smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1/C(=C/c2ccc(Br)s2)SC(=S)N1Cc1ccon1 ZINC000178018509 837550913 /nfs/dbraw/zinc/55/09/13/837550913.db2.gz BBGFVPOXMWBOBW-UITAMQMPSA-N 0 0 387.305 3.900 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1csc(Cc2ccccc2F)n1 ZINC000173200323 837597209 /nfs/dbraw/zinc/59/72/09/837597209.db2.gz IBFSTHGVYYBDGY-UHFFFAOYSA-N 0 0 397.475 3.978 20 10 GHCDRN CCC(=O)N1CC[C@H](NC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)C1 ZINC000255083954 837705848 /nfs/dbraw/zinc/70/58/48/837705848.db2.gz KKNYQBAWBXRTMM-KRWDZBQOSA-N 0 0 393.491 3.909 20 10 GHCDRN CCc1nn(C)c(CC)c1CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000163702350 837721282 /nfs/dbraw/zinc/72/12/82/837721282.db2.gz HROAVKALKCJLOC-UHFFFAOYSA-N 0 0 396.491 3.756 20 10 GHCDRN COc1ccc(N2CCCN(Cc3noc(-c4ccccc4C)n3)CC2)cc1 ZINC000178074215 837765631 /nfs/dbraw/zinc/76/56/31/837765631.db2.gz BYQZMEBQWXSKDJ-UHFFFAOYSA-N 0 0 378.476 3.766 20 10 GHCDRN CN(C)c1ccc(CNC(=O)CSc2nc3ccccc3n2C(F)F)cc1 ZINC000198949039 834894778 /nfs/dbraw/zinc/89/47/78/834894778.db2.gz IICVZWWVKFBFCK-UHFFFAOYSA-N 0 0 390.459 3.906 20 10 GHCDRN Cc1ccc(Cc2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)s1 ZINC000685403974 834985765 /nfs/dbraw/zinc/98/57/65/834985765.db2.gz VVBVFRLVKAOYER-UHFFFAOYSA-N 0 0 381.482 3.913 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000065697293 835056925 /nfs/dbraw/zinc/05/69/25/835056925.db2.gz UWQOUDIEBDDSCU-UHFFFAOYSA-N 0 0 399.535 3.934 20 10 GHCDRN C[C@@H](NC(=O)N(Cc1ccccc1)C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000065698521 835057466 /nfs/dbraw/zinc/05/74/66/835057466.db2.gz CIHHDTQLJZPYOR-GOSISDBHSA-N 0 0 379.504 3.958 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N3CC[C@@H](OCCC(C)C)C3)CC2)cc1 ZINC000175747191 835163088 /nfs/dbraw/zinc/16/30/88/835163088.db2.gz PLNCXPFHEMVGBP-OAQYLSRUSA-N 0 0 389.540 3.511 20 10 GHCDRN Cc1ccccc1-c1nnc(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)o1 ZINC000008211592 835169645 /nfs/dbraw/zinc/16/96/45/835169645.db2.gz MGQGGOGCDOEIMF-UHFFFAOYSA-N 0 0 396.516 3.862 20 10 GHCDRN COc1c([O-])c(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000278510983 835272210 /nfs/dbraw/zinc/27/22/10/835272210.db2.gz PXHBLOFEOYEBGX-WMLDXEAASA-N 0 0 378.812 3.582 20 10 GHCDRN CCOc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1OCC ZINC000278571939 835439986 /nfs/dbraw/zinc/43/99/86/835439986.db2.gz CYHRHTSQVONGHH-CYBMUJFWSA-N 0 0 390.436 3.957 20 10 GHCDRN COc1cccc(CNC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)c1O ZINC000179358645 835543865 /nfs/dbraw/zinc/54/38/65/835543865.db2.gz OZGMOOCWYVOIFY-UHFFFAOYSA-N 0 0 376.412 3.583 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2cc([C@H]3CCCO3)nn2C)cc1F ZINC000278627335 835593095 /nfs/dbraw/zinc/59/30/95/835593095.db2.gz BFYXZWJPKUTMDF-GOSISDBHSA-N 0 0 389.475 3.579 20 10 GHCDRN CC(C)C(=O)Nc1cccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000133967423 835667013 /nfs/dbraw/zinc/66/70/13/835667013.db2.gz BRLJAHCGYXVRHB-UHFFFAOYSA-N 0 0 378.476 3.979 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)NCCn3ccnc3C(C)C)ccc21 ZINC000728603706 835749790 /nfs/dbraw/zinc/74/97/90/835749790.db2.gz JBZUPLCADBTLKZ-UHFFFAOYSA-N 0 0 382.508 3.654 20 10 GHCDRN O=C(NCC[C@H]1CNc2ccccc21)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000892374151 835781295 /nfs/dbraw/zinc/78/12/95/835781295.db2.gz AVCRTJDYUFVIHB-PKOBYXMFSA-N 0 0 395.503 3.682 20 10 GHCDRN O=C(CSc1nccs1)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000052914284 835798745 /nfs/dbraw/zinc/79/87/45/835798745.db2.gz DCHADUNXEMQEPD-NSHDSACASA-N 0 0 387.408 3.542 20 10 GHCDRN CSc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1Cl ZINC000176830660 835924850 /nfs/dbraw/zinc/92/48/50/835924850.db2.gz ZSHNPCGORGJOEU-UHFFFAOYSA-N 0 0 395.887 3.522 20 10 GHCDRN C[C@@H](Sc1ncc(C(C)(C)C)s1)C(=O)N1CCN(c2ccccn2)CC1 ZINC000177125851 836000884 /nfs/dbraw/zinc/00/08/84/836000884.db2.gz WQIZQRXHEKXFDT-CQSZACIVSA-N 0 0 390.578 3.665 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000471229050 836038115 /nfs/dbraw/zinc/03/81/15/836038115.db2.gz ZNJOJFCGPJVNCT-SFHVURJKSA-N 0 0 398.551 3.571 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)cc1F ZINC000177272284 836226003 /nfs/dbraw/zinc/22/60/03/836226003.db2.gz ZQTLRMNLSGNFEZ-UHFFFAOYSA-N 0 0 387.436 3.513 20 10 GHCDRN COc1ccc(N2CCN(C(=O)C[C@H](C)c3ccccc3OC)CC2)cc1F ZINC000177275448 836237410 /nfs/dbraw/zinc/23/74/10/836237410.db2.gz RBKVWUYJTOSRNV-INIZCTEOSA-N 0 0 386.467 3.685 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccc(F)c(CSC)c3)CC2)cc1F ZINC000177289000 836260915 /nfs/dbraw/zinc/26/09/15/836260915.db2.gz SOWVHBSDXHXSRY-UHFFFAOYSA-N 0 0 392.471 3.799 20 10 GHCDRN COc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3c3cc(F)ccc3F)CC2)cc1F ZINC000177284618 836266900 /nfs/dbraw/zinc/26/69/00/836266900.db2.gz MJBQQNJOXODGQZ-WBVHZDCISA-N 0 0 390.405 3.565 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cccn(Cc2ccccc2)c1=O ZINC000547772730 836333738 /nfs/dbraw/zinc/33/37/38/836333738.db2.gz AYBQWXCDQCMLPY-UHFFFAOYSA-N 0 0 385.467 3.627 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000028333141 844169965 /nfs/dbraw/zinc/16/99/65/844169965.db2.gz ATECQJHABKRIJL-IBGZPJMESA-N 0 0 397.544 3.659 20 10 GHCDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NCc1cccc(Cl)c1O ZINC000890760677 836705259 /nfs/dbraw/zinc/70/52/59/836705259.db2.gz VVFDFPWBUBEOEU-VIFPVBQESA-N 0 0 389.805 3.841 20 10 GHCDRN CC(C)(C)SCCCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000155319219 836796870 /nfs/dbraw/zinc/79/68/70/836796870.db2.gz GJZOWFFGYCBIBS-UHFFFAOYSA-N 0 0 378.582 3.823 20 10 GHCDRN COCCOc1ccc(F)cc1NC(=O)NCc1c(C)c2ccccc2n1C ZINC000471283615 836885783 /nfs/dbraw/zinc/88/57/83/836885783.db2.gz QLUXHGQIGJWHBQ-UHFFFAOYSA-N 0 0 385.439 3.973 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000728949759 844232461 /nfs/dbraw/zinc/23/24/61/844232461.db2.gz CFVMTEYAZFVBCN-HUUCEWRRSA-N 0 0 397.475 3.649 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)c3cc(C)n(C)c3C)ccc21 ZINC000728637696 837219526 /nfs/dbraw/zinc/21/95/26/837219526.db2.gz DUQQXEODCIZLBD-UHFFFAOYSA-N 0 0 396.487 3.900 20 10 GHCDRN O=C(NCCCSc1nccs1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000177851215 837293759 /nfs/dbraw/zinc/29/37/59/837293759.db2.gz ZVPHQZOUTGHWMP-HNNXBMFYSA-N 0 0 381.498 3.548 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000047393341 844278906 /nfs/dbraw/zinc/27/89/06/844278906.db2.gz XFPFRKFDTZUTJV-UHFFFAOYSA-N 0 0 398.488 3.502 20 10 GHCDRN Cc1nc(Br)ccc1NC(=O)NCCCSc1nccs1 ZINC000181344938 837987240 /nfs/dbraw/zinc/98/72/40/837987240.db2.gz IBNLNMZBCVLFGJ-UHFFFAOYSA-N 0 0 387.328 3.913 20 10 GHCDRN CC(C)[C@@H](CC(F)(F)F)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000782949044 838504021 /nfs/dbraw/zinc/50/40/21/838504021.db2.gz HWQOLFDMFRJVGK-RHSMWYFYSA-N 0 0 387.446 3.860 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(N(C)C(C)=O)nc3)ccc21 ZINC000416094779 838536409 /nfs/dbraw/zinc/53/64/09/838536409.db2.gz MMEGZUPEJZHSAD-UHFFFAOYSA-N 0 0 394.475 3.535 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)COc2ccc(Br)cc2)cc1 ZINC000018150483 838689741 /nfs/dbraw/zinc/68/97/41/838689741.db2.gz DOWFOAOXKSWOGL-UHFFFAOYSA-N 0 0 377.282 3.553 20 10 GHCDRN COc1cccc(CNC(=O)N[C@@H](C)Cc2ccccc2C(F)(F)F)c1O ZINC000181889094 838918097 /nfs/dbraw/zinc/91/80/97/838918097.db2.gz JLXKXVLSGDNUBR-LBPRGKRZSA-N 0 0 382.382 3.850 20 10 GHCDRN Cc1cc(C(=O)NCc2ccc3c(c2)OCCCO3)c(C)n1-c1ccccn1 ZINC000066774790 839083803 /nfs/dbraw/zinc/08/38/03/839083803.db2.gz NSZNXSKOEKBUEK-UHFFFAOYSA-N 0 0 377.444 3.580 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)NCCCCn2ccnc2C)CCCC1 ZINC000651380262 839168893 /nfs/dbraw/zinc/16/88/93/839168893.db2.gz JDFIHXGBRJAXAN-UHFFFAOYSA-N 0 0 394.519 3.630 20 10 GHCDRN O=C(/C=C\c1ccc(Cl)s1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000255194582 839275927 /nfs/dbraw/zinc/27/59/27/839275927.db2.gz YVPJLXDODASZEE-UTCJRWHESA-N 0 0 394.899 3.831 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1 ZINC000155668886 839278346 /nfs/dbraw/zinc/27/83/46/839278346.db2.gz ZJGANBFIZVSJOP-WIYYLYMNSA-N 0 0 383.536 3.839 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000183463882 839310684 /nfs/dbraw/zinc/31/06/84/839310684.db2.gz JXQJERCYXNWZDQ-ZDUSSCGKSA-N 0 0 396.468 3.773 20 10 GHCDRN CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000378546513 839314519 /nfs/dbraw/zinc/31/45/19/839314519.db2.gz WJTSUNNKATVALK-VZUCSPMQSA-N 0 0 396.418 3.996 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1SC(F)(F)F ZINC000122360050 839416970 /nfs/dbraw/zinc/41/69/70/839416970.db2.gz RCAFLZIBAFTBFX-UHFFFAOYSA-N 0 0 384.379 3.601 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1nc(CC(C)(C)C)cs1 ZINC000472776505 839582126 /nfs/dbraw/zinc/58/21/26/839582126.db2.gz JJPUAQXJXXDMQN-UHFFFAOYSA-N 0 0 398.532 3.787 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc(-n2cccn2)cc1 ZINC000122465886 839605051 /nfs/dbraw/zinc/60/50/51/839605051.db2.gz VTWPCFCSNQIICC-UHFFFAOYSA-N 0 0 393.516 3.747 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cc(C)nc3c2c(C)nn3C)cc1 ZINC000024487412 839607617 /nfs/dbraw/zinc/60/76/17/839607617.db2.gz CPZHIVKHJDVDDP-UHFFFAOYSA-N 0 0 379.508 3.704 20 10 GHCDRN CCSCc1cccc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000472780931 839611884 /nfs/dbraw/zinc/61/18/84/839611884.db2.gz ARUFAVAHYLLJJM-UHFFFAOYSA-N 0 0 395.528 3.995 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1nnc(-c2ccccc2)o1 ZINC000053662249 839629766 /nfs/dbraw/zinc/62/97/66/839629766.db2.gz DHKQEVCDSIYAFI-UHFFFAOYSA-N 0 0 378.476 3.784 20 10 GHCDRN Cc1cc(C(=O)N(C)Cc2ccccc2O)c2cnn(Cc3cccs3)c2n1 ZINC000108243754 844469563 /nfs/dbraw/zinc/46/95/63/844469563.db2.gz PNZXCFFXQOJHSW-UHFFFAOYSA-N 0 0 392.484 3.827 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1cc(C)cc2cccnc21 ZINC000472813306 839827008 /nfs/dbraw/zinc/82/70/08/839827008.db2.gz VUCJXNVGQCZLNO-UHFFFAOYSA-N 0 0 386.455 3.598 20 10 GHCDRN CSCc1ccccc1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472812543 839830539 /nfs/dbraw/zinc/83/05/39/839830539.db2.gz UORLUUOHHSXLEJ-UHFFFAOYSA-N 0 0 381.501 3.605 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2nc3ccccc3n2C2CC2)c1 ZINC000185236227 840172463 /nfs/dbraw/zinc/17/24/63/840172463.db2.gz CLNLRNBQINRSJO-ZDUSSCGKSA-N 0 0 380.448 3.646 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@H]1Cc1ccccc1 ZINC000122974180 840243550 /nfs/dbraw/zinc/24/35/50/840243550.db2.gz FNIPOCPBZAYWLD-FQEVSTJZSA-N 0 0 397.494 3.579 20 10 GHCDRN COc1cccc(/C(C)=C\C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000255229033 840276508 /nfs/dbraw/zinc/27/65/08/840276508.db2.gz KEQBWANCMIUPQH-JXAWBTAJSA-N 0 0 394.515 3.624 20 10 GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC001167742003 840538646 /nfs/dbraw/zinc/53/86/46/840538646.db2.gz VWQNCTUZQIPVAE-QUCCMNQESA-N 0 0 389.879 3.941 20 10 GHCDRN COc1ccc(N2CCCN([C@H](C)C(=O)c3[nH]c(C)c(C(C)=O)c3C)CC2)cc1 ZINC000053773966 840721199 /nfs/dbraw/zinc/72/11/99/840721199.db2.gz YBJIICITQUZKHA-QGZVFWFLSA-N 0 0 397.519 3.626 20 10 GHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cnn(CC3CC3)c2)cc1 ZINC001125963068 840797008 /nfs/dbraw/zinc/79/70/08/840797008.db2.gz KAXPWBDGEYVDTO-UHFFFAOYSA-N 0 0 380.414 3.564 20 10 GHCDRN C[C@@H]1CN(c2ccc(NC(=O)/C=C\c3ccc(O)c(O)c3)cc2F)C[C@H](C)O1 ZINC000588403362 840934295 /nfs/dbraw/zinc/93/42/95/840934295.db2.gz FXUFJMUTEJHLPB-DACCUQLDSA-N 0 0 386.423 3.502 20 10 GHCDRN C[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cncs1 ZINC000893311435 840973525 /nfs/dbraw/zinc/97/35/25/840973525.db2.gz WWLBHPVSHGYRRP-QWHCGFSZSA-N 0 0 396.463 3.774 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)CSCc2c(C)noc2C)cc1F ZINC000066841430 841022806 /nfs/dbraw/zinc/02/28/06/841022806.db2.gz BLPXULHAYIGEJC-UHFFFAOYSA-N 0 0 379.501 3.826 20 10 GHCDRN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)/C=C\c3ccc(O)c(O)c3)cc2)n1 ZINC000588405742 841023960 /nfs/dbraw/zinc/02/39/60/841023960.db2.gz OEUSQAXJFMFURR-XKGFZTIGSA-N 0 0 377.444 3.791 20 10 GHCDRN CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000581316662 841066736 /nfs/dbraw/zinc/06/67/36/841066736.db2.gz JMWQALMJOPIJKL-UHFFFAOYSA-N 0 0 397.906 3.805 20 10 GHCDRN Oc1ccc(C[C@H](O)c2nc(-c3cc(F)ccc3C(F)(F)F)no2)cc1O ZINC001211665481 841600555 /nfs/dbraw/zinc/60/05/55/841600555.db2.gz SXTLRWGTSXOOHG-AWEZNQCLSA-N 0 0 384.285 3.582 20 10 GHCDRN CCN(C(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O)c1cc(C)cc(C)c1 ZINC000123173200 841639770 /nfs/dbraw/zinc/63/97/70/841639770.db2.gz IOPLQTLINDQZRN-BQYQJAHWSA-N 0 0 378.476 3.989 20 10 GHCDRN Oc1ccc(C[C@H](O)c2nc(-c3ccc(Oc4ccccc4)nc3)no2)cc1O ZINC001211667838 841728504 /nfs/dbraw/zinc/72/85/04/841728504.db2.gz FVEBDGQUUWVJRQ-SFHVURJKSA-N 0 0 391.383 3.611 20 10 GHCDRN Cc1cc(CC(=O)NC[C@H](O)[C@@H](C)c2ccccc2)c(C)n1-c1ccccc1 ZINC001167781078 841958059 /nfs/dbraw/zinc/95/80/59/841958059.db2.gz HOLKDBZOUBBTHP-MBSDFSHPSA-N 0 0 376.500 3.917 20 10 GHCDRN Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc(C)c1OC(F)F ZINC000730772164 861268989 /nfs/dbraw/zinc/26/89/89/861268989.db2.gz JQALXDPKEYNQSO-UHFFFAOYSA-N 0 0 390.430 3.671 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2csc(Br)n2)C1 ZINC001137583174 842102249 /nfs/dbraw/zinc/10/22/49/842102249.db2.gz QRVLVLTTZKHNFC-UHFFFAOYSA-N 0 0 392.322 3.964 20 10 GHCDRN O=C([C@H]1CC12CC[NH+](Cc1c([O-])ccc(Cl)c1F)CC2)N1CCCCC1 ZINC000365254999 842153336 /nfs/dbraw/zinc/15/33/36/842153336.db2.gz JYXBPHTVYWOXKZ-OAHLLOKOSA-N 0 0 380.891 3.799 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NCC[C@@H]3CNc4ccccc43)CC2)cc1 ZINC000891488956 842186684 /nfs/dbraw/zinc/18/66/84/842186684.db2.gz OPMVWEPNLZQSPY-QGZVFWFLSA-N 0 0 394.519 3.563 20 10 GHCDRN CCCc1ccc(N2C[C@@H](C(=O)NCc3ccc(N(C)C)c(F)c3)CC2=O)cc1 ZINC001125534506 842198214 /nfs/dbraw/zinc/19/82/14/842198214.db2.gz JWDHYUUJYSUEIR-SFHVURJKSA-N 0 0 397.494 3.514 20 10 GHCDRN Cc1cc(C(=O)N2CCc3ccccc3[C@@H]2C(N)=O)c(C)n1-c1cccc(C)c1 ZINC000730793470 861285258 /nfs/dbraw/zinc/28/52/58/861285258.db2.gz LYJCCGOKJRLFAC-JOCHJYFZSA-N 0 0 387.483 3.627 20 10 GHCDRN COc1ccc(-c2noc([C@@H](O)c3ccc(N(C)C)cc3)n2)c(Cl)c1OC ZINC001211701249 842667505 /nfs/dbraw/zinc/66/75/05/842667505.db2.gz PDCANLWETCNRLV-INIZCTEOSA-N 0 0 389.839 3.555 20 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C[C@H](NC(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000770722469 874832223 /nfs/dbraw/zinc/83/22/23/874832223.db2.gz RSUSELQTFZAAFM-PXNSSMCTSA-N 0 0 395.503 3.589 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)c1cccc(C(F)(F)F)n1 ZINC000867303119 874836468 /nfs/dbraw/zinc/83/64/68/874836468.db2.gz ZJEBVJZLXJWDKZ-LLVKDONJSA-N 0 0 382.382 3.537 20 10 GHCDRN Cc1ncsc1/C=C\C(=O)N1CCN(C)c2cc(Br)ccc21 ZINC000804440221 882878108 /nfs/dbraw/zinc/87/81/08/882878108.db2.gz ANGXUQZUAIDRQM-WAYWQWQTSA-N 0 0 378.295 3.710 20 10 GHCDRN CCS(=O)(=O)c1c(Cl)cccc1CN(C)c1ccc(OC)c(OC)c1 ZINC000775978671 875005011 /nfs/dbraw/zinc/00/50/11/875005011.db2.gz NJOQCUWUICQNIQ-UHFFFAOYSA-N 0 0 383.897 3.787 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@]1(C)Cc2ccccc2C(=O)O1 ZINC000105052052 875021440 /nfs/dbraw/zinc/02/14/40/875021440.db2.gz FUMJNSPCLKSPQZ-DEOSSOPVSA-N 0 0 392.499 3.807 20 10 GHCDRN Cc1cc(C(=O)N(Cc2ccccc2)CC(C)(C)O)c(C)n1-c1ccccn1 ZINC000775972162 875022133 /nfs/dbraw/zinc/02/21/33/875022133.db2.gz IEHOKYCYFFLJDX-UHFFFAOYSA-N 0 0 377.488 3.902 20 10 GHCDRN COc1ccc(C(=O)N2CCCC2)cc1NCc1cc(F)c(N(C)C)cc1F ZINC000858151791 882889951 /nfs/dbraw/zinc/88/99/51/882889951.db2.gz RASVVKCNVPVUTM-UHFFFAOYSA-N 0 0 389.446 3.888 20 10 GHCDRN CN(C)c1ccc(CNC(=O)Cc2cc(F)ccc2Br)cc1F ZINC000771254661 875143486 /nfs/dbraw/zinc/14/34/86/875143486.db2.gz HQHIYBAONDCSFX-UHFFFAOYSA-N 0 0 383.236 3.652 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000528862223 875167152 /nfs/dbraw/zinc/16/71/52/875167152.db2.gz MQQXROYGSWQALG-CQSZACIVSA-N 0 0 393.409 3.680 20 10 GHCDRN COCCOc1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c(Cl)c1 ZINC000771419081 875227293 /nfs/dbraw/zinc/22/72/93/875227293.db2.gz VIVCUXDSEBMFEA-LBPRGKRZSA-N 0 0 379.840 3.570 20 10 GHCDRN COc1ccc(N2CCN(C(=S)Nc3ccc(F)cc3F)CC2)c(OC)c1 ZINC001200928218 875399612 /nfs/dbraw/zinc/39/96/12/875399612.db2.gz QGUYDRCUBDNKAP-UHFFFAOYSA-N 0 0 393.459 3.501 20 10 GHCDRN COc1ccc(Cl)cc1NC(=O)CC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001200950077 875435355 /nfs/dbraw/zinc/43/53/55/875435355.db2.gz FYTMMYXVMKMANG-UHFFFAOYSA-N 0 0 387.238 3.965 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2ncc3c(n2)CCC3)c1 ZINC001299203187 882930553 /nfs/dbraw/zinc/93/05/53/882930553.db2.gz HPFHFCWPHNWCFD-UHFFFAOYSA-N 0 0 380.879 3.956 20 10 GHCDRN CN(C)c1ccc(CN(CC(=O)Nc2ccnn2C2CCCC2)C2CC2)cc1 ZINC000771792259 875462306 /nfs/dbraw/zinc/46/23/06/875462306.db2.gz XZILVBSCOHFOND-UHFFFAOYSA-N 0 0 381.524 3.667 20 10 GHCDRN COc1ccc(N2CCN(C(=O)[C@@H](C)c3cn(C)c4ccccc34)CC2)cc1 ZINC000771867547 875505572 /nfs/dbraw/zinc/50/55/72/875505572.db2.gz KWPUKRUNRHOXAD-KRWDZBQOSA-N 0 0 377.488 3.639 20 10 GHCDRN C[C@@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1noc(Cc2ccccc2)n1 ZINC000776160878 875656838 /nfs/dbraw/zinc/65/68/38/875656838.db2.gz TWBJHUOJVSFRJQ-HZPDHXFCSA-N 0 0 393.491 3.848 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc(C)nn1Cc1ccccn1 ZINC001201387627 875669838 /nfs/dbraw/zinc/66/98/38/875669838.db2.gz SVKASWDQEDIXEQ-UHFFFAOYSA-N 0 0 379.464 3.785 20 10 GHCDRN COc1ccc([C@H](OC)[C@@H](C)NC(=O)N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000772072906 875692787 /nfs/dbraw/zinc/69/27/87/875692787.db2.gz FCPDBNXUAVXRMR-ARGWCVDVSA-N 0 0 388.464 3.546 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cccc(-c3nnnn3C(C)C)c2)c1 ZINC000529148464 875695069 /nfs/dbraw/zinc/69/50/69/875695069.db2.gz DZJNJGXUDFMESU-ZDUSSCGKSA-N 0 0 396.451 3.518 20 10 GHCDRN Cc1cncc(/C=C/C(=O)N(CC(=O)OC(C)(C)C)c2ccc3c(c2)OCO3)c1 ZINC000772148047 875745384 /nfs/dbraw/zinc/74/53/84/875745384.db2.gz BFZQWKOFEMRUDD-VMPITWQZSA-N 0 0 396.443 3.507 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCc1ccc(OCc2ccccc2F)nc1 ZINC000772206197 875769696 /nfs/dbraw/zinc/76/96/96/875769696.db2.gz FJTGVSIQHAJUQK-YFHOEESVSA-N 0 0 395.386 3.968 20 10 GHCDRN O=S(=O)(Nc1ccc(O)c(F)c1F)c1ccc(Oc2ccncc2)cc1 ZINC001201617478 875793090 /nfs/dbraw/zinc/79/30/90/875793090.db2.gz QRNFQPPVXRBJFO-UHFFFAOYSA-N 0 0 378.356 3.659 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3c(Cl)n(C)nc3C(C)C)CC2)cc1 ZINC000151804863 875945997 /nfs/dbraw/zinc/94/59/97/875945997.db2.gz DBKKWULLWPPMFM-UHFFFAOYSA-N 0 0 390.915 3.558 20 10 GHCDRN COc1ccc([C@H](OC)[C@H](C)NC(=O)NCCCSc2nccs2)cc1 ZINC000772515133 875993075 /nfs/dbraw/zinc/99/30/75/875993075.db2.gz KJVMDOYBHIBQFW-XJKSGUPXSA-N 0 0 395.550 3.709 20 10 GHCDRN CC[C@H](C)[C@H](NC(=O)N1CCCN(c2ccc(OC)cc2)CC1)C(F)(F)F ZINC000772522240 875994317 /nfs/dbraw/zinc/99/43/17/875994317.db2.gz GLTYANPPLPFSDF-YOEHRIQHSA-N 0 0 387.446 3.894 20 10 GHCDRN COc1cccc(CNC(=O)N[C@H]2CCCC[C@H]2Oc2cccc(C)c2)c1O ZINC000772627762 876041358 /nfs/dbraw/zinc/04/13/58/876041358.db2.gz XTBVAULOXFBOSB-RBUKOAKNSA-N 0 0 384.476 3.899 20 10 GHCDRN CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000776257642 876051420 /nfs/dbraw/zinc/05/14/20/876051420.db2.gz ZLYSCUIDTUASLH-TVQRCGJNSA-N 0 0 393.119 3.822 20 10 GHCDRN COCCOc1ccc(N2CCN(C(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC001202203361 876059453 /nfs/dbraw/zinc/05/94/53/876059453.db2.gz DXECGSKIGGGUNB-UHFFFAOYSA-N 0 0 383.492 3.683 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3ccc(SC)cc3OC)CC2)cc1 ZINC000772655061 876066886 /nfs/dbraw/zinc/06/68/86/876066886.db2.gz DGQZHBLGAGBNLM-UHFFFAOYSA-N 0 0 387.505 3.780 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)NCc2nccn2CCCc2ccccc2)c1 ZINC000858273921 882996432 /nfs/dbraw/zinc/99/64/32/882996432.db2.gz RCZBEVJWQOYYNO-UHFFFAOYSA-N 0 0 378.476 3.529 20 10 GHCDRN O=C(N[C@@H]1CCc2ccc(F)cc21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000106577108 876150501 /nfs/dbraw/zinc/15/05/01/876150501.db2.gz XKLIPDOIQSJVGI-AZUAARDMSA-N 0 0 384.451 3.909 20 10 GHCDRN COc1ncc(/C=C\C(=O)N(Cc2csc(C)n2)c2ccc(F)cc2)cn1 ZINC000776303100 876227414 /nfs/dbraw/zinc/22/74/14/876227414.db2.gz COLSVEOSWQNUGE-BAQGIRSFSA-N 0 0 384.436 3.636 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@]1(O)CCc2ccccc2C1 ZINC000785752589 876227573 /nfs/dbraw/zinc/22/75/73/876227573.db2.gz HQRSFVRJYNROAL-DEOSSOPVSA-N 0 0 378.516 3.555 20 10 GHCDRN COC(=O)[C@](C)(NCc1ccc(N(C)C)cc1)c1cccc(Br)c1 ZINC000785753044 876227652 /nfs/dbraw/zinc/22/76/52/876227652.db2.gz KMZJWZKIIUTXLR-LJQANCHMSA-N 0 0 391.309 3.693 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000776325236 876274189 /nfs/dbraw/zinc/27/41/89/876274189.db2.gz SPPOIWBCCOSZBC-LJQANCHMSA-N 0 0 396.922 3.794 20 10 GHCDRN COc1ncc(/C=C/C(=O)N2CCSc3ccc(C(F)(F)F)cc32)cn1 ZINC000776326757 876275070 /nfs/dbraw/zinc/27/50/70/876275070.db2.gz BDDQTJNVONVOGI-GORDUTHDSA-N 0 0 381.379 3.656 20 10 GHCDRN CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](Oc3ncccc3F)C2)c1O ZINC000785838657 876275912 /nfs/dbraw/zinc/27/59/12/876275912.db2.gz BTOSRBYKPPQPDX-OAHLLOKOSA-N 0 0 378.831 3.826 20 10 GHCDRN C[C@H](NC(=O)CSC(=S)N1CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC000776405390 876401557 /nfs/dbraw/zinc/40/15/57/876401557.db2.gz NVHJJEJXYITYKM-HNNXBMFYSA-N 0 0 379.595 3.680 20 10 GHCDRN C[C@@H](Cc1ccccc1)NC(=S)NCc1ccc(N2CCSCC2)cc1 ZINC000786062664 876407833 /nfs/dbraw/zinc/40/78/33/876407833.db2.gz RFZKPCONGZDBNY-KRWDZBQOSA-N 0 0 385.602 3.835 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)CCCn2c3ccccc3oc2=O)C2CC2)cc1 ZINC000914436871 883028963 /nfs/dbraw/zinc/02/89/63/883028963.db2.gz CZCCZLDQGBVLCW-UHFFFAOYSA-N 0 0 393.487 3.632 20 10 GHCDRN CC(=O)c1cccc(OCC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000108294458 876451166 /nfs/dbraw/zinc/45/11/66/876451166.db2.gz TVTLSNNSXHOHDB-UHFFFAOYSA-N 0 0 380.488 3.821 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)C[C@@H]3c4ccccc4NC3=O)cc2)CC1 ZINC000108295964 876452701 /nfs/dbraw/zinc/45/27/01/876452701.db2.gz BBDCHSTWXYBNCF-HXUWFJFHSA-N 0 0 377.488 3.665 20 10 GHCDRN C[C@H](NC(=O)NCc1cccc2cc[nH]c21)c1ccc(N2CCOCC2)cc1 ZINC000786113111 876454576 /nfs/dbraw/zinc/45/45/76/876454576.db2.gz ONRDQCCZSRYWTB-INIZCTEOSA-N 0 0 378.476 3.565 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)Nc3ccc4c(c3)OCC(=O)N4)cc2)CC1 ZINC000108506604 876481969 /nfs/dbraw/zinc/48/19/69/876481969.db2.gz WCBXOZPRWPBYDU-UHFFFAOYSA-N 0 0 394.475 3.576 20 10 GHCDRN CCCO[C@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000108557728 876487279 /nfs/dbraw/zinc/48/72/79/876487279.db2.gz BZYJSZLFJBALOU-FQEVSTJZSA-N 0 0 391.581 3.731 20 10 GHCDRN COC(=O)c1c[nH]c(SCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)n1 ZINC000776434566 876488796 /nfs/dbraw/zinc/48/87/96/876488796.db2.gz VYJRXNIRMFDNMI-UHFFFAOYSA-N 0 0 387.436 3.718 20 10 GHCDRN CC1CCN(c2cccc(NC(=O)c3ccc(F)c(S(C)(=O)=O)c3)c2)CC1 ZINC000786211102 876532108 /nfs/dbraw/zinc/53/21/08/876532108.db2.gz BLPVJNOZZIRGGX-UHFFFAOYSA-N 0 0 390.480 3.718 20 10 GHCDRN O=C(CSc1ncc(Cl)s1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000849998440 876583957 /nfs/dbraw/zinc/58/39/57/876583957.db2.gz FWIBQUHBCQEVTA-UHFFFAOYSA-N 0 0 395.937 3.766 20 10 GHCDRN NC(=O)[C@H]1CCCN(c2ccc(CNc3cnc4cc(Cl)ccc4n3)cc2)C1 ZINC000858357753 883045242 /nfs/dbraw/zinc/04/52/42/883045242.db2.gz VYGQXAKKLXVBEM-HNNXBMFYSA-N 0 0 395.894 3.597 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C[C@H](NC(N)=O)c2cccc(C)c2)cc1 ZINC000914445775 883060103 /nfs/dbraw/zinc/06/01/03/883060103.db2.gz DCUPKHSZCWTADW-NRFANRHFSA-N 0 0 396.535 3.599 20 10 GHCDRN Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000786581938 876769779 /nfs/dbraw/zinc/76/97/79/876769779.db2.gz JQQSXPSAYHZZTJ-IUODEOHRSA-N 0 0 382.273 3.856 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNCc3nnn(C(C)(C)C)n3)cc2Cl)C1 ZINC000850285190 876781031 /nfs/dbraw/zinc/78/10/31/876781031.db2.gz PHWQURHZRHFNET-AWEZNQCLSA-N 0 0 376.936 3.608 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(C)ccc2C(F)(F)F)c1 ZINC000850366128 876853706 /nfs/dbraw/zinc/85/37/06/876853706.db2.gz DGLDUXXDIORJQE-NSHDSACASA-N 0 0 396.365 3.544 20 10 GHCDRN CC(C)(C)c1cc(CNCc2nc(C(N)=O)cs2)c(O)c(C(C)(C)C)c1 ZINC000850383825 876869517 /nfs/dbraw/zinc/86/95/17/876869517.db2.gz KZSPMSMKZYYEOS-UHFFFAOYSA-N 0 0 375.538 3.832 20 10 GHCDRN C[C@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1cc(Br)cc(F)c1[O-] ZINC000850562710 877028007 /nfs/dbraw/zinc/02/80/07/877028007.db2.gz PENMRTYZQAXYMK-GTNSWQLSSA-N 0 0 390.293 3.512 20 10 GHCDRN O=C(NCCO[C@@H]1CC1(F)F)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000850624332 877076915 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CN(Cc1ccccc1O)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000787341025 877363189 /nfs/dbraw/zinc/36/31/89/877363189.db2.gz KHMSUEUMDQGUIB-UHFFFAOYSA-N 0 0 383.326 3.661 20 10 GHCDRN CC[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(Cl)c1 ZINC000787346169 877366013 /nfs/dbraw/zinc/36/60/13/877366013.db2.gz AQTHNGZLOKBWGM-FQEVSTJZSA-N 0 0 399.922 3.824 20 10 GHCDRN Cc1ccc(Cl)c(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)c1Cl ZINC000746702065 877544951 /nfs/dbraw/zinc/54/49/51/877544951.db2.gz GBDCULZKDMRDFI-UHFFFAOYSA-N 0 0 391.295 3.985 20 10 GHCDRN C[C@@H](NCc1ccn(-c2ccc(F)cc2)n1)c1ccc(N2CCOCC2)cc1 ZINC000179527340 877685502 /nfs/dbraw/zinc/68/55/02/877685502.db2.gz BGBXNWSYTRVOFR-QGZVFWFLSA-N 0 0 380.467 3.699 20 10 GHCDRN Cc1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c(O)c1O ZINC000110002833 877729011 /nfs/dbraw/zinc/72/90/11/877729011.db2.gz TUBGPYPQGJMVBA-JTQLQIEISA-N 0 0 398.242 3.747 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1F ZINC000746722213 877743277 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CCOc1ccc(O)c(CN2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000093865540 912481826 /nfs/dbraw/zinc/48/18/26/912481826.db2.gz MOCJACUKJFBJMI-IBGZPJMESA-N 0 0 379.403 3.966 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)C(=O)Nc1ccccc1 ZINC000112112021 879694784 /nfs/dbraw/zinc/69/47/84/879694784.db2.gz KSDDTFGBSLHPBZ-SFHVURJKSA-N 0 0 394.519 3.749 20 10 GHCDRN Cc1cc(CC(=O)NCC[C@@H]2C(=O)Nc3ccccc32)c(C)n1-c1ccccc1 ZINC000854290108 879698768 /nfs/dbraw/zinc/69/87/68/879698768.db2.gz SFADJOFWABZGKS-NRFANRHFSA-N 0 0 387.483 3.879 20 10 GHCDRN CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000854298731 879703418 /nfs/dbraw/zinc/70/34/18/879703418.db2.gz AQIPNGQPXCDQIC-HHXXYDBFSA-N 0 0 377.554 3.590 20 10 GHCDRN CON1CCC(CC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CC1 ZINC000854345348 879743442 /nfs/dbraw/zinc/74/34/42/879743442.db2.gz VZYQQJRXJLANJL-MRXNPFEDSA-N 0 0 393.959 3.856 20 10 GHCDRN COc1cc(Br)cc(CNc2cccc(N3CCC3=O)c2)c1O ZINC000790486456 879760450 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COc1ccc(N2CC[C@@H](NC(=O)c3ccccc3N3CCCCC3)C2)cc1 ZINC000855225367 880369869 /nfs/dbraw/zinc/36/98/69/880369869.db2.gz KJZSGJRLQUGQLQ-GOSISDBHSA-N 0 0 379.504 3.694 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)Cc3nc(-c4ccccc4)cs3)C2)cc1 ZINC000855227801 880371750 /nfs/dbraw/zinc/37/17/50/880371750.db2.gz ZEOICLHGCFAQMT-QGZVFWFLSA-N 0 0 393.512 3.756 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])C2)cc1 ZINC000855227990 880372247 /nfs/dbraw/zinc/37/22/47/880372247.db2.gz SRHMXKDQTJSYPW-CQSZACIVSA-N 0 0 389.839 3.574 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3c(C)nn(-c4ccccc4)c3C)C2)cc1 ZINC000855229013 880372833 /nfs/dbraw/zinc/37/28/33/880372833.db2.gz JARUNZMPKFPOGH-GOSISDBHSA-N 0 0 390.487 3.506 20 10 GHCDRN CCn1cc(CC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c2ccccc21 ZINC000855229766 880374156 /nfs/dbraw/zinc/37/41/56/880374156.db2.gz LYVNFATZJVOMLB-GOSISDBHSA-N 0 0 377.488 3.607 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)CSc3nc4ccccc4s3)C2)cc1 ZINC000855229307 880374320 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CCCN(Cc1ccccc1O)C(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000792226086 880990898 /nfs/dbraw/zinc/99/08/98/880990898.db2.gz OUXAYJSPHZCSHW-GOSISDBHSA-N 0 0 390.277 3.897 20 10 GHCDRN CCCCn1ncc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1C(C)C ZINC000792274634 881028974 /nfs/dbraw/zinc/02/89/74/881028974.db2.gz XVPATHRZZGXEFB-MRXNPFEDSA-N 0 0 399.539 3.689 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cc2c(cccc2F)s1 ZINC000856208860 881042842 /nfs/dbraw/zinc/04/28/42/881042842.db2.gz YATWYAVABGOAFX-UHFFFAOYSA-N 0 0 384.476 3.932 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1coc2ccc(Cl)cc12 ZINC000856209274 881043018 /nfs/dbraw/zinc/04/30/18/881043018.db2.gz KDVHHNUYANDMOB-UHFFFAOYSA-N 0 0 384.863 3.977 20 10 GHCDRN CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856210890 881044624 /nfs/dbraw/zinc/04/46/24/881044624.db2.gz ABAMXQZGJAPVCH-WTOYTKOKSA-N 0 0 388.552 3.638 20 10 GHCDRN C[C@@]1(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCCc2ccccc21 ZINC000856210595 881045022 /nfs/dbraw/zinc/04/50/22/881045022.db2.gz IYGAKNRVELKZGJ-XMMPIXPASA-N 0 0 378.516 3.558 20 10 GHCDRN CN(C(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1)c1ccc2cc[nH]c2c1 ZINC000792574318 881270637 /nfs/dbraw/zinc/27/06/37/881270637.db2.gz VFXCNTKCQKUYBG-HYARGMPZSA-N 0 0 396.450 3.997 20 10 GHCDRN Cc1cc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c(C)n1-c1ccccn1 ZINC000919966460 881298478 /nfs/dbraw/zinc/29/84/78/881298478.db2.gz UGOQNCAZZNKEGM-UHFFFAOYSA-N 0 0 398.507 3.618 20 10 GHCDRN CCOC(=O)c1csc(CNC(=O)c2cc(C)n(-c3ccccc3C)c2C)n1 ZINC000114357950 881300904 /nfs/dbraw/zinc/30/09/04/881300904.db2.gz FQIPOMXHVGVPMY-UHFFFAOYSA-N 0 0 397.500 3.966 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc2ccccc2s1 ZINC000919969523 881307123 /nfs/dbraw/zinc/30/71/23/881307123.db2.gz OUBPOMITJXSRSI-UHFFFAOYSA-N 0 0 384.476 3.932 20 10 GHCDRN CN(CCC1CC1)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000747201050 883125586 /nfs/dbraw/zinc/12/55/86/883125586.db2.gz OXABQWKXAZDKOA-QINSGFPZSA-N 0 0 394.587 3.988 20 10 GHCDRN CCC[C@H](NC(=O)C(=O)NCCCSc1nccs1)C1CCCCC1 ZINC000804616965 883151115 /nfs/dbraw/zinc/15/11/15/883151115.db2.gz REMGEUAQRWEVBE-HNNXBMFYSA-N 0 0 383.583 3.607 20 10 GHCDRN C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c(Cl)c1[O-] ZINC000858564949 883202131 /nfs/dbraw/zinc/20/21/31/883202131.db2.gz YFUGFSKFTQQPGE-SNVBAGLBSA-N 0 0 397.258 3.760 20 10 GHCDRN CO[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(Br)cc(Br)c2[O-])C1 ZINC000858584758 883215455 /nfs/dbraw/zinc/21/54/55/883215455.db2.gz WSXZJCCPGGOGFS-HGNGGELXSA-N 0 0 379.092 3.745 20 10 GHCDRN Cc1ccccc1N(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000729852866 883299351 /nfs/dbraw/zinc/29/93/51/883299351.db2.gz WBRYWJKZODJVQA-UHFFFAOYSA-N 0 0 399.510 3.502 20 10 GHCDRN C[C@@H](Oc1ccccc1Cl)C(=O)NCc1cc(Br)ccc1O ZINC000804739816 883299899 /nfs/dbraw/zinc/29/98/99/883299899.db2.gz UPEPCOIQRCZETM-SNVBAGLBSA-N 0 0 384.657 3.892 20 10 GHCDRN Cc1cc(C(=O)NCc2cc(Br)ccc2O)nn1[C@H](C)C1CC1 ZINC000804735273 883317450 /nfs/dbraw/zinc/31/74/50/883317450.db2.gz SJYYRKNKARRDTE-LLVKDONJSA-N 0 0 378.270 3.561 20 10 GHCDRN CC(C)(C)n1nc(C(=O)NCc2cc(Br)ccc2O)cc1C1CC1 ZINC000804735145 883317498 /nfs/dbraw/zinc/31/74/98/883317498.db2.gz MUSVSAUNLSAEEQ-UHFFFAOYSA-N 0 0 392.297 3.914 20 10 GHCDRN CCCc1c(C(=O)NCc2cc(Br)ccc2O)[nH]c(C)c1C(C)=O ZINC000804736204 883318698 /nfs/dbraw/zinc/31/86/98/883318698.db2.gz NESHECNJDHDKLX-UHFFFAOYSA-N 0 0 393.281 3.876 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)c1cc(O)ccc1C(F)(F)F ZINC000804735839 883318947 /nfs/dbraw/zinc/31/89/47/883318947.db2.gz JUFPBIORFBBNLN-UHFFFAOYSA-N 0 0 390.155 3.809 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)c1c[nH]nc1-c1ccccc1F ZINC000804737172 883321084 /nfs/dbraw/zinc/32/10/84/883321084.db2.gz KFZIRRNKJJFDRN-UHFFFAOYSA-N 0 0 390.212 3.614 20 10 GHCDRN CSc1ccc(O[C@H](C)C(=O)NCc2cc(Br)ccc2O)cc1 ZINC000804738061 883323227 /nfs/dbraw/zinc/32/32/27/883323227.db2.gz ASZRXTNTFOUDSP-LLVKDONJSA-N 0 0 396.306 3.960 20 10 GHCDRN COc1ccc(C[C@H](C)CN(C)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000761674610 883348386 /nfs/dbraw/zinc/34/83/86/883348386.db2.gz IYZNEPMLJHURMK-INIZCTEOSA-N 0 0 387.499 3.921 20 10 GHCDRN CC(C)Cc1ccccc1-c1noc(-c2cc(NS(C)(=O)=O)ccc2O)n1 ZINC000858811167 883372916 /nfs/dbraw/zinc/37/29/16/883372916.db2.gz WJGTWNJJVXXCBK-UHFFFAOYSA-N 0 0 387.461 3.679 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCCO[C@H](c2ccccc2)C1 ZINC000729856640 883388217 /nfs/dbraw/zinc/38/82/17/883388217.db2.gz DUXVXYRZOVNYBT-QFIPXVFZSA-N 0 0 379.504 3.960 20 10 GHCDRN COC(=O)c1cc(NCc2cc(Br)ccc2O)cc(C)c1[N+](=O)[O-] ZINC000804828255 883390064 /nfs/dbraw/zinc/39/00/64/883390064.db2.gz LTWYTOFEDGATFE-UHFFFAOYSA-N 0 0 395.209 3.770 20 10 GHCDRN Cc1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)c(C)n1-c1cnccn1 ZINC000858835938 883390692 /nfs/dbraw/zinc/39/06/92/883390692.db2.gz OGYYWTPCVQGEPU-UHFFFAOYSA-N 0 0 389.503 3.804 20 10 GHCDRN O=[N+]([O-])c1cccc2ncnc(NCc3cc(Br)ccc3O)c21 ZINC000804828386 883390884 /nfs/dbraw/zinc/39/08/84/883390884.db2.gz PBBBZUUTMLQACR-UHFFFAOYSA-N 0 0 375.182 3.618 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC(n3cccn3)CC2)cc1 ZINC000858845345 883397617 /nfs/dbraw/zinc/39/76/17/883397617.db2.gz HGBFFIFSIHRODI-UHFFFAOYSA-N 0 0 390.487 3.509 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@]1(C(=O)OC(C)(C)C)CC1(C)C ZINC001129974809 883398374 /nfs/dbraw/zinc/39/83/74/883398374.db2.gz SFDNXVWZRUFXFQ-HJPURHCSSA-N 0 0 388.552 3.866 20 10 GHCDRN Cc1cc(CNC(=O)N2C[C@@H](C)OC3(CCOCC3)C2)c(C)n1-c1ccccc1 ZINC000858906626 883447334 /nfs/dbraw/zinc/44/73/34/883447334.db2.gz YBTDHIXGJGTUAP-GOSISDBHSA-N 0 0 397.519 3.574 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)[C@@H]3CCc4ccc(OC)cc43)CC2)cc1 ZINC000761682114 883466868 /nfs/dbraw/zinc/46/68/68/883466868.db2.gz DSIQXEWJDWYGBZ-OAQYLSRUSA-N 0 0 380.488 3.519 20 10 GHCDRN CCOC1CC2(C1)CC[N@H+](Cc1c(O)ccc(C(=O)c3ccccc3)c1[O-])C2 ZINC000795721885 912711580 /nfs/dbraw/zinc/71/15/80/912711580.db2.gz XTXUAZJYILHTRC-UHFFFAOYSA-N 0 0 381.472 3.720 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCCC[C@H]2c2ncc[nH]2)c1 ZINC000858930941 883472669 /nfs/dbraw/zinc/47/26/69/883472669.db2.gz OQVCPWOVUKDYDE-FQEVSTJZSA-N 0 0 376.460 3.997 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)C(=O)N(C)[C@H]3CCC[C@@H](C)C3)cc2)CC1 ZINC000805022973 883537902 /nfs/dbraw/zinc/53/79/02/883537902.db2.gz KFAKACLQCJMJLC-NQIIRXRSSA-N 0 0 385.552 3.576 20 10 GHCDRN CC[C@@H]1CCC[C@H](NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000805024647 883539017 /nfs/dbraw/zinc/53/90/17/883539017.db2.gz KULHSNKVAGGMGB-QUCCMNQESA-N 0 0 385.552 3.624 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCCC(C)(C)C3)cc2)CC1 ZINC000805023459 883539025 /nfs/dbraw/zinc/53/90/25/883539025.db2.gz VPKFDGRLKRUAJG-IBGZPJMESA-N 0 0 385.552 3.624 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000914482034 883563992 /nfs/dbraw/zinc/56/39/92/883563992.db2.gz VEVFVPBEODJDRO-UHFFFAOYSA-N 0 0 385.489 3.944 20 10 GHCDRN C[C@H](NS(=O)(=O)Cc1cccc(Br)c1)c1ccc(N(C)C)cc1 ZINC000805066829 883572126 /nfs/dbraw/zinc/57/21/26/883572126.db2.gz AXWXSLKFSWJPPI-ZDUSSCGKSA-N 0 0 397.338 3.696 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3cccc([N+](=O)[O-])c3Cl)CC2)cc1 ZINC000859098098 883586794 /nfs/dbraw/zinc/58/67/94/883586794.db2.gz ZBGCLKFMVIGXNX-UHFFFAOYSA-N 0 0 389.839 3.656 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000859098899 883587542 /nfs/dbraw/zinc/58/75/42/883587542.db2.gz STGBRSPXAINCBP-PWRODBHTSA-N 0 0 398.453 3.959 20 10 GHCDRN CC[C@H](C)[C@@H](C)N(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000175335713 883627802 /nfs/dbraw/zinc/62/78/02/883627802.db2.gz JZAJKIHGFVSJLT-JKSUJKDBSA-N 0 0 377.504 3.771 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000186324292 883632346 /nfs/dbraw/zinc/63/23/46/883632346.db2.gz YDBMKELCYXFVAL-VBAWXRRRSA-N 0 0 377.799 3.504 20 10 GHCDRN CO[C@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCCCC1 ZINC001126658279 883665874 /nfs/dbraw/zinc/66/58/74/883665874.db2.gz REQULELELKBDCJ-LPHOPBHVSA-N 0 0 396.478 3.968 20 10 GHCDRN C[N@@H+]1CC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])[C@H]1c1ccccc1 ZINC000805235604 883679578 /nfs/dbraw/zinc/67/95/78/883679578.db2.gz DMUYOPSEYFJYQQ-DLBZAZTESA-N 0 0 394.302 3.944 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2Cc3ccccc3O2)cc1 ZINC000914491640 883680201 /nfs/dbraw/zinc/68/02/01/883680201.db2.gz NTTJIAMZVZDUSR-QFIPXVFZSA-N 0 0 376.456 3.878 20 10 GHCDRN Cc1cc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)n(C2CCOCC2)n1 ZINC000859283063 883715697 /nfs/dbraw/zinc/71/56/97/883715697.db2.gz FSELTTDNQRICHP-UHFFFAOYSA-N 0 0 396.535 3.709 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)c3c(Cl)nn(C)c3Cl)cc2)CC1 ZINC000859283253 883717864 /nfs/dbraw/zinc/71/78/64/883717864.db2.gz MZPAKRFNUPIDHP-UHFFFAOYSA-N 0 0 381.307 3.893 20 10 GHCDRN CC(C)C[C@@H]1C[C@H](NC(=O)NCc2cc(Br)ccc2O)CCO1 ZINC000805270468 883730029 /nfs/dbraw/zinc/73/00/29/883730029.db2.gz XNUKCSUHUQERFT-HUUCEWRRSA-N 0 0 385.302 3.548 20 10 GHCDRN CC(C)CCOc1cccc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000064600916 883737059 /nfs/dbraw/zinc/73/70/59/883737059.db2.gz MQDDERXBOKTGLI-UHFFFAOYSA-N 0 0 397.519 3.775 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000116718861 883774802 /nfs/dbraw/zinc/77/48/02/883774802.db2.gz NKQTXCLUALOGJF-UHFFFAOYSA-N 0 0 391.855 3.742 20 10 GHCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000897601250 884026860 /nfs/dbraw/zinc/02/68/60/884026860.db2.gz GPFKABZAJCUEDZ-UHFFFAOYSA-N 0 0 397.500 3.865 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC(OCC3CC3)CC2)c1 ZINC000859752628 884033691 /nfs/dbraw/zinc/03/36/91/884033691.db2.gz OGXXQAXNQUORMP-UHFFFAOYSA-N 0 0 380.488 3.938 20 10 GHCDRN CC(=O)NCCN(Cc1ccc(C)s1)Cc1c(O)cccc1Br ZINC000862356257 884098147 /nfs/dbraw/zinc/09/81/47/884098147.db2.gz ZAMVNKYIOTYHPR-UHFFFAOYSA-N 0 0 397.338 3.663 20 10 GHCDRN CCCc1c(C(=O)NCCc2ccc(O)c(O)c2)cnn1-c1ccc(C)cc1 ZINC000760454587 884105617 /nfs/dbraw/zinc/10/56/17/884105617.db2.gz LMHVAWWIQZRNSK-UHFFFAOYSA-N 0 0 379.460 3.517 20 10 GHCDRN CCCc1c(C(=O)NCCc2ccc(O)c(O)c2)cnn1-c1ccccc1C ZINC000760456186 884105761 /nfs/dbraw/zinc/10/57/61/884105761.db2.gz XAHFGNUPRPFQNS-UHFFFAOYSA-N 0 0 379.460 3.517 20 10 GHCDRN Cc1cc(C(=O)NCCC(=O)NC2CCCCC2)c(C)n1-c1cccc(C)c1 ZINC000918672721 884128998 /nfs/dbraw/zinc/12/89/98/884128998.db2.gz CODQOTUOGBVUCE-UHFFFAOYSA-N 0 0 381.520 3.971 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2ccn(CC(F)F)n2)cc1 ZINC000859884610 884147933 /nfs/dbraw/zinc/14/79/33/884147933.db2.gz ASHISUJDNIOLAQ-UHFFFAOYSA-N 0 0 386.402 3.549 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H](CCO)c2ccccc2)c1 ZINC000859978336 884228378 /nfs/dbraw/zinc/22/83/78/884228378.db2.gz YIAOWYHSSVHDSM-OAQYLSRUSA-N 0 0 390.483 3.803 20 10 GHCDRN CC(C)SCCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000806012807 884270056 /nfs/dbraw/zinc/27/00/56/884270056.db2.gz HTZWELFBVRZNIN-CQSZACIVSA-N 0 0 387.496 3.698 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1CC12CCCC2 ZINC000747296143 884295611 /nfs/dbraw/zinc/29/56/11/884295611.db2.gz ASRULAQAQQKVAE-KRWDZBQOSA-N 0 0 382.426 3.739 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(Br)c(C)nc1OC ZINC000777135910 884313430 /nfs/dbraw/zinc/31/34/30/884313430.db2.gz OKCOCOGNHVGCCO-UHFFFAOYSA-N 0 0 393.281 3.919 20 10 GHCDRN Cc1cc(C(=O)COC(=O)Cc2ncccc2F)c(C)n1-c1cccc(F)c1 ZINC000795787054 912818468 /nfs/dbraw/zinc/81/84/68/912818468.db2.gz PBICXDHQFBPALE-UHFFFAOYSA-N 0 0 384.382 3.736 20 10 GHCDRN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)NCCc1ccc(N)cc1 ZINC000841962167 884385645 /nfs/dbraw/zinc/38/56/45/884385645.db2.gz MZYJWYUDAFOPDQ-UHFFFAOYSA-N 0 0 395.482 3.615 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1cc(F)cc(F)c1[O-] ZINC000806169156 884422803 /nfs/dbraw/zinc/42/28/03/884422803.db2.gz IPMAWGKCBZELKK-CMPLNLGQSA-N 0 0 380.357 3.655 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)N[C@H]3CCCc4cc(N)ccc43)CC2)cc1 ZINC000841980354 884451591 /nfs/dbraw/zinc/45/15/91/884451591.db2.gz ZTKBDQQJGXRSHV-QFIPXVFZSA-N 0 0 394.519 3.577 20 10 GHCDRN COc1ccc(CC[C@@H]2CCCCN2C(=O)Cc2ccc(N)cc2)cc1OC ZINC000154830091 884462170 /nfs/dbraw/zinc/46/21/70/884462170.db2.gz BRCWYDYVBFRKIA-FQEVSTJZSA-N 0 0 382.504 3.842 20 10 GHCDRN CN1CCCc2cc(NC(=O)NCc3cc(Br)ccc3O)ccc21 ZINC000806231321 884496712 /nfs/dbraw/zinc/49/67/12/884496712.db2.gz JYPQOXXWHGWGLR-UHFFFAOYSA-N 0 0 390.281 3.859 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000806264370 884520978 /nfs/dbraw/zinc/52/09/78/884520978.db2.gz OGLZXRFOLWXLBE-UHFFFAOYSA-N 0 0 387.237 3.867 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)C[C@@H]3CCc4sccc4C3=O)C2)cc1 ZINC000898008417 884538533 /nfs/dbraw/zinc/53/85/33/884538533.db2.gz YDQZRCLTWAYDDK-HOTGVXAUSA-N 0 0 398.528 3.535 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N(C)CCCn2ccnc2C)cc1 ZINC000860307603 884546744 /nfs/dbraw/zinc/54/67/44/884546744.db2.gz WJYJQDGXJPPIMB-UHFFFAOYSA-N 0 0 392.503 3.503 20 10 GHCDRN CCOCCN(CC)C(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C ZINC000843793014 884555945 /nfs/dbraw/zinc/55/59/45/884555945.db2.gz OFRLXVLDEKHOIR-UHFFFAOYSA-N 0 0 394.313 3.750 20 10 GHCDRN Cc1ccc(NC(=S)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1 ZINC000914703468 884556292 /nfs/dbraw/zinc/55/62/92/884556292.db2.gz IWYWWHRTYCXFQI-UHFFFAOYSA-N 0 0 389.424 3.602 20 10 GHCDRN Cc1cc(CCNC(=O)N2CCC[C@@H]2c2nc(C)no2)c(C)n1-c1ccccc1 ZINC000806346322 884604002 /nfs/dbraw/zinc/60/40/02/884604002.db2.gz SLALFGGCFHJZBT-HXUWFJFHSA-N 0 0 393.491 3.875 20 10 GHCDRN Cc1noc(C)c1[C@@H](C)NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000806387660 884627480 /nfs/dbraw/zinc/62/74/80/884627480.db2.gz KBUDIWRTXBYENF-CQSZACIVSA-N 0 0 399.491 3.536 20 10 GHCDRN CCc1nn(C)c(CC)c1CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001127317664 884669436 /nfs/dbraw/zinc/66/94/36/884669436.db2.gz FFYPWPVQYMQNRF-UHFFFAOYSA-N 0 0 378.520 3.811 20 10 GHCDRN Cc1c(C)n(C)c2ccc(OS(=O)(=O)c3cnn(Cc4ccccc4)c3)cc12 ZINC001212201498 884672393 /nfs/dbraw/zinc/67/23/93/884672393.db2.gz CWYWPCFCSDLZDC-UHFFFAOYSA-N 0 0 395.484 3.808 20 10 GHCDRN CN(CC(F)(F)F)C(=O)COC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC000918952272 884678810 /nfs/dbraw/zinc/67/88/10/884678810.db2.gz LGGTVOZPNKFDIR-UHFFFAOYSA-N 0 0 395.337 3.985 20 10 GHCDRN COCCN(CC(=O)Nc1ccc(Cl)cc1C)c1ccc(OC)c(OC)c1 ZINC000174798685 884773671 /nfs/dbraw/zinc/77/36/71/884773671.db2.gz XKQHQDFQMAVSLV-UHFFFAOYSA-N 0 0 392.883 3.757 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1F ZINC000806635364 884889086 /nfs/dbraw/zinc/88/90/86/884889086.db2.gz SCJFKBSGBBJKBM-DYXWJJEUSA-N 0 0 397.494 3.606 20 10 GHCDRN COc1ccc([C@H](C)NC(=O)NCc2ccc3c(c2)CCCN3C)c(C)c1OC ZINC000806635750 884889182 /nfs/dbraw/zinc/88/91/82/884889182.db2.gz VBDAVRBRQACNHS-INIZCTEOSA-N 0 0 397.519 3.955 20 10 GHCDRN COCC[C@@H](NC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1)c1ccco1 ZINC000860685037 884913472 /nfs/dbraw/zinc/91/34/72/884913472.db2.gz DTRVMKGQHCNPPD-OAQYLSRUSA-N 0 0 394.471 3.936 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NCc3ccc4[nH]c(C)cc4c3)CC2)cc1 ZINC000806683314 884914432 /nfs/dbraw/zinc/91/44/32/884914432.db2.gz FTEDUHUCTFZABX-UHFFFAOYSA-N 0 0 392.503 3.953 20 10 GHCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCC(=Cc4cccc(F)c4)CC3)cc2N1 ZINC000761884106 884919076 /nfs/dbraw/zinc/91/90/76/884919076.db2.gz NANRMHYZMLTNGA-UHFFFAOYSA-N 0 0 383.379 3.749 20 10 GHCDRN CCN(C)C(=O)c1cccc(NC(=O)NCc2ccc(N(CC)CC)cc2)c1 ZINC000806773133 884967511 /nfs/dbraw/zinc/96/75/11/884967511.db2.gz FFSRPQLVSBCXMO-UHFFFAOYSA-N 0 0 382.508 3.946 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)Cc3cccc4cnccc43)C2)cc1 ZINC000860841806 885042147 /nfs/dbraw/zinc/04/21/47/885042147.db2.gz FBANAAHEUGTETH-QGZVFWFLSA-N 0 0 376.456 3.856 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)ccc1C ZINC000860848289 885047079 /nfs/dbraw/zinc/04/70/79/885047079.db2.gz KUCQMHCNYDIVKH-UNMCSNQZSA-N 0 0 380.488 3.902 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccoc2COc2ccc(C=O)cc2)c1 ZINC000761973256 885080686 /nfs/dbraw/zinc/08/06/86/885080686.db2.gz OUMQPFTXKUFJOK-CQSZACIVSA-N 0 0 395.411 3.876 20 10 GHCDRN Cc1cc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c(Cl)cc1F ZINC000806920797 885089137 /nfs/dbraw/zinc/08/91/37/885089137.db2.gz NALQKIYDTVEGMC-UHFFFAOYSA-N 0 0 390.842 3.627 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N3CC[C@@H](C)[C@H](n4ccnc4)C3)cc2)CC1 ZINC000153396475 885092449 /nfs/dbraw/zinc/09/24/49/885092449.db2.gz PVOVWJVSVNVALE-DENIHFKCSA-N 0 0 395.551 3.912 20 10 GHCDRN Cc1cc(C(=O)O[C@@H](C)C(=O)N(C)C2CCCCC2)c(C)n1-c1ccccn1 ZINC000914906616 885143046 /nfs/dbraw/zinc/14/30/46/885143046.db2.gz OAMNGLYAQXSRRF-KRWDZBQOSA-N 0 0 383.492 3.826 20 10 GHCDRN COC[C@@H](C)n1ccc(NC(=O)NCc2cc(C)n(-c3ccccc3)c2C)n1 ZINC000860981321 885142999 /nfs/dbraw/zinc/14/29/99/885142999.db2.gz IMCGADUXBLDFAR-MRXNPFEDSA-N 0 0 381.480 3.820 20 10 GHCDRN CC(=O)c1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)ccc1F ZINC000807006956 885157698 /nfs/dbraw/zinc/15/76/98/885157698.db2.gz WRAWMUMNSOZUDW-UHFFFAOYSA-N 0 0 397.450 3.915 20 10 GHCDRN CNC(=O)C[C@@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1[O-])c1ccccc1 ZINC000795849220 912908002 /nfs/dbraw/zinc/90/80/02/912908002.db2.gz GOMKMTSGDITWCO-BDJLRTHQSA-N 0 0 395.272 3.822 20 10 GHCDRN CNC(=O)C[C@@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])c1ccccc1 ZINC000795850316 912908194 /nfs/dbraw/zinc/90/81/94/912908194.db2.gz XWVRMZYEXHLXLX-MEDUHNTESA-N 0 0 395.272 3.822 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3cccc(OC(F)(F)F)c3)C2)cc1 ZINC001130827281 885212011 /nfs/dbraw/zinc/21/20/11/885212011.db2.gz XWEIYUMBUQZTRF-AWEZNQCLSA-N 0 0 380.366 3.603 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000807094974 885235430 /nfs/dbraw/zinc/23/54/30/885235430.db2.gz GNCUGOWLUDQKTM-INIZCTEOSA-N 0 0 393.487 3.643 20 10 GHCDRN C[C@H](NC(=O)C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000807191903 885283268 /nfs/dbraw/zinc/28/32/68/885283268.db2.gz LHMUUUVXRPJVJK-WIEQDCTASA-N 0 0 397.494 3.509 20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)c3csc(C4CC4)n3)cc2F)C[C@H](C)O1 ZINC000747374624 885290463 /nfs/dbraw/zinc/29/04/63/885290463.db2.gz BREKUWIYHRJDAV-STQMWFEESA-N 0 0 389.496 3.703 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC([C@H]3CCCO3)CC2)cc1 ZINC000861198459 885314201 /nfs/dbraw/zinc/31/42/01/885314201.db2.gz FJXPAEKTXXTEAV-HSZRJFAPSA-N 0 0 394.515 3.867 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000861198684 885314831 /nfs/dbraw/zinc/31/48/31/885314831.db2.gz GIUCYYIDVJRBQW-QFIPXVFZSA-N 0 0 380.488 3.938 20 10 GHCDRN COc1ccc(Br)c(CN(C)Cc2cc3c(cc2O)OCO3)c1 ZINC000762067218 885322657 /nfs/dbraw/zinc/32/26/57/885322657.db2.gz VJCDDHHUHUIXIC-UHFFFAOYSA-N 0 0 380.238 3.524 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1OC1CCC1 ZINC000118307214 885581887 /nfs/dbraw/zinc/58/18/87/885581887.db2.gz NYBQHEJGNFAVAH-UHFFFAOYSA-N 0 0 380.488 3.727 20 10 GHCDRN Cc1ccccc1[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807671427 885595774 /nfs/dbraw/zinc/59/57/74/885595774.db2.gz OYYRLZJLKDRIQW-UTKZUKDTSA-N 0 0 379.504 3.602 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)[C@H](C)Oc3cc(C)ccc3Cl)C2)cc1 ZINC001131030364 885619138 /nfs/dbraw/zinc/61/91/38/885619138.db2.gz OXEOVKHIMZKDPV-HOTGVXAUSA-N 0 0 388.895 3.819 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3cc(Br)c(C)s3)C2)cc1 ZINC001131029948 885619557 /nfs/dbraw/zinc/61/95/57/885619557.db2.gz IJWTZEANRRINLY-LBPRGKRZSA-N 0 0 395.322 3.836 20 10 GHCDRN CC[C@H](CSc1ccccc1)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807676622 885624371 /nfs/dbraw/zinc/62/43/71/885624371.db2.gz HTQYMLNJEMJYNP-SJLPKXTDSA-N 0 0 399.560 3.617 20 10 GHCDRN C[C@@H](NC(=O)C(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1)c1ccc(N(C)C)cc1 ZINC000807676691 885626458 /nfs/dbraw/zinc/62/64/58/885626458.db2.gz IRVCZZNVBOVMHO-GPMSIDNRSA-N 0 0 383.492 3.523 20 10 GHCDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000915083972 885708716 /nfs/dbraw/zinc/70/87/16/885708716.db2.gz SMHCNEOSDWPFLB-HNNXBMFYSA-N 0 0 385.489 3.992 20 10 GHCDRN C[C@@H]1CC(=O)N(C)c2ccc(NC(=O)NCc3ccc4c(c3)CCCN4C)cc21 ZINC000861637496 885716725 /nfs/dbraw/zinc/71/67/25/885716725.db2.gz DIZLOAGTECCYRH-OAHLLOKOSA-N 0 0 392.503 3.861 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H](CC(=O)NCOc1ccccc1)c1ccccc1O ZINC001184075707 912977443 /nfs/dbraw/zinc/97/74/43/912977443.db2.gz UFMZFYFXJMZRKW-QGZVFWFLSA-N 0 0 386.448 3.501 20 10 GHCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc(N2CCc3ccccc3C2)cc1 ZINC000762261093 885867557 /nfs/dbraw/zinc/86/75/57/885867557.db2.gz GNORRDMKUHVTPW-UHFFFAOYSA-N 0 0 388.467 3.633 20 10 GHCDRN CCCOc1ccc(NC(=O)C(=O)N(CCC)Cc2ccccc2O)cc1C ZINC000861819834 885892515 /nfs/dbraw/zinc/89/25/15/885892515.db2.gz QARLPKBITXWXNY-UHFFFAOYSA-N 0 0 384.476 3.867 20 10 GHCDRN O=C(NCCc1ccc(O)c(O)c1)c1cc(Br)cc2ccccc21 ZINC000762268543 885907152 /nfs/dbraw/zinc/90/71/52/885907152.db2.gz JYBLTUDYUSWEBE-UHFFFAOYSA-N 0 0 386.245 3.986 20 10 GHCDRN CC(C)COc1ccc(C2(C(=O)NCCc3ccc(O)c(O)c3)CCC2)cc1 ZINC000762267302 885907366 /nfs/dbraw/zinc/90/73/66/885907366.db2.gz BZZPEIAXKQQDSG-UHFFFAOYSA-N 0 0 383.488 3.913 20 10 GHCDRN CC(C)[C@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000155016492 885914717 /nfs/dbraw/zinc/91/47/17/885914717.db2.gz HYGRECMYBQISNE-NRFANRHFSA-N 0 0 398.522 3.918 20 10 GHCDRN O=C1C[C@@H](c2noc(-c3ccc(-n4cccc4)c(F)c3)n2)CN1CC1CCC1 ZINC000762295251 885947604 /nfs/dbraw/zinc/94/76/04/885947604.db2.gz AJSVLLQRULRVEJ-MRXNPFEDSA-N 0 0 380.423 3.782 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000861885384 885948598 /nfs/dbraw/zinc/94/85/98/885948598.db2.gz ARAPYKXKUYDCLV-CZTZKLFOSA-N 0 0 380.488 3.672 20 10 GHCDRN CCOc1ccc(-n2c(SCC(=O)C(C)=O)nnc2-c2ccc(F)cc2)cc1 ZINC000808026536 885951410 /nfs/dbraw/zinc/95/14/10/885951410.db2.gz PKSIFHSYWUOYSF-UHFFFAOYSA-N 0 0 399.447 3.722 20 10 GHCDRN CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC001184087645 912991724 /nfs/dbraw/zinc/99/17/24/912991724.db2.gz FRLUHRAPGNVFCR-HXUWFJFHSA-N 0 0 394.468 3.643 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N3CCc4ccccc4[C@@H]3CO)cc2)CC1 ZINC000762289131 885960916 /nfs/dbraw/zinc/96/09/16/885960916.db2.gz BKYPUOKDORCYJX-QHCPKHFHSA-N 0 0 393.531 3.724 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000808095536 886013835 /nfs/dbraw/zinc/01/38/35/886013835.db2.gz INYQJRPOHBXLQC-HNNXBMFYSA-N 0 0 375.248 3.535 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c(C)n1[C@@H]1CCOC1 ZINC000862002273 886045434 /nfs/dbraw/zinc/04/54/34/886045434.db2.gz PMWOOPUZLIIDDR-HRAATJIYSA-N 0 0 383.536 3.802 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC(C)(C)c2cn(C(C)C)nn2)c1 ZINC000862021715 886058460 /nfs/dbraw/zinc/05/84/60/886058460.db2.gz JGDLTBVMUIGTLN-UHFFFAOYSA-N 0 0 393.491 3.744 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(OC3CCCCC3)cc2)c1 ZINC000862025617 886061868 /nfs/dbraw/zinc/06/18/68/886061868.db2.gz PGFITXDMVRIIDH-UHFFFAOYSA-N 0 0 382.460 3.667 20 10 GHCDRN O=C(NCc1ccc2cccnc2c1O)C1(c2ccccc2Cl)CCOCC1 ZINC000862028079 886064865 /nfs/dbraw/zinc/06/48/65/886064865.db2.gz PBGCOWATEZLJJJ-UHFFFAOYSA-N 0 0 396.874 3.958 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)C3CCc4ccccc4CC3)C2)cc1 ZINC000862034721 886069199 /nfs/dbraw/zinc/06/91/99/886069199.db2.gz AMHHQBBSTFIUNO-GOSISDBHSA-N 0 0 378.516 3.833 20 10 GHCDRN CCOc1cccc(CCC(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000862035474 886070663 /nfs/dbraw/zinc/07/06/63/886070663.db2.gz VIEMDOGJBCIMBW-LJQANCHMSA-N 0 0 382.504 3.669 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3COc4cc(F)ccc4C3)ccc21 ZINC001131189769 886127493 /nfs/dbraw/zinc/12/74/93/886127493.db2.gz RYJQDZPUVYRWSJ-LJQANCHMSA-N 0 0 396.462 3.777 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H](C)Cc2ccccn2)cc1 ZINC000862144105 886156215 /nfs/dbraw/zinc/15/62/15/886156215.db2.gz SAJDOKQZXNDFIJ-MRXNPFEDSA-N 0 0 375.472 3.592 20 10 GHCDRN Oc1ccc2ccncc2c1CN1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000808238331 886173758 /nfs/dbraw/zinc/17/37/58/886173758.db2.gz CNFJIPCKYPLHFA-PKOBYXMFSA-N 0 0 380.448 3.902 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC2(O)CCC(F)(F)CC2)c1 ZINC000862223962 886221456 /nfs/dbraw/zinc/22/14/56/886221456.db2.gz NGDPCIHUKQTEQF-UHFFFAOYSA-N 0 0 390.430 3.577 20 10 GHCDRN C[C@H](NC(=O)c1cc(Cl)cc(Cl)n1)c1ccc(N2CCOCC2)cc1 ZINC000762443205 886228879 /nfs/dbraw/zinc/22/88/79/886228879.db2.gz IBADRGMKCHPMKF-LBPRGKRZSA-N 0 0 380.275 3.716 20 10 GHCDRN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000762479116 886268879 /nfs/dbraw/zinc/26/88/79/886268879.db2.gz FFUTXBITECFHKF-SMDDNHRTSA-N 0 0 399.875 3.689 20 10 GHCDRN C[C@H](NC(=O)N1CCC(OC(C)(C)C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000155080863 886312913 /nfs/dbraw/zinc/31/29/13/886312913.db2.gz WZTFTCOVFBWLBQ-KRWDZBQOSA-N 0 0 389.540 3.573 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000808425535 886313051 /nfs/dbraw/zinc/31/30/51/886313051.db2.gz HEQPJUFMGXFCAT-QGZVFWFLSA-N 0 0 381.289 3.995 20 10 GHCDRN COc1cccc([C@H](CNC(=O)c2cc(C)n(-c3ccccn3)c2C)OC)c1 ZINC000862372371 886334362 /nfs/dbraw/zinc/33/43/62/886334362.db2.gz YMRKRVDKZXZVKM-FQEVSTJZSA-N 0 0 379.460 3.615 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)cc1F ZINC000762571167 886416735 /nfs/dbraw/zinc/41/67/35/886416735.db2.gz FJWDAPZRHBOMGV-BPQIPLTHSA-N 0 0 397.585 3.851 20 10 GHCDRN CC(=O)C(=O)COC(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1 ZINC000808506167 886431873 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0 0 386.448 3.875 20 10 GHCDRN COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@H](C)c3cc(F)cc(F)c3[O-])C2)c1 ZINC000756650716 1023754741 /nfs/dbraw/zinc/75/47/41/1023754741.db2.gz PIVIDQZSBZZKAC-KGLIPLIRSA-N 0 0 392.446 3.865 20 10 GHCDRN CN(Cc1nc(-c2cccc(Br)c2)no1)c1ccc2c(c1)OCO2 ZINC000756654347 1023755812 /nfs/dbraw/zinc/75/58/12/1023755812.db2.gz RIEIOOYRINNNEQ-UHFFFAOYSA-N 0 0 388.221 3.864 20 10 GHCDRN C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1cc(Br)cc(F)c1[O-] ZINC000756658466 1023757841 /nfs/dbraw/zinc/75/78/41/1023757841.db2.gz JTAZCQZXBMFVEH-MRVPVSSYSA-N 0 0 396.182 3.903 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)c1 ZINC000756737488 1023793705 /nfs/dbraw/zinc/79/37/05/1023793705.db2.gz GUQPCJIEBCWFRS-QLJPJBMISA-N 0 0 384.259 3.870 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1cc(Br)c(F)cc1[O-] ZINC000756768937 1023807983 /nfs/dbraw/zinc/80/79/83/1023807983.db2.gz BGYVEWKUSMRFSI-NWDGAFQWSA-N 0 0 380.261 3.618 20 10 GHCDRN C[C@H]([NH2+]CCc1cnc(C2CC2)nc1)c1cc(Br)c(F)cc1[O-] ZINC000756768682 1023808101 /nfs/dbraw/zinc/80/81/01/1023808101.db2.gz GCMXIFDEKFRXIQ-JTQLQIEISA-N 0 0 380.261 3.855 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000756782322 1023813222 /nfs/dbraw/zinc/81/32/22/1023813222.db2.gz AHVBKIBJSVPJNS-BDJLRTHQSA-N 0 0 383.366 3.582 20 10 GHCDRN COc1ccc(-c2ccccc2)cc1/C=C1/SC(N2CCOCC2)=NC1=O ZINC000756787000 1023815695 /nfs/dbraw/zinc/81/56/95/1023815695.db2.gz LZIDTQWRYRWICL-XMHGGMMESA-N 0 0 380.469 3.665 20 10 GHCDRN C[C@@H](Nc1ccc2c(c1)N(C)C(=O)CO2)c1cc(Br)c(F)cc1O ZINC000756840288 1023830919 /nfs/dbraw/zinc/83/09/19/1023830919.db2.gz KYUFHNBGQCLBMV-SECBINFHSA-N 0 0 395.228 3.822 20 10 GHCDRN COc1ccc(N[C@@H]2C[C@H](C)c3c2c(O)ccc3F)cc1NS(C)(=O)=O ZINC000756869391 1023841112 /nfs/dbraw/zinc/84/11/12/1023841112.db2.gz VJKXQAPNQMRQAK-IINYFYTJSA-N 0 0 380.441 3.572 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccn(-c2ccccc2)n1 ZINC000756916316 1023863344 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391.515 3.669 20 10 GHCDRN O=C(c1ccccc1F)N1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001138219658 1024392850 /nfs/dbraw/zinc/39/28/50/1024392850.db2.gz LEKJSORZPYQHTB-UHFFFAOYSA-N 0 0 381.495 3.774 20 10 GHCDRN Cc1c(CN2Cc3nn(C)cc3[C@H](COCC3CC3)C2)c2ccccc2n1C ZINC001138253868 1024475408 /nfs/dbraw/zinc/47/54/08/1024475408.db2.gz JNPYAKSEWVLSOM-SFHVURJKSA-N 0 0 378.520 3.746 20 10 GHCDRN CCn1nc(C)c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)c1C ZINC000837499151 1024508746 /nfs/dbraw/zinc/50/87/46/1024508746.db2.gz RSQJZGJSVPIYIB-UHFFFAOYSA-N 0 0 398.438 3.501 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)c3cc4c([nH]3)CCOC4)cc2Cl)C1 ZINC000837602822 1024579116 /nfs/dbraw/zinc/57/91/16/1024579116.db2.gz RDWYVPHWSKENHC-CQSZACIVSA-N 0 0 387.911 3.907 20 10 GHCDRN CCOC1CC(CC(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)C1 ZINC000837659396 1024614743 /nfs/dbraw/zinc/61/47/43/1024614743.db2.gz FNJSRVOTTOEPOT-UHFFFAOYSA-N 0 0 388.439 3.559 20 10 GHCDRN COC(=O)c1ccc2c(c1)nc(CN(CC1CC1)c1ccc(OC)cc1)[nH]c2=O ZINC000831587831 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CC1CCN(c2ccc(CNC(=O)N[C@@H]([C@@H](CO)C3CC3)C3CC3)cc2)CC1 ZINC000838375063 1025092542 /nfs/dbraw/zinc/09/25/42/1025092542.db2.gz CESXTTSEXWKAAL-FCHUYYIVSA-N 0 0 385.552 3.519 20 10 GHCDRN C[C@@]1(F)CCN(Cc2ccc(N3CCOCC3)c(Br)c2)C[C@H]1F ZINC001138676653 1025202317 /nfs/dbraw/zinc/20/23/17/1025202317.db2.gz QSWHOOSLLVSDJN-IAGOWNOFSA-N 0 0 389.284 3.558 20 10 GHCDRN FC(F)(F)[C@H]1CCN(Cc2ccc(N3CCOCC3)c(Br)c2)C1 ZINC001138679283 1025204675 /nfs/dbraw/zinc/20/46/75/1025204675.db2.gz WOMSKIBYMNZKKS-ZDUSSCGKSA-N 0 0 393.247 3.670 20 10 GHCDRN C[C@H](NC(=O)N(C)C1CC(NC(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000838557390 1025208278 /nfs/dbraw/zinc/20/82/78/1025208278.db2.gz AKJDWMIYDKXXCE-NXVRBGIVSA-N 0 0 390.528 3.511 20 10 GHCDRN C[C@H](CCO)CCNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000838579219 1025219315 /nfs/dbraw/zinc/21/93/15/1025219315.db2.gz RFIDNLCSEVOSTB-JKSUJKDBSA-N 0 0 381.948 3.784 20 10 GHCDRN O=C(Nc1cccnc1F)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000832105356 1025224720 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10 GHCDRN c1cc2cccc(CN3CCN(c4ccc(OCc5cccnc5)cc4)CC3)n2n1 ZINC001138810312 1025403238 /nfs/dbraw/zinc/40/32/38/1025403238.db2.gz RWIBKRVBMQPYPZ-UHFFFAOYSA-N 0 0 399.498 3.631 20 10 GHCDRN FC(F)(F)Oc1ccc(N2CCN(Cc3cccc4ccnn43)CC2)cc1 ZINC001138809920 1025403419 /nfs/dbraw/zinc/40/34/19/1025403419.db2.gz HMUWWNATKBMWOA-UHFFFAOYSA-N 0 0 376.382 3.555 20 10 GHCDRN CCS(=O)(=O)c1ccc(CN2CCc3c(c4cc(OC)ccc4n3C)C2)cc1 ZINC001138815168 1025409308 /nfs/dbraw/zinc/40/93/08/1025409308.db2.gz UHFYHGRWESSSQO-UHFFFAOYSA-N 0 0 398.528 3.539 20 10 GHCDRN O[C@]1(C(F)F)CCN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000839126651 1025619520 /nfs/dbraw/zinc/61/95/20/1025619520.db2.gz JEVWXBIRBHCLDN-QGZVFWFLSA-N 0 0 389.284 3.641 20 10 GHCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146891 1025642361 /nfs/dbraw/zinc/64/23/61/1025642361.db2.gz ZIAPKZIFXYMFPT-UHFFFAOYSA-N 0 0 386.801 3.589 20 10 GHCDRN COc1nc2ccccc2cc1CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146619 1025642377 /nfs/dbraw/zinc/64/23/77/1025642377.db2.gz ONJYPFMNWLCPTL-UHFFFAOYSA-N 0 0 399.441 3.648 20 10 GHCDRN CC(C)(C)C[C@H]1CCN(C(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000839211134 1025727591 /nfs/dbraw/zinc/72/75/91/1025727591.db2.gz DEJYGZQHOZURKB-QGZVFWFLSA-N 0 0 398.503 3.799 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cccc2c1CCCCC2 ZINC001162540195 1025785893 /nfs/dbraw/zinc/78/58/93/1025785893.db2.gz SYJGPLKPPUBRDG-UHFFFAOYSA-N 0 0 381.472 3.867 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](CO)CCC(C)(C)C)CCCC1 ZINC001139098781 1025910197 /nfs/dbraw/zinc/91/01/97/1025910197.db2.gz XZGRTKOPPDPNHE-MRXNPFEDSA-N 0 0 386.536 3.832 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001139127739 1025940047 /nfs/dbraw/zinc/94/00/47/1025940047.db2.gz OQWVSMGHNUKXDY-MMOPVJDHSA-N 0 0 383.488 3.834 20 10 GHCDRN CCOc1ccc(C[C@@H](C)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000839471863 1025963039 /nfs/dbraw/zinc/96/30/39/1025963039.db2.gz HRZZVPAGDGUNGR-LJQANCHMSA-N 0 0 396.531 3.759 20 10 GHCDRN Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001139150725 1025968724 /nfs/dbraw/zinc/96/87/24/1025968724.db2.gz BYJMUEBSBXYKOF-IBGZPJMESA-N 0 0 389.415 3.886 20 10 GHCDRN CC[C@@H](C)C[C@@H](CO)NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000832819159 1025987434 /nfs/dbraw/zinc/98/74/34/1025987434.db2.gz ZAHHVFMHXRCTIN-BEFAXECRSA-N 0 0 382.464 3.954 20 10 GHCDRN CSc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ccc1Cl ZINC000839516149 1025998470 /nfs/dbraw/zinc/99/84/70/1025998470.db2.gz FNJRPIZPJCMJIZ-LBPRGKRZSA-N 0 0 391.924 3.944 20 10 GHCDRN Cc1cc(C)c(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c(C)n1 ZINC000839525014 1026008590 /nfs/dbraw/zinc/00/85/90/1026008590.db2.gz MZHFDHXIDWIUBY-UHFFFAOYSA-N 0 0 380.492 3.751 20 10 GHCDRN COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000839578254 1026073878 /nfs/dbraw/zinc/07/38/78/1026073878.db2.gz DPCZTLHDXDLGDG-ORYQWCPZSA-N 0 0 380.488 3.513 20 10 GHCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc2cccnc2[nH]1 ZINC000839690519 1026204744 /nfs/dbraw/zinc/20/47/44/1026204744.db2.gz GVZMDTFWWMATSV-AWEZNQCLSA-N 0 0 386.402 3.563 20 10 GHCDRN COCCOC(=O)c1ccnc(N[C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)c1 ZINC001163488536 1026211502 /nfs/dbraw/zinc/21/15/02/1026211502.db2.gz VMPPXAHUGSMZJQ-FQEVSTJZSA-N 0 0 384.476 3.943 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)Cn3ccc4ccc(Cl)cc43)C2)cc1 ZINC001461079392 1069379000 /nfs/dbraw/zinc/37/90/00/1069379000.db2.gz VKLWUIFCUUTZMD-INIZCTEOSA-N 0 0 397.906 3.946 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCCc1nc(C(C)(C)C)no1 ZINC000839914663 1026344043 /nfs/dbraw/zinc/34/40/43/1026344043.db2.gz AVNOVJUAIOLHTQ-INIZCTEOSA-N 0 0 386.540 3.812 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCc1cnn(-c2ccccc2)c1 ZINC000839917050 1026345917 /nfs/dbraw/zinc/34/59/17/1026345917.db2.gz YIERBGDAVLQUIB-LJQANCHMSA-N 0 0 390.531 3.927 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccncc1Br ZINC000839919653 1026346855 /nfs/dbraw/zinc/34/68/55/1026346855.db2.gz ISJJXUXECMVUDR-CYBMUJFWSA-N 0 0 376.298 3.580 20 10 GHCDRN COc1cccc2[nH]cc(CC(=O)N[C@H](C)Cc3ccc(N(C)C)cc3C)c21 ZINC000839921120 1026348342 /nfs/dbraw/zinc/34/83/42/1026348342.db2.gz WYWQLEPPBHZWQQ-MRXNPFEDSA-N 0 0 379.504 3.841 20 10 GHCDRN COCCOCc1ccc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cc1 ZINC000839921820 1026348537 /nfs/dbraw/zinc/34/85/37/1026348537.db2.gz NHDQPADZWPWZGB-SFHVURJKSA-N 0 0 384.520 3.585 20 10 GHCDRN CCc1ccc(NC(=O)N2CCN(c3ccc(OCCOC)cc3)CC2)cc1 ZINC001202942647 1026375747 /nfs/dbraw/zinc/37/57/47/1026375747.db2.gz QOSSDGCVEJNIDW-UHFFFAOYSA-N 0 0 383.492 3.628 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC2(C1)CC[NH+](Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139681184 1026535405 /nfs/dbraw/zinc/53/54/05/1026535405.db2.gz LDSJYWODRBBHCY-UHFFFAOYSA-N 0 0 382.451 3.893 20 10 GHCDRN CC(=O)N1CC2(CC[NH+](Cc3c(F)ccc(F)c3[O-])CC2)c2cc(C)ccc21 ZINC001139682697 1026536926 /nfs/dbraw/zinc/53/69/26/1026536926.db2.gz AOEXDVBKYJXXDO-UHFFFAOYSA-N 0 0 386.442 3.879 20 10 GHCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 ZINC001139682108 1026537194 /nfs/dbraw/zinc/53/71/94/1026537194.db2.gz PAPDDRMIRHYLPV-IBGZPJMESA-N 0 0 395.400 3.803 20 10 GHCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001139682263 1026537582 /nfs/dbraw/zinc/53/75/82/1026537582.db2.gz UNYWXRUKFNXURQ-WIYYLYMNSA-N 0 0 390.430 3.516 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H](c2ccncc2)C2CCCC2)cc1 ZINC001164597701 1026562647 /nfs/dbraw/zinc/56/26/47/1026562647.db2.gz SKATXLPUYUDRSK-QFIPXVFZSA-N 0 0 381.520 3.959 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCCC[C@@H]2C[C@H](C)O)cc1 ZINC001139878484 1026694364 /nfs/dbraw/zinc/69/43/64/1026694364.db2.gz FTUIYLDUYUXOSG-HTAPYJJXSA-N 0 0 382.504 3.601 20 10 GHCDRN O=C(NCc1cc(Cl)ccc1O)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC001165498402 1026746822 /nfs/dbraw/zinc/74/68/22/1026746822.db2.gz NAMSRDCTUCHUIU-UHFFFAOYSA-N 0 0 380.831 3.973 20 10 GHCDRN C[C@@H]1C[C@H](C(=O)NCc2cc(Cl)ccc2O)CCN1C(=O)OC(C)(C)C ZINC001165508716 1026748970 /nfs/dbraw/zinc/74/89/70/1026748970.db2.gz VAKOERGYLIUOLS-CHWSQXEVSA-N 0 0 382.888 3.697 20 10 GHCDRN CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCCN2Cc1c(O)cccc1Br ZINC001140100035 1026877606 /nfs/dbraw/zinc/87/76/06/1026877606.db2.gz BQUXNQVZJYSECI-HUUCEWRRSA-N 0 0 397.313 3.738 20 10 GHCDRN CC(C)(C)OC(=O)N1CC2(C1)CCCN2Cc1c(O)cccc1Br ZINC001140100255 1026877687 /nfs/dbraw/zinc/87/76/87/1026877687.db2.gz HVNPPTDLVCNWPW-UHFFFAOYSA-N 0 0 397.313 3.740 20 10 GHCDRN CCOC[C@@H]1CN(Cc2c(O)cccc2Br)Cc2c1cnn2CC ZINC001140100023 1026878021 /nfs/dbraw/zinc/87/80/21/1026878021.db2.gz BKJCYRHTSGRDTH-ZDUSSCGKSA-N 0 0 394.313 3.507 20 10 GHCDRN CC(C)(C)OC(=O)NCC12CC(C1)CN2Cc1c(O)cccc1Br ZINC001140100254 1026878355 /nfs/dbraw/zinc/87/83/55/1026878355.db2.gz HVBNBVYIRSNSGH-UHFFFAOYSA-N 0 0 397.313 3.644 20 10 GHCDRN Oc1cccc(Br)c1CN1CCc2nn(-c3ccccc3)cc2C1 ZINC001140103010 1026883975 /nfs/dbraw/zinc/88/39/75/1026883975.db2.gz DRLNTUGLLUCQLZ-UHFFFAOYSA-N 0 0 384.277 3.899 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)Sc1ccc(NC(C)=O)cc1 ZINC001140198605 1026971182 /nfs/dbraw/zinc/97/11/82/1026971182.db2.gz KVWLBSCZWGAWCA-ZDUSSCGKSA-N 0 0 393.505 3.633 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2ccnc(-c3nccs3)n2)C1 ZINC001166816378 1027093333 /nfs/dbraw/zinc/09/33/33/1027093333.db2.gz CSBIKEAXCUIVCK-UHFFFAOYSA-N 0 0 377.473 3.663 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2ncc(C)cc2C(OC)OC)C1 ZINC001166817461 1027094313 /nfs/dbraw/zinc/09/43/13/1027094313.db2.gz DSIZURTWZKXRQW-UHFFFAOYSA-N 0 0 381.476 3.744 20 10 GHCDRN CN(C)S(=O)(=O)c1cccc(Nc2ccc(Cc3ccc(N)cc3)cc2)c1 ZINC001203278851 1027259347 /nfs/dbraw/zinc/25/93/47/1027259347.db2.gz VKNYEXKQXGBOHD-UHFFFAOYSA-N 0 0 381.501 3.854 20 10 GHCDRN CCCCOC(=O)Nc1ccc(N(c2ccc(N)cc2)S(C)(=O)=O)cc1 ZINC001209918658 1027274637 /nfs/dbraw/zinc/27/46/37/1027274637.db2.gz ZSHNJGQUABSAEF-UHFFFAOYSA-N 0 0 377.466 3.715 20 10 GHCDRN CCOCCOC1CCN(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)CC1 ZINC001141792105 1027293919 /nfs/dbraw/zinc/29/39/19/1027293919.db2.gz RMEZYKFUSDQHMX-UHFFFAOYSA-N 0 0 398.503 3.564 20 10 GHCDRN CCOC(=O)[C@H]1c2ccc(Br)cc2CCN1Cc1ccccc1O ZINC001203562081 1027434803 /nfs/dbraw/zinc/43/48/03/1027434803.db2.gz DCVDZSKNJVWOPS-GOSISDBHSA-N 0 0 390.277 3.817 20 10 GHCDRN C[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2[O-])C[C@@]1(C)O ZINC001203565297 1027437203 /nfs/dbraw/zinc/43/72/03/1027437203.db2.gz ZBUTYBLBIYHYQN-YMTOWFKASA-N 0 0 393.119 3.510 20 10 GHCDRN O=C1N(CC2CC2)CC[C@@]12CCC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001203575744 1027444777 /nfs/dbraw/zinc/44/47/77/1027444777.db2.gz ZFMGBELBDYIQKI-LJQANCHMSA-N 0 0 383.319 3.924 20 10 GHCDRN O=C1NC[C@@H](c2ccccc2)[C@]12CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001203575528 1027445555 /nfs/dbraw/zinc/44/55/55/1027445555.db2.gz QNKSQNPPKMFVKP-OXJNMPFZSA-N 0 0 391.298 3.805 20 10 GHCDRN CCOC[C@H]1CN(Cc2cc(Br)ccc2O)Cc2nn(CC)cc21 ZINC001203639310 1027497762 /nfs/dbraw/zinc/49/77/62/1027497762.db2.gz AZPGURXYFKWHGF-CQSZACIVSA-N 0 0 394.313 3.507 20 10 GHCDRN CC(C)(C)c1ccncc1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000840413921 1027519124 /nfs/dbraw/zinc/51/91/24/1027519124.db2.gz MJNHJRNNOWGAQL-IBGZPJMESA-N 0 0 397.519 3.976 20 10 GHCDRN COc1ccc(O)c(CN2Cc3c(cnn3CC3CC3)[C@@H](COCC3CC3)C2)c1 ZINC001203673401 1027523370 /nfs/dbraw/zinc/52/33/70/1027523370.db2.gz XTBMLJVJELQZQN-LJQANCHMSA-N 0 0 397.519 3.533 20 10 GHCDRN Cc1ccc([C@H]2COCCN2C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)o1 ZINC000840478302 1027561794 /nfs/dbraw/zinc/56/17/94/1027561794.db2.gz FUPJCGYXNGXQKF-OXQOHEQNSA-N 0 0 385.508 3.677 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000840478247 1027561842 /nfs/dbraw/zinc/56/18/42/1027561842.db2.gz FHEJCGKTQHYIBG-CVEARBPZSA-N 0 0 397.523 3.543 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000840486059 1027570323 /nfs/dbraw/zinc/57/03/23/1027570323.db2.gz YFCWKJCLNPSFDH-BULFRSBZSA-N 0 0 381.520 3.510 20 10 GHCDRN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc(C)c(O)c1O ZINC000840552937 1027611490 /nfs/dbraw/zinc/61/14/90/1027611490.db2.gz VWMQPLMNZSTCPV-OAHLLOKOSA-N 0 0 384.476 3.902 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2ccc(OC(C)=O)c(OC)c2)C1 ZINC001203833570 1027642255 /nfs/dbraw/zinc/64/22/55/1027642255.db2.gz UTYVCMSHJSWJCN-UHFFFAOYSA-N 0 0 394.471 3.679 20 10 GHCDRN CCOC(=O)[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)c1ccccc1 ZINC001141980521 1027804391 /nfs/dbraw/zinc/80/43/91/1027804391.db2.gz VZLJTNIXZAZPJO-OAQYLSRUSA-N 0 0 382.504 3.837 20 10 GHCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000840977426 1028018225 /nfs/dbraw/zinc/01/82/25/1028018225.db2.gz HQJFSPKNAASYME-BXKDBHETSA-N 0 0 393.119 3.558 20 10 GHCDRN Nc1ccc(NC(=O)C(=O)NCC2(c3ccc(Cl)cc3)CCCCC2)cc1 ZINC000841026946 1028051998 /nfs/dbraw/zinc/05/19/98/1028051998.db2.gz FRVKSPDRPHQJSW-UHFFFAOYSA-N 0 0 385.895 3.879 20 10 GHCDRN Nc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 ZINC000841077138 1028098081 /nfs/dbraw/zinc/09/80/81/1028098081.db2.gz ASMOSOZRFADOQY-WBVHZDCISA-N 0 0 391.393 3.679 20 10 GHCDRN Cc1cc(CNS(=O)(=O)c2cccc(F)c2F)c(C)n1-c1ccccc1 ZINC001213351172 1028128787 /nfs/dbraw/zinc/12/87/87/1028128787.db2.gz DCVGLHOSYUEYES-UHFFFAOYSA-N 0 0 376.428 3.851 20 10 GHCDRN Nc1ccc(CCNC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)cc1 ZINC000841200756 1028271438 /nfs/dbraw/zinc/27/14/38/1028271438.db2.gz FYYARSNWBSZWJD-OAHLLOKOSA-N 0 0 389.883 3.702 20 10 GHCDRN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)Nc1ccc(N)cc1 ZINC000841296552 1028387691 /nfs/dbraw/zinc/38/76/91/1028387691.db2.gz VFGPIOMEJMMOSE-FQEVSTJZSA-N 0 0 391.475 3.677 20 10 GHCDRN Nc1ccc(NC(=O)N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)cc1 ZINC000841299680 1028391754 /nfs/dbraw/zinc/39/17/54/1028391754.db2.gz HSHDPVRVIVMIPR-UHFFFAOYSA-N 0 0 392.503 3.704 20 10 GHCDRN Nc1ccc(NC(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000841301625 1028392710 /nfs/dbraw/zinc/39/27/10/1028392710.db2.gz BFWGZBVBYXUEAQ-UHFFFAOYSA-N 0 0 378.398 3.637 20 10 GHCDRN Cc1ccc(N)cc1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000841319687 1028425279 /nfs/dbraw/zinc/42/52/79/1028425279.db2.gz PWJUTSZHUGRUKW-HUUCEWRRSA-N 0 0 386.471 3.652 20 10 GHCDRN Cc1cccc(Cl)c1S(=O)(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000841491191 1028693036 /nfs/dbraw/zinc/69/30/36/1028693036.db2.gz MOCUQLTWWAATQR-MRXNPFEDSA-N 0 0 395.908 3.724 20 10 GHCDRN C[C@@H]1CCCc2nc(S(=O)(=O)N(Cc3ccccc3O)C3CCCC3)cn21 ZINC000841493362 1028694050 /nfs/dbraw/zinc/69/40/50/1028694050.db2.gz LMUHOGCKSFQMGG-OAHLLOKOSA-N 0 0 389.521 3.620 20 10 GHCDRN Cc1ccc(C[C@H](CO)[NH2+]Cc2cc(Cl)cc(Br)c2[O-])cc1 ZINC001461432197 1069547126 /nfs/dbraw/zinc/54/71/26/1069547126.db2.gz NTUTYULYBQUBBE-OAHLLOKOSA-N 0 0 384.701 3.810 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1cccc(N2CCC2=O)c1 ZINC000841708561 1028865962 /nfs/dbraw/zinc/86/59/62/1028865962.db2.gz QLSBEQIPGDGMIQ-MRXNPFEDSA-N 0 0 380.492 3.550 20 10 GHCDRN COC(=O)N1CCN(c2ccc(N[C@@H](C)c3ccc(Cl)cc3O)cn2)CC1 ZINC000841758320 1028916013 /nfs/dbraw/zinc/91/60/13/1028916013.db2.gz SGRQCDBWTARUSS-ZDUSSCGKSA-N 0 0 390.871 3.502 20 10 GHCDRN COc1ccccc1[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000841799126 1028944702 /nfs/dbraw/zinc/94/47/02/1028944702.db2.gz PWHMPPRFQSSTKH-HXUWFJFHSA-N 0 0 399.447 3.509 20 10 GHCDRN CNC(=O)c1ccc(Nc2ccc(C(=O)Oc3ccc(N)cc3)cc2)c(F)c1 ZINC001214876151 1028947493 /nfs/dbraw/zinc/94/74/93/1028947493.db2.gz RKMVGUCAIRHMLH-UHFFFAOYSA-N 0 0 379.391 3.730 20 10 GHCDRN COc1ccc(C[NH2+][C@H](C(=O)[O-])c2cc(Br)ccc2OC)cc1C ZINC000841805973 1028953306 /nfs/dbraw/zinc/95/33/06/1028953306.db2.gz NIGWJAIXIFKQJZ-KRWDZBQOSA-N 0 0 394.265 3.690 20 10 GHCDRN Cc1cc(NC(=O)NCCCSc2nccs2)nn1CC(F)(F)F ZINC000841808836 1028957816 /nfs/dbraw/zinc/95/78/16/1028957816.db2.gz VQLIFYLCFIPGEP-UHFFFAOYSA-N 0 0 379.433 3.514 20 10 GHCDRN CN(c1ccc(Cl)c(OC(F)(F)F)c1)S(=O)(=O)Cc1ccc(N)cc1 ZINC001214905484 1028960107 /nfs/dbraw/zinc/96/01/07/1028960107.db2.gz VEXZZGYQPMDOIY-UHFFFAOYSA-N 0 0 394.802 3.787 20 10 GHCDRN COc1ccc(CN(C(=O)NCCc2ccc(N)cc2)[C@H](C)C2CC2)c(OC)c1 ZINC000841960090 1029014511 /nfs/dbraw/zinc/01/45/11/1029014511.db2.gz UYBSHOXXRZIHMK-MRXNPFEDSA-N 0 0 397.519 3.839 20 10 GHCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001142512733 1029014612 /nfs/dbraw/zinc/01/46/12/1029014612.db2.gz JKCNYLHEYMJLCY-TZIWHRDSSA-N 0 0 390.430 3.516 20 10 GHCDRN CC1(C)CCC[C@@H]1N(Cc1ccccc1)C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842237593 1029162374 /nfs/dbraw/zinc/16/23/74/1029162374.db2.gz VXFHDMISCDIAKP-NRFANRHFSA-N 0 0 393.531 3.535 20 10 GHCDRN Cc1ccc(NC/C=C\c2ccc(N(C)C)cc2)c(C)c1S(=O)(=O)NC1CC1 ZINC001461490712 1069575111 /nfs/dbraw/zinc/57/51/11/1069575111.db2.gz MPWVXFUQJJYXPN-WAYWQWQTSA-N 0 0 399.560 3.935 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)COc1cc(C)ccc1C(C)C ZINC001142687433 1029268837 /nfs/dbraw/zinc/26/88/37/1029268837.db2.gz OBDGNNXQQSVANV-UHFFFAOYSA-N 0 0 399.487 3.795 20 10 GHCDRN CCn1cc(C(=O)OC[C@H]2CCN(c3ccc(OC)cc3)C2)c(C(F)(F)F)n1 ZINC000842875599 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3.732 20 10 GHCDRN O=C(NCc1cccc(Cl)c1O)c1cccc(NC(=O)c2cccnc2)c1 ZINC001159033475 1034391815 /nfs/dbraw/zinc/39/18/15/1034391815.db2.gz JBTUEJBQPRFNPX-UHFFFAOYSA-N 0 0 381.819 3.623 20 10 GHCDRN CC(=O)Nc1ccc(O[C@H](C)c2ccncc2)c2c1C(=O)c1ccccc1C2=O ZINC001231185024 1034450993 /nfs/dbraw/zinc/45/09/93/1034450993.db2.gz QSYOUSWZIQNMCS-CYBMUJFWSA-N 0 0 386.407 3.955 20 10 GHCDRN CCC[C@H](CC(=O)OCC)Oc1cc(O)ccc1C(=O)c1ccc(O)c(O)c1 ZINC001231341686 1034527733 /nfs/dbraw/zinc/52/77/33/1034527733.db2.gz PJDHREZNUJCHES-OAHLLOKOSA-N 0 0 388.416 3.535 20 10 GHCDRN COc1cc(Cl)cc(CN[C@@H](c2nccn2C)c2ccc(F)cc2F)c1O ZINC001207745337 1034552010 /nfs/dbraw/zinc/55/20/10/1034552010.db2.gz NGVPMCFXMILXME-QGZVFWFLSA-N 0 0 393.821 3.945 20 10 GHCDRN O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)c(O)c1 ZINC001231450160 1034595372 /nfs/dbraw/zinc/59/53/72/1034595372.db2.gz BBOICAIFOGSILP-RBBKRZOGSA-N 0 0 381.472 3.703 20 10 GHCDRN O=C([O-])c1ccc(C[N@@H+]2CCC[C@H](OCc3ccc(Cl)cc3)C2)c(O)c1 ZINC001231452294 1034596422 /nfs/dbraw/zinc/59/64/22/1034596422.db2.gz KKQYFKLKTBZGSN-SFHVURJKSA-N 0 0 375.852 3.925 20 10 GHCDRN COc1cc(CN2CCCc3cc(O)c(O)cc3C2)ccc1OC(=O)C(C)C ZINC001231530229 1034683392 /nfs/dbraw/zinc/68/33/92/1034683392.db2.gz KLNWKNYGRHVSHS-UHFFFAOYSA-N 0 0 385.460 3.616 20 10 GHCDRN Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@H+](Cc2cc(C(=O)[O-])ccc2O)C3)c1 ZINC001231563145 1034713056 /nfs/dbraw/zinc/71/30/56/1034713056.db2.gz HHQGQJLVCKKMQS-OFNKIYASSA-N 0 0 396.487 3.613 20 10 GHCDRN CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001159703562 1034717396 /nfs/dbraw/zinc/71/73/96/1034717396.db2.gz BBCCJMCYNFLATI-SFHVURJKSA-N 0 0 390.277 3.843 20 10 GHCDRN C[N@@H+](Cc1c(O)ccc2ccccc21)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001231590048 1034743237 /nfs/dbraw/zinc/74/32/37/1034743237.db2.gz ZQNNAEIBSIXSOH-NRFANRHFSA-N 0 0 376.500 3.878 20 10 GHCDRN Oc1ccc2ccccc2c1C[N@@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC001231589241 1034744177 /nfs/dbraw/zinc/74/41/77/1034744177.db2.gz ZEAZDDAFDKZDEA-UHFFFAOYSA-N 0 0 382.467 3.998 20 10 GHCDRN Cc1cc(C)c(CN2CCn3c(COc4cccnc4)cnc3[C@H]2C)c(O)c1 ZINC001231843825 1034937950 /nfs/dbraw/zinc/93/79/50/1034937950.db2.gz BOEYBXZTPWENMJ-QGZVFWFLSA-N 0 0 378.476 3.756 20 10 GHCDRN CO[C@H](CS(=O)(=O)NCc1ccc(N(C)C2CCCCC2)cc1)C(C)C ZINC001208609174 1034953154 /nfs/dbraw/zinc/95/31/54/1034953154.db2.gz BCVDNDIUBYCZEC-HXUWFJFHSA-N 0 0 382.570 3.546 20 10 GHCDRN Cc1cc(O)c(CN2Cc3ncn(C)c3[C@H](COCC(C)C)C2)cc1Cl ZINC001231867657 1034953773 /nfs/dbraw/zinc/95/37/73/1034953773.db2.gz PHVXSWIRNLPNKM-INIZCTEOSA-N 0 0 377.916 3.860 20 10 GHCDRN O=C1CC[C@@]2(CCC[N@@H+](Cc3cccc(Cl)c3[O-])C2)N1Cc1ccncc1 ZINC001231910441 1034984763 /nfs/dbraw/zinc/98/47/63/1034984763.db2.gz PYISVNLDVFQCKR-OAQYLSRUSA-N 0 0 385.895 3.598 20 10 GHCDRN CCn1ncc2c1C[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H]2COCC1CC1 ZINC001231909529 1034984785 /nfs/dbraw/zinc/98/47/85/1034984785.db2.gz BUJFHBNZRLJMJO-MRXNPFEDSA-N 0 0 375.900 3.788 20 10 GHCDRN c1[nH]nc2c1cccc2C[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001231974833 1035017482 /nfs/dbraw/zinc/01/74/82/1035017482.db2.gz QZVUOFKKTVCYTK-UHFFFAOYSA-N 0 0 399.498 3.859 20 10 GHCDRN COCCOc1ccc(N2CCN(Cc3c(F)cc(F)cc3Cl)CC2)cc1 ZINC001232104306 1035096157 /nfs/dbraw/zinc/09/61/57/1035096157.db2.gz ODPOXQNBWLDOCV-UHFFFAOYSA-N 0 0 396.865 3.966 20 10 GHCDRN Cc1cc(CNC(=O)Nc2ccnn2[C@H]2CCOC2)c(C)n1-c1ccccc1 ZINC001209608814 1035328837 /nfs/dbraw/zinc/32/88/37/1035328837.db2.gz DMKJWFSNZKOZHM-IBGZPJMESA-N 0 0 379.464 3.574 20 10 GHCDRN COc1ccc(CNCc2nc(-c3ccc(C(F)(F)F)cc3F)no2)c(O)c1 ZINC001248253002 1035702574 /nfs/dbraw/zinc/70/25/74/1035702574.db2.gz SXAQABPHEAHZJP-UHFFFAOYSA-N 0 0 397.328 3.899 20 10 GHCDRN COc1ccc(C[N@H+](C)Cc2ccc(C)cc2)c([O-])c1I ZINC001248489487 1035912191 /nfs/dbraw/zinc/91/21/91/1035912191.db2.gz JPXYTFYTVMLISZ-UHFFFAOYSA-N 0 0 397.256 3.946 20 10 GHCDRN COc1ccc(N2CCN(Cc3ncc(C(F)(F)F)cc3F)CC2)c(OC)c1 ZINC001248790919 1036154721 /nfs/dbraw/zinc/15/47/21/1036154721.db2.gz KUPBFRDFJLDNFX-UHFFFAOYSA-N 0 0 399.388 3.579 20 10 GHCDRN COC(=O)c1ccc2c(c1)CCN2Cc1cc(Br)cc(F)c1O ZINC001462123683 1070015523 /nfs/dbraw/zinc/01/55/23/1070015523.db2.gz BGNWHBSHWHSZAW-UHFFFAOYSA-N 0 0 380.213 3.643 20 10 GHCDRN O=C(c1cc2ccccc2s1)N1CCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001462172382 1070051857 /nfs/dbraw/zinc/05/18/57/1070051857.db2.gz AKQZOKULIQSNBB-UHFFFAOYSA-N 0 0 388.439 3.843 20 10 GHCDRN COc1cc(O)c(CN2CCN(Cc3ccc(F)cc3)C[C@H]2C)cc1Cl ZINC001232265914 1037986134 /nfs/dbraw/zinc/98/61/34/1037986134.db2.gz HEJZGOYMXIKSHM-CQSZACIVSA-N 0 0 378.875 3.900 20 10 GHCDRN COc1cc(O)c(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1Cl ZINC001232268875 1037992046 /nfs/dbraw/zinc/99/20/46/1037992046.db2.gz WMYKALYCYXJHBN-UHFFFAOYSA-N 0 0 387.867 3.947 20 10 GHCDRN C[C@H]1CN(Cc2cc(Br)cc(F)c2O)c2ccccc2NC1=O ZINC001462234445 1070107685 /nfs/dbraw/zinc/10/76/85/1070107685.db2.gz KQCWPWVCSMONBS-JTQLQIEISA-N 0 0 379.229 3.889 20 10 GHCDRN COC(=O)c1c(CN2CCc3c([nH]nc3C(F)(F)F)C2)c2ccccc2n1C ZINC001232404229 1038187212 /nfs/dbraw/zinc/18/72/12/1038187212.db2.gz PGICSKUPRHEJQI-QGZVFWFLSA-N 0 0 392.381 3.821 20 10 GHCDRN COC(=O)c1c(CN2CCO[C@](C)(c3ccc(F)cc3)C2)c2ccccc2n1C ZINC001232406074 1038189661 /nfs/dbraw/zinc/18/96/61/1038189661.db2.gz SQUUSKKVTWSPKM-QHCPKHFHSA-N 0 0 396.462 3.852 20 10 GHCDRN COc1ccc(N2CCN(Cc3cccnc3NC(=O)OC(C)(C)C)CC2)cc1 ZINC001232537141 1038304310 /nfs/dbraw/zinc/30/43/10/1038304310.db2.gz BXLUGCZQJYTIHD-UHFFFAOYSA-N 0 0 398.507 3.759 20 10 GHCDRN CC(C)(C)OC(=O)Nc1cccc(CN2CCCc3cc(O)c(O)cc3C2)n1 ZINC001232603429 1038384554 /nfs/dbraw/zinc/38/45/54/1038384554.db2.gz YVBIKTVTHQZXMG-UHFFFAOYSA-N 0 0 385.464 3.788 20 10 GHCDRN O=C1CSC(=S)N1CCCc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC001248042354 1038552156 /nfs/dbraw/zinc/55/21/56/1038552156.db2.gz MTAZKLDGJUWKGM-UHFFFAOYSA-N 0 0 387.408 3.548 20 10 GHCDRN Cc1ccc(-c2noc(C3CCN(Cc4cc(O)c(O)c(O)c4)CC3)n2)cc1 ZINC001233015900 1038770106 /nfs/dbraw/zinc/77/01/06/1038770106.db2.gz CPXNUZBNMCXOHH-UHFFFAOYSA-N 0 0 381.432 3.541 20 10 GHCDRN COc1ccc(N2CCN(Cc3ccc(Cl)c(Br)n3)CC2)cc1 ZINC001233091683 1038863065 /nfs/dbraw/zinc/86/30/65/1038863065.db2.gz ZDQDRCKFEMQXCK-UHFFFAOYSA-N 0 0 396.716 3.828 20 10 GHCDRN O=C(c1ccccn1)c1cc(Cl)ccc1NC[C@H](O)COCc1ccccc1 ZINC001252293777 1038928477 /nfs/dbraw/zinc/92/84/77/1038928477.db2.gz AVEFASOOCKGPLV-SFHVURJKSA-N 0 0 396.874 3.956 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H](C(=O)OC(C)(C)C)C(C)C ZINC001252353253 1038953374 /nfs/dbraw/zinc/95/33/74/1038953374.db2.gz WSXDRSQGKHAYGL-QGZVFWFLSA-N 0 0 378.513 3.928 20 10 GHCDRN COc1ccc(NC[C@@H](O)COC(C)C)c(C(=O)c2ccc(Cl)cc2)c1 ZINC001252683929 1039077977 /nfs/dbraw/zinc/07/79/77/1039077977.db2.gz HPFSSABYYXFGKS-MRXNPFEDSA-N 0 0 377.868 3.777 20 10 GHCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CCc2ncnc(-c3ccc(F)cc3)c2CC1 ZINC001233333166 1039131965 /nfs/dbraw/zinc/13/19/65/1039131965.db2.gz LZBCLAMQQNNOBI-UHFFFAOYSA-N 0 0 385.389 3.867 20 10 GHCDRN O=C(NCc1ccc(Cl)cc1)C1CC[NH+](Cc2c([O-])ccc(F)c2F)CC1 ZINC001233336622 1039137736 /nfs/dbraw/zinc/13/77/36/1039137736.db2.gz SXKKKZSCWADQNP-UHFFFAOYSA-N 0 0 394.849 3.852 20 10 GHCDRN CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3[O-])C[C@H]21 ZINC001233415756 1039269137 /nfs/dbraw/zinc/26/91/37/1039269137.db2.gz HUKAZWKGMDOOTC-ZSOGYDGISA-N 0 0 386.414 3.614 20 10 GHCDRN Cn1nc(COCC2CC2)c2c1CCN(Cc1cccc(C(F)(F)F)c1O)C2 ZINC001233417900 1039276846 /nfs/dbraw/zinc/27/68/46/1039276846.db2.gz MJIPWDGHOHYCSF-UHFFFAOYSA-N 0 0 395.425 3.629 20 10 GHCDRN [O-]c1c(C[NH+]2CCC3(CC(N4CCCC4)=NO3)CC2)cccc1C(F)(F)F ZINC001233417747 1039276999 /nfs/dbraw/zinc/27/69/99/1039276999.db2.gz GMBNGKMJUKUULK-UHFFFAOYSA-N 0 0 383.414 3.575 20 10 GHCDRN O=C(N[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])C1)c1cccc(F)c1 ZINC001233420095 1039283072 /nfs/dbraw/zinc/28/30/72/1039283072.db2.gz ZLZSZUSXSYHGGY-MRXNPFEDSA-N 0 0 396.384 3.945 20 10 GHCDRN O=C1[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3O)C[C@H]2CN1c1ccsc1 ZINC001233453533 1039340759 /nfs/dbraw/zinc/34/07/59/1039340759.db2.gz JUHYNQSZQLCHKE-WFASDCNBSA-N 0 0 382.407 3.567 20 10 GHCDRN COCCc1ccc(OC[C@H](O)CNc2ccccc2OCC(F)(F)F)cc1 ZINC001253060923 1039389052 /nfs/dbraw/zinc/38/90/52/1039389052.db2.gz JLKOGCBFLWGEAT-MRXNPFEDSA-N 0 0 399.409 3.668 20 10 GHCDRN COCCc1ccc(OC[C@@H](O)CNc2ccccc2OCC(F)(F)F)cc1 ZINC001253060921 1039389383 /nfs/dbraw/zinc/38/93/83/1039389383.db2.gz JLKOGCBFLWGEAT-INIZCTEOSA-N 0 0 399.409 3.668 20 10 GHCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@@H]1CCC12CN(C(=O)OC(C)(C)C)C2 ZINC001233497960 1039393292 /nfs/dbraw/zinc/39/32/92/1039393292.db2.gz SGDQUGWIXMDWDY-GOSISDBHSA-N 0 0 391.464 3.859 20 10 GHCDRN C[C@@H]1C[C@H](Oc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CCO1 ZINC001233519580 1039406759 /nfs/dbraw/zinc/40/67/59/1039406759.db2.gz RNTZKTWNKSNTTF-VQIMIIECSA-N 0 0 376.497 3.690 20 10 GHCDRN COC(C[C@H](C)Oc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1)OC ZINC001233519063 1039407421 /nfs/dbraw/zinc/40/74/21/1039407421.db2.gz OKORAEXDCNPIBQ-INIZCTEOSA-N 0 0 394.512 3.520 20 10 GHCDRN COC(=O)c1ccc(CN2CCc3c(c4cc(OC)ccc4n3C)C2)cc1OC ZINC001233525524 1039412156 /nfs/dbraw/zinc/41/21/56/1039412156.db2.gz FGVSICLQURTMTD-UHFFFAOYSA-N 0 0 394.471 3.540 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(C[C@H](O)CCOCc2ccccc2)C1 ZINC001253275118 1039521162 /nfs/dbraw/zinc/52/11/62/1039521162.db2.gz OJUCOXMSRJCBJS-LJQANCHMSA-N 0 0 394.515 3.513 20 10 GHCDRN Oc1c(CN2CC3(CCN3Cc3ccccc3)C2)cccc1OC(F)(F)F ZINC001233761354 1039596483 /nfs/dbraw/zinc/59/64/83/1039596483.db2.gz SIGKSLKIXGVARX-UHFFFAOYSA-N 0 0 378.394 3.751 20 10 GHCDRN CC[N@@H+](Cc1ccccc1O)C[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC001253427547 1039623395 /nfs/dbraw/zinc/62/33/95/1039623395.db2.gz RVUPKXKXWHJPEC-FQEVSTJZSA-N 0 0 385.504 3.730 20 10 GHCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H]1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001234473804 1040057509 /nfs/dbraw/zinc/05/75/09/1040057509.db2.gz KFBBTCZYWUQMAW-YVEFUNNKSA-N 0 0 379.453 3.715 20 10 GHCDRN CC(=O)c1cc(O)c(O)cc1O[C@H]1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001234474380 1040057779 /nfs/dbraw/zinc/05/77/79/1040057779.db2.gz RRQSRYHSNKVDMO-RXVVDRJESA-N 0 0 391.464 3.859 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC001234480063 1040065197 /nfs/dbraw/zinc/06/51/97/1040065197.db2.gz KOOVQDMBPFHNBB-YADHBBJMSA-N 0 0 379.504 3.958 20 10 GHCDRN CCc1ccc2oc(-c3ccc(O)c(O)c3)c(OC3CN(C(C)C)C3)c(=O)c2c1 ZINC001234678136 1040210312 /nfs/dbraw/zinc/21/03/12/1040210312.db2.gz VNIVKFYSDFBRBE-UHFFFAOYSA-N 0 0 395.455 3.905 20 10 GHCDRN CC1(C)CC[C@@H](COc2c(O)c(=O)cc3[nH]c(-c4ccccc4)cc(O)c2-3)O1 ZINC001234678469 1040210568 /nfs/dbraw/zinc/21/05/68/1040210568.db2.gz APAYKLZWPRTHRD-AWEZNQCLSA-N 0 0 381.428 3.943 20 10 GHCDRN CC[C@H](NC(=O)N[C@@H](C)c1cc(OC)ccc1O)c1cccc(OC)c1OC ZINC001254444737 1040235832 /nfs/dbraw/zinc/23/58/32/1040235832.db2.gz LRXKDBFFSIROBS-GUYCJALGSA-N 0 0 388.464 3.930 20 10 GHCDRN CC(C)NC(=O)c1noc2c1CN(Cc1cccc(-c3ccccc3)c1O)CC2 ZINC001234994254 1040488435 /nfs/dbraw/zinc/48/84/35/1040488435.db2.gz DVHAFNFBVOXPHL-UHFFFAOYSA-N 0 0 391.471 3.744 20 10 GHCDRN Oc1c(C[N@@H+]2CCCn3cnc(Cn4cccn4)c3C2)cccc1-c1ccccc1 ZINC001234996282 1040490038 /nfs/dbraw/zinc/49/00/38/1040490038.db2.gz ZHMHPUCBPPGTNE-UHFFFAOYSA-N 0 0 399.498 3.906 20 10 GHCDRN Cc1cnccc1O[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC001235074464 1040564079 /nfs/dbraw/zinc/56/40/79/1040564079.db2.gz HXKKDPHDZJVFIO-CQSZACIVSA-N 0 0 381.245 3.651 20 10 GHCDRN CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1cc(F)cc(Br)c1[O-])C2 ZINC001235302394 1040774609 /nfs/dbraw/zinc/77/46/09/1040774609.db2.gz PYDYMPCQTOWEGV-GOSISDBHSA-N 0 0 399.304 3.661 20 10 GHCDRN COCCOc1ccc(N2CCN(Cc3cnc(OC(C)C)cc3C)CC2)cc1 ZINC001235433016 1040934835 /nfs/dbraw/zinc/93/48/35/1040934835.db2.gz ORPGLCLKVYSCPW-UHFFFAOYSA-N 0 0 399.535 3.525 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001255905336 1041388394 /nfs/dbraw/zinc/38/83/94/1041388394.db2.gz MSMMEYAPXGIIDH-INIZCTEOSA-N 0 0 384.480 3.996 20 10 GHCDRN CC[C@@H]1[N@H+](Cc2cc(C)cc(Br)c2[O-])CCC[C@]12CCC(=O)N2C ZINC001236664155 1041812522 /nfs/dbraw/zinc/81/25/22/1041812522.db2.gz CUKAMRJWKINPMM-LPHOPBHVSA-N 0 0 395.341 3.829 20 10 GHCDRN Cc1cc(Br)c(O)c(CN2CC(C)(CNC(=O)OC(C)(C)C)C2)c1 ZINC001236669180 1041816447 /nfs/dbraw/zinc/81/64/47/1041816447.db2.gz HJSZCBGXVAYPDQ-UHFFFAOYSA-N 0 0 399.329 3.810 20 10 GHCDRN CCc1noc(C2CC[NH+](Cc3cc(C)cc(Br)c3[O-])CC2)n1 ZINC001236669710 1041817222 /nfs/dbraw/zinc/81/72/22/1041817222.db2.gz QWOAIYHXNLQNTR-UHFFFAOYSA-N 0 0 380.286 3.788 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH+]2CCC(Oc3ncncc3C)CC2)c1 ZINC001236671069 1041818812 /nfs/dbraw/zinc/81/88/12/1041818812.db2.gz SBKUQXROAKNDPL-UHFFFAOYSA-N 0 0 392.297 3.605 20 10 GHCDRN COc1cc(CN2CCc3ccc(C(C)=O)cc3C2)c(O)cc1Br ZINC001236756599 1041875268 /nfs/dbraw/zinc/87/52/68/1041875268.db2.gz LYTLXMDTNVKKGE-UHFFFAOYSA-N 0 0 390.277 3.924 20 10 GHCDRN Cc1ccnc(O[C@@H]2CCCN(Cc3cc(O)c(Br)cc3O)C2)c1 ZINC001236763646 1041878963 /nfs/dbraw/zinc/87/89/63/1041878963.db2.gz BURNHLNDULQBNM-CQSZACIVSA-N 0 0 393.281 3.607 20 10 GHCDRN C[C@H]1CN(Cc2cc(O)c(Br)cc2O)[C@@H](c2ccccc2)CO1 ZINC001236766391 1041879959 /nfs/dbraw/zinc/87/99/59/1041879959.db2.gz YZYBJOLYQCXUGG-BLLLJJGKSA-N 0 0 378.266 3.822 20 10 GHCDRN O=C(c1ccccc1)C1CCN(Cc2cc(O)c(Br)cc2O)CC1 ZINC001236773213 1041883155 /nfs/dbraw/zinc/88/31/55/1041883155.db2.gz PWAJFUSNDWDLMF-UHFFFAOYSA-N 0 0 390.277 3.955 20 10 GHCDRN O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)N(Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001236796026 1041900977 /nfs/dbraw/zinc/90/09/77/1041900977.db2.gz MWELPRGKLDWCNQ-AAEUAGOBSA-N 0 0 381.259 3.639 20 10 GHCDRN COc1ccc(C[N@@H+]2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)c([O-])c1Cl ZINC001236800990 1041902987 /nfs/dbraw/zinc/90/29/87/1041902987.db2.gz BACQLBIOWOGPCR-LJQANCHMSA-N 0 0 382.888 3.640 20 10 GHCDRN COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c([O-])c1Cl ZINC001236803296 1041904928 /nfs/dbraw/zinc/90/49/28/1041904928.db2.gz YXESFZPJXCVDFV-IHRRRGAJSA-N 0 0 382.888 3.542 20 10 GHCDRN COc1cc(O)c(CN2CCN(c3nccc4ccccc43)CC2)c(Cl)c1 ZINC001236802712 1041905114 /nfs/dbraw/zinc/90/51/14/1041905114.db2.gz KHPVURQQTFUSML-UHFFFAOYSA-N 0 0 383.879 3.925 20 10 GHCDRN COc1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)c([O-])c1Cl ZINC001236803517 1041905870 /nfs/dbraw/zinc/90/58/70/1041905870.db2.gz VADPOIFBMYCCIJ-CQSZACIVSA-N 0 0 384.904 3.933 20 10 GHCDRN COc1cc(O)c(CN2CCN(C(=O)c3cccc(Cl)c3)CC2)c(Cl)c1 ZINC001236807756 1041908509 /nfs/dbraw/zinc/90/85/09/1041908509.db2.gz IOJUVKHIVGBOPP-UHFFFAOYSA-N 0 0 395.286 3.666 20 10 GHCDRN COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C(N)=O)c2ccccc2)c([O-])c1Cl ZINC001236807864 1041909063 /nfs/dbraw/zinc/90/90/63/1041909063.db2.gz UKQOGMSOMAFTAP-AEFFLSMTSA-N 0 0 388.895 3.678 20 10 GHCDRN COc1ccc(C[NH+]2CCC(N(C)C(=O)c3ccccc3)CC2)c([O-])c1Cl ZINC001236809872 1041910300 /nfs/dbraw/zinc/91/03/00/1041910300.db2.gz OUCBLAHKVAOWDH-UHFFFAOYSA-N 0 0 388.895 3.791 20 10 GHCDRN COc1ccc(C[N@@H+]2CCC[C@H](c3noc(C(F)(F)F)n3)C2)c([O-])c1Cl ZINC001236812175 1041912396 /nfs/dbraw/zinc/91/23/96/1041912396.db2.gz SOBVZAHQVADKEI-JTQLQIEISA-N 0 0 391.777 3.836 20 10 GHCDRN CC(C)(C)OC(=O)[C@@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236926533 1041961514 /nfs/dbraw/zinc/96/15/14/1041961514.db2.gz IHNBUPQRSQTRNS-IBGZPJMESA-N 0 0 394.943 3.873 20 10 GHCDRN COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(C(C)C)cc1O ZINC001237045354 1042004965 /nfs/dbraw/zinc/00/49/65/1042004965.db2.gz JIXJOTPQSVEYFR-SFHVURJKSA-N 0 0 378.513 3.583 20 10 GHCDRN CC(C)c1ccc(CN2Cc3c(cnn3C)[C@H](COc3cccnc3)C2)c(O)c1 ZINC001237052297 1042010575 /nfs/dbraw/zinc/01/05/75/1042010575.db2.gz SZSFFRWEKUNMTM-IBGZPJMESA-N 0 0 392.503 3.823 20 10 GHCDRN Cc1ccn2cc(CN(C)Cc3ccc(OCC(F)(F)F)cc3O)nc2c1 ZINC001237061479 1042016182 /nfs/dbraw/zinc/01/61/82/1042016182.db2.gz GGDJRWCZGDQEGP-UHFFFAOYSA-N 0 0 379.382 3.921 20 10 GHCDRN COc1cc(O)c(CN2CC(Oc3ccccc3F)C2)c(Br)c1 ZINC001237070800 1042021558 /nfs/dbraw/zinc/02/15/58/1042021558.db2.gz PKRDBAPEGBRMDO-UHFFFAOYSA-N 0 0 382.229 3.566 20 10 GHCDRN O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2Cc1c(O)ccc(Cl)c1Cl ZINC001237080094 1042025270 /nfs/dbraw/zinc/02/52/70/1042025270.db2.gz JXTSQGCKRZJIJY-KGLIPLIRSA-N 0 0 398.315 3.645 20 10 GHCDRN Oc1ccc(Cl)c(Cl)c1CN1CCCn2c(Cn3cccc3)nnc2C1 ZINC001237080437 1042027072 /nfs/dbraw/zinc/02/70/72/1042027072.db2.gz MBWKDEUGYXIUPP-UHFFFAOYSA-N 0 0 392.290 3.546 20 10 GHCDRN COC(=O)[C@H]1[C@H](c2ccccc2)OCCN1Cc1c(O)ccc(Cl)c1Cl ZINC001237086580 1042029705 /nfs/dbraw/zinc/02/97/05/1042029705.db2.gz MNCGXPMSOJEHKJ-MSOLQXFVSA-N 0 0 396.270 3.814 20 10 GHCDRN Oc1cccc(OC(F)(F)F)c1CN1Cc2cnn(-c3ccccc3)c2C1 ZINC001237114104 1042045673 /nfs/dbraw/zinc/04/56/73/1042045673.db2.gz HLDKFAXBGZBWFR-UHFFFAOYSA-N 0 0 375.350 3.992 20 10 GHCDRN Oc1ccc(F)c(Cl)c1CN1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001237121048 1042048769 /nfs/dbraw/zinc/04/87/69/1042048769.db2.gz IJLZQXMVBHVZMR-RPVQJOFSSA-N 0 0 392.858 3.638 20 10 GHCDRN CCOC[C@@H]1CN(Cc2c(O)ccc(F)c2Cl)Cc2c1cnn2CC1CC1 ZINC001237123221 1042050676 /nfs/dbraw/zinc/05/06/76/1042050676.db2.gz IWTKZCRGHOKFEP-AWEZNQCLSA-N 0 0 393.890 3.927 20 10 GHCDRN Oc1ccc(F)c(Cl)c1CN1CCN(Cc2ccncc2)c2ncccc2C1 ZINC001237124840 1042052474 /nfs/dbraw/zinc/05/24/74/1042052474.db2.gz OGXMMNJVSJBDIQ-UHFFFAOYSA-N 0 0 398.869 3.997 20 10 GHCDRN COC(=O)[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2O)C[C@H]1c1ccccc1 ZINC001237140319 1042060995 /nfs/dbraw/zinc/06/09/95/1042060995.db2.gz DXWAIBUJEHXGRS-DLBZAZTESA-N 0 0 379.378 3.800 20 10 GHCDRN O=C1NCCN(Cc2cc(C(F)(F)F)ccc2O)[C@H]1c1ccc(Cl)cc1 ZINC001237146040 1042063912 /nfs/dbraw/zinc/06/39/12/1042063912.db2.gz PTVACALSLSVWDF-INIZCTEOSA-N 0 0 384.785 3.738 20 10 GHCDRN [O-]c1cc(Br)cc(F)c1CN1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237309895 1042138663 /nfs/dbraw/zinc/13/86/63/1042138663.db2.gz BCPOCGMWSOAVFT-UHFFFAOYSA-N 0 0 391.284 3.888 20 10 GHCDRN Cc1cccc(O)c1CN1[C@@H](C(F)(F)F)[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC001237485476 1042228558 /nfs/dbraw/zinc/22/85/58/1042228558.db2.gz PIZKMVLHBIAQIP-DUVNUKRYSA-N 0 0 386.414 3.825 20 10 GHCDRN CCOC(=O)c1ncn2c1CN(Cc1cc(-c3ccc(F)cc3)ccc1O)CC2 ZINC001237641163 1042299721 /nfs/dbraw/zinc/29/97/21/1042299721.db2.gz NLQJXGNOMRAHQN-UHFFFAOYSA-N 0 0 395.434 3.587 20 10 GHCDRN CN(Cc1cnc(Cl)s1)Cc1cccc(I)c1O ZINC001237775377 1042363854 /nfs/dbraw/zinc/36/38/54/1042363854.db2.gz FSUNZWITSRVHPM-UHFFFAOYSA-N 0 0 394.665 3.739 20 10 GHCDRN COc1ccc2c(c1)CN(Cc1cccc(I)c1O)C2 ZINC001237779404 1042365740 /nfs/dbraw/zinc/36/57/40/1042365740.db2.gz GCDLNHYPYZKMBU-UHFFFAOYSA-N 0 0 381.213 3.521 20 10 GHCDRN [O-]c1c(CN2CC[NH+](CC3CC3)CC2)cc(Br)cc1C(F)(F)F ZINC001237781217 1042366635 /nfs/dbraw/zinc/36/66/35/1042366635.db2.gz KYTVBZWGYMCYEI-UHFFFAOYSA-N 0 0 393.247 3.701 20 10 GHCDRN C[C@]1(O)CCCC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2[O-])C1 ZINC001237783495 1042367505 /nfs/dbraw/zinc/36/75/05/1042367505.db2.gz JIPBWIUUZATHRD-AWEZNQCLSA-N 0 0 382.220 3.910 20 10 GHCDRN CC[NH2+]Cc1cccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])c1 ZINC001237793823 1042373232 /nfs/dbraw/zinc/37/32/32/1042373232.db2.gz CJZFFBVPTZVCRZ-UHFFFAOYSA-N 0 0 375.277 3.609 20 10 GHCDRN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001237801598 1042377406 /nfs/dbraw/zinc/37/74/06/1042377406.db2.gz WGJNLWBZTMOLPT-MLGOLLRUSA-N 0 0 381.904 3.738 20 10 GHCDRN O=C1Nc2c(cccc2F)C12CC[NH+](Cc1cc(F)c(Cl)cc1[O-])CC2 ZINC001237936637 1042428119 /nfs/dbraw/zinc/42/81/19/1042428119.db2.gz KSFNBTATIVRIRK-UHFFFAOYSA-N 0 0 378.806 3.810 20 10 GHCDRN CO[C@H](CN1CCN(Cc2cc(F)c(Cl)cc2O)CC1)c1ccccc1 ZINC001237939441 1042429382 /nfs/dbraw/zinc/42/93/82/1042429382.db2.gz DFSOYTJUYOLELJ-HXUWFJFHSA-N 0 0 378.875 3.690 20 10 GHCDRN CCOC[C@@H]1CN(Cc2cc(F)c(Cl)cc2O)Cc2cn(CC3CC3)nc21 ZINC001237938591 1042429535 /nfs/dbraw/zinc/42/95/35/1042429535.db2.gz KXPAJAFQPJEQFV-INIZCTEOSA-N 0 0 393.890 3.927 20 10 GHCDRN Oc1cc(Cl)c(F)cc1CN1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001237938601 1042429550 /nfs/dbraw/zinc/42/95/50/1042429550.db2.gz LCOLTXURLLDGAW-DFQSSKMNSA-N 0 0 392.858 3.528 20 10 GHCDRN CC(C)(C)OC(=O)NC[C@@]1(F)CCN(Cc2cc(F)c(Cl)cc2O)C1 ZINC001237941648 1042431518 /nfs/dbraw/zinc/43/15/18/1042431518.db2.gz ZYTYULJXVSYULF-KRWDZBQOSA-N 0 0 376.831 3.623 20 10 GHCDRN Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)c1O ZINC001238062043 1042479161 /nfs/dbraw/zinc/47/91/61/1042479161.db2.gz SQBDLRHWDRWSHP-OAQYLSRUSA-N 0 0 390.405 3.747 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)c2cc(C)ccc2Br)cc1 ZINC001278289230 1042775163 /nfs/dbraw/zinc/77/51/63/1042775163.db2.gz WWJXDZRXIVHYFV-UHFFFAOYSA-N 0 0 391.309 3.975 20 10 GHCDRN Cc1c(C)n(Cc2ccccc2)c2ncnc(-c3cncc(S(C)(=O)=O)c3)c12 ZINC001239694746 1042845641 /nfs/dbraw/zinc/84/56/41/1042845641.db2.gz YSQJRHBMELAQGQ-UHFFFAOYSA-N 0 0 392.484 3.562 20 10 GHCDRN COC(=O)c1cnc(-c2cn(Cc3ccc(OC)cc3)nc2C)c2ccn(C)c21 ZINC001240654573 1042947699 /nfs/dbraw/zinc/94/76/99/1042947699.db2.gz NKCODBGXDRUPQI-UHFFFAOYSA-N 0 0 390.443 3.589 20 10 GHCDRN C[C@@H]1[C@H](C)[S@@](=O)CCN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000736627818 1043144451 /nfs/dbraw/zinc/14/44/51/1043144451.db2.gz HOQJUNFMMPXBRE-RSJDLPBQSA-N 0 0 384.505 3.882 20 10 GHCDRN O=C(Cc1nc(C2CCCCC2)cs1)NCc1ccc(N2CCOCC2)cc1 ZINC001292066193 1043580914 /nfs/dbraw/zinc/58/09/14/1043580914.db2.gz QFIDYUOMUXSWHJ-UHFFFAOYSA-N 0 0 399.560 3.886 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1cn2ccsc2n1 ZINC001292119589 1043598387 /nfs/dbraw/zinc/59/83/87/1043598387.db2.gz GIXNMLJGNHSPKK-UHFFFAOYSA-N 0 0 378.457 3.546 20 10 GHCDRN CC[C@H](Cn1c(C2CC2)nnc1N(C)Cc1ccc(N2CCCC2)cc1)OC ZINC001292209859 1043629966 /nfs/dbraw/zinc/62/99/66/1043629966.db2.gz LYDKSAPHDWZGEN-HXUWFJFHSA-N 0 0 383.540 3.817 20 10 GHCDRN COCCCOc1cccc(C(=O)NCc2ccc3c(c2)CCCN3C)c1C ZINC001292213837 1043631131 /nfs/dbraw/zinc/63/11/31/1043631131.db2.gz AHZPEVAPZJYDMO-UHFFFAOYSA-N 0 0 382.504 3.723 20 10 GHCDRN Cc1cc(O)ccc1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC001292383134 1043712628 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Cc1noc(CSc2ccccc2C(=O)NCc2cc(Cl)ccc2O)n1 ZINC001469874780 1068442208 /nfs/dbraw/zinc/44/22/08/1068442208.db2.gz PKPDYACWOPGMFW-UHFFFAOYSA-N 0 0 389.864 3.959 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCc1cccc2c1OCCCO2 ZINC001478171604 1078752025 /nfs/dbraw/zinc/75/20/25/1078752025.db2.gz VIVYKTVFBIJUTB-KRWDZBQOSA-N 0 0 397.519 3.653 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1 ZINC001470253909 1068648342 /nfs/dbraw/zinc/64/83/42/1068648342.db2.gz BKTJQLUPHDQMNH-UHFFFAOYSA-N 0 0 396.487 3.924 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)c1 ZINC001470257104 1068649142 /nfs/dbraw/zinc/64/91/42/1068649142.db2.gz DSCHJUYLHGRGSW-QGZVFWFLSA-N 0 0 382.460 3.856 20 10 GHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnc2cc[nH]c2c1 ZINC001361063114 1068758646 /nfs/dbraw/zinc/75/86/46/1068758646.db2.gz KPPDBTYKNGKLQS-CQSZACIVSA-N 0 0 386.402 3.563 20 10 GHCDRN COc1ccc(N(CC(=O)NCc2cc(Cl)ccc2OC)CC2CC2)cc1 ZINC001460131509 1068800005 /nfs/dbraw/zinc/80/00/05/1068800005.db2.gz RAQVQVSVOXPPQB-UHFFFAOYSA-N 0 0 388.895 3.890 20 10 GHCDRN CN(CCOc1ccccc1F)C(=O)CN(C)c1ccc(-c2nccs2)cc1 ZINC001460209341 1068862277 /nfs/dbraw/zinc/86/22/77/1068862277.db2.gz SQDLSGHCSODBTE-UHFFFAOYSA-N 0 0 399.491 3.923 20 10 GHCDRN CC(=O)c1cc(Cl)cc(CN2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1O ZINC001460233715 1068875804 /nfs/dbraw/zinc/87/58/04/1068875804.db2.gz MOALRKBTFURUOZ-SUMWQHHRSA-N 0 0 394.899 3.689 20 10 GHCDRN C[C@@H]1CN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)(C)C1 ZINC001460705855 1069104060 /nfs/dbraw/zinc/10/40/60/1069104060.db2.gz FZONKSOISVPQAJ-AWEZNQCLSA-N 0 0 376.456 3.521 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N3CCc4cccc(Cl)c4C3)C2)cc1 ZINC001470593594 1072639778 /nfs/dbraw/zinc/63/97/78/1072639778.db2.gz NJTMFGKTNQYKKQ-INIZCTEOSA-N 0 0 399.922 3.943 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001470873523 1072783170 /nfs/dbraw/zinc/78/31/70/1072783170.db2.gz MWQDTFMDMPRBRI-OAHLLOKOSA-N 0 0 389.521 3.895 20 10 GHCDRN Cc1cc(CNC(=O)Cn2c(=O)[nH]c3ccccc32)c(C)n1-c1cccc(C)c1 ZINC001471014673 1072883965 /nfs/dbraw/zinc/88/39/65/1072883965.db2.gz VLUMURPKKLSTIU-UHFFFAOYSA-N 0 0 388.471 3.774 20 10 GHCDRN Cc1cc(CNC(=O)c2cn(C)nc2-c2ccncc2)c(C)n1-c1ccccc1 ZINC001471017757 1072887058 /nfs/dbraw/zinc/88/70/58/1072887058.db2.gz NCJHDMAKXBQULT-UHFFFAOYSA-N 0 0 385.471 3.820 20 10 GHCDRN CC[C@H](NC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C)[C@H](O)C(F)(F)F ZINC001471034626 1072894567 /nfs/dbraw/zinc/89/45/67/1072894567.db2.gz NHJABOYKLIXCTK-ROUUACIJSA-N 0 0 397.441 3.904 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)N[C@H]2c3ccccc3OC[C@H]2F)C2CC2)cc1 ZINC001471330456 1073021279 /nfs/dbraw/zinc/02/12/79/1073021279.db2.gz PKDLWWSRFBOHCJ-CTNGQTDRSA-N 0 0 383.467 3.898 20 10 GHCDRN COC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC001471575805 1073143547 /nfs/dbraw/zinc/14/35/47/1073143547.db2.gz OORNBEHIWSITAU-INIZCTEOSA-N 0 0 396.821 3.770 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2COC[C@@H]2C)c(C)n1-c1ccccc1Br ZINC001471992866 1073295672 /nfs/dbraw/zinc/29/56/72/1073295672.db2.gz BILMAAGFOHRLLJ-ZBEGNZNMSA-N 0 0 377.282 3.621 20 10 GHCDRN CC1(C)OC(=O)c2ccccc2[C@@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001472085591 1073329199 /nfs/dbraw/zinc/32/91/99/1073329199.db2.gz WMUKIRTVRCRKEQ-HXUWFJFHSA-N 0 0 375.424 3.894 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@H](c3cnn(C)c3)C(C)C)c2C)cc1 ZINC001472208128 1073371798 /nfs/dbraw/zinc/37/17/98/1073371798.db2.gz IHSDALGONBNESH-NRFANRHFSA-N 0 0 380.492 3.963 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCOC1CCSCC1 ZINC001472270987 1073392158 /nfs/dbraw/zinc/39/21/58/1073392158.db2.gz ASRNWAGCOMWNKB-UHFFFAOYSA-N 0 0 386.517 3.549 20 10 GHCDRN CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)C1=CC(=O)CS1)CC2 ZINC001472339669 1073433156 /nfs/dbraw/zinc/43/31/56/1073433156.db2.gz GBRMQAPWZDJBKR-MRXNPFEDSA-N 0 0 394.537 3.951 20 10 GHCDRN Cc1cc(CNC(=O)N2CCO[C@](C)(C(F)F)C2)c(C)n1-c1cccc(C)c1 ZINC001479100453 1079102449 /nfs/dbraw/zinc/10/24/49/1079102449.db2.gz UEYLFZNEVFAYQN-NRFANRHFSA-N 0 0 391.462 3.968 20 10 GHCDRN Cc1cc(CNC(=O)N2CCC[C@H](C3OCCO3)C2)c(C)n1-c1cccc(C)c1 ZINC001479099818 1079102546 /nfs/dbraw/zinc/10/25/46/1079102546.db2.gz PNYFWUQENGOIRY-IBGZPJMESA-N 0 0 397.519 3.697 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC001472648667 1073594789 /nfs/dbraw/zinc/59/47/89/1073594789.db2.gz IWUYNFQCGRGTSV-UHFFFAOYSA-N 0 0 380.460 3.920 20 10 GHCDRN O=[N+]([O-])c1cncc(Cl)c1N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001472712628 1073630961 /nfs/dbraw/zinc/63/09/61/1073630961.db2.gz IQTOHVGCZRQPQB-NSHDSACASA-N 0 0 398.797 3.747 20 10 GHCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)cc1OC ZINC001472808375 1073674923 /nfs/dbraw/zinc/67/49/23/1073674923.db2.gz PPCMDHDEWCJSTL-AWEZNQCLSA-N 0 0 394.468 3.950 20 10 GHCDRN O=C(N[C@@H]1CCOc2ccc(Br)cc21)N1Cc2cccc(O)c2C1 ZINC001479308440 1079176710 /nfs/dbraw/zinc/17/67/10/1079176710.db2.gz SBCFMPZXGLHTOL-OAHLLOKOSA-N 0 0 389.249 3.704 20 10 GHCDRN COc1ccc(N2CCN(Cc3csc(Br)c3)CC2)cc1F ZINC001473269950 1073900236 /nfs/dbraw/zinc/90/02/36/1073900236.db2.gz MAPUBQJALQAFDD-UHFFFAOYSA-N 0 0 385.302 3.981 20 10 GHCDRN COc1ccc(COCC[NH2+]Cc2cc(Br)cc(F)c2[O-])cc1 ZINC001474093577 1074261906 /nfs/dbraw/zinc/26/19/06/1074261906.db2.gz SXPQLMVFVHCJQR-UHFFFAOYSA-N 0 0 384.245 3.609 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]CCOC1CCSCC1 ZINC001474291334 1074327764 /nfs/dbraw/zinc/32/77/64/1074327764.db2.gz NTLMXERNQQXPNA-UHFFFAOYSA-N 0 0 380.735 3.810 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC001474391992 1074381945 /nfs/dbraw/zinc/38/19/45/1074381945.db2.gz REOZHAKRXHFOHY-QGZVFWFLSA-N 0 0 384.220 3.526 20 10 GHCDRN COc1ccc(OCC[N@H+](C)Cc2cc(Br)cc(F)c2[O-])cc1 ZINC001474407313 1074392693 /nfs/dbraw/zinc/39/26/93/1074392693.db2.gz QEGSNWVFXVUKSI-UHFFFAOYSA-N 0 0 384.245 3.813 20 10 GHCDRN CCOc1ccc(N2CCN(S(=O)(=O)C3=Cc4ccccc4CC3)CC2)cc1 ZINC001475158361 1074762365 /nfs/dbraw/zinc/76/23/65/1074762365.db2.gz BCGPVKQKSGOAEO-UHFFFAOYSA-N 0 0 398.528 3.524 20 10 GHCDRN O=S(=O)(NCc1c(O)cccc1F)c1ccc(SC(F)(F)F)cc1 ZINC001475706988 1075004179 /nfs/dbraw/zinc/00/41/79/1075004179.db2.gz LFCJNAVCQDMZEC-UHFFFAOYSA-N 0 0 381.372 3.622 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)CCCC1 ZINC001546249142 1079432831 /nfs/dbraw/zinc/43/28/31/1079432831.db2.gz AZQBYJMUOXXEAJ-KNQAVFIVSA-N 0 0 398.547 3.784 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)c2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000737330302 598311613 /nfs/dbraw/zinc/31/16/13/598311613.db2.gz NDNUGNSOXFSCHZ-UHFFFAOYSA-N 0 0 390.422 3.690 20 10 GHCDRN CCCCN(C(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C)C1CC1 ZINC000736451855 598610030 /nfs/dbraw/zinc/61/00/30/598610030.db2.gz PXGIVMMVFVPRNH-UHFFFAOYSA-N 0 0 378.480 3.679 20 10 GHCDRN Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737227957 598610630 /nfs/dbraw/zinc/61/06/30/598610630.db2.gz RBGGXFNBUQFFDC-VLIAUNLRSA-N 0 0 392.507 3.925 20 10 GHCDRN Cc1cc(C(=O)Nc2cc(C)ccc2F)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737345940 598610884 /nfs/dbraw/zinc/61/08/84/598610884.db2.gz XULFQOFTIRTMMM-UHFFFAOYSA-N 0 0 390.422 3.974 20 10 GHCDRN Cc1cc(C(=O)N(C)c2cccc(C)c2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737397006 598612296 /nfs/dbraw/zinc/61/22/96/598612296.db2.gz QHKVEJJQKHMISA-UHFFFAOYSA-N 0 0 386.459 3.859 20 10 GHCDRN Cc1cc(C(=O)N2[C@@H](C)CCC[C@@H]2C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737232888 598689087 /nfs/dbraw/zinc/68/90/87/598689087.db2.gz AAFXJGJAISOAJJ-KBPBESRZSA-N 0 0 378.480 3.677 20 10 GHCDRN O=C1C(=Cc2ccc(-c3nn[nH]n3)o2)SC(=S)N1c1ccccc1Cl ZINC000823504490 599310151 /nfs/dbraw/zinc/31/01/51/599310151.db2.gz QVTLFOMTBCMUJS-KPKJPENVSA-N 0 0 389.849 3.519 20 10 GHCDRN Cc1cc(C(=O)Nc2ccc(O)cc2C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000822210877 599379303 /nfs/dbraw/zinc/37/93/03/599379303.db2.gz UOPUZQYHRHRKNW-UHFFFAOYSA-N 0 0 388.431 3.541 20 10 GHCDRN C[C@@H]1C[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CC[C@@H]1NC(=O)[O-] ZINC000739185252 603399018 /nfs/dbraw/zinc/39/90/18/603399018.db2.gz OTSSNSPVSRURQE-BZNIZROVSA-N 0 0 393.281 3.786 20 10 GHCDRN C[C@@H](c1ccccc1)N1C(=O)C(=Cc2cc(-c3nn[nH]n3)cs2)SC1=S ZINC000820570503 606335849 /nfs/dbraw/zinc/33/58/49/606335849.db2.gz KXKNWSZBJFAIDV-WULZRQGASA-N 0 0 399.526 3.891 20 10 GHCDRN CCc1ccccc1N1C(=O)C(=Cc2ccc(-c3nn[nH]n3)s2)SC1=S ZINC000821496936 606394008 /nfs/dbraw/zinc/39/40/08/606394008.db2.gz LPXPOIJZDFCZPD-NTEUORMPSA-N 0 0 399.526 3.896 20 10 GHCDRN CCC(=O)N1CC[C@@H](NC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)C1 ZINC000255083957 837705935 /nfs/dbraw/zinc/70/59/35/837705935.db2.gz KKNYQBAWBXRTMM-QGZVFWFLSA-N 0 0 393.491 3.909 20 10 GHCDRN CSc1nnc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)s1 ZINC000275598923 837769364 /nfs/dbraw/zinc/76/93/64/837769364.db2.gz FKSKILATVTUXDL-UHFFFAOYSA-N 0 0 391.566 3.592 20 10 GHCDRN Cc1ccc(C)c(OCCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000216589852 834510097 /nfs/dbraw/zinc/51/00/97/834510097.db2.gz YLVQLKSYTUSKIE-HXUWFJFHSA-N 0 0 383.488 3.986 20 10 GHCDRN CCn1cc(-c2n[nH]cc2C(=O)N2C[C@H](C(C)C)Cc3cc(OC)ccc32)cn1 ZINC000584404351 834534293 /nfs/dbraw/zinc/53/42/93/834534293.db2.gz GSVNTSNYBUEWMG-MRXNPFEDSA-N 0 0 393.491 3.777 20 10 GHCDRN CC(C)c1nccn1Cc1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000128793683 834752337 /nfs/dbraw/zinc/75/23/37/834752337.db2.gz SDFVGFBSBWALGC-UHFFFAOYSA-N 0 0 394.475 3.830 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000097371452 835053648 /nfs/dbraw/zinc/05/36/48/835053648.db2.gz XEEFAUWDILVOON-GOSISDBHSA-N 0 0 397.485 3.910 20 10 GHCDRN COc1ccc(C[N@H+](C)Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])cc1 ZINC000728193844 835090735 /nfs/dbraw/zinc/09/07/35/835090735.db2.gz DRNKUUSYXPYKDL-UHFFFAOYSA-N 0 0 377.440 3.969 20 10 GHCDRN COc1c([O-])c(C[N@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000278493294 835222751 /nfs/dbraw/zinc/22/27/51/835222751.db2.gz LXXQALQGAPCOAQ-AEFFLSMTSA-N 0 0 390.411 3.800 20 10 GHCDRN CC(C)COc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000052682781 835241663 /nfs/dbraw/zinc/24/16/63/835241663.db2.gz JWKCWYRIDJVSFN-UHFFFAOYSA-N 0 0 395.503 3.577 20 10 GHCDRN COc1c([O-])c(C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)ccc1[N+](=O)[O-] ZINC000278565179 835416195 /nfs/dbraw/zinc/41/61/95/835416195.db2.gz BTSSRCHWHNUNAL-LBPRGKRZSA-N 0 0 385.420 3.508 20 10 GHCDRN O=S1(=O)CC[C@H](N(Cc2ccccc2F)Cc2c(O)ccc3ccccc32)C1 ZINC000176990743 835435889 /nfs/dbraw/zinc/43/58/89/835435889.db2.gz QRIPAUGWIRLROW-SFHVURJKSA-N 0 0 399.487 3.874 20 10 GHCDRN CC[C@H](C)N(C)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000255719410 835672904 /nfs/dbraw/zinc/67/29/04/835672904.db2.gz UVNLBXFXBRSXJG-SEVUAYLXSA-N 0 0 382.576 3.986 20 10 GHCDRN COCCn1ccc2ccc(NC(=O)N[C@H](C)c3cc(OC)ccc3O)cc21 ZINC000179446150 835720301 /nfs/dbraw/zinc/72/03/01/835720301.db2.gz LVAPAHUQLRNRLT-CQSZACIVSA-N 0 0 383.448 3.885 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc2c(c1)CC(=O)N2C ZINC000278706254 835845669 /nfs/dbraw/zinc/84/56/69/835845669.db2.gz KGIFHHJXRQPGFF-UHFFFAOYSA-N 0 0 380.492 3.714 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000471229049 836038160 /nfs/dbraw/zinc/03/81/60/836038160.db2.gz ZNJOJFCGPJVNCT-GOSISDBHSA-N 0 0 398.551 3.571 20 10 GHCDRN Cc1nnc(-c2cccc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)c2)o1 ZINC000177153704 836073409 /nfs/dbraw/zinc/07/34/09/836073409.db2.gz FWNIZVUYNBXDRH-LJQANCHMSA-N 0 0 393.443 3.572 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C1CCC(NC(=O)C(C)(C)C)CC1 ZINC000471236650 836114882 /nfs/dbraw/zinc/11/48/82/836114882.db2.gz WVQDPGWRRDPOPA-UHFFFAOYSA-N 0 0 383.536 3.824 20 10 GHCDRN COc1ccc(N2CCN(C(=O)/C=C/c3ccnc4ccccc34)CC2)cc1F ZINC000177279951 836241987 /nfs/dbraw/zinc/24/19/87/836241987.db2.gz VMISTRNMFDTXOI-RMKNXTFCSA-N 0 0 391.446 3.745 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)C(C)(C)c3ccc(OC)cc3)CC2)cc1 ZINC000178090232 836242887 /nfs/dbraw/zinc/24/28/87/836242887.db2.gz ZDPGCRPVOUXVKA-UHFFFAOYSA-N 0 0 382.504 3.720 20 10 GHCDRN CN(C)c1ccc(CN2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1F ZINC000276956859 844144129 /nfs/dbraw/zinc/14/41/29/844144129.db2.gz OVJDOPZQNJOXSM-IBGZPJMESA-N 0 0 388.487 3.896 20 10 GHCDRN O=C1/C(=C/c2cnc(-c3ccccc3)nc2)SC(=S)N1c1cccnc1 ZINC000053103558 836307709 /nfs/dbraw/zinc/30/77/09/836307709.db2.gz GVIGUOXJNPAWBY-SXGWCWSVSA-N 0 0 376.466 3.944 20 10 GHCDRN CC(=O)c1cc(Cl)cc(CN2CCC(OC[C@H]3CCCCO3)CC2)c1O ZINC000177584344 836838141 /nfs/dbraw/zinc/83/81/41/836838141.db2.gz PKHUYHDVKHATCL-GOSISDBHSA-N 0 0 381.900 3.798 20 10 GHCDRN CC(=O)N[C@@H](C(=O)OCC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C)C(C)C ZINC000023553010 836997039 /nfs/dbraw/zinc/99/70/39/836997039.db2.gz GMQUHTJBWFDAII-JOCHJYFZSA-N 0 0 398.503 3.598 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NC[C@H](C[C@@H](C)O)c2ccccc2)cc1 ZINC000177783831 837205060 /nfs/dbraw/zinc/20/50/60/837205060.db2.gz LJFFVDAHLJULNM-NQIIRXRSSA-N 0 0 383.536 3.887 20 10 GHCDRN CCn1c(CCNC(=O)NCCCSc2nccs2)nc2ccccc21 ZINC000177802532 837224398 /nfs/dbraw/zinc/22/43/98/837224398.db2.gz LUSMGAMNADAVPD-UHFFFAOYSA-N 0 0 389.550 3.537 20 10 GHCDRN CCCCc1nc(COC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)no1 ZINC000728639675 837294087 /nfs/dbraw/zinc/29/40/87/837294087.db2.gz RXFZUKLFWXQLEI-UHFFFAOYSA-N 0 0 385.464 3.987 20 10 GHCDRN COc1ccc(N2CCN(Cc3ccc(Oc4cnccn4)cc3)CC2)cc1F ZINC000180551792 837364874 /nfs/dbraw/zinc/36/48/74/837364874.db2.gz OCFROTCVZVDTLU-UHFFFAOYSA-N 0 0 394.450 3.739 20 10 GHCDRN CC[C@@H](Oc1cccc(C)c1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000175812232 837878045 /nfs/dbraw/zinc/87/80/45/837878045.db2.gz YVBBMUSZHDCMBA-JOCHJYFZSA-N 0 0 382.504 3.648 20 10 GHCDRN O=C1/C(=C\c2ccc(Br)o2)SC(=S)N1CCc1cccnc1 ZINC000255112761 837944468 /nfs/dbraw/zinc/94/44/68/837944468.db2.gz JAUZPRDSNPGJLL-XYOKQWHBSA-N 0 0 395.303 3.881 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(Br)nc2C)c1 ZINC000181351138 837992096 /nfs/dbraw/zinc/99/20/96/837992096.db2.gz ZZSFKHUPBQGTHX-SECBINFHSA-N 0 0 380.242 3.749 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)CCc2ccc3c(c2)OCO3)c1 ZINC000728951666 844303945 /nfs/dbraw/zinc/30/39/45/844303945.db2.gz KFDWNFKXGRHDKN-KGLIPLIRSA-N 0 0 386.448 3.511 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000066698516 838323966 /nfs/dbraw/zinc/32/39/66/838323966.db2.gz WEBVNJIUAXFQDK-UHFFFAOYSA-N 0 0 378.476 3.742 20 10 GHCDRN CCc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)cnn1-c1ccc(F)cc1 ZINC000024570102 838377445 /nfs/dbraw/zinc/37/74/45/838377445.db2.gz QJUOKWKLBBVGQT-UHFFFAOYSA-N 0 0 380.467 3.912 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3c(OC)cccc3C(F)F)C2)cc1 ZINC000892686016 838400880 /nfs/dbraw/zinc/40/08/80/838400880.db2.gz WSWSDLZCSNTART-ZDUSSCGKSA-N 0 0 376.403 3.650 20 10 GHCDRN C[C@H](CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)Cn1cccn1 ZINC000255162957 838675726 /nfs/dbraw/zinc/67/57/26/838675726.db2.gz GZVDKRVPUXIPOC-MRXNPFEDSA-N 0 0 390.447 3.690 20 10 GHCDRN Cc1cc(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000181224339 838747518 /nfs/dbraw/zinc/74/75/18/838747518.db2.gz LYSGMVOPKNLSQO-GOSISDBHSA-N 0 0 393.531 3.958 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)c2cc3c(s2)CCCC3)cc1 ZINC000045442441 838833016 /nfs/dbraw/zinc/83/30/16/838833016.db2.gz QXCKFLFBKSFWSX-UHFFFAOYSA-N 0 0 386.517 3.508 20 10 GHCDRN O=C(Nc1cccc(/C=C2\SC(N3CCCCC3)=NC2=O)c1)C(F)(F)F ZINC000045667856 838858894 /nfs/dbraw/zinc/85/88/94/838858894.db2.gz BZAPMMQPDGLGSS-RAXLEYEMSA-N 0 0 383.395 3.644 20 10 GHCDRN CCS[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000175899926 838891577 /nfs/dbraw/zinc/89/15/77/838891577.db2.gz GFECDGWPCJCXKV-UYAOXDASSA-N 0 0 391.581 3.729 20 10 GHCDRN COc1ccc(CN(C)C(=O)CSc2ncc(-c3ccccc3)n2C)cc1F ZINC000023292460 844389908 /nfs/dbraw/zinc/38/99/08/844389908.db2.gz YMONSVDJGBQYDG-UHFFFAOYSA-N 0 0 399.491 3.986 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000047351677 839078095 /nfs/dbraw/zinc/07/80/95/839078095.db2.gz JPSDBXAQEAEGRW-UHFFFAOYSA-N 0 0 375.856 3.546 20 10 GHCDRN C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1cc(Br)cc(F)c1[O-] ZINC000363862292 839312377 /nfs/dbraw/zinc/31/23/77/839312377.db2.gz YOJOBGBJLPMIOI-LLVKDONJSA-N 0 0 391.244 3.725 20 10 GHCDRN Cn1ccc([C@@H](NCc2ccc(N3CCOCC3)cc2)c2ccc(Cl)cc2)n1 ZINC000363868891 839351963 /nfs/dbraw/zinc/35/19/63/839351963.db2.gz SMJBVXCAFYBZJR-QFIPXVFZSA-N 0 0 396.922 3.789 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)NC[C@](C)(O)c3ccc(F)cc3)c2C)cc1 ZINC000759981417 839430550 /nfs/dbraw/zinc/43/05/50/839430550.db2.gz XDWOMXYWZAQLII-QHCPKHFHSA-N 0 0 396.462 3.879 20 10 GHCDRN Cc1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(Cl)c1C ZINC000783038145 839758546 /nfs/dbraw/zinc/75/85/46/839758546.db2.gz MGRJPSZXFOSBRR-QGZVFWFLSA-N 0 0 399.922 3.589 20 10 GHCDRN CCOc1ccc(CNC(=O)NCc2c(C)c3ccccc3n2C)cc1OC ZINC000471599851 839873669 /nfs/dbraw/zinc/87/36/69/839873669.db2.gz WXEHXXNISHPYMD-UHFFFAOYSA-N 0 0 381.476 3.893 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1COc2ccccc21 ZINC000175841940 840115990 /nfs/dbraw/zinc/11/59/90/840115990.db2.gz KSWSLDNPNQYIJT-OAHLLOKOSA-N 0 0 376.250 3.679 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)c1c(C)noc1C ZINC000175843843 840147693 /nfs/dbraw/zinc/14/76/93/840147693.db2.gz AVEAYZGHMSSANE-SNVBAGLBSA-N 0 0 381.270 3.912 20 10 GHCDRN Cc1c(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cnn1-c1cc(C)ccc1C ZINC000193965782 840216228 /nfs/dbraw/zinc/21/62/28/840216228.db2.gz PYBJSXJCVCCLQI-OAHLLOKOSA-N 0 0 394.475 3.961 20 10 GHCDRN Cc1cccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1Br ZINC000194006109 840222670 /nfs/dbraw/zinc/22/26/70/840222670.db2.gz HAPHHZYDSJBCOP-NSHDSACASA-N 0 0 379.254 3.921 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NCc3ccc4ncccc4c3)CC2)cc1 ZINC000194138689 840245617 /nfs/dbraw/zinc/24/56/17/840245617.db2.gz FCXCKLFDHKURKJ-UHFFFAOYSA-N 0 0 390.487 3.712 20 10 GHCDRN Cc1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000123962540 840333377 /nfs/dbraw/zinc/33/33/77/840333377.db2.gz TYZHHMUKLLOSDX-KRWDZBQOSA-N 0 0 385.420 3.822 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000194944344 840377916 /nfs/dbraw/zinc/37/79/16/840377916.db2.gz KDJPHJVTHIGFHZ-LEWJYISDSA-N 0 0 383.467 3.658 20 10 GHCDRN Oc1c(Br)cccc1CNc1nc2ccc(Br)cn2n1 ZINC000195050760 840394828 /nfs/dbraw/zinc/39/48/28/840394828.db2.gz ZJQRSMXUWWZGQZ-UHFFFAOYSA-N 0 0 398.058 3.572 20 10 GHCDRN O=C1/C(=C\c2cnn(Cc3ccc(F)cc3)c2)SC(=S)N1c1cccnc1 ZINC000186965310 840553356 /nfs/dbraw/zinc/55/33/56/840553356.db2.gz AJRDNVBSBZHGPP-CAOOACKPSA-N 0 0 396.472 3.871 20 10 GHCDRN CCOC(CCNC(=O)NCc1ccc(N2CCC(C)CC2)cc1)OCC ZINC000276028315 840720372 /nfs/dbraw/zinc/72/03/72/840720372.db2.gz CUTPIDNLVGUHDV-UHFFFAOYSA-N 0 0 377.529 3.511 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000277050544 844585616 /nfs/dbraw/zinc/58/56/16/844585616.db2.gz CJHDURBEYYQROS-IBGZPJMESA-N 0 0 394.475 3.989 20 10 GHCDRN CCO[C@H]1C[C@@H](N(C)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1(C)C ZINC000178640036 844586369 /nfs/dbraw/zinc/58/63/69/844586369.db2.gz PBSZNUJHYARUPH-UXHICEINSA-N 0 0 389.540 3.509 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000588403931 840940842 /nfs/dbraw/zinc/94/08/42/840940842.db2.gz JXEDVTLNLHXOTQ-SDQBBNPISA-N 0 0 380.444 3.766 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1nc(-c2ccc3c(c2)CCO3)cs1 ZINC000588405018 840993120 /nfs/dbraw/zinc/99/31/20/840993120.db2.gz GTNMSZPHBKYDQJ-KXFIGUGUSA-N 0 0 380.425 3.808 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2sc(-c3ncccn3)nc2C)cc1F ZINC000066841162 840997246 /nfs/dbraw/zinc/99/72/46/840997246.db2.gz FSHMHNXRPXLCIF-UHFFFAOYSA-N 0 0 399.495 3.824 20 10 GHCDRN O=C1c2ccccc2N[C@@H](c2cc(O)cc(Br)c2O)N1C1CC1 ZINC000124694604 841015859 /nfs/dbraw/zinc/01/58/59/841015859.db2.gz OHYLOERLKWOADV-MRXNPFEDSA-N 0 0 375.222 3.589 20 10 GHCDRN C[C@@H](NC(=O)NCCCOC1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000068550117 841125231 /nfs/dbraw/zinc/12/52/31/841125231.db2.gz XNSXINXUOHWXKU-GOSISDBHSA-N 0 0 389.540 3.623 20 10 GHCDRN Cc1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1N(C)C ZINC000124985562 841146131 /nfs/dbraw/zinc/14/61/31/841146131.db2.gz JHTHSEJPAMOATF-IBGZPJMESA-N 0 0 383.492 3.980 20 10 GHCDRN C[C@H](CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccncc1 ZINC000160889939 841267204 /nfs/dbraw/zinc/26/72/04/841267204.db2.gz OXFNZASHJRNCJA-NVXWUHKLSA-N 0 0 389.446 3.962 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(C(F)(F)F)c1F ZINC000176001804 841296747 /nfs/dbraw/zinc/29/67/47/841296747.db2.gz HTHCSEWEOFMFDD-UHFFFAOYSA-N 0 0 396.384 3.953 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1 ZINC000072084076 841461476 /nfs/dbraw/zinc/46/14/76/841461476.db2.gz QNHVZAZXHPRGFA-UHFFFAOYSA-N 0 0 396.466 3.931 20 10 GHCDRN O=C(NCc1ccc(C2CC2)cc1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000191352935 841517588 /nfs/dbraw/zinc/51/75/88/841517588.db2.gz RVNCCRZZSDHKFX-UHFFFAOYSA-N 0 0 393.531 3.772 20 10 GHCDRN C[C@@H](CCC(C)(C)C)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000077796997 841680444 /nfs/dbraw/zinc/68/04/44/841680444.db2.gz XMFSRQHKAOBEAS-KRWDZBQOSA-N 0 0 375.557 3.909 20 10 GHCDRN CCn1cnnc1-c1cccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1 ZINC000025283611 841773308 /nfs/dbraw/zinc/77/33/08/841773308.db2.gz DFVRCORMAKPJCW-UHFFFAOYSA-N 0 0 386.415 3.781 20 10 GHCDRN NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(C(F)F)c(F)c3)c2)CC1 ZINC000933327082 841781485 /nfs/dbraw/zinc/78/14/85/841781485.db2.gz PGPQBDXFCMWQGO-UHFFFAOYSA-N 0 0 391.393 3.717 20 10 GHCDRN COc1c(O)c(CNc2cccc(C[S@@](=O)C(C)(C)C)c2)ccc1[N+](=O)[O-] ZINC000278939781 842337374 /nfs/dbraw/zinc/33/73/74/842337374.db2.gz XMJULRPXJQNVAQ-HHHXNRCGSA-N 0 0 392.477 3.968 20 10 GHCDRN COCC1(O)CCN(C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)CC1 ZINC000759968914 842361379 /nfs/dbraw/zinc/36/13/79/842361379.db2.gz FQYDUFQPOYDLCC-UHFFFAOYSA-N 0 0 384.520 3.831 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccc(OCC2CC2)nc1 ZINC000471758015 842368005 /nfs/dbraw/zinc/36/80/05/842368005.db2.gz KSKTZJQDEMEQAN-UHFFFAOYSA-N 0 0 378.476 3.670 20 10 GHCDRN CC(C)CCn1c(=O)c2ccccc2nc1SCC(=O)c1ccc(O)c(O)c1 ZINC000023938792 842514450 /nfs/dbraw/zinc/51/44/50/842514450.db2.gz YHRZEEQKRDKUPN-UHFFFAOYSA-N 0 0 398.484 3.829 20 10 GHCDRN NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2ccc(F)cc2F)c1 ZINC000728836003 842604645 /nfs/dbraw/zinc/60/46/45/842604645.db2.gz RFOFYVGTOQQTEC-UHFFFAOYSA-N 0 0 395.409 3.709 20 10 GHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)Cc2ccc3c(c2)CCO3)cc1 ZINC000728839676 842704741 /nfs/dbraw/zinc/70/47/41/842704741.db2.gz VZBHOMNXLRAYAF-UHFFFAOYSA-N 0 0 392.421 3.821 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Oc2ccccc2)o1 ZINC000176116192 843430880 /nfs/dbraw/zinc/43/08/80/843430880.db2.gz LPYCSTXCNIXEKO-UHFFFAOYSA-N 0 0 396.418 3.978 20 10 GHCDRN COc1ccccc1OCCNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000731047990 861417734 /nfs/dbraw/zinc/41/77/34/861417734.db2.gz BKDYMMWJFGOLBX-UHFFFAOYSA-N 0 0 397.519 3.810 20 10 GHCDRN COc1ccc(CN(C)[C@H](c2cnn(C)c2)c2cccc(F)c2)c(O)c1OC ZINC000891871637 843481938 /nfs/dbraw/zinc/48/19/38/843481938.db2.gz SENLVDLWTDLLBA-IBGZPJMESA-N 0 0 385.439 3.503 20 10 GHCDRN Cc1cc(C(=O)NCCCNC(=O)OC(C)(C)C)c(C)n1-c1ccc(F)cc1 ZINC000728874089 843503773 /nfs/dbraw/zinc/50/37/73/843503773.db2.gz ADYNENRDBQWTIO-UHFFFAOYSA-N 0 0 389.471 3.878 20 10 GHCDRN 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CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)NCc1ccccc1O ZINC000769001793 873766060 /nfs/dbraw/zinc/76/60/60/873766060.db2.gz QMDJPCUSZDRBCR-IAGOWNOFSA-N 0 0 376.497 3.872 20 10 GHCDRN CNc1nc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cs1 ZINC000769058581 873792402 /nfs/dbraw/zinc/79/24/02/873792402.db2.gz XFSBCMZKUUFYCJ-UHFFFAOYSA-N 0 0 387.436 3.771 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000769239275 873914542 /nfs/dbraw/zinc/91/45/42/873914542.db2.gz USIIQCMOERXPAO-NQIIRXRSSA-N 0 0 391.581 3.729 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1cnn(-c2cccnc2)c1 ZINC001197585049 873926141 /nfs/dbraw/zinc/92/61/41/873926141.db2.gz AQJMWSTZDYQYEI-HXUWFJFHSA-N 0 0 376.460 3.643 20 10 GHCDRN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000775779113 873956261 /nfs/dbraw/zinc/95/62/61/873956261.db2.gz SIYVNWOCDGYTMG-QKKBWIMNSA-N 0 0 386.467 3.986 20 10 GHCDRN O=C(c1ccccc1SCc1ccco1)N1CCS[C@@H]2COCC[C@H]21 ZINC000769347142 873990205 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CCN(CC)c1ccc(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000921281357 882805742 /nfs/dbraw/zinc/80/57/42/882805742.db2.gz PIBVMFSFLQILJD-UHFFFAOYSA-N 0 0 393.447 3.557 20 10 GHCDRN CN(C)c1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccc(N)cc3)cc2)nc1 ZINC001198135661 874226150 /nfs/dbraw/zinc/22/61/50/874226150.db2.gz ADLLWJKWXMZHRQ-UHFFFAOYSA-N 0 0 390.447 3.626 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1coc(C2CCOCC2)n1 ZINC000769675297 874226700 /nfs/dbraw/zinc/22/67/00/874226700.db2.gz PMWNCEZUCORDNJ-UHFFFAOYSA-N 0 0 383.492 3.831 20 10 GHCDRN COc1ccc(N2CCC(Nc3nn4c(C)nnc4c4ccccc43)CC2)cc1 ZINC000804414183 882808333 /nfs/dbraw/zinc/80/83/33/882808333.db2.gz CGLGHVPXTBYKFV-UHFFFAOYSA-N 0 0 388.475 3.675 20 10 GHCDRN CCn1nc(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)c2ccccc21 ZINC000769724050 874253536 /nfs/dbraw/zinc/25/35/36/874253536.db2.gz SFPXAZNFCZJKDV-AQTBWJFISA-N 0 0 394.525 3.895 20 10 GHCDRN CCS(=O)(=O)c1ccc2oc(CN[C@H](C)c3ccc(N(C)C)cc3)nc2c1 ZINC000775826129 874268690 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XSSPETWUSJSIHJ-UHFFFAOYSA-N 0 0 379.254 3.931 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC(c2nc(C)cc(C)n2)C1 ZINC000913614971 874993239 /nfs/dbraw/zinc/99/32/39/874993239.db2.gz TWZMJEMBJUHCGU-UHFFFAOYSA-N 0 0 388.471 3.553 20 10 GHCDRN CC(C)CNc1cc(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)ncn1 ZINC001199445515 874997643 /nfs/dbraw/zinc/99/76/43/874997643.db2.gz IRDCDFYCDUSKAM-UHFFFAOYSA-N 0 0 375.476 3.974 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn(Cc2ccc(OC)cc2)cn1 ZINC001199483038 875020219 /nfs/dbraw/zinc/02/02/19/875020219.db2.gz ZRNDUQFVDZHLNR-UHFFFAOYSA-N 0 0 392.503 3.668 20 10 GHCDRN Cc1sc2nnn(CN(C)Cc3ccc(N4CCCCC4)cc3)c(=O)c2c1C ZINC000771155667 875055472 /nfs/dbraw/zinc/05/54/72/875055472.db2.gz SJTLIZVYKGADSF-UHFFFAOYSA-N 0 0 397.548 3.550 20 10 GHCDRN C[C@@H]1CN(c2ccc(NCc3c(O)cccc3Br)cc2)CCO1 ZINC000858152461 882890558 /nfs/dbraw/zinc/89/05/58/882890558.db2.gz REJLIPCVRNBFGI-CYBMUJFWSA-N 0 0 377.282 3.992 20 10 GHCDRN O=C(NCc1ccccc1O)c1cc(C(F)(F)F)nn1Cc1ccccc1 ZINC001199599933 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O=C(C=C1CCSCC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000771683783 875377583 /nfs/dbraw/zinc/37/75/83/875377583.db2.gz LSEZUELLAKMRKX-HNNXBMFYSA-N 0 0 382.476 3.826 20 10 GHCDRN Cc1cc(C(=O)NCC(C)(C)CO)c(C)n1-c1ccc(Br)cc1 ZINC000771676427 875413749 /nfs/dbraw/zinc/41/37/49/875413749.db2.gz HAPIIRBUGZSGIL-UHFFFAOYSA-N 0 0 379.298 3.605 20 10 GHCDRN Cc1cc(C2(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)CCOCC2)on1 ZINC000858201991 882935083 /nfs/dbraw/zinc/93/50/83/882935083.db2.gz GMJPVBCZUVKZKV-UHFFFAOYSA-N 0 0 397.519 3.680 20 10 GHCDRN CCOc1ccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1F ZINC000771908263 875548272 /nfs/dbraw/zinc/54/82/72/875548272.db2.gz JCBXSPNODUGYBA-UHFFFAOYSA-N 0 0 378.787 3.552 20 10 GHCDRN Cc1cccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)c1Br ZINC000771933115 875556874 /nfs/dbraw/zinc/55/68/74/875556874.db2.gz GGGYGFPMTFUIET-UHFFFAOYSA-N 0 0 397.338 3.644 20 10 GHCDRN COCCOc1ccc(N2CCN(C(=S)Nc3cc(C)cc(C)c3)CC2)cc1 ZINC001201202759 875558951 /nfs/dbraw/zinc/55/89/51/875558951.db2.gz LSHSSFJTSWRXBI-UHFFFAOYSA-N 0 0 399.560 3.848 20 10 GHCDRN COc1ccc([C@@H](OC)[C@H](C)NC(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000772076351 875655602 /nfs/dbraw/zinc/65/56/02/875655602.db2.gz RHEOZOIBEKKTRF-AOMKIAJQSA-N 0 0 397.519 3.653 20 10 GHCDRN COc1ccc([C@@H](OC)[C@@H](C)NC(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000772077987 875657097 /nfs/dbraw/zinc/65/70/97/875657097.db2.gz ZZXNRLBKNOVDDM-IERDGZPVSA-N 0 0 385.508 3.645 20 10 GHCDRN Cc1cccc2c(CCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)c[nH]c21 ZINC000151606053 875663646 /nfs/dbraw/zinc/66/36/46/875663646.db2.gz OGGMZUKMCMXQAW-UHFFFAOYSA-N 0 0 395.478 3.701 20 10 GHCDRN CCOc1ccc2c(c1)[C@H](NC(=O)NCCCSc1nccs1)CCO2 ZINC000776160189 875665987 /nfs/dbraw/zinc/66/59/87/875665987.db2.gz AIICLNNSRGQPCR-OAHLLOKOSA-N 0 0 393.534 3.847 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2ccc(N)c(Cl)n2)c(C)n1-c1ccccc1 ZINC000772073177 875692693 /nfs/dbraw/zinc/69/26/93/875692693.db2.gz CMQPOIOIJANHFB-UHFFFAOYSA-N 0 0 383.835 3.764 20 10 GHCDRN Cc1cc(C)c(CNS(=O)(=O)c2ccc(Oc3ccncc3)cc2)c(O)c1 ZINC001201638501 875779669 /nfs/dbraw/zinc/77/96/69/875779669.db2.gz PVTIWADHUNIWQB-UHFFFAOYSA-N 0 0 384.457 3.675 20 10 GHCDRN O=S(=O)(Nc1cc(F)c(O)cc1F)c1ccc(Oc2ccncc2)cc1 ZINC001201622358 875797613 /nfs/dbraw/zinc/79/76/13/875797613.db2.gz GGIJHCDUWWIZPA-UHFFFAOYSA-N 0 0 378.356 3.659 20 10 GHCDRN CC[C@@H](NC(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1c(C)noc1C ZINC000179392479 882967089 /nfs/dbraw/zinc/96/70/89/882967089.db2.gz ILYICLGZDIZXEI-LJQANCHMSA-N 0 0 386.496 3.673 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)c1 ZINC000772453152 875945068 /nfs/dbraw/zinc/94/50/68/875945068.db2.gz MRICPDDTDNZGOL-LLVKDONJSA-N 0 0 391.855 3.639 20 10 GHCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+][C@@H]1CCCSC1 ZINC000776230950 875955033 /nfs/dbraw/zinc/95/50/33/875955033.db2.gz CMZAZYROGVJFDP-SNVBAGLBSA-N 0 0 381.133 3.902 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000804522041 882984007 /nfs/dbraw/zinc/98/40/07/882984007.db2.gz 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CO[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000776257641 876051708 /nfs/dbraw/zinc/05/17/08/876051708.db2.gz ZLYSCUIDTUASLH-RNCFNFMXSA-N 0 0 393.119 3.822 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2CCCc3[nH]c(=O)ccc32)c1 ZINC000858266232 882990415 /nfs/dbraw/zinc/99/04/15/882990415.db2.gz ULSAWNDSIINMTM-OAQYLSRUSA-N 0 0 389.455 3.815 20 10 GHCDRN O=C(NCCCSc1nccs1)NCc1coc(-c2cccs2)n1 ZINC000151885914 876063852 /nfs/dbraw/zinc/06/38/52/876063852.db2.gz ZLKVHQCKAMVAJU-UHFFFAOYSA-N 0 0 380.520 3.841 20 10 GHCDRN COc1cc(NC(C)=O)ccc1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001202271990 876078936 /nfs/dbraw/zinc/07/89/36/876078936.db2.gz UXQGZTYPMZPWPF-UHFFFAOYSA-N 0 0 396.491 3.916 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)c1 ZINC000785550211 876102806 /nfs/dbraw/zinc/10/28/06/876102806.db2.gz YATOVWURVLBISK-KRWDZBQOSA-N 0 0 395.341 3.876 20 10 GHCDRN CN(C)c1ccc(CNC(=O)Nc2cc(-c3cc(F)cc(F)c3)nn2C)cc1 ZINC000772669225 876141840 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390.413 3.998 20 10 GHCDRN COC(=O)c1ccc(NC(=O)NCc2cc(Br)ccc2O)cc1C ZINC000806257465 884509499 /nfs/dbraw/zinc/50/94/99/884509499.db2.gz YRWJULOLOJSMHM-UHFFFAOYSA-N 0 0 393.237 3.571 20 10 GHCDRN Cc1cc(C(=O)Cn2cnc3ncccc3c2=O)c(C)n1-c1ccc2c(c1)CCC2 ZINC000914684993 884516731 /nfs/dbraw/zinc/51/67/31/884516731.db2.gz VBUIDPZBHYTSEW-UHFFFAOYSA-N 0 0 398.466 3.571 20 10 GHCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cn3c(n2)CCC3)cc1 ZINC000843793982 884558550 /nfs/dbraw/zinc/55/85/50/884558550.db2.gz JXCVZZHREQCDTN-UHFFFAOYSA-N 0 0 390.487 3.751 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC[C@H]([C@@H]3CCOC3)C2)ccc1C ZINC000860342568 884579018 /nfs/dbraw/zinc/57/90/18/884579018.db2.gz UGJOOVSJVFRWIP-VQTJNVASSA-N 0 0 380.488 3.714 20 10 GHCDRN Cc1ccc(CO[C@@H](C)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000860346488 884582799 /nfs/dbraw/zinc/58/27/99/884582799.db2.gz BLRAHXTVVCKVBW-GHTZIAJQSA-N 0 0 383.488 3.814 20 10 GHCDRN Cn1ccc(CCC(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)n1 ZINC000795800531 912843835 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COc1ccc(/C=C2\SC(=S)N(CCCSC)C2=O)c(C)c1OC ZINC000806548772 884776239 /nfs/dbraw/zinc/77/62/39/884776239.db2.gz IWWWWXNYSONVHW-UVTDQMKNSA-N 0 0 383.560 3.967 20 10 GHCDRN Cc1ccnc(C)c1NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000806534590 884793655 /nfs/dbraw/zinc/79/36/55/884793655.db2.gz GCVAMWYMAZBYOC-GJZGRUSLSA-N 0 0 386.471 3.773 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H]2CCO[C@H](C(C)C)C2)cc1 ZINC000860573244 884817499 /nfs/dbraw/zinc/81/74/99/884817499.db2.gz OCDGUOIGYAOEPR-UNMCSNQZSA-N 0 0 382.504 3.769 20 10 GHCDRN Cc1cc(=O)[nH]c(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)n1 ZINC000761863957 884898896 /nfs/dbraw/zinc/89/88/96/884898896.db2.gz LLFRMGRNBYDIQO-INIZCTEOSA-N 0 0 382.489 3.825 20 10 GHCDRN C[C@]1(CNC(=O)NCc2ccc(N3CCOCC3)cc2)CCCc2ccccc21 ZINC000774694356 912879793 /nfs/dbraw/zinc/87/97/93/912879793.db2.gz YRBGSYGXVQGQQC-XMMPIXPASA-N 0 0 393.531 3.617 20 10 GHCDRN Cc1cc(C(=O)O[C@H]2CCS(=O)(=O)C2)c(C)n1-c1cccc(C(C)C)c1 ZINC000747346993 884950253 /nfs/dbraw/zinc/95/02/53/884950253.db2.gz UZCVQZKFOGQPIQ-SFHVURJKSA-N 0 0 375.490 3.561 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H]3c3nc(C)no3)ccc21 ZINC000286755616 912882251 /nfs/dbraw/zinc/88/22/51/912882251.db2.gz XDEDWBNFDUVJML-LJQANCHMSA-N 0 0 382.464 3.573 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCCC[C@H]2c2nc(C)no2)cc1F ZINC000806772692 884966128 /nfs/dbraw/zinc/96/61/28/884966128.db2.gz SRMOHHBHVXUEAS-SFHVURJKSA-N 0 0 389.475 3.800 20 10 GHCDRN CCCCc1nc(C)c(CC(=O)N(C)CCN(C)c2ccc(OC)cc2)s1 ZINC001130745035 884986245 /nfs/dbraw/zinc/98/62/45/884986245.db2.gz NEJLGXLBGGIGQS-UHFFFAOYSA-N 0 0 389.565 3.940 20 10 GHCDRN Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c(Cl)cc1F ZINC000806839306 885050558 /nfs/dbraw/zinc/05/05/58/885050558.db2.gz FIBRSYMWSONEJR-UHFFFAOYSA-N 0 0 389.858 3.643 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)/C=C\c2ccc(Cl)cc2)cc1 ZINC000213350584 885058915 /nfs/dbraw/zinc/05/89/15/885058915.db2.gz UPKNSUSJISVKHM-JYRVWZFOSA-N 0 0 386.879 3.621 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2c(C)cc(OC)c(C)c2C)cc1 ZINC000806852884 885059239 /nfs/dbraw/zinc/05/92/39/885059239.db2.gz FHJIOJHRPLWIRH-UHFFFAOYSA-N 0 0 397.519 3.722 20 10 GHCDRN CCC[C@]1(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCOC1 ZINC000806878881 885079810 /nfs/dbraw/zinc/07/98/10/885079810.db2.gz YGJVUJYMIZSHGV-QRWLVFNGSA-N 0 0 397.466 3.515 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N3CC[C@H](C)[C@@H](n4ccnc4)C3)cc2)CC1 ZINC000153396564 885091768 /nfs/dbraw/zinc/09/17/68/885091768.db2.gz PVOVWJVSVNVALE-UGKGYDQZSA-N 0 0 395.551 3.912 20 10 GHCDRN C[C@H](NC(=O)[C@H](F)[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000860949580 885113953 /nfs/dbraw/zinc/11/39/53/885113953.db2.gz AEBGDBAHHVUPEA-QILLFSRXSA-N 0 0 393.503 3.525 20 10 GHCDRN COC[C@@H](C)n1ccc(NC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)n1 ZINC000861004311 885156196 /nfs/dbraw/zinc/15/61/96/885156196.db2.gz ASFUPZVHDZOUST-OAHLLOKOSA-N 0 0 380.448 3.563 20 10 GHCDRN CNC(=O)C[C@@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1[O-])c1ccccc1 ZINC000795850314 912908021 /nfs/dbraw/zinc/90/80/21/912908021.db2.gz XWVRMZYEXHLXLX-BDJLRTHQSA-N 0 0 395.272 3.822 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3cccc(Oc4ccccn4)c3)C2)cc1 ZINC001130826531 885210793 /nfs/dbraw/zinc/21/07/93/885210793.db2.gz BOOJBIZDMMLLDV-SFHVURJKSA-N 0 0 389.455 3.891 20 10 GHCDRN COc1ccc(O)c(CNS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c1 ZINC000795851816 912910438 /nfs/dbraw/zinc/91/04/38/912910438.db2.gz HGKFMLFBKKZIDZ-UHFFFAOYSA-N 0 0 395.786 3.552 20 10 GHCDRN O=C(CCc1cccc(F)c1F)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000117975830 885234473 /nfs/dbraw/zinc/23/44/73/885234473.db2.gz STOIFGLIBPEXEE-KRWDZBQOSA-N 0 0 375.415 3.811 20 10 GHCDRN CCCN(C(=O)C(=O)NCc1ccc(N(C)C)cc1C)[C@@H]1CCc2ccccc21 ZINC000807100135 885240700 /nfs/dbraw/zinc/24/07/00/885240700.db2.gz KSYXAKOKYMSCIQ-JOCHJYFZSA-N 0 0 393.531 3.603 20 10 GHCDRN CCC(C)(C)[C@@H](C)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC001130880425 885314557 /nfs/dbraw/zinc/31/45/57/885314557.db2.gz YTSVEZDUNAASMI-GFCCVEGCSA-N 0 0 394.427 3.925 20 10 GHCDRN CN(C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C1CCC(C(C)(C)C)CC1 ZINC000807288209 885342910 /nfs/dbraw/zinc/34/29/10/885342910.db2.gz RSAYPOIYFTUOAQ-UHFFFAOYSA-N 0 0 397.563 3.742 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1ccnc(OC(F)F)c1 ZINC000807258197 885347678 /nfs/dbraw/zinc/34/76/78/885347678.db2.gz HMSYCMJOKCPZEM-UHFFFAOYSA-N 0 0 379.407 3.901 20 10 GHCDRN CC(C)CCN(CCC(C)C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807291778 885355264 /nfs/dbraw/zinc/35/52/64/885355264.db2.gz HYSMYRAPUOLYPH-UHFFFAOYSA-N 0 0 385.552 3.600 20 10 GHCDRN CCSCCSCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000760515259 885409063 /nfs/dbraw/zinc/40/90/63/885409063.db2.gz GUGKVWPQNTVZGW-UHFFFAOYSA-N 0 0 385.510 3.887 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000861402691 885468356 /nfs/dbraw/zinc/46/83/56/885468356.db2.gz KUTLOJNGJJVUTH-JOCHJYFZSA-N 0 0 389.455 3.595 20 10 GHCDRN C[C@H](NC(=O)C(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1)c1ccc(N(C)C)cc1 ZINC000807505963 885494665 /nfs/dbraw/zinc/49/46/65/885494665.db2.gz PVHTYEFYBQDFSG-QSFXBCCZSA-N 0 0 397.494 3.521 20 10 GHCDRN CCC(=O)c1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000861435168 885497384 /nfs/dbraw/zinc/49/73/84/885497384.db2.gz CZRWEZVPTUJPOU-UHFFFAOYSA-N 0 0 381.476 3.562 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc2c(c1)COC(=O)N2 ZINC000861473734 885544017 /nfs/dbraw/zinc/54/40/17/885544017.db2.gz OFDDMQYYRJWYBI-UHFFFAOYSA-N 0 0 398.488 3.624 20 10 GHCDRN COc1ccc2c(c1)OC[C@@H](C(=O)N(C)Cc1ccc(N3CCCCC3)cc1)C2 ZINC000747411665 885598064 /nfs/dbraw/zinc/59/80/64/885598064.db2.gz DGYPGYSFOJBYCN-FQEVSTJZSA-N 0 0 394.515 3.895 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@@H]2C[C@H]2c2cccnc2)cc1 ZINC000861518428 885600274 /nfs/dbraw/zinc/60/02/74/885600274.db2.gz XLVVPLWXYSUTLX-REWPJTCUSA-N 0 0 387.483 3.764 20 10 GHCDRN Cc1ccc(CC[C@@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)o1 ZINC000807651624 885610659 /nfs/dbraw/zinc/61/06/59/885610659.db2.gz BUKZLFRCNFVWHD-QGZVFWFLSA-N 0 0 399.535 3.529 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(Oc4cccnc4)cc3)C2)cc1 ZINC001131030388 885619629 /nfs/dbraw/zinc/61/96/29/885619629.db2.gz OZDRMYXLDNMKRT-GOSISDBHSA-N 0 0 389.455 3.891 20 10 GHCDRN CC[C@@H]1c2ccsc2CCN1C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807673652 885623006 /nfs/dbraw/zinc/62/30/06/885623006.db2.gz XITYQGMWKHDAGU-KBXCAEBGSA-N 0 0 385.533 3.527 20 10 GHCDRN C[C@H](NC(=O)C(=O)NCc1ccc(C2CCC2)cc1)c1ccc(N(C)C)cc1 ZINC000807673886 885624670 /nfs/dbraw/zinc/62/46/70/885624670.db2.gz AXSKNKVLZLOGAL-INIZCTEOSA-N 0 0 379.504 3.514 20 10 GHCDRN CC(C)[C@H](c1ccccc1)N(C)C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807674505 885624915 /nfs/dbraw/zinc/62/49/15/885624915.db2.gz MHNVHTBFZJLXGR-DYESRHJHSA-N 0 0 381.520 3.786 20 10 GHCDRN CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807678003 885627930 /nfs/dbraw/zinc/62/79/30/885627930.db2.gz DTNZGVHZNBXPJP-CYBMUJFWSA-N 0 0 393.940 3.693 20 10 GHCDRN CCc1cc(Cl)cnc1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000861602654 885684754 /nfs/dbraw/zinc/68/47/54/885684754.db2.gz AHESMZNQSANNHZ-UHFFFAOYSA-N 0 0 388.899 3.580 20 10 GHCDRN C[C@H](NC(=O)NCCOC1CCCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000118475855 885764547 /nfs/dbraw/zinc/76/45/47/885764547.db2.gz HYVFRNAKGLKWBZ-SFHVURJKSA-N 0 0 389.540 3.623 20 10 GHCDRN CC(=O)NCC[C@H]1CCCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC000807846119 885776158 /nfs/dbraw/zinc/77/61/58/885776158.db2.gz HRASUGNMOIVEJX-HXUWFJFHSA-N 0 0 381.520 3.781 20 10 GHCDRN O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000807836392 885800932 /nfs/dbraw/zinc/80/09/32/885800932.db2.gz VZWPVMWAQXOXTQ-CQSZACIVSA-N 0 0 394.302 3.622 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1cccc2nccn21)c1ccccc1O ZINC001184071570 912975276 /nfs/dbraw/zinc/97/52/76/912975276.db2.gz LODKMGPFVRVFSG-OAHLLOKOSA-N 0 0 396.447 3.635 20 10 GHCDRN Cc1cc(CCNC(=O)CCc2nc(C(C)C)no2)c(C)n1-c1ccccc1 ZINC000915140989 885850852 /nfs/dbraw/zinc/85/08/52/885850852.db2.gz RPTDJWHDFWTYRR-UHFFFAOYSA-N 0 0 380.492 3.892 20 10 GHCDRN Cc1sc(NC(=O)[C@H]2COCCO2)c(C(=O)OC(C)C)c1-c1ccccc1 ZINC000915149779 885877599 /nfs/dbraw/zinc/87/75/99/885877599.db2.gz KUODMMXWVHBSRA-OAHLLOKOSA-N 0 0 389.473 3.643 20 10 GHCDRN CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3cc(C)[nH]n3)c2C)c1 ZINC000919551612 885906881 /nfs/dbraw/zinc/90/68/81/885906881.db2.gz PHXLVZOVEURFJU-UHFFFAOYSA-N 0 0 383.473 3.887 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@H]2CCOC3(CCC3)C2)c1 ZINC000861893471 885965434 /nfs/dbraw/zinc/96/54/34/885965434.db2.gz CHOLIGCLQGWODR-SFHVURJKSA-N 0 0 380.488 3.986 20 10 GHCDRN Cc1cc(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)n(C)n1 ZINC000919586457 885969231 /nfs/dbraw/zinc/96/92/31/885969231.db2.gz BOBUHQLRACAWFS-UHFFFAOYSA-N 0 0 377.404 3.939 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@H]2C[C@@H](C)n3ccnc32)ccc1C ZINC000861916919 885984661 /nfs/dbraw/zinc/98/46/61/885984661.db2.gz WMYKJGFIQHZCRM-KUHUBIRLSA-N 0 0 376.460 3.847 20 10 GHCDRN O=C(/C=C\c1ccc(Br)o1)NCc1ccc(N2CCCC2)cc1 ZINC000915198540 885997960 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COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(F)cc2CSC)c1 ZINC000127169033 894365167 /nfs/dbraw/zinc/36/51/67/894365167.db2.gz FEDNNGFJWYQKRL-LBPRGKRZSA-N 0 0 378.469 3.963 20 10 GHCDRN Cc1nc(NC2CC2)sc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000748040632 894368573 /nfs/dbraw/zinc/36/85/73/894368573.db2.gz MBWZQEQMEYWKGP-MRXNPFEDSA-N 0 0 387.505 3.553 20 10 GHCDRN COc1c(O)c(CN2CCO[C@@H](c3ccccc3Cl)C2)ccc1[N+](=O)[O-] ZINC000774878624 913868757 /nfs/dbraw/zinc/86/87/57/913868757.db2.gz UWDSSVICHFOQAI-MRXNPFEDSA-N 0 0 378.812 3.536 20 10 GHCDRN COCCOc1ccc(N2CCN(Cc3ccc(Cl)c(F)c3)CC2)cc1 ZINC001137654417 894806189 /nfs/dbraw/zinc/80/61/89/894806189.db2.gz PYAKKISRLMWYMH-UHFFFAOYSA-N 0 0 378.875 3.827 20 10 GHCDRN Cc1cc(C(=O)NCc2ccncc2)c(C)n1-c1ccc(Br)cn1 ZINC001135574885 894833032 /nfs/dbraw/zinc/83/30/32/894833032.db2.gz RBCWZRCUIDTTMA-UHFFFAOYSA-N 0 0 385.265 3.577 20 10 GHCDRN Cc1ccccc1C(=O)NC1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816486672 894855151 /nfs/dbraw/zinc/85/51/51/894855151.db2.gz 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COc1c([O-])c(C[N@H+](CCCO)[C@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000774903042 913986851 /nfs/dbraw/zinc/98/68/51/913986851.db2.gz HOPCANNSQDSCBX-SFHVURJKSA-N 0 0 386.448 3.571 20 10 GHCDRN Cc1ccccc1[C@@H]1C[C@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000128423833 895708991 /nfs/dbraw/zinc/70/89/91/895708991.db2.gz NRBFKCWBKBUIBU-XZOQPEGZSA-N 0 0 393.531 3.559 20 10 GHCDRN COc1c(O)c(CN2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774906624 913994642 /nfs/dbraw/zinc/99/46/42/913994642.db2.gz CJCBKTGVIPVNJZ-HNAYVOBHSA-N 0 0 386.448 3.888 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@](C)(c3noc(C)n3)C3CC3)c2C)cc1 ZINC000817631002 895769079 /nfs/dbraw/zinc/76/90/79/895769079.db2.gz KRNZNOXOZJHEBQ-QFIPXVFZSA-N 0 0 394.475 3.849 20 10 GHCDRN COc1c(O)c(CN2CC(OCc3cccc4ccccc43)C2)ccc1[N+](=O)[O-] ZINC000774911463 914012409 /nfs/dbraw/zinc/01/24/09/914012409.db2.gz DNCVAQSZEOAHQE-UHFFFAOYSA-N 0 0 394.427 3.863 20 10 GHCDRN COC[C@H]1CCN1C(=O)c1cc(C)n(-c2ccccc2Br)c1C ZINC000817809946 895898937 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C[C@@H]1CN(c2ccc(CNc3cc(=O)[nH]c4cccnc34)cc2F)C[C@H](C)O1 ZINC000820633675 897428430 /nfs/dbraw/zinc/42/84/30/897428430.db2.gz HKZRELDRDQCBED-OKILXGFUSA-N 0 0 382.439 3.700 20 10 GHCDRN CSCC1(CCNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000820999590 897661343 /nfs/dbraw/zinc/66/13/43/897661343.db2.gz QDBXNWLECKSWSY-QGZVFWFLSA-N 0 0 378.538 3.616 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3ccc(C(F)(F)F)nc3)CC2)cc1F ZINC000132247452 897735329 /nfs/dbraw/zinc/73/53/29/897735329.db2.gz MTHZYSJMLBRTMN-UHFFFAOYSA-N 0 0 398.360 3.602 20 10 GHCDRN CN1CCCc2cc(CNC(=O)CCOc3ccc(F)cc3Cl)ccc21 ZINC000303020591 914202709 /nfs/dbraw/zinc/20/27/09/914202709.db2.gz UGCKTBDWROAXSG-UHFFFAOYSA-N 0 0 376.859 3.947 20 10 GHCDRN CN1CCCc2cc(CNS(=O)(=O)c3ccc(Cl)c(Cl)c3)ccc21 ZINC001185998185 914231987 /nfs/dbraw/zinc/23/19/87/914231987.db2.gz URTXZDJFWNSLFY-UHFFFAOYSA-N 0 0 385.316 3.854 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3cccc(C(F)(F)F)c3N)CC2)cc1 ZINC001136546659 898234867 /nfs/dbraw/zinc/23/48/67/898234867.db2.gz 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ZINC000822593227 898516542 /nfs/dbraw/zinc/51/65/42/898516542.db2.gz VGOXQNPLOCEAGS-ZDUSSCGKSA-N 0 0 379.913 3.736 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1sc(N(C)C)nc1Cl ZINC000822652046 898532156 /nfs/dbraw/zinc/53/21/56/898532156.db2.gz HRTMGLWKGNZGMU-UHFFFAOYSA-N 0 0 380.945 3.979 20 10 GHCDRN CCCCCc1nnc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000043406666 898541167 /nfs/dbraw/zinc/54/11/67/898541167.db2.gz CEPVCNHPGMSQNR-UHFFFAOYSA-N 0 0 389.525 3.634 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3nccc4occc43)cc2F)C[C@H](C)O1 ZINC000822688154 898564615 /nfs/dbraw/zinc/56/46/15/898564615.db2.gz LJSNULFYQIYOAK-OKILXGFUSA-N 0 0 383.423 3.511 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)cc1 ZINC000289615262 914264768 /nfs/dbraw/zinc/26/47/68/914264768.db2.gz BLHMIWPGQGQOFV-SFHVURJKSA-N 0 0 383.496 3.840 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(NC(=O)C(C)(C)C)nc1 ZINC000822809426 898646455 /nfs/dbraw/zinc/64/64/55/898646455.db2.gz VVDLTQLJGKGFIG-UHFFFAOYSA-N 0 0 382.508 3.795 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CC(C)(C)OC(=O)N1CCN(Cc2cccc(F)c2O)[C@H](c2ccncc2)C1 ZINC000800541053 920258436 /nfs/dbraw/zinc/25/84/36/920258436.db2.gz RBKLLUQBZYTASQ-SFHVURJKSA-N 0 0 387.455 3.720 20 10 GHCDRN COCC1(C)CN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1 ZINC000800720387 920393958 /nfs/dbraw/zinc/39/39/58/920393958.db2.gz SGRXFOLUUKYXLK-OAHLLOKOSA-N 0 0 379.932 3.754 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1nnc(CCC2CCCCC2)n1C ZINC000800726464 920399570 /nfs/dbraw/zinc/39/95/70/920399570.db2.gz MTUGFDPBXCCIRK-UHFFFAOYSA-N 0 0 397.567 3.801 20 10 GHCDRN CCc1oc(/C=C2/SC(=S)N(CCCSC)C2=O)cc1C(=O)OC ZINC000800792376 920467663 /nfs/dbraw/zinc/46/76/63/920467663.db2.gz COVFGJNJPNPTIL-UKTHLTGXSA-N 0 0 385.532 3.583 20 10 GHCDRN C[C@H](Sc1ccccc1C(=O)Nc1cccc(N2CCCCC2)c1)C(N)=O ZINC000800860142 920537071 /nfs/dbraw/zinc/53/70/71/920537071.db2.gz OOZKXSOPXJIASO-HNNXBMFYSA-N 0 0 383.517 3.895 20 10 GHCDRN COc1cc2c(cc1F)CC[C@@H]2NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000800998902 920679696 /nfs/dbraw/zinc/67/96/96/920679696.db2.gz 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CO[C@H]1CCC[N@H+](Cc2cc(Br)cc(Br)c2[O-])CC1 ZINC000783602797 931593407 /nfs/dbraw/zinc/59/34/07/931593407.db2.gz MINMSRVQLYIZLM-LBPRGKRZSA-N 0 0 393.119 3.918 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnn([C@@H](C)CC)c1C1CC1 ZINC000784030158 931760871 /nfs/dbraw/zinc/76/08/71/931760871.db2.gz KYLPQPZKZLYSMA-HNNXBMFYSA-N 0 0 398.507 3.814 20 10 GHCDRN CC(C)(C)n1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cn1 ZINC000784059256 931770145 /nfs/dbraw/zinc/77/01/45/931770145.db2.gz IPSVAQLMIJXLAH-UHFFFAOYSA-N 0 0 383.496 3.525 20 10 GHCDRN Cc1cc(C(=O)N(CCO)C2CCC2)c(C)n1-c1cccc(Br)c1 ZINC000784699665 931983044 /nfs/dbraw/zinc/98/30/44/931983044.db2.gz MKZIYGCRDZWDDH-UHFFFAOYSA-N 0 0 391.309 3.844 20 10 GHCDRN Cc1ccc(C(=O)CC(C)(C)CC(=O)OCC(=O)c2ccc(O)c(O)c2)cc1 ZINC000784710761 931985625 /nfs/dbraw/zinc/98/56/25/931985625.db2.gz HHXDKAQSCJKIRC-UHFFFAOYSA-N 0 0 384.428 3.821 20 10 GHCDRN CN(C)c1cccc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000784739869 931995446 /nfs/dbraw/zinc/99/54/46/931995446.db2.gz BMKXPHRGKRSERE-UHFFFAOYSA-N 0 0 387.549 3.564 20 10 GHCDRN CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1Br)c1ccc(F)cc1[O-] ZINC000796832443 932083265 /nfs/dbraw/zinc/08/32/65/932083265.db2.gz PXMORGMRKWSRFH-XJKSGUPXSA-N 0 0 398.272 3.774 20 10 GHCDRN CC[C@@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)c1ccc(F)cc1[O-] ZINC000796973775 932131742 /nfs/dbraw/zinc/13/17/42/932131742.db2.gz AWVSBRLMLFHBRV-GDBMZVCRSA-N 0 0 381.245 3.561 20 10 GHCDRN CC(C)n1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)n1 ZINC000797053982 932162872 /nfs/dbraw/zinc/16/28/72/932162872.db2.gz CQKWNHTXIJCADL-MRXNPFEDSA-N 0 0 391.475 3.779 20 10 GHCDRN COc1ccc(CNC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)c(O)c1 ZINC000797617287 932345189 /nfs/dbraw/zinc/34/51/89/932345189.db2.gz UFSQXHZZVFAERL-HNNXBMFYSA-N 0 0 397.475 3.737 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccnc(Sc2ccccn2)c1 ZINC000797623653 932348375 /nfs/dbraw/zinc/34/83/75/932348375.db2.gz XDZFTVTWGSLVFO-CYBMUJFWSA-N 0 0 396.472 3.792 20 10 GHCDRN 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GHCDRN C[C@@H](NC(=O)Nc1ccc2c(c1)CCC2=O)c1ccc(N2CCOCC2)cc1 ZINC000836712173 1023289407 /nfs/dbraw/zinc/28/94/07/1023289407.db2.gz GAQPROFBQAJSBZ-OAHLLOKOSA-N 0 0 379.460 3.535 20 10 GHCDRN CCc1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1OC ZINC000836752240 1023339267 /nfs/dbraw/zinc/33/92/67/1023339267.db2.gz QPJXUYCOAKOSNT-UHFFFAOYSA-N 0 0 397.519 3.788 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(CS(=O)(=O)CC)cc1 ZINC000836775247 1023358627 /nfs/dbraw/zinc/35/86/27/1023358627.db2.gz ZNPRLCBBRBGQFS-UHFFFAOYSA-N 0 0 390.505 3.771 20 10 GHCDRN Cc1ccc(C(=O)N2CC[C@H](c3cccc(Br)c3)C2)c(O)c1O ZINC000836840070 1023401411 /nfs/dbraw/zinc/40/14/11/1023401411.db2.gz NUEHSEIMHMAWLX-ZDUSSCGKSA-N 0 0 376.250 3.798 20 10 GHCDRN Cc1ccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(C)n1 ZINC000755850238 1023402228 /nfs/dbraw/zinc/40/22/28/1023402228.db2.gz DVJVGQMGCLBPDN-HUUCEWRRSA-N 0 0 386.471 3.773 20 10 GHCDRN CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N2Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141075248 1023435166 /nfs/dbraw/zinc/43/51/66/1023435166.db2.gz KDQWPBXNHQMIDQ-BGYRXZFFSA-N 0 0 383.536 3.579 20 10 GHCDRN O=S(=O)(c1cc(F)cc(Cl)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000755952301 1023450868 /nfs/dbraw/zinc/45/08/68/1023450868.db2.gz VTKHBSWBNUEQQI-MRXNPFEDSA-N 0 0 399.871 3.555 20 10 GHCDRN CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cc1 ZINC000755984113 1023466241 /nfs/dbraw/zinc/46/62/41/1023466241.db2.gz IQZITAHNNMJFJG-UHFFFAOYSA-N 0 0 377.462 3.802 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)NC[C@@H](O)c3ccccc3F)c2C)cc1 ZINC000755995320 1023471074 /nfs/dbraw/zinc/47/10/74/1023471074.db2.gz MLNMVTUEUMOQSZ-OAQYLSRUSA-N 0 0 382.435 3.705 20 10 GHCDRN CC(C)CSCCCNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000756059791 1023503949 /nfs/dbraw/zinc/50/39/49/1023503949.db2.gz XYSAVTCPERTBFD-UHFFFAOYSA-N 0 0 381.611 3.818 20 10 GHCDRN Cc1cc(C(=O)NCCCNC(=O)C(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000756232229 1023559905 /nfs/dbraw/zinc/55/99/05/1023559905.db2.gz OTNSKYIHABQGIQ-UHFFFAOYSA-N 0 0 375.900 3.640 20 10 GHCDRN CNC(=O)c1ccc(C[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])cc1 ZINC000756398002 1023627574 /nfs/dbraw/zinc/62/75/74/1023627574.db2.gz YBAWKBPXSZRHIB-SNVBAGLBSA-N 0 0 381.245 3.504 20 10 GHCDRN COCCOc1ccc(C[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])cn1 ZINC000756433167 1023645916 /nfs/dbraw/zinc/64/59/16/1023645916.db2.gz NVKIBYVSGUCOMM-LLVKDONJSA-N 0 0 399.260 3.565 20 10 GHCDRN Cc1ccc([C@@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])N2CCOCC2)cc1 ZINC000756434168 1023646646 /nfs/dbraw/zinc/64/66/46/1023646646.db2.gz IYDJTVIVEHWNSR-MGPUTAFESA-N 0 0 376.447 3.703 20 10 GHCDRN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000756437270 1023649801 /nfs/dbraw/zinc/64/98/01/1023649801.db2.gz KAMICKHHHZAPIB-UHFFFAOYSA-N 0 0 383.448 3.866 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cc(F)ccc2Br)c1 ZINC000756457670 1023661687 /nfs/dbraw/zinc/66/16/87/1023661687.db2.gz SAIRUQLIQRZSBF-SNVBAGLBSA-N 0 0 382.229 3.931 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000756482775 1023679101 /nfs/dbraw/zinc/67/91/01/1023679101.db2.gz LHPQELNOLFFZLH-ASSNKEHSSA-N 0 0 383.444 3.752 20 10 GHCDRN C[C@@H]([NH2+][C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756570861 1023716326 /nfs/dbraw/zinc/71/63/26/1023716326.db2.gz BTKRGWIWPYOPLQ-ZIAGYGMSSA-N 0 0 379.457 3.741 20 10 GHCDRN C[C@H]([NH2+]CCOC[C@@H]1CCCO1)c1cc(Br)cc(Cl)c1[O-] ZINC000756583379 1023721556 /nfs/dbraw/zinc/72/15/56/1023721556.db2.gz NLVQKOCVYKOGDP-JQWIXIFHSA-N 0 0 378.694 3.654 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](Cc2nccn2C)c2ccccc2)c1 ZINC000756622830 1023741739 /nfs/dbraw/zinc/74/17/39/1023741739.db2.gz ZJMJVBAZFPSVOY-BEFAXECRSA-N 0 0 379.460 3.547 20 10 GHCDRN COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H](C)c3cc(F)cc(F)c3[O-])C2)c1 ZINC000756650717 1023754863 /nfs/dbraw/zinc/75/48/63/1023754863.db2.gz PIVIDQZSBZZKAC-UONOGXRCSA-N 0 0 392.446 3.865 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000756703507 1023781247 /nfs/dbraw/zinc/78/12/47/1023781247.db2.gz TUWNYRGPLLNUMU-HXUWFJFHSA-N 0 0 391.519 3.785 20 10 GHCDRN COc1ccccc1[C@H](CO)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756713180 1023785030 /nfs/dbraw/zinc/78/50/30/1023785030.db2.gz VWKWQEAQEYGLMG-BMIGLBTASA-N 0 0 384.245 3.687 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1cc(Br)c(F)cc1[O-] ZINC000756740527 1023794672 /nfs/dbraw/zinc/79/46/72/1023794672.db2.gz ROVSALHJUDVAQK-ANRSDYALSA-N 0 0 390.199 3.956 20 10 GHCDRN C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756756956 1023801835 /nfs/dbraw/zinc/80/18/35/1023801835.db2.gz AWXJQPGKGWVREI-JSGCOSHPSA-N 0 0 398.381 3.821 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1cc(Br)c(F)cc1[O-] ZINC000756757101 1023802404 /nfs/dbraw/zinc/80/24/04/1023802404.db2.gz BRMGPQQLNLTSGY-XMZIXOGTSA-N 0 0 390.318 3.999 20 10 GHCDRN C[C@@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])[C@@H](O)Cc1ccccc1 ZINC000756758853 1023802771 /nfs/dbraw/zinc/80/27/71/1023802771.db2.gz GWIVSMALWCIYRS-JKDFXYPNSA-N 0 0 382.273 3.937 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1cc(Br)c(F)cc1[O-] ZINC000756768936 1023808199 /nfs/dbraw/zinc/80/81/99/1023808199.db2.gz BGYVEWKUSMRFSI-NEPJUHHUSA-N 0 0 380.261 3.618 20 10 GHCDRN C[C@@H](Nc1cccc(N2CCNC2=O)c1)c1cc(Br)ccc1O ZINC000756818308 1023825705 /nfs/dbraw/zinc/82/57/05/1023825705.db2.gz FGHMEWJIQHJXFH-LLVKDONJSA-N 0 0 376.254 3.857 20 10 GHCDRN C[C@@H](C(=O)Nc1ccc(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1)n1cncn1 ZINC000756849434 1023832792 /nfs/dbraw/zinc/83/27/92/1023832792.db2.gz ANWKOJCOUOGSHR-IIYDPXPESA-N 0 0 395.438 3.983 20 10 GHCDRN COc1ccc(-c2nnc(N(C)Cc3ccccc3O)n2CC2CC2)cc1OC ZINC000830544208 1023978157 /nfs/dbraw/zinc/97/81/57/1023978157.db2.gz MOABAXJQTCWPLI-UHFFFAOYSA-N 0 0 394.475 3.714 20 10 GHCDRN COC[C@]1(CO)CCN(C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)C1 ZINC000837076865 1023997231 /nfs/dbraw/zinc/99/72/31/1023997231.db2.gz KQLNTOSYYYCDJD-HSZRJFAPSA-N 0 0 384.520 3.689 20 10 GHCDRN COC[C@@]1(CO)CCN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)C1 ZINC000837081293 1024000170 /nfs/dbraw/zinc/00/01/70/1024000170.db2.gz MJJQJMATUIUUEJ-QFIPXVFZSA-N 0 0 396.491 3.639 20 10 GHCDRN Cc1cc(C(=O)NC[C@H]2CC(C)=NO2)c(C)n1-c1cccc(Br)c1 ZINC001141215493 1024158028 /nfs/dbraw/zinc/15/80/28/1024158028.db2.gz KGRZLRGRFZAFII-MRXNPFEDSA-N 0 0 390.281 3.751 20 10 GHCDRN Oc1c(F)cccc1CN1CCc2c(COCc3ccccn3)cncc2C1 ZINC001138125482 1024169494 /nfs/dbraw/zinc/16/94/94/1024169494.db2.gz QNQACLIMPJWFAZ-UHFFFAOYSA-N 0 0 379.435 3.596 20 10 GHCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(F)c1)C2 ZINC001138127305 1024174121 /nfs/dbraw/zinc/17/41/21/1024174121.db2.gz WKAWHWOECXLKJO-QFIPXVFZSA-N 0 0 388.458 3.789 20 10 GHCDRN COc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c2ccccc2n1 ZINC000830900398 1024229168 /nfs/dbraw/zinc/22/91/68/1024229168.db2.gz WZIBCWIUSCUUPO-KRWDZBQOSA-N 0 0 392.455 3.770 20 10 GHCDRN COc1ccc(N2CCN(Cc3cc(O)ccc3Br)CC2)c(C)c1 ZINC001138149144 1024236429 /nfs/dbraw/zinc/23/64/29/1024236429.db2.gz ZKDWWSPHDHHICJ-UHFFFAOYSA-N 0 0 391.309 3.794 20 10 GHCDRN C[C@@H](CC(F)(F)F)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000837348864 1024368759 /nfs/dbraw/zinc/36/87/59/1024368759.db2.gz KKRBDHPEZBMHKK-NSHDSACASA-N 0 0 398.347 3.747 20 10 GHCDRN c1ccn(Cc2nnc3n2CCCN(Cc2ccc(N4CCCCC4)cc2)C3)c1 ZINC001138218340 1024388828 /nfs/dbraw/zinc/38/88/28/1024388828.db2.gz HBBJCNFVRRPJKF-UHFFFAOYSA-N 0 0 390.535 3.524 20 10 GHCDRN C[NH2+]C[C@@H]1CCCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])C1 ZINC001205017483 1033213345 /nfs/dbraw/zinc/21/33/45/1033213345.db2.gz ORNHVWGWINMSKP-JTQLQIEISA-N 0 0 381.236 3.605 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)C3(CF)CCOCC3)cc2Cl)C1 ZINC000831275684 1024465719 /nfs/dbraw/zinc/46/57/19/1024465719.db2.gz CRGHUJDDDVNPSO-HNNXBMFYSA-N 0 0 382.907 3.959 20 10 GHCDRN CCO[C@@H]1C[C@](CO)(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1(C)C ZINC001138271149 1024516295 /nfs/dbraw/zinc/51/62/95/1024516295.db2.gz FOOSDGFQENMCAS-DENIHFKCSA-N 0 0 388.483 3.529 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@H]2CCO[C@H](C)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000837615551 1024588794 /nfs/dbraw/zinc/58/87/94/1024588794.db2.gz BWLMIISTFJSTKS-HIFRSBDPSA-N 0 0 390.867 3.684 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@@H]2CCCCS2)c(C)n1-c1ccc(F)cn1 ZINC000837627225 1024596011 /nfs/dbraw/zinc/59/60/11/1024596011.db2.gz TVWXJTAFUYANNV-KRWDZBQOSA-N 0 0 376.453 3.640 20 10 GHCDRN CCN1CC[C@@H](NC(=O)Cc2ccc(N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831509264 1024608217 /nfs/dbraw/zinc/60/82/17/1024608217.db2.gz COIASNNZHABIFK-QUCCMNQESA-N 0 0 375.875 3.556 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1c(F)cccc1Cl ZINC000837704340 1024648179 /nfs/dbraw/zinc/64/81/79/1024648179.db2.gz LJZNFMKURWDVEO-UHFFFAOYSA-N 0 0 384.785 3.524 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc2sccc2c1 ZINC000837706653 1024649511 /nfs/dbraw/zinc/64/95/11/1024649511.db2.gz HDHDHVHCGFNIDH-UHFFFAOYSA-N 0 0 388.439 3.946 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1F ZINC000837705926 1024649526 /nfs/dbraw/zinc/64/95/26/1024649526.db2.gz SVDYAHSKRPJUBZ-UHFFFAOYSA-N 0 0 384.785 3.524 20 10 GHCDRN CCC[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CCC1 ZINC000837714791 1024657866 /nfs/dbraw/zinc/65/78/66/1024657866.db2.gz STCUJPYPQFSFFL-LJQANCHMSA-N 0 0 377.504 3.555 20 10 GHCDRN CCOC[C@H]1CN(Cc2ccc3c(c2)CCCN3C)Cc2nn(CC3CC3)cc21 ZINC001138355400 1024719148 /nfs/dbraw/zinc/71/91/48/1024719148.db2.gz PVMIIRVBKUMTMZ-OAQYLSRUSA-N 0 0 394.563 3.811 20 10 GHCDRN COC(=O)CC[C@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141372995 1024761203 /nfs/dbraw/zinc/76/12/03/1024761203.db2.gz IKMNHDWSQBNYGY-JTQLQIEISA-N 0 0 376.678 3.583 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CCCN(c2cccnc2)CC1 ZINC001141374904 1024767939 /nfs/dbraw/zinc/76/79/39/1024767939.db2.gz RWECIQRDKLUYJD-UHFFFAOYSA-N 0 0 396.716 3.915 20 10 GHCDRN CCN(CC)c1ccc(CN2Cc3cnn(C4CCOCC4)c3C2)c(OC)c1 ZINC001138392193 1024769458 /nfs/dbraw/zinc/76/94/58/1024769458.db2.gz TVWZNMMCYHZYMO-UHFFFAOYSA-N 0 0 384.524 3.605 20 10 GHCDRN 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ZINC000842878430 1029655420 /nfs/dbraw/zinc/65/54/20/1029655420.db2.gz BCRMIQASSOFUHJ-IBGZPJMESA-N 0 0 391.471 3.623 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)CCC(=O)c3cccc(F)c3)C2)cc1 ZINC000842879962 1029659173 /nfs/dbraw/zinc/65/91/73/1029659173.db2.gz ULOTVZRBUPMOAE-INIZCTEOSA-N 0 0 385.435 3.867 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3c(Cl)nc4ccccn43)C2)cc1 ZINC000842880902 1029659906 /nfs/dbraw/zinc/65/99/06/1029659906.db2.gz GWRMZJOXIUCDIH-AWEZNQCLSA-N 0 0 385.851 3.680 20 10 GHCDRN O=C(c1cc(Cl)ccc1NC1=CCS(=O)(=O)CC1)c1c(F)cccc1F ZINC001216567322 1029688435 /nfs/dbraw/zinc/68/84/35/1029688435.db2.gz JACXKIJKWQDLOO-UHFFFAOYSA-N 0 0 397.830 3.964 20 10 GHCDRN CC(C)(C)c1cccc(CN2Cc3nccn3C[C@@H](COCC3CC3)C2)c1O ZINC001143108283 1029845336 /nfs/dbraw/zinc/84/53/36/1029845336.db2.gz MPRVKTXSPUNRMA-SFHVURJKSA-N 0 0 383.536 3.945 20 10 GHCDRN COCc1cc(CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)ccc1F ZINC001221933130 1029897171 /nfs/dbraw/zinc/89/71/71/1029897171.db2.gz QVSLRCBPAZHXMY-UHFFFAOYSA-N 0 0 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376.460 3.928 20 10 GHCDRN O=C(NCCSC(F)(F)F)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001219190000 1031298085 /nfs/dbraw/zinc/29/80/85/1031298085.db2.gz VPXQBHMVEOINCI-UHFFFAOYSA-N 0 0 381.383 3.771 20 10 GHCDRN O=C(Nc1cccc2cc[nH]c21)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001152607695 1031301799 /nfs/dbraw/zinc/30/17/99/1031301799.db2.gz VGPORQSLNXNOOT-UHFFFAOYSA-N 0 0 398.374 3.607 20 10 GHCDRN Cc1ccc(C(=O)NCc2cc3cc(Br)ccc3o2)c(O)c1O ZINC001153712802 1031716845 /nfs/dbraw/zinc/71/68/45/1031716845.db2.gz LDMXEJQFPHTSTA-UHFFFAOYSA-N 0 0 376.206 3.845 20 10 GHCDRN O=C(NCc1cc(O)ccc1O)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC001153888263 1031792014 /nfs/dbraw/zinc/79/20/14/1031792014.db2.gz CQXRISTUEMUCNO-UHFFFAOYSA-N 0 0 379.199 3.990 20 10 GHCDRN COC(=O)c1cc(C)cc(NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC001220197093 1031831458 /nfs/dbraw/zinc/83/14/58/1031831458.db2.gz PRMBVUJYDATRIO-MRXNPFEDSA-N 0 0 383.492 3.909 20 10 GHCDRN COc1cc2ccc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc2cc1OC ZINC001154026462 1031883109 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GHCDRN O=S(=O)(Nc1ccc(Cl)c(Cl)c1Cl)c1cccc2nonc21 ZINC001260440941 1045496387 /nfs/dbraw/zinc/49/63/87/1045496387.db2.gz APHSFHOLVJMDSN-UHFFFAOYSA-N 0 0 378.624 3.984 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)c1ccn(Cc2ccccc2)c1 ZINC001297439405 1045522707 /nfs/dbraw/zinc/52/27/07/1045522707.db2.gz HGTAMWXVTGQFMB-UHFFFAOYSA-N 0 0 385.261 3.935 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)c1cccc2[nH]c(C(F)F)nc21 ZINC001297440258 1045523400 /nfs/dbraw/zinc/52/34/00/1045523400.db2.gz KZIFUPRTZHSHFE-UHFFFAOYSA-N 0 0 396.191 3.899 20 10 GHCDRN CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(-c3ccccn3)s2)cc1 ZINC001260530967 1045528358 /nfs/dbraw/zinc/52/83/58/1045528358.db2.gz GVYATYVCZSMPEP-UHFFFAOYSA-N 0 0 387.530 3.697 20 10 GHCDRN O=S(=O)(NCc1ccc(O)c(O)c1)c1c(Cl)cc(Cl)cc1Cl ZINC001260559461 1045547042 /nfs/dbraw/zinc/54/70/42/1045547042.db2.gz IJQHBVOTEZSAKQ-UHFFFAOYSA-N 0 0 382.652 3.537 20 10 GHCDRN CC[C@H](C)S(=O)(=O)N1CCN(c2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC001260739510 1045632985 /nfs/dbraw/zinc/63/29/85/1045632985.db2.gz 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CN(Cc1ccon1)c1nnc(C(C)(C)C)n1Cc1ccc2c(c1)CCCN2C ZINC001298889189 1045976270 /nfs/dbraw/zinc/97/62/70/1045976270.db2.gz RJDDGDDQABXMKR-UHFFFAOYSA-N 0 0 394.523 3.631 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3Cc4ccc(C)cc4S3)C2)cc1 ZINC001261439061 1045998556 /nfs/dbraw/zinc/99/85/56/1045998556.db2.gz YYBWHQWBQISNQA-KKSFZXQISA-N 0 0 382.529 3.663 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)Nc2cc(C(F)(F)F)nn2C)C2CC2)cc1 ZINC001261678222 1046063295 /nfs/dbraw/zinc/06/32/95/1046063295.db2.gz PYTTXXWDUSRTAF-UHFFFAOYSA-N 0 0 381.402 3.701 20 10 GHCDRN O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)N1Cc2cccc(O)c2C1 ZINC001261941927 1046139607 /nfs/dbraw/zinc/13/96/07/1046139607.db2.gz IJGSFVGBORWCIC-HXUWFJFHSA-N 0 0 388.471 3.740 20 10 GHCDRN COc1ccc(S(=O)(=O)NCc2ccc(N3CCC(C)CC3)cc2)c(F)c1 ZINC001463047959 1070756637 /nfs/dbraw/zinc/75/66/37/1070756637.db2.gz MPFRTDMFYJRDGB-UHFFFAOYSA-N 0 0 392.496 3.549 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)C3(Cc4ccc(O)cc4)CC3)CC2)cc1 ZINC001262607254 1046279613 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GHCDRN CC(C)Cc1nnc(N2CCOCC2)n1Cc1ccc(N2CCC(C)CC2)cc1 ZINC001302982177 1047227453 /nfs/dbraw/zinc/22/74/53/1047227453.db2.gz RBKJBNRJGKAEFO-UHFFFAOYSA-N 0 0 397.567 3.598 20 10 GHCDRN C[C@@H]1CO[C@@H](C(=O)Oc2ccc3c(c2)oc(=O)cc3-c2ccc([N+](=O)[O-])cc2)C1 ZINC001264229740 1047272439 /nfs/dbraw/zinc/27/24/39/1047272439.db2.gz QJVQHNWFTNZYBO-HXPMCKFVSA-N 0 0 395.367 3.699 20 10 GHCDRN CC(C)CN(C)c1nnc(Cc2ccncc2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001303140579 1047288916 /nfs/dbraw/zinc/28/89/16/1047288916.db2.gz VGQZYDLYMHKVPI-UHFFFAOYSA-N 0 0 396.514 3.610 20 10 GHCDRN CO[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1CCCCC1 ZINC001264610698 1047388752 /nfs/dbraw/zinc/38/87/52/1047388752.db2.gz LKCMUIWBFHMBDJ-JOCHJYFZSA-N 0 0 377.440 3.996 20 10 GHCDRN CC(C)C[C@H](CC(=O)NCc1ccc(N(C)C)c(F)c1)NC(=O)OC(C)(C)C ZINC001264827013 1047467624 /nfs/dbraw/zinc/46/76/24/1047467624.db2.gz KSXFKXJURXVVLP-MRXNPFEDSA-N 0 0 395.519 3.837 20 10 GHCDRN COc1cccc2c1OC[C@@H](NC(=O)Cc1cc(C)n(-c3ccccc3)c1C)C2 ZINC001264952353 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20 10 GHCDRN CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1Cc1cnccc1OC ZINC001305381645 1048003439 /nfs/dbraw/zinc/00/34/39/1048003439.db2.gz FIODIRYAEQYJTI-OAHLLOKOSA-N 0 0 381.480 3.586 20 10 GHCDRN CC[C@H](C)c1nnc(N2CCC(CO)CC2)n1Cc1ccc(N(CC)CC)cc1 ZINC001305451229 1048063998 /nfs/dbraw/zinc/06/39/98/1048063998.db2.gz XCBCHXKXBULGME-SFHVURJKSA-N 0 0 399.583 3.895 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)NC[C@H](OC)C2CCCC2)CCCC1 ZINC001280445918 1048218122 /nfs/dbraw/zinc/21/81/22/1048218122.db2.gz GVRXRTYBIFGATG-QFIPXVFZSA-N 0 0 384.520 3.850 20 10 GHCDRN Cc1cc(Br)ccc1NNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000728448487 1048242695 /nfs/dbraw/zinc/24/26/95/1048242695.db2.gz WFFWBKWQOJTNFZ-UHFFFAOYSA-N 0 0 381.255 3.979 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2cc(C(F)(F)F)n(C)n2)cc1 ZINC001463318410 1070984478 /nfs/dbraw/zinc/98/44/78/1070984478.db2.gz LUFNGCINSUNQMK-UHFFFAOYSA-N 0 0 376.382 3.776 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)COc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000731015791 1048687947 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3.816 20 10 GHCDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)c1C ZINC000732526474 1049093575 /nfs/dbraw/zinc/09/35/75/1049093575.db2.gz SUJVHEMGJSFRCH-UHFFFAOYSA-N 0 0 375.450 3.613 20 10 GHCDRN CC(C)(CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)[C@@]1(O)CCCOC1 ZINC001307173024 1049118394 /nfs/dbraw/zinc/11/83/94/1049118394.db2.gz XSXSQYLXUQGVSH-JOCHJYFZSA-N 0 0 398.459 3.805 20 10 GHCDRN COc1ccc(N2CCN(C(=O)CS[C@@H]3CCc4ccccc4C3)CC2)cc1 ZINC001307368267 1049227776 /nfs/dbraw/zinc/22/77/76/1049227776.db2.gz HOHLTWIZWPJDKL-JOCHJYFZSA-N 0 0 396.556 3.635 20 10 GHCDRN CCOc1ccc(N2CCN(Cc3sncc3Br)CC2)cc1 ZINC001307599089 1049437795 /nfs/dbraw/zinc/43/77/95/1049437795.db2.gz CWDIYAYHSTWLJY-UHFFFAOYSA-N 0 0 382.327 3.627 20 10 GHCDRN Cc1cc(N(C)C)ccc1Cn1c(CC(C)C)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC001289423463 1049479785 /nfs/dbraw/zinc/47/97/85/1049479785.db2.gz LUWSNSCCGGTICR-ROUUACIJSA-N 0 0 385.556 3.513 20 10 GHCDRN Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001289427476 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Cc1cc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccccn1 ZINC001319704639 1055411748 /nfs/dbraw/zinc/41/17/48/1055411748.db2.gz ODDXWLOYJVMHGZ-IFMALSPDSA-N 0 0 392.478 3.803 20 10 GHCDRN Cc1cc(CC(=O)N[C@@H](CO)CC(F)(F)F)c(C)n1-c1ccc(Cl)cc1 ZINC001319747172 1055441355 /nfs/dbraw/zinc/44/13/55/1055441355.db2.gz GVBZSODQJCLEFX-OAHLLOKOSA-N 0 0 388.817 3.720 20 10 GHCDRN Cn1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)c(C(F)(F)F)c1 ZINC001319996998 1055586688 /nfs/dbraw/zinc/58/66/88/1055586688.db2.gz JDOFZDZHYHQCEF-UHFFFAOYSA-N 0 0 383.439 3.527 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCN(c3cccc(OC)c3)CC2)c1 ZINC001320118536 1055661854 /nfs/dbraw/zinc/66/18/54/1055661854.db2.gz MZJNFENAJWEARI-OAHLLOKOSA-N 0 0 384.476 3.507 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)Cc3nc(C(C)C)c(C)s3)CC2)cc1 ZINC001320976542 1056041465 /nfs/dbraw/zinc/04/14/65/1056041465.db2.gz WUVGYDFOKSQMLO-UHFFFAOYSA-N 0 0 387.549 3.865 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(NC(=O)OC(C)(C)C)n1 ZINC001321159885 1056127399 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/nfs/dbraw/zinc/02/60/45/1057026045.db2.gz BUEYRBBAJKJCAH-UHFFFAOYSA-N 0 0 395.890 3.907 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(-c2ccccc2)ccn1 ZINC001355130814 1057058362 /nfs/dbraw/zinc/05/83/62/1057058362.db2.gz OLVVKEVWRPQCBX-UHFFFAOYSA-N 0 0 391.446 3.654 20 10 GHCDRN Cc1sc(NC(=O)c2cn(C)c(=O)[nH]2)c(C(=O)OC(C)C)c1-c1ccccc1 ZINC001355206417 1057081612 /nfs/dbraw/zinc/08/16/12/1057081612.db2.gz NOFDORBZTBRDMJ-UHFFFAOYSA-N 0 0 399.472 3.980 20 10 GHCDRN CCOC(=O)[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccc(OC)c(F)c1 ZINC001324235653 1057094773 /nfs/dbraw/zinc/09/47/73/1057094773.db2.gz NKMMAZPCSDLCAS-NRFANRHFSA-N 0 0 386.467 3.829 20 10 GHCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2nccc(Cl)c2F)cc1 ZINC001324257367 1057099655 /nfs/dbraw/zinc/09/96/55/1057099655.db2.gz YAMWYMNOAFRGAL-MRXNPFEDSA-N 0 0 391.874 3.762 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)c3cccc(OC(F)F)c3)CC2)cc1 ZINC001324298169 1057107212 /nfs/dbraw/zinc/10/72/12/1057107212.db2.gz IRVSERWSQCTYHS-UHFFFAOYSA-N 0 0 376.403 3.649 20 10 GHCDRN COc1cc(Br)cc([C@H](C)Nc2ccc(CNC(C)=O)cc2)c1O ZINC000848544198 1057164657 /nfs/dbraw/zinc/16/46/57/1057164657.db2.gz VASZUEVBMKMFST-NSHDSACASA-N 0 0 393.281 3.973 20 10 GHCDRN CCN(Cc1ccccc1)c1ccc(CNCc2nnn(C(C)(C)C)n2)cc1 ZINC000848565344 1057181740 /nfs/dbraw/zinc/18/17/40/1057181740.db2.gz NKYSXNJVPNEMSW-UHFFFAOYSA-N 0 0 378.524 3.744 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H]2COc3ccccc3[C@@H]2O)c1 ZINC001324635072 1057184975 /nfs/dbraw/zinc/18/49/75/1057184975.db2.gz YLMHHLPNIFNWOW-CTNGQTDRSA-N 0 0 396.874 3.972 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC001325277848 1057304533 /nfs/dbraw/zinc/30/45/33/1057304533.db2.gz IMNYNIYTGSYFPQ-MRXNPFEDSA-N 0 0 385.556 3.854 20 10 GHCDRN Cc1cc(C(=O)Cn2c(=O)sc3ccccc32)c(C)n1-c1ccc(F)cn1 ZINC001472989998 1057309711 /nfs/dbraw/zinc/30/97/11/1057309711.db2.gz KDHCJKQYPNLSNU-UHFFFAOYSA-N 0 0 381.432 3.888 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC(=O)N(c3cccc(F)c3)C2)cc1 ZINC001355911074 1057311663 /nfs/dbraw/zinc/31/16/63/1057311663.db2.gz NNQJQUMFHYSPRX-GOSISDBHSA-N 0 0 397.494 3.731 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc1 ZINC001355912364 1057312030 /nfs/dbraw/zinc/31/20/30/1057312030.db2.gz UKAURKJSJAJIOV-UHFFFAOYSA-N 0 0 393.390 3.972 20 10 GHCDRN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC001325358061 1057317907 /nfs/dbraw/zinc/31/79/07/1057317907.db2.gz ZEQYHWZNHFWSPX-APWZRJJASA-N 0 0 380.488 3.762 20 10 GHCDRN CC(C)(C)Oc1cccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC001356036915 1057364841 /nfs/dbraw/zinc/36/48/41/1057364841.db2.gz QCMXYNBRCWHLAP-UHFFFAOYSA-N 0 0 386.467 3.770 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)NCCCCOc3ccccc3)C2)cc1 ZINC001325913700 1057383439 /nfs/dbraw/zinc/38/34/39/1057383439.db2.gz YHWQCAWCMRRUAT-LJQANCHMSA-N 0 0 397.519 3.680 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCC[C@@H](F)C3)cc2F)C[C@H](C)O1 ZINC001326280545 1057446530 /nfs/dbraw/zinc/44/65/30/1057446530.db2.gz QBSXWZOORZBZCB-YALNPMBYSA-N 0 0 381.467 3.519 20 10 GHCDRN C/C(=C\C1CCC(C)CC1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC001356434078 1057511363 /nfs/dbraw/zinc/51/13/63/1057511363.db2.gz PDMSXHQXPVLNCJ-WRJIIAIZSA-N 0 0 397.563 3.777 20 10 GHCDRN Cc1cc(CC(=O)N(C)c2ccc(S(C)(=O)=O)cc2)c(C)n1-c1ccccc1 ZINC001356468047 1057520861 /nfs/dbraw/zinc/52/08/61/1057520861.db2.gz OKUKWKCZSIVBQM-UHFFFAOYSA-N 0 0 396.512 3.703 20 10 GHCDRN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2Nc1ccc(OCCS(C)(=O)=O)cc1 ZINC001327268341 1057630399 /nfs/dbraw/zinc/63/03/99/1057630399.db2.gz RJCCVTWMJMUQDK-PBHICJAKSA-N 0 0 375.490 3.784 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](c2cnn(C)c2)C(C)C)CCCC1 ZINC001439838920 1058318852 /nfs/dbraw/zinc/31/88/52/1058318852.db2.gz UQWLTVMXDLLNPN-HSZRJFAPSA-N 0 0 394.519 3.776 20 10 GHCDRN CC(=O)Oc1ccc(C2=N/C(=C\c3ccc(N4CCCC4)cc3)C(=O)O2)cc1 ZINC001338378433 1058536760 /nfs/dbraw/zinc/53/67/60/1058536760.db2.gz MSWCPJQDGGYXIT-ZHZULCJRSA-N 0 0 376.412 3.557 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCO[C@@H](c2ccccc2)O1 ZINC001440712077 1058594398 /nfs/dbraw/zinc/59/43/98/1058594398.db2.gz JJSHAJBSFSBORX-JTHBVZDNSA-N 0 0 380.488 3.750 20 10 GHCDRN COC(=O)c1cc(CN(C)C(=O)Cc2cc(C)n(-c3ccccc3)c2C)oc1C ZINC001440748172 1058607921 /nfs/dbraw/zinc/60/79/21/1058607921.db2.gz PUJZKAVOARSIEW-UHFFFAOYSA-N 0 0 394.471 3.983 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001441148369 1058715372 /nfs/dbraw/zinc/71/53/72/1058715372.db2.gz KIWPLPVYJDJGPF-UHFFFAOYSA-N 0 0 394.431 3.679 20 10 GHCDRN CC(C)c1nnsc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001338876282 1058848460 /nfs/dbraw/zinc/84/84/60/1058848460.db2.gz FIJQANGSDNCBNH-GFCCVEGCSA-N 0 0 396.463 3.662 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3oc(C4CC4)nc3C(F)F)C2)cc1 ZINC001339071574 1058948067 /nfs/dbraw/zinc/94/80/67/1058948067.db2.gz FGNWRSDDAZLPES-LBPRGKRZSA-N 0 0 391.418 3.755 20 10 GHCDRN COc1c(Br)cccc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC001442386805 1058955062 /nfs/dbraw/zinc/95/50/62/1058955062.db2.gz LLAVLWWPGPTAGX-UHFFFAOYSA-N 0 0 389.293 3.770 20 10 GHCDRN Cc1cc(C(=O)NC[C@H](CO)CC2CCOCC2)c(C)n1-c1cccc(C)c1 ZINC001339160147 1058987412 /nfs/dbraw/zinc/98/74/12/1058987412.db2.gz QLHVKNOSBCTVRB-HXUWFJFHSA-N 0 0 384.520 3.558 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001443826703 1059211878 /nfs/dbraw/zinc/21/18/78/1059211878.db2.gz VLEFBIPHQHZFSR-SJLPKXTDSA-N 0 0 389.540 3.570 20 10 GHCDRN Cc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c2ncccc12 ZINC001444662768 1059355367 /nfs/dbraw/zinc/35/53/67/1059355367.db2.gz KIAILNHZISJSRB-UHFFFAOYSA-N 0 0 389.499 3.682 20 10 GHCDRN Cc1ccc([C@@H](NCc2ccc(N3CCCC3)cc2)[C@H](C)S(C)(=O)=O)cc1 ZINC001339774199 1059458320 /nfs/dbraw/zinc/45/83/20/1059458320.db2.gz MPZMPSDVRQPRRK-AVRDEDQJSA-N 0 0 386.561 3.859 20 10 GHCDRN CC[C@@H](C)[C@H](O)CNC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC001445668268 1059590967 /nfs/dbraw/zinc/59/09/67/1059590967.db2.gz KMWZRWVHKWBNJL-KZULUSFZSA-N 0 0 393.325 3.993 20 10 GHCDRN COc1ccc([C@H](NC(=O)c2ccc(C)c(O)c2O)c2ccccc2OC)cc1 ZINC001446517212 1059788477 /nfs/dbraw/zinc/78/84/77/1059788477.db2.gz NPORYGLGWYXOPH-FQEVSTJZSA-N 0 0 393.439 3.943 20 10 GHCDRN O=C(c1cc(F)c2ncccc2c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001446570071 1059802758 /nfs/dbraw/zinc/80/27/58/1059802758.db2.gz SDJQPEDPVGDANX-SFHVURJKSA-N 0 0 380.419 3.901 20 10 GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cccc(Cl)c1F ZINC001446812906 1059867204 /nfs/dbraw/zinc/86/72/04/1059867204.db2.gz CLYRLBFQELUMND-UHFFFAOYSA-N 0 0 386.206 3.654 20 10 GHCDRN COCCCOCCN(C)C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001446839897 1059877536 /nfs/dbraw/zinc/87/75/36/1059877536.db2.gz HSRDAMRFNXLRBA-UHFFFAOYSA-N 0 0 378.900 3.873 20 10 GHCDRN CCn1c(C2Sc3ncccc3C2=O)nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC001340356782 1059886638 /nfs/dbraw/zinc/88/66/38/1059886638.db2.gz HBRGPSBFWYUNNI-MRXNPFEDSA-N 0 0 377.420 3.516 20 10 GHCDRN COC(=O)C[C@@H]1CCCN1C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001546000536 1060037964 /nfs/dbraw/zinc/03/79/64/1060037964.db2.gz RRSUPEALSCSIAH-IBGZPJMESA-N 0 0 388.895 3.844 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCOCC3(CCCC3)C2)c1 ZINC001447959874 1060073744 /nfs/dbraw/zinc/07/37/44/1060073744.db2.gz RPPNXUDCHOKCCQ-UHFFFAOYSA-N 0 0 380.488 3.939 20 10 GHCDRN C[C@H](NC(=O)c1nc(C(F)(F)F)n2ccccc12)c1ccc(N(C)C)cc1 ZINC001447971702 1060076356 /nfs/dbraw/zinc/07/63/56/1060076356.db2.gz ODYKEQARWZAEOB-LBPRGKRZSA-N 0 0 376.382 3.910 20 10 GHCDRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001448193006 1060132422 /nfs/dbraw/zinc/13/24/22/1060132422.db2.gz UTKKYTVCGWUZHV-CYBMUJFWSA-N 0 0 398.484 3.604 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc2c(c1)NCC2 ZINC001340839505 1060181888 /nfs/dbraw/zinc/18/18/88/1060181888.db2.gz QOMBCWILGQQTDD-UHFFFAOYSA-N 0 0 387.430 3.655 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)c3cccnc3SC(F)F)CC2)cc1 ZINC001340943354 1060272295 /nfs/dbraw/zinc/27/22/95/1060272295.db2.gz AWZAQXUDUYZSMN-UHFFFAOYSA-N 0 0 393.459 3.757 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(OCc2ccncc2)cc1 ZINC001449115629 1060334220 /nfs/dbraw/zinc/33/42/20/1060334220.db2.gz DBUYPRUPUFMXSC-UHFFFAOYSA-N 0 0 383.444 3.782 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnc(Cl)cc1C(F)(F)F ZINC001449119323 1060334660 /nfs/dbraw/zinc/33/46/60/1060334660.db2.gz JRWYULVYYJKLRM-UHFFFAOYSA-N 0 0 379.762 3.875 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC(=O)N(CCC(F)(F)F)C1 ZINC001449767625 1060458664 /nfs/dbraw/zinc/45/86/64/1060458664.db2.gz STENEBILRUWLQJ-UHFFFAOYSA-N 0 0 393.409 3.597 20 10 GHCDRN Nc1ccc(Cc2nc(C(=O)N3CC[C@@H]4CC[C@@]43c3cccnc3)cs2)cc1 ZINC001341379934 1060628360 /nfs/dbraw/zinc/62/83/60/1060628360.db2.gz DGRACMLELMXOSR-AOMKIAJQSA-N 0 0 390.512 3.863 20 10 GHCDRN COC(=O)CC[C@@H](CC1CCCCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001451720094 1060822974 /nfs/dbraw/zinc/82/29/74/1060822974.db2.gz FZEPEGUDYZQSKM-KRWDZBQOSA-N 0 0 388.468 3.871 20 10 GHCDRN O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)c1cccc(O)c1O ZINC001452649150 1060979428 /nfs/dbraw/zinc/97/94/28/1060979428.db2.gz JGPPXIIDYKAHBD-UHFFFAOYSA-N 0 0 381.350 3.848 20 10 GHCDRN O=C(CC1(C(F)(F)F)CC1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001346555670 1061678094 /nfs/dbraw/zinc/67/80/94/1061678094.db2.gz HYJCHWHOEJNDQS-CQSZACIVSA-N 0 0 390.833 3.859 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc([C@H]2CCCC2(F)F)n1C[C@@H]1CCOC1 ZINC001346801840 1061902451 /nfs/dbraw/zinc/90/24/51/1061902451.db2.gz AMERUENUHXHAKS-GOEBONIOSA-N 0 0 392.450 3.559 20 10 GHCDRN Cc1nnc(N(C)Cc2ccccc2O)n1CCCc1nc2c(s1)CCCC2 ZINC001492781726 1061919911 /nfs/dbraw/zinc/91/99/11/1061919911.db2.gz JECQJVWJHFEHOH-UHFFFAOYSA-N 0 0 397.548 3.897 20 10 GHCDRN Cc1nnc(N2C[C@H](C)OC(C)(C)C2)n1Cc1ccc(N2CCC(C)CC2)cc1 ZINC001492792969 1061930140 /nfs/dbraw/zinc/93/01/40/1061930140.db2.gz GILOXZRWKLGVHT-SFHVURJKSA-N 0 0 397.567 3.875 20 10 GHCDRN C[C@@H](NC(=O)c1ccc(F)c(I)c1)c1ccccc1O ZINC001454808068 1061940600 /nfs/dbraw/zinc/94/06/00/1061940600.db2.gz SGHMFXBIILRAMS-SECBINFHSA-N 0 0 385.176 3.627 20 10 GHCDRN CCOC(=O)c1cc(OCC)ccc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001455441852 1062147892 /nfs/dbraw/zinc/14/78/92/1062147892.db2.gz CCSCKZZSIRDBCR-UHFFFAOYSA-N 0 0 384.392 3.677 20 10 GHCDRN O=C1c2cccnc2SC1c1nnc(N2CC=CCC2)n1C[C@H]1CCCCO1 ZINC001347250919 1062244549 /nfs/dbraw/zinc/24/45/49/1062244549.db2.gz WDFFDAVMYQASAG-CQSZACIVSA-N 0 0 397.504 3.596 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2ccc3ncn(C)c3c2)cc1 ZINC001456213843 1062557669 /nfs/dbraw/zinc/55/76/69/1062557669.db2.gz QAKJILLOXHUUDC-UHFFFAOYSA-N 0 0 386.455 3.975 20 10 GHCDRN O=C(NCc1c(O)cccc1O)c1cc(C(F)(F)F)ccc1Br ZINC001456233119 1062568662 /nfs/dbraw/zinc/56/86/62/1062568662.db2.gz DRIPPYYQIVWSAQ-UHFFFAOYSA-N 0 0 390.155 3.809 20 10 GHCDRN COc1ncc(/C=C\C(=O)N2CCN(Cc3ccccc3)c3ccccc32)cn1 ZINC001435600259 1062768254 /nfs/dbraw/zinc/76/82/54/1062768254.db2.gz NTKVWUNNJFPHBD-QXMHVHEDSA-N 0 0 386.455 3.552 20 10 GHCDRN Cc1cc(CC(=O)Nc2nc3ccccn3n2)c(C)n1-c1ccc(Cl)cc1 ZINC001435671672 1062835362 /nfs/dbraw/zinc/83/53/62/1062835362.db2.gz 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Cc1cc(C(=O)NCCNC(=O)c2ccccc2F)c(C)n1-c1ccc(F)cc1 ZINC000108674448 855977731 /nfs/dbraw/zinc/97/77/31/855977731.db2.gz PUQCGGPAQGYELF-UHFFFAOYSA-N 0 0 397.425 3.532 20 10 GHCDRN Oc1cc(O)c(CCNc2ccc3cccc(Br)c3n2)cc1O ZINC001168006529 856027157 /nfs/dbraw/zinc/02/71/57/856027157.db2.gz YRTKLXLOXGDNFE-UHFFFAOYSA-N 0 0 375.222 3.769 20 10 GHCDRN O=C(COc1ccccc1Br)NCCCSc1nccs1 ZINC000157364071 856058131 /nfs/dbraw/zinc/05/81/31/856058131.db2.gz ABQOGKPYAIETHD-UHFFFAOYSA-N 0 0 387.324 3.583 20 10 GHCDRN Fc1cc(CNc2nnc(C3CCC(F)(F)CC3)o2)ccc1N1CCOCC1 ZINC000905427179 856325614 /nfs/dbraw/zinc/32/56/14/856325614.db2.gz VVHWPZUVGCSHHX-UHFFFAOYSA-N 0 0 396.413 3.950 20 10 GHCDRN CC[C@H](C)NS(=O)(=O)Cc1cccc(N[C@H](C)c2cc(F)ccc2O)c1 ZINC000186492880 856437770 /nfs/dbraw/zinc/43/77/70/856437770.db2.gz SBSKNRWERBEQBN-UONOGXRCSA-N 0 0 380.485 3.922 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc2nnc(C(C)C)n2c1 ZINC000573818941 856504563 /nfs/dbraw/zinc/50/45/63/856504563.db2.gz IMVHSZZXIVFPJR-UHFFFAOYSA-N 0 0 376.464 3.975 20 10 GHCDRN CO[C@H](CNC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C)C(F)(F)F ZINC000733242008 862820259 /nfs/dbraw/zinc/82/02/59/862820259.db2.gz CRFKBBMXSBOJCA-MRXNPFEDSA-N 0 0 388.817 3.984 20 10 GHCDRN C[C@@H]([NH2+]CCCOC[C@H]1CCCO1)c1cc(Br)c(F)cc1[O-] ZINC000756359689 856705773 /nfs/dbraw/zinc/70/57/73/856705773.db2.gz QIMIPFJMXNPRRK-VXGBXAGGSA-N 0 0 376.266 3.530 20 10 GHCDRN CCOc1ccc(-n2c(C)cc(C(=O)CN(C)Cc3cnn(C)c3)c2C)cc1 ZINC000026874579 856748571 /nfs/dbraw/zinc/74/85/71/856748571.db2.gz FTBGJXXHJBMPSD-UHFFFAOYSA-N 0 0 380.492 3.541 20 10 GHCDRN CC(C)c1nn(C)c2sc(C(=O)N3CCOc4cc(N(C)C)ccc43)cc12 ZINC000173191185 856804564 /nfs/dbraw/zinc/80/45/64/856804564.db2.gz LCWQTTCRDGSUEY-UHFFFAOYSA-N 0 0 384.505 3.863 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC1CCC(O)(c2ccccc2)CC1 ZINC000760995748 857064821 /nfs/dbraw/zinc/06/48/21/857064821.db2.gz SGTJDQQSJWJSOV-UHFFFAOYSA-N 0 0 381.520 3.691 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1ccc2c(c1)CCC(=O)N2 ZINC000058571080 857071456 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CCN(CC)c1ccc(CN(C)C(=O)Nc2ccn(-c3ncccc3F)n2)cc1 ZINC000760066881 859278337 /nfs/dbraw/zinc/27/83/37/859278337.db2.gz KHGXFEFCPSFJNO-UHFFFAOYSA-N 0 0 396.470 3.917 20 10 GHCDRN COc1ccc(N2CCN(C[C@H](O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000060460823 859309557 /nfs/dbraw/zinc/30/95/57/859309557.db2.gz JVPQJQXNMDFMGN-IBGZPJMESA-N 0 0 380.410 3.570 20 10 GHCDRN COC(=O)Nc1cc(C(=O)NCc2cc(OC)ccc2O)cc(C(F)(F)F)c1 ZINC000764322679 859392228 /nfs/dbraw/zinc/39/22/28/859392228.db2.gz UBACUEDIVRKPFU-UHFFFAOYSA-N 0 0 398.337 3.528 20 10 GHCDRN CN(C)c1ccc(CNC(=O)C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)cc1 ZINC000785428655 859393849 /nfs/dbraw/zinc/39/38/49/859393849.db2.gz QLYSUJXGWZZXBG-OAQYLSRUSA-N 0 0 397.494 3.556 20 10 GHCDRN CO[C@H](CNC(=O)NCCCSc1nccs1)c1ccccc1Cl ZINC000764362463 859414744 /nfs/dbraw/zinc/41/47/44/859414744.db2.gz YZHSSIZFTUEORX-CQSZACIVSA-N 0 0 385.942 3.966 20 10 GHCDRN COCc1ccc(/C=C2/SC(=S)N(c3ccc(OC)c(F)c3)C2=O)o1 ZINC000764410782 859431521 /nfs/dbraw/zinc/43/15/21/859431521.db2.gz 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CC[C@H](C)N(Cc1cc(F)cc(C(C)=O)c1O)Cc1nc2ccccc2c(=O)[nH]1 ZINC000175681049 877422669 /nfs/dbraw/zinc/42/26/69/877422669.db2.gz BZWBHFKBLBYVFB-ZDUSSCGKSA-N 0 0 397.450 3.771 20 10 GHCDRN CN(Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)Cc1ccccc1O ZINC000109771107 877428114 /nfs/dbraw/zinc/42/81/14/877428114.db2.gz UBYOUEFEVRPEGR-UHFFFAOYSA-N 0 0 377.469 3.989 20 10 GHCDRN CC[C@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000175674299 877450807 /nfs/dbraw/zinc/45/08/07/877450807.db2.gz RPMOCJKDVSALPO-HXUWFJFHSA-N 0 0 399.510 3.825 20 10 GHCDRN C[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)s1 ZINC000175674541 877450892 /nfs/dbraw/zinc/45/08/92/877450892.db2.gz VSRMNZUYFCNVBB-GFCCVEGCSA-N 0 0 382.888 3.797 20 10 GHCDRN C[C@H](OC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)c1nnnn1C ZINC000787567651 877487696 /nfs/dbraw/zinc/48/76/96/877487696.db2.gz ZPQWAAOCLYAYOY-ZDUSSCGKSA-N 0 0 379.424 3.610 20 10 GHCDRN CCOC(=O)[C@@H](NCc1cc(C(C)C)ccc1O)[C@@H](O)c1ccc(Cl)cc1 ZINC001183053346 912247095 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CN(C)c1ccc(-c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)cc1 ZINC000008042131 877916244 /nfs/dbraw/zinc/91/62/44/877916244.db2.gz GLSJOWKRDVEXPN-UHFFFAOYSA-N 0 0 387.530 3.939 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000788232322 877968490 /nfs/dbraw/zinc/96/84/90/877968490.db2.gz GIVFMJBLHAUWOD-HXUWFJFHSA-N 0 0 381.520 3.581 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)OC3CCC4(CC3)OCCO4)ccc21 ZINC000776556899 878006550 /nfs/dbraw/zinc/00/65/50/878006550.db2.gz TXIXTXLUOZKABL-UHFFFAOYSA-N 0 0 387.476 3.747 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCCN(C(=O)C(C)C)CC1 ZINC000068186623 878083772 /nfs/dbraw/zinc/08/37/72/878083772.db2.gz VOGXCIZDQAVGLR-UHFFFAOYSA-N 0 0 381.520 3.733 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1CCO[C@@H]1c1ccnn1C(C)C ZINC000551981462 878104312 /nfs/dbraw/zinc/10/43/12/878104312.db2.gz KGLZSBCMMHNRMR-UWJYYQICSA-N 0 0 380.492 3.658 20 10 GHCDRN Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])cc1F ZINC000788521310 878126136 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385.430 3.646 20 10 GHCDRN COCCN(C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@H](C)c1ccccc1 ZINC000852455775 878336880 /nfs/dbraw/zinc/33/68/80/878336880.db2.gz VSYXZRNDGABISY-UYAOXDASSA-N 0 0 397.519 3.693 20 10 GHCDRN Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cccc(C(F)(F)F)c3[O-])C2)n(C)n1 ZINC000788777802 878339913 /nfs/dbraw/zinc/33/99/13/878339913.db2.gz VUNACXUIQYHHJO-ZIAGYGMSSA-N 0 0 382.430 3.773 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NCC(F)(F)c3ccccc3)CC2)cc1 ZINC000788846129 878380648 /nfs/dbraw/zinc/38/06/48/878380648.db2.gz KSJYHZINKHDVSI-UHFFFAOYSA-N 0 0 389.446 3.709 20 10 GHCDRN CC(C)[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1F ZINC000852524564 878398052 /nfs/dbraw/zinc/39/80/52/878398052.db2.gz LVRMBSHPCVNEAZ-JOCHJYFZSA-N 0 0 399.510 3.983 20 10 GHCDRN CC1CCN(c2ccc(CNS(=O)(=O)C3=Cc4ccccc4OC3)cc2)CC1 ZINC000788889064 878411342 /nfs/dbraw/zinc/41/13/42/878411342.db2.gz BTJRDIMVBXCSAQ-UHFFFAOYSA-N 0 0 398.528 3.776 20 10 GHCDRN CCn1ncc2ccc(NC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cc21 ZINC000746770592 878411596 /nfs/dbraw/zinc/41/15/96/878411596.db2.gz FCNNNDCAPQONSA-INIZCTEOSA-N 0 0 393.491 3.776 20 10 GHCDRN CCn1ncc2ccc(NC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc21 ZINC000746770595 878411623 /nfs/dbraw/zinc/41/16/23/878411623.db2.gz FCNNNDCAPQONSA-MRXNPFEDSA-N 0 0 393.491 3.776 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2ccc(Cl)s2)cc1 ZINC000788940401 878487207 /nfs/dbraw/zinc/48/72/07/878487207.db2.gz SFJBDFLCGJRPFK-UHFFFAOYSA-N 0 0 393.940 3.523 20 10 GHCDRN CC(C)Oc1cccc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000068479428 878611125 /nfs/dbraw/zinc/61/11/25/878611125.db2.gz GIQHCDAOMUPVGW-SFHVURJKSA-N 0 0 397.519 3.871 20 10 GHCDRN C[C@@H](NC(=O)Nc1ccccc1-n1cccn1)c1ccc(N2CCOCC2)cc1 ZINC000068483645 878613322 /nfs/dbraw/zinc/61/33/22/878613322.db2.gz LRTBDLOAGMOHJI-QGZVFWFLSA-N 0 0 391.475 3.592 20 10 GHCDRN C[C@@H](NC(=O)c1cccc(OC(F)F)c1)c1ccc(N2CCOCC2)cc1 ZINC000068512516 878654722 /nfs/dbraw/zinc/65/47/22/878654722.db2.gz PELZHVWHBUNMNH-CQSZACIVSA-N 0 0 376.403 3.616 20 10 GHCDRN C[C@@H](CCc1ccc(O)cc1)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068548852 878726768 /nfs/dbraw/zinc/72/67/68/878726768.db2.gz XNVGFYPREDYCFR-ROUUACIJSA-N 0 0 397.519 3.610 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1Cc2c[nH]nc2CC(C)(C)C1 ZINC000852988358 878728223 /nfs/dbraw/zinc/72/82/23/878728223.db2.gz ZSPLPHMPBXBIFB-MRXNPFEDSA-N 0 0 383.540 3.509 20 10 GHCDRN Cc1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)ccc1N1CCOCC1 ZINC000897364624 878869832 /nfs/dbraw/zinc/86/98/32/878869832.db2.gz FKBKAXDOQUPXJD-UHFFFAOYSA-N 0 0 384.457 3.710 20 10 GHCDRN O=C(CN1CC(=O)N(CC2CC2)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000789378078 878915188 /nfs/dbraw/zinc/91/51/88/878915188.db2.gz NLFWDOXMYNIVNY-UHFFFAOYSA-N 0 0 377.448 3.552 20 10 GHCDRN C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(N2CCCC2=O)c1 ZINC000068708912 878925979 /nfs/dbraw/zinc/92/59/79/878925979.db2.gz KLHCBQHHBUZKDA-KRWDZBQOSA-N 0 0 394.519 3.782 20 10 GHCDRN COC(=O)CN(Cc1nc2c(s1)CCCC2)Cc1cc(Cl)ccc1O ZINC000776666761 879009812 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GHCDRN COC(=O)/C=C/c1ccc(N2CC3(CCOCC3)[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000853819283 879307012 /nfs/dbraw/zinc/30/70/12/879307012.db2.gz PJWKHUXFAIYHSP-ZEZYUPADSA-N 0 0 398.415 3.732 20 10 GHCDRN O=C(NCCCSc1nccs1)N[C@H](c1cccs1)C1(CO)CCC1 ZINC000853856060 879333916 /nfs/dbraw/zinc/33/39/16/879333916.db2.gz PNLYVNNMQFAFLT-CQSZACIVSA-N 0 0 397.591 3.890 20 10 GHCDRN O=C(NCCCSc1nccs1)NC[C@@H](OC1CCCC1)C(F)(F)F ZINC000853855965 879334678 /nfs/dbraw/zinc/33/46/78/879334678.db2.gz MXRVRABEWCYCEZ-GFCCVEGCSA-N 0 0 397.488 3.815 20 10 GHCDRN CC(C)[C@H]1C[C@]([NH2+]Cc2ccc(N3CCOCC3)cc2)(C(=O)[O-])c2ccccc21 ZINC000789903656 879348166 /nfs/dbraw/zinc/34/81/66/879348166.db2.gz JWFWWHCEYMOTIZ-ZJSXRUAMSA-N 0 0 394.515 3.736 20 10 GHCDRN O=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)c1c(F)ccc(O)c1O ZINC000789956267 879364053 /nfs/dbraw/zinc/36/40/53/879364053.db2.gz DBGCNKJHZHSQHK-AWEZNQCLSA-N 0 0 396.821 3.596 20 10 GHCDRN OC1CCN(c2ccc(CNc3cc(-c4ccccc4)nc4ccnn43)cc2)CC1 ZINC000853958574 879402826 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O=C(NCc1noc2cc(F)ccc21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000876267204 893042725 /nfs/dbraw/zinc/04/27/25/893042725.db2.gz BNKOKEQWKMUOQZ-INIZCTEOSA-N 0 0 399.422 3.563 20 10 GHCDRN CCn1c(-c2ccc(Br)cc2)cnc1SC[C@@H]1CNC(=O)O1 ZINC000918049302 893054251 /nfs/dbraw/zinc/05/42/51/893054251.db2.gz LZBNYCQGQYWPJJ-LBPRGKRZSA-N 0 0 382.283 3.533 20 10 GHCDRN C[C@H]1C[C@H]1c1ccc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)o1 ZINC000918070305 893058762 /nfs/dbraw/zinc/05/87/62/893058762.db2.gz AGCFRPKAIDKFTD-HNAYVOBHSA-N 0 0 385.533 3.956 20 10 GHCDRN COc1c(O)c(CN2CCn3cccc3[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774841870 913733039 /nfs/dbraw/zinc/73/30/39/913733039.db2.gz QLEUFRJHPDDPKP-LJQANCHMSA-N 0 0 379.416 3.716 20 10 GHCDRN O=C(NCc1ccc(O)c(Cl)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000876393318 893123406 /nfs/dbraw/zinc/12/34/06/893123406.db2.gz KZAWHVXNHDFDDU-MRXNPFEDSA-N 0 0 390.867 3.642 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)cc1 ZINC000918112567 893141546 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CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1 ZINC000918208665 893359791 /nfs/dbraw/zinc/35/97/91/893359791.db2.gz HAMXRNQQLHBZPJ-HXUWFJFHSA-N 0 0 380.536 3.859 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)NCc2ccc(OC)cc2OC)cc1 ZINC000918234510 893383121 /nfs/dbraw/zinc/38/31/21/893383121.db2.gz CDKMQJVKUAKGRH-UHFFFAOYSA-N 0 0 385.508 3.892 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC4(C[C@H]3C)CCOCC4)ccc21 ZINC000648613794 893523822 /nfs/dbraw/zinc/52/38/22/893523822.db2.gz VOOPILKXKYVEOW-MRXNPFEDSA-N 0 0 384.520 3.936 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3cc4ccc(OC)cc4[nH]3)CC2)cc1 ZINC000918369046 893556717 /nfs/dbraw/zinc/55/67/17/893556717.db2.gz LCNSUYANICKTSZ-UHFFFAOYSA-N 0 0 379.460 3.538 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)CN2C[C@@H]3CCCCN3c3ccccc32)cc1 ZINC000815227734 893583011 /nfs/dbraw/zinc/58/30/11/893583011.db2.gz IRMPVKWHWBELBA-NRFANRHFSA-N 0 0 392.547 3.590 20 10 GHCDRN COc1ccc(Cn2ccc(NCc3ccc(N4CCC(O)CC4)cc3)n2)cc1 ZINC000877428314 893599965 /nfs/dbraw/zinc/59/99/65/893599965.db2.gz IGWFPYZORWXDBZ-UHFFFAOYSA-N 0 0 392.503 3.513 20 10 GHCDRN Cc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(Cl)c1 ZINC000918455230 893719254 /nfs/dbraw/zinc/71/92/54/893719254.db2.gz HKYWVEHAZXXPLU-UHFFFAOYSA-N 0 0 385.895 3.844 20 10 GHCDRN CC(=O)N1CCN(c2ccc(NCc3ccc4ccccc4c3O)cc2)CC1 ZINC000877774112 893806326 /nfs/dbraw/zinc/80/63/26/893806326.db2.gz HHDUXRMOLHREME-UHFFFAOYSA-N 0 0 375.472 3.826 20 10 GHCDRN Cc1cc(Br)c(O)c([C@H]2NC(C)(C)C(=O)N2c2ccccc2)c1 ZINC000877857694 893860437 /nfs/dbraw/zinc/86/04/37/893860437.db2.gz XRASQHVMNFDNRG-INIZCTEOSA-N 0 0 375.266 3.877 20 10 GHCDRN CN(C)c1ccc(CN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C2CC2)cc1 ZINC000877977407 893924484 /nfs/dbraw/zinc/92/44/84/893924484.db2.gz PLEDOOHJUBYRMM-UHFFFAOYSA-N 0 0 393.447 3.875 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@@H](Cn3ccnn3)C2)c(C)n1-c1ccccc1C ZINC000126869248 893971938 /nfs/dbraw/zinc/97/19/38/893971938.db2.gz NBEWESVVCIARFT-LJQANCHMSA-N 0 0 377.492 3.546 20 10 GHCDRN C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cccc(C(F)(F)F)c1[O-] ZINC000815561372 893998691 /nfs/dbraw/zinc/99/86/91/893998691.db2.gz FJZWWSKQGDKNOC-LBPRGKRZSA-N 0 0 387.423 3.806 20 10 GHCDRN C[C@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000815577705 894016742 /nfs/dbraw/zinc/01/67/42/894016742.db2.gz WRCOAYBZKIWDOE-QWRGUYRKSA-N 0 0 391.336 3.780 20 10 GHCDRN COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])C1=O ZINC000815595926 894034098 /nfs/dbraw/zinc/03/40/98/894034098.db2.gz GBEZCXYEOPNVTI-IUODEOHRSA-N 0 0 394.393 3.876 20 10 GHCDRN Cc1c(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cccc1-c1ncco1 ZINC000815575354 894041086 /nfs/dbraw/zinc/04/10/86/894041086.db2.gz PIIVZDWRWLLQFS-HNNXBMFYSA-N 0 0 392.459 3.532 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2nc(C(C)C)ncc2Br)c1 ZINC000934940108 894056597 /nfs/dbraw/zinc/05/65/97/894056597.db2.gz IENRNGBFVIXNCN-JTQLQIEISA-N 0 0 394.269 3.568 20 10 GHCDRN C[C@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1cccc(C(F)(F)F)c1O ZINC000815627743 894059057 /nfs/dbraw/zinc/05/90/57/894059057.db2.gz IHDCKELNUIGLKU-ZDUSSCGKSA-N 0 0 393.409 3.516 20 10 GHCDRN CCc1cc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1C ZINC000778288328 894089057 /nfs/dbraw/zinc/08/90/57/894089057.db2.gz SZBWPBIQMUKAAS-LJQANCHMSA-N 0 0 394.519 3.581 20 10 GHCDRN C[C@@H]1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)[C@@H](C(N)=O)C1 ZINC000778290011 894090646 /nfs/dbraw/zinc/09/06/46/894090646.db2.gz NPYLEDXDIMIGMA-DNVCBOLYSA-N 0 0 379.464 3.626 20 10 GHCDRN C[C@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)C(C)(F)F ZINC000815710147 894144514 /nfs/dbraw/zinc/14/45/14/894144514.db2.gz DLZTTZIAHLNRSO-CZUORRHYSA-N 0 0 399.482 3.726 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2sc([C@@H]3CCCOC3)nc2C)c1 ZINC000815834960 894247295 /nfs/dbraw/zinc/24/72/95/894247295.db2.gz GIKOQALXEURQBP-WCQYABFASA-N 0 0 376.478 3.551 20 10 GHCDRN O=C(c1cnc2c(F)cccc2c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000815860687 894275107 /nfs/dbraw/zinc/27/51/07/894275107.db2.gz WTKZLXZWURPBFD-SFHVURJKSA-N 0 0 380.419 3.901 20 10 GHCDRN COc1c([O-])c(C[N@H+](C)CCc2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000774877251 913859504 /nfs/dbraw/zinc/85/95/04/913859504.db2.gz XHFPAWLVDIRITI-UHFFFAOYSA-N 0 0 395.253 3.746 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3cccc([C@@H](C)OC)c3)CC2)c(OC)c1 ZINC000878563310 894387248 /nfs/dbraw/zinc/38/72/48/894387248.db2.gz QKIOJLRZRMRMCL-MRXNPFEDSA-N 0 0 399.491 3.765 20 10 GHCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3ccccc3C3(C)CC3)c2)CC1 ZINC000935535049 894596380 /nfs/dbraw/zinc/59/63/80/894596380.db2.gz NPNZLSKQUOAFHG-UHFFFAOYSA-N 0 0 377.488 3.659 20 10 GHCDRN O=C(NCc1ccc(F)cc1)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001185465246 913889613 /nfs/dbraw/zinc/88/96/13/913889613.db2.gz IDCDUHDZOGGZPC-UHFFFAOYSA-N 0 0 397.372 3.756 20 10 GHCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnc(C2CC2)o1 ZINC000879003769 894775542 /nfs/dbraw/zinc/77/55/42/894775542.db2.gz SETFDLODZZYPGV-ZDUSSCGKSA-N 0 0 377.391 3.552 20 10 GHCDRN O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816487772 894855037 /nfs/dbraw/zinc/85/50/37/894855037.db2.gz XQZRTYIPOQBUQO-UHFFFAOYSA-N 0 0 394.849 3.852 20 10 GHCDRN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816515507 894894285 /nfs/dbraw/zinc/89/42/85/894894285.db2.gz BJCAVVCDTILCCF-NSHDSACASA-N 0 0 396.812 3.808 20 10 GHCDRN COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1cc(Cl)c(F)cc1[O-])CC2 ZINC000816519243 894895340 /nfs/dbraw/zinc/89/53/40/894895340.db2.gz CPQRQSLKQTZOMA-UHFFFAOYSA-N 0 0 395.858 3.811 20 10 GHCDRN O=C(NCc1ccco1)c1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000816535791 894905968 /nfs/dbraw/zinc/90/59/68/894905968.db2.gz ADUGCVAOHRSXDD-UHFFFAOYSA-N 0 0 388.826 3.998 20 10 GHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000816549893 894917565 /nfs/dbraw/zinc/91/75/65/894917565.db2.gz BLNZEYSXMNVUTR-GDBMZVCRSA-N 0 0 377.765 3.809 20 10 GHCDRN COc1c(Br)ccc(C)c1C(=O)NCc1ccc(N(C)C)cc1 ZINC001135643666 894971512 /nfs/dbraw/zinc/97/15/12/894971512.db2.gz XVDGIEDTRNFRRH-UHFFFAOYSA-N 0 0 377.282 3.762 20 10 GHCDRN O=C(COc1ccc(Cl)c(F)c1)NCc1cc(Br)ccc1O ZINC000816653829 894997304 /nfs/dbraw/zinc/99/73/04/894997304.db2.gz JVIZRDRLRDNTBB-UHFFFAOYSA-N 0 0 388.620 3.642 20 10 GHCDRN CC(C)[C@@]1(CO)CCC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000816662722 895008269 /nfs/dbraw/zinc/00/82/69/895008269.db2.gz WZBWGYOUWQYDFM-NRFANRHFSA-N 0 0 375.513 3.816 20 10 GHCDRN CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC000729587794 895054054 /nfs/dbraw/zinc/05/40/54/895054054.db2.gz RKIQZVHQOOQDNU-CYBMUJFWSA-N 0 0 398.419 3.587 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CCCCCN2C(=O)OC(C)(C)C)cc1 ZINC001135690481 895058868 /nfs/dbraw/zinc/05/88/68/895058868.db2.gz VWGALVVXUVAFBG-LJQANCHMSA-N 0 0 389.540 3.891 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1nn(CC(F)(F)F)cc1Cl ZINC000879919868 895403149 /nfs/dbraw/zinc/40/31/49/895403149.db2.gz IVUDMZRSEGEQPN-UHFFFAOYSA-N 0 0 399.804 3.797 20 10 GHCDRN CC(=O)N1CCCc2cc(NCc3ccc(N4CCOCC4)c(F)c3)ccc21 ZINC000128118824 895424163 /nfs/dbraw/zinc/42/41/63/895424163.db2.gz HRUJGKRFONRAFA-UHFFFAOYSA-N 0 0 383.467 3.574 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2cn(C)nc2Br)cc1 ZINC000880040052 895474646 /nfs/dbraw/zinc/47/46/46/895474646.db2.gz QCJAZMLAURBRNE-UHFFFAOYSA-N 0 0 394.317 3.693 20 10 GHCDRN COc1c([O-])c(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)ccc1[N+](=O)[O-] ZINC000817409117 895587978 /nfs/dbraw/zinc/58/79/78/895587978.db2.gz ZTRDUDVBMCURTI-AWEZNQCLSA-N 0 0 378.812 3.966 20 10 GHCDRN CC[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2[O-])CCO1 ZINC000817414507 895591120 /nfs/dbraw/zinc/59/11/20/895591120.db2.gz GTJFEQBIDGETBD-NEPJUHHUSA-N 0 0 393.119 3.964 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)Cc2ccccc2C(=O)OC(C)(C)C)cc1 ZINC001135914740 895592159 /nfs/dbraw/zinc/59/21/59/895592159.db2.gz OSYLCWOSTGDKSV-UHFFFAOYSA-N 0 0 382.504 3.909 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)cc1 ZINC001135914536 895592457 /nfs/dbraw/zinc/59/24/57/895592457.db2.gz JGGVSKRAENRSGX-QZTJIDSGSA-N 0 0 389.540 3.650 20 10 GHCDRN Cc1c(F)cccc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000817428435 895620103 /nfs/dbraw/zinc/62/01/03/895620103.db2.gz LLUZGVCUSSBRCY-UHFFFAOYSA-N 0 0 396.384 3.920 20 10 GHCDRN CC(=O)N/C(=C\c1cccs1)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000817525544 895711805 /nfs/dbraw/zinc/71/18/05/895711805.db2.gz QZMAKIQJMYHYRV-ZHZULCJRSA-N 0 0 383.517 3.532 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)C1CCC1 ZINC000817517794 895734637 /nfs/dbraw/zinc/73/46/37/895734637.db2.gz WMSFLBQVYALIIU-IBGZPJMESA-N 0 0 387.524 3.596 20 10 GHCDRN CCNc1ncc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)s1 ZINC000128510897 895755578 /nfs/dbraw/zinc/75/55/78/895755578.db2.gz YGJGFFVOTZHADP-UHFFFAOYSA-N 0 0 396.463 3.575 20 10 GHCDRN COC1([C@H](C)[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])CCOCC1 ZINC000817589200 895759897 /nfs/dbraw/zinc/75/98/97/895759897.db2.gz VYMMLBSYVNSWBI-QWRGUYRKSA-N 0 0 376.266 3.529 20 10 GHCDRN O=C(Cc1ccc(OC(F)F)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000302814453 914018023 /nfs/dbraw/zinc/01/80/23/914018023.db2.gz LBYUJCLLVVKQQZ-SFHVURJKSA-N 0 0 391.414 3.744 20 10 GHCDRN COC[C@H]1CCN1C(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000817815277 895900936 /nfs/dbraw/zinc/90/09/36/895900936.db2.gz MPMMWGQAPVYSEU-MRXNPFEDSA-N 0 0 377.282 3.718 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)c1 ZINC000128651498 895933518 /nfs/dbraw/zinc/93/35/18/895933518.db2.gz RKJRLMMGQXNUCE-AWEZNQCLSA-N 0 0 390.439 3.889 20 10 GHCDRN CC(C)[C@@H](NC(=O)c1csc(Cc2ccc(N)cc2)n1)c1nc(C2CC2)no1 ZINC000817933494 895965332 /nfs/dbraw/zinc/96/53/32/895965332.db2.gz GYVGURUYFSOJLP-QGZVFWFLSA-N 0 0 397.504 3.704 20 10 GHCDRN C[C@@H]([NH2+]CCCNCc1cccnc1)c1cc(Br)c(F)cc1[O-] ZINC000817939528 895968091 /nfs/dbraw/zinc/96/80/91/895968091.db2.gz DPJKBVDUDRXKLP-GFCCVEGCSA-N 0 0 382.277 3.519 20 10 GHCDRN Nc1ccc(Cc2nc(C(=O)NCC3([C@H](O)c4ccccc4)CC3)cs2)cc1 ZINC000817998131 895982465 /nfs/dbraw/zinc/98/24/65/895982465.db2.gz DPJUSSMBNWPTJU-HXUWFJFHSA-N 0 0 393.512 3.560 20 10 GHCDRN Nc1ccc(Cc2nc(C(=O)N[C@@H]3[C@@H]4CCc5ccccc5[C@@H]43)cs2)cc1 ZINC000817999708 895983697 /nfs/dbraw/zinc/98/36/97/895983697.db2.gz UFVUSIVMGWXCCO-JRGCBEDISA-N 0 0 375.497 3.774 20 10 GHCDRN O=C(C[C@@H]1CCC2(CCC2)O1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000888858523 896060872 /nfs/dbraw/zinc/06/08/72/896060872.db2.gz SIYUCOPNTITMQF-SFHVURJKSA-N 0 0 394.462 3.865 20 10 GHCDRN CNC(=O)N(C)c1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1 ZINC000881061703 896113207 /nfs/dbraw/zinc/11/32/07/896113207.db2.gz VNQKBRNPNDOZME-UHFFFAOYSA-N 0 0 397.523 3.971 20 10 GHCDRN Cc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1[N+](=O)[O-] ZINC000128908810 896270991 /nfs/dbraw/zinc/27/09/91/896270991.db2.gz YSVMXMHWZWMIJV-UHFFFAOYSA-N 0 0 386.363 3.931 20 10 GHCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(Cl)c(Cl)c3)c2)CC1 ZINC000041419441 896285633 /nfs/dbraw/zinc/28/56/33/896285633.db2.gz ORTFTQCUYWVYDD-UHFFFAOYSA-N 0 0 392.286 3.914 20 10 GHCDRN COc1ccc(O)c(CNC(=O)C[C@H](C)c2ccc(Br)cc2)c1 ZINC000128947846 896292038 /nfs/dbraw/zinc/29/20/38/896292038.db2.gz SAERNKIMJAMMPQ-LBPRGKRZSA-N 0 0 378.266 3.973 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=S)N[C@H](C)c3cccs3)C2)cc1 ZINC000819019906 896352076 /nfs/dbraw/zinc/35/20/76/896352076.db2.gz DXMNLYWWUZTYEP-CABCVRRESA-N 0 0 375.563 3.808 20 10 GHCDRN COc1ccc(N2CCN(C(=O)/C=C\c3nc4ccccc4s3)CC2)cc1 ZINC000211710812 896390808 /nfs/dbraw/zinc/39/08/08/896390808.db2.gz PRHPAXQETOQOTI-KHPPLWFESA-N 0 0 379.485 3.667 20 10 GHCDRN Cc1ccc(C2CC2)c(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000819139289 896395416 /nfs/dbraw/zinc/39/54/16/896395416.db2.gz JMQLLVQRRXYEAI-IBGZPJMESA-N 0 0 391.515 3.504 20 10 GHCDRN CN1C(=O)CCc2cc(C(=O)N(Cc3ccco3)Cc3ccccc3O)ccc21 ZINC000129533293 896720630 /nfs/dbraw/zinc/72/06/30/896720630.db2.gz OTVDESQOZNFWID-UHFFFAOYSA-N 0 0 390.439 3.737 20 10 GHCDRN COCCOc1ccccc1NC[C@H](O)COc1c(Cl)cccc1Cl ZINC000819423777 896721828 /nfs/dbraw/zinc/72/18/28/896721828.db2.gz DBBQVNVJYXKCRO-ZDUSSCGKSA-N 0 0 386.275 3.870 20 10 GHCDRN O[C@H](CNc1ccccc1OCCF)COc1ccc(Br)cc1 ZINC000819489295 896755633 /nfs/dbraw/zinc/75/56/33/896755633.db2.gz SFXHSKXHTJZMPN-CQSZACIVSA-N 0 0 384.245 3.649 20 10 GHCDRN Cc1cc2ncn(C[C@H](O)CNc3ccccc3OCC(F)F)c2cc1C ZINC000819460992 896772568 /nfs/dbraw/zinc/77/25/68/896772568.db2.gz YJRAGWYBSODJGC-OAHLLOKOSA-N 0 0 375.419 3.770 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cc(-c4ccccc4)on3)C2)cc1 ZINC000819581058 896823871 /nfs/dbraw/zinc/82/38/71/896823871.db2.gz SOUNAWLEZFOELN-MRXNPFEDSA-N 0 0 377.444 3.607 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cc(-c4ccccc4)on3)C2)cc1 ZINC000819581056 896824056 /nfs/dbraw/zinc/82/40/56/896824056.db2.gz SOUNAWLEZFOELN-INIZCTEOSA-N 0 0 377.444 3.607 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)CCC(=O)c3cc(C)ccc3C)C2)cc1 ZINC000819580656 896825442 /nfs/dbraw/zinc/82/54/42/896825442.db2.gz MOAKZGAUFWCUBV-LJQANCHMSA-N 0 0 394.515 3.918 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3sc(C)cc3OC(F)F)C2)cc1 ZINC000819581729 896826176 /nfs/dbraw/zinc/82/61/76/896826176.db2.gz 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GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)Nc3nccn3-c3ccccc3)C2)cc1 ZINC000824302440 899514469 /nfs/dbraw/zinc/51/44/69/899514469.db2.gz AYQIYPMGAPHARE-KRWDZBQOSA-N 0 0 391.475 3.529 20 10 GHCDRN COc1cc(F)c(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1F ZINC000156212830 899542154 /nfs/dbraw/zinc/54/21/54/899542154.db2.gz RYCCTDPAKBESTH-AWEZNQCLSA-N 0 0 392.402 3.892 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)Nc3ccc([C@H]4CCOC4)cc3)C2)cc1 ZINC000824360634 899554806 /nfs/dbraw/zinc/55/48/06/899554806.db2.gz RVBKUZKBVXUUFT-MJGOQNOKSA-N 0 0 395.503 3.847 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)Nc3ccc([C@@H]4CCOC4)cc3)C2)cc1 ZINC000824360635 899555098 /nfs/dbraw/zinc/55/50/98/899555098.db2.gz RVBKUZKBVXUUFT-PKOBYXMFSA-N 0 0 395.503 3.847 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cccc(N2CCCCC2=O)c1 ZINC000134106465 899584080 /nfs/dbraw/zinc/58/40/80/899584080.db2.gz ICWQRELJHHUAAZ-UHFFFAOYSA-N 0 0 390.487 3.901 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N[C@@H](CC(F)(F)F)C(C)C)C2)cc1 ZINC000824512101 899680305 /nfs/dbraw/zinc/68/03/05/899680305.db2.gz MVYHFGLCBGJTGW-PBHICJAKSA-N 0 0 387.446 3.798 20 10 GHCDRN CC1(C)OCC[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000824625063 899745815 /nfs/dbraw/zinc/74/58/15/899745815.db2.gz DWOCLYIBXOTCHQ-LLVKDONJSA-N 0 0 379.092 3.574 20 10 GHCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2conc2C(F)(F)F)cc1 ZINC000824778819 899801884 /nfs/dbraw/zinc/80/18/84/899801884.db2.gz UACIVJILDZFVBQ-HNNXBMFYSA-N 0 0 397.397 3.581 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1=CC(=O)CS1 ZINC000824831482 899853753 /nfs/dbraw/zinc/85/37/53/899853753.db2.gz ULVWSFWSXMYLSI-LSDHHAIUSA-N 0 0 380.510 3.848 20 10 GHCDRN CC(C)(C)OC(=O)N1Cc2ccc(NCc3cc4c(cc3O)OCO4)cc2C1 ZINC000824878992 899881796 /nfs/dbraw/zinc/88/17/96/899881796.db2.gz YFOMKIBRZSITLP-UHFFFAOYSA-N 0 0 384.432 3.984 20 10 GHCDRN Cc1ccc(CN2CCOCC2)cc1NCc1ccc(Br)cc1O ZINC000825026642 899942961 /nfs/dbraw/zinc/94/29/61/899942961.db2.gz KGGUIVHTFMUCAV-UHFFFAOYSA-N 0 0 391.309 3.907 20 10 GHCDRN CN(C(=O)c1ccc(NCc2cc(F)cc(F)c2O)cc1)C1CCOCC1 ZINC001202724275 899955159 /nfs/dbraw/zinc/95/51/59/899955159.db2.gz SFWIXEGLNSVWMC-UHFFFAOYSA-N 0 0 376.403 3.534 20 10 GHCDRN CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000825261607 900057134 /nfs/dbraw/zinc/05/71/34/900057134.db2.gz ACOHAHXDCKFOIM-FZMZJTMJSA-N 0 0 399.875 3.737 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccn(C2CCOCC2)n1 ZINC000825330984 900097233 /nfs/dbraw/zinc/09/72/33/900097233.db2.gz HSXVRKBZPYAAGQ-UHFFFAOYSA-N 0 0 385.512 3.743 20 10 GHCDRN CCCC(=O)NC[C@@H]1CCCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC000825337667 900103300 /nfs/dbraw/zinc/10/33/00/900103300.db2.gz NYMUABAGBKIPLK-FQEVSTJZSA-N 0 0 395.547 3.792 20 10 GHCDRN C[C@@H](CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCCO1 ZINC000825429306 900139694 /nfs/dbraw/zinc/13/96/94/900139694.db2.gz JKENAISZYXQVDY-KSSFIOAISA-N 0 0 382.451 3.578 20 10 GHCDRN CCc1cc(C)c(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)o1 ZINC000135043080 900169344 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COc1c([O-])c(C[NH2+][C@H](CN2CCCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000775001589 914448226 /nfs/dbraw/zinc/44/82/26/914448226.db2.gz BMTNDHZGYZDKHA-GOSISDBHSA-N 0 0 385.464 3.626 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](OC)c1ccccc1 ZINC000137252315 900845290 /nfs/dbraw/zinc/84/52/90/900845290.db2.gz YWURIDCQOVPYLL-QGZVFWFLSA-N 0 0 378.266 3.891 20 10 GHCDRN COc1ccc(N2CCN(C(=O)N[C@H](C)C3CCCCC3)CC2)c(OC)c1 ZINC001186338297 914486734 /nfs/dbraw/zinc/48/67/34/914486734.db2.gz GKWLMQDJUAPRNZ-MRXNPFEDSA-N 0 0 375.513 3.504 20 10 GHCDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC000844520582 900956907 /nfs/dbraw/zinc/95/69/07/900956907.db2.gz YIZNVNHAPRSZIM-GFCCVEGCSA-N 0 0 375.856 3.896 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC(C)(C)[C@H]3[C@@H]3CCCO3)ccc21 ZINC000574676496 900966914 /nfs/dbraw/zinc/96/69/14/900966914.db2.gz YFCFIWLHMSGKTR-LEWJYISDSA-N 0 0 384.520 3.934 20 10 GHCDRN Cc1nn(CC2CC2)c(C)c1CC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000844581657 901031879 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Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)ccc1C ZINC001144246303 901447765 /nfs/dbraw/zinc/44/77/65/901447765.db2.gz DOQYXUZHTBSCDC-GOTSBHOMSA-N 0 0 388.467 3.603 20 10 GHCDRN CC(C)(C)OC(=O)NC1CCC(NC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000845002757 901633671 /nfs/dbraw/zinc/63/36/71/901633671.db2.gz MFXJKYJWIXRSFK-UHFFFAOYSA-N 0 0 397.903 3.681 20 10 GHCDRN CC(=O)N1CCCCC12CC[NH+](Cc1cc(Br)c(F)cc1[O-])CC2 ZINC001144299898 901651632 /nfs/dbraw/zinc/65/16/32/901651632.db2.gz LVJBFOZHCWUDAQ-UHFFFAOYSA-N 0 0 399.304 3.661 20 10 GHCDRN CCc1nc(C2CC[NH+](Cc3cc(Br)c(F)cc3[O-])CC2)no1 ZINC001144306397 901685343 /nfs/dbraw/zinc/68/53/43/901685343.db2.gz AEAUINCBWQUMLP-UHFFFAOYSA-N 0 0 384.249 3.619 20 10 GHCDRN Cc1cnccc1O[C@H]1CC[N@H+](Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144307705 901699489 /nfs/dbraw/zinc/69/94/89/901699489.db2.gz AJYGKNBUWYAQQZ-ZDUSSCGKSA-N 0 0 381.245 3.651 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000778931132 901865497 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GHCDRN C[C@H](NC(=O)c1cccc2c1OC(C)(C)C2)c1ccc(N2CCOCC2)cc1 ZINC000846836469 903258453 /nfs/dbraw/zinc/25/84/53/903258453.db2.gz RLXCNQFSWIZWRR-INIZCTEOSA-N 0 0 380.488 3.728 20 10 GHCDRN C/C(=C/c1cccnc1)C(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000846912534 903327588 /nfs/dbraw/zinc/32/75/88/903327588.db2.gz WJFCPMYISQWJAJ-RBAUTDOXSA-N 0 0 375.472 3.628 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000775039852 914707223 /nfs/dbraw/zinc/70/72/23/914707223.db2.gz VNGNJQVNURKHQW-KRWDZBQOSA-N 0 0 389.499 3.708 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCCc2nnc[nH]2)cc1 ZINC000847029379 903408375 /nfs/dbraw/zinc/40/83/75/903408375.db2.gz MGTXVEGHUUTBJP-UHFFFAOYSA-N 0 0 377.452 3.649 20 10 GHCDRN O=C(NCc1coc2ccccc12)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000265141143 903660535 /nfs/dbraw/zinc/66/05/35/903660535.db2.gz LYDVEKIPWODENZ-UHFFFAOYSA-N 0 0 397.450 3.532 20 10 GHCDRN COc1ccc(N2CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)c(C)c1 ZINC001186677514 914746034 /nfs/dbraw/zinc/74/60/34/914746034.db2.gz JJSHLZVEKQOSFF-UHFFFAOYSA-N 0 0 383.536 3.804 20 10 GHCDRN NC(=O)N=Nc1ccc(C(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)cc1 ZINC001147450331 903800621 /nfs/dbraw/zinc/80/06/21/903800621.db2.gz DFOLHXMSXOJUBG-OAHLLOKOSA-N 0 0 385.399 3.831 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccccc1SCCC(N)=O ZINC000265448189 903895594 /nfs/dbraw/zinc/89/55/94/903895594.db2.gz BIKNPANBTAOHDT-UHFFFAOYSA-N 0 0 387.505 3.804 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)CSc2nccn2-c2cc(C)cc(C)c2)c1 ZINC001147957815 903933459 /nfs/dbraw/zinc/93/34/59/903933459.db2.gz WUCWGVJHFANBQP-UHFFFAOYSA-N 0 0 381.501 3.912 20 10 GHCDRN Cc1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCCC2=O)c(C)n1-c1ccccc1C ZINC000779076998 903967532 /nfs/dbraw/zinc/96/75/32/903967532.db2.gz FAOIQWYMCGPCAK-RXVVDRJESA-N 0 0 380.488 3.613 20 10 GHCDRN C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C(=O)OC(C)(C)C ZINC000775048822 914775253 /nfs/dbraw/zinc/77/52/53/914775253.db2.gz UPICAYOARSHZBX-FZMZJTMJSA-N 0 0 399.875 3.831 20 10 GHCDRN COc1ccc(NC(=O)c2ccc(NC(=O)c3cccc(O)c3O)cc2)cc1 ZINC001148218876 904009929 /nfs/dbraw/zinc/00/99/29/904009929.db2.gz LPQCQGRQLZRXPA-UHFFFAOYSA-N 0 0 378.384 3.611 20 10 GHCDRN CN(C)c1ccc(CNC(=O)Cc2ccccc2NC(=O)OC(C)(C)C)cc1 ZINC000159732231 904010681 /nfs/dbraw/zinc/01/06/81/904010681.db2.gz NCSZIVKFTXEXBX-UHFFFAOYSA-N 0 0 383.492 3.959 20 10 GHCDRN CC(C)NC(=O)c1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000151089650 904067541 /nfs/dbraw/zinc/06/75/41/904067541.db2.gz HOJRJDWCXRVAEN-UHFFFAOYSA-N 0 0 378.476 3.523 20 10 GHCDRN COC(=O)N(C)Cc1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000151800674 904197897 /nfs/dbraw/zinc/19/78/97/904197897.db2.gz UQUWUHXSMNRAPP-UHFFFAOYSA-N 0 0 394.475 3.583 20 10 GHCDRN O=S(=O)(Nc1ccc(O)c(F)c1)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001186774420 914798386 /nfs/dbraw/zinc/79/83/86/914798386.db2.gz YBEHAHNOZCIZEB-UHFFFAOYSA-N 0 0 385.722 3.884 20 10 GHCDRN COCC1(c2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)CCCCC1 ZINC000579061233 904322190 /nfs/dbraw/zinc/32/21/90/904322190.db2.gz RMMPGFBDMRPDNZ-UHFFFAOYSA-N 0 0 397.500 3.801 20 10 GHCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(C)c(N(C)C)c2)cc1F ZINC001186786144 914807692 /nfs/dbraw/zinc/80/76/92/914807692.db2.gz DAUXKPRFNWALTO-UHFFFAOYSA-N 0 0 393.528 3.525 20 10 GHCDRN C[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000773002347 904358972 /nfs/dbraw/zinc/35/89/72/904358972.db2.gz ZNYWTFGGEMWNAW-ONTRVFCTSA-N 0 0 399.922 3.803 20 10 GHCDRN Cc1nc(-c2ccc(S(=O)(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cc2)co1 ZINC000773083880 904416544 /nfs/dbraw/zinc/41/65/44/904416544.db2.gz KHFHHXLULHZZBX-AWEZNQCLSA-N 0 0 385.489 3.756 20 10 GHCDRN CC(C)n1ncc2cc(S(=O)(=O)N[C@@H](C)c3ccc(N(C)C)cc3)ccc21 ZINC000773083348 904416550 /nfs/dbraw/zinc/41/65/50/904416550.db2.gz FZDULHYTURZMIQ-HNNXBMFYSA-N 0 0 386.521 3.723 20 10 GHCDRN Cc1cnccc1/C=C/C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000826604091 904418866 /nfs/dbraw/zinc/41/88/66/904418866.db2.gz LVMWCVWGKIHHOA-MDGVGCGJSA-N 0 0 387.430 3.790 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)N2CCCN(c3cccnc3)CC2)c1 ZINC001186840758 914817043 /nfs/dbraw/zinc/81/70/43/914817043.db2.gz NYZVBQGNJXTDJD-UHFFFAOYSA-N 0 0 390.487 3.547 20 10 GHCDRN COC(=O)CCN(Cc1ccco1)C(=O)c1cc(-n2c(C)ccc2C)ccc1O ZINC001186841408 914817185 /nfs/dbraw/zinc/81/71/85/914817185.db2.gz QXMXJBABEKQPIS-UHFFFAOYSA-N 0 0 396.443 3.598 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(N(C)C)cc1 ZINC000773164783 904509727 /nfs/dbraw/zinc/50/97/27/904509727.db2.gz VIKQLWKEKBUBLM-KRWDZBQOSA-N 0 0 394.519 3.549 20 10 GHCDRN COc1c([O-])c(C[NH2+]Cc2ccnc(OCc3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000775051988 914818210 /nfs/dbraw/zinc/81/82/10/914818210.db2.gz RTDOPMPINVSRIW-UHFFFAOYSA-N 0 0 395.415 3.573 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccccc3COC(C)(C)C)CC2)cc1 ZINC000773182287 904535742 /nfs/dbraw/zinc/53/57/42/904535742.db2.gz ZENNZPDAAVZBQT-UHFFFAOYSA-N 0 0 382.504 3.973 20 10 GHCDRN C[C@@H](NC(=O)NC[C@H](C)N1CCc2sccc2C1)c1ccc(N(C)C)cc1 ZINC000773190382 904548191 /nfs/dbraw/zinc/54/81/91/904548191.db2.gz VPDZFHMKBAVAKS-JKSUJKDBSA-N 0 0 386.565 3.621 20 10 GHCDRN CCOC(=O)C[C@@H]1CCN(C(=O)c2cc(-n3c(C)ccc3C)ccc2O)C[C@H]1C ZINC001186849688 914821748 /nfs/dbraw/zinc/82/17/48/914821748.db2.gz OELVLVYOEWHCRG-QAPCUYQASA-N 0 0 398.503 3.851 20 10 GHCDRN C[C@H](NC(=O)NCCc1ccn(-c2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000773266205 904636169 /nfs/dbraw/zinc/63/61/69/904636169.db2.gz OHZKDZNKPJSNHU-KRWDZBQOSA-N 0 0 377.492 3.541 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCCc2nn(C)c3ccccc23)cc1F ZINC000773285900 904682774 /nfs/dbraw/zinc/68/27/74/904682774.db2.gz JNLHGDIMSUGWAT-UHFFFAOYSA-N 0 0 397.498 3.601 20 10 GHCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc([C@H](F)C(F)(F)F)cc2)cc1 ZINC000889772588 904750291 /nfs/dbraw/zinc/75/02/91/904750291.db2.gz WJCUJCXDAOJOKZ-INIZCTEOSA-N 0 0 397.372 3.580 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)Nc2n[nH]c(C)c2Br)c1 ZINC001186830748 914839511 /nfs/dbraw/zinc/83/95/11/914839511.db2.gz VJLSLFDQOVGTTA-UHFFFAOYSA-N 0 0 389.253 3.846 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)C3(Cc4ccccc4F)CC3)CC2)cc1 ZINC000187968906 904857067 /nfs/dbraw/zinc/85/70/67/904857067.db2.gz OZXNPEBFRLHSQY-UHFFFAOYSA-N 0 0 382.479 3.942 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000188158115 904881007 /nfs/dbraw/zinc/88/10/07/904881007.db2.gz GOZCOFJPPYIWAD-KRXBUXKQSA-N 0 0 377.362 3.978 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2nn(-c3c(F)cccc3F)cc2C)c1 ZINC000188449865 904924697 /nfs/dbraw/zinc/92/46/97/904924697.db2.gz WDRFAJARPUCMJQ-GFCCVEGCSA-N 0 0 387.386 3.664 20 10 GHCDRN CC(C)n1nccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 ZINC000189445494 905069374 /nfs/dbraw/zinc/06/93/74/905069374.db2.gz JQHJJJQQEAHCBM-MRXNPFEDSA-N 0 0 391.475 3.779 20 10 GHCDRN CCN(Cc1csc(NC(C)=O)n1)Cc1cc(Br)ccc1O ZINC000174423603 905268590 /nfs/dbraw/zinc/26/85/90/905268590.db2.gz DZYCWZOSWAYFFQ-UHFFFAOYSA-N 0 0 384.299 3.592 20 10 GHCDRN Cn1ncc(Br)c1/C=C1\SC(=S)N(c2ccsc2)C1=O ZINC000779220415 905437136 /nfs/dbraw/zinc/43/71/36/905437136.db2.gz BRLVFYQFNDJFMK-WMZJFQQLSA-N 0 0 386.321 3.650 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(CN2CCCC2=O)cc1 ZINC000175186104 905472431 /nfs/dbraw/zinc/47/24/31/905472431.db2.gz MVCXNOUZFMEEIQ-UHFFFAOYSA-N 0 0 393.487 3.715 20 10 GHCDRN NC(=O)C[C@@H]1CCCN(CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000175257051 905494884 /nfs/dbraw/zinc/49/48/84/905494884.db2.gz SMQCMYNJUXEOAR-UPCARPLXSA-N 0 0 379.464 3.628 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1nccn1CCc1ccccc1 ZINC000175919389 905703997 /nfs/dbraw/zinc/70/39/97/905703997.db2.gz UNNDETZUPZOWFZ-UHFFFAOYSA-N 0 0 392.503 3.953 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1cc(S(C)(=O)=O)ccc1C ZINC000801609459 921186630 /nfs/dbraw/zinc/18/66/30/921186630.db2.gz IELYWEHIYRBWNF-UHFFFAOYSA-N 0 0 390.505 3.938 20 10 GHCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)c1 ZINC000779350948 906346360 /nfs/dbraw/zinc/34/63/60/906346360.db2.gz IIFDZQPWARWCSZ-OAHLLOKOSA-N 0 0 379.460 3.547 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000190955148 906478077 /nfs/dbraw/zinc/47/80/77/906478077.db2.gz VFDFDYWZLVYOCC-LLVKDONJSA-N 0 0 384.354 3.792 20 10 GHCDRN CS[C@H](C(N)=O)c1cccc(C(=O)c2ccccc2)c1Nc1cccnc1 ZINC001173858211 906723672 /nfs/dbraw/zinc/72/36/72/906723672.db2.gz RSCXKVNOADYTFP-FQEVSTJZSA-N 0 0 377.469 3.946 20 10 GHCDRN COc1ccc(OC)c(Nc2c(CC(N)=O)cccc2C(=O)c2ccccc2)c1 ZINC001173920713 906739569 /nfs/dbraw/zinc/73/95/69/906739569.db2.gz PCICWVUOSMUSPT-UHFFFAOYSA-N 0 0 390.439 3.706 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)Nc3c4c(ccc3OC)CCC4)CC2)cc1 ZINC000191314521 906872751 /nfs/dbraw/zinc/87/27/51/906872751.db2.gz FKVPVQZWIQAMCT-UHFFFAOYSA-N 0 0 395.503 3.983 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180983286 906890355 /nfs/dbraw/zinc/89/03/55/906890355.db2.gz NQUIGPPRIBVXTC-WGPYJDKQSA-N 0 0 394.471 3.930 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC2)cc1 ZINC000191368305 906920001 /nfs/dbraw/zinc/92/00/01/906920001.db2.gz SVKSTJAXYRUUDA-UHFFFAOYSA-N 0 0 398.463 3.964 20 10 GHCDRN NC(=O)Cc1cccc(C(=O)c2ccccc2)c1Nc1cccc(-n2cccn2)c1 ZINC001174300653 906946401 /nfs/dbraw/zinc/94/64/01/906946401.db2.gz KXKGANVHFBKUSU-UHFFFAOYSA-N 0 0 396.450 3.875 20 10 GHCDRN CNS(=O)(=O)c1ccc(Nc2ccccc2C(=O)c2ccc(F)cc2)cc1 ZINC001174264590 906959668 /nfs/dbraw/zinc/95/96/68/906959668.db2.gz CPZCIZBKIVBUMI-UHFFFAOYSA-N 0 0 384.432 3.708 20 10 GHCDRN CNC(=O)c1ccc(Nc2ccc(OCCOc3ccc(N)cc3)cc2)cc1 ZINC001174514641 907084801 /nfs/dbraw/zinc/08/48/01/907084801.db2.gz DLWRBHJAQFHRSW-UHFFFAOYSA-N 0 0 377.444 3.830 20 10 GHCDRN CC(C)(C)OC(=O)NCc1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000779517081 907358072 /nfs/dbraw/zinc/35/80/72/907358072.db2.gz LZNNVTIFHILFTN-CSKARUKUSA-N 0 0 384.432 3.774 20 10 GHCDRN COc1ccc(Oc2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)cn2)cc1 ZINC000779525177 907362941 /nfs/dbraw/zinc/36/29/41/907362941.db2.gz NOAQVONQBSBAMN-XCVCLJGOSA-N 0 0 378.384 3.946 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CC2(C1)CCCC2 ZINC000779528262 907366602 /nfs/dbraw/zinc/36/66/02/907366602.db2.gz CMBDOWUYZYGFGE-UHFFFAOYSA-N 0 0 397.441 3.628 20 10 GHCDRN CN(CCN(C)c1ccc(Nc2cnc3n[nH]cc3c2)cc1)c1ccc(N)cc1 ZINC001175409303 907537836 /nfs/dbraw/zinc/53/78/36/907537836.db2.gz FXTJWEJHYLQDCJ-UHFFFAOYSA-N 0 0 387.491 3.856 20 10 GHCDRN O=C1/C(=C\c2ccc(F)nc2)SC(=S)N1c1ccc2c(c1)OC(F)(F)O2 ZINC000777403420 907557773 /nfs/dbraw/zinc/55/77/73/907557773.db2.gz DDCRHFDGNZHQMU-LFYBBSHMSA-N 0 0 396.371 3.948 20 10 GHCDRN COc1cc(Cl)cc(CN(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000184677469 907635973 /nfs/dbraw/zinc/63/59/73/907635973.db2.gz SCZNZFHFJJGXRG-GFCCVEGCSA-N 0 0 383.897 3.651 20 10 GHCDRN COc1cc(OC)cc([C@@H](N[C@@H](C)c2ccc(F)cc2O)c2nccn2C)c1 ZINC000184960301 907685834 /nfs/dbraw/zinc/68/58/34/907685834.db2.gz JJWDXNLZGPIECM-RNODOKPDSA-N 0 0 385.439 3.722 20 10 GHCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1ccc(OC2CCOCC2)nc1 ZINC001175727708 907707635 /nfs/dbraw/zinc/70/76/35/907707635.db2.gz XJFPGFRAKUOHAA-OPMSBBQGSA-N 0 0 390.447 3.907 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000779577007 907728515 /nfs/dbraw/zinc/72/85/15/907728515.db2.gz VQASSTCAORUOFQ-HXUWFJFHSA-N 0 0 389.446 3.622 20 10 GHCDRN COc1cc2c(cc1OC)[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)CCCC2 ZINC001176073180 907901878 /nfs/dbraw/zinc/90/18/78/907901878.db2.gz IYWOTXJGSGKAOQ-PXAMLJHWSA-N 0 0 383.444 3.712 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc(C(C)C)nn1-c1ncccn1 ZINC000186476848 907930749 /nfs/dbraw/zinc/93/07/49/907930749.db2.gz VPHAVUPFANJBHX-UHFFFAOYSA-N 0 0 394.479 3.935 20 10 GHCDRN C[C@@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)N1CCc2sccc2C1 ZINC000192975729 908040053 /nfs/dbraw/zinc/04/00/53/908040053.db2.gz GRNMAOQYHJVONS-KRWDZBQOSA-N 0 0 398.576 3.594 20 10 GHCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3c(Cl)cccc3Cl)c2)CC1 ZINC000187117534 908040420 /nfs/dbraw/zinc/04/04/20/908040420.db2.gz JJRSPAMAWWFWSU-UHFFFAOYSA-N 0 0 392.286 3.914 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCSc2ccccc21 ZINC000193127261 908092953 /nfs/dbraw/zinc/09/29/53/908092953.db2.gz GCPTUBQNVMQHGI-FQEVSTJZSA-N 0 0 397.544 3.902 20 10 GHCDRN COC(=O)c1cccc(NNC(=S)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000779728426 908352620 /nfs/dbraw/zinc/35/26/20/908352620.db2.gz UFZRJTYHFXFDTI-UHFFFAOYSA-N 0 0 385.367 3.685 20 10 GHCDRN C[C@@H](NC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1)c1ccc(N(C)C)cc1 ZINC000773614885 908415513 /nfs/dbraw/zinc/41/55/13/908415513.db2.gz UHJQHCXUOHGHQN-GDBMZVCRSA-N 0 0 388.462 3.670 20 10 GHCDRN C[C@H](NC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1)c1ccc(N(C)C)cc1 ZINC000773614887 908415795 /nfs/dbraw/zinc/41/57/95/908415795.db2.gz UHJQHCXUOHGHQN-GOEBONIOSA-N 0 0 388.462 3.670 20 10 GHCDRN C[C@H](NC(=O)N1CCC(OC[C@H]2CCCCO2)CC1)c1ccc(N(C)C)cc1 ZINC000773614940 908417793 /nfs/dbraw/zinc/41/77/93/908417793.db2.gz VAJZGJROGXKCSP-LAUBAEHRSA-N 0 0 389.540 3.573 20 10 GHCDRN COc1ccc(-c2nc(CC(=O)N3CCc4cccc(O)c4C3)cs2)cc1 ZINC001177145635 908425027 /nfs/dbraw/zinc/42/50/27/908425027.db2.gz PPUJMBSDZSIVFA-UHFFFAOYSA-N 0 0 380.469 3.652 20 10 GHCDRN C[C@H](NC(=O)N[C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000773618429 908442142 /nfs/dbraw/zinc/44/21/42/908442142.db2.gz QCTCUSNKRFURPW-YCRPNKLZSA-N 0 0 395.482 3.775 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(Cc2cccnc2)CCOCC1 ZINC001177201122 908446420 /nfs/dbraw/zinc/44/64/20/908446420.db2.gz UURPMMBGCRJAAW-UHFFFAOYSA-N 0 0 381.520 3.536 20 10 GHCDRN C[C@H](NC(=O)N[C@@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc(N(C)C)cc1 ZINC000773629738 908486495 /nfs/dbraw/zinc/48/64/95/908486495.db2.gz SISMJOWNDZGXAS-UGSOOPFHSA-N 0 0 395.425 3.865 20 10 GHCDRN C[C@H](NC(=O)NC[C@](C)(O)c1ccccc1Cl)c1ccc(N(C)C)cc1 ZINC000773629781 908486805 /nfs/dbraw/zinc/48/68/05/908486805.db2.gz SLZBWBBMPZOCGM-XOBRGWDASA-N 0 0 375.900 3.674 20 10 GHCDRN C[C@@H](NC(=O)NC[C@](C)(O)c1ccccc1Cl)c1ccc(N(C)C)cc1 ZINC000773629778 908486877 /nfs/dbraw/zinc/48/68/77/908486877.db2.gz SLZBWBBMPZOCGM-VLIAUNLRSA-N 0 0 375.900 3.674 20 10 GHCDRN CCCn1ccnc1CCCN(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000192318887 908761101 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CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccn1Cc1cccs1 ZINC000194524928 908890998 /nfs/dbraw/zinc/89/09/98/908890998.db2.gz RYKKTYMTOYIVMG-UHFFFAOYSA-N 0 0 395.528 3.707 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000194548011 908891576 /nfs/dbraw/zinc/89/15/76/908891576.db2.gz ZMWTZDKBIPIPNS-KRWDZBQOSA-N 0 0 385.533 3.534 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000194655935 908908721 /nfs/dbraw/zinc/90/87/21/908908721.db2.gz XGDQLMOKHKDRFO-UHFFFAOYSA-N 0 0 377.473 3.666 20 10 GHCDRN C[C@H](N[C@@H](C)c1ccccn1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000194712603 908915884 /nfs/dbraw/zinc/91/58/84/908915884.db2.gz UXDHTEHGWLILFG-GJZGRUSLSA-N 0 0 399.450 3.535 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCC1(SC)CCC1 ZINC000195107492 908968154 /nfs/dbraw/zinc/96/81/54/908968154.db2.gz AZBCPOLYIBJNOC-UHFFFAOYSA-N 0 0 387.343 3.972 20 10 GHCDRN O=[N+]([O-])c1cnc(Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)s1 ZINC000195505365 909015377 /nfs/dbraw/zinc/01/53/77/909015377.db2.gz 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GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](CC)c1nnc2n1CCCCC2 ZINC000267378473 909473273 /nfs/dbraw/zinc/47/32/73/909473273.db2.gz LBZVMVBGLJVRTR-KRWDZBQOSA-N 0 0 385.512 3.783 20 10 GHCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC001179426237 909534053 /nfs/dbraw/zinc/53/40/53/909534053.db2.gz VHSPCEMTVFIDOK-VXNVDRBHSA-N 0 0 389.009 3.958 20 10 GHCDRN COc1ccc(CNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)c(O)c1 ZINC000795288465 909714526 /nfs/dbraw/zinc/71/45/26/909714526.db2.gz BYYRAMRLDOXZIE-UHFFFAOYSA-N 0 0 376.338 3.884 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](c2cnn(C)c2)C(C)C)c1 ZINC001179762344 909719956 /nfs/dbraw/zinc/71/99/56/909719956.db2.gz LHZIMWYSVVBGKB-OAQYLSRUSA-N 0 0 378.476 3.767 20 10 GHCDRN C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C[C@H](C)O1 ZINC000245601199 909762457 /nfs/dbraw/zinc/76/24/57/909762457.db2.gz MJRNOKBKVWIYRX-QKPAOTATSA-N 0 0 397.466 3.512 20 10 GHCDRN COc1cccc(C[N@H+](Cc2cc(F)cc(F)c2[O-])C2CCC(O)CC2)c1 ZINC001179874471 909795910 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Cc1oc(C2CC2)nc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000795360993 910044971 /nfs/dbraw/zinc/04/49/71/910044971.db2.gz SLAUXVHDKCYZGS-CHWSQXEVSA-N 0 0 387.455 3.543 20 10 GHCDRN COc1cc(Cl)c(C)cc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773845986 910054707 /nfs/dbraw/zinc/05/47/07/910054707.db2.gz LPRRUXGPJCWPFZ-CYBMUJFWSA-N 0 0 389.883 3.539 20 10 GHCDRN C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c2cccnc12)c1ccc(N(C)C)cc1 ZINC000773848202 910059323 /nfs/dbraw/zinc/05/93/23/910059323.db2.gz UYFSXPLKJPZMCA-ZDUSSCGKSA-N 0 0 396.878 3.770 20 10 GHCDRN CSc1c(F)cc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000773849255 910068232 /nfs/dbraw/zinc/06/82/32/910068232.db2.gz YGIDFKUQZCAIIM-LLVKDONJSA-N 0 0 393.459 3.569 20 10 GHCDRN COC(=O)c1c(CNc2cccc(N3CCOC3=O)c2)c2cc(F)ccc2n1C ZINC001180284236 910072325 /nfs/dbraw/zinc/07/23/25/910072325.db2.gz DXLIRXBXBPSTOH-UHFFFAOYSA-N 0 0 397.406 3.673 20 10 GHCDRN CCCOc1cc(C)ccc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773859540 910158933 /nfs/dbraw/zinc/15/89/33/910158933.db2.gz VJHWQGZEWHQGIZ-MRXNPFEDSA-N 0 0 383.492 3.666 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000269313964 910212387 /nfs/dbraw/zinc/21/23/87/910212387.db2.gz KAVAICRZXPCDGI-OAHLLOKOSA-N 0 0 397.313 3.788 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000269313962 910212843 /nfs/dbraw/zinc/21/28/43/910212843.db2.gz KAVAICRZXPCDGI-HNNXBMFYSA-N 0 0 397.313 3.788 20 10 GHCDRN CC(C)(C)[C@@H]1C[C@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCO1 ZINC000270722035 910675358 /nfs/dbraw/zinc/67/53/58/910675358.db2.gz DMRAJRJUYLUIMD-HBFSDRIKSA-N 0 0 390.524 3.677 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@]34CCc3ccccc34)CC2)cc1 ZINC000246837244 910692380 /nfs/dbraw/zinc/69/23/80/910692380.db2.gz YTYGGCQDTJWUDJ-UPVQGACJSA-N 0 0 376.500 3.638 20 10 GHCDRN O=C(c1cccc([C@H]2CCOC2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000270791140 910702710 /nfs/dbraw/zinc/70/27/10/910702710.db2.gz DUYLSKUQEICUAM-SFTDATJTSA-N 0 0 381.472 3.718 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H](CCCc1ccccc1)C(=O)NCc1ccccc1O ZINC001181329695 910718651 /nfs/dbraw/zinc/71/86/51/910718651.db2.gz CUJOOSTUBQOQEE-IBGZPJMESA-N 0 0 398.503 3.925 20 10 GHCDRN O=C(Cc1csc2ccc(Cl)cc12)NCC(=O)c1ccc(O)c(O)c1 ZINC001181425231 910750363 /nfs/dbraw/zinc/75/03/63/910750363.db2.gz BTADUFSCSASUBY-UHFFFAOYSA-N 0 0 375.833 3.508 20 10 GHCDRN Cc1cc(C)c(CNC(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)c(O)c1 ZINC001181626790 910888939 /nfs/dbraw/zinc/88/89/39/910888939.db2.gz JHKNLXGMXRWBFQ-DOTOQJQBSA-N 0 0 394.487 3.610 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1nn(C)c(C)c1Cl ZINC000817548346 911014190 /nfs/dbraw/zinc/01/41/90/911014190.db2.gz ZFBKGDRSIABDPB-UHFFFAOYSA-N 0 0 386.677 3.512 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@H]1CN(C)c2ccccc2O1 ZINC001181973806 911131232 /nfs/dbraw/zinc/13/12/32/911131232.db2.gz WTOKYWVZJHSUNN-WIYYLYMNSA-N 0 0 380.488 3.646 20 10 GHCDRN O=C(CCc1ccc(O)c(O)c1)Nc1ccc2nc(-c3ccccc3F)nn2c1 ZINC001182154714 911213833 /nfs/dbraw/zinc/21/38/33/911213833.db2.gz NNOCWLHOLDKRNV-UHFFFAOYSA-N 0 0 392.390 3.518 20 10 GHCDRN COc1ccc(C)cc1-n1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000773990581 911239184 /nfs/dbraw/zinc/23/91/84/911239184.db2.gz VTZBPJQOLMQDDF-MRXNPFEDSA-N 0 0 378.476 3.746 20 10 GHCDRN Cc1c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nnn1-c1cccc(Cl)c1 ZINC000773992815 911240676 /nfs/dbraw/zinc/24/06/76/911240676.db2.gz FSJNGYYVAIHBGH-ZDUSSCGKSA-N 0 0 383.883 3.786 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NC[C@H]1CCCC(F)(F)C1 ZINC000283331882 911465249 /nfs/dbraw/zinc/46/52/49/911465249.db2.gz ALPDGWNFPUJGQQ-SFHVURJKSA-N 0 0 395.494 3.520 20 10 GHCDRN C[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774141980 911472921 /nfs/dbraw/zinc/47/29/21/911472921.db2.gz WSPFCCONVBBUCI-LBPRGKRZSA-N 0 0 388.316 3.965 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1)c1cc(F)cc(F)c1[O-] ZINC000774395747 911707660 /nfs/dbraw/zinc/70/76/60/911707660.db2.gz KCCHJRPPMCARLP-KOLCDFICSA-N 0 0 375.337 3.590 20 10 GHCDRN C[C@H](N[C@H](C(N)=O)c1ccc(Br)cc1F)c1ccc(N(C)C)cc1 ZINC000774479792 911785481 /nfs/dbraw/zinc/78/54/81/911785481.db2.gz UMIRTVARKQOPSM-GTNSWQLSSA-N 0 0 394.288 3.531 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccc(F)cc1[O-] ZINC000774506763 911831465 /nfs/dbraw/zinc/83/14/65/911831465.db2.gz CCPKLQWWUGULQX-BZNIZROVSA-N 0 0 393.256 3.750 20 10 GHCDRN Cc1cc(C(=O)NC[C@@H](O)C2CCC2)c(C)n1-c1ccc(Br)cc1 ZINC001299388255 911919624 /nfs/dbraw/zinc/91/96/24/911919624.db2.gz RTOHXSVBIXWEFQ-GOSISDBHSA-N 0 0 391.309 3.747 20 10 GHCDRN COc1c([O-])c(C[NH2+]C[C@@H](O)c2ccc(-c3ccccc3)cc2)ccc1[N+](=O)[O-] ZINC000775069792 914950093 /nfs/dbraw/zinc/95/00/93/914950093.db2.gz UCRUVIVYBBSSGQ-HXUWFJFHSA-N 0 0 394.427 3.799 20 10 GHCDRN NC(=O)[C@@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)c1ccc(F)cc1 ZINC000796356640 914992596 /nfs/dbraw/zinc/99/25/96/914992596.db2.gz OEVJAKPCNPCFOM-QHCPKHFHSA-N 0 0 389.474 3.705 20 10 GHCDRN COC(=O)/C=C/c1ccc(N2Cc3ccccc3N3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001187430641 915285718 /nfs/dbraw/zinc/28/57/18/915285718.db2.gz MRBVESAHZLSDFL-CKDFRHGISA-N 0 0 393.443 3.770 20 10 GHCDRN Cc1ccc(NC(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)cc1Cl ZINC000096970957 915313604 /nfs/dbraw/zinc/31/36/04/915313604.db2.gz SDQRJNKWTBMHNF-SFHVURJKSA-N 0 0 388.895 3.974 20 10 GHCDRN O=C(CN(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2)N1CCCC1 ZINC000096981965 915319252 /nfs/dbraw/zinc/31/92/52/915319252.db2.gz AZDYZFNZBYDWQU-RMKNXTFCSA-N 0 0 378.472 3.600 20 10 GHCDRN COc1cc([N+](=O)[O-])c(N2CCC(c3noc(C(C)C)n3)CC2)cc1OC ZINC000291796910 915368195 /nfs/dbraw/zinc/36/81/95/915368195.db2.gz DMWJQQJLBJOXBV-UHFFFAOYSA-N 0 0 376.413 3.502 20 10 GHCDRN O=C(c1ccnc(OC2CCC2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000155697011 915461932 /nfs/dbraw/zinc/46/19/32/915461932.db2.gz OOCWBRNPPOUDSK-LJQANCHMSA-N 0 0 382.460 3.540 20 10 GHCDRN CC(=O)c1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)n(C)c1 ZINC000008413994 921779156 /nfs/dbraw/zinc/77/91/56/921779156.db2.gz SRFLXMNUBLHMRS-UHFFFAOYSA-N 0 0 378.428 3.675 20 10 GHCDRN CCc1noc(C2CCC([NH2+]Cc3cccc(Br)c3[O-])CC2)n1 ZINC000775146186 915557420 /nfs/dbraw/zinc/55/74/20/915557420.db2.gz MAHMTKSYPRRWFU-UHFFFAOYSA-N 0 0 380.286 3.916 20 10 GHCDRN O=S(=O)(Nc1ccc(O)cc1Br)c1ccc(Cl)nc1Cl ZINC001187968493 915694348 /nfs/dbraw/zinc/69/43/48/915694348.db2.gz DCCSDLBAWHSTLM-UHFFFAOYSA-N 0 0 398.065 3.657 20 10 GHCDRN COc1cc2c(cc1F)CC[C@@H]2NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000802060776 921795234 /nfs/dbraw/zinc/79/52/34/921795234.db2.gz FVYKKKBFZZLRQJ-IBGZPJMESA-N 0 0 383.467 3.703 20 10 GHCDRN Cc1ncc(C(=O)Nc2ccc(N(C)CCN(C)c3ccc(N)cc3)cc2)s1 ZINC001188416656 915930463 /nfs/dbraw/zinc/93/04/63/915930463.db2.gz FZNSPLRGRMBESI-UHFFFAOYSA-N 0 0 395.532 3.859 20 10 GHCDRN O=C(c1cccc(-c2ccc(Cl)nn2)c1)N1CCCc2cc(O)c(O)cc2C1 ZINC001188486541 915969048 /nfs/dbraw/zinc/96/90/48/915969048.db2.gz BTYILEOXSQLSFH-UHFFFAOYSA-N 0 0 395.846 3.797 20 10 GHCDRN CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000775214652 916367904 /nfs/dbraw/zinc/36/79/04/916367904.db2.gz QJFAGXUANFTKAE-DNVCBOLYSA-N 0 0 380.448 3.972 20 10 GHCDRN O=S(=O)(CCc1ccc(Cl)cc1)Nc1ccc(O)c(Br)c1 ZINC001189104405 916404950 /nfs/dbraw/zinc/40/49/50/916404950.db2.gz UKZHVXOQHWCBFA-UHFFFAOYSA-N 0 0 390.686 3.793 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189294821 916515468 /nfs/dbraw/zinc/51/54/68/916515468.db2.gz XAEBLDYAAKDVFK-UHFFFAOYSA-N 0 0 380.460 3.527 20 10 GHCDRN Cc1cc(C(=O)NOC2CCOCC2)c(C)n1-c1cccc(Br)c1 ZINC000775241282 916577055 /nfs/dbraw/zinc/57/70/55/916577055.db2.gz NGDWIXPIBAEMTR-UHFFFAOYSA-N 0 0 393.281 3.697 20 10 GHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000294321082 916734984 /nfs/dbraw/zinc/73/49/84/916734984.db2.gz QZBBZOAKFOOLTB-UHFFFAOYSA-N 0 0 382.838 3.575 20 10 GHCDRN COc1ccc(Cl)c(S(=O)(=O)NCc2cc3ccccc3cc2O)c1 ZINC001189635257 916762765 /nfs/dbraw/zinc/76/27/65/916762765.db2.gz PHPAPXHPKQETDO-UHFFFAOYSA-N 0 0 377.849 3.686 20 10 GHCDRN CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)O1 ZINC000775278868 916767173 /nfs/dbraw/zinc/76/71/73/916767173.db2.gz NIDVDOZHACKQRD-RBUKOAKNSA-N 0 0 395.463 3.859 20 10 GHCDRN CCN(CC)c1ccc(N=Nc2ccccc2C(=O)NC[C@@H]2CNC(=O)O2)cc1 ZINC001189711673 916855775 /nfs/dbraw/zinc/85/57/75/916855775.db2.gz BDEKMXHESXQABP-OIUDPUMTSA-N 0 0 395.463 3.786 20 10 GHCDRN CCN(CC)c1ccc(/N=N/c2ccccc2C(=O)n2cc(N)c(N)n2)cc1 ZINC001189714678 916858082 /nfs/dbraw/zinc/85/80/82/916858082.db2.gz XKLVQCDSINJEHT-WCWDXBQESA-N 0 0 377.452 3.998 20 10 GHCDRN CC1(C)C[C@H](SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CO1 ZINC001189816825 916940885 /nfs/dbraw/zinc/94/08/85/916940885.db2.gz PSDYAPVHEFAVBZ-AWEZNQCLSA-N 0 0 395.480 3.701 20 10 GHCDRN CCCn1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccc(N)cc3)cc2)n1 ZINC001189834084 916956876 /nfs/dbraw/zinc/95/68/76/916956876.db2.gz MATQVFZHEVDHEF-UHFFFAOYSA-N 0 0 378.436 3.772 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000362333873 917214003 /nfs/dbraw/zinc/21/40/03/917214003.db2.gz FEPREAZMJSYKRW-IRLDBZIGSA-N 0 0 377.488 3.640 20 10 GHCDRN COc1ccc(O)c([C@H](C)NCc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)c1 ZINC000775370477 917215668 /nfs/dbraw/zinc/21/56/68/917215668.db2.gz NLNDGUWEYHNLRV-JTQLQIEISA-N 0 0 393.365 3.919 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(-c2ccccc2)[nH]c1=O ZINC001190270783 917222524 /nfs/dbraw/zinc/22/25/24/917222524.db2.gz QAJXYOZNLPIYHC-UHFFFAOYSA-N 0 0 376.460 3.578 20 10 GHCDRN COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCCN(c2ccc(OC)cc2)CC1 ZINC001190446466 917348415 /nfs/dbraw/zinc/34/84/15/917348415.db2.gz NJAKDICHOUVVEB-HXUWFJFHSA-N 0 0 388.895 3.775 20 10 GHCDRN C[C@H](NC(=O)CSc1nc(-c2ccccc2)no1)c1ccc(N(C)C)cc1 ZINC000775404199 917483597 /nfs/dbraw/zinc/48/35/97/917483597.db2.gz LXEJMUNWPUKBSJ-AWEZNQCLSA-N 0 0 382.489 3.772 20 10 GHCDRN Cc1sc2nc(CCC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)[nH]c(=O)c2c1C ZINC000775407728 917530212 /nfs/dbraw/zinc/53/02/12/917530212.db2.gz UMTPGZPHFMOORX-ZDUSSCGKSA-N 0 0 398.532 3.890 20 10 GHCDRN Cc1cc(C(=O)N2C[C@@H](C)O[C@]3(CCCOC3)C2)c(C)n1-c1cccc(C)c1 ZINC000796503637 917886424 /nfs/dbraw/zinc/88/64/24/917886424.db2.gz FBMVIKWFXSLVKG-WZONZLPQSA-N 0 0 382.504 3.813 20 10 GHCDRN C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1CC[C@@H](C)[C@H]1C ZINC001191486724 918017473 /nfs/dbraw/zinc/01/74/73/918017473.db2.gz SYVVAHYIGUMOJA-RBSFLKMASA-N 0 0 376.456 3.519 20 10 GHCDRN CCCOc1ccc(S(=O)(=O)NCc2ccc(O)cc2O)cc1C(C)(C)C ZINC001191529961 918046632 /nfs/dbraw/zinc/04/66/32/918046632.db2.gz GLRYHEHVJXGVHH-UHFFFAOYSA-N 0 0 393.505 3.663 20 10 GHCDRN Cc1cc(C(=O)CN2CCC(F)(F)CC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000796542971 918127103 /nfs/dbraw/zinc/12/71/03/918127103.db2.gz NPLWUFWTTPOQDB-UHFFFAOYSA-N 0 0 390.430 3.779 20 10 GHCDRN COc1ccc(C(C)C)cc1S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001191689707 918156367 /nfs/dbraw/zinc/15/63/67/918156367.db2.gz YBSPRCVAZOKJKD-UHFFFAOYSA-N 0 0 376.522 3.705 20 10 GHCDRN CC(C)c1cccc(OCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000145672906 919390461 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CC(C)(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1nccs1 ZINC000900509226 920360374 /nfs/dbraw/zinc/36/03/74/920360374.db2.gz QRFWEFKKOKDMAL-UHFFFAOYSA-N 0 0 395.475 3.807 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)NCC3(CO)CCC3)cc2Cl)C1 ZINC000800719563 920391784 /nfs/dbraw/zinc/39/17/84/920391784.db2.gz LCRJZPBJMNPBJQ-OAHLLOKOSA-N 0 0 379.932 3.538 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)NCC3(CCO)CCC3)cc2Cl)C1 ZINC000800721358 920394892 /nfs/dbraw/zinc/39/48/92/920394892.db2.gz ZHTWOWLGBHJHMI-INIZCTEOSA-N 0 0 393.959 3.928 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H]3CCO)cc2Cl)C1 ZINC000800720792 920395508 /nfs/dbraw/zinc/39/55/08/920395508.db2.gz VYHAHVIKQPLROQ-DOTOQJQBSA-N 0 0 379.932 3.633 20 10 GHCDRN O=C(NCCc1cccc2[nH]ccc21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000800744235 920412943 /nfs/dbraw/zinc/41/29/43/920412943.db2.gz AZXXSCXQCNFGLJ-IBGZPJMESA-N 0 0 393.487 3.807 20 10 GHCDRN CO[C@@H]1CN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C)CC[C@H]1C ZINC000800763541 920432800 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COc1ccc(N2CCN(c3nnc(C4CCC4)n3CC(C)C)CC2)cc1F ZINC000802667280 922324444 /nfs/dbraw/zinc/32/44/44/922324444.db2.gz XTRGTQRTTQSTJL-UHFFFAOYSA-N 0 0 387.503 3.676 20 10 GHCDRN COc1cccc(CNC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)c1O ZINC000802782793 922401074 /nfs/dbraw/zinc/40/10/74/922401074.db2.gz SRDKLDNHEBIHSM-UHFFFAOYSA-N 0 0 391.349 3.535 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000802784641 922402029 /nfs/dbraw/zinc/40/20/29/922402029.db2.gz PMZDWUFWSGTDLR-SFHVURJKSA-N 0 0 379.378 3.640 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)CC(C)(C)c1ccccc1 ZINC000803574078 923094722 /nfs/dbraw/zinc/09/47/22/923094722.db2.gz RVLSOGOWUURHIS-SFHVURJKSA-N 0 0 395.547 3.550 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000803655691 923126295 /nfs/dbraw/zinc/12/62/95/923126295.db2.gz WZMPVGKDBMUNKX-OWIVYFSNSA-N 0 0 389.249 3.536 20 10 GHCDRN COc1ccc(OC)c(N2C(=O)/C(=C\c3ccc(OC)nc3)SC2=S)c1 ZINC000780144538 923470143 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[O-]c1c(Br)cccc1C[NH2+]Cc1ccnn1CCc1ccccc1 ZINC000756140563 1023534565 /nfs/dbraw/zinc/53/45/65/1023534565.db2.gz OTVTYIUTIQRMPW-UHFFFAOYSA-N 0 0 386.293 3.884 20 10 GHCDRN C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1cc(Br)cc(F)c1[O-] ZINC000756350771 1023601444 /nfs/dbraw/zinc/60/14/44/1023601444.db2.gz FTKVVEBBSNHHEE-CMPLNLGQSA-N 0 0 382.229 3.784 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](c2ccc(OC)cc2)N2CCCC2)c1 ZINC000756358148 1023604159 /nfs/dbraw/zinc/60/41/59/1023604159.db2.gz SHURXPMCUNKGNB-IERDGZPVSA-N 0 0 398.503 3.675 20 10 GHCDRN C[C@@H]([NH2+]Cc1nncn1-c1ccccc1)c1cc(Br)c(F)cc1[O-] ZINC000756404293 1023630911 /nfs/dbraw/zinc/63/09/11/1023630911.db2.gz UNOROPNBWIDABL-LLVKDONJSA-N 0 0 391.244 3.725 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCc2cn(-c3ccccc3)nc2C)c1 ZINC000756477025 1023675499 /nfs/dbraw/zinc/67/54/99/1023675499.db2.gz WDKRHWCKJKZNPK-QGZVFWFLSA-N 0 0 393.487 3.956 20 10 GHCDRN C[C@H]([NH2+][C@@H](C)[C@H](C)N1CCOCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756544752 1023707907 /nfs/dbraw/zinc/70/79/07/1023707907.db2.gz VOHHXCPXTNKJBF-SRVKXCTJSA-N 0 0 391.737 3.568 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(COC3CCOCC3)c2)c1 ZINC000756568162 1023715538 /nfs/dbraw/zinc/71/55/38/1023715538.db2.gz CVSRPOCHEQMKNS-INIZCTEOSA-N 0 0 399.487 3.725 20 10 GHCDRN C[C@H]([NH2+]CCN(C)CC(F)(F)F)c1cc(Br)cc(Cl)c1[O-] ZINC000756568475 1023715751 /nfs/dbraw/zinc/71/57/51/1023715751.db2.gz GBOMAKAAKLUMBK-QMMMGPOBSA-N 0 0 389.643 3.953 20 10 GHCDRN C[C@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756638936 1023749031 /nfs/dbraw/zinc/74/90/31/1023749031.db2.gz UITFQQUMZNLVML-BONVTDFDSA-N 0 0 393.778 3.896 20 10 GHCDRN C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756762433 1023804334 /nfs/dbraw/zinc/80/43/34/1023804334.db2.gz ZYWARXGTVIMCBK-CHWSQXEVSA-N 0 0 398.381 3.821 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1cc(Br)c(F)cc1[O-] ZINC000756763681 1023805493 /nfs/dbraw/zinc/80/54/93/1023805493.db2.gz XMQRVCNZCZVRHN-ZBEGNZNMSA-N 0 0 399.304 3.878 20 10 GHCDRN C[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)c1cc(Br)cc(F)c1[O-] ZINC000756769002 1023807777 /nfs/dbraw/zinc/80/77/77/1023807777.db2.gz HEEPZRHCSVLWSL-SNVBAGLBSA-N 0 0 380.261 3.855 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756779167 1023812270 /nfs/dbraw/zinc/81/22/70/1023812270.db2.gz QOXOWZVZWUYOQF-XXFAHNHDSA-N 0 0 384.785 3.919 20 10 GHCDRN C[C@@H]1C[C@H](Nc2ccc(CC(=O)N3CCOCC3)cc2)c2c1c(F)ccc2O ZINC000756801644 1023820181 /nfs/dbraw/zinc/82/01/81/1023820181.db2.gz BMRVBFIISOJDMF-KDOFPFPSSA-N 0 0 384.451 3.593 20 10 GHCDRN CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756859125 1023837744 /nfs/dbraw/zinc/83/77/44/1023837744.db2.gz YQBLYODYEUXGOH-SECBINFHSA-N 0 0 377.710 3.621 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756943873 1023878610 /nfs/dbraw/zinc/87/86/10/1023878610.db2.gz FDWWKNCIUQMWJY-UHFFFAOYSA-N 0 0 386.839 3.624 20 10 GHCDRN COc1cccc(CNC(=O)C(C)(C)Oc2ccc(Br)cc2)c1O ZINC000830540248 1023975619 /nfs/dbraw/zinc/97/56/19/1023975619.db2.gz HXCPOUQBPCRHQV-UHFFFAOYSA-N 0 0 394.265 3.637 20 10 GHCDRN O=S(=O)(c1cccc2ccoc21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000830599223 1024009015 /nfs/dbraw/zinc/00/90/15/1024009015.db2.gz KHNVBGAMWHYZHQ-KRWDZBQOSA-N 0 0 387.457 3.508 20 10 GHCDRN CC1([C@H]2CCC[N@H+](Cc3cc(Cl)cc(Br)c3[O-])C2)OCCO1 ZINC001204937157 1033175570 /nfs/dbraw/zinc/17/55/70/1033175570.db2.gz HIJIFSPOYDLVDB-LBPRGKRZSA-N 0 0 390.705 3.783 20 10 GHCDRN Cc1cc(C(=O)N(C)C2CCN(CC(F)(F)F)CC2)c(C)n1-c1ccccn1 ZINC000837148333 1024148444 /nfs/dbraw/zinc/14/84/44/1024148444.db2.gz PJKAZMIOFJURBE-UHFFFAOYSA-N 0 0 394.441 3.588 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCO[C@H](c2nccn2C)C1 ZINC000837177326 1024191957 /nfs/dbraw/zinc/19/19/57/1024191957.db2.gz KYTOHOQINIOBQN-RDJZCZTQSA-N 0 0 384.505 3.539 20 10 GHCDRN C/C(=C/c1ccc(Br)o1)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001138152163 1024248122 /nfs/dbraw/zinc/24/81/22/1024248122.db2.gz BOBCQFQVYVFMAH-BRNRAETOSA-N 0 0 380.238 3.604 20 10 GHCDRN CCC1CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1 ZINC000837263717 1024299521 /nfs/dbraw/zinc/29/95/21/1024299521.db2.gz JODAEUYLJCBYON-NTEUORMPSA-N 0 0 380.560 3.598 20 10 GHCDRN CON1CCC(N(C)C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 ZINC000837268961 1024304646 /nfs/dbraw/zinc/30/46/46/1024304646.db2.gz KDDZTEQSQPSRDV-UHFFFAOYSA-N 0 0 375.900 3.845 20 10 GHCDRN Cn1ccnc1[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1cccc(F)c1 ZINC001141270639 1024351995 /nfs/dbraw/zinc/35/19/95/1024351995.db2.gz CUXSJRHSYCWVFR-GOSISDBHSA-N 0 0 397.431 3.705 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1cc(Br)co1 ZINC000837348620 1024368642 /nfs/dbraw/zinc/36/86/42/1024368642.db2.gz HTDSRNWZGNUMKZ-UHFFFAOYSA-N 0 0 381.295 3.525 20 10 GHCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1 ZINC000837408809 1024433098 /nfs/dbraw/zinc/43/30/98/1024433098.db2.gz SRPFVLSSZJJUNE-MTNREXPMSA-N 0 0 392.499 3.910 20 10 GHCDRN Cc1c(CN2Cc3nn(C)cc3[C@@H](COCC3CC3)C2)c2ccccc2n1C ZINC001138253867 1024476033 /nfs/dbraw/zinc/47/60/33/1024476033.db2.gz JNPYAKSEWVLSOM-GOSISDBHSA-N 0 0 378.520 3.746 20 10 GHCDRN CCN1CC[C@@H](NC(=O)Cc2ccc(N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000831509266 1024608845 /nfs/dbraw/zinc/60/88/45/1024608845.db2.gz COIASNNZHABIFK-UYAOXDASSA-N 0 0 375.875 3.556 20 10 GHCDRN COC(=O)[C@H]1[C@@H]2CN(C(=O)c3cc(C)n(-c4cccc(C(C)C)c4)c3C)C[C@@H]21 ZINC001141347567 1024650435 /nfs/dbraw/zinc/65/04/35/1024650435.db2.gz CVHRKPWIVQGEEN-AERCQKQUSA-N 0 0 380.488 3.709 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@H]1CCCc2sccc21 ZINC000837708440 1024650883 /nfs/dbraw/zinc/65/08/83/1024650883.db2.gz VAHHAKIOWMVVTI-HNNXBMFYSA-N 0 0 392.471 3.599 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H](c1ccccc1)C1CC1 ZINC000837709459 1024652068 /nfs/dbraw/zinc/65/20/68/1024652068.db2.gz WIYRXFYLKXVUHD-FQEVSTJZSA-N 0 0 386.442 3.611 20 10 GHCDRN Cc1ccccc1[C@H](C)CC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837709105 1024652927 /nfs/dbraw/zinc/65/29/27/1024652927.db2.gz HXNAXWBYVLFXIV-MRXNPFEDSA-N 0 0 388.458 3.920 20 10 GHCDRN Cc1ccc(C[C@H](C)C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000837709266 1024653278 /nfs/dbraw/zinc/65/32/78/1024653278.db2.gz PXIQHIUBURIPOP-INIZCTEOSA-N 0 0 388.458 3.605 20 10 GHCDRN CO[C@@H]1CCC[C@H](C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)C1 ZINC000837746209 1024676675 /nfs/dbraw/zinc/67/66/75/1024676675.db2.gz IUGNOTVABZSXNX-DOTOQJQBSA-N 0 0 388.439 3.559 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1c(F)cccc1Cl ZINC000831626266 1024688178 /nfs/dbraw/zinc/68/81/78/1024688178.db2.gz RZZUMPHNJSFXDJ-UHFFFAOYSA-N 0 0 395.837 3.901 20 10 GHCDRN CO[C@@H]1COCC[C@@H]1CNC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C ZINC001141358580 1024697611 /nfs/dbraw/zinc/69/76/11/1024697611.db2.gz GDDFNKZKTBQLCK-DENIHFKCSA-N 0 0 384.520 3.999 20 10 GHCDRN COC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])[C@H]1C ZINC001141373051 1024761619 /nfs/dbraw/zinc/76/16/19/1024761619.db2.gz KVBREJAJYJFRMY-CABZTGNLSA-N 0 0 376.678 3.582 20 10 GHCDRN CCN(CC)c1ccc(CN2CCN(C(=O)c3ccccc3F)CC2)c(OC)c1 ZINC001138388879 1024765036 /nfs/dbraw/zinc/76/50/36/1024765036.db2.gz HKNKAXHQKMAVKA-UHFFFAOYSA-N 0 0 399.510 3.639 20 10 GHCDRN COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC001141374947 1024767209 /nfs/dbraw/zinc/76/72/09/1024767209.db2.gz SOYUQCMBNWWVSH-KWBADKCTSA-N 0 0 388.689 3.582 20 10 GHCDRN C[C@@H](NC(=O)N[C@@H](C)CCCc1cccnc1)c1ccc(N2CCOCC2)cc1 ZINC000837882498 1024779037 /nfs/dbraw/zinc/77/90/37/1024779037.db2.gz OSNYPRDRZMIYCL-RBUKOAKNSA-N 0 0 396.535 3.690 20 10 GHCDRN C[C@@H](NC(=O)NC1(Cc2ccc(F)cc2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000837883435 1024780788 /nfs/dbraw/zinc/78/07/88/1024780788.db2.gz XZYIXUDIHFKLMA-QGZVFWFLSA-N 0 0 397.494 3.798 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N3CC(C)(C)[C@H]3c3ccncc3)CC2)cc1 ZINC000838190127 1024985455 /nfs/dbraw/zinc/98/54/55/1024985455.db2.gz BMUSYSODCKCQMG-OAQYLSRUSA-N 0 0 394.519 3.852 20 10 GHCDRN CC(C)O[C@H]1C[C@@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000838191488 1024986900 /nfs/dbraw/zinc/98/69/00/1024986900.db2.gz DEJHMVMPIOAEQL-RHNCMZPLSA-N 0 0 397.466 3.512 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@](CO)(C(C)C)C2)cc1F ZINC000838392356 1025108065 /nfs/dbraw/zinc/10/80/65/1025108065.db2.gz UOFCRCUSLYRRHC-NRFANRHFSA-N 0 0 379.520 3.612 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1F ZINC000838392805 1025108760 /nfs/dbraw/zinc/10/87/60/1025108760.db2.gz XJOMLPGUJUTIBJ-QFUCXCTJSA-N 0 0 391.531 3.897 20 10 GHCDRN C[C@@]1(F)CCCCN(Cc2ccc(N3CCOCC3)c(Br)c2)C1 ZINC001138676696 1025202248 /nfs/dbraw/zinc/20/22/48/1025202248.db2.gz RWBXLRVUTRTKNO-GOSISDBHSA-N 0 0 385.321 4.000 20 10 GHCDRN O=C(NC[C@H]1CCCCC1(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000838638037 1025256511 /nfs/dbraw/zinc/25/65/11/1025256511.db2.gz OOODQEBFJKJCBD-SJORKVTESA-N 0 0 382.451 3.908 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NC3CCC(CSC)CC3)CC2)cc1 ZINC000838648394 1025262410 /nfs/dbraw/zinc/26/24/10/1025262410.db2.gz ISABEISFODQDSE-UHFFFAOYSA-N 0 0 391.581 3.839 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000838694237 1025305095 /nfs/dbraw/zinc/30/50/95/1025305095.db2.gz OPBAUXCUUVLKAU-YMTOWFKASA-N 0 0 380.366 3.866 20 10 GHCDRN C[C@@H](c1ccccc1)N(C)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838747817 1025343347 /nfs/dbraw/zinc/34/33/47/1025343347.db2.gz YNTFIUGEPUOZRY-HNNXBMFYSA-N 0 0 389.446 3.704 20 10 GHCDRN C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838839791 1025390498 /nfs/dbraw/zinc/39/04/98/1025390498.db2.gz FRKCOBYLKNBODU-WBPRFABPSA-N 0 0 399.398 3.781 20 10 GHCDRN CC[C@H]1CCc2[nH]c(=O)c(C(=O)NCc3ccc(N4CCCC4)cc3)cc2C1 ZINC001141538671 1025431923 /nfs/dbraw/zinc/43/19/23/1025431923.db2.gz TYUGOCZBGGKHFK-INIZCTEOSA-N 0 0 379.504 3.832 20 10 GHCDRN COc1cc(N(C)Cc2ccccc2N2CCO[C@H](C)C2)cc(OC)c1OC ZINC000839003555 1025509983 /nfs/dbraw/zinc/50/99/83/1025509983.db2.gz JWYHIBRPOODXHF-MRXNPFEDSA-N 0 0 386.492 3.574 20 10 GHCDRN Cc1nnc(CNCc2ccc(N3CCCCC3)c(Br)c2)s1 ZINC000839006634 1025513501 /nfs/dbraw/zinc/51/35/01/1025513501.db2.gz UQDWCUXUCVZSFR-UHFFFAOYSA-N 0 0 381.343 3.889 20 10 GHCDRN CN(C(=O)C=C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000839228002 1025742771 /nfs/dbraw/zinc/74/27/71/1025742771.db2.gz UFEDWKMHTULTON-UHFFFAOYSA-N 0 0 375.425 3.515 20 10 GHCDRN COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c([N+](=O)[O-])cc1F ZINC000839241998 1025751702 /nfs/dbraw/zinc/75/17/02/1025751702.db2.gz OOKKZSVKVSLOFT-UHFFFAOYSA-N 0 0 389.427 3.859 20 10 GHCDRN Cc1ccc(F)c(CN(C)C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000839242881 1025751768 /nfs/dbraw/zinc/75/17/68/1025751768.db2.gz RSMVRMLOMIRHPZ-UHFFFAOYSA-N 0 0 399.510 3.596 20 10 GHCDRN CCOc1cc(CN2CCN(c3ccc(OC)cc3C)CC2)ccc1OC(C)=O ZINC001139007450 1025754133 /nfs/dbraw/zinc/75/41/33/1025754133.db2.gz GBAPOPLKDPVOAC-UHFFFAOYSA-N 0 0 398.503 3.650 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC(=CC(=O)N(CC(F)(F)F)c2ccccn2)CC1 ZINC000839255592 1025759678 /nfs/dbraw/zinc/75/96/78/1025759678.db2.gz FBPVYCKCGDOXBE-UHFFFAOYSA-N 0 0 399.413 3.934 20 10 GHCDRN COc1ccc(CNC(=O)[C@@H]2C[C@@]2(C)c2cccc(Br)c2)c(O)c1 ZINC001139031925 1025801286 /nfs/dbraw/zinc/80/12/86/1025801286.db2.gz GNERCSGCSWKOGW-LPHOPBHVSA-N 0 0 390.277 3.757 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+](C)Cc1cncc(Br)c1 ZINC001139125142 1025937681 /nfs/dbraw/zinc/93/76/81/1025937681.db2.gz NMHUDMDNASSEFK-UHFFFAOYSA-N 0 0 389.249 3.597 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC001139127019 1025939258 /nfs/dbraw/zinc/93/92/58/1025939258.db2.gz BAHQABBXJGBXPZ-UHFFFAOYSA-N 0 0 377.440 3.829 20 10 GHCDRN COc1ccccc1OC1CC[NH+](Cc2c([O-])ccc3c(C)cc(=O)oc32)CC1 ZINC001139131660 1025943273 /nfs/dbraw/zinc/94/32/73/1025943273.db2.gz QZMZDOCPKJGYHR-UHFFFAOYSA-N 0 0 395.455 3.859 20 10 GHCDRN COc1ccc(N2CCN(Cc3cc4cccnc4cc3F)CC2)c(OC)c1 ZINC001141634856 1025974145 /nfs/dbraw/zinc/97/41/45/1025974145.db2.gz UNNCVFASGPDZDQ-UHFFFAOYSA-N 0 0 381.451 3.713 20 10 GHCDRN CC[C@H](C)C[C@H](CO)NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000832819161 1025987421 /nfs/dbraw/zinc/98/74/21/1025987421.db2.gz ZAHHVFMHXRCTIN-HNAYVOBHSA-N 0 0 382.464 3.954 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)c1ccc(Br)s1 ZINC000839622755 1026128630 /nfs/dbraw/zinc/12/86/30/1026128630.db2.gz UGLHUQQREDQLOA-UHFFFAOYSA-N 0 0 382.279 3.838 20 10 GHCDRN C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001139282852 1026133383 /nfs/dbraw/zinc/13/33/83/1026133383.db2.gz UYRPPPBYBPZZCX-CYBMUJFWSA-N 0 0 395.419 3.639 20 10 GHCDRN C[C@H]1[C@@H](CO)CCCN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000839639820 1026148899 /nfs/dbraw/zinc/14/88/99/1026148899.db2.gz LQPLSFIOPWIAJG-JKSUJKDBSA-N 0 0 380.448 3.660 20 10 GHCDRN COc1cc2c(c(OC)c1)N(Cc1nc3cc(Cl)ccc3c(=O)[nH]1)CCC2 ZINC000839657007 1026177057 /nfs/dbraw/zinc/17/70/57/1026177057.db2.gz XVSQSDRKIRVSRK-UHFFFAOYSA-N 0 0 385.851 3.959 20 10 GHCDRN COC(=O)c1cnc(N[C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)c([N+](=O)[O-])c1 ZINC001163486018 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378.451 3.637 20 10 GHCDRN COC(=O)C[C@@H]1COCCN1C(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C ZINC001141736215 1026383743 /nfs/dbraw/zinc/38/37/43/1026383743.db2.gz WBTLQVUABJVRTQ-HXUWFJFHSA-N 0 0 398.503 3.622 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCn3ccnc32)c(C)n1-c1ccc(Br)cc1 ZINC000833301712 1026399954 /nfs/dbraw/zinc/39/99/54/1026399954.db2.gz UTKGRNOXARYKAN-KRWDZBQOSA-N 0 0 399.292 3.928 20 10 GHCDRN Cc1cc(C[NH+]2CCC3(CC2)C(=O)N(C)[C@H]3c2ccccc2)ccc1N(C)C ZINC001139672392 1026527585 /nfs/dbraw/zinc/52/75/85/1026527585.db2.gz WDXOQTMYLSKJFL-QFIPXVFZSA-N 0 0 377.532 3.857 20 10 GHCDRN Cc1cc([N+](=O)[O-])c(C(=O)NCc2cccc(Br)c2O)cc1Cl ZINC001139975290 1026772547 /nfs/dbraw/zinc/77/25/47/1026772547.db2.gz ZHNAUAFZDGAFIL-UHFFFAOYSA-N 0 0 399.628 3.955 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC2(CN(Cc3c(O)cccc3Br)C2)C1 ZINC001140100630 1026879857 /nfs/dbraw/zinc/87/98/57/1026879857.db2.gz XGKSZYNLDWABRF-UHFFFAOYSA-N 0 0 397.313 3.598 20 10 GHCDRN CO[C@H](C)CN(C)C(=O)c1cc(C)n(-c2ccccc2Br)c1C ZINC001140155806 1026929292 /nfs/dbraw/zinc/92/92/92/1026929292.db2.gz GPECLHCNNNPZOM-CYBMUJFWSA-N 0 0 379.298 3.964 20 10 GHCDRN C/C=C\c1ccc(OC[C@H](O)CSc2ncc(C(=O)OC)s2)c(OC)c1 ZINC000834383973 1026962290 /nfs/dbraw/zinc/96/22/90/1026962290.db2.gz YIRCWBQSIGXQGU-ZFDPJTLLSA-N 0 0 395.502 3.503 20 10 GHCDRN COC(=O)c1cnc(SC[C@@H](O)COc2ccc(Cl)cc2Cl)s1 ZINC000834383789 1026963322 /nfs/dbraw/zinc/96/33/22/1026963322.db2.gz WDVBQZJJZATTSF-VIFPVBQESA-N 0 0 394.301 3.769 20 10 GHCDRN CC1(C)C[C@@H](SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CO1 ZINC001166578536 1027031732 /nfs/dbraw/zinc/03/17/32/1027031732.db2.gz ZWNQYMIJKLQECC-CYBMUJFWSA-N 0 0 395.480 3.701 20 10 GHCDRN O=C(CSc1ncc(Cl)s1)Nc1ccccc1S(=O)(=O)C(F)F ZINC001166587570 1027035118 /nfs/dbraw/zinc/03/51/18/1027035118.db2.gz QIQSELPBGLKTQX-UHFFFAOYSA-N 0 0 398.865 3.524 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2nc(Cl)nc3[nH]cc(F)c32)C1 ZINC001166818273 1027094004 /nfs/dbraw/zinc/09/40/04/1027094004.db2.gz BCMSDFATOUZRPU-UHFFFAOYSA-N 0 0 385.830 3.813 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2nccc(N3CCCCC3)n2)C1 ZINC001166817935 1027094107 /nfs/dbraw/zinc/09/41/07/1027094107.db2.gz KUOIOBKUABTGET-UHFFFAOYSA-N 0 0 377.492 3.530 20 10 GHCDRN O=c1cc2c(nn1CN1CCCc3cc(OC(F)F)ccc31)-c1ccccc1C2 ZINC000840034872 1027100583 /nfs/dbraw/zinc/10/05/83/1027100583.db2.gz GDTDUULOQKLLLN-UHFFFAOYSA-N 0 0 395.409 3.826 20 10 GHCDRN COc1ccc(N2CCN(Cc3ccc(Cl)c(OC)c3F)CC2)c(OC)c1 ZINC001209704169 1027105264 /nfs/dbraw/zinc/10/52/64/1027105264.db2.gz ZMQPYOLRAKAEFX-UHFFFAOYSA-N 0 0 394.874 3.827 20 10 GHCDRN Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2cc(Br)cc(F)c2[O-])cn1 ZINC001203161728 1027219503 /nfs/dbraw/zinc/21/95/03/1027219503.db2.gz RBJVKHRYKBLILF-WBMJQRKESA-N 0 0 382.277 3.528 20 10 GHCDRN O=C1CN(Cc2c3c(ccc2O)oc2c3CCCC2)CN1CCC(F)(F)F ZINC000840116464 1027225475 /nfs/dbraw/zinc/22/54/75/1027225475.db2.gz XFMLXLSDAJZZPC-UHFFFAOYSA-N 0 0 382.382 3.571 20 10 GHCDRN CC[C@H](C[C@@H](C)O)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC001203429062 1027326235 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391.531 3.801 20 10 GHCDRN CC[C@@H](NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)c1c(C)nn(C)c1C ZINC000840314375 1027442831 /nfs/dbraw/zinc/44/28/31/1027442831.db2.gz JXAXODFRKQESQX-FOIQADDNSA-N 0 0 385.556 3.793 20 10 GHCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001203575183 1027443794 /nfs/dbraw/zinc/44/37/94/1027443794.db2.gz FDNQYZRKRXOSPG-CGTJXYLNSA-N 0 0 395.286 3.510 20 10 GHCDRN O=C1NC[C@@H](c2ccccc2)[C@@]12CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001203575527 1027445280 /nfs/dbraw/zinc/44/52/80/1027445280.db2.gz QNKSQNPPKMFVKP-JXFKEZNVSA-N 0 0 391.298 3.805 20 10 GHCDRN O=C1NCC[C@]12C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@H]2c1ccccc1 ZINC001203577333 1027445679 /nfs/dbraw/zinc/44/56/79/1027445679.db2.gz BHJJEJYZUUMOBM-OXJNMPFZSA-N 0 0 391.298 3.805 20 10 GHCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC001203578610 1027446623 /nfs/dbraw/zinc/44/66/23/1027446623.db2.gz OLTFUJIUNNUZSC-KUHUBIRLSA-N 0 0 395.286 3.621 20 10 GHCDRN O=C1OC2(CC[NH+](Cc3cc(Cl)cc(Cl)c3[O-])CC2)c2cnccc21 ZINC001203582016 1027451197 /nfs/dbraw/zinc/45/11/97/1027451197.db2.gz MPWDDGBHMXPYHW-UHFFFAOYSA-N 0 0 379.243 3.756 20 10 GHCDRN O=C(OCc1ccccc1)[C@@H]1CCCN1Cc1cc(Br)ccc1O ZINC001203636050 1027493854 /nfs/dbraw/zinc/49/38/54/1027493854.db2.gz NYJQLKMSMAMRRV-KRWDZBQOSA-N 0 0 390.277 3.863 20 10 GHCDRN Oc1ccc(Br)cc1CN1CCN(c2noc3ccccc32)CC1 ZINC001203636132 1027494190 /nfs/dbraw/zinc/49/41/90/1027494190.db2.gz PQADMRINBDBTCS-UHFFFAOYSA-N 0 0 388.265 3.618 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1 ZINC000840384343 1027502253 /nfs/dbraw/zinc/50/22/53/1027502253.db2.gz IBHVHMOWUKXAMF-CQSZACIVSA-N 0 0 382.512 3.704 20 10 GHCDRN C[C@@H]1c2ncc(COc3cccnc3)n2CCN1Cc1cc(Cl)ccc1O ZINC001203658734 1027513944 /nfs/dbraw/zinc/51/39/44/1027513944.db2.gz NAYUFMGURBAAKG-CQSZACIVSA-N 0 0 384.867 3.793 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)Cc1cc(Cl)cn1C ZINC000840479882 1027562899 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3.524 20 10 GHCDRN CN(C)c1ccc(/C=C/c2ccc(Nc3cnn(CS(C)(=O)=O)c3)cc2)cc1 ZINC001210791307 1027653998 /nfs/dbraw/zinc/65/39/98/1027653998.db2.gz PVTORLJNXDYDLX-SNAWJCMRSA-N 0 0 396.516 3.865 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(Cc2ccc(O)c(O)c2)[C@@H](c2ccccc2)C1 ZINC001203876047 1027675941 /nfs/dbraw/zinc/67/59/41/1027675941.db2.gz ZYEFGOGWDXNMSE-GOSISDBHSA-N 0 0 384.476 3.892 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC001210875994 1027688671 /nfs/dbraw/zinc/68/86/71/1027688671.db2.gz VWGDFWSJEWNSNF-LPHOPBHVSA-N 0 0 388.581 3.656 20 10 GHCDRN CCN(CC)c1ccc(CN2CCc3c(ncn3C(C)C)[C@H]2CNC(C)=O)cc1 ZINC001203940766 1027736677 /nfs/dbraw/zinc/73/66/77/1027736677.db2.gz YTVVKVKBYADNDV-JOCHJYFZSA-N 0 0 397.567 3.546 20 10 GHCDRN Fc1ccc(F)c2c1CC[C@H]2NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840760267 1027798697 /nfs/dbraw/zinc/79/86/97/1027798697.db2.gz VGEHLTAGSKZLGH-GOSISDBHSA-N 0 0 380.385 3.857 20 10 GHCDRN O=C1c2ccccc2N[C@@H](c2cc(Cl)c(F)cc2O)N1C[C@H]1CCCO1 ZINC000840785186 1027822771 /nfs/dbraw/zinc/82/27/71/1027822771.db2.gz NKMBASUDFCETTR-ADLMAVQZSA-N 0 0 376.815 3.930 20 10 GHCDRN C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001211311333 1027903875 /nfs/dbraw/zinc/90/38/75/1027903875.db2.gz GWMGSRCTFDARDZ-STQMWFEESA-N 0 0 388.339 3.866 20 10 GHCDRN COc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c(Cl)c(OC)c1 ZINC000840956146 1027985331 /nfs/dbraw/zinc/98/53/31/1027985331.db2.gz GPPNLKBHSCOBBC-UHFFFAOYSA-N 0 0 375.900 3.721 20 10 GHCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000840977429 1028016811 /nfs/dbraw/zinc/01/68/11/1028016811.db2.gz HQJFSPKNAASYME-JOYOIKCWSA-N 0 0 393.119 3.558 20 10 GHCDRN CCCOc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841054909 1028074554 /nfs/dbraw/zinc/07/45/54/1028074554.db2.gz CSUWHCOHVLLKGJ-IBGZPJMESA-N 0 0 383.492 3.900 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccnc(N3CCC[C@@H](C)C3)c2)cc1 ZINC001461335994 1069505792 /nfs/dbraw/zinc/50/57/92/1069505792.db2.gz 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ZINC001461417387 1069540612 /nfs/dbraw/zinc/54/06/12/1069540612.db2.gz OBKPJGANFWOWKK-UHFFFAOYSA-N 0 0 385.370 3.695 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000841653919 1028803012 /nfs/dbraw/zinc/80/30/12/1028803012.db2.gz QTSWIGQXGLMTQP-OAHLLOKOSA-N 0 0 380.492 3.698 20 10 GHCDRN Cc1ccc(S(=O)(=O)N(c2ccc(N)cc2)c2cccc(F)c2CO)cc1 ZINC001214615367 1028819263 /nfs/dbraw/zinc/81/92/63/1028819263.db2.gz ZDSQNNOKJVPECJ-UHFFFAOYSA-N 0 0 386.448 3.736 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1cccnc1-c1cnn(C)c1 ZINC000841696921 1028850536 /nfs/dbraw/zinc/85/05/36/1028850536.db2.gz GRXZYZLQOJTHMM-MRXNPFEDSA-N 0 0 392.507 3.609 20 10 GHCDRN O=C(Cc1ccc2c(c1)C(=O)c1ccccc1CO2)N1CCc2cccc(O)c2C1 ZINC001142425150 1028874498 /nfs/dbraw/zinc/87/44/98/1028874498.db2.gz AACGFKAHQNEUJP-UHFFFAOYSA-N 0 0 399.446 3.643 20 10 GHCDRN Nc1ccc(CCNC(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)cc1 ZINC000841757862 1028915797 /nfs/dbraw/zinc/91/57/97/1028915797.db2.gz BITVEZBRYOCDLI-GOSISDBHSA-N 0 0 375.419 3.790 20 10 GHCDRN C[C@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1cc(Br)c(F)cc1[O-] ZINC000841764749 1028923603 /nfs/dbraw/zinc/92/36/03/1028923603.db2.gz ZRTOYFBTUOHMKS-NSHDSACASA-N 0 0 390.293 3.512 20 10 GHCDRN COc1ccc(C[NH2+][C@@H](Cc2cccc(Br)c2)C(=O)[O-])cc1C ZINC000841803391 1028950608 /nfs/dbraw/zinc/95/06/08/1028950608.db2.gz IIZUPODWAGEQQR-INIZCTEOSA-N 0 0 378.266 3.552 20 10 GHCDRN Cn1cc2c(cccc2C[NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)n1 ZINC001142473555 1028976539 /nfs/dbraw/zinc/97/65/39/1028976539.db2.gz PHRSWZRTBRPBLI-UHFFFAOYSA-N 0 0 390.409 3.794 20 10 GHCDRN C[C@H](Cc1cc(Br)ccc1F)NC(=O)NCCc1ccc(N)cc1 ZINC000841863782 1028980533 /nfs/dbraw/zinc/98/05/33/1028980533.db2.gz FHIWDLRSWPUJHN-GFCCVEGCSA-N 0 0 394.288 3.643 20 10 GHCDRN O=C(c1ccccc1)N1CCC2(C1)CC[NH+](Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142517418 1029022525 /nfs/dbraw/zinc/02/25/25/1029022525.db2.gz MOOSIFRYJDXADE-UHFFFAOYSA-N 0 0 386.442 3.799 20 10 GHCDRN Cc1cc(-c2noc(-c3cc(O)c(O)c(O)c3)n2)c(Br)cc1F ZINC001215327742 1029155232 /nfs/dbraw/zinc/15/52/32/1029155232.db2.gz QQKFSYANBCAFSO-UHFFFAOYSA-N 0 0 381.157 3.730 20 10 GHCDRN CCN(c1ccc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1)C(C)C ZINC001461494782 1069576357 /nfs/dbraw/zinc/57/63/57/1069576357.db2.gz KGABNQDMYUBFLH-IBGZPJMESA-N 0 0 381.520 3.939 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(Cl)c(Cl)c1 ZINC001142687991 1029269971 /nfs/dbraw/zinc/26/99/71/1029269971.db2.gz XFLOYZVEXXOFIH-UHFFFAOYSA-N 0 0 382.243 3.905 20 10 GHCDRN CCOc1ccccc1-c1cc(C(=O)NCc2ccc3cccnc3c2O)[nH]n1 ZINC001142728010 1029351743 /nfs/dbraw/zinc/35/17/43/1029351743.db2.gz KKRARVWQUGPMLJ-UHFFFAOYSA-N 0 0 388.427 3.659 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1cccc(Br)n1 ZINC001216446328 1029641666 /nfs/dbraw/zinc/64/16/66/1029641666.db2.gz RFMBNGZSWXCAPJ-CYBMUJFWSA-N 0 0 391.313 3.971 20 10 GHCDRN COC(=O)CNC(=O)c1ccc(Nc2cccc3c2C(=O)c2ccccc2-3)cc1 ZINC001216458040 1029647612 /nfs/dbraw/zinc/64/76/12/1029647612.db2.gz QIOZVLXZJDDGFH-UHFFFAOYSA-N 0 0 386.407 3.544 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)[C@H]3CCN(c4ccccc4)C3)C2)cc1 ZINC000842872924 1029650773 /nfs/dbraw/zinc/65/07/73/1029650773.db2.gz CUGSDHLXUHCUHX-OALUTQOASA-N 0 0 380.488 3.591 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)c3cc(C)n([C@@H](C)C4CC4)n3)C2)cc1 ZINC000842878582 1029655311 /nfs/dbraw/zinc/65/53/11/1029655311.db2.gz LWNMHLROIKJPBG-DLBZAZTESA-N 0 0 383.492 3.854 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)c3ccccc3-c3nnc(C)o3)C2)cc1 ZINC000842878119 1029656203 /nfs/dbraw/zinc/65/62/03/1029656203.db2.gz HMNSDFLFBTYDMR-MRXNPFEDSA-N 0 0 393.443 3.737 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)CCC(=O)c3cccc(F)c3)C2)cc1 ZINC000842879963 1029658765 /nfs/dbraw/zinc/65/87/65/1029658765.db2.gz ULOTVZRBUPMOAE-MRXNPFEDSA-N 0 0 385.435 3.867 20 10 GHCDRN CC(C)n1cnnc1SCC(=O)Oc1ccc2c(c1)c1c(n2C)CCCC1 ZINC000843018934 1029760879 /nfs/dbraw/zinc/76/08/79/1029760879.db2.gz HBVAIJDRKAJJOQ-UHFFFAOYSA-N 0 0 384.505 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381.201 3.991 20 10 GHCDRN CCS[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001223253591 1030496648 /nfs/dbraw/zinc/49/66/48/1030496648.db2.gz BCHRAYDLRYUGOR-KFKAGJAMSA-N 0 0 377.554 3.637 20 10 GHCDRN Nc1c(Br)cccc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001150385746 1030512752 /nfs/dbraw/zinc/51/27/52/1030512752.db2.gz DKFVRNBWHXNPEJ-UHFFFAOYSA-N 0 0 375.266 3.546 20 10 GHCDRN CC[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3cc(Br)cc(F)c3[O-])C2)C1=O ZINC001276881605 1030526529 /nfs/dbraw/zinc/52/65/29/1030526529.db2.gz YVAAIHUCOYRUMJ-KZULUSFZSA-N 0 0 399.304 3.517 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc3[nH]c(=O)n(CC(C)(C)C)c32)c1 ZINC001150543443 1030561382 /nfs/dbraw/zinc/56/13/82/1030561382.db2.gz OWLWRACBPNQGIB-CYBMUJFWSA-N 0 0 397.475 3.993 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2c(Br)cccc2[N+](=O)[O-])c1 ZINC001150543969 1030562873 /nfs/dbraw/zinc/56/28/73/1030562873.db2.gz VZOBWNMVLMCMJB-SECBINFHSA-N 0 0 395.209 3.563 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](CCO)c2ccccc2)CCCC1 ZINC001150719234 1030625330 /nfs/dbraw/zinc/62/53/30/1030625330.db2.gz JQTYFIWLPRKZMK-NRFANRHFSA-N 0 0 392.499 3.769 20 10 GHCDRN CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NCc1cc(C)ccc1O ZINC001223703445 1030714783 /nfs/dbraw/zinc/71/47/83/1030714783.db2.gz GQMIOIBDGBPVJK-INIZCTEOSA-N 0 0 379.501 3.583 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)c1cn(C)c(=O)c2ccccc12 ZINC001150942249 1030717090 /nfs/dbraw/zinc/71/70/90/1030717090.db2.gz DRBAZDFEYGBJPW-NRFANRHFSA-N 0 0 390.483 3.914 20 10 GHCDRN Cc1ccc(C)c(N2CCN(C(=O)NCCCSc3nccs3)CC2)c1 ZINC001223738458 1030730321 /nfs/dbraw/zinc/73/03/21/1030730321.db2.gz JNDBPSPGCDHJCM-UHFFFAOYSA-N 0 0 390.578 3.774 20 10 GHCDRN CC(C)(CO)[C@H](NC(=O)NCCCSc1nccs1)c1ccccc1 ZINC001223738526 1030730445 /nfs/dbraw/zinc/73/04/45/1030730445.db2.gz KNUDEVOEMWOUFC-OAHLLOKOSA-N 0 0 379.551 3.684 20 10 GHCDRN CCC(CC)(CC)CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001223821148 1030769212 /nfs/dbraw/zinc/76/92/12/1030769212.db2.gz JIIXOEIXVDPICD-UHFFFAOYSA-N 0 0 383.483 3.817 20 10 GHCDRN Nc1ccc(NC(=O)Nc2ccc(NC(=O)c3cccn4ccnc34)cc2)cc1 ZINC001151477244 1030918889 /nfs/dbraw/zinc/91/88/89/1030918889.db2.gz YEOKMMQQGQNGPO-UHFFFAOYSA-N 0 0 386.415 3.813 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)c3cccc4cc(O)ccc43)CC2)cc1 ZINC001151503204 1030928367 /nfs/dbraw/zinc/92/83/67/1030928367.db2.gz OVNHNMVPOXJAAK-UHFFFAOYSA-N 0 0 376.456 3.907 20 10 GHCDRN O=C1N(CC(F)F)CC[C@]12CCC[N@@H+](Cc1cc(F)c(Cl)cc1[O-])CC2 ZINC001276967910 1030982019 /nfs/dbraw/zinc/98/20/19/1030982019.db2.gz VEYHJEREIYZZED-GOSISDBHSA-N 0 0 390.833 3.654 20 10 GHCDRN C[C@H](NC(=O)[C@@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2)c1ccccc1O ZINC001151900541 1031044770 /nfs/dbraw/zinc/04/47/70/1031044770.db2.gz SKNZLWHCYCQLML-NVVBAYIOSA-N 0 0 394.471 3.618 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCO[C@@](C)(C(F)(F)F)C3)ccc21 ZINC001152207893 1031147465 /nfs/dbraw/zinc/14/74/65/1031147465.db2.gz SNMJGNLWJSOIBL-LJQANCHMSA-N 0 0 398.425 3.698 20 10 GHCDRN Nc1cc(C(=O)Nc2c(N)ccc3c2C(=O)c2ccccc2C3=O)ccc1Cl 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ZINC001478860762 1079005764 /nfs/dbraw/zinc/00/57/64/1079005764.db2.gz RVUKKLCJDNYOKP-GOSISDBHSA-N 0 0 379.504 3.911 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@@]34CCC[C@]3(OC)OCC4)c2C)cc1 ZINC001471772866 1073215483 /nfs/dbraw/zinc/21/54/83/1073215483.db2.gz CJCHLMYTWZGBPP-YADHBBJMSA-N 0 0 384.476 3.518 20 10 GHCDRN C[C@H](C(=O)NCc1c(O)cccc1F)c1ccc(I)cc1 ZINC001471976458 1073288293 /nfs/dbraw/zinc/28/82/93/1073288293.db2.gz ZPZXLENFIUVZEG-JTQLQIEISA-N 0 0 399.203 3.556 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC001479046512 1079080189 /nfs/dbraw/zinc/08/01/89/1079080189.db2.gz JPEZXLGUHCGOGV-QHCPKHFHSA-N 0 0 393.531 3.960 20 10 GHCDRN Cc1nc2ccccc2n1CCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001472472263 1073502937 /nfs/dbraw/zinc/50/29/37/1073502937.db2.gz JTNJWADEADNMOJ-UHFFFAOYSA-N 0 0 376.504 3.994 20 10 GHCDRN CCOC(=O)c1cnc(C(=O)NCc2ccc(N(CC)CC)cc2)c(Cl)c1 ZINC001472491617 1073510312 /nfs/dbraw/zinc/51/03/12/1073510312.db2.gz OXYWKIIAKRVBIP-UHFFFAOYSA-N 0 0 389.883 3.688 20 10 GHCDRN CCOCc1nc(Cl)cc(NC[C@@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC001472813745 1073677322 /nfs/dbraw/zinc/67/73/22/1073677322.db2.gz JMJNFWHOKGVGFZ-AWEZNQCLSA-N 0 0 376.888 3.614 20 10 GHCDRN COC(=O)c1cnc(S[C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)s1 ZINC001473034895 1073756690 /nfs/dbraw/zinc/75/66/90/1073756690.db2.gz AFGXETQJNFMXMT-SSDOTTSWSA-N 0 0 397.478 3.798 20 10 GHCDRN CN(C)c1ccc(CNC(=O)COc2cc(Cl)ccc2Br)cc1 ZINC001473070364 1073769002 /nfs/dbraw/zinc/76/90/02/1073769002.db2.gz WMCWBDIZAPONFL-UHFFFAOYSA-N 0 0 397.700 3.864 20 10 GHCDRN CN(C)c1ccc(CNC(=O)CSc2nc3cccc(F)c3s2)cc1 ZINC001473077634 1073771299 /nfs/dbraw/zinc/77/12/99/1073771299.db2.gz CIHTWFBMALPXOH-UHFFFAOYSA-N 0 0 375.494 3.910 20 10 GHCDRN COc1ccc(N(C)CC(=O)NCCc2cccc(Cl)c2Cl)cc1F ZINC001473250853 1073889813 /nfs/dbraw/zinc/88/98/13/1073889813.db2.gz OWKRJJBCJTVYBZ-UHFFFAOYSA-N 0 0 385.266 3.936 20 10 GHCDRN CCOCCOC1CC[NH+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001474332424 1074346663 /nfs/dbraw/zinc/34/66/63/1074346663.db2.gz 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COC(=O)c1cnoc1CN(Cc1ccccc1)c1ccc(OC)c(OC)c1 ZINC001460974802 1069309943 /nfs/dbraw/zinc/30/99/43/1069309943.db2.gz SRNTWMACALMXDR-UHFFFAOYSA-N 0 0 382.416 3.685 20 10 GHCDRN COc1ccccc1COC[C@@H](O)CSc1ncc(-c2ccccc2)n1C ZINC000066402734 837387048 /nfs/dbraw/zinc/38/70/48/837387048.db2.gz YGTFWGOKUMWCSQ-GOSISDBHSA-N 0 0 384.501 3.766 20 10 GHCDRN C[C@H](NC(=O)c1cc(F)cc2cccnc21)c1ccc(N2CCOCC2)cc1 ZINC000162821019 837432951 /nfs/dbraw/zinc/43/29/51/837432951.db2.gz UVKYZIAZIMEBKW-HNNXBMFYSA-N 0 0 379.435 3.702 20 10 GHCDRN C[C@H](NCc1ccn(-c2ccccc2)n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000163221207 837533673 /nfs/dbraw/zinc/53/36/73/837533673.db2.gz UAQFZQBDRYHPSF-KRWDZBQOSA-N 0 0 380.467 3.699 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(Oc2ccncc2)c1 ZINC000173208890 837584082 /nfs/dbraw/zinc/58/40/82/837584082.db2.gz KMUFILVXMZMLCE-UHFFFAOYSA-N 0 0 375.428 3.979 20 10 GHCDRN Cc1c(CC(=O)N(Cc2ccco2)Cc2ccccc2O)cccc1[N+](=O)[O-] ZINC000161740983 834494731 /nfs/dbraw/zinc/49/47/31/834494731.db2.gz 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GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000471245022 836320522 /nfs/dbraw/zinc/32/05/22/836320522.db2.gz SORBZXWEDCCSNE-LJQANCHMSA-N 0 0 389.499 3.655 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000066622804 836453858 /nfs/dbraw/zinc/45/38/58/836453858.db2.gz XGZHIMCFICURIV-FQEVSTJZSA-N 0 0 380.488 3.683 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCOc2cccc3ccccc32)c1 ZINC000728947155 844173467 /nfs/dbraw/zinc/17/34/67/844173467.db2.gz OIZYDOQLGAXMPP-OAHLLOKOSA-N 0 0 380.444 3.993 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000804738514 836817462 /nfs/dbraw/zinc/81/74/62/836817462.db2.gz SOZHMGUMGYMTNW-UHFFFAOYSA-N 0 0 385.601 3.646 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)OCc3noc(C(C)(C)C)n3)ccc21 ZINC000728640540 837303204 /nfs/dbraw/zinc/30/32/04/837303204.db2.gz XRHCWGYPRFLVBO-UHFFFAOYSA-N 0 0 385.464 3.942 20 10 GHCDRN Cc1nc(Br)ccc1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000181360077 838010568 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ZINC000854981484 880195617 /nfs/dbraw/zinc/19/56/17/880195617.db2.gz UARVYFXTKLGPKQ-PGRDOPGGSA-N 0 0 382.504 3.542 20 10 GHCDRN CN1CCCc2cc(CNC(=O)N[C@H](c3ccc(F)cc3)[C@@H]3CCCO3)ccc21 ZINC000746980934 880222872 /nfs/dbraw/zinc/22/28/72/880222872.db2.gz CCAWXGOEVLQKCW-FCHUYYIVSA-N 0 0 397.494 3.928 20 10 GHCDRN Cc1cc(CC(=O)N[C@@H](c2cccnc2)C(C)(C)CO)c(C)n1-c1ccccc1 ZINC000855107688 880266843 /nfs/dbraw/zinc/26/68/43/880266843.db2.gz BOZCJQUSXBPIAB-QHCPKHFHSA-N 0 0 391.515 3.908 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)OC[C@H]3CC4(CCC4)C(=O)O3)c2C)cc1 ZINC000791275660 880301026 /nfs/dbraw/zinc/30/10/26/880301026.db2.gz VPWGKVRBAZKMAC-GOSISDBHSA-N 0 0 383.444 3.745 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccccc1OC ZINC000791245498 880305364 /nfs/dbraw/zinc/30/53/64/880305364.db2.gz AHTABZLKAXLDAK-UHFFFAOYSA-N 0 0 384.476 3.697 20 10 GHCDRN CCc1c(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cnn1C(CC)CC ZINC000855223196 880367998 /nfs/dbraw/zinc/36/79/98/880367998.db2.gz CJZKIRSATVVTMC-INIZCTEOSA-N 0 0 384.524 3.824 20 10 GHCDRN CCOc1ccccc1OCCCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855228994 880373256 /nfs/dbraw/zinc/37/32/56/880373256.db2.gz IQPJKHLQXDJGLB-SFHVURJKSA-N 0 0 398.503 3.648 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3cc4ccc(OC)cc4nc3C)C2)cc1 ZINC000855229297 880374051 /nfs/dbraw/zinc/37/40/51/880374051.db2.gz MHDXVJSTULFPOZ-KRWDZBQOSA-N 0 0 391.471 3.569 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(Br)cc3F)C2)cc1 ZINC000855229074 880374143 /nfs/dbraw/zinc/37/41/43/880374143.db2.gz JXJYNDUNPCZJMV-CYBMUJFWSA-N 0 0 393.256 3.606 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3c(C)oc4ccc(OC)cc43)C2)cc1 ZINC000855232177 880376854 /nfs/dbraw/zinc/37/68/54/880376854.db2.gz OVLYCVSKNTYRER-HNNXBMFYSA-N 0 0 380.444 3.767 20 10 GHCDRN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)Cc2ccccc21 ZINC000855249139 880384193 /nfs/dbraw/zinc/38/41/93/880384193.db2.gz BQQMYLZCUPAJAB-SXAWMYDMSA-N 0 0 395.455 3.579 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)c2cnccn2)cc1 ZINC000791483372 880440119 /nfs/dbraw/zinc/44/01/19/880440119.db2.gz QTVQFFNLYNCFIR-UHFFFAOYSA-N 0 0 389.415 3.998 20 10 GHCDRN CO[C@@H]1CCC[C@@H]([C@@H](CO)NC(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC000855350954 880474648 /nfs/dbraw/zinc/47/46/48/880474648.db2.gz XYWBJISAARTJQM-SFHLNBCPSA-N 0 0 384.520 3.698 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3ccn(C4CCCCC4)n3)CC2)cc1 ZINC000791535696 880486310 /nfs/dbraw/zinc/48/63/10/880486310.db2.gz ZRTWOWKTUNXAHU-UHFFFAOYSA-N 0 0 382.508 3.749 20 10 GHCDRN COC(=O)[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)[C@@H]2CCCC[C@H]12 ZINC000855642730 880655610 /nfs/dbraw/zinc/65/56/10/880655610.db2.gz KHYSDQZZWUOBAW-QWFCFKBJSA-N 0 0 395.503 3.683 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3C[C@H](O)c4ccccc43)ccc21 ZINC000855723194 880699046 /nfs/dbraw/zinc/69/90/46/880699046.db2.gz HUSCEGIMRISLBS-UNMCSNQZSA-N 0 0 378.472 3.813 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)OCCO[C@@H]3CCCCO3)ccc21 ZINC000791842096 880746933 /nfs/dbraw/zinc/74/69/33/880746933.db2.gz HSIRMRCECFMFRS-HXUWFJFHSA-N 0 0 375.465 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C[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1cn(C)c2ccccc12 ZINC000856212623 881047884 /nfs/dbraw/zinc/04/78/84/881047884.db2.gz PDPIBTBYHPGSBY-QGZVFWFLSA-N 0 0 391.515 3.559 20 10 GHCDRN Cc1cc(C(=O)N2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)c(C)n1-c1ccccn1 ZINC000856360985 881172159 /nfs/dbraw/zinc/17/21/59/881172159.db2.gz UFRLGULVRHPBNK-HIFRSBDPSA-N 0 0 381.398 3.671 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCn2c(nnc2C(C)(C)C)C1 ZINC000856363067 881175669 /nfs/dbraw/zinc/17/56/69/881175669.db2.gz WJXMYZZKUYGTGK-UHFFFAOYSA-N 0 0 383.521 3.701 20 10 GHCDRN COc1c(O)c(CN(C)Cc2cscc2Br)ccc1[N+](=O)[O-] ZINC001183572617 912653130 /nfs/dbraw/zinc/65/31/30/912653130.db2.gz MYZLHKFQVMUPAF-UHFFFAOYSA-N 0 0 387.255 3.765 20 10 GHCDRN Cc1cc(C(=O)N2CCO[C@]3(CCO[C@@H]3C)C2)c(C)n1-c1cccc(Cl)c1 ZINC000792542821 881203737 /nfs/dbraw/zinc/20/37/37/881203737.db2.gz YRMFOJUMWADTBX-IIBYNOLFSA-N 0 0 388.895 3.768 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2cc(Br)cs2)c1 ZINC000103513008 881258413 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COc1ccc(CNc2cc(Br)cnc2Br)c(O)c1 ZINC000804681631 883236423 /nfs/dbraw/zinc/23/64/23/883236423.db2.gz APNWWAQSPFRGHM-UHFFFAOYSA-N 0 0 388.059 3.933 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000858625911 883241878 /nfs/dbraw/zinc/24/18/78/883241878.db2.gz GPGJBNDSLCYITK-MOPGFXCFSA-N 0 0 386.442 3.611 20 10 GHCDRN Cc1cn(CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nc1C(F)(F)F ZINC000858662876 883264654 /nfs/dbraw/zinc/26/46/54/883264654.db2.gz JYDFYJXFXPJTFJ-UHFFFAOYSA-N 0 0 382.430 3.714 20 10 GHCDRN Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nn1C1CCOCC1 ZINC000858662781 883264825 /nfs/dbraw/zinc/26/48/25/883264825.db2.gz IMCPZWCVWDISRQ-UHFFFAOYSA-N 0 0 384.524 3.660 20 10 GHCDRN Cc1cc(C(=O)NC[C@@H](O)COc2cccc(F)c2)c(C)n1-c1cccc(C)c1 ZINC000747211018 883278264 /nfs/dbraw/zinc/27/82/64/883278264.db2.gz XGZFGVGWLKGEII-HXUWFJFHSA-N 0 0 396.462 3.711 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)NCc2c(C(F)(F)F)cnn2C)cc1 ZINC000858687974 883285029 /nfs/dbraw/zinc/28/50/29/883285029.db2.gz VNLYASBZXSLHML-UHFFFAOYSA-N 0 0 397.445 3.627 20 10 GHCDRN CNC(=O)CC[C@@H]1CCCCN1C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000804742350 883301684 /nfs/dbraw/zinc/30/16/84/883301684.db2.gz ZUDHIIKUGVUZEF-IBGZPJMESA-N 0 0 381.520 3.923 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1sc2ncccc2c1Cl ZINC000858724583 883308014 /nfs/dbraw/zinc/30/80/14/883308014.db2.gz QXCNVHYPGFDPDB-UHFFFAOYSA-N 0 0 387.892 3.716 20 10 GHCDRN COc1cccc(Cl)c1CC(=O)NCc1cc(Br)ccc1O ZINC000804737249 883319970 /nfs/dbraw/zinc/31/99/70/883319970.db2.gz LXJRMKWKUIRZQF-UHFFFAOYSA-N 0 0 384.657 3.676 20 10 GHCDRN C[C@@H](C(=O)NCc1cc(Br)ccc1O)c1ccc([N+](=O)[O-])cc1F ZINC000804738070 883321545 /nfs/dbraw/zinc/32/15/45/883321545.db2.gz BAVKJUICGJUUGD-SECBINFHSA-N 0 0 397.200 3.622 20 10 GHCDRN CC(C)(C(=O)NCc1cc(Br)ccc1O)c1ccc([N+](=O)[O-])cc1 ZINC000804738507 883322263 /nfs/dbraw/zinc/32/22/63/883322263.db2.gz SNPASHPBDGOLCD-UHFFFAOYSA-N 0 0 393.237 3.657 20 10 GHCDRN Cc1cc(CNc2cc(N3CC[C@@H]([C@@H](C)O)C3)ncn2)c(C)n1-c1ccccc1 ZINC000858802232 883366350 /nfs/dbraw/zinc/36/63/50/883366350.db2.gz FXIFFOPFYLIDIY-RTBURBONSA-N 0 0 391.519 3.703 20 10 GHCDRN CCC(F)(F)C(C)(C)CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000858818675 883377381 /nfs/dbraw/zinc/37/73/81/883377381.db2.gz MJLPVWAHXDJBNU-UHFFFAOYSA-N 0 0 383.483 3.518 20 10 GHCDRN COc1cccc(-c2noc(NCc3cc(Br)ccc3O)n2)c1 ZINC000804828600 883388796 /nfs/dbraw/zinc/38/87/96/883388796.db2.gz ZXIOSOGEVVSHSR-UHFFFAOYSA-N 0 0 376.210 3.825 20 10 GHCDRN CC(C)(C)c1nnc2ccc(NCc3cc(Br)ccc3O)nn21 ZINC000804828756 883388951 /nfs/dbraw/zinc/38/89/51/883388951.db2.gz ZEJLBBRPYQOEMO-UHFFFAOYSA-N 0 0 376.258 3.502 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3cccc(OC(F)(F)F)c3)CC2)cc1F ZINC000763457038 883410918 /nfs/dbraw/zinc/41/09/18/883410918.db2.gz RMKPXXNGQZGVOH-UHFFFAOYSA-N 0 0 398.356 3.695 20 10 GHCDRN CCOCc1ccc(CNC(=O)NCc2cc(Br)ccc2O)cc1 ZINC000804906017 883440514 /nfs/dbraw/zinc/44/05/14/883440514.db2.gz CPWQSGCPIPYNGH-UHFFFAOYSA-N 0 0 393.281 3.691 20 10 GHCDRN 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CCCCOc1cccc(NC(=O)C(=O)N(CCC)Cc2ccccc2O)c1 ZINC000125729663 892938026 /nfs/dbraw/zinc/93/80/26/892938026.db2.gz RKIUMAZFWKTMEJ-UHFFFAOYSA-N 0 0 384.476 3.948 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1C(F)(F)F ZINC000125739509 892943421 /nfs/dbraw/zinc/94/34/21/892943421.db2.gz MDZKEOWGEZNGPB-UHFFFAOYSA-N 0 0 380.366 3.788 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc2ccc(C)nc21 ZINC000125745288 892946675 /nfs/dbraw/zinc/94/66/75/892946675.db2.gz VVJUZLGZPDMZOT-UHFFFAOYSA-N 0 0 377.444 3.626 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NCC3(c4ccc(F)cc4)CC3)CC2)cc1 ZINC000918009125 892952376 /nfs/dbraw/zinc/95/23/76/892952376.db2.gz GKSOBEURKJITBJ-UHFFFAOYSA-N 0 0 397.494 3.788 20 10 GHCDRN C[C@H]1C[C@@H]1c1ccc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000918016237 893011561 /nfs/dbraw/zinc/01/15/61/893011561.db2.gz GCLCDZGMVNVBDJ-JXFKEZNVSA-N 0 0 383.492 3.581 20 10 GHCDRN COc1ccccc1[C@@H]1CCN(C(=O)NCCCSc2nccs2)C1 ZINC000154622198 893019125 /nfs/dbraw/zinc/01/91/25/893019125.db2.gz AUXLJFRBYGHSAO-CQSZACIVSA-N 0 0 377.535 3.833 20 10 GHCDRN CN1CCCc2cc(CNC(=O)c3cccc(F)c3Br)ccc21 ZINC000814675105 893052473 /nfs/dbraw/zinc/05/24/73/893052473.db2.gz ZXPHACSCMRSFHN-UHFFFAOYSA-N 0 0 377.257 3.901 20 10 GHCDRN CN1CCCc2cc(CNC(=O)C3(Cc4ccc(F)cc4)CCOCC3)ccc21 ZINC000814671698 893080609 /nfs/dbraw/zinc/08/06/09/893080609.db2.gz DYXPZROZLVGDPD-UHFFFAOYSA-N 0 0 396.506 3.864 20 10 GHCDRN COc1ccc(O)c(CNC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)c1 ZINC000125919326 893108612 /nfs/dbraw/zinc/10/86/12/893108612.db2.gz XESRFXRYUWCWSJ-NSHDSACASA-N 0 0 396.256 3.797 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C[C@@](O)(c2ccc(C)o2)C(F)(F)F)cc1 ZINC000918112850 893141209 /nfs/dbraw/zinc/14/12/09/893141209.db2.gz OMJQGJMFUUAAHH-LJQANCHMSA-N 0 0 398.425 3.891 20 10 GHCDRN OC1CCN(c2ccc(CN3CCO[C@H](c4ccc(Cl)cc4)C3)cc2)CC1 ZINC000876585841 893239880 /nfs/dbraw/zinc/23/98/80/893239880.db2.gz XQTGYADLGJANRD-QFIPXVFZSA-N 0 0 386.923 3.875 20 10 GHCDRN COc1cc([N+](=O)[O-])c(N2CC(C)(C)O[C@](C)(C(F)(F)F)C2)cc1OC ZINC000814909756 893269279 /nfs/dbraw/zinc/26/92/79/893269279.db2.gz NIKOPMBELIBVTP-HNNXBMFYSA-N 0 0 378.347 3.548 20 10 GHCDRN O=C1CCCN1c1ccc(F)c(NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000876832536 893354488 /nfs/dbraw/zinc/35/44/88/893354488.db2.gz DTAUMZDMHQTNKE-UHFFFAOYSA-N 0 0 383.467 3.526 20 10 GHCDRN Cc1cc(-c2noc(CCC(=O)N(C)Cc3ccc(N(C)C)cc3)n2)ccc1F ZINC000918216134 893369404 /nfs/dbraw/zinc/36/94/04/893369404.db2.gz PDBWHANOMWGUOO-UHFFFAOYSA-N 0 0 396.466 3.841 20 10 GHCDRN C[C@H](OC1CCCCCC1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000126255577 893406429 /nfs/dbraw/zinc/40/64/29/893406429.db2.gz QQTSKKYSBUCLSQ-SFHVURJKSA-N 0 0 388.552 3.639 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000918309040 893468124 /nfs/dbraw/zinc/46/81/24/893468124.db2.gz GGKKIOSVJHIKRX-UHFFFAOYSA-N 0 0 391.874 3.922 20 10 GHCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CCc2cccc(C(F)(F)F)n2)c1[O-] ZINC000815142398 893514015 /nfs/dbraw/zinc/51/40/15/893514015.db2.gz RUJFNIUADWUCLY-UHFFFAOYSA-N 0 0 375.734 3.700 20 10 GHCDRN CCOc1ccc2cc(C(=O)N3CCCN(c4ccc(OC)cc4)CC3)[nH]c2c1 ZINC000918369880 893557402 /nfs/dbraw/zinc/55/74/02/893557402.db2.gz YRKFYZDMNKKWRS-UHFFFAOYSA-N 0 0 393.487 3.928 20 10 GHCDRN CC(=O)OCCCc1cccc(NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000877383006 893586171 /nfs/dbraw/zinc/58/61/71/893586171.db2.gz BKVDJXBTPQSBKC-UHFFFAOYSA-N 0 0 382.504 3.756 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000126518726 893594843 /nfs/dbraw/zinc/59/48/43/893594843.db2.gz AJGQRHIAZKFSIY-IBGZPJMESA-N 0 0 377.492 3.546 20 10 GHCDRN COCCn1cc(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1 ZINC000918447830 893708288 /nfs/dbraw/zinc/70/82/88/893708288.db2.gz JTJIEJNCLKPXLI-UHFFFAOYSA-N 0 0 392.419 3.522 20 10 GHCDRN CCCOc1cccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000918457682 893735182 /nfs/dbraw/zinc/73/51/82/893735182.db2.gz WOAFTCQPUYPLKB-UHFFFAOYSA-N 0 0 395.503 3.671 20 10 GHCDRN O=C(c1ccnc(Br)c1)N(Cc1ccco1)Cc1ccccc1O ZINC000154734100 893776361 /nfs/dbraw/zinc/77/63/61/893776361.db2.gz GJYPNEDKVORLQC-UHFFFAOYSA-N 0 0 387.233 3.985 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCc1cc(=O)n2ccccc2n1 ZINC000918511167 893857251 /nfs/dbraw/zinc/85/72/51/893857251.db2.gz CVAFHEVTFRYQLL-UHFFFAOYSA-N 0 0 379.441 3.521 20 10 GHCDRN Cc1ccc(CN(CC2CC2)C(=O)NCc2ccc3c(c2)CCCN3C)cn1 ZINC000826019702 893995269 /nfs/dbraw/zinc/99/52/69/893995269.db2.gz KGLRWNWTGHOZKY-UHFFFAOYSA-N 0 0 378.520 3.894 20 10 GHCDRN C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1cccc(C(F)(F)F)c1[O-] ZINC000815557399 893995273 /nfs/dbraw/zinc/99/52/73/893995273.db2.gz UEHNJFPAGQNNKG-ZDUSSCGKSA-N 0 0 376.382 3.902 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)c2ccc([C@H]3CCC(=O)N3)cc2)C2CC2)cc1 ZINC000878143746 894048594 /nfs/dbraw/zinc/04/85/94/894048594.db2.gz REVSVTHMKCJZRX-OAQYLSRUSA-N 0 0 377.488 3.509 20 10 GHCDRN COc1ccc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(Cl)c1OC ZINC000815638745 894087277 /nfs/dbraw/zinc/08/72/77/894087277.db2.gz CXFDUBUDFPAOMY-LLVKDONJSA-N 0 0 380.828 3.864 20 10 GHCDRN CO[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000815715437 894151349 /nfs/dbraw/zinc/15/13/49/894151349.db2.gz HLVXRUZDNSZGMJ-ZTFGCOKTSA-N 0 0 382.451 3.578 20 10 GHCDRN O=C(Nc1cccc(N2CCCC2)c1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000878307260 894183776 /nfs/dbraw/zinc/18/37/76/894183776.db2.gz MTABSOALTZVQRC-UHFFFAOYSA-N 0 0 383.404 3.609 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)c1cn2c(Br)cnc2s1 ZINC000815797594 894216302 /nfs/dbraw/zinc/21/63/02/894216302.db2.gz WTYCLBOPCJWKDY-UHFFFAOYSA-N 0 0 394.294 3.916 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)C=C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000815834818 894244571 /nfs/dbraw/zinc/24/45/71/894244571.db2.gz AYQZKRPCDNWHSF-CQSZACIVSA-N 0 0 390.480 3.535 20 10 GHCDRN Cc1nc(C(C)C)oc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000815835261 894245985 /nfs/dbraw/zinc/24/59/85/894245985.db2.gz OHIAQNUOQBVMDS-INIZCTEOSA-N 0 0 391.899 3.860 20 10 GHCDRN COc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccccc3SC)CC2)cc1 ZINC000039561453 894340489 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CSc1nnc(CCC[NH2+]Cc2cc(Cl)c(F)cc2[O-])n1CC(C)C ZINC000816549007 894917947 /nfs/dbraw/zinc/91/79/47/894917947.db2.gz ACHNWTDSBBNCHQ-UHFFFAOYSA-N 0 0 386.924 3.877 20 10 GHCDRN COc1cc(CN2CC[C@@H]([NH2+]Cc3cc(Cl)c(F)cc3[O-])C2)cc(OC)c1 ZINC000816557466 894941608 /nfs/dbraw/zinc/94/16/08/894941608.db2.gz QTMOIKGEIXVBSB-OAHLLOKOSA-N 0 0 394.874 3.566 20 10 GHCDRN Cc1nccc(CCC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n1 ZINC000816575140 894952812 /nfs/dbraw/zinc/95/28/12/894952812.db2.gz DSRDWQCHVQMWPW-OAHLLOKOSA-N 0 0 386.927 3.924 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000826104672 894975831 /nfs/dbraw/zinc/97/58/31/894975831.db2.gz BZZFCURKRJDXNK-OFQRWUPVSA-N 0 0 379.451 3.745 20 10 GHCDRN Cc1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000127650497 894983071 /nfs/dbraw/zinc/98/30/71/894983071.db2.gz YRSFGJFPYYHSQM-MRXNPFEDSA-N 0 0 395.908 3.724 20 10 GHCDRN O=C(Nc1ccc(OC(=O)C2=CC(=O)CS2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001135676656 895031560 /nfs/dbraw/zinc/03/15/60/895031560.db2.gz BJIOTNBDRDTORY-UHFFFAOYSA-N 0 0 384.369 3.833 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C ZINC000801546222 921118883 /nfs/dbraw/zinc/11/88/83/921118883.db2.gz JVCJTDSKXHPYOK-HNNXBMFYSA-N 0 0 381.476 3.612 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2nn(CC)cc2Br)cc1 ZINC001135735839 895164849 /nfs/dbraw/zinc/16/48/49/895164849.db2.gz TWKBBTQRRAHAHY-UHFFFAOYSA-N 0 0 393.329 3.784 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001135732667 895179633 /nfs/dbraw/zinc/17/96/33/895179633.db2.gz ATLNHDIRIPHXHF-XQBPLPMBSA-N 0 0 389.584 3.625 20 10 GHCDRN Cc1cc(C(=O)Nc2nc(C)n(C)n2)c(C)n1-c1ccccc1Br ZINC000817018705 895262433 /nfs/dbraw/zinc/26/24/33/895262433.db2.gz RUBXNDSQXYFWQW-UHFFFAOYSA-N 0 0 388.269 3.546 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H](O)c1ccc2ccccc2c1 ZINC000128026016 895318743 /nfs/dbraw/zinc/31/87/43/895318743.db2.gz MLPFQBAPJUCYJD-HSZRJFAPSA-N 0 0 387.483 3.749 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000128027438 895318780 /nfs/dbraw/zinc/31/87/80/895318780.db2.gz KLXAUAZUFGCRIW-OAQYLSRUSA-N 0 0 397.906 3.999 20 10 GHCDRN CN=[S@@](C)(=O)c1cccc(NC(=O)NCCCSc2nccs2)c1 ZINC000879839349 895342820 /nfs/dbraw/zinc/34/28/20/895342820.db2.gz XUFVEHLDBGBYLN-DEOSSOPVSA-N 0 0 384.552 3.534 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cccc([S@](C)(=O)=NC)c1 ZINC000879841689 895346638 /nfs/dbraw/zinc/34/66/38/895346638.db2.gz LBXVYDGBTADQGN-SANMLTNESA-N 0 0 375.494 3.923 20 10 GHCDRN COc1nccc(F)c1C(=O)Nc1ccc(NC(=O)Nc2ccc(N)cc2)cc1 ZINC001185569922 913962807 /nfs/dbraw/zinc/96/28/07/913962807.db2.gz CGWRFXJIRNQMIE-UHFFFAOYSA-N 0 0 395.394 3.708 20 10 GHCDRN CC(=O)Nc1ccc(O)c(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)c1 ZINC001170858843 895454217 /nfs/dbraw/zinc/45/42/17/895454217.db2.gz SAYMSJDYNSMKNJ-UHFFFAOYSA-N 0 0 377.444 3.688 20 10 GHCDRN C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000023744324 895530736 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/nfs/dbraw/zinc/11/35/70/896113570.db2.gz NISCTXNINRVNPQ-CQSZACIVSA-N 0 0 380.395 3.979 20 10 GHCDRN COC(=O)c1cnc([C@H](C)N[C@@H](C)c2ccc(Br)cc2O)s1 ZINC000818357708 896143758 /nfs/dbraw/zinc/14/37/58/896143758.db2.gz IITKZBSOCBYECV-IUCAKERBSA-N 0 0 385.283 3.810 20 10 GHCDRN C[C@@H](Nc1ccc(COCCO)cc1)c1cc(Br)c(F)cc1O ZINC000818362346 896147452 /nfs/dbraw/zinc/14/74/52/896147452.db2.gz VCEBHRBQAPKNKS-LLVKDONJSA-N 0 0 384.245 3.976 20 10 GHCDRN Cc1cc(CC(=O)NCCc2nccnc2C)c(C)n1-c1ccc(Cl)cc1 ZINC000818540489 896196010 /nfs/dbraw/zinc/19/60/10/896196010.db2.gz RKMKHJKUCPBLCC-UHFFFAOYSA-N 0 0 382.895 3.747 20 10 GHCDRN Cc1sc2nc(C)nc(SCC(=O)NCCc3ccc(N)cc3)c2c1C ZINC000818545079 896200482 /nfs/dbraw/zinc/20/04/82/896200482.db2.gz FRTDLJUPWINUFA-UHFFFAOYSA-N 0 0 386.546 3.650 20 10 GHCDRN COc1ccc(-c2cn(Cc3ccc(N4CCC(OC)CC4)cc3)nn2)cc1 ZINC000881378789 896313774 /nfs/dbraw/zinc/31/37/74/896313774.db2.gz IWLCRWHGZOSCFI-UHFFFAOYSA-N 0 0 378.476 3.617 20 10 GHCDRN 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O[C@@H](CNc1ccccc1OC[C@@H]1CCCCO1)COCc1cccs1 ZINC000819428262 896729266 /nfs/dbraw/zinc/72/92/66/896729266.db2.gz YEXDMNCSHVZSTC-IRXDYDNUSA-N 0 0 377.506 3.686 20 10 GHCDRN COc1ccccc1OC[C@@H](C)CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000129621491 896776297 /nfs/dbraw/zinc/77/62/97/896776297.db2.gz CGLOAJKQNLUTNS-SFHVURJKSA-N 0 0 395.503 3.586 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)C(C)(C)Oc3ccc(F)cc3)C2)cc1 ZINC000819580334 896821084 /nfs/dbraw/zinc/82/10/84/896821084.db2.gz HVNJAWXHDJDYSR-MRXNPFEDSA-N 0 0 386.467 3.634 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3ccccc3C(F)(F)F)C2)cc1 ZINC000819580129 896822256 /nfs/dbraw/zinc/82/22/56/896822256.db2.gz FZPHJNWMIKPKHM-CQSZACIVSA-N 0 0 378.394 3.970 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)CCn3ccc4ccccc43)C2)cc1 ZINC000819581216 896823714 /nfs/dbraw/zinc/82/37/14/896823714.db2.gz VSCCAAWXYUNFHM-SFHVURJKSA-N 0 0 377.488 3.683 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)COc3ccc(Cl)c(C)c3)C2)cc1 ZINC000819580689 896825259 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CCN(CC)c1ccc(CN(C)CC(=O)N[C@H](C)c2ccccc2OC)cc1 ZINC000759643409 930435504 /nfs/dbraw/zinc/43/55/04/930435504.db2.gz MVVCNSSJUNELFC-GOSISDBHSA-N 0 0 383.536 3.851 20 10 GHCDRN O=C(NCCc1cccc([N+](=O)[O-])c1)N(Cc1ccco1)Cc1ccccc1O ZINC000759680298 930449902 /nfs/dbraw/zinc/44/99/02/930449902.db2.gz BGMHBWRMADCZCG-UHFFFAOYSA-N 0 0 395.415 3.848 20 10 GHCDRN O=C(Nc1cccc(N2CCOCC2)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000780416827 930511760 /nfs/dbraw/zinc/51/17/60/930511760.db2.gz RVBJDZLWCIJVAZ-UHFFFAOYSA-N 0 0 399.450 3.770 20 10 GHCDRN C[C@H](NC(=O)NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000780623028 930562097 /nfs/dbraw/zinc/56/20/97/930562097.db2.gz YZCXPKXTXKWLKF-JCKWVBRZSA-N 0 0 387.446 3.596 20 10 GHCDRN CC(=O)N[C@H]1Cc2ccccc2N(Cc2cc(Br)cc(C)c2O)C1 ZINC000780778667 930596611 /nfs/dbraw/zinc/59/66/11/930596611.db2.gz NKZWQQQAFKNCOE-KRWDZBQOSA-N 0 0 389.293 3.531 20 10 GHCDRN Cc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)c(O)c1O ZINC000780896020 930631179 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GHCDRN Cc1cc(C(=O)N2CC(C(C)(C)O)C2)c(C)n1-c1ccc(Br)cc1 ZINC000781872869 931005670 /nfs/dbraw/zinc/00/56/70/931005670.db2.gz SYUJJEMAOKTTOE-UHFFFAOYSA-N 0 0 391.309 3.700 20 10 GHCDRN Cc1cc(Cl)cc(CN2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c1O ZINC000781920477 931029052 /nfs/dbraw/zinc/02/90/52/931029052.db2.gz KKDDGHQRANCPCO-GOSISDBHSA-N 0 0 394.924 3.760 20 10 GHCDRN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(OCc2ccccc2)cc1 ZINC000781962674 931044312 /nfs/dbraw/zinc/04/43/12/931044312.db2.gz BZTAGOOHHXKNOU-UHFFFAOYSA-N 0 0 391.427 3.909 20 10 GHCDRN COc1cc(N(C)Cc2c(Cl)n(C)nc2C(F)(F)F)cc(OC)c1OC ZINC000782161058 931105427 /nfs/dbraw/zinc/10/54/27/931105427.db2.gz YTTCNIHCPKKIMP-UHFFFAOYSA-N 0 0 393.793 3.755 20 10 GHCDRN COc1cc(Br)ccc1CCC(=O)NCc1ccc(N(C)C)cc1 ZINC000782206102 931122239 /nfs/dbraw/zinc/12/22/39/931122239.db2.gz VDBMZZGALNTNMF-UHFFFAOYSA-N 0 0 391.309 3.773 20 10 GHCDRN Cc1cscc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000782425222 931213955 /nfs/dbraw/zinc/21/39/55/931213955.db2.gz 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GHCDRN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000798393812 932627409 /nfs/dbraw/zinc/62/74/09/932627409.db2.gz ZJOLGMQHRPKXAF-SAIGTISXSA-N 0 0 385.552 3.540 20 10 GHCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cccc(C4CCC4)c3)cc2)C1 ZINC000798403898 932632892 /nfs/dbraw/zinc/63/28/92/932632892.db2.gz LKVDPBZDRVLAHZ-OAQYLSRUSA-N 0 0 391.515 3.586 20 10 GHCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnc2cnccc2c1 ZINC000798453037 932654286 /nfs/dbraw/zinc/65/42/86/932654286.db2.gz SEDAIHYYIJWPKP-INIZCTEOSA-N 0 0 398.413 3.630 20 10 GHCDRN CN(C)c1ccc(CNc2ccc3c(c2)OCC(=O)N3C)c(C(F)(F)F)c1 ZINC000798503369 932678097 /nfs/dbraw/zinc/67/80/97/932678097.db2.gz ISXLWHTXRZPPHW-UHFFFAOYSA-N 0 0 379.382 3.739 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@H]([C@]2(C)COC(=O)N2)C1 ZINC000928026162 932769347 /nfs/dbraw/zinc/76/93/47/932769347.db2.gz HYWSZFBFNNKDOF-YWZLYKJASA-N 0 0 387.505 3.506 20 10 GHCDRN CC[C@H](Nc1cnc(N2CCOCC2)c(Br)c1)c1ccccc1O ZINC000798941145 932827252 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CN(C)c1ccc(CN(C(=O)C[C@H]2CC(=O)Nc3ccccc32)C2CC2)cc1 ZINC000929936337 933717121 /nfs/dbraw/zinc/71/71/21/933717121.db2.gz VOBCMKWHUWYKOQ-QGZVFWFLSA-N 0 0 377.488 3.760 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc(C(F)F)ncn2)cc1 ZINC000929949578 933725763 /nfs/dbraw/zinc/72/57/63/933725763.db2.gz AFHPJKLZEUMMCP-UHFFFAOYSA-N 0 0 386.402 3.916 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)c1 ZINC001116887368 933811562 /nfs/dbraw/zinc/81/15/62/933811562.db2.gz REWMOVYSCMVCFC-KKSFZXQISA-N 0 0 388.895 3.768 20 10 GHCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2cc(C)ccc2s1 ZINC001117710362 933991292 /nfs/dbraw/zinc/99/12/92/933991292.db2.gz VVCYDJRXLJVWKR-HNNXBMFYSA-N 0 0 399.468 3.525 20 10 GHCDRN Cc1cc(C)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1Br ZINC001117801270 934032237 /nfs/dbraw/zinc/03/22/37/934032237.db2.gz JHVNLQZUCPTCOO-LBPRGKRZSA-N 0 0 378.266 3.838 20 10 GHCDRN CN(C(=O)c1ccnc2c1CCN2C(=O)OC(C)(C)C)c1ccc(F)c(F)c1 ZINC000930540829 934089007 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/nfs/dbraw/zinc/77/34/94/1020773494.db2.gz JNMQMOWWINZJAI-UHFFFAOYSA-N 0 0 377.492 3.794 20 10 GHCDRN Cn1c2ccccc2nc1[C@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779501157 1020836418 /nfs/dbraw/zinc/83/64/18/1020836418.db2.gz WDTIHLYPRYROQI-NCUBBLFSSA-N 0 0 377.444 3.752 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1(c2ccccc2)CCCC1 ZINC000194085581 1020961204 /nfs/dbraw/zinc/96/12/04/1020961204.db2.gz OCLHFCNOGHDGOE-UHFFFAOYSA-N 0 0 382.479 3.791 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O[C@@H]2COC(=O)C2)c1 ZINC001228517924 1032967585 /nfs/dbraw/zinc/96/75/85/1032967585.db2.gz AGLLRSPYNLZWAU-CPUCHLNUSA-N 0 0 386.444 3.555 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O[C@H]2CCOC2=O)c1)[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001228524438 1032970386 /nfs/dbraw/zinc/97/03/86/1032970386.db2.gz YZVCEYISVCIYOS-MNVSYLFESA-N 0 0 386.444 3.555 20 10 GHCDRN Cc1cc(CC(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)c(C)n1-c1ccccc1 ZINC000834642093 1021338995 /nfs/dbraw/zinc/33/89/95/1021338995.db2.gz OTQCHWRXGHTQEP-LJQANCHMSA-N 0 0 390.409 3.790 20 10 GHCDRN Cn1ccnc1[C@H](Cc1ccccc1)NCc1c(O)cccc1Br ZINC001203024492 1021396253 /nfs/dbraw/zinc/39/62/53/1021396253.db2.gz BGYFABMJHVTCBJ-KRWDZBQOSA-N 0 0 386.293 3.962 20 10 GHCDRN CCOC[C@@H]1CN(Cc2c(O)cccc2Cl)Cc2ncn(CC3CC3)c21 ZINC001140338349 1021445497 /nfs/dbraw/zinc/44/54/97/1021445497.db2.gz GKVCNTRAISCLHI-HNNXBMFYSA-N 0 0 375.900 3.788 20 10 GHCDRN Oc1cccc(Cl)c1CN1CCO[C@@H]2[C@H](COCc3cccnc3)CC[C@@H]21 ZINC001140344457 1021458606 /nfs/dbraw/zinc/45/86/06/1021458606.db2.gz KHSZIFPKPAJQGB-NBHGPNQESA-N 0 0 388.895 3.637 20 10 GHCDRN CCn1c(-c2ccccc2C)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000802007773 1021464242 /nfs/dbraw/zinc/46/42/42/1021464242.db2.gz QAMZRMJDTSUSTD-UHFFFAOYSA-N 0 0 395.482 3.748 20 10 GHCDRN Cc1cc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)c(C)n1-c1cccc(C)c1 ZINC000802247896 1021484247 /nfs/dbraw/zinc/48/42/47/1021484247.db2.gz ZFTVDHCMBQPNJL-KNQAVFIVSA-N 0 0 396.531 3.700 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1)c1cc(Br)c(F)cc1[O-] ZINC000834896673 1021640486 /nfs/dbraw/zinc/64/04/86/1021640486.db2.gz MLRYDPKKLMXHOC-WVQJBOLRSA-N 0 0 398.276 3.598 20 10 GHCDRN CC[C@@H](Nc1ccc(O[C@@H]2CC(=O)N2)cc1)c1cc(Br)ccc1O ZINC000834900279 1021648453 /nfs/dbraw/zinc/64/84/53/1021648453.db2.gz XFZHZVIHWVLSRS-CRAIPNDOSA-N 0 0 391.265 3.943 20 10 GHCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)c1cccn2c1nnc2C1CC1 ZINC001156361329 1033001067 /nfs/dbraw/zinc/00/10/67/1033001067.db2.gz UCUILGHJFXPRDK-DWEWWBCWSA-N 0 0 398.430 3.574 20 10 GHCDRN CCCC[C@@H](CCC)NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000748960656 1021737390 /nfs/dbraw/zinc/73/73/90/1021737390.db2.gz PXRRZNZWIFGDPW-RTBURBONSA-N 0 0 388.556 3.546 20 10 GHCDRN O=C(CCCN1CCN(Cc2ccc(Cl)cc2O)CC1)c1ccc(F)cc1 ZINC001140468292 1021766053 /nfs/dbraw/zinc/76/60/53/1021766053.db2.gz FBASMBDKEJHOCR-UHFFFAOYSA-N 0 0 390.886 3.965 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccsc3Br)CC2)cc1F ZINC000826777922 1021782902 /nfs/dbraw/zinc/78/29/02/1021782902.db2.gz MAUOFXFFQHLSCP-UHFFFAOYSA-N 0 0 399.285 3.621 20 10 GHCDRN CN(C)c1ccc(/C=C/CNc2ccc(C(N)=O)c(N3CCCCC3)c2)cc1 ZINC000835051629 1021816560 /nfs/dbraw/zinc/81/65/60/1021816560.db2.gz LHKVXRVNRVXQCK-VOTSOKGWSA-N 0 0 378.520 3.967 20 10 GHCDRN O=C1N(CC2CC2)c2ccccc2C12CC[NH+](Cc1c([O-])cc(F)cc1F)CC2 ZINC001140580882 1022000871 /nfs/dbraw/zinc/00/08/71/1022000871.db2.gz LGIBOEPBDFLZFT-UHFFFAOYSA-N 0 0 398.453 3.961 20 10 GHCDRN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1c([O-])cc(F)cc1F)C2 ZINC001140582661 1022004028 /nfs/dbraw/zinc/00/40/28/1022004028.db2.gz MCGUEJXOEXEXGK-FQEVSTJZSA-N 0 0 382.451 3.893 20 10 GHCDRN CN(c1ccc(CNC(=O)c2ccc(-n3cnnc3)cc2)cc1)C1CCCCC1 ZINC000725891689 1022390801 /nfs/dbraw/zinc/39/08/01/1022390801.db2.gz LPNAYAMLJSVJCJ-UHFFFAOYSA-N 0 0 389.503 3.966 20 10 GHCDRN Cc1c(O)ccc(CN2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1O ZINC001140748174 1022421788 /nfs/dbraw/zinc/42/17/88/1022421788.db2.gz TWQFGFIEXUPRCT-UHFFFAOYSA-N 0 0 395.286 3.671 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)c2scnc2Br)C2CC2)cc1 ZINC000754072147 1022463548 /nfs/dbraw/zinc/46/35/48/1022463548.db2.gz VNCJLJDJHLRRNR-UHFFFAOYSA-N 0 0 380.311 3.776 20 10 GHCDRN C[C@H](NC(=O)N1C[C@H](C)C[C@H]1c1cccnc1)c1ccc(N2CCOCC2)cc1 ZINC000754162609 1022514510 /nfs/dbraw/zinc/51/45/10/1022514510.db2.gz GINIUIOAFOTYNL-FGSXEWAUSA-N 0 0 394.519 3.772 20 10 GHCDRN CC(C)(O)C(C)(C)CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000836012387 1022547628 /nfs/dbraw/zinc/54/76/28/1022547628.db2.gz ZRZOUPCKCXUOSG-UHFFFAOYSA-N 0 0 382.464 3.954 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1F ZINC000754290216 1022586587 /nfs/dbraw/zinc/58/65/87/1022586587.db2.gz HXBVMNFOWIXNHC-PXNSSMCTSA-N 0 0 389.446 3.750 20 10 GHCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CC[C@@H](CCCO)C1 ZINC000836092886 1022630934 /nfs/dbraw/zinc/63/09/34/1022630934.db2.gz BKGSWZYNXDWGBM-MRXNPFEDSA-N 0 0 380.448 3.662 20 10 GHCDRN CCN(CC)c1ccc(CN2CCc3ncc(Br)cc3C2)c(O)c1 ZINC001140855425 1022710184 /nfs/dbraw/zinc/71/01/84/1022710184.db2.gz YMROYVINEGEVLO-UHFFFAOYSA-N 0 0 390.325 3.954 20 10 GHCDRN CCN(CC)c1ccc(CN2Cc3cc(Br)cnc3C2)c(O)c1 ZINC001140855627 1022711022 /nfs/dbraw/zinc/71/10/22/1022711022.db2.gz GHTQKPRFMAYWFL-UHFFFAOYSA-N 0 0 376.298 3.912 20 10 GHCDRN O=C(CSC[C@H]1CCCCO1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000754549460 1022764179 /nfs/dbraw/zinc/76/41/79/1022764179.db2.gz DCWRACHEJDZWJY-OAHLLOKOSA-N 0 0 395.480 3.703 20 10 GHCDRN CN(C)c1ccc(CNC(=O)Nc2ccc3c(c2)CN(CC(F)(F)F)C3)cc1 ZINC000836251042 1022770946 /nfs/dbraw/zinc/77/09/46/1022770946.db2.gz BBZFTCVMYZKAKQ-UHFFFAOYSA-N 0 0 392.425 3.952 20 10 GHCDRN CC1(C)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@](C)(C(F)(F)F)O1 ZINC000836320474 1022869722 /nfs/dbraw/zinc/86/97/22/1022869722.db2.gz LYQTWBYVABMWFS-LJQANCHMSA-N 0 0 397.441 3.704 20 10 GHCDRN C[C@H]1CC=C(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC000836405885 1022949219 /nfs/dbraw/zinc/94/92/19/1022949219.db2.gz NGYLOIIKIKRGEI-AWEZNQCLSA-N 0 0 382.426 3.905 20 10 GHCDRN C[C@@H](NC(=O)N1Cc2cnn(-c3ccccc3)c2C1)c1ccc(N(C)C)cc1 ZINC000836405714 1022949962 /nfs/dbraw/zinc/94/99/62/1022949962.db2.gz LAIUKYRNNPTGHJ-MRXNPFEDSA-N 0 0 375.476 3.725 20 10 GHCDRN Cc1ccc(CN2Cc3ncn(CC4CC4)c3[C@H](COCC3CC3)C2)c(O)c1 ZINC001140952114 1022979750 /nfs/dbraw/zinc/97/97/50/1022979750.db2.gz FRHFGQYTOYEZJY-FQEVSTJZSA-N 0 0 381.520 3.833 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2cc(C)nc(C)n2)c(C)n1-c1cccc(C)c1 ZINC000755160310 1023102970 /nfs/dbraw/zinc/10/29/70/1023102970.db2.gz WWYUIJKAXHETQP-UHFFFAOYSA-N 0 0 377.444 3.849 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C)n(C)c2ccccc2c1=O ZINC001156571473 1033108766 /nfs/dbraw/zinc/10/87/66/1033108766.db2.gz VWXPCSHISZJZJT-UHFFFAOYSA-N 0 0 377.488 3.575 20 10 GHCDRN COCc1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc(C(=O)OC)c1 ZINC000836640365 1023201824 /nfs/dbraw/zinc/20/18/24/1023201824.db2.gz GRPULVNBXFCZLL-UHFFFAOYSA-N 0 0 397.475 3.542 20 10 GHCDRN O=C(Cc1c(F)cccc1F)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000755358776 1023212755 /nfs/dbraw/zinc/21/27/55/1023212755.db2.gz SJMHQKOUHCXUFO-CYBMUJFWSA-N 0 0 396.384 3.894 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCC[C@@H](C)C1 ZINC000836671669 1023236013 /nfs/dbraw/zinc/23/60/13/1023236013.db2.gz ZKXBIGTWERGWEI-RYRKJORJSA-N 0 0 391.531 3.801 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCC(=O)NC2CCCC2)cc1 ZINC000755456396 1023258443 /nfs/dbraw/zinc/25/84/43/1023258443.db2.gz HALDDPNXEFJRSP-UHFFFAOYSA-N 0 0 397.519 3.713 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](c2nccs2)C(F)(F)F)c1 ZINC000836693476 1023262331 /nfs/dbraw/zinc/26/23/31/1023262331.db2.gz UNDBQQRBZBRDQZ-UFBFGSQYSA-N 0 0 375.372 3.521 20 10 GHCDRN C[C@H](NC(=O)Nc1ccc([C@@H]2CCOC2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000836695932 1023267030 /nfs/dbraw/zinc/26/70/30/1023267030.db2.gz DKAKRZNDIPXEBM-FXAWDEMLSA-N 0 0 395.503 3.910 20 10 GHCDRN Cc1cc(C(=O)N(C)C[C@@H](O)C2CC2)c(C)n1-c1ccc(Br)cc1 ZINC000755517821 1023281215 /nfs/dbraw/zinc/28/12/15/1023281215.db2.gz CEHDENCZKACZCO-GOSISDBHSA-N 0 0 391.309 3.700 20 10 GHCDRN CCOc1cc2c(cc1OCC)CN(Cc1c(O)cc(OC)cc1OC)CC2 ZINC001141030862 1023295565 /nfs/dbraw/zinc/29/55/65/1023295565.db2.gz OCONZIYGKHTTGD-UHFFFAOYSA-N 0 0 387.476 3.765 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCN(c3ncccc3F)C2)c(C)n1-c1ccc(F)cc1 ZINC000755579553 1023300027 /nfs/dbraw/zinc/30/00/27/1023300027.db2.gz WBIIKRKOVMRWRB-KRWDZBQOSA-N 0 0 396.441 3.776 20 10 GHCDRN O=C(c1ccc2c(c1O)CCCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000755581613 1023301052 /nfs/dbraw/zinc/30/10/52/1023301052.db2.gz XLTUCZBBOIGFQK-SFHVURJKSA-N 0 0 381.472 3.798 20 10 GHCDRN Cc1cc(C(=O)COC(=O)CCc2ccncn2)c(C)n1-c1ccc(C)c(C)c1 ZINC000755632657 1023320085 /nfs/dbraw/zinc/32/00/85/1023320085.db2.gz VAXBOPFHKXQIRO-UHFFFAOYSA-N 0 0 391.471 3.860 20 10 GHCDRN COc1cc(OC)c(NC(=S)NCCCN(C)c2ccccc2)cc1F ZINC000755706262 1023342766 /nfs/dbraw/zinc/34/27/66/1023342766.db2.gz AHDUDZGQIGXICA-UHFFFAOYSA-N 0 0 377.485 3.656 20 10 GHCDRN C[C@H](SC1CCOCC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000755863368 1023406720 /nfs/dbraw/zinc/40/67/20/1023406720.db2.gz ZDQVDQQZMVDTMU-ZDUSSCGKSA-N 0 0 395.480 3.701 20 10 GHCDRN COc1ccc2c(c1)CN(C(=O)c1cc(C)n(-c3ccccn3)c1C)CCO2 ZINC000836853116 1023409755 /nfs/dbraw/zinc/40/97/55/1023409755.db2.gz OIHGOHDGYVYLJV-UHFFFAOYSA-N 0 0 377.444 3.533 20 10 GHCDRN CC(=O)c1ccc2c(c1)CCN(C(=O)c1cc(C)n(-c3ccccn3)c1C)CC2 ZINC000756072458 1023510620 /nfs/dbraw/zinc/51/06/20/1023510620.db2.gz UQLHROQIIGDFHT-UHFFFAOYSA-N 0 0 387.483 3.933 20 10 GHCDRN Cc1cc(C(=O)N2CC[S@@](=O)C(C)(C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000836960936 1023518892 /nfs/dbraw/zinc/51/88/92/1023518892.db2.gz GSPBNLXHDFGMOF-AREMUKBSSA-N 0 0 376.497 3.606 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCO[C@@H](c3ccnn3C)C2)c(C)n1-c1ccccc1C ZINC000836976210 1023537121 /nfs/dbraw/zinc/53/71/21/1023537121.db2.gz XDFDSXHZMFLBER-PGRDOPGGSA-N 0 0 392.503 3.786 20 10 GHCDRN O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccc2c(c1)CCC2 ZINC000756335844 1023594419 /nfs/dbraw/zinc/59/44/19/1023594419.db2.gz KFYHWMLAPIKUGT-OAQYLSRUSA-N 0 0 380.488 3.501 20 10 GHCDRN C[C@@H]([NH2+]CC(C)(C)N1CCOCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756370465 1023613231 /nfs/dbraw/zinc/61/32/31/1023613231.db2.gz IXZQCXSQWAMGKO-LLVKDONJSA-N 0 0 391.737 3.570 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCN(CCc3ccccc3)CC2)c1 ZINC000756402030 1023629995 /nfs/dbraw/zinc/62/99/95/1023629995.db2.gz KSGYZDKWZANLMW-QGZVFWFLSA-N 0 0 382.504 3.537 20 10 GHCDRN CCN(CC)[C@@H](C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-])c1ccsc1 ZINC000756408818 1023632430 /nfs/dbraw/zinc/63/24/30/1023632430.db2.gz SKQXSFSROPCDAB-KDOFPFPSSA-N 0 0 376.522 3.974 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCc2ccc(-n3nc(C)cc3C)cc2)c1 ZINC000756413479 1023635636 /nfs/dbraw/zinc/63/56/36/1023635636.db2.gz FUGMUHCBKKKNOW-QGZVFWFLSA-N 0 0 393.487 3.875 20 10 GHCDRN COCCOc1ncccc1C[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756433352 1023647071 /nfs/dbraw/zinc/64/70/71/1023647071.db2.gz XZGBWBWZDQIULE-LLVKDONJSA-N 0 0 399.260 3.565 20 10 GHCDRN CCc1c(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cnn1CCC(C)C ZINC000756444318 1023654531 /nfs/dbraw/zinc/65/45/31/1023654531.db2.gz DZLHKXSMNWJODL-UHFFFAOYSA-N 0 0 398.551 3.899 20 10 GHCDRN C[C@H]([NH2+]CCNC(=O)c1ccccc1F)c1cc(Br)c(F)cc1[O-] ZINC000756456928 1023660730 /nfs/dbraw/zinc/66/07/30/1023660730.db2.gz GMKUWEKXAUXJQO-JTQLQIEISA-N 0 0 399.235 3.514 20 10 GHCDRN C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1cc(Br)c(F)cc1[O-] ZINC000756456674 1023661581 /nfs/dbraw/zinc/66/15/81/1023661581.db2.gz IETFNVDFXHUGIL-JSGCOSHPSA-N 0 0 382.273 3.796 20 10 GHCDRN C[C@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)c1cc(F)cc(F)c1[O-] ZINC000756458102 1023661851 /nfs/dbraw/zinc/66/18/51/1023661851.db2.gz JOIMAGKJKUNNSA-CABCVRRESA-N 0 0 376.447 3.742 20 10 GHCDRN C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1cc(Br)cc(Cl)c1[O-] ZINC000756490545 1023682986 /nfs/dbraw/zinc/68/29/86/1023682986.db2.gz VXABULMHCPRTDC-BDAKNGLRSA-N 0 0 377.710 3.762 20 10 GHCDRN C[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)c1ccc(F)cc1[O-] ZINC000756491211 1023683148 /nfs/dbraw/zinc/68/31/48/1023683148.db2.gz UJWCKLSSWAJNJS-SNVBAGLBSA-N 0 0 382.229 3.916 20 10 GHCDRN CC(C)C[C@@H](O)C[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000756495809 1023684854 /nfs/dbraw/zinc/68/48/54/1023684854.db2.gz BHBCBVMXGOTNIY-MWLCHTKSSA-N 0 0 395.135 3.975 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1cc(F)cc(F)c1[O-] ZINC000756502660 1023686457 /nfs/dbraw/zinc/68/64/57/1023686457.db2.gz KIJQHQWFJSTMBU-RFAUZJTJSA-N 0 0 377.309 3.953 20 10 GHCDRN COCCOCCCC[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756517172 1023693204 /nfs/dbraw/zinc/69/32/04/1023693204.db2.gz NRKMWBQAIMOUFS-LLVKDONJSA-N 0 0 380.710 3.902 20 10 GHCDRN CC(C)N(C)CC[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000756525371 1023698332 /nfs/dbraw/zinc/69/83/32/1023698332.db2.gz OBMTTZKASXGMLY-JTQLQIEISA-N 0 0 394.151 3.908 20 10 GHCDRN C[C@@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1cc(Br)c(F)cc1[O-] ZINC000756529838 1023699962 /nfs/dbraw/zinc/69/99/62/1023699962.db2.gz WATIQXSSTGLTGP-SNVBAGLBSA-N 0 0 391.281 3.811 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756582067 1023720912 /nfs/dbraw/zinc/72/09/12/1023720912.db2.gz FMCAXODUIHTPAH-SDDRHHMPSA-N 0 0 387.293 3.591 20 10 GHCDRN C[C@H]([NH2+]CCCOC[C@H]1CCOC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756604628 1023734672 /nfs/dbraw/zinc/73/46/72/1023734672.db2.gz MXNYBZAJWJZNBB-NWDGAFQWSA-N 0 0 392.721 3.902 20 10 GHCDRN C[C@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756614658 1023739038 /nfs/dbraw/zinc/73/90/38/1023739038.db2.gz UHVVGAMWZOITGB-HNNXBMFYSA-N 0 0 384.480 3.686 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](c2ccc(Cl)cc2)N(C)C)c1 ZINC000756629606 1023745217 /nfs/dbraw/zinc/74/52/17/1023745217.db2.gz QMQKMEOYDNQALO-ACJLOTCBSA-N 0 0 376.884 3.786 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](c2ccc(Cl)cc2)N(C)C)c1 ZINC000756629615 1023745279 /nfs/dbraw/zinc/74/52/79/1023745279.db2.gz QMQKMEOYDNQALO-UGSOOPFHSA-N 0 0 376.884 3.786 20 10 GHCDRN CC(C)Oc1cccc(CN(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000756641974 1023750703 /nfs/dbraw/zinc/75/07/03/1023750703.db2.gz IKCKVCWGOAORBE-UHFFFAOYSA-N 0 0 383.536 3.630 20 10 GHCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(F)(F)c1nccs1 ZINC000756658360 1023757974 /nfs/dbraw/zinc/75/79/74/1023757974.db2.gz LCTQBNVIZPLRGE-UHFFFAOYSA-N 0 0 384.363 3.649 20 10 GHCDRN C[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1cc(Br)c(F)cc1[O-] ZINC000756657634 1023758721 /nfs/dbraw/zinc/75/87/21/1023758721.db2.gz DUJDOSNPCLNPEH-QMMMGPOBSA-N 0 0 396.182 3.903 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cc(Br)ccc2OC)c1 ZINC000756690011 1023774643 /nfs/dbraw/zinc/77/46/43/1023774643.db2.gz XBCNKILOELQSDI-NSHDSACASA-N 0 0 394.265 3.801 20 10 GHCDRN CC(C)[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-])C(=O)N1CCCC1 ZINC000756707557 1023782767 /nfs/dbraw/zinc/78/27/67/1023782767.db2.gz ZGYNVMJYCFYLIB-NHYWBVRUSA-N 0 0 387.293 3.591 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@@H](O)c2c(F)cccc2Cl)c1 ZINC000756732445 1023791455 /nfs/dbraw/zinc/79/14/55/1023791455.db2.gz LXMHVBSQYMHNKI-LDLUMPKVSA-N 0 0 381.831 3.744 20 10 GHCDRN CCOC(=O)COc1ccc(CC[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756734612 1023792837 /nfs/dbraw/zinc/79/28/37/1023792837.db2.gz XLCQZFBYGMBDIT-ZDUSSCGKSA-N 0 0 379.403 3.506 20 10 GHCDRN C[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1cc(Br)c(F)cc1[O-] ZINC000756737767 1023793987 /nfs/dbraw/zinc/79/39/87/1023793987.db2.gz AZFSSDKRCHAKIH-ZQJOYCHOSA-N 0 0 386.286 3.882 20 10 GHCDRN C[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1cc(Br)c(F)cc1[O-] ZINC000756740538 1023794469 /nfs/dbraw/zinc/79/44/69/1023794469.db2.gz ROVSALHJUDVAQK-VXJOIVPMSA-N 0 0 390.199 3.956 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1[O-] ZINC000756757500 1023801616 /nfs/dbraw/zinc/80/16/16/1023801616.db2.gz CFTRUAILGDSJIL-OCCSQVGLSA-N 0 0 387.373 3.932 20 10 GHCDRN C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756756959 1023802462 /nfs/dbraw/zinc/80/24/62/1023802462.db2.gz AWXJQPGKGWVREI-TZMCWYRMSA-N 0 0 398.381 3.821 20 10 GHCDRN C[C@@H]([NH2+]CC(C)(C)CO)c1cc(Br)cc(Br)c1[O-] ZINC000756761698 1023804472 /nfs/dbraw/zinc/80/44/72/1023804472.db2.gz UWBXOECUSYWBDO-MRVPVSSYSA-N 0 0 381.108 3.586 20 10 GHCDRN CC(C)CC1(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000756924795 1023870301 /nfs/dbraw/zinc/87/03/01/1023870301.db2.gz QQHHTFVKXYSFGN-UHFFFAOYSA-N 0 0 377.504 3.678 20 10 GHCDRN CCC(=O)c1cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1F ZINC000756948028 1023880421 /nfs/dbraw/zinc/88/04/21/1023880421.db2.gz SCHKGQGDFWUDHD-OAHLLOKOSA-N 0 0 384.451 3.746 20 10 GHCDRN Cc1cc(C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000756999648 1023903938 /nfs/dbraw/zinc/90/39/38/1023903938.db2.gz MPQUIQVUTBJPAA-VQTJNVASSA-N 0 0 388.895 3.768 20 10 GHCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1CC(C)(C)C ZINC001138055016 1023957074 /nfs/dbraw/zinc/95/70/74/1023957074.db2.gz MBXCILDGVTZOOD-SFHVURJKSA-N 0 0 399.487 3.591 20 10 GHCDRN Cc1cc(CN[C@H](C(=O)OC(C)(C)C)c2ccnn2C)ccc1N1CCCCC1 ZINC000830689267 1024075360 /nfs/dbraw/zinc/07/53/60/1024075360.db2.gz DISZMWNYTKDOMZ-NRFANRHFSA-N 0 0 398.551 3.891 20 10 GHCDRN Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3cccc(F)c3[O-])O2)cs1 ZINC001138127352 1024173115 /nfs/dbraw/zinc/17/31/15/1024173115.db2.gz XTEFOURORSKZOY-BHIYHBOVSA-N 0 0 392.496 3.635 20 10 GHCDRN O=C1N(Cc2cccc(F)c2)CC[C@]12CCC[N@@H+](Cc1cccc(F)c1[O-])C2 ZINC001138126936 1024173362 /nfs/dbraw/zinc/17/33/62/1024173362.db2.gz NHXOSCIUBYNESK-QFIPXVFZSA-N 0 0 386.442 3.685 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@@]2(C)CCO[C@@H]2C2CC2)ccc1C ZINC001138168209 1024287237 /nfs/dbraw/zinc/28/72/37/1024287237.db2.gz AHMHLYUPZJOVAA-GGAORHGYSA-N 0 0 380.488 3.902 20 10 GHCDRN Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(Br)cn2)c(O)c1O ZINC000837267463 1024304501 /nfs/dbraw/zinc/30/45/01/1024304501.db2.gz BPDXXWUFIAARHW-AWEZNQCLSA-N 0 0 377.238 3.541 20 10 GHCDRN COCCOc1ccc(NC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)cn1 ZINC001141257942 1024319146 /nfs/dbraw/zinc/31/91/46/1024319146.db2.gz CRHNLQJMSMGYDF-UHFFFAOYSA-N 0 0 393.443 3.579 20 10 GHCDRN Cc1cc(C(=O)COC(=O)CSC(F)(F)F)c(C)n1-c1ccc(F)cn1 ZINC000837427062 1024449561 /nfs/dbraw/zinc/44/95/61/1024449561.db2.gz NYICSPVSYVZYDF-UHFFFAOYSA-N 0 0 390.358 3.607 20 10 GHCDRN C[C@@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)C1CCC1 ZINC000837440232 1024459863 /nfs/dbraw/zinc/45/98/63/1024459863.db2.gz KMEIMNLDNMEWTC-DNVCBOLYSA-N 0 0 389.540 3.871 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)c1c(Br)nc2n1CCCC2 ZINC000837469036 1024483568 /nfs/dbraw/zinc/48/35/68/1024483568.db2.gz YATBWRVDHMNBIF-UHFFFAOYSA-N 0 0 392.297 3.740 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@H]2CCSC2)c(C)n1-c1ccc(Cl)cn1 ZINC000837579185 1024562949 /nfs/dbraw/zinc/56/29/49/1024562949.db2.gz XXQJEGOQTFSPOR-ZDUSSCGKSA-N 0 0 378.881 3.622 20 10 GHCDRN CO[C@H]1CCN(CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)C[C@@H]1C ZINC000831533935 1024623280 /nfs/dbraw/zinc/62/32/80/1024623280.db2.gz LVVZXCDRTPMUTF-DJJJIMSYSA-N 0 0 375.900 3.682 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cc(Cl)ccc1F ZINC000837703198 1024646250 /nfs/dbraw/zinc/64/62/50/1024646250.db2.gz ABGHWNHFQGDRPF-UHFFFAOYSA-N 0 0 384.785 3.524 20 10 GHCDRN Cc1ccc(C(C)(C)C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000837709956 1024653633 /nfs/dbraw/zinc/65/36/33/1024653633.db2.gz YAHSVKKJQSLJRU-UHFFFAOYSA-N 0 0 388.458 3.704 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001205061254 1033231322 /nfs/dbraw/zinc/23/13/22/1033231322.db2.gz QEYAHTOMHLKQPL-CQSZACIVSA-N 0 0 399.329 3.904 20 10 GHCDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC000831706773 1024768040 /nfs/dbraw/zinc/76/80/40/1024768040.db2.gz LDNLTPHVELQJEN-MAUKXSAKSA-N 0 0 376.460 3.720 20 10 GHCDRN COCCOc1ccc(N2CCN(Cc3ccc(OC)c(Cl)c3)CC2)cc1 ZINC001138476779 1024905756 /nfs/dbraw/zinc/90/57/56/1024905756.db2.gz UEYKZUOOIHLNFN-UHFFFAOYSA-N 0 0 390.911 3.696 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@H](C)c2cncnc2)c(C)n1-c1ccc(C)c(F)c1 ZINC000838383758 1025106083 /nfs/dbraw/zinc/10/60/83/1025106083.db2.gz JVZQZXHEIOQBOB-OAHLLOKOSA-N 0 0 395.434 3.861 20 10 GHCDRN Nc1ccc(CC(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)cc1 ZINC000832002448 1025108975 /nfs/dbraw/zinc/10/89/75/1025108975.db2.gz LRMSTYPXLJLCRV-MRXNPFEDSA-N 0 0 378.303 3.903 20 10 GHCDRN CN(C(=O)NCCCSc1nccs1)[C@H](CO)c1ccc(Cl)cc1 ZINC000838513222 1025185268 /nfs/dbraw/zinc/18/52/68/1025185268.db2.gz GQKZMBTUMBSBHI-CQSZACIVSA-N 0 0 385.942 3.654 20 10 GHCDRN Cc1cc(C(=O)N2CCN(C[C@H](C)O)C[C@H]2C)c(C)n1-c1ccc(C(C)C)cc1 ZINC001138703446 1025229519 /nfs/dbraw/zinc/22/95/19/1025229519.db2.gz VIHPIUYRBYNDNK-MOPGFXCFSA-N 0 0 397.563 3.745 20 10 GHCDRN C[C@@H](NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1)c1cc[nH]c(=O)c1 ZINC000838618407 1025240551 /nfs/dbraw/zinc/24/05/51/1025240551.db2.gz TYFKFMOMBCWVOM-MRXNPFEDSA-N 0 0 394.475 3.919 20 10 GHCDRN C[C@H](NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1)c1cc[nH]c(=O)c1 ZINC000838618406 1025241025 /nfs/dbraw/zinc/24/10/25/1025241025.db2.gz TYFKFMOMBCWVOM-INIZCTEOSA-N 0 0 394.475 3.919 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccnc(C)c1 ZINC000838641882 1025259744 /nfs/dbraw/zinc/25/97/44/1025259744.db2.gz HHNZJLFTMWLUFR-UHFFFAOYSA-N 0 0 378.270 3.590 20 10 GHCDRN Cc1cc(CCNC(=O)NCc2cn3ccccc3n2)c(C)n1-c1ccccc1 ZINC000838687565 1025295141 /nfs/dbraw/zinc/29/51/41/1025295141.db2.gz KHMQLUYNPDEWTB-UHFFFAOYSA-N 0 0 387.487 3.784 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000838688126 1025296713 /nfs/dbraw/zinc/29/67/13/1025296713.db2.gz BEODLTSBWPZUBZ-BXUZGUMPSA-N 0 0 393.285 3.589 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CCC2(CCCC2)CC1 ZINC000838741562 1025339236 /nfs/dbraw/zinc/33/92/36/1025339236.db2.gz MUNWGBWYMJGOLR-UHFFFAOYSA-N 0 0 393.478 3.667 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)N[C@H](C)CCCc3cccnc3)CC2)cc1 ZINC000838750888 1025346259 /nfs/dbraw/zinc/34/62/59/1025346259.db2.gz HTTZPUITEQLDAN-LJQANCHMSA-N 0 0 396.535 3.723 20 10 GHCDRN COCCn1cc(NCc2ccc(N3CCCCC3)c(Br)c2)cn1 ZINC000838886425 1025420964 /nfs/dbraw/zinc/42/09/64/1025420964.db2.gz NEZGZLVOSOZKQF-UHFFFAOYSA-N 0 0 393.329 3.894 20 10 GHCDRN O=C1OCC[C@]12CCCN2Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839019156 1025523313 /nfs/dbraw/zinc/52/33/13/1025523313.db2.gz QIKVVAQWUSKOSN-LJQANCHMSA-N 0 0 393.325 3.721 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CSC(c2ccccc2)=N1 ZINC001162114154 1025613016 /nfs/dbraw/zinc/61/30/16/1025613016.db2.gz KVRPMKNMSABNDT-JXFKEZNVSA-N 0 0 381.545 3.670 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)N(C)Cc2ccc3ccccc3c2)cc1 ZINC000839217617 1025734716 /nfs/dbraw/zinc/73/47/16/1025734716.db2.gz FSWIANUOZYEZHK-UHFFFAOYSA-N 0 0 389.499 3.523 20 10 GHCDRN Fc1cccc(-c2nnc3ccc(NCCCSc4nccs4)nn32)c1 ZINC001162437306 1025748821 /nfs/dbraw/zinc/74/88/21/1025748821.db2.gz JJIHWQVQDZWTNT-UHFFFAOYSA-N 0 0 386.481 3.981 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC000839340376 1025823924 /nfs/dbraw/zinc/82/39/24/1025823924.db2.gz YVVCZCAWOXSVGK-QGZVFWFLSA-N 0 0 398.478 3.676 20 10 GHCDRN C[C@H](SCC(=O)NCc1ccc2cccnc2c1O)c1nc2ccccc2[nH]1 ZINC001162607553 1025826053 /nfs/dbraw/zinc/82/60/53/1025826053.db2.gz UVNNCFMNIIKEFP-ZDUSSCGKSA-N 0 0 392.484 3.927 20 10 GHCDRN COc1cc([N+](=O)[O-])c(N2CCC(C(=O)c3cccs3)CC2)cc1OC ZINC001162701001 1025883790 /nfs/dbraw/zinc/88/37/90/1025883790.db2.gz OIACHDOPXNVUIM-UHFFFAOYSA-N 0 0 376.434 3.773 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC001139128516 1025940472 /nfs/dbraw/zinc/94/04/72/1025940472.db2.gz VPPVOFZDFJUAPA-UHFFFAOYSA-N 0 0 383.419 3.990 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCN(Cc2ccccc2)C[C@@H]1C ZINC001139129430 1025941212 /nfs/dbraw/zinc/94/12/12/1025941212.db2.gz ZKRQRZRWNNKXJC-KRWDZBQOSA-N 0 0 378.472 3.513 20 10 GHCDRN CC[N@H+](Cc1c([O-])ccc2c(C)cc(=O)oc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC001139131556 1025943405 /nfs/dbraw/zinc/94/34/05/1025943405.db2.gz OUVKIKLOGGJWOX-IBGZPJMESA-N 0 0 392.499 3.903 20 10 GHCDRN C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000832795512 1025959304 /nfs/dbraw/zinc/95/93/04/1025959304.db2.gz 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CS[C@H](C(N)=O)c1cccc(C(=O)c2ccccc2)c1NC=CC(C)(C)O ZINC001203219625 1027238637 /nfs/dbraw/zinc/23/86/37/1027238637.db2.gz CPBIYIPUKHNOFA-HYSAVQALSA-N 0 0 384.501 3.504 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Nc1cc(C(F)(F)F)n(C)n1 ZINC001210052807 1027328085 /nfs/dbraw/zinc/32/80/85/1027328085.db2.gz KYKSRVZDSUZDJI-UHFFFAOYSA-N 0 0 381.402 3.703 20 10 GHCDRN CCC(=O)Nc1cccc(CNC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000840249395 1027380771 /nfs/dbraw/zinc/38/07/71/1027380771.db2.gz AJCZYFREPFEDCA-KRWDZBQOSA-N 0 0 396.535 3.840 20 10 GHCDRN O=C(c1ccccc1)N1C[C@H]2C[NH+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]2C1 ZINC001203575054 1027443281 /nfs/dbraw/zinc/44/32/81/1027443281.db2.gz CKAYGQNPTYPVRL-HZPDHXFCSA-N 0 0 391.298 3.903 20 10 GHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001203574993 1027443628 /nfs/dbraw/zinc/44/36/28/1027443628.db2.gz AJNVQKHRFCTYSL-HUUCEWRRSA-N 0 0 378.303 3.658 20 10 GHCDRN COc1ncc(N(c2ccc(N)cc2)S(=O)(=O)c2ccc(C)cc2)cc1C ZINC001210315919 1027445442 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O=S(=O)(NCc1c(O)cccc1F)c1c(Cl)cc(Cl)cc1Cl ZINC001213797483 1028381158 /nfs/dbraw/zinc/38/11/58/1028381158.db2.gz DHVMPYGNNKFSIV-UHFFFAOYSA-N 0 0 384.643 3.970 20 10 GHCDRN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841297154 1028386443 /nfs/dbraw/zinc/38/64/43/1028386443.db2.gz AWIOQEGQVGDCQD-KKSFZXQISA-N 0 0 381.524 3.737 20 10 GHCDRN Nc1ccc(NC(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cc1 ZINC000841300943 1028393228 /nfs/dbraw/zinc/39/32/28/1028393228.db2.gz XOWVSCJLAWQQRZ-AWEZNQCLSA-N 0 0 380.370 3.568 20 10 GHCDRN COc1ccccc1CCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000301747437 1028400860 /nfs/dbraw/zinc/40/08/60/1028400860.db2.gz CSHXJVUQRPAODA-QFIPXVFZSA-N 0 0 396.531 3.902 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CC1(CNC(=O)OC(C)(C)C)CC1 ZINC000841385050 1028544138 /nfs/dbraw/zinc/54/41/38/1028544138.db2.gz NYKPWZKJEZNUHT-UHFFFAOYSA-N 0 0 389.540 3.796 20 10 GHCDRN CC(C)(C)OC(=O)NCC1(CC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000841405533 1028581233 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Cc1cc(CNC(=O)NC[C@H](O)Cc2ccccc2F)c(C)n1-c1ccccc1 ZINC001234335437 1039972910 /nfs/dbraw/zinc/97/29/10/1039972910.db2.gz COQNLEQPHKKLRS-OAQYLSRUSA-N 0 0 395.478 3.636 20 10 GHCDRN Cc1cc(CNC(=O)N[C@@H](CCO)Cc2ccccc2)c(C)n1-c1ccccc1 ZINC001234338646 1039973987 /nfs/dbraw/zinc/97/39/87/1039973987.db2.gz ZUMOPPFGTNNFDQ-QFIPXVFZSA-N 0 0 391.515 3.887 20 10 GHCDRN CC(=O)c1cc(O)c(O)cc1O[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001234474510 1040058630 /nfs/dbraw/zinc/05/86/30/1040058630.db2.gz SRKKESVMJYCVCY-WDNDVIMCSA-N 0 0 377.437 3.610 20 10 GHCDRN COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H]4C[C@H]3CN4C(=O)OC(C)(C)C)c2c1 ZINC001234525778 1040100981 /nfs/dbraw/zinc/10/09/81/1040100981.db2.gz JTMZMYWRCLLLKG-HOTGVXAUSA-N 0 0 384.476 3.748 20 10 GHCDRN O=c1cc2[nH]c(-c3ccccc3)cc(O)c-2c(O[C@H]2COc3cnccc32)c1O ZINC001234682892 1040213227 /nfs/dbraw/zinc/21/32/27/1040213227.db2.gz QNTYVIDGVPIJST-IBGZPJMESA-N 0 0 388.379 3.514 20 10 GHCDRN C[C@H]([NH2+]CCN1C(=O)COc2ccccc21)c1ccc(Cl)c(Cl)c1[O-] ZINC001254729538 1040486467 /nfs/dbraw/zinc/48/64/67/1040486467.db2.gz IWKJMAXSRZYOAI-NSHDSACASA-N 0 0 381.259 3.775 20 10 GHCDRN CC1(C(=O)N2CCCC2)CC[NH+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001235069459 1040560761 /nfs/dbraw/zinc/56/07/61/1040560761.db2.gz TWVRBJZDZKEQNR-UHFFFAOYSA-N 0 0 399.304 3.518 20 10 GHCDRN O=C(NCc1c(O)cccc1F)NCC1(c2ccc(Br)cc2)CC1 ZINC001255033789 1040743784 /nfs/dbraw/zinc/74/37/84/1040743784.db2.gz ADZHLAKZUCFFLV-UHFFFAOYSA-N 0 0 393.256 3.825 20 10 GHCDRN [O-]c1c(Br)cc(F)cc1C[NH+]1CCC(Oc2ccncc2)CC1 ZINC001235293790 1040767139 /nfs/dbraw/zinc/76/71/39/1040767139.db2.gz BZIGBGXAAYLLCR-UHFFFAOYSA-N 0 0 381.245 3.732 20 10 GHCDRN COc1ccc(N2CCN(Cc3ccc(OC)c(OC4CC4)c3)CC2)c(OC)c1 ZINC001462517686 1070320877 /nfs/dbraw/zinc/32/08/77/1070320877.db2.gz IAHGDNGSIRJXES-UHFFFAOYSA-N 0 0 398.503 3.576 20 10 GHCDRN COC(=O)[C@H]1[C@@H](c2ccccc2)OCCN1Cc1ccc(C(C)(C)C)cc1O ZINC001235681779 1041146329 /nfs/dbraw/zinc/14/63/29/1041146329.db2.gz QGOFNGOZDUZTHV-NHCUHLMSSA-N 0 0 383.488 3.805 20 10 GHCDRN COC(=O)[C@H]1[C@H](c2ccccc2)OCCN1Cc1ccc(C(C)(C)C)cc1O ZINC001235681783 1041146487 /nfs/dbraw/zinc/14/64/87/1041146487.db2.gz QGOFNGOZDUZTHV-RTWAWAEBSA-N 0 0 383.488 3.805 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CCC3(CCOCC3)CO2)cc1 ZINC001462531456 1070332773 /nfs/dbraw/zinc/33/27/73/1070332773.db2.gz JATPWGVATDRNSH-NRFANRHFSA-N 0 0 382.504 3.800 20 10 GHCDRN COc1cc(O)c(CN2CC(Oc3ccccc3C(F)(F)F)C2)cc1OC ZINC001236755680 1041874624 /nfs/dbraw/zinc/87/46/24/1041874624.db2.gz HPDOPBQYUCPXSK-UHFFFAOYSA-N 0 0 383.366 3.691 20 10 GHCDRN COc1cc(O)c(CN2CCCC[C@H]2c2noc(C(F)(F)F)n2)cc1OC ZINC001236756707 1041875116 /nfs/dbraw/zinc/87/51/16/1041875116.db2.gz PGETXVKZXGFBLR-NSHDSACASA-N 0 0 387.358 3.538 20 10 GHCDRN COc1cc(CN2CCCc3cc(O)c(O)cc3C2)c(O)cc1Br ZINC001236757406 1041875818 /nfs/dbraw/zinc/87/58/18/1041875818.db2.gz SXCTXCXOFDKJMH-UHFFFAOYSA-N 0 0 394.265 3.523 20 10 GHCDRN Cc1cccc(N2CCN(Cc3cc(O)c(Br)cc3O)CC2)c1C ZINC001236763616 1041878138 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GHCDRN O=C(C[C@H]1[C@H]2C[N@H+](Cc3cc(Cl)c(Cl)cc3[O-])C[C@@H]12)NCc1ccco1 ZINC001236794231 1041899484 /nfs/dbraw/zinc/89/94/84/1041899484.db2.gz UQKBDDGLDQIBRH-QDMKHBRRSA-N 0 0 395.286 3.676 20 10 GHCDRN COc1ccc(C[N@@H+]2CC3CC2(CNC(=O)OC(C)(C)C)C3)c([O-])c1Cl ZINC001236801289 1041904238 /nfs/dbraw/zinc/90/42/38/1041904238.db2.gz FMRXDSUIBUDOOZ-UHFFFAOYSA-N 0 0 382.888 3.543 20 10 GHCDRN COc1ccc(C(=O)N2CCN(Cc3cc(Cl)c(Cl)cc3O)CC2)cc1 ZINC001236805176 1041906626 /nfs/dbraw/zinc/90/66/26/1041906626.db2.gz WJKHCZHOMHMMSY-UHFFFAOYSA-N 0 0 395.286 3.666 20 10 GHCDRN CC[N@H+](Cc1ccc(OC)c(Cl)c1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001236807884 1041908972 /nfs/dbraw/zinc/90/89/72/1041908972.db2.gz VHMZRJBYEMZBAS-CQSZACIVSA-N 0 0 384.904 3.886 20 10 GHCDRN COc1cc(O)c(CN2CCOC[C@@H]2c2csc(C)n2)c(Br)c1 ZINC001237061845 1042016321 /nfs/dbraw/zinc/01/63/21/1042016321.db2.gz LNLXJXCOXHJPFD-OAHLLOKOSA-N 0 0 399.310 3.502 20 10 GHCDRN COc1cc(O)c(CN2CCc3cc(F)c(F)cc3C2)c(Br)c1 ZINC001237067308 1042018391 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CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCCN2Cc1cc(C(F)(F)F)ccc1O ZINC001237135200 1042057726 /nfs/dbraw/zinc/05/77/26/1042057726.db2.gz GSAXKYXDNPZLCD-GJZGRUSLSA-N 0 0 386.414 3.995 20 10 GHCDRN Cn1cc2c(n1)CN(Cc1cc(C(F)(F)F)ccc1O)C[C@H]2COCC1CC1 ZINC001237136815 1042058132 /nfs/dbraw/zinc/05/81/32/1042058132.db2.gz ISJQSPZXUIFQDV-HNNXBMFYSA-N 0 0 395.425 3.671 20 10 GHCDRN CC(C)OCc1ncn2c1CN(Cc1cc(C(F)(F)F)ccc1O)CCC2 ZINC001237139234 1042060408 /nfs/dbraw/zinc/06/04/08/1042060408.db2.gz IUHHJFUUNPBORU-UHFFFAOYSA-N 0 0 383.414 3.938 20 10 GHCDRN Nc1ccc(Cl)nc1CN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001237204222 1042091008 /nfs/dbraw/zinc/09/10/08/1042091008.db2.gz BYSNFRJTKOIZJI-UHFFFAOYSA-N 0 0 386.805 3.538 20 10 GHCDRN Cc1cccc(CN2C[C@@H]3C[N@H+](Cc4cc(Cl)cc(F)c4[O-])C[C@@H]3C2=O)c1 ZINC001237618976 1042284788 /nfs/dbraw/zinc/28/47/88/1042284788.db2.gz LKZSCXGZUBBNRG-WMZOPIPTSA-N 0 0 388.870 3.584 20 10 GHCDRN Cc1ccc(O[C@H]2C[C@@H]3CN(Cc4cc(Cl)cc(F)c4[O-])CC[N@@H+]3C2)cc1 ZINC001237621167 1042288744 /nfs/dbraw/zinc/28/87/44/1042288744.db2.gz WBIMLJUOJYUSFS-MJGOQNOKSA-N 0 0 390.886 3.831 20 10 GHCDRN Cc1cc(O)c(CN2[C@@H](CO)CCC[C@@H]2C(F)(F)F)cc1Br ZINC001237675807 1042316884 /nfs/dbraw/zinc/31/68/84/1042316884.db2.gz BNHWVONSPUAQRU-BXUZGUMPSA-N 0 0 382.220 3.741 20 10 GHCDRN COc1cc(CN2CCCC[C@@H]2c2noc(C(F)(F)F)n2)c(O)c(OC)c1 ZINC001237677202 1042318079 /nfs/dbraw/zinc/31/80/79/1042318079.db2.gz YERKZXQRSMFLFE-GFCCVEGCSA-N 0 0 387.358 3.538 20 10 GHCDRN Cc1cc(O)c(CN2CCC23CN(C(=O)OC(C)(C)C)C3)cc1Br ZINC001237678809 1042321053 /nfs/dbraw/zinc/32/10/53/1042321053.db2.gz CQWJNKPHGMPYCJ-UHFFFAOYSA-N 0 0 397.313 3.658 20 10 GHCDRN Cc1cc(Cl)cc(CN2Cc3cncn3C[C@@H](COc3ccccn3)C2)c1O ZINC001237687608 1042327908 /nfs/dbraw/zinc/32/79/08/1042327908.db2.gz OYVOLSRHYUMSQD-INIZCTEOSA-N 0 0 398.894 3.657 20 10 GHCDRN C[NH+](C)C1CCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])CC1 ZINC001237785016 1042368565 /nfs/dbraw/zinc/36/85/65/1042368565.db2.gz BZEIHJONLUAQTB-UHFFFAOYSA-N 0 0 381.236 3.700 20 10 GHCDRN CC[NH+]1C[C@H]2CN(Cc3cc(Br)cc(C(F)(F)F)c3[O-])C[C@@H]2C1 ZINC001237787574 1042370001 /nfs/dbraw/zinc/37/00/01/1042370001.db2.gz VTIUVVCSBBNVLX-RYUDHWBXSA-N 0 0 393.247 3.557 20 10 GHCDRN C[N@H+](CCc1cccc(F)c1)Cc1cccc(I)c1[O-] ZINC001237789807 1042371273 /nfs/dbraw/zinc/37/12/73/1042371273.db2.gz VKBIHRZQQDXFEM-UHFFFAOYSA-N 0 0 385.220 3.810 20 10 GHCDRN [O-]c1c(Cl)cc(F)cc1CN1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001237811911 1042381344 /nfs/dbraw/zinc/38/13/44/1042381344.db2.gz CXFZKKCKXAKUIW-QFBILLFUSA-N 0 0 382.907 3.508 20 10 GHCDRN Cn1ccc(CN2CCCC23CC[NH+](Cc2cc(F)cc(Cl)c2[O-])CC3)n1 ZINC001237813582 1042382318 /nfs/dbraw/zinc/38/23/18/1042382318.db2.gz LVKYDWYJDYESFE-UHFFFAOYSA-N 0 0 392.906 3.549 20 10 GHCDRN COc1cccc(CN2CCCc3cc(O)c(O)cc3C2)c1Br ZINC001237867340 1042401538 /nfs/dbraw/zinc/40/15/38/1042401538.db2.gz GSMGNFPIGGYWJP-UHFFFAOYSA-N 0 0 378.266 3.817 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cc(F)c(Cl)cc3[O-])C[C@@H]12 ZINC001237941517 1042431025 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Cc1ccc(C)n1-c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cn1 ZINC001240182319 1042903937 /nfs/dbraw/zinc/90/39/37/1042903937.db2.gz SSOGBUJVSJHOAS-UHFFFAOYSA-N 0 0 381.501 3.941 20 10 GHCDRN CCOC(=O)[C@H](C(=O)OC(C)(C)C)c1ncc(-c2ccc3ccn(C)c3c2)cn1 ZINC001240576210 1042942196 /nfs/dbraw/zinc/94/21/96/1042942196.db2.gz FPISRWXBTXWPNX-GOSISDBHSA-N 0 0 395.459 3.624 20 10 GHCDRN Cc1cc(CC(=O)N2CC[S@](=O)[C@@H](C)[C@H]2C)c(C)n1-c1ccc(Cl)cc1 ZINC000736528006 1043131736 /nfs/dbraw/zinc/13/17/36/1043131736.db2.gz KWRDFRNLAHKYOD-NSSJMGKWSA-N 0 0 392.952 3.658 20 10 GHCDRN O=C(CCCC(=O)c1ccccc1)NCc1ccc(N2CCSCC2)cc1 ZINC001291629830 1043363862 /nfs/dbraw/zinc/36/38/62/1043363862.db2.gz VEWYICKBKVPVBH-UHFFFAOYSA-N 0 0 382.529 3.909 20 10 GHCDRN CCN(CC)c1ccc(/C=C2\N=C(c3ccc(NC(C)=O)cc3)OC2=O)cc1F ZINC000739455031 1043596544 /nfs/dbraw/zinc/59/65/44/1043596544.db2.gz DVTCTTXVNPLTBG-UYRXBGFRSA-N 0 0 395.434 3.975 20 10 GHCDRN Fc1cnc(N2CCC(c3nnc(-c4ccc(-n5cccc5)cc4)o3)CC2)nc1 ZINC001256957366 1043772138 /nfs/dbraw/zinc/77/21/38/1043772138.db2.gz RTIYXPGQQXDNOB-UHFFFAOYSA-N 0 0 390.422 3.840 20 10 GHCDRN COc1ccc(S(C)(=O)=O)cc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256991624 1043790706 /nfs/dbraw/zinc/79/07/06/1043790706.db2.gz ADJZIKHHLCCNPW-UHFFFAOYSA-N 0 0 395.440 3.606 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)C[C@@H](O)C(Cl)(Cl)Cl)cc2)CC1 ZINC001293143703 1044034924 /nfs/dbraw/zinc/03/49/24/1044034924.db2.gz AEJPIHJCRKOSLS-OAHLLOKOSA-N 0 0 393.742 3.660 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)cc1F ZINC001293225339 1044068213 /nfs/dbraw/zinc/06/82/13/1044068213.db2.gz QWPMTYSFCGDACV-FQEVSTJZSA-N 0 0 387.430 3.620 20 10 GHCDRN CC(C)c1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)n(-c2ncccn2)n1 ZINC001293449955 1044186637 /nfs/dbraw/zinc/18/66/37/1044186637.db2.gz GCBDFGPCFAUKKH-UHFFFAOYSA-N 0 0 395.444 3.664 20 10 GHCDRN CC[C@H]1CN(c2nnc(C(C)(C)C)n2CCCSc2nccs2)CCO1 ZINC001293520368 1044225766 /nfs/dbraw/zinc/22/57/66/1044225766.db2.gz WJVPUIWPPGDYSD-AWEZNQCLSA-N 0 0 395.598 3.830 20 10 GHCDRN CCCCN(CC)c1nnc(-c2cnccn2)n1Cc1ccc(N(C)C)cc1C ZINC001294240615 1044543873 /nfs/dbraw/zinc/54/38/73/1044543873.db2.gz UTODJFPAFXVCPC-UHFFFAOYSA-N 0 0 393.539 3.784 20 10 GHCDRN CCN(CC)c1ccc(CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000741678532 1044557973 /nfs/dbraw/zinc/55/79/73/1044557973.db2.gz SYKVUBYCTHIXFP-UHFFFAOYSA-N 0 0 384.480 3.820 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]c1=O ZINC001294680561 1044761289 /nfs/dbraw/zinc/76/12/89/1044761289.db2.gz WTDYTZHIZUCGEC-UHFFFAOYSA-N 0 0 376.334 3.937 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC(=O)N(c2ccc(CC)cc2)C1 ZINC001294681736 1044761433 /nfs/dbraw/zinc/76/14/33/1044761433.db2.gz WGHPRQRUJRBCFF-LJQANCHMSA-N 0 0 380.488 3.746 20 10 GHCDRN CCCn1cc(C(=O)N(CC)Cc2cc(Br)ccc2O)c(C)n1 ZINC001294684791 1044762735 /nfs/dbraw/zinc/76/27/35/1044762735.db2.gz JCTJFEDXVOGCJH-UHFFFAOYSA-N 0 0 380.286 3.732 20 10 GHCDRN CCOc1ccc([C@@]2(C(=O)NCc3ccccc3O)CC2(Cl)Cl)cc1 ZINC001294925966 1044841939 /nfs/dbraw/zinc/84/19/39/1044841939.db2.gz VYUVUIHYGPFDDM-GOSISDBHSA-N 0 0 380.271 3.923 20 10 GHCDRN CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001295101757 1044916331 /nfs/dbraw/zinc/91/63/31/1044916331.db2.gz RLLFBJXMVXLWOY-UHFFFAOYSA-N 0 0 388.878 3.703 20 10 GHCDRN CCN(CC)c1ccc(Cn2c(C)nnc2N2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC001295411130 1045003984 /nfs/dbraw/zinc/00/39/84/1045003984.db2.gz PUKKKVPBUNQBOV-NHCUHLMSSA-N 0 0 383.540 3.629 20 10 GHCDRN O=C(NCc1ccc(O)cc1O)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC001299574537 1045085355 /nfs/dbraw/zinc/08/53/55/1045085355.db2.gz RPNXGHOWUDHCAL-UHFFFAOYSA-N 0 0 376.840 3.788 20 10 GHCDRN Cc1cc(CC(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)c(C)n1-c1ccccc1 ZINC001296377497 1045305590 /nfs/dbraw/zinc/30/55/90/1045305590.db2.gz LJMPQEUNOPBJJI-HNNXBMFYSA-N 0 0 385.508 3.666 20 10 GHCDRN CC(C)CS(=O)(=O)[N-]c1cccc2c1C(=O)c1cccc(Cl)c1C2=O ZINC001259886845 1045328185 /nfs/dbraw/zinc/32/81/85/1045328185.db2.gz ZHGJGUWTKNJHTB-UHFFFAOYSA-N 0 0 377.849 3.513 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc(F)c(F)cc1Cl ZINC001260283645 1045442161 /nfs/dbraw/zinc/44/21/61/1045442161.db2.gz CONPWYXWJZWOSZ-UHFFFAOYSA-N 0 0 388.867 3.895 20 10 GHCDRN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCCc2cc(O)c(O)cc2C1 ZINC001260312229 1045454067 /nfs/dbraw/zinc/45/40/67/1045454067.db2.gz BBQNMAMJVFIPJG-UHFFFAOYSA-N 0 0 388.272 3.542 20 10 GHCDRN Cc1cc([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)c(C)cc1O ZINC001260329653 1045463631 /nfs/dbraw/zinc/46/36/31/1045463631.db2.gz OYOCSNXIKAJVSM-UHFFFAOYSA-N 0 0 392.221 3.851 20 10 GHCDRN CCOCc1nnc(N2CCCC(C)(C)C2)n1Cc1ccc(N(C)C)cc1C ZINC001297209249 1045477708 /nfs/dbraw/zinc/47/77/08/1045477708.db2.gz SIAJLARVIMWJQP-UHFFFAOYSA-N 0 0 385.556 3.864 20 10 GHCDRN Cc1c(NC(=O)c2cc3cc(O)c(O)cc3s2)cccc1NC(=O)N(C)C ZINC001297300503 1045493596 /nfs/dbraw/zinc/49/35/96/1045493596.db2.gz IVASWHLOYPUSQK-UHFFFAOYSA-N 0 0 385.445 3.967 20 10 GHCDRN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(N2CCCCC2)c2ncccc12 ZINC001297475083 1045535079 /nfs/dbraw/zinc/53/50/79/1045535079.db2.gz RYEDMTVBGBRPPF-UHFFFAOYSA-N 0 0 377.444 3.818 20 10 GHCDRN CN(C)c1ccc(Cn2c(-c3cccnc3)nnc2N(C)CCC2CC2)cc1F ZINC001298055548 1045687680 /nfs/dbraw/zinc/68/76/80/1045687680.db2.gz DRMVDWNACQKIQP-UHFFFAOYSA-N 0 0 394.498 3.830 20 10 GHCDRN CN(C)c1ccc(Cn2c(-c3cccnc3)nnc2N2CCCCCC2)cc1F ZINC001298055602 1045688177 /nfs/dbraw/zinc/68/81/77/1045688177.db2.gz GGDMWDUMBRJWTC-UHFFFAOYSA-N 0 0 394.498 3.974 20 10 GHCDRN Cc1cc(C(=O)N2CCN3C[C@@H](F)C[C@H]3C2)c(C)n1-c1ccc(Cl)cc1 ZINC001298330660 1045775450 /nfs/dbraw/zinc/77/54/50/1045775450.db2.gz CBFCSLHIUBMWPM-WMZOPIPTSA-N 0 0 375.875 3.616 20 10 GHCDRN CC(=O)c1cc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)ccc1O ZINC001261019102 1045844443 /nfs/dbraw/zinc/84/44/43/1045844443.db2.gz GJZICOYMFAKPKM-UHFFFAOYSA-N 0 0 377.315 3.554 20 10 GHCDRN CN1CCCc2cc(Cn3c(CC(C)(C)C)nnc3N3CCSCC3)ccc21 ZINC001298886877 1045975259 /nfs/dbraw/zinc/97/52/59/1045975259.db2.gz IHFBYKNVHIKNKS-UHFFFAOYSA-N 0 0 399.608 3.851 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNCc3ccc(S(C)(=O)=O)o3)cc2Cl)C1 ZINC001261367027 1045981687 /nfs/dbraw/zinc/98/16/87/1045981687.db2.gz PFMVWPULROMJMG-CQSZACIVSA-N 0 0 396.940 3.863 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C[C@H]2CCCO2)c2ccnnc2)cc1 ZINC001262103807 1046187815 /nfs/dbraw/zinc/18/78/15/1046187815.db2.gz HNIOUDSCHKDCFU-OAQYLSRUSA-N 0 0 376.460 3.710 20 10 GHCDRN CO[C@@H]1CN(c2nnc(C3CC3)n2CCCSc2nccs2)CC1(C)C ZINC001300818852 1046188659 /nfs/dbraw/zinc/18/86/59/1046188659.db2.gz NHYULCDJBIUCEU-CQSZACIVSA-N 0 0 393.582 3.656 20 10 GHCDRN CC1CCN(c2ccc(CNS(=O)(=O)CC3Cc4ccccc4C3)cc2)CC1 ZINC001463046851 1070755286 /nfs/dbraw/zinc/75/52/86/1070755286.db2.gz FLGKRNGQTAXNBF-UHFFFAOYSA-N 0 0 398.572 3.757 20 10 GHCDRN COc1ccc(CN2CCOC[C@@H]2c2nc3ccccc3s2)c(O)c1OC ZINC001262370696 1046251955 /nfs/dbraw/zinc/25/19/55/1046251955.db2.gz OZOQDVUGWIENLM-OAHLLOKOSA-N 0 0 386.473 3.593 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)c2nn(-c3ccccc3)cc2Br)c1 ZINC001301046533 1046307207 /nfs/dbraw/zinc/30/72/07/1046307207.db2.gz FIRLWQIGRBILLU-UHFFFAOYSA-N 0 0 386.249 3.579 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)c2ccn(-c3cccc(Br)c3)n2)c1 ZINC001301046961 1046307422 /nfs/dbraw/zinc/30/74/22/1046307422.db2.gz OMOIYPPUQVBQKK-UHFFFAOYSA-N 0 0 386.249 3.579 20 10 GHCDRN COC(=O)C(C)(C)n1cc(NC(=O)c2sccc2-n2c(C)ccc2C)cn1 ZINC001301510163 1046572648 /nfs/dbraw/zinc/57/26/48/1046572648.db2.gz SQQVOQGGIABKJN-UHFFFAOYSA-N 0 0 386.477 3.513 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3cc4ccccc4cc3O)CC2)c(OC)c1 ZINC001301999868 1046778797 /nfs/dbraw/zinc/77/87/97/1046778797.db2.gz BIGPYPLEGQAZPP-UHFFFAOYSA-N 0 0 392.455 3.525 20 10 GHCDRN Cc1cc(CNC(=O)c2cnn3c2NC[C@@H](C)C3)c(C)n1-c1cccc(C)c1 ZINC001302262868 1046891118 /nfs/dbraw/zinc/89/11/18/1046891118.db2.gz ROOVINRUDGCKLJ-OAHLLOKOSA-N 0 0 377.492 3.591 20 10 GHCDRN CC(C)c1nnc(N2CCC(F)(F)CC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001302628983 1047013888 /nfs/dbraw/zinc/01/38/88/1047013888.db2.gz RZESMAASKVXRNT-UHFFFAOYSA-N 0 0 381.446 3.890 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc3c4c(cccc42)CC3)c1 ZINC001463166143 1070869367 /nfs/dbraw/zinc/86/93/67/1070869367.db2.gz ARXQLSKRPCIBLI-CYBMUJFWSA-N 0 0 383.469 3.692 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1 ZINC001463166461 1070870560 /nfs/dbraw/zinc/87/05/60/1070870560.db2.gz CIDKJSZUTGXXIY-MRXNPFEDSA-N 0 0 377.506 3.982 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@H](C(=O)N(C)C)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC001263918603 1047186076 /nfs/dbraw/zinc/18/60/76/1047186076.db2.gz LPFCJHJCTLQOMZ-IBGZPJMESA-N 0 0 381.520 3.651 20 10 GHCDRN O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)OC1CCCC1 ZINC001264186091 1047262597 /nfs/dbraw/zinc/26/25/97/1047262597.db2.gz WYVHSSNFSJYYIC-RVDMUPIBSA-N 0 0 379.478 3.903 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@H](CO)Cc2ccoc2)c1 ZINC001303092915 1047277488 /nfs/dbraw/zinc/27/74/88/1047277488.db2.gz IGVJZTUQBKIQRJ-QGZVFWFLSA-N 0 0 386.879 3.922 20 10 GHCDRN COc1ccc(Cl)c(-c2cc(C(=O)NCc3ccc(N(C)C)cc3)on2)c1 ZINC001264261750 1047286263 /nfs/dbraw/zinc/28/62/63/1047286263.db2.gz FXGFSUVUYDIWKW-UHFFFAOYSA-N 0 0 385.851 4.000 20 10 GHCDRN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCc3cccc(O)c3O)c12 ZINC001303192788 1047309266 /nfs/dbraw/zinc/30/92/66/1047309266.db2.gz ADKYKLMBOCTKTO-UHFFFAOYSA-N 0 0 394.475 3.713 20 10 GHCDRN O=C(NCc1cc(O)ccc1O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC001303223555 1047315286 /nfs/dbraw/zinc/31/52/86/1047315286.db2.gz VBBRDEBPBABQOJ-UHFFFAOYSA-N 0 0 385.423 3.881 20 10 GHCDRN Cc1cc(CC(=O)N2CCN[C@H](c3ccc(F)cc3)C2)c(C)n1-c1ccccc1 ZINC001303306464 1047352486 /nfs/dbraw/zinc/35/24/86/1047352486.db2.gz IWMDBKYMNFBCAD-QHCPKHFHSA-N 0 0 391.490 3.949 20 10 GHCDRN Cc1cc(CC(=O)N2CCN[C@@H](c3ccc(F)cc3)C2)c(C)n1-c1ccccc1 ZINC001303306463 1047352719 /nfs/dbraw/zinc/35/27/19/1047352719.db2.gz IWMDBKYMNFBCAD-HSZRJFAPSA-N 0 0 391.490 3.949 20 10 GHCDRN COc1cccc2c1OC[C@@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 ZINC001264952579 1047522733 /nfs/dbraw/zinc/52/27/33/1047522733.db2.gz MVKBZZBNKKTFMT-IBGZPJMESA-N 0 0 376.456 3.836 20 10 GHCDRN Cc1cc(C(=O)N2CCC(Cc3ncon3)CC2)c(C)n1-c1ccccc1C ZINC001303861694 1047524050 /nfs/dbraw/zinc/52/40/50/1047524050.db2.gz PRRRLLMIOPOWEF-UHFFFAOYSA-N 0 0 378.476 3.880 20 10 GHCDRN Cc1cc(CN(C)c2nnc(C(C)C)n2Cc2ccc(N(C)C)c(F)c2)no1 ZINC001304197778 1047611218 /nfs/dbraw/zinc/61/12/18/1047611218.db2.gz AILZXTCLWRSKMV-UHFFFAOYSA-N 0 0 386.475 3.588 20 10 GHCDRN Cc1cc(N(C)C)ccc1Cn1c(Cc2cccnc2)nnc1N1CC[C@H](C)C1 ZINC001304240964 1047623982 /nfs/dbraw/zinc/62/39/82/1047623982.db2.gz QUCLHYPGQQDGMA-KRWDZBQOSA-N 0 0 390.535 3.533 20 10 GHCDRN CC(C)(C)OC(=O)Nc1cccc2c1CCN(C(=O)Cc1ccc(O)c(O)c1)C2 ZINC001304459610 1047683866 /nfs/dbraw/zinc/68/38/66/1047683866.db2.gz MJHWKCWZRNONTO-UHFFFAOYSA-N 0 0 398.459 3.572 20 10 GHCDRN Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCCOC2)nnc1N1CC=C(C)CC1 ZINC001304595848 1047726272 /nfs/dbraw/zinc/72/62/72/1047726272.db2.gz YPDODDATKNAGJA-HXUWFJFHSA-N 0 0 395.551 3.751 20 10 GHCDRN Cc1nc(Cc2nnc(N(C)Cc3ccccc3O)n2C[C@H]2C[C@H]2C)cs1 ZINC001304654635 1047741231 /nfs/dbraw/zinc/74/12/31/1047741231.db2.gz NKJOREMLNWHIBP-CZUORRHYSA-N 0 0 383.521 3.632 20 10 GHCDRN Cc1nnc(N(C)Cc2ccccc2O)n1Cc1cc(Br)cs1 ZINC001304794936 1047771130 /nfs/dbraw/zinc/77/11/30/1047771130.db2.gz TVCLZQBLYUJOQC-UHFFFAOYSA-N 0 0 393.310 3.801 20 10 GHCDRN CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)NCc2cccc(Cl)c2O)C1 ZINC001305084050 1047886948 /nfs/dbraw/zinc/88/69/48/1047886948.db2.gz FQMKNHVIEUIKKP-ZDUSSCGKSA-N 0 0 382.888 3.699 20 10 GHCDRN COc1ccc(CN2CC[C@H]3C[N@H+](CCCC(F)(F)F)C[C@H]32)c([O-])c1Cl ZINC001279665373 1047905075 /nfs/dbraw/zinc/90/50/75/1047905075.db2.gz JYXSFYPYWNJTFG-GXTWGEPZSA-N 0 0 392.849 3.903 20 10 GHCDRN COc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2scnc2C)c([O-])c1Cl ZINC001279665658 1047905706 /nfs/dbraw/zinc/90/57/06/1047905706.db2.gz QUCDMWKSKBZQGG-GJZGRUSLSA-N 0 0 393.940 3.668 20 10 GHCDRN C[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc3c(c2)CCCN3C)C[C@H](C)O1 ZINC001305127055 1047910583 /nfs/dbraw/zinc/91/05/83/1047910583.db2.gz IFTQYWJMMSVDGN-IRXDYDNUSA-N 0 0 397.567 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IOKAWMDCBZBNIF-HNAYVOBHSA-N 0 0 392.927 3.635 20 10 GHCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(Oc2cccc(F)c2)nc1 ZINC001322575514 1056759473 /nfs/dbraw/zinc/75/94/73/1056759473.db2.gz OGLNXEWVESQOOO-UHFFFAOYSA-N 0 0 383.379 3.788 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N(C)[C@@H]3CC[C@@H](SC)C3)CC2)cc1 ZINC001323773341 1057011500 /nfs/dbraw/zinc/01/15/00/1057011500.db2.gz UBJUFKZANDAKSZ-IEBWSBKVSA-N 0 0 377.554 3.590 20 10 GHCDRN Cc1oc(C(C)(C)C)cc1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC001355065558 1057038782 /nfs/dbraw/zinc/03/87/82/1057038782.db2.gz QFXJENQXGICOCN-KRWDZBQOSA-N 0 0 397.519 3.517 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CSc1ccc(Br)cc1 ZINC001324121359 1057074648 /nfs/dbraw/zinc/07/46/48/1057074648.db2.gz OMPHNHQSALPFLK-NSHDSACASA-N 0 0 396.306 3.700 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)c3c(Cl)cncc3Cl)CC2)cc1 ZINC001324260749 1057100124 /nfs/dbraw/zinc/10/01/24/1057100124.db2.gz ILQOHYAZCUVLFR-UHFFFAOYSA-N 0 0 380.275 3.750 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3cc(-n4cccc4)ccc3F)CC2)cc1 ZINC001324450126 1057138682 /nfs/dbraw/zinc/13/86/82/1057138682.db2.gz JYMREGRZMXNNSB-UHFFFAOYSA-N 0 0 394.450 3.979 20 10 GHCDRN COc1cc(Br)cc([C@@H](C)[NH2+]CC2(CO)CC3(CCC3)C2)c1O ZINC000848549783 1057171733 /nfs/dbraw/zinc/17/17/33/1057171733.db2.gz UGCNXWRKBCTRQH-GFCCVEGCSA-N 0 0 384.314 3.757 20 10 GHCDRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)NCc2ccc(N(C)C)cc2)CC1=O ZINC001355878647 1057303082 /nfs/dbraw/zinc/30/30/82/1057303082.db2.gz IUOQQPIJTVOACJ-HKUYNNGSSA-N 0 0 393.531 3.935 20 10 GHCDRN Cc1cc2cc(NC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)ccc2n(C)c1=O ZINC001325375906 1057320330 /nfs/dbraw/zinc/32/03/30/1057320330.db2.gz ZVRSXRQORGVFAJ-HNNXBMFYSA-N 0 0 378.476 3.796 20 10 GHCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001325382537 1057321738 /nfs/dbraw/zinc/32/17/38/1057321738.db2.gz SWIHJTWDWPYJNK-OIISXLGYSA-N 0 0 391.508 3.541 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@@]23CCOC3)c(C)n1-c1ccc(Br)cc1 ZINC001325462252 1057330658 /nfs/dbraw/zinc/33/06/58/1057330658.db2.gz OFAVOHHFPBPDSC-IBGZPJMESA-N 0 0 389.293 3.862 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OC[C@H]2CCCS(=O)(=O)C2)c1 ZINC001325725957 1057355958 /nfs/dbraw/zinc/35/59/58/1057355958.db2.gz NGQGWJMVDQUHRR-OAHLLOKOSA-N 0 0 395.908 3.729 20 10 GHCDRN CN(C)S(=O)(=O)c1cc(NCc2ccc(N3CCCC3)cc2)ccc1Cl ZINC001326179745 1057426916 /nfs/dbraw/zinc/42/69/16/1057426916.db2.gz MUTLCRFJUIRVSP-UHFFFAOYSA-N 0 0 393.940 3.803 20 10 GHCDRN CC1CCC(N2C[C@@H](C(=O)N(C)Cc3ccc(N4CCCC4)cc3)CC2=O)CC1 ZINC001356267160 1057453808 /nfs/dbraw/zinc/45/38/08/1057453808.db2.gz MWHVIQCFYLBIOA-JGBTYHIZSA-N 0 0 397.563 3.672 20 10 GHCDRN C[C@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1cc(Br)cc(F)c1[O-] ZINC001337795159 1058266918 /nfs/dbraw/zinc/26/69/18/1058266918.db2.gz BXHXBGBXYJBWTL-RYUDHWBXSA-N 0 0 387.293 3.593 20 10 GHCDRN O=C(Nc1ccc(-c2nc3cc[nH]cc-3n2)cc1)C1=S=C(C(F)(F)F)C=C1 ZINC001440030292 1058394039 /nfs/dbraw/zinc/39/40/39/1058394039.db2.gz VRCOMFMNLBWTMK-UHFFFAOYSA-N 0 0 388.374 3.774 20 10 GHCDRN COC(=O)c1cccc(NC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)c1 ZINC001440584113 1058540271 /nfs/dbraw/zinc/54/02/71/1058540271.db2.gz DAIKTODSPPFISV-UHFFFAOYSA-N 0 0 376.412 3.946 20 10 GHCDRN Nc1ccc(CCNC(=O)N2CCC[C@H]2c2cncc(Br)c2)cc1 ZINC001338627383 1058694969 /nfs/dbraw/zinc/69/49/69/1058694969.db2.gz SPNGHRMQVMKVAB-KRWDZBQOSA-N 0 0 389.297 3.516 20 10 GHCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H]1COC[C@@H]1C1CC1 ZINC001338727879 1058751929 /nfs/dbraw/zinc/75/19/29/1058751929.db2.gz KLYQMBKWKWLHGL-MOPGFXCFSA-N 0 0 378.432 3.582 20 10 GHCDRN COC(=O)N1CCCN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)CC1 ZINC001442872813 1059023322 /nfs/dbraw/zinc/02/33/22/1059023322.db2.gz IVJIVOLAAMRXAY-UHFFFAOYSA-N 0 0 383.492 3.625 20 10 GHCDRN CCn1c(C2SC=CC2=O)nnc1N1CCC(CO)(Cc2ccccc2)CC1 ZINC001339367904 1059147730 /nfs/dbraw/zinc/14/77/30/1059147730.db2.gz UKRJHDPTJIEFAA-UHFFFAOYSA-N 0 0 398.532 3.554 20 10 GHCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cnc(C)n2C)cc1 ZINC001443637110 1059165267 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GHCDRN COc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)[nH]n2)c(OC)c1 ZINC001447969991 1060076060 /nfs/dbraw/zinc/07/60/60/1060076060.db2.gz LQKUKACBVMGDKE-CQSZACIVSA-N 0 0 394.475 3.651 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C ZINC001449124715 1060335969 /nfs/dbraw/zinc/33/59/69/1060335969.db2.gz RRFVGFNNUJOAEM-HNNXBMFYSA-N 0 0 399.528 3.776 20 10 GHCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC001449904059 1060481592 /nfs/dbraw/zinc/48/15/92/1060481592.db2.gz YQSDRSNEJHTBCL-UHFFFAOYSA-N 0 0 377.843 3.867 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@@H]([C@@H](CO)C2CC2)C2CC2)ccc1C ZINC001450030831 1060507564 /nfs/dbraw/zinc/50/75/64/1060507564.db2.gz JZNSTDMJVHRHQU-JTHBVZDNSA-N 0 0 394.515 3.742 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc([C@@H]2CCCC[C@H]2O)n1Cc1ccccc1 ZINC001341350248 1060599648 /nfs/dbraw/zinc/59/96/48/1060599648.db2.gz KVSQRHYFQAGCGH-TZIWHRDSSA-N 0 0 392.503 3.687 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)c3cc(F)c(Cl)cc3F)CC2)cc1 ZINC001341407278 1060651023 /nfs/dbraw/zinc/65/10/23/1060651023.db2.gz QXDNPBBERCGUBS-UHFFFAOYSA-N 0 0 380.822 3.979 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)c3cc(-c4csc(C)n4)c[nH]3)CC2)cc1 ZINC001341406816 1060651060 /nfs/dbraw/zinc/65/10/60/1060651060.db2.gz MVBBXYGOGRBFBP-UHFFFAOYSA-N 0 0 396.516 3.808 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N3CCC(c4cncn4C)CC3)cc2)CC1 ZINC001341424335 1060663550 /nfs/dbraw/zinc/66/35/50/1060663550.db2.gz WUKLWRFWRJYGKK-UHFFFAOYSA-N 0 0 395.551 3.746 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ncc(Br)s1 ZINC001451671678 1060814289 /nfs/dbraw/zinc/81/42/89/1060814289.db2.gz ROQCCYJFIBNJDD-NSHDSACASA-N 0 0 382.327 3.641 20 10 GHCDRN CCCN1C[C@@H](CNC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1=O ZINC001451749004 1060829348 /nfs/dbraw/zinc/82/93/48/1060829348.db2.gz YIRPLNDQWAOJCA-MRXNPFEDSA-N 0 0 387.911 3.736 20 10 GHCDRN Cc1cc(C(=O)NCc2nccc(C)n2)c(C)n1-c1ccccc1Br ZINC001451774891 1060833909 /nfs/dbraw/zinc/83/39/09/1060833909.db2.gz ZJZSVJPROMBAFZ-UHFFFAOYSA-N 0 0 399.292 3.885 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC(C)(C)[C@]1(O)CCCOC1 ZINC001453960471 1061235168 /nfs/dbraw/zinc/23/51/68/1061235168.db2.gz ZAGLPSFZTYALAC-QHCPKHFHSA-N 0 0 384.520 3.700 20 10 GHCDRN Cc1cc(N(C)C)ccc1Cn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001361095290 1061592695 /nfs/dbraw/zinc/59/26/95/1061592695.db2.gz HLKYAGBQKRQNRU-QZTJIDSGSA-N 0 0 390.535 3.855 20 10 GHCDRN Cc1nnc(N(C)C[C@H](C)c2nccs2)n1Cc1ccc(N(C)C)cc1C ZINC001361096240 1061593747 /nfs/dbraw/zinc/59/37/47/1061593747.db2.gz XZWSWDGQBAOOQR-HNNXBMFYSA-N 0 0 384.553 3.706 20 10 GHCDRN Cc1cc(N(C)C)ccc1Cn1c(-c2cccnc2)nnc1N1CCC(F)(F)C1 ZINC001361096233 1061594338 /nfs/dbraw/zinc/59/43/38/1061594338.db2.gz XOBPPDKCZKHKGE-UHFFFAOYSA-N 0 0 398.461 3.608 20 10 GHCDRN Cc1cc(N(C)C)ccc1Cn1c(C2CCC2)nnc1N1CCOC(C)(C)C1 ZINC001361097769 1061597179 /nfs/dbraw/zinc/59/71/79/1061597179.db2.gz ICXWNENAZQCVSK-UHFFFAOYSA-N 0 0 383.540 3.584 20 10 GHCDRN Cc1nnc(Cn2c(CC3CCCC3)nnc2N(C)Cc2ccccc2O)s1 ZINC001492773759 1061912756 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CCC(=O)NC1CCN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)CC1 ZINC001347329172 1062300970 /nfs/dbraw/zinc/30/09/70/1062300970.db2.gz CDRWCEZRPNONHU-UHFFFAOYSA-N 0 0 381.520 3.842 20 10 GHCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(F)cc2)c1[O-] ZINC001347331922 1062303425 /nfs/dbraw/zinc/30/34/25/1062303425.db2.gz AAGYMTSSPOFPDW-RBUKOAKNSA-N 0 0 376.859 3.922 20 10 GHCDRN COC(=O)[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1cccc2ccccc21 ZINC001455839658 1062322232 /nfs/dbraw/zinc/32/22/32/1062322232.db2.gz NIFGFGKPTWGRSW-GOSISDBHSA-N 0 0 390.399 3.646 20 10 GHCDRN COc1ccc(C)c2c1N(C(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)C1)CCC2 ZINC001455941525 1062362924 /nfs/dbraw/zinc/36/29/24/1062362924.db2.gz SCCILXIQIRUQOC-MRXNPFEDSA-N 0 0 386.492 3.896 20 10 GHCDRN O=C(NCc1c(O)cccc1F)c1cc2c(ccc(Br)c2F)[nH]1 ZINC001456029175 1062418974 /nfs/dbraw/zinc/41/89/74/1062418974.db2.gz KJSWIXBOWNNUNP-UHFFFAOYSA-N 0 0 381.176 3.844 20 10 GHCDRN COc1nscc1CN(C)C(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC001456374826 1062645472 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ZINC001458883646 1063955346 /nfs/dbraw/zinc/95/53/46/1063955346.db2.gz XWOVIXFTPWGRFJ-IAGOWNOFSA-N 0 0 384.520 3.850 20 10 GHCDRN COc1ccc(N2CCN(C(=O)[C@@H]3[C@@H](c4ccccc4)C3(C)C)CC2)c(OC)c1 ZINC001438183732 1064000438 /nfs/dbraw/zinc/00/04/38/1064000438.db2.gz DNETXCXWDHKVFV-YADHBBJMSA-N 0 0 394.515 3.792 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(C(=O)N2Cc3cccc(O)c3C2)co1 ZINC001350145150 1064003106 /nfs/dbraw/zinc/00/31/06/1064003106.db2.gz YBVNCWOPYUAOJN-INIZCTEOSA-N 0 0 399.447 3.608 20 10 GHCDRN Cc1cc(C(=O)Cn2nc(-c3ccccn3)ccc2=O)c(C)n1-c1ccc(C)cc1 ZINC001459188758 1064018045 /nfs/dbraw/zinc/01/80/45/1064018045.db2.gz BAOFNBCQRIJFJZ-UHFFFAOYSA-N 0 0 398.466 3.904 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@@H]1NC(=O)c2ccccc21 ZINC001350330549 1064057473 /nfs/dbraw/zinc/05/74/73/1064057473.db2.gz XPPQJSHSNDKUQO-NRFANRHFSA-N 0 0 377.488 3.510 20 10 GHCDRN C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N(C)CC1CCCC1 ZINC001459367607 1064078471 /nfs/dbraw/zinc/07/84/71/1064078471.db2.gz 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CCOc1ccc(N2CCN(Cc3ccc(C(=O)OC)c(Cl)c3)CC2)cc1 ZINC001459799555 1064222897 /nfs/dbraw/zinc/22/28/97/1064222897.db2.gz XNFABNDKOJFVCU-UHFFFAOYSA-N 0 0 388.895 3.848 20 10 GHCDRN COc1cccc(CO[C@H](C)C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c1 ZINC001351162028 1064288731 /nfs/dbraw/zinc/28/87/31/1064288731.db2.gz BSFIMTVJUPKCJM-GOSISDBHSA-N 0 0 382.504 3.859 20 10 GHCDRN Cc1cccc(CO[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC001351696932 1064567350 /nfs/dbraw/zinc/56/73/50/1064567350.db2.gz QDZGVXWDAOMRLR-MOPGFXCFSA-N 0 0 382.504 3.614 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C[C@@H](O)C(Cl)(Cl)Cl)cc1 ZINC001463775190 1064606516 /nfs/dbraw/zinc/60/65/16/1064606516.db2.gz HLEYUWCBIXGMCH-CQSZACIVSA-N 0 0 381.731 3.612 20 10 GHCDRN COC(=O)c1cc(CNC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)oc1C ZINC001464113096 1064831313 /nfs/dbraw/zinc/83/13/13/1064831313.db2.gz UMZLGBPUPZZDPM-UHFFFAOYSA-N 0 0 394.427 3.525 20 10 GHCDRN Cc1cc(CNS(=O)(=O)C[C@@H]2CCCC(C)(C)O2)c(C)n1-c1ccccc1 ZINC001464229492 1064918095 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GHCDRN CCC1(CC)CCN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001167657265 849222408 /nfs/dbraw/zinc/22/24/08/849222408.db2.gz SJUVDDHSTKUERM-UHFFFAOYSA-N 0 0 390.483 3.913 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCc1cc(=O)n2ccsc2n1 ZINC000052179661 849338674 /nfs/dbraw/zinc/33/86/74/849338674.db2.gz MGHUHSOFOQSKOR-UHFFFAOYSA-N 0 0 385.470 3.582 20 10 GHCDRN C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000126507212 849748809 /nfs/dbraw/zinc/74/88/09/849748809.db2.gz TVWPSJSFEINWJP-VPWXQRGCSA-N 0 0 389.515 3.649 20 10 GHCDRN C[C@H](NC(=O)NCC[C@H]1CCC(F)(F)C1)c1ccc(N2CCOCC2)cc1 ZINC000892334398 849754006 /nfs/dbraw/zinc/75/40/06/849754006.db2.gz RBHOGBIWFUSKDJ-JKSUJKDBSA-N 0 0 381.467 3.709 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)Nc3cnc(C(C)(C)C)nc3)CC2)cc1 ZINC000171318719 862065378 /nfs/dbraw/zinc/06/53/78/862065378.db2.gz TVBPHZCSBLMBJC-UHFFFAOYSA-N 0 0 383.496 3.573 20 10 GHCDRN O[C@H]1Cc2ccccc2N(Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000435041894 850006270 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IVCFEAKICZNYIW-IBGZPJMESA-N 0 0 393.418 3.591 20 10 GHCDRN CC(C)(C)Oc1ccc(C(=O)Nc2ccc(NC(=O)C3=S=CC=C3)cc2)nc1 ZINC000550343217 854245790 /nfs/dbraw/zinc/24/57/90/854245790.db2.gz WHHOEBZNVLFTNV-UHFFFAOYSA-N 0 0 395.484 3.727 20 10 GHCDRN COC(=O)Cc1csc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n1 ZINC000056135700 854423699 /nfs/dbraw/zinc/42/36/99/854423699.db2.gz LMCRDJMENKFVGH-UHFFFAOYSA-N 0 0 387.436 3.658 20 10 GHCDRN Cc1ccccc1C1(CNC(=O)NCc2ccc(N(C)C)cc2)CCOCC1 ZINC000056518053 854767840 /nfs/dbraw/zinc/76/78/40/854767840.db2.gz CHYOPVLKBJYQSD-UHFFFAOYSA-N 0 0 381.520 3.609 20 10 GHCDRN C[C@H](Nc1ccc(CC(=O)N2CCOCC2)cc1)c1cc2c(cc1O)CCCC2 ZINC000186261045 854809611 /nfs/dbraw/zinc/80/96/11/854809611.db2.gz XBOZHHXVQQUZQF-KRWDZBQOSA-N 0 0 394.515 3.845 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)Cc1nc(N)c2ccccc2n1 ZINC000157080789 854960854 /nfs/dbraw/zinc/96/08/54/854960854.db2.gz RVNYZKYCQUKSBQ-UHFFFAOYSA-N 0 0 387.281 3.702 20 10 GHCDRN C[C@H]([NH2+]C[C@H](CO)Cc1ccc(Br)cc1)c1ccc(F)cc1[O-] 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/nfs/dbraw/zinc/67/70/08/873677008.db2.gz AHBLVZISWZAVCW-LLVKDONJSA-N 0 0 399.472 3.972 20 10 GHCDRN COc1ccc(O)c(CNC(=O)Nc2c(SC)cnn2-c2ccccc2)c1 ZINC000768994997 873761044 /nfs/dbraw/zinc/76/10/44/873761044.db2.gz WGKKRTFNSKHXAD-UHFFFAOYSA-N 0 0 384.461 3.630 20 10 GHCDRN Cc1cc(CCNC(=O)N(C)CCCn2ccnc2)c(C)n1-c1ccccc1 ZINC000769016455 873778114 /nfs/dbraw/zinc/77/81/14/873778114.db2.gz LFURZBCEOXQYHA-UHFFFAOYSA-N 0 0 379.508 3.565 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCCc2sccc21 ZINC000804382597 882762890 /nfs/dbraw/zinc/76/28/90/882762890.db2.gz HIIATWFCFTUTML-LJQANCHMSA-N 0 0 399.560 3.745 20 10 GHCDRN C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000769191979 873844583 /nfs/dbraw/zinc/84/45/83/873844583.db2.gz NQHRLANTDQTNHB-GASCZTMLSA-N 0 0 386.367 3.689 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCc2cscn2)cc1 ZINC000769196159 873879394 /nfs/dbraw/zinc/87/93/94/873879394.db2.gz YMXMDLOBKXFOHQ-UHFFFAOYSA-N 0 0 384.505 3.757 20 10 GHCDRN Cc1cc(CC(=O)NCCSCCCO)c(C)n1-c1ccc(Cl)cc1 ZINC000769228322 873906493 /nfs/dbraw/zinc/90/64/93/873906493.db2.gz VDMUWZVJIMNRGQ-UHFFFAOYSA-N 0 0 380.941 3.522 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000769239282 873914608 /nfs/dbraw/zinc/91/46/08/873914608.db2.gz USIIQCMOERXPAO-RXVVDRJESA-N 0 0 391.581 3.729 20 10 GHCDRN C[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1cc(Br)c(F)cc1[O-] ZINC000528017203 873918225 /nfs/dbraw/zinc/91/82/25/873918225.db2.gz WVPNXKFWAVKNGX-LLVKDONJSA-N 0 0 387.293 3.593 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2cccc3c2CCN3C(C)=O)cc1 ZINC000769262690 873931592 /nfs/dbraw/zinc/93/15/92/873931592.db2.gz VQYHLNMXGNVKMB-UHFFFAOYSA-N 0 0 380.492 3.764 20 10 GHCDRN CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)NCc2ccccc2O)cc1 ZINC000769364949 874001912 /nfs/dbraw/zinc/00/19/12/874001912.db2.gz LOWYGTLRDRMAIV-GOSISDBHSA-N 0 0 398.528 3.521 20 10 GHCDRN COC(=O)CN(Cc1occc1Br)Cc1cc(Cl)ccc1O ZINC000769382479 874010366 /nfs/dbraw/zinc/01/03/66/874010366.db2.gz 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ZINC000769637688 874182006 /nfs/dbraw/zinc/18/20/06/874182006.db2.gz SSNBXAFOWTZHHF-QGZVFWFLSA-N 0 0 396.896 3.544 20 10 GHCDRN C[C@@H]1CC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C[C@@H]1n1ccnc1 ZINC000121509300 874316491 /nfs/dbraw/zinc/31/64/91/874316491.db2.gz BYASHBCXIJZDND-UZLBHIALSA-N 0 0 391.471 3.608 20 10 GHCDRN COc1ccc(-c2noc(CN[C@H](C)c3ccc(N(C)C)cc3)n2)c(OC)c1 ZINC000775835585 874324085 /nfs/dbraw/zinc/32/40/85/874324085.db2.gz GNOMCQNYKAUPOA-CQSZACIVSA-N 0 0 382.464 3.671 20 10 GHCDRN C[C@@H](NCc1nnc(C(=O)Nc2ccc(F)cc2)s1)c1ccc(N(C)C)cc1 ZINC000775837069 874332968 /nfs/dbraw/zinc/33/29/68/874332968.db2.gz REBGJGBZTHRTRK-CYBMUJFWSA-N 0 0 399.495 3.846 20 10 GHCDRN COc1c(Br)c([N+](=O)[O-])c(N2CC(C)=C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000797439172 874380174 /nfs/dbraw/zinc/38/01/74/874380174.db2.gz YCDUJSMRPDREGO-QMMMGPOBSA-N 0 0 386.202 3.677 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000115854046 882841860 /nfs/dbraw/zinc/84/18/60/882841860.db2.gz TVBRMWQLTCMOJC-KRWDZBQOSA-N 0 0 392.507 3.544 20 10 GHCDRN COc1ccc(N2CCN(Cc3c[nH]nc3-c3ccccc3F)CC2)cc1F ZINC000770308137 874589789 /nfs/dbraw/zinc/58/97/89/874589789.db2.gz ZRCZQMNQOBDGKJ-UHFFFAOYSA-N 0 0 384.430 3.686 20 10 GHCDRN CCOc1ccnc(CNC(=S)Nc2c(F)c(F)c(F)c(F)c2F)c1 ZINC001198938355 874718419 /nfs/dbraw/zinc/71/84/19/874718419.db2.gz NCRXOOOJJCHEPK-UHFFFAOYSA-N 0 0 377.338 3.662 20 10 GHCDRN O=[N+]([O-])c1cc(CNc2ccc(-n3ccnn3)cc2)ccc1N1CCCCC1 ZINC000770550980 874736401 /nfs/dbraw/zinc/73/64/01/874736401.db2.gz SPHCRSBOYKXQKQ-UHFFFAOYSA-N 0 0 378.436 3.778 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2ccn(C(F)F)n2)c(C)n1-c1cccc(F)c1 ZINC000775936857 874818800 /nfs/dbraw/zinc/81/88/00/874818800.db2.gz FQRHCSSSXQXMSE-UHFFFAOYSA-N 0 0 391.349 3.865 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(Br)cc1 ZINC000542058885 874840254 /nfs/dbraw/zinc/84/02/54/874840254.db2.gz XWWVNVYWXPSCJO-UHFFFAOYSA-N 0 0 376.254 3.946 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(F)cc2NC(=O)c2ccoc2)c1 ZINC000104901012 874844637 /nfs/dbraw/zinc/84/46/37/874844637.db2.gz RRBULDCCIULUPR-LBPRGKRZSA-N 0 0 398.390 3.876 20 10 GHCDRN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1sccc1-n1c(C)ccc1C)CC2 ZINC000151569558 874865928 /nfs/dbraw/zinc/86/59/28/874865928.db2.gz CZGKTWUUDSPNLZ-ZWKOTPCHSA-N 0 0 388.533 3.548 20 10 GHCDRN Cc1cc(Br)c(C(=O)NCCc2ccc(O)c(O)c2)cc1Cl ZINC000804461738 882877607 /nfs/dbraw/zinc/87/76/07/882877607.db2.gz RQTHONQJPMMCSI-UHFFFAOYSA-N 0 0 384.657 3.795 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1cn(CC(F)(F)F)cn1 ZINC001199397456 874941585 /nfs/dbraw/zinc/94/15/85/874941585.db2.gz NNBIFHPGFILCRB-MRXNPFEDSA-N 0 0 381.398 3.821 20 10 GHCDRN O=[N+]([O-])c1cc(CN[C@@H](c2nc[nH]n2)c2ccccc2)ccc1N1CCCCC1 ZINC000775970405 874981512 /nfs/dbraw/zinc/98/15/12/874981512.db2.gz FPTNLWKWGXLSAS-HXUWFJFHSA-N 0 0 392.463 3.582 20 10 GHCDRN O=S1(=O)CCCN1c1ccc(NCc2ccc(N3CCCCC3)cc2)cc1 ZINC001199522715 875033102 /nfs/dbraw/zinc/03/31/02/875033102.db2.gz VLCZSCJUEPLXAP-UHFFFAOYSA-N 0 0 385.533 3.829 20 10 GHCDRN CCCC[C@@H](NC(=O)NCC)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000771242206 875117019 /nfs/dbraw/zinc/11/70/19/875117019.db2.gz IJXPEPYBIZIGRB-HXUWFJFHSA-N 0 0 388.556 3.513 20 10 GHCDRN Oc1cccc(Br)c1CNc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000858160331 882897045 /nfs/dbraw/zinc/89/70/45/882897045.db2.gz RCLKFEUEJNEZHH-UHFFFAOYSA-N 0 0 399.292 3.895 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCSC[C@H]1c1nccs1 ZINC000771326001 875189334 /nfs/dbraw/zinc/18/93/34/875189334.db2.gz ZIJMACCSCDZTRR-INIZCTEOSA-N 0 0 376.551 3.517 20 10 GHCDRN Cc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(C)n1[C@H]1CCOC1 ZINC000528883929 875214737 /nfs/dbraw/zinc/21/47/37/875214737.db2.gz WLWFQFRKYDTGAI-VQTJNVASSA-N 0 0 398.503 3.593 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cccc2cc[nH]c21 ZINC000776062596 875293262 /nfs/dbraw/zinc/29/32/62/875293262.db2.gz AHQHMYSXVGFTJB-UHFFFAOYSA-N 0 0 382.439 3.590 20 10 GHCDRN COc1cccc(CNC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)c1O ZINC000105650963 875356221 /nfs/dbraw/zinc/35/62/21/875356221.db2.gz FTBINKBIDFUGQN-LSDHHAIUSA-N 0 0 376.250 3.583 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@]3(C2)OCc2ccccc23)cc1F ZINC000776127931 875408089 /nfs/dbraw/zinc/40/80/89/875408089.db2.gz SXOHNVYSKQSPQL-QFIPXVFZSA-N 0 0 383.467 3.623 20 10 GHCDRN FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1nc2c(s1)CCC2 ZINC000771823411 875497107 /nfs/dbraw/zinc/49/71/07/875497107.db2.gz AEHYTTMDTNGYAQ-UHFFFAOYSA-N 0 0 397.466 3.777 20 10 GHCDRN CCOC(=O)c1ncn2c1cccc2CNC(=S)Nc1ccccc1CC ZINC001201157888 875532024 /nfs/dbraw/zinc/53/20/24/875532024.db2.gz QHGGKZQLHBDYOI-UHFFFAOYSA-N 0 0 382.489 3.560 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N[C@@H]3CCc4c3cccc4OC)CC2)cc1 ZINC000151588327 875633973 /nfs/dbraw/zinc/63/39/73/875633973.db2.gz AWQFGYWKLNNCSW-OAQYLSRUSA-N 0 0 395.503 3.659 20 10 GHCDRN O=C1[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CCCN1c1ccc(OC(F)F)cc1 ZINC000776174516 875691945 /nfs/dbraw/zinc/69/19/45/875691945.db2.gz CWJNLWBTVRXTPT-INIZCTEOSA-N 0 0 396.821 3.932 20 10 GHCDRN Cc1ccc(CCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 ZINC000746527934 875702798 /nfs/dbraw/zinc/70/27/98/875702798.db2.gz YJOBJLJBMCEHMF-HNNXBMFYSA-N 0 0 378.419 3.907 20 10 GHCDRN Cc1cncc(/C=C\C(=O)N(CC(=O)OC(C)(C)C)c2ccc3c(c2)OCO3)c1 ZINC000772148048 875745819 /nfs/dbraw/zinc/74/58/19/875745819.db2.gz BFZQWKOFEMRUDD-YVMONPNESA-N 0 0 396.443 3.507 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccnc(OC2CCCCC2)c1 ZINC000772154974 875752936 /nfs/dbraw/zinc/75/29/36/875752936.db2.gz IHCLXLZWZUQQKX-UHFFFAOYSA-N 0 0 395.503 3.560 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000858242961 882971084 /nfs/dbraw/zinc/97/10/84/882971084.db2.gz XMTICVYCPFUBRJ-HLAWJBBLSA-N 0 0 379.891 3.854 20 10 GHCDRN COc1ccc(CN[C@@H](c2cnn(C)c2)c2ccccc2)cc1Cn1cccn1 ZINC001201970719 875958513 /nfs/dbraw/zinc/95/85/13/875958513.db2.gz JNQFECRGINMSTK-HSZRJFAPSA-N 0 0 387.487 3.553 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000804522038 882984143 /nfs/dbraw/zinc/98/41/43/882984143.db2.gz NFCSBUINPSUVOH-ANPLFTBSSA-N 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GHCDRN COc1ccc(N2CCN(C(=O)Nc3cccc(N(C)C)c3C)CC2)cc1F ZINC000180116272 878523395 /nfs/dbraw/zinc/52/33/95/878523395.db2.gz SPAVOAXJAPMAJA-UHFFFAOYSA-N 0 0 386.471 3.563 20 10 GHCDRN Cc1cc(C(=O)CN2CCc3nccnc3C2)c(C)n1-c1ccc(C)c(F)c1 ZINC000852699430 878535397 /nfs/dbraw/zinc/53/53/97/878535397.db2.gz MKCKICYDKFUVFT-UHFFFAOYSA-N 0 0 378.451 3.573 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CCc3ccccc3-n3ccnc32)cc1F ZINC000852717644 878542950 /nfs/dbraw/zinc/54/29/50/878542950.db2.gz HGPDLHQTUTYJEF-SFHVURJKSA-N 0 0 393.466 3.564 20 10 GHCDRN C[C@H](OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)c1ccccc1Br ZINC000789072304 878584659 /nfs/dbraw/zinc/58/46/59/878584659.db2.gz HJPBJOHHYVGVFX-DVBBHNHCSA-N 0 0 391.217 3.688 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@H](N)c2ccccc2Br)cc1 ZINC000852790364 878604198 /nfs/dbraw/zinc/60/41/98/878604198.db2.gz PZVOJXYAOHQVCQ-GOSISDBHSA-N 0 0 390.325 3.612 20 10 GHCDRN CC(C)[C@@H](NC(=O)NCCCSc1nccs1)[C@@H](O)c1ccccc1 ZINC000789090903 878628828 /nfs/dbraw/zinc/62/88/28/878628828.db2.gz OTNZOLZKIALIJI-CVEARBPZSA-N 0 0 379.551 3.683 20 10 GHCDRN COc1cccc(CNC(=O)c2cccc(NC(=O)C3CCCCC3)c2)c1O ZINC000068489150 878631702 /nfs/dbraw/zinc/63/17/02/878631702.db2.gz LOBWCMWCKMAQFB-UHFFFAOYSA-N 0 0 382.460 3.850 20 10 GHCDRN CCn1c(C)cc(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)c1C ZINC000170878047 878649531 /nfs/dbraw/zinc/64/95/31/878649531.db2.gz MZICMSGMTIYBGE-YBEGLDIGSA-N 0 0 385.514 3.630 20 10 GHCDRN Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3cccc(O)c3O)c2)c1 ZINC000776633079 878656439 /nfs/dbraw/zinc/65/64/39/878656439.db2.gz LRPPUIOWGCJAEB-UHFFFAOYSA-N 0 0 391.427 3.980 20 10 GHCDRN COc1ccccc1OC[C@@H](C)CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000763476270 878669359 /nfs/dbraw/zinc/66/93/59/878669359.db2.gz CKTIXOIJZSZQPW-SFHVURJKSA-N 0 0 397.519 3.810 20 10 GHCDRN CCCN(Cc1ccccc1O)Cc1nc(N)nc(Nc2ccccc2CC)n1 ZINC000110990194 878679044 /nfs/dbraw/zinc/67/90/44/878679044.db2.gz OTUUEZBQVBWHRH-UHFFFAOYSA-N 0 0 392.507 3.878 20 10 GHCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000238088216 878712126 /nfs/dbraw/zinc/71/21/26/878712126.db2.gz SUFOYGCMNOLDIB-CQSZACIVSA-N 0 0 393.390 3.660 20 10 GHCDRN COc1ccc(N2CCC(NC(=S)NCCc3ccc(F)cc3)CC2)cc1 ZINC000789213349 878746224 /nfs/dbraw/zinc/74/62/24/878746224.db2.gz DLQZUPDWQXOEEE-UHFFFAOYSA-N 0 0 387.524 3.510 20 10 GHCDRN CCOC(=O)C(=O)Nc1ccc(N(c2ccc(N)cc2)c2ccc(N)cc2)cc1 ZINC001183250934 912387105 /nfs/dbraw/zinc/38/71/05/912387105.db2.gz FYFRJYWBJUJXIS-UHFFFAOYSA-N 0 0 390.443 3.822 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCCOC2)c(C)n1-c1cccc(Br)c1 ZINC000111136789 878863911 /nfs/dbraw/zinc/86/39/11/878863911.db2.gz ARCJBRNXGQGJHJ-HNNXBMFYSA-N 0 0 377.282 3.765 20 10 GHCDRN CCO[C@@H](C)c1nc(CN2CCN(Cc3ccc(N(C)C)cc3)CC2)cs1 ZINC000093736937 912408644 /nfs/dbraw/zinc/40/86/44/912408644.db2.gz MBDBITIWNAGQPF-KRWDZBQOSA-N 0 0 388.581 3.624 20 10 GHCDRN COC(=O)[C@H](CC(F)(F)F)NCc1ccc(OCc2ccccc2)cc1O ZINC000789578828 879078753 /nfs/dbraw/zinc/07/87/53/879078753.db2.gz BYGLLDQVSZXDDI-INIZCTEOSA-N 0 0 383.366 3.555 20 10 GHCDRN Cc1onc(-c2ccc(F)cc2)c1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000789651275 879143070 /nfs/dbraw/zinc/14/30/70/879143070.db2.gz KJLBNPUZYUWXKS-UHFFFAOYSA-N 0 0 381.407 3.894 20 10 GHCDRN C[NH+](C)Cc1ccc(S(=O)(=O)[N-]c2nc(-c3cccc(F)c3)cs2)cc1 ZINC000789726392 879233495 /nfs/dbraw/zinc/23/34/95/879233495.db2.gz GNPDMQQLMZZNRS-UHFFFAOYSA-N 0 0 391.493 3.812 20 10 GHCDRN CCOc1ccc(-n2c(C)cc(C(=O)COc3c(C)[nH]ccc3=O)c2C)cc1 ZINC000853727275 879245706 /nfs/dbraw/zinc/24/57/06/879245706.db2.gz NKILRZBOJNFOKY-UHFFFAOYSA-N 0 0 380.444 3.751 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000180723208 879253157 /nfs/dbraw/zinc/25/31/57/879253157.db2.gz LJIABQLVIHBOKC-RDTXFTJFSA-N 0 0 375.371 3.906 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCOc1ccccc1-c1ccccc1 ZINC000180710515 879260425 /nfs/dbraw/zinc/26/04/25/879260425.db2.gz MFXNMDKFQDCQAI-ACCUITESSA-N 0 0 375.424 3.973 20 10 GHCDRN COc1cccc2[nH]cc(CC(=O)NCc3ccc(N4CCSCC4)cc3)c21 ZINC000180733389 879280345 /nfs/dbraw/zinc/28/03/45/879280345.db2.gz NNVQTSBYSMIQOC-UHFFFAOYSA-N 0 0 395.528 3.589 20 10 GHCDRN COc1ccccc1[C@H]1CN(Cc2c(O)cccc2Br)CCO1 ZINC001183363893 912439149 /nfs/dbraw/zinc/43/91/49/912439149.db2.gz OIORZCAEMWIMKL-GOSISDBHSA-N 0 0 378.266 3.737 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3nc(-c4ccccc4)ns3)C2)cc1 ZINC000853817597 879305713 /nfs/dbraw/zinc/30/57/13/879305713.db2.gz HMSSFJPPPTVKFJ-OAHLLOKOSA-N 0 0 395.488 3.614 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000789862935 879324008 /nfs/dbraw/zinc/32/40/08/879324008.db2.gz HWEPRWZCMJHAJB-UHFFFAOYSA-N 0 0 386.408 3.540 20 10 GHCDRN Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nnn1CC1CCCC1 ZINC000789899801 879345514 /nfs/dbraw/zinc/34/55/14/879345514.db2.gz RZSGYODNOFHGMY-UHFFFAOYSA-N 0 0 383.540 3.894 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)c3cn(C)nc3-c3ccoc3)cc2)CC1 ZINC000789938778 879356537 /nfs/dbraw/zinc/35/65/37/879356537.db2.gz XGXSNJRIGAAHFO-UHFFFAOYSA-N 0 0 378.476 3.846 20 10 GHCDRN CCc1cncc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000789961236 879367020 /nfs/dbraw/zinc/36/70/20/879367020.db2.gz IQZYDMINWQSLIC-INIZCTEOSA-N 0 0 375.419 3.644 20 10 GHCDRN CC(C)(C)OC(=O)c1ccc(NCc2ccc(N3CCC(O)CC3)cc2)nc1 ZINC000853957383 879401443 /nfs/dbraw/zinc/40/14/43/879401443.db2.gz MRVNTQFJCMZJFH-UHFFFAOYSA-N 0 0 383.492 3.610 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCC(c4c[nH]nc4C)CC3)ccc21 ZINC000375938391 879414624 /nfs/dbraw/zinc/41/46/24/879414624.db2.gz QZIGCTOAARMGKV-UHFFFAOYSA-N 0 0 394.519 3.956 20 10 GHCDRN CC(=O)Nc1ccc(CNC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cn1 ZINC000790081565 879421968 /nfs/dbraw/zinc/42/19/68/879421968.db2.gz CKDOFEHZSVGKAS-UHFFFAOYSA-N 0 0 390.487 3.994 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(-c2nc(CC3(CS(C)(=O)=O)CC3)no2)cc1 ZINC000854096888 879525763 /nfs/dbraw/zinc/52/57/63/879525763.db2.gz VCOIZTISBDRQKM-UHFFFAOYSA-N 0 0 385.489 3.511 20 10 GHCDRN CCc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1C(CC)CC ZINC000790231448 879561340 /nfs/dbraw/zinc/56/13/40/879561340.db2.gz PFTAJVCPGXVJSG-UHFFFAOYSA-N 0 0 398.551 3.915 20 10 GHCDRN Cc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1NC(=O)c1ccco1 ZINC000180966300 879572764 /nfs/dbraw/zinc/57/27/64/879572764.db2.gz PJVKZLOOSVRHMM-WEVVVXLNSA-N 0 0 378.384 3.903 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)c(OC)c3)CC2)cc1 ZINC000854198883 879623272 /nfs/dbraw/zinc/62/32/72/879623272.db2.gz RWMFRNZBEMVAMA-UHFFFAOYSA-N 0 0 394.393 3.685 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N3CCCCC[C@@H]3c3ccncc3)C2)cc1 ZINC000854301049 879704814 /nfs/dbraw/zinc/70/48/14/879704814.db2.gz GYNZJJGLZIQYCF-DENIHFKCSA-N 0 0 394.519 3.996 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N(Cc3ccccc3F)C3CC3)C2)cc1 ZINC000854302263 879705919 /nfs/dbraw/zinc/70/59/19/879705919.db2.gz YLBMILRDTOBCCZ-KRWDZBQOSA-N 0 0 383.467 3.787 20 10 GHCDRN COc1cc(C)nc(/C=C2\SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)c1 ZINC000776726230 879713781 /nfs/dbraw/zinc/71/37/81/879713781.db2.gz HUBHKLCHSDINTO-YVLHZVERSA-N 0 0 399.497 3.763 20 10 GHCDRN C[C@@H](O)[C@](C)(CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)Cc1ccccc1 ZINC000790501860 879775119 /nfs/dbraw/zinc/77/51/19/879775119.db2.gz JBRQYDWJJWWPGN-IXFSTUDKSA-N 0 0 383.536 3.743 20 10 GHCDRN COc1ccc(N2CCN(C/C(C)=C/c3cccc([N+](=O)[O-])c3)CC2)c(OC)c1 ZINC001183418693 912504696 /nfs/dbraw/zinc/50/46/96/912504696.db2.gz CMXPJWHUUDKBNZ-GHRIWEEISA-N 0 0 397.475 3.838 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)c1ncc(C(=O)OCC)cc1Cl ZINC000152898075 879902012 /nfs/dbraw/zinc/90/20/12/879902012.db2.gz KUNFVGDBKWYNCC-UHFFFAOYSA-N 0 0 376.840 3.670 20 10 GHCDRN Cc1cc(CC(=O)N2CC[C@@](CO)(c3ccccc3)C2)c(C)n1-c1ccccc1 ZINC000854576178 879916587 /nfs/dbraw/zinc/91/65/87/879916587.db2.gz ZUTBDVZKRFWDEW-RUZDIDTESA-N 0 0 388.511 3.799 20 10 GHCDRN CCOc1ccc(CNc2cc(Cl)cc(C(=O)N(C)C)c2OC)c(O)c1 ZINC000790652550 879918927 /nfs/dbraw/zinc/91/89/27/879918927.db2.gz JGEQNCLBBYWLHU-UHFFFAOYSA-N 0 0 378.856 3.767 20 10 GHCDRN O=C(Cn1ccc2ccccc2c1=O)N(Cc1ccco1)Cc1ccccc1O ZINC000790739194 879972017 /nfs/dbraw/zinc/97/20/17/879972017.db2.gz HMSSPQBWKNTLMZ-UHFFFAOYSA-N 0 0 388.423 3.529 20 10 GHCDRN CCN(C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C)[C@H](C)CS(C)(=O)=O ZINC000112692615 880086924 /nfs/dbraw/zinc/08/69/24/880086924.db2.gz DYXOEYNBBYSWQY-CQSZACIVSA-N 0 0 396.940 3.643 20 10 GHCDRN Cc1cc(C(=O)NCC2(C)COC2)c(C)n1-c1ccccc1Br ZINC000112693753 880088234 /nfs/dbraw/zinc/08/82/34/880088234.db2.gz JCPOYBQCBPMJIB-UHFFFAOYSA-N 0 0 377.282 3.623 20 10 GHCDRN C[C@@H](C(=O)N1CCc2cccc(O)c2C1)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC001183443616 912532525 /nfs/dbraw/zinc/53/25/25/912532525.db2.gz VZUCIGBSHJDCLZ-UZLBHIALSA-N 0 0 377.484 3.992 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000854948593 880168708 /nfs/dbraw/zinc/16/87/08/880168708.db2.gz OCWXVRFMIKWOEL-MRXNPFEDSA-N 0 0 393.531 3.676 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc(C(F)(F)F)c(=O)[nH]1 ZINC000854949798 880169102 /nfs/dbraw/zinc/16/91/02/880169102.db2.gz XAXLXKQGVGMGNX-LBPRGKRZSA-N 0 0 381.398 3.541 20 10 GHCDRN Cc1cc(C(=O)N2C[C@@H](C)OC3(CCOCC3)C2)c(C)n1-c1ccccc1C ZINC000791061378 880185077 /nfs/dbraw/zinc/18/50/77/880185077.db2.gz YLHUWKZQEMJUEO-GOSISDBHSA-N 0 0 382.504 3.813 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000854988258 880198980 /nfs/dbraw/zinc/19/89/80/880198980.db2.gz RJEFHEJFFBXDFL-HXUWFJFHSA-N 0 0 397.471 3.573 20 10 GHCDRN Cc1cc(CC(=O)N[C@@H]2CCCc3c2ccc(=O)n3C)c(C)n1-c1ccccc1 ZINC000855027577 880224966 /nfs/dbraw/zinc/22/49/66/880224966.db2.gz JWYVILXEAPTHQO-OAQYLSRUSA-N 0 0 389.499 3.529 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1C[C@@H](C)OC2(CCOCC2)C1 ZINC000791150734 880226563 /nfs/dbraw/zinc/22/65/63/880226563.db2.gz PEKJKZYVKMTFAI-LJQANCHMSA-N 0 0 382.504 3.813 20 10 GHCDRN CN1CCCc2cc(CNC(=O)N3CCC(c4ccc(O)cc4)CC3)ccc21 ZINC000746983103 880228280 /nfs/dbraw/zinc/22/82/80/880228280.db2.gz SDJCXJHIHMXGHX-UHFFFAOYSA-N 0 0 379.504 3.864 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](c2nccn2C)C(C)(C)CO)c(C)n1-c1ccccc1C ZINC000855115402 880272727 /nfs/dbraw/zinc/27/27/27/880272727.db2.gz UXJIDPWLIKRKIW-FQEVSTJZSA-N 0 0 394.519 3.626 20 10 GHCDRN Cc1cc(C(=O)N[C@H](c2ccccc2)C(C)(C)CO)c(C)n1-c1ccccn1 ZINC000791255555 880287080 /nfs/dbraw/zinc/28/70/80/880287080.db2.gz AWEKEAUULIAFIY-OAQYLSRUSA-N 0 0 377.488 3.979 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)c(C)n1-c1ccccc1C ZINC000791266428 880292289 /nfs/dbraw/zinc/29/22/89/880292289.db2.gz DDRIWBRIJKOURP-GOSISDBHSA-N 0 0 389.503 3.795 20 10 GHCDRN Cc1cc(C(=O)Nc2ccc(-n3cncn3)cn2)c(C)n1-c1cccc(Cl)c1 ZINC000791286891 880323659 /nfs/dbraw/zinc/32/36/59/880323659.db2.gz IROVEFGKPGRTHJ-UHFFFAOYSA-N 0 0 392.850 3.976 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)CCc3cnc4ccccc4c3)C2)cc1 ZINC000855223737 880368796 /nfs/dbraw/zinc/36/87/96/880368796.db2.gz HOLVCSFYNDDHCS-LJQANCHMSA-N 0 0 375.472 3.571 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCc4ccc(OC)cc43)C2)cc1 ZINC000855227588 880371084 /nfs/dbraw/zinc/37/10/84/880371084.db2.gz YGUQLXOTMZHMFE-UWJYYQICSA-N 0 0 380.488 3.519 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3c(C)n(C)c4ccc(OC)cc43)C2)cc1 ZINC000855227234 880371147 /nfs/dbraw/zinc/37/11/47/880371147.db2.gz WPZOQUDLEPGMFB-MRXNPFEDSA-N 0 0 393.487 3.513 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)CCc3ccc4ccccc4n3)C2)cc1 ZINC000855229722 880374693 /nfs/dbraw/zinc/37/46/93/880374693.db2.gz PSWLMWAEADDWOE-IBGZPJMESA-N 0 0 375.472 3.571 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)CCCCOc3cccc(C)c3)C2)cc1 ZINC000855231956 880377007 /nfs/dbraw/zinc/37/70/07/880377007.db2.gz ZGIFHPNLKXABLC-IBGZPJMESA-N 0 0 382.504 3.948 20 10 GHCDRN CO[C@H](C(=O)Oc1ccc2c(c1)oc(=O)cc2-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000791456124 880420512 /nfs/dbraw/zinc/42/05/12/880420512.db2.gz YNRWXLRLEQERCA-FQEVSTJZSA-N 0 0 395.367 3.699 20 10 GHCDRN Cc1nc2ccc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)cc2o1 ZINC000791525339 880481336 /nfs/dbraw/zinc/48/13/36/880481336.db2.gz FAEVUOBWBLHIOK-ZIAGYGMSSA-N 0 0 397.450 3.819 20 10 GHCDRN Cc1nc2cc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)ccc2o1 ZINC000791527318 880481396 /nfs/dbraw/zinc/48/13/96/880481396.db2.gz PNRJDQWSZVLWMM-ZIAGYGMSSA-N 0 0 397.450 3.819 20 10 GHCDRN Cc1nc2cc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)ccc2o1 ZINC000791527316 880481452 /nfs/dbraw/zinc/48/14/52/880481452.db2.gz PNRJDQWSZVLWMM-KBPBESRZSA-N 0 0 397.450 3.819 20 10 GHCDRN CC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)C=Cc2ccc(O)c(O)c2)cc1 ZINC000772776293 880494815 /nfs/dbraw/zinc/49/48/15/880494815.db2.gz PPGJOOKILIJERW-WZUFQYTHSA-N 0 0 397.427 3.522 20 10 GHCDRN C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Nc1cccc2ccccc21 ZINC000772776347 880496116 /nfs/dbraw/zinc/49/61/16/880496116.db2.gz QVWRSFKYHXZYIG-IEZBTEQYSA-N 0 0 377.396 3.835 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000855678306 880672713 /nfs/dbraw/zinc/67/27/13/880672713.db2.gz XJCTUCNMWMNLBD-UGKGYDQZSA-N 0 0 393.531 3.958 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N(C)C[C@@H]2COCCO2)cc1 ZINC000855681086 880673904 /nfs/dbraw/zinc/67/39/04/880673904.db2.gz FNFFUONHXJFUAH-GOSISDBHSA-N 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COc1cccc(CNC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)c1O ZINC000772806033 881277083 /nfs/dbraw/zinc/27/70/83/881277083.db2.gz ZAIWEQLUQNSBBV-UHFFFAOYSA-N 0 0 386.448 3.607 20 10 GHCDRN O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1C2CCC1CC2 ZINC000914451599 883122011 /nfs/dbraw/zinc/12/20/11/883122011.db2.gz YBEBAIMKEWTBNL-RVDMUPIBSA-N 0 0 392.571 3.883 20 10 GHCDRN C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1cc(Cl)c(Cl)cc1[O-] ZINC000858564478 883201362 /nfs/dbraw/zinc/20/13/62/883201362.db2.gz NWDXEQGFQQQZEO-SNVBAGLBSA-N 0 0 397.258 3.760 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000175041516 883203664 /nfs/dbraw/zinc/20/36/64/883203664.db2.gz JMMPNGADJRFRKC-UKILVPOCSA-N 0 0 390.527 3.776 20 10 GHCDRN C[C@@H](C[C@@H]1CCOC1)NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000760191517 883214323 /nfs/dbraw/zinc/21/43/23/883214323.db2.gz CNVHCXHSUSXNLN-HKUYNNGSSA-N 0 0 385.508 3.873 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CC(C)(C)OC3(C)C)cc2F)C[C@H](C)O1 ZINC000858625866 883241925 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COc1ccc([C@@H](C)CC(=O)NCc2cc(Br)ccc2O)cc1 ZINC000804737582 883319696 /nfs/dbraw/zinc/31/96/96/883319696.db2.gz LTGWLPMESCQGEF-LBPRGKRZSA-N 0 0 378.266 3.973 20 10 GHCDRN CCOC(=O)c1cc(NCc2cc(Br)ccc2O)ccc1[N+](=O)[O-] ZINC000804826842 883389337 /nfs/dbraw/zinc/38/93/37/883389337.db2.gz HJQLMAQIGIKECD-UHFFFAOYSA-N 0 0 395.209 3.852 20 10 GHCDRN CN(C)c1cc(C(F)(F)F)nc(NCc2cc(Br)ccc2O)n1 ZINC000804827250 883389703 /nfs/dbraw/zinc/38/97/03/883389703.db2.gz OEIAXROQEDVNHL-UHFFFAOYSA-N 0 0 391.191 3.642 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccc(C[S@](C)=O)cc2)cc1 ZINC000804865878 883407697 /nfs/dbraw/zinc/40/76/97/883407697.db2.gz JZNOMDSWINZHCI-MHZLTWQESA-N 0 0 380.513 3.903 20 10 GHCDRN C[C@@H](CCc1ccccc1)NC(=O)NCc1cc(Br)ccc1O ZINC000804857378 883437509 /nfs/dbraw/zinc/43/75/09/883437509.db2.gz CPTRXGVXAOZIOC-ZDUSSCGKSA-N 0 0 377.282 3.975 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3nc4ccccc4cc3C)C2)cc1 ZINC001129993312 883438885 /nfs/dbraw/zinc/43/88/85/883438885.db2.gz OTKAPRIYVDLSNV-KRWDZBQOSA-N 0 0 375.472 3.808 20 10 GHCDRN Cc1cc(CNC(=O)N2CC=C(c3ccnn3C)CC2)c(C)n1-c1ccccc1 ZINC000858905881 883445254 /nfs/dbraw/zinc/44/52/54/883445254.db2.gz FBFOBRDCVKRGDU-UHFFFAOYSA-N 0 0 389.503 3.827 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)NCC1(c2ccc(F)cc2)CC1 ZINC000804922051 883452169 /nfs/dbraw/zinc/45/21/69/883452169.db2.gz KTVYVLJPXGGZLD-UHFFFAOYSA-N 0 0 393.256 3.825 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@H]2CCC(=O)C[C@@H]2C)c(C)n1-c1cccc(F)c1 ZINC000760555987 883465376 /nfs/dbraw/zinc/46/53/76/883465376.db2.gz QUCXJCOYAFYCIL-DJJJIMSYSA-N 0 0 385.435 3.964 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC(n2ccnc2)CC1 ZINC000858933691 883473804 /nfs/dbraw/zinc/47/38/04/883473804.db2.gz RFDGXVFXHOBVGX-UHFFFAOYSA-N 0 0 376.460 3.580 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@@H]2CCC(=O)C[C@@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000760555481 883478179 /nfs/dbraw/zinc/47/81/79/883478179.db2.gz PFNNQXKDNASLSK-ORAYPTAESA-N 0 0 385.435 3.964 20 10 GHCDRN COc1ccc(N2CCC(NS(=O)(=O)c3ccc(C(F)F)cc3)CC2)cc1 ZINC000804986986 883530882 /nfs/dbraw/zinc/53/08/82/883530882.db2.gz VUSIKDXPGXUJDY-UHFFFAOYSA-N 0 0 396.459 3.580 20 10 GHCDRN CC[C@@H](C)[C@H](C)N(C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)C1CC1 ZINC000805024224 883539172 /nfs/dbraw/zinc/53/91/72/883539172.db2.gz QEOXDOVUPGVRKE-MOPGFXCFSA-N 0 0 399.579 3.965 20 10 GHCDRN CCc1nc(CCNC(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)cs1 ZINC000859095506 883584977 /nfs/dbraw/zinc/58/49/77/883584977.db2.gz RUUCXRAWXHINEH-UHFFFAOYSA-N 0 0 395.528 3.827 20 10 GHCDRN CC1(C)C[C@@H](C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C(C)(C)O1 ZINC000859098623 883587548 /nfs/dbraw/zinc/58/75/48/883587548.db2.gz OEDLHZOVWVDFTH-KRWDZBQOSA-N 0 0 396.478 3.967 20 10 GHCDRN CC1(C)C2CCC1(C(=O)NCc1cc(F)c(N3CCOCC3)c(F)c1)CC2 ZINC001275224570 912726464 /nfs/dbraw/zinc/72/64/64/912726464.db2.gz OGJDNNAUMPUZSB-UHFFFAOYSA-N 0 0 378.463 3.634 20 10 GHCDRN C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000805152638 883629885 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Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000859460728 883828141 /nfs/dbraw/zinc/82/81/41/883828141.db2.gz ZUDGJPLARHBCSX-XZOQPEGZSA-N 0 0 378.516 3.624 20 10 GHCDRN CC(=O)N[C@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)c1ccccc1 ZINC000914506205 883901127 /nfs/dbraw/zinc/90/11/27/883901127.db2.gz JDINVUUCKDMGGF-JOCHJYFZSA-N 0 0 381.520 3.757 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)C(=O)OCc2ccccc2)cc1 ZINC001130289292 883940452 /nfs/dbraw/zinc/94/04/52/883940452.db2.gz DXGAFQUECHNYCI-SFHVURJKSA-N 0 0 376.456 3.956 20 10 GHCDRN Cc1cocc1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000859660267 883976621 /nfs/dbraw/zinc/97/66/21/883976621.db2.gz XKLMTKNMOWRIPY-GOSISDBHSA-N 0 0 387.480 3.650 20 10 GHCDRN C[C@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc[nH]1 ZINC000760348813 883985409 /nfs/dbraw/zinc/98/54/09/883985409.db2.gz VTBCJVJTUYMGTR-ZDUSSCGKSA-N 0 0 378.423 3.645 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@H](CNC(N)=O)C2)c(C)n1-c1cccc(C(C)C)c1 ZINC000918592410 884023647 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CCn1nnc(C)c1CNC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000862081281 886091104 /nfs/dbraw/zinc/09/11/04/886091104.db2.gz AJNPUMXAZCHNSN-UHFFFAOYSA-N 0 0 385.899 3.526 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1(c2ccccc2)CCC1 ZINC000118725390 886110922 /nfs/dbraw/zinc/11/09/22/886110922.db2.gz KLLBZCTUSQDKTM-UHFFFAOYSA-N 0 0 378.516 3.633 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCCc2ncc(C)cc2C)cc1 ZINC000862142644 886154051 /nfs/dbraw/zinc/15/40/51/886154051.db2.gz ZWWVTBSHTPVUSA-UHFFFAOYSA-N 0 0 389.499 3.820 20 10 GHCDRN Cc1cc(C(=O)N(C)Cc2nnc3n2CCCCC3)c(C)n1-c1cccc(C)c1 ZINC000915269160 886169169 /nfs/dbraw/zinc/16/91/69/886169169.db2.gz NQLMPMDXBSWYKD-UHFFFAOYSA-N 0 0 391.519 3.993 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC3(CCCC3=O)CC2)c1 ZINC000862215007 886212132 /nfs/dbraw/zinc/21/21/32/886212132.db2.gz BHVPGMWHWFKNKW-UHFFFAOYSA-N 0 0 378.472 3.882 20 10 GHCDRN Cc1ccc(NC(=O)C2CCN(Cc3cc(F)c(N(C)C)cc3F)CC2)nc1 ZINC000862223168 886220128 /nfs/dbraw/zinc/22/01/28/886220128.db2.gz 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Cc1c(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)cnn1C1CCCC1 ZINC000192998245 908840872 /nfs/dbraw/zinc/84/08/72/908840872.db2.gz HBIKEMBXHVHXND-DHZHZOJOSA-N 0 0 380.492 3.795 20 10 GHCDRN Cc1cc(C(=O)N(C)CCc2ccc3c(c2)OCO3)c(C)n1-c1ccccn1 ZINC001177997584 908841458 /nfs/dbraw/zinc/84/14/58/908841458.db2.gz IVOALCJGMAMVSL-UHFFFAOYSA-N 0 0 377.444 3.533 20 10 GHCDRN COc1ccnc(C2(C(=O)N[C@H]3c4c(c(C)cc(C)c4O)CC3(C)C)CC2)c1 ZINC001178043128 908882585 /nfs/dbraw/zinc/88/25/85/908882585.db2.gz DVAJCGVWSGVSJU-FQEVSTJZSA-N 0 0 380.488 3.884 20 10 GHCDRN CCc1nnc(-c2ccc(NCc3ccc(N4CCN(C)CC4)c(F)c3)cc2)o1 ZINC001178077526 908892913 /nfs/dbraw/zinc/89/29/13/908892913.db2.gz DWUQZMOVPYZGBP-UHFFFAOYSA-N 0 0 395.482 3.802 20 10 GHCDRN Cc1cc(=O)c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cn1C1CC1 ZINC000773727874 908955792 /nfs/dbraw/zinc/95/57/92/908955792.db2.gz YHRJERGLRQKCIQ-UHFFFAOYSA-N 0 0 379.504 3.754 20 10 GHCDRN COc1ccc(C2(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)CCCC2)cc1OC ZINC000773739244 909005578 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O=C(NCc1cc(Cl)c2cccnc2c1O)C1=NO[C@H](c2ccccc2)C1 ZINC001178807427 909237806 /nfs/dbraw/zinc/23/78/06/909237806.db2.gz IXUFNSLKPPREJZ-KRWDZBQOSA-N 0 0 381.819 3.728 20 10 GHCDRN O=C(NCc1c(O)ccc2ccccc21)c1cnc(OCc2ccccc2)cn1 ZINC001179032290 909367284 /nfs/dbraw/zinc/36/72/84/909367284.db2.gz DRYNAZMWLOIRBM-UHFFFAOYSA-N 0 0 385.423 3.844 20 10 GHCDRN CC[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1nnc2n1CCCCC2 ZINC000267412960 909487321 /nfs/dbraw/zinc/48/73/21/909487321.db2.gz OWMYGROYZBEJPR-GOSISDBHSA-N 0 0 397.523 3.539 20 10 GHCDRN CCN(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)C(C)C ZINC000795249792 909512269 /nfs/dbraw/zinc/51/22/69/909512269.db2.gz WKKMMBUFNZSRSX-SFHVURJKSA-N 0 0 392.544 3.758 20 10 GHCDRN Cc1cnc([C@H](C)NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000267478191 909519855 /nfs/dbraw/zinc/51/98/55/909519855.db2.gz GDCGSMMCLVITBT-GOEBONIOSA-N 0 0 375.494 3.609 20 10 GHCDRN NC(=O)c1sc(-c2ccsc2)cc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179683290 909670876 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CC1CCN(c2ccc(CNC(=O)N[C@@H]3[C@H]4CCO[C@H]4C34CCC4)cc2)CC1 ZINC000245877780 909978005 /nfs/dbraw/zinc/97/80/05/909978005.db2.gz KAKVRGCAPPIFJT-NJDAHSKKSA-N 0 0 383.536 3.680 20 10 GHCDRN C[C@H](NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(N(C)C)cc1 ZINC000773845478 910046514 /nfs/dbraw/zinc/04/65/14/910046514.db2.gz HJCCMXXSSCLBJT-LBPRGKRZSA-N 0 0 379.382 3.587 20 10 GHCDRN CCc1nc2ccccc2c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1C ZINC000773851257 910083664 /nfs/dbraw/zinc/08/36/64/910083664.db2.gz JCTXDQUMUOXSAN-UHFFFAOYSA-N 0 0 389.499 3.872 20 10 GHCDRN COC(=O)c1c(CNCc2ccc(OC(C)(C)C)nc2)c2cc(F)ccc2n1C ZINC001180345283 910086107 /nfs/dbraw/zinc/08/61/07/910086107.db2.gz UEFOBJLQXISRMV-UHFFFAOYSA-N 0 0 399.466 3.966 20 10 GHCDRN C[C@@H](NC(=O)C(=O)Nc1ccccc1N1CCCCC1)c1ccc(N(C)C)cc1 ZINC000773856035 910155447 /nfs/dbraw/zinc/15/54/47/910155447.db2.gz IEKBTEUCKMHNEH-QGZVFWFLSA-N 0 0 394.519 3.559 20 10 GHCDRN CC(C)(C)OC(=O)COc1ccc(C(=O)NCc2cccc(Cl)c2O)cc1 ZINC001180421094 910157255 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Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c(Cl)n1 ZINC000751403024 928172541 /nfs/dbraw/zinc/17/25/41/928172541.db2.gz BFHWKJFQPSZNKO-GOSISDBHSA-N 0 0 387.911 3.931 20 10 GHCDRN CC1(C)CCC(=CC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000751664287 928311130 /nfs/dbraw/zinc/31/11/30/928311130.db2.gz MWYRYELIEBKGCS-LJQANCHMSA-N 0 0 383.536 3.531 20 10 GHCDRN O=C(NCc1ncccc1F)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000752412399 928816498 /nfs/dbraw/zinc/81/64/98/928816498.db2.gz FVZMMBDVCXHOLI-UHFFFAOYSA-N 0 0 377.379 3.891 20 10 GHCDRN O=C(C1=CC(=O)CS1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000752634117 928939578 /nfs/dbraw/zinc/93/95/78/928939578.db2.gz ARJRQFUVIDNJMY-UHFFFAOYSA-N 0 0 376.481 3.982 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1cc(C(=O)OC)c2ccccc21 ZINC000752657844 928958884 /nfs/dbraw/zinc/95/88/84/928958884.db2.gz WQOCPMXMPOSXMQ-UHFFFAOYSA-N 0 0 393.487 3.543 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(COC(C)(C)C)cc1 ZINC000752725339 928997671 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GHCDRN COC(=O)CCC1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CC1 ZINC000753325517 929304123 /nfs/dbraw/zinc/30/41/23/929304123.db2.gz LDBLGLGOAKWXRJ-UHFFFAOYSA-N 0 0 398.503 3.908 20 10 GHCDRN CC[C@H](CNC(=O)N[C@H](C)c1cc(OC)ccc1O)Oc1cccc(F)c1 ZINC000753349487 929312985 /nfs/dbraw/zinc/31/29/85/929312985.db2.gz ZIYLNOPLIYKPKD-UKRRQHHQSA-N 0 0 376.428 3.758 20 10 GHCDRN COc1ccc(N2CCN(C(=O)CCc3cc(Cl)cs3)CC2)cc1F ZINC000753739765 929510450 /nfs/dbraw/zinc/51/04/50/929510450.db2.gz YFXRQMWJQJQERT-UHFFFAOYSA-N 0 0 382.888 3.831 20 10 GHCDRN COc1ccc(N2CCN(C(=O)N[C@H](c3ccccc3)C3CC3)CC2)cc1F ZINC000753819283 929549851 /nfs/dbraw/zinc/54/98/51/929549851.db2.gz AVJPAAMONATCGV-OAQYLSRUSA-N 0 0 383.467 3.817 20 10 GHCDRN COc1ccc(N2CCN(C(=O)N[C@H](C)c3c(F)cccc3F)CC2)cc1F ZINC000753846860 929560941 /nfs/dbraw/zinc/56/09/41/929560941.db2.gz KHHCIRRVKIIJRP-CYBMUJFWSA-N 0 0 393.409 3.705 20 10 GHCDRN COc1ccc(N2CCN([C@@H](C)C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1F ZINC000753857022 929565897 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382.273 3.938 20 10 GHCDRN COC(=O)c1nc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)sc1C ZINC000757700725 929777042 /nfs/dbraw/zinc/77/70/42/929777042.db2.gz BJHJADFYRRJRFN-TXEJJXNPSA-N 0 0 393.484 3.603 20 10 GHCDRN COc1ccc(N(C)CC(=O)Nc2ccc(Br)cc2C)cc1F ZINC000757851205 929825693 /nfs/dbraw/zinc/82/56/93/929825693.db2.gz FAVPBHPOBZMNLG-UHFFFAOYSA-N 0 0 381.245 3.980 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@H]2CCCc3n[nH]cc32)c(C)n1-c1ccc(F)cc1 ZINC000758135920 929939029 /nfs/dbraw/zinc/93/90/29/929939029.db2.gz IADNDAULSGUEGU-KRWDZBQOSA-N 0 0 395.434 3.802 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H](OC2CCOCC2)c2ccccc2)cc1 ZINC000758153803 929949050 /nfs/dbraw/zinc/94/90/50/929949050.db2.gz BRJGPJKLFHRHRB-QFIPXVFZSA-N 0 0 382.504 3.648 20 10 GHCDRN C[C@]1(c2ccccn2)CC(=O)N(CN2CCCc3cc(OC(F)F)ccc32)C1 ZINC000758247396 929987200 /nfs/dbraw/zinc/98/72/00/929987200.db2.gz HBNCPLDCQPQLOE-NRFANRHFSA-N 0 0 387.430 3.583 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000758315750 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CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC2(CCC2)c2c1cccc2F ZINC000784026119 931759783 /nfs/dbraw/zinc/75/97/83/931759783.db2.gz CHYOGPUYOMUFBY-UHFFFAOYSA-N 0 0 396.462 3.738 20 10 GHCDRN Cc1ccncc1/C=C\C(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21 ZINC000784038236 931763979 /nfs/dbraw/zinc/76/39/79/931763979.db2.gz MZYKAKTVAPWZMV-OUOZUETKSA-N 0 0 383.879 3.665 20 10 GHCDRN CC(=O)Nc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1 ZINC000784061172 931770733 /nfs/dbraw/zinc/77/07/33/931770733.db2.gz MGRICBJLDHWLGT-UHFFFAOYSA-N 0 0 394.475 3.532 20 10 GHCDRN Cc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc(Cl)n1 ZINC000777563345 931803827 /nfs/dbraw/zinc/80/38/27/931803827.db2.gz BMGCPWGNYFSZQC-ZIAGYGMSSA-N 0 0 391.874 3.726 20 10 GHCDRN Cc1ccc([C@@H]2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000784241004 931830102 /nfs/dbraw/zinc/83/01/02/931830102.db2.gz KZKFPJASPXCBCT-OAQYLSRUSA-N 0 0 379.504 3.531 20 10 GHCDRN CCc1sc(-c2nnc(COC(=O)/C=C\c3ccc(O)c(O)c3)o2)cc1C ZINC000784285820 931845412 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391.409 3.581 20 10 GHCDRN CC(C)(C)OC(=O)N1CC[C@@H](Oc2c(O)c(O)ccc2C(=O)c2ccccc2)C1 ZINC001227937107 1032704840 /nfs/dbraw/zinc/70/48/40/1032704840.db2.gz BNODHHJBHDHBRP-OAHLLOKOSA-N 0 0 399.443 3.717 20 10 GHCDRN O=C(c1ccccc1)c1ccc(O)c(O)c1OC[C@H]1COc2ccccc2O1 ZINC001227937181 1032705468 /nfs/dbraw/zinc/70/54/68/1032705468.db2.gz DMQIZVMOJOFERX-OAHLLOKOSA-N 0 0 378.380 3.548 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(P(C)(C)=O)cc2)cc1F ZINC000932386599 1018251575 /nfs/dbraw/zinc/25/15/75/1018251575.db2.gz RZYRWZJBNCBEBP-UHFFFAOYSA-N 0 0 376.412 3.850 20 10 GHCDRN CN(C(=O)C1CC1)c1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000932611506 1018527558 /nfs/dbraw/zinc/52/75/58/1018527558.db2.gz AFHUOPHJXZNUMJ-UHFFFAOYSA-N 0 0 390.487 3.757 20 10 GHCDRN O=C(c1ccc(O)cc1)c1ccc(O)c(O)c1O[C@H]1CCOc2ccccc21 ZINC001228114524 1032789666 /nfs/dbraw/zinc/78/96/66/1032789666.db2.gz IBDNWDGXYZMQEG-IBGZPJMESA-N 0 0 378.380 3.937 20 10 GHCDRN Oc1cc2c(cc1O)CN(c1nccnc1C1SCCCS1)CCC2 ZINC001155941762 1032805348 /nfs/dbraw/zinc/80/53/48/1032805348.db2.gz YMTUHNLKDZVWIU-UHFFFAOYSA-N 0 0 375.519 3.709 20 10 GHCDRN COc1ccc(-c2ccc(N3CCCc4cc(O)c(O)cc4C3)nn2)c(OC)c1 ZINC001155944423 1032806038 /nfs/dbraw/zinc/80/60/38/1032806038.db2.gz DKBFWQCCNMHEKA-UHFFFAOYSA-N 0 0 393.443 3.525 20 10 GHCDRN COc1cccc(CNC(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)c1O ZINC000155997484 1019590627 /nfs/dbraw/zinc/59/06/27/1019590627.db2.gz XIEWGTDDMLDNFB-OAHLLOKOSA-N 0 0 390.308 3.782 20 10 GHCDRN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000156634490 1019691303 /nfs/dbraw/zinc/69/13/03/1019691303.db2.gz UYYLWRQNWZXYFD-MSOLQXFVSA-N 0 0 397.519 3.562 20 10 GHCDRN CC(C)Cc1nnc(NC(=O)NCc2ccc(N3CCSCC3)cc2)s1 ZINC000047349183 1019996750 /nfs/dbraw/zinc/99/67/50/1019996750.db2.gz ACWIADRZOJMZJC-UHFFFAOYSA-N 0 0 391.566 3.612 20 10 GHCDRN Cc1noc(C)c1COc1ccc(CC(=O)NCc2c(O)cccc2F)cc1 ZINC001156163999 1032908825 /nfs/dbraw/zinc/90/88/25/1032908825.db2.gz JCBDTHKCNVGITG-UHFFFAOYSA-N 0 0 384.407 3.574 20 10 GHCDRN COc1cccc(C(=O)c2ccc(C(=O)NCc3c(O)cccc3F)cc2)c1 ZINC001156170295 1032911425 /nfs/dbraw/zinc/91/14/25/1032911425.db2.gz KIVFVTIBQDGBLK-UHFFFAOYSA-N 0 0 379.387 3.701 20 10 GHCDRN COC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(C(F)(F)F)c1 ZINC000779517494 1020838388 /nfs/dbraw/zinc/83/83/88/1020838388.db2.gz BMKYGRKJWTVGOE-VFADXPBXSA-N 0 0 381.350 3.634 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)CSC3CCCC3)cc2F)C[C@@H](C)O1 ZINC000193562802 1020937548 /nfs/dbraw/zinc/93/75/48/1020937548.db2.gz YUIQOKMEXQVVMD-HUUCEWRRSA-N 0 0 380.529 3.731 20 10 GHCDRN C[C@@H](Cc1cccs1)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000193800199 1020952203 /nfs/dbraw/zinc/95/22/03/1020952203.db2.gz RXBUCUZJVWARLX-HNNXBMFYSA-N 0 0 375.563 3.732 20 10 GHCDRN O=C(c1ccc(F)cc1)c1cc(Cl)ccc1NC[C@H]1CCCS(=O)(=O)C1 ZINC000795266291 1021006799 /nfs/dbraw/zinc/00/67/99/1021006799.db2.gz RBSGIXFDUQPQFT-CYBMUJFWSA-N 0 0 395.883 3.947 20 10 GHCDRN COc1ccc(CN2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c(O)c1OC ZINC001204533183 1032954486 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CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H]1CCCC[C@H]1OC ZINC000834519118 1021240798 /nfs/dbraw/zinc/24/07/98/1021240798.db2.gz ZMENLCFQVYOFKV-UYAOXDASSA-N 0 0 390.524 3.580 20 10 GHCDRN CO[C@H](C)c1nsc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000800856792 1021342709 /nfs/dbraw/zinc/34/27/09/1021342709.db2.gz VPIDFJIMPNVWOC-NEPJUHHUSA-N 0 0 384.452 3.928 20 10 GHCDRN CCOC[C@@H]1CN(Cc2c(O)cccc2Cl)Cc2c1cnn2CC1CC1 ZINC001140339527 1021447335 /nfs/dbraw/zinc/44/73/35/1021447335.db2.gz WDNYMSGGPLSLMW-HNNXBMFYSA-N 0 0 375.900 3.788 20 10 GHCDRN Cc1c(CN2CCN(c3ccc(OCc4ccccc4)cc3)CC2)cnn1C ZINC001204575700 1032980555 /nfs/dbraw/zinc/98/05/55/1032980555.db2.gz DCYWICQTXFBHBM-UHFFFAOYSA-N 0 0 376.504 3.630 20 10 GHCDRN CCn1c(N(C)Cc2ccc(N3CCCCC3)cc2)nnc1[C@@]1(C)CCCO1 ZINC000834936467 1021703757 /nfs/dbraw/zinc/70/37/57/1021703757.db2.gz XCIVZILOJDDCOC-JOCHJYFZSA-N 0 0 383.540 3.950 20 10 GHCDRN Oc1cc(Cl)ccc1CN1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001140464785 1021756566 /nfs/dbraw/zinc/75/65/66/1021756566.db2.gz BIOMYQCURBFUOF-YFVAEKQCSA-N 0 0 388.895 3.637 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccc(Cl)cc2O)CC(F)(F)C1 ZINC001140464521 1021757985 /nfs/dbraw/zinc/75/79/85/1021757985.db2.gz SSYIGFWRQSOYJX-ZDUSSCGKSA-N 0 0 376.831 3.780 20 10 GHCDRN CC(=O)N1CCN(Cc2ccccc2NC/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835046291 1021809211 /nfs/dbraw/zinc/80/92/11/1021809211.db2.gz UXMLJFFBFNQRQF-VOTSOKGWSA-N 0 0 392.547 3.542 20 10 GHCDRN COc1c([O-])c(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)ccc1[N+](=O)[O-] ZINC000835064918 1021842023 /nfs/dbraw/zinc/84/20/23/1021842023.db2.gz DCQBVOJYSDCVKX-FQEVSTJZSA-N 0 0 386.448 3.693 20 10 GHCDRN CN(CCc1nc(-c2ccccc2)no1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001140528761 1021925229 /nfs/dbraw/zinc/92/52/29/1021925229.db2.gz OSFCVSXELGLTEW-UHFFFAOYSA-N 0 0 395.440 3.677 20 10 GHCDRN Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc3c(c2)CCC3=O)cc1 ZINC000835254950 1021987406 /nfs/dbraw/zinc/98/74/06/1021987406.db2.gz FYWILDWERWIPAW-UHFFFAOYSA-N 0 0 391.471 3.560 20 10 GHCDRN O=C1OC2(CC[NH+](Cc3c([O-])cc(F)cc3F)CC2)c2ccc(Cl)cc21 ZINC001140584053 1022007388 /nfs/dbraw/zinc/00/73/88/1022007388.db2.gz DXPGFOPYGIQHRA-UHFFFAOYSA-N 0 0 379.790 3.986 20 10 GHCDRN Fc1ccc([C@H]2CN(Cc3ccc(N4CCOCC4)cc3F)CCO2)cc1F ZINC001140664335 1022209090 /nfs/dbraw/zinc/20/90/90/1022209090.db2.gz FRAIPAGJELDIOM-OAQYLSRUSA-N 0 0 392.421 3.514 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](C)Cc2cccc(O)c2)CCCC1 ZINC001140665965 1022214070 /nfs/dbraw/zinc/21/40/70/1022214070.db2.gz ASDUCMJZPYBREA-INIZCTEOSA-N 0 0 392.499 3.982 20 10 GHCDRN CO[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@H]1C ZINC000835752771 1022353154 /nfs/dbraw/zinc/35/31/54/1022353154.db2.gz GOPGWZUBMBNLOQ-DNVCBOLYSA-N 0 0 380.448 3.924 20 10 GHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cccc3nccnc32)cc1 ZINC000754237838 1022552706 /nfs/dbraw/zinc/55/27/06/1022552706.db2.gz RQAXJWIXSVIRGL-UHFFFAOYSA-N 0 0 388.393 3.901 20 10 GHCDRN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000754538913 1022761055 /nfs/dbraw/zinc/76/10/55/1022761055.db2.gz FIBXZUXTVVHDIX-ZLOXQWCVSA-N 0 0 399.402 3.629 20 10 GHCDRN COc1cccc([C@@H]2C[C@H]2NC(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000836242530 1022762076 /nfs/dbraw/zinc/76/20/76/1022762076.db2.gz NWLZFCCIBHBOIN-LEWJYISDSA-N 0 0 397.544 3.604 20 10 GHCDRN C[C@]1(CNC(=O)NCc2ccc(N3CCSCC3)cc2)CC1(Cl)Cl ZINC000836243123 1022762369 /nfs/dbraw/zinc/76/23/69/1022762369.db2.gz UHYQXVLDRBRVIM-MRXNPFEDSA-N 0 0 388.364 3.623 20 10 GHCDRN COC(=O)c1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 ZINC000754548873 1022763817 /nfs/dbraw/zinc/76/38/17/1022763817.db2.gz RQHLJMGKSDHPGA-UHFFFAOYSA-N 0 0 385.375 3.501 20 10 GHCDRN C[C@H](NC(=O)NCc1c(F)cc(F)cc1F)c1ccc(N2CCOCC2)cc1 ZINC000836257650 1022783413 /nfs/dbraw/zinc/78/34/13/1022783413.db2.gz ZINAEGPVIZKMKQ-ZDUSSCGKSA-N 0 0 393.409 3.501 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N3C[C@@]4(CCCO4)[C@@H]3C3CC3)cc2)CC1 ZINC000836289674 1022830128 /nfs/dbraw/zinc/83/01/28/1022830128.db2.gz MRDVEBWSHAYZPU-GMAHTHKFSA-N 0 0 383.536 3.776 20 10 GHCDRN CCO[C@H](C)c1noc(CN(C)Cc2cc(OC)cc(C(C)(C)C)c2O)n1 ZINC000754740818 1022873570 /nfs/dbraw/zinc/87/35/70/1022873570.db2.gz IKSHXRMMWDZIGY-CYBMUJFWSA-N 0 0 377.485 3.811 20 10 GHCDRN CN(C)c1ccc(CN2CCN(C(=O)c3ccccc3F)CC2)c(Cl)c1 ZINC001140923930 1022900540 /nfs/dbraw/zinc/90/05/40/1022900540.db2.gz LKPVYZICUHJNID-UHFFFAOYSA-N 0 0 375.875 3.503 20 10 GHCDRN CNC(=O)Cc1nc(COC(=O)c2cc(C)n(-c3ccccc3C)c2C)cs1 ZINC000754815487 1022909861 /nfs/dbraw/zinc/90/98/61/1022909861.db2.gz RNLGXLBKTRDQKT-UHFFFAOYSA-N 0 0 397.500 3.505 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@](C)(O)c1cccc(C(F)(F)F)c1 ZINC000754842821 1022928709 /nfs/dbraw/zinc/92/87/09/1022928709.db2.gz BBUPJRMCVFLLNH-IBGZPJMESA-N 0 0 380.410 3.604 20 10 GHCDRN Cc1nc(COCc2cnc3n2CCN(Cc2ccc(C)cc2O)[C@H]3C)cs1 ZINC001140952276 1022980561 /nfs/dbraw/zinc/98/05/61/1022980561.db2.gz KYSXONPXQKPQNC-HNNXBMFYSA-N 0 0 398.532 3.956 20 10 GHCDRN CN(C)c1ccc(CNC(=O)NCc2ccc(OC(F)F)c(F)c2)cc1F ZINC000836487807 1023023829 /nfs/dbraw/zinc/02/38/29/1023023829.db2.gz JGAVGUFKVDTGSN-UHFFFAOYSA-N 0 0 385.361 3.632 20 10 GHCDRN C[C@]1(C(N)=O)CCCCN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000755254216 1023157764 /nfs/dbraw/zinc/15/77/64/1023157764.db2.gz VLSVCKWFDPOJQZ-OAQYLSRUSA-N 0 0 379.464 3.770 20 10 GHCDRN Cc1cc(CCNC(=O)N[C@@H]2C[C@@H](C)n3ccnc32)c(C)n1-c1ccccc1 ZINC000836629779 1023191518 /nfs/dbraw/zinc/19/15/18/1023191518.db2.gz XXTDYTPHYQZKDU-FOIQADDNSA-N 0 0 377.492 3.838 20 10 GHCDRN CN(CCN(C)c1ccc(Nc2cnc3ccnn3c2)cc1)c1ccc(N)cc1 ZINC001204834333 1033113494 /nfs/dbraw/zinc/11/34/94/1033113494.db2.gz LKIOPKHOFGLFIC-UHFFFAOYSA-N 0 0 387.491 3.628 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)N[C@@H](c3ccccc3)C(F)F)CC2)cc1 ZINC000836667760 1023232087 /nfs/dbraw/zinc/23/20/87/1023232087.db2.gz JTBGCAHBEREONO-IBGZPJMESA-N 0 0 389.446 3.923 20 10 GHCDRN CCOC(=O)CN1c2ccccc2/C(=C\c2cnc(-c3ccccc3)nc2)C1=O ZINC000755410069 1023235916 /nfs/dbraw/zinc/23/59/16/1023235916.db2.gz JPKLJPALVJNZPM-XDHOZWIPSA-N 0 0 385.423 3.594 20 10 GHCDRN CC(C)[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000755580361 1023299980 /nfs/dbraw/zinc/29/99/80/1023299980.db2.gz ZYHNHNOYURNAGB-NRFANRHFSA-N 0 0 388.458 3.857 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(C)cc1S(C)(=O)=O ZINC000836762351 1023346510 /nfs/dbraw/zinc/34/65/10/1023346510.db2.gz MSGFQTOMLGNMIZ-UHFFFAOYSA-N 0 0 376.478 3.548 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@H](N3CCOCC3)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC001141050335 1023390104 /nfs/dbraw/zinc/39/01/04/1023390104.db2.gz KETUSTNRAKCSLF-NRFANRHFSA-N 0 0 395.547 3.648 20 10 GHCDRN CCOC[C@H]1C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)Cc2cn(CC)nc21 ZINC001141077063 1023440484 /nfs/dbraw/zinc/44/04/84/1023440484.db2.gz MEJIQVVNUATGGU-JOCHJYFZSA-N 0 0 394.563 3.738 20 10 GHCDRN C[C@@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)Cc2nnc(C(F)(F)F)n21 ZINC001141077856 1023442678 /nfs/dbraw/zinc/44/26/78/1023442678.db2.gz CMVQUHBBNKGQQT-CYBMUJFWSA-N 0 0 391.441 3.573 20 10 GHCDRN CN(C)c1ccc(CNCc2cn(-c3ccc(Cl)cc3Cl)nn2)cc1 ZINC000755999948 1023472524 /nfs/dbraw/zinc/47/25/24/1023472524.db2.gz OSIWZGVRRBWCAP-UHFFFAOYSA-N 0 0 376.291 3.930 20 10 GHCDRN C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756078279 1023512973 /nfs/dbraw/zinc/51/29/73/1023512973.db2.gz KVYQKOKEJSOKNO-UWVGGRQHSA-N 0 0 391.281 3.858 20 10 GHCDRN Cc1cc(C(=O)NCCCNC(=O)C(C)C)c(C)n1-c1cccc(Cl)c1 ZINC000756251404 1023565717 /nfs/dbraw/zinc/56/57/17/1023565717.db2.gz MPAANPNKQWZWLN-UHFFFAOYSA-N 0 0 375.900 3.640 20 10 GHCDRN O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc2c(c1)CCC2 ZINC000756335840 1023594315 /nfs/dbraw/zinc/59/43/15/1023594315.db2.gz KFYHWMLAPIKUGT-NRFANRHFSA-N 0 0 380.488 3.501 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1cc(Br)c(F)cc1[O-] ZINC000756352580 1023602452 /nfs/dbraw/zinc/60/24/52/1023602452.db2.gz VDTWPMKKCQSNBE-GHMZBOCLSA-N 0 0 382.229 3.784 20 10 GHCDRN CSCC[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1nnc2ccccn21 ZINC000756364960 1023607891 /nfs/dbraw/zinc/60/78/91/1023607891.db2.gz MFGBZXYEGGXICO-NHYWBVRUSA-N 0 0 378.448 3.858 20 10 GHCDRN C[C@@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756434237 1023646686 /nfs/dbraw/zinc/64/66/86/1023646686.db2.gz VJCSFSGUGCEOBP-CYBMUJFWSA-N 0 0 391.418 3.894 20 10 GHCDRN COc1ccc(C2(C[NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3[O-])CCOCC2)cc1 ZINC000756453305 1023659590 /nfs/dbraw/zinc/65/95/90/1023659590.db2.gz DWZAEICTQWTMTR-OAHLLOKOSA-N 0 0 386.448 3.708 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1cc(Br)c(F)cc1[O-] ZINC000756456679 1023661482 /nfs/dbraw/zinc/66/14/82/1023661482.db2.gz IETFNVDFXHUGIL-OCCSQVGLSA-N 0 0 382.273 3.796 20 10 GHCDRN C[C@@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)c1cc(F)cc(F)c1[O-] ZINC000756460439 1023663885 /nfs/dbraw/zinc/66/38/85/1023663885.db2.gz PPUNUDMFMVJOED-CYBMUJFWSA-N 0 0 391.414 3.798 20 10 GHCDRN CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756469780 1023670340 /nfs/dbraw/zinc/67/03/40/1023670340.db2.gz JQXCFJVCJSDFKS-ZDUSSCGKSA-N 0 0 398.475 3.552 20 10 GHCDRN C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756475390 1023675649 /nfs/dbraw/zinc/67/56/49/1023675649.db2.gz PAQIYPVQIBDAIN-UKRRQHHQSA-N 0 0 379.457 3.741 20 10 GHCDRN C[C@H]([NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756503998 1023687289 /nfs/dbraw/zinc/68/72/89/1023687289.db2.gz SDAKTBKZCWDDOK-MGPLVRAMSA-N 0 0 386.326 3.583 20 10 GHCDRN C[C@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756507842 1023689162 /nfs/dbraw/zinc/68/91/62/1023689162.db2.gz GDSPDQCAOLWUCI-LSDHHAIUSA-N 0 0 375.494 3.925 20 10 GHCDRN C[C@@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756553123 1023711617 /nfs/dbraw/zinc/71/16/17/1023711617.db2.gz JPBJUBVDZLXPEB-KGLIPLIRSA-N 0 0 379.457 3.598 20 10 GHCDRN C[C@@H]([NH2+]CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756556574 1023712489 /nfs/dbraw/zinc/71/24/89/1023712489.db2.gz XBHPXNLGLLGMIA-HUUCEWRRSA-N 0 0 393.484 3.988 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCN(c3cccc(OC)c3)C2)c1 ZINC000756588275 1023723889 /nfs/dbraw/zinc/72/38/89/1023723889.db2.gz GWYQIPJGLUDCPL-NVXWUHKLSA-N 0 0 384.476 3.507 20 10 GHCDRN CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000756606890 1023735295 /nfs/dbraw/zinc/73/52/95/1023735295.db2.gz FHSSVFPEMXUIAN-TVQRCGJNSA-N 0 0 395.135 3.975 20 10 GHCDRN C[C@@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756638839 1023748368 /nfs/dbraw/zinc/74/83/68/1023748368.db2.gz SHNYAZYSEUXECP-GFCCVEGCSA-N 0 0 375.391 3.615 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cc(Br)c(F)cc1[O-] ZINC000756645315 1023752313 /nfs/dbraw/zinc/75/23/13/1023752313.db2.gz IRHMXZCNLMVOAD-WDEREUQCSA-N 0 0 398.251 3.757 20 10 GHCDRN COC(=O)c1cccc(-c2nc(CN(C)c3ccc4c(c3)OCO4)cs2)c1 ZINC000756654613 1023756568 /nfs/dbraw/zinc/75/65/68/1023756568.db2.gz JYXNWYUQRLREEX-UHFFFAOYSA-N 0 0 382.441 3.962 20 10 GHCDRN C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756664697 1023763628 /nfs/dbraw/zinc/76/36/28/1023763628.db2.gz OBWCWQOPXTUJRF-NSHDSACASA-N 0 0 378.812 3.966 20 10 GHCDRN C[C@H]([NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000756683134 1023772768 /nfs/dbraw/zinc/77/27/68/1023772768.db2.gz FVZXBZPROUEKIU-LIRRHRJNSA-N 0 0 378.875 3.909 20 10 GHCDRN C[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)c1cc(Br)c(F)cc1[O-] ZINC000756768685 1023808121 /nfs/dbraw/zinc/80/81/21/1023808121.db2.gz GCMXIFDEKFRXIQ-SNVBAGLBSA-N 0 0 380.261 3.855 20 10 GHCDRN CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@H](c1ccc(C)cc1)n1cncn1 ZINC000756770105 1023808143 /nfs/dbraw/zinc/80/81/43/1023808143.db2.gz QRMWZIJFOJFDFE-ZRCAFCQKSA-N 0 0 395.463 3.919 20 10 GHCDRN C[C@@H]1C[C@H](Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)c2c1c(F)ccc2O ZINC000756802177 1023819552 /nfs/dbraw/zinc/81/95/52/1023819552.db2.gz FURUKCORPZRTJP-ABAIWWIYSA-N 0 0 389.858 3.781 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756865294 1023840232 /nfs/dbraw/zinc/84/02/32/1023840232.db2.gz PTZAVSFYMJKZJE-XXFAHNHDSA-N 0 0 384.785 3.919 20 10 GHCDRN CCC(=O)c1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1F ZINC000757009646 1023906528 /nfs/dbraw/zinc/90/65/28/1023906528.db2.gz WQKZLPYSPDMCCH-UHFFFAOYSA-N 0 0 398.478 3.557 20 10 GHCDRN CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)N2CCc3ncccc32)C1 ZINC000830616821 1024020369 /nfs/dbraw/zinc/02/03/69/1024020369.db2.gz VFWJCDXHZHWLFW-UHFFFAOYSA-N 0 0 379.460 3.578 20 10 GHCDRN [O-]c1c(F)cccc1C[NH+]1CCC2(CC1)COCCN2Cc1ccc(F)cc1 ZINC001138125143 1024169058 /nfs/dbraw/zinc/16/90/58/1024169058.db2.gz JNYYWCXPJJVQDM-UHFFFAOYSA-N 0 0 388.458 3.537 20 10 GHCDRN COc1cccc(-c2nn(C)c3c2[C@H]2C[N@H+](Cc4cccc(F)c4[O-])C[C@H]2C3)c1 ZINC001138125031 1024169844 /nfs/dbraw/zinc/16/98/44/1024169844.db2.gz HNFKXRDTVGCJCC-AEFFLSMTSA-N 0 0 393.462 3.712 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc(CCOc2ccccc2)n1CC1CC1 ZINC000830866824 1024200855 /nfs/dbraw/zinc/20/08/55/1024200855.db2.gz ANKWXVFGLDWEJP-UHFFFAOYSA-N 0 0 378.476 3.652 20 10 GHCDRN C/C(=C\c1ccc(Br)o1)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC001138152165 1024247549 /nfs/dbraw/zinc/24/75/49/1024247549.db2.gz BOBCQFQVYVFMAH-PFEDMVJOSA-N 0 0 380.238 3.604 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccc(Br)cc1Cl ZINC001138153155 1024249028 /nfs/dbraw/zinc/24/90/28/1024249028.db2.gz ZDDRHWWDKARZAL-JTQLQIEISA-N 0 0 398.684 3.804 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc3c([nH]2)CCOC3)cc1 ZINC000837333188 1024354318 /nfs/dbraw/zinc/35/43/18/1024354318.db2.gz GOUXCPPVNFJURT-UHFFFAOYSA-N 0 0 379.460 3.589 20 10 GHCDRN CC(C)C(=O)N1CCC[C@]2(CN(Cc3ccc(N4CCCCC4)cc3)CCO2)C1 ZINC001138218739 1024389920 /nfs/dbraw/zinc/38/99/20/1024389920.db2.gz RZVHJADYDCKJLF-DEOSSOPVSA-N 0 0 399.579 3.526 20 10 GHCDRN C[C@H]1CC[C@@](C)(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1(C)C ZINC000837447194 1024464292 /nfs/dbraw/zinc/46/42/92/1024464292.db2.gz RUAXLMRWYOTAHT-NYHFZMIOSA-N 0 0 376.516 3.865 20 10 GHCDRN COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1c(C)n(C)c2ccccc12 ZINC001138252356 1024470764 /nfs/dbraw/zinc/47/07/64/1024470764.db2.gz DETOUGNESXDKFE-QGZVFWFLSA-N 0 0 387.524 3.554 20 10 GHCDRN Cc1cc(C(=O)COC(=O)C2(C(F)(F)F)CC2)c(C)n1-c1ccc(F)cn1 ZINC000837494266 1024503255 /nfs/dbraw/zinc/50/32/55/1024503255.db2.gz YRJCQBRAYYHZPY-UHFFFAOYSA-N 0 0 384.329 3.697 20 10 GHCDRN CC(C)(C)OC(=O)[C@@]1(C)CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000837627500 1024595222 /nfs/dbraw/zinc/59/52/22/1024595222.db2.gz VVLMDINIYLVCPL-QFIPXVFZSA-N 0 0 387.524 3.550 20 10 GHCDRN Cc1cc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c(C)n1C(C)C ZINC000837703750 1024647397 /nfs/dbraw/zinc/64/73/97/1024647397.db2.gz FZJGYVSSTINAKJ-UHFFFAOYSA-N 0 0 391.462 3.731 20 10 GHCDRN O=C(/C=C/Sc1ccccc1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837705629 1024647477 /nfs/dbraw/zinc/64/74/77/1024647477.db2.gz QVJMABDIHHPRRW-IZZDOVSWSA-N 0 0 390.455 3.724 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2nc(C3CC3)oc2C)c(C)n1-c1ccc(F)cn1 ZINC000837724135 1024665121 /nfs/dbraw/zinc/66/51/21/1024665121.db2.gz OEKHQWTTXWSJHO-UHFFFAOYSA-N 0 0 397.406 3.842 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCC(CO)(c3ccccc3)CC2)cc1 ZINC000837725068 1024666630 /nfs/dbraw/zinc/66/66/30/1024666630.db2.gz AGUNGKRQMPKLPT-UHFFFAOYSA-N 0 0 395.547 3.769 20 10 GHCDRN c1ccc(/N=N/c2ccc(OC[C@@H]3COCCOCCOCCO3)cc2)cc1 ZINC001229007653 1033229241 /nfs/dbraw/zinc/22/92/41/1033229241.db2.gz OIBIWNTXQCZXPA-JSMIYBGHSA-N 0 0 386.448 3.929 20 10 GHCDRN CN1CCCc2cc(CN3CC(F)(F)C[C@H]3CNC(=O)OC(C)(C)C)ccc21 ZINC001138359548 1024722285 /nfs/dbraw/zinc/72/22/85/1024722285.db2.gz TZEYTKHXVRUNTF-KRWDZBQOSA-N 0 0 395.494 3.803 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1CN1CCN(c2cc[nH+]cc2)CC1 ZINC001141366771 1024735431 /nfs/dbraw/zinc/73/54/31/1024735431.db2.gz YXHHIBOMQFMQJI-UHFFFAOYSA-N 0 0 382.689 3.525 20 10 GHCDRN CCc1ncnc2c1CC[N@H+](Cc1cc(Cl)cc(Br)c1[O-])CC2 ZINC001141369765 1024747105 /nfs/dbraw/zinc/74/71/05/1024747105.db2.gz XZQDVSVOMZFDGC-UHFFFAOYSA-N 0 0 396.716 3.761 20 10 GHCDRN CCN(CC)c1ccc(CN2CCN(C(=O)c3cccs3)CC2)c(OC)c1 ZINC001138388993 1024764740 /nfs/dbraw/zinc/76/47/40/1024764740.db2.gz DHJMDIZTGPYCDY-UHFFFAOYSA-N 0 0 387.549 3.561 20 10 GHCDRN CCN(CC)c1ccc(CN2CCN(C(=O)c3cccc(C)c3)CC2)c(OC)c1 ZINC001138388810 1024764808 /nfs/dbraw/zinc/76/48/08/1024764808.db2.gz FFDCIXHNVXJDJI-UHFFFAOYSA-N 0 0 395.547 3.808 20 10 GHCDRN Cc1cc(C(=O)Cn2nc3c(cc2=O)CCCC3)c(C)n1-c1cccc(F)c1 ZINC000831769299 1024837688 /nfs/dbraw/zinc/83/76/88/1024837688.db2.gz LFAFASWPPYTSTF-UHFFFAOYSA-N 0 0 379.435 3.552 20 10 GHCDRN COc1cc(C2(C(=O)NCc3cccc(Br)c3O)CC2)ccc1C ZINC001156792385 1033243690 /nfs/dbraw/zinc/24/36/90/1033243690.db2.gz MOUKMEZZMPGTBX-UHFFFAOYSA-N 0 0 390.277 3.820 20 10 GHCDRN CCOCCOc1ccc(Br)cc1NC(=O)C1=CC(=O)CS1 ZINC000831832643 1024919181 /nfs/dbraw/zinc/91/91/81/1024919181.db2.gz FMVCJCQNOWBDCJ-UHFFFAOYSA-N 0 0 386.267 3.884 20 10 GHCDRN Nc1ccc(CC(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC000831993152 1025099088 /nfs/dbraw/zinc/09/90/88/1025099088.db2.gz NRVHXCGYABZKOX-UHFFFAOYSA-N 0 0 392.330 3.899 20 10 GHCDRN COc1cc(F)cc(C[C@@H](C)NC(=O)NCCCSc2nccs2)c1 ZINC000838513837 1025185956 /nfs/dbraw/zinc/18/59/56/1025185956.db2.gz KXYCHUUIBFNVLU-GFCCVEGCSA-N 0 0 383.514 3.703 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)c1ccn(C)n1 ZINC000838579957 1025220286 /nfs/dbraw/zinc/22/02/86/1025220286.db2.gz WAEYJLOBHHKFMK-CABCVRRESA-N 0 0 389.931 3.870 20 10 GHCDRN Cc1ccncc1CNC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000838675667 1025285321 /nfs/dbraw/zinc/28/53/21/1025285321.db2.gz IJBMDTWOMZGXNC-UHFFFAOYSA-N 0 0 378.476 3.961 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CCC[C@@H]1C1CCCC1 ZINC000838746463 1025341628 /nfs/dbraw/zinc/34/16/28/1025341628.db2.gz IOWOVTWQIOBQNE-LJQANCHMSA-N 0 0 393.478 3.666 20 10 GHCDRN COC(=O)c1ccc(CNC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)nc1 ZINC001138808823 1025400038 /nfs/dbraw/zinc/40/00/38/1025400038.db2.gz VUGKKACOCFOEBO-UHFFFAOYSA-N 0 0 391.471 3.823 20 10 GHCDRN CCOC(=O)c1noc(CN(Cc2ccccc2O)[C@@H](C)c2ccccc2)n1 ZINC000838906575 1025433745 /nfs/dbraw/zinc/43/37/45/1025433745.db2.gz KUKFFARHNVXABJ-HNNXBMFYSA-N 0 0 381.432 3.715 20 10 GHCDRN C[C@H](NC(=O)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1)c1ccc(N(C)C)cc1 ZINC000832437043 1025558392 /nfs/dbraw/zinc/55/83/92/1025558392.db2.gz WOZMJWOCJGFJJA-DOTOQJQBSA-N 0 0 383.467 3.512 20 10 GHCDRN CC(C)c1scnc1NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839128155 1025623391 /nfs/dbraw/zinc/62/33/91/1025623391.db2.gz MZUSVUJIEOJWDZ-UHFFFAOYSA-N 0 0 396.463 3.703 20 10 GHCDRN C=COc1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000839148922 1025645876 /nfs/dbraw/zinc/64/58/76/1025645876.db2.gz SZOYVNUVRABHHP-UHFFFAOYSA-N 0 0 381.476 3.739 20 10 GHCDRN COc1ccc(-c2nccc(NCc3ccc(N4CCSCC4)cc3)n2)cc1 ZINC001162184926 1025654965 /nfs/dbraw/zinc/65/49/65/1025654965.db2.gz PSBZNJINGBYOPA-UHFFFAOYSA-N 0 0 392.528 3.739 20 10 GHCDRN C=COc1ccc(NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000839160337 1025669321 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COc1ccc(N2CC[C@H](NC(=O)Nc3ccn(C4CCCCC4)n3)C2)cc1 ZINC001327802402 1050281951 /nfs/dbraw/zinc/28/19/51/1050281951.db2.gz CYYGJDNLQBFJFU-INIZCTEOSA-N 0 0 383.496 3.797 20 10 GHCDRN Cc1cc(S(=O)(=O)NCc2ccc3c(c2)CCCN3C)ccc1C(F)(F)F ZINC001309108980 1050364181 /nfs/dbraw/zinc/36/41/81/1050364181.db2.gz VZAJVZXVWKFBAG-UHFFFAOYSA-N 0 0 398.450 3.875 20 10 GHCDRN FC(F)Oc1ccc(N2CCC[C@@H](Nc3ncnc4scnc43)C2)cc1 ZINC001328536946 1050537827 /nfs/dbraw/zinc/53/78/27/1050537827.db2.gz FKSXSKXWZHFDAX-LLVKDONJSA-N 0 0 377.420 3.769 20 10 GHCDRN CCCCN(C)S(=O)(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC001309440784 1050721275 /nfs/dbraw/zinc/72/12/75/1050721275.db2.gz HLDZSPLOKQKHJY-HNNXBMFYSA-N 0 0 387.977 3.643 20 10 GHCDRN CN(C)c1cc(F)c(CN[C@H](CO)c2cccc(Br)c2)cc1F ZINC001329139959 1050732198 /nfs/dbraw/zinc/73/21/98/1050732198.db2.gz HQMCCFBVMGQIKN-MRXNPFEDSA-N 0 0 385.252 3.617 20 10 GHCDRN Cc1cccc([C@H]2CCCN2C(=O)c2csc(Cc3ccc(N)cc3)n2)n1 ZINC001329512580 1050824968 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O=S(=O)(NCc1c(O)cccc1F)c1cc(Cl)ccc1C(F)(F)F ZINC001309879302 1051019716 /nfs/dbraw/zinc/01/97/16/1051019716.db2.gz OMTFAKJSQBEMDV-UHFFFAOYSA-N 0 0 383.750 3.682 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC001330864880 1051132881 /nfs/dbraw/zinc/13/28/81/1051132881.db2.gz PUOYDEQOILKUQS-IAGOWNOFSA-N 0 0 393.478 3.523 20 10 GHCDRN Cc1cc(CC(=O)N(C[C@H]2CCCO2)c2ccnnc2)c(C)n1-c1ccccc1 ZINC001331937065 1051418355 /nfs/dbraw/zinc/41/83/55/1051418355.db2.gz KMIYGUKFGCYKEM-JOCHJYFZSA-N 0 0 390.487 3.639 20 10 GHCDRN CN(C)c1cc(F)c([C@H]2NC(=O)c3cc(Br)ccc3N2)cc1F ZINC001333011063 1051631063 /nfs/dbraw/zinc/63/10/63/1051631063.db2.gz WPLKDCBRFGCUAD-OAHLLOKOSA-N 0 0 382.208 3.647 20 10 GHCDRN COCc1csc(CNC(=O)Nc2c(-c3ccccn3)nc3ccccn32)c1 ZINC001310898096 1051687449 /nfs/dbraw/zinc/68/74/49/1051687449.db2.gz BJSPUJSPPQTJQW-UHFFFAOYSA-N 0 0 393.472 3.926 20 10 GHCDRN COc1cc(F)c(Br)cc1NC(=O)NCc1c(O)cccc1F ZINC001310901509 1051690295 /nfs/dbraw/zinc/69/02/95/1051690295.db2.gz ZMEQECILVYJZKA-UHFFFAOYSA-N 0 0 387.180 3.763 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3nc4c(s3)CCC4(C)C)C2)cc1 ZINC001310904554 1051693812 /nfs/dbraw/zinc/69/38/12/1051693812.db2.gz JZZITPKSZGMOJM-ZDUSSCGKSA-N 0 0 386.521 3.776 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N[C@@H](c2cccs2)C2(CO)CCC2)cc1F ZINC001333722044 1051819869 /nfs/dbraw/zinc/81/98/69/1051819869.db2.gz NELOPKUSUREXOW-SFHVURJKSA-N 0 0 391.512 3.656 20 10 GHCDRN O=C(Nc1ccc2c(n1)CCCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001311185926 1051928968 /nfs/dbraw/zinc/92/89/68/1051928968.db2.gz UJVZTBAWJJFMDQ-SFHVURJKSA-N 0 0 381.476 3.879 20 10 GHCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1 ZINC001334630683 1051960077 /nfs/dbraw/zinc/96/00/77/1051960077.db2.gz BKUDWEXITNSHCN-MDNKFWRPSA-N 0 0 392.490 3.942 20 10 GHCDRN CC1(C)C[C@@H](C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1 ZINC001335775086 1052172034 /nfs/dbraw/zinc/17/20/34/1052172034.db2.gz BDIBWROHUIGVHZ-AWEZNQCLSA-N 0 0 382.451 3.578 20 10 GHCDRN 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COC[C@H]1CCN(c2nnc(C3CCCC3)n2Cc2ccc(N(C)C)cc2C)C1 ZINC001315916237 1053997452 /nfs/dbraw/zinc/99/74/52/1053997452.db2.gz LLBSBBSMYYQLTH-SFHVURJKSA-N 0 0 397.567 3.831 20 10 GHCDRN CN(CCC(F)(F)F)c1nnc(C2SC=CC2=O)n1C[C@H]1CCCCO1 ZINC001344540874 1054552800 /nfs/dbraw/zinc/55/28/00/1054552800.db2.gz AQTGSLMRENQQKD-LLVKDONJSA-N 0 0 390.431 3.670 20 10 GHCDRN COCCn1cc(CNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)cn1 ZINC001344598298 1054589819 /nfs/dbraw/zinc/58/98/19/1054589819.db2.gz GATJFWYNPBTQHS-UHFFFAOYSA-N 0 0 386.883 3.520 20 10 GHCDRN CO[C@@H]1CN(c2nnc(C3SC=CC3=O)n2Cc2cccs2)CC[C@@H]1C ZINC001344901980 1054792797 /nfs/dbraw/zinc/79/27/97/1054792797.db2.gz XAFVZXXCUUGJAC-SWLSCSKDSA-N 0 0 390.534 3.683 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)c2ccccc2N2CCCC2=O)C2CC2)cc1 ZINC001318983069 1054977162 /nfs/dbraw/zinc/97/71/62/1054977162.db2.gz BSXIATDZYLZHPT-UHFFFAOYSA-N 0 0 377.488 3.684 20 10 GHCDRN O=C(NCCCSc1nccs1)NCCc1coc(-c2ccccc2)n1 ZINC001319100954 1055037844 /nfs/dbraw/zinc/03/78/44/1055037844.db2.gz FBYMIICOLBQKAW-UHFFFAOYSA-N 0 0 388.518 3.822 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)c3csc(-c4ccccn4)n3)CC2)cc1 ZINC001319506515 1055295973 /nfs/dbraw/zinc/29/59/73/1055295973.db2.gz LWSBGSDFCOPGQA-UHFFFAOYSA-N 0 0 394.500 3.566 20 10 GHCDRN CCOc1ccc(N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)cc1 ZINC001319612142 1055359276 /nfs/dbraw/zinc/35/92/76/1055359276.db2.gz JZMXDPYEFDAARV-UHFFFAOYSA-N 0 0 378.476 3.766 20 10 GHCDRN Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(N3CCN(C)CC3)c(F)c2)s1 ZINC001319822323 1055490020 /nfs/dbraw/zinc/49/00/20/1055490020.db2.gz BJPGJFDFUYZTBL-OAHLLOKOSA-N 0 0 376.545 3.844 20 10 GHCDRN COc1cc([N+](=O)[O-])c(N2CCC3(CC2)OCCc2ccsc23)cc1OC ZINC001320006718 1055593663 /nfs/dbraw/zinc/59/36/63/1055593663.db2.gz YUAFZRONDFKJBS-UHFFFAOYSA-N 0 0 390.461 3.742 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)c3ccc(COC(C)C)cc3)CC2)cc1 ZINC001320394700 1055785778 /nfs/dbraw/zinc/78/57/78/1055785778.db2.gz OMKSQNIZYCDUNE-UHFFFAOYSA-N 0 0 382.504 3.973 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCCCCS(C)(=O)=O)c1 ZINC001320422898 1055797626 /nfs/dbraw/zinc/79/76/26/1055797626.db2.gz IPXLYYVCGYKQBP-UHFFFAOYSA-N 0 0 396.940 3.692 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)c3cc4cc(OC)ccc4[nH]3)CC2)cc1 ZINC001320749842 1055949256 /nfs/dbraw/zinc/94/92/56/1055949256.db2.gz AUPZHTHEHMSLQV-UHFFFAOYSA-N 0 0 379.460 3.538 20 10 GHCDRN C[C@@H](NC(=O)NCc1cccc(OCC(F)(F)F)n1)c1ccc(N(C)C)cc1 ZINC001320916929 1056014892 /nfs/dbraw/zinc/01/48/92/1056014892.db2.gz QQZURYRQYFTRAE-CYBMUJFWSA-N 0 0 396.413 3.649 20 10 GHCDRN Cc1nc(Br)ccc1NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001321039289 1056066638 /nfs/dbraw/zinc/06/66/38/1056066638.db2.gz GBUVEZCQICJWJZ-UHFFFAOYSA-N 0 0 393.304 3.656 20 10 GHCDRN CC(=O)N1CCC[C@@H](CNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)C1 ZINC001321058839 1056074156 /nfs/dbraw/zinc/07/41/56/1056074156.db2.gz VOGDPQHVQNFOKI-KRWDZBQOSA-N 0 0 387.911 3.736 20 10 GHCDRN COc1ccc(Br)c(C(=O)Nc2c3nonc3ccc2Cl)c1 ZINC001321103534 1056095311 /nfs/dbraw/zinc/09/53/11/1056095311.db2.gz OQILTUCGNSJDHH-UHFFFAOYSA-N 0 0 382.601 3.900 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001353909742 1056121942 /nfs/dbraw/zinc/12/19/42/1056121942.db2.gz ARJSHAREJHZQDS-LEWJYISDSA-N 0 0 379.460 3.957 20 10 GHCDRN O=C(NC1CCOCC1)c1ccc(NCc2ccc(N3CCCC3)cc2)cc1 ZINC001321296798 1056213702 /nfs/dbraw/zinc/21/37/02/1056213702.db2.gz SPDGZCHDMMDVND-UHFFFAOYSA-N 0 0 379.504 3.808 20 10 GHCDRN COc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)ccn1 ZINC001321912148 1056441962 /nfs/dbraw/zinc/44/19/62/1056441962.db2.gz GSCCTHQTWGFOHM-UHFFFAOYSA-N 0 0 382.391 3.677 20 10 GHCDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c2nonc2ccc1Cl ZINC001322264828 1056596507 /nfs/dbraw/zinc/59/65/07/1056596507.db2.gz ZIWQZOFAEXVVMO-MRVPVSSYSA-N 0 0 378.797 3.904 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)COc2ccccc2Br)cc1 ZINC001354540611 1056758901 /nfs/dbraw/zinc/75/89/01/1056758901.db2.gz GOATWKFXMIWWMY-UHFFFAOYSA-N 0 0 391.309 3.991 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)c1 ZINC001200702781 1056767676 /nfs/dbraw/zinc/76/76/76/1056767676.db2.gz GWKPGGPDOFAYJS-HNNXBMFYSA-N 0 0 399.329 3.856 20 10 GHCDRN O=C(NCc1ccccc1)[C@H](Cc1ccccc1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001200714634 1056797285 /nfs/dbraw/zinc/79/72/85/1056797285.db2.gz MJHUPCFZNAFXGX-NRFANRHFSA-N 0 0 396.437 3.688 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CCO[C@H](c2ccccc2)O1 ZINC000848224421 1056910792 /nfs/dbraw/zinc/91/07/92/1056910792.db2.gz BEQVAZSSZIJGAJ-HYVJGQCMSA-N 0 0 382.504 3.613 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)c3cc(C)nn3C(CC)CC)CC2)cc1 ZINC001323451351 1056971894 /nfs/dbraw/zinc/97/18/94/1056971894.db2.gz GWIBIFIDDACPJF-UHFFFAOYSA-N 0 0 384.524 3.914 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCOC[C@H]2[C@H]2CCCO2)c1 ZINC001323450475 1056971951 /nfs/dbraw/zinc/97/19/51/1056971951.db2.gz UBLMKZQQFMMPIX-VQTJNVASSA-N 0 0 388.895 3.768 20 10 GHCDRN O=C(Nc1c2nonc2ccc1Cl)c1sc(N2CCCC2)nc1Cl ZINC001323481982 1056975955 /nfs/dbraw/zinc/97/59/55/1056975955.db2.gz FRQIEXYCKOJREH-UHFFFAOYSA-N 0 0 384.248 3.839 20 10 GHCDRN CCN1C[C@@H](CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)OC1=O ZINC000848426020 1057081161 /nfs/dbraw/zinc/08/11/61/1057081161.db2.gz CILRPSVYPRWCBC-IRXDYDNUSA-N 0 0 387.505 3.662 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CC[C@@H](N3CCCC3=O)C2)c1 ZINC001324547192 1057160835 /nfs/dbraw/zinc/16/08/35/1057160835.db2.gz AISFLUUTGBJWBX-QGZVFWFLSA-N 0 0 385.895 3.584 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)[C@H]3CCc4cc(OC)ccc4C3)CC2)cc1 ZINC001355446819 1057164004 /nfs/dbraw/zinc/16/40/04/1057164004.db2.gz UHWULRPTYUJTTJ-FQEVSTJZSA-N 0 0 394.515 3.548 20 10 GHCDRN COc1cc(Br)cc([C@H](C)[NH2+]CC2(CO)CC3(CCC3)C2)c1O ZINC000848549784 1057171713 /nfs/dbraw/zinc/17/17/13/1057171713.db2.gz UGCNXWRKBCTRQH-LBPRGKRZSA-N 0 0 384.314 3.757 20 10 GHCDRN COC(=O)Cc1ccccc1C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000848573297 1057187690 /nfs/dbraw/zinc/18/76/90/1057187690.db2.gz SELJCFLVPWNPEU-LLVKDONJSA-N 0 0 396.256 3.860 20 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ZINC001325858856 1057374635 /nfs/dbraw/zinc/37/46/35/1057374635.db2.gz DJOLIZARSBWLTM-MRXNPFEDSA-N 0 0 387.911 3.865 20 10 GHCDRN CCc1cccc(CN(C)CC(=O)Nc2ccccc2Br)c1O ZINC000848879850 1057391418 /nfs/dbraw/zinc/39/14/18/1057391418.db2.gz FHSYJGNPVXUKEB-UHFFFAOYSA-N 0 0 377.282 3.788 20 10 GHCDRN COc1ccc2c(c1)c(C(=O)OCC(=O)c1ccc(O)c(O)c1)c(C)n2C1CC1 ZINC001326579147 1057515623 /nfs/dbraw/zinc/51/56/23/1057515623.db2.gz FDOIEYSIUMEKLA-UHFFFAOYSA-N 0 0 395.411 3.744 20 10 GHCDRN COc1ccc(N2CCN(C(=O)CCOc3ccccc3C(C)C)CC2)cc1 ZINC001356448521 1057515856 /nfs/dbraw/zinc/51/58/56/1057515856.db2.gz XKSLRYFZLNVAIQ-UHFFFAOYSA-N 0 0 382.504 3.936 20 10 GHCDRN O=C(Cc1ccc(O)c(O)c1)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC001440505722 1058526773 /nfs/dbraw/zinc/52/67/73/1058526773.db2.gz BDIFSYSGVLFDDC-UHFFFAOYSA-N 0 0 377.400 3.923 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCO[C@@H](c2ccccc2)O1 ZINC001440712074 1058594070 /nfs/dbraw/zinc/59/40/70/1058594070.db2.gz JJSHAJBSFSBORX-FYYLOGMGSA-N 0 0 380.488 3.750 20 10 GHCDRN Cc1cc(CC(=O)NCCC(=O)N2CCCCCC2)c(C)n1-c1ccccc1 ZINC001442499807 1058969622 /nfs/dbraw/zinc/96/96/22/1058969622.db2.gz XPRRGMZIFZXMBS-UHFFFAOYSA-N 0 0 381.520 3.546 20 10 GHCDRN CC1(C)C[C@H]1CNC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC001443770117 1059199353 /nfs/dbraw/zinc/19/93/53/1059199353.db2.gz RNLZCODFGQBAKE-GRRFOWRYSA-N 0 0 392.521 3.579 20 10 GHCDRN CCO[C@@H]1C[C@@H](NC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)C12CCC2 ZINC001444273605 1059297437 /nfs/dbraw/zinc/29/74/37/1059297437.db2.gz AXSQZPRGYICIKS-NHCUHLMSSA-N 0 0 380.488 3.984 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC001444911209 1059412205 /nfs/dbraw/zinc/41/22/05/1059412205.db2.gz YNNLHTROUIYGCV-LYLBAIIYSA-N 0 0 393.531 3.957 20 10 GHCDRN CC(C)(C)OC(=O)[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)C(C)(C)C ZINC001445900330 1059650866 /nfs/dbraw/zinc/65/08/66/1059650866.db2.gz JCJBQWZIBSLOFS-GOSISDBHSA-N 0 0 375.509 3.891 20 10 GHCDRN C[C@H](NC(=O)C[C@H]1CCNc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC001340192444 1059753486 /nfs/dbraw/zinc/75/34/86/1059753486.db2.gz WWMAAAIEJRHELS-PKOBYXMFSA-N 0 0 379.504 3.690 20 10 GHCDRN CCn1c(C2Sc3ncccc3C2=O)nnc1N1CC[C@]2(CC2(F)F)C1 ZINC001340356780 1059886358 /nfs/dbraw/zinc/88/63/58/1059886358.db2.gz HBRGPSBFWYUNNI-INIZCTEOSA-N 0 0 377.420 3.516 20 10 GHCDRN CCCN1CCCN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1=O ZINC001447757550 1060022959 /nfs/dbraw/zinc/02/29/59/1060022959.db2.gz KVQGFBUVDTUMJQ-UHFFFAOYSA-N 0 0 387.911 3.832 20 10 GHCDRN CCOC(=O)CN1c2ccccc2/C(=C\c2ccc(N3CCCC3)cc2)C1=O ZINC001341133829 1060438951 /nfs/dbraw/zinc/43/89/51/1060438951.db2.gz QELGIAHRUPEHSX-HMMYKYKNSA-N 0 0 376.456 3.737 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cccc(Br)c1N ZINC001451669504 1060811436 /nfs/dbraw/zinc/81/14/36/1060811436.db2.gz NQPJWWZLRKXOPX-CYBMUJFWSA-N 0 0 390.325 3.767 20 10 GHCDRN COC(=O)CC[C@@H](CC1CCCCC1)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001451741881 1060828749 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Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCOc2ccc(F)cc2)c1 ZINC001464110042 1064828537 /nfs/dbraw/zinc/82/85/37/1064828537.db2.gz GYNSOMWTYFXGCR-UHFFFAOYSA-N 0 0 380.419 3.855 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@]2(CCOC2)Oc2ccccc21 ZINC001352178220 1064907831 /nfs/dbraw/zinc/90/78/31/1064907831.db2.gz BOGVPBRCCVICRW-CVDCTZTESA-N 0 0 396.487 3.997 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@]2(CCOC2)Oc2ccccc21 ZINC001352178222 1064907896 /nfs/dbraw/zinc/90/78/96/1064907896.db2.gz BOGVPBRCCVICRW-XXBNENTESA-N 0 0 396.487 3.997 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000847245599 1064948738 /nfs/dbraw/zinc/94/87/38/1064948738.db2.gz JQUGXYIQUFSYIJ-DYVFJYSZSA-N 0 0 386.414 3.570 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCO[C@@H]2C(F)(F)F)ccc1C ZINC001300035426 1065077550 /nfs/dbraw/zinc/07/75/50/1065077550.db2.gz UYMAZAFLEFTLDL-GOSISDBHSA-N 0 0 380.366 3.576 20 10 GHCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(Cl)c2N)cc1 ZINC001464607338 1065108270 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GHCDRN O=C(Nc1ccc(F)cc1I)N1Cc2cccc(O)c2C1 ZINC001465808891 1065871207 /nfs/dbraw/zinc/87/12/07/1065871207.db2.gz KLAHGCDJBDGKKU-UHFFFAOYSA-N 0 0 398.175 3.684 20 10 GHCDRN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1O ZINC001465844096 1065895173 /nfs/dbraw/zinc/89/51/73/1065895173.db2.gz DBGKHZCMMSHDHT-OAQYLSRUSA-N 0 0 378.513 3.928 20 10 GHCDRN CC[C@@H](CO)N1CCN(C(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)CC1 ZINC001466194380 1066026980 /nfs/dbraw/zinc/02/69/80/1066026980.db2.gz VJQTVKYREXKABK-NRFANRHFSA-N 0 0 397.563 3.746 20 10 GHCDRN CCOCCOC1CN(C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C1 ZINC001466457543 1066163303 /nfs/dbraw/zinc/16/33/03/1066163303.db2.gz PAUBGOWCCAGLOS-UHFFFAOYSA-N 0 0 390.911 3.554 20 10 GHCDRN CN1C(=O)C[C@H](C(=O)NCc2cc(Cl)ccc2O)[C@@H]1c1cccc(Cl)c1 ZINC001300396216 1066210168 /nfs/dbraw/zinc/21/01/68/1066210168.db2.gz LRFXJVCKEHDUAV-YJBOKZPZSA-N 0 0 393.270 3.535 20 10 GHCDRN COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001466613491 1066213556 /nfs/dbraw/zinc/21/35/56/1066213556.db2.gz FLDVZXPZDUONBH-HNNXBMFYSA-N 0 0 399.468 3.607 20 10 GHCDRN Cc1cnc(OC(C)C)c(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC001466640073 1066227202 /nfs/dbraw/zinc/22/72/02/1066227202.db2.gz SPEKDNCFBXBEEB-QGZVFWFLSA-N 0 0 398.507 3.897 20 10 GHCDRN Cc1cc(C(=O)N[C@@]2(C(=O)OC(C)(C)C)CCOC2)c(C)n1-c1cccc(C)c1 ZINC001300415230 1066271789 /nfs/dbraw/zinc/27/17/89/1066271789.db2.gz YIYXMYPOIXAZBV-QHCPKHFHSA-N 0 0 398.503 3.633 20 10 GHCDRN CCN(C(=O)/C=C/c1cccnc1C)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC001357522425 1067144922 /nfs/dbraw/zinc/14/49/22/1067144922.db2.gz FYOUHJKZFUGWDZ-IZZDOVSWSA-N 0 0 398.406 3.750 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)C(C)(C)c3ccc(F)cc3F)CC2)cc1 ZINC001358140309 1067412229 /nfs/dbraw/zinc/41/22/29/1067412229.db2.gz JWXFAXGRBGTXQT-UHFFFAOYSA-N 0 0 388.458 3.990 20 10 GHCDRN COC(=O)[C@](C)(NC(=O)Cc1cc(C)n(-c2ccccc2)c1C)c1ccccc1 ZINC001358373168 1067503586 /nfs/dbraw/zinc/50/35/86/1067503586.db2.gz NDYZYKUHGJGLIT-XMMPIXPASA-N 0 0 390.483 3.841 20 10 GHCDRN C[C@@H]1CCn2cc(C(=O)N(Cc3ccco3)Cc3ccc(N(C)C)cc3)nc2C1 ZINC001358434732 1067523491 /nfs/dbraw/zinc/52/34/91/1067523491.db2.gz ZXCBIUPTFXPXDL-QGZVFWFLSA-N 0 0 392.503 3.967 20 10 GHCDRN CC[C@@H](NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C)[C@@H](C)O ZINC001467993030 1067556953 /nfs/dbraw/zinc/55/69/53/1067556953.db2.gz UOQCRZCAWSWYOD-CXAGYDPISA-N 0 0 379.298 3.746 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NC[C@H]2CC(c3ccc(C)cc3)=NO2)cc1 ZINC001468121448 1067602242 /nfs/dbraw/zinc/60/22/42/1067602242.db2.gz KIKCBOLHKWKIHF-OAQYLSRUSA-N 0 0 394.519 3.834 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1F ZINC001477846939 1078591411 /nfs/dbraw/zinc/59/14/11/1078591411.db2.gz UPMUARKDJIMXSE-QGZVFWFLSA-N 0 0 393.503 3.547 20 10 GHCDRN CO[C@H]1C[C@@H](NC(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)C12CCC2 ZINC001468835148 1067905059 /nfs/dbraw/zinc/90/50/59/1067905059.db2.gz LXAWYHNGWBTQJV-RTWAWAEBSA-N 0 0 380.488 3.902 20 10 GHCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC001468918768 1067927520 /nfs/dbraw/zinc/92/75/20/1067927520.db2.gz GXLSWQLOKSEFQE-CYBMUJFWSA-N 0 0 377.847 3.653 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H](O)c1ccc(Cl)cc1F ZINC001469103498 1067979223 /nfs/dbraw/zinc/97/92/23/1067979223.db2.gz INXRSPQBDZDOAA-YJYMSZOUSA-N 0 0 378.875 3.634 20 10 GHCDRN C[C@@]1(C(=O)NCc2ccc3cccnc3c2O)CC(c2ccccc2Cl)=NO1 ZINC001469247662 1068057993 /nfs/dbraw/zinc/05/79/93/1068057993.db2.gz DIXPTDJABGUQNZ-NRFANRHFSA-N 0 0 395.846 3.793 20 10 GHCDRN O=C(NCc1ccc2cccnc2c1O)c1cnc(OCC2CC2)c(Cl)c1 ZINC001469247633 1068058135 /nfs/dbraw/zinc/05/81/35/1068058135.db2.gz DAVVMNDOUGSTLV-UHFFFAOYSA-N 0 0 383.835 3.708 20 10 GHCDRN CCO[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C12CCCCC2 ZINC001477981977 1078656775 /nfs/dbraw/zinc/65/67/75/1078656775.db2.gz YLQAXHZFBYILOD-LEWJYISDSA-N 0 0 383.536 3.990 20 10 GHCDRN Cc1cc(C(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC001469558012 1068223754 /nfs/dbraw/zinc/22/37/54/1068223754.db2.gz MKBCPRSLCKJXOR-QRVBRYPASA-N 0 0 383.536 3.630 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](Cc2ccccc2)c2ncon2)c(C)n1-c1ccccn1 ZINC001469604592 1068252248 /nfs/dbraw/zinc/25/22/48/1068252248.db2.gz YZGYJQVOLOYMQC-IBGZPJMESA-N 0 0 387.443 3.586 20 10 GHCDRN CC(C)CCN(C)c1nnc([C@H]2CCOC2)n1CCCSc1nccs1 ZINC001359918690 1068257147 /nfs/dbraw/zinc/25/71/47/1068257147.db2.gz MZBKCTMZPCJXIX-HNNXBMFYSA-N 0 0 395.598 3.903 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H]1CCCN(Cc2cc(Br)ccc2O)C1 ZINC000768351237 1068268323 /nfs/dbraw/zinc/26/83/23/1068268323.db2.gz IZJOUAQWIBIJRK-AWEZNQCLSA-N 0 0 385.302 3.644 20 10 GHCDRN COc1ccc(N2CCN(C(=O)N[C@H]3CCC(C)(C)C[C@H]3C)CC2)cc1F ZINC001478104296 1078719778 /nfs/dbraw/zinc/71/97/78/1078719778.db2.gz XCLLBOUWFVHFKH-QAPCUYQASA-N 0 0 377.504 3.881 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)c1 ZINC001470257103 1068649112 /nfs/dbraw/zinc/64/91/12/1068649112.db2.gz DSCHJUYLHGRGSW-KRWDZBQOSA-N 0 0 382.460 3.856 20 10 GHCDRN CC(C)[C@H](CO)CNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC001478529136 1078906882 /nfs/dbraw/zinc/90/68/82/1078906882.db2.gz WQZDQRYFKNXMPE-WBVHZDCISA-N 0 0 381.948 3.640 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC1C[C@H]2CC[C@@H](C1)S2 ZINC001470555155 1072623370 /nfs/dbraw/zinc/62/33/70/1072623370.db2.gz BMQMHRGFXZNWGP-SYKANANRSA-N 0 0 375.582 3.965 20 10 GHCDRN Cc1cc(C(=O)Nc2ccns2)c(C)n1-c1ccc(Br)cn1 ZINC001470764752 1072725293 /nfs/dbraw/zinc/72/52/93/1072725293.db2.gz GZASPFVGUPPFNK-UHFFFAOYSA-N 0 0 377.267 3.960 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H](C)Cc3ccc(C)cc3)C2)cc1 ZINC001470773935 1072730838 /nfs/dbraw/zinc/73/08/38/1072730838.db2.gz RZHYJHPCECVSRP-ICSRJNTNSA-N 0 0 381.520 3.855 20 10 GHCDRN Cc1cc(CCNC(=O)[C@](C)(O)c2ccc(F)cc2)c(C)n1-c1ccccc1 ZINC001470849515 1072769257 /nfs/dbraw/zinc/76/92/57/1072769257.db2.gz HMPXJRRHIUDZPZ-HSZRJFAPSA-N 0 0 380.463 3.800 20 10 GHCDRN CC[C@@H]1CCCC[C@@H]1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001478733871 1078969764 /nfs/dbraw/zinc/96/97/64/1078969764.db2.gz ZFVLCORNZFUJHT-NHCUHLMSSA-N 0 0 387.568 3.911 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)CCOCc3ccccc3)C2)cc1 ZINC001478770299 1078982202 /nfs/dbraw/zinc/98/22/02/1078982202.db2.gz BOBHSDCKOXJHIV-AZUAARDMSA-N 0 0 397.519 3.569 20 10 GHCDRN Cc1cc(CNC(=O)[C@H](C)NC(=O)OC(C)(C)C)c(C)n1-c1cccc(C)c1 ZINC001471014067 1072883770 /nfs/dbraw/zinc/88/37/70/1072883770.db2.gz PNQNPXBZXOEUOP-INIZCTEOSA-N 0 0 385.508 3.932 20 10 GHCDRN CCOC(OCC)[C@@H](C)NC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001471036084 1072895145 /nfs/dbraw/zinc/89/51/45/1072895145.db2.gz VWVCNSMBXHCCON-QGZVFWFLSA-N 0 0 387.524 3.989 20 10 GHCDRN CO[C@@H]1CN(C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)[C@@](C)(CO)C1 ZINC001471080610 1072914857 /nfs/dbraw/zinc/91/48/57/1072914857.db2.gz DBUNFHDFAWARFB-NZQKXSOJSA-N 0 0 384.520 3.829 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1CCC(C)(C)CO1 ZINC001471197180 1072963007 /nfs/dbraw/zinc/96/30/07/1072963007.db2.gz RFXLRCRGODJQBQ-HNNXBMFYSA-N 0 0 399.329 3.891 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NCc3cccc4ncccc34)CC2)cc1 ZINC001471256662 1072985868 /nfs/dbraw/zinc/98/58/68/1072985868.db2.gz QKFYEZSCSIMBTL-UHFFFAOYSA-N 0 0 390.487 3.665 20 10 GHCDRN Cc1cc(C(=O)N(CC2CC2)[C@@H](C(N)=O)C2CC2)c(C)n1-c1ccc(Cl)cc1 ZINC001471259878 1072987206 /nfs/dbraw/zinc/98/72/06/1072987206.db2.gz PQSDKGRNWUQIMA-HXUWFJFHSA-N 0 0 399.922 3.864 20 10 GHCDRN CC(C)(C)OC(=O)N1C[C@@H](CC(=O)NCc2cc(O)ccc2O)c2ccccc21 ZINC001471661914 1073171438 /nfs/dbraw/zinc/17/14/38/1073171438.db2.gz HCKVPCKCABBQGT-OAHLLOKOSA-N 0 0 398.459 3.643 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)NCCc1cccc2c1OC(F)(F)O2 ZINC001478996932 1079057409 /nfs/dbraw/zinc/05/74/09/1079057409.db2.gz OPMSGFAMQJJWGT-UHFFFAOYSA-N 0 0 392.402 3.878 20 10 GHCDRN CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)NCc2c(O)ccc3ccccc32)C1 ZINC001472085066 1073329138 /nfs/dbraw/zinc/32/91/38/1073329138.db2.gz KFUFPMTUUWQWEI-NRFANRHFSA-N 0 0 388.439 3.511 20 10 GHCDRN O=C(NCc1c(O)ccc2ccccc21)c1cc(F)c(N2CCOCC2)c(F)c1 ZINC001472085592 1073329287 /nfs/dbraw/zinc/32/92/87/1073329287.db2.gz WPHSKMNPRQVJTP-UHFFFAOYSA-N 0 0 398.409 3.590 20 10 GHCDRN Cc1cc(CCNC(=O)NC2CC3(C2)CO[C@@H](C)C3)c(C)n1-c1ccccc1 ZINC001479064325 1079089240 /nfs/dbraw/zinc/08/92/40/1079089240.db2.gz PJNNWWXWWULTCE-JVPSVYLMSA-N 0 0 381.520 3.893 20 10 GHCDRN CO[C@]1(CNC(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)CCSC1 ZINC001479100635 1079102296 /nfs/dbraw/zinc/10/22/96/1079102296.db2.gz VVVVUGKPIDRDGB-NRFANRHFSA-N 0 0 387.549 3.724 20 10 GHCDRN O=C(N[C@@H]1CSc2ccc(Br)cc21)c1c(F)ccc(O)c1O ZINC001472554736 1073549326 /nfs/dbraw/zinc/54/93/26/1073549326.db2.gz UIVJCFPEJJBLMY-SNVBAGLBSA-N 0 0 384.226 3.576 20 10 GHCDRN COc1cc(N(C)Cc2ccc(N3CCOCC3)cc2)c(Cl)cc1[N+](=O)[O-] ZINC001472646888 1073594030 /nfs/dbraw/zinc/59/40/30/1073594030.db2.gz XLMVBXKGDDAKNV-UHFFFAOYSA-N 0 0 391.855 3.730 20 10 GHCDRN COc1ccc(N(C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)cc1OC ZINC001473133136 1073797117 /nfs/dbraw/zinc/79/71/17/1073797117.db2.gz PPEHGILTKOLVFH-OAHLLOKOSA-N 0 0 386.275 3.887 20 10 GHCDRN COC(=O)COc1ccc(N(C)Cc2coc(-c3ccccc3OC)n2)cc1 ZINC001473372702 1073938619 /nfs/dbraw/zinc/93/86/19/1073938619.db2.gz CZDRLHDRUOKERF-UHFFFAOYSA-N 0 0 382.416 3.538 20 10 GHCDRN C[C@@H]1CCCC[C@H]1N(C)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001473382954 1073942770 /nfs/dbraw/zinc/94/27/70/1073942770.db2.gz BRCIULNHIJCNOU-QVKFZJNVSA-N 0 0 390.483 3.911 20 10 GHCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2CC(=O)Nc1cccc2nsnc21 ZINC001473569753 1074022647 /nfs/dbraw/zinc/02/26/47/1074022647.db2.gz KHFVNVHUEDRGBI-OAHLLOKOSA-N 0 0 396.516 3.973 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC001473968355 1074221422 /nfs/dbraw/zinc/22/14/22/1074221422.db2.gz SJKDSMBSRILUHJ-UHFFFAOYSA-N 0 0 376.229 3.769 20 10 GHCDRN CCN(CC)c1ccc(CNCC(F)(F)CNC(=O)OC(C)(C)C)cc1F ZINC001474118847 1074269116 /nfs/dbraw/zinc/26/91/16/1074269116.db2.gz USROMGDZWOJCLM-UHFFFAOYSA-N 0 0 389.462 3.922 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@](C)(CO)Cc2ccccc2F)c1 ZINC001474225135 1074299603 /nfs/dbraw/zinc/29/96/03/1074299603.db2.gz USDPXNQXJUOKGJ-GOSISDBHSA-N 0 0 382.273 3.686 20 10 GHCDRN C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC001474226336 1074300292 /nfs/dbraw/zinc/30/02/92/1074300292.db2.gz BTWCHWOHMRYVEL-QGZVFWFLSA-N 0 0 386.236 3.516 20 10 GHCDRN COc1ccc(C[C@@H]2CCCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC001474616329 1074486555 /nfs/dbraw/zinc/48/65/55/1074486555.db2.gz MOLNEPAFQFJXLP-KRWDZBQOSA-N 0 0 386.448 3.915 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1cc(C)ccc1C ZINC001475026823 1074692907 /nfs/dbraw/zinc/69/29/07/1074692907.db2.gz YLRVXGNVWIHPQT-UHFFFAOYSA-N 0 0 398.322 3.982 20 10 GHCDRN CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cccc2nonc21 ZINC001475203269 1074783403 /nfs/dbraw/zinc/78/34/03/1074783403.db2.gz OGCWZDIRMHEHIW-UHFFFAOYSA-N 0 0 395.440 3.627 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)c1cccc2c1CCCC2 ZINC001475403039 1074862841 /nfs/dbraw/zinc/86/28/41/1074862841.db2.gz UJDYAOWWMZHQQF-QGZVFWFLSA-N 0 0 386.561 3.849 20 10 GHCDRN Cc1cc(CNS(=O)(=O)C[C@@H]2CCC2(F)F)c(C)n1-c1cccc(C)c1 ZINC001475566310 1074915914 /nfs/dbraw/zinc/91/59/14/1074915914.db2.gz BUBKCQDQVYFUEM-KRWDZBQOSA-N 0 0 382.476 3.867 20 10 GHCDRN Cn1c2ccccc2c2cc(S(=O)(=O)NCc3c(O)cccc3F)ccc21 ZINC001475707256 1075003878 /nfs/dbraw/zinc/00/38/78/1075003878.db2.gz OPRDHBLOYWMIBQ-UHFFFAOYSA-N 0 0 384.432 3.655 20 10 GHCDRN CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1Cc1ncccc1N(C)C ZINC001495137509 1079385077 /nfs/dbraw/zinc/38/50/77/1079385077.db2.gz POLHSHPRCONPFN-INIZCTEOSA-N 0 0 394.523 3.643 20 10 GHCDRN NC(=O)N=Nc1ccc(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)cc1 ZINC001546275774 1079624519 /nfs/dbraw/zinc/62/45/19/1079624519.db2.gz LTFNKNSRDFHHOQ-UHFFFAOYSA-N 0 0 377.360 3.947 20 10 GHCDRN c1[nH]c2ncccc2c1C1=CCN(c2cc(-c3nn[nH]n3)nc3ccccc32)CC1 ZINC000735398416 599263754 /nfs/dbraw/zinc/26/37/54/599263754.db2.gz FMNQHTZPTMEZLI-UHFFFAOYSA-N 0 0 394.442 3.585 20 10 GHCDRN CC[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(-c4nn[nH]n4)cc3)c2C)C1 ZINC000736402531 598610050 /nfs/dbraw/zinc/61/00/50/598610050.db2.gz NGZDJLZAXUNKKT-MRXNPFEDSA-N 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837387274 /nfs/dbraw/zinc/38/72/74/837387274.db2.gz DTXLPTZQQNIWQE-INIZCTEOSA-N 0 0 385.445 3.527 20 10 GHCDRN Cc1ccc(CN(C)C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)nc1 ZINC000683492656 837406483 /nfs/dbraw/zinc/40/64/83/837406483.db2.gz RGIQCNDTWQOCBL-UHFFFAOYSA-N 0 0 390.531 3.770 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000173186071 837590455 /nfs/dbraw/zinc/59/04/55/837590455.db2.gz IWFOMZUZYWWYFJ-UHFFFAOYSA-N 0 0 382.851 3.835 20 10 GHCDRN Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173194881 837594334 /nfs/dbraw/zinc/59/43/34/837594334.db2.gz GZDFUGXYLICYBS-UHFFFAOYSA-N 0 0 384.524 3.580 20 10 GHCDRN Cc1c(C(=O)N2CCOc3cc(N(C)C)ccc32)cnn1-c1cccc(Cl)c1 ZINC000173195540 837595413 /nfs/dbraw/zinc/59/54/13/837595413.db2.gz AFGDIXFZTGNNHP-UHFFFAOYSA-N 0 0 396.878 3.939 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1ccc(OC(F)F)cc1 ZINC000173204141 837599306 /nfs/dbraw/zinc/59/93/06/837599306.db2.gz HCEXUKYUYOCWGO-UHFFFAOYSA-N 0 0 376.403 3.712 20 10 GHCDRN COc1cc(C(=O)NCc2cc(C)ccc2O)ccc1OCc1cscn1 ZINC001167293590 837670395 /nfs/dbraw/zinc/67/03/95/837670395.db2.gz KNCPBCNZLXWMLE-UHFFFAOYSA-N 0 0 384.457 3.675 20 10 GHCDRN C[C@H](CSCc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000133642673 834465641 /nfs/dbraw/zinc/46/56/41/834465641.db2.gz KEIYPQRROLHFAE-GOSISDBHSA-N 0 0 384.545 3.709 20 10 GHCDRN Cc1cc(C(=O)NCc2c[nH]nc2C)c(C)n1-c1ccccc1Br ZINC000728191547 835089247 /nfs/dbraw/zinc/08/92/47/835089247.db2.gz ZMFXKCYKEFSOIO-UHFFFAOYSA-N 0 0 387.281 3.818 20 10 GHCDRN Cc1cc(C(F)(F)F)ncc1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000685667233 835289298 /nfs/dbraw/zinc/28/92/98/835289298.db2.gz BOCKKCSADKDFFJ-UHFFFAOYSA-N 0 0 380.370 3.906 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N(C)[C@H]3CCCc4c3cnn4C)cc2)CC1 ZINC000158565637 835438593 /nfs/dbraw/zinc/43/85/93/835438593.db2.gz SOMWBFHXQZNKDV-NRFANRHFSA-N 0 0 395.551 3.875 20 10 GHCDRN CCc1ccccc1N1C(=O)C(=Cc2ccc3c(c2)CCCN3C)NC1=S ZINC000748082331 835477900 /nfs/dbraw/zinc/47/79/00/835477900.db2.gz CPJOGBXLHKBIMI-NBVRZTHBSA-N 0 0 377.513 3.894 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(Cl)cc1 ZINC000052853978 835722721 /nfs/dbraw/zinc/72/27/21/835722721.db2.gz BVNSYCPYZXGDQG-UHFFFAOYSA-N 0 0 385.895 3.927 20 10 GHCDRN OC1CCN(c2ccc(CNc3ncc(C(F)(F)F)s3)cc2F)CC1 ZINC000276943753 844101332 /nfs/dbraw/zinc/10/13/32/844101332.db2.gz UNANJTOJBBPZDM-UHFFFAOYSA-N 0 0 375.391 3.874 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cc(N2CCNC2=O)ccc1Cl ZINC000471231786 836074237 /nfs/dbraw/zinc/07/42/37/836074237.db2.gz MXDDZMNUSCUQGS-UHFFFAOYSA-N 0 0 396.878 3.600 20 10 GHCDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000154895448 836137934 /nfs/dbraw/zinc/13/79/34/836137934.db2.gz XCLRBWFCCZCVGV-VGMNTSGFSA-N 0 0 396.535 3.674 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)[C@@H]3CC[C@H](Cc4ccccc4)O3)CC2)cc1 ZINC001125816994 836230217 /nfs/dbraw/zinc/23/02/17/836230217.db2.gz SUPKKTVJVZKYJB-PKTZIBPZSA-N 0 0 394.515 3.571 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000473278192 844142624 /nfs/dbraw/zinc/14/26/24/844142624.db2.gz HDKAAIKGKVUDTA-OALUTQOASA-N 0 0 381.520 3.532 20 10 GHCDRN COc1cccc([C@H]2CN(Cc3cc(Cl)cc(C(C)=O)c3O)CCO2)c1 ZINC000167511835 836248797 /nfs/dbraw/zinc/24/87/97/836248797.db2.gz AJMZPPZWDSNSPQ-LJQANCHMSA-N 0 0 375.852 3.830 20 10 GHCDRN COc1ccc(CCCNC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1OC ZINC000065123051 844145160 /nfs/dbraw/zinc/14/51/60/844145160.db2.gz WDJDXVOMJHUKGC-UHFFFAOYSA-N 0 0 393.487 3.869 20 10 GHCDRN COc1ccc2c(C)c(CCC(=O)N[C@@H](C)c3ccccc3O)c(=O)oc2c1 ZINC000827982057 836278228 /nfs/dbraw/zinc/27/82/28/836278228.db2.gz MISZMNJWNNUUIW-AWEZNQCLSA-N 0 0 381.428 3.626 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Nc3ccc4c(c3)C(=O)CCC4)CC2)cc1 ZINC000177302829 836298829 /nfs/dbraw/zinc/29/88/29/836298829.db2.gz ABFLFRGILNPIDQ-UHFFFAOYSA-N 0 0 393.487 3.958 20 10 GHCDRN Cc1cncc(/C=C\C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1 ZINC000255051153 836514596 /nfs/dbraw/zinc/51/45/96/836514596.db2.gz GAFYHKCBGWZCFK-GIVJRHHMSA-N 0 0 379.504 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/nfs/dbraw/zinc/82/64/56/836826456.db2.gz IYYQSEHACJWWIB-UHFFFAOYSA-N 0 0 385.471 3.915 20 10 GHCDRN CC(=O)NCc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1 ZINC000275558224 837232616 /nfs/dbraw/zinc/23/26/16/837232616.db2.gz DVOHFTDWUTYVEK-UHFFFAOYSA-N 0 0 382.508 3.831 20 10 GHCDRN Cc1cccc(C2(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)CC2)c1 ZINC000728713959 838005187 /nfs/dbraw/zinc/00/51/87/838005187.db2.gz DQJAMJFLEUILCV-UHFFFAOYSA-N 0 0 378.516 3.552 20 10 GHCDRN O=C(CC1CC[NH+](Cc2cc(Br)cc(F)c2[O-])CC1)N1CCCC1 ZINC000893966038 844293001 /nfs/dbraw/zinc/29/30/01/844293001.db2.gz FBTZYBRHBDALCO-UHFFFAOYSA-N 0 0 399.304 3.518 20 10 GHCDRN O=C(N[C@H]1CCCOc2ccccc21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000158668954 844305914 /nfs/dbraw/zinc/30/59/14/844305914.db2.gz LGIGUIYYPQITQX-ICSRJNTNSA-N 0 0 396.487 3.997 20 10 GHCDRN CCn1cc(N2C(=O)/C(=C\c3ccc4c(c3)CCCN4C)SC2=S)cn1 ZINC000255133490 838303494 /nfs/dbraw/zinc/30/34/94/838303494.db2.gz XOUUPKSPVOMMQI-LICLKQGHSA-N 0 0 384.530 3.691 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)cc1 ZINC000728738109 838637456 /nfs/dbraw/zinc/63/74/56/838637456.db2.gz FLRYTURLZAOACA-UHFFFAOYSA-N 0 0 378.480 3.948 20 10 GHCDRN Cc1cc(N2CC=C(c3ccc(Cl)nc3)CC2)n2nc(C(F)(F)F)nc2n1 ZINC000378403203 839035583 /nfs/dbraw/zinc/03/55/83/839035583.db2.gz NOWBLEIHPYMHFL-UHFFFAOYSA-N 0 0 394.788 3.794 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](C[C@@H](C)O)c1ccccc1 ZINC000155668994 839280805 /nfs/dbraw/zinc/28/08/05/839280805.db2.gz ZJGANBFIZVSJOP-NQIIRXRSSA-N 0 0 383.536 3.839 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)NC1(c2ccc(F)cc2)CCC1 ZINC000728750307 839296542 /nfs/dbraw/zinc/29/65/42/839296542.db2.gz FXZCRTVGCMYLMH-UHFFFAOYSA-N 0 0 383.467 3.541 20 10 GHCDRN CC[C@@H]1C[C@H](CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1 ZINC000378617478 839432591 /nfs/dbraw/zinc/43/25/91/839432591.db2.gz FDMOLFCQSVBHBJ-CRAIPNDOSA-N 0 0 396.478 3.968 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1cnccc1-c1ccccc1 ZINC000472781742 839618239 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COc1ccc(N2CCCN(Cc3ccn(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000743842633 868441064 /nfs/dbraw/zinc/44/10/64/868441064.db2.gz JDJZXZXJUORYSG-UHFFFAOYSA-N 0 0 380.467 3.732 20 10 GHCDRN COc1ccc(C)cc1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000743918999 868495494 /nfs/dbraw/zinc/49/54/94/868495494.db2.gz RKKOYFLFTSRBLV-JOCHJYFZSA-N 0 0 396.531 3.820 20 10 GHCDRN Cc1cc(C(=O)NCc2ccnc(-n3ccnc3)c2)c(C)n1-c1cccc(C)c1 ZINC000743956724 868503777 /nfs/dbraw/zinc/50/37/77/868503777.db2.gz WHHKURPZNPIXDR-UHFFFAOYSA-N 0 0 385.471 3.913 20 10 GHCDRN Cc1cc(C)c(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c(Cl)c1 ZINC000743955847 868503829 /nfs/dbraw/zinc/50/38/29/868503829.db2.gz LNAMXEOBWOTCAX-UHFFFAOYSA-N 0 0 386.879 3.796 20 10 GHCDRN CNC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1 ZINC000744052434 868556197 /nfs/dbraw/zinc/55/61/97/868556197.db2.gz CIXDKQGNOWBRAN-UHFFFAOYSA-N 0 0 377.444 3.715 20 10 GHCDRN C[C@H]1Cc2ccccc2N1CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000744280390 868727409 /nfs/dbraw/zinc/72/74/09/868727409.db2.gz LNPGAEJHALOZBR-SFHVURJKSA-N 0 0 378.520 3.537 20 10 GHCDRN CC(C)C[C@@H]1CC(=O)N(CN(Cc2ccc(N(C)C)cc2)CC(F)(F)F)C1 ZINC000744434915 868835376 /nfs/dbraw/zinc/83/53/76/868835376.db2.gz KBHMAYLZOWZRRM-QGZVFWFLSA-N 0 0 385.474 3.969 20 10 GHCDRN COc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)cc(Br)c1O ZINC000211101879 868904762 /nfs/dbraw/zinc/90/47/62/868904762.db2.gz SKEHAVMNMLJVGT-UKTHLTGXSA-N 0 0 397.294 3.620 20 10 GHCDRN Cc1cc(C(=O)N2CC(=O)Nc3cnccc32)c(C)n1-c1ccc(Cl)cc1 ZINC000744613555 868961231 /nfs/dbraw/zinc/96/12/31/868961231.db2.gz DIWSIEOLMHZPCQ-UHFFFAOYSA-N 0 0 380.835 3.741 20 10 GHCDRN CN1CCCc2cc(CNC(=O)c3ccn(-c4ccc(Cl)cc4)n3)ccc21 ZINC000857442562 882267033 /nfs/dbraw/zinc/26/70/33/882267033.db2.gz KNWMADKFDFUENO-UHFFFAOYSA-N 0 0 380.879 3.838 20 10 GHCDRN C[C@H]1Cc2ccccc2N1CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000744886161 869156567 /nfs/dbraw/zinc/15/65/67/869156567.db2.gz SMANKDSMHUIMAL-SFHVURJKSA-N 0 0 392.547 3.878 20 10 GHCDRN CCc1cccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000857455949 882272889 /nfs/dbraw/zinc/27/28/89/882272889.db2.gz JPHLVMSFGBVSMT-HNNXBMFYSA-N 0 0 375.419 3.644 20 10 GHCDRN COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3cccc(Cl)c3)CC2)cc1F ZINC000857464311 882277267 /nfs/dbraw/zinc/27/72/67/882277267.db2.gz BDPFKZFDLRZXAJ-CQSZACIVSA-N 0 0 392.858 3.604 20 10 GHCDRN C[C@H]([NH2+]Cc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)c1ccc(F)cc1[O-] ZINC000793576774 882282154 /nfs/dbraw/zinc/28/21/54/882282154.db2.gz YVILHCSWEGSIKR-XMHCIUCPSA-N 0 0 397.450 3.607 20 10 GHCDRN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C(F)(F)c1ccccc1 ZINC000857472249 882285163 /nfs/dbraw/zinc/28/51/63/882285163.db2.gz JBUMKVGQYQDICN-KRWDZBQOSA-N 0 0 394.849 3.918 20 10 GHCDRN COc1ccc(OCCNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1 ZINC000745358598 869501870 /nfs/dbraw/zinc/50/18/70/869501870.db2.gz HVTCTYOBEUDOBE-UHFFFAOYSA-N 0 0 385.508 3.760 20 10 GHCDRN COc1cccc(CNC(=O)N[C@@H](C)COc2ccc(C(C)(C)C)cc2)c1O ZINC000745719163 869761131 /nfs/dbraw/zinc/76/11/31/869761131.db2.gz GMGWRDWBUQNLCM-HNNXBMFYSA-N 0 0 386.492 3.965 20 10 GHCDRN Cc1c2ccccc2oc1[C@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000793628113 882341035 /nfs/dbraw/zinc/34/10/35/882341035.db2.gz REWNBSZVASUFJT-INIZCTEOSA-N 0 0 393.487 3.609 20 10 GHCDRN CC[C@H]1CN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCS1 ZINC000745800087 869825122 /nfs/dbraw/zinc/82/51/22/869825122.db2.gz OHGXIZBCKGGJGW-KRWDZBQOSA-N 0 0 399.507 3.794 20 10 GHCDRN C[C@H](NC(=O)C(=O)N[C@H](c1ccccc1)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000793634560 882344956 /nfs/dbraw/zinc/34/49/56/882344956.db2.gz QNRJHSGFNSAOPC-HTAPYJJXSA-N 0 0 393.531 3.978 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)N[C@H](Cc2nccn2C)c2ccccc2)cc1 ZINC000745912243 869880428 /nfs/dbraw/zinc/88/04/28/869880428.db2.gz PQMGPGZPRDUANO-OAQYLSRUSA-N 0 0 391.519 3.612 20 10 GHCDRN CCOc1ccc(N(CC)CC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 ZINC000746159735 870084887 /nfs/dbraw/zinc/08/48/87/870084887.db2.gz ZODAXLAUVWJUTB-UHFFFAOYSA-N 0 0 399.882 3.784 20 10 GHCDRN CC(C)COC[C@@H](O)CNC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000746225996 870129007 /nfs/dbraw/zinc/12/90/07/870129007.db2.gz OKGYGZMZUJERFA-IBGZPJMESA-N 0 0 398.507 3.931 20 10 GHCDRN COc1ccccc1-c1cccc(C(=O)N2CCCc3cc(O)c(O)cc3C2)n1 ZINC001192312137 870279680 /nfs/dbraw/zinc/27/96/80/870279680.db2.gz VRBYAEHAGCKZRT-UHFFFAOYSA-N 0 0 390.439 3.757 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(Cl)nc3C(F)(F)F)C2)cc1 ZINC000857634156 882414524 /nfs/dbraw/zinc/41/45/24/882414524.db2.gz DUZQTEYSTGLWEO-LLVKDONJSA-N 0 0 399.800 3.771 20 10 GHCDRN COc1cc(Br)cc(CNCc2csc([C@H](C)OC)n2)c1O ZINC000752266567 870562734 /nfs/dbraw/zinc/56/27/34/870562734.db2.gz RRPSVYRGUIYRFX-VIFPVBQESA-N 0 0 387.299 3.617 20 10 GHCDRN CC[C@H](Nc1ccc(N(C)CCO)cn1)c1cc(Br)ccc1O ZINC000775540655 870592510 /nfs/dbraw/zinc/59/25/10/870592510.db2.gz OPLPAYSYAHQTGO-HNNXBMFYSA-N 0 0 380.286 3.541 20 10 GHCDRN Cc1cc(C(=O)NC(C)(C)CS(C)(=O)=O)c(C)n1-c1cccc(C(C)C)c1 ZINC000760122804 870633751 /nfs/dbraw/zinc/63/37/51/870633751.db2.gz HLNAHUURDRJRBZ-UHFFFAOYSA-N 0 0 390.549 3.771 20 10 GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1coc2cc(F)ccc12 ZINC000793773724 882428243 /nfs/dbraw/zinc/42/82/43/882428243.db2.gz VOGIRVJQPGZNAP-UHFFFAOYSA-N 0 0 391.782 3.746 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCc4cccnc43)cc2F)C[C@@H](C)O1 ZINC000766413271 870724889 /nfs/dbraw/zinc/72/48/89/870724889.db2.gz BUVBPXKFOBGDTA-GPMSIDNRSA-N 0 0 397.494 3.571 20 10 GHCDRN COC(=O)/C=C/c1ccc(N2CCC[C@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000775554081 870772024 /nfs/dbraw/zinc/77/20/24/870772024.db2.gz GXCXBHGSVUKYPO-DQACCSDVSA-N 0 0 394.427 3.807 20 10 GHCDRN C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCOc2cc(N(C)C)ccc21 ZINC001192930503 870795361 /nfs/dbraw/zinc/79/53/61/870795361.db2.gz WXKREVUCEISFTC-ZDUSSCGKSA-N 0 0 393.409 3.997 20 10 GHCDRN COC(=O)[C@@](C)(NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CC1 ZINC000746474546 870812828 /nfs/dbraw/zinc/81/28/28/870812828.db2.gz HUKHZMPREVMJET-NRFANRHFSA-N 0 0 380.448 3.972 20 10 GHCDRN COc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)c(Cl)c1OC ZINC000121325642 870918872 /nfs/dbraw/zinc/91/88/72/870918872.db2.gz GTKBEIREQLBBNV-UHFFFAOYSA-N 0 0 390.911 3.826 20 10 GHCDRN CN(C)c1ccc(-c2nc(C(=O)Nc3cn(C)nc3C(F)(F)F)cs2)cc1 ZINC001193164056 870929462 /nfs/dbraw/zinc/92/94/62/870929462.db2.gz OMOJTFSBDPCBAU-UHFFFAOYSA-N 0 0 395.410 3.881 20 10 GHCDRN C[C@H]1[C@H](CNC(=O)OC(C)(C)C)CCCN1C(=O)c1ccc(O)c(O)c1Cl ZINC001193220877 870953343 /nfs/dbraw/zinc/95/33/43/870953343.db2.gz ZBXJDIGDBRHCIX-RYUDHWBXSA-N 0 0 398.887 3.517 20 10 GHCDRN C[C@H](NC(=O)Nc1cc(F)cc(N2CCOCC2)c1)c1ccc(N(C)C)cc1 ZINC000775582144 870966056 /nfs/dbraw/zinc/96/60/56/870966056.db2.gz NITBWTQSPSBIOZ-HNNXBMFYSA-N 0 0 386.471 3.611 20 10 GHCDRN Cc1cnc(Cl)nc1C(=O)Nc1ccc(NC(=O)Nc2ccc(N)cc2)cc1 ZINC001193252327 870976495 /nfs/dbraw/zinc/97/64/95/870976495.db2.gz USEZXPNFDUJKMM-UHFFFAOYSA-N 0 0 396.838 3.917 20 10 GHCDRN O=C(Nc1ccc(-c2nc(-c3ncsc3Cl)no2)cc1)C1=S=CC=C1 ZINC000463158812 871001127 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/nfs/dbraw/zinc/25/30/51/872253051.db2.gz WZWPDPBNXSCIKJ-UHFFFAOYSA-N 0 0 393.846 3.604 20 10 GHCDRN C[C@H]1CN(C2CN(C(=O)c3ccccc3NN=C3C=CC(=O)C=C3)C2)C[C@H](C)O1 ZINC001195275336 872299880 /nfs/dbraw/zinc/29/98/80/872299880.db2.gz RLBWAXHYQJANPF-VBPMHHAGSA-N 0 0 394.475 3.741 20 10 GHCDRN O=C(NC[C@@H](O)c1ccc(O)cc1)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195278352 872303312 /nfs/dbraw/zinc/30/33/12/872303312.db2.gz GIWCHIKAWURAPR-BBJJLJPOSA-N 0 0 377.400 3.977 20 10 GHCDRN O=C(NCc1cc2n(n1)CCCO2)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195279689 872304003 /nfs/dbraw/zinc/30/40/03/872304003.db2.gz RJMWECUNFWWZHM-GHVJWSGMSA-N 0 0 377.404 3.717 20 10 GHCDRN CN1CCCc2cc(CNC(=O)COc3ccccc3Br)ccc21 ZINC000763566892 872612288 /nfs/dbraw/zinc/61/22/88/872612288.db2.gz SNNWEDFPKSXWTM-UHFFFAOYSA-N 0 0 389.293 3.527 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)[C@H](OC(C)C)c3ccccc3)CC2)cc1 ZINC000794242358 882646463 /nfs/dbraw/zinc/64/64/63/882646463.db2.gz ZRHJEOVEHXMVRZ-JOCHJYFZSA-N 0 0 382.504 3.900 20 10 GHCDRN 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AIICLNNSRGQPCR-HNNXBMFYSA-N 0 0 393.534 3.847 20 10 GHCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1noc(-c2ccccc2)n1 ZINC000776165652 875679123 /nfs/dbraw/zinc/67/91/23/875679123.db2.gz OCFBSYIIWHPNPH-LSDHHAIUSA-N 0 0 379.464 3.924 20 10 GHCDRN O=C1c2ccccc2C(=O)c2cc(Nc3cnn(Cc4ccccn4)c3)c(O)cc21 ZINC001201423394 875681906 /nfs/dbraw/zinc/68/19/06/875681906.db2.gz ZCJOLFXJRLDZIF-UHFFFAOYSA-N 0 0 396.406 3.551 20 10 GHCDRN COc1ccc([C@H](OC)[C@@H](C)NC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000772072591 875691463 /nfs/dbraw/zinc/69/14/63/875691463.db2.gz KHSRMOAENIHBSD-IIBYNOLFSA-N 0 0 385.508 3.679 20 10 GHCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000776173640 875691964 /nfs/dbraw/zinc/69/19/64/875691964.db2.gz BKGUPQDVEOFKTH-SFHVURJKSA-N 0 0 381.303 3.862 20 10 GHCDRN Cc1cc(Br)c(O)c(CNc2ccc(CCS(C)(=O)=O)cc2)c1 ZINC001201541747 875737221 /nfs/dbraw/zinc/73/72/21/875737221.db2.gz IPFLYDAGMDISIU-UHFFFAOYSA-N 0 0 398.322 3.662 20 10 GHCDRN Cc1csc(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000174730124 875782576 /nfs/dbraw/zinc/78/25/76/875782576.db2.gz WIOKJXDJNBIDKZ-CYBMUJFWSA-N 0 0 396.463 3.521 20 10 GHCDRN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1cc(C)n(-c3ccccc3C)c1C)CC2 ZINC000151698061 875784489 /nfs/dbraw/zinc/78/44/89/875784489.db2.gz PSQQWVSJSHVFFD-FGZHOGPDSA-N 0 0 396.531 3.795 20 10 GHCDRN CC(C)=CCSCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000772269328 875816190 /nfs/dbraw/zinc/81/61/90/875816190.db2.gz ZWFFHXDMMXABQU-IYBDPMFKSA-N 0 0 380.529 3.755 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1sccc1Br ZINC000450043267 875863733 /nfs/dbraw/zinc/86/37/33/875863733.db2.gz AYONTUNYLLBQLC-UHFFFAOYSA-N 0 0 381.295 3.545 20 10 GHCDRN CC(=O)N(C)c1ccc(C[NH2+]Cc2cc(C)cc(Br)c2[O-])cc1 ZINC000858249960 882976567 /nfs/dbraw/zinc/97/65/67/882976567.db2.gz DPVUWTYEWOJDQU-UHFFFAOYSA-N 0 0 377.282 3.736 20 10 GHCDRN CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc3ncsc3c2)cc1 ZINC000772450886 875966590 /nfs/dbraw/zinc/96/65/90/875966590.db2.gz BUBOSEQJHYFIJN-UHFFFAOYSA-N 0 0 387.530 3.716 20 10 GHCDRN CCS(=O)(=O)c1ccc2oc(CN(C)c3ccc(OC)c(Cl)c3)nc2c1 ZINC000151837431 876004000 /nfs/dbraw/zinc/00/40/00/876004000.db2.gz RNZBTBKEWKOEEQ-UHFFFAOYSA-N 0 0 394.880 3.920 20 10 GHCDRN CC(C)c1n[nH]c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1Br ZINC000106427798 876029569 /nfs/dbraw/zinc/02/95/69/876029569.db2.gz SKQWCAHCWQTOSL-UHFFFAOYSA-N 0 0 379.302 3.634 20 10 GHCDRN COc1ccc(NCc2cc(Br)cc(Br)c2O)nc1 ZINC000776250782 876050960 /nfs/dbraw/zinc/05/09/60/876050960.db2.gz LVBOPHXLAPRMKW-UHFFFAOYSA-N 0 0 388.059 3.933 20 10 GHCDRN CO[C@H]1CCC[C@H]1C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000776257643 876052071 /nfs/dbraw/zinc/05/20/71/876052071.db2.gz ZLYSCUIDTUASLH-ZANVPECISA-N 0 0 393.119 3.822 20 10 GHCDRN CCCOc1ccc(CN[C@H](C(N)=O)c2cccc(Br)c2)cc1C ZINC001202243464 876086253 /nfs/dbraw/zinc/08/62/53/876086253.db2.gz YTKACFGEZBFBIY-SFHVURJKSA-N 0 0 391.309 3.863 20 10 GHCDRN COc1ccc(N2CCCN(Cc3nc(Cc4cccc(F)c4)no3)CC2)cc1 ZINC000785659893 876188079 /nfs/dbraw/zinc/18/80/79/876188079.db2.gz SLGRJJKXAUDEEL-UHFFFAOYSA-N 0 0 396.466 3.520 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](c2cccs2)C2CC2)cc1 ZINC000785783270 876244913 /nfs/dbraw/zinc/24/49/13/876244913.db2.gz DNIFNFZOVGFNQV-FQEVSTJZSA-N 0 0 399.560 3.820 20 10 GHCDRN Cc1ccc([C@@H](NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000785818408 876261904 /nfs/dbraw/zinc/26/19/04/876261904.db2.gz GTFPEZVWQGIKKW-HRAATJIYSA-N 0 0 379.504 3.506 20 10 GHCDRN COCc1ccc(NCc2cc(Br)cc(OC)c2O)cc1OC ZINC000858309927 883014381 /nfs/dbraw/zinc/01/43/81/883014381.db2.gz MGOJITYSKYXHQJ-UHFFFAOYSA-N 0 0 382.254 3.930 20 10 GHCDRN COc1ccc(N2CCN(C(=O)C[C@H](C)Cc3ccccc3OC)CC2)cc1 ZINC000107102125 876304159 /nfs/dbraw/zinc/30/41/59/876304159.db2.gz ZPBLQGOPBCHLBH-GOSISDBHSA-N 0 0 382.504 3.621 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NC3CCC(OC(C)C)CC3)CC2)cc1 ZINC000151967549 876317087 /nfs/dbraw/zinc/31/70/87/876317087.db2.gz KMEFSDYPNGKLSQ-UHFFFAOYSA-N 0 0 389.540 3.653 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000785927351 876327657 /nfs/dbraw/zinc/32/76/57/876327657.db2.gz ZISGGKUXWKNZPN-IBGZPJMESA-N 0 0 387.524 3.638 20 10 GHCDRN CC[C@@H](NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000786038784 876422809 /nfs/dbraw/zinc/42/28/09/876422809.db2.gz PFFJXUVLOBBPHX-AUUYWEPGSA-N 0 0 387.911 3.851 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)CSC[C@H]3CCCCO3)cc2)CC1 ZINC000108294489 876451124 /nfs/dbraw/zinc/45/11/24/876451124.db2.gz GNAQJJDEDDYBOC-HXUWFJFHSA-N 0 0 376.566 3.841 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)c3ccc4c(c3)NC(=O)CS4)cc2)CC1 ZINC000108296395 876452487 /nfs/dbraw/zinc/45/24/87/876452487.db2.gz DUEWTDTVBCWXOR-UHFFFAOYSA-N 0 0 395.528 3.897 20 10 GHCDRN CSc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000108616536 876496459 /nfs/dbraw/zinc/49/64/59/876496459.db2.gz YXGQRRUKBVGUOG-UHFFFAOYSA-N 0 0 397.544 3.900 20 10 GHCDRN CC(=O)N[C@@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccccc1 ZINC000914440365 883037846 /nfs/dbraw/zinc/03/78/46/883037846.db2.gz XYTJRGKUDBHSJD-QFIPXVFZSA-N 0 0 379.504 3.511 20 10 GHCDRN CCCc1cc(=O)n2nc(NCc3ccc(N(CC)CC)c(F)c3)sc2n1 ZINC000109001775 876566569 /nfs/dbraw/zinc/56/65/69/876566569.db2.gz RAWNIBWGPPSZPY-UHFFFAOYSA-N 0 0 389.500 3.701 20 10 GHCDRN O=C(CSc1ncc(Cl)s1)NCCc1ccc(OC(F)F)cc1 ZINC000849998396 876583759 /nfs/dbraw/zinc/58/37/59/876583759.db2.gz OKYNPJNYZLDFEW-UHFFFAOYSA-N 0 0 378.853 3.849 20 10 GHCDRN COc1cc(NC(=O)CCSc2ncc(Cl)s2)cc(OC)c1OC ZINC000849998373 876583940 /nfs/dbraw/zinc/58/39/40/876583940.db2.gz FHDPFKROXFBMFZ-UHFFFAOYSA-N 0 0 388.898 3.943 20 10 GHCDRN CCSc1ccc([C@@H](C)NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000804589406 883066189 /nfs/dbraw/zinc/06/61/89/883066189.db2.gz PIKXNUGINHFDNM-HZPDHXFCSA-N 0 0 399.560 3.919 20 10 GHCDRN COC(=O)c1cc(C)nc(N(Cc2ccco2)Cc2ccccc2O)c1[N+](=O)[O-] ZINC000804590179 883066846 /nfs/dbraw/zinc/06/68/46/883066846.db2.gz BUXJVJLMAXKXJU-UHFFFAOYSA-N 0 0 397.387 3.590 20 10 GHCDRN CCN(CC)c1ccc(CNc2cccc(CN3CCCS3(=O)=O)c2)cc1 ZINC000850341450 876830771 /nfs/dbraw/zinc/83/07/71/876830771.db2.gz AFUHAEBZOCJNOJ-UHFFFAOYSA-N 0 0 387.549 3.680 20 10 GHCDRN O=C(NCCCSc1nccs1)NCCc1nc2c(s1)CCCC2 ZINC000152103911 876843259 /nfs/dbraw/zinc/84/32/59/876843259.db2.gz DSUHHDOVLLCDOW-UHFFFAOYSA-N 0 0 382.580 3.503 20 10 GHCDRN C[C@@H]1COCCN1CCNC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000772687262 876878195 /nfs/dbraw/zinc/87/81/95/876878195.db2.gz BJPFSXHVQCJIMY-QGZVFWFLSA-N 0 0 395.507 3.619 20 10 GHCDRN COC(=O)[C@@H]1CCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)[C@H]1C ZINC000786726382 876888343 /nfs/dbraw/zinc/88/83/43/876888343.db2.gz CELIFRLSKCBEHB-OXJNMPFZSA-N 0 0 387.524 3.549 20 10 GHCDRN Cc1ccc(O)c(CNc2ccc(N3CCN(C)CC3)c(Br)c2)c1 ZINC000786836272 876953171 /nfs/dbraw/zinc/95/31/71/876953171.db2.gz LRVSUTBIYJCAMM-UHFFFAOYSA-N 0 0 390.325 3.827 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)N(C)CC3(C)COC3)cc2Cl)C1 ZINC000858426277 883087815 /nfs/dbraw/zinc/08/78/15/883087815.db2.gz OGDMIDHQVVALOM-HNNXBMFYSA-N 0 0 379.932 3.754 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(COC[C@H]3CCCO3)c2)c1 ZINC000850578157 877050121 /nfs/dbraw/zinc/05/01/21/877050121.db2.gz JQVFWZQUUBKLOB-OXJNMPFZSA-N 0 0 399.487 3.725 20 10 GHCDRN O=C(C(=O)N1CCC[C@H](CCF)C1)N(Cc1ccccc1O)C1CCCCC1 ZINC000850596870 877062734 /nfs/dbraw/zinc/06/27/34/877062734.db2.gz XKDGIUJZTSTBQP-QGZVFWFLSA-N 0 0 390.499 3.652 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000850626081 877077925 /nfs/dbraw/zinc/07/79/25/877077925.db2.gz MCHBOIHCYMUPBM-UHFFFAOYSA-N 0 0 395.286 3.754 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccnc(OCC(F)(F)F)c1 ZINC000776491272 877202086 /nfs/dbraw/zinc/20/20/86/877202086.db2.gz PNAUWAXKVQNVOY-UHFFFAOYSA-N 0 0 392.381 3.721 20 10 GHCDRN Oc1ccccc1CN(C[C@@H]1CCCO1)c1ncc(Br)cc1F ZINC000858460113 883116064 /nfs/dbraw/zinc/11/60/64/883116064.db2.gz SXLGJPIQMHJVMA-AWEZNQCLSA-N 0 0 381.245 3.874 20 10 GHCDRN C[C@@H](NC(=O)NCc1nc(-c2cccc(F)c2)no1)c1ccc(N(C)C)cc1 ZINC000787317670 877343023 /nfs/dbraw/zinc/34/30/23/877343023.db2.gz LGYBXSQHNDUUPA-CYBMUJFWSA-N 0 0 383.427 3.502 20 10 GHCDRN CC[C@@H](NC(=O)C(=O)NCCCSc1nccs1)c1cccc(Cl)c1 ZINC000787349238 877367363 /nfs/dbraw/zinc/36/73/63/877367363.db2.gz KIAFWOBYLNUWIQ-CQSZACIVSA-N 0 0 397.953 3.662 20 10 GHCDRN CC[C@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(Cl)c1 ZINC000787349362 877367853 /nfs/dbraw/zinc/36/78/53/877367853.db2.gz LISXDAUYJMHJNE-IBGZPJMESA-N 0 0 387.911 3.632 20 10 GHCDRN C[C@H](CSC(=O)c1ccccc1)C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001183088467 912244674 /nfs/dbraw/zinc/24/46/74/912244674.db2.gz WWVNRPGJOHGUNK-CQSZACIVSA-N 0 0 385.485 3.582 20 10 GHCDRN CC(C)Oc1ccccc1[C@H](C)NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000787881708 877685930 /nfs/dbraw/zinc/68/59/30/877685930.db2.gz XIFXHMQBRSGMOI-IRXDYDNUSA-N 0 0 397.519 3.594 20 10 GHCDRN Cc1cc(C(=O)N(C)Cc2ncnn2CC(F)F)c(C)n1-c1cccc(C)c1 ZINC000787857262 877696565 /nfs/dbraw/zinc/69/65/65/877696565.db2.gz PXAFMNPGWZASIE-UHFFFAOYSA-N 0 0 387.434 3.531 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000787918017 877712836 /nfs/dbraw/zinc/71/28/36/877712836.db2.gz ACFNGVRXFYROSW-UHFFFAOYSA-N 0 0 390.402 3.520 20 10 GHCDRN CN(C)c1ccc(CNC(=O)NCCc2ccccc2C(F)(F)F)cc1F ZINC000746724344 877768552 /nfs/dbraw/zinc/76/85/52/877768552.db2.gz AAGLZLVONZMDKA-UHFFFAOYSA-N 0 0 383.389 3.952 20 10 GHCDRN CC(C)OCC[C@H](O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000788066001 877820434 /nfs/dbraw/zinc/82/04/34/877820434.db2.gz HEDMFWKRTLGSQU-RBUKOAKNSA-N 0 0 390.549 3.997 20 10 GHCDRN CC(C)(C)[C@@H](NC(=O)C(=O)NCCCSc1nccs1)c1ccccc1 ZINC000788231753 877901613 /nfs/dbraw/zinc/90/16/13/877901613.db2.gz FANJJBLKUNLNEZ-HNNXBMFYSA-N 0 0 391.562 3.645 20 10 GHCDRN Cc1cc(C(=O)CN(C)CCCCO)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000788278098 877988899 /nfs/dbraw/zinc/98/88/99/877988899.db2.gz AKMJHOGLEYCOIJ-UHFFFAOYSA-N 0 0 380.435 3.583 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCC[C@]3(C)CC3(F)F)cc2F)C[C@@H](C)O1 ZINC000851991437 878019277 /nfs/dbraw/zinc/01/92/77/878019277.db2.gz PRELCMNMTWTMPH-PJIJBLCYSA-N 0 0 399.457 3.674 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCC[C@@]3(C)CC3(F)F)cc2F)C[C@H](C)O1 ZINC000851991435 878020035 /nfs/dbraw/zinc/02/00/35/878020035.db2.gz PRELCMNMTWTMPH-KSMMKXTCSA-N 0 0 399.457 3.674 20 10 GHCDRN C[C@@H](NC(=O)N[C@@H](C)C1CCC(F)CC1)c1ccc(N2CCOCC2)cc1 ZINC000852012206 878030887 /nfs/dbraw/zinc/03/08/87/878030887.db2.gz GJGTXIQSKMOWCZ-AAILRHKWSA-N 0 0 377.504 3.800 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)NCCc3c(C)[nH]c4ccccc43)C2)cc1 ZINC000852044076 878046514 /nfs/dbraw/zinc/04/65/14/878046514.db2.gz DQKWLKLLVOKUPS-KRWDZBQOSA-N 0 0 392.503 3.606 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H](c1ccccc1)C1CCC1 ZINC000852060403 878055273 /nfs/dbraw/zinc/05/52/73/878055273.db2.gz FJMKJVASURZXOU-QHCPKHFHSA-N 0 0 393.531 3.988 20 10 GHCDRN Cc1cc(C)cc(C[C@@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000852148155 878102257 /nfs/dbraw/zinc/10/22/57/878102257.db2.gz PQUMDTUNWAERMB-LJQANCHMSA-N 0 0 395.547 3.695 20 10 GHCDRN C[C@H](NC(=O)NC[C@@H](O)c1cccc2ccccc21)c1ccc(N(C)C)cc1 ZINC000852261905 878183805 /nfs/dbraw/zinc/18/38/05/878183805.db2.gz WACQTAZGAZYBET-KSFYIVLOSA-N 0 0 377.488 4.000 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCc4nccnc4C3)cc2Cl)C1 ZINC000852308555 878226483 /nfs/dbraw/zinc/22/64/83/878226483.db2.gz IGJIYESRTVVNHY-OAHLLOKOSA-N 0 0 399.926 3.634 20 10 GHCDRN CCSc1cccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000852353950 878273428 /nfs/dbraw/zinc/27/34/28/878273428.db2.gz SISZMNXBJDAALE-UHFFFAOYSA-N 0 0 399.560 3.759 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)NCC(C)(C)CC(F)(F)F)C2)cc1 ZINC000852387084 878295061 /nfs/dbraw/zinc/29/50/61/878295061.db2.gz OQHDPDZINPJQIV-CQSZACIVSA-N 0 0 387.446 3.799 20 10 GHCDRN Cc1cc(C)c([C@@H](C)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)c(O)c1 ZINC000788732771 878307711 /nfs/dbraw/zinc/30/77/11/878307711.db2.gz FTACMWSAFBXKDW-OAHLLOKOSA-N 0 0 385.489 3.771 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1cccc(C(F)(F)F)c1[O-] ZINC000788743260 878317216 /nfs/dbraw/zinc/31/72/16/878317216.db2.gz YHLVSJUWTKIWLD-DYVFJYSZSA-N 0 0 393.409 3.648 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)NCc3ccc4[nH]c(C)cc4c3)C2)cc1 ZINC000852450053 878330718 /nfs/dbraw/zinc/33/07/18/878330718.db2.gz XWMSESLXZRQRIO-GOSISDBHSA-N 0 0 378.476 3.563 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(Cc2ccccc2F)C(C)C)cc1 ZINC000788929386 878427039 /nfs/dbraw/zinc/42/70/39/878427039.db2.gz VDSICFKHUPGCGC-UHFFFAOYSA-N 0 0 399.510 3.725 20 10 GHCDRN CC(C)CC[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)C(C)(C)C ZINC000788931300 878428731 /nfs/dbraw/zinc/42/87/31/878428731.db2.gz CSNWRZMKGPBMMD-FQEVSTJZSA-N 0 0 387.568 3.870 20 10 GHCDRN Cc1ccccc1[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)C(C)C ZINC000788909257 878445386 /nfs/dbraw/zinc/44/53/86/878445386.db2.gz FPUHOJUGOVDRIH-JOCHJYFZSA-N 0 0 393.531 3.725 20 10 GHCDRN COc1cc(O)c([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1OC ZINC000180064847 878462146 /nfs/dbraw/zinc/46/21/46/878462146.db2.gz KDGIFIVYXLPUOY-FQEVSTJZSA-N 0 0 380.400 3.769 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)NC1CCC2(CC2(F)F)CC1 ZINC000852607698 878464549 /nfs/dbraw/zinc/46/45/49/878464549.db2.gz LYYMQUKMWHEXEI-UHFFFAOYSA-N 0 0 389.240 3.922 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H](C)Cc2ccc(C)cc2)cc1 ZINC000788969152 878476593 /nfs/dbraw/zinc/47/65/93/878476593.db2.gz ZTEUECXSKVXQJB-IBGZPJMESA-N 0 0 395.547 3.547 20 10 GHCDRN Cc1c(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cccc1N(C)C ZINC000180163360 878596039 /nfs/dbraw/zinc/59/60/39/878596039.db2.gz RZCFUJIZGHRRNB-UHFFFAOYSA-N 0 0 382.508 3.562 20 10 GHCDRN CCOC(=O)/C(=C/c1cn2cc(C)ccc2n1)c1nccn1Cc1ccccc1 ZINC000789129254 878614684 /nfs/dbraw/zinc/61/46/84/878614684.db2.gz SWVCYFMTOBUWLE-DEDYPNTBSA-N 0 0 386.455 3.991 20 10 GHCDRN CCOc1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1F ZINC000068484298 878614998 /nfs/dbraw/zinc/61/49/98/878614998.db2.gz SMYOTOHALIOYOE-OAHLLOKOSA-N 0 0 387.455 3.944 20 10 GHCDRN CC(C)COc1cccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000068535875 878686272 /nfs/dbraw/zinc/68/62/72/878686272.db2.gz UJXBTZODDUKTON-UHFFFAOYSA-N 0 0 382.504 3.830 20 10 GHCDRN COc1ccc(CS(C)(=O)=O)cc1NCc1ccc(N2CCCCC2)cc1 ZINC000285658231 912380420 /nfs/dbraw/zinc/38/04/20/912380420.db2.gz YXLMJPCQPGATOO-UHFFFAOYSA-N 0 0 388.533 3.842 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)=C1CN(C(=O)OC(C)(C)C)C1 ZINC000776637151 878760356 /nfs/dbraw/zinc/76/03/56/878760356.db2.gz RVOCNSUEKVSNIS-UHFFFAOYSA-N 0 0 387.524 3.668 20 10 GHCDRN CC(C)(O)CN(Cc1ccccc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000180388461 878845936 /nfs/dbraw/zinc/84/59/36/878845936.db2.gz GXMWXLGPNJWFKS-UHFFFAOYSA-N 0 0 381.520 3.770 20 10 GHCDRN CCN(CC)c1ccc(CNc2ccc3c(c2)S(=O)(=O)N=C3Cl)cc1 ZINC000853193684 878886497 /nfs/dbraw/zinc/88/64/97/878886497.db2.gz XCHMCOIVPOECRE-UHFFFAOYSA-N 0 0 377.897 3.833 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3cccc4c3OC(C)(C)C4)CC2)cc1F ZINC000789399779 878946014 /nfs/dbraw/zinc/94/60/14/878946014.db2.gz ZNTCKNAPVZJGMQ-UHFFFAOYSA-N 0 0 399.466 3.902 20 10 GHCDRN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000746813075 878977195 /nfs/dbraw/zinc/97/71/95/878977195.db2.gz PRXBBCPQEBUDTL-FOIQADDNSA-N 0 0 377.488 3.594 20 10 GHCDRN CN1CCCc2cc(CNC(=O)COc3ccc(C(F)(F)F)cc3)ccc21 ZINC000746813073 878977635 /nfs/dbraw/zinc/97/76/35/878977635.db2.gz PQRXEPBJSJDHJB-UHFFFAOYSA-N 0 0 378.394 3.783 20 10 GHCDRN Cc1cc(C)n(-c2ccc(CC(=O)NCc3ccc4c(c3)CCCN4C)cc2)n1 ZINC000746814880 878989139 /nfs/dbraw/zinc/98/91/39/878989139.db2.gz ZWEHQHRAQSWETK-UHFFFAOYSA-N 0 0 388.515 3.730 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](c3ccccc3)C(F)(F)F)C2)cc1 ZINC000853400024 879005112 /nfs/dbraw/zinc/00/51/12/879005112.db2.gz NHZSKBRZKVHXTR-QAPCUYQASA-N 0 0 393.409 3.877 20 10 GHCDRN Oc1cc2c(cc1CN1CCO[C@H](c3ccccc3C(F)(F)F)C1)OCO2 ZINC000180575408 879062713 /nfs/dbraw/zinc/06/27/13/879062713.db2.gz SARNESGHAAZCGL-SFHVURJKSA-N 0 0 381.350 3.713 20 10 GHCDRN COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)NCc1cc(OC)c(OC)cc1O ZINC000789579244 879078355 /nfs/dbraw/zinc/07/83/55/879078355.db2.gz FSQXHSYNUHWWPQ-LPHOPBHVSA-N 0 0 399.487 3.551 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(COCC(F)(F)F)cc1 ZINC000180614860 879084429 /nfs/dbraw/zinc/08/44/29/879084429.db2.gz HGGXFRKLWQDRIK-SOFGYWHQSA-N 0 0 381.350 3.506 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)NC(C)(C)c3ccccc3OC)C2)cc1 ZINC000853667286 879212944 /nfs/dbraw/zinc/21/29/44/879212944.db2.gz XAXAFCNXDLYRMX-MRXNPFEDSA-N 0 0 383.492 3.517 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC1(c2ccc(F)cc2)CCC1 ZINC000853671708 879213775 /nfs/dbraw/zinc/21/37/75/879213775.db2.gz DXGFRQAVLKLJNO-UHFFFAOYSA-N 0 0 397.494 3.665 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N[C@@H]3C[C@@H](O)c4ccccc43)cc2)CC1 ZINC000853704293 879231712 /nfs/dbraw/zinc/23/17/12/879231712.db2.gz FTVSXYQBLWXLMG-FGZHOGPDSA-N 0 0 379.504 3.901 20 10 GHCDRN C/C=C(\CC)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000789792971 879279777 /nfs/dbraw/zinc/27/97/77/879279777.db2.gz BCSDITWCNBXDQT-PSSQXEACSA-N 0 0 375.513 3.791 20 10 GHCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CC1(Cc2ccccc2)CC1 ZINC000761574926 879315824 /nfs/dbraw/zinc/31/58/24/879315824.db2.gz ITGXDWRYFLDVGE-UHFFFAOYSA-N 0 0 384.863 3.833 20 10 GHCDRN Cc1cc(C(=O)N2CCCC2)ccc1NCc1ccc(N2CCOCC2)cc1 ZINC000789888723 879316581 /nfs/dbraw/zinc/31/65/81/879316581.db2.gz BHLZPWVSCWWUAO-UHFFFAOYSA-N 0 0 379.504 3.680 20 10 GHCDRN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761580019 879329254 /nfs/dbraw/zinc/32/92/54/879329254.db2.gz QYSMRDLGAQUUNJ-CYBMUJFWSA-N 0 0 387.867 3.637 20 10 GHCDRN CCOC(=O)C1CCN(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000789918226 879331714 /nfs/dbraw/zinc/33/17/14/879331714.db2.gz MQBYFIBEQHHIHX-UHFFFAOYSA-N 0 0 397.519 3.621 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)NCCOc2ccc(OC)cc2)cc1 ZINC000789918860 879332026 /nfs/dbraw/zinc/33/20/26/879332026.db2.gz WXCKLOBJTKBLAJ-UHFFFAOYSA-N 0 0 385.508 3.762 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000914179316 879364748 /nfs/dbraw/zinc/36/47/48/879364748.db2.gz IDNYVCXUGNCMQU-KRWDZBQOSA-N 0 0 385.405 3.863 20 10 GHCDRN CCOc1ccc(O)c(CN(C)[C@@H](C(=O)OC)c2cc(F)c(F)c(F)c2)c1 ZINC000093811775 912449571 /nfs/dbraw/zinc/44/95/71/912449571.db2.gz JCYSFXITZPQMIH-GOSISDBHSA-N 0 0 383.366 3.554 20 10 GHCDRN OC1CCN(c2ccc(CNc3nnc(Cc4ccccc4)s3)cc2)CC1 ZINC000853955573 879400105 /nfs/dbraw/zinc/40/01/05/879400105.db2.gz SFPLXMCWXCKTQH-UHFFFAOYSA-N 0 0 380.517 3.702 20 10 GHCDRN O=[N+]([O-])c1ccc2nc(NCc3ccc(N4CCC(O)CC4)cc3)sc2c1 ZINC000853955764 879400127 /nfs/dbraw/zinc/40/01/27/879400127.db2.gz JIGOWNALSOWABA-UHFFFAOYSA-N 0 0 384.461 3.778 20 10 GHCDRN O=[N+]([O-])c1ccc2ccnc(NCc3ccc(N4CCC(O)CC4)cc3)c2c1 ZINC000853958290 879401623 /nfs/dbraw/zinc/40/16/23/879401623.db2.gz VXUOMTGVKCRTOC-UHFFFAOYSA-N 0 0 378.432 3.716 20 10 GHCDRN COc1cc([C@H](C)NC(=O)c2c(F)ccc(O)c2O)ccc1OCC(C)C ZINC000790068864 879413817 /nfs/dbraw/zinc/41/38/17/879413817.db2.gz GOTUPDWCCXKQGH-LBPRGKRZSA-N 0 0 377.412 3.771 20 10 GHCDRN COc1ccc(OC)c(N2C(=O)/C(=C\c3cccc(OC)n3)SC2=S)c1 ZINC000790108004 879446246 /nfs/dbraw/zinc/44/62/46/879446246.db2.gz MBJXMBBFYLDRKE-OQLLNIDSSA-N 0 0 388.470 3.513 20 10 GHCDRN Cc1nc2c(s1)[C@H](N(C)C(=O)NCc1ccc(N(C)C)c(F)c1)CCC2 ZINC000111845253 879464732 /nfs/dbraw/zinc/46/47/32/879464732.db2.gz BBGBCBZLMAZQCU-QGZVFWFLSA-N 0 0 376.501 3.876 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)NCC1(Sc2ccccc2)CC1 ZINC000069082952 879519206 /nfs/dbraw/zinc/51/92/06/879519206.db2.gz MNHRCCPFZQLCBD-UHFFFAOYSA-N 0 0 397.544 3.647 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1CCCc2c(F)cccc21 ZINC000854097108 879526912 /nfs/dbraw/zinc/52/69/12/879526912.db2.gz ACTNRSYIKPQBLK-QFIPXVFZSA-N 0 0 397.494 3.664 20 10 GHCDRN CC1CCN(C(=O)c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)cc2)CC1 ZINC000180964186 879573033 /nfs/dbraw/zinc/57/30/33/879573033.db2.gz CBJTXDBAMMUXJZ-YCRREMRBSA-N 0 0 380.444 3.622 20 10 GHCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)[C@@H]1CCc2ccccc2[C@H]1O ZINC001183393484 912473655 /nfs/dbraw/zinc/47/36/55/912473655.db2.gz MRYONLMALXOREQ-OXQOHEQNSA-N 0 0 382.847 3.506 20 10 GHCDRN O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1ccc(N2CCCCC2)cc1 ZINC000212437854 879613375 /nfs/dbraw/zinc/61/33/75/879613375.db2.gz DURRGPJFGAEHEL-CPNJWEJPSA-N 0 0 377.400 3.930 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)Nc1cccc2c1CCCC2 ZINC000854180985 879614394 /nfs/dbraw/zinc/61/43/94/879614394.db2.gz RYKOUPYFEUKJSP-UHFFFAOYSA-N 0 0 379.504 3.848 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)Nc1cccc(Cl)c1F ZINC000854211731 879629535 /nfs/dbraw/zinc/62/95/35/879629535.db2.gz NREZSJUZRQVSPI-UHFFFAOYSA-N 0 0 377.847 3.762 20 10 GHCDRN CC[C@@H]([NH2+][C@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1ccc(F)cc1[O-] ZINC000285876934 912481895 /nfs/dbraw/zinc/48/18/95/912481895.db2.gz ZFUDLYUCIIJWJW-JLTOFOAXSA-N 0 0 386.467 3.991 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](C)c1ccccn1 ZINC000854262267 879675321 /nfs/dbraw/zinc/67/53/21/879675321.db2.gz TZNUKJDPQIXAKL-ZDUSSCGKSA-N 0 0 392.297 3.885 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3cccc(NC(=O)C(C)C)c3)C2)cc1 ZINC000854271160 879686087 /nfs/dbraw/zinc/68/60/87/879686087.db2.gz XPMKMCMCAVNBJN-GOSISDBHSA-N 0 0 396.491 3.690 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3nn(-c4ccccc4)cc3C)C2)cc1 ZINC000854300988 879704764 /nfs/dbraw/zinc/70/47/64/879704764.db2.gz FUCZDGXFONVPII-QGZVFWFLSA-N 0 0 391.475 3.590 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N(Cc3ccccc3F)C3CC3)C2)cc1 ZINC000854302265 879706186 /nfs/dbraw/zinc/70/61/86/879706186.db2.gz YLBMILRDTOBCCZ-QGZVFWFLSA-N 0 0 383.467 3.787 20 10 GHCDRN COC[C@H](NC(=O)N(Cc1ccccc1O)C1CCCCC1)C1CCOCC1 ZINC000854318966 879720916 /nfs/dbraw/zinc/72/09/16/879720916.db2.gz HQNQRCZZJKTJFK-FQEVSTJZSA-N 0 0 390.524 3.678 20 10 GHCDRN Cc1cc(CC(=O)N2CC[C@H](C(F)(F)F)[C@H](CO)C2)c(C)n1-c1ccccc1 ZINC000854422011 879802634 /nfs/dbraw/zinc/80/26/34/879802634.db2.gz MXLGDWMSILLMDK-HKUYNNGSSA-N 0 0 394.437 3.656 20 10 GHCDRN O=C(Nc1cccc(COCCOc2ccccc2)c1)c1cccc(O)c1O ZINC000790547051 879803577 /nfs/dbraw/zinc/80/35/77/879803577.db2.gz UHPUPYWHMWGOEO-UHFFFAOYSA-N 0 0 379.412 3.946 20 10 GHCDRN CC[C@H](C)CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000790675905 879903628 /nfs/dbraw/zinc/90/36/28/879903628.db2.gz HHANBDHIPSIKQM-YJBOKZPZSA-N 0 0 377.529 3.871 20 10 GHCDRN CCN(CCc1cccs1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000746958095 880121762 /nfs/dbraw/zinc/12/17/62/880121762.db2.gz IRCSBOBOGYUFGR-QGZVFWFLSA-N 0 0 387.549 3.920 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000790996733 880124789 /nfs/dbraw/zinc/12/47/89/880124789.db2.gz YRLVIODEHNXGBM-OAHLLOKOSA-N 0 0 378.314 3.888 20 10 GHCDRN Cc1cc(CC(=O)NCc2nccc(C(F)(F)F)n2)c(C)n1-c1ccccc1 ZINC000854937086 880159826 /nfs/dbraw/zinc/15/98/26/880159826.db2.gz BRFKCZWGTIEQNS-UHFFFAOYSA-N 0 0 388.393 3.762 20 10 GHCDRN C[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@H](c2ccccc2)O1 ZINC000746981188 880221850 /nfs/dbraw/zinc/22/18/50/880221850.db2.gz PFRZTOVJPZWXOS-HTAPYJJXSA-N 0 0 379.504 3.741 20 10 GHCDRN Cc1cc(CC(=O)N2C[C@@H](C)S(=O)[C@H](C)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000791182089 880261516 /nfs/dbraw/zinc/26/15/16/880261516.db2.gz MIRGYEIMHCRKME-HUUCEWRRSA-N 0 0 392.952 3.658 20 10 GHCDRN C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Nc1ccc2ccccc2c1 ZINC000772770840 880290030 /nfs/dbraw/zinc/29/00/30/880290030.db2.gz VFASAWFHYQULAX-DPQIITEBSA-N 0 0 377.396 3.835 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H]1CC1(Cl)Cl ZINC000791246010 880305218 /nfs/dbraw/zinc/30/52/18/880305218.db2.gz JFUFUVFMWLWYCQ-CQSZACIVSA-N 0 0 387.307 3.569 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)C[C@@H](c3ccc(O)cc3)C3CC3)C2)cc1 ZINC000855223079 880367536 /nfs/dbraw/zinc/36/75/36/880367536.db2.gz DWZBROQXOAKNGO-PGRDOPGGSA-N 0 0 380.488 3.680 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3cscc3Br)C2)cc1 ZINC000855223395 880367939 /nfs/dbraw/zinc/36/79/39/880367939.db2.gz GKOSNDULBXBMDQ-NSHDSACASA-N 0 0 381.295 3.528 20 10 GHCDRN CC[C@H](C)c1nc(C)c(CC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c(C)n1 ZINC000855222911 880368146 /nfs/dbraw/zinc/36/81/46/880368146.db2.gz CTVGGTNIQAPQBN-YJBOKZPZSA-N 0 0 396.535 3.553 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)CCC(=O)c3ccc4c(c3)CCC4)C2)cc1 ZINC000855229474 880374528 /nfs/dbraw/zinc/37/45/28/880374528.db2.gz NVLAVDMGWNJNCN-HXUWFJFHSA-N 0 0 392.499 3.542 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Cc3nc(-c4ccsc4)oc3C)C2)cc1 ZINC000855230581 880375832 /nfs/dbraw/zinc/37/58/32/880375832.db2.gz PTOCHIRLKOEMED-INIZCTEOSA-N 0 0 397.500 3.658 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)/C=C/c3cnc(C(C)(C)C)s3)C2)cc1 ZINC000855232928 880378124 /nfs/dbraw/zinc/37/81/24/880378124.db2.gz ZTTWYYTXOCRENY-BOLDSZDNSA-N 0 0 385.533 3.858 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)c2c[nH]c3ncc(Br)cc23)cc1 ZINC000791426772 880426814 /nfs/dbraw/zinc/42/68/14/880426814.db2.gz YLTIEWKDEOXTEJ-UHFFFAOYSA-N 0 0 387.281 3.664 20 10 GHCDRN Cc1ccc(C[C@@H]2CCCN2C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000113382276 880550708 /nfs/dbraw/zinc/55/07/08/880550708.db2.gz QORNAFHKJJFPTP-QHCPKHFHSA-N 0 0 393.531 3.748 20 10 GHCDRN COC(=O)[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)[C@H]2CCCC[C@H]12 ZINC000855642727 880655854 /nfs/dbraw/zinc/65/58/54/880655854.db2.gz KHYSDQZZWUOBAW-GGPKGHCWSA-N 0 0 395.503 3.683 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cccc(NC(=O)N(C)C)c2C)c1 ZINC000791910106 880799766 /nfs/dbraw/zinc/79/97/66/880799766.db2.gz DPFQMRYBXKLCIP-ZDUSSCGKSA-N 0 0 386.452 3.685 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C ZINC000792254649 881019622 /nfs/dbraw/zinc/01/96/22/881019622.db2.gz CVTODAHHLCAQBJ-MRXNPFEDSA-N 0 0 392.544 3.586 20 10 GHCDRN COc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c2ccccc12 ZINC000856208836 881042809 /nfs/dbraw/zinc/04/28/09/881042809.db2.gz XCKNFLLVXBBIJA-UHFFFAOYSA-N 0 0 390.483 3.740 20 10 GHCDRN C[C@@H]1CCc2c(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)csc2C1 ZINC000856209944 881043411 /nfs/dbraw/zinc/04/34/11/881043411.db2.gz ISEDETWYYBPRGI-OAHLLOKOSA-N 0 0 384.545 3.764 20 10 GHCDRN Cc1nc2cc(F)ccc2cc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856209993 881043997 /nfs/dbraw/zinc/04/39/97/881043997.db2.gz KVIUZARITBQUNH-UHFFFAOYSA-N 0 0 393.462 3.573 20 10 GHCDRN C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000856210305 881044376 /nfs/dbraw/zinc/04/43/76/881044376.db2.gz WVJPCGGFVXNYQV-KKSFZXQISA-N 0 0 382.504 3.613 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCSc2ccccc21 ZINC000856211303 881045369 /nfs/dbraw/zinc/04/53/69/881045369.db2.gz LFDRGKLVRYTVCH-HXUWFJFHSA-N 0 0 382.529 3.544 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cc(F)c(Cl)cc1F ZINC000856211810 881046198 /nfs/dbraw/zinc/04/61/98/881046198.db2.gz BZOLZRHUXGSAAU-UHFFFAOYSA-N 0 0 380.822 3.509 20 10 GHCDRN CC(C)c1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1[N+](=O)[O-] ZINC000856211982 881046614 /nfs/dbraw/zinc/04/66/14/881046614.db2.gz DPKPMEGYLNFLHM-UHFFFAOYSA-N 0 0 397.475 3.609 20 10 GHCDRN CC(C)c1ccccc1OCCC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856212081 881046778 /nfs/dbraw/zinc/04/67/78/881046778.db2.gz HGDGHUNGPFZBIE-UHFFFAOYSA-N 0 0 396.531 3.856 20 10 GHCDRN CC(C)(C)Sc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)ccn1 ZINC000856211950 881046992 /nfs/dbraw/zinc/04/69/92/881046992.db2.gz DKWCGBJGKBSAOE-UHFFFAOYSA-N 0 0 399.560 3.863 20 10 GHCDRN CC(C)(C)OC(=O)[C@H]1c2ccccc2CCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000856483701 881279893 /nfs/dbraw/zinc/27/98/93/881279893.db2.gz JKTOVJIAKPUFGO-FYJQUHEMSA-N 0 0 395.455 3.579 20 10 GHCDRN CC(C)c1ccc(NC(=O)CN(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000152985071 881295719 /nfs/dbraw/zinc/29/57/19/881295719.db2.gz WTTWOWDSZYDZJT-UHFFFAOYSA-N 0 0 381.520 3.717 20 10 GHCDRN C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1cc(Br)c(F)cc1[O-] ZINC000858479370 883130596 /nfs/dbraw/zinc/13/05/96/883130596.db2.gz PVHFUQRVJXCVSJ-UWVGGRQHSA-N 0 0 381.236 3.674 20 10 GHCDRN Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccc4c(c3)CCCN4C)c12 ZINC000116153722 883159575 /nfs/dbraw/zinc/15/95/75/883159575.db2.gz OVGNOIKWJFLKFX-UHFFFAOYSA-N 0 0 376.460 3.721 20 10 GHCDRN C[C@H](NC(c1ccnn1C)c1ccnn1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000858582514 883213958 /nfs/dbraw/zinc/21/39/58/883213958.db2.gz XJWPZKJKCKXCEQ-INIZCTEOSA-N 0 0 396.514 3.723 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3[C@H]4Cc5c(cccc5Cl)[C@@H]34)C2)cc1 ZINC000858600212 883224782 /nfs/dbraw/zinc/22/47/82/883224782.db2.gz UQSHBPIUAGHMCP-SBHNUVDQSA-N 0 0 397.906 3.565 20 10 GHCDRN COc1ccc2c(c1)OCC(C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)=C2 ZINC001129814760 883224868 /nfs/dbraw/zinc/22/48/68/883224868.db2.gz KNMVKLLHAJZDMN-INIZCTEOSA-N 0 0 380.488 3.593 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000858625914 883241268 /nfs/dbraw/zinc/24/12/68/883241268.db2.gz GPGJBNDSLCYITK-RTBURBONSA-N 0 0 386.442 3.611 20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)c3ccc(C(F)F)o3)cc2F)C[C@H](C)O1 ZINC000858626318 883243137 /nfs/dbraw/zinc/24/31/37/883243137.db2.gz YHBJRMUNMQNBSG-RYUDHWBXSA-N 0 0 382.382 3.900 20 10 GHCDRN Cc1cc(O)c(CN2CCO[C@H](CNC(=O)OC(C)(C)C)C2)cc1C(C)C ZINC000774655712 912686885 /nfs/dbraw/zinc/68/68/85/912686885.db2.gz HBXJWERNZFRYMG-QGZVFWFLSA-N 0 0 378.513 3.550 20 10 GHCDRN COC(=O)COc1ccc(N(C)Cc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000183799746 883289240 /nfs/dbraw/zinc/28/92/40/883289240.db2.gz POWBNSUZPCFIRE-UHFFFAOYSA-N 0 0 387.823 3.578 20 10 GHCDRN COc1ccc(F)c2[nH]c(C(=O)NCc3cc(Br)ccc3O)cc21 ZINC000804740530 883299882 /nfs/dbraw/zinc/29/98/82/883299882.db2.gz IVSJGDXTOHJLEE-UHFFFAOYSA-N 0 0 393.212 3.714 20 10 GHCDRN COc1cccc2[nH]cc(CC(=O)NCc3cc(Br)ccc3O)c21 ZINC000804737436 883320242 /nfs/dbraw/zinc/32/02/42/883320242.db2.gz RIHCUKHVSSUZFQ-UHFFFAOYSA-N 0 0 389.249 3.504 20 10 GHCDRN CCCOc1ccc(OCC(=O)NCc2cc(Br)ccc2O)cc1 ZINC000804736942 883320605 /nfs/dbraw/zinc/32/06/05/883320605.db2.gz FSTOOVVVCGJJTG-UHFFFAOYSA-N 0 0 394.265 3.639 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000804738741 883323210 /nfs/dbraw/zinc/32/32/10/883323210.db2.gz CEPWPNOMSXGUKQ-UHFFFAOYSA-N 0 0 385.601 3.646 20 10 GHCDRN Cc1cc(C(=O)N(CC(=O)N2CCCCCC2)C(C)C)c(C)n1-c1ccccn1 ZINC000804760718 883336722 /nfs/dbraw/zinc/33/67/22/883336722.db2.gz YEQKOUMSGSOSFU-UHFFFAOYSA-N 0 0 396.535 3.742 20 10 GHCDRN Cc1ccc(CO[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000858785051 883356294 /nfs/dbraw/zinc/35/62/94/883356294.db2.gz CNGJFMDDHFVNBV-RTBURBONSA-N 0 0 382.504 3.614 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000858802548 883365757 /nfs/dbraw/zinc/36/57/57/883365757.db2.gz KKBLGFOVHHPGMY-IBGZPJMESA-N 0 0 390.487 3.578 20 10 GHCDRN COC(=O)c1sc(NCc2cc(Br)ccc2O)nc1Cl ZINC000804828159 883390783 /nfs/dbraw/zinc/39/07/83/883390783.db2.gz JOXAWYQJKWPCKH-UHFFFAOYSA-N 0 0 377.647 3.663 20 10 GHCDRN Cc1cc(CNC(=O)N2CCC[C@@H]2c2nc(C)no2)c(C)n1-c1ccccc1 ZINC000858905810 883445411 /nfs/dbraw/zinc/44/54/11/883445411.db2.gz DAENOSQOHZREQF-LJQANCHMSA-N 0 0 379.464 3.832 20 10 GHCDRN Cc1cc(CNC(=O)N2CCC[C@H](c3nccn3C)C2)c(C)n1-c1ccccc1 ZINC000858906226 883445555 /nfs/dbraw/zinc/44/55/55/883445555.db2.gz QYSUEIALXDBAPO-IBGZPJMESA-N 0 0 391.519 3.917 20 10 GHCDRN CC(C)Oc1ccc(CNC(=O)NCc2cc(Br)ccc2O)cc1 ZINC000804894536 883460630 /nfs/dbraw/zinc/46/06/30/883460630.db2.gz ILCKIUPAMNPGMK-UHFFFAOYSA-N 0 0 393.281 3.941 20 10 GHCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(C=O)ccc2F)cc1 ZINC000858927732 883468472 /nfs/dbraw/zinc/46/84/72/883468472.db2.gz NUFXYQIJEOEZHD-LJQANCHMSA-N 0 0 384.451 3.526 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCC(c3ncc[nH]3)CC2)ccc1C ZINC000858929227 883469774 /nfs/dbraw/zinc/46/97/74/883469774.db2.gz BGTPDMCQKDJNIG-UHFFFAOYSA-N 0 0 390.487 3.958 20 10 GHCDRN C[C@@H]1CCCC[C@H]1OCCNC(=O)NCc1cc(Br)ccc1O ZINC000804957020 883510821 /nfs/dbraw/zinc/51/08/21/883510821.db2.gz LXCRSABXDCWRGO-MLGOLLRUSA-N 0 0 385.302 3.549 20 10 GHCDRN CO[C@H](C)c1nc(C)c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000175267788 883544902 /nfs/dbraw/zinc/54/49/02/883544902.db2.gz PWVDFYNLIVAIPI-GDBMZVCRSA-N 0 0 390.505 3.686 20 10 GHCDRN O=S(=O)(c1cnc(Cl)c(F)c1)N(Cc1ccccc1O)C1CCCC1 ZINC000805010804 883550935 /nfs/dbraw/zinc/55/09/35/883550935.db2.gz MLQOMOGVEBPBNL-UHFFFAOYSA-N 0 0 384.860 3.713 20 10 GHCDRN COc1cccc(CNC(=O)c2ccc(N3CCc4ccccc4C3)cc2)c1O ZINC000729859321 883570462 /nfs/dbraw/zinc/57/04/62/883570462.db2.gz OARITMZFFHYCHQ-UHFFFAOYSA-N 0 0 388.467 3.894 20 10 GHCDRN COc1cccc(C[C@@H](C)NC(=O)NCc2cc(Br)ccc2O)c1 ZINC000805108568 883584837 /nfs/dbraw/zinc/58/48/37/883584837.db2.gz LKBBBYHEMVXKRZ-GFCCVEGCSA-N 0 0 393.281 3.594 20 10 GHCDRN CC(C)(C)c1csc(CNC(=O)NCc2cc(Br)ccc2O)n1 ZINC000805078999 883597255 /nfs/dbraw/zinc/59/72/55/883597255.db2.gz NAXXDWVYVUMNKH-UHFFFAOYSA-N 0 0 398.326 3.908 20 10 GHCDRN Cc1nc(Cl)c(Cl)cc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000805167520 883650869 /nfs/dbraw/zinc/65/08/69/883650869.db2.gz KPWMTPTXNUCZRD-UHFFFAOYSA-N 0 0 398.265 3.603 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Nc3cc(F)c(OC)cc3C)CC2)cc1 ZINC000186750997 883698867 /nfs/dbraw/zinc/69/88/67/883698867.db2.gz PUJMJSXUJCVIOU-UHFFFAOYSA-N 0 0 387.455 3.896 20 10 GHCDRN COc1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c(Cl)n1 ZINC000761694827 883715462 /nfs/dbraw/zinc/71/54/62/883715462.db2.gz SFWKCINQLNPZNB-UHFFFAOYSA-N 0 0 392.912 3.619 20 10 GHCDRN CC(C)C[C@H]1C[C@@H](NC(=O)NCc2cc(Br)ccc2O)CCO1 ZINC000805270467 883729470 /nfs/dbraw/zinc/72/94/70/883729470.db2.gz XNUKCSUHUQERFT-GJZGRUSLSA-N 0 0 385.302 3.548 20 10 GHCDRN CSCCCN1C(=O)/C(=C\c2cccc(-n3cccn3)c2)SC1=S ZINC000760219868 883809205 /nfs/dbraw/zinc/80/92/05/883809205.db2.gz XSEZDFJDGJDFNM-NTCAYCPXSA-N 0 0 375.544 3.827 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)OCCc2cn(C)nn2)cc1 ZINC000859446601 883820497 /nfs/dbraw/zinc/82/04/97/883820497.db2.gz IRPQSEZOJHLMBC-UHFFFAOYSA-N 0 0 378.436 3.696 20 10 GHCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc4sccc4c3)cc2)C1 ZINC000760380070 884036545 /nfs/dbraw/zinc/03/65/45/884036545.db2.gz ZRJPXDBSLADYLJ-SFHVURJKSA-N 0 0 393.512 3.533 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H]2CCN(C(C)(C)C)C2=O)c1 ZINC001130347081 884036621 /nfs/dbraw/zinc/03/66/21/884036621.db2.gz ZCMGHXFIVRGFGI-GOSISDBHSA-N 0 0 387.911 3.877 20 10 GHCDRN CC(=O)NCC[C@H]1CCCN(CC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000805824774 884135964 /nfs/dbraw/zinc/13/59/64/884135964.db2.gz FCWUAEBNZQHZLF-OAQYLSRUSA-N 0 0 395.547 3.823 20 10 GHCDRN CC(=O)NCC[C@H]1CCCN(CC(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000805822546 884135988 /nfs/dbraw/zinc/13/59/88/884135988.db2.gz PABBEQGDUFRIEK-HXUWFJFHSA-N 0 0 381.520 3.515 20 10 GHCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)[C@@H]1CCN1Cc1ccccc1 ZINC001183746725 912791495 /nfs/dbraw/zinc/79/14/95/912791495.db2.gz DZSFTKNNKKQSQP-DWKRLFEISA-N 0 0 386.459 3.880 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccsc3C(F)(F)F)CC2)cc1F ZINC000859965786 884218127 /nfs/dbraw/zinc/21/81/27/884218127.db2.gz HESJASFOOVWISM-UHFFFAOYSA-N 0 0 388.386 3.877 20 10 GHCDRN C[C@H]1CCC[C@H](CCNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000805929152 884227532 /nfs/dbraw/zinc/22/75/32/884227532.db2.gz ZTCKTLNDMUMNLH-ZWKOTPCHSA-N 0 0 398.503 3.847 20 10 GHCDRN COc1cccc2c1CC[C@@H]2NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000154799676 884261146 /nfs/dbraw/zinc/26/11/46/884261146.db2.gz XCSVBLAPEYQDFW-XLIONFOSSA-N 0 0 396.487 3.779 20 10 GHCDRN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897653895 884278139 /nfs/dbraw/zinc/27/81/39/884278139.db2.gz YIOGSNYNUQRFJL-BEAPCOKYSA-N 0 0 375.490 3.714 20 10 GHCDRN CCC[C@]1(COC)CCCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000774685106 912807654 /nfs/dbraw/zinc/80/76/54/912807654.db2.gz PLFKXCWKLWYMHF-OAQYLSRUSA-N 0 0 391.581 3.731 20 10 GHCDRN Nc1ccc(CCNC(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000841955690 884311883 /nfs/dbraw/zinc/31/18/83/884311883.db2.gz JXQLHCKLOBQQEG-HXUWFJFHSA-N 0 0 387.911 3.620 20 10 GHCDRN Nc1ccc(CCNC(=O)N2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000841959490 884338037 /nfs/dbraw/zinc/33/80/37/884338037.db2.gz XZLPBAVZRLTRBA-GOSISDBHSA-N 0 0 383.883 3.888 20 10 GHCDRN CC[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1cccc(Cl)c1[O-] ZINC000806138009 884358271 /nfs/dbraw/zinc/35/82/71/884358271.db2.gz QJSFCTRPVRXRQJ-KRWDZBQOSA-N 0 0 383.897 3.569 20 10 GHCDRN C[C@@H](c1ccccc1Cl)N1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841963335 884368720 /nfs/dbraw/zinc/36/87/20/884368720.db2.gz YQSLOIPIDGEWAN-INIZCTEOSA-N 0 0 386.927 3.553 20 10 GHCDRN CC[C@H]([NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000806155060 884412956 /nfs/dbraw/zinc/41/29/56/884412956.db2.gz MEJPYBLYWJGNRS-CIISACIHSA-N 0 0 397.306 3.667 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c1 ZINC000860241006 884472826 /nfs/dbraw/zinc/47/28/26/884472826.db2.gz DZKCEKCCOIPGAB-PZDGAKPMSA-N 0 0 395.377 3.760 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@H]1c2ccccc2OC[C@H]1CO ZINC000897948390 884525562 /nfs/dbraw/zinc/52/55/62/884525562.db2.gz MYHMRWXOIUKFJM-BDJLRTHQSA-N 0 0 398.684 3.640 20 10 GHCDRN Cc1cccc(NC(=S)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1 ZINC000914704310 884558089 /nfs/dbraw/zinc/55/80/89/884558089.db2.gz YJSUFSXFODLDOL-UHFFFAOYSA-N 0 0 389.424 3.602 20 10 GHCDRN Cc1cc(CCNC(=O)N2CC[C@]3(C2)CCCOC3)c(C)n1-c1ccccc1 ZINC000806344764 884602810 /nfs/dbraw/zinc/60/28/10/884602810.db2.gz OHNRFDRSIRBLJA-QHCPKHFHSA-N 0 0 381.520 3.849 20 10 GHCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cc2ccccc2nc1N1CCOCC1 ZINC000898219696 884636977 /nfs/dbraw/zinc/63/69/77/884636977.db2.gz JRNBNLZAERFYME-UHFFFAOYSA-N 0 0 383.879 3.720 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCc1cnc(C2CC2)nc1 ZINC000860418170 884659277 /nfs/dbraw/zinc/65/92/77/884659277.db2.gz KEKWHYBOBBNERH-UHFFFAOYSA-N 0 0 388.471 3.547 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000860460761 884696690 /nfs/dbraw/zinc/69/66/90/884696690.db2.gz AGVFBZITGRTSEM-GASCZTMLSA-N 0 0 387.455 3.775 20 10 GHCDRN COCCN(Cc1ccco1)C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000914759304 884720807 /nfs/dbraw/zinc/72/08/07/884720807.db2.gz XOKVLWGJBYQBJC-UHFFFAOYSA-N 0 0 382.460 3.985 20 10 GHCDRN CC[C@H](C)n1ncc(NC(=O)NCc2cc(Br)ccc2O)c1C ZINC000806452619 884722361 /nfs/dbraw/zinc/72/23/61/884722361.db2.gz FFDZOKMBGYWCQP-JTQLQIEISA-N 0 0 381.274 3.952 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC[C@H]2[C@H]2CCCC2=O)c1 ZINC000860483011 884725451 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ZINC000808486632 886398036 /nfs/dbraw/zinc/39/80/36/886398036.db2.gz GOXXFXWQUXIEMX-UHFFFAOYSA-N 0 0 381.211 3.887 20 10 GHCDRN C[C@@H](Nc1cnn(-c2ccccn2)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000777265366 886450851 /nfs/dbraw/zinc/45/08/51/886450851.db2.gz LXUODGFMUONUGJ-OAHLLOKOSA-N 0 0 383.883 3.930 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)N2CCc3sccc3C2)cc1 ZINC000014179666 886485703 /nfs/dbraw/zinc/48/57/03/886485703.db2.gz ODSMYYWZIYIHIO-UHFFFAOYSA-N 0 0 394.496 3.897 20 10 GHCDRN CC(=O)C(=O)COC(=O)c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC000808546783 886502693 /nfs/dbraw/zinc/50/26/93/886502693.db2.gz AWDMDEPDJOAUFY-UHFFFAOYSA-N 0 0 381.211 3.887 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)c2cccc3c2CN(C(=O)OC(C)(C)C)C3)c1 ZINC000862754168 886583792 /nfs/dbraw/zinc/58/37/92/886583792.db2.gz SNPGMEHKPXHIOH-UHFFFAOYSA-N 0 0 382.460 3.881 20 10 GHCDRN Cc1cc(-c2noc(CN(C)Cc3ccc(N4CCOCC4)cc3)n2)ccc1F ZINC000119393042 887005354 /nfs/dbraw/zinc/00/53/54/887005354.db2.gz LILROVILHLVLJO-UHFFFAOYSA-N 0 0 396.466 3.653 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000127658880 887086457 /nfs/dbraw/zinc/08/64/57/887086457.db2.gz KLYDJJOLWWZDNV-UHFFFAOYSA-N 0 0 398.463 3.964 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H](O)Cc1c[nH]c2ccccc12 ZINC001184306409 913117122 /nfs/dbraw/zinc/11/71/22/913117122.db2.gz JXDZQHGWIZZSHT-KNQAVFIVSA-N 0 0 392.499 3.834 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H](O)Cc1c[nH]c2ccccc12 ZINC001184306410 913117228 /nfs/dbraw/zinc/11/72/28/913117228.db2.gz JXDZQHGWIZZSHT-SIKLNZKXSA-N 0 0 392.499 3.834 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCC[C@H](SCC)C1 ZINC000809235500 887217600 /nfs/dbraw/zinc/21/76/00/887217600.db2.gz KKGRJMNIMAUGHD-ROUUACIJSA-N 0 0 392.565 3.701 20 10 GHCDRN Cc1ccc(NC(=O)NCCCSc2nccs2)cc1C(=O)NC(C)C ZINC000153680151 887297522 /nfs/dbraw/zinc/29/75/22/887297522.db2.gz AKDDEFJPMPLHGN-UHFFFAOYSA-N 0 0 392.550 3.894 20 10 GHCDRN Cc1cc(C2(NC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CCOCC2)on1 ZINC000863713547 887318585 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COc1ccc(N2CCC(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)cc1 ZINC000119963430 887684643 /nfs/dbraw/zinc/68/46/43/887684643.db2.gz ZUBUYNOZRVMIRM-UHFFFAOYSA-N 0 0 389.839 3.656 20 10 GHCDRN CC[C@H](C)NS(=O)(=O)c1cccc(NCc2cc(Cl)cc(F)c2O)c1 ZINC000809684817 887704530 /nfs/dbraw/zinc/70/45/30/887704530.db2.gz OVZQEDWQTUVZHK-NSHDSACASA-N 0 0 386.876 3.874 20 10 GHCDRN COc1ccc(C(=O)N2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)cc1 ZINC000809733799 887716267 /nfs/dbraw/zinc/71/62/67/887716267.db2.gz IQFNUBQFLCFKKK-UHFFFAOYSA-N 0 0 393.531 3.644 20 10 GHCDRN Cc1nn(-c2ccccn2)c(Cl)c1/C=C1/SC(N2CCCCC2)=NC1=O ZINC000794695010 887863982 /nfs/dbraw/zinc/86/39/82/887863982.db2.gz KHEILZTUCPPALI-SDNWHVSQSA-N 0 0 387.896 3.685 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3nc4ccccc4cc3Cl)CC2)cc1 ZINC000809940649 887991460 /nfs/dbraw/zinc/99/14/60/887991460.db2.gz OOMMXEWOHHHNJU-UHFFFAOYSA-N 0 0 381.863 3.859 20 10 GHCDRN COc1ccc(CNC(=O)Nc2c(C)cc(Br)cc2OC)c(O)c1 ZINC000794761950 888000886 /nfs/dbraw/zinc/00/08/86/888000886.db2.gz 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888344348 /nfs/dbraw/zinc/34/43/48/888344348.db2.gz OMSHNUYCOZVGOX-UHFFFAOYSA-N 0 0 396.716 3.624 20 10 GHCDRN O=C(Nc1nc2cc(Cl)ccn2n1)N(Cc1ccco1)Cc1ccccc1O ZINC000810248677 888348331 /nfs/dbraw/zinc/34/83/31/888348331.db2.gz ALHXJDDPRLDCMU-UHFFFAOYSA-N 0 0 397.822 3.916 20 10 GHCDRN CCOCc1nc([C@@H](C)N[C@H](C)c2cc(Br)cc(F)c2[O-])no1 ZINC000810255550 888358906 /nfs/dbraw/zinc/35/89/06/888358906.db2.gz MADRZTGSFMYFIN-RKDXNWHRSA-N 0 0 388.237 3.625 20 10 GHCDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000810319194 888428852 /nfs/dbraw/zinc/42/88/52/888428852.db2.gz AVHBKFPCDDXGTR-OAHLLOKOSA-N 0 0 398.463 3.877 20 10 GHCDRN Cc1cc(CNC(=O)c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1 ZINC001132264582 888487765 /nfs/dbraw/zinc/48/77/65/888487765.db2.gz WWGHGDQTVWBEEH-UHFFFAOYSA-N 0 0 389.499 3.861 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000915885154 888498005 /nfs/dbraw/zinc/49/80/05/888498005.db2.gz SWDRPDGVXVEKEP-JOCHJYFZSA-N 0 0 379.504 3.742 20 10 GHCDRN CC(=O)Nc1ccc(NC(=S)NNc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000916022400 888635848 /nfs/dbraw/zinc/63/58/48/888635848.db2.gz HXPBJPGQMSPZMT-UHFFFAOYSA-N 0 0 379.829 3.520 20 10 GHCDRN CN1C(=O)/C(=C/c2cncc(Br)c2)c2cc(Br)cnc21 ZINC000794879490 888658185 /nfs/dbraw/zinc/65/81/85/888658185.db2.gz RQJUVYGDWJXZRB-KGVSQERTSA-N 0 0 395.054 3.519 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)c2nc(N3CCCC3)ncc2Cl)C2CC2)cc1 ZINC000916046355 888659399 /nfs/dbraw/zinc/65/93/99/888659399.db2.gz NMGFORKRXZAPCC-UHFFFAOYSA-N 0 0 399.926 3.601 20 10 GHCDRN COCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(N(C)C)cc1C(F)(F)F ZINC000794897784 888766589 /nfs/dbraw/zinc/76/65/89/888766589.db2.gz AZJXAACGVLYVKC-SFHVURJKSA-N 0 0 393.409 3.984 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000120995061 888808980 /nfs/dbraw/zinc/80/89/80/888808980.db2.gz SXTOTFNMTFYAET-UHFFFAOYSA-N 0 0 397.200 3.864 20 10 GHCDRN COc1cccc2c1OCC(C(=O)N(Cc1ccco1)Cc1ccccc1O)=C2 ZINC000121037686 888845773 /nfs/dbraw/zinc/84/57/73/888845773.db2.gz 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CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](C)N1CCc2ccccc21 ZINC000916622737 889197422 /nfs/dbraw/zinc/19/74/22/889197422.db2.gz JUIYITNZMXIKKU-SFHVURJKSA-N 0 0 380.536 3.735 20 10 GHCDRN COc1ccc(N2CCN(CC(=O)Nc3c(C)cc(C)cc3C)CC2)cc1F ZINC000122053051 889352702 /nfs/dbraw/zinc/35/27/02/889352702.db2.gz XLVGXQRHRCXKKD-UHFFFAOYSA-N 0 0 385.483 3.520 20 10 GHCDRN CCCn1c(CO)nnc1SCC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000122068705 889360637 /nfs/dbraw/zinc/36/06/37/889360637.db2.gz GXKPGERWTFZGEF-UHFFFAOYSA-N 0 0 384.505 3.563 20 10 GHCDRN C[C@H](NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1ccccc1O ZINC000868547729 889494877 /nfs/dbraw/zinc/49/48/77/889494877.db2.gz IEZUVVDWIHIZOP-QLFBSQMISA-N 0 0 377.485 3.540 20 10 GHCDRN Cc1cc(Br)c(O)c(CN[C@@H](C)c2noc(COC(C)C)n2)c1 ZINC000811519180 889672617 /nfs/dbraw/zinc/67/26/17/889672617.db2.gz XCRNOFPIEAWNOQ-NSHDSACASA-N 0 0 384.274 3.622 20 10 GHCDRN Cc1cc(Br)cc(CN2C[C@H](C)NC(=O)c3ccccc32)c1O ZINC000811509235 889700883 /nfs/dbraw/zinc/70/08/83/889700883.db2.gz 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Cc1ccc2nc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)ccc2c1 ZINC000815115127 893448757 /nfs/dbraw/zinc/44/87/57/893448757.db2.gz VYUUZPKJWFZJTG-KRWDZBQOSA-N 0 0 375.472 3.871 20 10 GHCDRN Cc1ccccc1C1(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000825952826 893554935 /nfs/dbraw/zinc/55/49/35/893554935.db2.gz MEJIZDSTFGIHEF-SFHVURJKSA-N 0 0 379.504 3.881 20 10 GHCDRN CCOC(=O)[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cccc(C)c1C ZINC000877425919 893598025 /nfs/dbraw/zinc/59/80/25/893598025.db2.gz HURWVLOXUAVAMD-HSZRJFAPSA-N 0 0 396.531 3.659 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)NOCc2ccc(C(F)(F)F)cc2)c1 ZINC000126558171 893640383 /nfs/dbraw/zinc/64/03/83/893640383.db2.gz ARXIKUSKMLKRAR-NSHDSACASA-N 0 0 384.354 3.912 20 10 GHCDRN CC(C)CNC(=O)c1ccc(NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000877494761 893645468 /nfs/dbraw/zinc/64/54/68/893645468.db2.gz SUMVBTSSGWLKKQ-UHFFFAOYSA-N 0 0 381.520 3.646 20 10 GHCDRN Cc1cc(C(=O)CN2CCC[C@@H](O)CC2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000815298576 893668023 /nfs/dbraw/zinc/66/80/23/893668023.db2.gz SJUYDHAXZNOGNF-MRXNPFEDSA-N 0 0 378.875 3.916 20 10 GHCDRN O=C(NCc1ccc(Br)cc1O)Nc1ccc(F)c(F)c1F ZINC001185351087 913806264 /nfs/dbraw/zinc/80/62/64/913806264.db2.gz BIDPWYQHUISZMT-UHFFFAOYSA-N 0 0 375.144 3.894 20 10 GHCDRN CCCOc1ccc(CNc2cccc(N3C(=O)N[C@H](C)C3=O)c2C)c(O)c1 ZINC000288584156 913813026 /nfs/dbraw/zinc/81/30/26/913813026.db2.gz OBJFQMKOZJGMAD-CQSZACIVSA-N 0 0 383.448 3.546 20 10 GHCDRN Cc1nc(CN(C)Cc2ccc(N3CCOCC3)cc2)sc1Br ZINC000877923144 893895261 /nfs/dbraw/zinc/89/52/61/893895261.db2.gz JYJFLSWCDONKEJ-UHFFFAOYSA-N 0 0 396.354 3.683 20 10 GHCDRN C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1-n1cccn1 ZINC000126854852 893961437 /nfs/dbraw/zinc/96/14/37/893961437.db2.gz RONAMLRWJVMRJI-QGZVFWFLSA-N 0 0 377.492 3.841 20 10 GHCDRN COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])c1 ZINC000815556940 893994777 /nfs/dbraw/zinc/99/47/77/893994777.db2.gz IWGFXEHXMDDALJ-MEDUHNTESA-N 0 0 385.382 3.812 20 10 GHCDRN C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000815560842 894000672 /nfs/dbraw/zinc/00/06/72/894000672.db2.gz RQNFOLWZYXHBDS-ZDUSSCGKSA-N 0 0 396.409 3.729 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)[C@@H]2CCCCN2C(=O)c2ccco2)C2CC2)cc1 ZINC000918565823 894007818 /nfs/dbraw/zinc/00/78/18/894007818.db2.gz VNBXOKOMKZYRNE-FQEVSTJZSA-N 0 0 395.503 3.532 20 10 GHCDRN COCCNC(=O)c1cccc(N[C@H](C)c2cccc(C(F)(F)F)c2O)c1 ZINC000815624548 894056254 /nfs/dbraw/zinc/05/62/54/894056254.db2.gz BNTZPOHQHFCOHO-GFCCVEGCSA-N 0 0 382.382 3.960 20 10 GHCDRN COc1ccc(N(Cc2cccs2)Cc2nc3c(c(=O)[nH]2)COCC3)cc1 ZINC000878232547 894115562 /nfs/dbraw/zinc/11/55/62/894115562.db2.gz GRUOMTCOPPSKBY-UHFFFAOYSA-N 0 0 383.473 3.532 20 10 GHCDRN C[C@@H](NC(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000878300065 894177378 /nfs/dbraw/zinc/17/73/78/894177378.db2.gz AOSWREVXXHQQJM-YESZJQIVSA-N 0 0 383.492 3.884 20 10 GHCDRN C[C@H](c1ccccc1)N(Cc1cn(C[C@@H]2CCOC2)nn1)Cc1ccccc1O ZINC000878325234 894195998 /nfs/dbraw/zinc/19/59/98/894195998.db2.gz IZTHEHUHDZPDGY-MOPGFXCFSA-N 0 0 392.503 3.784 20 10 GHCDRN CCc1ncnc(CC)c1C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000815797451 894216422 /nfs/dbraw/zinc/21/64/22/894216422.db2.gz PYGLDXASAGZPIT-UHFFFAOYSA-N 0 0 392.297 3.732 20 10 GHCDRN Cc1nsc(C)c1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000815835603 894245375 /nfs/dbraw/zinc/24/53/75/894245375.db2.gz YZCBINMFHMVWDE-OAHLLOKOSA-N 0 0 379.913 3.513 20 10 GHCDRN COC(=O)c1cc(C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)c[nH]1 ZINC000815951577 894353949 /nfs/dbraw/zinc/35/39/49/894353949.db2.gz JHEHRUOOBVKFBF-HNNXBMFYSA-N 0 0 378.428 3.911 20 10 GHCDRN COc1ccc(CNC(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)cc1 ZINC001135541863 894755347 /nfs/dbraw/zinc/75/53/47/894755347.db2.gz PMSPMEYXUFMCSI-UHFFFAOYSA-N 0 0 376.456 3.774 20 10 GHCDRN Cc1ccc([C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])N2CCOCC2)cc1 ZINC000816536523 894905802 /nfs/dbraw/zinc/90/58/02/894905802.db2.gz AWHOSQXPAIJGPE-LJQANCHMSA-N 0 0 378.875 3.656 20 10 GHCDRN O=C(CCc1ccccc1)N1CC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816556601 894941500 /nfs/dbraw/zinc/94/15/00/894941500.db2.gz NYAPUIPAANQHID-MRXNPFEDSA-N 0 0 376.859 3.508 20 10 GHCDRN C[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1ccccc1O ZINC000879282497 894950947 /nfs/dbraw/zinc/95/09/47/894950947.db2.gz RLRXGOLUTXBVJM-AWEZNQCLSA-N 0 0 379.460 3.964 20 10 GHCDRN CC[C@@H]1NC(=O)N(c2cccc(NCc3ccc4ccccc4c3O)c2)C1=O ZINC000816596445 894960555 /nfs/dbraw/zinc/96/05/55/894960555.db2.gz CLKKVSCHPSAKKB-IBGZPJMESA-N 0 0 375.428 3.992 20 10 GHCDRN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NCc1cc(Cl)c(F)cc1O ZINC000816598948 894962335 /nfs/dbraw/zinc/96/23/35/894962335.db2.gz WYLMPCUKJDBFFA-GOSISDBHSA-N 0 0 378.831 3.715 20 10 GHCDRN O=C1COC[C@H](C[C@H]2CN(Cc3ccc4ccccc4c3O)c3ccccc32)N1 ZINC000816612750 894974984 /nfs/dbraw/zinc/97/49/84/894974984.db2.gz XNFOFOCFGKRBLW-OALUTQOASA-N 0 0 388.467 3.554 20 10 GHCDRN O=C(C[C@@H]1CC[C@@H](C(F)(F)F)O1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000936036906 895006697 /nfs/dbraw/zinc/00/66/97/895006697.db2.gz JFNOVNHMCUKFKD-JSGCOSHPSA-N 0 0 390.365 3.835 20 10 GHCDRN Cc1cc(C(=O)NCc2nc3ccccc3c(=O)[nH]2)c(C)n1-c1ccccc1C ZINC000816665092 895009731 /nfs/dbraw/zinc/00/97/31/895009731.db2.gz RWTROMCQLRWHPM-UHFFFAOYSA-N 0 0 386.455 3.981 20 10 GHCDRN O=C1N=C(N2CCOCC2)S/C1=C/c1cccc(OCc2ccc(F)cc2)c1 ZINC000040006808 895037060 /nfs/dbraw/zinc/03/70/60/895037060.db2.gz LUIQQSRQRLIELC-CPNJWEJPSA-N 0 0 398.459 3.707 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3cnc4ccccc4c3)cc2F)C[C@H](C)O1 ZINC000816891029 895166516 /nfs/dbraw/zinc/16/65/16/895166516.db2.gz GPKVUWMNVWCTCN-IYBDPMFKSA-N 0 0 393.462 3.918 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)c2cnc3c(cnn3Cc3ccccc3)c2)cc1 ZINC000023442468 895195557 /nfs/dbraw/zinc/19/55/57/895195557.db2.gz OSVCXSTUZQSHGN-UHFFFAOYSA-N 0 0 399.498 3.818 20 10 GHCDRN COc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1F ZINC000127912591 895195766 /nfs/dbraw/zinc/19/57/66/895195766.db2.gz RHPFZKQCRBMJQV-CYBMUJFWSA-N 0 0 394.393 3.835 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc2nc[nH]c2cc1F ZINC000816941064 895227821 /nfs/dbraw/zinc/22/78/21/895227821.db2.gz VJRDNXJOUOAZLO-UHFFFAOYSA-N 0 0 392.228 3.832 20 10 GHCDRN O=[N+]([O-])c1cnc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(F)c1 ZINC001185555200 913950780 /nfs/dbraw/zinc/95/07/80/913950780.db2.gz KSMRAKGUFWHZLK-NSHDSACASA-N 0 0 382.342 3.811 20 10 GHCDRN CC[C@H]1C[C@@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1 ZINC000817175289 895368569 /nfs/dbraw/zinc/36/85/69/895368569.db2.gz OQDGYSPNWGUCMY-RDJZCZTQSA-N 0 0 397.466 3.514 20 10 GHCDRN CC[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 ZINC000817174425 895368939 /nfs/dbraw/zinc/36/89/39/895368939.db2.gz GMYHCIUXSWLSNO-BFYDXBDKSA-N 0 0 397.466 3.514 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)/C=C/c2ccc(C(=O)OC(C)(C)C)o2)cc1 ZINC001135914762 895592033 /nfs/dbraw/zinc/59/20/33/895592033.db2.gz PCPAKTFCTLTRCG-WYMLVPIESA-N 0 0 384.476 3.973 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccn(C3CCSCC3)n2)c1 ZINC000880352218 895653847 /nfs/dbraw/zinc/65/38/47/895653847.db2.gz KAOSAHCZHQCEBI-GFCCVEGCSA-N 0 0 376.482 3.548 20 10 GHCDRN CCCN1C[C@@H](C[NH2+][C@@H](C)c2cc(Br)cc(Cl)c2[O-])CC1=O ZINC000817589046 895759792 /nfs/dbraw/zinc/75/97/92/895759792.db2.gz LFEDKQQYIZXOOY-WDEREUQCSA-N 0 0 389.721 3.717 20 10 GHCDRN CCS(=O)(=O)c1ccc(CC(=O)Oc2ccc3c(c2)c(C)c(C)n3C)cc1 ZINC000817762839 895894094 /nfs/dbraw/zinc/89/40/94/895894094.db2.gz YDGYUESEBBLVAR-UHFFFAOYSA-N 0 0 385.485 3.737 20 10 GHCDRN CC[C@H]1C[C@H](NC(=O)N(CC)Cc2cc(Br)ccc2O)CCO1 ZINC000817789225 895910018 /nfs/dbraw/zinc/91/00/18/895910018.db2.gz NCEQUCDORDJHMC-CABCVRRESA-N 0 0 385.302 3.644 20 10 GHCDRN Cc1ccc(CNC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c2ccccc12 ZINC000817834206 895917412 /nfs/dbraw/zinc/91/74/12/895917412.db2.gz ZWCGVEYGLBWVBP-KRWDZBQOSA-N 0 0 389.499 3.708 20 10 GHCDRN Nc1ccc(Cc2nc(C(=O)N(C[C@@H]3CCCO3)C3CCCC3)cs2)cc1 ZINC000817951290 895974933 /nfs/dbraw/zinc/97/49/33/895974933.db2.gz DAHKYXVMFAMVDD-SFHVURJKSA-N 0 0 385.533 3.880 20 10 GHCDRN COC[C@H](Cc1ccccc1)N(C)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817999121 895983620 /nfs/dbraw/zinc/98/36/20/895983620.db2.gz NEVIAGBQUMHDFY-IBGZPJMESA-N 0 0 395.528 3.646 20 10 GHCDRN CCCN(CCc1ccccn1)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817991986 895995064 /nfs/dbraw/zinc/99/50/64/895995064.db2.gz NNIHJPGGFSPXTM-UHFFFAOYSA-N 0 0 380.517 3.806 20 10 GHCDRN O=C(c1scnc1C1CC1)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001185693970 914024079 /nfs/dbraw/zinc/02/40/79/914024079.db2.gz KVTFPUUKTYQYKC-UHFFFAOYSA-N 0 0 397.422 3.882 20 10 GHCDRN Cc1ccc([C@H](C)NC(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)cc1C ZINC000302834566 914025782 /nfs/dbraw/zinc/02/57/82/914025782.db2.gz VDJUQPYKYBIBIA-SIKLNZKXSA-N 0 0 396.531 3.867 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)Nc3cnccc3C(F)(F)F)C2)cc1 ZINC000880964932 896031312 /nfs/dbraw/zinc/03/13/12/896031312.db2.gz QTLKMBBRUKDLTG-CYBMUJFWSA-N 0 0 394.397 3.757 20 10 GHCDRN C[C@H](F)CCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000818298623 896107312 /nfs/dbraw/zinc/10/73/12/896107312.db2.gz XPTRWCKCHNCZOK-KBICQTFXSA-N 0 0 386.539 3.594 20 10 GHCDRN Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)c1cccc(O)c1O ZINC000818343093 896121133 /nfs/dbraw/zinc/12/11/33/896121133.db2.gz MFBBFAQHDQBBFK-UHFFFAOYSA-N 0 0 388.221 3.513 20 10 GHCDRN COC(=O)c1cnc([C@H](C)N[C@H](C)c2ccc(Br)cc2O)s1 ZINC000818357706 896143844 /nfs/dbraw/zinc/14/38/44/896143844.db2.gz IITKZBSOCBYECV-BDAKNGLRSA-N 0 0 385.283 3.810 20 10 GHCDRN O=C(Cc1noc2ccccc12)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000128937976 896288459 /nfs/dbraw/zinc/28/84/59/896288459.db2.gz SWGCUPYEOBZMNR-UHFFFAOYSA-N 0 0 382.375 3.784 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=S)N[C@@H]3CCOc4ccccc43)C2)cc1 ZINC000819020744 896353049 /nfs/dbraw/zinc/35/30/49/896353049.db2.gz LCCOGPJXPLUHIS-OXJNMPFZSA-N 0 0 397.544 3.509 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=S)N[C@@H](C)Cc3ccccc3)C2)cc1 ZINC000819021066 896355362 /nfs/dbraw/zinc/35/53/62/896355362.db2.gz OQGHABLPCXTEQC-PKOBYXMFSA-N 0 0 383.561 3.617 20 10 GHCDRN CC(C)(C)OCc1cccc(CN2C(=O)CN(Cc3ccccc3O)C2=O)c1 ZINC000819168654 896442808 /nfs/dbraw/zinc/44/28/08/896442808.db2.gz UHUCRRIMTMVYOU-UHFFFAOYSA-N 0 0 382.460 3.672 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)c3ccnc(NC(=O)C4CC4)c3)cc2)CC1 ZINC000796270510 914072356 /nfs/dbraw/zinc/07/23/56/914072356.db2.gz HWHFZUCIGZINRK-UHFFFAOYSA-N 0 0 392.503 3.596 20 10 GHCDRN Cc1ccc(C2(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CCC2)cc1 ZINC000819333194 896575161 /nfs/dbraw/zinc/57/51/61/896575161.db2.gz LLJHQXNAXIIENF-UHFFFAOYSA-N 0 0 396.506 3.833 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@@H](O)CC2)c(C)n1-c1ccccc1Br ZINC000819312801 896605586 /nfs/dbraw/zinc/60/55/86/896605586.db2.gz NLDGVIPVFDRKSD-OAHLLOKOSA-N 0 0 391.309 3.844 20 10 GHCDRN Cc1cc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)c(C)n1-c1ccccc1C ZINC000041779957 896733275 /nfs/dbraw/zinc/73/32/75/896733275.db2.gz WAYYCJKZXRDSBX-UHFFFAOYSA-N 0 0 375.428 3.986 20 10 GHCDRN COCCC1CN(C(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)C1 ZINC000819569147 896814304 /nfs/dbraw/zinc/81/43/04/896814304.db2.gz FMBDPBYAMWMATA-UHFFFAOYSA-N 0 0 391.309 3.965 20 10 GHCDRN Cc1cc(C(=O)N2CCC(=O)CC2)c(C)n1-c1ccccc1Br ZINC000778566498 896820379 /nfs/dbraw/zinc/82/03/79/896820379.db2.gz KWHLXTYQDGXTSF-UHFFFAOYSA-N 0 0 375.266 3.662 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3ccc4cc(OC)ccc4n3)C2)cc1 ZINC000819580494 896821137 /nfs/dbraw/zinc/82/11/37/896821137.db2.gz KPEYQGNENPYNSX-MRXNPFEDSA-N 0 0 391.471 3.508 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3ccccc3OC(F)F)C2)cc1 ZINC000819580681 896824951 /nfs/dbraw/zinc/82/49/51/896824951.db2.gz NIURIICJFWYMFA-AWEZNQCLSA-N 0 0 376.403 3.553 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cc4cccc(OC)c4o3)C2)cc1 ZINC000819582349 896826568 /nfs/dbraw/zinc/82/65/68/896826568.db2.gz GROHUPPIZFYFDC-OAHLLOKOSA-N 0 0 380.444 3.706 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cc(-c4ccccc4)no3)C2)cc1 ZINC000819583941 896831568 /nfs/dbraw/zinc/83/15/68/896831568.db2.gz XHPPPWVDFUKJAQ-INIZCTEOSA-N 0 0 377.444 3.607 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)CCOc3cccc(Cl)c3)C2)cc1 ZINC000819584057 896831710 /nfs/dbraw/zinc/83/17/10/896831710.db2.gz YYBWEOGTYHQMJZ-MRXNPFEDSA-N 0 0 388.895 3.760 20 10 GHCDRN COc1ccc([C@@H](C)CC(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000819584111 896831985 /nfs/dbraw/zinc/83/19/85/896831985.db2.gz DHRSHRBRSINHDY-ROUUACIJSA-N 0 0 382.504 3.840 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)C[C@@H]3CCOc4ccccc43)C2)cc1 ZINC000819585134 896833307 /nfs/dbraw/zinc/83/33/07/896833307.db2.gz WYLFBMLROPPHBN-ROUUACIJSA-N 0 0 380.488 3.594 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cc(-c4ccc(F)cc4)on3)C2)cc1 ZINC000819584774 896834376 /nfs/dbraw/zinc/83/43/76/896834376.db2.gz QKWTWHNQNHBOMY-OAHLLOKOSA-N 0 0 395.434 3.746 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cccc([C@@H]4CCCOC4)c3)C2)cc1 ZINC000819586485 896835117 /nfs/dbraw/zinc/83/51/17/896835117.db2.gz QUADMUPNLZUDMO-GHTZIAJQSA-N 0 0 394.515 3.846 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3ccn(C4CCCCC4)n3)C2)cc1 ZINC000819586620 896836866 /nfs/dbraw/zinc/83/68/66/896836866.db2.gz ALMDJAWMWAUFJD-KRWDZBQOSA-N 0 0 382.508 3.653 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3ccc(OC4CC4)cc3OC)C2)cc1 ZINC000819590228 896839062 /nfs/dbraw/zinc/83/90/62/896839062.db2.gz XIMPUZQFESGMOB-INIZCTEOSA-N 0 0 396.487 3.501 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3ocnc3-c3ccccc3)C2)cc1 ZINC000819591742 896841208 /nfs/dbraw/zinc/84/12/08/896841208.db2.gz WDJJVYGUBUKBFL-MRXNPFEDSA-N 0 0 377.444 3.607 20 10 GHCDRN COCCC1CN(C(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)C1 ZINC000819568407 896853494 /nfs/dbraw/zinc/85/34/94/896853494.db2.gz RUIFEIFQUIMKQR-UHFFFAOYSA-N 0 0 391.309 3.965 20 10 GHCDRN Cc1cc(C(=O)NCCCCS(C)(=O)=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000819608291 896860382 /nfs/dbraw/zinc/86/03/82/896860382.db2.gz QZBWTEOQQWOUTR-UHFFFAOYSA-N 0 0 390.549 3.772 20 10 GHCDRN CN(C)c1ccc(CN(CN2CC3(CCCC3)OC2=O)CC(F)(F)F)cc1 ZINC000778573412 896933650 /nfs/dbraw/zinc/93/36/50/896933650.db2.gz UJDBHGVTRYBBKJ-UHFFFAOYSA-N 0 0 385.430 3.839 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(c2cccc(Cl)c2)CCOCC1 ZINC000819760595 896992195 /nfs/dbraw/zinc/99/21/95/896992195.db2.gz GIHXQMNWGLJSEK-UHFFFAOYSA-N 0 0 394.895 3.896 20 10 GHCDRN CNc1ccc(Cl)c(C(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000819840851 897015009 /nfs/dbraw/zinc/01/50/09/897015009.db2.gz GYRFTTVXFRZOPE-UHFFFAOYSA-N 0 0 375.925 3.865 20 10 GHCDRN Cc1cc(C(=O)NCC2CCN(CC(F)F)CC2)c(C)n1-c1ccc(F)cc1 ZINC000819926373 897055147 /nfs/dbraw/zinc/05/51/47/897055147.db2.gz OQCBQPFYNFAMMB-UHFFFAOYSA-N 0 0 393.453 3.940 20 10 GHCDRN COc1cccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1OC(C)C ZINC000819973904 897065034 /nfs/dbraw/zinc/06/50/34/897065034.db2.gz FBTKXCXGELFHJC-UHFFFAOYSA-N 0 0 398.503 3.591 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccnc1N1CCCC1 ZINC000820029551 897122744 /nfs/dbraw/zinc/12/27/44/897122744.db2.gz KTTPVPBPXJRPMD-UHFFFAOYSA-N 0 0 395.551 3.868 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CSCC(=O)OC(C)(C)C ZINC000130972803 897278014 /nfs/dbraw/zinc/27/80/14/897278014.db2.gz WMUXJQZRQLEXFR-UHFFFAOYSA-N 0 0 392.565 3.710 20 10 GHCDRN CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccc(OC)c(OC)c1 ZINC000289346040 914150950 /nfs/dbraw/zinc/15/09/50/914150950.db2.gz IMOHYHRSYVVXQT-CQSZACIVSA-N 0 0 376.409 3.567 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCO[C@@H](c2cnn(C)c2)C1 ZINC000820521754 897369087 /nfs/dbraw/zinc/36/90/87/897369087.db2.gz LLUQPLQXHWXFJO-FUHWJXTLSA-N 0 0 384.505 3.539 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)NCc3ccc4c(c3)OCCO4)c2C)cc1 ZINC000027097003 897394849 /nfs/dbraw/zinc/39/48/49/897394849.db2.gz BJZNLODYMDRMNR-UHFFFAOYSA-N 0 0 392.455 3.804 20 10 GHCDRN COc1c([O-])c(C[NH2+]CCc2csc(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000774950106 914176312 /nfs/dbraw/zinc/17/63/12/914176312.db2.gz CDPYXMUXNPYJCH-UHFFFAOYSA-N 0 0 385.445 3.765 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccnc1OCC(F)F ZINC000132545972 897821805 /nfs/dbraw/zinc/82/18/05/897821805.db2.gz ZMIAFVUESSBAQN-UHFFFAOYSA-N 0 0 392.450 3.523 20 10 GHCDRN O=C(CNc1cc(F)cc(F)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000028663486 897851590 /nfs/dbraw/zinc/85/15/90/897851590.db2.gz YWMMJOMRSMUZIV-UHFFFAOYSA-N 0 0 392.361 3.791 20 10 GHCDRN COc1cccc2[nH]c(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cc21 ZINC001136442821 897864250 /nfs/dbraw/zinc/86/42/50/897864250.db2.gz FZBIJBAOFFLGAG-HNNXBMFYSA-N 0 0 379.460 3.504 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC001185956836 914224142 /nfs/dbraw/zinc/22/41/42/914224142.db2.gz ZGQVONNDAYFCTE-UHFFFAOYSA-N 0 0 393.443 3.548 20 10 GHCDRN COc1ccc(-c2cc(CNC(=O)N(C)Cc3ccc(N(C)C)cc3)on2)cc1 ZINC000821968063 898169741 /nfs/dbraw/zinc/16/97/41/898169741.db2.gz CEBZOYFJXVRHCC-UHFFFAOYSA-N 0 0 394.475 3.758 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@]1(C)CC1(F)F ZINC000822422504 898363709 /nfs/dbraw/zinc/36/37/09/898363709.db2.gz AVVRDBHIPOKUTA-CQSZACIVSA-N 0 0 377.229 3.732 20 10 GHCDRN CCOC(=O)CN(Cc1c[nH]nc1-c1ccc(C)cc1)Cc1ccccc1O ZINC000822511987 898444516 /nfs/dbraw/zinc/44/45/16/898444516.db2.gz QDKWNOHNCLOCQZ-UHFFFAOYSA-N 0 0 379.460 3.656 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N[C@H](C)CCc3ccc(O)cc3)C2)cc1 ZINC000822597811 898520824 /nfs/dbraw/zinc/52/08/24/898520824.db2.gz HCTMYQZAXRWGFC-IEBWSBKVSA-N 0 0 397.519 3.548 20 10 GHCDRN CSc1c(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cnn1C ZINC000800048834 898535120 /nfs/dbraw/zinc/53/51/20/898535120.db2.gz IUCOKZBPPAQFSQ-CYBMUJFWSA-N 0 0 392.956 3.962 20 10 GHCDRN CCCOc1ccc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)c(OC)c1 ZINC000822656001 898536066 /nfs/dbraw/zinc/53/60/66/898536066.db2.gz HFOCWZOFFAFUGW-UHFFFAOYSA-N 0 0 398.503 3.845 20 10 GHCDRN CC[C@H](C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)N1CCCC1=O ZINC000800049183 898536138 /nfs/dbraw/zinc/53/61/38/898536138.db2.gz HEZDRXCVMCTYMZ-MAUKXSAKSA-N 0 0 391.943 3.594 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)C(C)(C)c3cnn(C)c3)cc2Cl)C1 ZINC000800050366 898537489 /nfs/dbraw/zinc/53/74/89/898537489.db2.gz UNSXLTPNOPLXTF-OAHLLOKOSA-N 0 0 388.943 3.904 20 10 GHCDRN COc1ccc(N2CCN(Cc3nnc(-c4ccccc4)s3)CC2)cc1F ZINC000155332204 898641070 /nfs/dbraw/zinc/64/10/70/898641070.db2.gz IHZBXEUTAXOOHH-UHFFFAOYSA-N 0 0 384.480 3.675 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3cc(Cl)c(N)c(Cl)c3)C2)cc1 ZINC000822835097 898665457 /nfs/dbraw/zinc/66/54/57/898665457.db2.gz DVJQLXAAAJANTO-NSHDSACASA-N 0 0 395.290 3.985 20 10 GHCDRN Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)nn1C(C)C ZINC000822883480 898684499 /nfs/dbraw/zinc/68/44/99/898684499.db2.gz FWXFMTVHXRZCEZ-FQEVSTJZSA-N 0 0 384.524 3.660 20 10 GHCDRN CSCC[C@H](C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000133627397 898774600 /nfs/dbraw/zinc/77/46/00/898774600.db2.gz XPXXKMBASSLZMR-ZDUSSCGKSA-N 0 0 387.496 3.698 20 10 GHCDRN Cc1cc(CC(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)c(C)n1-c1ccccc1 ZINC000823026862 898819698 /nfs/dbraw/zinc/81/96/98/898819698.db2.gz BSFBXIJPXDRBTH-KRWDZBQOSA-N 0 0 393.453 3.637 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Cc2cc(F)ccc2Br)c1 ZINC000155477385 898820664 /nfs/dbraw/zinc/82/06/64/898820664.db2.gz REQFMCHDAQEVFD-JTQLQIEISA-N 0 0 382.229 3.722 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3cccc4c3OCC[C@@H]4OC)C2)cc1 ZINC000823087937 898841870 /nfs/dbraw/zinc/84/18/70/898841870.db2.gz CELSQVGTEVQYCG-YWZLYKJASA-N 0 0 397.475 3.566 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H](C[NH2+]Cc1cccc(Br)c1[O-])C1CC1 ZINC000133692303 898851745 /nfs/dbraw/zinc/85/17/45/898851745.db2.gz YKMLNDKQQLQIMJ-AWEZNQCLSA-N 0 0 385.302 3.548 20 10 GHCDRN C[C@H](c1nc(-c2cccs2)no1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000133706218 898856903 /nfs/dbraw/zinc/85/69/03/898856903.db2.gz VFNGFXWAXMLGJW-OAHLLOKOSA-N 0 0 384.505 3.828 20 10 GHCDRN Cc1cc(C)n(-c2ccccc2CNC(=O)c2c(C)oc(-n3cccc3)c2C#N)n1 ZINC000155558781 898892058 /nfs/dbraw/zinc/89/20/58/898892058.db2.gz RRHOMDLTXCNLFU-UHFFFAOYSA-N 0 0 399.454 3.983 20 10 GHCDRN O=C(C1=Cc2cc(F)ccc2OC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000155697235 899008363 /nfs/dbraw/zinc/00/83/63/899008363.db2.gz BMVKGQFZWLIIOG-LJQANCHMSA-N 0 0 383.419 3.515 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCC2SCCS2)cc1 ZINC000823410924 899020041 /nfs/dbraw/zinc/02/00/41/899020041.db2.gz CATLYKFMTGTCIK-UHFFFAOYSA-N 0 0 391.562 3.864 20 10 GHCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC3(CC2)OCCc2ccccc23)cc1 ZINC000823479434 899051924 /nfs/dbraw/zinc/05/19/24/899051924.db2.gz IMWFADSVKPWDJS-UHFFFAOYSA-N 0 0 378.432 3.553 20 10 GHCDRN CC[C@@H]1c2ccccc2CCN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823552938 899108261 /nfs/dbraw/zinc/10/82/61/899108261.db2.gz HPSXPWKWVSNMTG-HSZRJFAPSA-N 0 0 393.531 3.867 20 10 GHCDRN CCc1ccc(CN(C)C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000823560048 899114607 /nfs/dbraw/zinc/11/46/07/899114607.db2.gz XZSDWFSJUQQGRC-UHFFFAOYSA-N 0 0 381.520 3.552 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N(C)Cc3ccc(F)c(F)c3)C2)cc1 ZINC000823718962 899219337 /nfs/dbraw/zinc/21/93/37/899219337.db2.gz GMOMAPRBKXWUOX-INIZCTEOSA-N 0 0 389.446 3.641 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N(C)CCc3ccccc3F)C2)cc1 ZINC000823726664 899223640 /nfs/dbraw/zinc/22/36/40/899223640.db2.gz WLQFNVMFRQALEB-KRWDZBQOSA-N 0 0 385.483 3.545 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@H]3c3cccc(F)c3)C2)cc1 ZINC000823726435 899223746 /nfs/dbraw/zinc/22/37/46/899223746.db2.gz UGESURCKWRYHME-IERDGZPVSA-N 0 0 383.467 3.817 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N3CC[C@H](Cc4ccccc4)C3)C2)cc1 ZINC000823726288 899224841 /nfs/dbraw/zinc/22/48/41/899224841.db2.gz QRLRSJRVNDVUFW-RTWAWAEBSA-N 0 0 393.531 3.796 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)NCCc3cc4ccccc4o3)C2)cc1 ZINC000823725724 899225801 /nfs/dbraw/zinc/22/58/01/899225801.db2.gz GZUXQBYGBGHRFJ-KRWDZBQOSA-N 0 0 393.487 3.810 20 10 GHCDRN Cc1c(F)c(F)ccc1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823799706 899266556 /nfs/dbraw/zinc/26/65/56/899266556.db2.gz SSDFSPHOEGFXSF-UHFFFAOYSA-N 0 0 375.419 3.556 20 10 GHCDRN COc1ccc(O)c(CNC(=O)CSCc2coc(-c3ccccc3)n2)c1 ZINC000155992059 899277358 /nfs/dbraw/zinc/27/73/58/899277358.db2.gz JNGIPVXGPJNDHO-UHFFFAOYSA-N 0 0 384.457 3.605 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)Nc1ccccc1C(F)F ZINC000823853527 899281597 /nfs/dbraw/zinc/28/15/97/899281597.db2.gz 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CS(=O)(=O)Nc1ccc(Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 ZINC001204608633 1032991969 /nfs/dbraw/zinc/99/19/69/1032991969.db2.gz PPUKFQMILDBJIN-UHFFFAOYSA-N 0 0 392.436 3.577 20 10 GHCDRN COC(=O)[C@@H]1C[N@H+](Cc2cccc(Br)c2[O-])C[C@@H]1c1ccccc1 ZINC000835070593 1021861438 /nfs/dbraw/zinc/86/14/38/1021861438.db2.gz PBJYNVAQOROBFV-HZPDHXFCSA-N 0 0 390.277 3.543 20 10 GHCDRN Cc1ccc(O)c(CN2CCn3c(COCc4cccc(C)n4)cnc3[C@@H]2C)c1 ZINC001140622236 1022095605 /nfs/dbraw/zinc/09/56/05/1022095605.db2.gz YUXMBLUANGFQLL-SFHVURJKSA-N 0 0 392.503 3.894 20 10 GHCDRN CCc1cccc(CN2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3C)CC2)c1O ZINC001204681884 1033030446 /nfs/dbraw/zinc/03/04/46/1033030446.db2.gz MBMFBSVGNSUGHR-LJQANCHMSA-N 0 0 396.531 3.683 20 10 GHCDRN COc1ccc(CNCC(F)(F)c2cccc(F)c2)cc1Cn1cccn1 ZINC001203055324 1022157393 /nfs/dbraw/zinc/15/73/93/1022157393.db2.gz PMSCVFZBQFDZIB-UHFFFAOYSA-N 0 0 375.394 3.961 20 10 GHCDRN O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1ccccc1OC(F)F ZINC000725828128 1022385200 /nfs/dbraw/zinc/38/52/00/1022385200.db2.gz XIXHMKUGONZUGX-UHFFFAOYSA-N 0 0 396.459 3.757 20 10 GHCDRN CCNC(=O)C1(C[NH2+][C@@H](C)c2cc(Br)cc(Cl)c2[O-])CCC1 ZINC000754103805 1022483196 /nfs/dbraw/zinc/48/31/96/1022483196.db2.gz KJLQCLQGIDHUPD-JTQLQIEISA-N 0 0 389.721 3.765 20 10 GHCDRN CC(C)(CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1=CCCC1 ZINC000836240762 1022758823 /nfs/dbraw/zinc/75/88/23/1022758823.db2.gz JGPRMCWTVKDVDS-UHFFFAOYSA-N 0 0 375.488 3.598 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)NC[C@@H]3CCCC3(F)F)cc2F)C[C@H](C)O1 ZINC000836242958 1022761261 /nfs/dbraw/zinc/76/12/61/1022761261.db2.gz ZBLMJOKCBZPOOO-LZWOXQAQSA-N 0 0 399.457 3.674 20 10 GHCDRN COc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1F ZINC000754549776 1022763809 /nfs/dbraw/zinc/76/38/09/1022763809.db2.gz NRKDXAOCMSMIFM-UHFFFAOYSA-N 0 0 389.382 3.791 20 10 GHCDRN C[C@@H](NC(=O)N1CCC[C@@]2(CCSC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000836255330 1022779636 /nfs/dbraw/zinc/77/96/36/1022779636.db2.gz HLYWVISEMDFDKF-DYESRHJHSA-N 0 0 389.565 3.513 20 10 GHCDRN Cc1ccccc1CCN(C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000836257310 1022783431 /nfs/dbraw/zinc/78/34/31/1022783431.db2.gz XQHVOSIGOCEGBO-LJQANCHMSA-N 0 0 381.520 3.777 20 10 GHCDRN COc1cc(CN(C)Cc2ccc(S(C)(=O)=O)cc2)c(O)c(C(C)(C)C)c1 ZINC000754742624 1022874965 /nfs/dbraw/zinc/87/49/65/1022874965.db2.gz UXKMCENRGJAXKY-UHFFFAOYSA-N 0 0 391.533 3.734 20 10 GHCDRN Cc1nccnc1CN1CCN(c2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC001140939940 1022925927 /nfs/dbraw/zinc/92/59/27/1022925927.db2.gz XPPVLHLTBRWTFG-UHFFFAOYSA-N 0 0 385.471 3.915 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCc1cc(C(F)(F)F)ccn1 ZINC000836479779 1023010831 /nfs/dbraw/zinc/01/08/31/1023010831.db2.gz BGVUANAVXHXSAX-UHFFFAOYSA-N 0 0 380.414 3.517 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(OC(F)F)c(F)c2)c1 ZINC000836489727 1023026156 /nfs/dbraw/zinc/02/61/56/1023026156.db2.gz WDCKRJXMQWBJRE-SNVBAGLBSA-N 0 0 384.354 3.702 20 10 GHCDRN C[C@H](NC(=O)N1CC[C@@](C)(c2ccccc2)C1)c1ccc(N2CCOCC2)cc1 ZINC000755129230 1023086701 /nfs/dbraw/zinc/08/67/01/1023086701.db2.gz DRAXDHIMXJMPGA-YADARESESA-N 0 0 393.531 3.957 20 10 GHCDRN Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)c(Br)c1 ZINC000755134880 1023089048 /nfs/dbraw/zinc/08/90/48/1023089048.db2.gz PFQFWBQJEDGQSF-UHFFFAOYSA-N 0 0 375.266 3.846 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCOc2ccc(F)c(Cl)c2)c1 ZINC000836548118 1023100080 /nfs/dbraw/zinc/10/00/80/1023100080.db2.gz RZKMWUVAWWVUJN-NSHDSACASA-N 0 0 382.819 3.633 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(C(F)F)c2Cl)cc1 ZINC000755193732 1023117870 /nfs/dbraw/zinc/11/78/70/1023117870.db2.gz USTLGVGCELZLJP-UHFFFAOYSA-N 0 0 395.837 3.941 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)Cc3ccc(F)c(F)c3)cc2F)C[C@H](C)O1 ZINC000755200348 1023121109 /nfs/dbraw/zinc/12/11/09/1023121109.db2.gz KLAVYWHMJZXRPI-OKILXGFUSA-N 0 0 392.421 3.576 20 10 GHCDRN CCCCC[C@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(C)C ZINC000755213174 1023130586 /nfs/dbraw/zinc/13/05/86/1023130586.db2.gz SHQWXAUMQZWJRT-FPOVZHCZSA-N 0 0 387.568 3.857 20 10 GHCDRN CC(C)CC1(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCCC1 ZINC000755212161 1023130985 /nfs/dbraw/zinc/13/09/85/1023130985.db2.gz PAGMOAMOJLRYQR-LJQANCHMSA-N 0 0 385.552 3.611 20 10 GHCDRN CO[C@@](C)(CNC(=O)NCc1cccc(Br)c1O)c1ccccc1 ZINC000836594299 1023154722 /nfs/dbraw/zinc/15/47/22/1023154722.db2.gz UYYBYVYOUUBPGJ-SFHVURJKSA-N 0 0 393.281 3.516 20 10 GHCDRN Cc1cc(CCNC(=O)N[C@H]2C[C@@H](C)n3ccnc32)c(C)n1-c1ccccc1 ZINC000836629783 1023191409 /nfs/dbraw/zinc/19/14/09/1023191409.db2.gz XXTDYTPHYQZKDU-QRWLVFNGSA-N 0 0 377.492 3.838 20 10 GHCDRN C[C@@H](NC(=O)N[C@@H](c1ccccc1)C(F)F)c1ccc(N2CCOCC2)cc1 ZINC000836667857 1023232157 /nfs/dbraw/zinc/23/21/57/1023232157.db2.gz LKMXFSDDRZHKCM-BEFAXECRSA-N 0 0 389.446 3.890 20 10 GHCDRN O=C(NCCCSc1nccs1)N[C@H](c1nccs1)C(F)(F)F ZINC000836693190 1023262309 /nfs/dbraw/zinc/26/23/09/1023262309.db2.gz QDFDYKKYAKDENL-MRVPVSSYSA-N 0 0 382.458 3.685 20 10 GHCDRN Cc1nc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccc1-c1cnn(C)c1 ZINC000836704495 1023276652 /nfs/dbraw/zinc/27/66/52/1023276652.db2.gz FTLJUQXVGMDEAP-CQSZACIVSA-N 0 0 378.480 3.739 20 10 GHCDRN Cc1cc(C(=O)N(C)C[C@H](O)C2CC2)c(C)n1-c1cccc(Br)c1 ZINC000755517528 1023280634 /nfs/dbraw/zinc/28/06/34/1023280634.db2.gz YGOBDGVOVPENGJ-SFHVURJKSA-N 0 0 391.309 3.700 20 10 GHCDRN Cc1cc(C(=O)COC(=O)CCc2ccncn2)c(C)n1-c1ccc(C)cc1 ZINC000755643456 1023323301 /nfs/dbraw/zinc/32/33/01/1023323301.db2.gz MVEMZMUMHMWWBW-UHFFFAOYSA-N 0 0 377.444 3.551 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccc(-c3nc(C)no3)nc2)cc1 ZINC000836736699 1023323825 /nfs/dbraw/zinc/32/38/25/1023323825.db2.gz YNLSISKWWOPJLB-UHFFFAOYSA-N 0 0 380.452 3.608 20 10 GHCDRN COC(=O)CN(Cc1csc(C(F)(F)F)n1)Cc1cc(Cl)ccc1O ZINC001204866272 1033130330 /nfs/dbraw/zinc/13/03/30/1033130330.db2.gz LOACLNIXRZYZMR-UHFFFAOYSA-N 0 0 394.802 3.696 20 10 GHCDRN Cc1ccccc1C(=O)N1CCN(Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141078073 1023444273 /nfs/dbraw/zinc/44/42/73/1023444273.db2.gz JPNNVOIUPIKVJC-UHFFFAOYSA-N 0 0 389.543 3.652 20 10 GHCDRN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000755984500 1023466356 /nfs/dbraw/zinc/46/63/56/1023466356.db2.gz KTORGKFTQSQMAI-UHFFFAOYSA-N 0 0 377.462 3.786 20 10 GHCDRN Cc1nn(C)c2ccc(Nc3c(N)ccc4c3C(=O)c3ccccc3C4=O)cc12 ZINC001204877947 1033140402 /nfs/dbraw/zinc/14/04/02/1033140402.db2.gz LHCPZKRZTMNPDA-UHFFFAOYSA-N 0 0 382.423 3.983 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000836975700 1023536316 /nfs/dbraw/zinc/53/63/16/1023536316.db2.gz SVGPUHLAZNHABH-MAUKXSAKSA-N 0 0 384.505 3.539 20 10 GHCDRN C[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1cc(Br)cc(Cl)c1[O-] ZINC000756356615 1023603958 /nfs/dbraw/zinc/60/39/58/1023603958.db2.gz FWLKHOGADMRMIJ-JTQLQIEISA-N 0 0 399.720 3.977 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(OC)c(OC(F)F)c2)c1 ZINC000756383167 1023621943 /nfs/dbraw/zinc/62/19/43/1023621943.db2.gz VXMGIOCUXMUJGL-LLVKDONJSA-N 0 0 381.375 3.640 20 10 GHCDRN C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccccn2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756435048 1023646811 /nfs/dbraw/zinc/64/68/11/1023646811.db2.gz UFDDWCBNLBQNFO-AWEZNQCLSA-N 0 0 392.415 3.799 20 10 GHCDRN CCc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1CCC(C)C ZINC000756438427 1023650532 /nfs/dbraw/zinc/65/05/32/1023650532.db2.gz OMHUBKMUVHUZJP-UHFFFAOYSA-N 0 0 398.551 3.600 20 10 GHCDRN C[C@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756450960 1023657722 /nfs/dbraw/zinc/65/77/22/1023657722.db2.gz WVFTWHFQLRNWDZ-AWEZNQCLSA-N 0 0 378.432 3.826 20 10 GHCDRN CNC(=O)c1cccc(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])c1 ZINC000756465735 1023667863 /nfs/dbraw/zinc/66/78/63/1023667863.db2.gz KTNKNEVSHDHASJ-JTQLQIEISA-N 0 0 381.245 3.504 20 10 GHCDRN C[C@H]([NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756503999 1023687463 /nfs/dbraw/zinc/68/74/63/1023687463.db2.gz SDAKTBKZCWDDOK-QFYYESIMSA-N 0 0 386.326 3.583 20 10 GHCDRN C[C@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1cc(Br)c(F)cc1[O-] ZINC000756529816 1023700124 /nfs/dbraw/zinc/70/01/24/1023700124.db2.gz WATIQXSSTGLTGP-JTQLQIEISA-N 0 0 391.281 3.811 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000756563805 1023714570 /nfs/dbraw/zinc/71/45/70/1023714570.db2.gz NGMWRGCHJMLJEC-DYZYQPBXSA-N 0 0 384.259 3.870 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(Br)cc2F)c1 ZINC000756570767 1023716153 /nfs/dbraw/zinc/71/61/53/1023716153.db2.gz XSWULTIYIDTWAE-SNVBAGLBSA-N 0 0 382.229 3.931 20 10 GHCDRN C[C@@H]([NH2+]CCCOC[C@@H]1CCOC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756604627 1023734506 /nfs/dbraw/zinc/73/45/06/1023734506.db2.gz MXNYBZAJWJZNBB-NEPJUHHUSA-N 0 0 392.721 3.902 20 10 GHCDRN Cc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(OC[C@H]2CCOC2)c1 ZINC000756648748 1023754171 /nfs/dbraw/zinc/75/41/71/1023754171.db2.gz ZJJQEAMSRVFSKN-HOTGVXAUSA-N 0 0 386.448 3.875 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000756736419 1023793261 /nfs/dbraw/zinc/79/32/61/1023793261.db2.gz NOYPSSNTZCTYDH-KOLCDFICSA-N 0 0 389.721 3.858 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cc(Br)cc(F)c1[O-] ZINC000756764600 1023805431 /nfs/dbraw/zinc/80/54/31/1023805431.db2.gz JPDFVCJIDNNEQF-AAEUAGOBSA-N 0 0 388.277 3.673 20 10 GHCDRN C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1cc(F)cc(F)c1[O-] ZINC000756779344 1023812037 /nfs/dbraw/zinc/81/20/37/1023812037.db2.gz JHUSXQJACLETMX-MENVHETRSA-N 0 0 380.822 3.946 20 10 GHCDRN CCC(=O)c1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1F ZINC000756889449 1023848176 /nfs/dbraw/zinc/84/81/76/1023848176.db2.gz KUXFVHMPHAUEPJ-UHFFFAOYSA-N 0 0 384.451 3.527 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cc2c[nH]c3ncccc23)cc1 ZINC000756909679 1023857880 /nfs/dbraw/zinc/85/78/80/1023857880.db2.gz SYWREJIDFNESDD-UHFFFAOYSA-N 0 0 388.471 3.993 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756924858 1023869637 /nfs/dbraw/zinc/86/96/37/1023869637.db2.gz TXDHIUYYEHUFJW-UHFFFAOYSA-N 0 0 388.855 3.848 20 10 GHCDRN CN1CCCc2cc(CNC(=O)NCc3cc([N+](=O)[O-])ccc3Cl)ccc21 ZINC000756967621 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ZINC000840324148 1027451825 /nfs/dbraw/zinc/45/18/25/1027451825.db2.gz ODQPBWHYQYPKEK-CQSZACIVSA-N 0 0 389.569 3.640 20 10 GHCDRN COc1ccnc(O[C@@H]2CCC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)n1 ZINC001203586160 1027454305 /nfs/dbraw/zinc/45/43/05/1027454305.db2.gz LWEFWCRMJCUKIL-CYBMUJFWSA-N 0 0 384.263 3.541 20 10 GHCDRN COCCOc1ccc(N2CCN(Cc3coc4ccc(F)cc34)CC2)cc1 ZINC001141856880 1027457071 /nfs/dbraw/zinc/45/70/71/1027457071.db2.gz VQZMQLDFCKNATJ-UHFFFAOYSA-N 0 0 384.451 3.919 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1 ZINC000840384342 1027499942 /nfs/dbraw/zinc/49/99/42/1027499942.db2.gz IBHVHMOWUKXAMF-AWEZNQCLSA-N 0 0 382.512 3.704 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2cnccc2NC(=O)OC(C)(C)C)cc1 ZINC001141868983 1027509272 /nfs/dbraw/zinc/50/92/72/1027509272.db2.gz PVGAGQPJRNKFGA-UHFFFAOYSA-N 0 0 398.507 3.627 20 10 GHCDRN CCOCc1nn(CC2CC2)c2c1CN(Cc1cc(Cl)ccc1O)CC2 ZINC001203656089 1027510655 /nfs/dbraw/zinc/51/06/55/1027510655.db2.gz HGQAGGYXAGLJKP-UHFFFAOYSA-N 0 0 375.900 3.747 20 10 GHCDRN COc1ccc(N2CCN(c3ccc(Nc4cncc(N)c4)cc3)CC2)cc1 ZINC001210442094 1027512344 /nfs/dbraw/zinc/51/23/44/1027512344.db2.gz VVALFBKPJRSTOO-UHFFFAOYSA-N 0 0 375.476 3.743 20 10 GHCDRN Oc1ccc(Cl)cc1CN1CCCn2cnc(COc3cccnc3)c2C1 ZINC001203658289 1027513587 /nfs/dbraw/zinc/51/35/87/1027513587.db2.gz IYRLMTDVLJQDHY-UHFFFAOYSA-N 0 0 384.867 3.622 20 10 GHCDRN CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1Cc1cc(Cl)ccc1O ZINC001203665252 1027519000 /nfs/dbraw/zinc/51/90/00/1027519000.db2.gz DXMHNDJTSMCTKQ-ZDUSSCGKSA-N 0 0 376.831 3.780 20 10 GHCDRN CCOC(=O)[C@@H]1c2ccc(Cl)cc2CCN1Cc1cc(OC)ccc1O ZINC001203683782 1027528686 /nfs/dbraw/zinc/52/86/86/1027528686.db2.gz CPAFCGOMGUDICL-IBGZPJMESA-N 0 0 375.852 3.717 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NC1CCC(COC)CC1 ZINC000840445591 1027543630 /nfs/dbraw/zinc/54/36/30/1027543630.db2.gz PGHNHCVMOMYNTI-UHFFFAOYSA-N 0 0 399.329 3.891 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H](Cc2ccncc2)C1 ZINC000840478721 1027563056 /nfs/dbraw/zinc/56/30/56/1027563056.db2.gz BRGODEBWHHPKBA-AZUAARDMSA-N 0 0 380.536 3.661 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000840481306 1027565046 /nfs/dbraw/zinc/56/50/46/1027565046.db2.gz IDAIJKMTDLVLSY-OXJNMPFZSA-N 0 0 387.549 3.837 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000840481500 1027566144 /nfs/dbraw/zinc/56/61/44/1027566144.db2.gz JPRDNNZZJCTGRQ-UUOWRZLLSA-N 0 0 393.531 3.833 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)Nc3cncc(C(F)(F)F)c3)CC2)cc1 ZINC001210658140 1027591436 /nfs/dbraw/zinc/59/14/36/1027591436.db2.gz NQLWPJKKEQMUOU-UHFFFAOYSA-N 0 0 394.397 3.900 20 10 GHCDRN C[C@@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1cccc(O)c1 ZINC001141901742 1027622663 /nfs/dbraw/zinc/62/26/63/1027622663.db2.gz NFDXDTKQKQFOKB-OWCLPIDISA-N 0 0 386.467 3.565 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)/C=C/c3ccc(C=O)cc3)cc2F)C[C@H](C)O1 ZINC001141901971 1027624481 /nfs/dbraw/zinc/62/44/81/1027624481.db2.gz VCEZYPOFGCDUOD-CJVCEKSSSA-N 0 0 396.462 3.581 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(Cc2ccc(O)c(O)c2)[C@@H](c2cccs2)C1 ZINC001203881660 1027677622 /nfs/dbraw/zinc/67/76/22/1027677622.db2.gz SHFJFRLPQLMFLU-OAHLLOKOSA-N 0 0 390.505 3.953 20 10 GHCDRN CCN(CC)c1ccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](F)C2)cc1 ZINC001203935381 1027728853 /nfs/dbraw/zinc/72/88/53/1027728853.db2.gz GFBHKGMAHCEHCU-RTBURBONSA-N 0 0 379.520 3.970 20 10 GHCDRN CCN(CC)c1ccc(CN2Cc3nn(C)cc3[C@H](COCC3CC3)C2)cc1 ZINC001203938615 1027731291 /nfs/dbraw/zinc/73/12/91/1027731291.db2.gz HNYQZWGQYFRSHP-FQEVSTJZSA-N 0 0 382.552 3.792 20 10 GHCDRN CC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001461280206 1069478823 /nfs/dbraw/zinc/47/88/23/1069478823.db2.gz IEKQRMNEMJPHPY-PMACEKPBSA-N 0 0 392.902 3.954 20 10 GHCDRN CCN(CC)c1ccc(CN2CC[C@](F)(CNC(=O)OC(C)(C)C)C2)cc1 ZINC001203946891 1027742126 /nfs/dbraw/zinc/74/21/26/1027742126.db2.gz ZQOPKAPPUAPFJX-NRFANRHFSA-N 0 0 379.520 3.972 20 10 GHCDRN COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])cc1 ZINC000840809332 1027849258 /nfs/dbraw/zinc/84/92/58/1027849258.db2.gz RANJSICMJGFLPR-WCQYABFASA-N 0 0 398.272 3.729 20 10 GHCDRN CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000840842452 1027876184 /nfs/dbraw/zinc/87/61/84/1027876184.db2.gz UEROARRMDUQPNQ-SNVBAGLBSA-N 0 0 389.851 3.968 20 10 GHCDRN C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001211311332 1027903345 /nfs/dbraw/zinc/90/33/45/1027903345.db2.gz GWMGSRCTFDARDZ-CHWSQXEVSA-N 0 0 388.339 3.866 20 10 GHCDRN COCCOc1ccc(N2CCN(Cc3ccc(SC)s3)CC2)cc1 ZINC001142029138 1027919577 /nfs/dbraw/zinc/91/95/77/1027919577.db2.gz MLMPQWRVJRZPNN-UHFFFAOYSA-N 0 0 378.563 3.817 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNc1cccc(C(=O)N2CCC[C@H](O)C2)c1 ZINC001461314117 1069495286 /nfs/dbraw/zinc/49/52/86/1069495286.db2.gz NRHXCGPGFWCKFE-IBGZPJMESA-N 0 0 377.488 3.696 20 10 GHCDRN COCc1cc(O)ccc1NS(=O)(=O)c1ccc(C(F)(F)F)c(C)c1 ZINC000840918462 1027955561 /nfs/dbraw/zinc/95/55/61/1027955561.db2.gz UGFPYHWYNRIGIR-UHFFFAOYSA-N 0 0 375.368 3.667 20 10 GHCDRN COc1cc(N(C)Cc2cn(-c3cccc(F)c3)nc2C)cc(OC)c1OC ZINC000840936822 1027970717 /nfs/dbraw/zinc/97/07/17/1027970717.db2.gz MSTOITZLNKPKKR-UHFFFAOYSA-N 0 0 385.439 3.982 20 10 GHCDRN COc1cc(Br)cc(CNc2cccc([C@@H]3CCC(=O)N3)c2)c1O ZINC000840973060 1028012198 /nfs/dbraw/zinc/01/21/98/1028012198.db2.gz XQYIXOZLJOAMFY-HNNXBMFYSA-N 0 0 391.265 3.727 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cc1 ZINC001461334801 1069505684 /nfs/dbraw/zinc/50/56/84/1069505684.db2.gz FFNAPVAULMTOTK-DLBZAZTESA-N 0 0 392.421 3.811 20 10 GHCDRN Nc1ccc(N(c2ccc(N)cc2)C2=CCN(C(=O)C(F)(F)F)CC2)cc1 ZINC001213746027 1028360459 /nfs/dbraw/zinc/36/04/59/1028360459.db2.gz SXIYDVXURKBZOB-UHFFFAOYSA-N 0 0 376.382 3.668 20 10 GHCDRN CCN1CC[C@@H](NC(=O)Nc2ccc(N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000841297089 1028388747 /nfs/dbraw/zinc/38/87/47/1028388747.db2.gz NDBDJIVMCBBPQA-AEFFLSMTSA-N 0 0 378.398 3.643 20 10 GHCDRN COc1ccc(CCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1 ZINC000301751233 1028401172 /nfs/dbraw/zinc/40/11/72/1028401172.db2.gz UPVQTQYGCPCNNE-QHCPKHFHSA-N 0 0 396.531 3.902 20 10 GHCDRN Cc1ccc(S(=O)(=O)NCc2cccc(Cl)c2O)cc1Br ZINC001214006369 1028503505 /nfs/dbraw/zinc/50/35/05/1028503505.db2.gz JILMGGJOVNQWRG-UHFFFAOYSA-N 0 0 390.686 3.595 20 10 GHCDRN Cc1c(Br)cccc1S(=O)(=O)NCc1cccc(Cl)c1O ZINC001214006690 1028504028 /nfs/dbraw/zinc/50/40/28/1028504028.db2.gz URLCVADWTHWXSY-UHFFFAOYSA-N 0 0 390.686 3.595 20 10 GHCDRN O=C(/C=C/c1ccoc1)N1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001142260279 1028513161 /nfs/dbraw/zinc/51/31/61/1028513161.db2.gz KDNURQGSURBILU-FPYGCLRLSA-N 0 0 389.455 3.616 20 10 GHCDRN COc1ccc(Br)cc1C1(C(=O)N(C)Cc2ccccc2O)CC1 ZINC000841402457 1028574027 /nfs/dbraw/zinc/57/40/27/1028574027.db2.gz FLLVNOFWBXUAPI-UHFFFAOYSA-N 0 0 390.277 3.854 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC001461432880 1069547151 /nfs/dbraw/zinc/54/71/51/1069547151.db2.gz OJGJSLARCKZWME-UHFFFAOYSA-N 0 0 399.226 3.658 20 10 GHCDRN CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])s1 ZINC000841752946 1028912706 /nfs/dbraw/zinc/91/27/06/1028912706.db2.gz DALCIONQXAPMAP-VWYCJHECSA-N 0 0 382.917 3.773 20 10 GHCDRN CS(=O)(=O)N(c1ccc(N)cc1)c1ccc(Cl)c(OC(F)(F)F)c1 ZINC001214907833 1028961841 /nfs/dbraw/zinc/96/18/41/1028961841.db2.gz GXTYIDIPUSPBMR-UHFFFAOYSA-N 0 0 380.775 3.919 20 10 GHCDRN CCN(CC)c1ccc(C[NH2+]C[C@H](Cc2cc(F)c(F)c(F)c2)C(=O)[O-])cc1 ZINC000841814760 1028961900 /nfs/dbraw/zinc/96/19/00/1028961900.db2.gz BOISKLMLUAXDNU-INIZCTEOSA-N 0 0 394.437 3.983 20 10 GHCDRN CN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142517207 1029020315 /nfs/dbraw/zinc/02/03/15/1029020315.db2.gz FAWOQBBGPZCCDX-KRWDZBQOSA-N 0 0 386.442 3.651 20 10 GHCDRN CNC(=O)c1ccc(OC)c(Nc2ccc(C(=O)Oc3ccc(N)cc3)cc2)c1 ZINC001215317306 1029148750 /nfs/dbraw/zinc/14/87/50/1029148750.db2.gz ARAYDJBBXFJWQD-UHFFFAOYSA-N 0 0 391.427 3.600 20 10 GHCDRN Cc1cc(-c2noc(-c3ccc(O)c(O)c3O)n2)c(Br)cc1F ZINC001215325392 1029153851 /nfs/dbraw/zinc/15/38/51/1029153851.db2.gz QHCQTRPVQUOWCN-UHFFFAOYSA-N 0 0 381.157 3.730 20 10 GHCDRN Oc1cc(-c2nc(-c3ccc(Cl)c(Br)c3)no2)cc(O)c1O ZINC001215327830 1029156173 /nfs/dbraw/zinc/15/61/73/1029156173.db2.gz WCCOYKNYHRPYIL-UHFFFAOYSA-N 0 0 383.585 3.936 20 10 GHCDRN CN1CCC[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c2ccccc21 ZINC000842257682 1029169633 /nfs/dbraw/zinc/16/96/33/1029169633.db2.gz NQCSWGQJUTWGIK-SFHVURJKSA-N 0 0 399.878 3.781 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3cnn(-c4ccccc4Cl)c3)C2)cc1 ZINC001461494999 1069577306 /nfs/dbraw/zinc/57/73/06/1069577306.db2.gz KSKJTJRFTYQNMW-INIZCTEOSA-N 0 0 396.878 3.543 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)CCSCc1ccccc1 ZINC001142689922 1029272148 /nfs/dbraw/zinc/27/21/48/1029272148.db2.gz FKEIFORSYLOXFY-UHFFFAOYSA-N 0 0 387.501 3.607 20 10 GHCDRN O=C(NCc1ccc2cccnc2c1O)c1coc(-c2c(F)cccc2F)n1 ZINC001142730839 1029356969 /nfs/dbraw/zinc/35/69/69/1029356969.db2.gz FQESVHZSSQEAPM-UHFFFAOYSA-N 0 0 381.338 3.804 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3cccn3Cc3ccncc3)C2)cc1 ZINC000842880118 1029658007 /nfs/dbraw/zinc/65/80/07/1029658007.db2.gz YOJGNAXUDLNDKV-IBGZPJMESA-N 0 0 391.471 3.623 20 10 GHCDRN C[C@@H]1OCC[C@@H]1c1nnc(N(C)Cc2ccccc2O)n1Cc1ccccc1 ZINC000842966104 1029722526 /nfs/dbraw/zinc/72/25/26/1029722526.db2.gz RUQBOTOGKUTRNZ-LPHOPBHVSA-N 0 0 378.476 3.561 20 10 GHCDRN Cn1c2ccc(OC(=O)c3ccc(CS(C)(=O)=O)cc3)cc2c2c1CCCC2 ZINC000843019620 1029761328 /nfs/dbraw/zinc/76/13/28/1029761328.db2.gz WRBZHOPQOMTPKY-UHFFFAOYSA-N 0 0 397.496 3.821 20 10 GHCDRN Cc1nc2ccccn2c1-c1nnc(N(C)Cc2ccccc2O)n1CC(C)C ZINC000843026711 1029767070 /nfs/dbraw/zinc/76/70/70/1029767070.db2.gz PXIKINFVCBRBJL-UHFFFAOYSA-N 0 0 390.491 3.899 20 10 GHCDRN C[C@H]1OCC[C@@H]1c1nnc(N(C)Cc2ccccc2O)n1Cc1cccs1 ZINC000843037374 1029778120 /nfs/dbraw/zinc/77/81/20/1029778120.db2.gz VZEMSRKUTONXCZ-PBHICJAKSA-N 0 0 384.505 3.622 20 10 GHCDRN 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20 10 GHCDRN Cc1cc(CC(=O)NC[C@H](C)C(=O)OC(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC001361109360 1061619576 /nfs/dbraw/zinc/61/95/76/1061619576.db2.gz VZJQTYUTHSPMFX-AWEZNQCLSA-N 0 0 390.911 3.994 20 10 GHCDRN COCCC[C@H](CNC(=O)NCc1ccc(N)cc1)c1ccc(Cl)cc1 ZINC001346645852 1061760205 /nfs/dbraw/zinc/76/02/05/1061760205.db2.gz BJCAJRFTMIOINX-QGZVFWFLSA-N 0 0 375.900 3.932 20 10 GHCDRN COc1ccc(N2CCN(C(=O)CCc3ccc([C@H]4C[C@H]4C)o3)CC2)c(OC)c1 ZINC001454480662 1061800516 /nfs/dbraw/zinc/80/05/16/1061800516.db2.gz ZZHPKEGHXPRGQX-APWZRJJASA-N 0 0 398.503 3.702 20 10 GHCDRN CC1CCN(c2cccc(NC(=O)c3ccc4c(c3)nc(CO)n4C)c2)CC1 ZINC001346835346 1061929528 /nfs/dbraw/zinc/92/95/28/1061929528.db2.gz DIAKUNCWNXJZAX-UHFFFAOYSA-N 0 0 378.476 3.554 20 10 GHCDRN CCCCS(=O)(=O)c1ccc(C(=O)Nc2c3nonc3ccc2Cl)cc1 ZINC001346941755 1061997567 /nfs/dbraw/zinc/99/75/67/1061997567.db2.gz YFRDPLMTRXFYGU-UHFFFAOYSA-N 0 0 393.852 3.702 20 10 GHCDRN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001545796050 1062002992 /nfs/dbraw/zinc/00/29/92/1062002992.db2.gz UKWMDIBPWTVICK-JKSUJKDBSA-N 0 0 379.464 3.584 20 10 GHCDRN COc1ccc([C@@H](CCO)NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)cc1 ZINC001545807038 1062009730 /nfs/dbraw/zinc/00/97/30/1062009730.db2.gz YDGMHSMOIYRILF-HSZRJFAPSA-N 0 0 392.499 3.885 20 10 GHCDRN COc1ccc(CN(CCO)C(=O)c2sccc2-n2c(C)ccc2C)cc1 ZINC001455198520 1062044353 /nfs/dbraw/zinc/04/43/53/1062044353.db2.gz ZUIPMHKURZLAEA-UHFFFAOYSA-N 0 0 384.501 3.799 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)CCCCc3cccc(O)c3)C2)cc1 ZINC001347044579 1062068997 /nfs/dbraw/zinc/06/89/97/1062068997.db2.gz RSEONEOEZMMIFD-LJQANCHMSA-N 0 0 382.504 3.756 20 10 GHCDRN Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)nnn1-c1ccn(C)n1 ZINC001347811665 1062688112 /nfs/dbraw/zinc/68/81/12/1062688112.db2.gz JYVKXKMNTSROAB-UHFFFAOYSA-N 0 0 386.419 3.977 20 10 GHCDRN COc1ccc(N(CCc2ccccc2)C(=O)/C=C/c2cnc(OC)nc2)cc1 ZINC001456582619 1062765945 /nfs/dbraw/zinc/76/59/45/1062765945.db2.gz GYHLYGCTJFBRFW-MDWZMJQESA-N 0 0 389.455 3.783 20 10 GHCDRN O=C(NCc1cccc(Cl)c1O)c1cc2c([nH]c(=O)cc2C(F)(F)F)o1 ZINC001457039677 1062957678 /nfs/dbraw/zinc/95/76/78/1062957678.db2.gz YWGQFTKMEZLOGA-UHFFFAOYSA-N 0 0 386.713 3.841 20 10 GHCDRN CC(C)[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)N1Cc2ccccc2C1=O ZINC001435954246 1063028896 /nfs/dbraw/zinc/02/88/96/1063028896.db2.gz TUJCSCBQFPJWNC-HRAATJIYSA-N 0 0 379.504 3.610 20 10 GHCDRN C[C@@H](NC(=O)c1cccn2ncc(Br)c12)c1ccc(N(C)C)cc1 ZINC001435954376 1063029098 /nfs/dbraw/zinc/02/90/98/1063029098.db2.gz WMBYTNKLOMLAPI-GFCCVEGCSA-N 0 0 387.281 3.654 20 10 GHCDRN Cc1cc(CC(=O)O[C@@H](C)C(=O)NC(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC001348703462 1063287502 /nfs/dbraw/zinc/28/75/02/1063287502.db2.gz DRGUXKAXTNZANL-HNNXBMFYSA-N 0 0 376.884 3.746 20 10 GHCDRN CCCOc1nc2ccccc2cc1/C=C/C(=O)N1CCOc2c1c(C)nn2C ZINC001457698451 1063317444 /nfs/dbraw/zinc/31/74/44/1063317444.db2.gz ORGGLAHCKOTUCW-MDZDMXLPSA-N 0 0 392.459 3.504 20 10 GHCDRN CC(=O)CCc1ccc(OCC(=O)N(C)Cc2ccc(N3CCCC3)cc2)cc1 ZINC001349119717 1063558265 /nfs/dbraw/zinc/55/82/65/1063558265.db2.gz UTHZZFJDLVIXRU-UHFFFAOYSA-N 0 0 394.515 3.846 20 10 GHCDRN CC(C)Oc1nc(NCc2cccc(Br)c2O)ccc1[N+](=O)[O-] ZINC001458362939 1063764967 /nfs/dbraw/zinc/76/49/67/1063764967.db2.gz FDXLTMOFHOTRQX-UHFFFAOYSA-N 0 0 382.214 3.857 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)c2cnn(-c3ccccc3Cl)c2)cc1 ZINC001437384849 1063841445 /nfs/dbraw/zinc/84/14/45/1063841445.db2.gz XQNGEMMEIVADKO-UHFFFAOYSA-N 0 0 398.894 3.743 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)C2)cc1 ZINC001437580123 1063901869 /nfs/dbraw/zinc/90/18/69/1063901869.db2.gz QNIDCINOOIAWGZ-MRXNPFEDSA-N 0 0 383.448 3.736 20 10 GHCDRN C[C@@H](Nc1cc(Cl)nc([C@@H]2CCCO2)n1)c1ccc(N2CCOCC2)cc1 ZINC001349969740 1063955534 /nfs/dbraw/zinc/95/55/34/1063955534.db2.gz NEBWTVMMCGJSAT-PBHICJAKSA-N 0 0 388.899 3.991 20 10 GHCDRN C[C@H](Nc1cc(Cl)nc([C@H]2CCCO2)n1)c1ccc(N2CCOCC2)cc1 ZINC001349969746 1063955689 /nfs/dbraw/zinc/95/56/89/1063955689.db2.gz NEBWTVMMCGJSAT-WMLDXEAASA-N 0 0 388.899 3.991 20 10 GHCDRN CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]32)sc2c1CC[C@H](CC)C2 ZINC001349976873 1063957187 /nfs/dbraw/zinc/95/71/87/1063957187.db2.gz WLPBVRXSFUAJQN-PBXWNFIWSA-N 0 0 375.490 3.603 20 10 GHCDRN COc1ccc(N2CCN(C(=O)C[C@H](C)c3ccc(F)cc3)CC2)c(OC)c1 ZINC001438186558 1064000400 /nfs/dbraw/zinc/00/04/00/1064000400.db2.gz LIAFYKWUFAAECE-INIZCTEOSA-N 0 0 386.467 3.685 20 10 GHCDRN COc1ccc(N2CCN(C(=O)[C@H](C)c3cccc(Cl)c3)CC2)c(OC)c1 ZINC001438187225 1064001250 /nfs/dbraw/zinc/00/12/50/1064001250.db2.gz YOUZDJFBBNZJJY-OAHLLOKOSA-N 0 0 388.895 3.810 20 10 GHCDRN Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC001459176861 1064014495 /nfs/dbraw/zinc/01/44/95/1064014495.db2.gz GGZYLOFVXWTPDC-LAUBAEHRSA-N 0 0 379.504 3.543 20 10 GHCDRN C[C@@H]1CCC[C@H](C)CN1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001459506111 1064115658 /nfs/dbraw/zinc/11/56/58/1064115658.db2.gz IPNIJNUNDVCXLI-JKSUJKDBSA-N 0 0 390.483 3.911 20 10 GHCDRN COC(=O)CN(CCCOc1ccccc1C)Cc1cc(Cl)ccc1O ZINC001459690248 1064170788 /nfs/dbraw/zinc/17/07/88/1064170788.db2.gz ZJLILZVCXVBOLA-UHFFFAOYSA-N 0 0 377.868 3.798 20 10 GHCDRN CN(C)c1ccc(CNC(=O)CN2CC3(CCCC3)c3c2cccc3F)cc1 ZINC001459747283 1064198026 /nfs/dbraw/zinc/19/80/26/1064198026.db2.gz IVSAZXGGOGFWNC-UHFFFAOYSA-N 0 0 381.495 3.840 20 10 GHCDRN O=C(Nc1c2nonc2ccc1Cl)[C@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001459787731 1064217193 /nfs/dbraw/zinc/21/71/93/1064217193.db2.gz DSTOMJGHHSPUJF-GFCCVEGCSA-N 0 0 395.177 3.800 20 10 GHCDRN CC[C@H](C)n1nccc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC001350933778 1064222661 /nfs/dbraw/zinc/22/26/61/1064222661.db2.gz QTZZKXKENXSBGL-JYJNAYRXSA-N 0 0 388.487 3.537 20 10 GHCDRN CN(CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C[C@H]1CC=CCC1 ZINC001459809339 1064226692 /nfs/dbraw/zinc/22/66/92/1064226692.db2.gz XVHUORZJJLYWGH-INIZCTEOSA-N 0 0 388.467 3.689 20 10 GHCDRN Cc1cc(CC(=O)NC/C=C/CNC(=O)OC(C)(C)C)c(C)n1-c1ccccc1 ZINC001546139159 1064366090 /nfs/dbraw/zinc/36/60/90/1064366090.db2.gz BMTUFWKPGMDCGY-MDZDMXLPSA-N 0 0 397.519 3.834 20 10 GHCDRN CNC(=O)c1ccc(NC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)cc1 ZINC001463592440 1064487677 /nfs/dbraw/zinc/48/76/77/1064487677.db2.gz SVMHDKKCGNQEKQ-UHFFFAOYSA-N 0 0 375.428 3.519 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC001351674195 1064559887 /nfs/dbraw/zinc/55/98/87/1064559887.db2.gz RQSGTXRMYTZCPB-MSOLQXFVSA-N 0 0 384.442 3.993 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCN(Cc3ccccc3)C2=O)cc1 ZINC001463779760 1064611190 /nfs/dbraw/zinc/61/11/90/1064611190.db2.gz UHFUXDDRGLNUMO-QFIPXVFZSA-N 0 0 393.531 3.540 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2c(Br)cnn2c1 ZINC001464077330 1064803662 /nfs/dbraw/zinc/80/36/62/1064803662.db2.gz YUUCJBZYPKGBBO-UHFFFAOYSA-N 0 0 399.292 3.627 20 10 GHCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1C[C@@]2(CCOC2)Oc2ccccc21 ZINC001352179070 1064909421 /nfs/dbraw/zinc/90/94/21/1064909421.db2.gz OSVTUEPTKDOSEP-OXQOHEQNSA-N 0 0 388.851 3.528 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)CC[C@@H]2[C@@H](C)Nc3ccnn3[C@H]2C)cc1 ZINC001464297232 1064946176 /nfs/dbraw/zinc/94/61/76/1064946176.db2.gz LUBWRIBRIDOPKY-FUHIMQAGSA-N 0 0 383.540 3.817 20 10 GHCDRN COc1ccc(CN2CC[C@@H]2C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1 ZINC001464345891 1064964688 /nfs/dbraw/zinc/96/46/88/1064964688.db2.gz GHHFQWSUINASKK-HSZRJFAPSA-N 0 0 395.547 3.773 20 10 GHCDRN C[C@H](O)CN(C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)C1CC1 ZINC000847365138 1065135796 /nfs/dbraw/zinc/13/57/96/1065135796.db2.gz HVXVEPIJGURLEO-GJZGRUSLSA-N 0 0 379.932 3.631 20 10 GHCDRN CCOC(=O)CN(C(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1)C(C)C ZINC001464668441 1065147918 /nfs/dbraw/zinc/14/79/18/1065147918.db2.gz LRWRJAJBZCTVEA-UHFFFAOYSA-N 0 0 384.476 3.629 20 10 GHCDRN O=C(NC[C@@H]1CCC2(CCCC2)O1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000847448802 1065315795 /nfs/dbraw/zinc/31/57/95/1065315795.db2.gz GLAIIMNFFJHDOU-RBUKOAKNSA-N 0 0 388.508 3.575 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(N3CCOCC3)c2)cc1F ZINC001465003933 1065320286 /nfs/dbraw/zinc/32/02/86/1065320286.db2.gz DHNHPSDQFMXRMR-UHFFFAOYSA-N 0 0 399.510 3.747 20 10 GHCDRN C[C@H]1Oc2ccc(NC(=O)N(C)Cc3ccc(N4CCCC4)cc3)cc2NC1=O ZINC001465075098 1065375201 /nfs/dbraw/zinc/37/52/01/1065375201.db2.gz KHPMIYNTOAJNND-OAHLLOKOSA-N 0 0 394.475 3.670 20 10 GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C/Sc1ccccc1 ZINC001546152158 1065399024 /nfs/dbraw/zinc/39/90/24/1065399024.db2.gz VJGTYUNUWIZTFF-MDZDMXLPSA-N 0 0 391.876 3.853 20 10 GHCDRN CCC(=O)N(C)c1ccc(NCc2ccc(N3CCN(C)CC3)c(F)c2)cc1 ZINC001353030498 1065574919 /nfs/dbraw/zinc/57/49/19/1065574919.db2.gz QASHSOGBKWWQRC-UHFFFAOYSA-N 0 0 384.499 3.562 20 10 GHCDRN COc1ccc(CNC(=S)Nc2c(C)cc(Br)cc2C)nc1 ZINC001200233383 1065691004 /nfs/dbraw/zinc/69/10/04/1065691004.db2.gz JCPSLROLVRCMKI-UHFFFAOYSA-N 0 0 380.311 3.956 20 10 GHCDRN O=C(NCCc1ccc(O)c(O)c1)C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000847590391 1065699164 /nfs/dbraw/zinc/69/91/64/1065699164.db2.gz XWRDLWNRHBSPCJ-UHFFFAOYSA-N 0 0 379.378 3.897 20 10 GHCDRN CNC(=O)Cc1ccccc1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001353165455 1065724918 /nfs/dbraw/zinc/72/49/18/1065724918.db2.gz UVGXPUJDQARRMS-UHFFFAOYSA-N 0 0 375.472 3.564 20 10 GHCDRN Cc1cn(C(C)(C)C(=O)NCc2ccc(N(C)C)cc2C)nc1C(F)(F)F ZINC001353245081 1065800035 /nfs/dbraw/zinc/80/00/35/1065800035.db2.gz IZHNTHVAVLYPHP-UHFFFAOYSA-N 0 0 382.430 3.636 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H](c1ccccc1F)[C@@H](C)O ZINC001300255503 1065852025 /nfs/dbraw/zinc/85/20/25/1065852025.db2.gz GXJLARPACOUFKL-OPAMFIHVSA-N 0 0 394.446 3.898 20 10 GHCDRN COC(=O)c1cc(NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)ccc1C ZINC001465828450 1065883645 /nfs/dbraw/zinc/88/36/45/1065883645.db2.gz XMXQBUYGTFNREL-MRXNPFEDSA-N 0 0 383.492 3.909 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001465844076 1065894574 /nfs/dbraw/zinc/89/45/74/1065894574.db2.gz CFPWDZFWOJCFDH-KRWDZBQOSA-N 0 0 382.460 3.890 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3[nH]ccc3-c3ccccc3)CC2)cc1F ZINC001465930165 1065927065 /nfs/dbraw/zinc/92/70/65/1065927065.db2.gz IIQDZLXWCKKKJI-UHFFFAOYSA-N 0 0 379.435 3.792 20 10 GHCDRN CC[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)N(C)C(=O)OC(C)(C)C ZINC001465953460 1065936440 /nfs/dbraw/zinc/93/64/40/1065936440.db2.gz GREWRYUYIBWMNE-QGZVFWFLSA-N 0 0 376.497 3.533 20 10 GHCDRN Cc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(N=NC(N)=O)cc3)n2)cc1F ZINC001466021899 1065958265 /nfs/dbraw/zinc/95/82/65/1065958265.db2.gz FJACNINSICPRBE-LLVKDONJSA-N 0 0 396.382 3.838 20 10 GHCDRN COc1cc(NC(=O)NCc2cc(Cl)ccc2O)ncc1Br ZINC001466147637 1065998008 /nfs/dbraw/zinc/99/80/08/1065998008.db2.gz CUVARSBZZYXSOC-UHFFFAOYSA-N 0 0 386.633 3.533 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)c1 ZINC001466303722 1066081310 /nfs/dbraw/zinc/08/13/10/1066081310.db2.gz YBQBCKFDFWKICQ-UHFFFAOYSA-N 0 0 381.354 3.913 20 10 GHCDRN CC(=O)N1CCC(C(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)CC1 ZINC001466398578 1066132249 /nfs/dbraw/zinc/13/22/49/1066132249.db2.gz IDQYEMZRSHIELD-QGZVFWFLSA-N 0 0 380.488 3.741 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC1([C@H](C)CCO)CCC1 ZINC001466421443 1066145120 /nfs/dbraw/zinc/14/51/20/1066145120.db2.gz KYPMFCXOYJKFQM-MRXNPFEDSA-N 0 0 382.504 3.825 20 10 GHCDRN CN1C(=O)C[C@@H](C(=O)NCc2cc(Cl)ccc2O)[C@@H]1c1cccc(Cl)c1 ZINC001300396215 1066210422 /nfs/dbraw/zinc/21/04/22/1066210422.db2.gz LRFXJVCKEHDUAV-QAPCUYQASA-N 0 0 393.270 3.535 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@](C)(O)C3CCCCC3)ccc21 ZINC001466864890 1066356444 /nfs/dbraw/zinc/35/64/44/1066356444.db2.gz RMLFFQHVNSVNTP-QHCPKHFHSA-N 0 0 386.536 3.966 20 10 GHCDRN Cc1noc(C)c1CN(C)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001466893699 1066373188 /nfs/dbraw/zinc/37/31/88/1066373188.db2.gz CANQNZKJWAWYQW-UHFFFAOYSA-N 0 0 376.420 3.665 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2cnc3nccn3c2)cc1 ZINC001467073114 1067049721 /nfs/dbraw/zinc/04/97/21/1067049721.db2.gz HGMUYPUAHIILGV-UHFFFAOYSA-N 0 0 390.447 3.623 20 10 GHCDRN C[C@@](NC(=O)NCc1cccc(Br)c1O)(C1CC1)C(F)(F)F ZINC001467425800 1067290288 /nfs/dbraw/zinc/29/02/88/1067290288.db2.gz GDJHORWLNNELHC-CYBMUJFWSA-N 0 0 381.192 3.685 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N(C)CC(=O)OC(C)(C)C)ccc1C ZINC001467546978 1067351250 /nfs/dbraw/zinc/35/12/50/1067351250.db2.gz MYVKBBTXRWGGLO-UHFFFAOYSA-N 0 0 384.476 3.629 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](CO)CC2CC2)c(C)n1-c1ccc(Br)cc1 ZINC001467698711 1067427491 /nfs/dbraw/zinc/42/74/91/1067427491.db2.gz SXZYRMFCSQYFOX-MRXNPFEDSA-N 0 0 391.309 3.747 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(CC(F)(F)F)[C@@H](C)C2)cc1 ZINC001358206491 1067440300 /nfs/dbraw/zinc/44/03/00/1067440300.db2.gz JJVYLGBAGXRGOW-INIZCTEOSA-N 0 0 379.426 3.803 20 10 GHCDRN COc1ccc2c(c1)OC[C@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 ZINC001358283913 1067465870 /nfs/dbraw/zinc/46/58/70/1067465870.db2.gz XBZHNGPISJCPDW-LJQANCHMSA-N 0 0 376.456 3.836 20 10 GHCDRN COc1ccc2c(c1)OC[C@@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 ZINC001358283911 1067465959 /nfs/dbraw/zinc/46/59/59/1067465959.db2.gz XBZHNGPISJCPDW-IBGZPJMESA-N 0 0 376.456 3.836 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cc2cnn3c2CCCC3)cc1 ZINC001358433753 1067522427 /nfs/dbraw/zinc/52/24/27/1067522427.db2.gz RBKXKISAWGJGGT-UHFFFAOYSA-N 0 0 392.503 3.650 20 10 GHCDRN COC[C@@H]1CCCCN(C(=O)Cn2c3ccc(OC)cc3c3c2CCCC3)C1 ZINC001358486941 1067542752 /nfs/dbraw/zinc/54/27/52/1067542752.db2.gz MFBCQTZLMNCFHG-QGZVFWFLSA-N 0 0 384.520 3.804 20 10 GHCDRN O=C(NCC[C@H]1OCCc2ccccc21)NCc1ccc(N2CCCC2)cc1 ZINC001467993246 1067557496 /nfs/dbraw/zinc/55/74/96/1067557496.db2.gz DWELKNREXSTMIF-JOCHJYFZSA-N 0 0 379.504 3.790 20 10 GHCDRN Cc1cccc(C)c1OC[C@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC001468223538 1067638017 /nfs/dbraw/zinc/63/80/17/1067638017.db2.gz VSSYTUHHUGVBKB-SFHVURJKSA-N 0 0 381.520 3.953 20 10 GHCDRN CCOc1ccc(/C=C2\SC(=S)N(CCCC(=O)OC)C2=O)c(C)c1 ZINC000849174842 1067753401 /nfs/dbraw/zinc/75/34/01/1067753401.db2.gz VTDBJKJMYSYRJV-PTNGSMBKSA-N 0 0 379.503 3.548 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)NCCOCc3ccccc3)cc2)CC1 ZINC001477823392 1078580283 /nfs/dbraw/zinc/58/02/83/1078580283.db2.gz RSNKXFXOLFQQKA-UHFFFAOYSA-N 0 0 381.520 3.939 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCc2c(F)ccc(Br)c2C1 ZINC001468554956 1067769380 /nfs/dbraw/zinc/76/93/80/1067769380.db2.gz QBUSHTABDOFLSD-KXFIGUGUSA-N 0 0 392.224 3.598 20 10 GHCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@@H](O)c1ccc(Cl)cc1F ZINC001468656754 1067809548 /nfs/dbraw/zinc/80/95/48/1067809548.db2.gz HXWZNCNXXBTGNT-SFHVURJKSA-N 0 0 396.809 3.861 20 10 GHCDRN CN1CCc2cc(NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)ccc2C1=O ZINC000849347351 1067816370 /nfs/dbraw/zinc/81/63/70/1067816370.db2.gz FGTLUMFIGUHPPO-UHFFFAOYSA-N 0 0 394.475 3.825 20 10 GHCDRN O=S(=O)(CCc1ccccc1F)N(Cc1ccccc1O)C1CCCC1 ZINC000849376508 1067826780 /nfs/dbraw/zinc/82/67/80/1067826780.db2.gz QVBILVDBOXEWSD-UHFFFAOYSA-N 0 0 377.481 3.848 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(Oc2ccnc(Cl)n2)cc1 ZINC001469113102 1067983113 /nfs/dbraw/zinc/98/31/13/1067983113.db2.gz NPYMUXHTLNOYGV-WAPJZHGLSA-N 0 0 383.791 3.985 20 10 GHCDRN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NCc3ccc(O)cc3O)c12 ZINC001469159635 1068002426 /nfs/dbraw/zinc/00/24/26/1068002426.db2.gz LGOAOGWPXMSGJQ-UHFFFAOYSA-N 0 0 396.491 3.959 20 10 GHCDRN COc1cc(Br)ccc1C(=O)NCc1ccc2cccnc2c1O ZINC001469248104 1068060042 /nfs/dbraw/zinc/06/00/42/1068060042.db2.gz FSZCWCPUFYRBBD-UHFFFAOYSA-N 0 0 387.233 3.642 20 10 GHCDRN COC(=O)/C=C/c1ccc(N(Cc2ccco2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000765622128 1068117289 /nfs/dbraw/zinc/11/72/89/1068117289.db2.gz FVGXJZLVTXEJCE-UGAXZCSASA-N 0 0 386.404 3.560 20 10 GHCDRN Cc1ccc2nc(C(=O)N(Cc3ccc(N(C)C)cc3)CC(F)(F)F)cn2c1 ZINC001359897214 1068245310 /nfs/dbraw/zinc/24/53/10/1068245310.db2.gz RAZATVOBHRKLTE-UHFFFAOYSA-N 0 0 390.409 3.913 20 10 GHCDRN Cc1ccc(-c2nc(SCC(=O)NCc3cc(Cl)ccc3O)n[nH]2)cc1 ZINC001469877806 1068444264 /nfs/dbraw/zinc/44/42/64/1068444264.db2.gz VGXCPMHTCRZJMB-UHFFFAOYSA-N 0 0 388.880 3.548 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC[C@H]1CCCNC(=O)NCc1c(O)cccc1F ZINC001470203531 1068623780 /nfs/dbraw/zinc/62/37/80/1068623780.db2.gz WAIUHVNSXNOYLE-CQSZACIVSA-N 0 0 395.475 3.510 20 10 GHCDRN Cc1ccsc1Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccccc1O ZINC001360980822 1068726036 /nfs/dbraw/zinc/72/60/36/1068726036.db2.gz HQEBGINCCCLOKH-QGZVFWFLSA-N 0 0 384.505 3.890 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1COC2(CCCCC2)O1 ZINC001478305864 1078805682 /nfs/dbraw/zinc/80/56/82/1078805682.db2.gz FEEWVQJKQSUBOX-FQEVSTJZSA-N 0 0 387.524 3.504 20 10 GHCDRN C/C(=C/c1cccnc1)C(=O)N1CCOc2cc(F)c(Br)cc21 ZINC001460437256 1068965032 /nfs/dbraw/zinc/96/50/32/1068965032.db2.gz XEPNLTCUWQRNRR-XFFZJAGNSA-N 0 0 377.213 3.812 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](C)[C@](C)(OC)C2CC2)CCCC1 ZINC001460904562 1069265693 /nfs/dbraw/zinc/26/56/93/1069265693.db2.gz MXUGMJWSRUMFBL-WNSKOXEYSA-N 0 0 384.520 3.849 20 10 GHCDRN C[C@H](NC(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccc(N(C)C)cc1 ZINC001478471184 1078881614 /nfs/dbraw/zinc/88/16/14/1078881614.db2.gz PZWHIMVOJQOJPS-SVIJTADQSA-N 0 0 389.446 3.921 20 10 GHCDRN CC[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC001478528618 1078906318 /nfs/dbraw/zinc/90/63/18/1078906318.db2.gz QLTUCKXCPRPZAU-YJLNNSPDSA-N 0 0 379.932 3.943 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)c1 ZINC001478534824 1078908319 /nfs/dbraw/zinc/90/83/19/1078908319.db2.gz KMTYKPDCKIREPX-GOEBONIOSA-N 0 0 375.266 3.818 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCSCCC(F)(F)F ZINC001470556176 1072624053 /nfs/dbraw/zinc/62/40/53/1072624053.db2.gz NUQCEIOMYXVIIZ-AWEZNQCLSA-N 0 0 391.503 3.977 20 10 GHCDRN COC(CNC(=O)c1ccc(-n2c(C)ccc2C)cc1)(OC)c1ccccc1 ZINC001470659275 1072674312 /nfs/dbraw/zinc/67/43/12/1072674312.db2.gz XXAXQAUNVGTXJE-UHFFFAOYSA-N 0 0 378.472 3.970 20 10 GHCDRN CCC[C@H](NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)C(C)(C)C ZINC001478664865 1078949630 /nfs/dbraw/zinc/94/96/30/1078949630.db2.gz YRSPTZRFZKNVSJ-KRWDZBQOSA-N 0 0 383.483 3.815 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)NCC3CCc4ccccc4CC3)C2)cc1 ZINC001470773743 1072730085 /nfs/dbraw/zinc/73/00/85/1072730085.db2.gz QRVDIPOVTGKLJR-OAQYLSRUSA-N 0 0 393.531 3.768 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001470907956 1072804961 /nfs/dbraw/zinc/80/49/61/1072804961.db2.gz RSCTVLRFXFGOKR-INIZCTEOSA-N 0 0 393.528 3.959 20 10 GHCDRN C[C@H](NC(=O)N[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC001470993965 1072872650 /nfs/dbraw/zinc/87/26/50/1072872650.db2.gz ICPVPJHZWIFWMC-QLFBSQMISA-N 0 0 377.485 3.540 20 10 GHCDRN C=CC(=O)Nc1ccc(O)c(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)c1 ZINC001471017350 1072885806 /nfs/dbraw/zinc/88/58/06/1072885806.db2.gz HHCVQQPRJXOGHR-UHFFFAOYSA-N 0 0 389.455 3.854 20 10 GHCDRN Cc1cc(CNC(=O)N2CCO[C@@H](C(F)(F)F)CC2)c(C)n1-c1ccccc1 ZINC001471037494 1072896319 /nfs/dbraw/zinc/89/63/19/1072896319.db2.gz NTQSHMINYDVVNH-GOSISDBHSA-N 0 0 395.425 3.957 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NCc3cscc3Cl)CC2)cc1 ZINC001471360143 1073038102 /nfs/dbraw/zinc/03/81/02/1073038102.db2.gz UCAIJYUGJQISJE-UHFFFAOYSA-N 0 0 379.913 3.832 20 10 GHCDRN Cc1cc(CCNC(=O)N2CC[C@H](O)C23CCCC3)c(C)n1-c1ccccc1 ZINC001479063327 1079088981 /nfs/dbraw/zinc/08/89/81/1079088981.db2.gz DRUVYGVTYWSYGB-NRFANRHFSA-N 0 0 381.520 3.726 20 10 GHCDRN CCOC(=O)c1cn(C)nc1NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC001472460676 1073498636 /nfs/dbraw/zinc/49/86/36/1073498636.db2.gz KCIZSGOMHPTKII-UHFFFAOYSA-N 0 0 394.475 3.873 20 10 GHCDRN COC(=O)/C=C\c1ccc(N2CC[C@@]3(CC(F)(F)C3(F)F)C2)c([N+](=O)[O-])c1 ZINC001472876275 1073707300 /nfs/dbraw/zinc/70/73/00/1073707300.db2.gz NHFDOZAJUDXDBD-UYWPIULCSA-N 0 0 388.317 3.652 20 10 GHCDRN C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CCCC(C)(C)C1 ZINC001473384316 1073943696 /nfs/dbraw/zinc/94/36/96/1073943696.db2.gz AVNMNBYNPRBOPL-HNNXBMFYSA-N 0 0 390.483 3.911 20 10 GHCDRN CC(C)Oc1ccc([C@@H](O)C[NH2+]Cc2cc(Br)cc(F)c2[O-])cc1 ZINC001474003627 1074232426 /nfs/dbraw/zinc/23/24/26/1074232426.db2.gz YSWHLMSCYBKRTA-KRWDZBQOSA-N 0 0 398.272 3.904 20 10 GHCDRN Cn1cc(C[C@@H]2CC[N@H+](Cc3cc(Cl)cc(Br)c3[O-])C2)cn1 ZINC001474360240 1074362940 /nfs/dbraw/zinc/36/29/40/1074362940.db2.gz MDPSMVAYEXNXAW-NSHDSACASA-N 0 0 384.705 3.606 20 10 GHCDRN COc1c(O)c(CN2CCCC[C@H]2c2noc(C(C)C)n2)ccc1[N+](=O)[O-] ZINC001474378575 1074374249 /nfs/dbraw/zinc/37/42/49/1074374249.db2.gz ASRWGHRJIPGPOG-AWEZNQCLSA-N 0 0 376.413 3.543 20 10 GHCDRN COCCC[N@H+](Cc1ccncc1)Cc1cc(Br)cc(F)c1[O-] ZINC001474502135 1074434846 /nfs/dbraw/zinc/43/48/46/1074434846.db2.gz UDKAFNHBHXVBRJ-UHFFFAOYSA-N 0 0 383.261 3.728 20 10 GHCDRN O=C1[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])CCN1c1ccc(C(F)(F)F)cc1 ZINC001474663582 1074505029 /nfs/dbraw/zinc/50/50/29/1074505029.db2.gz QUNIBIJAVKJMIW-CQSZACIVSA-N 0 0 386.320 3.584 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccc(Br)cc2O)CC1(C)C ZINC001474707529 1074526983 /nfs/dbraw/zinc/52/69/83/1074526983.db2.gz ZALWQRYJEYXVER-OAHLLOKOSA-N 0 0 399.329 3.890 20 10 GHCDRN COc1cc(CN2CCn3nc(C(F)(F)F)cc3C2)c(O)c(C(C)(C)C)c1 ZINC001474733611 1074538669 /nfs/dbraw/zinc/53/86/69/1074538669.db2.gz JQXXZEWDYIJBJZ-UHFFFAOYSA-N 0 0 383.414 3.929 20 10 GHCDRN CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc3ccnc(Cl)c3c2)cc1 ZINC001474788163 1074563128 /nfs/dbraw/zinc/56/31/28/1074563128.db2.gz SZOVDGICIMIQFD-UHFFFAOYSA-N 0 0 389.908 3.775 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3nc4c(s3)CCCCC4)C2)cc1 ZINC001476077575 1075080651 /nfs/dbraw/zinc/08/06/51/1075080651.db2.gz RLHDWHMRPLGFPA-CQSZACIVSA-N 0 0 386.521 3.821 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000737269263 599063576 /nfs/dbraw/zinc/06/35/76/599063576.db2.gz AWQIQXYQBTYBQI-UHFFFAOYSA-N 0 0 376.386 3.872 20 10 GHCDRN Cc1cc(C=C2SC(=S)N(c3ccccc3-c3nn[nH]n3)C2=O)ccc1F ZINC000737263405 598287921 /nfs/dbraw/zinc/28/79/21/598287921.db2.gz UMSJUDIIIHFIDR-OQLLNIDSSA-N 0 0 397.460 3.720 20 10 GHCDRN CC1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)cc2)CC1 ZINC000736281767 598503285 /nfs/dbraw/zinc/50/32/85/598503285.db2.gz WMZBTAKNRWMISR-UHFFFAOYSA-N 0 0 393.451 3.623 20 10 GHCDRN O=C(Nc1cccc(-c2nn[nH]n2)c1)N(Cc1ccccc1O)C1CCCCC1 ZINC000738179388 598813065 /nfs/dbraw/zinc/81/30/65/598813065.db2.gz SZFPPKNOCLTDGV-UHFFFAOYSA-N 0 0 392.463 3.939 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNc1ccc(-c2nn[nH]n2)cc1C(F)(F)F ZINC000737269312 599526649 /nfs/dbraw/zinc/52/66/49/599526649.db2.gz CLHBYCKRYDGRKI-UHFFFAOYSA-N 0 0 376.386 3.872 20 10 GHCDRN COC(=O)c1cc2ccccc2c(C[N@@H+]2Cc3ccc(C(=O)[O-])cc3C2)c1O ZINC000737678418 600078168 /nfs/dbraw/zinc/07/81/68/600078168.db2.gz RMDIYASOXVOLAN-UHFFFAOYSA-N 0 0 377.396 3.546 20 10 GHCDRN O=C([O-])C[C@H]1CSCC[N@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC000739657106 600705195 /nfs/dbraw/zinc/70/51/95/600705195.db2.gz BHZWZJYHVOMTIC-ZDUSSCGKSA-N 0 0 396.306 3.700 20 10 GHCDRN CCc1ccccc1N1C(=O)C(=Cc2cc(-c3nn[nH]n3)cs2)SC1=S ZINC000821497186 606336103 /nfs/dbraw/zinc/33/61/03/606336103.db2.gz QNPMSLIWEHYHJO-ZSOIEALJSA-N 0 0 399.526 3.896 20 10 GHCDRN CC(C)CN(C(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824248933 607980209 /nfs/dbraw/zinc/98/02/09/607980209.db2.gz DGFGKOIUUWGXCB-WMZJFQQLSA-N 0 0 382.855 3.618 20 10 GHCDRN Cc1ccc(N2C(=O)C(=Cc3ccc(F)c(-c4nn[nH]n4)c3)SC2=S)cc1 ZINC000826289571 608873985 /nfs/dbraw/zinc/87/39/85/608873985.db2.gz FYCBRTLFHRCUMB-DHDCSXOGSA-N 0 0 397.460 3.720 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)NCC[C@@H]1CCC2(CCOCC2)CO1 ZINC000890909756 837525313 /nfs/dbraw/zinc/52/53/13/837525313.db2.gz FWKPJJLPZWTWFR-IBGZPJMESA-N 0 0 390.524 3.680 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCCC[C@@]2(C)NC(=O)OC(C)(C)C)c1 ZINC001167293551 837670483 /nfs/dbraw/zinc/67/04/83/837670483.db2.gz IRUVQEUQDGNGHQ-IIBYNOLFSA-N 0 0 376.497 3.790 20 10 GHCDRN CCc1cc2c(ncnc2NCc2ccc(N3CCC(O)CC3)c(F)c2)s1 ZINC000052457706 834716694 /nfs/dbraw/zinc/71/66/94/834716694.db2.gz UXEQAVIHOOLUKI-UHFFFAOYSA-N 0 0 386.496 3.966 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N(CCO)CC(F)F)cc1 ZINC000588614275 834924332 /nfs/dbraw/zinc/92/43/32/834924332.db2.gz SABBGRBFQLGJCX-UHFFFAOYSA-N 0 0 376.407 3.868 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)NC(=O)Nc1ccccc1 ZINC000161868140 834988815 /nfs/dbraw/zinc/98/88/15/834988815.db2.gz ITNADAHHCLIGAI-UHFFFAOYSA-N 0 0 382.508 3.701 20 10 GHCDRN COc1cccc(C[N@H+](C)Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])c1 ZINC000728194518 835092783 /nfs/dbraw/zinc/09/27/83/835092783.db2.gz MODSIBSXMXEBCU-UHFFFAOYSA-N 0 0 377.440 3.969 20 10 GHCDRN COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c(OC)c1 ZINC000120349824 835193413 /nfs/dbraw/zinc/19/34/13/835193413.db2.gz KJSURAZZYIGSGX-FQEVSTJZSA-N 0 0 398.503 3.591 20 10 GHCDRN O=C(Nc1cccc(N2CCCCCC2)c1)c1cccc(N2C(=O)CCC2=O)c1 ZINC000131727476 835251586 /nfs/dbraw/zinc/25/15/86/835251586.db2.gz BEXJXNRCBDWKQO-UHFFFAOYSA-N 0 0 391.471 3.973 20 10 GHCDRN O=C(/C=C\c1ccccc1Cl)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000255632759 835375940 /nfs/dbraw/zinc/37/59/40/835375940.db2.gz GMYUUXWBFPISHR-VURMDHGXSA-N 0 0 388.870 3.770 20 10 GHCDRN O=C(/C=C\c1cncc(F)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000254956674 835380534 /nfs/dbraw/zinc/38/05/34/835380534.db2.gz ZVAHGTFQEUEGKB-HQOGMNCSSA-N 0 0 391.393 3.621 20 10 GHCDRN Cc1cc(C(=O)CN2CCC[C@@H](C3OCCO3)C2)c(C)n1-c1cccc(F)c1 ZINC000728928476 844073960 /nfs/dbraw/zinc/07/39/60/844073960.db2.gz UTKZEGYIQGSESF-QGZVFWFLSA-N 0 0 386.467 3.501 20 10 GHCDRN COc1ccc(CNc2ccc(-c3nnc4n3CCCC4)cc2)c(O)c1OC ZINC000892372424 835719498 /nfs/dbraw/zinc/71/94/98/835719498.db2.gz HABZSCRTSIFYEX-UHFFFAOYSA-N 0 0 380.448 3.616 20 10 GHCDRN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000255010912 835831658 /nfs/dbraw/zinc/83/16/58/835831658.db2.gz PYBXBTXVJPYOFL-HZPDHXFCSA-N 0 0 393.491 3.894 20 10 GHCDRN C[C@H](C1CC1)n1nccc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000274992769 835880271 /nfs/dbraw/zinc/88/02/71/835880271.db2.gz ZHFWMRQXQGOATJ-CRAIPNDOSA-N 0 0 384.480 3.773 20 10 GHCDRN Cc1cc(C(=O)N[C@H](C)c2nnc3ccccn32)c(C)n1-c1ccc(F)cc1 ZINC000052971908 835881246 /nfs/dbraw/zinc/88/12/46/835881246.db2.gz JQHLPAXWSNDEAH-CQSZACIVSA-N 0 0 377.423 3.767 20 10 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CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(N(CC)CC)nc1 ZINC000124439733 840976937 /nfs/dbraw/zinc/97/69/37/840976937.db2.gz XNBAYSJFCJOCNJ-UHFFFAOYSA-N 0 0 383.540 3.726 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000588405262 840991416 /nfs/dbraw/zinc/99/14/16/840991416.db2.gz YRQXLXQINWCVND-UITAMQMPSA-N 0 0 380.375 3.863 20 10 GHCDRN CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000157819217 841160822 /nfs/dbraw/zinc/16/08/22/841160822.db2.gz GWHBZAYSLLZVPB-UHFFFAOYSA-N 0 0 392.455 3.818 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000471649842 841270858 /nfs/dbraw/zinc/27/08/58/841270858.db2.gz QUGWCSNZGVMWPW-UHFFFAOYSA-N 0 0 387.487 3.731 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000255320398 841661794 /nfs/dbraw/zinc/66/17/94/841661794.db2.gz FRBHHWPUKQQMMK-IBGZPJMESA-N 0 0 379.464 3.567 20 10 GHCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCCC2(CN(CCCC(F)(F)F)C2)C1 ZINC001279108704 841664314 /nfs/dbraw/zinc/66/43/14/841664314.db2.gz 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O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000054786176 853532584 /nfs/dbraw/zinc/53/25/84/853532584.db2.gz YEPIHTPJMSTHDX-OAQYLSRUSA-N 0 0 383.467 3.709 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(Cl)c(C)cc2Cl)c1 ZINC000163927076 853633640 /nfs/dbraw/zinc/63/36/40/853633640.db2.gz IMBHGCHZBFJYGG-JTQLQIEISA-N 0 0 397.258 3.832 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000156329406 853653390 /nfs/dbraw/zinc/65/33/90/853653390.db2.gz USHIPFZHEBMJOI-SFHVURJKSA-N 0 0 398.528 3.644 20 10 GHCDRN CC(C)(C)c1cnc(SCC(=O)Nc2cccc(S(C)(=O)=O)c2)s1 ZINC000164266687 853802218 /nfs/dbraw/zinc/80/22/18/853802218.db2.gz XPYDOIPMOMVTBR-UHFFFAOYSA-N 0 0 384.548 3.575 20 10 GHCDRN Cc1cc(C(=O)NC2(c3ccccc3)CCOCC2)c(C)n1-c1ccccn1 ZINC000732779115 862506121 /nfs/dbraw/zinc/50/61/21/862506121.db2.gz PKCNLDTZWPNQIA-UHFFFAOYSA-N 0 0 375.472 3.925 20 10 GHCDRN Cc1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1C#N ZINC000164307132 853911102 /nfs/dbraw/zinc/91/11/02/853911102.db2.gz WTCATLHEFSETKH-UHFFFAOYSA-N 0 0 391.471 3.872 20 10 GHCDRN O=C(CCSc1ccccc1F)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000055523656 853927527 /nfs/dbraw/zinc/92/75/27/853927527.db2.gz GPWRXQGHECYPBR-UHFFFAOYSA-N 0 0 392.471 3.600 20 10 GHCDRN CCN1CCc2ccc(-c3noc(/C=C/c4cc(O)c(O)c(OC)c4)n3)cc21 ZINC001212151847 854287996 /nfs/dbraw/zinc/28/79/96/854287996.db2.gz BRZXMEFSLOVBLB-QPJJXVBHSA-N 0 0 379.416 3.709 20 10 GHCDRN O=C(CSc1nccs1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000056259178 854604944 /nfs/dbraw/zinc/60/49/44/854604944.db2.gz ANWFMZUJJIFSME-AWEZNQCLSA-N 0 0 376.503 3.760 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NCc3nc4ccccc4s3)CC2)cc1 ZINC000056371086 854677931 /nfs/dbraw/zinc/67/79/31/854677931.db2.gz COYXHYHAWGEWMZ-UHFFFAOYSA-N 0 0 396.516 3.727 20 10 GHCDRN Cc1cn(-c2ccccc2)nc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000186227824 854766675 /nfs/dbraw/zinc/76/66/75/854766675.db2.gz XQDPDZFJBXLACG-FQEVSTJZSA-N 0 0 391.471 3.708 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000045424548 854851847 /nfs/dbraw/zinc/85/18/47/854851847.db2.gz IZLNZUVAQKHRFJ-UHFFFAOYSA-N 0 0 391.519 3.713 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CCC[C@H]1c1ccsc1 ZINC000520449241 854881575 /nfs/dbraw/zinc/88/15/75/854881575.db2.gz ANNPTWHROIEZRQ-KRWDZBQOSA-N 0 0 381.501 3.528 20 10 GHCDRN COCCN(CC(F)F)C(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000171460791 854956510 /nfs/dbraw/zinc/95/65/10/854956510.db2.gz CPOXBGFLMASDSS-WCWDXBQESA-N 0 0 390.390 3.781 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)N[C@@H](C)c3ccc(F)cc3F)CC2)cc1 ZINC000056778758 855018758 /nfs/dbraw/zinc/01/87/58/855018758.db2.gz HMPLKENMDMURFI-HNNXBMFYSA-N 0 0 389.446 3.956 20 10 GHCDRN COc1cc(N2CCN(C(=O)Nc3ccc(C)cc3C)CC2)cc(OC)c1OC ZINC000006626903 855042062 /nfs/dbraw/zinc/04/20/62/855042062.db2.gz KLKJFONVRHOXNL-UHFFFAOYSA-N 0 0 399.491 3.683 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)N[C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000056881870 855121463 /nfs/dbraw/zinc/12/14/63/855121463.db2.gz GFOZDZJZUYNLOG-QGZVFWFLSA-N 0 0 378.476 3.550 20 10 GHCDRN Cc1cc(C(=O)NC[C@@H](C[C@H](C)O)c2ccccc2)c(C)n1-c1ccccn1 ZINC000160024504 855121470 /nfs/dbraw/zinc/12/14/70/855121470.db2.gz MDVHNONQXQXCDO-FXAWDEMLSA-N 0 0 377.488 3.774 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)CCCNC(=O)C1CCC1 ZINC000760789295 855546732 /nfs/dbraw/zinc/54/67/32/855546732.db2.gz HRESAKGAZBIMBW-UHFFFAOYSA-N 0 0 381.520 3.781 20 10 GHCDRN Cc1cc(C(=O)N(C)CCCNC(=O)C2CCC2)c(C)n1-c1cccc(C)c1 ZINC000760789973 855555431 /nfs/dbraw/zinc/55/54/31/855555431.db2.gz JXZXWKGIWOFEGP-UHFFFAOYSA-N 0 0 381.520 3.781 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)CO[C@@H]3CCCC[C@H]3C)cc2F)C[C@H](C)O1 ZINC000733097889 862714155 /nfs/dbraw/zinc/71/41/55/862714155.db2.gz OZOMDPIBRSOWKE-PZTGFMGMSA-N 0 0 392.515 3.651 20 10 GHCDRN Cc1nc(CCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cs1 ZINC000733104416 862720229 /nfs/dbraw/zinc/72/02/29/862720229.db2.gz BHFOYZPZTHRYJK-UHFFFAOYSA-N 0 0 395.475 3.771 20 10 GHCDRN CCC1(CC)[C@H](NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)C[C@@H]1OC ZINC000765877164 855870679 /nfs/dbraw/zinc/87/06/79/855870679.db2.gz VMSAFHTYRXYZSY-UXHICEINSA-N 0 0 389.540 3.557 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2Cc3ccc(Br)cc3C2)cc1F ZINC000765882773 855887937 /nfs/dbraw/zinc/88/79/37/855887937.db2.gz SQWMZMLEAVTYEV-UHFFFAOYSA-N 0 0 392.272 3.880 20 10 GHCDRN Cc1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)ccc1C(=O)N(C)C ZINC000172586688 856033900 /nfs/dbraw/zinc/03/39/00/856033900.db2.gz VAPIBJIYVJYEQG-UHFFFAOYSA-N 0 0 380.492 3.619 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)NCCCn3nc(C)cc3C)ccc21 ZINC000485148335 856145450 /nfs/dbraw/zinc/14/54/50/856145450.db2.gz VTZPHDDVBSOQOY-UHFFFAOYSA-N 0 0 382.508 3.538 20 10 GHCDRN COc1ccc(N2CCN([C@H](C)C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 ZINC000058126758 856180162 /nfs/dbraw/zinc/18/01/62/856180162.db2.gz CBDRZGYVMOPIJM-LJQANCHMSA-N 0 0 381.520 3.770 20 10 GHCDRN Cc1nn(CC(F)F)c(C)c1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000760852312 856184798 /nfs/dbraw/zinc/18/47/98/856184798.db2.gz LNIQPJZOJARHHD-UHFFFAOYSA-N 0 0 376.451 3.685 20 10 GHCDRN Cc1cc(N2CC=C(c3c[nH]c4ncccc34)CC2)n2nc(C(F)(F)F)nc2n1 ZINC000026700707 856198127 /nfs/dbraw/zinc/19/81/27/856198127.db2.gz YIGAGMBRGNHXAC-UHFFFAOYSA-N 0 0 399.380 3.622 20 10 GHCDRN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])[C@@]12CCCO2 ZINC000760882759 856214709 /nfs/dbraw/zinc/21/47/09/856214709.db2.gz ZTYLRSZAPHTGEE-VWPGPWOISA-N 0 0 388.277 3.671 20 10 GHCDRN CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCc1ccccc1O ZINC000760891703 856263671 /nfs/dbraw/zinc/26/36/71/856263671.db2.gz OJJLILTWJBLFDF-UHFFFAOYSA-N 0 0 391.265 3.533 20 10 GHCDRN COc1ccc(N2CCN(C(=O)CSCc3cc(F)ccc3F)CC2)cc1 ZINC000195541033 856271444 /nfs/dbraw/zinc/27/14/44/856271444.db2.gz VECUCDHWGSFCBI-UHFFFAOYSA-N 0 0 392.471 3.555 20 10 GHCDRN Cc1cc(C(=O)NCc2cc3c([nH]c2=O)CCC3)c(C)n1-c1ccc(F)cc1 ZINC000733180192 862783832 /nfs/dbraw/zinc/78/38/32/862783832.db2.gz QVCBMGZLIAAEOL-UHFFFAOYSA-N 0 0 379.435 3.753 20 10 GHCDRN CN(CCCNC(=S)Nc1cccc(N=S(C)(C)=O)c1)c1ccccc1 ZINC000905565799 856398432 /nfs/dbraw/zinc/39/84/32/856398432.db2.gz UYXSYHWUGRTZNB-UHFFFAOYSA-N 0 0 390.578 3.859 20 10 GHCDRN Cc1cc(C(=O)N2CCOC[C@@H]2c2c(C)n[nH]c2C)c(C)n1-c1ccc(F)cc1 ZINC000766055290 862823332 /nfs/dbraw/zinc/82/33/32/862823332.db2.gz KHHHPBWFSQHHQU-HXUWFJFHSA-N 0 0 396.466 3.787 20 10 GHCDRN CCc1c(C(=O)N[C@@H](C)c2cc(OC)ccc2O)cnn1-c1ccccc1C ZINC000186177222 856718233 /nfs/dbraw/zinc/71/82/33/856718233.db2.gz KKNISORQDXGKHO-HNNXBMFYSA-N 0 0 379.460 3.948 20 10 GHCDRN Cc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1C(=O)N(C)C(C)C ZINC000281067965 862831604 /nfs/dbraw/zinc/83/16/04/862831604.db2.gz QCYBRAIUQLIVDS-OAHLLOKOSA-N 0 0 399.491 3.639 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(-c2cccnc2)nn1C ZINC000906344191 857017763 /nfs/dbraw/zinc/01/77/63/857017763.db2.gz CEJAQEKJVJDBRP-UHFFFAOYSA-N 0 0 377.492 3.599 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NC[C@H]2OCCc3ccccc32)cc1F ZINC000733347578 862861890 /nfs/dbraw/zinc/86/18/90/862861890.db2.gz CWXZRMLMIQNSOD-OAQYLSRUSA-N 0 0 385.483 3.785 20 10 GHCDRN COCC1(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)CC1 ZINC000766124330 857321282 /nfs/dbraw/zinc/32/12/82/857321282.db2.gz WSWOHXZTGMXYFG-UHFFFAOYSA-N 0 0 377.282 3.765 20 10 GHCDRN CCOC(=O)c1ccsc1NC(=O)CSc1nc2cc(F)c(F)cc2[nH]1 ZINC000027079912 857375166 /nfs/dbraw/zinc/37/51/66/857375166.db2.gz RGMDDUQDIVBDIW-UHFFFAOYSA-N 0 0 397.428 3.810 20 10 GHCDRN COc1ccc(N2CCN(C(=O)CCCC(=O)c3ccc(C)cc3)CC2)cc1 ZINC000766134583 857387567 /nfs/dbraw/zinc/38/75/67/857387567.db2.gz NJMCUJQXZRECHW-UHFFFAOYSA-N 0 0 380.488 3.705 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)NCC(=O)OCc3ccccc3)c2C)cc1 ZINC000027079459 857387966 /nfs/dbraw/zinc/38/79/66/857387966.db2.gz NIAIDPVHZSKJEH-UHFFFAOYSA-N 0 0 392.455 3.576 20 10 GHCDRN Cc1cccc(-n2ccnc2SCC(=O)NCc2ccc(N(C)C)cc2)c1C ZINC000019472661 857412221 /nfs/dbraw/zinc/41/22/21/857412221.db2.gz NKIWWMCVKFPCHC-UHFFFAOYSA-N 0 0 394.544 3.964 20 10 GHCDRN CC(C)c1ccc(Cn2nccc2NC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000157796316 857503504 /nfs/dbraw/zinc/50/35/04/857503504.db2.gz KPWNECXSHJLWTD-UHFFFAOYSA-N 0 0 394.475 3.830 20 10 GHCDRN Cc1cc(CC(=O)OCCCN2CCCC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000733421903 862933348 /nfs/dbraw/zinc/93/33/48/862933348.db2.gz IJEDXPPTNDGEQO-UHFFFAOYSA-N 0 0 388.895 3.846 20 10 GHCDRN Cc1sc(=O)n(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1-c1ccccc1 ZINC000907492930 857660543 /nfs/dbraw/zinc/66/05/43/857660543.db2.gz MWIURPLJBLRCDH-HNNXBMFYSA-N 0 0 395.528 3.829 20 10 GHCDRN COc1ccc([C@H](C)CC(=O)NCc2cccc(Br)c2O)cc1 ZINC000765770889 857713233 /nfs/dbraw/zinc/71/32/33/857713233.db2.gz RVSJOZOXZGDBPS-GFCCVEGCSA-N 0 0 378.266 3.973 20 10 GHCDRN Cc1cc(C(=O)N2CCO[C@]3(CCCOC3)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000804132607 857834755 /nfs/dbraw/zinc/83/47/55/857834755.db2.gz VJIMCRFLORZPPG-HSZRJFAPSA-N 0 0 382.504 3.733 20 10 GHCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@@H]1CCCc2ccccc21 ZINC000761075864 858270442 /nfs/dbraw/zinc/27/04/42/858270442.db2.gz GHCVDCSLGKZTPB-HNNXBMFYSA-N 0 0 384.863 3.930 20 10 GHCDRN Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1ccc(C2=S=CC=C2)o1 ZINC000543092499 858305366 /nfs/dbraw/zinc/30/53/66/858305366.db2.gz VJQBPYPCPUDCKO-UHFFFAOYSA-N 0 0 399.422 3.989 20 10 GHCDRN O=C1[C@H](Cc2ccccc2)N(C2CC2)C(=O)N1Cc1ccc(N2CCCC2)cc1 ZINC000761088207 858355183 /nfs/dbraw/zinc/35/51/83/858355183.db2.gz BJZCDUSZBLZNBV-QFIPXVFZSA-N 0 0 389.499 3.825 20 10 GHCDRN CCN(CC)c1ccc(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)cc1 ZINC000761089062 858367994 /nfs/dbraw/zinc/36/79/94/858367994.db2.gz DFLHCAAOFKZYTR-OAQYLSRUSA-N 0 0 390.487 3.677 20 10 GHCDRN CCS(=O)(=O)Nc1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1 ZINC000129850345 858526141 /nfs/dbraw/zinc/52/61/41/858526141.db2.gz BAUIARAVLVYWHI-UHFFFAOYSA-N 0 0 398.488 3.503 20 10 GHCDRN COC(=O)c1nccc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)n1 ZINC001128629446 863057771 /nfs/dbraw/zinc/05/77/71/863057771.db2.gz LVACJLZRSSLMRY-UHFFFAOYSA-N 0 0 384.823 3.576 20 10 GHCDRN Cc1cc(C(=O)NCc2cccnc2-n2ccnc2)c(C)n1-c1cccc(C)c1 ZINC000042497910 858864044 /nfs/dbraw/zinc/86/40/44/858864044.db2.gz GMASXZBHZBNXHD-UHFFFAOYSA-N 0 0 385.471 3.913 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1nc(-c2ccc(F)cc2)cs1 ZINC000184833619 859003992 /nfs/dbraw/zinc/00/39/92/859003992.db2.gz CIBXJYUFDKLYBP-UHFFFAOYSA-N 0 0 397.475 3.983 20 10 GHCDRN O=C(CCC(F)(F)F)NCc1cc(NC(=O)CCC(F)(F)F)ccc1O ZINC000923118784 859037167 /nfs/dbraw/zinc/03/71/67/859037167.db2.gz GLKSHFCRMRSJSP-UHFFFAOYSA-N 0 0 386.292 3.632 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc4c(c3)NC(=O)C4)ccc21 ZINC000895326829 859127864 /nfs/dbraw/zinc/12/78/64/859127864.db2.gz HMEMDCLOHTVTKC-UHFFFAOYSA-N 0 0 377.444 3.651 20 10 GHCDRN O=C(NCCCSc1nccs1)Nc1ccccc1O[C@H]1CCOC1 ZINC000760066140 859402276 /nfs/dbraw/zinc/40/22/76/859402276.db2.gz OKDLNMCNYDQMNB-ZDUSSCGKSA-N 0 0 379.507 3.615 20 10 GHCDRN COCc1ccc(/C=C2/SC(=S)N(c3cc(OC)ccc3OC)C2=O)o1 ZINC000764410973 859431356 /nfs/dbraw/zinc/43/13/56/859431356.db2.gz DONCPFQDHHRSFQ-CXUHLZMHSA-N 0 0 391.470 3.849 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000764559977 859497106 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GHCDRN C[C@@H]1Cc2ccc(Br)cc2CN1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768465723 873330757 /nfs/dbraw/zinc/33/07/57/873330757.db2.gz RHLLOSCHQXLXRH-ADLMAVQZSA-N 0 0 390.277 3.527 20 10 GHCDRN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)c1C ZINC000768507241 873343787 /nfs/dbraw/zinc/34/37/87/873343787.db2.gz FDEIKRZTCXHERS-UHFFFAOYSA-N 0 0 394.493 3.746 20 10 GHCDRN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000804368799 873355330 /nfs/dbraw/zinc/35/53/30/873355330.db2.gz PVQCAYNICNLICK-IBGZPJMESA-N 0 0 394.393 3.662 20 10 GHCDRN COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c(O)c1 ZINC000794374923 882733808 /nfs/dbraw/zinc/73/38/08/882733808.db2.gz ZKPOEEARBYVGJP-UHFFFAOYSA-N 0 0 376.434 3.740 20 10 GHCDRN COc1c(Br)ccc(F)c1C(=O)N1CCc2cccc(O)c2C1 ZINC001197070793 873577769 /nfs/dbraw/zinc/57/77/69/873577769.db2.gz JYVZOCMOHSPLGN-UHFFFAOYSA-N 0 0 380.213 3.501 20 10 GHCDRN Cc1ccc(CN(C)C(=O)NCc2ccc(N3CCSCC3)cc2)s1 ZINC000102782639 873581159 /nfs/dbraw/zinc/58/11/59/873581159.db2.gz OLKVUQRBWKRKSN-UHFFFAOYSA-N 0 0 375.563 3.951 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1cnn(C2CCOCC2)c1 ZINC001197126834 873615524 /nfs/dbraw/zinc/61/55/24/873615524.db2.gz ZXRMYGITTNWNRD-HXUWFJFHSA-N 0 0 383.492 3.610 20 10 GHCDRN COC(=O)CNC(=S)N(C)CCC=C1c2ccccc2CCc2ccccc21 ZINC001197181901 873618067 /nfs/dbraw/zinc/61/80/67/873618067.db2.gz BXGNTZDFFGKRDN-UHFFFAOYSA-N 0 0 394.540 3.586 20 10 GHCDRN CC(=O)NCCCCCNS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197187765 873621912 /nfs/dbraw/zinc/62/19/12/873621912.db2.gz MDCVIASHBOALPK-GHVJWSGMSA-N 0 0 388.493 3.687 20 10 GHCDRN CCOC(=O)[C@H](CC)NS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197187795 873621927 /nfs/dbraw/zinc/62/19/27/873621927.db2.gz MLAOFGJGJFCYPM-NRTINQSCSA-N 0 0 375.450 3.722 20 10 GHCDRN O=c1[nH]ccc2c1CCN(S(=O)(=O)c1ccc(N=Nc3ccccc3)cc1)C2 ZINC001197175767 873639075 /nfs/dbraw/zinc/63/90/75/873639075.db2.gz DVSXJOCNZNHUIR-GHVJWSGMSA-N 0 0 394.456 3.950 20 10 GHCDRN O=C1OCCC12CCN(S(=O)(=O)c1ccc(/N=N/c3ccccc3)cc1)CC2 ZINC001197176317 873640402 /nfs/dbraw/zinc/64/04/02/873640402.db2.gz QVANHJQQSDRESW-QURGRASLSA-N 0 0 399.472 3.820 20 10 GHCDRN O=S(=O)(NCCO[C@@H]1CCCCO1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197196768 873645447 /nfs/dbraw/zinc/64/54/47/873645447.db2.gz FRXSMIIITOBJJZ-XKXPVHLMSA-N 0 0 389.477 3.924 20 10 GHCDRN CCOC(=O)CC1(NS(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)CC1 ZINC001197197094 873645452 /nfs/dbraw/zinc/64/54/52/873645452.db2.gz VSGLVYKWYAZGGO-QZQOTICOSA-N 0 0 387.461 3.866 20 10 GHCDRN CCOC(=O)c1ccnc(CNC(=S)Nc2ccccc2C(F)(F)F)c1 ZINC001197275688 873687562 /nfs/dbraw/zinc/68/75/62/873687562.db2.gz KQQNJKBZRYRJDD-UHFFFAOYSA-N 0 0 383.395 3.764 20 10 GHCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CCc4c3cccc4Cl)CC2)cc1F ZINC000775772109 873755514 /nfs/dbraw/zinc/75/55/14/873755514.db2.gz ZSHCDLUUNUWEEU-QGZVFWFLSA-N 0 0 388.870 3.866 20 10 GHCDRN CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000769002983 873767311 /nfs/dbraw/zinc/76/73/11/873767311.db2.gz DKMBLRSTGCPRCM-HIFRSBDPSA-N 0 0 383.330 3.672 20 10 GHCDRN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000769076451 873803822 /nfs/dbraw/zinc/80/38/22/873803822.db2.gz HGXMPIJSRIOHAM-SFHVURJKSA-N 0 0 377.529 3.650 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2cccc3c2CCN3C(C)=O)cc1F ZINC000769250304 873923796 /nfs/dbraw/zinc/92/37/96/873923796.db2.gz JKSWLHIDXAXDML-UHFFFAOYSA-N 0 0 398.482 3.903 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000769279811 873940333 /nfs/dbraw/zinc/94/03/33/873940333.db2.gz AKGLBOJTDUSVOK-IBGZPJMESA-N 0 0 382.460 3.542 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000760133436 873944519 /nfs/dbraw/zinc/94/45/19/873944519.db2.gz QPSLZGPEPSJLQI-GJZGRUSLSA-N 0 0 392.496 3.615 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)NC[C@H](O)c3cccc(C)c3)c2C)cc1 ZINC000769304021 873952924 /nfs/dbraw/zinc/95/29/24/873952924.db2.gz JWXULULVXIWCBX-QFIPXVFZSA-N 0 0 378.472 3.875 20 10 GHCDRN CCCn1ccc2ccc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)cc21 ZINC000174703292 873960855 /nfs/dbraw/zinc/96/08/55/873960855.db2.gz JTINEKWQZAWUSI-UHFFFAOYSA-N 0 0 392.503 3.714 20 10 GHCDRN COC(=O)CN(Cc1cn(-c2ccccc2)nc1C)Cc1cc(Cl)ccc1O ZINC000769379623 874007444 /nfs/dbraw/zinc/00/74/44/874007444.db2.gz CQCPMWBRWPATIG-UHFFFAOYSA-N 0 0 399.878 3.715 20 10 GHCDRN COC(=O)CN(Cc1cc(-c2ccccc2)n[nH]1)Cc1cc(Cl)ccc1O ZINC000769381024 874008063 /nfs/dbraw/zinc/00/80/63/874008063.db2.gz ZPPYAWOIBZSMKG-UHFFFAOYSA-N 0 0 385.851 3.611 20 10 GHCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)c1[O-] ZINC000769424308 874046100 /nfs/dbraw/zinc/04/61/00/874046100.db2.gz LHXOUBMRMFWVNC-QGZVFWFLSA-N 0 0 376.840 3.826 20 10 GHCDRN COCCn1cc(CN(C)Cc2cc(C)n(-c3ccc(OC)cc3)c2C)cn1 ZINC000769524443 874132068 /nfs/dbraw/zinc/13/20/68/874132068.db2.gz DVWOEWZBPWIIBR-UHFFFAOYSA-N 0 0 382.508 3.578 20 10 GHCDRN CCOc1ccc(C[N@H+](C)[C@H](CO)c2cccc(Br)c2)c(O)c1 ZINC000769528822 874135298 /nfs/dbraw/zinc/13/52/98/874135298.db2.gz ZQRFAFLHESLVGG-QGZVFWFLSA-N 0 0 380.282 3.719 20 10 GHCDRN C[C@@H](CCC1CC1)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC000769531362 874138281 /nfs/dbraw/zinc/13/82/81/874138281.db2.gz OYRRYIPZFOMTBM-LBPRGKRZSA-N 0 0 392.411 3.679 20 10 GHCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2csc(Cl)n2)cc1 ZINC000769688857 874232275 /nfs/dbraw/zinc/23/22/75/874232275.db2.gz DHGCGOYBQJRTAG-OAHLLOKOSA-N 0 0 379.913 3.684 20 10 GHCDRN Fc1cc(NNC(=S)Nc2ccc3c(c2)OCO3)ccc1Br ZINC000769764167 874264916 /nfs/dbraw/zinc/26/49/16/874264916.db2.gz UZHLSQGJRRUHLX-UHFFFAOYSA-N 0 0 384.230 3.630 20 10 GHCDRN COCCOc1ccc(N2CCN(C(=S)Nc3c(C)cccc3C)CC2)cc1 ZINC001198349023 874345392 /nfs/dbraw/zinc/34/53/92/874345392.db2.gz CANIYAVSUSFIBA-UHFFFAOYSA-N 0 0 399.560 3.848 20 10 GHCDRN Nc1ccc(N(Cc2ccccc2)C(=O)c2cn(Cc3ccccn3)cn2)cc1 ZINC001198375350 874378908 /nfs/dbraw/zinc/37/89/08/874378908.db2.gz SDRBLSLITSVAIN-UHFFFAOYSA-N 0 0 383.455 3.756 20 10 GHCDRN C[C@H]1CCc2c(C(=O)Nc3ccc(NC(=O)Nc4ccc(N)cc4)cc3)n[nH]c21 ZINC001198448884 874434195 /nfs/dbraw/zinc/43/41/95/874434195.db2.gz AMOQBPATVYBTGP-LBPRGKRZSA-N 0 0 390.447 3.938 20 10 GHCDRN S=C(NC1CCCC1)N1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001198543478 874493410 /nfs/dbraw/zinc/49/34/10/874493410.db2.gz HZYBKEUSTQZCNC-UHFFFAOYSA-N 0 0 396.560 3.600 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCCC[C@H]2CCCC[C@H]2O)cc1F ZINC000770397137 874646607 /nfs/dbraw/zinc/64/66/07/874646607.db2.gz URAICSRROSPCBF-YLJYHZDGSA-N 0 0 379.520 3.802 20 10 GHCDRN CCOc1cccc(CNC(=S)Nc2c(F)c(F)c(F)c(F)c2F)n1 ZINC001198937793 874718337 /nfs/dbraw/zinc/71/83/37/874718337.db2.gz AFOMNIQKGDEHGP-UHFFFAOYSA-N 0 0 377.338 3.662 20 10 GHCDRN CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(C)c(O)c1O ZINC000770484955 874727501 /nfs/dbraw/zinc/72/75/01/874727501.db2.gz VVASABQOFLTNDP-UHFFFAOYSA-N 0 0 382.229 3.970 20 10 GHCDRN CN(C)[C@@H](C[NH2+]Cc1cc(Br)cc(F)c1[O-])c1cccc(F)c1 ZINC001198970079 874733619 /nfs/dbraw/zinc/73/36/19/874733619.db2.gz UDMUOYOQSFSMJM-INIZCTEOSA-N 0 0 385.252 3.825 20 10 GHCDRN O=C(NCCc1ccc(O)c(O)c1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000770632652 874785349 /nfs/dbraw/zinc/78/53/49/874785349.db2.gz ZJMHUKWZBBHFPO-UHFFFAOYSA-N 0 0 394.383 3.771 20 10 GHCDRN O=C(NCCc1ccc(O)c(O)c1)c1cc2cc(Br)ccc2o1 ZINC000770629252 874806725 /nfs/dbraw/zinc/80/67/25/874806725.db2.gz HNJPZJAEPGRHMQ-UHFFFAOYSA-N 0 0 376.206 3.579 20 10 GHCDRN Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC001199170345 874836078 /nfs/dbraw/zinc/83/60/78/874836078.db2.gz GGOWEVXGWTVLCD-CYBMUJFWSA-N 0 0 382.689 3.554 20 10 GHCDRN O=C1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CN1c1c(F)cccc1F ZINC000770749247 874864375 /nfs/dbraw/zinc/86/43/75/874864375.db2.gz IYVTYXFBQASWEI-LLVKDONJSA-N 0 0 387.213 3.872 20 10 GHCDRN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000771204545 875084464 /nfs/dbraw/zinc/08/44/64/875084464.db2.gz OHJKQAZDKOXODZ-JTSKRJEESA-N 0 0 379.504 3.820 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000775993985 875085042 /nfs/dbraw/zinc/08/50/42/875085042.db2.gz IHUQEMAIPIQSCK-SFHVURJKSA-N 0 0 399.457 3.834 20 10 GHCDRN Ic1cccnc1NCCCSc1nccs1 ZINC000746459952 875109316 /nfs/dbraw/zinc/10/93/16/875109316.db2.gz BVERYOBZZHKGJQ-UHFFFAOYSA-N 0 0 377.276 3.737 20 10 GHCDRN CC(C)c1nocc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000528861240 875165061 /nfs/dbraw/zinc/16/50/61/875165061.db2.gz JQUMHXGBBCMXCX-OAHLLOKOSA-N 0 0 377.872 3.551 20 10 GHCDRN Cc1cc(C(=O)CN(C)CCc2cnccn2)c(C)n1-c1cc(C)cc(C)c1 ZINC000771461259 875257400 /nfs/dbraw/zinc/25/74/00/875257400.db2.gz PMIFXSIRSBIYRO-UHFFFAOYSA-N 0 0 376.504 3.858 20 10 GHCDRN COc1cccc(CNC(=O)c2cc3ccc(Br)cc3[nH]2)c1O ZINC000105651882 875356035 /nfs/dbraw/zinc/35/60/35/875356035.db2.gz UOPUUJSJQRXDKP-UHFFFAOYSA-N 0 0 375.222 3.575 20 10 GHCDRN COc1cccc(CNC(=O)CSc2nccn2-c2cccc(C)c2C)c1O ZINC000105652000 875356337 /nfs/dbraw/zinc/35/63/37/875356337.db2.gz KLPAORYYUZYMOC-UHFFFAOYSA-N 0 0 397.500 3.612 20 10 GHCDRN C[C@@H](NC(=O)NCCNc1nc2ccccc2s1)c1ccc(N(C)C)cc1 ZINC000776117994 875364358 /nfs/dbraw/zinc/36/43/58/875364358.db2.gz YBPFSRVLTKJDNT-CQSZACIVSA-N 0 0 383.521 3.835 20 10 GHCDRN S=C(NCc1ccc(Br)cn1)Nc1ccc(-n2cccn2)cc1 ZINC001200889806 875385900 /nfs/dbraw/zinc/38/59/00/875385900.db2.gz XQIAZLFYGAKEAM-UHFFFAOYSA-N 0 0 388.294 3.516 20 10 GHCDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000771790552 875461258 /nfs/dbraw/zinc/46/12/58/875461258.db2.gz DILFPZSJYLEFOH-UHFFFAOYSA-N 0 0 382.464 3.572 20 10 GHCDRN Cc1cc(C)c2c(N)c(C(=O)OC[C@H]3CN(c4ccccc4)C(=O)O3)sc2n1 ZINC000771946514 875566679 /nfs/dbraw/zinc/56/66/79/875566679.db2.gz KDGAKBOEKOFFGP-CQSZACIVSA-N 0 0 397.456 3.678 20 10 GHCDRN Cc1ccc(S(=O)(=O)N(c2ccc(N)cc2)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC001201221559 875585551 /nfs/dbraw/zinc/58/55/51/875585551.db2.gz DNHCQZJRXAHQQT-UHFFFAOYSA-N 0 0 399.428 3.718 20 10 GHCDRN CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000776175357 875693140 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ZINC000790281796 879566425 /nfs/dbraw/zinc/56/64/25/879566425.db2.gz BLHBGQSHXCONCZ-UHFFFAOYSA-N 0 0 385.512 3.666 20 10 GHCDRN CN(Cc1cscn1)Cc1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000181069481 879656153 /nfs/dbraw/zinc/65/61/53/879656153.db2.gz UXMSWFYRTHGFIU-SOFGYWHQSA-N 0 0 395.484 3.838 20 10 GHCDRN Cc1cc(C(=O)CN2C[C@@H](C)OC3(CCOCC3)C2)c(C)n1-c1cccc(C)c1 ZINC000790366277 879671100 /nfs/dbraw/zinc/67/11/00/879671100.db2.gz GQDUIOQFNBLRAQ-LJQANCHMSA-N 0 0 396.531 3.855 20 10 GHCDRN CC(=O)NCc1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1 ZINC000854278495 879691775 /nfs/dbraw/zinc/69/17/75/879691775.db2.gz WXONUNLSUYHHHV-UHFFFAOYSA-N 0 0 396.535 3.509 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N3CCCC[C@@H]3c3cccn3C)C2)cc1 ZINC000854300445 879704514 /nfs/dbraw/zinc/70/45/14/879704514.db2.gz STSDURCFKUDTIW-DYESRHJHSA-N 0 0 382.508 3.549 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F ZINC000854374603 879767882 /nfs/dbraw/zinc/76/78/82/879767882.db2.gz VWXJPMDGHCPICY-HOTGVXAUSA-N 0 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880187456 /nfs/dbraw/zinc/18/74/56/880187456.db2.gz SPIHDZZOYOMWIY-GIMINZRKSA-N 0 0 386.467 3.642 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3ccn(C)c3-c3ccccc3)C2)cc1 ZINC000854980701 880194614 /nfs/dbraw/zinc/19/46/14/880194614.db2.gz FQDWPQLFJLTNHF-GOSISDBHSA-N 0 0 389.499 3.957 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)CCC[C@@H](O)c3ccccc3)C2)cc1 ZINC000854981485 880196141 /nfs/dbraw/zinc/19/61/41/880196141.db2.gz UARVYFXTKLGPKQ-XMSQKQJNSA-N 0 0 382.504 3.542 20 10 GHCDRN Cc1ccc2c(c1)N(C(=O)C(=O)N(C)Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000746988515 880267539 /nfs/dbraw/zinc/26/75/39/880267539.db2.gz PRXWILQPQYTNTI-UHFFFAOYSA-N 0 0 391.515 3.533 20 10 GHCDRN CO[C@H](CNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C)[C@@H]1CCOC1 ZINC000855208664 880357932 /nfs/dbraw/zinc/35/79/32/880357932.db2.gz ZGOLDVOGNNHFCO-DNVCBOLYSA-N 0 0 376.884 3.529 20 10 GHCDRN CO[C@@H](CNC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000855212341 880361107 /nfs/dbraw/zinc/36/11/07/880361107.db2.gz WXRCNNNZVZXSBM-KKSFZXQISA-N 0 0 396.491 3.949 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3cc(Cl)c(Cl)nc3C)C2)cc1 ZINC000855225842 880370010 /nfs/dbraw/zinc/37/00/10/880370010.db2.gz MPLAWAHTOSQHLZ-LBPRGKRZSA-N 0 0 380.275 3.714 20 10 GHCDRN C/C=C/COc1cccc(CC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000855225774 880370317 /nfs/dbraw/zinc/37/03/17/880370317.db2.gz MDKHKKLXPPWQCW-RTLBZRNLSA-N 0 0 380.488 3.588 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Cc2cccnc2Br)cc1F ZINC000791361411 880370972 /nfs/dbraw/zinc/37/09/72/880370972.db2.gz SHHUJDCQKHPUMK-UHFFFAOYSA-N 0 0 394.288 3.688 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ccsc3Br)C2)cc1 ZINC000855227779 880371804 /nfs/dbraw/zinc/37/18/04/880371804.db2.gz ZTOKVULZNDJHFL-LLVKDONJSA-N 0 0 381.295 3.528 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3nc(C)oc3-c3ccccc3)C2)cc1 ZINC000855227842 880372051 /nfs/dbraw/zinc/37/20/51/880372051.db2.gz QHNBRBGIAIAPOB-QGZVFWFLSA-N 0 0 377.444 3.667 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3cc(Br)ccc3F)C2)cc1 ZINC000855229240 880374562 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CCCN(Cc1ccccc1O)C(=O)CCc1nc(-c2ccc(OC)cc2)no1 ZINC000299595798 921496632 /nfs/dbraw/zinc/49/66/32/921496632.db2.gz FMJHNJFRILPTRR-UHFFFAOYSA-N 0 0 395.459 3.822 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(C(=O)N(C)C)cc1OCC ZINC000267448529 909505548 /nfs/dbraw/zinc/50/55/48/909505548.db2.gz HOFMBWNAPDKOFD-UHFFFAOYSA-N 0 0 399.491 3.937 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc2ncc(Br)cc2c1 ZINC001179691381 909650066 /nfs/dbraw/zinc/65/00/66/909650066.db2.gz LMOUORJPZHUYJC-ZZXKWVIFSA-N 0 0 399.244 3.738 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000245557399 909739454 /nfs/dbraw/zinc/73/94/54/909739454.db2.gz SKBWCBLRIOSTPZ-RZQQEMMASA-N 0 0 384.476 3.929 20 10 GHCDRN CN(C)c1ccc(/C=C/C(=O)Nc2cn3cc(Br)ccc3n2)cc1 ZINC001180122640 909971465 /nfs/dbraw/zinc/97/14/65/909971465.db2.gz CBLVYUGXZKQLQF-BJMVGYQFSA-N 0 0 385.265 3.815 20 10 GHCDRN CN(C)c1ccc(/C=C/C(=O)Nc2cc(Br)c(F)cc2N)cc1 ZINC001180128124 909974475 /nfs/dbraw/zinc/97/44/75/909974475.db2.gz CNTXIQDOKGLMBW-VMPITWQZSA-N 0 0 378.245 3.888 20 10 GHCDRN CCCn1ccc2cc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)ccc21 ZINC000773845488 910046434 /nfs/dbraw/zinc/04/64/34/910046434.db2.gz HOQZWWFKTKPPGC-MRXNPFEDSA-N 0 0 392.503 3.933 20 10 GHCDRN C[C@@H](NC(=O)C(=O)Nc1cccc(SC(F)F)c1)c1ccc(N(C)C)cc1 ZINC000773854363 910099049 /nfs/dbraw/zinc/09/90/49/910099049.db2.gz BSHPDCXHLSVJAX-GFCCVEGCSA-N 0 0 393.459 3.883 20 10 GHCDRN C[C@H](NC(=O)C(=O)Nc1cccc(-c2nccs2)c1)c1ccc(N(C)C)cc1 ZINC000773855831 910153811 /nfs/dbraw/zinc/15/38/11/910153811.db2.gz HGQKQWGFTVGCLH-AWEZNQCLSA-N 0 0 394.500 3.692 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)COCC(F)(F)C(F)F ZINC001180646056 910282217 /nfs/dbraw/zinc/28/22/17/910282217.db2.gz XZPBNKNAOCDLHJ-OAHLLOKOSA-N 0 0 377.378 3.666 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2Cc1nc(Cl)ccc1Br ZINC001180645541 910282698 /nfs/dbraw/zinc/28/26/98/910282698.db2.gz DAEQNZOPFUNXBC-UHFFFAOYSA-N 0 0 382.689 3.963 20 10 GHCDRN Cc1nc2n(n1)CCN(C(=O)c1ccccc1/N=N/c1ccc(N(C)C)cc1)C2 ZINC000269567344 910307029 /nfs/dbraw/zinc/30/70/29/910307029.db2.gz MROQYGCUPOTGLV-WCWDXBQESA-N 0 0 389.463 3.724 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](CO)c2cc(F)ccc2F)c1 ZINC001180946868 910450601 /nfs/dbraw/zinc/45/06/01/910450601.db2.gz QVBLWIGKBLAIJE-NRFANRHFSA-N 0 0 398.409 3.648 20 10 GHCDRN CC[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])C[C@@H](O)C(F)(F)F ZINC001181072443 910545563 /nfs/dbraw/zinc/54/55/63/910545563.db2.gz HXOMGWMUPIHTRF-SNVBAGLBSA-N 0 0 376.600 3.553 20 10 GHCDRN C[C@H](O)CC(=O)Nc1cc(N)ccc1/N=N/c1ccc(Br)cn1 ZINC001181352981 910721190 /nfs/dbraw/zinc/72/11/90/910721190.db2.gz IYLSFVGPEBJTNN-MUQGCMKUSA-N 0 0 378.230 3.551 20 10 GHCDRN Nc1ccc(NC(=O)Nc2ccc(NC(=O)C(=O)Cc3ccccc3)cc2)cc1 ZINC001181380508 910737073 /nfs/dbraw/zinc/73/70/73/910737073.db2.gz UUYBKEAHNSOUPO-UHFFFAOYSA-N 0 0 388.427 3.663 20 10 GHCDRN COc1cc(O)c(CN[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1OC ZINC001181446459 910768849 /nfs/dbraw/zinc/76/88/49/910768849.db2.gz ZNQFKAOSHKYUSX-GFCCVEGCSA-N 0 0 387.411 3.758 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)[C@H]3C[C@H]3c3c(F)cccc3F)CC2)cc1 ZINC000247093417 910964826 /nfs/dbraw/zinc/96/48/26/910964826.db2.gz DVIVLLBIUAAFNY-MSOLQXFVSA-N 0 0 386.442 3.816 20 10 GHCDRN Cc1ccc(F)c(-n2nc(C(=O)N(C)Cc3ccccc3O)c3c2CCC3)c1 ZINC000817546029 911012399 /nfs/dbraw/zinc/01/23/99/911012399.db2.gz AXYFPMCAFMNDMH-UHFFFAOYSA-N 0 0 379.435 3.786 20 10 GHCDRN COCC1(C(=O)Nc2ccc(N(C)CCN(C)c3ccc(N)cc3)cc2)CCC1 ZINC001181953567 911100288 /nfs/dbraw/zinc/10/02/88/911100288.db2.gz BIZLRSCORFUFKJ-UHFFFAOYSA-N 0 0 396.535 3.597 20 10 GHCDRN O=C(CCc1ccc(O)c(O)c1)N[C@@H](c1ccncc1C(F)(F)F)C1CC1 ZINC001182157597 911213848 /nfs/dbraw/zinc/21/38/48/911213848.db2.gz WSGZIIGOEZBWSU-GOSISDBHSA-N 0 0 380.366 3.712 20 10 GHCDRN C[C@@H](NC(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(N(C)C)cc1 ZINC000773995378 911243332 /nfs/dbraw/zinc/24/33/32/911243332.db2.gz UMXWQLNDNVSTOH-GUDVDZBRSA-N 0 0 395.547 3.853 20 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/nfs/dbraw/zinc/85/04/09/911850409.db2.gz STYIUHUVLLKIGN-OWCLPIDISA-N 0 0 376.497 3.680 20 10 GHCDRN C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cccc(Br)c1[O-] ZINC000093012627 912009848 /nfs/dbraw/zinc/00/98/48/912009848.db2.gz ATHKCSAGSHDHSK-UHFFFAOYSA-N 0 0 385.208 3.503 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CN[C@H](c3nc[nH]n3)c3cccnc3)cc2Cl)C1 ZINC000284865073 912059407 /nfs/dbraw/zinc/05/94/07/912059407.db2.gz ASEUEEWJPXEAQW-YWZLYKJASA-N 0 0 396.926 3.969 20 10 GHCDRN CCn1c(-c2ccccc2F)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000801989896 921728581 /nfs/dbraw/zinc/72/85/81/921728581.db2.gz MWMWKOUSYDZXSH-UHFFFAOYSA-N 0 0 395.482 3.577 20 10 GHCDRN COc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)c(O)c1 ZINC000796350404 914898106 /nfs/dbraw/zinc/89/81/06/914898106.db2.gz MELMJQDGDIVNGN-JKSUJKDBSA-N 0 0 381.350 3.719 20 10 GHCDRN CCOC(=O)[C@H](NCc1cc(Br)cc(C)c1O)c1ccccc1 ZINC000775082306 915004792 /nfs/dbraw/zinc/00/47/92/915004792.db2.gz DRTIMVVGFVDAMA-MRXNPFEDSA-N 0 0 378.266 3.857 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)Cc1n[nH]c2ccc(O)cc21 ZINC001187253573 915163777 /nfs/dbraw/zinc/16/37/77/915163777.db2.gz IORROKLKFGCEFN-OAQYLSRUSA-N 0 0 379.460 3.573 20 10 GHCDRN CN(c1ccc(CNC(=O)N2CCC(F)(F)[C@@H](CO)C2)cc1)C1CCCCC1 ZINC000291425130 915172793 /nfs/dbraw/zinc/17/27/93/915172793.db2.gz XIGSNJILNVXOLO-QGZVFWFLSA-N 0 0 395.494 3.615 20 10 GHCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)CC[C@H]2CCc3ccccc32)c1 ZINC001187325556 915172747 /nfs/dbraw/zinc/17/27/47/915172747.db2.gz QCBPZHGEGVWFLS-GOEBONIOSA-N 0 0 375.490 3.501 20 10 GHCDRN COc1c(F)cc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)cc1F ZINC001187335817 915177872 /nfs/dbraw/zinc/17/78/72/915177872.db2.gz QRGANGQGQQZIJJ-UHFFFAOYSA-N 0 0 397.443 3.813 20 10 GHCDRN CCOCc1nc([C@H](C)NCc2ccc(OCc3ccccc3)cc2O)no1 ZINC000291582148 915260446 /nfs/dbraw/zinc/26/04/46/915260446.db2.gz PADJHMRRWFENIY-HNNXBMFYSA-N 0 0 383.448 3.742 20 10 GHCDRN COC(=O)/C=C\c1ccc(N2Cc3ccccc3N3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001187430642 915285455 /nfs/dbraw/zinc/28/54/55/915285455.db2.gz MRBVESAHZLSDFL-FYGXRCCRSA-N 0 0 393.443 3.770 20 10 GHCDRN C[C@H]1CCCN(C(=O)CN(Cc2cccs2)c2ccc3c(c2)OCCO3)C1 ZINC000096982656 915318888 /nfs/dbraw/zinc/31/88/88/915318888.db2.gz DQWWIAGTYUEVML-INIZCTEOSA-N 0 0 386.517 3.784 20 10 GHCDRN Cc1cc(C(=O)OCc2cc(=O)n3ccsc3n2)c(C)n1-c1ccc(F)cc1 ZINC000005623107 915592309 /nfs/dbraw/zinc/59/23/09/915592309.db2.gz QBXGYGKLBKFPTQ-UHFFFAOYSA-N 0 0 397.431 3.660 20 10 GHCDRN Cc1ccc(NC(=O)N(C)C)c(C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000156341025 916101729 /nfs/dbraw/zinc/10/17/29/916101729.db2.gz CBPGGKGVJSZQKD-UHFFFAOYSA-N 0 0 381.476 3.603 20 10 GHCDRN CCOc1ccc(CCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000098093991 916191281 /nfs/dbraw/zinc/19/12/81/916191281.db2.gz RRXIHUMWAQBCNW-UHFFFAOYSA-N 0 0 396.531 3.543 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(-n2cccc2)cc1 ZINC000098093793 916191356 /nfs/dbraw/zinc/19/13/56/916191356.db2.gz IHXLCGWZFLNVEI-UHFFFAOYSA-N 0 0 389.499 3.616 20 10 GHCDRN Cc1cc(C(=O)N2CCN(c3ccc(OCc4cccnc4)cc3)CC2)c(C)[nH]1 ZINC001188997256 916329688 /nfs/dbraw/zinc/32/96/88/916329688.db2.gz GCUCRYREKCUYIR-UHFFFAOYSA-N 0 0 390.487 3.568 20 10 GHCDRN Cc1cc(Br)cc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC001189404109 916609501 /nfs/dbraw/zinc/60/95/01/916609501.db2.gz RKQCXSITWIAGKF-CYBMUJFWSA-N 0 0 397.338 3.863 20 10 GHCDRN C[C@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000775256306 916638487 /nfs/dbraw/zinc/63/84/87/916638487.db2.gz WJZCTMMEROEDCU-AWEZNQCLSA-N 0 0 398.894 3.676 20 10 GHCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c1[O-] ZINC000775256945 916665805 /nfs/dbraw/zinc/66/58/05/916665805.db2.gz AUJDDROUUFBFLK-CQSZACIVSA-N 0 0 388.895 3.936 20 10 GHCDRN C[C@@H](NCc1nnc(-c2cccc(F)c2)o1)c1ccc(N2CCOCC2)cc1 ZINC000775258985 916687390 /nfs/dbraw/zinc/68/73/90/916687390.db2.gz DDYFPSYZTWHNAF-OAHLLOKOSA-N 0 0 382.439 3.563 20 10 GHCDRN Cc1ccccc1Cc1nc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)no1 ZINC000775260795 916704850 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3.522 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(CCC)on1 ZINC000834518461 1021239816 /nfs/dbraw/zinc/23/98/16/1021239816.db2.gz MDTSAWZVAROCJD-UHFFFAOYSA-N 0 0 387.480 3.629 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)/C=C/c1cccnc1C ZINC000834518389 1021239974 /nfs/dbraw/zinc/23/99/74/1021239974.db2.gz LBAMIRGKUWJUBS-RMKNXTFCSA-N 0 0 395.503 3.792 20 10 GHCDRN Cc1cc(CC(=O)NCc2ncnn2C(C)(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000800291276 1021302277 /nfs/dbraw/zinc/30/22/77/1021302277.db2.gz NHLMRMJJGDZGFV-UHFFFAOYSA-N 0 0 399.926 3.953 20 10 GHCDRN C[C@@H](O)CC(=O)Oc1cc(C[C@@H](C)[C@H](C)Cc2ccc(O)c(O)c2)ccc1O ZINC001228523613 1032969581 /nfs/dbraw/zinc/96/95/81/1032969581.db2.gz VBZBVRPEDNPLJJ-RBSFLKMASA-N 0 0 388.460 3.537 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H](C1CCC1)C1CCCCC1 ZINC000834775557 1021462623 /nfs/dbraw/zinc/46/26/23/1021462623.db2.gz QQLRBYUILNKGSU-JOCHJYFZSA-N 0 0 395.547 3.544 20 10 GHCDRN C[C@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1cc(Br)cc(F)c1[O-] ZINC000834826575 1021521238 /nfs/dbraw/zinc/52/12/38/1021521238.db2.gz FBZPZCGHFVRGIC-HZMBPMFUSA-N 0 0 386.236 3.687 20 10 GHCDRN CC[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1cc(Cl)ccc1O ZINC000834841751 1021540538 /nfs/dbraw/zinc/54/05/38/1021540538.db2.gz ZPLOIUOLSZWPHJ-CQSZACIVSA-N 0 0 385.689 3.711 20 10 GHCDRN C[C@H](CCCO)C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000834871002 1021583078 /nfs/dbraw/zinc/58/30/78/1021583078.db2.gz MHXJVCZTOLAKQV-ZJUUUORDSA-N 0 0 395.135 3.976 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)c1 ZINC000834878168 1021599069 /nfs/dbraw/zinc/59/90/69/1021599069.db2.gz JYBCWUJRWGSCSH-SJCJKPOMSA-N 0 0 397.393 3.972 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cc(Br)cc(Br)c1[O-] ZINC000834907158 1021665798 /nfs/dbraw/zinc/66/57/98/1021665798.db2.gz XIAWFKBZZMZFPC-VYUIOLGVSA-N 0 0 393.119 3.729 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC[C@@]2(CN(Cc3ccc(Cl)cc3O)CCO2)C1 ZINC001140462913 1021753737 /nfs/dbraw/zinc/75/37/37/1021753737.db2.gz NZVZXTOUEUHKHV-HXUWFJFHSA-N 0 0 396.915 3.648 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC[C@]2(CN(Cc3ccc(Cl)cc3O)CCO2)C1 ZINC001140462912 1021754575 /nfs/dbraw/zinc/75/45/75/1021754575.db2.gz NZVZXTOUEUHKHV-FQEVSTJZSA-N 0 0 396.915 3.648 20 10 GHCDRN CCOC[C@H]1CN(Cc2ccc(Cl)cc2O)Cc2cn(CC3CC3)nc21 ZINC001140467119 1021762887 /nfs/dbraw/zinc/76/28/87/1021762887.db2.gz MBWZCLBJVOBSEH-QGZVFWFLSA-N 0 0 375.900 3.788 20 10 GHCDRN COc1ccccc1[C@@H](NC/C=C\c1ccc(N(C)C)cc1)c1noc(C)n1 ZINC000835040589 1021798056 /nfs/dbraw/zinc/79/80/56/1021798056.db2.gz QHYNJCLZPXCWBS-GIWCCYDRSA-N 0 0 378.476 3.845 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)[C@@H]3COC[C@@H]3c3ccccc3)cc2)CC1 ZINC000826861378 1021806643 /nfs/dbraw/zinc/80/66/43/1021806643.db2.gz FKGVKKBFUZABSP-DHIUTWEWSA-N 0 0 378.516 3.969 20 10 GHCDRN Cn1cnc2ccc(C[NH+]3CCN(c4ccc(OC(F)(F)F)cc4)CC3)cc21 ZINC001140742350 1022400925 /nfs/dbraw/zinc/40/09/25/1022400925.db2.gz LIFYLBJGPHIMTL-UHFFFAOYSA-N 0 0 390.409 3.794 20 10 GHCDRN C[C@@H](NC(=O)N[C@H]1CCCOc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000726245076 1022408229 /nfs/dbraw/zinc/40/82/29/1022408229.db2.gz GKJNOUGMBUPRSL-UTKZUKDTSA-N 0 0 395.503 3.797 20 10 GHCDRN Cc1ccc(OC[C@@H](C)NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000726244720 1022408703 /nfs/dbraw/zinc/40/87/03/1022408703.db2.gz FODZCJMWADRQMF-MOPGFXCFSA-N 0 0 397.519 3.659 20 10 GHCDRN Cc1cc(C(=O)N2CCOC[C@@H](C)C2)c(C)n1-c1ccc(Br)cc1 ZINC000754207501 1022536758 /nfs/dbraw/zinc/53/67/58/1022536758.db2.gz GEEWLWWCWSDEAK-ZDUSSCGKSA-N 0 0 391.309 3.965 20 10 GHCDRN CCN(CC)c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC23CC3)c(O)c1 ZINC001140850185 1022695630 /nfs/dbraw/zinc/69/56/30/1022695630.db2.gz GAZVPOQHTYZERE-UHFFFAOYSA-N 0 0 389.540 3.824 20 10 GHCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[C@H]1CCOc2ccccc21 ZINC000754534600 1022757939 /nfs/dbraw/zinc/75/79/39/1022757939.db2.gz AMEDPEZXEZFGNE-IBGZPJMESA-N 0 0 383.403 3.967 20 10 GHCDRN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000754538907 1022759715 /nfs/dbraw/zinc/75/97/15/1022759715.db2.gz FIBXZUXTVVHDIX-NPMABZOXSA-N 0 0 399.402 3.629 20 10 GHCDRN CC(C)n1ncc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1-c1ccccc1 ZINC000754675597 1022825130 /nfs/dbraw/zinc/82/51/30/1022825130.db2.gz ICFVPERUSQPXBL-OAHLLOKOSA-N 0 0 379.460 3.903 20 10 GHCDRN Cc1cc(C)c(O)c(CN2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c1 ZINC000754720091 1022856172 /nfs/dbraw/zinc/85/61/72/1022856172.db2.gz JQPYMLWSQFYZHX-UHFFFAOYSA-N 0 0 376.859 3.760 20 10 GHCDRN Cc1cc(C(=O)OC[C@@H]2CC(=O)N(C3CC3)C2)c(C)n1-c1cccc(Cl)c1 ZINC000754758165 1022881841 /nfs/dbraw/zinc/88/18/41/1022881841.db2.gz OFQDNJQCUCJGJG-OAHLLOKOSA-N 0 0 386.879 3.915 20 10 GHCDRN COC[C@@H]1CN(Cc2ccc(N(C)C)cc2Cl)Cc2nn(CC3CC3)cc21 ZINC001140922083 1022889206 /nfs/dbraw/zinc/88/92/06/1022889206.db2.gz GWVLAQRUOWSLPY-KRWDZBQOSA-N 0 0 388.943 3.758 20 10 GHCDRN CN(C)c1ccc(CN2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)c(Cl)c1 ZINC001140925288 1022902019 /nfs/dbraw/zinc/90/20/19/1022902019.db2.gz QYDQDCHHNONSEV-UHFFFAOYSA-N 0 0 379.932 3.895 20 10 GHCDRN CN(C)c1ccc(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)c(Cl)c1 ZINC001140925280 1022902050 /nfs/dbraw/zinc/90/20/50/1022902050.db2.gz QVANEEOCUPIUSJ-UHFFFAOYSA-N 0 0 399.848 3.537 20 10 GHCDRN CN(C)c1ccc(CN2CC[C@@](F)(CNC(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001140925492 1022902179 /nfs/dbraw/zinc/90/21/79/1022902179.db2.gz BXSHAPVSQLWPSC-LJQANCHMSA-N 0 0 385.911 3.845 20 10 GHCDRN CCC1(CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)COC1 ZINC000836442879 1022976668 /nfs/dbraw/zinc/97/66/68/1022976668.db2.gz BYKGSNYGQGDTDY-HNNXBMFYSA-N 0 0 379.932 3.802 20 10 GHCDRN CCn1nnc2c1CCN(Cc1ccc(C)cc1O)[C@@H]2COCc1ccccc1 ZINC001140952247 1022980486 /nfs/dbraw/zinc/98/04/86/1022980486.db2.gz JYKAQINGZVOPPS-OAQYLSRUSA-N 0 0 392.503 3.628 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NCc3c(F)cc(F)cc3F)CC2)cc1 ZINC000836489559 1023026286 /nfs/dbraw/zinc/02/62/86/1023026286.db2.gz UUNOFHACPFHTGQ-UHFFFAOYSA-N 0 0 393.409 3.534 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)Cc3cccc(F)c3F)cc2F)C[C@H](C)O1 ZINC000755201571 1023122969 /nfs/dbraw/zinc/12/29/69/1023122969.db2.gz XCCLEIBGPRMHSP-OKILXGFUSA-N 0 0 392.421 3.576 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCOc2ccc(Cl)c(F)c2)c1 ZINC000836599355 1023158239 /nfs/dbraw/zinc/15/82/39/1023158239.db2.gz WWHZJVWWFLGZLA-LLVKDONJSA-N 0 0 382.819 3.633 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000755337428 1023203537 /nfs/dbraw/zinc/20/35/37/1023203537.db2.gz NTLHEKNZWDVABI-CVEARBPZSA-N 0 0 377.529 3.698 20 10 GHCDRN Cc1cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cn2ccnc12 ZINC000836691645 1023258813 /nfs/dbraw/zinc/25/88/13/1023258813.db2.gz YCGZIQWDSLCKIB-UHFFFAOYSA-N 0 0 381.505 3.518 20 10 GHCDRN CC(=O)N(c1ccc(NC(=O)NCc2ccc(N(C)C)cc2)cc1)[C@@H]1C[C@@H]1C ZINC000836705952 1023280760 /nfs/dbraw/zinc/28/07/60/1023280760.db2.gz XEWMWVDWCUITKQ-YCRPNKLZSA-N 0 0 380.492 3.836 20 10 GHCDRN CC[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCO1 ZINC000756107867 1023524383 /nfs/dbraw/zinc/52/43/83/1023524383.db2.gz FKHHQMSPKUDFSL-FHLIZLRMSA-N 0 0 397.466 3.514 20 10 GHCDRN Cc1ccnc(COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)n1 ZINC000756147966 1023536180 /nfs/dbraw/zinc/53/61/80/1023536180.db2.gz WLTONRHQYLXDIM-UHFFFAOYSA-N 0 0 392.798 3.571 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCO[C@@H](c3ccnn3C)C2)c(C)n1-c1ccc(F)cc1 ZINC000836975247 1023537358 /nfs/dbraw/zinc/53/73/58/1023537358.db2.gz PLNWXXOGJSPAGZ-LAUBAEHRSA-N 0 0 396.466 3.617 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](c2ccccc2Cl)N(C)C)c1 ZINC000756350979 1023601458 /nfs/dbraw/zinc/60/14/58/1023601458.db2.gz HZVGVAZCXFCZPP-SCLBCKFNSA-N 0 0 376.884 3.786 20 10 GHCDRN C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)c1cc(Br)c(F)cc1[O-] ZINC000756352585 1023602296 /nfs/dbraw/zinc/60/22/96/1023602296.db2.gz VDTWPMKKCQSNBE-QWRGUYRKSA-N 0 0 382.229 3.784 20 10 GHCDRN C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1cc(Br)c(F)cc1[O-] ZINC000756390285 1023625976 /nfs/dbraw/zinc/62/59/76/1023625976.db2.gz GSCIRLAINPURSL-LLVKDONJSA-N 0 0 391.244 3.725 20 10 GHCDRN C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1cc(Br)c(F)cc1[O-] ZINC000756396224 1023627527 /nfs/dbraw/zinc/62/75/27/1023627527.db2.gz IECFHCGWNQUYPX-LLVKDONJSA-N 0 0 397.292 3.505 20 10 GHCDRN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000756436781 1023648890 /nfs/dbraw/zinc/64/88/90/1023648890.db2.gz NJEYZDPUFPFLER-HOTGVXAUSA-N 0 0 389.540 3.793 20 10 GHCDRN C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1cc(Br)cc(Br)c1[O-] ZINC000756447376 1023652383 /nfs/dbraw/zinc/65/23/83/1023652383.db2.gz UZOPLWWVJVIFAH-MWLCHTKSSA-N 0 0 392.135 3.662 20 10 GHCDRN Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])c1 ZINC000756453075 1023658496 /nfs/dbraw/zinc/65/84/96/1023658496.db2.gz CJDNLMIGHKMHPG-OLZOCXBDSA-N 0 0 398.272 3.693 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756507835 1023689188 /nfs/dbraw/zinc/68/91/88/1023689188.db2.gz GDSPDQCAOLWUCI-CABCVRRESA-N 0 0 375.494 3.925 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000756530313 1023700342 /nfs/dbraw/zinc/70/03/42/1023700342.db2.gz XFZBXQMGNNUUAT-HNNXBMFYSA-N 0 0 384.476 3.507 20 10 GHCDRN COc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-])C2 ZINC000756539241 1023704420 /nfs/dbraw/zinc/70/44/20/1023704420.db2.gz KUVYTCLBSGYUPJ-GWCFXTLKSA-N 0 0 396.256 3.957 20 10 GHCDRN CC(=O)N1CCC(C[NH2+][C@H](C)c2cc(Br)cc(Cl)c2[O-])CC1 ZINC000756544737 1023707626 /nfs/dbraw/zinc/70/76/26/1023707626.db2.gz VIHYWHNQGLSWGT-SNVBAGLBSA-N 0 0 389.721 3.717 20 10 GHCDRN C[C@H]([C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-])N1CCOCC1 ZINC000756544750 1023707762 /nfs/dbraw/zinc/70/77/62/1023707762.db2.gz VOHHXCPXTNKJBF-SDDRHHMPSA-N 0 0 391.737 3.568 20 10 GHCDRN C[C@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756553120 1023711504 /nfs/dbraw/zinc/71/15/04/1023711504.db2.gz JPBJUBVDZLXPEB-KBPBESRZSA-N 0 0 379.457 3.598 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCCCN(C(=O)OC(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756570857 1023716263 /nfs/dbraw/zinc/71/62/63/1023716263.db2.gz BTKRGWIWPYOPLQ-KGLIPLIRSA-N 0 0 379.457 3.741 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756570859 1023716350 /nfs/dbraw/zinc/71/63/50/1023716350.db2.gz BTKRGWIWPYOPLQ-UONOGXRCSA-N 0 0 379.457 3.741 20 10 GHCDRN C[C@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756630268 1023745084 /nfs/dbraw/zinc/74/50/84/1023745084.db2.gz SSBTZPDUENNFBE-HNNXBMFYSA-N 0 0 388.458 3.802 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1cc(Br)c(F)cc1[O-] ZINC000756645312 1023752365 /nfs/dbraw/zinc/75/23/65/1023752365.db2.gz IRHMXZCNLMVOAD-QWRGUYRKSA-N 0 0 398.251 3.757 20 10 GHCDRN CN(Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)c1ccc2c(c1)OCO2 ZINC000756653576 1023756459 /nfs/dbraw/zinc/75/64/59/1023756459.db2.gz LWRXHKRYGDGRJO-UHFFFAOYSA-N 0 0 377.322 3.719 20 10 GHCDRN C[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1cc(Br)c(F)cc1[O-] ZINC000756770866 1023809008 /nfs/dbraw/zinc/80/90/08/1023809008.db2.gz YAPNZWDQCGBZEL-ZMZPIMSZSA-N 0 0 380.257 3.778 20 10 GHCDRN C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756865293 1023840279 /nfs/dbraw/zinc/84/02/79/1023840279.db2.gz PTZAVSFYMJKZJE-JDNHERCYSA-N 0 0 384.785 3.919 20 10 GHCDRN C[C@H](Nc1cccc(N2C(=O)CN(C)C2=O)c1)c1cc2c(cc1O)CCCC2 ZINC000756892620 1023849011 /nfs/dbraw/zinc/84/90/11/1023849011.db2.gz JKGGZJIKMDCUJT-AWEZNQCLSA-N 0 0 379.460 3.843 20 10 GHCDRN O=C(CN1CCC(OCCCO)CC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000756907035 1023857208 /nfs/dbraw/zinc/85/72/08/1023857208.db2.gz GDYKQBLKVBEYFV-UHFFFAOYSA-N 0 0 396.491 3.904 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)/C=C/C=C(Cl)Cl)cc2F)C[C@H](C)O1 ZINC001626159262 1023932880 /nfs/dbraw/zinc/93/28/80/1023932880.db2.gz VOIFXJDKHPZBNC-AYKMPCHXSA-N 0 0 387.282 3.931 20 10 GHCDRN O=S(=O)(c1ccc(C2CC2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000830598946 1024009586 /nfs/dbraw/zinc/00/95/86/1024009586.db2.gz BLOXTKZXHIRGQV-LJQANCHMSA-N 0 0 387.501 3.640 20 10 GHCDRN 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CCN(CC)C(=O)CCCNC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001464072412 1064799975 /nfs/dbraw/zinc/79/99/75/1064799975.db2.gz VEZJLSCNJXLZOR-UHFFFAOYSA-N 0 0 397.519 3.593 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2ccc3c(c2)N[C@@H](C)CC(=O)N3)cc1 ZINC001464297332 1064946224 /nfs/dbraw/zinc/94/62/24/1064946224.db2.gz LWODGZGISDWJST-HNNXBMFYSA-N 0 0 380.492 3.605 20 10 GHCDRN CN(c1ccc(CNC(=O)c2ccc3n[nH]c(=S)n3c2)cc1)C1CCCCC1 ZINC001464544480 1065073040 /nfs/dbraw/zinc/07/30/40/1065073040.db2.gz ZJMMWIAHWPRCPQ-UHFFFAOYSA-N 0 0 395.532 3.717 20 10 GHCDRN C[C@@H](O)CN(C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)C1CC1 ZINC000847365140 1065134935 /nfs/dbraw/zinc/13/49/35/1065134935.db2.gz HVXVEPIJGURLEO-LSDHHAIUSA-N 0 0 379.932 3.631 20 10 GHCDRN C/C(=C\c1ccccn1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000847408284 1065235536 /nfs/dbraw/zinc/23/55/36/1065235536.db2.gz VDWQGXPIVAZJAJ-LXKWBGADSA-N 0 0 379.504 3.759 20 10 GHCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2nn(C)cc2Cl)cc1 ZINC001465010619 1065324639 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C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@@H](C4CCC4)C3)cc2F)C[C@@H](C)O1 ZINC001468095550 1067594436 /nfs/dbraw/zinc/59/44/36/1067594436.db2.gz BNPCUXMJRJMDGR-GPMSIDNRSA-N 0 0 389.515 3.771 20 10 GHCDRN CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001477759133 1078556064 /nfs/dbraw/zinc/55/60/64/1078556064.db2.gz ZFRKNPIVOMFKAD-WOJBJXKFSA-N 0 0 381.520 3.842 20 10 GHCDRN CC[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(C)c(F)c1 ZINC001468241414 1067648208 /nfs/dbraw/zinc/64/82/08/1067648208.db2.gz MERUETRHVUKHDR-NRFANRHFSA-N 0 0 385.483 3.921 20 10 GHCDRN COc1cc(CCNC(=O)c2cc3cc(O)c(O)cc3s2)ccc1Cl ZINC001468347991 1067696736 /nfs/dbraw/zinc/69/67/36/1067696736.db2.gz OZVUESKZLCTLIG-UHFFFAOYSA-N 0 0 377.849 3.947 20 10 GHCDRN CSCCCN1C(=O)/C(=C/c2ccc(O[C@@H]3CCOC3)cc2)SC1=S ZINC000849173282 1067752675 /nfs/dbraw/zinc/75/26/75/1067752675.db2.gz FUUCHUFYDARUOR-DFSFMLJYSA-N 0 0 395.571 3.809 20 10 GHCDRN CCOC(=O)Cc1cnc(NCc2cc(OC)cc(C(C)(C)C)c2O)s1 ZINC000849345319 1067813756 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O=C(NCc1cc(Cl)ccc1O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F ZINC000857547820 882329875 /nfs/dbraw/zinc/32/98/75/882329875.db2.gz VECNNHLZDUWDFC-UHFFFAOYSA-N 0 0 399.756 3.593 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1nccn1CC(F)(F)F ZINC000745798477 869824179 /nfs/dbraw/zinc/82/41/79/869824179.db2.gz CWYSIVGCNLHCPG-UHFFFAOYSA-N 0 0 397.445 3.632 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)CCSC ZINC000745833608 869837023 /nfs/dbraw/zinc/83/70/23/869837023.db2.gz YRFYCDJMIOFVAV-NSHDSACASA-N 0 0 375.332 3.828 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](C)Oc1ccc(OC)cc1 ZINC000745898899 869881846 /nfs/dbraw/zinc/88/18/46/869881846.db2.gz BHXHXYLIOQRMAP-QGZVFWFLSA-N 0 0 385.508 3.760 20 10 GHCDRN C[C@@H]1SCCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@H]1C ZINC000745902889 869882236 /nfs/dbraw/zinc/88/22/36/869882236.db2.gz AJAWOIFVUJKLLS-KKUMJFAQSA-N 0 0 399.507 3.792 20 10 GHCDRN CO[C@H](C)CN(C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(C)C ZINC000745903517 869882519 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Cc1nnc(-c2cccc(S(=O)(=O)Nc3cc(C(C)C)c(O)cc3C)c2)o1 ZINC001192266761 870250292 /nfs/dbraw/zinc/25/02/92/870250292.db2.gz WRHRAVGAYNARKT-UHFFFAOYSA-N 0 0 387.461 3.983 20 10 GHCDRN Cc1cc(CCNC(=O)CCNC(=O)OC(C)(C)C)c(C)n1-c1ccccc1 ZINC000746424786 870654307 /nfs/dbraw/zinc/65/43/07/870654307.db2.gz OHJOCCYJXYPCNR-UHFFFAOYSA-N 0 0 385.508 3.668 20 10 GHCDRN O=C(c1ccnc(C2CC2)c1)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001193006846 870818115 /nfs/dbraw/zinc/81/81/15/870818115.db2.gz ANOQBNKYMPCRLD-UHFFFAOYSA-N 0 0 391.393 3.820 20 10 GHCDRN Nc1ccc(NC(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)cc1 ZINC000746478854 870824530 /nfs/dbraw/zinc/82/45/30/870824530.db2.gz AAZJVWPFPLRNEE-QGOAFFKASA-N 0 0 388.456 3.621 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1cccc(OCC)c1 ZINC000793824720 882449912 /nfs/dbraw/zinc/44/99/12/882449912.db2.gz CKYPOGAMJZEKTM-KRWDZBQOSA-N 0 0 398.503 3.797 20 10 GHCDRN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775562404 870875241 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COC(=O)CC[C@@H]1COCCN1C(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195274943 872299779 /nfs/dbraw/zinc/29/97/79/872299779.db2.gz OLTPJDGSAMAZIR-PXFSWQRTSA-N 0 0 397.431 3.602 20 10 GHCDRN O=C(N[C@@H]1C(=O)NCc2ccccc21)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195279839 872304011 /nfs/dbraw/zinc/30/40/11/872304011.db2.gz TXSLAMDVPODWHS-QTJUSOIVSA-N 0 0 386.411 3.909 20 10 GHCDRN COCCn1cncc1CNC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195279062 872304258 /nfs/dbraw/zinc/30/42/58/872304258.db2.gz LXXURIWNDRCLAJ-WCWDXBQESA-N 0 0 379.420 3.581 20 10 GHCDRN COC(=O)c1cncc(CNC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)c1 ZINC001195280227 872305397 /nfs/dbraw/zinc/30/53/97/872305397.db2.gz YFDLPMSYOPMELB-OCOZRVBESA-N 0 0 390.399 3.919 20 10 GHCDRN CCOC(=O)c1cnc(C)c(C(=O)N(C)Cc2ccc(N(CC)CC)cc2)c1 ZINC000767207116 872323853 /nfs/dbraw/zinc/32/38/53/872323853.db2.gz WAEJNKQRRFJNOV-UHFFFAOYSA-N 0 0 383.492 3.685 20 10 GHCDRN Cn1cc(CNC(=O)NCc2ccc(N3CCCC3)cc2)c(-c2ccccc2)n1 ZINC000182448117 872356967 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C[C@@H]([NH2+][C@@H](CCO)C1CCOCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000763558631 872537187 /nfs/dbraw/zinc/53/71/87/872537187.db2.gz SAGHLQWNSIIMAX-BMIGLBTASA-N 0 0 392.721 3.636 20 10 GHCDRN CN(C)S(=O)(=O)c1ccccc1N(c1ccc(N)cc1)c1ccc(N)cc1 ZINC001195688501 872553966 /nfs/dbraw/zinc/55/39/66/872553966.db2.gz BLMSIBKOKROHIC-UHFFFAOYSA-N 0 0 382.489 3.571 20 10 GHCDRN Cc1ccc(-c2ccc(C)cc2C(=O)NCC(=O)c2ccc(O)c(O)c2)cc1 ZINC001195696258 872590285 /nfs/dbraw/zinc/59/02/85/872590285.db2.gz ACIPZLSIDJQTBA-UHFFFAOYSA-N 0 0 375.424 3.994 20 10 GHCDRN COc1ccc(NC(=S)NCc2cccc(NC(=O)OC(C)(C)C)n2)cc1 ZINC001195734137 872591774 /nfs/dbraw/zinc/59/17/74/872591774.db2.gz NSYLRBYXPRPCKP-UHFFFAOYSA-N 0 0 388.493 3.924 20 10 GHCDRN Cc1cc(OCC(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)no1 ZINC000921159084 882640578 /nfs/dbraw/zinc/64/05/78/882640578.db2.gz JLACUCWANKUXIJ-UHFFFAOYSA-N 0 0 394.387 3.959 20 10 GHCDRN Cc1nc(C(C)C)oc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000794237992 882642222 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O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(O)c(F)c1 ZINC000767938817 872972390 /nfs/dbraw/zinc/97/23/90/872972390.db2.gz CWTAOBSQACCQSG-UHFFFAOYSA-N 0 0 380.366 3.532 20 10 GHCDRN Cc1cc(CN2CCn3c(Cc4cccc(F)c4F)nnc3C2)ccc1N(C)C ZINC000857961194 882672129 /nfs/dbraw/zinc/67/21/29/882672129.db2.gz YSEFETUDVUUSNI-UHFFFAOYSA-N 0 0 397.473 3.537 20 10 GHCDRN COC(=O)c1nn(CN(Cc2ccc(N(C)C)cc2)C(C)C)c(C)c1Cl ZINC000921186843 882675449 /nfs/dbraw/zinc/67/54/49/882675449.db2.gz PZGHDXHTWWWDFI-UHFFFAOYSA-N 0 0 378.904 3.566 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)c3cc(Br)cn3C)cc2)CC1 ZINC000742650060 873024069 /nfs/dbraw/zinc/02/40/69/873024069.db2.gz UOSGOQLWJLYSBU-UHFFFAOYSA-N 0 0 390.325 3.954 20 10 GHCDRN COc1cc(Br)cc(CN2CCN(Cc3ccsc3)CC2)c1O ZINC000768207301 873143926 /nfs/dbraw/zinc/14/39/26/873143926.db2.gz BGZQNYGQBDBNAG-UHFFFAOYSA-N 0 0 397.338 3.543 20 10 GHCDRN Cc1c(Br)cccc1S(=O)(=O)Nc1cc(F)c(O)cc1F ZINC001196552372 873206408 /nfs/dbraw/zinc/20/64/08/873206408.db2.gz NBYDLWOBIGXXLV-UHFFFAOYSA-N 0 0 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CCOC(=O)CN(C1CC1)S(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197179212 873616857 /nfs/dbraw/zinc/61/68/57/873616857.db2.gz XONIHEDHMIAMKX-QZQOTICOSA-N 0 0 387.461 3.818 20 10 GHCDRN Cc1ccc(CS(=O)(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1F ZINC000768838533 873619582 /nfs/dbraw/zinc/61/95/82/873619582.db2.gz VKMJJJGPUXPUMP-UHFFFAOYSA-N 0 0 390.524 3.990 20 10 GHCDRN O=S(=O)(NCCN1CCC[C@@H](F)C1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197188339 873621977 /nfs/dbraw/zinc/62/19/77/873621977.db2.gz VOQIDFKMLHXWMQ-PXFSWQRTSA-N 0 0 390.484 3.814 20 10 GHCDRN O=S(=O)(NC1(c2cccnn2)CC1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197188116 873622005 /nfs/dbraw/zinc/62/20/05/873622005.db2.gz RSCOKQQOJCNYNN-QURGRASLSA-N 0 0 379.445 3.860 20 10 GHCDRN COc1ccc(CNC(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)c(O)c1 ZINC000794381269 882742304 /nfs/dbraw/zinc/74/23/04/882742304.db2.gz NWNJFXLWMQYDIF-UHFFFAOYSA-N 0 0 390.411 3.817 20 10 GHCDRN COc1ccc(N2CCN(C(=O)CSc3ccccc3Cl)CC2)cc1 ZINC000003403057 873716764 /nfs/dbraw/zinc/71/67/64/873716764.db2.gz 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CCOC(=O)c1nc(NCc2ccc(N3CCCCC3)cc2)cc(C(C)(C)C)n1 ZINC000804386452 882766595 /nfs/dbraw/zinc/76/65/95/882766595.db2.gz CEMXOWYVNMHFJA-UHFFFAOYSA-N 0 0 396.535 3.975 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(N(C)C)cc2C(N)=O)cc1 ZINC000769184041 873872889 /nfs/dbraw/zinc/87/28/89/873872889.db2.gz GTDDOGTUQNJJRH-UHFFFAOYSA-N 0 0 376.460 3.511 20 10 GHCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)c1ccc(-c2nnco2)cc1 ZINC001197664702 873953722 /nfs/dbraw/zinc/95/37/22/873953722.db2.gz BCUKVLMTGRKZLF-MHWBOGJCSA-N 0 0 385.387 3.704 20 10 GHCDRN Cc1cc(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c(C)n1-c1ccccn1 ZINC000174704058 873956228 /nfs/dbraw/zinc/95/62/28/873956228.db2.gz BURHUZWRPKSKDR-UHFFFAOYSA-N 0 0 386.496 3.522 20 10 GHCDRN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NCc3ccccc3O)c12 ZINC000769361848 874000729 /nfs/dbraw/zinc/00/07/29/874000729.db2.gz AZUUJGZZZMYFGR-UHFFFAOYSA-N 0 0 378.457 3.641 20 10 GHCDRN CN(C)c1c(F)cc(C(=O)NCc2cc(Cl)c3cccnc3c2O)cc1F ZINC001197860060 874082345 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CC[NH+]1CCN(c2cccc([N-]S(=O)(=O)c3ccc(C)cc3Cl)c2)CC1 ZINC000769848917 874324411 /nfs/dbraw/zinc/32/44/11/874324411.db2.gz RMJBSNUXXSJGPL-UHFFFAOYSA-N 0 0 393.940 3.591 20 10 GHCDRN CCSCc1cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)no1 ZINC000769873445 874347144 /nfs/dbraw/zinc/34/71/44/874347144.db2.gz UJLNYEBMHFSYNT-UHFFFAOYSA-N 0 0 392.436 3.955 20 10 GHCDRN O=C(NCc1ccccc1O)c1cncn1Cc1cccc(C(F)(F)F)c1 ZINC001198335059 874359192 /nfs/dbraw/zinc/35/91/92/874359192.db2.gz SSOGFJSLZCHMSO-UHFFFAOYSA-N 0 0 375.350 3.586 20 10 GHCDRN O=C(CCc1cccc2c1OCO2)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000769974532 874382959 /nfs/dbraw/zinc/38/29/59/874382959.db2.gz PMSLVDUKGCDLPP-UHFFFAOYSA-N 0 0 386.411 3.696 20 10 GHCDRN Cc1cc(C(=O)N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1 ZINC000174713118 874481107 /nfs/dbraw/zinc/48/11/07/874481107.db2.gz RMQCLCBBUIRQFS-QGZVFWFLSA-N 0 0 398.507 3.571 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2nc(C(F)(F)F)cn2c1 ZINC000770220295 874530635 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/nfs/dbraw/zinc/62/56/33/877625633.db2.gz ONEGAGKSVUTUBL-UHFFFAOYSA-N 0 0 390.237 3.738 20 10 GHCDRN O=S(=O)(NCc1ccccc1O)c1ccc2cc(Br)ccc2c1 ZINC000772709158 877718769 /nfs/dbraw/zinc/71/87/69/877718769.db2.gz ZGXQJOVVFLSJKS-UHFFFAOYSA-N 0 0 392.274 3.786 20 10 GHCDRN C[C@@H](COc1ccc(F)cc1F)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000746724580 877780462 /nfs/dbraw/zinc/78/04/62/877780462.db2.gz PPSDTTSJOFRCHM-AWEZNQCLSA-N 0 0 389.446 3.614 20 10 GHCDRN O=C(NCCCC1CCCC1)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000788220459 877927137 /nfs/dbraw/zinc/92/71/37/877927137.db2.gz RHQRBLZRVXKSER-UHFFFAOYSA-N 0 0 384.476 3.601 20 10 GHCDRN C[C@H](NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000788241517 877941297 /nfs/dbraw/zinc/94/12/97/877941297.db2.gz FHDYLARTSZIXMD-YWZLYKJASA-N 0 0 399.510 3.973 20 10 GHCDRN Cn1ccnc1[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000285456366 912297656 /nfs/dbraw/zinc/29/76/56/912297656.db2.gz AAEKYXBUJWPMFU-NRFANRHFSA-N 0 0 391.475 3.808 20 10 GHCDRN C[C@@H](NC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000788307359 877985411 /nfs/dbraw/zinc/98/54/11/877985411.db2.gz LEWQTZPKLSUABU-GFCCVEGCSA-N 0 0 395.912 3.692 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NCc1ccc2occc2c1 ZINC000851991408 878019533 /nfs/dbraw/zinc/01/95/33/878019533.db2.gz PCRXPLCRJQTHRQ-UHFFFAOYSA-N 0 0 381.501 3.985 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCC[C@]3(C)CC3(F)F)cc2F)C[C@H](C)O1 ZINC000851991434 878019561 /nfs/dbraw/zinc/01/95/61/878019561.db2.gz PRELCMNMTWTMPH-BIENJYKASA-N 0 0 399.457 3.674 20 10 GHCDRN CC[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1CC1 ZINC000851991706 878020827 /nfs/dbraw/zinc/02/08/27/878020827.db2.gz CZYCDPVDDOOQBX-QGZVFWFLSA-N 0 0 385.430 3.530 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)Nc2ccc3c(c2)N(C)CCO3)C2CC2)cc1 ZINC000746744596 878022703 /nfs/dbraw/zinc/02/27/03/878022703.db2.gz RXARIUYFFIBWEW-UHFFFAOYSA-N 0 0 380.492 3.778 20 10 GHCDRN CCCN(CCC)c1ccc(CNc2ccc3c(c2)CN(CC(N)=O)CC3)cc1 ZINC000788528675 878159995 /nfs/dbraw/zinc/15/99/95/878159995.db2.gz GKPWLFHKNKAFII-UHFFFAOYSA-N 0 0 394.563 3.769 20 10 GHCDRN CCNC(=O)Nc1cccc(NCc2ccc(N3CCOCC3)c(F)c2)c1C ZINC000788529943 878160467 /nfs/dbraw/zinc/16/04/67/878160467.db2.gz QQLMPJPFALZCSI-UHFFFAOYSA-N 0 0 386.471 3.724 20 10 GHCDRN COCCC1(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCCCC1 ZINC000852265147 878185085 /nfs/dbraw/zinc/18/50/85/878185085.db2.gz URRFKEBWDVQNCA-GOSISDBHSA-N 0 0 389.540 3.560 20 10 GHCDRN CSc1ccc([C@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000852304072 878218708 /nfs/dbraw/zinc/21/87/08/878218708.db2.gz GCRCYMVHHNRKRD-INIZCTEOSA-N 0 0 399.560 3.930 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000852354505 878272992 /nfs/dbraw/zinc/27/29/92/878272992.db2.gz FNOUPHQIUHZECC-KESTWPANSA-N 0 0 397.494 3.532 20 10 GHCDRN C[C@H](NC(=O)NCC(F)(F)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000788755524 878289921 /nfs/dbraw/zinc/28/99/21/878289921.db2.gz CMBQFAPUMGDNGS-INIZCTEOSA-N 0 0 389.446 3.675 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N3CCc4ccc(C)cc4C3)C2)cc1 ZINC000852386812 878292989 /nfs/dbraw/zinc/29/29/89/878292989.db2.gz KQIJDRYUJFSEPN-SFHVURJKSA-N 0 0 379.504 3.598 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N(C)C[C@H]3CCc4ccccc43)C2)cc1 ZINC000852386618 878293739 /nfs/dbraw/zinc/29/37/39/878293739.db2.gz IBMMAAHLBQCMSD-AZUAARDMSA-N 0 0 393.531 3.893 20 10 GHCDRN CCNC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1C ZINC000788738400 878311851 /nfs/dbraw/zinc/31/18/51/878311851.db2.gz KJANCRZKVPEMIA-ZDUSSCGKSA-N 0 0 386.452 3.733 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CCCC12CCCCC2 ZINC000852429002 878317854 /nfs/dbraw/zinc/31/78/54/878317854.db2.gz XPAQTQFJWYBMHU-OAQYLSRUSA-N 0 0 385.552 3.950 20 10 GHCDRN COCc1ccc([C@H]2CCCN2C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000852451539 878332439 /nfs/dbraw/zinc/33/24/39/878332439.db2.gz MWSLQOHEAWCMAL-OXJNMPFZSA-N 0 0 399.491 3.560 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@H]3c3cccc(C)n3)C2)cc1 ZINC000852453921 878335531 /nfs/dbraw/zinc/33/55/31/878335531.db2.gz MGZRIFKPIXHAKL-UTKZUKDTSA-N 0 0 380.492 3.524 20 10 GHCDRN COc1ccc([C@H]2CCCN2C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000852454013 878335561 /nfs/dbraw/zinc/33/55/61/878335561.db2.gz NOTIAZTWOXSXFK-XMSQKQJNSA-N 0 0 395.503 3.829 20 10 GHCDRN COc1ccc([C@H](C)N(C)C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000852456155 878336896 /nfs/dbraw/zinc/33/68/96/878336896.db2.gz YDFVLIXWBZGGSX-FUHWJXTLSA-N 0 0 383.492 3.685 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCc1ccc2occc2c1 ZINC000852490725 878373618 /nfs/dbraw/zinc/37/36/18/878373618.db2.gz UDZJXHMWFZBRCR-UHFFFAOYSA-N 0 0 393.487 3.641 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)COc2c(F)cccc2F)c1 ZINC000852537995 878409068 /nfs/dbraw/zinc/40/90/68/878409068.db2.gz DMRJJGSWVIEBTO-NWDGAFQWSA-N 0 0 380.391 3.507 20 10 GHCDRN C[C@H]1CCC[C@H](CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)O1 ZINC000852579403 878437543 /nfs/dbraw/zinc/43/75/43/878437543.db2.gz HQWNBDQQCYXWOZ-KBXCAEBGSA-N 0 0 397.466 3.514 20 10 GHCDRN C[C@@]1([NH3+])CCCN(Cc2cc(Br)cc(Br)c2[O-])CC1 ZINC001205257580 912347568 /nfs/dbraw/zinc/34/75/68/912347568.db2.gz WZHDKIUIXUKENZ-CQSZACIVSA-N 0 0 392.135 3.621 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2c2cccs2)cc1 ZINC000788954621 878463071 /nfs/dbraw/zinc/46/30/71/878463071.db2.gz MWNKFMSRJRTYTI-GOSISDBHSA-N 0 0 385.533 3.574 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H](C)c2ccc(C)cc2C)cc1 ZINC000788963392 878472038 /nfs/dbraw/zinc/47/20/38/878472038.db2.gz IRGUMNDMBZZGND-LJQANCHMSA-N 0 0 395.547 3.985 20 10 GHCDRN C[C@H](OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)c1ccccc1C(F)(F)F ZINC000789073821 878586000 /nfs/dbraw/zinc/58/60/00/878586000.db2.gz UUHUMOIOKQVALG-DJYGCBNOSA-N 0 0 380.318 3.944 20 10 GHCDRN COC(=O)NC1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000852768665 878587129 /nfs/dbraw/zinc/58/71/29/878587129.db2.gz YAHNUVCCBYEUPV-UHFFFAOYSA-N 0 0 395.463 3.861 20 10 GHCDRN COc1ccc(-c2cnc(CN(C)Cc3ccc(N4CCOCC4)cc3)o2)cc1 ZINC000068481136 878613932 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Cc1nc(-c2ccccn2)nc(N(C)Cc2ccc(N3CCOCC3)cc2)c1C ZINC000068661149 878845930 /nfs/dbraw/zinc/84/59/30/878845930.db2.gz UVDXANQKLTYLFX-UHFFFAOYSA-N 0 0 389.503 3.628 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCCN(c3ccccc3)C2)c1 ZINC000789318795 878850885 /nfs/dbraw/zinc/85/08/85/878850885.db2.gz RPFBNHUTVQMLQX-IAGOWNOFSA-N 0 0 383.492 3.678 20 10 GHCDRN Cc1cccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1F ZINC000180441439 878877719 /nfs/dbraw/zinc/87/77/19/878877719.db2.gz YHHBNLMFHHYKEW-UHFFFAOYSA-N 0 0 382.391 3.600 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000853253706 878936798 /nfs/dbraw/zinc/93/67/98/878936798.db2.gz REKBLZSSTUTHEO-HSALFYBXSA-N 0 0 385.552 3.806 20 10 GHCDRN COc1ccc(-c2nc(CN(Cc3ccccc3O)C[C@H]3CCCO3)no2)cc1 ZINC000111232975 878957457 /nfs/dbraw/zinc/95/74/57/878957457.db2.gz QWXIVWWMILXFEX-LJQANCHMSA-N 0 0 395.459 3.632 20 10 GHCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)CC1CCC2(CC1)OCCO2 ZINC001183299283 912406933 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O=C(CCC[NH2+]Cc1cccc(Br)c1[O-])N1CCc2ccccc21 ZINC000111409371 879126562 /nfs/dbraw/zinc/12/65/62/879126562.db2.gz WWGLXOFVZCWFDN-UHFFFAOYSA-N 0 0 389.293 3.614 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CC1(NC(=O)OC(C)(C)C)CCC1 ZINC000746839493 879155994 /nfs/dbraw/zinc/15/59/94/879155994.db2.gz ZOKNAJOLVFXZHZ-UHFFFAOYSA-N 0 0 389.540 3.939 20 10 GHCDRN CS(=O)(=O)Nc1cccc(-c2noc(-c3ccc(-n4cccc4)cc3)n2)c1 ZINC000761518153 879221209 /nfs/dbraw/zinc/22/12/09/879221209.db2.gz YHMCRIHYACVAJR-UHFFFAOYSA-N 0 0 380.429 3.566 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N[C@H]3C[C@@H](O)c4ccccc43)cc2)CC1 ZINC000853704292 879232320 /nfs/dbraw/zinc/23/23/20/879232320.db2.gz FTVSXYQBLWXLMG-FCHUYYIVSA-N 0 0 379.504 3.901 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCc2ccc3c(=O)cc[nH]c3c2)cc1F ZINC000853706872 879232466 /nfs/dbraw/zinc/23/24/66/879232466.db2.gz RSHMASDVDFUUQE-UHFFFAOYSA-N 0 0 396.466 3.513 20 10 GHCDRN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000111534793 879248557 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GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC(C1CCC1)C1CCC1 ZINC000805855238 884148969 /nfs/dbraw/zinc/14/89/69/884148969.db2.gz ILVUJFUDSZGJLA-UHFFFAOYSA-N 0 0 389.515 3.555 20 10 GHCDRN CCc1ccc(-c2noc([C@@H](C)NC(=O)NCc3ccc(N(C)C)cc3)n2)cc1 ZINC000760488894 884157613 /nfs/dbraw/zinc/15/76/13/884157613.db2.gz ZGLIRKRGLQHWKK-OAHLLOKOSA-N 0 0 393.491 3.925 20 10 GHCDRN Cc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2O)cc1OCCC(C)C ZINC000121824831 884192999 /nfs/dbraw/zinc/19/29/99/884192999.db2.gz GDYCMCMGKGCJBP-UHFFFAOYSA-N 0 0 384.476 3.723 20 10 GHCDRN COc1ccc(N2CCN(C(=O)[C@H]3CC[C@@H]3c3ccc(F)cc3)CC2)cc1F ZINC000859965938 884217892 /nfs/dbraw/zinc/21/78/92/884217892.db2.gz KSXQJLKNMZKACQ-MOPGFXCFSA-N 0 0 386.442 3.816 20 10 GHCDRN COc1ccc(CNC(=O)NCC2(OC)CCC(c3ccccc3)CC2)c(O)c1 ZINC000806012815 884269659 /nfs/dbraw/zinc/26/96/59/884269659.db2.gz IDFNZWYFNIVYQJ-UHFFFAOYSA-N 0 0 398.503 3.943 20 10 GHCDRN Cc1cc(C(=O)NCc2nc(C(F)(F)F)cs2)c(C)n1-c1ccccn1 ZINC000153249244 884286582 /nfs/dbraw/zinc/28/65/82/884286582.db2.gz JNTZORKMLLXLRW-UHFFFAOYSA-N 0 0 380.395 3.894 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000860048920 884290919 /nfs/dbraw/zinc/29/09/19/884290919.db2.gz KIPMMLXBCOIKFD-WMZOPIPTSA-N 0 0 394.487 3.726 20 10 GHCDRN Nc1ccc(CCNC(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000841959048 884341453 /nfs/dbraw/zinc/34/14/53/884341453.db2.gz JOWFSPYFVGNVFI-QGZVFWFLSA-N 0 0 382.291 3.541 20 10 GHCDRN Cc1cc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccccn1 ZINC000914613310 884349040 /nfs/dbraw/zinc/34/90/40/884349040.db2.gz NYKRNHVQXXFRRN-FUHWJXTLSA-N 0 0 391.471 3.912 20 10 GHCDRN Cc1cc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c(C)n1-c1ccccn1 ZINC000914613792 884351235 /nfs/dbraw/zinc/35/12/35/884351235.db2.gz KQLVOBXAXXTBKP-URLQWDBASA-N 0 0 383.492 3.587 20 10 GHCDRN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)NCCc1ccc(N)cc1 ZINC000841962020 884374139 /nfs/dbraw/zinc/37/41/39/884374139.db2.gz LEFNJFZOHAZPGS-UHFFFAOYSA-N 0 0 395.482 3.615 20 10 GHCDRN CC[C@@H]([NH2+]C[C@@H](CO)Cc1cc(OC)cc(OC)c1)c1cccc(Cl)c1[O-] ZINC000806141047 884400195 /nfs/dbraw/zinc/40/01/95/884400195.db2.gz FCQUPCDHRQZFPI-MGPUTAFESA-N 0 0 393.911 3.955 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)COc2ccc(C(F)(F)F)cc2)cc1 ZINC001130543562 884461083 /nfs/dbraw/zinc/46/10/83/884461083.db2.gz AICQJFKUSZFWFB-UHFFFAOYSA-N 0 0 396.409 3.688 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H](CO)c1cccnc1)c1cc(Br)cc(Cl)c1[O-] ZINC000806179738 884461268 /nfs/dbraw/zinc/46/12/68/884461268.db2.gz VWRMWFJAWQLQDU-PWSUYJOCSA-N 0 0 385.689 3.630 20 10 GHCDRN O=C(Nc1ncc(C2CCOCC2)s1)c1cc2cc(O)c(O)cc2s1 ZINC000897894430 884502952 /nfs/dbraw/zinc/50/29/52/884502952.db2.gz POJVIYWIXIKWDR-UHFFFAOYSA-N 0 0 376.459 3.915 20 10 GHCDRN CC(C)[C@H](c1ccccc1)N(C)C(=O)C(=O)NCCCSc1nccs1 ZINC000806279168 884533752 /nfs/dbraw/zinc/53/37/52/884533752.db2.gz GTJVWMILSLYDDR-MRXNPFEDSA-N 0 0 391.562 3.597 20 10 GHCDRN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000914689495 884534000 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CCN(CC)c1ccc(CNC(=O)c2ccc3c(c2)NC(=O)C3(C)C)cc1F ZINC000815539481 894006362 /nfs/dbraw/zinc/00/63/62/894006362.db2.gz NKFUHFXEYHWOIY-UHFFFAOYSA-N 0 0 383.467 3.832 20 10 GHCDRN COCCNC(=O)c1cccc(N[C@@H](C)c2cccc(C(F)(F)F)c2O)c1 ZINC000815624549 894055891 /nfs/dbraw/zinc/05/58/91/894055891.db2.gz BNTZPOHQHFCOHO-LBPRGKRZSA-N 0 0 382.382 3.960 20 10 GHCDRN Cc1nc(C(C)C)ccc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000815655541 894098251 /nfs/dbraw/zinc/09/82/51/894098251.db2.gz VRGMWXNFJPXSMS-UHFFFAOYSA-N 0 0 381.520 3.652 20 10 GHCDRN COc1cccc(CNC(=O)C2(Cc3ccccc3Br)CC2)c1O ZINC000815834263 894244040 /nfs/dbraw/zinc/24/40/40/894244040.db2.gz AVYQKEVVZNEUIF-UHFFFAOYSA-N 0 0 390.277 3.802 20 10 GHCDRN O=C(COc1ccc(Cl)c(F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000815860507 894275337 /nfs/dbraw/zinc/27/53/37/894275337.db2.gz ORELPVGGXAYKHB-INIZCTEOSA-N 0 0 393.842 3.771 20 10 GHCDRN COC(=O)c1ccc(C(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)[nH]1 ZINC000815951713 894355801 /nfs/dbraw/zinc/35/58/01/894355801.db2.gz 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ZINC000801546477 921118711 /nfs/dbraw/zinc/11/87/11/921118711.db2.gz PUHKEDLZDSHTRJ-UHFFFAOYSA-N 0 0 379.254 3.698 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(N2CCCCC2)ncn1 ZINC000816825914 895116491 /nfs/dbraw/zinc/11/64/91/895116491.db2.gz QVCHGXJGXLVHAZ-UHFFFAOYSA-N 0 0 393.535 3.729 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000760323198 895187883 /nfs/dbraw/zinc/18/78/83/895187883.db2.gz RFBJQFKLTLABJN-WOJBJXKFSA-N 0 0 386.927 3.651 20 10 GHCDRN CCc1ccc([C@H]2COCCN2C(=O)NCc2ccc(N3CC=CC3)cc2)o1 ZINC000127894055 895188920 /nfs/dbraw/zinc/18/89/20/895188920.db2.gz RKWTVFRSZZQBMQ-HXUWFJFHSA-N 0 0 381.476 3.501 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@]1([C@H]2CCCCO2)CCCO1 ZINC001135746402 895200035 /nfs/dbraw/zinc/20/00/35/895200035.db2.gz QWMDIMWVVXTCIO-FYYLOGMGSA-N 0 0 386.536 3.754 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2cc(C)nc(N3CCCC3)n2)cc1 ZINC000817031975 895275311 /nfs/dbraw/zinc/27/53/11/895275311.db2.gz RPFTYZLMCZLJAE-UHFFFAOYSA-N 0 0 389.503 3.723 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Nc3cccc4oc(C)nc43)CC2)cc1 ZINC000879821848 895319740 /nfs/dbraw/zinc/31/97/40/895319740.db2.gz GIUDSQMVXZKQLC-UHFFFAOYSA-N 0 0 380.448 3.889 20 10 GHCDRN Cc1cc(C(=O)NC2(CCO)CC2)c(C)n1-c1cccc(Br)c1 ZINC000817132441 895348817 /nfs/dbraw/zinc/34/88/17/895348817.db2.gz XGTQJPWNNAMFEA-UHFFFAOYSA-N 0 0 377.282 3.501 20 10 GHCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)N[C@@H]1CCc2nnnn2CC1 ZINC000817295934 895470266 /nfs/dbraw/zinc/47/02/66/895470266.db2.gz FQOOIVNYMDZZPE-OAHLLOKOSA-N 0 0 376.424 3.615 20 10 GHCDRN COc1c([O-])c(C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000774903040 913986587 /nfs/dbraw/zinc/98/65/87/913986587.db2.gz HOPCANNSQDSCBX-GOSISDBHSA-N 0 0 386.448 3.571 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)CCn2sc3ccccc3c2=O)cc1 ZINC001135946592 895740708 /nfs/dbraw/zinc/74/07/08/895740708.db2.gz YMFDDSUMLNFMTD-UHFFFAOYSA-N 0 0 397.544 3.958 20 10 GHCDRN COCc1cc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)ccc1OC ZINC000880668432 895797480 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CC1(C(=O)NCc2cc(Cl)c3cccnc3c2O)CCC2(CC1)OCCO2 ZINC001185699119 914026821 /nfs/dbraw/zinc/02/68/21/914026821.db2.gz SFPPECMXBFLKJH-UHFFFAOYSA-N 0 0 390.867 3.533 20 10 GHCDRN COC(=O)Cc1cccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000187537051 896049887 /nfs/dbraw/zinc/04/98/87/896049887.db2.gz CFYSFKJDCGFWLX-UHFFFAOYSA-N 0 0 380.488 3.665 20 10 GHCDRN Cc1cc(C)c(NC(=O)[C@H](C)n2cc(COc3ccc(N)cc3)nn2)c(C)c1 ZINC000881021643 896072413 /nfs/dbraw/zinc/07/24/13/896072413.db2.gz JIJYAZHFUKUWFB-INIZCTEOSA-N 0 0 379.464 3.564 20 10 GHCDRN CC(C)c1ccccc1NC(=O)[C@@H](C)n1cc(COc2ccc(N)cc2)nn1 ZINC000881110268 896151948 /nfs/dbraw/zinc/15/19/48/896151948.db2.gz WJTGXIIEHWFJJW-OAHLLOKOSA-N 0 0 379.464 3.762 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)Nc2ccc(F)c(C(N)=O)c2)ccc1C ZINC001136139356 896159057 /nfs/dbraw/zinc/15/90/57/896159057.db2.gz CUIGNXVGHIYPGR-UHFFFAOYSA-N 0 0 393.418 3.705 20 10 GHCDRN O=C(NCc1cnn(Cc2ccccc2)c1)NCc1ccc(N2CCCC2)cc1 ZINC000041332524 896209106 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COc1ccc(N2CC[C@H](CN3C(=O)CN([C@@H](C)c4ccccc4)C3=O)C2)cc1 ZINC000819176830 896447723 /nfs/dbraw/zinc/44/77/23/896447723.db2.gz NSHDSDHEHKPJNW-ROUUACIJSA-N 0 0 393.487 3.547 20 10 GHCDRN CCOC(=O)c1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)ccc1O ZINC000819358862 896600631 /nfs/dbraw/zinc/60/06/31/896600631.db2.gz CBZYZFUVNJZFHU-UHFFFAOYSA-N 0 0 379.416 3.624 20 10 GHCDRN Cc1cc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)c(C)n1-c1ccc(F)cc1 ZINC000041779977 896733490 /nfs/dbraw/zinc/73/34/90/896733490.db2.gz VJSZGBDGVFMYRJ-UHFFFAOYSA-N 0 0 379.391 3.816 20 10 GHCDRN Cc1noc(C2CC2)c1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000129669592 896808915 /nfs/dbraw/zinc/80/89/15/896808915.db2.gz DYSPIAQUNZSDFE-AWEZNQCLSA-N 0 0 391.418 3.861 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000819578553 896819799 /nfs/dbraw/zinc/81/97/99/896819799.db2.gz PCHBYWIBGNSTQR-CQSZACIVSA-N 0 0 378.394 3.970 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)COc3cc(C)ccc3Cl)C2)cc1 ZINC000819579391 896821264 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914127839 /nfs/dbraw/zinc/12/78/39/914127839.db2.gz VCGJMPJYJITLQJ-OAHLLOKOSA-N 0 0 388.420 3.869 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)NCc2cccnc2N2CCCC2)C2CC2)cc1 ZINC000820033779 897126719 /nfs/dbraw/zinc/12/67/19/897126719.db2.gz GZNFNAJEFXXRLC-UHFFFAOYSA-N 0 0 393.535 3.622 20 10 GHCDRN COc1ccccc1[C@H](CO)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000883004703 897200367 /nfs/dbraw/zinc/20/03/67/897200367.db2.gz SFUOCIQJCYLXQT-AWEZNQCLSA-N 0 0 386.673 3.640 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000820173889 897214628 /nfs/dbraw/zinc/21/46/28/897214628.db2.gz DROAXRCIVYVLDM-IBGZPJMESA-N 0 0 398.532 3.523 20 10 GHCDRN CCc1ccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c(O)c1 ZINC001136311678 897217900 /nfs/dbraw/zinc/21/79/00/897217900.db2.gz ZBXWAHRLQOFGBH-GASCZTMLSA-N 0 0 386.467 3.637 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CC3(CCOCC3)Oc3ccccc32)cc1 ZINC000883077725 897257274 /nfs/dbraw/zinc/25/72/74/897257274.db2.gz UFFUZUZYIOWJCC-HXUWFJFHSA-N 0 0 395.503 3.625 20 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/nfs/dbraw/zinc/52/52/31/897525231.db2.gz PFOVKHLWGXPNAF-UHFFFAOYSA-N 0 0 381.520 3.801 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1cnccc1C ZINC000820904896 897589416 /nfs/dbraw/zinc/58/94/16/897589416.db2.gz SJQQBDYQBUTSJL-UHFFFAOYSA-N 0 0 392.297 3.632 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)CN(Cc2cccs2)CC(F)(F)F)cc1 ZINC000132232516 897728717 /nfs/dbraw/zinc/72/87/17/897728717.db2.gz KVYPXEINKAGAMW-UHFFFAOYSA-N 0 0 399.482 3.837 20 10 GHCDRN O=C(c1cc(-c2cccc(O)c2)on1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000821195180 897755954 /nfs/dbraw/zinc/75/59/54/897755954.db2.gz NVGUNQDESGBELJ-SFHVURJKSA-N 0 0 394.427 3.574 20 10 GHCDRN O=C(NC[C@H]1CSCCS1)N(Cc1ccco1)Cc1ccccc1O ZINC000132404076 897780728 /nfs/dbraw/zinc/78/07/28/897780728.db2.gz DOPZSACKJJXUBH-INIZCTEOSA-N 0 0 378.519 3.546 20 10 GHCDRN CCC[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 ZINC000303019566 914202733 /nfs/dbraw/zinc/20/27/33/914202733.db2.gz QTTVBZSXCGAUQE-HXUWFJFHSA-N 0 0 384.495 3.987 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCc2csc(C(C)(C)C)n2)c1 ZINC000133162409 898187156 /nfs/dbraw/zinc/18/71/56/898187156.db2.gz BVDVNUADFBLGSU-GFCCVEGCSA-N 0 0 377.510 3.758 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccc(C(F)(F)F)nc3)C2)cc1 ZINC000822244787 898265946 /nfs/dbraw/zinc/26/59/46/898265946.db2.gz OEQPNWCMBNLSAS-CYBMUJFWSA-N 0 0 380.370 3.509 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3csc(-c4ccccn4)n3)C2)cc1 ZINC000822429036 898364818 /nfs/dbraw/zinc/36/48/18/898364818.db2.gz UOKPODDEMXLJAT-CQSZACIVSA-N 0 0 395.488 3.614 20 10 GHCDRN CC(=O)Nc1ccccc1C(F)(F)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000822495916 898429670 /nfs/dbraw/zinc/42/96/70/898429670.db2.gz TUOQKUDARCRHAG-UHFFFAOYSA-N 0 0 387.430 3.653 20 10 GHCDRN CCOC(=O)CN(Cc1c(C2CC2)nc2sccn12)Cc1ccccc1O ZINC000822511327 898443041 /nfs/dbraw/zinc/44/30/41/898443041.db2.gz CWXMQBAQPAXMGB-UHFFFAOYSA-N 0 0 385.489 3.544 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N[C@H](C)CCc3ccccc3)C2)cc1 ZINC000822564892 898480146 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O=C(Nc1cccc(N2CCOCC2)c1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000822660791 898539325 /nfs/dbraw/zinc/53/93/25/898539325.db2.gz ZAWHUMSEJRCMAN-UHFFFAOYSA-N 0 0 395.337 3.703 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[C@@H]1CC(=O)Nc2ccccc21 ZINC000822833444 898661318 /nfs/dbraw/zinc/66/13/18/898661318.db2.gz PSNWAHLCFXZANF-FUHWJXTLSA-N 0 0 379.504 3.624 20 10 GHCDRN Cc1cccc([C@H](C)CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000155417957 898752073 /nfs/dbraw/zinc/75/20/73/898752073.db2.gz PIXCDSWCAZWTRM-LJQANCHMSA-N 0 0 395.547 3.807 20 10 GHCDRN CCC[C@H](C)[C@H]1CCCN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000133631081 898775727 /nfs/dbraw/zinc/77/57/27/898775727.db2.gz CPYJXXOBKXCKPE-OXJNMPFZSA-N 0 0 391.531 3.897 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3c4ccccc4C[C@@H]3C)C2)cc1 ZINC000823037049 898804382 /nfs/dbraw/zinc/80/43/82/898804382.db2.gz NPSJOTGWZRTIND-GSHUGGBRSA-N 0 0 379.504 3.754 20 10 GHCDRN COC(=O)Nc1cccc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1C ZINC000823182856 898874207 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CC(C)[C@@H]1N(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC12CCCC2 ZINC000823523908 899071250 /nfs/dbraw/zinc/07/12/50/899071250.db2.gz MASIYCVBIINFMO-NRFANRHFSA-N 0 0 385.552 3.758 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCC[C@H](c2ccccc2)C1 ZINC000823523644 899072573 /nfs/dbraw/zinc/07/25/73/899072573.db2.gz HXXZTORFUKHWAM-NRFANRHFSA-N 0 0 393.531 3.737 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCC(c2ccsc2)CC1 ZINC000823536322 899076870 /nfs/dbraw/zinc/07/68/70/899076870.db2.gz AOJRWGLMDHOJFB-UHFFFAOYSA-N 0 0 399.560 3.798 20 10 GHCDRN Cc1ccccc1C[C@@H](C)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823538485 899078101 /nfs/dbraw/zinc/07/81/01/899078101.db2.gz YHHNRAKWJXNGHB-LJQANCHMSA-N 0 0 395.547 3.729 20 10 GHCDRN CN(C)c1cccc(CN(C)C(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000133837050 899081708 /nfs/dbraw/zinc/08/17/08/899081708.db2.gz CXKQXMOVRBXMJO-UHFFFAOYSA-N 0 0 398.576 3.647 20 10 GHCDRN CCO[C@H](CNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1 ZINC000823508983 899084141 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CC[C@H](CNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)CC(F)(F)F ZINC000823693724 899191641 /nfs/dbraw/zinc/19/16/41/899191641.db2.gz QEZIIYWMJQKZLI-GJZGRUSLSA-N 0 0 387.446 3.799 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N(C)CCOc3ccccc3C)C2)cc1 ZINC000823718980 899219078 /nfs/dbraw/zinc/21/90/78/899219078.db2.gz HERLADJQKXSEQR-LJQANCHMSA-N 0 0 397.519 3.550 20 10 GHCDRN CC[C@@H](NC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)c1nc(C)cs1 ZINC000823726681 899223870 /nfs/dbraw/zinc/22/38/70/899223870.db2.gz WSQLHNYVIDFNHG-MAUKXSAKSA-N 0 0 388.537 3.737 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@@H](c4ccccc4F)C3)C2)cc1 ZINC000823725389 899223920 /nfs/dbraw/zinc/22/39/20/899223920.db2.gz BQVDZZAIUVWFTL-QZTJIDSGSA-N 0 0 397.494 3.860 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N(C)Cc3cc(C)ccc3C)C2)cc1 ZINC000823726157 899224766 /nfs/dbraw/zinc/22/47/66/899224766.db2.gz OOWZPZPUMODVFD-LJQANCHMSA-N 0 0 381.520 3.980 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@@H](c4ccc(F)cc4)C3)C2)cc1 ZINC000823726844 899226154 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GHCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000156177730 899484954 /nfs/dbraw/zinc/48/49/54/899484954.db2.gz WXOCQHJQXJTPTM-QGZVFWFLSA-N 0 0 377.400 3.670 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)Nc3c4c(ccc3OC)CCC4)C2)cc1 ZINC000824303073 899513205 /nfs/dbraw/zinc/51/32/05/899513205.db2.gz KQMSCNYEFHPOHK-INIZCTEOSA-N 0 0 395.503 3.841 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)Nc3cc(C)cc(OC)c3C)C2)cc1 ZINC000824308092 899516805 /nfs/dbraw/zinc/51/68/05/899516805.db2.gz IZXVQOHTQFNABG-QGZVFWFLSA-N 0 0 383.492 3.969 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)Nc3ccc([C@H]4CCOC4)cc3)C2)cc1 ZINC000824360632 899555059 /nfs/dbraw/zinc/55/50/59/899555059.db2.gz RVBKUZKBVXUUFT-HKUYNNGSSA-N 0 0 395.503 3.847 20 10 GHCDRN COc1ccc(OCCNC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cc1 ZINC000303141437 914358974 /nfs/dbraw/zinc/35/89/74/914358974.db2.gz CYSJNHIVRCCBGI-UHFFFAOYSA-N 0 0 389.455 3.783 20 10 GHCDRN CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000824636230 899730450 /nfs/dbraw/zinc/73/04/50/899730450.db2.gz MRACAGXQKVWGFM-RNCFNFMXSA-N 0 0 393.119 3.510 20 10 GHCDRN CC1(C)OCC[C@@H]1[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000824625065 899746245 /nfs/dbraw/zinc/74/62/45/899746245.db2.gz DWOCLYIBXOTCHQ-NSHDSACASA-N 0 0 379.092 3.574 20 10 GHCDRN CN1CCCc2cc(CNC(=O)c3c(C(F)(F)F)nc4n3CCCC4)ccc21 ZINC000824676802 899760729 /nfs/dbraw/zinc/76/07/29/899760729.db2.gz QSWYEYLLWDCSGK-UHFFFAOYSA-N 0 0 392.425 3.551 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)NC(C)(C)c3ncc(C)s3)C2)cc1 ZINC000824686429 899765377 /nfs/dbraw/zinc/76/53/77/899765377.db2.gz LOVYFNVWCPAVAL-HNNXBMFYSA-N 0 0 388.537 3.521 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N3CC[C@@H](C(F)(F)F)C3(C)C)C2)cc1 ZINC000824685313 899765657 /nfs/dbraw/zinc/76/56/57/899765657.db2.gz DCQJCMKHIUDLIX-WMLDXEAASA-N 0 0 399.457 3.894 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)NC(C)(C)c3nc(C)cs3)C2)cc1 ZINC000824693671 899770331 /nfs/dbraw/zinc/77/03/31/899770331.db2.gz MOFUXOXGXIKGMN-HNNXBMFYSA-N 0 0 388.537 3.521 20 10 GHCDRN C[C@H](CC(C)(C)O)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000824696269 899771494 /nfs/dbraw/zinc/77/14/94/899771494.db2.gz JMJSECMYAXAKSQ-MRVPVSSYSA-N 0 0 381.108 3.556 20 10 GHCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCCc2cccnc2)cc1 ZINC000824776606 899800730 /nfs/dbraw/zinc/80/07/30/899800730.db2.gz IQCSOTIMHAEOII-JOCHJYFZSA-N 0 0 381.520 3.678 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(C(F)F)nc1 ZINC000824817977 899824704 /nfs/dbraw/zinc/82/47/04/899824704.db2.gz DZWQDAHBYFCADK-UHFFFAOYSA-N 0 0 390.434 3.550 20 10 GHCDRN COc1cc(CN2CCOC[C@H]2C[C@@H](O)c2ccco2)c(O)c(C(C)(C)C)c1 ZINC000824934109 899895514 /nfs/dbraw/zinc/89/55/14/899895514.db2.gz PUERMCOUKLBOBX-VQIMIIECSA-N 0 0 389.492 3.616 20 10 GHCDRN Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000825124183 899993868 /nfs/dbraw/zinc/99/38/68/899993868.db2.gz JSNZQHKOPFLFGE-APWZRJJASA-N 0 0 381.394 3.716 20 10 GHCDRN CO[C@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CCCC1 ZINC000825430198 900139328 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CCN(C[C@@H](C)OC)C(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C ZINC000843891155 900294300 /nfs/dbraw/zinc/29/43/00/900294300.db2.gz QKHROQQWSBLMFQ-CYBMUJFWSA-N 0 0 394.313 3.749 20 10 GHCDRN CCc1noc([C@@H]2CC[C@@H](NC(=O)c3cc(C)n(-c4ccccn4)c3C)C2)n1 ZINC000885182438 900416545 /nfs/dbraw/zinc/41/65/45/900416545.db2.gz VLDGVYZSTDQWJR-HZPDHXFCSA-N 0 0 379.464 3.501 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000157441876 900531852 /nfs/dbraw/zinc/53/18/52/900531852.db2.gz GBZBORYPQDGACU-UHFFFAOYSA-N 0 0 390.270 3.625 20 10 GHCDRN CC(C)NC(=O)Nc1ccc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000046997621 900750357 /nfs/dbraw/zinc/75/03/57/900750357.db2.gz MUPHJDXIVZDIFN-UHFFFAOYSA-N 0 0 397.523 3.624 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)CCCOc1ccc2c(c1)CCC(=O)N2 ZINC000136976519 900773587 /nfs/dbraw/zinc/77/35/87/900773587.db2.gz MBODEKBMBSUVKJ-UHFFFAOYSA-N 0 0 396.487 3.875 20 10 GHCDRN Cc1cc(C(=O)CN2CCC([C@H](C)CO)CC2)c(C)n1-c1ccc(Cl)cn1 ZINC000844414373 900819666 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C[C@H](NC(=O)NCCCSc1nccs1)c1noc(-c2ccccc2)n1 ZINC000137889219 900986603 /nfs/dbraw/zinc/98/66/03/900986603.db2.gz PNOGIPLEMFCFRE-LBPRGKRZSA-N 0 0 389.506 3.736 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=S)NCCSc2ccccc2)cc1 ZINC000844582038 901031857 /nfs/dbraw/zinc/03/18/57/901031857.db2.gz CWVDCSKIXPWETQ-UHFFFAOYSA-N 0 0 389.590 3.730 20 10 GHCDRN CC(C)[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1nc(C2CC2)no1 ZINC000069773229 901126612 /nfs/dbraw/zinc/12/66/12/901126612.db2.gz AURYYRPBUAFDEF-SFHVURJKSA-N 0 0 383.496 3.744 20 10 GHCDRN C[C@@H]([NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1c([O-])cccc1F ZINC000886612275 901190751 /nfs/dbraw/zinc/19/07/51/901190751.db2.gz HPURXPNQIOGJEI-CQSZACIVSA-N 0 0 397.450 3.751 20 10 GHCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCC[C@@H]1CC1(Cl)Cl ZINC000844742098 901220567 /nfs/dbraw/zinc/22/05/67/901220567.db2.gz MICBJMMCSAGIJM-LLVKDONJSA-N 0 0 391.682 3.784 20 10 GHCDRN COC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-])[C@H]1CCCOC1 ZINC000886788919 901274915 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Cc1cc(CCNC(=O)N2CCc3cc[nH]c(=O)c3C2)c(C)n1-c1ccccc1 ZINC000755548472 1023290555 /nfs/dbraw/zinc/29/05/55/1023290555.db2.gz FYZLZHAQXGOWHI-UHFFFAOYSA-N 0 0 390.487 3.505 20 10 GHCDRN COC(=O)c1cc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cc(F)c1F ZINC000755985254 1023466517 /nfs/dbraw/zinc/46/65/17/1023466517.db2.gz NLBJYJNSAGEKTA-UHFFFAOYSA-N 0 0 399.415 3.690 20 10 GHCDRN CC[C@@H](CCO)CNC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000756033013 1023487858 /nfs/dbraw/zinc/48/78/58/1023487858.db2.gz ZTMUNBNBAVFVAJ-HNNXBMFYSA-N 0 0 393.325 3.995 20 10 GHCDRN O=C1[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCN1c1c(F)cccc1F ZINC000756151153 1023538719 /nfs/dbraw/zinc/53/87/19/1023538719.db2.gz QPXUVWOFVWTBGZ-AWEZNQCLSA-N 0 0 387.213 3.872 20 10 GHCDRN C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1cc(Br)c(F)cc1[O-] ZINC000756352587 1023602370 /nfs/dbraw/zinc/60/23/70/1023602370.db2.gz VDTWPMKKCQSNBE-WDEREUQCSA-N 0 0 382.229 3.784 20 10 GHCDRN CC[C@@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccn(C)n1 ZINC000756428172 1023643248 /nfs/dbraw/zinc/64/32/48/1023643248.db2.gz CHOMWUSJZMPGAQ-QGZVFWFLSA-N 0 0 382.430 3.516 20 10 GHCDRN CCNC(=O)c1cccc(C[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])c1 ZINC000756476167 1023673977 /nfs/dbraw/zinc/67/39/77/1023673977.db2.gz NPYTVYGNCOEHMO-LLVKDONJSA-N 0 0 395.272 3.894 20 10 GHCDRN C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756476252 1023674363 /nfs/dbraw/zinc/67/43/63/1023674363.db2.gz REULGDPQLHEPLD-STQMWFEESA-N 0 0 377.391 3.756 20 10 GHCDRN C[C@@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756507839 1023689568 /nfs/dbraw/zinc/68/95/68/1023689568.db2.gz GDSPDQCAOLWUCI-HUUCEWRRSA-N 0 0 375.494 3.925 20 10 GHCDRN CO[C@@H](C)CC[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000756528636 1023700283 /nfs/dbraw/zinc/70/02/83/1023700283.db2.gz OFMCKUHQYSAVQC-IUCAKERBSA-N 0 0 381.108 3.993 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000756563803 1023714914 /nfs/dbraw/zinc/71/49/14/1023714914.db2.gz NGMWRGCHJMLJEC-BMLIUANNSA-N 0 0 384.259 3.870 20 10 GHCDRN C[C@H]([NH2+]CCN1CCSCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756575668 1023718555 /nfs/dbraw/zinc/71/85/55/1023718555.db2.gz JNURBKRANJWCKX-JTQLQIEISA-N 0 0 379.751 3.508 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cc(Br)cc(F)c1[O-] ZINC000756582353 1023720535 /nfs/dbraw/zinc/72/05/35/1023720535.db2.gz HORGAOJNCLBCTO-DMDPSCGWSA-N 0 0 387.293 3.591 20 10 GHCDRN C[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1cc(Br)c(F)cc1[O-] ZINC000756591116 1023725367 /nfs/dbraw/zinc/72/53/67/1023725367.db2.gz PUMZEYVTWXAGFU-LLVKDONJSA-N 0 0 391.244 3.725 20 10 GHCDRN C[C@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756601812 1023731641 /nfs/dbraw/zinc/73/16/41/1023731641.db2.gz BDXSCWIPZXREOK-XOBRGWDASA-N 0 0 395.330 3.987 20 10 GHCDRN C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756610239 1023737359 /nfs/dbraw/zinc/73/73/59/1023737359.db2.gz TYKOUEMUWKWQPB-CVEARBPZSA-N 0 0 375.463 3.532 20 10 GHCDRN COC1CCN(CC[NH2+][C@H](C)c2cc(Br)cc(Cl)c2[O-])CC1 ZINC000756641487 1023750252 /nfs/dbraw/zinc/75/02/52/1023750252.db2.gz IKWMUNHAEKAGCV-LLVKDONJSA-N 0 0 391.737 3.570 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1cc(Br)cc(Cl)c1[O-] ZINC000756662229 1023760985 /nfs/dbraw/zinc/76/09/85/1023760985.db2.gz ZAESFPLTCDOMJG-MNOVXSKESA-N 0 0 388.689 3.903 20 10 GHCDRN CC(C)C(=O)NCCC[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756774393 1023810629 /nfs/dbraw/zinc/81/06/29/1023810629.db2.gz COTFGUBJHKJNIB-SNVBAGLBSA-N 0 0 377.710 3.621 20 10 GHCDRN C[C@@H]([NH2+][C@H](C)C(C)(C)O)c1cc(Br)cc(Br)c1[O-] ZINC000756818171 1023825721 /nfs/dbraw/zinc/82/57/21/1023825721.db2.gz LNZBUQUSEGNWHV-HTQZYQBOSA-N 0 0 381.108 3.727 20 10 GHCDRN C[C@@H](Nc1cccc(N2CCNC2=O)c1)c1cc(Br)cc(F)c1O ZINC000756818782 1023826718 /nfs/dbraw/zinc/82/67/18/1023826718.db2.gz HOSJQHNHAXMDMX-SNVBAGLBSA-N 0 0 394.244 3.997 20 10 GHCDRN C[C@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1cc(Br)cc(F)c1O ZINC000756831964 1023828139 /nfs/dbraw/zinc/82/81/39/1023828139.db2.gz QNNMYXVSVVCEJF-VIFPVBQESA-N 0 0 394.244 3.657 20 10 GHCDRN C[C@@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1cc(Br)ccc1O ZINC000756832793 1023828759 /nfs/dbraw/zinc/82/87/59/1023828759.db2.gz SYGNVRLMDRSKFB-SNVBAGLBSA-N 0 0 376.254 3.518 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(F)(F)c1nccs1 ZINC000756861112 1023838706 /nfs/dbraw/zinc/83/87/06/1023838706.db2.gz LDVRPUCMNRICOJ-UHFFFAOYSA-N 0 0 391.237 3.752 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756967241 1023890772 /nfs/dbraw/zinc/89/07/72/1023890772.db2.gz LAEMSWNMQBSAGG-UHFFFAOYSA-N 0 0 376.844 3.622 20 10 GHCDRN CS[C@@H](C)CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000757035109 1023914792 /nfs/dbraw/zinc/91/47/92/1023914792.db2.gz LJIBFLPSVYDFFY-YOEHRIQHSA-N 0 0 395.569 3.576 20 10 GHCDRN CC(C)(C)OC(=O)N1C[C@H]2c3ccccc3CN(Cc3cc(O)ccc3O)[C@H]2C1 ZINC001141156459 1023982002 /nfs/dbraw/zinc/98/20/02/1023982002.db2.gz LATKNGWMIUZMRW-PMACEKPBSA-N 0 0 396.487 3.817 20 10 GHCDRN Cc1cc(C)c(CNC(=O)c2cnc3cc(Br)cnc3c2)c(O)c1 ZINC001156687953 1033184995 /nfs/dbraw/zinc/18/49/95/1033184995.db2.gz UTHXDNBYDOHCAT-UHFFFAOYSA-N 0 0 386.249 3.645 20 10 GHCDRN CC(C)(C)OC(=O)NC1([C@@H]2C[N@H+](Cc3cccc(F)c3[O-])C[C@@H]2CF)CC1 ZINC001138123730 1024166971 /nfs/dbraw/zinc/16/69/71/1024166971.db2.gz JCMVGQNAUQPTAO-LSDHHAIUSA-N 0 0 382.451 3.606 20 10 GHCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 ZINC001138125264 1024169633 /nfs/dbraw/zinc/16/96/33/1024169633.db2.gz MPDUAWFWBPAMFD-LJQANCHMSA-N 0 0 377.410 3.664 20 10 GHCDRN Oc1c(F)cccc1CN1Cc2c(cnn2CC2CC2)[C@@H](COCC2CC2)C1 ZINC001138126874 1024171686 /nfs/dbraw/zinc/17/16/86/1024171686.db2.gz KVEMBKQEFINMHP-GOSISDBHSA-N 0 0 385.483 3.664 20 10 GHCDRN CC(C)(C)OC(=O)c1ccc(N2CC[NH+](Cc3cccc(F)c3[O-])CC2)cc1 ZINC001138129563 1024179054 /nfs/dbraw/zinc/17/90/54/1024179054.db2.gz KKXVUWIJYCOUCU-UHFFFAOYSA-N 0 0 386.467 3.809 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCO[C@@H](c2nccn2C)C1 ZINC000837177322 1024191656 /nfs/dbraw/zinc/19/16/56/1024191656.db2.gz KYTOHOQINIOBQN-DOTOQJQBSA-N 0 0 384.505 3.539 20 10 GHCDRN COC(=O)[C@H]1[C@H](c2ccccc2)OCCN1Cc1ccc(N2CCCCC2)cc1 ZINC001138222353 1024399206 /nfs/dbraw/zinc/39/92/06/1024399206.db2.gz SZVJPZRIFBTCRE-PKTZIBPZSA-N 0 0 394.515 3.792 20 10 GHCDRN Cc1cc(C(=O)COC(=O)CCc2c(C)noc2C)c(C)n1-c1ccc(F)cn1 ZINC000837385428 1024407800 /nfs/dbraw/zinc/40/78/00/1024407800.db2.gz YIPZIGBOEKGEAB-UHFFFAOYSA-N 0 0 399.422 3.592 20 10 GHCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC001138274766 1024523439 /nfs/dbraw/zinc/52/34/39/1024523439.db2.gz POWXPXSZPUSFGI-UHFFFAOYSA-N 0 0 375.396 3.905 20 10 GHCDRN CCOc1ccc(CN2CCN(C/C=C\c3ccc(N(C)C)cc3)CC2)cc1 ZINC001205032160 1033219454 /nfs/dbraw/zinc/21/94/54/1033219454.db2.gz APNJKATZUFFSQX-WAYWQWQTSA-N 0 0 379.548 3.982 20 10 GHCDRN Cc1[nH]c2ccc(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)cc2c1C ZINC000837703747 1024647694 /nfs/dbraw/zinc/64/76/94/1024647694.db2.gz FWUDXVLNDNLUMJ-UHFFFAOYSA-N 0 0 399.441 3.830 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2cc(C3CC3)no2)c(C)n1-c1ccc(F)cn1 ZINC000837705333 1024649116 /nfs/dbraw/zinc/64/91/16/1024649116.db2.gz KLCCJVNSYHNXLC-UHFFFAOYSA-N 0 0 383.379 3.533 20 10 GHCDRN CCSc1cccc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000837708317 1024652190 /nfs/dbraw/zinc/65/21/90/1024652190.db2.gz JDCYBABHEUBSCN-UHFFFAOYSA-N 0 0 392.471 3.843 20 10 GHCDRN C[C@@H](C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cccc(Cl)c1 ZINC000837709965 1024652866 /nfs/dbraw/zinc/65/28/66/1024652866.db2.gz YLZUJYQEZFVNRU-CYBMUJFWSA-N 0 0 394.849 3.875 20 10 GHCDRN CN1CCCc2cc(CN3CCC[C@H](c4cccc(S(C)(=O)=O)c4)C3)ccc21 ZINC001138359036 1024722715 /nfs/dbraw/zinc/72/27/15/1024722715.db2.gz IHJIOCRZFQDERL-NRFANRHFSA-N 0 0 398.572 3.852 20 10 GHCDRN Cc1cc(C(=O)COC(=O)C2(CF)CCOCC2)c(C)n1-c1ccc(F)cc1 ZINC000837861201 1024760021 /nfs/dbraw/zinc/76/00/21/1024760021.db2.gz ZSQTYPCAJTXRLC-UHFFFAOYSA-N 0 0 391.414 3.725 20 10 GHCDRN Cn1c2ccccc2nc1C(C)(C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001138483840 1024914880 /nfs/dbraw/zinc/91/48/80/1024914880.db2.gz BEEGUIHMTKAAJB-UHFFFAOYSA-N 0 0 381.457 3.864 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N[C@@H]3C[C@H]3c3ccccc3F)CC2)cc1 ZINC000838191895 1024986035 /nfs/dbraw/zinc/98/60/35/1024986035.db2.gz LGCNXBDKYPSNIP-PZJWPPBQSA-N 0 0 383.467 3.658 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3[C@H]3CCC[C@H]3O)cc2)CC1 ZINC000838377930 1025097466 /nfs/dbraw/zinc/09/74/66/1025097466.db2.gz XUAKWUIBESJWJV-YPAWHYETSA-N 0 0 385.552 3.758 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1F ZINC000838392800 1025109138 /nfs/dbraw/zinc/10/91/38/1025109138.db2.gz XJOMLPGUJUTIBJ-DSKINZAPSA-N 0 0 391.531 3.897 20 10 GHCDRN Nc1ccc(CC(=O)N2CCC(Oc3cccc(Br)c3)CC2)cc1 ZINC000832028219 1025150526 /nfs/dbraw/zinc/15/05/26/1025150526.db2.gz AJQLAMFXFDGBSG-UHFFFAOYSA-N 0 0 389.293 3.644 20 10 GHCDRN CCOc1ccc(N2CCN(Cc3cnn(-c4ccc(F)cc4)c3)CC2)cc1 ZINC001138651324 1025165852 /nfs/dbraw/zinc/16/58/52/1025165852.db2.gz NEHGELQGSOKQAU-UHFFFAOYSA-N 0 0 380.467 3.732 20 10 GHCDRN COC(=O)c1c(CNc2ccc(C)c(C(=O)OC)c2)c2cc(F)ccc2n1C ZINC001205142752 1033273152 /nfs/dbraw/zinc/27/31/52/1033273152.db2.gz AQSYKKKPNSZZIX-UHFFFAOYSA-N 0 0 384.407 3.811 20 10 GHCDRN CCC(CC)CN(CC)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838747531 1025341397 /nfs/dbraw/zinc/34/13/97/1025341397.db2.gz UMKHGSBMSSILGL-UHFFFAOYSA-N 0 0 383.483 3.769 20 10 GHCDRN C[C@H]1CCC[C@@H](N(C)C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000838746069 1025341817 /nfs/dbraw/zinc/34/18/17/1025341817.db2.gz DJAJYIFHIWXKTQ-GOEBONIOSA-N 0 0 381.467 3.522 20 10 GHCDRN C[C@H](CCCc1cccnc1)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000838750847 1025347431 /nfs/dbraw/zinc/34/74/31/1025347431.db2.gz HGRWRSGZSNBRHC-NQIIRXRSSA-N 0 0 397.519 3.889 20 10 GHCDRN CCOC(=O)C(=Cc1cc(C)c(C)nc1NCc1cn2cccnc2n1)N=[N+]=[N-] ZINC001161903296 1025485174 /nfs/dbraw/zinc/48/51/74/1025485174.db2.gz LVJPGCXKEJVTDL-SXGWCWSVSA-N 0 0 392.423 3.568 20 10 GHCDRN C[C@@H]1CN(Cc2ccc(N3CCCCC3)c(Br)c2)C[C@H](C)[S@@]1=O ZINC000839058693 1025548586 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CN(C(=O)C=C1CCN(C(=O)OC(C)(C)C)CC1)c1cnc2ccccc2n1 ZINC000839359852 1025845664 /nfs/dbraw/zinc/84/56/64/1025845664.db2.gz VLZZCSSXWALSEE-UHFFFAOYSA-N 0 0 382.464 3.550 20 10 GHCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cnc(F)c(Br)c1 ZINC001162800985 1025921707 /nfs/dbraw/zinc/92/17/07/1025921707.db2.gz QGCPOWISDMIIRY-UHFFFAOYSA-N 0 0 392.272 3.904 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC001139130139 1025943161 /nfs/dbraw/zinc/94/31/61/1025943161.db2.gz RSSPIMDMIGCTFZ-UHFFFAOYSA-N 0 0 382.435 3.658 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC001139130131 1025943731 /nfs/dbraw/zinc/94/37/31/1025943731.db2.gz RGVFUHAAWYPPFF-INIZCTEOSA-N 0 0 396.462 3.825 20 10 GHCDRN Cc1ccc(N2CC[NH+](Cc3c([O-])ccc4c(C)cc(=O)oc43)CC2)c(C)c1 ZINC001139131994 1025944916 /nfs/dbraw/zinc/94/49/16/1025944916.db2.gz RNCNASJNGBFLMO-UHFFFAOYSA-N 0 0 378.472 3.746 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(-c2ncco2)cc1F ZINC000839459084 1025946898 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397.519 3.605 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000840554835 1027613079 /nfs/dbraw/zinc/61/30/79/1027613079.db2.gz CQWYGDVOBUGFCM-NYVOZVTQSA-N 0 0 399.579 3.537 20 10 GHCDRN CCN(CC)c1ccc(CN2CCOC[C@H]2c2nccc(N(CC)CC)n2)cc1 ZINC001203939687 1027733719 /nfs/dbraw/zinc/73/37/19/1027733719.db2.gz SUXKECVJODWKIY-NRFANRHFSA-N 0 0 397.567 3.743 20 10 GHCDRN C[C@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1ccc(Cl)c(Cl)c1[O-] ZINC000840796189 1027831832 /nfs/dbraw/zinc/83/18/32/1027831832.db2.gz DLCQWLQJHNCNLF-SMDDNHRTSA-N 0 0 390.307 3.765 20 10 GHCDRN C[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1cc(Br)cc(Cl)c1[O-] ZINC000840876028 1027913634 /nfs/dbraw/zinc/91/36/34/1027913634.db2.gz IQIYEENCRWEVDL-VIFPVBQESA-N 0 0 398.750 3.672 20 10 GHCDRN Brc1cc(CNc2nc3n(n2)CCCC3)ccc1N1CCCCC1 ZINC000840885918 1027923083 /nfs/dbraw/zinc/92/30/83/1027923083.db2.gz IUBOHXNYJKDLTE-UHFFFAOYSA-N 0 0 390.329 3.979 20 10 GHCDRN CC(=O)N1CCN(Cc2cccc(NCc3c(O)cc(C)cc3Cl)c2)CC1 ZINC000840940406 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20 10 GHCDRN Nc1ccc(NC(=O)C(=O)NCC2(c3cccc(Cl)c3)CCCCC2)cc1 ZINC000841138538 1028203919 /nfs/dbraw/zinc/20/39/19/1028203919.db2.gz YTVDMWJGAPMAQW-UHFFFAOYSA-N 0 0 385.895 3.879 20 10 GHCDRN O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N1Cc2cccc(O)c2C1 ZINC001213481832 1028213259 /nfs/dbraw/zinc/21/32/59/1028213259.db2.gz RGWDRABJFBOANF-UHFFFAOYSA-N 0 0 377.771 3.769 20 10 GHCDRN CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000841175584 1028248762 /nfs/dbraw/zinc/24/87/62/1028248762.db2.gz UBJFESWPOXDHOI-UHFFFAOYSA-N 0 0 391.924 3.720 20 10 GHCDRN Nc1ccc(NC(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000841301816 1028393489 /nfs/dbraw/zinc/39/34/89/1028393489.db2.gz DNZPMMCTGCQDGH-UHFFFAOYSA-N 0 0 378.398 3.637 20 10 GHCDRN COc1ccccc1CCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000301747436 1028401057 /nfs/dbraw/zinc/40/10/57/1028401057.db2.gz CSHXJVUQRPAODA-JOCHJYFZSA-N 0 0 396.531 3.902 20 10 GHCDRN Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000301996336 1028452023 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UCNQKQJXDKUJLX-UHFFFAOYSA-N 0 0 382.379 3.624 20 10 GHCDRN Clc1ccccc1-n1nnc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)n1 ZINC001256978938 1043781669 /nfs/dbraw/zinc/78/16/69/1043781669.db2.gz YKKOHQBAJWNIAQ-UHFFFAOYSA-N 0 0 389.806 3.823 20 10 GHCDRN O=C1NCCCN1c1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)cn1 ZINC001256980956 1043782407 /nfs/dbraw/zinc/78/24/07/1043782407.db2.gz FWGFHYJLCOZBIR-UHFFFAOYSA-N 0 0 386.415 3.509 20 10 GHCDRN c1ccn(-c2ccc(-c3nnc(-c4cc(OC5CCOCC5)ncn4)o3)cc2)c1 ZINC001256980666 1043782506 /nfs/dbraw/zinc/78/25/06/1043782506.db2.gz BTJZVICKVFUGKP-UHFFFAOYSA-N 0 0 389.415 3.542 20 10 GHCDRN COC(=O)c1cccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c1[N+](=O)[O-] ZINC001256992098 1043790094 /nfs/dbraw/zinc/79/00/94/1043790094.db2.gz NLEIOGUCSQSQDB-UHFFFAOYSA-N 0 0 390.355 3.889 20 10 GHCDRN O=C1COCCN1c1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)cc1 ZINC001256996329 1043792810 /nfs/dbraw/zinc/79/28/10/1043792810.db2.gz ZYNPUXGOQVCIMU-UHFFFAOYSA-N 0 0 386.411 3.558 20 10 GHCDRN 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CCCCNC(=O)[C@@H]1CSCN1C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC001440753541 1058610140 /nfs/dbraw/zinc/61/01/40/1058610140.db2.gz GPEZFBOOMAPJJF-FQEVSTJZSA-N 0 0 399.560 3.834 20 10 GHCDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001338935709 1058891712 /nfs/dbraw/zinc/89/17/12/1058891712.db2.gz CPUFXJKVTCYKCN-RAWXMELESA-N 0 0 381.472 3.534 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](O)c1ccccc1C(F)(F)F ZINC001442343277 1058950427 /nfs/dbraw/zinc/95/04/27/1058950427.db2.gz OOSBBWYJTZOSFW-SFHVURJKSA-N 0 0 380.410 3.854 20 10 GHCDRN COc1ccccc1C1(NC(=O)NCc2ccc3c(c2)CCCN3C)CCC1 ZINC001339160358 1058987629 /nfs/dbraw/zinc/98/76/29/1058987629.db2.gz CLLODSOJJGMLKZ-UHFFFAOYSA-N 0 0 379.504 3.956 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC001443854764 1059218856 /nfs/dbraw/zinc/21/88/56/1059218856.db2.gz RTQZZCGLXNCNHN-UHFFFAOYSA-N 0 0 390.365 3.918 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC[C@H](/C=C/C(=O)N2CCOc3cc(F)ccc32)C1 ZINC001444057021 1059257408 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COc1ccc2c(c1)c1c(n2CC(=O)NCC2([C@@H](C)CCO)CCC2)CCCC1 ZINC001546174060 1068127382 /nfs/dbraw/zinc/12/73/82/1068127382.db2.gz XAHNTCLNDJPLSI-KRWDZBQOSA-N 0 0 398.547 3.834 20 10 GHCDRN CC[C@H](CO)N(Cc1ccccc1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001477982541 1078656753 /nfs/dbraw/zinc/65/67/53/1078656753.db2.gz CILUIQXAYQBTHX-OAQYLSRUSA-N 0 0 379.504 3.546 20 10 GHCDRN COc1ccc2c(c1)CC[C@@H](NC(=O)N(C)Cc1ccc(N3CCCC3)cc1)C2 ZINC001469528813 1068206465 /nfs/dbraw/zinc/20/64/65/1068206465.db2.gz RZMMFKOCFAGLMH-OAQYLSRUSA-N 0 0 393.531 3.994 20 10 GHCDRN O=C(CSc1ccc(C(F)(F)F)cn1)NCc1cc(Cl)ccc1O ZINC001469874963 1068443386 /nfs/dbraw/zinc/44/33/86/1068443386.db2.gz SGTQDBFUWJBINR-UHFFFAOYSA-N 0 0 376.787 3.868 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)C1(CO)CC1 ZINC001469960089 1068489956 /nfs/dbraw/zinc/48/99/56/1068489956.db2.gz OIONTBMVJKHUNL-CABCVRRESA-N 0 0 379.932 3.537 20 10 GHCDRN CCO[C@@H](CNC(=O)N(C)CCN(C)c1ccc(OC)cc1)c1ccccc1 ZINC001470006338 1068516378 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C[C@H](COc1c(F)cccc1F)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001470762937 1072724606 /nfs/dbraw/zinc/72/46/06/1072724606.db2.gz WNKPLRBGAGRION-CYBMUJFWSA-N 0 0 390.430 3.816 20 10 GHCDRN Cc1cc(CCNC(=O)N2CC(F)(F)C(F)(F)C2)c(C)n1-c1ccccc1 ZINC001470969005 1072855729 /nfs/dbraw/zinc/85/57/29/1072855729.db2.gz OHKLSLZDGSYSFN-UHFFFAOYSA-N 0 0 383.389 3.932 20 10 GHCDRN Cc1cc(CNC(=O)N2CCO[C@@]3(CCSC3)C2)c(C)n1-c1cccc(C)c1 ZINC001471033740 1072893025 /nfs/dbraw/zinc/89/30/25/1072893025.db2.gz GTVCHISDAUSTGT-QFIPXVFZSA-N 0 0 399.560 3.820 20 10 GHCDRN Cc1cc(C(=O)N(CC2CC2)[C@H](C(N)=O)C2CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC001471259736 1072987180 /nfs/dbraw/zinc/98/71/80/1072987180.db2.gz OAJKQBOTDNQQHA-QFIPXVFZSA-N 0 0 393.531 3.827 20 10 GHCDRN CC[C@H](CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1)C(=O)OC(C)(C)C ZINC001471405996 1073057596 /nfs/dbraw/zinc/05/75/96/1073057596.db2.gz ZPAGNGTZEDWPCE-GOSISDBHSA-N 0 0 389.540 3.796 20 10 GHCDRN C[C@@H](NC(=O)NCc1cccc(Br)c1O)c1ccc2c(c1)CCO2 ZINC001471453885 1073083081 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3.635 20 10 GHCDRN Cc1cc(CNC(=O)N2CCO[C@@H](C(F)F)C2)c(C)n1-c1cccc(C)c1 ZINC001479099301 1079101876 /nfs/dbraw/zinc/10/18/76/1079101876.db2.gz FEOITIVDCQPXEZ-GOSISDBHSA-N 0 0 377.435 3.578 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)NC[C@H]2c3ccccc3CN2C)C2CC2)cc1 ZINC001479141403 1079120733 /nfs/dbraw/zinc/12/07/33/1079120733.db2.gz HVLJJTLTVSKOIB-QFIPXVFZSA-N 0 0 378.520 3.613 20 10 GHCDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC[C@H](CO)Cc1ccco1 ZINC001472651037 1073596514 /nfs/dbraw/zinc/59/65/14/1073596514.db2.gz RZPBZYQQFBARBZ-OAHLLOKOSA-N 0 0 380.400 3.682 20 10 GHCDRN CCN(C[C@H](O)c1ccc(C)cc1)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC001472713352 1073630993 /nfs/dbraw/zinc/63/09/93/1073630993.db2.gz IKCWMJPBYQAEJJ-CRLZUZNUSA-N 0 0 384.432 3.649 20 10 GHCDRN CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1C ZINC001472829014 1073684410 /nfs/dbraw/zinc/68/44/10/1073684410.db2.gz BURGIIJASFGRSL-OAHLLOKOSA-N 0 0 399.447 3.779 20 10 GHCDRN Cc1cc(Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)ccc1N1CCCCC1 ZINC001473026233 1073754342 /nfs/dbraw/zinc/75/43/42/1073754342.db2.gz CAWVHJPFWQUFBM-UHFFFAOYSA-N 0 0 394.431 3.759 20 10 GHCDRN Cc1cc(C(=O)CN2C(=O)N[C@](C)(C3(C)CC3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC001473029496 1073755280 /nfs/dbraw/zinc/75/52/80/1073755280.db2.gz IFBAOUDXFBIDJD-QHCPKHFHSA-N 0 0 393.487 3.696 20 10 GHCDRN COc1ccc(N2CCN(CCOc3ccc(F)c(Cl)c3)CC2)cc1F ZINC001473270242 1073900282 /nfs/dbraw/zinc/90/02/82/1073900282.db2.gz RFAZCXGNXMMZCM-UHFFFAOYSA-N 0 0 382.838 3.828 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)c1 ZINC001473979437 1074224166 /nfs/dbraw/zinc/22/41/66/1074224166.db2.gz TTZBSPSLGZMBSU-GFCCVEGCSA-N 0 0 389.293 3.833 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NC[C@H]3C[C@@H]3Cc3ccccc3)CC2)cc1 ZINC001479571057 1079232087 /nfs/dbraw/zinc/23/20/87/1079232087.db2.gz ILVQDAKGXHLKRY-LEWJYISDSA-N 0 0 393.531 3.796 20 10 GHCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC001474034871 1074243329 /nfs/dbraw/zinc/24/33/29/1074243329.db2.gz 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GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2cccc(-c3nn[nH]n3)c2C)cc1 ZINC000821197358 607286891 /nfs/dbraw/zinc/28/68/91/607286891.db2.gz JKPUBGIJTWPMPA-UHFFFAOYSA-N 0 0 393.495 3.685 20 10 GHCDRN COc1ccc2[nH]cc(C3=CCN(c4ccc(-c5nn[nH]n5)cc4F)CC3)c2c1 ZINC000737113811 598239630 /nfs/dbraw/zinc/23/96/30/598239630.db2.gz GRERAXOFMGETRM-UHFFFAOYSA-N 0 0 390.422 3.789 20 10 GHCDRN Cc1cccc(C=C2SC(=S)N(c3ccccc3-c3nn[nH]n3)C2=O)c1C ZINC000737392107 598542183 /nfs/dbraw/zinc/54/21/83/598542183.db2.gz OFQVESHXWAXOQX-MHWRWJLKSA-N 0 0 393.497 3.889 20 10 GHCDRN Cc1cc(C(=O)N(C)Cc2ccsc2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737227617 598610295 /nfs/dbraw/zinc/61/02/95/598610295.db2.gz NYKQUQGSTHBZOG-UHFFFAOYSA-N 0 0 392.488 3.608 20 10 GHCDRN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000738534351 600148278 /nfs/dbraw/zinc/14/82/78/600148278.db2.gz ZLXWMRZNIQFVEK-UHFFFAOYSA-N 0 0 382.460 3.782 20 10 GHCDRN O=C([O-])[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1 ZINC000738519352 600433827 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C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1 ZINC000120065496 834344152 /nfs/dbraw/zinc/34/41/52/834344152.db2.gz LVBCMRMAQVRKAN-HNNXBMFYSA-N 0 0 392.421 3.962 20 10 GHCDRN CC(C)N(C)c1ccc(/C=C2\SC(=S)N(CCc3cccnc3)C2=O)cn1 ZINC000588577555 834560071 /nfs/dbraw/zinc/56/00/71/834560071.db2.gz FZGNZCUXDDACCM-BOPFTXTBSA-N 0 0 398.557 3.765 20 10 GHCDRN CCN(C)c1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cn1 ZINC000588578109 834595690 /nfs/dbraw/zinc/59/56/90/834595690.db2.gz NVGJXYWFZOZWCM-LGMDPLHJSA-N 0 0 383.542 3.982 20 10 GHCDRN COc1ccc([C@@H](C)CC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1 ZINC000175714696 834608948 /nfs/dbraw/zinc/60/89/48/834608948.db2.gz LXIUMTCUBDRRKF-SFHVURJKSA-N 0 0 382.504 3.936 20 10 GHCDRN CCOC(=O)/C(=C/c1ccc(N(C)CC)nc1)c1nccn1Cc1ccccc1 ZINC000588578603 834621329 /nfs/dbraw/zinc/62/13/29/834621329.db2.gz CKZKEYDCXVJCPK-HMMYKYKNSA-N 0 0 390.487 3.886 20 10 GHCDRN O=[N+]([O-])c1c(NCc2ccc(N3CCC(CO)CC3)cc2)ccc2ncccc21 ZINC000052446748 834695492 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C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588408306 838371118 /nfs/dbraw/zinc/37/11/18/838371118.db2.gz FYSDUZHDIXONSC-MEQVVJDKSA-N 0 0 394.240 3.760 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc2[nH]ccc21 ZINC000275710346 838456776 /nfs/dbraw/zinc/45/67/76/838456776.db2.gz MCQSTZDMZUYUEO-UHFFFAOYSA-N 0 0 378.476 3.610 20 10 GHCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000180317228 838561461 /nfs/dbraw/zinc/56/14/61/838561461.db2.gz KVQKFVQTWWLDTH-UHFFFAOYSA-N 0 0 390.399 3.665 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2cc(Br)ccc2F)c1 ZINC000103509440 838640485 /nfs/dbraw/zinc/64/04/85/838640485.db2.gz KYSWWRPLLRPPCI-SNVBAGLBSA-N 0 0 397.244 3.863 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000180934444 838681637 /nfs/dbraw/zinc/68/16/37/838681637.db2.gz KNRBEPVTTFUBBH-VZUCSPMQSA-N 0 0 375.428 3.950 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000275797443 838906837 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COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(O)c(O)c2)c(OC)c1 ZINC000024034236 839502080 /nfs/dbraw/zinc/50/20/80/839502080.db2.gz CRBUTDDXHZHPID-OAQYLSRUSA-N 0 0 392.411 3.886 20 10 GHCDRN C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1cc(Br)cc(F)c1[O-] ZINC000894061746 844451633 /nfs/dbraw/zinc/45/16/33/844451633.db2.gz JSKBOSAXNVEIOK-JOCHJYFZSA-N 0 0 386.286 3.663 20 10 GHCDRN CC(=O)c1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1C ZINC000275899242 839695823 /nfs/dbraw/zinc/69/58/23/839695823.db2.gz TXUYFDUNNNOUDG-UHFFFAOYSA-N 0 0 393.487 3.942 20 10 GHCDRN COc1ccccc1SC[C@H](C)CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000728937930 844464605 /nfs/dbraw/zinc/46/46/05/844464605.db2.gz DVIXNJFOBQNMJL-MRXNPFEDSA-N 0 0 387.549 3.989 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCc2c(C)c3ccccc3n2C)cn1 ZINC000471596060 839847903 /nfs/dbraw/zinc/84/79/03/839847903.db2.gz WVUYQMYBPGFAJX-UHFFFAOYSA-N 0 0 379.508 3.727 20 10 GHCDRN O=C(NCc1cccc(Cl)c1O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000894170571 844481869 /nfs/dbraw/zinc/48/18/69/844481869.db2.gz DOXPDEBVKPJECX-NVXWUHKLSA-N 0 0 378.831 3.904 20 10 GHCDRN CC[C@H](CNC(=O)N[C@H](C)c1cc(OC)ccc1O)Oc1ccccc1F ZINC000175957090 840047348 /nfs/dbraw/zinc/04/73/48/840047348.db2.gz YLOFDUWWDPVBCO-ZIAGYGMSSA-N 0 0 376.428 3.758 20 10 GHCDRN Cc1cc(C(=O)OCC(=O)NC(C)C)c(C)n1-c1ccc(Br)cc1 ZINC000014365233 840121638 /nfs/dbraw/zinc/12/16/38/840121638.db2.gz PEBPQIPNCOLASR-UHFFFAOYSA-N 0 0 393.281 3.538 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NC3CC(c4ccccc4)C3)CC2)cc1 ZINC000728307489 840258930 /nfs/dbraw/zinc/25/89/30/840258930.db2.gz DVWPBQPBDVBEGB-UHFFFAOYSA-N 0 0 379.504 3.909 20 10 GHCDRN Cc1cc(C(=O)CN2CC[C@H](C)[S@](=O)CC2)c(C)n1-c1ccc(C)c(F)c1 ZINC000759871804 840286525 /nfs/dbraw/zinc/28/65/25/840286525.db2.gz WQKJYCQLGDSHKE-RKOGDMNLSA-N 0 0 390.524 3.567 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N[C@H]3COc4c3ccc(C)c4C)CC2)cc1 ZINC000728310046 840318921 /nfs/dbraw/zinc/31/89/21/840318921.db2.gz QAXVYNSCXULORF-NRFANRHFSA-N 0 0 395.503 3.714 20 10 GHCDRN COc1cc(N2CCN(CCCCC(F)(F)F)CC2)cc(OC)c1OC ZINC000759887727 840350290 /nfs/dbraw/zinc/35/02/90/840350290.db2.gz WXCKTEPYFJQJMM-UHFFFAOYSA-N 0 0 376.419 3.567 20 10 GHCDRN Cc1cc(-c2nc(CC3CC(F)(F)C3)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000580994007 840569371 /nfs/dbraw/zinc/56/93/71/840569371.db2.gz NEPYTXBWMUQZFQ-UHFFFAOYSA-N 0 0 389.427 3.849 20 10 GHCDRN COC(=O)[C@]1(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CCSC1 ZINC000759919159 840768301 /nfs/dbraw/zinc/76/83/01/840768301.db2.gz DCBDGZVMNVGSHJ-IBGZPJMESA-N 0 0 392.908 3.526 20 10 GHCDRN CCN(CC)c1ccc(CNc2ccc3nnc(C(F)(F)F)n3n2)cc1F ZINC000066859973 840958047 /nfs/dbraw/zinc/95/80/47/840958047.db2.gz CJSKPZHKZJWGLO-UHFFFAOYSA-N 0 0 382.365 3.741 20 10 GHCDRN CC1CCN(C(=O)c2ccccc2NC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000588405694 841021648 /nfs/dbraw/zinc/02/16/48/841021648.db2.gz MCBBYVPAHRGDAO-CLFYSBASSA-N 0 0 380.444 3.622 20 10 GHCDRN Cc1ccc(I)cc1NCc1cc2c(cc1O)OCO2 ZINC000312552135 841074376 /nfs/dbraw/zinc/07/43/76/841074376.db2.gz JIBFAVKFYUPFJF-UHFFFAOYSA-N 0 0 383.185 3.646 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3cc4cc(OC)ccc4[nH]3)CC2)cc1 ZINC000189224645 841165846 /nfs/dbraw/zinc/16/58/46/841165846.db2.gz ZJVKYUZBKGZVHH-UHFFFAOYSA-N 0 0 379.460 3.584 20 10 GHCDRN Cn1c2ccccc2nc1[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000588408130 841234728 /nfs/dbraw/zinc/23/47/28/841234728.db2.gz QDDDXOJSKCUWDD-QSMQPCCASA-N 0 0 399.450 3.904 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(C(=O)N2CCCCC2)c1 ZINC001126004980 841263650 /nfs/dbraw/zinc/26/36/50/841263650.db2.gz UHDALIHCXLQDDK-UHFFFAOYSA-N 0 0 379.504 3.617 20 10 GHCDRN CCn1c(CCNC(=O)NCc2c(O)ccc3c2CCCC3)nc2ccccc21 ZINC000176001753 841296480 /nfs/dbraw/zinc/29/64/80/841296480.db2.gz HGVYLKAMAVVSQW-UHFFFAOYSA-N 0 0 392.503 3.683 20 10 GHCDRN COc1c(F)cc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1F ZINC000125206360 841352710 /nfs/dbraw/zinc/35/27/10/841352710.db2.gz OWXFHXURRKWJDK-OAHLLOKOSA-N 0 0 392.402 3.892 20 10 GHCDRN COc1ccc(O[C@H](C)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000125307987 841382369 /nfs/dbraw/zinc/38/23/69/841382369.db2.gz AXEDEMPDFPNWNK-MRXNPFEDSA-N 0 0 381.428 3.990 20 10 GHCDRN CC(C)N(C)c1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1F ZINC000190942799 841441094 /nfs/dbraw/zinc/44/10/94/841441094.db2.gz YUKSWISEONKIBK-ZDUSSCGKSA-N 0 0 375.444 3.834 20 10 GHCDRN CCCCn1nccc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000164316687 841476279 /nfs/dbraw/zinc/47/62/79/841476279.db2.gz BCWNVTLMXODWFQ-UHFFFAOYSA-N 0 0 398.507 3.689 20 10 GHCDRN COCc1noc([C@H](C)OC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)n1 ZINC000785046544 841492361 /nfs/dbraw/zinc/49/23/61/841492361.db2.gz PTQILRXFAMCVPF-AWEZNQCLSA-N 0 0 385.420 3.550 20 10 GHCDRN COc1cccc(C2(NC(=O)NCc3ccc(N4CCSCC4)cc3)CC2)c1 ZINC000160921618 841553344 /nfs/dbraw/zinc/55/33/44/841553344.db2.gz XYCILUMPOVGRSC-UHFFFAOYSA-N 0 0 397.544 3.737 20 10 GHCDRN Oc1ccc(C[C@@H](O)c2nc(-c3cc(F)ccc3C(F)(F)F)no2)cc1O ZINC001211665482 841600746 /nfs/dbraw/zinc/60/07/46/841600746.db2.gz SXTLRWGTSXOOHG-CQSZACIVSA-N 0 0 384.285 3.582 20 10 GHCDRN COc1ccc(Br)cc1/C=C1\SC(N2CCCCC2)=NC1=O ZINC000022347736 841710573 /nfs/dbraw/zinc/71/05/73/841710573.db2.gz SBFNAHGUVGKSTQ-UVTDQMKNSA-N 0 0 381.295 3.914 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCCc1ccc2c(c1)OCCCO2 ZINC001126082993 841727386 /nfs/dbraw/zinc/72/73/86/841727386.db2.gz SGPVWOIXRXHLKD-UHFFFAOYSA-N 0 0 382.504 3.861 20 10 GHCDRN Cc1ccc([C@H](C)NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000123384186 841760602 /nfs/dbraw/zinc/76/06/02/841760602.db2.gz IBZDKYXFFJRMPP-SFHVURJKSA-N 0 0 381.520 3.764 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000160971590 841834315 /nfs/dbraw/zinc/83/43/15/841834315.db2.gz PTXOGEISVSXTRZ-HKUYNNGSSA-N 0 0 388.483 3.938 20 10 GHCDRN Cc1cc(C(=O)NC2CCOCC2)c(C)n1-c1ccccc1Br ZINC000064997957 842132917 /nfs/dbraw/zinc/13/29/17/842132917.db2.gz ILTHABKOFKCWIF-UHFFFAOYSA-N 0 0 377.282 3.765 20 10 GHCDRN O=C(CSc1ccc(F)c(F)c1)NCc1ccc(N2CCSCC2)cc1 ZINC000054035463 842209789 /nfs/dbraw/zinc/20/97/89/842209789.db2.gz CMBULIIINUZSTA-UHFFFAOYSA-N 0 0 394.512 3.927 20 10 GHCDRN COc1c([O-])c(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000278943062 842354992 /nfs/dbraw/zinc/35/49/92/842354992.db2.gz YCPBXNLOVRHNSF-UHFFFAOYSA-N 0 0 386.326 3.540 20 10 GHCDRN COCCN(C(=O)Cn1c2ccc(OC)cc2c2c1CCCC2)C1CCCC1 ZINC001125539123 842429377 /nfs/dbraw/zinc/42/93/77/842429377.db2.gz ZKLSPHWVLUKEGJ-UHFFFAOYSA-N 0 0 384.520 3.946 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@H](O)CC(C)(C)C2)CCCC1 ZINC000652416795 842506868 /nfs/dbraw/zinc/50/68/68/842506868.db2.gz DNWHWUDNKMWPII-INIZCTEOSA-N 0 0 384.520 3.538 20 10 GHCDRN Cc1ccc([C@@H](C[NH2+]Cc2cccc(Br)c2[O-])N2CCCC2)o1 ZINC000101599750 842619815 /nfs/dbraw/zinc/61/98/15/842619815.db2.gz MZMKLEYLCBJZNO-MRXNPFEDSA-N 0 0 379.298 3.983 20 10 GHCDRN CN(C)c1ccc([C@@H](O)c2nc(-c3ccc(Br)c(F)c3)no2)cc1 ZINC001211701103 842663637 /nfs/dbraw/zinc/66/36/37/842663637.db2.gz JVNDYHWQEFYQBQ-OAHLLOKOSA-N 0 0 392.228 3.786 20 10 GHCDRN COc1ccc(C[C@@H](C)NC(=O)NCc2c(C)c3ccccc3n2C)cc1OC ZINC000471825149 842731451 /nfs/dbraw/zinc/73/14/51/842731451.db2.gz TVFZLJWHFKHXFR-OAHLLOKOSA-N 0 0 395.503 3.934 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](c1nnc2ccccn21)C(C)C ZINC000471826643 842742368 /nfs/dbraw/zinc/74/23/68/842742368.db2.gz NUUAACKBFFLWBR-FQEVSTJZSA-N 0 0 390.491 3.726 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000162826673 842849791 /nfs/dbraw/zinc/84/97/91/842849791.db2.gz LVFCLPWNGZBYHF-LEWJYISDSA-N 0 0 385.483 3.689 20 10 GHCDRN COc1cc2c(cc1C(=O)N(Cc1ccco1)Cc1ccccc1O)OCO2 ZINC000759932381 842866380 /nfs/dbraw/zinc/86/63/80/842866380.db2.gz SUWPXUZJQABAIU-UHFFFAOYSA-N 0 0 381.384 3.565 20 10 GHCDRN O=S(=O)(/C=C/c1ccc(F)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000178557547 842956924 /nfs/dbraw/zinc/95/69/24/842956924.db2.gz IJPKELCDDOFNTB-XSSIKURBSA-N 0 0 391.464 3.513 20 10 GHCDRN COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c(OC)c1 ZINC000120349981 842972503 /nfs/dbraw/zinc/97/25/03/842972503.db2.gz KJSURAZZYIGSGX-HXUWFJFHSA-N 0 0 398.503 3.591 20 10 GHCDRN CC1(Cn2cc(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)nn2)COC1 ZINC000588451197 843297274 /nfs/dbraw/zinc/29/72/74/843297274.db2.gz GJOSHDYXRSETBN-UHFFFAOYSA-N 0 0 376.420 3.982 20 10 GHCDRN Cc1[nH]nc2nc(C)cc(C(=O)NCc3ccc(N4CCC(C)CC4)cc3)c12 ZINC000731016444 861409061 /nfs/dbraw/zinc/40/90/61/861409061.db2.gz REUGTLGKPDKSLD-UHFFFAOYSA-N 0 0 377.492 3.741 20 10 GHCDRN Cc1cc(C(=O)NC(C)(C)C(=O)Nc2ccccc2)c(C)n1-c1ccccn1 ZINC000731018916 861412111 /nfs/dbraw/zinc/41/21/11/861412111.db2.gz AJINIALNGIRCFA-UHFFFAOYSA-N 0 0 376.460 3.636 20 10 GHCDRN CC(=O)N(C)c1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000279811920 843401686 /nfs/dbraw/zinc/40/16/86/843401686.db2.gz XLMBBVMHANHFGP-UHFFFAOYSA-N 0 0 379.504 3.932 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)NCCSC(F)(F)F)cc2)CC1 ZINC000731048681 861418007 /nfs/dbraw/zinc/41/80/07/861418007.db2.gz CHPDQSHRLBKNQE-UHFFFAOYSA-N 0 0 375.460 3.975 20 10 GHCDRN CCCCOc1ccc(F)cc1N(C)S(=O)(=O)CCc1ccc(N)cc1 ZINC001211719123 843650530 /nfs/dbraw/zinc/65/05/30/843650530.db2.gz XYPSPQHRTRRXSY-UHFFFAOYSA-N 0 0 380.485 3.596 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000106158256 843692881 /nfs/dbraw/zinc/69/28/81/843692881.db2.gz KBNBRUPUSNAWTL-UHFFFAOYSA-N 0 0 386.499 3.891 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000128744041 843697543 /nfs/dbraw/zinc/69/75/43/843697543.db2.gz PBJLQOHJWIMMBV-UHFFFAOYSA-N 0 0 378.432 3.871 20 10 GHCDRN Cc1ncc(/C=C/C(=O)N(C)c2cc(CNC(=O)OC(C)(C)C)ccn2)s1 ZINC000894132857 843875939 /nfs/dbraw/zinc/87/59/39/843875939.db2.gz QHKRDIPXSSOLNA-VOTSOKGWSA-N 0 0 388.493 3.547 20 10 GHCDRN C/C(=C/c1cccnc1)C(=O)N(C)c1cc(CNC(=O)OC(C)(C)C)ccn1 ZINC000894138843 843979599 /nfs/dbraw/zinc/97/95/99/843979599.db2.gz ODSPJCLVORZTBQ-PTNGSMBKSA-N 0 0 382.464 3.568 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cnn(Cc3ccccc3Cl)c2)c1 ZINC000728979050 844665525 /nfs/dbraw/zinc/66/55/25/844665525.db2.gz BXIYBFDMACTSEF-ZDUSSCGKSA-N 0 0 385.851 3.790 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2sc(N3CCCC3)nc2Cl)c1 ZINC000728982010 844667625 /nfs/dbraw/zinc/66/76/25/844667625.db2.gz HYYVCJKZAOUWHR-SNVBAGLBSA-N 0 0 381.885 3.602 20 10 GHCDRN CCc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000731131546 861484913 /nfs/dbraw/zinc/48/49/13/861484913.db2.gz MWZYNLIWQRKNCA-UHFFFAOYSA-N 0 0 379.504 3.740 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cccc(C)c2C(=O)N2CCCC2)c1 ZINC000729035382 844692919 /nfs/dbraw/zinc/69/29/19/844692919.db2.gz DIUPFILFDOATDI-HNNXBMFYSA-N 0 0 397.475 3.828 20 10 GHCDRN COC(=O)c1cc2cc(NC(=O)N[C@H](C)c3cc(OC)ccc3O)ccc2o1 ZINC000729037232 844693738 /nfs/dbraw/zinc/69/37/38/844693738.db2.gz QVTYCFZPFUCBLW-LLVKDONJSA-N 0 0 384.388 3.816 20 10 GHCDRN CCN(Cc1ccccc1NC(=O)N[C@H](C)c1cc(OC)ccc1O)C(C)=O ZINC000729037120 844694835 /nfs/dbraw/zinc/69/48/35/844694835.db2.gz VOAJBGSBOPUGPR-CQSZACIVSA-N 0 0 385.464 3.652 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3cnc(C4CC4)s3)cc2F)C[C@H](C)O1 ZINC000729325470 844851479 /nfs/dbraw/zinc/85/14/79/844851479.db2.gz XLXLRNNTAXDOLZ-BETUJISGSA-N 0 0 389.496 3.703 20 10 GHCDRN Cc1cc(C(=O)CN2CCC(C(=O)N(C)C)CC2)c(C)n1-c1ccc(C)c(C)c1 ZINC000067127167 844868943 /nfs/dbraw/zinc/86/89/43/844868943.db2.gz MXVMAJPXSILVEL-UHFFFAOYSA-N 0 0 395.547 3.694 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3sccc3OC(F)F)CC2)cc1 ZINC000729360167 844883054 /nfs/dbraw/zinc/88/30/54/844883054.db2.gz OCSWKPQSUSYWNB-UHFFFAOYSA-N 0 0 382.432 3.757 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCCc2sccc21 ZINC000151385424 845182400 /nfs/dbraw/zinc/18/24/00/845182400.db2.gz UFVLISDATXKZLG-HXUWFJFHSA-N 0 0 384.545 3.693 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCCc2sccc21 ZINC000151385498 845182669 /nfs/dbraw/zinc/18/26/69/845182669.db2.gz UFVLISDATXKZLG-FQEVSTJZSA-N 0 0 384.545 3.693 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000248124198 845240776 /nfs/dbraw/zinc/24/07/76/845240776.db2.gz WFVIVVWMVNSILI-UHFFFAOYSA-N 0 0 391.471 3.722 20 10 GHCDRN Cc1noc(C[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)c2ccccc2)n1 ZINC000277205906 845290887 /nfs/dbraw/zinc/29/08/87/845290887.db2.gz MYJGNGBTWIEMEO-FQEVSTJZSA-N 0 0 393.491 3.569 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCCc2ccc(OC)c(F)c2)cc1F ZINC000731364884 861575860 /nfs/dbraw/zinc/57/58/60/861575860.db2.gz RCQLCFUHVMEOND-UHFFFAOYSA-N 0 0 391.462 3.862 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1F ZINC000731345664 861580204 /nfs/dbraw/zinc/58/02/04/861580204.db2.gz DZJSEBKDEORUED-LJQANCHMSA-N 0 0 376.859 3.945 20 10 GHCDRN CCc1c(C(=O)NCc2ccc(N(CC)CC)c(F)c2)cnn1-c1ccccn1 ZINC000731346038 861580482 /nfs/dbraw/zinc/58/04/82/861580482.db2.gz OUWLFAZBLLEOLH-UHFFFAOYSA-N 0 0 395.482 3.745 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](c2ccccc2)n2cccn2)cc1F ZINC000731347364 861581653 /nfs/dbraw/zinc/58/16/53/861581653.db2.gz VNEWCBIGTYWRDP-OAQYLSRUSA-N 0 0 380.467 3.774 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(OC(C)C)c(OC)c2)c1 ZINC000728945415 845620768 /nfs/dbraw/zinc/62/07/68/845620768.db2.gz ROEVGGFFZSELKD-CQSZACIVSA-N 0 0 388.464 3.757 20 10 GHCDRN C/C=C\C[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000588489752 845682283 /nfs/dbraw/zinc/68/22/83/845682283.db2.gz RBSASQXENBUSKB-QKXNICGJSA-N 0 0 393.119 3.895 20 10 GHCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H](Cc1ccccc1)C1CC1 ZINC000761356680 861608864 /nfs/dbraw/zinc/60/88/64/861608864.db2.gz AHXJAXOJRCLUQP-SFHVURJKSA-N 0 0 384.863 3.831 20 10 GHCDRN COc1ccc([C@H]2NC(=O)N(Cc3ccc(N(C)C)cc3C)C2=O)cc1Cl ZINC000761356395 861615175 /nfs/dbraw/zinc/61/51/75/861615175.db2.gz VTEJQCWRAFFVPA-GOSISDBHSA-N 0 0 387.867 3.516 20 10 GHCDRN COc1ccc(O)c(C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000280268773 846346181 /nfs/dbraw/zinc/34/61/81/846346181.db2.gz MIUKOHGRATWVOJ-HNNXBMFYSA-N 0 0 375.774 3.896 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@]4(CCCOC4)C3)ccc21 ZINC000473548972 846566671 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390.487 3.952 20 10 GHCDRN O=C(/C=C/c1ccc(Cl)cc1)N1CCCC[C@H]1C(=O)NCc1ccccc1O ZINC000769363016 874001214 /nfs/dbraw/zinc/00/12/14/874001214.db2.gz DVCSFYWCHWSJTC-QHSLDKKCSA-N 0 0 398.890 3.756 20 10 GHCDRN Cc1ccc2nc(COc3cccc(C(=O)NCc4ccccc4O)c3)cn2c1 ZINC000769365140 874002154 /nfs/dbraw/zinc/00/21/54/874002154.db2.gz NIBQPOVBNQJORX-UHFFFAOYSA-N 0 0 387.439 3.857 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)CCC(=O)c2ccc(Cl)cn2)C2CC2)cc1 ZINC000769368912 874003180 /nfs/dbraw/zinc/00/31/80/874003180.db2.gz ISAQYEZTADSRHB-UHFFFAOYSA-N 0 0 385.895 3.955 20 10 GHCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+](CCCO)[C@H]2CCc3ccccc32)c1[O-] ZINC000769424306 874045271 /nfs/dbraw/zinc/04/52/71/874045271.db2.gz LHXOUBMRMFWVNC-KRWDZBQOSA-N 0 0 376.840 3.826 20 10 GHCDRN Cc1nc(N2CCN(Cc3cc(Br)ccc3O)CC2)sc1C ZINC000769497989 874104552 /nfs/dbraw/zinc/10/45/52/874104552.db2.gz IZDDJOZRFRGZBN-UHFFFAOYSA-N 0 0 382.327 3.550 20 10 GHCDRN COC(=O)[C@@H](NC(=O)c1cc(C)n(-c2ccccc2C)c1C)c1cccc(O)c1 ZINC000775795475 874130686 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CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-c2ccc(=O)[nH]n2)cc1 ZINC001198338544 874360861 /nfs/dbraw/zinc/36/08/61/874360861.db2.gz NHBGVLQKWIYIBB-UHFFFAOYSA-N 0 0 376.460 3.578 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C)nn(CC2CCOCC2)c1C ZINC001198656532 874547464 /nfs/dbraw/zinc/54/74/64/874547464.db2.gz UOTKIXCBXYKICZ-UHFFFAOYSA-N 0 0 398.551 3.655 20 10 GHCDRN Cc1ccccc1C[C@@H](C)N(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000770256918 874575205 /nfs/dbraw/zinc/57/52/05/874575205.db2.gz BQMMLFMBIQFPRA-GOSISDBHSA-N 0 0 399.510 3.743 20 10 GHCDRN Cc1cc(C(=O)NC2(c3ccc4c(c3)OCO4)CC2)c(C)n1-c1ccccn1 ZINC000770332530 874577662 /nfs/dbraw/zinc/57/76/62/874577662.db2.gz NEOOLOZAZPHLBS-UHFFFAOYSA-N 0 0 375.428 3.637 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000115855313 882843046 /nfs/dbraw/zinc/84/30/46/882843046.db2.gz HUFSKIAKLYVWEM-SFHVURJKSA-N 0 0 395.425 3.613 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000115855560 882843752 /nfs/dbraw/zinc/84/37/52/882843752.db2.gz SKFSZHGAKAFCTC-OAQYLSRUSA-N 0 0 397.519 3.657 20 10 GHCDRN [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000770382226 874624845 /nfs/dbraw/zinc/62/48/45/874624845.db2.gz UKJFLVHZKHMFEO-CYBMUJFWSA-N 0 0 377.286 3.530 20 10 GHCDRN Cc1cc(CNC(=S)Nc2ccc(N(C)C)cc2)ncc1Br ZINC001198780536 874629856 /nfs/dbraw/zinc/62/98/56/874629856.db2.gz OVHRWSTVQQXTMQ-UHFFFAOYSA-N 0 0 379.327 3.705 20 10 GHCDRN CC[C@@H]1CN(C(=O)c2ccccc2SCc2ccco2)C[C@@H](C)[S@@]1=O ZINC000804432581 882848005 /nfs/dbraw/zinc/84/80/05/882848005.db2.gz HXFKSXCTAOWWGB-ZCBSFCEKSA-N 0 0 377.531 3.944 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)NCc3ccc([C@@H](C)O)c(C)n3)c2C)cc1 ZINC000770453107 874693399 /nfs/dbraw/zinc/69/33/99/874693399.db2.gz WNRASUOZNOWCSV-QGZVFWFLSA-N 0 0 393.487 3.789 20 10 GHCDRN Cc1cc(C(=O)NCc2nc(C(F)(F)F)n[nH]2)c(C)n1-c1ccc(Cl)cc1 ZINC000775914208 874698608 /nfs/dbraw/zinc/69/86/08/874698608.db2.gz QTZSJQWJDSSDQP-UHFFFAOYSA-N 0 0 397.788 3.814 20 10 GHCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc3nsnc3c2)cc1 ZINC000770481730 874725320 /nfs/dbraw/zinc/72/53/20/874725320.db2.gz RJGKEBGIUHPHKG-SFHVURJKSA-N 0 0 396.516 3.579 20 10 GHCDRN CN(C)c1ccc(CNc2cccc(C(=O)N3CCCC[C@H]3CCO)c2)cc1F ZINC000770523677 874742607 /nfs/dbraw/zinc/74/26/07/874742607.db2.gz JGZJJRZUMLNDMC-FQEVSTJZSA-N 0 0 399.510 3.881 20 10 GHCDRN CC(C)Cn1cc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c(C(F)F)n1 ZINC000542030698 874776531 /nfs/dbraw/zinc/77/65/31/874776531.db2.gz MMMBVZAEHCIOFJ-UHFFFAOYSA-N 0 0 393.438 3.974 20 10 GHCDRN CC1CCN(c2ccc(CNCc3cn(C)nc3Br)cc2)CC1 ZINC000858131947 882868758 /nfs/dbraw/zinc/86/87/58/882868758.db2.gz NTKHPPQCFAFRIF-UHFFFAOYSA-N 0 0 377.330 3.709 20 10 GHCDRN CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000770830001 874904782 /nfs/dbraw/zinc/90/47/82/874904782.db2.gz NGFLBXXFOOLOMF-YCRPNKLZSA-N 0 0 385.483 3.784 20 10 GHCDRN O=C(c1cc(-c2cccc(Cl)c2)no1)N1CCCc2cc(O)c(O)cc2C1 ZINC001199313868 874907260 /nfs/dbraw/zinc/90/72/60/874907260.db2.gz MOXLQEBOZRZAOA-UHFFFAOYSA-N 0 0 384.819 3.995 20 10 GHCDRN CC(C)n1ccnc1C(=O)Nc1ccc(NC(=O)Nc2ccc(N)cc2)cc1 ZINC001199411342 874975232 /nfs/dbraw/zinc/97/52/32/874975232.db2.gz HTOMUVIJPQXXOT-UHFFFAOYSA-N 0 0 378.436 3.943 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N[C@H](C(C)(C)C)C(F)(F)F)CC2)cc1 ZINC000775979111 875007510 /nfs/dbraw/zinc/00/75/10/875007510.db2.gz LTBSFHYJHUOXII-MRXNPFEDSA-N 0 0 387.446 3.940 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)Nc3cc(F)c(F)cc3F)CC2)cc1 ZINC000105044753 875018053 /nfs/dbraw/zinc/01/80/53/875018053.db2.gz FWMLMNZUVXHMCE-UHFFFAOYSA-N 0 0 379.382 3.903 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(Cc2ccccc2OC)c1 ZINC001199563638 875046511 /nfs/dbraw/zinc/04/65/11/875046511.db2.gz VALGNETZEYYXKX-UHFFFAOYSA-N 0 0 392.503 3.668 20 10 GHCDRN CCOc1cccc(CCNC(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000771206052 875087057 /nfs/dbraw/zinc/08/70/57/875087057.db2.gz XLSSCSFOEKBEBR-UHFFFAOYSA-N 0 0 399.560 3.680 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)c1nc(C(F)(F)F)n2c1CCCC2 ZINC000528823031 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Cc1cc(C(=O)NC[C@H](C)CCO)c(C)n1-c1ccccc1Br ZINC000771651736 875359702 /nfs/dbraw/zinc/35/97/02/875359702.db2.gz FVPLNZBWJIASFS-GFCCVEGCSA-N 0 0 379.298 3.605 20 10 GHCDRN Cc1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)n(C2CCOCC2)n1 ZINC000771785228 875459643 /nfs/dbraw/zinc/45/96/43/875459643.db2.gz LHECFBNEFAKEIA-UHFFFAOYSA-N 0 0 379.464 3.598 20 10 GHCDRN O=C(Cc1csc2ccc(Cl)cc12)OCC(=O)c1ccc(O)c(O)c1 ZINC000784336544 875503709 /nfs/dbraw/zinc/50/37/09/875503709.db2.gz QSBGMPKMAYPPFR-UHFFFAOYSA-N 0 0 376.817 3.935 20 10 GHCDRN CC(C)Oc1cc(N(C)S(=O)(=O)CCc2ccc(N)cc2)ccc1Cl ZINC001201383457 875667019 /nfs/dbraw/zinc/66/70/19/875667019.db2.gz LESCLVCTXXJTJV-UHFFFAOYSA-N 0 0 382.913 3.718 20 10 GHCDRN CC(C)(C)NC(=O)c1ccc(NC(=O)NCCCSc2nccs2)cc1 ZINC000151622885 875684426 /nfs/dbraw/zinc/68/44/26/875684426.db2.gz SJCMJTRHJKQTAA-UHFFFAOYSA-N 0 0 392.550 3.975 20 10 GHCDRN C[C@@H](NC(=O)NC[C@H](c1ccccc1)C(C)(C)CO)c1ccc(N(C)C)cc1 ZINC000776168356 875686615 /nfs/dbraw/zinc/68/66/15/875686615.db2.gz SUPPMTCCPZPPHM-DYESRHJHSA-N 0 0 383.536 3.915 20 10 GHCDRN C[C@@H](NC(=O)NC[C@@H](c1ccccc1)C(C)(C)CO)c1ccc(N(C)C)cc1 ZINC000776168358 875686995 /nfs/dbraw/zinc/68/69/95/875686995.db2.gz SUPPMTCCPZPPHM-UTKZUKDTSA-N 0 0 383.536 3.915 20 10 GHCDRN Cc1cc(C(=O)CN2CCn3cnnc3C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000106168381 875853554 /nfs/dbraw/zinc/85/35/54/875853554.db2.gz KTNVQLSZJYXGPB-UHFFFAOYSA-N 0 0 377.492 3.508 20 10 GHCDRN C[C@@H](CC1CCCCC1)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000772337501 875896398 /nfs/dbraw/zinc/89/63/98/875896398.db2.gz BQIPQCVQWGYXKA-INIZCTEOSA-N 0 0 377.504 3.820 20 10 GHCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]CCOC1CCC1 ZINC000776222447 875914132 /nfs/dbraw/zinc/91/41/32/875914132.db2.gz GGXQKLXUJIGEJB-UHFFFAOYSA-N 0 0 379.092 3.576 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H](O)c1cc2ccccc2s1 ZINC000151864488 876035461 /nfs/dbraw/zinc/03/54/61/876035461.db2.gz DNXOZZBMDOQBMG-IBGZPJMESA-N 0 0 393.512 3.810 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@H](CCC(N)=O)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000176398390 876050680 /nfs/dbraw/zinc/05/06/80/876050680.db2.gz OXOPUPLJQUMEEZ-LJQANCHMSA-N 0 0 381.520 3.829 20 10 GHCDRN C[C@@H](NC(=O)C1(Cc2ccccc2F)CC1)c1ccc(N2CCOCC2)cc1 ZINC000785542251 876096293 /nfs/dbraw/zinc/09/62/93/876096293.db2.gz ZNFLXISPSSSDIG-QGZVFWFLSA-N 0 0 382.479 3.862 20 10 GHCDRN C[C@H](Cn1cncn1)NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000772670453 876171849 /nfs/dbraw/zinc/17/18/49/876171849.db2.gz WKZJIZHTQFSJOL-OAHLLOKOSA-N 0 0 377.452 3.578 20 10 GHCDRN CCC(CC)n1nc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1C ZINC000776309678 876237896 /nfs/dbraw/zinc/23/78/96/876237896.db2.gz LNOCQGOPGKJDKI-QGZVFWFLSA-N 0 0 384.524 3.880 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)C(=O)N[C@H](c2cccs2)C2CC2)C2CC2)cc1 ZINC000785789424 876245505 /nfs/dbraw/zinc/24/55/05/876245505.db2.gz PUXVXWVHOJVHIO-FQEVSTJZSA-N 0 0 397.544 3.573 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cn(-c2cccc(Cl)c2F)nn1 ZINC000776340630 876298900 /nfs/dbraw/zinc/29/89/00/876298900.db2.gz KEYBYBHWYXCWGP-UHFFFAOYSA-N 0 0 399.857 3.590 20 10 GHCDRN Cc1cc(C)cc([C@H](C)NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000107332857 876337209 /nfs/dbraw/zinc/33/72/09/876337209.db2.gz KQOLBUXAGRUFOO-KRWDZBQOSA-N 0 0 385.483 3.840 20 10 GHCDRN CC[C@](C)(NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000107836587 876406444 /nfs/dbraw/zinc/40/64/44/876406444.db2.gz KRIFLUITQGNTMW-QFIPXVFZSA-N 0 0 385.483 3.787 20 10 GHCDRN COc1cccc(CNC(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)c1O ZINC000786062884 876408230 /nfs/dbraw/zinc/40/82/30/876408230.db2.gz FJFNAGBNPISGCW-UHFFFAOYSA-N 0 0 385.464 3.511 20 10 GHCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]CC[C@H]1CCCOC1 ZINC000529636855 876422638 /nfs/dbraw/zinc/42/26/38/876422638.db2.gz JOQLGKGQBOGCCL-SNVBAGLBSA-N 0 0 393.119 3.824 20 10 GHCDRN CC[C@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)c1ccc(Cl)cc1 ZINC000786038929 876424108 /nfs/dbraw/zinc/42/41/08/876424108.db2.gz PYJIXUFLNUHBMO-IBGZPJMESA-N 0 0 399.922 3.606 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)c3cnc4ccccc4c3O)cc2)CC1 ZINC000108294618 876451413 /nfs/dbraw/zinc/45/14/13/876451413.db2.gz JFZWPOVSGMUFBC-UHFFFAOYSA-N 0 0 375.472 3.694 20 10 GHCDRN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000108295443 876451531 /nfs/dbraw/zinc/45/15/31/876451531.db2.gz HDJYHMGVWDJXQP-TZIWHRDSSA-N 0 0 399.579 3.824 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3cc(Cl)c(Cl)cn3)CC2)cc1F ZINC000786155029 876483144 /nfs/dbraw/zinc/48/31/44/876483144.db2.gz ALLZBYNNSBJCQN-UHFFFAOYSA-N 0 0 399.253 3.890 20 10 GHCDRN CCOc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108616622 876496717 /nfs/dbraw/zinc/49/67/17/876496717.db2.gz TVKJGZXVMJSCJD-UHFFFAOYSA-N 0 0 395.503 3.577 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)Cc2ccc3ccccc3c2)cc1 ZINC000007095463 876525073 /nfs/dbraw/zinc/52/50/73/876525073.db2.gz QMVUXGGRNILFAD-UHFFFAOYSA-N 0 0 390.483 3.650 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NCc3cccc4cc[nH]c43)CC2)cc1 ZINC000786259986 876557775 /nfs/dbraw/zinc/55/77/75/876557775.db2.gz TZNGWGROJVPSFW-UHFFFAOYSA-N 0 0 378.476 3.598 20 10 GHCDRN Cc1occc1-c1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)no1 ZINC000786217109 876564563 /nfs/dbraw/zinc/56/45/63/876564563.db2.gz HMGMYFOTSPKGRZ-UHFFFAOYSA-N 0 0 396.447 3.744 20 10 GHCDRN COc1cc(CNc2cccc(C3CC(=O)NC(=O)C3)c2)c(O)c(C(C)(C)C)c1 ZINC000850315462 876806217 /nfs/dbraw/zinc/80/62/17/876806217.db2.gz CTOSAUDBAMTQFE-UHFFFAOYSA-N 0 0 396.487 3.831 20 10 GHCDRN Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])c1 ZINC000786574845 876806484 /nfs/dbraw/zinc/80/64/84/876806484.db2.gz HCVDZPUTWKERLE-SWLSCSKDSA-N 0 0 382.273 3.856 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)c1 ZINC000850385153 876871144 /nfs/dbraw/zinc/87/11/44/876871144.db2.gz YVLGCVHQBOEYIR-WMLDXEAASA-N 0 0 378.314 3.698 20 10 GHCDRN Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cncc3c2CCCC3)cc1 ZINC000850423193 876906239 /nfs/dbraw/zinc/90/62/39/876906239.db2.gz PTUNMAJVPPJJOX-UHFFFAOYSA-N 0 0 392.503 3.705 20 10 GHCDRN CO[C@H](CCNC(=O)NCc1ccc(N2CCC(C)CC2)cc1)C(F)(F)F ZINC000786762084 876915885 /nfs/dbraw/zinc/91/58/85/876915885.db2.gz SBISGCJUILWFEO-QGZVFWFLSA-N 0 0 387.446 3.690 20 10 GHCDRN C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1cc(Br)cc(Br)c1[O-] ZINC000850516540 876987147 /nfs/dbraw/zinc/98/71/47/876987147.db2.gz MOVHKFNULRBIOO-BDAKNGLRSA-N 0 0 393.119 3.729 20 10 GHCDRN Cc1cc(CCNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc(C)c1O ZINC000786869614 876991843 /nfs/dbraw/zinc/99/18/43/876991843.db2.gz CPNLDWMRTVZQFH-UHFFFAOYSA-N 0 0 381.520 3.992 20 10 GHCDRN C[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)c1cc(Br)c(F)cc1[O-] ZINC000786936594 877065917 /nfs/dbraw/zinc/06/59/17/877065917.db2.gz GCSLMQNOFLZYID-LLVKDONJSA-N 0 0 391.244 3.725 20 10 GHCDRN C[C@@H](NCc1ncnn1-c1ccccc1)c1ccc(N2CCOCC2)cc1Cl ZINC000786939242 877067157 /nfs/dbraw/zinc/06/71/57/877067157.db2.gz PHCZBKZHAKGFQH-MRXNPFEDSA-N 0 0 397.910 3.608 20 10 GHCDRN COc1ncc(/C=C/C(=O)N2CCCc3cc(C)cc(Br)c32)cn1 ZINC001129684888 883094712 /nfs/dbraw/zinc/09/47/12/883094712.db2.gz PCMGTWBBAXCWIK-AATRIKPKSA-N 0 0 388.265 3.549 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cc2cc(C)ccc2o1 ZINC000850653996 877088505 /nfs/dbraw/zinc/08/85/05/877088505.db2.gz WBRLHTZBCKOONP-UHFFFAOYSA-N 0 0 394.471 3.892 20 10 GHCDRN Cc1cc(C(=O)NCCn2cnnc2C(C)C)c(C)n1-c1cccc(Cl)c1 ZINC000152179627 877147616 /nfs/dbraw/zinc/14/76/16/877147616.db2.gz BTXDAPQMHIIYJO-UHFFFAOYSA-N 0 0 385.899 3.892 20 10 GHCDRN Cc1cc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)ccc1N ZINC000850780980 877170476 /nfs/dbraw/zinc/17/04/76/877170476.db2.gz NYRNWXSGEJIIIQ-GASCZTMLSA-N 0 0 386.471 3.652 20 10 GHCDRN Cc1cc(CC(=O)N2C[C@H](C)NC(=O)c3ccccc32)c(C)n1-c1ccccc1 ZINC001127565569 877181618 /nfs/dbraw/zinc/18/16/18/877181618.db2.gz VSAHALXZRYQXBI-INIZCTEOSA-N 0 0 387.483 3.802 20 10 GHCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000787218126 877230746 /nfs/dbraw/zinc/23/07/46/877230746.db2.gz KRZXYHSAJIOGOJ-BHIYHBOVSA-N 0 0 380.488 3.774 20 10 GHCDRN Cc1ccc(CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(C)c1 ZINC000787298924 877301321 /nfs/dbraw/zinc/30/13/21/877301321.db2.gz OZMCLFGTLHZBAM-UHFFFAOYSA-N 0 0 393.531 3.569 20 10 GHCDRN O=C(NCc1cnn(Cc2ccccc2)c1)NCc1c(O)ccc2c1CCCC2 ZINC000175602228 877348533 /nfs/dbraw/zinc/34/85/33/877348533.db2.gz URRBGQVRKAYHSF-UHFFFAOYSA-N 0 0 390.487 3.515 20 10 GHCDRN Cc1cn2ccnc(C(=O)N(Cc3ccco3)Cc3ccc(N(C)C)cc3)c2n1 ZINC000761478692 877355634 /nfs/dbraw/zinc/35/56/34/877355634.db2.gz VKEZTDJRLRLXSC-UHFFFAOYSA-N 0 0 389.459 3.539 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)C3(OC)CCC(F)(F)CC3)C2)cc1 ZINC000851098578 877404407 /nfs/dbraw/zinc/40/44/07/877404407.db2.gz HECZVABZUQTRMU-HNNXBMFYSA-N 0 0 383.435 3.659 20 10 GHCDRN COc1ccc([C@@H]2C[C@H]2C(=O)OC[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000851098214 877404886 /nfs/dbraw/zinc/40/48/86/877404886.db2.gz DGUJAHLGDUNTRP-WQTXXOFMSA-N 0 0 381.472 3.877 20 10 GHCDRN COc1ccc(N(C[C@H](O)COc2ccc(NC(C)=O)cc2)[C@H](C)C2CC2)cc1 ZINC000109773941 877430919 /nfs/dbraw/zinc/43/09/19/877430919.db2.gz IPTFLOUFTSVSTH-IERDGZPVSA-N 0 0 398.503 3.698 20 10 GHCDRN CN(C)c1ccc(/C=C\CN2CC(O)(c3cccc(Br)c3)C2)cc1 ZINC001183082970 912236916 /nfs/dbraw/zinc/23/69/16/912236916.db2.gz BACAVFJUQUHHJX-PLNGDYQASA-N 0 0 387.321 3.732 20 10 GHCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000152269407 877523000 /nfs/dbraw/zinc/52/30/00/877523000.db2.gz PUQNNGZGNDUPHK-AUUYWEPGSA-N 0 0 393.418 3.992 20 10 GHCDRN O=C(COC(=O)c1cccc(COc2cccc(F)c2)c1)c1ccc(O)c(O)c1 ZINC000783673828 877540581 /nfs/dbraw/zinc/54/05/81/877540581.db2.gz ONQYRWGJZLVJBB-UHFFFAOYSA-N 0 0 396.370 3.856 20 10 GHCDRN Cc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1C(=O)N1CCCCC1 ZINC000787682083 877551863 /nfs/dbraw/zinc/55/18/63/877551863.db2.gz VLMRYVBTTRMVFT-JXMROGBWSA-N 0 0 380.444 3.684 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCCc1nnc(-c2ccccc2)o1 ZINC000173199282 877601689 /nfs/dbraw/zinc/60/16/89/877601689.db2.gz AZMKYJWKQUHCDV-UHFFFAOYSA-N 0 0 392.459 3.551 20 10 GHCDRN Cc1nc2c(cnn2-c2ccccc2)c(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000746721246 877732872 /nfs/dbraw/zinc/73/28/72/877732872.db2.gz JQXRWUMCAHCBHQ-UHFFFAOYSA-N 0 0 376.439 3.941 20 10 GHCDRN Cc1cc(C(=O)Oc2cccc(C(=O)N3CCCC3)c2)c(C)n1-c1ccccn1 ZINC000851569651 877803529 /nfs/dbraw/zinc/80/35/29/877803529.db2.gz JALVVWDZRPBONV-UHFFFAOYSA-N 0 0 389.455 3.944 20 10 GHCDRN CO[C@@H](CN(Cc1cccs1)c1ccc2c(c1)OCCO2)[C@@H]1CCOC1 ZINC000851835635 877932778 /nfs/dbraw/zinc/93/27/78/877932778.db2.gz CBOUHDDGAZTGLI-QRWLVFNGSA-N 0 0 375.490 3.577 20 10 GHCDRN COc1ccc([C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C2CC2)cc1 ZINC000851928950 877982377 /nfs/dbraw/zinc/98/23/77/877982377.db2.gz DIRZCOVFWRDXTB-PGRDOPGGSA-N 0 0 395.503 3.733 20 10 GHCDRN Cc1cc(C(=O)CN(C)CCCCO)c(C)n1-c1ccc(Br)cc1 ZINC000788280738 877991117 /nfs/dbraw/zinc/99/11/17/877991117.db2.gz YXQPCKKIZZOVRA-UHFFFAOYSA-N 0 0 393.325 3.744 20 10 GHCDRN C[C@@H](NC(=O)NCC(C)(C)CC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000852012380 878031469 /nfs/dbraw/zinc/03/14/69/878031469.db2.gz JGVCFRPEVNAIFG-CQSZACIVSA-N 0 0 387.446 3.862 20 10 GHCDRN COC(=O)[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccsc1 ZINC000788401794 878064048 /nfs/dbraw/zinc/06/40/48/878064048.db2.gz SXZSEVNCFJRBJU-YOEHRIQHSA-N 0 0 396.459 3.822 20 10 GHCDRN Cc1cc(C(=O)N2CCCN(C(=O)C(C)C)CC2)c(C)n1-c1ccccc1C ZINC000068190019 878064968 /nfs/dbraw/zinc/06/49/68/878064968.db2.gz ZGIIZQQDEDRODB-UHFFFAOYSA-N 0 0 381.520 3.733 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)c3nc4ccccc4s3)C2)cc1 ZINC000852111564 878079568 /nfs/dbraw/zinc/07/95/68/878079568.db2.gz HPQSBZWMHXUBLR-CABCVRRESA-N 0 0 396.516 3.944 20 10 GHCDRN C[NH+](C)[C@H]1CCOc2c(NCc3cc(Cl)cc([N+](=O)[O-])c3[O-])cccc21 ZINC000788532729 878163536 /nfs/dbraw/zinc/16/35/36/878163536.db2.gz TZQOWMKWDAHPLC-HNNXBMFYSA-N 0 0 377.828 3.951 20 10 GHCDRN COc1ccc(C(=O)NCC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])cc1 ZINC000788643683 878204163 /nfs/dbraw/zinc/20/41/63/878204163.db2.gz QGUDEVHBEOIRHV-GFCCVEGCSA-N 0 0 382.382 3.500 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3C[C@H](c4ccccc4F)C3)C2)cc1 ZINC000852302847 878217106 /nfs/dbraw/zinc/21/71/06/878217106.db2.gz PVIRGILDJFPBLY-BRWVUGGUSA-N 0 0 383.467 3.658 20 10 GHCDRN C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000746757420 878248233 /nfs/dbraw/zinc/24/82/33/878248233.db2.gz WQXDWZDIGYHLNO-DENIHFKCSA-N 0 0 393.531 3.686 20 10 GHCDRN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1nccn1CC(F)(F)F ZINC000068274304 878249470 /nfs/dbraw/zinc/24/94/70/878249470.db2.gz DPBWCCPZDMTLAE-YRNVUSSQSA-N 0 0 380.395 3.778 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000852385123 878291952 /nfs/dbraw/zinc/29/19/52/878291952.db2.gz KQXIDSCQKBRHMJ-OFAXGOBFSA-N 0 0 385.552 3.594 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)NCc3ccc4occc4c3)C2)cc1 ZINC000852386340 878293381 /nfs/dbraw/zinc/29/33/81/878293381.db2.gz CBPRQBIJXNURIM-KRWDZBQOSA-N 0 0 379.460 3.767 20 10 GHCDRN C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1cccc(C(F)(F)F)c1[O-] ZINC000788761387 878298509 /nfs/dbraw/zinc/29/85/09/878298509.db2.gz ZGSPLZPPSJVHNB-SECBINFHSA-N 0 0 379.425 3.727 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc2c(c1)CCCN2C ZINC000068313921 878298869 /nfs/dbraw/zinc/29/88/69/878298869.db2.gz WPXJSMHXZGFPBA-UHFFFAOYSA-N 0 0 394.519 3.570 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)C3CCC(F)(F)CC3)C2)cc1 ZINC000852405422 878302024 /nfs/dbraw/zinc/30/20/24/878302024.db2.gz XPSSEPNFOGGSGU-GDBMZVCRSA-N 0 0 381.467 3.787 20 10 GHCDRN CO[C@]1(CO)CCCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000852410352 878303232 /nfs/dbraw/zinc/30/32/32/878303232.db2.gz BHQKWNNAZJAGCV-OAQYLSRUSA-N 0 0 382.464 3.514 20 10 GHCDRN CCCOc1ccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000788746483 878318624 /nfs/dbraw/zinc/31/86/24/878318624.db2.gz HEYWSOJMBXNUMC-UHFFFAOYSA-N 0 0 397.519 3.620 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCC[C@@H](C(F)(F)F)C3)C2)cc1 ZINC000852455263 878335161 /nfs/dbraw/zinc/33/51/61/878335161.db2.gz TYQZCBFMVZIUNE-XHSDSOJGSA-N 0 0 399.457 3.942 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H]3c3ccccc3OC)C2)cc1 ZINC000852455145 878335327 /nfs/dbraw/zinc/33/53/27/878335327.db2.gz RUCNANJXGQNSSF-UWJYYQICSA-N 0 0 395.503 3.829 20 10 GHCDRN Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cccc(C(F)(F)F)c3[O-])C2)n(C)n1 ZINC000788777786 878340314 /nfs/dbraw/zinc/34/03/14/878340314.db2.gz VUNACXUIQYHHJO-KBPBESRZSA-N 0 0 382.430 3.773 20 10 GHCDRN O=C(NCc1ccc2occc2c1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000852491126 878374934 /nfs/dbraw/zinc/37/49/34/878374934.db2.gz YQVAXWWVUVWKFC-UHFFFAOYSA-N 0 0 397.450 3.532 20 10 GHCDRN O=C(CN1CC[C@@H]2NC(=O)CC[C@H]2C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000852497961 878377075 /nfs/dbraw/zinc/37/70/75/878377075.db2.gz YHAFNIYXGJUNLS-JXFKEZNVSA-N 0 0 391.475 3.641 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)COc2c(F)cccc2F)c1 ZINC000852537994 878408877 /nfs/dbraw/zinc/40/88/77/878408877.db2.gz DMRJJGSWVIEBTO-NEPJUHHUSA-N 0 0 380.391 3.507 20 10 GHCDRN COc1ccc(CNC(=O)NCc2sc(C)cc2Br)c(O)c1 ZINC000852588068 878443901 /nfs/dbraw/zinc/44/39/01/878443901.db2.gz NTKXEDFYZYJONO-UHFFFAOYSA-N 0 0 385.283 3.533 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)cc1 ZINC000852593968 878447881 /nfs/dbraw/zinc/44/78/81/878447881.db2.gz PZSKCFPZFQATSN-IFMALSPDSA-N 0 0 397.567 3.819 20 10 GHCDRN CC[C@@H](NCc1cc(Cl)cc(C(C)=O)c1O)c1nnc2n1CCCCC2 ZINC000852627692 878478411 /nfs/dbraw/zinc/47/84/11/878478411.db2.gz HMCSRBUHGDZRGJ-MRXNPFEDSA-N 0 0 376.888 3.807 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)N[C@H](C)C3CCC(F)CC3)CC2)cc1 ZINC000852632799 878484811 /nfs/dbraw/zinc/48/48/11/878484811.db2.gz HQTUEKPMGIAWSK-WWDZGPRUSA-N 0 0 377.504 3.834 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)C(C)(C)c2ccccc2)cc1 ZINC000788976976 878523255 /nfs/dbraw/zinc/52/32/55/878523255.db2.gz DZQPWUATQZZQGZ-GOSISDBHSA-N 0 0 395.547 3.632 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC(C)(C)CC(F)(F)F ZINC000852725342 878550929 /nfs/dbraw/zinc/55/09/29/878550929.db2.gz BZJDOIXGGZRANN-UHFFFAOYSA-N 0 0 387.446 3.643 20 10 GHCDRN COc1c(F)cc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1F ZINC000068484314 878615540 /nfs/dbraw/zinc/61/55/40/878615540.db2.gz LFCXCGAIOPTKNU-CYBMUJFWSA-N 0 0 391.418 3.693 20 10 GHCDRN COc1cccc(CNC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)c1O ZINC000068488634 878631251 /nfs/dbraw/zinc/63/12/51/878631251.db2.gz WCMLOMJAOKCMDP-UHFFFAOYSA-N 0 0 385.851 3.787 20 10 GHCDRN COc1cccc2cc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)oc21 ZINC000068513264 878656499 /nfs/dbraw/zinc/65/64/99/878656499.db2.gz ZOKZOZKBMDPFEQ-HNNXBMFYSA-N 0 0 380.444 3.769 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2cccc(Br)c2)c1 ZINC000170880190 878705673 /nfs/dbraw/zinc/70/56/73/878705673.db2.gz AYGSFJLZWYSDFN-LLVKDONJSA-N 0 0 379.254 3.724 20 10 GHCDRN C[C@@H](NC(=O)N(C)[C@H]1CCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000068549744 878727439 /nfs/dbraw/zinc/72/74/39/878727439.db2.gz QBKPBMCUQMEPQC-VGSWGCGISA-N 0 0 379.504 3.913 20 10 GHCDRN C[C@H](NC(=O)N1CCC[C@@H]1c1ccccn1)c1ccc(N2CCOCC2)cc1 ZINC000068549104 878727649 /nfs/dbraw/zinc/72/76/49/878727649.db2.gz XTDDCNULEGAGDY-LAUBAEHRSA-N 0 0 380.492 3.526 20 10 GHCDRN OC1CCN(c2ccc(CNC(=S)Nc3ccc(F)c(Cl)c3)cc2)CC1 ZINC000853040942 878765493 /nfs/dbraw/zinc/76/54/93/878765493.db2.gz NCVFWKYCDBUKDV-UHFFFAOYSA-N 0 0 393.915 3.927 20 10 GHCDRN CC(C)c1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n(-c2ncccn2)n1 ZINC000789258157 878775217 /nfs/dbraw/zinc/77/52/17/878775217.db2.gz NUGUILRIBVXISS-OAHLLOKOSA-N 0 0 393.495 3.734 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@H](C3OCCO3)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000111078639 878793891 /nfs/dbraw/zinc/79/38/91/878793891.db2.gz GSCIFNRJLDTBOT-INIZCTEOSA-N 0 0 388.895 3.973 20 10 GHCDRN Cc1cc(Cc2nc([C@@H]3CC(=O)N(CC4CC4)C3)no2)c(C)n1-c1ccccc1 ZINC000853082696 878803162 /nfs/dbraw/zinc/80/31/62/878803162.db2.gz UHDABCZMQBVEIR-LJQANCHMSA-N 0 0 390.487 3.794 20 10 GHCDRN COc1ccc(N2CCCN(c3nc(C)nc(C)c3Br)CC2)cc1 ZINC000853216070 878900372 /nfs/dbraw/zinc/90/03/72/878900372.db2.gz ZXINQADPXIVMFV-UHFFFAOYSA-N 0 0 391.313 3.581 20 10 GHCDRN Cc1c(C(=O)NCc2ccc(N(C)C)c(F)c2)cnn1-c1ccc(Cl)cc1 ZINC000746802931 878915242 /nfs/dbraw/zinc/91/52/42/878915242.db2.gz FGLUVQKTDWZAKL-UHFFFAOYSA-N 0 0 386.858 3.969 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCc3ccccc3-n3ccnc32)c1 ZINC000853240909 878925089 /nfs/dbraw/zinc/92/50/89/878925089.db2.gz JNFIDFBOJJLJGF-KBXCAEBGSA-N 0 0 377.444 3.703 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCc3ccccc3-n3ccnc32)c1 ZINC000853240913 878925434 /nfs/dbraw/zinc/92/54/34/878925434.db2.gz JNFIDFBOJJLJGF-KSSFIOAISA-N 0 0 377.444 3.703 20 10 GHCDRN Cc1ccc(-n2cccn2)cc1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000789405655 878952071 /nfs/dbraw/zinc/95/20/71/878952071.db2.gz MGNAQROGFNQISK-UHFFFAOYSA-N 0 0 375.476 3.885 20 10 GHCDRN CN(CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)Cc1ccccc1O ZINC000111236282 878961181 /nfs/dbraw/zinc/96/11/81/878961181.db2.gz DHPHTSDHDHESAF-UHFFFAOYSA-N 0 0 382.460 3.894 20 10 GHCDRN CC(C)(C)[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)CCO1 ZINC000763480251 879027233 /nfs/dbraw/zinc/02/72/33/879027233.db2.gz ZYVWAWRNRSOTDQ-IEBWSBKVSA-N 0 0 391.581 3.633 20 10 GHCDRN Cc1cc(CCNC(=O)CCc2nnc(C(C)C)o2)c(C)n1-c1ccccc1 ZINC000746826005 879039914 /nfs/dbraw/zinc/03/99/14/879039914.db2.gz VKXXRLXSGYQKBQ-UHFFFAOYSA-N 0 0 380.492 3.892 20 10 GHCDRN COCC1(C2CCC2)CN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000853704302 879232386 /nfs/dbraw/zinc/23/23/86/879232386.db2.gz GCBZKTRIMGHOOV-UHFFFAOYSA-N 0 0 385.552 3.881 20 10 GHCDRN COc1ccc(N2CC[C@H](Nc3ncc([N+](=O)[O-])cc3C(F)(F)F)C2)cc1 ZINC000853759929 879266061 /nfs/dbraw/zinc/26/60/61/879266061.db2.gz DWGYBUATPRGVBF-NSHDSACASA-N 0 0 382.342 3.708 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H](c1cccs1)C1(CO)CCC1 ZINC000853775868 879276958 /nfs/dbraw/zinc/27/69/58/879276958.db2.gz FGQMFRCRLSREQD-HXUWFJFHSA-N 0 0 397.544 3.827 20 10 GHCDRN COC(=O)/C=C/c1ccc(N2CC3(CCOCC3)[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000853819281 879306677 /nfs/dbraw/zinc/30/66/77/879306677.db2.gz PJWKHUXFAIYHSP-CYXJOQHWSA-N 0 0 398.415 3.732 20 10 GHCDRN Cc1cc(C(=O)NCC(C)C)ccc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000789889555 879315504 /nfs/dbraw/zinc/31/55/04/879315504.db2.gz IGKQXHBPBQYFJF-UHFFFAOYSA-N 0 0 399.510 3.969 20 10 GHCDRN CCOC1(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3C)c2C)CCOCC1 ZINC000853947216 879393300 /nfs/dbraw/zinc/39/33/00/879393300.db2.gz XISNYTOATIJJKZ-UHFFFAOYSA-N 0 0 399.487 3.714 20 10 GHCDRN Cc1cc(NCc2ccc(N3CCC(O)CC3)cc2)ncc1Br ZINC000853955563 879398046 /nfs/dbraw/zinc/39/80/46/879398046.db2.gz RUVSEOFCSLNIML-UHFFFAOYSA-N 0 0 376.298 3.726 20 10 GHCDRN OC1CCN(c2ccc(CNc3cncc(OC4CCCCC4)n3)cc2)CC1 ZINC000853955489 879398341 /nfs/dbraw/zinc/39/83/41/879398341.db2.gz PINIHXIWKCVLGP-UHFFFAOYSA-N 0 0 382.508 3.761 20 10 GHCDRN Cc1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c(Cl)n1 ZINC000790010413 879399791 /nfs/dbraw/zinc/39/97/91/879399791.db2.gz GQLOTSGKOWEBOX-UHFFFAOYSA-N 0 0 381.929 3.709 20 10 GHCDRN COC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccsc3)C2=O)cc1 ZINC000790107006 879444433 /nfs/dbraw/zinc/44/44/33/879444433.db2.gz AEXLLOAXULREEV-RIYZIHGNSA-N 0 0 391.495 3.706 20 10 GHCDRN COCCC1CN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1 ZINC000854039323 879467608 /nfs/dbraw/zinc/46/76/08/879467608.db2.gz MDROMIVFZVNHIX-HNNXBMFYSA-N 0 0 379.932 3.754 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccccc1OCC1CC1 ZINC000152615801 879485525 /nfs/dbraw/zinc/48/55/25/879485525.db2.gz AJOOVGITTSEKHM-UHFFFAOYSA-N 0 0 395.503 3.976 20 10 GHCDRN C[C@@H]1CCSCCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000790283817 879568242 /nfs/dbraw/zinc/56/82/42/879568242.db2.gz KMJUCHVQYQDCSF-CQSZACIVSA-N 0 0 399.507 3.794 20 10 GHCDRN CN(C)c1ccc(CNC(=O)c2sc(N3CCCC3)nc2Cl)cc1F ZINC000746889863 879589424 /nfs/dbraw/zinc/58/94/24/879589424.db2.gz HDBQSVQBHJIQBF-UHFFFAOYSA-N 0 0 382.892 3.532 20 10 GHCDRN COc1cc(Cl)c(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)cc1OC ZINC000790346824 879615169 /nfs/dbraw/zinc/61/51/69/879615169.db2.gz TYJZJBNOOQEIIW-UHFFFAOYSA-N 0 0 385.869 3.789 20 10 GHCDRN C[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CC2CCC1CC2 ZINC000854224460 879643355 /nfs/dbraw/zinc/64/33/55/879643355.db2.gz XOZFLXJTDUXONV-RNWZBDIASA-N 0 0 385.552 3.662 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)NCCc2noc3ccccc23)C2CC2)cc1 ZINC000854265251 879676562 /nfs/dbraw/zinc/67/65/62/879676562.db2.gz JUHTVFYAMBKSAF-UHFFFAOYSA-N 0 0 378.476 3.811 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N(Cc3ccccc3OC)C3CC3)C2)cc1 ZINC000854300906 879704667 /nfs/dbraw/zinc/70/46/67/879704667.db2.gz DAKAURQMKZMQPS-GOSISDBHSA-N 0 0 395.503 3.657 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCc4nc[nH]c4C3)cc2Cl)C1 ZINC000854343361 879740617 /nfs/dbraw/zinc/74/06/17/879740617.db2.gz DKWIOCYUFBDZOX-HOCLYGCPSA-N 0 0 386.927 3.721 20 10 GHCDRN CC[C@H](Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1)c1ccc(F)cc1O ZINC000285897947 912491408 /nfs/dbraw/zinc/49/14/08/912491408.db2.gz BFUUITRWWKIGRG-UGSOOPFHSA-N 0 0 383.427 3.886 20 10 GHCDRN CC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(O)c3O)n2)c(F)c1 ZINC000790488683 879759857 /nfs/dbraw/zinc/75/98/57/879759857.db2.gz OXTFXRRAIOOPMT-UHFFFAOYSA-N 0 0 387.392 3.571 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cc([C@@H]2CCCOC2)nn1C ZINC000790550650 879806410 /nfs/dbraw/zinc/80/64/10/879806410.db2.gz DVEIXXIKOBZHGX-GOSISDBHSA-N 0 0 399.539 3.823 20 10 GHCDRN C[C@H](NC(=O)Nc1cnn(C2CCCC2)c1)c1ccc(N2CCOCC2)cc1 ZINC000914400600 879823582 /nfs/dbraw/zinc/82/35/82/879823582.db2.gz PJCGGOONSNUPMJ-INIZCTEOSA-N 0 0 383.496 3.718 20 10 GHCDRN O=C(Nc1ccc(Cl)cn1)c1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC000790667445 879897471 /nfs/dbraw/zinc/89/74/71/879897471.db2.gz AUKUKKFHLXAUJZ-UHFFFAOYSA-N 0 0 383.791 3.651 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCC(c3c[nH]nc3C)CC2)cc1F ZINC000790714644 879948491 /nfs/dbraw/zinc/94/84/91/879948491.db2.gz PARKLWNQGTXBJU-UHFFFAOYSA-N 0 0 387.503 3.793 20 10 GHCDRN CC(=O)N(C)C1CCN(CC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)CC1 ZINC000112544465 880010486 /nfs/dbraw/zinc/01/04/86/880010486.db2.gz NTPLYESXWYQONJ-UHFFFAOYSA-N 0 0 399.510 3.667 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cccc(OC)c3OC(C)C)C2)cc1 ZINC000854981421 880195512 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ZINC001183765999 912776941 /nfs/dbraw/zinc/77/69/41/912776941.db2.gz ZMHKANIHBYASPI-GOSISDBHSA-N 0 0 396.487 3.585 20 10 GHCDRN CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001275236237 912779369 /nfs/dbraw/zinc/77/93/69/912779369.db2.gz MTSGGOOJQIBZRH-BLVKFPJESA-N 0 0 399.318 3.634 20 10 GHCDRN COc1cccc(-c2nc(C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)no2)c1 ZINC000760419321 884069402 /nfs/dbraw/zinc/06/94/02/884069402.db2.gz AIVPNPBWRHXYDL-UHFFFAOYSA-N 0 0 394.475 3.862 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 ZINC000918625203 884071200 /nfs/dbraw/zinc/07/12/00/884071200.db2.gz URCVKNOYJODEPJ-UHFFFAOYSA-N 0 0 396.491 3.971 20 10 GHCDRN COC(=O)COc1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c(C)c1 ZINC000918668354 884112908 /nfs/dbraw/zinc/11/29/08/884112908.db2.gz XNRGVHNXKXRTKH-UHFFFAOYSA-N 0 0 393.443 3.602 20 10 GHCDRN O=C(CCc1nnc(C2CCCC2)o1)NCc1ccc(N2CCCCC2)cc1 ZINC000760461602 884127119 /nfs/dbraw/zinc/12/71/19/884127119.db2.gz BIGZOUYRGAUFDS-UHFFFAOYSA-N 0 0 382.508 3.967 20 10 GHCDRN COc1ccc(N2CCN(C(=O)CNc3ccccc3SC(C)C)CC2)cc1 ZINC000760461316 884127251 /nfs/dbraw/zinc/12/72/51/884127251.db2.gz NBJLKNTVVXTPHG-UHFFFAOYSA-N 0 0 399.560 3.956 20 10 GHCDRN CC(=O)NCC[C@@H]1CCCN(CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)C1 ZINC000805824967 884137464 /nfs/dbraw/zinc/13/74/64/884137464.db2.gz IOMCCOCDLXTPHJ-NRFANRHFSA-N 0 0 395.547 3.823 20 10 GHCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)C1=Cc2cc(F)ccc2OC1 ZINC000761764202 884143396 /nfs/dbraw/zinc/14/33/96/884143396.db2.gz AUDLIJRQICRPQA-UHFFFAOYSA-N 0 0 386.386 3.950 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](c1ccccc1C)C(C)C ZINC000805878087 884170834 /nfs/dbraw/zinc/17/08/34/884170834.db2.gz CPITXUFJZCYYFY-QFIPXVFZSA-N 0 0 395.547 3.923 20 10 GHCDRN Cc1cc(CC(=O)NC[C@H](C)Cn2cccn2)c(C)n1-c1ccc(Cl)cc1 ZINC000918701452 884190637 /nfs/dbraw/zinc/19/06/37/884190637.db2.gz ASLOLLKCVNLCCL-HNNXBMFYSA-N 0 0 384.911 3.939 20 10 GHCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@@H]3c3ccc(F)cc3)CC2)cc1F ZINC000859965945 884217913 /nfs/dbraw/zinc/21/79/13/884217913.db2.gz KSXQJLKNMZKACQ-RTBURBONSA-N 0 0 386.442 3.816 20 10 GHCDRN CCCc1c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cnn1-c1ccc(C)cc1 ZINC000760493510 884232517 /nfs/dbraw/zinc/23/25/17/884232517.db2.gz YRUZOQVKMSVLLF-INIZCTEOSA-N 0 0 393.487 3.905 20 10 GHCDRN Nc1ccc(CCNC(=O)NC2(Cc3ccccc3Br)CC2)cc1 ZINC000841955759 884307504 /nfs/dbraw/zinc/30/75/04/884307504.db2.gz MIBOSOKXTNKGSB-UHFFFAOYSA-N 0 0 388.309 3.648 20 10 GHCDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1 ZINC000914613916 884350769 /nfs/dbraw/zinc/35/07/69/884350769.db2.gz WAZVJGCCOQHJRM-MRXNPFEDSA-N 0 0 393.443 3.682 20 10 GHCDRN CSc1nc(-c2ccco2)nc(C)c1C(=O)NCc1ccc(N(C)C)cc1 ZINC000123223803 912814882 /nfs/dbraw/zinc/81/48/82/912814882.db2.gz FBXFYGXSLSXFIQ-UHFFFAOYSA-N 0 0 382.489 3.763 20 10 GHCDRN COC[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1F ZINC000806133257 884354156 /nfs/dbraw/zinc/35/41/56/884354156.db2.gz KJQHJYXMAZPVJP-LJQANCHMSA-N 0 0 378.875 3.793 20 10 GHCDRN COC(=O)Nc1cccc(NC(=O)NCc2cc(Br)ccc2O)c1 ZINC000806216415 884472758 /nfs/dbraw/zinc/47/27/58/884472758.db2.gz YOQHKJLFWKONKF-UHFFFAOYSA-N 0 0 394.225 3.655 20 10 GHCDRN Cc1cc(CCNC(=O)c2cnn(-c3ccccn3)c2C)c(C)n1-c1ccccc1 ZINC000914720349 884602628 /nfs/dbraw/zinc/60/26/28/884602628.db2.gz ZURPIZMZDFSQGE-UHFFFAOYSA-N 0 0 399.498 3.956 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N(C)CCc2nccs2)ccc1C ZINC000860385850 884622390 /nfs/dbraw/zinc/62/23/90/884622390.db2.gz KMMYTQGFSCRMJO-UHFFFAOYSA-N 0 0 381.501 3.986 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)Nc1ncn(C2CCCCC2)n1 ZINC000806413005 884652062 /nfs/dbraw/zinc/65/20/62/884652062.db2.gz XWUXOLHWICOUIP-UHFFFAOYSA-N 0 0 394.273 3.573 20 10 GHCDRN COc1cccnc1CC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000806425968 884663107 /nfs/dbraw/zinc/66/31/07/884663107.db2.gz UAJUYOOGFCVKOG-UHFFFAOYSA-N 0 0 379.460 3.521 20 10 GHCDRN Cc1cc(NC(=O)NCc2cc(Br)ccc2O)ccc1[N+](=O)[O-] ZINC000806395019 884677684 /nfs/dbraw/zinc/67/76/84/884677684.db2.gz FJVHEYUDBAXEMN-UHFFFAOYSA-N 0 0 380.198 3.693 20 10 GHCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(Br)c([N+](=O)[O-])c1 ZINC000008117801 884716044 /nfs/dbraw/zinc/71/60/44/884716044.db2.gz FTOLDXBILPDZMZ-LCYFTJDESA-N 0 0 396.266 3.814 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)c1 ZINC000860502540 884745659 /nfs/dbraw/zinc/74/56/59/884745659.db2.gz XWWCIQSCVZUPMG-UHFFFAOYSA-N 0 0 381.476 3.894 20 10 GHCDRN Cc1cc(C(=O)Cn2cnc(Cl)n2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000806577063 884833198 /nfs/dbraw/zinc/83/31/98/884833198.db2.gz PVOLZDKUGAASJB-UHFFFAOYSA-N 0 0 380.782 3.823 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCC2([C@H](C)CCO)CCC2)cc1 ZINC000860610691 884846801 /nfs/dbraw/zinc/84/68/01/884846801.db2.gz ZGVUQEBYZCRHMN-QGZVFWFLSA-N 0 0 396.531 3.754 20 10 GHCDRN Cc1ccccc1[C@H](O)C1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000806634337 884887215 /nfs/dbraw/zinc/88/72/15/884887215.db2.gz JTPRIJIFEAIJLP-JOCHJYFZSA-N 0 0 399.510 3.855 20 10 GHCDRN CC[C@H]([NH2+][C@@H](CCSC)C(=O)N(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806663194 884921412 /nfs/dbraw/zinc/92/14/12/884921412.db2.gz UBNFNFBXOCCTCY-KBPBESRZSA-N 0 0 379.353 3.950 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC[C@H](OC(F)F)C2)c1 ZINC000860703616 884929699 /nfs/dbraw/zinc/92/96/99/884929699.db2.gz XKVNFSKEYXTOAT-SFHVURJKSA-N 0 0 376.403 3.750 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)NC[C@H]1CCc2ccccc21 ZINC000806784572 884981602 /nfs/dbraw/zinc/98/16/02/884981602.db2.gz YVHCLFCZTIFBCG-CYBMUJFWSA-N 0 0 375.266 3.684 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cnc2c(Cl)cccc2c1O ZINC001299477725 912884415 /nfs/dbraw/zinc/88/44/15/912884415.db2.gz GLYBIEBGNAMYCY-AWEZNQCLSA-N 0 0 397.906 3.917 20 10 GHCDRN COc1ccc(S[C@@H](C)C(=O)N(C)CCN(C)c2ccc(OC)cc2)cc1 ZINC001130745432 884985973 /nfs/dbraw/zinc/98/59/73/884985973.db2.gz WMEDFHPMQILAMU-INIZCTEOSA-N 0 0 388.533 3.779 20 10 GHCDRN CCc1c(C(=O)OCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)cnn1C ZINC000919172230 885025372 /nfs/dbraw/zinc/02/53/72/885025372.db2.gz IFTOMENNYGEPBI-UHFFFAOYSA-N 0 0 383.423 3.569 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000761974910 885061985 /nfs/dbraw/zinc/06/19/85/885061985.db2.gz ZFRDLWKQQZQXAF-QKKBWIMNSA-N 0 0 392.496 3.615 20 10 GHCDRN CCc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cc1Cl ZINC000806878756 885078506 /nfs/dbraw/zinc/07/85/06/885078506.db2.gz OPLLQXSECYYCSH-UHFFFAOYSA-N 0 0 385.895 3.540 20 10 GHCDRN Cc1cc(C(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)c(C)n1-c1ccccn1 ZINC000914902795 885132589 /nfs/dbraw/zinc/13/25/89/885132589.db2.gz AELMILJWTWNMJY-BJZITVGISA-N 0 0 383.492 3.729 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@H](C)C[C@@H](O)c2ccco2)cc1F ZINC000153408826 885138266 /nfs/dbraw/zinc/13/82/66/885138266.db2.gz FLTARDQPXUXIPJ-RDTXWAMCSA-N 0 0 377.460 3.576 20 10 GHCDRN O=C(c1cnc(-c2cccnc2)s1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000762016068 885206190 /nfs/dbraw/zinc/20/61/90/885206190.db2.gz SIKSCJZKSOJHIM-QGZVFWFLSA-N 0 0 395.484 3.732 20 10 GHCDRN COc1cccc(CNS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c1O ZINC000795851662 912911863 /nfs/dbraw/zinc/91/18/63/912911863.db2.gz GKDDRNIDOOZQEE-UHFFFAOYSA-N 0 0 395.786 3.552 20 10 GHCDRN O=C(c1cnc(-c2ccccn2)s1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000117975992 885234672 /nfs/dbraw/zinc/23/46/72/885234672.db2.gz ROOSELXKFZLGCG-MRXNPFEDSA-N 0 0 395.484 3.732 20 10 GHCDRN C[C@H](NC(=O)NC[C@@H](CO)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000807142178 885259956 /nfs/dbraw/zinc/25/99/56/885259956.db2.gz ZXZDZLNGNFUIHR-YOEHRIQHSA-N 0 0 375.900 3.542 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000807181806 885305622 /nfs/dbraw/zinc/30/56/22/885305622.db2.gz UKTJABLOTQKNHF-CTNGQTDRSA-N 0 0 394.515 3.658 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCc1ccc2c[nH]nc2c1 ZINC000807244139 885323327 /nfs/dbraw/zinc/32/33/27/885323327.db2.gz SJVRRKQYQHFCIW-UHFFFAOYSA-N 0 0 379.508 3.792 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(OC(F)F)c(F)c1 ZINC000054436862 885386905 /nfs/dbraw/zinc/38/69/05/885386905.db2.gz HDEGQVCVRFZWDZ-UHFFFAOYSA-N 0 0 395.381 3.585 20 10 GHCDRN CCc1ccccc1CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000807367176 885398787 /nfs/dbraw/zinc/39/87/87/885398787.db2.gz NBESDBOJOJXDEP-UHFFFAOYSA-N 0 0 394.515 3.932 20 10 GHCDRN CN(C)c1ccc(CNC(=O)Nc2ccc3c(cnn3C(F)F)c2)cc1F ZINC000747394830 885402493 /nfs/dbraw/zinc/40/24/93/885402493.db2.gz VJMJJGKXHFRRHI-UHFFFAOYSA-N 0 0 377.370 3.958 20 10 GHCDRN CO[C@@]1(C)CCCN(C(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)CC1 ZINC000861468989 885536067 /nfs/dbraw/zinc/53/60/67/885536067.db2.gz ZMHSPTAODCPINF-QHCPKHFHSA-N 0 0 382.504 3.867 20 10 GHCDRN CCC(CC)[C@H](CCNC(=O)NC1CCN(c2ccc(OC)cc2)CC1)OC ZINC000747403459 885540955 /nfs/dbraw/zinc/54/09/55/885540955.db2.gz RFBFSJMKMANHRV-NRFANRHFSA-N 0 0 391.556 3.805 20 10 GHCDRN C[C@@H](NC(=O)C(=O)N1C[C@H](C)C[C@H]1c1ccccc1F)c1ccc(N(C)C)cc1 ZINC000807671920 885622960 /nfs/dbraw/zinc/62/29/60/885622960.db2.gz UZAOVIRTGKODMS-ZOCZFRKYSA-N 0 0 397.494 3.679 20 10 GHCDRN Cc1ccc(C2=CCN(C(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)CC2)cc1 ZINC000807672320 885622971 /nfs/dbraw/zinc/62/29/71/885622971.db2.gz BJHFHJINEHFLQG-GOSISDBHSA-N 0 0 391.515 3.554 20 10 GHCDRN CC[C@@H](CSc1ccccc1)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807676620 885624948 /nfs/dbraw/zinc/62/49/48/885624948.db2.gz HTQYMLNJEMJYNP-AEFFLSMTSA-N 0 0 399.560 3.617 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2CCCC23CCOCC3)c1 ZINC000861544558 885625858 /nfs/dbraw/zinc/62/58/58/885625858.db2.gz NDIWTFUPBKAHDK-OAQYLSRUSA-N 0 0 380.488 3.986 20 10 GHCDRN CCOC(=O)c1cnn2ccc(NCc3ccc(Br)cc3O)cc12 ZINC001183991557 912956231 /nfs/dbraw/zinc/95/62/31/912956231.db2.gz KWPNYBUKUCYILY-UHFFFAOYSA-N 0 0 390.237 3.591 20 10 GHCDRN COc1ccc2c(c1)OC[C@H](C(=O)NCc1ccc(N3CCCCC3)cc1)C2 ZINC000747423686 885705028 /nfs/dbraw/zinc/70/50/28/885705028.db2.gz ZTWQKUVQDBUYAQ-LJQANCHMSA-N 0 0 380.488 3.553 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc3c(c2)[C@H](C)CC(=O)N3C)c1 ZINC000861637440 885716713 /nfs/dbraw/zinc/71/67/13/885716713.db2.gz CRRKJJGLCTZDDV-OLZOCXBDSA-N 0 0 383.448 3.754 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCNC(=O)c2ccccc2Cl)cc1 ZINC000915081746 885724518 /nfs/dbraw/zinc/72/45/18/885724518.db2.gz GFYDLPJAPXEZPH-UHFFFAOYSA-N 0 0 395.890 3.907 20 10 GHCDRN Cc1cc(C(=O)NC[C@@H](CO)c2ccc(Cl)cc2)c(C)n1-c1ccccn1 ZINC000807853061 885781985 /nfs/dbraw/zinc/78/19/85/885781985.db2.gz WJMUAZPSUMLAGQ-KRWDZBQOSA-N 0 0 383.879 3.648 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NCCOC3CCCCCC3)CC2)cc1 ZINC000118486930 885791677 /nfs/dbraw/zinc/79/16/77/885791677.db2.gz ZLOZZIRUVUQUND-UHFFFAOYSA-N 0 0 389.540 3.703 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)CN(Cc2cccnc2)c2ccccc2)c1 ZINC000118495615 885796311 /nfs/dbraw/zinc/79/63/11/885796311.db2.gz PPUWHUWHMSXPSW-QGZVFWFLSA-N 0 0 391.471 3.680 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1 ZINC000861756428 885828516 /nfs/dbraw/zinc/82/85/16/885828516.db2.gz ZHJVZGKYRXEKFR-SFTDATJTSA-N 0 0 380.488 3.936 20 10 GHCDRN O=C(Nc1cccc2c1OCC2)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000861812270 885881783 /nfs/dbraw/zinc/88/17/83/885881783.db2.gz HUOFSENMMJVHGH-UHFFFAOYSA-N 0 0 394.471 3.627 20 10 GHCDRN CCn1c(C)nc([N+](=O)[O-])c1NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000807958838 885895169 /nfs/dbraw/zinc/89/51/69/885895169.db2.gz HGOWZEWEGQYJBT-UHFFFAOYSA-N 0 0 395.410 3.802 20 10 GHCDRN COC(=O)c1ccc(CNC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)nc1 ZINC000808002078 885922173 /nfs/dbraw/zinc/92/21/73/885922173.db2.gz TVBHEAQDZYSGTG-UHFFFAOYSA-N 0 0 397.862 3.859 20 10 GHCDRN CC(=O)C(=O)CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 ZINC000808010238 885928096 /nfs/dbraw/zinc/92/80/96/885928096.db2.gz PPMVBZGMIVTWHK-UHFFFAOYSA-N 0 0 385.876 3.897 20 10 GHCDRN CC(=O)C(=O)CSc1nnc(COc2c(C)cccc2C)n1-c1ccccc1 ZINC000808015323 885941931 /nfs/dbraw/zinc/94/19/31/885941931.db2.gz NXXDNYRDLYCDJR-UHFFFAOYSA-N 0 0 395.484 3.713 20 10 GHCDRN O=C1C[C@H](c2noc(-c3ccc(-n4cccc4)c(F)c3)n2)CN1CC1CCC1 ZINC000762295247 885948376 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FIFWNHFUCUSFDC-UHFFFAOYSA-N 0 0 387.534 3.585 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NCCCOc3cccc(C)c3)CC2)cc1 ZINC000918007421 892948761 /nfs/dbraw/zinc/94/87/61/892948761.db2.gz XFAOZZMBADRSKF-UHFFFAOYSA-N 0 0 397.519 3.694 20 10 GHCDRN COc1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1OC ZINC000918000259 892973606 /nfs/dbraw/zinc/97/36/06/892973606.db2.gz HPZBCXVUPHYDCH-UHFFFAOYSA-N 0 0 383.492 3.644 20 10 GHCDRN CO[C@@H](C)c1noc(CN(C)CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)n1 ZINC000747966532 893024346 /nfs/dbraw/zinc/02/43/46/893024346.db2.gz FYPREIKOVMZLPC-KRWDZBQOSA-N 0 0 396.491 3.808 20 10 GHCDRN CCCNC(=O)c1ccc(NC(=O)NCc2ccc(N(CC)CC)cc2)cc1 ZINC000918042712 893041765 /nfs/dbraw/zinc/04/17/65/893041765.db2.gz SYZFULMQVVZOMU-UHFFFAOYSA-N 0 0 382.508 3.994 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)Nc2cccc(N3CCOCC3)c2)C2CC2)cc1 ZINC000918048107 893051961 /nfs/dbraw/zinc/05/19/61/893051961.db2.gz SMVUIPRHNWWCPN-UHFFFAOYSA-N 0 0 394.519 3.786 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)NC[C@@H]2COc3ccccc3C2)C2CC2)cc1 ZINC000918058838 893073621 /nfs/dbraw/zinc/07/36/21/893073621.db2.gz XBVKEEYHTAPHOO-GOSISDBHSA-N 0 0 379.504 3.678 20 10 GHCDRN C[C@H]1C[C@H]1c1ccc(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)o1 ZINC000918078673 893086927 /nfs/dbraw/zinc/08/69/27/893086927.db2.gz VTADLYHVLXESOI-HRAATJIYSA-N 0 0 397.519 3.611 20 10 GHCDRN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC1CC=CC1 ZINC000125938941 893158436 /nfs/dbraw/zinc/15/84/36/893158436.db2.gz LJTVIXAJJSGXGN-KAMYIIQDSA-N 0 0 378.544 3.564 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)NCCC(=O)NC2CCCCC2)cc1 ZINC000918121405 893197534 /nfs/dbraw/zinc/19/75/34/893197534.db2.gz MITCINDJJKESSR-UHFFFAOYSA-N 0 0 388.556 3.513 20 10 GHCDRN Cc1cc(C(=O)Nc2ccnc(C(=O)N(C)C)c2)c(C)n1-c1ccccc1C ZINC000126090115 893283420 /nfs/dbraw/zinc/28/34/20/893283420.db2.gz GTZLPZQVYDAOMR-UHFFFAOYSA-N 0 0 376.460 3.752 20 10 GHCDRN OC1CCN(c2ccc(CN3CCO[C@H](c4ccccc4Cl)C3)cc2)CC1 ZINC000876687920 893289558 /nfs/dbraw/zinc/28/95/58/893289558.db2.gz DYQOICHOPRITLD-QFIPXVFZSA-N 0 0 386.923 3.875 20 10 GHCDRN CC[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000918187189 893327815 /nfs/dbraw/zinc/32/78/15/893327815.db2.gz XUEFIYVCBCVLJG-SFHVURJKSA-N 0 0 385.483 3.655 20 10 GHCDRN Cc1cc(C(=O)CN(C)Cc2cccc(C(N)=O)c2)c(C)n1-c1cccc(F)c1 ZINC000918187912 893329295 /nfs/dbraw/zinc/32/92/95/893329295.db2.gz DHPZBQCXZHJSRS-UHFFFAOYSA-N 0 0 393.462 3.647 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H](c1cccs1)C1CC1 ZINC000918199825 893348466 /nfs/dbraw/zinc/34/84/66/893348466.db2.gz PSRMHDMPPCRDGS-OAQYLSRUSA-N 0 0 399.560 3.907 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H](c1cccs1)C1CC1 ZINC000918200237 893350039 /nfs/dbraw/zinc/35/00/39/893350039.db2.gz ZGCBUQPEJDEYLC-LJQANCHMSA-N 0 0 389.496 3.674 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCc2ccc(N3CCCC3=O)cc2)cc1 ZINC000918202754 893351826 /nfs/dbraw/zinc/35/18/26/893351826.db2.gz ITDNIJQGAKUKGH-UHFFFAOYSA-N 0 0 394.519 3.659 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)Cc2cnc3ccccc3n2)cc1 ZINC000815052774 893370660 /nfs/dbraw/zinc/37/06/60/893370660.db2.gz ZZRYQEFHEHAHPW-KRWDZBQOSA-N 0 0 376.504 3.971 20 10 GHCDRN Cc1ccccc1-c1cc(NCc2ccc(N3CCC(O)CC3)cc2)n(C)n1 ZINC000876877255 893371024 /nfs/dbraw/zinc/37/10/24/893371024.db2.gz RDYUBHDBYZPPAH-UHFFFAOYSA-N 0 0 376.504 3.969 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000918227921 893371537 /nfs/dbraw/zinc/37/15/37/893371537.db2.gz BQIWFTGCFSLGHC-OAQYLSRUSA-N 0 0 385.483 3.955 20 10 GHCDRN O=C(NCCCSc1nccs1)N(CCO)[C@@H]1CCCc2ccccc21 ZINC000154670584 893400597 /nfs/dbraw/zinc/40/05/97/893400597.db2.gz JWGSUGOWUSVJRN-QGZVFWFLSA-N 0 0 391.562 3.707 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccccc2SC)cc1 ZINC000918310596 893470506 /nfs/dbraw/zinc/47/05/06/893470506.db2.gz PTWIBBXKYSKLSQ-UHFFFAOYSA-N 0 0 385.533 3.852 20 10 GHCDRN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1noc(-c2ccccc2)n1 ZINC000877085662 893475606 /nfs/dbraw/zinc/47/56/06/893475606.db2.gz QLSPXTNPXGZWND-MRXNPFEDSA-N 0 0 378.476 3.549 20 10 GHCDRN Cc1cc(NCc2ccc(N3CCC(O)CC3)cc2)n(Cc2ccccc2)n1 ZINC000877147451 893509034 /nfs/dbraw/zinc/50/90/34/893509034.db2.gz FMXHJXNAZJHGDR-UHFFFAOYSA-N 0 0 376.504 3.813 20 10 GHCDRN Nc1ccc(Cc2nc(C(=O)NCC3([C@@H]4CCCCO4)CCC3)cs2)cc1 ZINC000877202908 893532267 /nfs/dbraw/zinc/53/22/67/893532267.db2.gz LIPMIZMCVZCQQK-SFHVURJKSA-N 0 0 385.533 3.785 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3ccc(F)c(F)c3F)CC2)c(C)c1 ZINC001185321150 913778737 /nfs/dbraw/zinc/77/87/37/913778737.db2.gz VTHGHCBIZNOPMO-UHFFFAOYSA-N 0 0 379.382 3.775 20 10 GHCDRN COc1ccc(OC(F)F)c(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000126543601 893631418 /nfs/dbraw/zinc/63/14/18/893631418.db2.gz QYSIOOOWHGMIFF-UHFFFAOYSA-N 0 0 393.434 3.704 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc3c2CCCC3)cc1 ZINC000918428899 893664064 /nfs/dbraw/zinc/66/40/64/893664064.db2.gz BJEATCQOUIBKOP-UHFFFAOYSA-N 0 0 379.504 3.667 20 10 GHCDRN CCCc1ccccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000918456594 893734076 /nfs/dbraw/zinc/73/40/76/893734076.db2.gz UBWUMHJIUYRWQZ-UHFFFAOYSA-N 0 0 379.504 3.835 20 10 GHCDRN C[C@@H]1CC(=O)N(C)c2ccc(NCc3ccc(N4CCC(O)CC4)cc3)cc21 ZINC000877659476 893749525 /nfs/dbraw/zinc/74/95/25/893749525.db2.gz UDQLFSZXQFKFKE-MRXNPFEDSA-N 0 0 379.504 3.730 20 10 GHCDRN CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000774854616 913801398 /nfs/dbraw/zinc/80/13/98/913801398.db2.gz YEISRVIZCDRENW-APWZRJJASA-N 0 0 399.491 3.966 20 10 GHCDRN Cc1cc(C(=O)CN2CC[C@@H](O)[C@@H](C)C2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000778258454 893781747 /nfs/dbraw/zinc/78/17/47/893781747.db2.gz KBPNZAJVCOPLOH-HXPMCKFVSA-N 0 0 378.875 3.772 20 10 GHCDRN Cc1cc([C@@H](C)NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c(C)s1 ZINC000556108540 893785074 /nfs/dbraw/zinc/78/50/74/893785074.db2.gz UBXGDLUNHUMFCF-CQSZACIVSA-N 0 0 383.517 3.659 20 10 GHCDRN Cc1cc(CCNC(=O)[C@H](C)NC(=O)C2CCCCC2)c(C)n1-c1ccccc1 ZINC000918486394 893799903 /nfs/dbraw/zinc/79/99/03/893799903.db2.gz BDVNITGJRRJODC-SFHVURJKSA-N 0 0 395.547 3.838 20 10 GHCDRN Cc1cc(Br)cc(CNCc2ncc(Br)s2)c1O ZINC000877767034 893803759 /nfs/dbraw/zinc/80/37/59/893803759.db2.gz TVNIEJGDLZZTIT-UHFFFAOYSA-N 0 0 392.116 3.972 20 10 GHCDRN CCN1C(=O)C(C)(C)N[C@H]1c1ccc(N2CCCCC2)c(Br)c1 ZINC000877860554 893863203 /nfs/dbraw/zinc/86/32/03/893863203.db2.gz ONQSWZNVSRVOQC-MRXNPFEDSA-N 0 0 380.330 3.668 20 10 GHCDRN Cc1cc(CCNC(=O)c2ccnc(-n3ccnc3)c2)c(C)n1-c1ccccc1 ZINC000918553341 893955390 /nfs/dbraw/zinc/95/53/90/893955390.db2.gz LGLCPJLUJAGBIH-UHFFFAOYSA-N 0 0 385.471 3.647 20 10 GHCDRN COCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])c1 ZINC000815555711 893995344 /nfs/dbraw/zinc/99/53/44/893995344.db2.gz GGVAMAOYSTUUKE-LBPRGKRZSA-N 0 0 382.382 3.847 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)[C@H]2CCCCN2C(=O)c2ccco2)C2CC2)cc1 ZINC000918565825 894007325 /nfs/dbraw/zinc/00/73/25/894007325.db2.gz VNBXOKOMKZYRNE-HXUWFJFHSA-N 0 0 395.503 3.532 20 10 GHCDRN C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000815578891 894018471 /nfs/dbraw/zinc/01/84/71/894018471.db2.gz ZSZHEGXFYAKXAP-CXAGYDPISA-N 0 0 380.410 3.761 20 10 GHCDRN COc1cccc(CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)c1O ZINC000934940508 894056092 /nfs/dbraw/zinc/05/60/92/894056092.db2.gz NTNHGBPZVNVWFF-INIZCTEOSA-N 0 0 398.459 3.556 20 10 GHCDRN CSc1ccc([C@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])N(C)C)cc1 ZINC000815660218 894074882 /nfs/dbraw/zinc/07/48/82/894074882.db2.gz UMGGVIOOUGTYBO-ACJLOTCBSA-N 0 0 375.494 3.976 20 10 GHCDRN CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000815715459 894151333 /nfs/dbraw/zinc/15/13/33/894151333.db2.gz IHTLYUVLTZWWKR-ZDUSSCGKSA-N 0 0 392.450 3.707 20 10 GHCDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000878325607 894195843 /nfs/dbraw/zinc/19/58/43/894195843.db2.gz LEMDFLKXPKUJFU-INIZCTEOSA-N 0 0 391.471 3.724 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)C2(Cc3cccc(F)c3)CCOCC2)c1 ZINC000815835640 894246168 /nfs/dbraw/zinc/24/61/68/894246168.db2.gz ZWOBYNPWIVKBLV-HNNXBMFYSA-N 0 0 387.451 3.757 20 10 GHCDRN O=C1CCc2cc(NCc3ccc(N4CCOCC4)cc3)ccc2N1CC1CC1 ZINC000187525071 894359874 /nfs/dbraw/zinc/35/98/74/894359874.db2.gz RXYRSZQUKXBACC-UHFFFAOYSA-N 0 0 391.515 3.825 20 10 GHCDRN Cc1cc(CCNC(=O)c2cnc(C(F)(F)F)nc2)c(C)n1-c1ccccc1 ZINC000778327708 894423708 /nfs/dbraw/zinc/42/37/08/894423708.db2.gz AVEULARBFRBBCA-UHFFFAOYSA-N 0 0 388.393 3.875 20 10 GHCDRN CCOc1ccccc1C(=O)N1CCN(Cc2ccc3ccccc3c2O)CC1 ZINC000816485784 894853682 /nfs/dbraw/zinc/85/36/82/894853682.db2.gz ZYBDAAZNMNABGJ-UHFFFAOYSA-N 0 0 390.483 3.902 20 10 GHCDRN O=C(c1ccc(F)cc1F)N1CCN(Cc2ccc3ccccc3c2O)CC1 ZINC000816502785 894881704 /nfs/dbraw/zinc/88/17/04/894881704.db2.gz QFSAOAPHEMWWRT-UHFFFAOYSA-N 0 0 382.410 3.782 20 10 GHCDRN COc1ccc(NCc2cc(Cl)c(F)cc2O)cc1-n1nnnc1C1CC1 ZINC000816527332 894925455 /nfs/dbraw/zinc/92/54/55/894925455.db2.gz FRDOLROHKLWCIS-UHFFFAOYSA-N 0 0 389.818 3.659 20 10 GHCDRN CC[C@H]1NC(=O)N(c2cccc(NCc3ccc4ccccc4c3O)c2)C1=O ZINC000816596446 894960050 /nfs/dbraw/zinc/96/00/50/894960050.db2.gz CLKKVSCHPSAKKB-LJQANCHMSA-N 0 0 375.428 3.992 20 10 GHCDRN Cc1cc(S(=O)(=O)N(C)C)cc(NCc2cc(Cl)c(F)cc2O)c1C ZINC000816607094 894968625 /nfs/dbraw/zinc/96/86/25/894968625.db2.gz FLKQSWCYBUJDQB-UHFFFAOYSA-N 0 0 386.876 3.664 20 10 GHCDRN C[C@H]1CCC[C@]1(O)C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000816660356 895006355 /nfs/dbraw/zinc/00/63/55/895006355.db2.gz AKMDWQQKPWFEDM-XPTSAGLGSA-N 0 0 393.119 3.558 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC1(Cc2ccccc2Br)CC1 ZINC000817042332 895289712 /nfs/dbraw/zinc/28/97/12/895289712.db2.gz AUXKPFQGRHLWCH-SOFGYWHQSA-N 0 0 388.261 3.765 20 10 GHCDRN O=C(Nc1cccc2c(=O)[nH]ccc12)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000879800539 895295493 /nfs/dbraw/zinc/29/54/93/895295493.db2.gz RSGGTOTWNJAXHV-INIZCTEOSA-N 0 0 393.443 3.859 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000128007013 895303368 /nfs/dbraw/zinc/30/33/68/895303368.db2.gz IWVRIRKSGRHMLE-HXUWFJFHSA-N 0 0 376.504 3.531 20 10 GHCDRN CN=[S@](C)(=O)c1cccc(NC(=O)NCCCSc2nccs2)c1 ZINC000879839353 895342689 /nfs/dbraw/zinc/34/26/89/895342689.db2.gz XUFVEHLDBGBYLN-XMMPIXPASA-N 0 0 384.552 3.534 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H](c4cccnc4)C3)ccc21 ZINC000565009115 895348916 /nfs/dbraw/zinc/34/89/16/895348916.db2.gz FHWPWUPMGFMYKI-HXUWFJFHSA-N 0 0 377.488 3.929 20 10 GHCDRN CCNC(=O)NC1(C(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)CCCC1 ZINC001170856942 895416728 /nfs/dbraw/zinc/41/67/28/895416728.db2.gz DCZNZWJDMYUWPZ-UHFFFAOYSA-N 0 0 396.535 3.651 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3ccc(-n4cccn4)c(C)c3)CC2)cc1 ZINC000817428150 895616769 /nfs/dbraw/zinc/61/67/69/895616769.db2.gz BYPQIJYFONUKDZ-UHFFFAOYSA-N 0 0 390.487 3.542 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CSC(c3ccccc3O)=N2)cc1 ZINC001135946098 895739985 /nfs/dbraw/zinc/73/99/85/895739985.db2.gz FSEFGQOBWIMFJO-IBGZPJMESA-N 0 0 397.544 3.759 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCN(C(=O)C3CC3)C2)cc1 ZINC000817672596 895806876 /nfs/dbraw/zinc/80/68/76/895806876.db2.gz WIXULTGQIPMLJE-UHFFFAOYSA-N 0 0 391.475 3.820 20 10 GHCDRN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000128614862 895872300 /nfs/dbraw/zinc/87/23/00/895872300.db2.gz BHEGPAKQYYNPDD-UHFFFAOYSA-N 0 0 383.370 3.547 20 10 GHCDRN COc1cccc(Cl)c1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000880806168 895904969 /nfs/dbraw/zinc/90/49/69/895904969.db2.gz YYRFOQUFTBOTLY-UHFFFAOYSA-N 0 0 389.883 3.849 20 10 GHCDRN COc1ccc(C2CC2)c(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000880855685 895938908 /nfs/dbraw/zinc/93/89/08/895938908.db2.gz DGZSILDONNMJGQ-UHFFFAOYSA-N 0 0 395.503 3.855 20 10 GHCDRN Nc1ccc(Cc2nc(C(=O)N3CCO[C@@H](c4cccs4)C3)cs2)cc1 ZINC000817928198 895949479 /nfs/dbraw/zinc/94/94/79/895949479.db2.gz RWCHKIKOCWYXSS-MRXNPFEDSA-N 0 0 385.514 3.591 20 10 GHCDRN C[C@@H](CNC(=O)c1csc(Cc2ccc(N)cc2)n1)COCc1ccccc1 ZINC000817926369 895963792 /nfs/dbraw/zinc/96/37/92/895963792.db2.gz HMMGYWRKMPMMFC-INIZCTEOSA-N 0 0 395.528 3.899 20 10 GHCDRN C[C@H]1CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)[C@H](c2ccccc2)CO1 ZINC000817952259 895976402 /nfs/dbraw/zinc/97/64/02/895976402.db2.gz OTZNKUSJKAFRGD-YWZLYKJASA-N 0 0 393.512 3.918 20 10 GHCDRN Nc1ccc(Cc2nc(C(=O)N3CCC(c4ccncc4)CC3)cs2)cc1 ZINC000817995894 895981013 /nfs/dbraw/zinc/98/10/13/895981013.db2.gz GSVLPEKNBOFEOQ-UHFFFAOYSA-N 0 0 378.501 3.731 20 10 GHCDRN Nc1ccc(Cc2nc(C(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)cs2)cc1 ZINC000817999691 895982553 /nfs/dbraw/zinc/98/25/53/895982553.db2.gz TUFOHIVBMBMFIQ-ICSRJNTNSA-N 0 0 393.512 3.966 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cncc(C(F)F)c1 ZINC000880916210 895993657 /nfs/dbraw/zinc/99/36/57/895993657.db2.gz RAHYUNNVQLZNCQ-UHFFFAOYSA-N 0 0 390.434 3.550 20 10 GHCDRN COC(=O)c1cnc([C@@H](C)N[C@@H](C)c2ccc(Br)cc2O)s1 ZINC000818357707 896144129 /nfs/dbraw/zinc/14/41/29/896144129.db2.gz IITKZBSOCBYECV-DTWKUNHWSA-N 0 0 385.283 3.810 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)Nc3ccc4c(c3)CCCN4)C2)cc1 ZINC000818636305 896223153 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O=C(NCCC1CCCCC1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000080003909 908195906 /nfs/dbraw/zinc/19/59/06/908195906.db2.gz KKGKICFHIMBKFX-UHFFFAOYSA-N 0 0 377.504 3.556 20 10 GHCDRN Cc1cc(C(F)(F)F)nn1CC(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001176957714 908326419 /nfs/dbraw/zinc/32/64/19/908326419.db2.gz JLSZZKMRPBDEBX-GOSISDBHSA-N 0 0 395.425 3.973 20 10 GHCDRN Cc1cc(C(=O)N2CC(O)(c3ccc(F)cc3)C2)c(C)n1-c1ccc(F)cc1 ZINC001176998128 908356025 /nfs/dbraw/zinc/35/60/25/908356025.db2.gz VJUIGTMCHVFKCZ-UHFFFAOYSA-N 0 0 382.410 3.716 20 10 GHCDRN CC(C)Oc1ccc([C@H](O)CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773609723 908400295 /nfs/dbraw/zinc/40/02/95/908400295.db2.gz AXBAPCAGXPLGHN-HRAATJIYSA-N 0 0 385.508 3.634 20 10 GHCDRN C[C@@H](NC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1)c1ccc(N(C)C)cc1 ZINC000773614891 908415585 /nfs/dbraw/zinc/41/55/85/908415585.db2.gz UHJQHCXUOHGHQN-ZBFHGGJFSA-N 0 0 388.462 3.670 20 10 GHCDRN COc1cccc(N2CCC[C@@H](NC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)C2)c1 ZINC000773614899 908415755 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CCCOc1cc(/C=C2/SC(=S)N(Cc3ccon3)C2=O)ccc1OC ZINC000268741523 909992857 /nfs/dbraw/zinc/99/28/57/909992857.db2.gz QHHBWZRRNRBASS-MHWRWJLKSA-N 0 0 390.486 3.873 20 10 GHCDRN CCn1c(-c2ccccc2F)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000801854511 921551230 /nfs/dbraw/zinc/55/12/30/921551230.db2.gz LVAFLCSMQBDVMS-UHFFFAOYSA-N 0 0 399.445 3.578 20 10 GHCDRN C[C@@H](NC(=O)C(=O)N1CC2(CCC2)c2c1cccc2F)c1ccc(N(C)C)cc1 ZINC000773855752 910153501 /nfs/dbraw/zinc/15/35/01/910153501.db2.gz GXAHAOLVBOOBNW-OAHLLOKOSA-N 0 0 395.478 3.537 20 10 GHCDRN CN(CCN(C)c1ccc(NC(=O)C[C@@H]2CCCCO2)cc1)c1ccc(N)cc1 ZINC001180415124 910155479 /nfs/dbraw/zinc/15/54/79/910155479.db2.gz QXNIVVZSNUKAQA-QFIPXVFZSA-N 0 0 396.535 3.739 20 10 GHCDRN Nc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(Cl)c1 ZINC000269265497 910200424 /nfs/dbraw/zinc/20/04/24/910200424.db2.gz PCJPKSSIKNAKJM-CYBMUJFWSA-N 0 0 395.837 3.922 20 10 GHCDRN CC(C)(Oc1ccc(Br)cc1)C(=O)N1CCc2cccc(O)c2C1 ZINC001180572246 910247827 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CCCc1nc(C)c(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000292052971 915494456 /nfs/dbraw/zinc/49/44/56/915494456.db2.gz GDVHOZGCEAGCRT-QGZVFWFLSA-N 0 0 387.480 3.532 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000802054144 921790232 /nfs/dbraw/zinc/79/02/32/921790232.db2.gz GVCQMJMKVSEQQZ-HXUWFJFHSA-N 0 0 395.503 3.505 20 10 GHCDRN C[C@H](NC(=O)c1ccccc1OC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000775159206 915720855 /nfs/dbraw/zinc/72/08/55/915720855.db2.gz YGSYUENNHIIKOR-AWEZNQCLSA-N 0 0 394.393 3.913 20 10 GHCDRN C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1OCCc2sccc21 ZINC000292965492 915924445 /nfs/dbraw/zinc/92/44/45/915924445.db2.gz KRXTYQATAJMJIX-QRWLVFNGSA-N 0 0 383.517 3.626 20 10 GHCDRN O=S(=O)(Cc1cccc(Br)c1)Nc1ccc(O)c(Cl)c1 ZINC001188681256 916106186 /nfs/dbraw/zinc/10/61/86/916106186.db2.gz MYBVDVMLRUBTOW-UHFFFAOYSA-N 0 0 376.659 3.750 20 10 GHCDRN CCC[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000775191090 916148349 /nfs/dbraw/zinc/14/83/49/916148349.db2.gz 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COC(=O)[C@H](Cc1ccccc1)Oc1cccc2c1C(=O)c1ccccc1C2=O ZINC001228073213 1032764529 /nfs/dbraw/zinc/76/45/29/1032764529.db2.gz IGFBHFGHIARKTR-FQEVSTJZSA-N 0 0 386.403 3.625 20 10 GHCDRN O=C1c2ccccc2C(=O)c2c(OC[C@@H]3CC[C@]4(CCCCO4)O3)cccc21 ZINC001228081337 1032767738 /nfs/dbraw/zinc/76/77/38/1032767738.db2.gz ZKSRRZGABZNJTE-WNSKOXEYSA-N 0 0 378.424 3.917 20 10 GHCDRN O=C1CCc2cc(N3CCN(Cc4ccc(N5CCCC5)cc4)CC3)ccc21 ZINC001204329667 1032773364 /nfs/dbraw/zinc/77/33/64/1032773364.db2.gz URMRFWUXSVAEHE-UHFFFAOYSA-N 0 0 375.516 3.738 20 10 GHCDRN CC(C)Oc1cc(COc2c(O)c(O)ccc2C(=O)c2ccc(O)cc2)ccn1 ZINC001228108351 1032785745 /nfs/dbraw/zinc/78/57/45/1032785745.db2.gz GADOAXWMPRSLBQ-UHFFFAOYSA-N 0 0 395.411 3.796 20 10 GHCDRN COc1cc(CN2Cc3ccc(Br)cc3C[C@@H]2C)cc(O)c1O ZINC001204350481 1032788987 /nfs/dbraw/zinc/78/89/87/1032788987.db2.gz HWCXIIWFKQAVLU-NSHDSACASA-N 0 0 378.266 3.816 20 10 GHCDRN Cn1nc(Br)cc1/C=C1/SC(=S)N(C2CCCCC2)C1=O ZINC000778249077 1018910155 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GHCDRN CN(C)c1ccc(CNC(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)cc1 ZINC000156045162 1019609366 /nfs/dbraw/zinc/60/93/66/1019609366.db2.gz AICCCCSXKVYOCF-UHFFFAOYSA-N 0 0 387.483 3.959 20 10 GHCDRN C[C@@H](CCC(C)(C)C)NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001228251459 1032864893 /nfs/dbraw/zinc/86/48/93/1032864893.db2.gz KEZZWVNWXGZERM-AWEZNQCLSA-N 0 0 383.483 3.815 20 10 GHCDRN CN(CC(=O)Nc1cc(C(C)(C)C)nn1C)Cc1ccc(N2CCCCC2)cc1 ZINC000158636289 1020001504 /nfs/dbraw/zinc/00/15/04/1020001504.db2.gz NDSAKNMDUWEPSI-UHFFFAOYSA-N 0 0 397.567 3.778 20 10 GHCDRN C[C@@H](Sc1ccncc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000160011326 1020407384 /nfs/dbraw/zinc/40/73/84/1020407384.db2.gz BAWDGKBLHFHUJS-CYBMUJFWSA-N 0 0 388.448 3.976 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)c1cc2n(n1)CC1(CCC1)CO2 ZINC001156178135 1032914551 /nfs/dbraw/zinc/91/45/51/1032914551.db2.gz NTEVOQBSTHJSFB-FQEVSTJZSA-N 0 0 395.503 3.822 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(-c2cnc(C)o2)cc1 ZINC000190489389 1020695293 /nfs/dbraw/zinc/69/52/93/1020695293.db2.gz ZHFQLZFZHVNJPB-UHFFFAOYSA-N 0 0 393.443 3.733 20 10 GHCDRN COc1ccc(Cn2ccc(NC(=O)N[C@H](C)c3ccc(N(C)C)cc3)n2)cc1 ZINC000779507966 1020837032 /nfs/dbraw/zinc/83/70/32/1020837032.db2.gz CLEDCJHRYFKDDU-MRXNPFEDSA-N 0 0 393.491 3.889 20 10 GHCDRN COC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(C(F)(F)F)c1 ZINC000779517492 1020838577 /nfs/dbraw/zinc/83/85/77/1020838577.db2.gz BMKYGRKJWTVGOE-PMGBHYCQSA-N 0 0 381.350 3.634 20 10 GHCDRN Cc1ccc(C(=O)N2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)cc1 ZINC000779587269 1020893854 /nfs/dbraw/zinc/89/38/54/1020893854.db2.gz LJUCNDHHCRRAFQ-UHFFFAOYSA-N 0 0 377.532 3.943 20 10 GHCDRN C[C@H](Cc1cccs1)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000193800211 1020952414 /nfs/dbraw/zinc/95/24/14/1020952414.db2.gz RXBUCUZJVWARLX-OAHLLOKOSA-N 0 0 375.563 3.732 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000194003405 1020957769 /nfs/dbraw/zinc/95/77/69/1020957769.db2.gz SRXAHPVTEGQLRW-SECBINFHSA-N 0 0 399.325 3.778 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CC1(CSC)CC1 ZINC000834510064 1021233959 /nfs/dbraw/zinc/23/39/59/1021233959.db2.gz WTNHJWMLRFGJQR-UHFFFAOYSA-N 0 0 392.565 3.908 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H]1C[C@H]1OC(C)(C)C ZINC000834509562 1021234163 /nfs/dbraw/zinc/23/41/63/1021234163.db2.gz DGOSZSXALIGUHA-IEBWSBKVSA-N 0 0 390.524 3.579 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc[nH]c1CCC ZINC000834509575 1021234369 /nfs/dbraw/zinc/23/43/69/1021234369.db2.gz DTJBYTBXJQZMPH-UHFFFAOYSA-N 0 0 385.508 3.969 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H]1Cc2ccccc21 ZINC000834514059 1021236516 /nfs/dbraw/zinc/23/65/16/1021236516.db2.gz GZLIVCDSWIVRBU-HXUWFJFHSA-N 0 0 380.488 3.715 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCCCSC ZINC000834514590 1021238475 /nfs/dbraw/zinc/23/84/75/1021238475.db2.gz QBFPSJAIGGURPQ-UHFFFAOYSA-N 0 0 380.554 3.908 20 10 GHCDRN COc1cc(CCO)ccc1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000834518413 1021239056 /nfs/dbraw/zinc/23/90/56/1021239056.db2.gz LDZHMNQLYUBKSY-UHFFFAOYSA-N 0 0 378.472 3.819 20 10 GHCDRN C[C@@H](NC(=O)N1CC[C@@](F)(c2ccccc2)C1)c1ccc(N2CCOCC2)cc1 ZINC000801000286 1021356905 /nfs/dbraw/zinc/35/69/05/1021356905.db2.gz JTYAWJGYFCAMEE-JPYJTQIMSA-N 0 0 397.494 3.865 20 10 GHCDRN COc1cnc2ccccc2c1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000801666697 1021426561 /nfs/dbraw/zinc/42/65/61/1021426561.db2.gz YQVCEUIKFTULJN-INIZCTEOSA-N 0 0 391.471 3.571 20 10 GHCDRN COc1ccc(N2CCN(Cc3cnc(-c4ccccc4F)nc3)CC2)c(C)c1 ZINC001140404354 1021576701 /nfs/dbraw/zinc/57/67/01/1021576701.db2.gz XLGNRGLANGFHIY-UHFFFAOYSA-N 0 0 392.478 3.922 20 10 GHCDRN CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000834880637 1021603309 /nfs/dbraw/zinc/60/33/09/1021603309.db2.gz LZJWUODJKUYWJT-IMSIIYSGSA-N 0 0 378.694 3.510 20 10 GHCDRN Cc1ccc(N2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)CC2)c(C)c1 ZINC001228577500 1032995044 /nfs/dbraw/zinc/99/50/44/1032995044.db2.gz ZPVCEUUWPQAJGE-UHFFFAOYSA-N 0 0 390.531 3.711 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NAWYMJWLQHIPSA-FQEVSTJZSA-N 0 0 381.520 3.833 20 10 GHCDRN OCC1CCN(c2ccc(CNc3ncnc4[nH]c5ccccc5c43)cc2)CC1 ZINC000827416199 1022155099 /nfs/dbraw/zinc/15/50/99/1022155099.db2.gz WQNVUFZODICMHK-UHFFFAOYSA-N 0 0 387.487 3.932 20 10 GHCDRN Fc1cc(N2CCOCC2)ccc1CN(Cc1ccccn1)Cc1ccccn1 ZINC001140662446 1022201679 /nfs/dbraw/zinc/20/16/79/1022201679.db2.gz UURFWBRBJJTBQX-UHFFFAOYSA-N 0 0 392.478 3.655 20 10 GHCDRN CN(C[C@@H]1OCCc2ccccc21)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000725865940 1022388665 /nfs/dbraw/zinc/38/86/65/1022388665.db2.gz ZUVCIBZEDOFGQR-QFIPXVFZSA-N 0 0 379.504 3.742 20 10 GHCDRN Cc1cc(CN2CCS(=O)(=O)C3(CCCCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000754011178 1022421895 /nfs/dbraw/zinc/42/18/95/1022421895.db2.gz RPGDPRIIQMKOPC-UHFFFAOYSA-N 0 0 379.566 3.931 20 10 GHCDRN O=S1(=O)CCN(Cc2cc3oc4ccccc4c3cc2O)[C@@H]2CCCC[C@@H]21 ZINC000754011625 1022421952 /nfs/dbraw/zinc/42/19/52/1022421952.db2.gz KPHCPRJRERQNRV-UTKZUKDTSA-N 0 0 385.485 3.833 20 10 GHCDRN O=S1(=O)CCN(Cc2c3c(ccc2O)oc2c3CCCC2)[C@@H]2CCCC[C@@H]21 ZINC000754012887 1022423879 /nfs/dbraw/zinc/42/38/79/1022423879.db2.gz LZFRSTNQIDZYRI-UZLBHIALSA-N 0 0 389.517 3.559 20 10 GHCDRN COc1ccc(/C=C(\C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1F ZINC000754172071 1022521225 /nfs/dbraw/zinc/52/12/25/1022521225.db2.gz WNLIKJBSNRVWDP-ZQHZRZASSA-N 0 0 398.478 3.952 20 10 GHCDRN CCN(C(=O)/C=C\c1ccc(C)nc1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000754199379 1022533942 /nfs/dbraw/zinc/53/39/42/1022533942.db2.gz BSYLZFYTHJIZFJ-WDZFZDKYSA-N 0 0 398.406 3.750 20 10 GHCDRN CCOC[C@@H]1C[N@H+](Cc2ccc(N(CC)CC)cc2O)Cc2c1cnn2CC ZINC001140853076 1022703292 /nfs/dbraw/zinc/70/32/92/1022703292.db2.gz LIYKFGVFKFQSQH-SFHVURJKSA-N 0 0 386.540 3.591 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cnc(Br)cc1C ZINC000754469310 1022723730 /nfs/dbraw/zinc/72/37/30/1022723730.db2.gz OSPOPTRGHHBLCC-UHFFFAOYSA-N 0 0 377.286 3.849 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCO[C@@H](c3ccncc3)C2)cc1 ZINC000836240586 1022758524 /nfs/dbraw/zinc/75/85/24/1022758524.db2.gz AOVPHRZJONDWHR-TZIWHRDSSA-N 0 0 382.508 3.647 20 10 GHCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(Cn2cccn2)o1 ZINC000754548933 1022764129 /nfs/dbraw/zinc/76/41/29/1022764129.db2.gz SRPZTEJGMUFRFD-UHFFFAOYSA-N 0 0 397.390 3.552 20 10 GHCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cc(-c2ccccn2)no1 ZINC000754551087 1022764215 /nfs/dbraw/zinc/76/42/15/1022764215.db2.gz TVDYXHNNAUDONV-UHFFFAOYSA-N 0 0 395.374 3.764 20 10 GHCDRN C[C@H](NC(=O)NC[C@H]1CSc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000836255072 1022777940 /nfs/dbraw/zinc/77/79/40/1022777940.db2.gz BVRJGTLNOLDJCE-WMZOPIPTSA-N 0 0 397.544 3.773 20 10 GHCDRN C[C@H](NC(=O)N(C)Cc1c(F)cccc1F)c1ccc(N2CCOCC2)cc1 ZINC000836256297 1022782190 /nfs/dbraw/zinc/78/21/90/1022782190.db2.gz OIFVKYSQOZDOSF-HNNXBMFYSA-N 0 0 389.446 3.704 20 10 GHCDRN Cc1nccnc1CCNC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000836259765 1022786971 /nfs/dbraw/zinc/78/69/71/1022786971.db2.gz KGKMHXQWTDNYAL-UHFFFAOYSA-N 0 0 381.524 3.596 20 10 GHCDRN COc1ccc(N(C)CC(=O)c2cc(C)n(-c3nccs3)c2C)cc1OC ZINC000754639453 1022807368 /nfs/dbraw/zinc/80/73/68/1022807368.db2.gz IRSKDVYRZBRLGA-UHFFFAOYSA-N 0 0 385.489 3.887 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCc2cc(F)cnc2Cl)cc1F ZINC000836291388 1022830886 /nfs/dbraw/zinc/83/08/86/1022830886.db2.gz SDICYUYBQWVILF-UHFFFAOYSA-N 0 0 382.842 3.859 20 10 GHCDRN COC[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(Cl)cc1 ZINC000836319775 1022868569 /nfs/dbraw/zinc/86/85/69/1022868569.db2.gz DVUIFXCAXDKEGH-IBGZPJMESA-N 0 0 399.922 3.946 20 10 GHCDRN CCC1(CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)COC1 ZINC000836442882 1022976399 /nfs/dbraw/zinc/97/63/99/1022976399.db2.gz BYKGSNYGQGDTDY-OAHLLOKOSA-N 0 0 379.932 3.802 20 10 GHCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000755016692 1023022460 /nfs/dbraw/zinc/02/24/60/1023022460.db2.gz XGHCQRNPYUZIFB-UHFFFAOYSA-N 0 0 397.456 3.776 20 10 GHCDRN CCc1noc(C)c1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000755044016 1023041424 /nfs/dbraw/zinc/04/14/24/1023041424.db2.gz YQPKJRYTAJMAPH-BETUJISGSA-N 0 0 390.459 3.620 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2cc(C)nc(C)n2)c(C)n1-c1cccc(F)c1 ZINC000755163607 1023104403 /nfs/dbraw/zinc/10/44/03/1023104403.db2.gz QUPWNVBKQXCZIE-UHFFFAOYSA-N 0 0 381.407 3.680 20 10 GHCDRN CC1(C)CCC[C@@H](CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000836660548 1023220627 /nfs/dbraw/zinc/22/06/27/1023220627.db2.gz FBCDCOKUPDPGPA-QGZVFWFLSA-N 0 0 391.531 3.802 20 10 GHCDRN C[C@H](NC(=O)Nc1ccc([C@H]2CCOC2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000836695935 1023267210 /nfs/dbraw/zinc/26/72/10/1023267210.db2.gz DKAKRZNDIPXEBM-PXNSSMCTSA-N 0 0 395.503 3.910 20 10 GHCDRN COc1cc(O)c(CN2CC(Oc3cccc(C(F)(F)F)c3)C2)c(OC)c1 ZINC001141028409 1023275913 /nfs/dbraw/zinc/27/59/13/1023275913.db2.gz NHZOUUMKOQHQJE-UHFFFAOYSA-N 0 0 383.366 3.691 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ncc(C3CCOCC3)s2)c1 ZINC000836727493 1023311093 /nfs/dbraw/zinc/31/10/93/1023311093.db2.gz VGKXZWJIVOANAE-LLVKDONJSA-N 0 0 377.466 3.634 20 10 GHCDRN CN(c1ccc(CNC(=O)CCC(=O)NC2CCCC2)cc1)C1CCCCC1 ZINC000755701029 1023340020 /nfs/dbraw/zinc/34/00/20/1023340020.db2.gz YAWFNUCAKRTKKX-UHFFFAOYSA-N 0 0 385.552 3.911 20 10 GHCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1CCn2ccnc2C1 ZINC000836781818 1023363506 /nfs/dbraw/zinc/36/35/06/1023363506.db2.gz VIRYNDLOPUDWBC-MJGOQNOKSA-N 0 0 375.472 3.941 20 10 GHCDRN CC[C@@H]1C[C@H]1CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000836829940 1023394519 /nfs/dbraw/zinc/39/45/19/1023394519.db2.gz LZAGOFNADHGQQU-JKIKXBSOSA-N 0 0 394.587 3.892 20 10 GHCDRN Cc1ccc(C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)c(O)c1O ZINC000836840069 1023401490 /nfs/dbraw/zinc/40/14/90/1023401490.db2.gz NUEHSEIMHMAWLX-CYBMUJFWSA-N 0 0 376.250 3.798 20 10 GHCDRN CCCc1cnc(NC(=O)C(=O)N(C)Cc2ccc(N(CC)CC)cc2)s1 ZINC000756075723 1023511622 /nfs/dbraw/zinc/51/16/22/1023511622.db2.gz HRKJFMSKWNXWKU-UHFFFAOYSA-N 0 0 388.537 3.539 20 10 GHCDRN Cc1cc(C(=O)NCCc2cnc(C3CC3)nc2)c(C)n1-c1ccc(F)cc1 ZINC000756086627 1023516810 /nfs/dbraw/zinc/51/68/10/1023516810.db2.gz HHQGZERWZYSTAT-UHFFFAOYSA-N 0 0 378.451 3.873 20 10 GHCDRN Oc1cccc2c1CN(Cc1cc(Br)cnc1Br)CC2 ZINC001141125127 1023547869 /nfs/dbraw/zinc/54/78/69/1023547869.db2.gz DSEHRGQNZPSQDF-UHFFFAOYSA-N 0 0 398.098 3.871 20 10 GHCDRN C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cc(Br)cc(F)c1[O-] ZINC000756361507 1023606903 /nfs/dbraw/zinc/60/69/03/1023606903.db2.gz JWBWAVQIKKKYEK-SNVBAGLBSA-N 0 0 382.229 3.916 20 10 GHCDRN CCOC(=O)N1CCC([NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])CC1 ZINC000756381108 1023620637 /nfs/dbraw/zinc/62/06/37/1023620637.db2.gz KGAOIGYPPLGRTB-SNVBAGLBSA-N 0 0 389.265 3.565 20 10 GHCDRN C[C@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1cc(Br)c(F)cc1[O-] ZINC000756390290 1023625759 /nfs/dbraw/zinc/62/57/59/1023625759.db2.gz GSCIRLAINPURSL-NSHDSACASA-N 0 0 391.244 3.725 20 10 GHCDRN C[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1cc(Br)c(F)cc1[O-] ZINC000756392043 1023625962 /nfs/dbraw/zinc/62/59/62/1023625962.db2.gz GVCXBGCWGXWNSU-NSHDSACASA-N 0 0 391.244 3.725 20 10 GHCDRN C[C@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756434239 1023646806 /nfs/dbraw/zinc/64/68/06/1023646806.db2.gz VJCSFSGUGCEOBP-ZDUSSCGKSA-N 0 0 391.418 3.894 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000756454966 1023659548 /nfs/dbraw/zinc/65/95/48/1023659548.db2.gz GWGHXDJCFPMYHN-GJZGRUSLSA-N 0 0 382.460 3.717 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccccc2OCC(F)(F)F)c1 ZINC000756460780 1023663815 /nfs/dbraw/zinc/66/38/15/1023663815.db2.gz RHBPIZKJFHAOTQ-GFCCVEGCSA-N 0 0 383.366 3.971 20 10 GHCDRN C[C@H]([NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1cc(F)cc(F)c1[O-] ZINC000756462313 1023664777 /nfs/dbraw/zinc/66/47/77/1023664777.db2.gz XOOQZBGMXPLVRJ-GXFFZTMASA-N 0 0 391.336 3.780 20 10 GHCDRN C[C@@H]([NH2+]CCc1cc(Cl)c2c(c1)OCCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756468781 1023669140 /nfs/dbraw/zinc/66/91/40/1023669140.db2.gz GEXLNOCDFKEQHY-LLVKDONJSA-N 0 0 378.812 3.618 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1cc(Br)c(F)cc1[O-] ZINC000756502689 1023687227 /nfs/dbraw/zinc/68/72/27/1023687227.db2.gz KRGLQJAQJFJRMJ-IUCAKERBSA-N 0 0 385.199 3.581 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCc2ccc(OC)c(OC(F)F)c2)c1 ZINC000756516270 1023693354 /nfs/dbraw/zinc/69/33/54/1023693354.db2.gz ROJRASDMGWIEQC-GFCCVEGCSA-N 0 0 395.402 3.682 20 10 GHCDRN C[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cc(Br)cc(F)c1[O-] ZINC000756539541 1023705650 /nfs/dbraw/zinc/70/56/50/1023705650.db2.gz PXWXSRJGMUXOCE-QMMMGPOBSA-N 0 0 396.182 3.903 20 10 GHCDRN C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1cc(Br)cc(Br)c1[O-] ZINC000756570664 1023716389 /nfs/dbraw/zinc/71/63/89/1023716389.db2.gz XEPITVUTNLJNEL-RTHLEPHNSA-N 0 0 393.119 3.729 20 10 GHCDRN C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cc(Br)cc(F)c1[O-] ZINC000756707603 1023783233 /nfs/dbraw/zinc/78/32/33/1023783233.db2.gz LGPAQOILZBJQHS-SNVBAGLBSA-N 0 0 399.216 3.932 20 10 GHCDRN C[C@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000756736423 1023792771 /nfs/dbraw/zinc/79/27/71/1023792771.db2.gz NOYPSSNTZCTYDH-ONGXEEELSA-N 0 0 389.721 3.858 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1cc(Br)c(F)cc1[O-] ZINC000756763669 1023805241 /nfs/dbraw/zinc/80/52/41/1023805241.db2.gz XMQRVCNZCZVRHN-BZNIZROVSA-N 0 0 399.304 3.878 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cc(Br)c(F)cc1[O-] ZINC000756764380 1023805529 /nfs/dbraw/zinc/80/55/29/1023805529.db2.gz HYPJFOIAWUAKSW-RYUDHWBXSA-N 0 0 388.277 3.673 20 10 GHCDRN C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-])C(C)(C)O ZINC000756818173 1023825490 /nfs/dbraw/zinc/82/54/90/1023825490.db2.gz LNZBUQUSEGNWHV-JGVFFNPUSA-N 0 0 381.108 3.727 20 10 GHCDRN C[C@H]([NH2+][C@@H](C)C(C)(C)O)c1cc(Br)cc(Br)c1[O-] ZINC000756818178 1023825941 /nfs/dbraw/zinc/82/59/41/1023825941.db2.gz LNZBUQUSEGNWHV-YUMQZZPRSA-N 0 0 381.108 3.727 20 10 GHCDRN C[C@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1cc(Br)ccc1O ZINC000756832788 1023828308 /nfs/dbraw/zinc/82/83/08/1023828308.db2.gz SYGNVRLMDRSKFB-JTQLQIEISA-N 0 0 376.254 3.518 20 10 GHCDRN C[C@@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1cc(Br)c(F)cc1O ZINC000756833469 1023828731 /nfs/dbraw/zinc/82/87/31/1023828731.db2.gz ZZPAMHFIDLCWIF-SECBINFHSA-N 0 0 394.244 3.657 20 10 GHCDRN CC(C)(C)OC(=O)N1CCc2sc(C(=O)NCc3ccccc3O)cc2C1 ZINC000830526312 1023967644 /nfs/dbraw/zinc/96/76/44/1023967644.db2.gz JEYSRGZMUQUQDS-UHFFFAOYSA-N 0 0 388.489 3.677 20 10 GHCDRN O=C(NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn21)c1cccc(O)c1O ZINC001156683058 1033180560 /nfs/dbraw/zinc/18/05/60/1033180560.db2.gz JJJHWXXURNVAKA-UHFFFAOYSA-N 0 0 395.365 3.621 20 10 GHCDRN O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)O1)c1cc2cc(O)c(O)cc2s1 ZINC000830689014 1024075415 /nfs/dbraw/zinc/07/54/15/1024075415.db2.gz XRARLSXVKFIYSN-LKFCYVNXSA-N 0 0 375.368 3.542 20 10 GHCDRN Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@@H+](Cc1cccc(F)c1[O-])C2 ZINC001138126455 1024171068 /nfs/dbraw/zinc/17/10/68/1024171068.db2.gz BGOMLXMUJBXSBU-UHFFFAOYSA-N 0 0 378.451 3.652 20 10 GHCDRN C/C=C/C[C@@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)OCC ZINC001138130920 1024185524 /nfs/dbraw/zinc/18/55/24/1024185524.db2.gz DKAZOQUGHAFRCX-CPSHHHPTSA-N 0 0 384.476 3.730 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCO[C@@H](c3nccn3C)C2)c(C)n1-c1cccc(C)c1 ZINC000837175721 1024188533 /nfs/dbraw/zinc/18/85/33/1024188533.db2.gz CUENWPDNLWUMCB-GHTZIAJQSA-N 0 0 392.503 3.786 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCO[C@H](c2nccn2C)C1 ZINC000837177329 1024191109 /nfs/dbraw/zinc/19/11/09/1024191109.db2.gz KYTOHOQINIOBQN-WBVHZDCISA-N 0 0 384.505 3.539 20 10 GHCDRN O=C(c1cccc(-c2cnco2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000830899610 1024227610 /nfs/dbraw/zinc/22/76/10/1024227610.db2.gz ICIXMVFOZRXEBK-LJQANCHMSA-N 0 0 378.428 3.869 20 10 GHCDRN O=C(c1cccc(N2CCCC2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000830900417 1024229763 /nfs/dbraw/zinc/22/97/63/1024229763.db2.gz XNBZWXBDIDOUEQ-NRFANRHFSA-N 0 0 380.488 3.814 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NN2Cc3ccccc3C2=O)ccc1C ZINC001138158448 1024267121 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Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000840313532 1027440983 /nfs/dbraw/zinc/44/09/83/1027440983.db2.gz VFVFODIJBOJDHB-CABCVRRESA-N 0 0 387.528 3.733 20 10 GHCDRN NC(=O)c1ccc(O[C@@H]2CCC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)cc1 ZINC001203585312 1027452589 /nfs/dbraw/zinc/45/25/89/1027452589.db2.gz GOBLSJVTZAKZJS-MRXNPFEDSA-N 0 0 395.286 3.841 20 10 GHCDRN Fc1cc(CNc2ccc(Br)cn2)cc(F)c1N1CCOCC1 ZINC000840325244 1027453811 /nfs/dbraw/zinc/45/38/11/1027453811.db2.gz AESXJILHMGORGF-UHFFFAOYSA-N 0 0 384.224 3.571 20 10 GHCDRN C[C@H]1CN(Cc2cc(Br)ccc2O)CCN1C(=O)OC(C)(C)C ZINC001203635831 1027494510 /nfs/dbraw/zinc/49/45/10/1027494510.db2.gz HMIPGFVREYBCPR-LBPRGKRZSA-N 0 0 385.302 3.596 20 10 GHCDRN CC(C)(C)OC(=O)NCC12CC(C1)CN2Cc1cc(Br)ccc1O ZINC001203635832 1027494821 /nfs/dbraw/zinc/49/48/21/1027494821.db2.gz HPYVFNIBDRDJEC-UHFFFAOYSA-N 0 0 397.313 3.644 20 10 GHCDRN CC(C)(C)OC(=O)N1CC2(C1)CCCN2Cc1cc(Br)ccc1O ZINC001203636346 1027496093 /nfs/dbraw/zinc/49/60/93/1027496093.db2.gz UUPIZJQTDOCDPS-UHFFFAOYSA-N 0 0 397.313 3.740 20 10 GHCDRN CCOC[C@@H]1CN(Cc2cc(Cl)ccc2O)Cc2ncn(CC3CC3)c21 ZINC001203655951 1027509315 /nfs/dbraw/zinc/50/93/15/1027509315.db2.gz GFHFDFNUYHSESB-INIZCTEOSA-N 0 0 375.900 3.788 20 10 GHCDRN COC(=O)c1ccc2c(c1)CN(C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C2 ZINC000840479406 1027562279 /nfs/dbraw/zinc/56/22/79/1027562279.db2.gz PAHMXEZFJLSAPC-INIZCTEOSA-N 0 0 395.503 3.504 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000840482299 1027564579 /nfs/dbraw/zinc/56/45/79/1027564579.db2.gz VUPWXBBCMNMZPL-UFYCRDLUSA-N 0 0 387.568 3.840 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC(C)(C)[C@H]1c1nccn1C ZINC000840484556 1027569135 /nfs/dbraw/zinc/56/91/35/1027569135.db2.gz PPSAGBLVKSKMLR-QFBILLFUSA-N 0 0 383.540 3.518 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1cccc(N2CCOCC2)c1 ZINC000840488433 1027573493 /nfs/dbraw/zinc/57/34/93/1027573493.db2.gz MPBUSPQBBIXSHI-SFHVURJKSA-N 0 0 396.535 3.650 20 10 GHCDRN COc1ccc(-c2ccccc2C)cc1/C=C1/SC(N2CCOCC2)=NC1=O ZINC000840715181 1027754551 /nfs/dbraw/zinc/75/45/51/1027754551.db2.gz PIJNHRGZFJVQSR-XSFVSMFZSA-N 0 0 394.496 3.973 20 10 GHCDRN COc1ccc(-c2ccc(N(C)S(=O)(=O)Cc3ccc(N)cc3)cc2)cc1 ZINC001203967012 1027765758 /nfs/dbraw/zinc/76/57/58/1027765758.db2.gz VHCNKCIBAPBOMP-UHFFFAOYSA-N 0 0 382.485 3.911 20 10 GHCDRN CCn1c(Br)ncc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001141980624 1027803481 /nfs/dbraw/zinc/80/34/81/1027803481.db2.gz ZNSOHMWMWRLKFH-UHFFFAOYSA-N 0 0 393.329 3.782 20 10 GHCDRN Cc1nc2c(s1)[C@@H]([NH2+]Cc1cc(F)c(N3CCOCC3)c(F)c1)CCC2 ZINC000840760926 1027804626 /nfs/dbraw/zinc/80/46/26/1027804626.db2.gz KWJKGAWHRPBIAN-INIZCTEOSA-N 0 0 379.476 3.734 20 10 GHCDRN Cc1cc(O)c(CN(C)CCCOc2ccc(S(C)(=O)=O)cc2)c(Cl)c1 ZINC000840912732 1027947510 /nfs/dbraw/zinc/94/75/10/1027947510.db2.gz URXDLLYJNMTQRR-UHFFFAOYSA-N 0 0 397.924 3.658 20 10 GHCDRN CC(C)(C)CC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000840998674 1028031026 /nfs/dbraw/zinc/03/10/26/1028031026.db2.gz NLQQEIRQWIFIFX-MRXNPFEDSA-N 0 0 377.485 3.954 20 10 GHCDRN CCOc1ccc([C@H](NC(=O)C(=O)Nc2ccc(N)cc2)C(C)C)cc1OCC ZINC000841005508 1028034638 /nfs/dbraw/zinc/03/46/38/1028034638.db2.gz APHDOCICSHFWMN-HXUWFJFHSA-N 0 0 399.491 3.518 20 10 GHCDRN Nc1ccc(NC(=O)C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)cc1 ZINC000841071756 1028089822 /nfs/dbraw/zinc/08/98/22/1028089822.db2.gz ANKHUQRVEIXCEF-UHFFFAOYSA-N 0 0 391.393 3.632 20 10 GHCDRN Nc1ccc(CCNC(=O)Nc2cc(Cl)ccc2N2CCSCC2)cc1 ZINC000841093380 1028122053 /nfs/dbraw/zinc/12/20/53/1028122053.db2.gz SBCMDTSLJKPJOI-UHFFFAOYSA-N 0 0 390.940 3.840 20 10 GHCDRN Nc1ccc(NC(=O)C(=O)N2CCCC[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000841106091 1028145232 /nfs/dbraw/zinc/14/52/32/1028145232.db2.gz AWKIJQNURXLOQS-KRWDZBQOSA-N 0 0 391.393 3.980 20 10 GHCDRN COCCn1cccc(-c2nc(-c3ccc(-n4c(C)ccc4C)cc3)no2)c1=O ZINC001213516265 1028237211 /nfs/dbraw/zinc/23/72/11/1028237211.db2.gz LXYSRHTZVGCXAV-UHFFFAOYSA-N 0 0 390.443 3.619 20 10 GHCDRN Cc1cc(N(C)C)ccc1/C=C1/SC(=S)N(CCc2cccnc2)C1=O ZINC000841494602 1028696648 /nfs/dbraw/zinc/69/66/48/1028696648.db2.gz CXKMQSHPXZONHD-LDADJPATSA-N 0 0 383.542 3.900 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000841671034 1028817771 /nfs/dbraw/zinc/81/77/71/1028817771.db2.gz QTYZUBHEXNQARD-PXNSSMCTSA-N 0 0 397.519 3.981 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccccc1NC(=O)NC(C)C ZINC001142418761 1028863086 /nfs/dbraw/zinc/86/30/86/1028863086.db2.gz JIFVOGOCCAXOHG-KRWDZBQOSA-N 0 0 396.535 3.952 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CC1 ZINC001142418586 1028863212 /nfs/dbraw/zinc/86/32/12/1028863212.db2.gz HDKADKDOVAKWNA-OAHLLOKOSA-N 0 0 392.503 3.812 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)Nc2cccc3c2CN(C)C3=O)C2CC2)cc1 ZINC000841737356 1028898566 /nfs/dbraw/zinc/89/85/66/1028898566.db2.gz ULDUDEYHGMPNEE-UHFFFAOYSA-N 0 0 378.476 3.535 20 10 GHCDRN CCOC(=O)c1snnc1-c1nc(-c2ccc(F)c(C(F)(F)F)c2)no1 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QZUAVNZVFNXDBQ-ZDUSSCGKSA-N 0 0 388.876 3.699 20 10 GHCDRN COc1ccc(C(=O)CCC(=O)NCc2cc(Cl)c3cccnc3c2O)cc1 ZINC001142745134 1029375137 /nfs/dbraw/zinc/37/51/37/1029375137.db2.gz ZIGLACCBBIPACY-UHFFFAOYSA-N 0 0 398.846 3.882 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2cnn(C(=O)OC(C)(C)C)c2)C1 ZINC001142797292 1029474394 /nfs/dbraw/zinc/47/43/94/1029474394.db2.gz RITDEYHQWXQDPT-UHFFFAOYSA-N 0 0 396.491 3.725 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)[C@@H](C)c3ccc4c(c3)OCO4)C2)cc1 ZINC000842872956 1029650185 /nfs/dbraw/zinc/65/01/85/1029650185.db2.gz DXQQQZXCSVGJJB-HOTGVXAUSA-N 0 0 383.444 3.597 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)[C@H](C)Cn3ncc4ccccc43)C2)cc1 ZINC000842874792 1029651081 /nfs/dbraw/zinc/65/10/81/1029651081.db2.gz IBKVAXUHNDXYCV-MSOLQXFVSA-N 0 0 393.487 3.751 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@@H]3CCc4cccc(OC)c43)C2)cc1 ZINC000842874144 1029651841 /nfs/dbraw/zinc/65/18/41/1029651841.db2.gz KSNTVHGGWPZORF-OXQOHEQNSA-N 0 0 381.472 3.803 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3cc(Br)co3)C2)cc1 ZINC000842875600 1029651876 /nfs/dbraw/zinc/65/18/76/1029651876.db2.gz SFHDTDWJYMAPLA-LBPRGKRZSA-N 0 0 380.238 3.734 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)C[C@@H]3CCO[C@@H](C(C)C)C3)C2)cc1 ZINC000842874980 1029652947 /nfs/dbraw/zinc/65/29/47/1029652947.db2.gz IXYKQMXCPUITHI-LVCYWYKZSA-N 0 0 375.509 3.906 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)c3sc([C@H](C)OC)nc3C)C2)cc1 ZINC000842878258 1029655441 /nfs/dbraw/zinc/65/54/41/1029655441.db2.gz JNCLNLBFSJIWSY-LSDHHAIUSA-N 0 0 390.505 3.851 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3ccc4cc(OC)ccc4n3)C2)cc1 ZINC000842880366 1029657931 /nfs/dbraw/zinc/65/79/31/1029657931.db2.gz XRJIWISMEOWDAC-INIZCTEOSA-N 0 0 392.455 3.935 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@H](C)Oc3cccc(C(C)=O)c3)C2)cc1 ZINC000842880113 1029658240 /nfs/dbraw/zinc/65/82/40/1029658240.db2.gz YKJPVSGPOVKACT-ZWKOTPCHSA-N 0 0 397.471 3.735 20 10 GHCDRN CNC(=O)[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])Cc1ccc(F)cc1C ZINC000842886880 1029663896 /nfs/dbraw/zinc/66/38/96/1029663896.db2.gz UQPNMPCIGVAMLH-DZGCQCFKSA-N 0 0 378.875 3.749 20 10 GHCDRN CC(C)(O)C(=O)Nc1cc(N)ccc1/N=N/c1ccc(Br)cn1 ZINC001142904054 1029665688 /nfs/dbraw/zinc/66/56/88/1029665688.db2.gz IDHAVPCAAALPJP-QZQOTICOSA-N 0 0 378.230 3.551 20 10 GHCDRN CCOC[C@H]1CN(Cc2cccc(C(C)(C)C)c2O)Cc2nnn(CC3CC3)c21 ZINC001143105481 1029843435 /nfs/dbraw/zinc/84/34/35/1029843435.db2.gz YEDUJFKDVWGQCE-GOSISDBHSA-N 0 0 398.551 3.827 20 10 GHCDRN FC(F)(F)Oc1ccc(N2CCN(Cc3cc4cccnc4[nH]3)CC2)cc1 ZINC001143226284 1029926900 /nfs/dbraw/zinc/92/69/00/1029926900.db2.gz AKNYAHLKNGQMDE-UHFFFAOYSA-N 0 0 376.382 3.784 20 10 GHCDRN Nc1ccc2c(c1NC(=O)c1cnc3ccccc3c1)C(=O)c1ccccc1C2=O ZINC001149132963 1030070711 /nfs/dbraw/zinc/07/07/11/1030070711.db2.gz IPIMWYQVNZIFAC-UHFFFAOYSA-N 0 0 393.402 3.845 20 10 GHCDRN CO[C@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)C1CCCCC1 ZINC001222345897 1030082581 /nfs/dbraw/zinc/08/25/81/1030082581.db2.gz ZSYVUHKRTXWLGQ-HXUWFJFHSA-N 0 0 391.581 3.634 20 10 GHCDRN 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382.888 3.745 20 10 GHCDRN COc1cc(O)c(CN2C[C@H]3CC[C@@H](C2)N3Cc2scnc2C)c(Cl)c1 ZINC001279665081 1047904755 /nfs/dbraw/zinc/90/47/55/1047904755.db2.gz FQYUZIJZCOWRGT-OKILXGFUSA-N 0 0 393.940 3.668 20 10 GHCDRN CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CC12CCOCC2 ZINC001305382873 1048004911 /nfs/dbraw/zinc/00/49/11/1048004911.db2.gz KXBDHMQNINDCKF-FUHWJXTLSA-N 0 0 384.524 3.950 20 10 GHCDRN CC[C@@H](C)CN(C)c1nnc(C(C)C)n1Cc1ccc(N2CCOCC2)cc1 ZINC001305580092 1048151578 /nfs/dbraw/zinc/15/15/78/1048151578.db2.gz XHVKMFCFNPVJMY-GOSISDBHSA-N 0 0 385.556 3.769 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)C2CC2)cc1 ZINC000726934437 1048235190 /nfs/dbraw/zinc/23/51/90/1048235190.db2.gz CFJNIKMNBYNENQ-UHFFFAOYSA-N 0 0 384.480 3.862 20 10 GHCDRN COC(=O)/C=C\c1ccc(N2CCCO[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000729849299 1048245222 /nfs/dbraw/zinc/24/52/22/1048245222.db2.gz CSWNYGHVQOSLLF-YBNHLDJLSA-N 0 0 382.416 3.749 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(C3N=NC(=S)N3C)CC2)cc1 ZINC000730101084 1048248632 /nfs/dbraw/zinc/24/86/32/1048248632.db2.gz FUXCWLVIMZWUCA-UHFFFAOYSA-N 0 0 395.532 3.531 20 10 GHCDRN CCc1nnc(N2CCC[C@H]2[C@H]2CCCO2)n1Cc1ccc(N(CC)CC)cc1 ZINC001306176881 1048493824 /nfs/dbraw/zinc/49/38/24/1048493824.db2.gz QUXCIFVUYKMEMQ-LEWJYISDSA-N 0 0 397.567 3.883 20 10 GHCDRN Cc1cc([N+](=O)[O-])cnc1NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000731027448 1048692335 /nfs/dbraw/zinc/69/23/35/1048692335.db2.gz YBNRKVATIINYAG-UHFFFAOYSA-N 0 0 378.379 3.981 20 10 GHCDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000750873888 1048733841 /nfs/dbraw/zinc/73/38/41/1048733841.db2.gz AFVYLFGMFUBSMT-HXUWFJFHSA-N 0 0 397.475 3.791 20 10 GHCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1cc(F)ccc1[N+](=O)[O-] ZINC000751306375 1048904438 /nfs/dbraw/zinc/90/44/38/1048904438.db2.gz VQKFRFGEIOFBLF-UHFFFAOYSA-N 0 0 377.335 3.696 20 10 GHCDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000751356820 1048907782 /nfs/dbraw/zinc/90/77/82/1048907782.db2.gz 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Cc1cc(C(=O)Cn2cnc(C(F)(F)F)cc2=O)c(C)n1-c1ccccc1C ZINC001307369209 1049228424 /nfs/dbraw/zinc/22/84/24/1049228424.db2.gz ZNXJRCGWJWMBRI-UHFFFAOYSA-N 0 0 389.377 3.861 20 10 GHCDRN CCC[C@@H]1CCc2ccccc2N1Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC001307557474 1049398296 /nfs/dbraw/zinc/39/82/96/1049398296.db2.gz PWMMLFVKJCPTNE-QGZVFWFLSA-N 0 0 394.475 3.733 20 10 GHCDRN COc1ccc(N2CCN(Cc3cccc(F)c3OC(F)F)CC2)cc1F ZINC001307575351 1049415148 /nfs/dbraw/zinc/41/51/48/1049415148.db2.gz YCZADRIXVQBYNV-UHFFFAOYSA-N 0 0 384.373 3.897 20 10 GHCDRN COC(=O)/C=C/c1ccc(NCCCSc2nccs2)c([N+](=O)[O-])c1 ZINC000733895712 1049557960 /nfs/dbraw/zinc/55/79/60/1049557960.db2.gz IZBRQMVCDKWYDG-GQCTYLIASA-N 0 0 379.463 3.832 20 10 GHCDRN Cc1cccc(CCn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccccc2O)n1 ZINC001290015696 1049710780 /nfs/dbraw/zinc/71/07/80/1049710780.db2.gz SLCICLWGUWUIPB-UHFFFAOYSA-N 0 0 388.475 3.561 20 10 GHCDRN Cc1c(F)cccc1N(CC(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCO[C@H]1C ZINC001307996941 1049746878 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20 10 GHCDRN COc1ncc(Br)cc1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001308466373 1049982524 /nfs/dbraw/zinc/98/25/24/1049982524.db2.gz JEFSRCHVFSADAP-UHFFFAOYSA-N 0 0 375.625 3.641 20 10 GHCDRN Cc1cc(Br)cc(CNc2ccccc2CN2CCNC2=O)c1O ZINC001308681742 1050058070 /nfs/dbraw/zinc/05/80/70/1050058070.db2.gz VMOCPDFTWJNZRT-UHFFFAOYSA-N 0 0 390.281 3.600 20 10 GHCDRN [O-]c1c(Br)cccc1C[NH2+]Cc1ncc(Br)cc1F ZINC001308742516 1050078394 /nfs/dbraw/zinc/07/83/94/1050078394.db2.gz SRFHHXIFEJBGCI-UHFFFAOYSA-N 0 0 390.050 3.741 20 10 GHCDRN COc1cc(OC)c(C[C@@H](C)[NH2+]Cc2cc(Cl)c(F)cc2[O-])c(OC)c1 ZINC001308773404 1050089011 /nfs/dbraw/zinc/08/90/11/1050089011.db2.gz JOBUMMQTWVHOHP-LLVKDONJSA-N 0 0 383.847 3.931 20 10 GHCDRN CCc1cccc(CN2c3ccccc3C[C@H]2CNC(=O)C(F)(F)F)c1O ZINC001308825796 1050110013 /nfs/dbraw/zinc/11/00/13/1050110013.db2.gz OOAJZFJHYJKVDC-INIZCTEOSA-N 0 0 378.394 3.564 20 10 GHCDRN Cc1cc(C(=O)COC(=O)C=Cc2ccncn2)c(C)n1-c1ccc(C)cc1 ZINC000754925842 1050160592 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GHCDRN CCOc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4F)on3)CC2)cc1 ZINC001324627583 1057183624 /nfs/dbraw/zinc/18/36/24/1057183624.db2.gz WFSRSADSZNQCQZ-UHFFFAOYSA-N 0 0 395.434 3.842 20 10 GHCDRN CCc1ccc(-c2nc(C(=O)OCC(=O)c3ccc(O)c(O)c3)cs2)cc1 ZINC001324772107 1057223488 /nfs/dbraw/zinc/22/34/88/1057223488.db2.gz KOILWVSHXYCGTG-UHFFFAOYSA-N 0 0 383.425 3.823 20 10 GHCDRN COc1ccc(C(C)C)cc1CNc1cc(CS(C)(=O)=O)ccc1OC ZINC000848662636 1057229128 /nfs/dbraw/zinc/22/91/28/1057229128.db2.gz CCUZQCFMTHGHOW-UHFFFAOYSA-N 0 0 377.506 3.984 20 10 GHCDRN CN(Cc1ccc(N2CCN(C)CC2)c(F)c1)Cc1cc(F)c(F)c(F)c1 ZINC001324967138 1057255297 /nfs/dbraw/zinc/25/52/97/1057255297.db2.gz KXQZUPQEVVRAPT-UHFFFAOYSA-N 0 0 381.417 3.627 20 10 GHCDRN COc1ccc(CNC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)c(O)c1 ZINC001325004283 1057261874 /nfs/dbraw/zinc/26/18/74/1057261874.db2.gz NEBPJGLDMPRFRV-UHFFFAOYSA-N 0 0 395.459 3.823 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc2c(cn1)OCCC2 ZINC001325171931 1057283870 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GHCDRN CO[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1 ZINC001327046292 1057588988 /nfs/dbraw/zinc/58/89/88/1057588988.db2.gz IYSPMYAGNKZSJL-BHYGNILZSA-N 0 0 379.932 3.943 20 10 GHCDRN C[C@@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1cc(Br)cc(F)c1[O-] ZINC001337795158 1058266407 /nfs/dbraw/zinc/26/64/07/1058266407.db2.gz BXHXBGBXYJBWTL-NWDGAFQWSA-N 0 0 387.293 3.593 20 10 GHCDRN CN(C)c1ccc(CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc1 ZINC001440649258 1058557692 /nfs/dbraw/zinc/55/76/92/1058557692.db2.gz WMNAEXHZAQDRPT-QGZVFWFLSA-N 0 0 377.529 3.698 20 10 GHCDRN COc1c(F)cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(N)c1F ZINC001440681046 1058580831 /nfs/dbraw/zinc/58/08/31/1058580831.db2.gz DMGOYLSUANDZTJ-UHFFFAOYSA-N 0 0 389.446 3.818 20 10 GHCDRN Cc1cc(CC(=O)Nc2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1 ZINC001440824533 1058631977 /nfs/dbraw/zinc/63/19/77/1058631977.db2.gz COTBGLPFKZEIQP-UHFFFAOYSA-N 0 0 397.500 3.647 20 10 GHCDRN CCn1c(C2SC=CC2=O)nnc1N1CCC(OCc2ccccc2)CC1 ZINC001339368471 1059149440 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COc1ccc(N2CCN(C(=O)c3ccc(F)c(C(F)F)c3)CC2)cc1F ZINC001445854281 1059636309 /nfs/dbraw/zinc/63/63/09/1059636309.db2.gz SDMJPCKZSVRUOO-UHFFFAOYSA-N 0 0 382.357 3.873 20 10 GHCDRN CCNc1ccc(C(=O)OCC)cc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001445907237 1059651923 /nfs/dbraw/zinc/65/19/23/1059651923.db2.gz FFFRSYUKPAZDTM-UHFFFAOYSA-N 0 0 383.408 3.710 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(Cl)cc(Br)c2N)c1 ZINC001445967378 1059665684 /nfs/dbraw/zinc/66/56/84/1059665684.db2.gz KKWOOOSKBUPORU-MRVPVSSYSA-N 0 0 399.672 3.890 20 10 GHCDRN C[C@H](NC(=O)N(C)Cc1cc2ccccc2[nH]1)c1ccc(N2CCOCC2)cc1 ZINC001340086968 1059685813 /nfs/dbraw/zinc/68/58/13/1059685813.db2.gz FTKLIULGYVOFGM-KRWDZBQOSA-N 0 0 392.503 3.907 20 10 GHCDRN C[C@H](NC(=O)C[C@@H]1CCNc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC001340192432 1059754166 /nfs/dbraw/zinc/75/41/66/1059754166.db2.gz WWMAAAIEJRHELS-HKUYNNGSSA-N 0 0 379.504 3.690 20 10 GHCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC001446499381 1059783939 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ZINC000472138141 846088298 /nfs/dbraw/zinc/08/82/98/846088298.db2.gz JUCIXWRFRHYEQQ-UHFFFAOYSA-N 0 0 387.487 3.887 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000161115507 846110148 /nfs/dbraw/zinc/11/01/48/846110148.db2.gz NNVBLQHHAAPLMD-NJYVYQBISA-N 0 0 383.536 3.776 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1CCCC[C@@H]1C1CC1 ZINC000843605756 846420488 /nfs/dbraw/zinc/42/04/88/846420488.db2.gz SOIVYWGXWPAWKD-IAGOWNOFSA-N 0 0 378.463 3.634 20 10 GHCDRN COc1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)cc1C ZINC000280490190 846422477 /nfs/dbraw/zinc/42/24/77/846422477.db2.gz LGTWMEVIIAYCDX-UHFFFAOYSA-N 0 0 383.492 3.813 20 10 GHCDRN O=S(=O)(c1ccc(F)c(Cl)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000158130002 846986922 /nfs/dbraw/zinc/98/69/22/846986922.db2.gz IZXJRYIDJLJDBF-CQSZACIVSA-N 0 0 399.871 3.555 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)Cc3ccc4c(c3)CCC4)cc2F)C[C@H](C)O1 ZINC000108288284 847069112 /nfs/dbraw/zinc/06/91/12/847069112.db2.gz QKFNZFXLYIQDOH-CALCHBBNSA-N 0 0 396.506 3.787 20 10 GHCDRN COc1cc(CN(C)C(=O)/C=C/c2ccc(O)c(O)c2)c(SC)cc1OC ZINC000272659720 847137249 /nfs/dbraw/zinc/13/72/49/847137249.db2.gz OKCKXQXHFQNBEH-SOFGYWHQSA-N 0 0 389.473 3.509 20 10 GHCDRN COCCC1(c2noc(-c3ccc(NC(=O)C4=S=CC=C4)c(C)c3)n2)CCC1 ZINC000420516492 847251654 /nfs/dbraw/zinc/25/16/54/847251654.db2.gz YQPBULCPAXSIMF-UHFFFAOYSA-N 0 0 397.500 3.719 20 10 GHCDRN COc1ccc(CNC(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)c(O)c1 ZINC000375707334 847279461 /nfs/dbraw/zinc/27/94/61/847279461.db2.gz YJJDZXJWOYQQQP-UHFFFAOYSA-N 0 0 395.381 3.600 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000731651798 861777928 /nfs/dbraw/zinc/77/79/28/861777928.db2.gz GBJOYMVCKYQOIM-OAQYLSRUSA-N 0 0 391.446 3.769 20 10 GHCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2cc(C(=O)N3CCCC3)ccc2OC)c1 ZINC000273452055 847342082 /nfs/dbraw/zinc/34/20/82/847342082.db2.gz OUWDJULPMSZJAU-CQSZACIVSA-N 0 0 398.459 3.597 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCc2nc(-c3ccncc3)cs2)c1 ZINC000273461515 847345200 /nfs/dbraw/zinc/34/52/00/847345200.db2.gz IDITXPODOLOIEF-CYBMUJFWSA-N 0 0 383.473 3.591 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)c1 ZINC000273581535 847377155 /nfs/dbraw/zinc/37/71/55/847377155.db2.gz MTPSVSDPBGNLHK-NEPJUHHUSA-N 0 0 377.412 3.747 20 10 GHCDRN COc1cccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1F ZINC000761361895 861844392 /nfs/dbraw/zinc/84/43/92/861844392.db2.gz WMLGLIPCRIXAQD-OKILXGFUSA-N 0 0 390.430 3.517 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)Nc3cnc(C(F)F)c(C)c3)C2)cc1 ZINC000934593736 848048814 /nfs/dbraw/zinc/04/88/14/848048814.db2.gz QVFHUGZHECDGLI-AWEZNQCLSA-N 0 0 390.434 3.984 20 10 GHCDRN CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588562146 848803446 /nfs/dbraw/zinc/80/34/46/848803446.db2.gz FDDBQSCROQTSRG-OQFOIZHKSA-N 0 0 381.350 3.667 20 10 GHCDRN CCCN(Cc1cccc(OC)c1O)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000162313040 848897554 /nfs/dbraw/zinc/89/75/54/848897554.db2.gz HAVUNYANEYNTSZ-UHFFFAOYSA-N 0 0 387.867 3.703 20 10 GHCDRN COC[C@H](Cc1ccccc1)N(C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472279134 849016404 /nfs/dbraw/zinc/01/64/04/849016404.db2.gz RYGQMUSAZKLGOW-IBGZPJMESA-N 0 0 379.504 3.886 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@@H]2CN2CCCC2=O)cc1 ZINC000732019011 862020926 /nfs/dbraw/zinc/02/09/26/862020926.db2.gz BWKYRFZBEVSJMC-OAQYLSRUSA-N 0 0 379.504 3.711 20 10 GHCDRN c1nc(SCc2nnc3n2CCCC3)n(C[C@H]2CCCO2)c1-c1ccccc1 ZINC000278184409 849554881 /nfs/dbraw/zinc/55/48/81/849554881.db2.gz FLADMXWVGZKUQW-QGZVFWFLSA-N 0 0 395.532 3.949 20 10 GHCDRN COc1ccc(N(CC(=O)NCC(=O)c2cccs2)Cc2ccccc2)cc1 ZINC000732197195 862141813 /nfs/dbraw/zinc/14/18/13/862141813.db2.gz WZGVCNCMYBGQAD-UHFFFAOYSA-N 0 0 394.496 3.762 20 10 GHCDRN COCCN(CC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(OC)c(OC)c1 ZINC000174799266 850823720 /nfs/dbraw/zinc/82/37/20/850823720.db2.gz MJOHARSOUGAQJB-UHFFFAOYSA-N 0 0 396.846 3.588 20 10 GHCDRN COc1ccc(O)c(CNC(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)c1 ZINC000155711512 850989166 /nfs/dbraw/zinc/98/91/66/850989166.db2.gz LBQVOUFIDKYBMR-HNNXBMFYSA-N 0 0 390.308 3.782 20 10 GHCDRN Cc1cc(C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)c(C)n1-c1cccc(Cl)c1 ZINC000729449260 851220872 /nfs/dbraw/zinc/22/08/72/851220872.db2.gz OVZCUEONIFRPMJ-HZPDHXFCSA-N 0 0 389.927 3.587 20 10 GHCDRN CC(C)(C)c1cc(NC(=O)COC(=O)C2=CC(=O)CS2)n(-c2ccccc2)n1 ZINC000732354086 862222054 /nfs/dbraw/zinc/22/20/54/862222054.db2.gz ONYRNGXAJNUAPH-UHFFFAOYSA-N 0 0 399.472 3.732 20 10 GHCDRN Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)C2=CC(=O)CS2)o1 ZINC000732353780 862222415 /nfs/dbraw/zinc/22/24/15/862222415.db2.gz VGPSZUXOEBIHGP-UHFFFAOYSA-N 0 0 383.385 3.824 20 10 GHCDRN COc1cccc(NC(=O)[C@@H](OC(=O)C2=CC(=O)CS2)c2ccccc2)c1 ZINC000732354452 862223353 /nfs/dbraw/zinc/22/33/53/862223353.db2.gz MRBBFBLQNJJNDT-SFHVURJKSA-N 0 0 383.425 3.999 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(OC)nc1 ZINC000175008868 851306490 /nfs/dbraw/zinc/30/64/90/851306490.db2.gz JURNQKJDRJJOKS-UHFFFAOYSA-N 0 0 380.242 3.612 20 10 GHCDRN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc(O)cc2O)c1 ZINC000910951871 851477007 /nfs/dbraw/zinc/47/70/07/851477007.db2.gz WTJNIDLSVPHHAX-UHFFFAOYSA-N 0 0 376.840 3.666 20 10 GHCDRN Cc1sc2ncnc(SCCC(=O)NCc3ccc(O)cc3O)c2c1C ZINC000910952788 851477966 /nfs/dbraw/zinc/47/79/66/851477966.db2.gz YZXYVBJOLDCMBK-UHFFFAOYSA-N 0 0 389.502 3.518 20 10 GHCDRN O=C(CCCCOc1ccc(Br)cc1)NCc1ccc(O)cc1O ZINC000910955648 851479194 /nfs/dbraw/zinc/47/91/94/851479194.db2.gz RWVMOOHXFJGQNI-UHFFFAOYSA-N 0 0 394.265 3.726 20 10 GHCDRN CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cncc(O)c3)c2C)cc1 ZINC000732393948 862257976 /nfs/dbraw/zinc/25/79/76/862257976.db2.gz FGOQYQMUIPLOAA-UHFFFAOYSA-N 0 0 394.427 3.633 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000550232625 852087767 /nfs/dbraw/zinc/08/77/67/852087767.db2.gz XDIDZHGPYMKOER-RCCFBDPRSA-N 0 0 381.520 3.578 20 10 GHCDRN COc1ccc(CN2CCC[C@H]2c2ccc(Br)cn2)c(O)c1OC ZINC000894812807 852251255 /nfs/dbraw/zinc/25/12/55/852251255.db2.gz IJQQJSMSBYQONV-HNNXBMFYSA-N 0 0 393.281 3.904 20 10 GHCDRN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cnnn1Cc1ccccc1 ZINC000426908970 852523548 /nfs/dbraw/zinc/52/35/48/852523548.db2.gz JIVRHJRBQCYBKQ-YBEGLDIGSA-N 0 0 389.484 3.659 20 10 GHCDRN CCOc1ccc(OCCCC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000437015453 852623155 /nfs/dbraw/zinc/62/31/55/852623155.db2.gz VESYJPNXCONZFQ-UHFFFAOYSA-N 0 0 384.476 3.736 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccnc(SCC(F)(F)F)c1 ZINC000437019991 852631438 /nfs/dbraw/zinc/63/14/38/852631438.db2.gz PLFFFRWTPIHCPB-UHFFFAOYSA-N 0 0 397.422 3.841 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCc4ccc(O)cc4C3)ccc21 ZINC000490149388 852770891 /nfs/dbraw/zinc/77/08/91/852770891.db2.gz SEABXMPXXKQXPP-UHFFFAOYSA-N 0 0 378.472 3.809 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000151044467 852988879 /nfs/dbraw/zinc/98/88/79/852988879.db2.gz LQUQLUHQXHTQRA-JOCHJYFZSA-N 0 0 393.487 3.942 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)c3cccnc3N(C)C)cc2Cl)C1 ZINC001270433297 853212270 /nfs/dbraw/zinc/21/22/70/853212270.db2.gz SZFPHPKIZJODAY-OAHLLOKOSA-N 0 0 386.927 3.967 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)[C@H](C)Oc3cccc(Cl)c3)CC2)cc1 ZINC000108431805 853277429 /nfs/dbraw/zinc/27/74/29/853277429.db2.gz UCNJMIDHXHWJTN-INIZCTEOSA-N 0 0 388.895 3.855 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N3C[C@@H](C)C[C@H]3c3cccnc3)CC2)cc1 ZINC000185918716 862470210 /nfs/dbraw/zinc/47/02/10/862470210.db2.gz FQTYHFIJGXAJKC-JTSKRJEESA-N 0 0 394.519 3.852 20 10 GHCDRN CCOC(=O)CN(C(=O)/C=C\c1cccnc1)c1cc(Cl)cc(Cl)c1 ZINC000760638108 853529285 /nfs/dbraw/zinc/52/92/85/853529285.db2.gz IJOUUHZGQSLQKM-WAYWQWQTSA-N 0 0 379.243 3.998 20 10 GHCDRN CCCc1c(NCc2ccc(N3CCOCC3)cc2)cnn1-c1cc(C)ccn1 ZINC000760651274 853589565 /nfs/dbraw/zinc/58/95/65/853589565.db2.gz DCFXJGFDVMLCGV-UHFFFAOYSA-N 0 0 391.519 3.977 20 10 GHCDRN Cc1ccc2[nH]c3c(c2c1)CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)CC3 ZINC000729480593 853605318 /nfs/dbraw/zinc/60/53/18/853605318.db2.gz HVXDQQQUKNSMMA-UHFFFAOYSA-N 0 0 390.531 3.559 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCCCc3ccccc3)cc2F)C[C@H](C)O1 ZINC000108454833 853626010 /nfs/dbraw/zinc/62/60/10/853626010.db2.gz LMPDSSQQSOXOSL-HDICACEKSA-N 0 0 399.510 3.871 20 10 GHCDRN C[C@@H]1CC[C@@H](C)N1C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S ZINC001127094091 853655577 /nfs/dbraw/zinc/65/55/77/853655577.db2.gz BNLIKHFFNFKMNE-BPLGGGKVSA-N 0 0 392.521 3.816 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccncc1OCC(F)F ZINC000440986042 853794984 /nfs/dbraw/zinc/79/49/84/853794984.db2.gz FPDVSYJGSBPYFS-UHFFFAOYSA-N 0 0 388.418 3.525 20 10 GHCDRN O=C(CCSc1ccc(F)cc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000055522457 853926798 /nfs/dbraw/zinc/92/67/98/853926798.db2.gz OTEPZLLMSLDSRP-UHFFFAOYSA-N 0 0 392.471 3.600 20 10 GHCDRN O=C(/C=C/c1ccc(Cl)s1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000055523822 853927444 /nfs/dbraw/zinc/92/74/44/853927444.db2.gz XPVWRGWIDAATGV-ZZXKWVIFSA-N 0 0 380.872 3.707 20 10 GHCDRN CC(C)n1cc([C@H](C)NC(=O)NCc2ccc(N3CCSCC3)cc2)cn1 ZINC000732822458 862522762 /nfs/dbraw/zinc/52/27/62/862522762.db2.gz FGDQREDCCNDWDW-INIZCTEOSA-N 0 0 387.553 3.578 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000571793562 854157136 /nfs/dbraw/zinc/15/71/36/854157136.db2.gz UKYWDSBIYIITKL-HNAYVOBHSA-N 0 0 393.487 3.696 20 10 GHCDRN Cc1[nH]c2ccccc2c1C1=CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000589586637 855023359 /nfs/dbraw/zinc/02/33/59/855023359.db2.gz YEHZKYWSHQBOBO-UHFFFAOYSA-N 0 0 378.432 3.753 20 10 GHCDRN Cc1[nH]c2ccccc2c1C1=CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000589586659 855023397 /nfs/dbraw/zinc/02/33/97/855023397.db2.gz YNNUXQUJRAKYMO-UHFFFAOYSA-N 0 0 376.416 3.777 20 10 GHCDRN C[C@@H]([NH2+]Cc1nnc(COc2ccccc2)[n-]1)c1cc2c(cc1O)CCCC2 ZINC000186430428 855236943 /nfs/dbraw/zinc/23/69/43/855236943.db2.gz ZRPWRRFOXWPYKS-OAHLLOKOSA-N 0 0 378.476 3.819 20 10 GHCDRN Cc1ccc2oc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc2c1 ZINC000057176698 855262962 /nfs/dbraw/zinc/26/29/62/855262962.db2.gz QURFOUAFLOJGHN-UHFFFAOYSA-N 0 0 382.435 3.771 20 10 GHCDRN CC[C@H](C)Oc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000057738093 855627427 /nfs/dbraw/zinc/62/74/27/855627427.db2.gz GBTAQHILVDEVHJ-INIZCTEOSA-N 0 0 395.503 3.501 20 10 GHCDRN C[C@H](Oc1ccc(F)cc1Cl)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000733099549 862716599 /nfs/dbraw/zinc/71/65/99/862716599.db2.gz HYIFMCYEESDQAS-ZDUSSCGKSA-N 0 0 376.859 3.945 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C ZINC000765856862 855790326 /nfs/dbraw/zinc/79/03/26/855790326.db2.gz CXLSBRNPBDTTPQ-IERDGZPVSA-N 0 0 376.497 3.824 20 10 GHCDRN CC(C)n1cc2c(n1)[C@@H](NC(=O)NCc1ccc3c(c1)CCCN3C)CCC2 ZINC000765880600 855882369 /nfs/dbraw/zinc/88/23/69/855882369.db2.gz LLXAKQMYNOKFHJ-IBGZPJMESA-N 0 0 381.524 3.723 20 10 GHCDRN CCOc1ccc(C2=N/C(=C\c3ccc(N(C)CCC#N)cc3)C(=O)O2)cc1 ZINC000006250626 855900959 /nfs/dbraw/zinc/90/09/59/855900959.db2.gz OTVWJGAGNXEDQT-HKWRFOASSA-N 0 0 375.428 3.780 20 10 GHCDRN C[C@@H]1CCCC[C@H]1OCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000733144920 862740536 /nfs/dbraw/zinc/74/05/36/862740536.db2.gz VIXCYRFXAXXQFL-STZQEDGTSA-N 0 0 388.552 3.856 20 10 GHCDRN C[C@@H](CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)n1cccc1 ZINC000729522836 856066779 /nfs/dbraw/zinc/06/67/79/856066779.db2.gz VHHJDZDDJXMTBK-HNNXBMFYSA-N 0 0 395.425 3.611 20 10 GHCDRN COc1cc([C@@H](C)NC(=O)Cc2ccc(N)cc2)ccc1OCc1ccncc1 ZINC000237236164 856320608 /nfs/dbraw/zinc/32/06/08/856320608.db2.gz IKSXEVQGCZYZGU-MRXNPFEDSA-N 0 0 391.471 3.671 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(-c2ccncc2)nn1C ZINC000905459383 856347737 /nfs/dbraw/zinc/34/77/37/856347737.db2.gz ABWUGWAEPPNGBI-UHFFFAOYSA-N 0 0 389.503 3.745 20 10 GHCDRN C[C@@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)COCc1ccccc1 ZINC000195737453 856361136 /nfs/dbraw/zinc/36/11/36/856361136.db2.gz QBAMVCWWUAYCTK-SFHVURJKSA-N 0 0 381.520 3.721 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3c(C)onc3-c3ccc(F)cc3)CC2)cc1 ZINC000046127896 856501569 /nfs/dbraw/zinc/50/15/69/856501569.db2.gz FWOLOSDCOMWFQM-UHFFFAOYSA-N 0 0 395.434 3.760 20 10 GHCDRN Oc1cc(O)c(CCNc2nc(-c3cccnc3)nc3sccc32)cc1O ZINC001168010374 856637700 /nfs/dbraw/zinc/63/77/00/856637700.db2.gz UYDPFCYODKEVHP-UHFFFAOYSA-N 0 0 380.429 3.525 20 10 GHCDRN C[C@H]([NH2+]CCCOC[C@@H]1CCCO1)c1cc(Br)c(F)cc1[O-] ZINC000756359682 856706126 /nfs/dbraw/zinc/70/61/26/856706126.db2.gz QIMIPFJMXNPRRK-RYUDHWBXSA-N 0 0 376.266 3.530 20 10 GHCDRN Cc1cc(CCN2C(=O)[C@@H]3[C@H]4CCC[C@@H]4CN3C2=O)c(C)n1-c1ccccc1 ZINC000760968728 856823458 /nfs/dbraw/zinc/82/34/58/856823458.db2.gz IVYYTKROQNXPRS-GIVPXCGWSA-N 0 0 377.488 3.699 20 10 GHCDRN CC(C)(C)OC(=O)NC1CC(CC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000906111688 856837562 /nfs/dbraw/zinc/83/75/62/856837562.db2.gz KBXRZKIAGJVTEI-UHFFFAOYSA-N 0 0 387.524 3.596 20 10 GHCDRN FC(F)(F)Oc1cc(Br)ccc1-c1noc(-c2csnn2)n1 ZINC001212361758 856939000 /nfs/dbraw/zinc/93/90/00/856939000.db2.gz FGLJCKABQZYUMI-UHFFFAOYSA-N 0 0 393.144 3.916 20 10 GHCDRN CC(=O)CCn1cc(CN(Cc2ccccc2O)[C@@H](C)c2ccccc2)nn1 ZINC000906282332 856963872 /nfs/dbraw/zinc/96/38/72/856963872.db2.gz YDFRPWDGACVHLK-SFHVURJKSA-N 0 0 378.476 3.726 20 10 GHCDRN CC1(C)CCCN1C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S ZINC001128184927 857130886 /nfs/dbraw/zinc/13/08/86/857130886.db2.gz ILRDHCGPJGYXJO-NTCAYCPXSA-N 0 0 392.521 3.818 20 10 GHCDRN Cc1cc(N2CCOCC2)ccc1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000058621686 857176560 /nfs/dbraw/zinc/17/65/60/857176560.db2.gz OTVXUFDWQNREAD-UHFFFAOYSA-N 0 0 394.519 3.536 20 10 GHCDRN Cc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)nn1-c1ccc(C)cc1 ZINC000181489516 862899532 /nfs/dbraw/zinc/89/95/32/862899532.db2.gz JDLGQEJBOMCLRB-UHFFFAOYSA-N 0 0 376.460 3.594 20 10 GHCDRN O=C(OCCCCCn1cccn1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000733385887 862908297 /nfs/dbraw/zinc/90/82/97/862908297.db2.gz QEVLGKNNLJYMAG-UHFFFAOYSA-N 0 0 388.423 3.686 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)NCCn3cnc4ccccc43)ccc21 ZINC000486109590 857439179 /nfs/dbraw/zinc/43/91/79/857439179.db2.gz 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/nfs/dbraw/zinc/06/91/50/886069150.db2.gz YVOMXHSXVWBESS-INIZCTEOSA-N 0 0 376.865 3.507 20 10 GHCDRN Cc1ccc(C)c(OCCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000118725399 886111006 /nfs/dbraw/zinc/11/10/06/886111006.db2.gz WVFYNDDSOGTXSR-UHFFFAOYSA-N 0 0 396.531 3.597 20 10 GHCDRN Cc1cc(CNC(=O)C(=O)Nc2scnc2C(C)C)c(C)n1-c1ccccc1 ZINC000862109389 886118305 /nfs/dbraw/zinc/11/83/05/886118305.db2.gz SXGKXDOQRPJFGP-UHFFFAOYSA-N 0 0 396.516 3.929 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000118775245 886190685 /nfs/dbraw/zinc/19/06/85/886190685.db2.gz UBGXBXOWOUQNRM-UHFFFAOYSA-N 0 0 387.789 3.920 20 10 GHCDRN Cc1ccccc1C(=O)NC1CCN(Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862219134 886216492 /nfs/dbraw/zinc/21/64/92/886216492.db2.gz DSHIBGBDACKAAE-UHFFFAOYSA-N 0 0 387.474 3.734 20 10 GHCDRN COc1ccc2[nH]cc(CC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)c2c1 ZINC000915284354 886229349 /nfs/dbraw/zinc/22/93/49/886229349.db2.gz HZENRLADNGOKJX-UHFFFAOYSA-N 0 0 377.488 3.976 20 10 GHCDRN Cc1cc(CC(=O)N2CC[S@](=O)C[C@@H](C)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000762539813 886356381 /nfs/dbraw/zinc/35/63/81/886356381.db2.gz SBTZFXGZWICXEI-RXBISOJRSA-N 0 0 392.952 3.517 20 10 GHCDRN C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000118954116 886394048 /nfs/dbraw/zinc/39/40/48/886394048.db2.gz WEWJHGNUYNOYLI-KKSFZXQISA-N 0 0 383.467 3.513 20 10 GHCDRN O=S(=O)(Nc1cccc(N2CCCC2)c1)c1ccc(Br)c(F)c1 ZINC000323017196 886473612 /nfs/dbraw/zinc/47/36/12/886473612.db2.gz HSGFLWNKZJNHNE-UHFFFAOYSA-N 0 0 399.285 3.989 20 10 GHCDRN CN(C)c1ccc(CN(C)Cn2ncn(CCc3cccs3)c2=S)cc1 ZINC000014213279 886539261 /nfs/dbraw/zinc/53/92/61/886539261.db2.gz NWKJMEBNGHGPIB-UHFFFAOYSA-N 0 0 387.578 3.874 20 10 GHCDRN CCn1c(SCC(=O)NCc2cc(C)ccc2O)nnc1-c1cccc(C)c1 ZINC000862759362 886587011 /nfs/dbraw/zinc/58/70/11/886587011.db2.gz DPBSFQLTMZSHEA-UHFFFAOYSA-N 0 0 396.516 3.696 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000862758979 886587251 /nfs/dbraw/zinc/58/72/51/886587251.db2.gz RWSNEKDBHDDCRM-AWEZNQCLSA-N 0 0 393.270 3.677 20 10 GHCDRN Cc1cc(C(=O)N2CCC(NC(=O)C3CC3)CC2)c(C)n1-c1ccccc1C ZINC000042080798 886750378 /nfs/dbraw/zinc/75/03/78/886750378.db2.gz ZPQCZGFVPLJEDX-UHFFFAOYSA-N 0 0 379.504 3.533 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)Nc3ccc4c(c3)C(=O)OC4)cc2)CC1 ZINC000808881447 886885231 /nfs/dbraw/zinc/88/52/31/886885231.db2.gz JSZRKKDLWRQFDP-UHFFFAOYSA-N 0 0 379.460 3.915 20 10 GHCDRN Cc1cc(CNC(=O)c2cc3c([nH]c2=O)CCCC3=O)c(C)n1-c1ccccc1 ZINC000863166177 886901657 /nfs/dbraw/zinc/90/16/57/886901657.db2.gz LJMAJYVXRMIQPI-UHFFFAOYSA-N 0 0 389.455 3.644 20 10 GHCDRN COc1cc(Cl)c(NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1C ZINC000808899487 886908250 /nfs/dbraw/zinc/90/82/50/886908250.db2.gz BTPPHZGMVQZJCB-UHFFFAOYSA-N 0 0 389.883 3.815 20 10 GHCDRN O=C(NC1(C(=O)CSc2ncc(Cl)s2)CC1)OCc1ccccc1 ZINC000863348388 887047455 /nfs/dbraw/zinc/04/74/55/887047455.db2.gz TXKBEILHNXKGIN-UHFFFAOYSA-N 0 0 382.894 3.917 20 10 GHCDRN Cc1cc(C(=O)C[N@@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000863531822 887195993 /nfs/dbraw/zinc/19/59/93/887195993.db2.gz FQXNXBDAGAJRIJ-UZLBHIALSA-N 0 0 382.504 3.936 20 10 GHCDRN NC(=O)c1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1Cl ZINC000863986910 887502295 /nfs/dbraw/zinc/50/22/95/887502295.db2.gz KHAIWAXWGRLWAE-UHFFFAOYSA-N 0 0 388.855 3.950 20 10 GHCDRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1C[C@H](c2ccccc2)OC1=O ZINC000809636502 887639337 /nfs/dbraw/zinc/63/93/37/887639337.db2.gz XWCWCESQPLFCGE-NHCUHLMSSA-N 0 0 378.472 3.598 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccc(C)c(Cl)c3F)CC2)c(OC)c1 ZINC001131806557 887656192 /nfs/dbraw/zinc/65/61/92/887656192.db2.gz MZZVCDBVXNUVPO-UHFFFAOYSA-N 0 0 392.858 3.767 20 10 GHCDRN C[N@H+](Cc1cc(Br)cc(Br)c1[O-])[C@H]1CCCOC1 ZINC000809693708 887669903 /nfs/dbraw/zinc/66/99/03/887669903.db2.gz YZJFTXVZLZJSHX-NSHDSACASA-N 0 0 379.092 3.528 20 10 GHCDRN COc1ccc(-c2ocnc2C(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000809695381 887671654 /nfs/dbraw/zinc/67/16/54/887671654.db2.gz JJBHHILETLIMEA-UHFFFAOYSA-N 0 0 378.428 3.865 20 10 GHCDRN C[C@@H]1CO[C@H](C(F)(F)F)CN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809695825 887674292 /nfs/dbraw/zinc/67/42/92/887674292.db2.gz ABOCERAFINWLOC-DYVFJYSZSA-N 0 0 387.402 3.737 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)c2cccnc2N2CCCCC2)C2CC2)cc1 ZINC000915847751 887692420 /nfs/dbraw/zinc/69/24/20/887692420.db2.gz OBBOLDDMSNJTDC-UHFFFAOYSA-N 0 0 378.520 3.943 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H](c4ccccc4)OC3=O)cc2)CC1 ZINC000809672151 887694605 /nfs/dbraw/zinc/69/46/05/887694605.db2.gz NAMQDJCTBRBBDH-VXKWHMMOSA-N 0 0 392.499 3.844 20 10 GHCDRN CCC[C@]1([NH2+]Cc2cc(Br)cc(Br)c2[O-])CCOC1 ZINC000809704123 887722768 /nfs/dbraw/zinc/72/27/68/887722768.db2.gz VUASPQCMHYJGEW-AWEZNQCLSA-N 0 0 393.119 3.966 20 10 GHCDRN COc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)c(Br)c1 ZINC000794686330 887759508 /nfs/dbraw/zinc/75/95/08/887759508.db2.gz NZTVOKBGJCQTKB-NTEUORMPSA-N 0 0 381.295 3.914 20 10 GHCDRN COc1cc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)ccc1O ZINC000797820344 887765649 /nfs/dbraw/zinc/76/56/49/887765649.db2.gz SKOQNIZVDRTLHQ-UHFFFAOYSA-N 0 0 392.658 3.618 20 10 GHCDRN COCCC[N@H+](Cc1ccncc1)Cc1cc(C)cc(Br)c1[O-] ZINC000809741567 887775350 /nfs/dbraw/zinc/77/53/50/887775350.db2.gz YZBIPMCLODMNTG-UHFFFAOYSA-N 0 0 379.298 3.897 20 10 GHCDRN COc1cccc(CN2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)c1O ZINC000809786467 887838168 /nfs/dbraw/zinc/83/81/68/887838168.db2.gz CCUOGAWWYGQWST-QGZVFWFLSA-N 0 0 383.366 3.873 20 10 GHCDRN COc1ccc(N2CCN(C(=O)COc3ccc4[nH]c(C)c(C)c4c3)CC2)cc1 ZINC000794729226 887952313 /nfs/dbraw/zinc/95/23/13/887952313.db2.gz DOUQZYVJGHZHEZ-UHFFFAOYSA-N 0 0 393.487 3.521 20 10 GHCDRN CO[C@H](C)c1nsc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000809924556 887975345 /nfs/dbraw/zinc/97/53/45/887975345.db2.gz PSQXMKDTGRGCMG-GFCCVEGCSA-N 0 0 375.498 3.508 20 10 GHCDRN CO[C@H](C)c1nsc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000809925643 887977650 /nfs/dbraw/zinc/97/76/50/887977650.db2.gz OPJQPUSZAJVQGD-CYBMUJFWSA-N 0 0 377.514 3.754 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+]Cc2ccc(NC(=O)N(C)C)cc2)c1 ZINC000794753406 887993328 /nfs/dbraw/zinc/99/33/28/887993328.db2.gz FCLVDTPBKHBKLT-UHFFFAOYSA-N 0 0 392.297 3.846 20 10 GHCDRN CC(C)(C)C(=O)NCc1ccc(C(=O)NCCCSc2nccs2)cc1 ZINC000120361892 888177138 /nfs/dbraw/zinc/17/71/38/888177138.db2.gz POUCJPFOFHVDHL-UHFFFAOYSA-N 0 0 391.562 3.718 20 10 GHCDRN C[C@@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1cc(Cl)ccc1O ZINC000794827712 888243106 /nfs/dbraw/zinc/24/31/06/888243106.db2.gz HQMOAMNUSNJLDT-RFAUZJTJSA-N 0 0 383.673 3.685 20 10 GHCDRN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N(C)Cc3ccccc3O)C2)c1 ZINC000136941325 888324241 /nfs/dbraw/zinc/32/42/41/888324241.db2.gz PICHAOKENWXZID-GOSISDBHSA-N 0 0 381.476 3.603 20 10 GHCDRN CN(c1ccc(CNCc2cn(C[C@H]3CCCO3)nn2)cc1)C1CCCCC1 ZINC000865436102 888348870 /nfs/dbraw/zinc/34/88/70/888348870.db2.gz UQRJBTGFOGDTQI-JOCHJYFZSA-N 0 0 383.540 3.516 20 10 GHCDRN CC(C)(C)c1ccc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)s1 ZINC000763279512 888436781 /nfs/dbraw/zinc/43/67/81/888436781.db2.gz BKJLMIIZDXZIPO-INIZCTEOSA-N 0 0 399.560 3.677 20 10 GHCDRN COc1cccc(C2(NC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000120788683 888622254 /nfs/dbraw/zinc/62/22/54/888622254.db2.gz WKLJFOFYXUUAFV-KRWDZBQOSA-N 0 0 395.503 3.581 20 10 GHCDRN O=C(Nc1ccccc1)C1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000120816007 888656484 /nfs/dbraw/zinc/65/64/84/888656484.db2.gz KCYPGMBTAHWSKH-UHFFFAOYSA-N 0 0 389.839 3.805 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)[C@H]3C[C@H]3c3cccc(F)c3F)CC2)cc1 ZINC000153860674 888755234 /nfs/dbraw/zinc/75/52/34/888755234.db2.gz IIEHKAOOCWSSOC-OALUTQOASA-N 0 0 386.442 3.862 20 10 GHCDRN CN(CCOc1ccc(Br)cc1)C(=O)CSc1nccs1 ZINC000916144968 888765756 /nfs/dbraw/zinc/76/57/56/888765756.db2.gz CECPFYKELFBFIH-UHFFFAOYSA-N 0 0 387.324 3.535 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CNc1ccccc1OC ZINC000120987522 888804573 /nfs/dbraw/zinc/80/45/73/888804573.db2.gz AJODLSRTZHMVOI-UHFFFAOYSA-N 0 0 393.281 3.624 20 10 GHCDRN CCCNC(=O)C1CCN(CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)CC1 ZINC000121060636 888873069 /nfs/dbraw/zinc/87/30/69/888873069.db2.gz JNRNULCILNVLSM-UHFFFAOYSA-N 0 0 399.510 3.654 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)c1 ZINC000866559017 888932537 /nfs/dbraw/zinc/93/25/37/888932537.db2.gz ASIWLBNJAZMTTI-LLVKDONJSA-N 0 0 397.397 3.581 20 10 GHCDRN Cc1cn(C2CCOCC2)nc1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000866595806 888957202 /nfs/dbraw/zinc/95/72/02/888957202.db2.gz NVHQCFPCRFILBP-UHFFFAOYSA-N 0 0 395.459 3.684 20 10 GHCDRN Cc1ccc2c(c1)[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)CO2 ZINC000121128993 888957658 /nfs/dbraw/zinc/95/76/58/888957658.db2.gz LBXKZEIZSSMXOS-MJGOQNOKSA-N 0 0 382.460 3.525 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C1(c2ccccn2)CC1 ZINC000866603070 888963369 /nfs/dbraw/zinc/96/33/69/888963369.db2.gz DFXVBWHABNRXOG-UHFFFAOYSA-N 0 0 375.266 3.630 20 10 GHCDRN C[C@H](Nc1cccc2c1NC(=O)CO2)c1ccc(N2CCOCC2)cc1Cl ZINC000866633624 888986137 /nfs/dbraw/zinc/98/61/37/888986137.db2.gz WXLJBQPFBROPHL-ZDUSSCGKSA-N 0 0 387.867 3.681 20 10 GHCDRN CCN(C)C(=O)c1cccc(NC(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000496727038 889025192 /nfs/dbraw/zinc/02/51/92/889025192.db2.gz ZTXLFZPTZIRENX-UHFFFAOYSA-N 0 0 378.476 3.900 20 10 GHCDRN CC(C)Oc1cc(Br)ccc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000154005528 889044049 /nfs/dbraw/zinc/04/40/49/889044049.db2.gz UGPGUPNHVHXCIN-UHFFFAOYSA-N 0 0 394.265 3.620 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2nc(N3CCCC3)ncc2Cl)cc1 ZINC000916505357 889062187 /nfs/dbraw/zinc/06/21/87/889062187.db2.gz WIRFBSGKWUHJQS-UHFFFAOYSA-N 0 0 387.915 3.506 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc1 ZINC000916503465 889077775 /nfs/dbraw/zinc/07/77/75/889077775.db2.gz VKFYMGSPHHBOCH-UHFFFAOYSA-N 0 0 394.924 3.520 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)NCCCNc2ccc(C)cn2)cc1 ZINC000916521404 889079754 /nfs/dbraw/zinc/07/97/54/889079754.db2.gz FQURVIZZYMMGQY-UHFFFAOYSA-N 0 0 383.540 3.880 20 10 GHCDRN COc1ccc2nc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)ccc2c1 ZINC000154063017 889134183 /nfs/dbraw/zinc/13/41/83/889134183.db2.gz FTGZYWTULCUGCB-LJQANCHMSA-N 0 0 392.455 3.770 20 10 GHCDRN CC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)c3ccc(O)c(O)c3)o2)cc1 ZINC000916608921 889182212 /nfs/dbraw/zinc/18/22/12/889182212.db2.gz WUTGGHDQHWKOFS-UHFFFAOYSA-N 0 0 380.352 3.600 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(C)cnc1F ZINC000867833215 889184979 /nfs/dbraw/zinc/18/49/79/889184979.db2.gz ZFHUSHGZAVWQRZ-UHFFFAOYSA-N 0 0 387.455 3.531 20 10 GHCDRN CC(C)(C)CCNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000916631203 889203967 /nfs/dbraw/zinc/20/39/67/889203967.db2.gz JIMAEIYOMJNALL-UHFFFAOYSA-N 0 0 387.446 3.777 20 10 GHCDRN CC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 ZINC000916632553 889205342 /nfs/dbraw/zinc/20/53/42/889205342.db2.gz YTGOHHMIGJYTHD-OAHLLOKOSA-N 0 0 399.457 3.874 20 10 GHCDRN COc1ccc(N(C)CC(=O)Nc2ccccc2C(=O)NC(C)C)cc1Cl ZINC000121936479 889234244 /nfs/dbraw/zinc/23/42/44/889234244.db2.gz HNEZPISROHLJPN-UHFFFAOYSA-N 0 0 389.883 3.562 20 10 GHCDRN Cc1cncc([C@@H]2CCCN2C(=O)c2csc(Cc3ccc(N)cc3)n2)c1 ZINC000868050672 889271510 /nfs/dbraw/zinc/27/15/10/889271510.db2.gz UPYVAMSNQOGLJO-IBGZPJMESA-N 0 0 378.501 3.997 20 10 GHCDRN Cc1cc(C(=O)NC[C@@H]2CCCS2(=O)=O)c(C)n1-c1cccc(C(C)C)c1 ZINC000154113372 889286642 /nfs/dbraw/zinc/28/66/42/889286642.db2.gz VADYWXKILRKHTB-IBGZPJMESA-N 0 0 388.533 3.525 20 10 GHCDRN COc1ccc(N2CCN([C@H](C)C(=O)Nc3c(C)cccc3C)CC2)cc1F ZINC000122057469 889355669 /nfs/dbraw/zinc/35/56/69/889355669.db2.gz LFKSKFSJOUKNOE-QGZVFWFLSA-N 0 0 385.483 3.600 20 10 GHCDRN COc1ccc(N2CCN([C@@H](C)C(=O)Nc3c(C)cccc3C)CC2)cc1F ZINC000122057703 889355752 /nfs/dbraw/zinc/35/57/52/889355752.db2.gz LFKSKFSJOUKNOE-KRWDZBQOSA-N 0 0 385.483 3.600 20 10 GHCDRN C[C@H](NC(=O)NCc1nccn1CCCc1ccccc1)c1ccccc1O ZINC000868349331 889410427 /nfs/dbraw/zinc/41/04/27/889410427.db2.gz LRQMUAZPOXNDCE-KRWDZBQOSA-N 0 0 378.476 3.782 20 10 GHCDRN Cc1ccc(CNC(=O)N[C@H](C)c2ccccc2O)c(OC[C@@H]2CCOC2)c1 ZINC000868385538 889419115 /nfs/dbraw/zinc/41/91/15/889419115.db2.gz UINHSYJZFRXFJG-IAGOWNOFSA-N 0 0 384.476 3.676 20 10 GHCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)[C@@H]1CCOc2ccccc2O1 ZINC001184705938 913372707 /nfs/dbraw/zinc/37/27/07/913372707.db2.gz ZQLUPSMOIXZTFD-BFVQEGEYSA-N 0 0 389.415 3.835 20 10 GHCDRN CC(C)OCc1cc(NS(=O)(=O)CCc2cccc(Cl)c2)ccc1O ZINC000811705628 889879548 /nfs/dbraw/zinc/87/95/48/889879548.db2.gz XNHMLDOYLIXNBW-UHFFFAOYSA-N 0 0 383.897 3.955 20 10 GHCDRN COc1c(C)cc(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)cc1C ZINC000811705365 889879741 /nfs/dbraw/zinc/87/97/41/889879741.db2.gz MFQPJDFSSPFWQK-UHFFFAOYSA-N 0 0 379.478 3.743 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccnc(C(F)(F)F)c1 ZINC000454877484 889940024 /nfs/dbraw/zinc/94/00/24/889940024.db2.gz QWDRWAUINSEPMI-UHFFFAOYSA-N 0 0 376.382 3.900 20 10 GHCDRN COCCc1nc(CNc2cc(Cl)ccc2C(=O)c2ccc(F)cc2)no1 ZINC000811774154 889946460 /nfs/dbraw/zinc/94/64/60/889946460.db2.gz HNSIPCCLMRNDTC-UHFFFAOYSA-N 0 0 389.814 3.894 20 10 GHCDRN Cc1ccn(-c2ccccc2CNC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000122647555 889992695 /nfs/dbraw/zinc/99/26/95/889992695.db2.gz JDGTYLFHYAQFJD-UHFFFAOYSA-N 0 0 377.492 3.588 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CC(C)(C)[C@@H]3C3CC3)cc2F)C[C@@H](C)O1 ZINC000812008608 890196439 /nfs/dbraw/zinc/19/64/39/890196439.db2.gz CGGTWMRSGAEVFB-SXGZJXTBSA-N 0 0 389.515 3.769 20 10 GHCDRN CC[C@@H](CSC)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000774787057 913427523 /nfs/dbraw/zinc/42/75/23/913427523.db2.gz YBDUAEJXDJCGPK-ZDUSSCGKSA-N 0 0 387.496 3.698 20 10 GHCDRN CCOc1ccc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c(C)c1 ZINC000123031520 890283368 /nfs/dbraw/zinc/28/33/68/890283368.db2.gz KXXQHGRXIBPFTA-UHFFFAOYSA-N 0 0 387.455 3.896 20 10 GHCDRN CCCn1c2ccc(S(N)(=O)=O)cc2nc1-c1ccc(N(CC)CC)cc1 ZINC000916856824 890295699 /nfs/dbraw/zinc/29/56/99/890295699.db2.gz PYGWMDDPDLAIHE-UHFFFAOYSA-N 0 0 386.521 3.607 20 10 GHCDRN CON(C)C(=O)Cc1ccc(NCc2cc(Cl)c3cccnc3c2O)cc1 ZINC001168522006 890310995 /nfs/dbraw/zinc/31/09/95/890310995.db2.gz NGUHQOTUJAVXTO-UHFFFAOYSA-N 0 0 385.851 3.768 20 10 GHCDRN CC(=O)Nc1cc2c(cc1NCc1cc(Cl)c3cccnc3c1O)OCO2 ZINC001168522362 890360698 /nfs/dbraw/zinc/36/06/98/890360698.db2.gz PSRIMJJYDBIVHU-UHFFFAOYSA-N 0 0 385.807 3.893 20 10 GHCDRN C[C@@H]1CN(C(=O)c2ccccc2SCc2cccs2)C[C@H](C)S1(=O)=O ZINC000812373165 890586596 /nfs/dbraw/zinc/58/65/96/890586596.db2.gz RKGZPSFAGUFNFB-OKILXGFUSA-N 0 0 395.571 3.688 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc(-c2ccccc2F)n1C[C@@H]1CCCCO1 ZINC000812430395 890620935 /nfs/dbraw/zinc/62/09/35/890620935.db2.gz KXOCHAJKLOJBRQ-KRWDZBQOSA-N 0 0 396.466 3.995 20 10 GHCDRN Cc1cc(-c2nnc(CN(Cc3ccccc3O)C[C@H]3CCCO3)o2)c(C)o1 ZINC000123513796 890668253 /nfs/dbraw/zinc/66/82/53/890668253.db2.gz KFNZYIXODYRCAY-QGZVFWFLSA-N 0 0 383.448 3.833 20 10 GHCDRN Cc1cc(C(=O)COC(=O)CCc2cncnc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000796164554 913480437 /nfs/dbraw/zinc/48/04/37/913480437.db2.gz DBIUOAMUGJJANG-UHFFFAOYSA-N 0 0 391.471 3.860 20 10 GHCDRN Cc1cc(C(=O)COCc2ncc[nH]2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000123725003 890967102 /nfs/dbraw/zinc/96/71/02/890967102.db2.gz TXNFMYOJMQQLNN-UHFFFAOYSA-N 0 0 375.375 3.818 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)n3)CC2)cc1F ZINC000124023191 891227910 /nfs/dbraw/zinc/22/79/10/891227910.db2.gz ZDIQIWULWQKJSF-UHFFFAOYSA-N 0 0 398.360 3.602 20 10 GHCDRN O=C([O-])[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)C[C@H]1c1ccc(F)cc1 ZINC000872323218 891237429 /nfs/dbraw/zinc/23/74/29/891237429.db2.gz FEBRTXQJNUBIEU-UONOGXRCSA-N 0 0 394.240 3.594 20 10 GHCDRN CC1(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCC(=O)CC1 ZINC000825601032 891248466 /nfs/dbraw/zinc/24/84/66/891248466.db2.gz XNPGADDDBALHKW-UHFFFAOYSA-N 0 0 380.435 3.522 20 10 GHCDRN Cc1cc(C(=O)CN2CCC(NC(=O)C(C)C)CC2)c(C)n1-c1ccccc1 ZINC000917109809 891271332 /nfs/dbraw/zinc/27/13/32/891271332.db2.gz HLFPNPPKRHGWQY-UHFFFAOYSA-N 0 0 381.520 3.513 20 10 GHCDRN Cc1cc(C(=O)COC(=O)CCc2cncnc2)c(C)n1-c1ccccc1C ZINC000796173905 913540398 /nfs/dbraw/zinc/54/03/98/913540398.db2.gz FVKZYURNAKATPR-UHFFFAOYSA-N 0 0 377.444 3.551 20 10 GHCDRN CCN(C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)[C@@H]1CCOC1 ZINC000813159227 891319820 /nfs/dbraw/zinc/31/98/20/891319820.db2.gz XXHRJLOWXRDPRZ-NVXWUHKLSA-N 0 0 379.932 3.897 20 10 GHCDRN CSc1cccc(-n2c(C)cc(C(=O)CN3CCC[C@@H](NC(C)=O)C3)c2C)c1 ZINC000917136568 891422229 /nfs/dbraw/zinc/42/22/29/891422229.db2.gz PZRRGESFEXWTMO-GOSISDBHSA-N 0 0 399.560 3.599 20 10 GHCDRN Cc1ccc([C@H](C)NC(=O)NCCCSc2nccs2)cc1[N+](=O)[O-] ZINC000154315119 891595910 /nfs/dbraw/zinc/59/59/10/891595910.db2.gz YCOMARNBDRMMSH-LBPRGKRZSA-N 0 0 380.495 3.902 20 10 GHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCCCC(=O)C1 ZINC000813464780 891660423 /nfs/dbraw/zinc/66/04/23/891660423.db2.gz GONXLTNNEIOJFJ-JKSUJKDBSA-N 0 0 394.462 3.913 20 10 GHCDRN CC1(C)CC(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC(C)(C)C1 ZINC001133847177 891820274 /nfs/dbraw/zinc/82/02/74/891820274.db2.gz GXZQHDZUQDHMRV-UHFFFAOYSA-N 0 0 399.579 3.857 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N3Cc4ccccc4O[C@@H](C)C3)CC2)cc1 ZINC000813622518 891824625 /nfs/dbraw/zinc/82/46/25/891824625.db2.gz QXJUUEWCIIGPFI-KRWDZBQOSA-N 0 0 395.503 3.657 20 10 GHCDRN NC(=O)N=Nc1ccc(C(=O)Nc2nnc(-c3c(F)cccc3F)s2)cc1 ZINC001170711110 891861548 /nfs/dbraw/zinc/86/15/48/891861548.db2.gz AUDYMQQFKHTZPH-UHFFFAOYSA-N 0 0 388.359 3.898 20 10 GHCDRN CC(=O)Oc1ccc(Nc2c(CC(N)=O)cccc2C(=O)c2ccccc2)cc1 ZINC001212079445 891940592 /nfs/dbraw/zinc/94/05/92/891940592.db2.gz FCICJLITHGRTNA-UHFFFAOYSA-N 0 0 388.423 3.614 20 10 GHCDRN C[C@H](NC(=O)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1)c1ccccc1O ZINC000874191509 892027913 /nfs/dbraw/zinc/02/79/13/892027913.db2.gz IZNDMLURINIANK-NSHDSACASA-N 0 0 392.402 3.664 20 10 GHCDRN C[C@H](NC(=O)C(=O)Nc1ccc2nc(C3CC3)sc2c1)c1ccccc1O ZINC000874192554 892028930 /nfs/dbraw/zinc/02/89/30/892028930.db2.gz NFINJNRNPNJFPO-NSHDSACASA-N 0 0 381.457 3.695 20 10 GHCDRN CCn1ncc(C(=O)NCc2ccc(N3CCCCC3)cc2)c1Br ZINC000874241016 892049126 /nfs/dbraw/zinc/04/91/26/892049126.db2.gz HMESNZPHTGKTIR-UHFFFAOYSA-N 0 0 391.313 3.586 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H]1CSc2ccccc2O1 ZINC000825720847 892070503 /nfs/dbraw/zinc/07/05/03/892070503.db2.gz GNZINCKVVRKIHX-SFHVURJKSA-N 0 0 383.517 3.639 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@H](C(F)(F)F)O[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000874569415 892227227 /nfs/dbraw/zinc/22/72/27/892227227.db2.gz FGVKVHJYYYMXEW-XJKSGUPXSA-N 0 0 381.398 3.671 20 10 GHCDRN C[C@H](NC(=O)c1ccccc1OCC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000125117937 892296217 /nfs/dbraw/zinc/29/62/17/892296217.db2.gz FXLJBHGGFDUHAK-KRWDZBQOSA-N 0 0 380.488 3.803 20 10 GHCDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000917658148 892357564 /nfs/dbraw/zinc/35/75/64/892357564.db2.gz QXJOOGNHFXFUEU-UHFFFAOYSA-N 0 0 391.493 3.569 20 10 GHCDRN COc1ccccc1-c1ncc(/C=C2/SC(=S)N(C3CCC3)C2=O)cn1 ZINC000814185551 892381337 /nfs/dbraw/zinc/38/13/37/892381337.db2.gz JRJJXYQVFDVMRN-CXUHLZMHSA-N 0 0 383.498 3.906 20 10 GHCDRN COc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)ccc1C ZINC000917708486 892439166 /nfs/dbraw/zinc/43/91/66/892439166.db2.gz CFQHCNSCTMDGQW-HZPDHXFCSA-N 0 0 386.467 3.686 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3ccc4c(c3)CCC4)cc2F)C[C@@H](C)O1 ZINC000917709928 892440804 /nfs/dbraw/zinc/44/08/04/892440804.db2.gz KHSURSVUHUPLEC-HZPDHXFCSA-N 0 0 382.479 3.858 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3ccnc4ccccc43)cc2F)C[C@@H](C)O1 ZINC000917713991 892446725 /nfs/dbraw/zinc/44/67/25/892446725.db2.gz LTYJPNKAFWIQDE-HZPDHXFCSA-N 0 0 393.462 3.918 20 10 GHCDRN CCS(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000125304498 892463539 /nfs/dbraw/zinc/46/35/39/892463539.db2.gz NFNMZWLNIQPGKM-UHFFFAOYSA-N 0 0 399.468 3.621 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)N(Cc2ccco2)c2ccccn2)C1 ZINC000875168043 892475643 /nfs/dbraw/zinc/47/56/43/892475643.db2.gz RHWPBDYTUCTYII-INIZCTEOSA-N 0 0 383.448 3.821 20 10 GHCDRN Cc1cc(CC(=O)NCc2nccn2CC(F)(F)F)c(C)n1-c1ccccc1 ZINC000825773475 892506048 /nfs/dbraw/zinc/50/60/48/892506048.db2.gz HYVDWAISWWTZRK-UHFFFAOYSA-N 0 0 390.409 3.712 20 10 GHCDRN C[C@@H](OCc1ccc(F)cc1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000825777293 892519099 /nfs/dbraw/zinc/51/90/99/892519099.db2.gz SYGODCLQBAWLNO-OXQOHEQNSA-N 0 0 387.451 3.644 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3c(Cl)cncc3Cl)CC2)cc1 ZINC000814337094 892550724 /nfs/dbraw/zinc/55/07/24/892550724.db2.gz WNUMJVAJNGFYCM-UHFFFAOYSA-N 0 0 380.275 3.750 20 10 GHCDRN CC[C@H]1Oc2cc([C@@H](C)NC(=O)N[C@H](C)c3ccccc3O)ccc2NC1=O ZINC000875331958 892552570 /nfs/dbraw/zinc/55/25/70/892552570.db2.gz NLUNTSQFFRNLGX-SNUQEOBHSA-N 0 0 383.448 3.623 20 10 GHCDRN CC(C)(C)c1ccc(CNC(=O)NCCCSc2nccs2)c(=O)[nH]1 ZINC000875374971 892576508 /nfs/dbraw/zinc/57/65/08/892576508.db2.gz UKLUTNGHHSYOIL-UHFFFAOYSA-N 0 0 380.539 3.523 20 10 GHCDRN O=[N+]([O-])c1cccc2c(NCc3ccc(N4CCC(CO)CC4)cc3)ccnc21 ZINC000814360881 892597625 /nfs/dbraw/zinc/59/76/25/892597625.db2.gz KDCVYQXNTODGEM-UHFFFAOYSA-N 0 0 392.459 3.964 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1c(C(F)(F)F)cnn1C ZINC000875788632 892810647 /nfs/dbraw/zinc/81/06/47/892810647.db2.gz DDARAJWDPFCWEH-UHFFFAOYSA-N 0 0 384.402 3.656 20 10 GHCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000875930256 892874533 /nfs/dbraw/zinc/87/45/33/892874533.db2.gz LMHLBNPAZKFJQA-UHFFFAOYSA-N 0 0 376.522 3.671 20 10 GHCDRN Cc1cc(C(=O)N2CCO[C@@H](C)C2)c(C)n1-c1cccc(Br)c1 ZINC000917983088 892943539 /nfs/dbraw/zinc/94/35/39/892943539.db2.gz FVQVAUQLATZKSF-ZDUSSCGKSA-N 0 0 377.282 3.718 20 10 GHCDRN O=C(NCCCSc1nccs1)c1c[nH]nc1-c1c(F)cccc1F ZINC000125750635 892946572 /nfs/dbraw/zinc/94/65/72/892946572.db2.gz WVQKIAVLSXDMLB-UHFFFAOYSA-N 0 0 380.445 3.724 20 10 GHCDRN CC[C@H](NC(=O)NCCCSc1nccs1)c1nc2ccccc2[nH]1 ZINC000154610832 892989733 /nfs/dbraw/zinc/98/97/33/892989733.db2.gz UDVVPOWRCPNAHG-LBPRGKRZSA-N 0 0 375.523 3.952 20 10 GHCDRN Cc1cc(C(=O)NC[C@@H]2CCCN(C(N)=O)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000288292611 913720398 /nfs/dbraw/zinc/72/03/98/913720398.db2.gz SSZANLCPMNXFTJ-SFHVURJKSA-N 0 0 396.535 3.738 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000125837569 893031218 /nfs/dbraw/zinc/03/12/18/893031218.db2.gz IMKJNOIQLMKBQB-UHFFFAOYSA-N 0 0 394.393 3.874 20 10 GHCDRN CCOc1cc(NC(=O)NCCCN(C)c2ccccc2F)ccc1OC ZINC000918038351 893036634 /nfs/dbraw/zinc/03/66/34/893036634.db2.gz ZJNQRUZEOIXGIM-UHFFFAOYSA-N 0 0 375.444 3.881 20 10 GHCDRN C[C@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)N1CCc2ccccc21 ZINC000918070981 893059121 /nfs/dbraw/zinc/05/91/21/893059121.db2.gz HROZIXGSQCQMSS-GOSISDBHSA-N 0 0 392.547 3.878 20 10 GHCDRN C[C@@H]1C[C@@H]1c1ccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000918078755 893086856 /nfs/dbraw/zinc/08/68/56/893086856.db2.gz WYLJNNONCLVSNJ-MNEFBYGVSA-N 0 0 384.476 3.999 20 10 GHCDRN O=C1N=C(SCC2(CO)COC2)S/C1=C\c1csc2ccccc12 ZINC000814772075 893158172 /nfs/dbraw/zinc/15/81/72/893158172.db2.gz MYXYDVPBFFVSQY-RZNTYIFUSA-N 0 0 377.512 3.614 20 10 GHCDRN COc1c(O)c(CN2CCC[C@H]2c2nc3ccccc3n2C)ccc1[N+](=O)[O-] ZINC000774845577 913740921 /nfs/dbraw/zinc/74/09/21/913740921.db2.gz IXXAVGHIPXRUJW-KRWDZBQOSA-N 0 0 382.420 3.533 20 10 GHCDRN FC(F)(F)c1cc(N2CCOCC2)ccc1CNc1ccnc2cccnc21 ZINC000814825291 893207797 /nfs/dbraw/zinc/20/77/97/893207797.db2.gz DGOZFHKOFGQQAW-UHFFFAOYSA-N 0 0 388.393 3.519 20 10 GHCDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000125992696 893211733 /nfs/dbraw/zinc/21/17/33/893211733.db2.gz SJHCFKJLHJXYIV-UHFFFAOYSA-N 0 0 377.441 3.842 20 10 GHCDRN COc1ccc(N(Cc2cn(C[C@H]3CCOC3)nn2)Cc2ccccc2)cc1 ZINC000876513552 893214539 /nfs/dbraw/zinc/21/45/39/893214539.db2.gz NLIDFSIYFVJBDQ-LJQANCHMSA-N 0 0 378.476 3.530 20 10 GHCDRN C[N@H+](Cc1ccc(Br)o1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876572323 893234230 /nfs/dbraw/zinc/23/42/30/893234230.db2.gz KIGKIVCRZFTERS-UHFFFAOYSA-N 0 0 379.298 3.635 20 10 GHCDRN CCOc1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)nc1C ZINC000825893352 893295769 /nfs/dbraw/zinc/29/57/69/893295769.db2.gz WWZBRSGBJDQCOL-HNNXBMFYSA-N 0 0 384.480 3.508 20 10 GHCDRN O=C1CCCCN1Cc1cccc(NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000876853826 893362409 /nfs/dbraw/zinc/36/24/09/893362409.db2.gz NSCILAQAFDQWKD-UHFFFAOYSA-N 0 0 393.531 3.772 20 10 GHCDRN Cc1c(NCc2ccc(N3CCC(O)CC3)cc2)cccc1N1CCOC1=O ZINC000876868594 893368232 /nfs/dbraw/zinc/36/82/32/893368232.db2.gz HDCPKMYXXHNKBE-UHFFFAOYSA-N 0 0 381.476 3.525 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCN(Cc3ccsc3)CC2)cc1 ZINC000918229959 893372120 /nfs/dbraw/zinc/37/21/20/893372120.db2.gz YLRZNFKUUGIAHV-UHFFFAOYSA-N 0 0 386.565 3.622 20 10 GHCDRN CC(C)c1noc(CCNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)n1 ZINC001185263423 913765318 /nfs/dbraw/zinc/76/53/18/913765318.db2.gz OEVBGEABOLANKK-UHFFFAOYSA-N 0 0 380.404 3.987 20 10 GHCDRN CC(=O)c1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cs1 ZINC000815062274 893403785 /nfs/dbraw/zinc/40/37/85/893403785.db2.gz HPQQWORETFDUJG-STQMWFEESA-N 0 0 390.480 3.633 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N[C@@H](Cc3ccccc3)C3CC3)CC2)cc1 ZINC000126262176 893409917 /nfs/dbraw/zinc/40/99/17/893409917.db2.gz SHURKNVARHEASZ-QHCPKHFHSA-N 0 0 393.531 3.985 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cnc3ccccc3c2)cc1 ZINC000918309180 893468458 /nfs/dbraw/zinc/46/84/58/893468458.db2.gz GWACZMWRXYRCCR-UHFFFAOYSA-N 0 0 390.487 3.678 20 10 GHCDRN CCCOc1cccc(NC(=O)C(=O)N(C)Cc2ccc(N(CC)CC)cc2)c1 ZINC000918310008 893468605 /nfs/dbraw/zinc/46/86/05/893468605.db2.gz LJMUNUJRCUSMET-UHFFFAOYSA-N 0 0 397.519 3.919 20 10 GHCDRN Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000877076951 893470791 /nfs/dbraw/zinc/47/07/91/893470791.db2.gz XXGLBSFGAQVTQE-RXVVDRJESA-N 0 0 376.460 3.504 20 10 GHCDRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC000877078182 893470851 /nfs/dbraw/zinc/47/08/51/893470851.db2.gz HJEOZRLUQVKMLY-CQSZACIVSA-N 0 0 392.546 3.596 20 10 GHCDRN C[C@H]1CCc2c(sc3[nH]c(CCC(=O)N(C)c4ccc(N)cc4)nc(=O)c23)C1 ZINC000877081129 893474309 /nfs/dbraw/zinc/47/43/09/893474309.db2.gz VEWRAADRCZHFDH-LBPRGKRZSA-N 0 0 396.516 3.700 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)Cn3ccc4ccccc43)cc2F)C[C@H](C)O1 ZINC000918324768 893492447 /nfs/dbraw/zinc/49/24/47/893492447.db2.gz WWBLYMQNYQZAMU-CALCHBBNSA-N 0 0 395.478 3.710 20 10 GHCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ocnc1C1CC1 ZINC000288461974 913775217 /nfs/dbraw/zinc/77/52/17/913775217.db2.gz DVUJHNLOUMCFDF-ZDUSSCGKSA-N 0 0 377.391 3.552 20 10 GHCDRN C[C@@H](NC(=O)N[C@@H](C)c1cccc(F)c1F)c1ccc(N2CCOCC2)cc1 ZINC000126402766 893534108 /nfs/dbraw/zinc/53/41/08/893534108.db2.gz OJIRYPTXMKDNOW-CABCVRRESA-N 0 0 389.446 3.923 20 10 GHCDRN CCOc1ccc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1OCC ZINC000918369003 893556676 /nfs/dbraw/zinc/55/66/76/893556676.db2.gz DVHUDXUKTUTSAZ-UHFFFAOYSA-N 0 0 398.503 3.845 20 10 GHCDRN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1nc(C2CCCCC2)no1 ZINC000877470629 893627687 /nfs/dbraw/zinc/62/76/87/893627687.db2.gz LDYQGOULZNADPA-MRXNPFEDSA-N 0 0 384.524 3.929 20 10 GHCDRN Cc1ccc(NCc2ccc(N3CCC(O)CC3)cc2)cc1NC(=O)N(C)C ZINC000877493625 893644144 /nfs/dbraw/zinc/64/41/44/893644144.db2.gz MWYVRYXRYDFVJC-UHFFFAOYSA-N 0 0 382.508 3.662 20 10 GHCDRN Cn1ncc(Br)c1/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000778245502 893646458 /nfs/dbraw/zinc/64/64/58/893646458.db2.gz HIFXYBPWADEJEP-KPKJPENVSA-N 0 0 380.292 3.588 20 10 GHCDRN [O-]c1c(C[NH2+][C@@H](CCO)c2cccc(OC(F)(F)F)c2)ccc(F)c1F ZINC000877604452 893710141 /nfs/dbraw/zinc/71/01/41/893710141.db2.gz BMQZWXRCSFAAIA-AWEZNQCLSA-N 0 0 377.309 3.782 20 10 GHCDRN COc1cc(Br)cc([C@H]2NC(C)(C)C(=O)N2CC2CCCC2)c1O ZINC000877857260 893859412 /nfs/dbraw/zinc/85/94/12/893859412.db2.gz NGUZIQQLTIJROF-INIZCTEOSA-N 0 0 397.313 3.563 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2ccc(Cl)nn2)c(C)n1-c1cccc(C)c1 ZINC000815435270 893862431 /nfs/dbraw/zinc/86/24/31/893862431.db2.gz LWMPJFLKOPKERN-UHFFFAOYSA-N 0 0 383.835 3.886 20 10 GHCDRN COCC(=O)Nc1cccc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])c1 ZINC000815555710 893994991 /nfs/dbraw/zinc/99/49/91/893994991.db2.gz GGVAMAOYSTUUKE-GFCCVEGCSA-N 0 0 382.382 3.847 20 10 GHCDRN O=C(NCCCSc1nccs1)C1(Cc2cccc(F)c2)CCOCC1 ZINC000815590813 894030758 /nfs/dbraw/zinc/03/07/58/894030758.db2.gz JYYGLMXCCHRDFR-UHFFFAOYSA-N 0 0 394.537 3.920 20 10 GHCDRN COc1cccc(CNC(=O)c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)c1O ZINC000934940638 894056300 /nfs/dbraw/zinc/05/63/00/894056300.db2.gz SHSZKXGPJGGWIH-UHFFFAOYSA-N 0 0 398.459 3.628 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1(Cc2cccc(F)c2)CCOCC1 ZINC000815629482 894059932 /nfs/dbraw/zinc/05/99/32/894059932.db2.gz FBFJIBFEXOEVKY-UHFFFAOYSA-N 0 0 384.495 3.856 20 10 GHCDRN C[C@H]1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)[C@H](C(N)=O)C1 ZINC000778290014 894090414 /nfs/dbraw/zinc/09/04/14/894090414.db2.gz NPYLEDXDIMIGMA-KXBFYZLASA-N 0 0 379.464 3.626 20 10 GHCDRN O=C(c1cnc([C@H]2CCCO2)s1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000126977436 894106075 /nfs/dbraw/zinc/10/60/75/894106075.db2.gz WBQDZNQEDNKOPB-DOTOQJQBSA-N 0 0 388.489 3.522 20 10 GHCDRN CN(C/C=C/C(=O)N(Cc1ccco1)Cc1ccccc1O)CC(F)(F)F ZINC000815796734 894214595 /nfs/dbraw/zinc/21/45/95/894214595.db2.gz JLIYOSRAQUIYEK-RUDMXATFSA-N 0 0 382.382 3.564 20 10 GHCDRN COC(=O)c1ccc(C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)n1C ZINC000815951506 894354421 /nfs/dbraw/zinc/35/44/21/894354421.db2.gz HAUOEHDVVWZRPB-INIZCTEOSA-N 0 0 392.455 3.921 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3cccc4[nH]ccc43)CC2)c(OC)c1 ZINC000878534080 894366152 /nfs/dbraw/zinc/36/61/52/894366152.db2.gz WKZJSORWAJQUSK-UHFFFAOYSA-N 0 0 380.448 3.539 20 10 GHCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1c[nH]cc1C1CC1 ZINC000879003139 894774516 /nfs/dbraw/zinc/77/45/16/894774516.db2.gz CKXPSTUNZCZGCL-AWEZNQCLSA-N 0 0 375.419 3.892 20 10 GHCDRN COc1c([O-])c(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774880118 913904268 /nfs/dbraw/zinc/90/42/68/913904268.db2.gz GSXMYOVAQVMXMT-APWZRJJASA-N 0 0 399.491 3.794 20 10 GHCDRN C[C@@H](C(=O)Nc1ccc(NCc2ccc3ccccc3c2O)cc1)n1cncn1 ZINC000816525503 894923883 /nfs/dbraw/zinc/92/38/83/894923883.db2.gz WASDMTWUYVVLCL-HNNXBMFYSA-N 0 0 387.443 3.949 20 10 GHCDRN O=c1n(Cc2cccc(NCc3cc(Cl)c(F)cc3O)c2)nc2ccccn12 ZINC000816525523 894925580 /nfs/dbraw/zinc/92/55/80/894925580.db2.gz WXKRIMCKGPRAFO-UHFFFAOYSA-N 0 0 398.825 3.655 20 10 GHCDRN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NCc1cc(Cl)c(F)cc1O ZINC000816598949 894961963 /nfs/dbraw/zinc/96/19/63/894961963.db2.gz WYLMPCUKJDBFFA-SFHVURJKSA-N 0 0 378.831 3.715 20 10 GHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000816598704 894962033 /nfs/dbraw/zinc/96/20/33/894962033.db2.gz MUYVTKYJGYZPBC-UHFFFAOYSA-N 0 0 385.266 3.965 20 10 GHCDRN O=C(Cc1ccccc1)N1CCC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816601127 894963710 /nfs/dbraw/zinc/96/37/10/894963710.db2.gz SGORDLCZEFKGBB-INIZCTEOSA-N 0 0 376.859 3.508 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)c1 ZINC000816637654 894983690 /nfs/dbraw/zinc/98/36/90/894983690.db2.gz LBJPQGLYXYNCQG-KRWDZBQOSA-N 0 0 379.298 3.708 20 10 GHCDRN C[C@H](NC(=O)CC(C)(C)C)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000778434025 895103658 /nfs/dbraw/zinc/10/36/58/895103658.db2.gz OWYBQTIVQZCGTC-KRWDZBQOSA-N 0 0 399.535 3.815 20 10 GHCDRN C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1cccc(O)c1O ZINC000816817753 895108480 /nfs/dbraw/zinc/10/84/80/895108480.db2.gz JQMDLLJVLPJIKC-BDJLRTHQSA-N 0 0 381.350 3.719 20 10 GHCDRN O=S(=O)(c1ccc(NCc2c(O)cccc2Cl)cc1)N1CCCCC1 ZINC000584655542 895309322 /nfs/dbraw/zinc/30/93/22/895309322.db2.gz GPJMJNHJZHBJJE-UHFFFAOYSA-N 0 0 380.897 3.832 20 10 GHCDRN COc1ccc(-c2nnc(NCc3ccc(N4CCOCC4)cc3)s2)cc1 ZINC000817116782 895341560 /nfs/dbraw/zinc/34/15/60/895341560.db2.gz AJCQIHCABKMGND-UHFFFAOYSA-N 0 0 382.489 3.662 20 10 GHCDRN CN1CCCc2cc(CNC(=O)Nc3cccc(N=S(C)(C)=O)c3)ccc21 ZINC000879871070 895375150 /nfs/dbraw/zinc/37/51/50/895375150.db2.gz USWHAGARDMWQJT-UHFFFAOYSA-N 0 0 386.521 3.750 20 10 GHCDRN COc1ccc(C=O)c(OCC(=O)NCc2cc(C)n(-c3ccccc3)c2C)c1 ZINC001170856948 895416735 /nfs/dbraw/zinc/41/67/35/895416735.db2.gz DFORALGMVNKFHP-UHFFFAOYSA-N 0 0 392.455 3.610 20 10 GHCDRN CCCS(=O)(=O)Nc1cccc(NCc2cc(Cl)cc(OC)c2O)c1 ZINC000817406504 895586276 /nfs/dbraw/zinc/58/62/76/895586276.db2.gz UGBYIZSAYAULDU-UHFFFAOYSA-N 0 0 384.885 3.818 20 10 GHCDRN CC(C)(C(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(F)cc1F ZINC000880749977 895852518 /nfs/dbraw/zinc/85/25/18/895852518.db2.gz DQIWIHMEIMXLBI-UHFFFAOYSA-N 0 0 388.458 3.520 20 10 GHCDRN COc1c([O-])c(C[N@H+](C[C@@H]2CCCO2)C2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000774910409 914008750 /nfs/dbraw/zinc/00/87/50/914008750.db2.gz WZQFIMZHHLSWMT-PREGVCBESA-N 0 0 378.469 3.869 20 10 GHCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@@H]3CCCN(C(=O)c4ccncc4)C3)cc12 ZINC000817760483 895891346 /nfs/dbraw/zinc/89/13/46/895891346.db2.gz CGPDRKMMMRRVEM-GOSISDBHSA-N 0 0 391.471 3.648 20 10 GHCDRN C[C@H]1CC(=O)Nc2ccc(C(=O)N(C)Cc3ccc(N4CCCC4)cc3)cc2N1 ZINC001136025201 895925360 /nfs/dbraw/zinc/92/53/60/895925360.db2.gz ADEDUGDEEDURIJ-INIZCTEOSA-N 0 0 392.503 3.702 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1cc(C)cc(S(C)(=O)=O)c1 ZINC000880844604 895928443 /nfs/dbraw/zinc/92/84/43/895928443.db2.gz MJSQPPXBQYHEKV-UHFFFAOYSA-N 0 0 390.505 3.938 20 10 GHCDRN COc1ccc([C@@H]2CCN(C(=O)c3csc(Cc4ccc(N)cc4)n3)C2)cc1 ZINC000817931103 895980797 /nfs/dbraw/zinc/98/07/97/895980797.db2.gz IVMLSPYOBZHLGW-QGZVFWFLSA-N 0 0 393.512 3.954 20 10 GHCDRN Cn1nc(C2CCCC2)cc1NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817996945 895981051 /nfs/dbraw/zinc/98/10/51/895981051.db2.gz GTAWRMIZXZRTJV-UHFFFAOYSA-N 0 0 381.505 3.960 20 10 GHCDRN COc1ccc(C[C@@H](C)CNC(=O)c2csc(Cc3ccc(N)cc3)n2)cc1 ZINC000817998587 895982763 /nfs/dbraw/zinc/98/27/63/895982763.db2.gz IUCXRWIUKGOCCX-OAHLLOKOSA-N 0 0 395.528 3.933 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3cnccc3C(F)(F)F)C2)cc1 ZINC000880962405 896028591 /nfs/dbraw/zinc/02/85/91/896028591.db2.gz GPXDBKPJOYOVBL-LBPRGKRZSA-N 0 0 380.370 3.509 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2ccc(C)nc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000818133761 896065814 /nfs/dbraw/zinc/06/58/14/896065814.db2.gz WJKRBIIZBMHVOC-UHFFFAOYSA-N 0 0 392.411 3.566 20 10 GHCDRN CCC(=O)N(C)c1ccc(NC(=O)N(C)CCN(C)c2ccc(OC)cc2)cc1 ZINC000881043140 896088133 /nfs/dbraw/zinc/08/81/33/896088133.db2.gz YGPSJBQBSXEERF-UHFFFAOYSA-N 0 0 398.507 3.668 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1ccc(C(C)C)cc1 ZINC000774916370 914033855 /nfs/dbraw/zinc/03/38/55/914033855.db2.gz QPNQGKFGFWCJKD-UHFFFAOYSA-N 0 0 382.504 3.613 20 10 GHCDRN C[C@H](NC(=O)Nc1cccc([C@]2(C)COC(=O)N2)c1)c1ccc(N(C)C)cc1 ZINC000881105013 896143570 /nfs/dbraw/zinc/14/35/70/896143570.db2.gz DINKIPPLIVPIJP-QKKBWIMNSA-N 0 0 382.464 3.590 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc([C@@H]2CCCS2)n1C[C@H]1CCCCO1 ZINC000818464219 896183939 /nfs/dbraw/zinc/18/39/39/896183939.db2.gz MJSUPNUTZUHNSR-AEFFLSMTSA-N 0 0 388.537 3.757 20 10 GHCDRN Cc1cc(C(=O)Cn2cc([C@@H]3CCCCO3)nn2)c(C)n1-c1ccc(Cl)cn1 ZINC000881351397 896303647 /nfs/dbraw/zinc/30/36/47/896303647.db2.gz RRDVIYPCLQHYGV-IBGZPJMESA-N 0 0 399.882 3.859 20 10 GHCDRN Cc1ccc(N2C(=O)CN(Cc3ccccc3O)C2=O)cc1NC(=O)C(C)(C)C ZINC000819008724 896324069 /nfs/dbraw/zinc/32/40/69/896324069.db2.gz ZRUAHTYKQCGCGV-UHFFFAOYSA-N 0 0 395.459 3.654 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000129027120 896342906 /nfs/dbraw/zinc/34/29/06/896342906.db2.gz SXPULPHANOGKHN-UHFFFAOYSA-N 0 0 391.353 3.656 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCCOc2cccc(F)c2)cc1 ZINC001136191477 896430719 /nfs/dbraw/zinc/43/07/19/896430719.db2.gz ODJHQYWTPCJEHC-UHFFFAOYSA-N 0 0 394.446 3.783 20 10 GHCDRN Cc1oc(Br)cc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000819165949 896437976 /nfs/dbraw/zinc/43/79/76/896437976.db2.gz IHZOZDCPBQIPLT-LBPRGKRZSA-N 0 0 393.281 3.678 20 10 GHCDRN CCCOc1ccc([C@@H](C)N2C(=O)CN(Cc3ccccc3O)C2=O)cc1OC ZINC000819165588 896439810 /nfs/dbraw/zinc/43/98/10/896439810.db2.gz XRTNUTRPQISAQZ-OAHLLOKOSA-N 0 0 398.459 3.715 20 10 GHCDRN C[C@@H](Cc1ccccc1C(F)(F)F)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819169645 896442925 /nfs/dbraw/zinc/44/29/25/896442925.db2.gz ARENZUABJNNXDE-ZDUSSCGKSA-N 0 0 392.377 3.806 20 10 GHCDRN CC1(C)[C@H](OCc2ccccc2)C[C@@H]1N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819170914 896444319 /nfs/dbraw/zinc/44/43/19/896444319.db2.gz PUJDEFXPGOISJY-VQTJNVASSA-N 0 0 394.471 3.540 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@H](O)CC2)c(C)n1-c1ccccc1Br ZINC000819312800 896605106 /nfs/dbraw/zinc/60/51/06/896605106.db2.gz NLDGVIPVFDRKSD-HNNXBMFYSA-N 0 0 391.309 3.844 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)/C=C\c1cccc(O)c1 ZINC000819519495 896806142 /nfs/dbraw/zinc/80/61/42/896806142.db2.gz WTIODZCYNGMJDL-TWGQIWQCSA-N 0 0 396.487 3.794 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCCOC(C)C ZINC000819518866 896807383 /nfs/dbraw/zinc/80/73/83/896807383.db2.gz IQURJUZMOQLHBF-UHFFFAOYSA-N 0 0 378.513 3.580 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)cc1 ZINC000819579404 896821208 /nfs/dbraw/zinc/82/12/08/896821208.db2.gz AOLJYZBFJYBDTR-ZDUSSCGKSA-N 0 0 389.839 3.513 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)CCCOc3ccc(C)cc3)C2)cc1 ZINC000819580557 896821444 /nfs/dbraw/zinc/82/14/44/896821444.db2.gz LFMWKONHMIICTN-IBGZPJMESA-N 0 0 382.504 3.805 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)CCc3ccc4ccccc4n3)C2)cc1 ZINC000819580408 896822737 /nfs/dbraw/zinc/82/27/37/896822737.db2.gz JCZLRGWMHBJEBT-SFHVURJKSA-N 0 0 389.499 3.819 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3ccc(Br)s3)C2)cc1 ZINC000819581016 896823528 /nfs/dbraw/zinc/82/35/28/896823528.db2.gz SEJVYBGNUUPKFG-GFCCVEGCSA-N 0 0 395.322 3.776 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3ccccc3OCC3CC3)C2)cc1 ZINC000819581913 896827710 /nfs/dbraw/zinc/82/77/10/896827710.db2.gz FXJIWHIKCQNOKX-SFHVURJKSA-N 0 0 380.488 3.740 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)C[C@H](C)Cc3ccccc3OC)C2)cc1 ZINC000819583422 896827889 /nfs/dbraw/zinc/82/78/89/896827889.db2.gz WJOMSNSGPPYOKG-RTBURBONSA-N 0 0 396.531 3.915 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)C3(c4ccc(OC)cc4)CCC3)C2)cc1 ZINC000819582129 896827968 /nfs/dbraw/zinc/82/79/68/896827968.db2.gz IGESXQOJXSBKBW-SFHVURJKSA-N 0 0 394.515 3.768 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@H]3C[C@H]3c3cc(F)ccc3F)C2)cc1 ZINC000819584226 896830661 /nfs/dbraw/zinc/83/06/61/896830661.db2.gz DYRPPLVLOOUGFL-WNYOCNMUSA-N 0 0 386.442 3.720 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cccc(Cl)c3[N+](=O)[O-])C2)cc1 ZINC000819585520 896832687 /nfs/dbraw/zinc/83/26/87/896832687.db2.gz YDTKYTLFXCJBMH-ZDUSSCGKSA-N 0 0 389.839 3.513 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C)CCOc3ccccc3)C2)cc1 ZINC000819585480 896833037 /nfs/dbraw/zinc/83/30/37/896833037.db2.gz XWPKQDUPTJFKJM-OALUTQOASA-N 0 0 382.504 3.743 20 10 GHCDRN CC[C@@H](Oc1cccc(C)c1)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819585108 896833237 /nfs/dbraw/zinc/83/32/37/896833237.db2.gz WSCRJBBQTZNAJB-PGRDOPGGSA-N 0 0 382.504 3.804 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)C[C@@H](C)c3cccc(OC)c3)C2)cc1 ZINC000819585073 896833965 /nfs/dbraw/zinc/83/39/65/896833965.db2.gz WNMIQXXASITOFU-QZTJIDSGSA-N 0 0 382.504 3.840 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)C[C@H](C)c3cccc(OC)c3)C2)cc1 ZINC000819585078 896834463 /nfs/dbraw/zinc/83/44/63/896834463.db2.gz WNMIQXXASITOFU-ZWKOTPCHSA-N 0 0 382.504 3.840 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cc4sccc4c(O)c3)C2)cc1 ZINC000819588637 896838917 /nfs/dbraw/zinc/83/89/17/896838917.db2.gz NJKXKJZLHCYGHW-CQSZACIVSA-N 0 0 382.485 3.872 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cc(O)ccc3C(F)(F)F)C2)cc1 ZINC000819588819 896838971 /nfs/dbraw/zinc/83/89/71/896838971.db2.gz PBJNSZSMZOBFIM-ZDUSSCGKSA-N 0 0 394.393 3.676 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)Cc3ccc(Cl)c(F)c3)C2)cc1 ZINC000819588680 896839032 /nfs/dbraw/zinc/83/90/32/896839032.db2.gz NSQXORJTHNZKBR-HNNXBMFYSA-N 0 0 376.859 3.673 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3ccc(OC(C)(C)C)cn3)C2)cc1 ZINC000819589767 896840244 /nfs/dbraw/zinc/84/02/44/896840244.db2.gz HBWNAPILDVDGCR-INIZCTEOSA-N 0 0 383.492 3.524 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)Cc3cccc(Cl)c3F)C2)cc1 ZINC000819591305 896840406 /nfs/dbraw/zinc/84/04/06/896840406.db2.gz QUTJBQUEGWDZQD-AWEZNQCLSA-N 0 0 376.859 3.673 20 10 GHCDRN O=C(NCc1cccc(F)c1)Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001185826071 914105933 /nfs/dbraw/zinc/10/59/33/914105933.db2.gz IVYJRNWBMJCYTA-UHFFFAOYSA-N 0 0 390.370 3.628 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@H](C)c1c[nH]c2ccccc21 ZINC000819698534 896911022 /nfs/dbraw/zinc/91/10/22/896911022.db2.gz NBLBLGDUKNATNY-INIZCTEOSA-N 0 0 394.471 3.959 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1cccc(Br)c1C ZINC000819756290 896989246 /nfs/dbraw/zinc/98/92/46/896989246.db2.gz RAKPZKQRBDJVFL-UHFFFAOYSA-N 0 0 383.282 3.808 20 10 GHCDRN O=C(Cc1cc(Cl)ccc1Cl)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000130282447 897050021 /nfs/dbraw/zinc/05/00/21/897050021.db2.gz WOLVUCGDWRXANB-UHFFFAOYSA-N 0 0 397.277 3.828 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNc3cc(C)nc(-c4cccnc4)n3)C2)cc1 ZINC000819935472 897070247 /nfs/dbraw/zinc/07/02/47/897070247.db2.gz MIIYEMDVJSIVND-KRWDZBQOSA-N 0 0 375.476 3.794 20 10 GHCDRN COC(=O)/C=C/c1ccc(N2CC3(CCC3)[C@@H]2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000819954710 897078496 /nfs/dbraw/zinc/07/84/96/897078496.db2.gz ANXHDZWOOUBJHH-XXIDSNJLSA-N 0 0 386.448 3.567 20 10 GHCDRN Cc1c(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)[nH]c2c1C(=O)CCC2 ZINC000820005989 897081475 /nfs/dbraw/zinc/08/14/75/897081475.db2.gz GBVPZSSQGOIPPH-UHFFFAOYSA-N 0 0 385.427 3.804 20 10 GHCDRN CCCc1noc(CCCC(=O)Nc2c(-c3ccccn3)nc3ccccn32)n1 ZINC000820006198 897081871 /nfs/dbraw/zinc/08/18/71/897081871.db2.gz NJFIBKACCVVCQI-UHFFFAOYSA-N 0 0 390.447 3.693 20 10 GHCDRN O=C(CCOc1ccccc1F)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000820006271 897082000 /nfs/dbraw/zinc/08/20/00/897082000.db2.gz QQURFSVJQJCXIV-UHFFFAOYSA-N 0 0 376.391 3.943 20 10 GHCDRN CC[C@@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])c1nnc2n1CCCCC2 ZINC000882959654 897148207 /nfs/dbraw/zinc/14/82/07/897148207.db2.gz MJQLQYRCPIJQFS-CQSZACIVSA-N 0 0 397.292 3.853 20 10 GHCDRN Cc1ccc2n[nH]cc2c1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC001136311142 897217259 /nfs/dbraw/zinc/21/72/59/897217259.db2.gz HDJGVMCIQXWIBU-HUUCEWRRSA-N 0 0 396.466 3.554 20 10 GHCDRN C[C@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])c1ccc([S@@](C)=O)cc1 ZINC000883076165 897256951 /nfs/dbraw/zinc/25/69/51/897256951.db2.gz WDKLORPJNNAGFP-MLMJSJRWSA-N 0 0 386.286 3.882 20 10 GHCDRN Cc1cc(C(=O)Nc2c(C)cccc2O)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826300377 897294509 /nfs/dbraw/zinc/29/45/09/897294509.db2.gz SHNHKJHGQMXWQS-UHFFFAOYSA-N 0 0 388.431 3.541 20 10 GHCDRN CS(C)(=O)=Nc1ccc(NC(=O)C2=S=C3C(=C2)CCc2ccccc23)cc1 ZINC000820358448 897308578 /nfs/dbraw/zinc/30/85/78/897308578.db2.gz HXLDCFUUDBRIPH-UHFFFAOYSA-N 0 0 396.537 3.997 20 10 GHCDRN CC(C)c1ccc(CCCNC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000805747921 897339240 /nfs/dbraw/zinc/33/92/40/897339240.db2.gz IKEVMTSMNKQSGO-UHFFFAOYSA-N 0 0 395.547 3.583 20 10 GHCDRN O=C(Nc1cccc(N2CCCCCC2)c1)c1ccc(-n2cnnn2)cc1Cl ZINC000131651617 897539188 /nfs/dbraw/zinc/53/91/88/897539188.db2.gz HFBUUAAQNGRTKD-UHFFFAOYSA-N 0 0 396.882 3.948 20 10 GHCDRN CC(C)(C)C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000778624604 897574267 /nfs/dbraw/zinc/57/42/67/897574267.db2.gz MCFIHJMHUDLBQI-INIZCTEOSA-N 0 0 387.446 3.690 20 10 GHCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1cc(C(C)=O)no1 ZINC000821069592 897702025 /nfs/dbraw/zinc/70/20/25/897702025.db2.gz PELPJZOUNYISDM-UHFFFAOYSA-N 0 0 385.445 3.824 20 10 GHCDRN COc1cc(CC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)ccn1 ZINC000821103896 897745754 /nfs/dbraw/zinc/74/57/54/897745754.db2.gz PTIUOZVHGXGFOW-UHFFFAOYSA-N 0 0 379.460 3.521 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)c1cscn1 ZINC000821102127 897745852 /nfs/dbraw/zinc/74/58/52/897745852.db2.gz CYFBYXAWNGDGPR-JTQLQIEISA-N 0 0 384.299 3.904 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Nc3ccc(C(F)(F)F)nc3)CC2)cc1 ZINC000132416273 897781969 /nfs/dbraw/zinc/78/19/69/897781969.db2.gz PHWIDFITHXMCIH-UHFFFAOYSA-N 0 0 394.397 3.853 20 10 GHCDRN CCS[C@@H]1CC[C@H](N(C)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000132818699 897923520 /nfs/dbraw/zinc/92/35/20/897923520.db2.gz HOYMAZOGRDZCST-AZUAARDMSA-N 0 0 391.581 3.980 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1c(Br)c(C)nn1C ZINC000821508202 897933862 /nfs/dbraw/zinc/93/38/62/897933862.db2.gz OXPUEIXOAUTZST-UHFFFAOYSA-N 0 0 381.274 3.641 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCc2ccccc2N(C)C)cc1 ZINC001136461391 897948696 /nfs/dbraw/zinc/94/86/96/897948696.db2.gz FXDUQGBWEUHPOO-UHFFFAOYSA-N 0 0 389.499 3.832 20 10 GHCDRN COc1ccc2c(c1)c(C(=O)NCc1cccc(OC)c1O)c(C)n2C1CC1 ZINC000111597715 898034654 /nfs/dbraw/zinc/03/46/54/898034654.db2.gz OYIVTSMVWLZLDD-UHFFFAOYSA-N 0 0 380.444 3.937 20 10 GHCDRN CCCCCn1nc(C)cc1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000821731464 898040361 /nfs/dbraw/zinc/04/03/61/898040361.db2.gz HCNPKZANPIFJAG-UHFFFAOYSA-N 0 0 399.539 3.665 20 10 GHCDRN COc1ccccc1[C@H](C)CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000103190490 898069104 /nfs/dbraw/zinc/06/91/04/898069104.db2.gz KCZVASUPEPSAST-GOSISDBHSA-N 0 0 396.531 3.714 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2c(c1)[nH]c(=O)n2C1CC1 ZINC000821844204 898092262 /nfs/dbraw/zinc/09/22/62/898092262.db2.gz ZGKMYIIHHBAJKD-UHFFFAOYSA-N 0 0 376.460 3.607 20 10 GHCDRN COc1cccc(CC2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC2)c1 ZINC000821849121 898094860 /nfs/dbraw/zinc/09/48/60/898094860.db2.gz WXFSBYZSULZFGJ-UHFFFAOYSA-N 0 0 380.448 3.953 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cc(Cl)c(N)c(Cl)c3)C2)cc1 ZINC000822369319 898321414 /nfs/dbraw/zinc/32/14/14/898321414.db2.gz DODJQVXUTJZJKC-LBPRGKRZSA-N 0 0 394.302 3.841 20 10 GHCDRN CN(C)c1nc(Cl)c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000822416019 898360938 /nfs/dbraw/zinc/36/09/38/898360938.db2.gz IMIJFWAOZGEBRH-UHFFFAOYSA-N 0 0 378.929 3.733 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3ccc(C(C)=O)c(Cl)c3)C2)cc1 ZINC000822493288 898374813 /nfs/dbraw/zinc/37/48/13/898374813.db2.gz SDWDIWHVGCMSRC-HNNXBMFYSA-N 0 0 387.867 3.952 20 10 GHCDRN COCCCOc1ccccc1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000108701220 898395578 /nfs/dbraw/zinc/39/55/78/898395578.db2.gz GUUJDCODEMZEPG-FMIVXFBMSA-N 0 0 396.487 3.590 20 10 GHCDRN C/C(=C/C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccco1 ZINC000822517585 898406177 /nfs/dbraw/zinc/40/61/77/898406177.db2.gz AIPWSILJERZHSX-KAMYIIQDSA-N 0 0 394.393 3.855 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3cc(C)n([C@@H](C)C4CC4)n3)C2)cc1 ZINC000822526024 898412569 /nfs/dbraw/zinc/41/25/69/898412569.db2.gz SWNFGMYHNJHFNL-RDJZCZTQSA-N 0 0 383.496 3.572 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3ccnn3[C@H](C)CC(C)C)C2)cc1 ZINC000822557998 898473676 /nfs/dbraw/zinc/47/36/76/898473676.db2.gz OEKYVBPBPRCBCO-SJORKVTESA-N 0 0 385.512 3.899 20 10 GHCDRN Cc1cc(NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)n(C)n1 ZINC000800000405 898481943 /nfs/dbraw/zinc/48/19/43/898481943.db2.gz DCEPRNQYPSPUSB-ZDUSSCGKSA-N 0 0 375.904 3.940 20 10 GHCDRN CCOc1ccc([C@H](C)NC(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000822575030 898488780 /nfs/dbraw/zinc/48/87/80/898488780.db2.gz JPDHWPZGIALWRC-ZWKOTPCHSA-N 0 0 397.519 3.981 20 10 GHCDRN C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)C2=CC(=O)CS2)c1 ZINC000822611647 898500250 /nfs/dbraw/zinc/50/02/50/898500250.db2.gz AQWHRIVNDRSWFC-GFCCVEGCSA-N 0 0 391.468 3.658 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)CCCC(=O)C(C)(C)C)cc2F)C[C@@H](C)O1 ZINC000822612639 898501383 /nfs/dbraw/zinc/50/13/83/898501383.db2.gz CPVXZNJSEKYFBY-HZPDHXFCSA-N 0 0 392.515 3.841 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)NCc3ccc([C@H]4C[C@@H]4C)o3)C2)cc1 ZINC000822646363 898530003 /nfs/dbraw/zinc/53/00/03/898530003.db2.gz FWAIQLUYJWRVMI-YRNRMSPPSA-N 0 0 383.492 3.737 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)CN3CCCCCC3=O)cc2Cl)C1 ZINC000800048013 898534889 /nfs/dbraw/zinc/53/48/89/898534889.db2.gz TYISXQBTOKHNMI-MRXNPFEDSA-N 0 0 391.943 3.595 20 10 GHCDRN CC(=O)NCCCCCC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000800048224 898535309 /nfs/dbraw/zinc/53/53/09/898535309.db2.gz WQANRZIQJIARCH-MRXNPFEDSA-N 0 0 393.959 3.889 20 10 GHCDRN CCOC(=O)C1(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CC1 ZINC000800050085 898537309 /nfs/dbraw/zinc/53/73/09/898537309.db2.gz MTVRMVSFJGIMEX-AWEZNQCLSA-N 0 0 378.900 3.536 20 10 GHCDRN 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Cc1cc(CC(=O)NCc2noc3c2COCC3)c(C)n1-c1ccc(Cl)cc1 ZINC000886977271 901368462 /nfs/dbraw/zinc/36/84/62/901368462.db2.gz HBJHEKXGESUMMJ-UHFFFAOYSA-N 0 0 399.878 3.667 20 10 GHCDRN C/C(=C/c1ccc(C)cc1)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000778905853 901417873 /nfs/dbraw/zinc/41/78/73/901417873.db2.gz LOODOXBMNFUZIO-JXAWBTAJSA-N 0 0 380.488 3.666 20 10 GHCDRN COc1c([O-])c(C[NH2+]Cc2ccnc(O[C@@H](C)CC(C)C)c2)ccc1[N+](=O)[O-] ZINC000775016014 914536089 /nfs/dbraw/zinc/53/60/89/914536089.db2.gz LQJVRMUPOZVOQM-AWEZNQCLSA-N 0 0 389.452 3.807 20 10 GHCDRN C[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CCc2ccc(F)cc21 ZINC000844912983 901519852 /nfs/dbraw/zinc/51/98/52/901519852.db2.gz NAKOSKJDVQWXFJ-KRWDZBQOSA-N 0 0 397.494 3.534 20 10 GHCDRN CC(C)(C)OC(=O)C[C@@H]1CC[N@H+](Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144307894 901699659 /nfs/dbraw/zinc/69/96/59/901699659.db2.gz LBSGSZGKWMFKIN-NSHDSACASA-N 0 0 388.277 3.848 20 10 GHCDRN Cc1ccc(N2C(=O)/C(=C\c3c4c(nn3C)CCSC4)SC2=S)cc1 ZINC000887275577 901717494 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20 10 GHCDRN CC(C)c1nnc(/C=C/C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)o1 ZINC000129390077 902801783 /nfs/dbraw/zinc/80/17/83/902801783.db2.gz QYVHXUIAUUFGSS-MDZDMXLPSA-N 0 0 396.413 3.863 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)[C@H]3CCCN(C(C)(C)C)C3=O)cc2)CC1 ZINC001144773838 902868241 /nfs/dbraw/zinc/86/82/41/902868241.db2.gz OUHCBEXQTZNAKY-HXUWFJFHSA-N 0 0 385.552 3.576 20 10 GHCDRN O=C(NC1CCC(C(=O)NCc2cc(Cl)ccc2O)CC1)C1CCCC1 ZINC000846472429 903001951 /nfs/dbraw/zinc/00/19/51/903001951.db2.gz KEFOHMVMDQNGNP-UHFFFAOYSA-N 0 0 378.900 3.527 20 10 GHCDRN COc1cc2[nH]c(CCCNC(=O)N(C)Cc3ccccc3O)cc2c(OC)c1 ZINC000130770543 903020423 /nfs/dbraw/zinc/02/04/23/903020423.db2.gz SHPJRECNHXYOBU-UHFFFAOYSA-N 0 0 397.475 3.665 20 10 GHCDRN O=C(Cc1csc(-c2ccoc2)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000131146123 903062029 /nfs/dbraw/zinc/06/20/29/903062029.db2.gz JFPPAUQNOAIBBU-SFHVURJKSA-N 0 0 398.484 3.859 20 10 GHCDRN C/C(=C\c1ccccn1)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000846824754 903215262 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COc1cc(Cl)c(S(=O)(=O)N(C)Cc2ccccc2O)cc1Cl ZINC000159648099 903787916 /nfs/dbraw/zinc/78/79/16/903787916.db2.gz BSVDKJVDKMRLCQ-UHFFFAOYSA-N 0 0 376.261 3.528 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@](C)(O)c2cccs2)c1 ZINC001147978413 903925067 /nfs/dbraw/zinc/92/50/67/903925067.db2.gz VFZWCVPNUCUKID-OAQYLSRUSA-N 0 0 382.485 3.606 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1 ZINC000150850891 904032129 /nfs/dbraw/zinc/03/21/29/904032129.db2.gz PXYPURYHBLTBTQ-UHFFFAOYSA-N 0 0 394.468 3.520 20 10 GHCDRN C[C@H](OC1CCCCCC1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000150859453 904034046 /nfs/dbraw/zinc/03/40/46/904034046.db2.gz PCCOMSVQFBNEAA-INIZCTEOSA-N 0 0 392.515 3.531 20 10 GHCDRN C[C@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779086561 904055140 /nfs/dbraw/zinc/05/51/40/904055140.db2.gz ALZOISWOSVJLNQ-WWGRRREGSA-N 0 0 379.457 3.597 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779086559 904055225 /nfs/dbraw/zinc/05/52/25/904055225.db2.gz ALZOISWOSVJLNQ-DVOMOZLQSA-N 0 0 379.457 3.597 20 10 GHCDRN CC(=O)Nc1cccc([C@@H](C)NC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000048787523 904142384 /nfs/dbraw/zinc/14/23/84/904142384.db2.gz GEUSOUBAAPBKQP-MRXNPFEDSA-N 0 0 380.492 3.806 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCC2(O)CCC(C)CC2)ccc1C ZINC001149035052 904284866 /nfs/dbraw/zinc/28/48/66/904284866.db2.gz OXXWSWDUVZYEET-UHFFFAOYSA-N 0 0 382.504 3.886 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1ccc(C(=O)NCC)cc1 ZINC000282804388 904329076 /nfs/dbraw/zinc/32/90/76/904329076.db2.gz OTDQAOUCCQBZQB-UHFFFAOYSA-N 0 0 383.492 3.654 20 10 GHCDRN C[C@H](NC(=O)[C@H](c1ccccc1)N1CCCCC1=O)c1ccc(N(C)C)cc1 ZINC000772998875 904345582 /nfs/dbraw/zinc/34/55/82/904345582.db2.gz KVKMODYSDRBYQW-JTSKRJEESA-N 0 0 379.504 3.684 20 10 GHCDRN C[C@H](NC(=O)COc1ccc(Br)cc1F)c1ccc(N(C)C)cc1 ZINC000773018560 904372638 /nfs/dbraw/zinc/37/26/38/904372638.db2.gz WGDFDRHVBAVPSA-LBPRGKRZSA-N 0 0 395.272 3.910 20 10 GHCDRN C[C@@H](NC(=O)c1cc(-c2ccc3c(c2)CCO3)no1)c1ccc(N(C)C)cc1 ZINC000773015423 904375941 /nfs/dbraw/zinc/37/59/41/904375941.db2.gz OFLVDXIOKKQRMT-CQSZACIVSA-N 0 0 377.444 3.834 20 10 GHCDRN C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1ccc(N(C)C)cc1 ZINC000773016958 904379137 /nfs/dbraw/zinc/37/91/37/904379137.db2.gz FFDSYNJONLMKGA-CRAIPNDOSA-N 0 0 399.922 3.632 20 10 GHCDRN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773021860 904382562 /nfs/dbraw/zinc/38/25/62/904382562.db2.gz UQWSVRDQHXNHDP-AOMKIAJQSA-N 0 0 377.488 3.894 20 10 GHCDRN C[C@@H](NC(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000773018032 904383359 /nfs/dbraw/zinc/38/33/59/904383359.db2.gz GJERMMPACFKURI-VFNWGFHPSA-N 0 0 375.513 3.577 20 10 GHCDRN CCNS(=O)(=O)c1cnc(NCc2cc3ccccc3cc2O)c(Cl)c1 ZINC001171402126 904505499 /nfs/dbraw/zinc/50/54/99/904505499.db2.gz FYDCFIJVEPFSSI-UHFFFAOYSA-N 0 0 391.880 3.504 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)N2CC[C@H](Oc3ncccc3C)C2)c1 ZINC001186850201 914822082 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COC(=O)c1cc2c(o1)c(OC)ccc2/C=C1/SC(=S)N(C2CC2)C1=O ZINC000749017193 1021738576 /nfs/dbraw/zinc/73/85/76/1021738576.db2.gz RDDSBLHXULSAPU-VGOFMYFVSA-N 0 0 389.454 3.592 20 10 GHCDRN COc1ccc(N(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C(C)C)cc1F ZINC000749151849 1021759507 /nfs/dbraw/zinc/75/95/07/1021759507.db2.gz XAWVZECAVPZAQZ-UHFFFAOYSA-N 0 0 387.499 3.774 20 10 GHCDRN Cc1c(NC/C=C/c2ccc(N(C)C)cc2)cccc1C(=O)N1CCOCC1 ZINC000835030530 1021787163 /nfs/dbraw/zinc/78/71/63/1021787163.db2.gz YZSOPRGASBIPEE-AATRIKPKSA-N 0 0 379.504 3.659 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)[C@H]3COC[C@H]3c3ccccc3)cc2)CC1 ZINC000826861380 1021806356 /nfs/dbraw/zinc/80/63/56/1021806356.db2.gz FKGVKKBFUZABSP-GOTSBHOMSA-N 0 0 378.516 3.969 20 10 GHCDRN CCOc1ccc(O)c(CN[C@H](C(=O)OC)c2ccccc2Br)c1 ZINC000827158692 1021922269 /nfs/dbraw/zinc/92/22/69/1021922269.db2.gz TYRCLNABQLCJCR-KRWDZBQOSA-N 0 0 394.265 3.557 20 10 GHCDRN CCC[C@@]1(CO)CCCN1C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC001156400859 1033018349 /nfs/dbraw/zinc/01/83/49/1033018349.db2.gz QIWHJCGXYVVRAN-QHCPKHFHSA-N 0 0 382.504 3.603 20 10 GHCDRN CN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1c([O-])cc(F)cc1F)CC2 ZINC001140580966 1022001086 /nfs/dbraw/zinc/00/10/86/1022001086.db2.gz NVVOLGPYNMTZPO-QGZVFWFLSA-N 0 0 386.442 3.651 20 10 GHCDRN Fc1cc(N2CCOCC2)ccc1CN1Cc2cccc(Br)c2C1 ZINC001140661740 1022198613 /nfs/dbraw/zinc/19/86/13/1022198613.db2.gz QLVIFEZZCBQTOW-UHFFFAOYSA-N 0 0 391.284 3.941 20 10 GHCDRN Cc1ccc([C@]2(C)CN(Cc3ccc(N4CCOCC4)cc3F)CCO2)cc1 ZINC001140663460 1022204454 /nfs/dbraw/zinc/20/44/54/1022204454.db2.gz FPJJWUWQJXPNHE-QHCPKHFHSA-N 0 0 384.495 3.718 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1cncc(-c2nncn2C)c1 ZINC000754101225 1022482806 /nfs/dbraw/zinc/48/28/06/1022482806.db2.gz DVHONFJREOQNRJ-UHFFFAOYSA-N 0 0 386.459 3.845 20 10 GHCDRN CCNC(=O)C1(C[NH2+][C@H](C)c2cc(Br)cc(Cl)c2[O-])CCC1 ZINC000754103810 1022482850 /nfs/dbraw/zinc/48/28/50/1022482850.db2.gz KJLQCLQGIDHUPD-SNVBAGLBSA-N 0 0 389.721 3.765 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)/C(C)=C\c3ccc(OC)c(F)c3)CC2)cc1 ZINC000754156435 1022511963 /nfs/dbraw/zinc/51/19/63/1022511963.db2.gz OGGWDWMJQSWFOL-ICFOKQHNSA-N 0 0 398.478 3.985 20 10 GHCDRN COc1ccc(N2CCN(Cc3ccc(OC(F)F)c(OC)c3)CC2)cc1F ZINC000754178318 1022523058 /nfs/dbraw/zinc/52/30/58/1022523058.db2.gz JIMCAUFGOHHKPD-UHFFFAOYSA-N 0 0 396.409 3.767 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000754294343 1022590086 /nfs/dbraw/zinc/59/00/86/1022590086.db2.gz TYCPTJFXTKVWEF-FPOVZHCZSA-N 0 0 385.483 3.920 20 10 GHCDRN Cc1ccc(/C=C/C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 ZINC000754321987 1022619717 /nfs/dbraw/zinc/61/97/17/1022619717.db2.gz YUVFNRUHGKSMMN-CEUCYRDJSA-N 0 0 387.430 3.790 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cnc(Br)cc2C)c1 ZINC000754468465 1022724100 /nfs/dbraw/zinc/72/41/00/1022724100.db2.gz LBWSZDKYBLTVDE-JTQLQIEISA-N 0 0 380.242 3.749 20 10 GHCDRN CSCC1CCC(NC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000836241192 1022757523 /nfs/dbraw/zinc/75/75/23/1022757523.db2.gz CZOADZQDVZWGOO-UHFFFAOYSA-N 0 0 393.622 3.961 20 10 GHCDRN CO[C@@](C)(C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000754543000 1022760579 /nfs/dbraw/zinc/76/05/79/1022760579.db2.gz KYMDAOADQNSOGN-XMMPIXPASA-N 0 0 385.419 3.962 20 10 GHCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cnc2ccccc2n1 ZINC000754549031 1022763660 /nfs/dbraw/zinc/76/36/60/1022763660.db2.gz HVJFLBSZTWWRRY-UHFFFAOYSA-N 0 0 379.375 3.658 20 10 GHCDRN C[C@@H](NC(=O)N(C)Cc1c(F)cccc1F)c1ccc(N2CCOCC2)cc1 ZINC000836256298 1022782322 /nfs/dbraw/zinc/78/23/22/1022782322.db2.gz OIFVKYSQOZDOSF-OAHLLOKOSA-N 0 0 389.446 3.704 20 10 GHCDRN CC(C)n1ncc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1-c1ccccc1 ZINC000754675594 1022824803 /nfs/dbraw/zinc/82/48/03/1022824803.db2.gz ICFVPERUSQPXBL-HNNXBMFYSA-N 0 0 379.460 3.903 20 10 GHCDRN C[C@@](O)(C(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000754839899 1022926876 /nfs/dbraw/zinc/92/68/76/1022926876.db2.gz XXUVPZJHBYADFO-FQEVSTJZSA-N 0 0 392.421 3.830 20 10 GHCDRN C[C@@H](SC[C@@H]1CCCO1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000754914118 1022964200 /nfs/dbraw/zinc/96/42/00/1022964200.db2.gz OUSBQCSNMGWLBX-KGLIPLIRSA-N 0 0 395.480 3.701 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCn4ccnc43)cc2Cl)C1 ZINC000836443637 1022977582 /nfs/dbraw/zinc/97/75/82/1022977582.db2.gz IIWOFOMQPSGFKC-YOEHRIQHSA-N 0 0 387.915 3.717 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NC[C@@H]3CSc4ccccc43)CC2)cc1 ZINC000836505258 1023042975 /nfs/dbraw/zinc/04/29/75/1023042975.db2.gz KFNUHHUNOJCVCC-QGZVFWFLSA-N 0 0 397.544 3.806 20 10 GHCDRN CO[C@@H]1CC[C@H]2OCCN(CC(=O)c3cc(C)n(-c4ccccc4)c3C)[C@@H]2C1 ZINC000755052230 1023047170 /nfs/dbraw/zinc/04/71/70/1023047170.db2.gz DSFSKXVKCKUWFG-KJXAQDMKSA-N 0 0 382.504 3.545 20 10 GHCDRN CO[C@@H]1CC[C@H]2OCCN(CC(=O)c3cc(C)n(-c4ccc(C)cc4)c3C)[C@H]2C1 ZINC000755052907 1023048661 /nfs/dbraw/zinc/04/86/61/1023048661.db2.gz JOAUTHCONCDWOP-JCTONOIOSA-N 0 0 396.531 3.854 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCOc2ccc(F)c(Cl)c2)c1 ZINC000836548116 1023099439 /nfs/dbraw/zinc/09/94/39/1023099439.db2.gz RZKMWUVAWWVUJN-LLVKDONJSA-N 0 0 382.819 3.633 20 10 GHCDRN Cc1c2ccccc2oc(=O)c1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000755168985 1023107277 /nfs/dbraw/zinc/10/72/77/1023107277.db2.gz KSMHWGYOSVZIMJ-UHFFFAOYSA-N 0 0 376.456 3.972 20 10 GHCDRN CC[C@H](C)c1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 ZINC000755213209 1023130399 /nfs/dbraw/zinc/13/03/99/1023130399.db2.gz STTWPPBPSBTGAZ-LAUBAEHRSA-N 0 0 393.531 3.832 20 10 GHCDRN COC[C@@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000836583351 1023142448 /nfs/dbraw/zinc/14/24/48/1023142448.db2.gz PFBWZACHMPDRFS-GOSISDBHSA-N 0 0 389.927 3.978 20 10 GHCDRN C[C@@]1(CNC(=O)NCc2cccc(Br)c2O)CC1(Cl)Cl ZINC000836592745 1023155061 /nfs/dbraw/zinc/15/50/61/1023155061.db2.gz MJDPKIBUSHVCMM-LBPRGKRZSA-N 0 0 382.085 3.538 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCO[C@@H](c3ccccn3)C2)cc1 ZINC000836638736 1023201278 /nfs/dbraw/zinc/20/12/78/1023201278.db2.gz VCPVXPJWHJGKOK-DENIHFKCSA-N 0 0 396.535 3.990 20 10 GHCDRN COc1cccc(CNC(=O)Nc2ccc(Br)c(C3CC3)n2)c1O ZINC000836685784 1023256163 /nfs/dbraw/zinc/25/61/63/1023256163.db2.gz QGJTZTZAUUYSAP-UHFFFAOYSA-N 0 0 392.253 3.757 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccnc(Br)c1 ZINC000836691706 1023261406 /nfs/dbraw/zinc/26/14/06/1023261406.db2.gz AVEQUQSJYVKZIH-UHFFFAOYSA-N 0 0 375.270 3.766 20 10 GHCDRN Cc1nc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ccc1-c1cnn(C)c1 ZINC000836704494 1023276972 /nfs/dbraw/zinc/27/69/72/1023276972.db2.gz FTLJUQXVGMDEAP-AWEZNQCLSA-N 0 0 378.480 3.739 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)c(C)n1-c1ccccn1 ZINC000755514993 1023280146 /nfs/dbraw/zinc/28/01/46/1023280146.db2.gz SFQXEAWDVOXYGS-INIZCTEOSA-N 0 0 396.441 3.776 20 10 GHCDRN CC[C@@H](CCO)NC(=O)c1cc(C)n(-c2ccccc2Br)c1C ZINC000755990805 1023468974 /nfs/dbraw/zinc/46/89/74/1023468974.db2.gz PAUZZQWTUDDDER-AWEZNQCLSA-N 0 0 379.298 3.747 20 10 GHCDRN CC(C)CSCCNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000756058120 1023502398 /nfs/dbraw/zinc/50/23/98/1023502398.db2.gz QTLMBMZMLOMQTK-HOTGVXAUSA-N 0 0 397.560 3.628 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NCCC3Cc4ccccc4C3)CC2)cc1 ZINC000756084058 1023515717 /nfs/dbraw/zinc/51/57/17/1023515717.db2.gz GYTSIKBPEAALGL-UHFFFAOYSA-N 0 0 393.531 3.768 20 10 GHCDRN Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756360454 1023604760 /nfs/dbraw/zinc/60/47/60/1023604760.db2.gz UHMWHTBIMFRKPZ-QRWLVFNGSA-N 0 0 376.447 3.703 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)c1 ZINC000756361213 1023606473 /nfs/dbraw/zinc/60/64/73/1023606473.db2.gz IVGFCODMHWVFFY-SZNDQCEHSA-N 0 0 385.460 3.998 20 10 GHCDRN C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1cc(Br)c(F)cc1[O-] ZINC000756370381 1023612633 /nfs/dbraw/zinc/61/26/33/1023612633.db2.gz GAMLDEHPVXYZBN-SNVBAGLBSA-N 0 0 382.229 3.916 20 10 GHCDRN C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000756430230 1023643888 /nfs/dbraw/zinc/64/38/88/1023643888.db2.gz JXEBGKMSPGRTOJ-STQMWFEESA-N 0 0 390.430 3.740 20 10 GHCDRN C[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1cc(Br)c(F)cc1[O-] ZINC000756440025 1023650810 /nfs/dbraw/zinc/65/08/10/1023650810.db2.gz BZERVOPSOIGANB-LLVKDONJSA-N 0 0 387.293 3.783 20 10 GHCDRN CCc1c(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cnn1CCC(C)C ZINC000756448041 1023655518 /nfs/dbraw/zinc/65/55/18/1023655518.db2.gz QIMOXZDCVYKCAJ-UHFFFAOYSA-N 0 0 398.551 3.853 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000756455042 1023659729 /nfs/dbraw/zinc/65/97/29/1023659729.db2.gz HUHMODDKOCRBFD-GJZGRUSLSA-N 0 0 382.460 3.717 20 10 GHCDRN Cc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])c1 ZINC000756460399 1023663859 /nfs/dbraw/zinc/66/38/59/1023663859.db2.gz PPJZNDQSXUIFCS-LBPRGKRZSA-N 0 0 395.272 3.683 20 10 GHCDRN C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756476250 1023674386 /nfs/dbraw/zinc/67/43/86/1023674386.db2.gz REULGDPQLHEPLD-QWHCGFSZSA-N 0 0 377.391 3.756 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)c1 ZINC000756476742 1023675118 /nfs/dbraw/zinc/67/51/18/1023675118.db2.gz UQDYSLIYVBWSFP-DIFFPNOSSA-N 0 0 383.366 3.582 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756504001 1023687322 /nfs/dbraw/zinc/68/73/22/1023687322.db2.gz SDAKTBKZCWDDOK-QLJPJBMISA-N 0 0 386.326 3.583 20 10 GHCDRN C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1cc(Br)c(F)cc1[O-] ZINC000756532235 1023701086 /nfs/dbraw/zinc/70/10/86/1023701086.db2.gz FJLHWAXJOBBFHI-JTQLQIEISA-N 0 0 391.281 3.859 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756568113 1023715818 /nfs/dbraw/zinc/71/58/18/1023715818.db2.gz BJMSOMUTYNORBN-RYUDHWBXSA-N 0 0 394.302 3.727 20 10 GHCDRN C[C@@H]([NH2+]CC1(O)CCCC1)c1cc(Br)cc(Br)c1[O-] ZINC000756573500 1023717799 /nfs/dbraw/zinc/71/77/99/1023717799.db2.gz KFLJHCGYBCBIGH-SECBINFHSA-N 0 0 393.119 3.873 20 10 GHCDRN C[C@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756591280 1023725161 /nfs/dbraw/zinc/72/51/61/1023725161.db2.gz GQLBYSOQPVSIPP-HSBZDZAISA-N 0 0 379.457 3.787 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCCN(C)[C@@H]2c2cccs2)c1 ZINC000756596982 1023728341 /nfs/dbraw/zinc/72/83/41/1023728341.db2.gz IMPHQEKOFJYABC-NBQZKYEYSA-N 0 0 388.533 3.974 20 10 GHCDRN C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756599148 1023729529 /nfs/dbraw/zinc/72/95/29/1023729529.db2.gz XNWGVZRJKDRJDD-MLGOLLRUSA-N 0 0 389.839 3.800 20 10 GHCDRN C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000756611529 1023737842 /nfs/dbraw/zinc/73/78/42/1023737842.db2.gz WLRQFTVRTRLKDJ-MDOVXXIYSA-N 0 0 376.447 3.611 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)c1 ZINC000756617766 1023739948 /nfs/dbraw/zinc/73/99/48/1023739948.db2.gz PKILUOZWPAYAFV-AWEZNQCLSA-N 0 0 385.460 3.985 20 10 GHCDRN C[C@@H]([NH2+]Cc1ccon1)c1cc(Br)cc(Br)c1[O-] ZINC000756638043 1023748561 /nfs/dbraw/zinc/74/85/61/1023748561.db2.gz RBLIYHJFYXWMHF-SSDOTTSWSA-N 0 0 376.048 3.756 20 10 GHCDRN Cc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(OC[C@@H]2CCOC2)c1 ZINC000756648749 1023753720 /nfs/dbraw/zinc/75/37/20/1023753720.db2.gz ZJJQEAMSRVFSKN-HZPDHXFCSA-N 0 0 386.448 3.875 20 10 GHCDRN CN(Cc1nnc(-c2ccc(Br)s2)o1)c1ccc2c(c1)OCO2 ZINC000756653498 1023756440 /nfs/dbraw/zinc/75/64/40/1023756440.db2.gz KUTRBJIADCEIDC-UHFFFAOYSA-N 0 0 394.250 3.926 20 10 GHCDRN COc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756713102 1023784756 /nfs/dbraw/zinc/78/47/56/1023784756.db2.gz TYSLKGSDODDXLD-ZUZCIYMTSA-N 0 0 384.245 3.687 20 10 GHCDRN C[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1cc(Br)c(F)cc1[O-] ZINC000756776366 1023810196 /nfs/dbraw/zinc/81/01/96/1023810196.db2.gz YUHRWBIQJLOVRV-GXFFZTMASA-N 0 0 386.236 3.687 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000756782324 1023813007 /nfs/dbraw/zinc/81/30/07/1023813007.db2.gz AHVBKIBJSVPJNS-BZNIZROVSA-N 0 0 383.366 3.582 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000756785044 1023814741 /nfs/dbraw/zinc/81/47/41/1023814741.db2.gz RTIRKYBGVSCJIQ-VIZZQPHQSA-N 0 0 388.895 3.928 20 10 GHCDRN C[C@@H](Nc1ccc(N2CCOCC2)cn1)c1cc(Br)c(F)cc1O ZINC000756800663 1023819334 /nfs/dbraw/zinc/81/93/34/1023819334.db2.gz CDYZFBGEFQFSRD-LLVKDONJSA-N 0 0 396.260 3.699 20 10 GHCDRN COc1ccc(N[C@H](C)c2cc(F)cc(F)c2O)cc1OCC(=O)NC1CC1 ZINC000756802405 1023819565 /nfs/dbraw/zinc/81/95/65/1023819565.db2.gz BYQPCPYEKPDTGT-LLVKDONJSA-N 0 0 392.402 3.510 20 10 GHCDRN C[C@H]1C[C@@H](Nc2ccc(CC(=O)N3CCOCC3)cc2)c2c1c(F)ccc2O ZINC000756801643 1023820134 /nfs/dbraw/zinc/82/01/34/1023820134.db2.gz BMRVBFIISOJDMF-KBXCAEBGSA-N 0 0 384.451 3.593 20 10 GHCDRN C[C@@H](Nc1cccc2c1oc(=O)n2C)c1cc(Br)cc(F)c1O ZINC000756854992 1023836576 /nfs/dbraw/zinc/83/65/76/1023836576.db2.gz IPRBGIJFQLRUGD-MRVPVSSYSA-N 0 0 381.201 3.912 20 10 GHCDRN Cc1cc(CC(=O)NCCCO[C@@H]2CCOC2)c(C)n1-c1ccc(Cl)cc1 ZINC000756988768 1023899006 /nfs/dbraw/zinc/89/90/06/1023899006.db2.gz FKDWMGZLPRGTQU-HXUWFJFHSA-N 0 0 390.911 3.602 20 10 GHCDRN Cc1cc(C(=O)NCCCO[C@H]2CCOC2)c(C)n1-c1cccc(Cl)c1 ZINC000756990606 1023900624 /nfs/dbraw/zinc/90/06/24/1023900624.db2.gz QUJYLUQBHKOQGV-SFHVURJKSA-N 0 0 376.884 3.673 20 10 GHCDRN Cc1ccc(N)cc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830665236 1024054471 /nfs/dbraw/zinc/05/44/71/1024054471.db2.gz RNDVKEMFVWDTMH-HNNXBMFYSA-N 0 0 375.419 3.577 20 10 GHCDRN Cc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(C)n1-c1ccon1 ZINC000830899755 1024227868 /nfs/dbraw/zinc/22/78/68/1024227868.db2.gz LJPSRTGVXITKAW-SFHVURJKSA-N 0 0 395.459 3.609 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2cc(C(C)C)no2)c(C)n1-c1ccc(F)cn1 ZINC000837526401 1024527393 /nfs/dbraw/zinc/52/73/93/1024527393.db2.gz LQSFIWMZPOWEQF-UHFFFAOYSA-N 0 0 385.395 3.779 20 10 GHCDRN CC(C)[C@H](C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000837708390 1024651990 /nfs/dbraw/zinc/65/19/90/1024651990.db2.gz ULLJTJGCHLWLIA-FQEVSTJZSA-N 0 0 388.458 3.857 20 10 GHCDRN O=C(C[C@@H]1CCc2ccccc21)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837709769 1024654368 /nfs/dbraw/zinc/65/43/68/1024654368.db2.gz QBFJXECTNLBGKX-KRWDZBQOSA-N 0 0 386.442 3.538 20 10 GHCDRN Cc1ccccc1C(C)(C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000837712871 1024656116 /nfs/dbraw/zinc/65/61/16/1024656116.db2.gz FFWJVJZUZUAITK-UHFFFAOYSA-N 0 0 399.510 3.830 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)NC3(C4(C)CC4)CC3)cc2F)C[C@@H](C)O1 ZINC000837715045 1024658109 /nfs/dbraw/zinc/65/81/09/1024658109.db2.gz UKMNKFONHICUOQ-HUUCEWRRSA-N 0 0 375.488 3.571 20 10 GHCDRN CCOCc1nn(CC2CC2)c2c1CN(Cc1ccc3c(c1)CCCN3C)CC2 ZINC001138355235 1024717969 /nfs/dbraw/zinc/71/79/69/1024717969.db2.gz MACMBQMDJKIZKF-UHFFFAOYSA-N 0 0 394.563 3.770 20 10 GHCDRN CN1CCCc2cc(CN3CC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)C3)ccc21 ZINC001138356334 1024720128 /nfs/dbraw/zinc/72/01/28/1024720128.db2.gz LFSWUEVOPZMFDO-GOSISDBHSA-N 0 0 395.494 3.803 20 10 GHCDRN CC(C)(c1ccccc1)C1(NC(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000837816779 1024733843 /nfs/dbraw/zinc/73/38/43/1024733843.db2.gz JBTROUFORXTXCY-UHFFFAOYSA-N 0 0 393.531 3.833 20 10 GHCDRN Cc1nc([C@H]2CCC[N@H+](Cc3cc(Cl)cc(Br)c3[O-])C2)no1 ZINC001141367823 1024741524 /nfs/dbraw/zinc/74/15/24/1024741524.db2.gz RUJZTEWPERYHCY-JTQLQIEISA-N 0 0 386.677 3.879 20 10 GHCDRN CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC001141374470 1024766854 /nfs/dbraw/zinc/76/68/54/1024766854.db2.gz JFIUVPSXXLXQRY-ZANVPECISA-N 0 0 378.694 3.828 20 10 GHCDRN C[N@H+](Cc1cc(Cl)cc(Br)c1[O-])[C@@H]1CCC2(C1)OCCO2 ZINC001141374371 1024766960 /nfs/dbraw/zinc/76/69/60/1024766960.db2.gz GFHXIAUQXBTYHD-GFCCVEGCSA-N 0 0 376.678 3.536 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CCC[C@H](Oc2cnccn2)C1 ZINC001141377656 1024775068 /nfs/dbraw/zinc/77/50/68/1024775068.db2.gz XAYAQRGDDLDCTE-ZDUSSCGKSA-N 0 0 398.688 3.642 20 10 GHCDRN C[C@H](Cc1cccc(F)c1)N(C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000837883573 1024781052 /nfs/dbraw/zinc/78/10/52/1024781052.db2.gz ZSXTZUABRURLAM-MSOLQXFVSA-N 0 0 399.510 3.996 20 10 GHCDRN COCCOc1ccc(N2CCN(Cc3cc4cc(C)ccc4[nH]3)CC2)cc1 ZINC001138418634 1024810594 /nfs/dbraw/zinc/81/05/94/1024810594.db2.gz WFRHXNYHDPOPCR-UHFFFAOYSA-N 0 0 379.504 3.824 20 10 GHCDRN CCOC(=O)C1(CNC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 ZINC001138496871 1024929612 /nfs/dbraw/zinc/92/96/12/1024929612.db2.gz LUURYDRUYKCBAS-UHFFFAOYSA-N 0 0 388.895 3.750 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1F ZINC000838389496 1025107817 /nfs/dbraw/zinc/10/78/17/1025107817.db2.gz AIKRGFWZNRJQQV-GHTZIAJQSA-N 0 0 391.531 3.755 20 10 GHCDRN Nc1ccc(CC(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)cc1 ZINC000832002447 1025109168 /nfs/dbraw/zinc/10/91/68/1025109168.db2.gz LRMSTYPXLJLCRV-INIZCTEOSA-N 0 0 378.303 3.903 20 10 GHCDRN CN1CCC[C@@H](NC(=O)NCCCSc2nccs2)c2ccccc21 ZINC000838514075 1025184976 /nfs/dbraw/zinc/18/49/76/1025184976.db2.gz OCAMVSFPBIXPNW-OAHLLOKOSA-N 0 0 376.551 3.896 20 10 GHCDRN O=C(NCCCSc1nccs1)NCCc1cccc(C(F)(F)F)n1 ZINC000838517140 1025188385 /nfs/dbraw/zinc/18/83/85/1025188385.db2.gz UKIANTPBDHSELM-UHFFFAOYSA-N 0 0 390.456 3.581 20 10 GHCDRN O=C(NC1CCC(OC(F)F)CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000838713402 1025314860 /nfs/dbraw/zinc/31/48/60/1025314860.db2.gz AIPBTAJQWRTKRM-OFLPRAFFSA-N 0 0 398.450 3.633 20 10 GHCDRN CC(C)[C@H](C)N(C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)C1CC1 ZINC000838746168 1025341471 /nfs/dbraw/zinc/34/14/71/1025341471.db2.gz FXPXTNVVYAFQPN-AWEZNQCLSA-N 0 0 381.467 3.520 20 10 GHCDRN CC(C)CN(C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000838746380 1025341974 /nfs/dbraw/zinc/34/19/74/1025341974.db2.gz HWEYTZJGMLUOJG-UHFFFAOYSA-N 0 0 395.494 3.912 20 10 GHCDRN CC[NH+]1CCN(c2cccc(NC(=O)c3ccc4oc(=S)[n-]c4c3)c2)CC1 ZINC000832344961 1025460815 /nfs/dbraw/zinc/46/08/15/1025460815.db2.gz CTODBNUBAUTDLY-UHFFFAOYSA-N 0 0 382.489 3.511 20 10 GHCDRN Brc1cc(CNCc2noc(C3CC3)n2)ccc1N1CCCCC1 ZINC000839067734 1025556868 /nfs/dbraw/zinc/55/68/68/1025556868.db2.gz ZVJPQPPTSVPISL-UHFFFAOYSA-N 0 0 391.313 3.990 20 10 GHCDRN COC(=O)[C@]1(C)CCCN(C(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)C1 ZINC001162072045 1025585308 /nfs/dbraw/zinc/58/53/08/1025585308.db2.gz FZOFCBIHUSPTDN-HSZRJFAPSA-N 0 0 396.487 3.630 20 10 GHCDRN CN(C)c1cc(F)c(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1F ZINC001205193387 1033293401 /nfs/dbraw/zinc/29/34/01/1033293401.db2.gz MQEBGIOGECZFFJ-UHFFFAOYSA-N 0 0 393.865 3.642 20 10 GHCDRN OCCc1ccc(NCc2ccc(N3CCCCC3)c(Br)c2)cn1 ZINC000839106730 1025604880 /nfs/dbraw/zinc/60/48/80/1025604880.db2.gz KUYBGNNABCVKLF-UHFFFAOYSA-N 0 0 390.325 3.981 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1c[nH]c(=S)n1-c1ccccc1 ZINC001162107966 1025610370 /nfs/dbraw/zinc/61/03/70/1025610370.db2.gz NFILINGUGFIAGK-INIZCTEOSA-N 0 0 394.544 3.896 20 10 GHCDRN C[NH+](C)CCOc1ccc(NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1F ZINC000839188857 1025706484 /nfs/dbraw/zinc/70/64/84/1025706484.db2.gz MWMVRLTWROLLBA-UHFFFAOYSA-N 0 0 383.807 3.645 20 10 GHCDRN CC(C)(C)C[C@@H]1CCN(C(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000839211100 1025727103 /nfs/dbraw/zinc/72/71/03/1025727103.db2.gz DEJYGZQHOZURKB-KRWDZBQOSA-N 0 0 398.503 3.799 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N(C)[C@H](C)c2ccccc2F)cc1 ZINC000839235197 1025748130 /nfs/dbraw/zinc/74/81/30/1025748130.db2.gz DFXPETBQDYOURD-QGZVFWFLSA-N 0 0 399.510 3.850 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)CCc1ccc(Cl)c(F)c1 ZINC001162540328 1025785570 /nfs/dbraw/zinc/78/55/70/1025785570.db2.gz VDZRECZDAQOTPS-UHFFFAOYSA-N 0 0 393.842 3.709 20 10 GHCDRN CCOc1cc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc(C)n1 ZINC001162651976 1025852568 /nfs/dbraw/zinc/85/25/68/1025852568.db2.gz DHGJFAGKOWBGIT-AWEZNQCLSA-N 0 0 378.423 3.866 20 10 GHCDRN CCN(CC)c1ccc(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC001162718377 1025889794 /nfs/dbraw/zinc/88/97/94/1025889794.db2.gz JEVRQIUQMSKIJT-GOSISDBHSA-N 0 0 381.520 3.798 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CCC2(CC(OCC3CC3)C2)CC1 ZINC001139127245 1025938960 /nfs/dbraw/zinc/93/89/60/1025938960.db2.gz IDENWVZDMALFOM-UHFFFAOYSA-N 0 0 383.488 3.978 20 10 GHCDRN Cc1cccc(O[C@H]2CCC[N@H+](Cc3c([O-])ccc4c(C)cc(=O)oc43)C2)n1 ZINC001139130273 1025943620 /nfs/dbraw/zinc/94/36/20/1025943620.db2.gz WLTVMLXUAJJTLR-INIZCTEOSA-N 0 0 380.444 3.554 20 10 GHCDRN COc1ccc(N2CCN(C(=O)C[C@H](c3ccc(O)cc3)C3CC3)CC2)cc1 ZINC000839459635 1025948884 /nfs/dbraw/zinc/94/88/84/1025948884.db2.gz PFHGEZBPQCPOKR-QFIPXVFZSA-N 0 0 380.488 3.633 20 10 GHCDRN CC[C@@H](C)[C@@H](NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1)C(F)(F)F ZINC000839525817 1026011007 /nfs/dbraw/zinc/01/10/07/1026011007.db2.gz YNTSNGNFTILSNX-CXAGYDPISA-N 0 0 399.457 3.885 20 10 GHCDRN C[C@H](NCc1nc2ccc(Cl)cc2c(=O)[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000839541824 1026033751 /nfs/dbraw/zinc/03/37/51/1026033751.db2.gz NCJRROYPNSEQHK-AWEZNQCLSA-N 0 0 398.894 3.676 20 10 GHCDRN COc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000839544952 1026039916 /nfs/dbraw/zinc/03/99/16/1026039916.db2.gz CHXKCLKSZAXBJD-VQTJNVASSA-N 0 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ZINC000839921818 1026348517 /nfs/dbraw/zinc/34/85/17/1026348517.db2.gz NHDQPADZWPWZGB-GOSISDBHSA-N 0 0 384.520 3.585 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cc1cc2ccccc2c(=O)[nH]1 ZINC000839922076 1026348834 /nfs/dbraw/zinc/34/88/34/1026348834.db2.gz NNCKMFAAINEHAO-MRXNPFEDSA-N 0 0 377.488 3.605 20 10 GHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C[C@@](C)(O)c2ccccc2)cc1 ZINC001163901264 1026354498 /nfs/dbraw/zinc/35/44/98/1026354498.db2.gz IYTOJKZBHGRCJN-HXUWFJFHSA-N 0 0 394.437 3.941 20 10 GHCDRN CCOC(=O)C(=Cc1cc(C)c(C)nc1N[C@H](C(=O)OC)[C@@H](C)CC)N=[N+]=[N-] ZINC001164128347 1026427720 /nfs/dbraw/zinc/42/77/20/1026427720.db2.gz LHHSTHONUFXEIE-UOZYYELFSA-N 0 0 389.456 3.912 20 10 GHCDRN O=C(c1cccs1)N1CCC[C@@]2(CC[N@@H+](Cc3c(F)ccc(F)c3[O-])C2)C1 ZINC001139681751 1026536283 /nfs/dbraw/zinc/53/62/83/1026536283.db2.gz DNXIKIIXDFMAPN-FQEVSTJZSA-N 0 0 392.471 3.860 20 10 GHCDRN O=C(c1cccs1)N1CCC[C@]2(CC[N@@H+](Cc3c(F)ccc(F)c3[O-])C2)C1 ZINC001139681752 1026536916 /nfs/dbraw/zinc/53/69/16/1026536916.db2.gz DNXIKIIXDFMAPN-HXUWFJFHSA-N 0 0 392.471 3.860 20 10 GHCDRN O=C1CCC2(CC[NH+](Cc3c(F)ccc(F)c3[O-])CC2)N1Cc1ccccc1 ZINC001139685463 1026538989 /nfs/dbraw/zinc/53/89/89/1026538989.db2.gz ZHQUDBHOWCNCQB-UHFFFAOYSA-N 0 0 386.442 3.828 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(C(F)(F)c2nccc(Cl)n2)C1 ZINC001165093274 1026602361 /nfs/dbraw/zinc/60/23/61/1026602361.db2.gz FNGNLUUAZPLSAS-UHFFFAOYSA-N 0 0 378.810 3.738 20 10 GHCDRN O=C(N[C@H](C(=O)NCc1cc(Cl)ccc1O)c1ccccc1)c1ccccc1 ZINC001165498396 1026747076 /nfs/dbraw/zinc/74/70/76/1026747076.db2.gz MUJKNENWGXOICY-FQEVSTJZSA-N 0 0 394.858 3.833 20 10 GHCDRN Cc1cc(C(=O)Nc2cn(C)nc2C)c(C)n1-c1ccc(Br)cn1 ZINC001166048717 1026904961 /nfs/dbraw/zinc/90/49/61/1026904961.db2.gz VONKMLKGQOPPLL-UHFFFAOYSA-N 0 0 388.269 3.546 20 10 GHCDRN COC(=O)c1cnc(SC[C@@H](O)Cc2ccccc2C(F)(F)F)s1 ZINC000834382878 1026962450 /nfs/dbraw/zinc/96/24/50/1026962450.db2.gz PLMNXLIVMWUKDX-JTQLQIEISA-N 0 0 377.409 3.644 20 10 GHCDRN COC(=O)c1cc(Br)c(Nc2ccc3c(c2)OCCN3)cc1OC ZINC001209765857 1027165590 /nfs/dbraw/zinc/16/55/90/1027165590.db2.gz BSBKULWMOWHUJM-UHFFFAOYSA-N 0 0 393.237 3.792 20 10 GHCDRN COC[C@@H]1CCC[N@@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC001203563118 1027436031 /nfs/dbraw/zinc/43/60/31/1027436031.db2.gz VTEFWWJQNQAAQE-NSHDSACASA-N 0 0 379.092 3.528 20 10 GHCDRN COC1([C@@H](C)NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC1 ZINC000840314005 1027440709 /nfs/dbraw/zinc/44/07/09/1027440709.db2.gz CUGWNEXMXBJIRV-HUUCEWRRSA-N 0 0 397.466 3.514 20 10 GHCDRN O=C(c1ccccc1)N1C[C@@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]2C1 ZINC001203575055 1027443571 /nfs/dbraw/zinc/44/35/71/1027443571.db2.gz CKAYGQNPTYPVRL-IYBDPMFKSA-N 0 0 391.298 3.903 20 10 GHCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001203575017 1027443818 /nfs/dbraw/zinc/44/38/18/1027443818.db2.gz BDNDEJQULHUKAS-KUHUBIRLSA-N 0 0 395.286 3.621 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@@H](C[C@H](C)O)c1ccccc1 ZINC000840324911 1027453938 /nfs/dbraw/zinc/45/39/38/1027453938.db2.gz IPZCTOAKNSZLPE-CNNODRBYSA-N 0 0 397.563 3.846 20 10 GHCDRN CCOC[C@@H]1CN(Cc2cccc(OCC)c2O)Cc2ncn(CC3CC3)c21 ZINC001203603388 1027468546 /nfs/dbraw/zinc/46/85/46/1027468546.db2.gz MVWGQKFIHDENKF-SFHVURJKSA-N 0 0 385.508 3.533 20 10 GHCDRN Nc1ccc2c(c1Nc1cccc([N+](=O)[O-])c1F)C(=O)c1ccccc1C2=O ZINC001210385383 1027483377 /nfs/dbraw/zinc/48/33/77/1027483377.db2.gz GCTKGTPFFVBEQO-UHFFFAOYSA-N 0 0 377.331 3.835 20 10 GHCDRN CN(C)c1ccc(/C=C/CNc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 ZINC001203625579 1027486164 /nfs/dbraw/zinc/48/61/64/1027486164.db2.gz RMKBAQXGSMMFDW-VOTSOKGWSA-N 0 0 387.549 3.955 20 10 GHCDRN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(Br)ccc1O ZINC001203639355 1027497654 /nfs/dbraw/zinc/49/76/54/1027497654.db2.gz BVEXKLWBEVVTLN-LBPRGKRZSA-N 0 0 385.302 3.596 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCc1ccnc(C(F)(F)F)c1 ZINC000840382306 1027500820 /nfs/dbraw/zinc/50/08/20/1027500820.db2.gz MAVGNENJMYEBLM-AWEZNQCLSA-N 0 0 394.441 3.905 20 10 GHCDRN CCOC[C@@H]1CN(Cc2cc(Br)ccc2O)Cc2cn(CC)nc21 ZINC001203643275 1027501190 /nfs/dbraw/zinc/50/11/90/1027501190.db2.gz NHTDKTWHXRPSCJ-HNNXBMFYSA-N 0 0 394.313 3.507 20 10 GHCDRN Oc1ccc(Br)cc1CN1CCc2nn(-c3ccccc3)cc2C1 ZINC001203650474 1027507841 /nfs/dbraw/zinc/50/78/41/1027507841.db2.gz UXRBUNYGDKSAHN-UHFFFAOYSA-N 0 0 384.277 3.899 20 10 GHCDRN CC[C@@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)CC(F)(F)F ZINC000840427463 1027529050 /nfs/dbraw/zinc/52/90/50/1027529050.db2.gz HKATYTQJVZXFLT-OAHLLOKOSA-N 0 0 387.446 3.643 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(Cc1cnn(C)c1)CC(C)C ZINC000840484163 1027567341 /nfs/dbraw/zinc/56/73/41/1027567341.db2.gz NEUONZFNBDUKBD-SFHVURJKSA-N 0 0 385.556 3.593 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)[C@H](C)Cc1ccc(O)cc1 ZINC000840482496 1027567694 /nfs/dbraw/zinc/56/76/94/1027567694.db2.gz XNWZUGWWOBMATP-QZTJIDSGSA-N 0 0 383.536 3.970 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCCC[C@H]1c1ccnn1C ZINC000840484886 1027569053 /nfs/dbraw/zinc/56/90/53/1027569053.db2.gz QJBHAHPCZGMSFW-UTKZUKDTSA-N 0 0 383.540 3.662 20 10 GHCDRN O=C(C/C=C/Cc1ccccc1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001141926479 1027678250 /nfs/dbraw/zinc/67/82/50/1027678250.db2.gz FPDVMLRGVCGUST-SNAWJCMRSA-N 0 0 386.442 3.607 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC001210875995 1027688300 /nfs/dbraw/zinc/68/83/00/1027688300.db2.gz VWGDFWSJEWNSNF-QFBILLFUSA-N 0 0 388.581 3.656 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC001210875998 1027688378 /nfs/dbraw/zinc/68/83/78/1027688378.db2.gz VWGDFWSJEWNSNF-VQIMIIECSA-N 0 0 388.581 3.656 20 10 GHCDRN COc1cccc(Oc2ccc(CNC(=O)NCc3cc(C)ccc3O)cn2)c1 ZINC001210907622 1027702536 /nfs/dbraw/zinc/70/25/36/1027702536.db2.gz RQXYCOWYLPJLJI-UHFFFAOYSA-N 0 0 393.443 3.896 20 10 GHCDRN COC(=O)CCN(CC(C)C)C(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC001141945466 1027726993 /nfs/dbraw/zinc/72/69/93/1027726993.db2.gz ZVGNTZYCUJLQNF-UHFFFAOYSA-N 0 0 384.476 3.568 20 10 GHCDRN CCN(CC)c1ccc(CN2CCN(c3ccc4c(c3)CCC4=O)CC2)cc1 ZINC001203946846 1027741605 /nfs/dbraw/zinc/74/16/05/1027741605.db2.gz YDJDEPBPYCBQQK-UHFFFAOYSA-N 0 0 377.532 3.984 20 10 GHCDRN COc1ccc(-c2ccc(N(C)S(=O)(=O)CCc3ccc(N)cc3)cc2)cc1 ZINC001203966636 1027765518 /nfs/dbraw/zinc/76/55/18/1027765518.db2.gz LRCQKRJXGKJIMS-UHFFFAOYSA-N 0 0 396.512 3.953 20 10 GHCDRN Cc1cc(N(C)C)ccc1CN(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000840920001 1027958418 /nfs/dbraw/zinc/95/84/18/1027958418.db2.gz CMUSYFDMWDATKM-SFHVURJKSA-N 0 0 378.925 3.675 20 10 GHCDRN CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccc(N(C)C)cc2C)c1 ZINC000840955964 1027985423 /nfs/dbraw/zinc/98/54/23/1027985423.db2.gz DFLXKVMPXWFVCH-UHFFFAOYSA-N 0 0 380.941 3.798 20 10 GHCDRN C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000840979090 1028019944 /nfs/dbraw/zinc/01/99/44/1028019944.db2.gz RISVYJQFUJIOGB-UWVGGRQHSA-N 0 0 393.119 3.510 20 10 GHCDRN COc1ccc2onc(CC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)c2c1 ZINC000841033157 1028058975 /nfs/dbraw/zinc/05/89/75/1028058975.db2.gz NONHEWGOACIUGT-UHFFFAOYSA-N 0 0 381.476 3.882 20 10 GHCDRN C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1cccc(N2CCCC2=O)c1 ZINC001142135134 1028223865 /nfs/dbraw/zinc/22/38/65/1028223865.db2.gz KJZSZRJFHFWENM-GFCCVEGCSA-N 0 0 396.468 3.930 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@@H](C(=O)N(C)C)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC001142170190 1028288350 /nfs/dbraw/zinc/28/83/50/1028288350.db2.gz RMVOEZVBIFKRRG-LJQANCHMSA-N 0 0 381.520 3.768 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@]1(CO)CCc2ccccc21 ZINC001461361293 1069519059 /nfs/dbraw/zinc/51/90/59/1069519059.db2.gz YPEHUEJJTIFUPK-KRWDZBQOSA-N 0 0 382.685 3.732 20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc4c(c3)CCN4)cc2F)C[C@H](C)O1 ZINC000841277411 1028365360 /nfs/dbraw/zinc/36/53/60/1028365360.db2.gz BTSUHGPYMQXANU-GJZGRUSLSA-N 0 0 398.482 3.729 20 10 GHCDRN CCN1CC[C@@H](NC(=O)Nc2ccc(N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000841297091 1028388039 /nfs/dbraw/zinc/38/80/39/1028388039.db2.gz NDBDJIVMCBBPQA-SJLPKXTDSA-N 0 0 378.398 3.643 20 10 GHCDRN Cc1cc(NC(=O)[C@H](C)OC(=O)c2cc(C)n(-c3ccccc3C)c2C)on1 ZINC000841305049 1028398274 /nfs/dbraw/zinc/39/82/74/1028398274.db2.gz FLRUNRNAOIVNIQ-INIZCTEOSA-N 0 0 381.432 3.883 20 10 GHCDRN COc1ccc2onc(CC(=O)N[C@H](C)Cc3ccc(N(C)C)cc3C)c2c1 ZINC000841346463 1028464693 /nfs/dbraw/zinc/46/46/93/1028464693.db2.gz BGJLRQYUSBBNSC-OAHLLOKOSA-N 0 0 381.476 3.501 20 10 GHCDRN Nc1ccc2c(c1Nc1c(F)cc(CO)cc1F)C(=O)c1ccccc1C2=O ZINC001214101227 1028546968 /nfs/dbraw/zinc/54/69/68/1028546968.db2.gz BVJDSCDKZLLFFC-UHFFFAOYSA-N 0 0 380.350 3.558 20 10 GHCDRN C[C@H]1CCCc2nc(S(=O)(=O)N(Cc3ccccc3O)C3CCCC3)cn21 ZINC000841493361 1028694266 /nfs/dbraw/zinc/69/42/66/1028694266.db2.gz LMUHOGCKSFQMGG-HNNXBMFYSA-N 0 0 389.521 3.620 20 10 GHCDRN Cc1ncccc1OC[C@@H]1CCCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000841583303 1028746211 /nfs/dbraw/zinc/74/62/11/1028746211.db2.gz SYHMCFYVNKXZFF-UZLBHIALSA-N 0 0 382.508 3.770 20 10 GHCDRN O=C(NCc1c(O)cccc1F)Nc1ccc(N2CCc3sccc3C2)nc1 ZINC001214609683 1028817384 /nfs/dbraw/zinc/81/73/84/1028817384.db2.gz CXTIRKIZBLPNKF-UHFFFAOYSA-N 0 0 398.463 3.872 20 10 GHCDRN C[C@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1ccc(Cl)cc1[O-] ZINC000841744264 1028906321 /nfs/dbraw/zinc/90/63/21/1028906321.db2.gz GPIWBTZLLORGNH-HNNXBMFYSA-N 0 0 387.911 3.799 20 10 GHCDRN COC(=O)[C@H](C)c1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000841770781 1028930360 /nfs/dbraw/zinc/93/03/60/1028930360.db2.gz KDBAWGWVENXNRO-CQSZACIVSA-N 0 0 382.460 3.869 20 10 GHCDRN COc1ccc(CNC(=O)NCCc2ccc(N)cc2)cc1OC1CCCC1 ZINC000841785986 1028935884 /nfs/dbraw/zinc/93/58/84/1028935884.db2.gz ATHANOFPNYSKDK-UHFFFAOYSA-N 0 0 383.492 3.641 20 10 GHCDRN O=C([O-])[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000841795188 1028942192 /nfs/dbraw/zinc/94/21/92/1028942192.db2.gz IBIIDGDSJXFBJF-IBGZPJMESA-N 0 0 387.411 3.640 20 10 GHCDRN NC(=O)c1c(F)cc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1F ZINC001214917472 1028965264 /nfs/dbraw/zinc/96/52/64/1028965264.db2.gz CNELVFWJHVYCRH-UHFFFAOYSA-N 0 0 378.334 3.583 20 10 GHCDRN C[C@@H](C(=O)[O-])[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Br)cc1 ZINC000841816950 1028965412 /nfs/dbraw/zinc/96/54/12/1028965412.db2.gz YLDMJBJLYUUVIX-XIKOKIGWSA-N 0 0 390.277 3.936 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3ccc(OC4CCCC4)nc3)C2)cc1 ZINC001215059443 1029018267 /nfs/dbraw/zinc/01/82/67/1029018267.db2.gz SIPOJVORYCNVQE-KRWDZBQOSA-N 0 0 396.491 3.812 20 10 GHCDRN CS(=O)(=O)c1cccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000842213471 1029153901 /nfs/dbraw/zinc/15/39/01/1029153901.db2.gz IWECWOCFODCNOA-UHFFFAOYSA-N 0 0 389.477 3.601 20 10 GHCDRN CON(C)C(=O)c1cc(F)cc(Nc2ccccc2C(=O)c2ccncc2)c1 ZINC001215593746 1029299096 /nfs/dbraw/zinc/29/90/96/1029299096.db2.gz CEKBBPTXSQUNKU-UHFFFAOYSA-N 0 0 379.391 3.829 20 10 GHCDRN CCc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1O ZINC001142713629 1029314377 /nfs/dbraw/zinc/31/43/77/1029314377.db2.gz XIAFNQGAMVCASK-FQEVSTJZSA-N 0 0 382.504 3.842 20 10 GHCDRN CNC(=O)c1ccc(Nc2ccc(C(=O)Oc3ccc(N)cc3)cc2)c(OC)c1 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GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(S(=O)(=O)c2cccc(C)c2C)C1 ZINC001260995111 1045808957 /nfs/dbraw/zinc/80/89/57/1045808957.db2.gz YXCUXDHSNMPMSJ-UHFFFAOYSA-N 0 0 384.501 3.551 20 10 GHCDRN Cc1nc2cc(Cl)c(NS(=O)(=O)c3ccc(Cl)c4nonc43)cc2o1 ZINC001261073182 1045888292 /nfs/dbraw/zinc/88/82/92/1045888292.db2.gz QEMAQACJGNVICN-UHFFFAOYSA-N 0 0 399.215 3.780 20 10 GHCDRN CC[C@@H](C)CONC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C ZINC001298607375 1045891476 /nfs/dbraw/zinc/89/14/76/1045891476.db2.gz VMUGDAIKOVDHHZ-LLVKDONJSA-N 0 0 380.286 3.959 20 10 GHCDRN Cc1ccc(C)n1-c1nc(CC(=O)Nc2c3nonc3ccc2Cl)cs1 ZINC001261140514 1045908222 /nfs/dbraw/zinc/90/82/22/1045908222.db2.gz VMHLYVWZZJAEOK-UHFFFAOYSA-N 0 0 387.852 3.921 20 10 GHCDRN O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)N1Cc2cccc(O)c2C1 ZINC001261941926 1046139085 /nfs/dbraw/zinc/13/90/85/1046139085.db2.gz IJGSFVGBORWCIC-FQEVSTJZSA-N 0 0 388.471 3.740 20 10 GHCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2coc3ccccc32)cc1F ZINC001463067369 1070769309 /nfs/dbraw/zinc/76/93/09/1070769309.db2.gz NCYLVIIYJSUERP-UHFFFAOYSA-N 0 0 376.453 3.897 20 10 GHCDRN CCOC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c1C ZINC001264286862 1047297502 /nfs/dbraw/zinc/29/75/02/1047297502.db2.gz ARFDKZPPOVRIQG-UHFFFAOYSA-N 0 0 383.492 3.681 20 10 GHCDRN CNC(=O)Cc1ccc(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)cc1 ZINC001264388378 1047337975 /nfs/dbraw/zinc/33/79/75/1047337975.db2.gz UDDIGLQHENTPDR-UHFFFAOYSA-N 0 0 375.472 3.564 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3cc(F)c4ncccc4c3)CC2)cc1 ZINC001264733252 1047421454 /nfs/dbraw/zinc/42/14/54/1047421454.db2.gz SWJCAMZJKQBODX-UHFFFAOYSA-N 0 0 379.435 3.735 20 10 GHCDRN COc1cccc(C[C@@H](C)CC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC001264822655 1047465884 /nfs/dbraw/zinc/46/58/84/1047465884.db2.gz ZYRVWDLOCRMQGR-RTBURBONSA-N 0 0 396.531 3.978 20 10 GHCDRN CN(C)c1ccc(CNC(=O)Cc2ccccc2C(=O)OC(C)(C)C)cc1F ZINC001264827310 1047467638 /nfs/dbraw/zinc/46/76/38/1047467638.db2.gz WFUKYZHNHWSPMU-UHFFFAOYSA-N 0 0 386.467 3.706 20 10 GHCDRN CC(C)[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[C@H](C)NC(=O)OC(C)(C)C ZINC001264826959 1047467870 /nfs/dbraw/zinc/46/78/70/1047467870.db2.gz JAKWZUNBCQDZOP-KBXCAEBGSA-N 0 0 395.519 3.693 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)NC(C)(C)C)c(C)n1-c1ccccc1C ZINC001303909839 1047532675 /nfs/dbraw/zinc/53/26/75/1047532675.db2.gz QGIPHJMJLSIROA-FQEVSTJZSA-N 0 0 381.520 3.922 20 10 GHCDRN Cc1nc(-c2ncccn2)sc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001304089916 1047584460 /nfs/dbraw/zinc/58/44/60/1047584460.db2.gz QVIICTKFNJWWSK-UHFFFAOYSA-N 0 0 376.441 3.697 20 10 GHCDRN Cc1cc(C(=O)N2CCOC[C@H]2C[C@@H]2CCOC2)c(C)n1-c1cccc(C)c1 ZINC001304200713 1047612317 /nfs/dbraw/zinc/61/23/17/1047612317.db2.gz ORPAZXPFVUDQGD-PZJWPPBQSA-N 0 0 382.504 3.670 20 10 GHCDRN Cc1nnc(N2CCc3ccc(Cl)nc3C2)n1Cc1ccc(N(C)C)cc1C ZINC001304238276 1047622834 /nfs/dbraw/zinc/62/28/34/1047622834.db2.gz OLMPBQWJMNCELN-UHFFFAOYSA-N 0 0 396.926 3.620 20 10 GHCDRN CCn1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C ZINC001265567348 1047632577 /nfs/dbraw/zinc/63/25/77/1047632577.db2.gz RLJYXZVNWNTJIK-HNNXBMFYSA-N 0 0 377.435 3.817 20 10 GHCDRN O=C(Nc1ccc([S@](=O)C(F)(F)F)cc1)c1ccc(C2=S=CC=C2)o1 ZINC001265664678 1047647351 /nfs/dbraw/zinc/64/73/51/1047647351.db2.gz PSILTWKWTKXDOL-VWLOTQADSA-N 0 0 385.388 3.785 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@@H](CO)C(F)(F)F)cc1 ZINC001304532811 1047703414 /nfs/dbraw/zinc/70/34/14/1047703414.db2.gz ANSANFUYZHSDBL-INIZCTEOSA-N 0 0 380.370 3.821 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)Nc2nnn(C)c2C(F)F)ccc1C ZINC001304608800 1047730349 /nfs/dbraw/zinc/73/03/49/1047730349.db2.gz IAMMZPOWZQOOJE-UHFFFAOYSA-N 0 0 387.390 3.533 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC1CC2(C1)COC(C)(C)C2 ZINC001304637745 1047737086 /nfs/dbraw/zinc/73/70/86/1047737086.db2.gz AHSUDUNLQWCYMT-UHFFFAOYSA-N 0 0 380.488 3.984 20 10 GHCDRN Cc1nc(Cc2nnc(N(C)Cc3ccccc3O)n2C[C@H]2C[C@@H]2C)cs1 ZINC001304654636 1047741288 /nfs/dbraw/zinc/74/12/88/1047741288.db2.gz NKJOREMLNWHIBP-XJKSGUPXSA-N 0 0 383.521 3.632 20 10 GHCDRN Cc1ncsc1CN1CCC12CN(Cc1cccc(C(F)(F)F)c1O)C2 ZINC001279505585 1047827721 /nfs/dbraw/zinc/82/77/21/1047827721.db2.gz QPMRZSGCJCCBNE-UHFFFAOYSA-N 0 0 383.439 3.636 20 10 GHCDRN O=C(NCC(F)F)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001279972851 1048020855 /nfs/dbraw/zinc/02/08/55/1048020855.db2.gz VMVOMPLDRTXXIZ-KEODLESXSA-N 0 0 393.261 3.538 20 10 GHCDRN CC[C@H](C)c1nnc(N2CCCOCC2)n1Cc1ccc(N(CC)CC)cc1 ZINC001305505653 1048097231 /nfs/dbraw/zinc/09/72/31/1048097231.db2.gz KHIYOIOTJAFRNG-SFHVURJKSA-N 0 0 385.556 3.913 20 10 GHCDRN COC(=O)/C=C\c1ccc(N2CCCc3cc(OC)ccc3C2)c([N+](=O)[O-])c1 ZINC000728567573 1048242608 /nfs/dbraw/zinc/24/26/08/1048242608.db2.gz VKBHDHLFVYBTGJ-POHAHGRESA-N 0 0 382.416 3.742 20 10 GHCDRN COC(=O)/C=C/c1ccc(N2CCCc3cc(OC)ccc3C2)c([N+](=O)[O-])c1 ZINC000728567576 1048242896 /nfs/dbraw/zinc/24/28/96/1048242896.db2.gz VKBHDHLFVYBTGJ-UXBLZVDNSA-N 0 0 382.416 3.742 20 10 GHCDRN CCc1cc(N[C@H](C)c2cc(OC)ccc2O)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000728909970 1048243979 /nfs/dbraw/zinc/24/39/79/1048243979.db2.gz SXWUDBNUQJRERP-CYBMUJFWSA-N 0 0 394.431 3.923 20 10 GHCDRN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCCc2cccnc21 ZINC001306080625 1048398420 /nfs/dbraw/zinc/39/84/20/1048398420.db2.gz OMVNWSCADHSVDV-GOSISDBHSA-N 0 0 377.492 3.698 20 10 GHCDRN CC(C)c1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1C[C@H]1CCCO1 ZINC001287179987 1048627628 /nfs/dbraw/zinc/62/76/28/1048627628.db2.gz SIRDNMABJZZUIE-HXUWFJFHSA-N 0 0 383.540 3.817 20 10 GHCDRN CC[C@H]1CN(c2nnc(CC(C)C)n2Cc2ccc(N(CC)CC)cc2)CCO1 ZINC001306441399 1048667880 /nfs/dbraw/zinc/66/78/80/1048667880.db2.gz RRWBEXGUHCMGOV-NRFANRHFSA-N 0 0 399.583 3.986 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1F ZINC000731345844 1048771817 /nfs/dbraw/zinc/77/18/17/1048771817.db2.gz LJCJTHAAYICBHX-UHFFFAOYSA-N 0 0 384.411 3.991 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3csc4ccccc34)CC2)c(OC)c1 ZINC001287478811 1048788556 /nfs/dbraw/zinc/78/85/56/1048788556.db2.gz WQJXKJSCZLRPOL-UHFFFAOYSA-N 0 0 382.485 3.881 20 10 GHCDRN Cc1cc(CNC(=O)c2ccc(-n3ccnn3)cc2)c(C)n1-c1cccc(C)c1 ZINC001287659812 1048866548 /nfs/dbraw/zinc/86/65/48/1048866548.db2.gz FFUDJVXLDSIHIV-UHFFFAOYSA-N 0 0 385.471 3.913 20 10 GHCDRN Cc1cc(Cn2cc(I)cn2)ccc1N1CCCCC1 ZINC001307307186 1049193443 /nfs/dbraw/zinc/19/34/43/1049193443.db2.gz PSCMVGOGDBERIH-UHFFFAOYSA-N 0 0 381.261 3.835 20 10 GHCDRN C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC001307590209 1049429157 /nfs/dbraw/zinc/42/91/57/1049429157.db2.gz SPYHPICZRYAVAG-OWCLPIDISA-N 0 0 390.483 3.767 20 10 GHCDRN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCOc2cc(N(C)C)ccc21 ZINC001307648474 1049475520 /nfs/dbraw/zinc/47/55/20/1049475520.db2.gz OSTQVZFGAHAIAG-HNNXBMFYSA-N 0 0 387.911 3.824 20 10 GHCDRN Cc1cc(N(C)C)ccc1Cn1c(C2CCC2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001289423255 1049479547 /nfs/dbraw/zinc/47/95/47/1049479547.db2.gz IHOSEHSUIGCPTM-KRWDZBQOSA-N 0 0 397.567 3.972 20 10 GHCDRN Cc1ccc(-c2nnc(N(C)Cc3ccccc3O)n2CCc2cccnc2)o1 ZINC001289538121 1049530393 /nfs/dbraw/zinc/53/03/93/1049530393.db2.gz DADFWVIQBUUOFX-UHFFFAOYSA-N 0 0 389.459 3.826 20 10 GHCDRN CC(C)C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C ZINC001290253238 1049779644 /nfs/dbraw/zinc/77/96/44/1049779644.db2.gz RWZVXVZJCMBVQB-SFHVURJKSA-N 0 0 377.529 3.650 20 10 GHCDRN CN(C)c1ccc(/C=C\CNc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 ZINC001308315314 1049946875 /nfs/dbraw/zinc/94/68/75/1049946875.db2.gz RROLJXVQOLNJEW-PLNGDYQASA-N 0 0 379.913 3.903 20 10 GHCDRN [O-]c1cc(F)c(F)cc1C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC001308723882 1050072343 /nfs/dbraw/zinc/07/23/43/1050072343.db2.gz JNCCGTGNRNWRSX-UHFFFAOYSA-N 0 0 394.219 3.908 20 10 GHCDRN CCOC(=O)C(CC)(CC)C[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC001308890252 1050142048 /nfs/dbraw/zinc/14/20/48/1050142048.db2.gz ATHRPCRCULLIDL-UHFFFAOYSA-N 0 0 376.266 3.753 20 10 GHCDRN Cc1cc(C(=O)COC(=O)C=Cc2ccncn2)c(C)n1-c1ccc(C)cc1 ZINC000754925844 1050160870 /nfs/dbraw/zinc/16/08/70/1050160870.db2.gz QXJCEUDUTKPJJW-TWGQIWQCSA-N 0 0 375.428 3.632 20 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ZINC001328718326 1050604571 /nfs/dbraw/zinc/60/45/71/1050604571.db2.gz ZZJNOSFJLNNBDP-HNNXBMFYSA-N 0 0 378.476 3.748 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3ccc(Cn4cccc4)cc3)C2)cc1 ZINC001328758912 1050627817 /nfs/dbraw/zinc/62/78/17/1050627817.db2.gz VKQBLIKBTIFBIB-FQEVSTJZSA-N 0 0 375.472 3.554 20 10 GHCDRN C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1ccc(N(C)C)cc1 ZINC001309417652 1050701692 /nfs/dbraw/zinc/70/16/92/1050701692.db2.gz SRSYUQJUHOLKBO-LLVKDONJSA-N 0 0 390.402 3.950 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1C(=O)NCc1ccc2cccnc2c1O ZINC001329032816 1050702135 /nfs/dbraw/zinc/70/21/35/1050702135.db2.gz SINIPVKKRZYFBA-IRXDYDNUSA-N 0 0 399.491 3.640 20 10 GHCDRN O=C(CCc1nc(-c2ccsc2)no1)Nc1c2nonc2ccc1Cl ZINC001329520770 1050826800 /nfs/dbraw/zinc/82/68/00/1050826800.db2.gz XPPBCOBANRPCDR-UHFFFAOYSA-N 0 0 375.797 3.559 20 10 GHCDRN COc1cc(NCc2ccc(N3CCN(C)CC3)c(F)c2)ccc1OC(F)F ZINC001329564517 1050843959 /nfs/dbraw/zinc/84/39/59/1050843959.db2.gz JEQOPXALGKCCDJ-UHFFFAOYSA-N 0 0 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CCN(CC)c1ccc(CNC(=O)[C@H]2COc3ccc(OC)cc3C2)cc1F ZINC000731346053 861580357 /nfs/dbraw/zinc/58/03/57/861580357.db2.gz QHHOHRPXIVRPGB-QGZVFWFLSA-N 0 0 386.467 3.548 20 10 GHCDRN Cc1c(NC(=O)N2CCOc3cc(N(C)C)ccc32)noc1-c1ccccc1F ZINC000433912189 845574283 /nfs/dbraw/zinc/57/42/83/845574283.db2.gz MMMBLTGBRYLBQV-UHFFFAOYSA-N 0 0 396.422 3.708 20 10 GHCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(SC)cc2)cc1F ZINC000731356384 861585585 /nfs/dbraw/zinc/58/55/85/861585585.db2.gz FHSCTNOCHANDJM-UHFFFAOYSA-N 0 0 382.526 3.872 20 10 GHCDRN Cc1nn(Cc2ccccc2)c(C)c1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000028313045 845612813 /nfs/dbraw/zinc/61/28/13/845612813.db2.gz IXOYZXYTZLJNPZ-UHFFFAOYSA-N 0 0 376.504 3.886 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000472057672 845630763 /nfs/dbraw/zinc/63/07/63/845630763.db2.gz ANSSTBFKHPAJIZ-MRXNPFEDSA-N 0 0 388.475 3.628 20 10 GHCDRN CC(C)(C)[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2O)CCO1 ZINC000277319758 845702361 /nfs/dbraw/zinc/70/23/61/845702361.db2.gz DJROHTXBXHVZEP-JSGCOSHPSA-N 0 0 385.302 3.548 20 10 GHCDRN Cc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1F ZINC000128566291 861667583 /nfs/dbraw/zinc/66/75/83/861667583.db2.gz ALOAVTAIMVMNEG-UHFFFAOYSA-N 0 0 383.467 3.722 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)NCCc3c[nH]c4ncccc34)ccc21 ZINC000500995125 846543148 /nfs/dbraw/zinc/54/31/48/846543148.db2.gz VFXCWPJDZFNBRB-UHFFFAOYSA-N 0 0 390.487 3.753 20 10 GHCDRN O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1nccn1CC(F)(F)F ZINC000502858054 846553867 /nfs/dbraw/zinc/55/38/67/846553867.db2.gz RFTZNMYBJDXPOD-YFHOEESVSA-N 0 0 380.757 3.753 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCN(C3CCCCC3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC001167555234 846636917 /nfs/dbraw/zinc/63/69/17/846636917.db2.gz UKSFDNRRFPZONC-NRFANRHFSA-N 0 0 397.494 3.897 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H]1CSCCN1Cc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000760016230 846646855 /nfs/dbraw/zinc/64/68/55/846646855.db2.gz IRLLCLPHUVRYLS-RHSMWYFYSA-N 0 0 378.488 3.939 20 10 GHCDRN 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COc1ccc(N2CCC(NC(=O)Nc3ccc(F)c(F)c3F)CC2)cc1 ZINC000102522859 873251065 /nfs/dbraw/zinc/25/10/65/873251065.db2.gz PDZWTBWMVWDESV-UHFFFAOYSA-N 0 0 379.382 3.903 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)Nc3ccc4nc(C)oc4c3)CC2)cc1 ZINC000102527334 873251959 /nfs/dbraw/zinc/25/19/59/873251959.db2.gz IOLRSFTWBQMNBI-UHFFFAOYSA-N 0 0 380.448 3.935 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccc(CN2CCCCC2=O)c1 ZINC000115765482 882705331 /nfs/dbraw/zinc/70/53/31/882705331.db2.gz FPOPYNXTUKHWBB-UHFFFAOYSA-N 0 0 394.519 3.895 20 10 GHCDRN O=C(c1cc2ccccc2[nH]1)N1CCN(Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768443108 873307005 /nfs/dbraw/zinc/30/70/05/873307005.db2.gz AUAKUAMSEMEWCM-UHFFFAOYSA-N 0 0 389.499 3.710 20 10 GHCDRN Cc1cc(CC(=O)N(C)[C@@H](C)C[S@@](C)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000768447742 873309491 /nfs/dbraw/zinc/30/94/91/873309491.db2.gz NSCGQARUFJTDHU-HWRSSNJWSA-N 0 0 380.941 3.515 20 10 GHCDRN Oc1cc2c(cc1CN1CCO[C@H](c3ccc(Cl)c(Cl)c3)C1)[C@H](O)CO2 ZINC000768452745 873313304 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CC[C@H](CCO)NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000768858598 873597438 /nfs/dbraw/zinc/59/74/38/873597438.db2.gz IGSWUUPQRTXYMP-OAHLLOKOSA-N 0 0 379.298 3.747 20 10 GHCDRN CN(C)C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(Cl)c(Cl)c1 ZINC000527813314 873599599 /nfs/dbraw/zinc/59/95/99/873599599.db2.gz ZOXSPFPCHGPEJU-OAHLLOKOSA-N 0 0 383.275 3.820 20 10 GHCDRN COc1cc(CNS(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)ccn1 ZINC001197186564 873620697 /nfs/dbraw/zinc/62/06/97/873620697.db2.gz TUUDKKGNNOGZKU-GHVJWSGMSA-N 0 0 382.445 3.984 20 10 GHCDRN CCOc1ccc(O)c(CN2CCN(Cc3csc(C(C)(C)C)n3)CC2)c1 ZINC000768869288 873632168 /nfs/dbraw/zinc/63/21/68/873632168.db2.gz SZNAPHDWXLNPDX-UHFFFAOYSA-N 0 0 389.565 3.863 20 10 GHCDRN O=S(=O)(c1ccc(/N=N/c2ccccc2)cc1)N1CCN2CCCC[C@@H]2C1 ZINC001197174289 873637881 /nfs/dbraw/zinc/63/78/81/873637881.db2.gz NTRMYNDQKHFXOT-XKXPVHLMSA-N 0 0 384.505 3.961 20 10 GHCDRN CC(=O)N(Cc1ccc(NC(=O)NCc2ccc(N(C)C)cc2C)cc1)C1CC1 ZINC000151563563 873671881 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Cc1nn(C)c2nc(C)c(C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)cc12 ZINC000914608773 884322806 /nfs/dbraw/zinc/32/28/06/884322806.db2.gz UYAZZGJOZGEKTA-UHFFFAOYSA-N 0 0 379.508 3.702 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@H](c3nncn3C)C2)c(C)n1-c1ccccc1C ZINC000193075670 884324896 /nfs/dbraw/zinc/32/48/96/884324896.db2.gz SLLFRLKVNHWOKX-SFHVURJKSA-N 0 0 377.492 3.551 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@@H](c3nncn3C)C2)c(C)n1-c1cccc(C)c1 ZINC000193081891 884326010 /nfs/dbraw/zinc/32/60/10/884326010.db2.gz IKGBLRFRYXJBNB-GOSISDBHSA-N 0 0 377.492 3.551 20 10 GHCDRN CCOc1ccccc1NC(=O)COC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000914613569 884349831 /nfs/dbraw/zinc/34/98/31/884349831.db2.gz HKTYMAHJCSYYGM-UHFFFAOYSA-N 0 0 393.443 3.683 20 10 GHCDRN CC(=O)N[C@@H](C)C(=O)OCC(=O)c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C ZINC000918793598 884382636 /nfs/dbraw/zinc/38/26/36/884382636.db2.gz FFPXCUOQECGKHN-HNNXBMFYSA-N 0 0 398.503 3.642 20 10 GHCDRN CC[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000806166835 884420872 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O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(CSc2nc[nH]n2)cc1 ZINC000193196270 884719848 /nfs/dbraw/zinc/71/98/48/884719848.db2.gz OJLAGWLDPHKZPD-UHFFFAOYSA-N 0 0 393.516 3.627 20 10 GHCDRN CCOC(=O)[C@@](C)(NCc1ccc(Br)cc1O)c1ccccc1 ZINC001183885759 912871989 /nfs/dbraw/zinc/87/19/89/912871989.db2.gz OIOSXQGZPKKKID-SFHVURJKSA-N 0 0 378.266 3.723 20 10 GHCDRN CCCOc1cccc(CC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000153378750 884873661 /nfs/dbraw/zinc/87/36/61/884873661.db2.gz AOHNUTSVKORMLD-SFHVURJKSA-N 0 0 382.504 3.732 20 10 GHCDRN COc1ccc2cc(CN(C)c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)ccc2c1 ZINC000761869796 884891750 /nfs/dbraw/zinc/89/17/50/884891750.db2.gz CNPVIGVFNIAAIY-UHFFFAOYSA-N 0 0 393.399 3.724 20 10 GHCDRN COCc1nc(SCC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)n[nH]1 ZINC000761877079 884910922 /nfs/dbraw/zinc/91/09/22/884910922.db2.gz UBRYHNGMJIEUHU-UHFFFAOYSA-N 0 0 388.468 3.781 20 10 GHCDRN CON(CC(C)(C)C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000806684669 884913711 /nfs/dbraw/zinc/91/37/11/884913711.db2.gz 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GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Cl)cc(C)c1OC ZINC000861819772 885890907 /nfs/dbraw/zinc/89/09/07/885890907.db2.gz PMBKHBWXGULONC-UHFFFAOYSA-N 0 0 390.867 3.740 20 10 GHCDRN C[C@H]1SCCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)[C@@H]1C ZINC000118575053 885901268 /nfs/dbraw/zinc/90/12/68/885901268.db2.gz ZTEMZUQLONFFOK-ZIAGYGMSSA-N 0 0 399.507 3.792 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N3CCc4ccccc4[C@H]3CO)cc2)CC1 ZINC000762289130 885960595 /nfs/dbraw/zinc/96/05/95/885960595.db2.gz BKYPUOKDORCYJX-HSZRJFAPSA-N 0 0 393.531 3.724 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(-c2nc([C@@H]3CC(=O)N(CC4CC4)C3)no2)cc1 ZINC000762290511 885962694 /nfs/dbraw/zinc/96/26/94/885962694.db2.gz SFFXXDULKJRUDB-GOSISDBHSA-N 0 0 376.460 3.870 20 10 GHCDRN Cc1cc(C(=O)N2CCN(Cc3ccccn3)CC2)c(C)n1-c1ccccc1C ZINC000762307678 885979088 /nfs/dbraw/zinc/97/90/88/885979088.db2.gz KPBDLXATKXZXNQ-UHFFFAOYSA-N 0 0 388.515 3.756 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1Cl ZINC000808094427 886012091 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/nfs/dbraw/zinc/49/24/33/892492433.db2.gz WXWGPZYMRLTOAE-QFIPXVFZSA-N 0 0 393.531 3.785 20 10 GHCDRN C[C@@H](NC(=O)c1ccc(OC(C)(C)C)cn1)c1ccc(N2CCOCC2)cc1 ZINC000814311485 892509784 /nfs/dbraw/zinc/50/97/84/892509784.db2.gz DSTAHHOATAKFKK-MRXNPFEDSA-N 0 0 383.492 3.587 20 10 GHCDRN CO[C@H](C)c1noc(CN(C)C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)n1 ZINC000747933187 892539220 /nfs/dbraw/zinc/53/92/20/892539220.db2.gz KSRSAKGKUXEEQH-MRXNPFEDSA-N 0 0 382.464 3.765 20 10 GHCDRN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)N[C@@H](C)c3ccccc3O)ccc2NC1=O ZINC000875331959 892551899 /nfs/dbraw/zinc/55/18/99/892551899.db2.gz NLUNTSQFFRNLGX-VBHSOAQHSA-N 0 0 383.448 3.623 20 10 GHCDRN CCOc1cccc(CNC(=O)N2Cc3cccc(O)c3C2)c1OC(F)F ZINC000875366958 892573297 /nfs/dbraw/zinc/57/32/97/892573297.db2.gz OTNTXOFYPIZPLI-UHFFFAOYSA-N 0 0 378.375 3.618 20 10 GHCDRN CCc1ccc(-c2noc([C@@H](C)NC(=O)N3Cc4cccc(O)c4C3)n2)cc1 ZINC000875380783 892582278 /nfs/dbraw/zinc/58/22/78/892582278.db2.gz KKDHVTWEKVPMRR-CYBMUJFWSA-N 0 0 378.432 3.791 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000814362939 892599051 /nfs/dbraw/zinc/59/90/51/892599051.db2.gz GTNJBEAXDRFNRO-IBGZPJMESA-N 0 0 399.922 3.876 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)CCc3nc4ccccc4o3)CC2)cc1 ZINC000917821606 892615448 /nfs/dbraw/zinc/61/54/48/892615448.db2.gz AGOBIZXMINFKFZ-UHFFFAOYSA-N 0 0 379.460 3.508 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)Cc3cn(C)nc3Cl)cc2Cl)C1 ZINC000814415817 892640777 /nfs/dbraw/zinc/64/07/77/892640777.db2.gz CLRPMXHCLWRCDA-CYBMUJFWSA-N 0 0 395.334 3.822 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H](c1ccccc1)C1CC1 ZINC000814420109 892700906 /nfs/dbraw/zinc/70/09/06/892700906.db2.gz MDVLKISLZLHWGX-QHCPKHFHSA-N 0 0 393.531 3.858 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)[C@H]2CCCN(c3ccccc3)C2=O)C2CC2)cc1 ZINC000814459249 892717804 /nfs/dbraw/zinc/71/78/04/892717804.db2.gz KIAVYLUBVYUKRA-QFIPXVFZSA-N 0 0 391.515 3.687 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC[C@H]1CCCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875645220 892735764 /nfs/dbraw/zinc/73/57/64/892735764.db2.gz UABOPCYSXLUOEI-MRXNPFEDSA-N 0 0 389.496 3.597 20 10 GHCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2ccccc2Br)cc1 ZINC000917916993 892816365 /nfs/dbraw/zinc/81/63/65/892816365.db2.gz UVVFVBGQXVQSEO-UHFFFAOYSA-N 0 0 397.338 3.774 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccc(C2(C)OCCO2)cc1 ZINC000875950687 892884456 /nfs/dbraw/zinc/88/44/56/892884456.db2.gz OJPQYFSUSISFAX-UHFFFAOYSA-N 0 0 384.476 3.734 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC2(NC(=O)OC(C)(C)C)CC2)cc1 ZINC001134455860 892889298 /nfs/dbraw/zinc/88/92/98/892889298.db2.gz MIJLIPOKYFHPAE-UHFFFAOYSA-N 0 0 383.492 3.881 20 10 GHCDRN C[C@@H]1COCCCN1Cc1cc(Br)cc(Br)c1[O-] ZINC000775706370 892913598 /nfs/dbraw/zinc/91/35/98/892913598.db2.gz PLGQZWONWZVVOT-SECBINFHSA-N 0 0 379.092 3.528 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(F)ccc1OC(C)C ZINC000125745067 892944222 /nfs/dbraw/zinc/94/42/22/892944222.db2.gz PXWIZBWAXABKQK-UHFFFAOYSA-N 0 0 388.439 3.696 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1c(C)noc1-c1ccccc1 ZINC000125751665 892945964 /nfs/dbraw/zinc/94/59/64/892945964.db2.gz DKWPSSUNJSQNKT-UHFFFAOYSA-N 0 0 393.443 3.733 20 10 GHCDRN COc1cc(N(C)CC(=O)N2c3ccccc3CC[C@@H]2C)cc(OC)c1OC ZINC000125760235 892953122 /nfs/dbraw/zinc/95/31/22/892953122.db2.gz NNTADFGYMRVLPA-HNNXBMFYSA-N 0 0 384.476 3.517 20 10 GHCDRN O=C(NCc1noc2ccc(F)cc21)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000876105231 892969258 /nfs/dbraw/zinc/96/92/58/892969258.db2.gz OSQGYGUOIOYMCU-MRXNPFEDSA-N 0 0 399.422 3.563 20 10 GHCDRN COc1cc(N(C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000125782933 892985155 /nfs/dbraw/zinc/98/51/55/892985155.db2.gz HDUZVTWWAXFJAK-ZDUSSCGKSA-N 0 0 392.883 3.679 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]([C@H]3CCOC3)C2)cc1F ZINC000747964507 893009770 /nfs/dbraw/zinc/00/97/70/893009770.db2.gz SQVVDZVVYBHJLT-ROUUACIJSA-N 0 0 377.504 3.630 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000125853882 893055834 /nfs/dbraw/zinc/05/58/34/893055834.db2.gz WKDSVSNKERKKHW-UHFFFAOYSA-N 0 0 398.356 3.927 20 10 GHCDRN CCc1cc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)cc(=O)[nH]1 ZINC000778177699 893068413 /nfs/dbraw/zinc/06/84/13/893068413.db2.gz YVOOMSZHDJOTKL-UHFFFAOYSA-N 0 0 396.418 3.936 20 10 GHCDRN C[C@@H](NC(=O)N[C@@](C)(C1CC1)C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000933593527 893092030 /nfs/dbraw/zinc/09/20/30/893092030.db2.gz QPCUECUJAUEXKR-ACJLOTCBSA-N 0 0 385.430 3.614 20 10 GHCDRN Cc1cnccc1SCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000814804938 893215979 /nfs/dbraw/zinc/21/59/79/893215979.db2.gz LEMHFPQQMWJJIG-UHFFFAOYSA-N 0 0 388.448 3.896 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCCC[C@@H]3C)cc2F)C[C@H](C)O1 ZINC000918155050 893281912 /nfs/dbraw/zinc/28/19/12/893281912.db2.gz MGPLOKGCYWSCMA-YIOZNXECSA-N 0 0 377.504 3.817 20 10 GHCDRN CCOc1ccc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)nc1C ZINC000825892210 893292779 /nfs/dbraw/zinc/29/27/79/893292779.db2.gz BAHXPMRBOYKMNL-UHFFFAOYSA-N 0 0 384.480 3.542 20 10 GHCDRN O=C(NCc1csc2ccccc12)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000918213125 893365545 /nfs/dbraw/zinc/36/55/45/893365545.db2.gz ZKSIUUCKUBUCML-UHFFFAOYSA-N 0 0 399.491 3.876 20 10 GHCDRN O=S(=O)(NCc1cc2ccccc2cc1O)c1ccc(-c2cnco2)cc1 ZINC001185251510 913760851 /nfs/dbraw/zinc/76/08/51/913760851.db2.gz ZTIUAVGFIPMUCY-UHFFFAOYSA-N 0 0 380.425 3.679 20 10 GHCDRN Cc1cc(CN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)ccc1N(C)C ZINC000815032502 893386373 /nfs/dbraw/zinc/38/63/73/893386373.db2.gz HQUNXCXIVRWPBF-UHFFFAOYSA-N 0 0 376.504 3.500 20 10 GHCDRN FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1cc(C2CC2)no1 ZINC000876941511 893396812 /nfs/dbraw/zinc/39/68/12/893396812.db2.gz MLXUOZSTHKHNMI-UHFFFAOYSA-N 0 0 381.398 3.697 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N[C@H](Cc3ccccc3)C3CC3)CC2)cc1 ZINC000126262411 893409510 /nfs/dbraw/zinc/40/95/10/893409510.db2.gz SHURKNVARHEASZ-HSZRJFAPSA-N 0 0 393.531 3.985 20 10 GHCDRN CN(Cc1nc2c(s1)CCCC2)C(=O)NCCCSc1nccs1 ZINC000154679840 893458240 /nfs/dbraw/zinc/45/82/40/893458240.db2.gz DSRPXANRXUOYBS-UHFFFAOYSA-N 0 0 382.580 3.802 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(Cl)ccc2F)cc1 ZINC000918308690 893468176 /nfs/dbraw/zinc/46/81/76/893468176.db2.gz BMMJZUUPOAEMCK-UHFFFAOYSA-N 0 0 391.874 3.922 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000918310583 893470332 /nfs/dbraw/zinc/47/03/32/893470332.db2.gz PKGYFIIZFULQTH-UHFFFAOYSA-N 0 0 391.874 3.922 20 10 GHCDRN CC(=O)N(c1ccc(NCc2ccc(N3CCOCC3)cc2)cc1)[C@@H]1C[C@H]1C ZINC000815162341 893500041 /nfs/dbraw/zinc/50/00/41/893500041.db2.gz JCPRGKMCAARQHO-UZUQRXQVSA-N 0 0 379.504 3.897 20 10 GHCDRN Cc1cc(NCc2ccc(N3CCC(O)CC3)cc2)ccc1C(=O)NC(C)C ZINC000877170961 893520612 /nfs/dbraw/zinc/52/06/12/893520612.db2.gz YPHNRXIOQXPIPH-UHFFFAOYSA-N 0 0 381.520 3.706 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000918369742 893556041 /nfs/dbraw/zinc/55/60/41/893556041.db2.gz RWDYBRMUYRUBSJ-UHFFFAOYSA-N 0 0 389.839 3.609 20 10 GHCDRN COc1c([O-])c(C[NH+]2CCC(Oc3cc(C)ccc3C)CC2)ccc1[N+](=O)[O-] ZINC000774854709 913781552 /nfs/dbraw/zinc/78/15/52/913781552.db2.gz ZQCHTZJOWZDWOF-UHFFFAOYSA-N 0 0 386.448 3.969 20 10 GHCDRN CCC[C@H]1CCCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000126508221 893590210 /nfs/dbraw/zinc/59/02/10/893590210.db2.gz LMWKPASIMJQBPS-INIZCTEOSA-N 0 0 377.504 3.509 20 10 GHCDRN Cc1ccsc1CCCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000126510014 893592476 /nfs/dbraw/zinc/59/24/76/893592476.db2.gz HZNRLGRXHGZOEI-UHFFFAOYSA-N 0 0 390.524 3.796 20 10 GHCDRN Cc1ccccc1N1C(=O)/C(=C\c2c(Br)cnn2C)SC1=S ZINC000778245392 893643099 /nfs/dbraw/zinc/64/30/99/893643099.db2.gz GRLQHNZTQBCZMQ-NTUHNPAUSA-N 0 0 394.319 3.897 20 10 GHCDRN Cc1ccccc1N1C(=O)/C(=C/c2c(Br)cnn2C)SC1=S ZINC000778245394 893643371 /nfs/dbraw/zinc/64/33/71/893643371.db2.gz GRLQHNZTQBCZMQ-QPEQYQDCSA-N 0 0 394.319 3.897 20 10 GHCDRN CSc1ccccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000918455933 893732382 /nfs/dbraw/zinc/73/23/82/893732382.db2.gz MTCJGMXHVQKIGO-UHFFFAOYSA-N 0 0 383.517 3.604 20 10 GHCDRN Cc1c(Cl)cccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000918457933 893735479 /nfs/dbraw/zinc/73/54/79/893735479.db2.gz YBISSMILKNILCG-UHFFFAOYSA-N 0 0 385.895 3.844 20 10 GHCDRN Cc1cc(C(=O)CN2CC[C@@H](O)[C@@H](C)C2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000778258776 893778295 /nfs/dbraw/zinc/77/82/95/893778295.db2.gz UHEGKZPMSQMVSJ-ORAYPTAESA-N 0 0 394.437 3.998 20 10 GHCDRN CN(C)c1cc(F)c([C@@H]2Nc3ccc(Br)cc3C(=O)N2C)cc1F ZINC000877852573 893854786 /nfs/dbraw/zinc/85/47/86/893854786.db2.gz CSJNORBPBHWHBT-MRXNPFEDSA-N 0 0 396.235 3.990 20 10 GHCDRN CC1(C)N[C@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N(c2ccccc2)C1=O ZINC000877856828 893859226 /nfs/dbraw/zinc/85/92/26/893859226.db2.gz IJRXHLUBLLVESZ-FQEVSTJZSA-N 0 0 394.475 3.999 20 10 GHCDRN C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1-n1cccn1 ZINC000126854615 893961336 /nfs/dbraw/zinc/96/13/36/893961336.db2.gz RONAMLRWJVMRJI-KRWDZBQOSA-N 0 0 377.492 3.841 20 10 GHCDRN COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])c1 ZINC000815556938 893995253 /nfs/dbraw/zinc/99/52/53/893995253.db2.gz IWGFXEHXMDDALJ-BDJLRTHQSA-N 0 0 385.382 3.812 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000815577703 894017301 /nfs/dbraw/zinc/01/73/01/894017301.db2.gz WRCOAYBZKIWDOE-GHMZBOCLSA-N 0 0 391.336 3.780 20 10 GHCDRN Cc1cc(C(=O)CN2CCC(O)(C(F)F)CC2)c(C)n1-c1ccc(F)cc1 ZINC000778306030 894199501 /nfs/dbraw/zinc/19/95/01/894199501.db2.gz UGUQKFICPGOLPT-UHFFFAOYSA-N 0 0 380.410 3.508 20 10 GHCDRN CC(C)(C)OC(=O)N1CCc2c1nccc2C(=O)N1CCc2c1cccc2F ZINC000935405953 894444946 /nfs/dbraw/zinc/44/49/46/894444946.db2.gz WONVSLKEIQLZSS-UHFFFAOYSA-N 0 0 383.423 3.721 20 10 GHCDRN COc1cccc2c1[C@H](C(=O)NCc1cccc(Br)c1O)CC2 ZINC000816496253 894862718 /nfs/dbraw/zinc/86/27/18/894862718.db2.gz CBECKIBDAYUDNC-CYBMUJFWSA-N 0 0 376.250 3.510 20 10 GHCDRN COCCCn1ccc(Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)n1 ZINC001185450032 913912287 /nfs/dbraw/zinc/91/22/87/913912287.db2.gz CFEKOVKGCPNHEY-UHFFFAOYSA-N 0 0 380.404 3.802 20 10 GHCDRN CCN(C(=O)/C=C/c1ccc(Cl)nc1)c1ccccc1S(=O)(=O)CC ZINC000127619113 894940921 /nfs/dbraw/zinc/94/09/21/894940921.db2.gz XOLJULZQSAIWGF-ZRDIBKRKSA-N 0 0 378.881 3.595 20 10 GHCDRN CN1CCO[C@H]([C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])c2ccc(Cl)cc2)C1 ZINC000816559890 894944164 /nfs/dbraw/zinc/94/41/64/894944164.db2.gz YEUACOHJKPYSML-OALUTQOASA-N 0 0 399.293 4.000 20 10 GHCDRN Cc1cc(C(=O)NCc2cnc(C)nc2N)c(C)n1-c1cccc(C(C)C)c1 ZINC000816576510 894953134 /nfs/dbraw/zinc/95/31/34/894953134.db2.gz XOAOXJDJMQKCFZ-UHFFFAOYSA-N 0 0 377.492 3.828 20 10 GHCDRN CC[C@@H](C)NS(=O)(=O)c1cccc(NCc2cc(Cl)c(F)cc2O)c1 ZINC000816606971 894968330 /nfs/dbraw/zinc/96/83/30/894968330.db2.gz AJFWRUAPGZBLMY-LLVKDONJSA-N 0 0 386.876 3.874 20 10 GHCDRN O=C1COC[C@@H](C[C@H]2CN(Cc3ccc4ccccc4c3O)c3ccccc32)N1 ZINC000816612751 894974576 /nfs/dbraw/zinc/97/45/76/894974576.db2.gz XNFOFOCFGKRBLW-RBUKOAKNSA-N 0 0 388.467 3.554 20 10 GHCDRN CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000816822234 895113543 /nfs/dbraw/zinc/11/35/43/895113543.db2.gz DMZOMURLYRRTLR-UHFFFAOYSA-N 0 0 393.487 3.612 20 10 GHCDRN CN1CCc2[nH]c3ccc(C(=O)NCc4c(O)ccc5c4CCCC5)cc3c2C1 ZINC000816938916 895223713 /nfs/dbraw/zinc/22/37/13/895223713.db2.gz NQVVBLWRZNOQSF-UHFFFAOYSA-N 0 0 389.499 3.670 20 10 GHCDRN O=C(C[C@H](c1ncc[nH]1)c1ccccc1)NCc1c(O)ccc2c1CCCC2 ZINC000816938973 895225680 /nfs/dbraw/zinc/22/56/80/895225680.db2.gz PJRPYOYIZXBPFB-IBGZPJMESA-N 0 0 375.472 3.833 20 10 GHCDRN O=C(Nc1cccc2c(=O)[nH]ccc12)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000879800540 895295029 /nfs/dbraw/zinc/29/50/29/895295029.db2.gz RSGGTOTWNJAXHV-MRXNPFEDSA-N 0 0 393.443 3.859 20 10 GHCDRN CC[C@@H]1C[C@@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1 ZINC000817175287 895368765 /nfs/dbraw/zinc/36/87/65/895368765.db2.gz OQDGYSPNWGUCMY-DOTOQJQBSA-N 0 0 397.466 3.514 20 10 GHCDRN CS(C)(=O)=Nc1cccc(NC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000879871470 895376644 /nfs/dbraw/zinc/37/66/44/895376644.db2.gz JZHXVOPAPVTFAW-UHFFFAOYSA-N 0 0 386.521 3.968 20 10 GHCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1csc(CS(C)(=O)=O)n1 ZINC000817298836 895474499 /nfs/dbraw/zinc/47/44/99/895474499.db2.gz PXCQGCQPDFKXQB-OAHLLOKOSA-N 0 0 394.562 3.531 20 10 GHCDRN Cc1ccccc1-c1nc(CN(Cc2ccccc2O)C[C@H]2CCCO2)no1 ZINC000128424987 895709860 /nfs/dbraw/zinc/70/98/60/895709860.db2.gz LIBBCAJURIANAL-GOSISDBHSA-N 0 0 379.460 3.932 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cc(-n3ccnc3)ccc2O)cc1 ZINC001135946269 895739893 /nfs/dbraw/zinc/73/98/93/895739893.db2.gz LWXJDZPEQYCIOW-UHFFFAOYSA-N 0 0 378.476 3.696 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Nc3cccc4c3OCCCO4)CC2)cc1 ZINC000880837439 895922696 /nfs/dbraw/zinc/92/26/96/895922696.db2.gz NAZMECSGSAVNIX-UHFFFAOYSA-N 0 0 397.475 3.601 20 10 GHCDRN COc1ccc(N2CCCN(S(=O)(=O)c3c(C)sc(C)c3C)CC2)cc1 ZINC001185691501 914021206 /nfs/dbraw/zinc/02/12/06/914021206.db2.gz NOCNTIIYODSUNA-UHFFFAOYSA-N 0 0 394.562 3.583 20 10 GHCDRN C[C@H]1CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C[C@@H](c2ccsc2)O1 ZINC000817956156 895976945 /nfs/dbraw/zinc/97/69/45/895976945.db2.gz SANSEHMTRGCXAL-UGSOOPFHSA-N 0 0 399.541 3.980 20 10 GHCDRN COc1ccc(C[C@H](C)CNC(=O)c2csc(Cc3ccc(N)cc3)n2)cc1 ZINC000817998586 895982353 /nfs/dbraw/zinc/98/23/53/895982353.db2.gz IUCXRWIUKGOCCX-HNNXBMFYSA-N 0 0 395.528 3.933 20 10 GHCDRN Nc1ccc(Cc2nc(C(=O)NCc3ccn(C4CCCC4)n3)cs2)cc1 ZINC000817998122 895982522 /nfs/dbraw/zinc/98/25/22/895982522.db2.gz BSJRPCMMLAWYPC-UHFFFAOYSA-N 0 0 381.505 3.558 20 10 GHCDRN CC1(C)CO[C@H](CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000888857870 896057823 /nfs/dbraw/zinc/05/78/23/896057823.db2.gz INEBASMLKVVBGC-QGZVFWFLSA-N 0 0 382.451 3.578 20 10 GHCDRN COC(=O)c1cnc([C@H](C)N[C@@H](C)c2cc(Br)ccc2O)s1 ZINC000818358352 896145144 /nfs/dbraw/zinc/14/51/44/896145144.db2.gz WWXALQAQBWXDEJ-IUCAKERBSA-N 0 0 385.283 3.810 20 10 GHCDRN C[C@H](Nc1ccc(COCCO)cc1)c1cc(Br)cc(F)c1O ZINC000818361526 896147377 /nfs/dbraw/zinc/14/73/77/896147377.db2.gz KLGARJRIMAMTQF-NSHDSACASA-N 0 0 384.245 3.976 20 10 GHCDRN Cc1cc(C)c(NC(=O)[C@H](C)n2cc(COc3ccc(N)cc3)nn2)c(Cl)c1 ZINC000881155471 896204804 /nfs/dbraw/zinc/20/48/04/896204804.db2.gz YHDYWKCGIWEPMQ-AWEZNQCLSA-N 0 0 399.882 3.909 20 10 GHCDRN CCCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H]1CCC[C@@H](C)C1 ZINC000818801486 896242842 /nfs/dbraw/zinc/24/28/42/896242842.db2.gz APUKRMUZFYIQQD-GDBMZVCRSA-N 0 0 382.526 3.585 20 10 GHCDRN CC(C)c1nnc(CCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)o1 ZINC000128950123 896293030 /nfs/dbraw/zinc/29/30/30/896293030.db2.gz WVPXYSILVRJDMI-UHFFFAOYSA-N 0 0 389.411 3.540 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=S)N[C@H]3CCOc4ccccc43)C2)cc1 ZINC000819020743 896353154 /nfs/dbraw/zinc/35/31/54/896353154.db2.gz LCCOGPJXPLUHIS-JXFKEZNVSA-N 0 0 397.544 3.509 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000819071730 896387765 /nfs/dbraw/zinc/38/77/65/896387765.db2.gz ZIZVZQYIIZLPLL-NRFANRHFSA-N 0 0 393.531 3.779 20 10 GHCDRN O=C1CN(Cc2ccccc2O)C(=O)N1[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000819168910 896442690 /nfs/dbraw/zinc/44/26/90/896442690.db2.gz VIBZCUPYKLAEEW-KRWDZBQOSA-N 0 0 378.428 3.603 20 10 GHCDRN O=C1CN(Cc2ccccc2O)C(=O)N1CC1(c2c(F)cccc2F)CCC1 ZINC000819170084 896443018 /nfs/dbraw/zinc/44/30/18/896443018.db2.gz UJZMCKPBYOVJHB-UHFFFAOYSA-N 0 0 386.398 3.557 20 10 GHCDRN CC(=O)c1cccc(OC[C@@H](O)CNc2ccccc2OC[C@@H]2CCCCO2)c1 ZINC000819426240 896724417 /nfs/dbraw/zinc/72/44/17/896724417.db2.gz MBWZNJDZNIAXNA-FPOVZHCZSA-N 0 0 399.487 3.689 20 10 GHCDRN O=S(=O)(c1ccc2ccccc2c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000819427101 896727538 /nfs/dbraw/zinc/72/75/38/896727538.db2.gz HDMAWDTUUHXFGM-HXUWFJFHSA-N 0 0 397.496 3.915 20 10 GHCDRN COC1CCN(c2ccc(Cn3cc(C(F)(F)F)c(C)cc3=O)cc2)CC1 ZINC000882341831 896765523 /nfs/dbraw/zinc/76/55/23/896765523.db2.gz PLCLNOHGGYBQBS-UHFFFAOYSA-N 0 0 380.410 3.839 20 10 GHCDRN COc1c(O)c(CNc2ccc(N3CCSCC3)c(C)c2)ccc1[N+](=O)[O-] ZINC000774931368 914099450 /nfs/dbraw/zinc/09/94/50/914099450.db2.gz JEWBYBHKLCQTSW-UHFFFAOYSA-N 0 0 389.477 3.783 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)Cc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000819578211 896820089 /nfs/dbraw/zinc/82/00/89/896820089.db2.gz DMYDPELPUXHQGB-MRXNPFEDSA-N 0 0 392.421 3.899 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)CCSc3ccc(F)cc3)C2)cc1 ZINC000819581162 896823656 /nfs/dbraw/zinc/82/36/56/896823656.db2.gz UWMUPCFGBQIMGK-MRXNPFEDSA-N 0 0 388.508 3.959 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3ccc(-c4ccccc4)[nH]3)C2)cc1 ZINC000819581694 896826798 /nfs/dbraw/zinc/82/67/98/896826798.db2.gz CUSOKCHKBDYDKV-KRWDZBQOSA-N 0 0 375.472 3.947 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)CCOc3ccccc3Cl)C2)cc1 ZINC000819581983 896827515 /nfs/dbraw/zinc/82/75/15/896827515.db2.gz BRZKUWUSKRUVTH-MRXNPFEDSA-N 0 0 388.895 3.760 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cc(-c4cccs4)on3)C2)cc1 ZINC000819583159 896828642 /nfs/dbraw/zinc/82/86/42/896828642.db2.gz PZPRZOMLMCIXHN-CQSZACIVSA-N 0 0 383.473 3.668 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)Cc3coc(-c4cccs4)n3)C2)cc1 ZINC000819583025 896829080 /nfs/dbraw/zinc/82/90/80/896829080.db2.gz SHMIAKVPKNJAGU-HNNXBMFYSA-N 0 0 397.500 3.597 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)C[C@@H]3CCOc4ccccc43)C2)cc1 ZINC000819585130 896833272 /nfs/dbraw/zinc/83/32/72/896833272.db2.gz WYLFBMLROPPHBN-MSOLQXFVSA-N 0 0 380.488 3.594 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)COc3ccc(Cl)c(F)c3)C2)cc1 ZINC000819591761 896841748 /nfs/dbraw/zinc/84/17/48/896841748.db2.gz WERQILKQZHDBBK-AWEZNQCLSA-N 0 0 392.858 3.509 20 10 GHCDRN Cc1nn(C)c2nc(NCc3ccc(N4CCC(O)CC4)cc3)c(C)c(Cl)c12 ZINC000882634397 896875626 /nfs/dbraw/zinc/87/56/26/896875626.db2.gz WNZMOEQAUUYDAM-UHFFFAOYSA-N 0 0 399.926 3.812 20 10 GHCDRN COc1c(O)c(CNc2cc(F)ccc2OC[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000774938306 914107589 /nfs/dbraw/zinc/10/75/89/914107589.db2.gz UHKRRBDIABDINJ-AWEZNQCLSA-N 0 0 392.383 3.618 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@@H](C)c1c[nH]c2ccccc21 ZINC000819698535 896910490 /nfs/dbraw/zinc/91/04/90/896910490.db2.gz NBLBLGDUKNATNY-MRXNPFEDSA-N 0 0 394.471 3.959 20 10 GHCDRN O=C1/C(=C\c2cccc(OC(F)(F)F)c2)SC(=S)N1Cc1ccon1 ZINC000130327097 897057852 /nfs/dbraw/zinc/05/78/52/897057852.db2.gz ZVMGCOOSCLZAAQ-KPKJPENVSA-N 0 0 386.376 3.975 20 10 GHCDRN COc1cccc([C@H]2CN(C(=O)c3cc(C)n(-c4ccccn4)c3C)CCO2)c1 ZINC000130373587 897069132 /nfs/dbraw/zinc/06/91/32/897069132.db2.gz KMRZKFZOLWKOLQ-OAQYLSRUSA-N 0 0 391.471 3.711 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1nc2ccccc2c(=O)[nH]1 ZINC000820022104 897090795 /nfs/dbraw/zinc/09/07/95/897090795.db2.gz BFFQZBSZJWBXBW-UHFFFAOYSA-N 0 0 378.457 3.734 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC001136336578 897308628 /nfs/dbraw/zinc/30/86/28/897308628.db2.gz XDJLJAQFLMWRLF-UHFFFAOYSA-N 0 0 377.400 3.745 20 10 GHCDRN CS(=O)(=O)CC1(CNc2ccc(Cl)cc2C(=O)c2ccccc2)CC1 ZINC000778603065 897333062 /nfs/dbraw/zinc/33/30/62/897333062.db2.gz SXSXDKPCJIGJGZ-UHFFFAOYSA-N 0 0 377.893 3.808 20 10 GHCDRN COc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc(SC)cc3)CC2)cc1 ZINC000042289951 897398582 /nfs/dbraw/zinc/39/85/82/897398582.db2.gz NCPWBQQMODUPFI-INIZCTEOSA-N 0 0 385.533 3.566 20 10 GHCDRN CN(C)C(=O)C[C@H]1CN(Cc2c[nH]nc2-c2cccnc2)c2ccc(Cl)cc21 ZINC000289373734 914164025 /nfs/dbraw/zinc/16/40/25/914164025.db2.gz BNKODYYSJXULIE-HNNXBMFYSA-N 0 0 395.894 3.707 20 10 GHCDRN CCOC(=O)CCN(CC1CC1)C(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC001136378510 897551204 /nfs/dbraw/zinc/55/12/04/897551204.db2.gz IQTCBGOJNQFIPH-UHFFFAOYSA-N 0 0 396.487 3.712 20 10 GHCDRN COc1ccc(N(C)CC(=O)Nc2ccc(N3CCCC3)cc2C)c(OC)c1 ZINC000132095811 897665219 /nfs/dbraw/zinc/66/52/19/897665219.db2.gz QUWOOTDPOREUKW-UHFFFAOYSA-N 0 0 383.492 3.687 20 10 GHCDRN COc1c([O-])c(C[NH2+]C2(c3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-] ZINC000774956460 914190277 /nfs/dbraw/zinc/19/02/77/914190277.db2.gz RLKWVOJOHIUSEG-UHFFFAOYSA-N 0 0 393.237 3.850 20 10 GHCDRN CN1CCCc2cc(CNC(=O)c3c[nH]c(=S)n3-c3ccc(F)cc3)ccc21 ZINC001136436196 897844929 /nfs/dbraw/zinc/84/49/29/897844929.db2.gz MSOZJPWJAZJPMM-UHFFFAOYSA-N 0 0 396.491 3.613 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)Nc1cc(-c2ccccc2)on1 ZINC000821345786 897846885 /nfs/dbraw/zinc/84/68/85/897846885.db2.gz NFAMYRBOXXVFPH-UHFFFAOYSA-N 0 0 392.459 3.624 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000101569639 897946473 /nfs/dbraw/zinc/94/64/73/897946473.db2.gz ZQRCOSUHSQDFFT-UHFFFAOYSA-N 0 0 393.940 3.687 20 10 GHCDRN Cn1ccc(Nc2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)cc2)n1 ZINC000821841803 898090026 /nfs/dbraw/zinc/09/00/26/898090026.db2.gz FZLTWBVMMQUZGA-UHFFFAOYSA-N 0 0 375.476 3.694 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCCCOC(C)(C)C ZINC000822019470 898174700 /nfs/dbraw/zinc/17/47/00/898174700.db2.gz YMLXKCRSEXUDSH-UHFFFAOYSA-N 0 0 387.318 3.891 20 10 GHCDRN C[C@@H](NC(=O)CCC(=O)Nc1c(F)cccc1F)c1ccc(N(C)C)cc1 ZINC000822083720 898217392 /nfs/dbraw/zinc/21/73/92/898217392.db2.gz XTQZGKJLMOAKRX-CYBMUJFWSA-N 0 0 375.419 3.627 20 10 GHCDRN C[C@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c2ccccc21 ZINC000822182167 898246744 /nfs/dbraw/zinc/24/67/44/898246744.db2.gz GQHFUVGRMBVBFO-LSDHHAIUSA-N 0 0 396.491 3.898 20 10 GHCDRN CC(C)Oc1ccccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000106284318 898262248 /nfs/dbraw/zinc/26/22/48/898262248.db2.gz BNDDHYYFLITSLV-UHFFFAOYSA-N 0 0 386.467 3.504 20 10 GHCDRN COc1cc(CC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)ccc1O ZINC000822419952 898362035 /nfs/dbraw/zinc/36/20/35/898362035.db2.gz KHEUZENOUKFDNV-UHFFFAOYSA-N 0 0 394.471 3.831 20 10 GHCDRN COc1ccc(CC(=O)NCc2ccc(N3CCCC3)cc2)c(Cl)c1OC ZINC000822495874 898429389 /nfs/dbraw/zinc/42/93/89/898429389.db2.gz RNLPMZQLOURHOO-UHFFFAOYSA-N 0 0 388.895 3.816 20 10 GHCDRN CCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000303061531 914256458 /nfs/dbraw/zinc/25/64/58/914256458.db2.gz UUUIWQZGAJKABF-FQEVSTJZSA-N 0 0 381.520 3.863 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000822612645 898501012 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O=C(NCc1ccccc1O)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000748345274 923585109 /nfs/dbraw/zinc/58/51/09/923585109.db2.gz CDZKINDMNFCCTL-UHFFFAOYSA-N 0 0 379.313 3.666 20 10 GHCDRN Cc1cccn2cc(COc3ccc(C(=O)NCc4ccccc4O)cc3)nc12 ZINC000748345663 923585403 /nfs/dbraw/zinc/58/54/03/923585403.db2.gz HOWKGKCXCVXQKZ-UHFFFAOYSA-N 0 0 387.439 3.857 20 10 GHCDRN Cc1cc(C(=O)N2CCC(O[C@@H]3CCOC3)CC2)c(C)n1-c1ccccc1C ZINC000748508221 923697850 /nfs/dbraw/zinc/69/78/50/923697850.db2.gz JZUCACARZCQCBO-HXUWFJFHSA-N 0 0 382.504 3.813 20 10 GHCDRN COC(=O)CN(C(=O)/C=C/c1cnc(C(C)(C)C)s1)c1cccc(F)c1 ZINC000748745323 923810510 /nfs/dbraw/zinc/81/05/10/923810510.db2.gz RTCMFXFLSFEDEU-CMDGGOBGSA-N 0 0 376.453 3.799 20 10 GHCDRN C[C@@H](NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1)C(=O)NC(C)(C)C ZINC000749009022 923975068 /nfs/dbraw/zinc/97/50/68/923975068.db2.gz IMKQOSJHGMDWLC-MRXNPFEDSA-N 0 0 388.556 3.558 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2cn(C)nc2C(F)(F)F)cc1 ZINC000749060078 924007190 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COc1c([O-])c(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)ccc1[N+](=O)[O-] ZINC000373898439 926537401 /nfs/dbraw/zinc/53/74/01/926537401.db2.gz OZMPFAYLEFYHHF-AWEZNQCLSA-N 0 0 383.404 3.830 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=S)NCCc2ccccn2)cc1 ZINC000726127494 926562872 /nfs/dbraw/zinc/56/28/72/926562872.db2.gz NLJCYLVZHNWKHJ-UHFFFAOYSA-N 0 0 394.544 3.860 20 10 GHCDRN CCCC(=O)NC[C@H]1CCCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000726172319 926577905 /nfs/dbraw/zinc/57/79/05/926577905.db2.gz XMCNRKZVYZVSFA-LJQANCHMSA-N 0 0 381.520 3.863 20 10 GHCDRN O=C(OCc1ccnc(Cl)c1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000726198801 926586649 /nfs/dbraw/zinc/58/66/49/926586649.db2.gz XIUNFECTAXPUIE-UHFFFAOYSA-N 0 0 377.783 3.867 20 10 GHCDRN C[C@H](COCC(F)(F)F)NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000726247646 926609798 /nfs/dbraw/zinc/60/97/98/926609798.db2.gz OXYBTRTVBDFHQE-CYBMUJFWSA-N 0 0 386.370 3.664 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCOc2c(OC)cccc21 ZINC000726274349 926617288 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O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1(C(F)(F)F)CC1 ZINC000726566721 926743038 /nfs/dbraw/zinc/74/30/38/926743038.db2.gz BHAVNASPSHRHGH-UHFFFAOYSA-N 0 0 378.341 3.716 20 10 GHCDRN CN(C)c1ccc(CNC(=O)NCc2cccc(OCC(F)F)c2)cc1F ZINC000726615367 926765326 /nfs/dbraw/zinc/76/53/26/926765326.db2.gz LANLCTXBBHSJLV-UHFFFAOYSA-N 0 0 381.398 3.535 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NCCc3cc(C)ccc3OC)CC2)cc1 ZINC000726703372 926814498 /nfs/dbraw/zinc/81/44/98/926814498.db2.gz WSTVGIDIDUQBGM-UHFFFAOYSA-N 0 0 397.519 3.523 20 10 GHCDRN Cc1cc(CC(=O)NCCCc2cnn(C)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000726763131 926839610 /nfs/dbraw/zinc/83/96/10/926839610.db2.gz VDNOEZSAMIPHDF-UHFFFAOYSA-N 0 0 384.911 3.773 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3cn(C)nc3C3CCCCC3)CC2)cc1 ZINC000726776601 926848820 /nfs/dbraw/zinc/84/88/20/926848820.db2.gz WICJRJTYRQUCOF-UHFFFAOYSA-N 0 0 396.535 3.875 20 10 GHCDRN CNC(=O)C1CCC(NC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)CC1 ZINC000749363057 927073023 /nfs/dbraw/zinc/07/30/23/927073023.db2.gz 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ZINC000750035699 927398917 /nfs/dbraw/zinc/39/89/17/927398917.db2.gz HKALKOWEAWKQFN-UHFFFAOYSA-N 0 0 386.879 3.772 20 10 GHCDRN C[C@H](C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(Cl)s1 ZINC000750547974 927706387 /nfs/dbraw/zinc/70/63/87/927706387.db2.gz LYRCYYJXCDRADJ-ZDUSSCGKSA-N 0 0 394.924 3.773 20 10 GHCDRN C[C@@H]1CN(C(=O)/C=C\c2cnccn2)c2ccccc2N(Cc2ccccc2)C1=O ZINC000750977651 927961348 /nfs/dbraw/zinc/96/13/48/927961348.db2.gz FDFSLJKKSATOGU-YUIUBULTSA-N 0 0 398.466 3.706 20 10 GHCDRN COc1cccc2c1OCC(C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)=C2 ZINC000751076709 928016454 /nfs/dbraw/zinc/01/64/54/928016454.db2.gz JYKIIMZEHOEFHE-UHFFFAOYSA-N 0 0 380.488 3.974 20 10 GHCDRN Cn1cc(N2CC[C@@H](Nc3ccc(Cl)cc3C(=O)c3ccccc3)C2=O)cn1 ZINC000751266253 928101820 /nfs/dbraw/zinc/10/18/20/928101820.db2.gz ZGROXVLEUIJYEH-LJQANCHMSA-N 0 0 394.862 3.522 20 10 GHCDRN C[C@@H](C(=O)Nc1c(-c2ccccn2)nc2ccccn21)n1cnc2ccccc21 ZINC000751299731 928116322 /nfs/dbraw/zinc/11/63/22/928116322.db2.gz PDBBOAWDYKWYFY-HNNXBMFYSA-N 0 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Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccn(CCC(F)(F)F)n1 ZINC001276282943 929278291 /nfs/dbraw/zinc/27/82/91/929278291.db2.gz BMDPBARAYNOOQM-CQSZACIVSA-N 0 0 382.430 3.571 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCC1(CS(C)(=O)=O)CCC1 ZINC000753343225 929310240 /nfs/dbraw/zinc/31/02/40/929310240.db2.gz JIMFVAADMPZKTK-UHFFFAOYSA-N 0 0 381.519 3.527 20 10 GHCDRN CC(C)C1(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000753344296 929310439 /nfs/dbraw/zinc/31/04/39/929310439.db2.gz OMTYWJQPOFXFKE-UHFFFAOYSA-N 0 0 381.467 3.992 20 10 GHCDRN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3cccc(Cl)c3)CC2)cc1F ZINC000753737264 929508765 /nfs/dbraw/zinc/50/87/65/929508765.db2.gz DLLPTRYMNMCSEC-QZTJIDSGSA-N 0 0 388.870 3.940 20 10 GHCDRN CCNC(=O)C1(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)CCC1 ZINC000753746566 929514034 /nfs/dbraw/zinc/51/40/34/929514034.db2.gz LZIYEHMXFPGPBF-UHFFFAOYSA-N 0 0 387.524 3.543 20 10 GHCDRN Cc1cc(C(=O)N[C@H](C)CO[C@H]2CCOC2)c(C)n1-c1ccc(Cl)cc1 ZINC000753781817 929535007 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CCn1cc(C(=O)NCc2ccc(N(C)C)cc2C)c(=O)c2cc(Cl)ccc21 ZINC000758170221 929959466 /nfs/dbraw/zinc/95/94/66/929959466.db2.gz KDSKPQDAYJKTPY-UHFFFAOYSA-N 0 0 397.906 3.979 20 10 GHCDRN COc1ccc(C(=O)Nc2ccc(C(=O)N(C)Cc3ccccc3O)s2)cc1 ZINC000758259740 929991493 /nfs/dbraw/zinc/99/14/93/929991493.db2.gz AZFVKSRQGYXPQZ-UHFFFAOYSA-N 0 0 396.468 3.987 20 10 GHCDRN C[C@H](NC(=O)[C@H](C)OC(=O)c1cccc(O)c1O)c1cccc2ccccc21 ZINC000758559802 930082860 /nfs/dbraw/zinc/08/28/60/930082860.db2.gz SSYUWCUHBNYPME-KBPBESRZSA-N 0 0 379.412 3.674 20 10 GHCDRN Cc1ccc(S(=O)(=O)c2ccc(COC(=O)c3cccc(O)c3O)cc2)cc1 ZINC000758573307 930087819 /nfs/dbraw/zinc/08/78/19/930087819.db2.gz QFUPARCQZPENOA-UHFFFAOYSA-N 0 0 398.436 3.596 20 10 GHCDRN O=C(NCCCSc1nccs1)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000758582195 930091855 /nfs/dbraw/zinc/09/18/55/930091855.db2.gz KBKDSKJWGSCOCR-HZPDHXFCSA-N 0 0 395.525 3.984 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N(C)CCC(=O)OC(C)(C)C)cc1F ZINC000758753220 930158947 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O=C1CCC2(CC[NH+](Cc3c([O-])cccc3F)CC2)N1Cc1cccc(F)c1 ZINC001137835847 935815274 /nfs/dbraw/zinc/81/52/74/935815274.db2.gz QAFLFURLKSGOMS-UHFFFAOYSA-N 0 0 386.442 3.828 20 10 GHCDRN COCCC[N@H+](Cc1c([O-])cccc1F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001137837390 935816576 /nfs/dbraw/zinc/81/65/76/935816576.db2.gz DVZGFOLJERVRIA-MRXNPFEDSA-N 0 0 396.503 3.769 20 10 GHCDRN Cc1cc(CN2CCc3onc(Cn4cccn4)c3C2)c(C)n1-c1ccccc1 ZINC001137857122 935828686 /nfs/dbraw/zinc/82/86/86/935828686.db2.gz AUMXCDMNQGKJIA-UHFFFAOYSA-N 0 0 387.487 3.885 20 10 GHCDRN COC(=O)c1cnc(S[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)s1 ZINC000829681086 935844651 /nfs/dbraw/zinc/84/46/51/935844651.db2.gz NCVDQHABUPWNCL-NSHDSACASA-N 0 0 386.857 3.620 20 10 GHCDRN COC(=O)c1cnc(SCC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)s1 ZINC000829684568 935844786 /nfs/dbraw/zinc/84/47/86/935844786.db2.gz TYDDNSQNBAZZTL-JTQLQIEISA-N 0 0 384.910 3.895 20 10 GHCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)c1[O-] ZINC000829739324 935854153 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GHCDRN CN(c1ccc(CNC(=O)c2cccc(-n3ccnn3)c2)cc1)C1CCCCC1 ZINC001625905142 1014357610 /nfs/dbraw/zinc/35/76/10/1014357610.db2.gz JNJUKALNLUGOND-UHFFFAOYSA-N 0 0 389.503 3.966 20 10 GHCDRN O=C([O-])C1CC[NH+](Cc2ccc(N3CCCCC3)c(Br)c2)CC1 ZINC000840995330 979295604 /nfs/dbraw/zinc/29/56/04/979295604.db2.gz GEAAARBKNODKOG-UHFFFAOYSA-N 0 0 381.314 3.736 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1ccccc1Cn1cncn1 ZINC001625967698 1014596605 /nfs/dbraw/zinc/59/66/05/1014596605.db2.gz XLZKEQAYZVLHGQ-UHFFFAOYSA-N 0 0 399.498 3.972 20 10 GHCDRN CC1(C)Cc2cc(C(=O)NCc3ccc(N4CCSCC4)cc3)ccc2O1 ZINC001625969560 1014597864 /nfs/dbraw/zinc/59/78/64/1014597864.db2.gz FIHBGPIKCOWGLF-UHFFFAOYSA-N 0 0 382.529 3.883 20 10 GHCDRN CCOCOc1ccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)cc1 ZINC001596945390 986084915 /nfs/dbraw/zinc/08/49/15/986084915.db2.gz JGEXYFADOAXUAJ-UHFFFAOYSA-N 0 0 379.840 3.505 20 10 GHCDRN C[C@@H]([NH2+][C@@H](CCC(=O)[O-])c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC001593204278 994199243 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CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000159184959 1020169834 /nfs/dbraw/zinc/16/98/34/1020169834.db2.gz NDPMNBALCLIOER-ICSRJNTNSA-N 0 0 386.442 3.564 20 10 GHCDRN C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(N)cc1 ZINC000189448402 1020447603 /nfs/dbraw/zinc/44/76/03/1020447603.db2.gz ZSZSFZPJXQYNGU-OAHLLOKOSA-N 0 0 399.454 3.878 20 10 GHCDRN O=C(NCc1c(O)cccc1F)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001156171177 1032912022 /nfs/dbraw/zinc/91/20/22/1032912022.db2.gz XICHDLLXIZAPNP-IBGZPJMESA-N 0 0 397.368 3.816 20 10 GHCDRN Cc1noc(C)c1CSc1ncccc1C(=O)NCc1c(O)cccc1F ZINC001156164392 1032908667 /nfs/dbraw/zinc/90/86/67/1032908667.db2.gz ZRNCFINDEJXXLC-UHFFFAOYSA-N 0 0 387.436 3.753 20 10 GHCDRN CN(C)c1ccc([C@@H](CNc2ncc(Cl)cn2)NC(=O)OC(C)(C)C)cc1 ZINC000795227742 1020993336 /nfs/dbraw/zinc/99/33/36/1020993336.db2.gz SDORUXJJZNGTBD-MRXNPFEDSA-N 0 0 391.903 3.874 20 10 GHCDRN O=C(c1ccc(F)cc1)c1cc(Cl)ccc1NC[C@@H]1CCCS(=O)(=O)C1 ZINC000795266294 1021007242 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CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1occ2c1CCC2 ZINC000834518268 1021239123 /nfs/dbraw/zinc/23/91/23/1021239123.db2.gz IJXHSXOWIUATCE-UHFFFAOYSA-N 0 0 384.476 3.771 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H]1CCC[C@@H](OC)C1 ZINC000834518300 1021239809 /nfs/dbraw/zinc/23/98/09/1021239809.db2.gz JFAUFQKYHATKPH-VQIMIIECSA-N 0 0 390.524 3.580 20 10 GHCDRN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1nc(Br)cs1 ZINC000834531128 1021249803 /nfs/dbraw/zinc/24/98/03/1021249803.db2.gz QDTQTNNMUONVQO-GFCCVEGCSA-N 0 0 382.327 3.593 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(Cc2nc3c(s2)CCC3)CC1 ZINC000834547125 1021263005 /nfs/dbraw/zinc/26/30/05/1021263005.db2.gz ANIYQIAXTVZYGZ-ALCCZGGFSA-N 0 0 384.501 3.538 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)[C@@H](C)Cc1ccc(O)c(O[C@@H]2COC[C@H]2F)c1 ZINC001228522467 1032969614 /nfs/dbraw/zinc/96/96/14/1032969614.db2.gz OKBMUYGPCYATDQ-QNJSMHKSSA-N 0 0 390.451 3.977 20 10 GHCDRN COC(=O)[C@@H](C)Oc1cc(C[C@H](C)[C@@H](C)Cc2ccc(O)c(O)c2)ccc1O ZINC001228522974 1032969730 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3.598 20 10 GHCDRN Oc1cc(Cl)ccc1CN1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 ZINC001140464816 1021758454 /nfs/dbraw/zinc/75/84/54/1021758454.db2.gz CREIWPXAVCZQQR-LAUBAEHRSA-N 0 0 388.895 3.891 20 10 GHCDRN CN(C)c1ccc(/C=C/CNc2cccc(OCC(=O)N3CCCC3)c2)cc1 ZINC000835031061 1021789077 /nfs/dbraw/zinc/78/90/77/1021789077.db2.gz JLLNUBYPYNDTIO-VOTSOKGWSA-N 0 0 379.504 3.879 20 10 GHCDRN CCSCc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000835129812 1021911671 /nfs/dbraw/zinc/91/16/71/1021911671.db2.gz AHEOOWJINMJPME-UHFFFAOYSA-N 0 0 385.533 3.569 20 10 GHCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001140581336 1022001682 /nfs/dbraw/zinc/00/16/82/1022001682.db2.gz PAAOFBLVXLFOTP-CTNGQTDRSA-N 0 0 390.430 3.516 20 10 GHCDRN Fc1cc(N2CCOCC2)ccc1CN1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001140664753 1022209050 /nfs/dbraw/zinc/20/90/50/1022209050.db2.gz RDZWOBREHQSTQY-QGZVFWFLSA-N 0 0 384.377 3.519 20 10 GHCDRN CCC(CC)[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])N1CCOCC1 ZINC000725845186 1022385874 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GHCDRN C[C@@]1(CNC(=O)NCc2ccc(N3CCSCC3)cc2)CC1(Cl)Cl ZINC000836243119 1022762091 /nfs/dbraw/zinc/76/20/91/1022762091.db2.gz UHYQXVLDRBRVIM-INIZCTEOSA-N 0 0 388.364 3.623 20 10 GHCDRN CC(C)COC[C@H]1CN(Cc2ccc(N(C)C)cc2Cl)Cc2ncn(C)c21 ZINC001140922507 1022891525 /nfs/dbraw/zinc/89/15/25/1022891525.db2.gz SAGZZPXIOHDMRW-QGZVFWFLSA-N 0 0 390.959 3.912 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H](C4CCOCC4)C3)c2C)cc1 ZINC000754893227 1022954071 /nfs/dbraw/zinc/95/40/71/1022954071.db2.gz XUCPRTJIWBKXBV-LJQANCHMSA-N 0 0 382.504 3.991 20 10 GHCDRN O=S(=O)(Nc1ccc(O)cc1F)c1cccc(Cl)c1Br ZINC000755021204 1023026166 /nfs/dbraw/zinc/02/61/66/1023026166.db2.gz YAJJALCMSIIINB-UHFFFAOYSA-N 0 0 380.622 3.748 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3c[nH]nc3-c3ccccc3Cl)CC2)cc1 ZINC000755039844 1023037071 /nfs/dbraw/zinc/03/70/71/1023037071.db2.gz HRKZHZARKMKFCQ-UHFFFAOYSA-N 0 0 396.878 3.701 20 10 GHCDRN CC(F)(F)CCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000836504275 1023040351 /nfs/dbraw/zinc/04/03/51/1023040351.db2.gz LJFGHVMUWUSWHL-UHFFFAOYSA-N 0 0 391.409 3.991 20 10 GHCDRN CO[C@@H]1CC[C@H]2OCCN(CC(=O)c3cc(C)n(-c4cccc(C)c4)c3C)[C@H]2C1 ZINC000755052663 1023047035 /nfs/dbraw/zinc/04/70/35/1023047035.db2.gz CEGYTOHDCFGKAQ-JCTONOIOSA-N 0 0 396.531 3.854 20 10 GHCDRN CC[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)F ZINC000836510047 1023050919 /nfs/dbraw/zinc/05/09/19/1023050919.db2.gz BKKYTIMAUBGFFX-RISCZKNCSA-N 0 0 377.382 3.600 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CCO[C@@H](c3ccncc3)C2)cc1 ZINC000836616578 1023171452 /nfs/dbraw/zinc/17/14/52/1023171452.db2.gz SRRWFRVGHDUZPN-RBBKRZOGSA-N 0 0 396.535 3.990 20 10 GHCDRN O=C(NC[C@@H]1C[C@H]1C1CC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000836662490 1023222280 /nfs/dbraw/zinc/22/22/80/1023222280.db2.gz VQAZZXDRPWPBBA-KSSFIOAISA-N 0 0 379.451 3.602 20 10 GHCDRN CC(C)(CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C1=CCCC1 ZINC000836673421 1023236284 /nfs/dbraw/zinc/23/62/84/1023236284.db2.gz RDKFHJVMPFFNNA-UHFFFAOYSA-N 0 0 385.552 3.831 20 10 GHCDRN CC(=O)N(c1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1)[C@H]1C[C@H]1C ZINC000836704792 1023278833 /nfs/dbraw/zinc/27/88/33/1023278833.db2.gz RIQQPKAXKMMREP-LPMFXHHGSA-N 0 0 397.475 3.612 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)c(C)n1-c1ccccn1 ZINC000755515002 1023279550 /nfs/dbraw/zinc/27/95/50/1023279550.db2.gz SFQXEAWDVOXYGS-MRXNPFEDSA-N 0 0 396.441 3.776 20 10 GHCDRN CC(C)[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000755580363 1023300238 /nfs/dbraw/zinc/30/02/38/1023300238.db2.gz ZYHNHNOYURNAGB-OAQYLSRUSA-N 0 0 388.458 3.857 20 10 GHCDRN Cc1cc(C(=O)COC(=O)CCc2ccncn2)c(C)n1-c1cccc(C)c1 ZINC000755635573 1023320293 /nfs/dbraw/zinc/32/02/93/1023320293.db2.gz PMQSZPHTYXMCMB-UHFFFAOYSA-N 0 0 377.444 3.551 20 10 GHCDRN Cc1ccc(C(=O)N2CCN(Cc3cc4c5c(c3)CCCN5CCC4)CC2)cc1 ZINC001141078214 1023444207 /nfs/dbraw/zinc/44/42/07/1023444207.db2.gz PILOPXLLYSRKTR-UHFFFAOYSA-N 0 0 389.543 3.652 20 10 GHCDRN COc1cccc(CNC(=O)NCC2(c3cccc(F)c3F)CCCC2)c1O ZINC000756030862 1023486534 /nfs/dbraw/zinc/48/65/34/1023486534.db2.gz QYPLPYCYWADIOL-UHFFFAOYSA-N 0 0 390.430 3.990 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)NCCc2cnc(C3CC3)nc2)cc1 ZINC000756091226 1023518643 /nfs/dbraw/zinc/51/86/43/1023518643.db2.gz GFBGTNCKSKSQDK-UHFFFAOYSA-N 0 0 381.524 3.584 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)c1 ZINC000756366639 1023610544 /nfs/dbraw/zinc/61/05/44/1023610544.db2.gz VRUIRLYWVNOPFB-OAHLLOKOSA-N 0 0 393.487 3.891 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(OCC(F)(F)F)cc2)c1 ZINC000756366865 1023610995 /nfs/dbraw/zinc/61/09/95/1023610995.db2.gz JLZPSFFXDHHHHB-LBPRGKRZSA-N 0 0 383.366 3.971 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCCN(C)C1)c1cc(Br)cc(Br)c1[O-] ZINC000756447377 1023653032 /nfs/dbraw/zinc/65/30/32/1023653032.db2.gz UZOPLWWVJVIFAH-ONGXEEELSA-N 0 0 392.135 3.662 20 10 GHCDRN COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000756526921 1023698067 /nfs/dbraw/zinc/69/80/67/1023698067.db2.gz IBWOAVCCWOFQEX-TZMCWYRMSA-N 0 0 391.855 3.892 20 10 GHCDRN C[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1cc(Br)c(F)cc1[O-] ZINC000756576443 1023718507 /nfs/dbraw/zinc/71/85/07/1023718507.db2.gz UIQJNZKYFIMXBE-NSHDSACASA-N 0 0 381.245 3.973 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cc(N(C)C)nc3ccccc23)c1 ZINC000756624357 1023742570 /nfs/dbraw/zinc/74/25/70/1023742570.db2.gz FJAUXEPJYXLNGT-AWEZNQCLSA-N 0 0 379.460 3.644 20 10 GHCDRN C[C@@H](NCc1csc(CNC(=O)c2ccccc2)n1)c1cc(F)ccc1O ZINC000756643181 1023750287 /nfs/dbraw/zinc/75/02/87/1023750287.db2.gz SXVXKEDHXJIQHD-CYBMUJFWSA-N 0 0 385.464 3.769 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(C)cc2OC[C@@H]2CCCO2)c1 ZINC000756646436 1023752299 /nfs/dbraw/zinc/75/22/99/1023752299.db2.gz MJRNSSBPZGOFFJ-LPHOPBHVSA-N 0 0 399.487 3.896 20 10 GHCDRN CN(CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc2c(c1)OCO2 ZINC000756655498 1023756339 /nfs/dbraw/zinc/75/63/39/1023756339.db2.gz XIKKJQKQRQGNOS-UHFFFAOYSA-N 0 0 382.416 3.532 20 10 GHCDRN CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000756656362 1023757242 /nfs/dbraw/zinc/75/72/42/1023757242.db2.gz WJRABKBVUMUQOX-BUKVSMQUSA-N 0 0 399.491 3.631 20 10 GHCDRN C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1cc(Br)c(F)cc1[O-] ZINC000756660328 1023760551 /nfs/dbraw/zinc/76/05/51/1023760551.db2.gz VUOJKWJAOZEXCB-DGCLKSJQSA-N 0 0 399.304 3.736 20 10 GHCDRN COc1ccc([C@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])N(C)C)cc1OC ZINC000756664724 1023763333 /nfs/dbraw/zinc/76/33/33/1023763333.db2.gz PGYMNUBEPNTCBD-PXAZEXFGSA-N 0 0 380.435 3.641 20 10 GHCDRN CC(=O)c1ccc2c(c1)CCN(C(=O)NCc1ccc3c(c1)CCCN3C)CC2 ZINC000756690976 1023774633 /nfs/dbraw/zinc/77/46/33/1023774633.db2.gz KSVNVDNNFYEYHY-UHFFFAOYSA-N 0 0 391.515 3.582 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1cc(Br)cc(F)c1[O-] ZINC000756761040 1023804560 /nfs/dbraw/zinc/80/45/60/1023804560.db2.gz KZKHIIUETMECNP-MEDUHNTESA-N 0 0 399.304 3.878 20 10 GHCDRN COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)C2 ZINC000756775973 1023811314 /nfs/dbraw/zinc/81/13/14/1023811314.db2.gz SYAZHENFVBOSNA-SMDDNHRTSA-N 0 0 378.266 3.818 20 10 GHCDRN C[C@@H](CO)CCC[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000756786190 1023815848 /nfs/dbraw/zinc/81/58/48/1023815848.db2.gz YMBRDSXETXBZKE-ZJUUUORDSA-N 0 0 395.135 3.976 20 10 GHCDRN Cc1cc(C(=O)Nc2nc(-c3cccnc3)ns2)c(C)n1-c1ccccn1 ZINC000756810504 1023823631 /nfs/dbraw/zinc/82/36/31/1023823631.db2.gz FQHZZXSMXTWLHD-UHFFFAOYSA-N 0 0 376.445 3.655 20 10 GHCDRN COCC(=O)Nc1ccc(N[C@@H](C)c2cc(Br)ccc2O)cc1 ZINC000756862835 1023839536 /nfs/dbraw/zinc/83/95/36/1023839536.db2.gz DYOHCWFYHHEKOU-NSHDSACASA-N 0 0 379.254 3.913 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(C)n(-c2ccn(C)n2)c1C ZINC001626161007 1023936011 /nfs/dbraw/zinc/93/60/11/1023936011.db2.gz SVQISXXUSXWBJN-UHFFFAOYSA-N 0 0 380.492 3.976 20 10 GHCDRN COc1ccc(N2CCCN(c3nnc(C4CCC4)n3CC3CC3)CC2)cc1 ZINC000830516131 1023964313 /nfs/dbraw/zinc/96/43/13/1023964313.db2.gz JAFRIHWZVUUPHT-UHFFFAOYSA-N 0 0 381.524 3.681 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2nn(C(C)(C)C)cc2Br)c1 ZINC000830541519 1023976487 /nfs/dbraw/zinc/97/64/87/1023976487.db2.gz ZEDAOQAVMOCCFL-SNVBAGLBSA-N 0 0 396.285 3.606 20 10 GHCDRN Cc1cc(CC(=O)N[C@H]2CCO[C@]3(CCSC3)C2)c(C)n1-c1ccccc1 ZINC000830577132 1023995745 /nfs/dbraw/zinc/99/57/45/1023995745.db2.gz PHOZMBOHTXBUJN-SIKLNZKXSA-N 0 0 384.545 3.808 20 10 GHCDRN Cc1cc(CN[C@@H](C(=O)OC(C)(C)C)c2ccnn2C)ccc1N1CCCCC1 ZINC000830689268 1024076686 /nfs/dbraw/zinc/07/66/86/1024076686.db2.gz DISZMWNYTKDOMZ-OAQYLSRUSA-N 0 0 398.551 3.891 20 10 GHCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001138126917 1024173165 /nfs/dbraw/zinc/17/31/65/1024173165.db2.gz MQBWRTBLPPGXTO-NQIIRXRSSA-N 0 0 390.430 3.516 20 10 GHCDRN O=C(NC1CC[NH+](Cc2cccc(F)c2[O-])CC1)c1ccccc1C(F)(F)F ZINC001138131267 1024186468 /nfs/dbraw/zinc/18/64/68/1024186468.db2.gz URTLZKUTZVLNLN-UHFFFAOYSA-N 0 0 396.384 3.945 20 10 GHCDRN CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CCC(=O)C3)c2C)cc1 ZINC000830927513 1024251516 /nfs/dbraw/zinc/25/15/16/1024251516.db2.gz ONQASIIMPRKIQA-INIZCTEOSA-N 0 0 383.444 3.588 20 10 GHCDRN CN(C)c1ccc([C@H](CNC(=O)OC2CCC2)NC(=O)OC(C)(C)C)cc1 ZINC000831337961 1024503784 /nfs/dbraw/zinc/50/37/84/1024503784.db2.gz CZAXBUIRGLHGAV-KRWDZBQOSA-N 0 0 377.485 3.597 20 10 GHCDRN CCO[C@@H]1C[C@@](CO)(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1(C)C ZINC001138271150 1024516316 /nfs/dbraw/zinc/51/63/16/1024516316.db2.gz FOOSDGFQENMCAS-KNQAVFIVSA-N 0 0 388.483 3.529 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@@]2(C)CCCOC2)c(C)n1-c1ccc(Cl)cn1 ZINC000837623151 1024592995 /nfs/dbraw/zinc/59/29/95/1024592995.db2.gz YHMRKVRPZZQSQM-FQEVSTJZSA-N 0 0 390.867 3.685 20 10 GHCDRN CSC1(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)CCC1 ZINC000837690507 1024635884 /nfs/dbraw/zinc/63/58/84/1024635884.db2.gz ZLEPFLWQCBDHSJ-UHFFFAOYSA-N 0 0 376.453 3.640 20 10 GHCDRN NC(=O)N=Nc1ccc(C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)cc1 ZINC001138317726 1024645124 /nfs/dbraw/zinc/64/51/24/1024645124.db2.gz HIFDZFKFQZYYJC-INIZCTEOSA-N 0 0 390.802 3.855 20 10 GHCDRN Cc1nc(C(C)C)sc1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837705202 1024648983 /nfs/dbraw/zinc/64/89/83/1024648983.db2.gz RTSSTVMMBAYEJU-UHFFFAOYSA-N 0 0 395.475 3.620 20 10 GHCDRN O=C(CC/C=C/c1ccccc1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837706156 1024649317 /nfs/dbraw/zinc/64/93/17/1024649317.db2.gz DJQVZMPVVNATLS-XBXARRHUSA-N 0 0 386.442 3.911 20 10 GHCDRN CSc1c(F)cccc1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837713854 1024658194 /nfs/dbraw/zinc/65/81/94/1024658194.db2.gz GWQLYHPTGLALMJ-UHFFFAOYSA-N 0 0 396.434 3.592 20 10 GHCDRN C[C@H]1CCCC[C@]1(C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000837714205 1024658237 /nfs/dbraw/zinc/65/82/37/1024658237.db2.gz NFOHPPDLFAEESF-BTYIYWSLSA-N 0 0 377.504 3.555 20 10 GHCDRN CO[C@H]1COCC[C@H]1CNC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C ZINC001141358583 1024697861 /nfs/dbraw/zinc/69/78/61/1024697861.db2.gz GDDFNKZKTBQLCK-UGKGYDQZSA-N 0 0 384.520 3.999 20 10 GHCDRN CCOC[C@H]1CN(Cc2ccc3c(c2)CCCN3C)Cc2ncn(CC3CC3)c21 ZINC001138355062 1024718186 /nfs/dbraw/zinc/71/81/86/1024718186.db2.gz FERZQYKASOSMNV-OAQYLSRUSA-N 0 0 394.563 3.811 20 10 GHCDRN CN1CCCc2cc(CN3CCC(F)(F)[C@@H](NC(=O)OC(C)(C)C)C3)ccc21 ZINC001138359627 1024723802 /nfs/dbraw/zinc/72/38/02/1024723802.db2.gz WXCXWYJOTNBSSG-SFHVURJKSA-N 0 0 395.494 3.803 20 10 GHCDRN CCN(CC)c1ccc(CN2CCn3cc(C(F)(F)F)nc3C2)c(OC)c1 ZINC001138388842 1024764728 /nfs/dbraw/zinc/76/47/28/1024764728.db2.gz GQMAASKOWMTZPD-UHFFFAOYSA-N 0 0 382.430 3.773 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001141375095 1024768828 /nfs/dbraw/zinc/76/88/28/1024768828.db2.gz WPOOAHADBRUSNZ-ZDUSSCGKSA-N 0 0 382.632 3.808 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1CN1CC[C@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001141377587 1024774989 /nfs/dbraw/zinc/77/49/89/1024774989.db2.gz UMLPBMWZAPYAIF-GJZGRUSLSA-N 0 0 391.712 3.816 20 10 GHCDRN FC(F)(F)c1cccc(OC2CN(Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC001138497929 1024929489 /nfs/dbraw/zinc/92/94/89/1024929489.db2.gz QXHVKFYJYXKFMF-UHFFFAOYSA-N 0 0 392.421 3.805 20 10 GHCDRN Fc1ccc(-c2ncc3c(n2)CN(Cc2ccc(N4CCOCC4)cc2)C3)cc1 ZINC001138499170 1024931911 /nfs/dbraw/zinc/93/19/11/1024931911.db2.gz AZUZVJYUTZFAQN-UHFFFAOYSA-N 0 0 390.462 3.635 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc2c(c1)nnn2C ZINC000831982412 1025086490 /nfs/dbraw/zinc/08/64/90/1025086490.db2.gz MEDBUXKPXHOMJD-UHFFFAOYSA-N 0 0 378.480 3.623 20 10 GHCDRN CN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@H](CO)c1ccc(Cl)cc1 ZINC000838486805 1025166857 /nfs/dbraw/zinc/16/68/57/1025166857.db2.gz SKTSAACYBCHUFP-HXUWFJFHSA-N 0 0 385.895 3.591 20 10 GHCDRN Cc1ncc(CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)o1 ZINC000838579446 1025219475 /nfs/dbraw/zinc/21/94/75/1025219475.db2.gz SYCCYCBZQNUWPQ-ZDUSSCGKSA-N 0 0 376.888 3.872 20 10 GHCDRN O=C(NC[C@@H]1CCCCC1(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000838638032 1025256050 /nfs/dbraw/zinc/25/60/50/1025256050.db2.gz OOODQEBFJKJCBD-DLBZAZTESA-N 0 0 382.451 3.908 20 10 GHCDRN CSCC1CCC(NC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000838652442 1025265738 /nfs/dbraw/zinc/26/57/38/1025265738.db2.gz LKRCWWXHOGVCIW-UHFFFAOYSA-N 0 0 387.343 3.876 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCc3cc(F)c(F)c(F)c32)cc1 ZINC000838694632 1025305062 /nfs/dbraw/zinc/30/50/62/1025305062.db2.gz SQXYEYRHTOHMGA-MRXNPFEDSA-N 0 0 377.410 3.999 20 10 GHCDRN C[C@H]1c2ccccc2CN1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838738550 1025338761 /nfs/dbraw/zinc/33/87/61/1025338761.db2.gz FCLTYQVKWCYTHY-AWEZNQCLSA-N 0 0 387.430 3.588 20 10 GHCDRN CN(C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@H]1CCC(C)(C)C1 ZINC000838740153 1025339731 /nfs/dbraw/zinc/33/97/31/1025339731.db2.gz SUQQOAWMJBEHRT-HNNXBMFYSA-N 0 0 381.467 3.522 20 10 GHCDRN COC1CCC([NH2+]Cc2cc(Br)cc(Br)c2[O-])CC1 ZINC000839172794 1025680351 /nfs/dbraw/zinc/68/03/51/1025680351.db2.gz QJPVYQRYWVGDHO-UHFFFAOYSA-N 0 0 393.119 3.964 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N(C)[C@H]2CCc3ccccc32)cc1 ZINC000839227812 1025742299 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Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CCC(OCc2ccccc2)CC1 ZINC001139127149 1025939576 /nfs/dbraw/zinc/93/95/76/1025939576.db2.gz FUEHLKPPPYNNDD-UHFFFAOYSA-N 0 0 379.456 3.988 20 10 GHCDRN COC(=O)c1cccc([C@@H]2CCC[N@@H+]2Cc2c([O-])ccc3c(C)cc(=O)oc32)c1 ZINC001139130169 1025943601 /nfs/dbraw/zinc/94/36/01/1025943601.db2.gz SZQLLNQBXCYLED-IBGZPJMESA-N 0 0 393.439 3.931 20 10 GHCDRN C=COc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N(CC)CC)cc2)cc1 ZINC000839461842 1025951659 /nfs/dbraw/zinc/95/16/59/1025951659.db2.gz FBESNWCDVPIFTG-UHFFFAOYSA-N 0 0 381.476 3.652 20 10 GHCDRN Cc1c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)ccc(F)c1F ZINC000839519885 1026000359 /nfs/dbraw/zinc/00/03/59/1026000359.db2.gz CYLWIOGDZNLLEJ-UHFFFAOYSA-N 0 0 389.446 3.715 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)C3=CC(=O)CS3)C2)C1 ZINC000832857265 1026040161 /nfs/dbraw/zinc/04/01/61/1026040161.db2.gz ZMAJHLOWHQXOLG-HUUCEWRRSA-N 0 0 394.537 3.953 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(F)c(F)c1C ZINC000839548461 1026042524 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Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc(-c2ccccn2)[nH]c1=O ZINC000839917847 1026345942 /nfs/dbraw/zinc/34/59/42/1026345942.db2.gz IHHODBJEOPFXAN-MRXNPFEDSA-N 0 0 390.487 3.585 20 10 GHCDRN Cc1nc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c(Br)s1 ZINC000839922615 1026349403 /nfs/dbraw/zinc/34/94/03/1026349403.db2.gz WQCFPUZOEPGHKG-NSHDSACASA-N 0 0 396.354 3.949 20 10 GHCDRN Cc1cc(C(=O)N2[C@H](C)C(=O)N[C@H](C)[C@H]2C)c(C)n1-c1cccc(C(C)C)c1 ZINC001164256344 1026466644 /nfs/dbraw/zinc/46/66/44/1026466644.db2.gz PTSPHSFZJUFIFT-JFIYKMOQSA-N 0 0 381.520 3.955 20 10 GHCDRN O=C1C[C@]2(CC[N@@H+](Cc3c(F)ccc(F)c3[O-])C2)CN1c1ccc(F)c(F)c1 ZINC001139684958 1026538353 /nfs/dbraw/zinc/53/83/53/1026538353.db2.gz SAYWANFCFMMAQE-FQEVSTJZSA-N 0 0 394.368 3.578 20 10 GHCDRN O=C1OC2(CC[NH+](Cc3c(F)ccc(F)c3[O-])CC2)c2ccc(Cl)cc21 ZINC001139688115 1026540100 /nfs/dbraw/zinc/54/01/00/1026540100.db2.gz ZTCCUPWFOBOKJE-UHFFFAOYSA-N 0 0 379.790 3.986 20 10 GHCDRN CC(C)(C)OC(=O)/C=C/c1cc(C(=O)NCc2cc(Cl)ccc2O)co1 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398.576 3.932 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NC[C@@H]1CCC[C@@H]1C1CC1 ZINC000840262060 1027390432 /nfs/dbraw/zinc/39/04/32/1027390432.db2.gz CFKVLVANGAZKCM-RBBKRZOGSA-N 0 0 385.552 3.521 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N3CCSC4(CCC4)CC3)CC2)cc1 ZINC000840284193 1027409238 /nfs/dbraw/zinc/40/92/38/1027409238.db2.gz VKLOWEPXJXLOLL-UHFFFAOYSA-N 0 0 389.565 3.735 20 10 GHCDRN Cc1ncc(Nc2ccc(N(C)CCN(C)c3ccc(N)cc3)cc2)cc1N ZINC001210293284 1027431960 /nfs/dbraw/zinc/43/19/60/1027431960.db2.gz JKROFQCZAGDJMV-UHFFFAOYSA-N 0 0 376.508 3.871 20 10 GHCDRN O=C1N(c2cccnc2)CC12CC[NH+](Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC001203580376 1027449037 /nfs/dbraw/zinc/44/90/37/1027449037.db2.gz VNWVWQFOLXVKJA-UHFFFAOYSA-N 0 0 392.286 3.723 20 10 GHCDRN C[C@H](NC(=O)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2)c1ccc(N(C)C)cc1 ZINC000840355237 1027476525 /nfs/dbraw/zinc/47/65/25/1027476525.db2.gz ZIKJZVCHXWRUOX-HJPURHCSSA-N 0 0 393.487 3.633 20 10 GHCDRN COc1ccc(CN2CC(F)(F)CC[C@@H]2CNC(=O)OC(C)(C)C)c(O)c1 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GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000840488814 1027575194 /nfs/dbraw/zinc/57/51/94/1027575194.db2.gz PDNPKMLNRBLYSB-MRXNPFEDSA-N 0 0 382.508 3.516 20 10 GHCDRN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc(C)c(O)c1O ZINC000840552934 1027611652 /nfs/dbraw/zinc/61/16/52/1027611652.db2.gz VWMQPLMNZSTCPV-HNNXBMFYSA-N 0 0 384.476 3.902 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(Cc2ccc(O)c(O)c2)C[C@@H]1c1ccccc1 ZINC001203882760 1027677548 /nfs/dbraw/zinc/67/75/48/1027677548.db2.gz UPDFYTLRSQODCU-GOSISDBHSA-N 0 0 384.476 3.892 20 10 GHCDRN CN(C)c1ccc(CN2CCc3c(c(COCC4CC4)nn3CC3CC3)C2)cc1 ZINC001203931989 1027725197 /nfs/dbraw/zinc/72/51/97/1027725197.db2.gz NDBCKLFACTUENI-UHFFFAOYSA-N 0 0 394.563 3.844 20 10 GHCDRN CN(C)c1ccc(CN2Cc3ncn(CC4CC4)c3[C@H](COCC3CC3)C2)cc1 ZINC001203931855 1027725274 /nfs/dbraw/zinc/72/52/74/1027725274.db2.gz LLIWPTUDEPXZBI-NRFANRHFSA-N 0 0 394.563 3.885 20 10 GHCDRN C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1nc2ccccc2n1C ZINC000840758217 1027795586 /nfs/dbraw/zinc/79/55/86/1027795586.db2.gz DNSVHZGMDRNEAS-CQSZACIVSA-N 0 0 386.446 3.539 20 10 GHCDRN CC[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(F)cc1[O-] ZINC000840756936 1027796196 /nfs/dbraw/zinc/79/61/96/1027796196.db2.gz FFGYMDOHTGEWII-GOSISDBHSA-N 0 0 380.410 3.887 20 10 GHCDRN Cc1ccc(F)c(NC(=S)NCc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000840840984 1027875556 /nfs/dbraw/zinc/87/55/56/1027875556.db2.gz DRSYAFKKXINAME-UHFFFAOYSA-N 0 0 395.450 3.736 20 10 GHCDRN Cc1cc(O)c(C[NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c(Cl)c1 ZINC000840882825 1027918319 /nfs/dbraw/zinc/91/83/19/1027918319.db2.gz APXOFLMWRYEDIH-KRWDZBQOSA-N 0 0 388.895 3.553 20 10 GHCDRN CC[C@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000840891341 1027927514 /nfs/dbraw/zinc/92/75/14/1027927514.db2.gz XGWIHRRUSSVBQR-ZDUSSCGKSA-N 0 0 380.337 3.955 20 10 GHCDRN COC(=O)Cc1ccccc1Nc1ccc(C(=O)Oc2ccc(N)cc2)cc1 ZINC001213061290 1027982779 /nfs/dbraw/zinc/98/27/79/1027982779.db2.gz XKTWGNPEJKHJNV-UHFFFAOYSA-N 0 0 376.412 3.947 20 10 GHCDRN CC(C)CNC(=O)c1ccc(NC(=O)NCCc2ccc(N)cc2)cc1Cl ZINC000841068310 1028087121 /nfs/dbraw/zinc/08/71/21/1028087121.db2.gz ZAPKULYKFKWBJZ-UHFFFAOYSA-N 0 0 388.899 3.672 20 10 GHCDRN CN1CCCc2cc(CNC(=O)c3c(C(F)(F)F)nc4ccccn43)ccc21 ZINC000841091608 1028117890 /nfs/dbraw/zinc/11/78/90/1028117890.db2.gz BTGQSBNWHJPUFG-UHFFFAOYSA-N 0 0 388.393 3.666 20 10 GHCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C1=CCN(C(=O)C(F)(F)F)CC1 ZINC001213732003 1028352353 /nfs/dbraw/zinc/35/23/53/1028352353.db2.gz XGWPQQGIIKZAFE-XNPKXQRKSA-N 0 0 390.369 3.601 20 10 GHCDRN Cc1nn(C)c2cc(Nc3c(CC(N)=O)cccc3C(=O)c3ccccc3)ccc12 ZINC001213762501 1028369455 /nfs/dbraw/zinc/36/94/55/1028369455.db2.gz SPJBHGRDPDQNRA-UHFFFAOYSA-N 0 0 398.466 3.884 20 10 GHCDRN COCCCN(C(=O)/C=C\c1cncc(C)c1)c1ccc(Br)cn1 ZINC000841348156 1028464530 /nfs/dbraw/zinc/46/45/30/1028464530.db2.gz BFWMYEITHPVOLF-DAXSKMNVSA-N 0 0 390.281 3.630 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)cc1 ZINC000302537432 1028570706 /nfs/dbraw/zinc/57/07/06/1028570706.db2.gz NKMLZYWBQKIINS-UHFFFAOYSA-N 0 0 376.456 3.819 20 10 GHCDRN Cc1cc(N(C)C)ccc1/C=C1\SC(=S)N(CCc2ccccn2)C1=O ZINC000841496828 1028697766 /nfs/dbraw/zinc/69/77/66/1028697766.db2.gz SQVKFNQBEMFQQP-AQTBWJFISA-N 0 0 383.542 3.900 20 10 GHCDRN COCCn1cc(-c2nc(-c3ccc(-n4c(C)ccc4C)cc3)no2)ccc1=O ZINC001214412096 1028722655 /nfs/dbraw/zinc/72/26/55/1028722655.db2.gz FDPWXEOAOHMHDR-UHFFFAOYSA-N 0 0 390.443 3.619 20 10 GHCDRN COCOc1cccc(F)c1Nc1c(N)ccc2c1C(=O)c1ccccc1C2=O ZINC001214444975 1028738924 /nfs/dbraw/zinc/73/89/24/1028738924.db2.gz VUYYOYXGXIIPBB-UHFFFAOYSA-N 0 0 392.386 3.910 20 10 GHCDRN CC(C)[C@H]([NH2+]Cc1cc(Br)cc(Br)c1[O-])C(C)(C)O ZINC001461433927 1069548174 /nfs/dbraw/zinc/54/81/74/1069548174.db2.gz SNLCTEQZFAWCSU-ZDUSSCGKSA-N 0 0 395.135 3.802 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC001142419138 1028863285 /nfs/dbraw/zinc/86/32/85/1028863285.db2.gz OQOSHUKDEYRRON-OAHLLOKOSA-N 0 0 380.467 3.951 20 10 GHCDRN C[C@H](Cc1ccc(Br)cc1)NC(=O)NCCc1ccc(N)cc1 ZINC000841712553 1028867950 /nfs/dbraw/zinc/86/79/50/1028867950.db2.gz FZTDWWRXXAEJDJ-CYBMUJFWSA-N 0 0 376.298 3.504 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1ccc2ccn(C)c(=O)c2c1 ZINC000841710026 1028868077 /nfs/dbraw/zinc/86/80/77/1028868077.db2.gz QAYDHVBBXXWRTG-MRXNPFEDSA-N 0 0 392.503 3.666 20 10 GHCDRN COc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])N2CCOCC2)cc1 ZINC000841744456 1028905859 /nfs/dbraw/zinc/90/58/59/1028905859.db2.gz NYTKAEHHNPMCMR-YWZLYKJASA-N 0 0 390.911 3.778 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NCc3cccc4c3CCCN4)CC2)cc1 ZINC000841778379 1028932585 /nfs/dbraw/zinc/93/25/85/1028932585.db2.gz ALRIKLAZESQVRR-UHFFFAOYSA-N 0 0 394.519 3.522 20 10 GHCDRN CCOc1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000841784579 1028933932 /nfs/dbraw/zinc/93/39/32/1028933932.db2.gz AGQAHULDHIQOEY-UHFFFAOYSA-N 0 0 387.455 3.725 20 10 GHCDRN CCOC(=O)c1snnc1-c1nc(-c2cccc3c(Cl)ccnc23)no1 ZINC001214859749 1028941657 /nfs/dbraw/zinc/94/16/57/1028941657.db2.gz VPVXLWCXCLYOTI-UHFFFAOYSA-N 0 0 387.808 3.633 20 10 GHCDRN CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](C[C@H]2CCOC2)C(=O)[O-])cc1 ZINC000841805607 1028952323 /nfs/dbraw/zinc/95/23/23/1028952323.db2.gz QXTKTZNMSFNHQM-IFMALSPDSA-N 0 0 382.504 3.683 20 10 GHCDRN Cc1cc(NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)nn1CC(F)(F)F ZINC000841807661 1028954463 /nfs/dbraw/zinc/95/44/63/1028954463.db2.gz RIIAQFLVPFGAKP-ZDUSSCGKSA-N 0 0 397.445 3.881 20 10 GHCDRN CN(C)c1ccc(CNCc2ccc(F)cc2I)cc1 ZINC000841855120 1028978504 /nfs/dbraw/zinc/97/85/04/1028978504.db2.gz VEHWTGXTQKHTCM-UHFFFAOYSA-N 0 0 384.236 3.786 20 10 GHCDRN CCN1CC[C@@]2(C[N@H+](Cc3cc(F)c(F)cc3[O-])C[C@@H]2c2ccccc2)C1=O ZINC001142517785 1029022832 /nfs/dbraw/zinc/02/28/32/1029022832.db2.gz ZSKGMXKOECMVPB-VGSWGCGISA-N 0 0 386.442 3.508 20 10 GHCDRN O=C1OCCN1c1cc(NCc2c(O)cccc2Br)ccc1F ZINC001461479675 1069569107 /nfs/dbraw/zinc/56/91/07/1069569107.db2.gz KFUHULWUWRCJIB-UHFFFAOYSA-N 0 0 381.201 3.863 20 10 GHCDRN Cc1cc(-c2noc(-c3ccc(O)c(O)c3O)n2)c(F)cc1Br ZINC001215325152 1029153435 /nfs/dbraw/zinc/15/34/35/1029153435.db2.gz DOPOGLZRPMAZFU-UHFFFAOYSA-N 0 0 381.157 3.730 20 10 GHCDRN COc1ccc(C(=O)c2ccccc2Nc2cc(C(N)=O)ccc2OC)cc1 ZINC001215340954 1029161928 /nfs/dbraw/zinc/16/19/28/1029161928.db2.gz NIRJWEJDWHWPMH-UHFFFAOYSA-N 0 0 376.412 3.777 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)CCSc1ccc(C)cc1 ZINC001142687979 1029268761 /nfs/dbraw/zinc/26/87/61/1029268761.db2.gz WTJNZHFZJSICLL-UHFFFAOYSA-N 0 0 387.501 3.775 20 10 GHCDRN CC(C)(C)OC(=O)NCc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000842758799 1029569033 /nfs/dbraw/zinc/56/90/33/1029569033.db2.gz GKDRVGOZSIHMGW-UHFFFAOYSA-N 0 0 387.436 3.615 20 10 GHCDRN COc1c(F)ccc(Nc2c(N)ccc3c2C(=O)c2ccccc2C3=O)c1OC ZINC001216395693 1029626242 /nfs/dbraw/zinc/62/62/42/1029626242.db2.gz WLKUTPVOYNXNMQ-UHFFFAOYSA-N 0 0 392.386 3.944 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000842874998 1029652791 /nfs/dbraw/zinc/65/27/91/1029652791.db2.gz JBORUXPMWFHARK-JKSUJKDBSA-N 0 0 384.432 3.777 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)c3ccc(-n4ccnc4)cc3)C2)cc1 ZINC000842878052 1029655462 /nfs/dbraw/zinc/65/54/62/1029655462.db2.gz GMSHCHZNQBDRDM-QGZVFWFLSA-N 0 0 377.444 3.564 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3cnc([C@H]4CCCO4)s3)C2)cc1 ZINC000842879655 1029656430 /nfs/dbraw/zinc/65/64/30/1029656430.db2.gz SGRBDSHJDSQBLO-WMLDXEAASA-N 0 0 388.489 3.687 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)CCc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000842879593 1029656442 /nfs/dbraw/zinc/65/64/42/1029656442.db2.gz RQGCHSIGJRQZFZ-QGZVFWFLSA-N 0 0 384.432 3.606 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)c3cccc([C@H]4CCOC4)c3)C2)cc1 ZINC000842880301 1029657866 /nfs/dbraw/zinc/65/78/66/1029657866.db2.gz WJMLCPMAUMOHSD-XLIONFOSSA-N 0 0 381.472 3.882 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc(CC(F)(F)F)n1Cc1ccccc1 ZINC000842967632 1029722610 /nfs/dbraw/zinc/72/26/10/1029722610.db2.gz JCHKPKITXFMBQG-UHFFFAOYSA-N 0 0 376.382 3.773 20 10 GHCDRN CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001142986549 1029757480 /nfs/dbraw/zinc/75/74/80/1029757480.db2.gz XLUILSWJWOZUAB-UHFFFAOYSA-N 0 0 378.356 3.801 20 10 GHCDRN [NH3+]CC[C@@H]1CCCCN1Cc1cc(Br)cc(Br)c1[O-] ZINC000843122370 1029817130 /nfs/dbraw/zinc/81/71/30/1029817130.db2.gz BLLVHWKPHICYDP-LBPRGKRZSA-N 0 0 392.135 3.621 20 10 GHCDRN CC(C)(C)c1cccc(CN2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)c1O ZINC001143105544 1029843329 /nfs/dbraw/zinc/84/33/29/1029843329.db2.gz ZVHCLTSLTVUJIO-JAXLGGSGSA-N 0 0 382.504 3.896 20 10 GHCDRN O=C(NCC[C@H]1CCC2(CCC2)O1)NCc1ccc(N2CCSCC2)cc1 ZINC001222345470 1030081495 /nfs/dbraw/zinc/08/14/95/1030081495.db2.gz XCKFOJCJCYPWQI-LJQANCHMSA-N 0 0 389.565 3.531 20 10 GHCDRN CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC001461619026 1069643971 /nfs/dbraw/zinc/64/39/71/1069643971.db2.gz NEPMSJWAHLCACA-NOZJJQNGSA-N 0 0 395.135 3.804 20 10 GHCDRN Cc1ccc(-c2noc(-c3ccc(O)c(CN4CCOCC4)c3)n2)cc1Cl ZINC001217056983 1030130251 /nfs/dbraw/zinc/13/02/51/1030130251.db2.gz YSOONQJJSPEMBL-UHFFFAOYSA-N 0 0 385.851 3.903 20 10 GHCDRN CCC[C@@H](CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)OCC ZINC001222590475 1030215890 /nfs/dbraw/zinc/21/58/90/1030215890.db2.gz OLBAOQCCGJBTSB-QAPCUYQASA-N 0 0 399.482 3.761 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C)CSC(F)(F)F)C2)cc1 ZINC001276832430 1030288770 /nfs/dbraw/zinc/28/87/70/1030288770.db2.gz ULOGHTBSNGZRKZ-STQMWFEESA-N 0 0 376.444 3.527 20 10 GHCDRN CC(C)(C)N1C[C@@H](C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])CC1=O ZINC001461648721 1069657685 /nfs/dbraw/zinc/65/76/85/1069657685.db2.gz NAMFZTPYBODFBL-SNVBAGLBSA-N 0 0 389.721 3.545 20 10 GHCDRN Cc1cc(C(=O)NC[C@@H](O)COCC2CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC001150174552 1030436868 /nfs/dbraw/zinc/43/68/68/1030436868.db2.gz BJAGQXMYACNKDS-OAQYLSRUSA-N 0 0 384.520 3.735 20 10 GHCDRN CCn1c(CNC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)nc2ccccc21 ZINC001223205963 1030483998 /nfs/dbraw/zinc/48/39/98/1030483998.db2.gz CVJBZAMKEKNYAR-QGZVFWFLSA-N 0 0 393.535 3.861 20 10 GHCDRN CCCCN1CC[C@]2(CCCN2Cc2cc(Br)cc(F)c2[O-])C1=O ZINC001276881434 1030525161 /nfs/dbraw/zinc/52/51/61/1030525161.db2.gz SLCSXDYKGIVWFW-GOSISDBHSA-N 0 0 399.304 3.661 20 10 GHCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)c1c[nH]c(=O)c2ccccc12 ZINC001151160093 1030787148 /nfs/dbraw/zinc/78/71/48/1030787148.db2.gz IMQARDXUIWPEEE-UHFFFAOYSA-N 0 0 379.803 3.778 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)[C@@H](C)Cc1ccc(O)c(O[C@H]2CCNC(=O)C2)c1 ZINC001218210277 1030833607 /nfs/dbraw/zinc/83/36/07/1030833607.db2.gz XRTNOZLVHYLYLH-VKJFTORMSA-N 0 0 399.487 3.518 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2Cc3ccccc3NC(=O)[C@@H]2C)cc1 ZINC001224055035 1030865883 /nfs/dbraw/zinc/86/58/83/1030865883.db2.gz JJIHCQGDEFDGSS-INIZCTEOSA-N 0 0 380.492 3.585 20 10 GHCDRN COc1cc(OC2CCC(O)CC2)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1 ZINC001218366517 1030910409 /nfs/dbraw/zinc/91/04/09/1030910409.db2.gz MUNSPNZGKPRTSH-UHFFFAOYSA-N 0 0 398.411 3.562 20 10 GHCDRN COc1cc2cc(C(=O)n3c(=N)ccc(/N=N/c4ccccc4)c3N)[nH]c2cn1 ZINC001151630763 1030959397 /nfs/dbraw/zinc/95/93/97/1030959397.db2.gz VGTBGKCEMMHYGK-KHNAKVBESA-N 0 0 387.403 3.539 20 10 GHCDRN CC(C)=CCN1CCC2(CC[NH+](Cc3cc(F)c(Cl)cc3[O-])CC2)C1=O ZINC001276967199 1030978652 /nfs/dbraw/zinc/97/86/52/1030978652.db2.gz GQNSETIVUYBDRR-UHFFFAOYSA-N 0 0 380.891 3.965 20 10 GHCDRN O=C1N(CC(F)F)CC[C@@]12CCC[N@@H+](Cc1cc(F)c(Cl)cc1[O-])CC2 ZINC001276967911 1030981488 /nfs/dbraw/zinc/98/14/88/1030981488.db2.gz VEYHJEREIYZZED-SFHVURJKSA-N 0 0 390.833 3.654 20 10 GHCDRN O=C1C[C@@]2(CN1CC(F)(F)F)CCCCN2Cc1cc(F)c(Cl)cc1O ZINC001276967939 1030981706 /nfs/dbraw/zinc/98/17/06/1030981706.db2.gz VXLMPAHKDKNVQF-MRXNPFEDSA-N 0 0 394.796 3.704 20 10 GHCDRN C[C@@H](NC(=O)[C@@]1(C)CC(c2cccc(Cl)c2F)=NO1)c1ccccc1O ZINC001151892334 1031043624 /nfs/dbraw/zinc/04/36/24/1031043624.db2.gz NYIOULDZZNOYLR-NSPYISDASA-N 0 0 376.815 3.945 20 10 GHCDRN Cc1ccc([C@@H](Cn2ccnc2)NC(=O)NCc2c(O)cccc2F)c(C)c1 ZINC001224680510 1031078039 /nfs/dbraw/zinc/07/80/39/1031078039.db2.gz APZICZQJYVHEHG-LJQANCHMSA-N 0 0 382.439 3.585 20 10 GHCDRN C[C@H](NC(=O)N[C@@]1(C)CCOc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC001225151329 1031279684 /nfs/dbraw/zinc/27/96/84/1031279684.db2.gz ZLSFHQNKPFPWJR-SBUREZEXSA-N 0 0 395.503 3.581 20 10 GHCDRN O=C(NCCCOC1CCCC1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001219188861 1031296626 /nfs/dbraw/zinc/29/66/26/1031296626.db2.gz BJTSZZWKNOXJIN-UHFFFAOYSA-N 0 0 379.464 3.867 20 10 GHCDRN CCO[C@H](CCNC(=O)Nc1c(-c2ccccn2)nc2ccccn21)C(C)C ZINC001219189933 1031297811 /nfs/dbraw/zinc/29/78/11/1031297811.db2.gz SNSUFIIWZVVZOZ-QGZVFWFLSA-N 0 0 381.480 3.969 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@@H]1CCN(CC(F)F)C1 ZINC001153097997 1031459625 /nfs/dbraw/zinc/45/96/25/1031459625.db2.gz AGSHZLWUFDPPII-KRWDZBQOSA-N 0 0 375.463 3.719 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@](C)(O)c2ccc(F)cc2)c1 ZINC001153310934 1031530771 /nfs/dbraw/zinc/53/07/71/1031530771.db2.gz MCWHESWKPPCYHC-HSZRJFAPSA-N 0 0 394.446 3.683 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@](C)(O)c2ccc(F)cc2)c1 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20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC001475402801 1074862799 /nfs/dbraw/zinc/86/27/99/1074862799.db2.gz KVFVVVGLAMVOBI-AWEZNQCLSA-N 0 0 398.931 3.904 20 10 GHCDRN Cc1cc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(C)n1-c1ccccc1 ZINC001475566938 1074916316 /nfs/dbraw/zinc/91/63/16/1074916316.db2.gz PTLPXJRFJOCIKS-UHFFFAOYSA-N 0 0 399.472 3.789 20 10 GHCDRN Cc1cc(O)c(C[NH2+][C@H](Cc2ccccc2Br)C(=O)[O-])cc1Cl ZINC001607700157 1126234279 /nfs/dbraw/zinc/23/42/79/1126234279.db2.gz VAIXXEUJQBGPRN-OAHLLOKOSA-N 0 0 398.684 3.902 20 10 GHCDRN CCCN(CC(C)C)C(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000736469172 598610006 /nfs/dbraw/zinc/61/00/06/598610006.db2.gz HOEIBMLALILIAX-UHFFFAOYSA-N 0 0 380.496 3.782 20 10 GHCDRN CCC1CCN(C(=O)c2cc(C)n(-c3ccc(-c4nn[nH]n4)cc3)c2C)CC1 ZINC000736403922 598610098 /nfs/dbraw/zinc/61/00/98/598610098.db2.gz ZGDFVYXETFMERI-UHFFFAOYSA-N 0 0 378.480 3.536 20 10 GHCDRN Cc1cc(C(=O)N2CCCCCCC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235024 598610481 /nfs/dbraw/zinc/61/04/81/598610481.db2.gz QUWPEIIEQPYUBC-UHFFFAOYSA-N 0 0 378.480 3.681 20 10 GHCDRN O=C(OCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C1=CC(=O)CS1 ZINC000738236237 598636752 /nfs/dbraw/zinc/63/67/52/598636752.db2.gz GEZSHPOEFQJSLL-UHFFFAOYSA-N 0 0 378.413 3.658 20 10 GHCDRN C[C@@H](Nc1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000736136238 598664110 /nfs/dbraw/zinc/66/41/10/598664110.db2.gz FPTCYOIKIKQDKW-CYBMUJFWSA-N 0 0 384.871 3.530 20 10 GHCDRN CN(C)c1ccc(CNc2ccc(-c3nn[nH]n3)cc2C(F)(F)F)cc1F ZINC000736779801 599522471 /nfs/dbraw/zinc/52/24/71/599522471.db2.gz MKUSAASINFLOIS-UHFFFAOYSA-N 0 0 380.349 3.703 20 10 GHCDRN O=C([O-])/C=C\c1ccc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c([N+](=O)[O-])c1 ZINC000739626349 599959533 /nfs/dbraw/zinc/95/95/33/599959533.db2.gz SGJSSMPXDVYOBP-IQBZNYMQSA-N 0 0 387.480 3.785 20 10 GHCDRN CCN(C(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000825367390 608346883 /nfs/dbraw/zinc/34/68/83/608346883.db2.gz ORRVBXFXWRCNSD-XBXARRHUSA-N 0 0 389.246 3.635 20 10 GHCDRN Oc1c(Br)cccc1CNc1ccccc1CN1CCOCC1 ZINC000120938028 837480128 /nfs/dbraw/zinc/48/01/28/837480128.db2.gz AZPGKXBJNXDRPT-UHFFFAOYSA-N 0 0 377.282 3.599 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1cccc(Br)c1 ZINC000471406963 837696185 /nfs/dbraw/zinc/69/61/85/837696185.db2.gz NCGUAAGEFOWNRO-UHFFFAOYSA-N 0 0 389.293 3.873 20 10 GHCDRN CCn1c(CN2CCCN(c3ccc(OC)cc3)CC2)nc2c1cccc2F ZINC000728569380 834471625 /nfs/dbraw/zinc/47/16/25/834471625.db2.gz FAFOOBBYJAMKKP-UHFFFAOYSA-N 0 0 382.483 3.916 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N(Cc2ccccc2)C[C@H](O)c2ccco2)cc1 ZINC000176848330 834608202 /nfs/dbraw/zinc/60/82/02/834608202.db2.gz HYIMXIUWHOBQEB-NRFANRHFSA-N 0 0 393.487 3.791 20 10 GHCDRN Cc1ccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 ZINC000161780616 834684370 /nfs/dbraw/zinc/68/43/70/834684370.db2.gz AMNYMNSUTLQFNN-HNNXBMFYSA-N 0 0 376.407 3.782 20 10 GHCDRN COc1ccc(N2CCCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)cc1 ZINC000052511644 834851577 /nfs/dbraw/zinc/85/15/77/834851577.db2.gz OOOSJPRGJCORCR-UHFFFAOYSA-N 0 0 378.432 3.868 20 10 GHCDRN O=C(OC[C@@H]1CC1(Cl)Cl)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000007091261 835048942 /nfs/dbraw/zinc/04/89/42/835048942.db2.gz OMAQJVOZSCPXIK-JTQLQIEISA-N 0 0 375.207 3.813 20 10 GHCDRN C[C@H](NC(=O)N(C)[C@H]1CCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000065698529 835057589 /nfs/dbraw/zinc/05/75/89/835057589.db2.gz QBKPBMCUQMEPQC-JTSKRJEESA-N 0 0 379.504 3.913 20 10 GHCDRN O=C(CN1CCOC[C@]12CCOC2)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588617551 835129557 /nfs/dbraw/zinc/12/95/57/835129557.db2.gz UBXZEXSEWQXSCI-OAQYLSRUSA-N 0 0 380.448 3.532 20 10 GHCDRN OC1CCN(c2ccc(CNc3ncccc3Br)cc2F)CC1 ZINC000278465321 835152942 /nfs/dbraw/zinc/15/29/42/835152942.db2.gz BSPGCDNZEMWUMP-UHFFFAOYSA-N 0 0 380.261 3.556 20 10 GHCDRN CS(=O)(=O)Cc1ccc(C(=O)Nc2cccc(N3CCCCCC3)c2)cc1 ZINC000131667370 835241054 /nfs/dbraw/zinc/24/10/54/835241054.db2.gz XMVFXDGKVQDBMN-UHFFFAOYSA-N 0 0 386.517 3.864 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3Cc4cccc(O)c4C3)ccc21 ZINC000430233820 835306848 /nfs/dbraw/zinc/30/68/48/835306848.db2.gz RTYCFXSTFRQWGN-GOSISDBHSA-N 0 0 378.472 3.507 20 10 GHCDRN O=C(c1ccc(F)cc1Cl)N1CCN(Cc2c(O)ccc3ccncc32)CC1 ZINC000748078183 835366278 /nfs/dbraw/zinc/36/62/78/835366278.db2.gz SOXSKFIKYKLZMX-UHFFFAOYSA-N 0 0 399.853 3.691 20 10 GHCDRN CC(C)Cn1nccc1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000843544164 835399815 /nfs/dbraw/zinc/39/98/15/835399815.db2.gz KZHPGPOWZOQFQE-UHFFFAOYSA-N 0 0 382.430 3.810 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N(C)[C@@H]3CCCc4c3cnn4C)cc2)CC1 ZINC000158565488 835438336 /nfs/dbraw/zinc/43/83/36/835438336.db2.gz SOMWBFHXQZNKDV-OAQYLSRUSA-N 0 0 395.551 3.875 20 10 GHCDRN Cc1cc(=O)n(C)cc1NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000162040434 835659413 /nfs/dbraw/zinc/65/94/13/835659413.db2.gz ZXPSWDOWKCYZTQ-UHFFFAOYSA-N 0 0 382.508 3.784 20 10 GHCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1noc(C2CC2)n1 ZINC000052890092 835771349 /nfs/dbraw/zinc/77/13/49/835771349.db2.gz XZUFRMRGTMSPMN-UHFFFAOYSA-N 0 0 384.461 3.894 20 10 GHCDRN CC(C)n1ncc2cc(C=CC(=O)N3CCc4ccc(Cl)cc43)c(=O)[nH]c21 ZINC000255009801 835811015 /nfs/dbraw/zinc/81/10/15/835811015.db2.gz BPPUMIYFVBMDDA-XQRVVYSFSA-N 0 0 382.851 3.974 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCO[C@H](c4ccco4)C3)c2C)cc1 ZINC000176818844 835855860 /nfs/dbraw/zinc/85/58/60/835855860.db2.gz GBVYNTMYHOUGAJ-NRFANRHFSA-N 0 0 380.444 3.909 20 10 GHCDRN CCCCOc1ccc(N(C)S(=O)(=O)CCc2ccc(N)cc2)cc1F ZINC001211615442 835937415 /nfs/dbraw/zinc/93/74/15/835937415.db2.gz OYYMCQGQQOROQH-UHFFFAOYSA-N 0 0 380.485 3.596 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H](NC(=O)c1ccc(F)cc1)C(C)C ZINC000471233785 836101227 /nfs/dbraw/zinc/10/12/27/836101227.db2.gz LSTYAEXQBGXLMY-OAQYLSRUSA-N 0 0 395.478 3.697 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1nnn(-c2ccccc2Cl)c1C ZINC000471234668 836118356 /nfs/dbraw/zinc/11/83/56/836118356.db2.gz KIWTYGLSYOFYAH-UHFFFAOYSA-N 0 0 393.878 3.959 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@H]3C3CCC3)cc2F)C[C@@H](C)O1 ZINC000728221370 836167628 /nfs/dbraw/zinc/16/76/28/836167628.db2.gz ZEMQUIOTXRDIBO-QINHECLXSA-N 0 0 389.515 3.913 20 10 GHCDRN Cc1cc(NC(=O)NCc2c(C)c3ccccc3n2C)n(C2CCOCC2)n1 ZINC000547762207 836193273 /nfs/dbraw/zinc/19/32/73/836193273.db2.gz RVIPIPYMWQDXOG-UHFFFAOYSA-N 0 0 381.480 3.665 20 10 GHCDRN Cc1cc2nc(C)c(CCC(=O)NCc3c(C)c4ccccc4n3C)c(C)n2n1 ZINC000471239102 836202821 /nfs/dbraw/zinc/20/28/21/836202821.db2.gz YYWRCPQJOPDPLL-UHFFFAOYSA-N 0 0 389.503 3.704 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3cc4c(cc(F)cc4C)[nH]3)CC2)cc1F ZINC000177279838 836241963 /nfs/dbraw/zinc/24/19/63/836241963.db2.gz RDWRWSQFNVVFHS-UHFFFAOYSA-N 0 0 385.414 3.726 20 10 GHCDRN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(F)c3F)CC2)cc1F ZINC000177282495 836243980 /nfs/dbraw/zinc/24/39/80/836243980.db2.gz XABXRPVWUXWGBW-JKSUJKDBSA-N 0 0 390.405 3.565 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Cc3c[nH]c4c3cccc4C)CC2)cc1F ZINC000177288677 836272344 /nfs/dbraw/zinc/27/23/44/836272344.db2.gz UBSKJFRLSQTLPC-UHFFFAOYSA-N 0 0 381.451 3.515 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2cccnc2OC2CCCC2)c1 ZINC000728948322 844204874 /nfs/dbraw/zinc/20/48/74/844204874.db2.gz ZPOVHCSCAHAGKC-AWEZNQCLSA-N 0 0 385.464 3.678 20 10 GHCDRN Cc1ccc(C(=O)N[C@@H](C)c2cc(F)c(Br)cc2F)c(O)c1O ZINC001167205586 836903398 /nfs/dbraw/zinc/90/33/98/836903398.db2.gz RICYJFGGTMIXNS-QMMMGPOBSA-N 0 0 386.192 3.938 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)OCc3cn4ccccc4n3)ccc21 ZINC000728638382 837174900 /nfs/dbraw/zinc/17/49/00/837174900.db2.gz JSEPBZRUCZFFNZ-UHFFFAOYSA-N 0 0 377.444 3.909 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)OCc3nccn3C(F)F)ccc21 ZINC000728638220 837181893 /nfs/dbraw/zinc/18/18/93/837181893.db2.gz ZKENOBDUXHEMJQ-UHFFFAOYSA-N 0 0 377.391 3.853 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)OCc3cc(C(=O)OC)oc3C)ccc21 ZINC000728637909 837197064 /nfs/dbraw/zinc/19/70/64/837197064.db2.gz GJTKXADVYSTNQM-UHFFFAOYSA-N 0 0 399.443 3.950 20 10 GHCDRN CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255885429 837345971 /nfs/dbraw/zinc/34/59/71/837345971.db2.gz QBDBUNKPUMVSOV-SFHVURJKSA-N 0 0 386.477 3.855 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccccc3Br)CC2)cc1F ZINC000177276096 837900951 /nfs/dbraw/zinc/90/09/51/837900951.db2.gz FDFOFSRFTRFBCU-UHFFFAOYSA-N 0 0 393.256 3.559 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N(C[C@H]2CCOC2)C2CC2)CCCC1 ZINC000651178327 838172055 /nfs/dbraw/zinc/17/20/55/838172055.db2.gz GDSYVOXCHWHKEI-MRXNPFEDSA-N 0 0 382.504 3.556 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc(C(=O)OC)c1 ZINC000175850174 838474626 /nfs/dbraw/zinc/47/46/26/838474626.db2.gz MBDUNVSVCOTECQ-UHFFFAOYSA-N 0 0 392.249 3.604 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000471517683 838667322 /nfs/dbraw/zinc/66/73/22/838667322.db2.gz GBNGJHDFHKDOPD-HNNXBMFYSA-N 0 0 379.460 3.818 20 10 GHCDRN CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000780347386 839080974 /nfs/dbraw/zinc/08/09/74/839080974.db2.gz ODBDLQSHUYHLPM-CVDCTZTESA-N 0 0 399.535 3.550 20 10 GHCDRN Cc1ccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)c(O)c1O ZINC000182590750 839112643 /nfs/dbraw/zinc/11/26/43/839112643.db2.gz XICWDTRVUDLTQV-QGZVFWFLSA-N 0 0 383.469 3.844 20 10 GHCDRN CCN(Cc1ccc(OCc2ccccc2)cc1O)[C@@H](C)CS(=O)(=O)CC ZINC000183074169 839217051 /nfs/dbraw/zinc/21/70/51/839217051.db2.gz VTRVVCMJHPFXQK-KRWDZBQOSA-N 0 0 391.533 3.616 20 10 GHCDRN CC[C@H]1C[C@@H](CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1 ZINC000378617484 839432928 /nfs/dbraw/zinc/43/29/28/839432928.db2.gz FDMOLFCQSVBHBJ-YJBOKZPZSA-N 0 0 396.478 3.968 20 10 GHCDRN Cc1cc(CN2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)ccc1N1CCCCC1 ZINC000828025568 839513561 /nfs/dbraw/zinc/51/35/61/839513561.db2.gz LZCDTQVFDHWZES-NHCUHLMSSA-N 0 0 376.566 3.527 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1ccccc1C(F)(F)F ZINC000472790267 839693296 /nfs/dbraw/zinc/69/32/96/839693296.db2.gz NAYYBKNJOJBRHX-UHFFFAOYSA-N 0 0 389.377 3.760 20 10 GHCDRN COc1ccc(N2CCN(CC(=O)Nc3ccccc3C(C)(C)C)CC2)cc1 ZINC000244537244 844490483 /nfs/dbraw/zinc/49/04/83/844490483.db2.gz ZWNLMYOEDQDGKO-UHFFFAOYSA-N 0 0 381.520 3.753 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc2c(c1)OCCO2 ZINC000175842389 840116294 /nfs/dbraw/zinc/11/62/94/840116294.db2.gz CBQNWVPILLDZJY-UHFFFAOYSA-N 0 0 392.249 3.588 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000175843674 840147767 /nfs/dbraw/zinc/14/77/67/840147767.db2.gz UYQFARYETQACBK-UHFFFAOYSA-N 0 0 380.286 3.769 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000053666393 840222100 /nfs/dbraw/zinc/22/21/00/840222100.db2.gz VFPWHKHRCRXKFK-UHFFFAOYSA-N 0 0 388.895 3.768 20 10 GHCDRN COC[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(Cl)cc1 ZINC000194460100 840298428 /nfs/dbraw/zinc/29/84/28/840298428.db2.gz LIKLRUSKTWDATM-HXUWFJFHSA-N 0 0 385.895 3.903 20 10 GHCDRN CC(C)N(C)C(=O)C1CCN(C(=O)CSc2ncc(C(C)(C)C)s2)CC1 ZINC000164022684 840455188 /nfs/dbraw/zinc/45/51/88/840455188.db2.gz KAUYZUDKSMHFPM-UHFFFAOYSA-N 0 0 397.610 3.638 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)Nc2cc(CO)ccc2C)CCCC1 ZINC000651537339 840623688 /nfs/dbraw/zinc/62/36/88/840623688.db2.gz CIONGWWNDXQDJF-UHFFFAOYSA-N 0 0 378.472 3.968 20 10 GHCDRN CC(C)Oc1cc(Br)cc(C(=O)NCCc2ccc(N)cc2)c1 ZINC000236695196 840912661 /nfs/dbraw/zinc/91/26/61/840912661.db2.gz FCFBJHIAHPZUKZ-UHFFFAOYSA-N 0 0 377.282 3.791 20 10 GHCDRN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)/C=C\c3ccc(O)c(O)c3)cc2)n1 ZINC000588405743 841023804 /nfs/dbraw/zinc/02/38/04/841023804.db2.gz OEUSQAXJFMFURR-YLBKJFSISA-N 0 0 377.444 3.791 20 10 GHCDRN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000588406256 841032460 /nfs/dbraw/zinc/03/24/60/841032460.db2.gz ZTVUXJZOXXKLJV-PPFSTCQPSA-N 0 0 381.350 3.930 20 10 GHCDRN C[C@@H]([NH2+]CCN1CCOCC1(C)C)c1cc(Br)cc(Cl)c1[O-] ZINC000756538500 841171268 /nfs/dbraw/zinc/17/12/68/841171268.db2.gz BUCXDFTXJHLAGT-LLVKDONJSA-N 0 0 391.737 3.570 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(F)cc1Cl ZINC000123065057 841377054 /nfs/dbraw/zinc/37/70/54/841377054.db2.gz RYZHBZQTPFCBPS-UHFFFAOYSA-N 0 0 377.847 3.980 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1(Cc2ccc(F)cc2)CC1 ZINC000276331201 841589464 /nfs/dbraw/zinc/58/94/64/841589464.db2.gz XYCJQPCNAZRAMU-UHFFFAOYSA-N 0 0 396.506 3.674 20 10 GHCDRN Oc1ccc(C[C@@H](O)c2nc(-c3cc(Cl)c(F)c(Cl)c3)no2)cc1O ZINC001211665286 841592161 /nfs/dbraw/zinc/59/21/61/841592161.db2.gz NISAYSGWJCGWQA-CYBMUJFWSA-N 0 0 385.178 3.870 20 10 GHCDRN Oc1ccc(C[C@@H](O)c2nc(-c3cc(C(F)(F)F)ccc3F)no2)cc1O ZINC001211665432 841597151 /nfs/dbraw/zinc/59/71/51/841597151.db2.gz RJMFARXHUBILSO-CQSZACIVSA-N 0 0 384.285 3.582 20 10 GHCDRN Oc1ccc(C[C@@H](O)c2nc(-c3ccc(Oc4ccccc4)nc3)no2)cc1O ZINC001211667836 841728512 /nfs/dbraw/zinc/72/85/12/841728512.db2.gz FVEBDGQUUWVJRQ-GOSISDBHSA-N 0 0 391.383 3.611 20 10 GHCDRN NC(=O)Cc1occc1C(=O)N(CCSc1ccc(F)cc1)c1ccccc1 ZINC000581623591 841809344 /nfs/dbraw/zinc/80/93/44/841809344.db2.gz TVWWGWMREFLCSQ-UHFFFAOYSA-N 0 0 398.459 3.886 20 10 GHCDRN Cc1[nH]c2c(cccc2C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1C ZINC000025674416 841855395 /nfs/dbraw/zinc/85/53/95/841855395.db2.gz SNLOPFJXUUYGDK-UHFFFAOYSA-N 0 0 377.488 3.894 20 10 GHCDRN CCc1nnc(SCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)n1N ZINC000255367180 842056825 /nfs/dbraw/zinc/05/68/25/842056825.db2.gz UFPMOQSBNUQHQV-UHFFFAOYSA-N 0 0 381.465 3.701 20 10 GHCDRN O=C(NCc1ccccc1O)c1cc(Br)cc(Br)c1 ZINC000222960788 842418647 /nfs/dbraw/zinc/41/86/47/842418647.db2.gz ADZRTTHIFHGKRT-UHFFFAOYSA-N 0 0 385.055 3.847 20 10 GHCDRN CCCCN(CC(N)=O)C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000255385427 842616949 /nfs/dbraw/zinc/61/69/49/842616949.db2.gz ZEUBNRVSUKTCMN-UHFFFAOYSA-N 0 0 381.480 3.896 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1ccn(CC(F)(F)F)n1 ZINC000891716927 842738056 /nfs/dbraw/zinc/73/80/56/842738056.db2.gz BCYXZJZEKYBGIB-UHFFFAOYSA-N 0 0 394.441 3.637 20 10 GHCDRN COc1cc(Cl)c(-c2noc([C@@H](O)c3ccc(N(C)C)cc3)n2)cc1OC ZINC001211704234 843022364 /nfs/dbraw/zinc/02/23/64/843022364.db2.gz 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CN(C)c1ccc(-c2nc(C(=O)NCc3cc(F)cnc3Cl)cs2)cc1 ZINC001193179396 870954810 /nfs/dbraw/zinc/95/48/10/870954810.db2.gz QSNFCIUSRMRPAP-UHFFFAOYSA-N 0 0 390.871 3.994 20 10 GHCDRN Cc1ccc([C@@H](C)NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)s1 ZINC000793849938 882460841 /nfs/dbraw/zinc/46/08/41/882460841.db2.gz PAKKYVPBZBHVRF-QGZVFWFLSA-N 0 0 399.560 3.786 20 10 GHCDRN O=C(c1ccc(O)c(O)c1Cl)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC001193232800 870962683 /nfs/dbraw/zinc/96/26/83/870962683.db2.gz PJXYTYKCVLUXSJ-UHFFFAOYSA-N 0 0 390.650 3.693 20 10 GHCDRN CC(C)N(C(=O)c1ccc(O)c(O)c1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001193233442 870963005 /nfs/dbraw/zinc/96/30/05/870963005.db2.gz YWMBAVOQVXPSEX-LBPRGKRZSA-N 0 0 398.887 3.611 20 10 GHCDRN O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)c1ccc(O)c(O)c1Cl ZINC001193230526 870990873 /nfs/dbraw/zinc/99/08/73/870990873.db2.gz UAILGXYPGHZIBE-UHFFFAOYSA-N 0 0 380.791 3.942 20 10 GHCDRN C[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000809706522 887724355 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QKGKDHYEPMZZBF-UHFFFAOYSA-N 0 0 396.406 3.551 20 10 GHCDRN CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc([N+](=O)[O-])c(OC)c1O ZINC000772177050 875734582 /nfs/dbraw/zinc/73/45/82/875734582.db2.gz KAHILCCTUMOPJD-INIZCTEOSA-N 0 0 377.784 3.549 20 10 GHCDRN NC(=O)Cc1cccc(C(=O)c2ccccc2)c1Nc1cc2ccccc2[nH]c1=O ZINC001201759117 875845584 /nfs/dbraw/zinc/84/55/84/875845584.db2.gz QWPDGRXZVYJSBN-UHFFFAOYSA-N 0 0 397.434 3.943 20 10 GHCDRN Cn1ccnc1C[C@@H]([NH2+]Cc1cccc(Br)c1[O-])c1ccccc1 ZINC000776220674 875907802 /nfs/dbraw/zinc/90/78/02/875907802.db2.gz YQAAJPRYAHFKCE-QGZVFWFLSA-N 0 0 386.293 3.962 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2ccnn2Cc2ccccn2)cc1 ZINC000772432955 875956476 /nfs/dbraw/zinc/95/64/76/875956476.db2.gz OIBVDGRNCONTNO-UHFFFAOYSA-N 0 0 392.507 3.837 20 10 GHCDRN C[C@@H](NC(=O)N1CCC(O)(Cc2cccc(F)c2)CC1)c1ccc(N(C)C)cc1 ZINC000776236732 875996692 /nfs/dbraw/zinc/99/66/92/875996692.db2.gz ATSVODHXUQXKRX-QGZVFWFLSA-N 0 0 399.510 3.732 20 10 GHCDRN COc1cc(Br)cc(CN[C@H](C(=O)OC(C)(C)C)C(C)C)c1O ZINC000776251742 876030543 /nfs/dbraw/zinc/03/05/43/876030543.db2.gz XRRSBUXNQGFYSO-AWEZNQCLSA-N 0 0 388.302 3.619 20 10 GHCDRN COc1ccc2c(c1)CCN2Cc1cc2ccccc2nc1N1CCOCC1 ZINC000772600733 876048823 /nfs/dbraw/zinc/04/88/23/876048823.db2.gz XUYKFTGXDDXGQJ-UHFFFAOYSA-N 0 0 375.472 3.643 20 10 GHCDRN COc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1NC(N)=O ZINC000785561208 876108280 /nfs/dbraw/zinc/10/82/80/876108280.db2.gz BTIMZWDQITYAMX-UHFFFAOYSA-N 0 0 399.451 3.696 20 10 GHCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c1[O-] ZINC000785614458 876149997 /nfs/dbraw/zinc/14/99/97/876149997.db2.gz JZPABJPFGGKYBQ-AWEZNQCLSA-N 0 0 375.183 3.570 20 10 GHCDRN CCOc1cccc(CNC(=O)NCc2cc(C)ccc2O)c1OC(F)F ZINC000858292377 883005498 /nfs/dbraw/zinc/00/54/98/883005498.db2.gz HTFIGLZOMUGRGP-UHFFFAOYSA-N 0 0 380.391 3.700 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC1(c2ccccc2)CCC1 ZINC000785843267 876277277 /nfs/dbraw/zinc/27/72/77/876277277.db2.gz RYDJWTCLBRVNSU-UHFFFAOYSA-N 0 0 394.515 3.759 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)[C@H]3C[C@@H]3c3c(F)cccc3F)CC2)cc1 ZINC000116015106 883014275 /nfs/dbraw/zinc/01/42/75/883014275.db2.gz CPXHPPHBIQCBGI-ROUUACIJSA-N 0 0 386.442 3.862 20 10 GHCDRN C[C@@H](N(C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1(C)CC1 ZINC000176419868 876487749 /nfs/dbraw/zinc/48/77/49/876487749.db2.gz WSWFSTVLRGMAPJ-CQSZACIVSA-N 0 0 399.457 3.872 20 10 GHCDRN CSc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108616573 876496486 /nfs/dbraw/zinc/49/64/86/876496486.db2.gz BXEBLUSNNGCREY-UHFFFAOYSA-N 0 0 397.544 3.900 20 10 GHCDRN Cc1c2cc(F)ccc2oc1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000007120292 876537005 /nfs/dbraw/zinc/53/70/05/876537005.db2.gz BOFSWJYBCNXQKB-UHFFFAOYSA-N 0 0 398.434 3.762 20 10 GHCDRN CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H]3CCCC(C)(C)C3)cc2)CC1 ZINC000786256334 876557183 /nfs/dbraw/zinc/55/71/83/876557183.db2.gz FMLADBQQIBJMMP-FQEVSTJZSA-N 0 0 385.552 3.578 20 10 GHCDRN C[C@@H](Sc1ncc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000849998346 876584139 /nfs/dbraw/zinc/58/41/39/876584139.db2.gz NLDSDJYGFRQNKC-LLVKDONJSA-N 0 0 383.926 3.752 20 10 GHCDRN COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)Sc1ncc(Cl)s1 ZINC000849999179 876585131 /nfs/dbraw/zinc/58/51/31/876585131.db2.gz OYPXKMWPMCWFGA-MRVPVSSYSA-N 0 0 385.898 3.883 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)c2ccc3c(c2)CCC=C3)cc1 ZINC000786541341 876744273 /nfs/dbraw/zinc/74/42/73/876744273.db2.gz QSIHNCMRBNVQIK-UHFFFAOYSA-N 0 0 378.472 3.527 20 10 GHCDRN Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000786585526 876772821 /nfs/dbraw/zinc/77/28/21/876772821.db2.gz WNUOMCWKBIEYPE-TZMCWYRMSA-N 0 0 382.273 3.856 20 10 GHCDRN CCSc1ccc([C@@H](C)NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000804588472 883065090 /nfs/dbraw/zinc/06/50/90/883065090.db2.gz ZJBHURUZMGZNRH-MRXNPFEDSA-N 0 0 399.560 3.667 20 10 GHCDRN Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])c1 ZINC000786574843 876806774 /nfs/dbraw/zinc/80/67/74/876806774.db2.gz HCVDZPUTWKERLE-DOMZBBRYSA-N 0 0 382.273 3.856 20 10 GHCDRN COC(=O)c1cnc([C@H](C)NCc2cc(OC)cc(C(C)(C)C)c2O)s1 ZINC000850332463 876817614 /nfs/dbraw/zinc/81/76/14/876817614.db2.gz IBRQJYOVLIUETA-NSHDSACASA-N 0 0 378.494 3.792 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)c1 ZINC000850385154 876871161 /nfs/dbraw/zinc/87/11/61/876871161.db2.gz YVLGCVHQBOEYIR-YOEHRIQHSA-N 0 0 378.314 3.698 20 10 GHCDRN C[C@@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1cc(Br)c(F)cc1[O-] ZINC000850485698 876959542 /nfs/dbraw/zinc/95/95/42/876959542.db2.gz MUZMZROISVSRLM-SSDOTTSWSA-N 0 0 394.166 3.953 20 10 GHCDRN CC[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000850518814 876990979 /nfs/dbraw/zinc/99/09/79/876990979.db2.gz ILTJFIAYFCAMKL-SNVBAGLBSA-N 0 0 394.242 3.717 20 10 GHCDRN C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000850530796 877002325 /nfs/dbraw/zinc/00/23/25/877002325.db2.gz COVTYDKXNDYYMK-LBPRGKRZSA-N 0 0 379.444 3.809 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000109386163 877012257 /nfs/dbraw/zinc/01/22/57/877012257.db2.gz FULWGGGQEALCNE-UHFFFAOYSA-N 0 0 377.444 3.519 20 10 GHCDRN C[C@@H]1CC[C@@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)C1 ZINC000776478102 877037418 /nfs/dbraw/zinc/03/74/18/877037418.db2.gz CVZHIDNMKGOUNB-SUMDDJOVSA-N 0 0 389.540 3.871 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@@H](CO)C[C@H]3C)cc2Cl)C1 ZINC000858427039 883090006 /nfs/dbraw/zinc/09/00/06/883090006.db2.gz YOCWZKPDWKSHKZ-JFIYKMOQSA-N 0 0 393.959 3.879 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1c[nH]cc1-c1ccccc1F ZINC000787070031 877127935 /nfs/dbraw/zinc/12/79/35/877127935.db2.gz LHLLPPBVGMUXBI-UHFFFAOYSA-N 0 0 397.425 3.727 20 10 GHCDRN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000180848915 883103544 /nfs/dbraw/zinc/10/35/44/883103544.db2.gz XZXUKGLNZALYMU-BWLWAFFFSA-N 0 0 385.807 3.692 20 10 GHCDRN O=C(NCc1ccccc1O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000109677540 877315235 /nfs/dbraw/zinc/31/52/35/877315235.db2.gz ZUYXUYRCLNIMHU-INIZCTEOSA-N 0 0 393.270 3.620 20 10 GHCDRN COc1ccc(N2CCCN(Cc3nc(Cc4ccccc4C)no3)CC2)cc1 ZINC000175591074 877338721 /nfs/dbraw/zinc/33/87/21/877338721.db2.gz OZTVCOGSJMTMRP-UHFFFAOYSA-N 0 0 392.503 3.690 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)C3(OC)CCC(F)(F)CC3)C2)cc1 ZINC000851098581 877405071 /nfs/dbraw/zinc/40/50/71/877405071.db2.gz HECZVABZUQTRMU-OAHLLOKOSA-N 0 0 383.435 3.659 20 10 GHCDRN C[C@H](NC(=O)c1ccc(Br)s1)c1ccc(N2CCOCC2)cc1 ZINC000109180422 877407027 /nfs/dbraw/zinc/40/70/27/877407027.db2.gz QPQDATQIRZCYDA-LBPRGKRZSA-N 0 0 395.322 3.838 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(C2CCC2)cc1 ZINC000787499452 877429245 /nfs/dbraw/zinc/42/92/45/877429245.db2.gz REUMOGFCVNGZCZ-UHFFFAOYSA-N 0 0 375.472 3.585 20 10 GHCDRN Cc1ccc(F)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1Br ZINC000787510835 877435842 /nfs/dbraw/zinc/43/58/42/877435842.db2.gz KAZLEQNFVMRXEF-JTQLQIEISA-N 0 0 382.229 3.669 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)NCC1(c2ccccc2)CCOCC1 ZINC000175667565 877439789 /nfs/dbraw/zinc/43/97/89/877439789.db2.gz NDFGEMQLAFNWQM-UHFFFAOYSA-N 0 0 394.515 3.819 20 10 GHCDRN COC(COCCNC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C)OC ZINC000787921515 877713959 /nfs/dbraw/zinc/71/39/59/877713959.db2.gz BWBORXSFXPBYEH-UHFFFAOYSA-N 0 0 388.508 3.583 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)c2ccc3ccccc3c2)cc1 ZINC000007896036 877748794 /nfs/dbraw/zinc/74/87/94/877748794.db2.gz PVFFSWSGJPXSJO-UHFFFAOYSA-N 0 0 376.456 3.721 20 10 GHCDRN O=C(c1ccncc1)c1ccccc1Nc1cnn(CCO[C@H]2CCCCO2)c1 ZINC001212956992 912276424 /nfs/dbraw/zinc/27/64/24/912276424.db2.gz MLGVBSWUAIPPAC-NRFANRHFSA-N 0 0 392.459 3.796 20 10 GHCDRN CC(C)OCC[C@@H](O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000788066005 877820394 /nfs/dbraw/zinc/82/03/94/877820394.db2.gz HEDMFWKRTLGSQU-RTBURBONSA-N 0 0 390.549 3.997 20 10 GHCDRN Cc1ccccc1C1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000788168619 877891134 /nfs/dbraw/zinc/89/11/34/877891134.db2.gz NTCCIPXPRVVSKG-UHFFFAOYSA-N 0 0 382.479 3.709 20 10 GHCDRN COc1cc(F)ccc1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000851753670 877900637 /nfs/dbraw/zinc/90/06/37/877900637.db2.gz IWCFDJQYMQPKJT-UHFFFAOYSA-N 0 0 392.496 3.645 20 10 GHCDRN CN(c1ccc(CNC(=O)N2CCc3nccnc3C2)cc1)C1CCCCC1 ZINC000852020978 878037161 /nfs/dbraw/zinc/03/71/61/878037161.db2.gz SIOYULHSFGOAJN-UHFFFAOYSA-N 0 0 379.508 3.513 20 10 GHCDRN CC(C)(C)c1ccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000852024050 878037851 /nfs/dbraw/zinc/03/78/51/878037851.db2.gz BHUASKTZTGXGOP-UHFFFAOYSA-N 0 0 395.547 3.945 20 10 GHCDRN COC(=O)[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccsc1 ZINC000788400118 878063331 /nfs/dbraw/zinc/06/33/31/878063331.db2.gz IMUFBGITWQZCLN-QGZVFWFLSA-N 0 0 396.459 3.822 20 10 GHCDRN COc1cc(OC)c2ncnc(N(Cc3ccccc3O)C[C@H]3CCCO3)c2c1 ZINC000788544972 878140372 /nfs/dbraw/zinc/14/03/72/878140372.db2.gz GMKZTPFVYBMBJZ-MRXNPFEDSA-N 0 0 395.459 3.538 20 10 GHCDRN C[C@@H](NC(=O)N1CC2(CCOCC2)[C@@H]1c1ccco1)c1ccc(N(C)C)cc1 ZINC000852261304 878183431 /nfs/dbraw/zinc/18/34/31/878183431.db2.gz PGSYIUIREPOUMX-UZLBHIALSA-N 0 0 383.492 3.970 20 10 GHCDRN C[C@@H](CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1)CC(C)(C)C ZINC000852271901 878190461 /nfs/dbraw/zinc/19/04/61/878190461.db2.gz VWOJJMQUOHOCDN-KRWDZBQOSA-N 0 0 375.557 3.909 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)N3CCc4nccnc4C3)cc2Cl)C1 ZINC000852308554 878226151 /nfs/dbraw/zinc/22/61/51/878226151.db2.gz IGJIYESRTVVNHY-HNNXBMFYSA-N 0 0 399.926 3.634 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N[C@H](C)C3CCC(F)CC3)C2)cc1 ZINC000852386326 878293469 /nfs/dbraw/zinc/29/34/69/878293469.db2.gz BVKSDZKBMOXPHK-MRLCAUJQSA-N 0 0 377.504 3.738 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)NC3CCC4(CC4(F)F)CC3)C2)cc1 ZINC000852386750 878293673 /nfs/dbraw/zinc/29/36/73/878293673.db2.gz KBOXKFMJSRJJQK-SHPPYHEDSA-N 0 0 393.478 3.789 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N3CC4(CCC4)[C@H]3c3ccco3)C2)cc1 ZINC000852447816 878328812 /nfs/dbraw/zinc/32/88/12/878328812.db2.gz DVFKDKXJCRUFGU-OXQOHEQNSA-N 0 0 381.476 3.804 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N3CC4(CCC4)[C@H]3c3ccncc3)C2)cc1 ZINC000852450719 878330991 /nfs/dbraw/zinc/33/09/91/878330991.db2.gz SVWHHRYORDEBFE-GHTZIAJQSA-N 0 0 392.503 3.606 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3nc4ccccc4s3)C2)cc1 ZINC000852454741 878334850 /nfs/dbraw/zinc/33/48/50/878334850.db2.gz JSURNCDDDRGYRP-HNNXBMFYSA-N 0 0 396.516 3.725 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)Nc2cnn(CC(F)(F)F)c2)C2CC2)cc1 ZINC000265953316 878356056 /nfs/dbraw/zinc/35/60/56/878356056.db2.gz QPBGZPAYCHDMBM-UHFFFAOYSA-N 0 0 381.402 3.708 20 10 GHCDRN CC(C)CC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)C(C)(C)C ZINC000788931302 878428197 /nfs/dbraw/zinc/42/81/97/878428197.db2.gz CSNWRZMKGPBMMD-HXUWFJFHSA-N 0 0 387.568 3.870 20 10 GHCDRN C[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788910441 878447347 /nfs/dbraw/zinc/44/73/47/878447347.db2.gz BRUIRFNDEINTFC-INIZCTEOSA-N 0 0 399.922 3.776 20 10 GHCDRN CCN(Cc1ccc(Cl)cc1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788913208 878448844 /nfs/dbraw/zinc/44/88/44/878448844.db2.gz VKJHVZDQRMJKTO-UHFFFAOYSA-N 0 0 399.922 3.605 20 10 GHCDRN COc1ccc(N2CCN(C(=O)NC3CCC4(CC4(F)F)CC3)CC2)cc1F ZINC000852607701 878464758 /nfs/dbraw/zinc/46/47/58/878464758.db2.gz MAGJGGDCQNHNPS-UHFFFAOYSA-N 0 0 397.441 3.634 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)OCc3nccc(OC)c3OC)ccc21 ZINC000789047494 878529143 /nfs/dbraw/zinc/52/91/43/878529143.db2.gz QVQZSIXUVUUNNR-UHFFFAOYSA-N 0 0 398.459 3.674 20 10 GHCDRN C[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1nc2ccccc2[nH]1 ZINC000068479311 878608749 /nfs/dbraw/zinc/60/87/49/878608749.db2.gz PHJCKXONNSFCRP-HOTGVXAUSA-N 0 0 393.491 3.521 20 10 GHCDRN C[C@H](NC(=O)NCCc1c[nH]c2ccccc12)c1ccc(N2CCOCC2)cc1 ZINC000068479607 878610974 /nfs/dbraw/zinc/61/09/74/878610974.db2.gz DEYVLSVBMJFUMR-KRWDZBQOSA-N 0 0 392.503 3.607 20 10 GHCDRN C[C@@H](NC(=O)Nc1cccc2cccnc21)c1ccc(N2CCOCC2)cc1 ZINC000068482507 878613514 /nfs/dbraw/zinc/61/35/14/878613514.db2.gz GMHVUOLBGAGQOH-MRXNPFEDSA-N 0 0 376.460 3.954 20 10 GHCDRN Cc1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000068481639 878613882 /nfs/dbraw/zinc/61/38/82/878613882.db2.gz UPAVHGGATFGMBG-OAHLLOKOSA-N 0 0 384.436 3.623 20 10 GHCDRN COc1cccc(CNC(=O)CCCOc2ccccc2Br)c1O ZINC000068489288 878631801 /nfs/dbraw/zinc/63/18/01/878631801.db2.gz ONQRGLSVWCBCLM-UHFFFAOYSA-N 0 0 394.265 3.639 20 10 GHCDRN COc1cccc(CNC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)c1O ZINC000068489295 878631849 /nfs/dbraw/zinc/63/18/49/878631849.db2.gz LSUZSVKIEYYJHG-UHFFFAOYSA-N 0 0 399.878 3.716 20 10 GHCDRN COc1cccc2cc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)oc21 ZINC000068513265 878656219 /nfs/dbraw/zinc/65/62/19/878656219.db2.gz ZOKZOZKBMDPFEQ-OAHLLOKOSA-N 0 0 380.444 3.769 20 10 GHCDRN Cc1ccc2c(CC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)coc2c1 ZINC000068512617 878656267 /nfs/dbraw/zinc/65/62/67/878656267.db2.gz QVMFPXPVNNHMBM-KRWDZBQOSA-N 0 0 378.472 3.998 20 10 GHCDRN CCOc1ccccc1CCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000068535878 878687565 /nfs/dbraw/zinc/68/75/65/878687565.db2.gz OODCYNTWGSJDMP-UHFFFAOYSA-N 0 0 382.504 3.513 20 10 GHCDRN O[C@H](CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)c1ccccn1 ZINC000853062835 878781704 /nfs/dbraw/zinc/78/17/04/878781704.db2.gz VEOAMMJPYHLDSJ-FXAWDEMLSA-N 0 0 381.501 3.950 20 10 GHCDRN CCn1cccc(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)c1=O ZINC000789295818 878810098 /nfs/dbraw/zinc/81/00/98/878810098.db2.gz YUSXYMVVVOHRRY-UHFFFAOYSA-N 0 0 383.492 3.618 20 10 GHCDRN Cc1c(C(=O)NCc2ccc(N(C)C)c(F)c2)cnn1-c1ccc(F)cc1F ZINC000746803208 878907174 /nfs/dbraw/zinc/90/71/74/878907174.db2.gz PPCVKBJTSVICNA-UHFFFAOYSA-N 0 0 388.393 3.594 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CCC(CCC(=O)OC(C)(C)C)CC2)cc1 ZINC000853245379 878929703 /nfs/dbraw/zinc/92/97/03/878929703.db2.gz XZSNJUASJLRKAB-UHFFFAOYSA-N 0 0 389.540 3.796 20 10 GHCDRN Cc1noc2nc(C(C)C)cc(C(=O)NCc3ccc4c(c3)CCCN4C)c12 ZINC000746811859 878933016 /nfs/dbraw/zinc/93/30/16/878933016.db2.gz OMNJPTSCSFOEML-UHFFFAOYSA-N 0 0 378.476 3.967 20 10 GHCDRN CC1(C)Cc2cccc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2O1 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20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000789758332 879237285 /nfs/dbraw/zinc/23/72/85/879237285.db2.gz QZNTWXBCLJGEHB-UHFFFAOYSA-N 0 0 375.494 3.524 20 10 GHCDRN Cc1nc(Cl)ccc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 ZINC000789758409 879237647 /nfs/dbraw/zinc/23/76/47/879237647.db2.gz RZYFUMZXVGOAOJ-UHFFFAOYSA-N 0 0 386.883 3.930 20 10 GHCDRN CCc1nc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)sc1C ZINC000789759074 879238468 /nfs/dbraw/zinc/23/84/68/879238468.db2.gz WTNSYQPWZZODGC-UHFFFAOYSA-N 0 0 386.521 3.758 20 10 GHCDRN COc1cccc(CNC(=O)CCCc2cccc(Br)c2)c1O ZINC000761542946 879255495 /nfs/dbraw/zinc/25/54/95/879255495.db2.gz DBTFGBKQDNCCPL-UHFFFAOYSA-N 0 0 378.266 3.802 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](c1cccs1)C1(CO)CCC1 ZINC000853749430 879261139 /nfs/dbraw/zinc/26/11/39/879261139.db2.gz RWSRJBDOOGTEHN-LJQANCHMSA-N 0 0 387.549 3.826 20 10 GHCDRN COc1ccc(N2CC[C@@H](Nc3nc(-c4cccnc4)nc(C)c3C)C2)cc1 ZINC000853759110 879264712 /nfs/dbraw/zinc/26/47/12/879264712.db2.gz 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O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000180839392 879404380 /nfs/dbraw/zinc/40/43/80/879404380.db2.gz YRQXLXQINWCVND-WEVVVXLNSA-N 0 0 380.375 3.863 20 10 GHCDRN C[C@H](NC(=O)NCCCSc1nccs1)c1ccccc1-n1cccn1 ZINC000152596619 879434263 /nfs/dbraw/zinc/43/42/63/879434263.db2.gz HDIDDTWXHGSVQT-AWEZNQCLSA-N 0 0 387.534 3.871 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC4(COC4)C3)cc2Cl)C1 ZINC000854039013 879466170 /nfs/dbraw/zinc/46/61/70/879466170.db2.gz KLEINMVEJHXTGG-HNNXBMFYSA-N 0 0 377.916 3.508 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1noc(-c2ccccc2C)n1 ZINC000854105763 879539422 /nfs/dbraw/zinc/53/94/22/879539422.db2.gz IIBPTUJRDRBEQZ-UHFFFAOYSA-N 0 0 393.491 3.843 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCc3cnn(C(C)C)c3C2)cc1 ZINC000790227534 879558464 /nfs/dbraw/zinc/55/84/64/879558464.db2.gz LBUFNAHSWFKCOP-IBGZPJMESA-N 0 0 383.540 3.667 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)c1 ZINC000170900747 879572893 /nfs/dbraw/zinc/57/28/93/879572893.db2.gz BKKWHBXDGBMRGI-DLBZAZTESA-N 0 0 396.487 3.556 20 10 GHCDRN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000790415160 879695360 /nfs/dbraw/zinc/69/53/60/879695360.db2.gz AHKHCDZLACYVLL-UHFFFAOYSA-N 0 0 375.368 3.697 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N3CCc4c5ccccc5[nH]c4C3)C2)cc1 ZINC000854300183 879703572 /nfs/dbraw/zinc/70/35/72/879703572.db2.gz WGGJSXDKFGPGLK-INIZCTEOSA-N 0 0 390.487 3.523 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@H](C(F)(F)F)C3(C)C)C2)cc1 ZINC000854299285 879703752 /nfs/dbraw/zinc/70/37/52/879703752.db2.gz NCMZEVJYELPSAV-CJNGLKHVSA-N 0 0 385.430 3.646 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N(Cc3ccccc3OC)C3CC3)C2)cc1 ZINC000854300907 879705002 /nfs/dbraw/zinc/70/50/02/879705002.db2.gz DAKAURQMKZMQPS-SFHVURJKSA-N 0 0 395.503 3.657 20 10 GHCDRN COCCCOc1ccccc1NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854302366 879706239 /nfs/dbraw/zinc/70/62/39/879706239.db2.gz ZRFSRQAZUCPGOZ-KRWDZBQOSA-N 0 0 399.491 3.511 20 10 GHCDRN COc1ccc(CN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C2CC2)cc1 ZINC000854302613 879706357 /nfs/dbraw/zinc/70/63/57/879706357.db2.gz MPQUBLYOKYRPGH-SFHVURJKSA-N 0 0 395.503 3.657 20 10 GHCDRN Cc1cc(CC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c(C)n1-c1ccccc1 ZINC000854422012 879802819 /nfs/dbraw/zinc/80/28/19/879802819.db2.gz MXLGDWMSILLMDK-IEBWSBKVSA-N 0 0 394.437 3.656 20 10 GHCDRN C[C@@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000914400500 879823741 /nfs/dbraw/zinc/82/37/41/879823741.db2.gz MVBHRJXYUONWPO-HZPDHXFCSA-N 0 0 398.463 3.553 20 10 GHCDRN CO[C@H]1CCOc2c(NC(=O)NCc3ccc4c(c3)CCCN4C)cccc21 ZINC000790579831 879867101 /nfs/dbraw/zinc/86/71/01/879867101.db2.gz MVBKANDUIRVWBE-FQEVSTJZSA-N 0 0 381.476 3.861 20 10 GHCDRN CC[C@@H](C)CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000790675892 879903547 /nfs/dbraw/zinc/90/35/47/879903547.db2.gz HHANBDHIPSIKQM-QAPCUYQASA-N 0 0 377.529 3.871 20 10 GHCDRN O=S(=O)(Nc1ccc(O)c(Cl)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000776748667 879910790 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3.811 20 10 GHCDRN CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000112875357 880193210 /nfs/dbraw/zinc/19/32/10/880193210.db2.gz QVOSKCAXPQAZOB-UHFFFAOYSA-N 0 0 381.476 3.760 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)Cc3cccc(OC)c3Cl)C2)cc1 ZINC000854980625 880194265 /nfs/dbraw/zinc/19/42/65/880194265.db2.gz DNISKVLDXVDSJW-HNNXBMFYSA-N 0 0 388.895 3.542 20 10 GHCDRN CC(C)(C)n1cc(Br)c(C(=O)NCc2cc(Cl)ccc2O)n1 ZINC000855022985 880219771 /nfs/dbraw/zinc/21/97/71/880219771.db2.gz OGSMRJHHGOGDPR-UHFFFAOYSA-N 0 0 386.677 3.690 20 10 GHCDRN CN(CCOc1ccccc1Cl)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000746985060 880248651 /nfs/dbraw/zinc/24/86/51/880248651.db2.gz KYMUGDUFQBQJJQ-UHFFFAOYSA-N 0 0 387.911 3.943 20 10 GHCDRN Cc1cc(C(=O)N[C@H](c2nccn2C)C(C)(C)CO)c(C)n1-c1ccccc1C ZINC000855115403 880273093 /nfs/dbraw/zinc/27/30/93/880273093.db2.gz UXJIDPWLIKRKIW-HXUWFJFHSA-N 0 0 394.519 3.626 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1ccccc1OC ZINC000791246683 880282630 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CC(=O)c1ccccc1OCCOC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000914612808 884345997 /nfs/dbraw/zinc/34/59/97/884345997.db2.gz AKLKQVGRTFROMF-UHFFFAOYSA-N 0 0 378.428 3.928 20 10 GHCDRN Nc1ccc(CCNC(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000841960382 884347133 /nfs/dbraw/zinc/34/71/33/884347133.db2.gz OMXIPKLKEIEHLR-INIZCTEOSA-N 0 0 394.302 3.981 20 10 GHCDRN CCOc1ccc(C(=O)COC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1 ZINC000914613682 884351635 /nfs/dbraw/zinc/35/16/35/884351635.db2.gz IKHPSQFFUXBNIL-UHFFFAOYSA-N 0 0 378.428 3.928 20 10 GHCDRN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897689997 884383901 /nfs/dbraw/zinc/38/39/01/884383901.db2.gz MMWOWKJBTVRTBW-QXMXGUDHSA-N 0 0 383.473 3.597 20 10 GHCDRN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897691517 884387757 /nfs/dbraw/zinc/38/77/57/884387757.db2.gz MMKYGZXBDKCBNJ-KGLIPLIRSA-N 0 0 381.457 3.507 20 10 GHCDRN COC(=O)N(C)Cc1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1 ZINC000117265826 884395313 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COC(=O)c1ccc(OC(=O)c2cc(C)n(-c3ccccn3)c2C)c(OC)c1 ZINC000914847009 884930013 /nfs/dbraw/zinc/93/00/13/884930013.db2.gz HYICHXNFMKYYJX-UHFFFAOYSA-N 0 0 380.400 3.504 20 10 GHCDRN Cc1cc(C(=O)N2CCN(Cc3ccccc3C)CC2)c(C)n1-c1ccccn1 ZINC000914847198 884933340 /nfs/dbraw/zinc/93/33/40/884933340.db2.gz YCCMGJFLUCTTRY-UHFFFAOYSA-N 0 0 388.515 3.756 20 10 GHCDRN CCc1ccc(NC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)cc1Cl ZINC000806846734 885023424 /nfs/dbraw/zinc/02/34/24/885023424.db2.gz VSVYELSNPBRARH-UHFFFAOYSA-N 0 0 387.911 3.956 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc3c([nH]c(=O)cc3C(F)(F)F)o2)c1 ZINC000761967954 885071542 /nfs/dbraw/zinc/07/15/42/885071542.db2.gz RDBRKDDPFKRWQV-MRVPVSSYSA-N 0 0 396.321 3.757 20 10 GHCDRN CC(C)(C)C(=O)NCCCC(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001183937607 912893996 /nfs/dbraw/zinc/89/39/96/912893996.db2.gz XFILHVYPONLKFS-KFCCLYJXSA-N 0 0 382.468 3.548 20 10 GHCDRN Cc1cc(C(=O)N2CCOC[C@@H]2C)c(C)n1-c1ccc(Br)cc1 ZINC000914879232 885100064 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COc1ccc(N2CCN(C(=O)Nc3cc(Cl)ccc3OC)CC2)cc1 ZINC000008679832 886064213 /nfs/dbraw/zinc/06/42/13/886064213.db2.gz QIYYSXDOKKTSKB-UHFFFAOYSA-N 0 0 375.856 3.711 20 10 GHCDRN Cc1cc(CC(=O)N[C@@H](C)c2nc(C(F)(F)F)no2)c(C)n1-c1ccccc1 ZINC000862033189 886068933 /nfs/dbraw/zinc/06/89/33/886068933.db2.gz JJTLNPKGQCCRKQ-LBPRGKRZSA-N 0 0 392.381 3.916 20 10 GHCDRN COc1cc(C)cc(CN2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)c1O ZINC000808241788 886179698 /nfs/dbraw/zinc/17/96/98/886179698.db2.gz MFVHQWIURPACKM-ZDUSSCGKSA-N 0 0 385.386 3.924 20 10 GHCDRN Cc1cc(CC(=O)N[C@@H](C)c2nnc3n2CCC3)c(C)n1-c1ccc(Cl)cc1 ZINC000915263932 886183931 /nfs/dbraw/zinc/18/39/31/886183931.db2.gz ARANIXVRHLADKG-AWEZNQCLSA-N 0 0 397.910 3.705 20 10 GHCDRN O=C(CC[C@@H]1CCCCO1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000110307753 886192794 /nfs/dbraw/zinc/19/27/94/886192794.db2.gz RZCPYJLVJCCYSF-KRWDZBQOSA-N 0 0 382.451 3.722 20 10 GHCDRN CN(Cc1ccccc1O)Cc1ccc(Br)nc1Br ZINC001142750207 886215561 /nfs/dbraw/zinc/21/55/61/886215561.db2.gz MOEZHVKUBIIWAS-UHFFFAOYSA-N 0 0 386.087 3.944 20 10 GHCDRN C[C@H](NC(=O)C1(c2cccnc2)CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000808305258 886236124 /nfs/dbraw/zinc/23/61/24/886236124.db2.gz MNWWMTBEZZBFKY-SFHVURJKSA-N 0 0 379.504 3.607 20 10 GHCDRN COC(=O)[C@H](NCc1cc(F)c(N(C)C)cc1F)c1ccc(OC)c(Cl)c1 ZINC000862331167 886296057 /nfs/dbraw/zinc/29/60/57/886296057.db2.gz HIUWLFXJCALWGT-GOSISDBHSA-N 0 0 398.837 3.697 20 10 GHCDRN [O-]c1c(Br)cccc1C[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000808427154 886313015 /nfs/dbraw/zinc/31/30/15/886313015.db2.gz XISYTDSQWKETII-CQSZACIVSA-N 0 0 390.199 3.997 20 10 GHCDRN Cc1c(C(=O)NCc2ccc(N3CCOCC3)cc2)sc2nccc(C)c12 ZINC000919765827 886321691 /nfs/dbraw/zinc/32/16/91/886321691.db2.gz LFXCQONNXCEVRX-UHFFFAOYSA-N 0 0 381.501 3.680 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2ccccc2S(C)(=O)=O)cc1 ZINC000915336736 886356540 /nfs/dbraw/zinc/35/65/40/886356540.db2.gz FPKMKWOZSUDQHX-UHFFFAOYSA-N 0 0 389.521 3.600 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2cccc(C(=O)NC)c2C)cc1 ZINC000915344086 886381061 /nfs/dbraw/zinc/38/10/61/886381061.db2.gz OHZVJFWIMRAQAH-UHFFFAOYSA-N 0 0 382.508 3.865 20 10 GHCDRN COC(=O)c1cnc(C2CC[NH+](Cc3cc(Cl)c(F)cc3[O-])CC2)s1 ZINC000862474043 886397334 /nfs/dbraw/zinc/39/73/34/886397334.db2.gz LRHBFOLWNHLONX-UHFFFAOYSA-N 0 0 384.860 3.807 20 10 GHCDRN CC(=O)C(=O)COC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000808496852 886410712 /nfs/dbraw/zinc/41/07/12/886410712.db2.gz KBSDRVDYRHPFPE-UHFFFAOYSA-N 0 0 396.830 3.567 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)[C@@H]2CCCN(CC(F)(F)F)C2)C2CC2)cc1 ZINC000919812269 886433719 /nfs/dbraw/zinc/43/37/19/886433719.db2.gz ZCTYJAMNXULPIN-MRXNPFEDSA-N 0 0 383.458 3.518 20 10 GHCDRN CC(C)(C)c1ccc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)s1 ZINC000119048236 886571190 /nfs/dbraw/zinc/57/11/90/886571190.db2.gz NEFVHAWYSYMYEF-WYMLVPIESA-N 0 0 396.603 3.579 20 10 GHCDRN Cc1nnc(SCC(=O)NCc2cc(C)ccc2O)n1-c1cc(C)ccc1C ZINC000862761129 886588849 /nfs/dbraw/zinc/58/88/49/886588849.db2.gz FPQOCBGAEMQPDR-UHFFFAOYSA-N 0 0 396.516 3.615 20 10 GHCDRN CC(C)CCSCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000919882972 886723736 /nfs/dbraw/zinc/72/37/36/886723736.db2.gz YQDUZBWZZARGLG-IYBDPMFKSA-N 0 0 382.545 3.835 20 10 GHCDRN CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000808737452 886751059 /nfs/dbraw/zinc/75/10/59/886751059.db2.gz LQRJIYSUHPHWCZ-NQIIRXRSSA-N 0 0 397.519 3.569 20 10 GHCDRN CC(C)Oc1nccnc1NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000762801798 886834528 /nfs/dbraw/zinc/83/45/28/886834528.db2.gz RXAMOMLFUCRPGF-UHFFFAOYSA-N 0 0 378.423 3.946 20 10 GHCDRN CN(Cc1ccccc1O)c1ncnc2cccc(I)c21 ZINC000762805054 886836249 /nfs/dbraw/zinc/83/62/49/886836249.db2.gz LEQOYGLGGSWVSU-UHFFFAOYSA-N 0 0 391.212 3.576 20 10 GHCDRN O=S(=O)(c1ccc(Cl)cc1F)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000119313932 886896651 /nfs/dbraw/zinc/89/66/51/886896651.db2.gz POHAVQWLBNWBAR-HNNXBMFYSA-N 0 0 399.871 3.555 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(-c2nc(C)co2)c1 ZINC000125760050 886898346 /nfs/dbraw/zinc/89/83/46/886898346.db2.gz NSIYARHUDBITFR-UHFFFAOYSA-N 0 0 393.443 3.733 20 10 GHCDRN Cc1cc(CNC(=O)c2ccn(C3CCOCC3)n2)c(C)n1-c1ccccc1 ZINC000863162747 886899055 /nfs/dbraw/zinc/89/90/55/886899055.db2.gz XXPZKKNRJZNXQZ-UHFFFAOYSA-N 0 0 378.476 3.572 20 10 GHCDRN Cc1cc(CNC(=O)c2ccnn2C2CCOCC2)c(C)n1-c1ccccc1 ZINC000863163420 886900187 /nfs/dbraw/zinc/90/01/87/886900187.db2.gz BWLGDHYVXDQCHL-UHFFFAOYSA-N 0 0 378.476 3.572 20 10 GHCDRN Cc1cc(CNC(=O)c2ccnn2CC(F)(F)F)c(C)n1-c1ccccc1 ZINC000863164064 886900229 /nfs/dbraw/zinc/90/02/29/886900229.db2.gz ZBVCKSHNUVKECF-UHFFFAOYSA-N 0 0 376.382 3.783 20 10 GHCDRN Cc1cc(CNC(=O)[C@H](C)Cc2c(C)nn(C)c2C)c(C)n1-c1ccccc1 ZINC000863165639 886901725 /nfs/dbraw/zinc/90/17/25/886901725.db2.gz IXMUZPTUIGSHTE-OAHLLOKOSA-N 0 0 378.520 3.939 20 10 GHCDRN c1cc(NCc2ccc(N3CCOCC3)cc2)cc(-c2n[nH]c(C3CC3)n2)c1 ZINC000119398090 887008792 /nfs/dbraw/zinc/00/87/92/887008792.db2.gz GTGDTMYIRLRKRL-UHFFFAOYSA-N 0 0 375.476 3.798 20 10 GHCDRN Cc1cc(C(=O)N(C)C[C@H]2C[C@@H](O)C2)c(C)n1-c1cccc(Br)c1 ZINC000863385533 887076144 /nfs/dbraw/zinc/07/61/44/887076144.db2.gz DHTNQQBGGPMXMI-KDYLLFBJSA-N 0 0 391.309 3.700 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cc(-c2ccccc2)ns1 ZINC000747547900 887194146 /nfs/dbraw/zinc/19/41/46/887194146.db2.gz ROVJDMLERZSMJF-UHFFFAOYSA-N 0 0 394.500 3.968 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(OCCOC)nc2)cc1 ZINC000915701033 887332438 /nfs/dbraw/zinc/33/24/38/887332438.db2.gz BQFVEUVASNYUCP-UHFFFAOYSA-N 0 0 386.496 3.617 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(N2CCCCC2)ncn1 ZINC000863941805 887475160 /nfs/dbraw/zinc/47/51/60/887475160.db2.gz MMZWVDKXKVXWGZ-UHFFFAOYSA-N 0 0 381.524 3.584 20 10 GHCDRN COc1cc(Br)cc([C@H](C)Nc2cccc(-n3nccn3)c2)c1O ZINC000864024497 887522059 /nfs/dbraw/zinc/52/20/59/887522059.db2.gz YPJNKDRMKKCIIF-NSHDSACASA-N 0 0 389.253 3.917 20 10 GHCDRN C[C@H](Nc1cccc(-n2nccn2)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000864023943 887522145 /nfs/dbraw/zinc/52/21/45/887522145.db2.gz SYUATFOYWAACSA-HNNXBMFYSA-N 0 0 383.883 3.930 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000763081254 887634234 /nfs/dbraw/zinc/63/42/34/887634234.db2.gz JJMJTVOAKUIHMZ-SQNIBIBYSA-N 0 0 379.595 3.664 20 10 GHCDRN CC(C)n1cc(CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)nn1 ZINC000809636380 887639444 /nfs/dbraw/zinc/63/94/44/887639444.db2.gz WYDHETHDNKWSBE-UHFFFAOYSA-N 0 0 385.512 3.837 20 10 GHCDRN CCN(CC)c1ccc(CN2CC[C@@](C(=O)OC)(C(F)(F)F)C2)cc1F ZINC000809697055 887676266 /nfs/dbraw/zinc/67/62/66/887676266.db2.gz VOCOPGQPONEWKO-QGZVFWFLSA-N 0 0 376.394 3.599 20 10 GHCDRN CCn1cnnc1-c1ccccc1NC(=O)NCCCSc1nccs1 ZINC000153753591 887694333 /nfs/dbraw/zinc/69/43/33/887694333.db2.gz DWLTZGGCKFHXAH-UHFFFAOYSA-N 0 0 388.522 3.725 20 10 GHCDRN Cc1cc(C)cc(-n2ncc(CNCc3cc(Br)ccc3O)n2)c1 ZINC000809712786 887734070 /nfs/dbraw/zinc/73/40/70/887734070.db2.gz FDLFFUGPXLDFMA-UHFFFAOYSA-N 0 0 387.281 3.642 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000053518471 887738519 /nfs/dbraw/zinc/73/85/19/887738519.db2.gz KZISAGZAOOZACC-UHFFFAOYSA-N 0 0 385.508 3.544 20 10 GHCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 ZINC000015134655 887769709 /nfs/dbraw/zinc/76/97/09/887769709.db2.gz ABNGEJQHVWKUNL-GOSISDBHSA-N 0 0 399.922 3.575 20 10 GHCDRN CCOC(=O)c1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)o1 ZINC000809742650 887776303 /nfs/dbraw/zinc/77/63/03/887776303.db2.gz CHRWFLRTVZKTRY-UHFFFAOYSA-N 0 0 387.436 3.645 20 10 GHCDRN COc1ccc(O)c(CNC(=O)N[C@@H](c2cccc(C)c2)c2ccccn2)c1 ZINC000133591676 887778981 /nfs/dbraw/zinc/77/89/81/887778981.db2.gz RORMQZGOKFHBCJ-NRFANRHFSA-N 0 0 377.444 3.693 20 10 GHCDRN O=C1OC(c2cccnc2)=N/C1=C/c1ccc2c(c1)CCN2Cc1ccccc1 ZINC000794688278 887786104 /nfs/dbraw/zinc/78/61/04/887786104.db2.gz LFSKFIYRFDYAKX-KGENOOAVSA-N 0 0 381.435 3.989 20 10 GHCDRN CN(C)c1cc(F)c(C[NH2+]CCC[C@@H](Cc2ccccc2)C(=O)[O-])cc1F ZINC000864505928 887812294 /nfs/dbraw/zinc/81/22/94/887812294.db2.gz WWDYEWISDZODGY-INIZCTEOSA-N 0 0 376.447 3.844 20 10 GHCDRN Cc1cc(-c2nnc(N(C[C@@H]3CCOC3)C3CC3)n2C)c(C)n1-c1ccccc1 ZINC000809807230 887818158 /nfs/dbraw/zinc/81/81/58/887818158.db2.gz MJLOZHUJVOZUOK-SFHVURJKSA-N 0 0 391.519 3.895 20 10 GHCDRN C[C@@H]1CN(Cc2cccc(Br)c2O)c2ccccc2N(C)C1=O ZINC000809786343 887837905 /nfs/dbraw/zinc/83/79/05/887837905.db2.gz YSJKDEXHBHJTRK-GFCCVEGCSA-N 0 0 375.266 3.774 20 10 GHCDRN COc1ccc(N2CCCN(c3nnc(-c4ccccc4C)n3C)CC2)cc1 ZINC000809868411 887892320 /nfs/dbraw/zinc/89/23/20/887892320.db2.gz JLXQXLJKUJOOMA-UHFFFAOYSA-N 0 0 377.492 3.516 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)Cc2csc(COc3ccccc3)n2)cc1 ZINC000864634602 887897847 /nfs/dbraw/zinc/89/78/47/887897847.db2.gz RWPYGZUYEKUXHS-UHFFFAOYSA-N 0 0 395.528 3.989 20 10 GHCDRN COc1ccc(N2CCN(C(=O)C[C@@H]3CCCc4ccccc43)CC2)c(OC)c1 ZINC001132032298 888124754 /nfs/dbraw/zinc/12/47/54/888124754.db2.gz RIYGKPSFOYLJHL-IBGZPJMESA-N 0 0 394.515 3.863 20 10 GHCDRN C[C@@H](NC(=O)c1ccc(C2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000865018179 888138438 /nfs/dbraw/zinc/13/84/38/888138438.db2.gz HLXLCPJTBSQXBK-GOSISDBHSA-N 0 0 394.515 3.908 20 10 GHCDRN O=[N+]([O-])c1cc(CNc2nnc([C@@H]3CCCO3)s2)ccc1N1CCCCC1 ZINC000865295473 888292443 /nfs/dbraw/zinc/29/24/43/888292443.db2.gz FWJOOGXBRQHXSQ-INIZCTEOSA-N 0 0 389.481 3.900 20 10 GHCDRN O=C(NCCCSc1nccs1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000120522528 888323207 /nfs/dbraw/zinc/32/32/07/888323207.db2.gz TXCQJXRFPSBNND-INIZCTEOSA-N 0 0 376.551 3.911 20 10 GHCDRN COc1ccc(C[C@](C)(O)C[NH2+][C@@H](C)c2cc(Cl)ccc2O)cc1OC ZINC000810255353 888358413 /nfs/dbraw/zinc/35/84/13/888358413.db2.gz JSAGLFOWWKHTCL-RBZFPXEDSA-N 0 0 379.884 3.707 20 10 GHCDRN COC(=O)c1c(F)ccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1F ZINC000810337201 888407925 /nfs/dbraw/zinc/40/79/25/888407925.db2.gz KSMHIRAQLKGQEM-LLVKDONJSA-N 0 0 377.391 3.700 20 10 GHCDRN Cn1cc(C(F)F)c(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 ZINC000865810444 888590916 /nfs/dbraw/zinc/59/09/16/888590916.db2.gz NKBZJAOFCVJGQU-UHFFFAOYSA-N 0 0 379.411 3.546 20 10 GHCDRN C[C@H]1CCC[C@@H]1CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000768977812 888651707 /nfs/dbraw/zinc/65/17/07/888651707.db2.gz FXAWVWRTSKCQRO-LSDHHAIUSA-N 0 0 384.442 3.985 20 10 GHCDRN O=C([C@H]1SCCc2sccc21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000153885891 888808922 /nfs/dbraw/zinc/80/89/22/888808922.db2.gz XZVAFNDJVPVNGO-KXBFYZLASA-N 0 0 389.542 3.992 20 10 GHCDRN O=C([C@@H]1SCCc2sccc21)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000153886221 888809005 /nfs/dbraw/zinc/80/90/05/888809005.db2.gz XZVAFNDJVPVNGO-DNVCBOLYSA-N 0 0 389.542 3.992 20 10 GHCDRN CCOCn1nc(C)c(C[C@H](C)C(=O)NCc2c(O)ccc3c2CCCC3)c1C ZINC000866771170 889031886 /nfs/dbraw/zinc/03/18/86/889031886.db2.gz OAIZGZJIFBMUGN-HNNXBMFYSA-N 0 0 399.535 3.573 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)c1 ZINC000121239812 889040548 /nfs/dbraw/zinc/04/05/48/889040548.db2.gz GVXKQVZVPMHYKX-STQMWFEESA-N 0 0 382.420 3.572 20 10 GHCDRN Cc1cnccc1NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000121700551 889095694 /nfs/dbraw/zinc/09/56/94/889095694.db2.gz MKRVSNRJXYJUHM-AWEZNQCLSA-N 0 0 376.407 3.782 20 10 GHCDRN COc1ccc(N(C)CC(=O)NCCc2nc3ccccc3s2)cc1Cl ZINC000121850913 889182656 /nfs/dbraw/zinc/18/26/56/889182656.db2.gz ITRBOKCOEWEOAY-UHFFFAOYSA-N 0 0 389.908 3.753 20 10 GHCDRN CCOCc1ccc(CNC(=O)CN(C)c2ccc(OC)c(Cl)c2)cc1 ZINC000121855380 889182896 /nfs/dbraw/zinc/18/28/96/889182896.db2.gz BKIISCNDCFCPCM-UHFFFAOYSA-N 0 0 376.884 3.638 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H](C)c1ccncc1 ZINC000867832941 889185424 /nfs/dbraw/zinc/18/54/24/889185424.db2.gz USPFOCNPTWLHEC-INIZCTEOSA-N 0 0 383.492 3.574 20 10 GHCDRN COC1CCC(CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)CC1 ZINC000121901149 889207039 /nfs/dbraw/zinc/20/70/39/889207039.db2.gz IYICCAHIHHSIOR-FQUBMZHMSA-N 0 0 388.552 3.856 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)Cc1nnc(-c2ccccc2OC)o1 ZINC000868109022 889298044 /nfs/dbraw/zinc/29/80/44/889298044.db2.gz BQCBNMCTJRPGBM-UHFFFAOYSA-N 0 0 395.459 3.822 20 10 GHCDRN 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C[C@H](NC(=O)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC001171730579 904959812 /nfs/dbraw/zinc/95/98/12/904959812.db2.gz PDKYUESNAUYLMG-HOTGVXAUSA-N 0 0 376.497 3.997 20 10 GHCDRN CN(C)c1cccc(CCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000189360417 905059068 /nfs/dbraw/zinc/05/90/68/905059068.db2.gz MBOHSAZJEGCNKQ-NRFANRHFSA-N 0 0 382.504 3.599 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)Cc1c(C)nc2c(c(C)nn2C)c1C ZINC000801548873 921122084 /nfs/dbraw/zinc/12/20/84/921122084.db2.gz VASOZWASZPJSRG-UHFFFAOYSA-N 0 0 394.519 3.971 20 10 GHCDRN COC(=O)[C@@H](NCc1cc(C)cc(Br)c1O)c1ccc(F)c(C)c1 ZINC000779178579 905135263 /nfs/dbraw/zinc/13/52/63/905135263.db2.gz PDTAPTNYZCPBIN-INIZCTEOSA-N 0 0 396.256 3.915 20 10 GHCDRN CC(C)(CO)CCCNC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000174988396 905410539 /nfs/dbraw/zinc/41/05/39/905410539.db2.gz ARLKTRXMDYGHSX-OCOZRVBESA-N 0 0 382.464 3.955 20 10 GHCDRN Cc1cc(C(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)c(C)n1-c1ccccn1 ZINC000175055479 905435457 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10 GHCDRN CC(C)COC[C@H](O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000192950836 908029097 /nfs/dbraw/zinc/02/90/97/908029097.db2.gz SNIIWHXCFPWCCA-OALUTQOASA-N 0 0 390.549 3.855 20 10 GHCDRN C[C@@H](Nc1cnn(CC(=O)NC2CC2)c1)c1ccc(N2CCCCCC2)cc1 ZINC000779641093 908044534 /nfs/dbraw/zinc/04/45/34/908044534.db2.gz FWYVBFBMWYVUPN-QGZVFWFLSA-N 0 0 381.524 3.715 20 10 GHCDRN CS[C@@H](C(N)=O)c1cccc(C(=O)c2ccccc2)c1Nc1cnc(C)nc1 ZINC001176396188 908095438 /nfs/dbraw/zinc/09/54/38/908095438.db2.gz LVSYVOZFUSKZRZ-HXUWFJFHSA-N 0 0 392.484 3.649 20 10 GHCDRN Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)c2cccc(O)c2O)c1 ZINC000193138701 908103013 /nfs/dbraw/zinc/10/30/13/908103013.db2.gz KBSTYVFWOSYISY-OAQYLSRUSA-N 0 0 377.440 3.782 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@H]2c2noc(C(C)C)n2)cc1 ZINC000779694684 908178138 /nfs/dbraw/zinc/17/81/38/908178138.db2.gz ZTACZJPZPUDUOG-LJQANCHMSA-N 0 0 394.475 3.814 20 10 GHCDRN COc1ccccc1/C=C(\C(=O)NCc1cccc(O)c1O)c1ccccc1 ZINC001176566188 908179355 /nfs/dbraw/zinc/17/93/55/908179355.db2.gz ROQWBUGRGSEBMU-RGEXLXHISA-N 0 0 375.424 3.963 20 10 GHCDRN Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)NCc3cccc(O)c3O)c12 ZINC001176566383 908179619 /nfs/dbraw/zinc/17/96/19/908179619.db2.gz WILCRDOURRGZRP-UHFFFAOYSA-N 0 0 389.411 3.848 20 10 GHCDRN CCC(CC)CN(CC)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000080049009 908224270 /nfs/dbraw/zinc/22/42/70/908224270.db2.gz RCIGQHPONPIKNE-UHFFFAOYSA-N 0 0 379.520 3.755 20 10 GHCDRN CC(C)(C)OC(=O)Nc1cc(F)cc(CNC(=O)c2cccc(O)c2O)c1 ZINC001176863507 908278262 /nfs/dbraw/zinc/27/82/62/908278262.db2.gz CLZNYRMUSXQUCP-UHFFFAOYSA-N 0 0 376.384 3.514 20 10 GHCDRN CN(C)[C@@H](C[NH2+]Cc1cc(Br)cc(F)c1[O-])Cc1ccccc1 ZINC001177097755 908405163 /nfs/dbraw/zinc/40/51/63/908405163.db2.gz BCSWPOQARKINIY-MRXNPFEDSA-N 0 0 381.289 3.556 20 10 GHCDRN CCCCCC(=O)NC1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773624203 908456813 /nfs/dbraw/zinc/45/68/13/908456813.db2.gz KBLGQUKWJOFGKX-QGZVFWFLSA-N 0 0 388.556 3.684 20 10 GHCDRN Nc1ccc2c(c1NC(=O)[C@H]1C[C@H]1c1cccs1)C(=O)c1ccccc1C2=O ZINC001177543138 908635991 /nfs/dbraw/zinc/63/59/91/908635991.db2.gz AXQWSAMUXJCKSU-CABCVRRESA-N 0 0 388.448 3.848 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2ccccc2S(=O)(=O)C(C)C)cc1 ZINC000193752126 908677811 /nfs/dbraw/zinc/67/78/11/908677811.db2.gz PKIMLCHCGSOCNQ-UHFFFAOYSA-N 0 0 388.533 3.645 20 10 GHCDRN CC(C)c1cnc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)s1 ZINC000192393828 908774267 /nfs/dbraw/zinc/77/42/67/908774267.db2.gz MESNKSUDHVEMRO-UHFFFAOYSA-N 0 0 392.500 3.688 20 10 GHCDRN Cc1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1F ZINC000193903783 908789649 /nfs/dbraw/zinc/78/96/49/908789649.db2.gz DTFQIJIXNNWMMG-UHFFFAOYSA-N 0 0 382.391 3.600 20 10 GHCDRN Cc1cc(-c2csc(NC(=O)c3cn[nH]n3)n2)c(C)n1-c1ccc(F)cc1 ZINC000194021371 908840702 /nfs/dbraw/zinc/84/07/02/908840702.db2.gz GNDCGBHYOKPEDE-UHFFFAOYSA-N 0 0 382.424 3.727 20 10 GHCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCc2cncn2C)cc1 ZINC000193215595 908857787 /nfs/dbraw/zinc/85/77/87/908857787.db2.gz PIOPCDRDSPDATG-UHFFFAOYSA-N 0 0 392.503 3.661 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)Nc1ncc(C(F)(F)F)s1 ZINC000801753498 921453877 /nfs/dbraw/zinc/45/38/77/921453877.db2.gz VNSSFDSVHGFFHW-UHFFFAOYSA-N 0 0 396.188 3.952 20 10 GHCDRN CCN(C)c1ccc(CN(C)CC(=O)Nc2ccccc2Br)cc1 ZINC000773733335 908960033 /nfs/dbraw/zinc/96/00/33/908960033.db2.gz VUJJESYJNZPZBG-UHFFFAOYSA-N 0 0 390.325 3.976 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)NCc2ccccc2Br)cc1 ZINC000195072314 908961053 /nfs/dbraw/zinc/96/10/53/908961053.db2.gz ZNMWJHLVUXGRLX-UHFFFAOYSA-N 0 0 376.298 3.857 20 10 GHCDRN Cc1cc(C(=O)CS[C@@H]2CCCOC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000779829565 908966830 /nfs/dbraw/zinc/96/68/30/908966830.db2.gz YAHAWIVEEJGGFM-QGZVFWFLSA-N 0 0 387.501 3.960 20 10 GHCDRN O=C1[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CCN1c1ccc(F)c(Cl)c1 ZINC001178344174 909007756 /nfs/dbraw/zinc/00/77/56/909007756.db2.gz YKGBUIVHOVGMIR-CQSZACIVSA-N 0 0 387.213 3.872 20 10 GHCDRN COc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])CCO2 ZINC001178436747 909037274 /nfs/dbraw/zinc/03/72/74/909037274.db2.gz RNFVLOCQTZKLNM-HNNXBMFYSA-N 0 0 382.229 3.916 20 10 GHCDRN CN1CCCc2cc(CNC(=O)Nc3ccn(Cc4ccccc4)n3)ccc21 ZINC000195737706 909038588 /nfs/dbraw/zinc/03/85/88/909038588.db2.gz ZVKJHAURQMQSKP-UHFFFAOYSA-N 0 0 375.476 3.636 20 10 GHCDRN Cc1cc(C(=O)NC[C@@H](O)COc2ccc(F)cc2)c(C)n1-c1cccc(C)c1 ZINC000195745960 909040331 /nfs/dbraw/zinc/04/03/31/909040331.db2.gz UMWKTXJGFZFPTL-HXUWFJFHSA-N 0 0 396.462 3.711 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1ccc(Br)cc1F ZINC000773751783 909120737 /nfs/dbraw/zinc/12/07/37/909120737.db2.gz WNGVJNFBKJDESO-NSHDSACASA-N 0 0 396.256 3.679 20 10 GHCDRN Cc1cc(C)c(CNC(=O)[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001178622979 909154912 /nfs/dbraw/zinc/15/49/12/909154912.db2.gz USZVLOROQRYCSZ-INIZCTEOSA-N 0 0 376.497 3.662 20 10 GHCDRN COc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)ccc1OC1CCCC1 ZINC000773762291 909170609 /nfs/dbraw/zinc/17/06/09/909170609.db2.gz HIMYNTVEUGLHMA-AWEZNQCLSA-N 0 0 385.460 3.789 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCc2csc([C@H](C)OC)n2)cc1 ZINC000267808005 909654467 /nfs/dbraw/zinc/65/44/67/909654467.db2.gz ZNSNFDLWCLLBMP-AWEZNQCLSA-N 0 0 376.526 3.696 20 10 GHCDRN COC(=O)c1c(F)cc(NC(=O)NCc2c(O)ccc3c2CCCC3)cc1F ZINC000801836549 921537559 /nfs/dbraw/zinc/53/75/59/921537559.db2.gz NGHSZXREMWFNLO-UHFFFAOYSA-N 0 0 390.386 3.658 20 10 GHCDRN COc1ccc(CNS(=O)(=O)c2csc3ccc(Cl)cc32)c(O)c1 ZINC000795356768 910042243 /nfs/dbraw/zinc/04/22/43/910042243.db2.gz FXIQTOZSHDPRBR-UHFFFAOYSA-N 0 0 383.878 3.747 20 10 GHCDRN C[C@H](NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000773846559 910051693 /nfs/dbraw/zinc/05/16/93/910051693.db2.gz MQGQXRYPDTUGKK-NSHDSACASA-N 0 0 380.275 3.875 20 10 GHCDRN CC(C)COc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773848412 910059556 /nfs/dbraw/zinc/05/95/56/910059556.db2.gz WUDSZBJSASOPAB-INIZCTEOSA-N 0 0 383.492 3.603 20 10 GHCDRN CCOc1ccccc1C(=O)N1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC001180378964 910104876 /nfs/dbraw/zinc/10/48/76/910104876.db2.gz NSOKMHSVJIQHJU-FPLPWBNLSA-N 0 0 393.531 3.623 20 10 GHCDRN FC(F)c1nnc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 ZINC000269395448 910249023 /nfs/dbraw/zinc/24/90/23/910249023.db2.gz WGJCMFBETHBORT-UHFFFAOYSA-N 0 0 394.369 3.943 20 10 GHCDRN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000246369161 910264298 /nfs/dbraw/zinc/26/42/98/910264298.db2.gz IZWFCMFAGMHINJ-SZVBFZGTSA-N 0 0 375.488 3.525 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2c3n[nH]nc3ccc2C)cc1 ZINC001180765757 910348390 /nfs/dbraw/zinc/34/83/90/910348390.db2.gz ZFHCTTQNZRNWHG-UHFFFAOYSA-N 0 0 387.443 3.668 20 10 GHCDRN COC(=O)c1csc(-c2cccc(C[NH2+]Cc3cc(F)c(F)cc3[O-])c2)n1 ZINC001180858087 910397566 /nfs/dbraw/zinc/39/75/66/910397566.db2.gz PKQXCUPGXYRQSJ-UHFFFAOYSA-N 0 0 390.411 3.870 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3NC(=O)C[C@H]3c3ccccc3)ccc21 ZINC001182031273 911136408 /nfs/dbraw/zinc/13/64/08/911136408.db2.gz KNELTAADIDGHJF-NRFANRHFSA-N 0 0 391.471 3.523 20 10 GHCDRN Cc1ccc(NC(=O)CSCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773991712 911238789 /nfs/dbraw/zinc/23/87/89/911238789.db2.gz CAQCXRZWFHNUHA-MRXNPFEDSA-N 0 0 385.533 3.610 20 10 GHCDRN CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](COC)C1 ZINC000801937282 921649961 /nfs/dbraw/zinc/64/99/61/921649961.db2.gz IXZVFZOQEITDFQ-GOSISDBHSA-N 0 0 379.508 3.845 20 10 GHCDRN Cc1cc(C(=O)COC(=O)C2CCC(O)CC2)c(C)n1-c1ccc(C)c(F)c1 ZINC000795647311 911683781 /nfs/dbraw/zinc/68/37/81/911683781.db2.gz CSRSBTXAPLIPRN-UHFFFAOYSA-N 0 0 387.451 3.819 20 10 GHCDRN C[C@@H]([NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1)c1cc(F)cc(F)c1[O-] ZINC000774395748 911707865 /nfs/dbraw/zinc/70/78/65/911707865.db2.gz KCCHJRPPMCARLP-MWLCHTKSSA-N 0 0 375.337 3.590 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1c2ccccc2CCN1C(C)=O ZINC000248142160 911767733 /nfs/dbraw/zinc/76/77/33/911767733.db2.gz UIZKAHACCFNPHJ-QHCPKHFHSA-N 0 0 393.531 3.637 20 10 GHCDRN CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000092754890 911773132 /nfs/dbraw/zinc/77/31/32/911773132.db2.gz IGSULYKFDDHFSS-ZDUSSCGKSA-N 0 0 383.330 3.527 20 10 GHCDRN C[C@H](N[C@@H](C(N)=O)c1ccc(Br)cc1F)c1ccc(N(C)C)cc1 ZINC000774479788 911785550 /nfs/dbraw/zinc/78/55/50/911785550.db2.gz UMIRTVARKQOPSM-APPDUMDISA-N 0 0 394.288 3.531 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)Cc1cccc(F)c1Br ZINC001182488736 911838959 /nfs/dbraw/zinc/83/89/59/911838959.db2.gz DIJGNNXUJCGINH-UHFFFAOYSA-N 0 0 396.256 3.859 20 10 GHCDRN Cn1cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c(C(C)(C)C)n1 ZINC000092827636 911843325 /nfs/dbraw/zinc/84/33/25/911843325.db2.gz GVOOAOXZDNPCCU-UHFFFAOYSA-N 0 0 387.439 3.745 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCC4(CCOCC4)CC3)ccc21 ZINC000284388087 911850055 /nfs/dbraw/zinc/85/00/55/911850055.db2.gz GMBXTHVQHJDOJC-UHFFFAOYSA-N 0 0 384.520 3.937 20 10 GHCDRN Nc1ccc(N(Cc2ccccc2)C(=O)Cn2ccc3ccccc3c2=O)cc1 ZINC001182762451 912006378 /nfs/dbraw/zinc/00/63/78/912006378.db2.gz JLKYEJPJKMBXLJ-UHFFFAOYSA-N 0 0 383.451 3.817 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCc1ccccc1Cl ZINC000774552137 912071658 /nfs/dbraw/zinc/07/16/58/912071658.db2.gz WDZHKTVWVADNKC-UHFFFAOYSA-N 0 0 399.922 3.605 20 10 GHCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000291197034 915032528 /nfs/dbraw/zinc/03/25/28/915032528.db2.gz MNFDQKWUFPPLCO-UONOGXRCSA-N 0 0 384.436 3.632 20 10 GHCDRN O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)N1CCSc2ccccc21 ZINC000096971103 915312594 /nfs/dbraw/zinc/31/25/94/915312594.db2.gz AQKJGUYTOYTOGI-SFHVURJKSA-N 0 0 398.528 3.512 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)NCC(=O)N(CC)Cc1ccccc1 ZINC000802027591 921768815 /nfs/dbraw/zinc/76/88/15/921768815.db2.gz NKIYMFWNXJYCLI-UHFFFAOYSA-N 0 0 397.519 3.753 20 10 GHCDRN Cc1noc(Cl)c1CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000360189486 915989182 /nfs/dbraw/zinc/98/91/82/915989182.db2.gz UOXMDOLBWBJKKR-UHFFFAOYSA-N 0 0 399.825 3.566 20 10 GHCDRN Brc1ccc2[nH]c(NCc3ccc(N4CCOCC4)cc3)nc2c1 ZINC000775170341 916017425 /nfs/dbraw/zinc/01/74/25/916017425.db2.gz COZWILAULWPKHP-UHFFFAOYSA-N 0 0 387.281 3.774 20 10 GHCDRN COc1cccc(CNC(=O)N[C@@H]2CCCc3cn(C4CCCC4)nc32)c1O ZINC000360284952 916046483 /nfs/dbraw/zinc/04/64/83/916046483.db2.gz QICVYEFUTIABQG-QGZVFWFLSA-N 0 0 384.480 3.589 20 10 GHCDRN CCC[C@H](NC(=O)C(=O)NCc1ccc(N(CC)CC)cc1)c1ccccc1 ZINC000775196816 916187341 /nfs/dbraw/zinc/18/73/41/916187341.db2.gz WBOWJVPSBIKOEY-NRFANRHFSA-N 0 0 381.520 3.807 20 10 GHCDRN CC(C)C[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000775198092 916231172 /nfs/dbraw/zinc/23/11/72/916231172.db2.gz PQVZVGPDTUOVEE-UWJYYQICSA-N 0 0 381.520 3.833 20 10 GHCDRN COc1ccc(NS(=O)(=O)CC2CC2)c(C(=O)c2ccc(Cl)cc2)c1 ZINC001188962017 916311569 /nfs/dbraw/zinc/31/15/69/916311569.db2.gz CTHMUMRZOHLPOI-UHFFFAOYSA-N 0 0 379.865 3.731 20 10 GHCDRN COc1c(O)c(CNc2ccc(N(C(C)=O)[C@@H]3C[C@@H]3C)cc2)ccc1[N+](=O)[O-] ZINC000294225474 916661400 /nfs/dbraw/zinc/66/14/00/916661400.db2.gz YZTFFFCAGICNKN-KPZWWZAWSA-N 0 0 385.420 3.682 20 10 GHCDRN Cc1cccc(Cl)c1NC(=O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775258665 916689787 /nfs/dbraw/zinc/68/97/87/916689787.db2.gz INSWNXZANSTCBB-INIZCTEOSA-N 0 0 387.911 3.774 20 10 GHCDRN Cc1cccc(-c2noc(CN[C@@H](C)c3ccc(N4CCOCC4)cc3)n2)c1 ZINC000775259342 916700876 /nfs/dbraw/zinc/70/08/76/916700876.db2.gz HWNNDGQIVVRSIC-KRWDZBQOSA-N 0 0 378.476 3.732 20 10 GHCDRN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCC[C@H]1CF ZINC000294542345 916856241 /nfs/dbraw/zinc/85/62/41/916856241.db2.gz ZVRZYIGCAZCYEJ-GVIGZQTCSA-N 0 0 398.550 3.690 20 10 GHCDRN CCN(CC)c1ccc(/N=N/c2ccccc2C(=O)NCC(=O)CCO)cc1 ZINC001189712581 916856332 /nfs/dbraw/zinc/85/63/32/916856332.db2.gz KQXBURYJJYLODU-WCWDXBQESA-N 0 0 382.464 3.630 20 10 GHCDRN CCN(CC)c1ccc(/N=N/c2ccccc2C(=O)N[C@@H](C)C(=O)NC)cc1 ZINC001189712156 916856486 /nfs/dbraw/zinc/85/64/86/916856486.db2.gz DUJSDQZEMQEGEZ-JAFLTTMTSA-N 0 0 381.480 3.813 20 10 GHCDRN 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CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc2c(cnn2CC(C)C)c1 ZINC000748343570 923582483 /nfs/dbraw/zinc/58/24/83/923582483.db2.gz IMWBARXDCVCRGH-UHFFFAOYSA-N 0 0 379.508 3.816 20 10 GHCDRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NCc1ccccc1O ZINC000748346708 923585263 /nfs/dbraw/zinc/58/52/63/923585263.db2.gz UXSKAKVCEUILRF-UHFFFAOYSA-N 0 0 387.892 3.948 20 10 GHCDRN Cc1ccsc1CCCC(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000748429858 923633990 /nfs/dbraw/zinc/63/39/90/923633990.db2.gz JZJXANNMXQTDMW-UHFFFAOYSA-N 0 0 388.533 3.647 20 10 GHCDRN O=C(NCc1ccccc1O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000748443633 923643347 /nfs/dbraw/zinc/64/33/47/923643347.db2.gz PDXZSTHTGKKHBT-UHFFFAOYSA-N 0 0 395.381 3.569 20 10 GHCDRN COc1ccc([C@H](C)NC(=O)NCc2ccccc2O)cc1Br ZINC000748459793 923669906 /nfs/dbraw/zinc/66/99/06/923669906.db2.gz JPDNYLJZROOLNW-NSHDSACASA-N 0 0 379.254 3.724 20 10 GHCDRN CCc1cccc(NC(=O)CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000748461507 923671128 /nfs/dbraw/zinc/67/11/28/923671128.db2.gz 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CCN(Cc1ccccc1)c1ccc([C@@H]2NC(=S)N=C(C)C2C(=O)OC)cc1 ZINC000011213051 924714042 /nfs/dbraw/zinc/71/40/42/924714042.db2.gz AMGJHDHBXPTABA-FQEVSTJZSA-N 0 0 395.528 3.679 20 10 GHCDRN Cc1cc(C(=O)N2CCC(c3nccc(C)n3)CC2)c(C)n1-c1ccccn1 ZINC000371788190 924855677 /nfs/dbraw/zinc/85/56/77/924855677.db2.gz JKFUGUHUZIRVLQ-UHFFFAOYSA-N 0 0 375.476 3.607 20 10 GHCDRN COc1ccc(N2CCC(N[C@@H](C)c3nc(Cc4ccccc4)no3)CC2)cc1 ZINC000371796421 924863717 /nfs/dbraw/zinc/86/37/17/924863717.db2.gz MZHFORYUGMTCFL-KRWDZBQOSA-N 0 0 392.503 3.989 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CO[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC001137346537 924897920 /nfs/dbraw/zinc/89/79/20/924897920.db2.gz BCFWMEDKHBKZPS-ROUUACIJSA-N 0 0 391.508 3.658 20 10 GHCDRN CC[C@H](C)N1CCC2(CC[NH+](Cc3c(O)cccc3Br)CC2)C1=O ZINC001276076914 925236166 /nfs/dbraw/zinc/23/61/66/925236166.db2.gz ACNJFFMTJKQQLR-AWEZNQCLSA-N 0 0 395.341 3.768 20 10 GHCDRN Fc1cc(CN2CC3(CCOCC3)[C@H]2c2ccco2)ccc1N1CCOCC1 ZINC000827495136 925665572 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C[C@H](NCc1ccc(N2CCOCC2)cc1)c1nc(Br)cs1 ZINC000834531129 1021250027 /nfs/dbraw/zinc/25/00/27/1021250027.db2.gz QDTQTNNMUONVQO-LBPRGKRZSA-N 0 0 382.327 3.593 20 10 GHCDRN CC[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1csc(C)c1 ZINC000834589268 1021286622 /nfs/dbraw/zinc/28/66/22/1021286622.db2.gz LGPRSVVWNONZLN-IBGZPJMESA-N 0 0 385.533 3.540 20 10 GHCDRN CC(C)(C)OC(=O)N=c1[nH]c(CN2CCCc3cc(O)c(O)cc3C2)cs1 ZINC001140311829 1021375529 /nfs/dbraw/zinc/37/55/29/1021375529.db2.gz KLERTDQFGUVMTI-UHFFFAOYSA-N 0 0 391.493 3.850 20 10 GHCDRN COC(=O)CN(Cc1ccc(Cl)nc1Cl)Cc1cc(Cl)ccc1O ZINC000801523260 1021404432 /nfs/dbraw/zinc/40/44/32/1021404432.db2.gz NFMITUNBZSJAIW-UHFFFAOYSA-N 0 0 389.666 3.923 20 10 GHCDRN CCn1ncc2c1CN(Cc1c(O)cccc1Cl)C[C@@H]2COc1cccnc1 ZINC001140339466 1021446961 /nfs/dbraw/zinc/44/69/61/1021446961.db2.gz VGOKZNQVNFLQFN-OAHLLOKOSA-N 0 0 398.894 3.835 20 10 GHCDRN O=C(CCCN1CCN(Cc2c(O)cccc2Cl)CC1)c1ccc(F)cc1 ZINC001140342710 1021455226 /nfs/dbraw/zinc/45/52/26/1021455226.db2.gz VIBXINVAUODCDY-UHFFFAOYSA-N 0 0 390.886 3.965 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000802002163 1021463022 /nfs/dbraw/zinc/46/30/22/1021463022.db2.gz GSEHAQUHMMTVFU-UHFFFAOYSA-N 0 0 395.503 3.796 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000802253395 1021486093 /nfs/dbraw/zinc/48/60/93/1021486093.db2.gz WYSQIHOHIKPNIU-SFHVURJKSA-N 0 0 384.476 3.934 20 10 GHCDRN C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21)c1ccc(Cl)c(Cl)c1[O-] ZINC000834826074 1021521208 /nfs/dbraw/zinc/52/12/08/1021521208.db2.gz AIWVTLIDAUOMNQ-WDEREUQCSA-N 0 0 386.300 3.921 20 10 GHCDRN C[C@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1cc(Br)c(F)cc1[O-] ZINC000834828703 1021522155 /nfs/dbraw/zinc/52/21/55/1021522155.db2.gz XJQKMHZCJVETND-GXFFZTMASA-N 0 0 386.236 3.687 20 10 GHCDRN COc1cc(OC)c(C[C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(OC)c1 ZINC000834880934 1021607659 /nfs/dbraw/zinc/60/76/59/1021607659.db2.gz ISQDIENAERXALG-STQMWFEESA-N 0 0 390.436 3.608 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1)c1cc(Br)cc(F)c1[O-] ZINC000834896772 1021639616 /nfs/dbraw/zinc/63/96/16/1021639616.db2.gz CRVWGNUTJKYREX-IETSOEAISA-N 0 0 398.276 3.598 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1)c1cc(Br)cc(F)c1[O-] ZINC000834915441 1021677432 /nfs/dbraw/zinc/67/74/32/1021677432.db2.gz YRFKBQHCSUYORW-JVLSTEMRSA-N 0 0 398.276 3.598 20 10 GHCDRN CCS(=O)(=O)Nc1ccc(NC/C=C\c2ccc(N(C)C)cc2)cc1OC ZINC000835029978 1021787227 /nfs/dbraw/zinc/78/72/27/1021787227.db2.gz ACRCTLLJMILRSW-SREVYHEPSA-N 0 0 389.521 3.648 20 10 GHCDRN CN(C)c1ccc(/C=C\CNc2cccc(N3CCC(C(N)=O)CC3)c2)cc1 ZINC000835033734 1021790539 /nfs/dbraw/zinc/79/05/39/1021790539.db2.gz XDYVBBNUQVQKNT-PLNGDYQASA-N 0 0 378.520 3.580 20 10 GHCDRN COCCN1C(=O)CCc2cc(NC/C=C/c3ccc(N(C)C)cc3)ccc21 ZINC000835044878 1021803659 /nfs/dbraw/zinc/80/36/59/1021803659.db2.gz ADQGFNVMQBZTOJ-SNAWJCMRSA-N 0 0 379.504 3.804 20 10 GHCDRN Cc1c(NC/C=C/c2ccc(N(C)C)cc2)cccc1N1C(=O)CCNC1=O ZINC000835049987 1021813345 /nfs/dbraw/zinc/81/33/45/1021813345.db2.gz OLGJQXSCKZYOJC-AATRIKPKSA-N 0 0 378.476 3.633 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(CC)c(OC)c1 ZINC000835326423 1022033430 /nfs/dbraw/zinc/03/34/30/1022033430.db2.gz BNRMWQJFOZXUAQ-UHFFFAOYSA-N 0 0 384.476 3.731 20 10 GHCDRN Cc1ccc(O)c(CN2CCn3c(COCc4cncc(C)c4)cnc3[C@H]2C)c1 ZINC001140620680 1022092717 /nfs/dbraw/zinc/09/27/17/1022092717.db2.gz XUSVSHDEFBRUHY-GOSISDBHSA-N 0 0 392.503 3.894 20 10 GHCDRN COC(=O)[C@@H]1C[C@H](NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)[C@H]2C[C@H]21 ZINC001156435044 1033031838 /nfs/dbraw/zinc/03/18/38/1033031838.db2.gz YOHYGFNFMUELJN-HCXYKTFWSA-N 0 0 386.879 3.675 20 10 GHCDRN CC[C@H]1[C@@H](CO)CCN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000835553519 1022242318 /nfs/dbraw/zinc/24/23/18/1022242318.db2.gz XATHFDOTWXFAKM-BEFAXECRSA-N 0 0 380.448 3.660 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000827511608 1022259239 /nfs/dbraw/zinc/25/92/39/1022259239.db2.gz VNWNPWRHFWGSJM-UHFFFAOYSA-N 0 0 396.531 3.867 20 10 GHCDRN Cc1c(O)ccc(CN2Cc3ncn(CC4CC4)c3[C@@H](COCC3CC3)C2)c1O ZINC001140745037 1022412880 /nfs/dbraw/zinc/41/28/80/1022412880.db2.gz SZAGDBRUTBGODT-LJQANCHMSA-N 0 0 397.519 3.539 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)c2C)cc1 ZINC000754189849 1022528695 /nfs/dbraw/zinc/52/86/95/1022528695.db2.gz UJUOEFKXJAZOLG-NRSPTQNISA-N 0 0 380.488 3.790 20 10 GHCDRN CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]3[C@H]2CN3C(=O)OC(C)(C)C)c(O)c1 ZINC001140853110 1022703453 /nfs/dbraw/zinc/70/34/53/1022703453.db2.gz MGEHWLHVNCZOKR-RTBURBONSA-N 0 0 389.540 3.822 20 10 GHCDRN CCN(CC)c1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c(O)c1 ZINC001140853119 1022703790 /nfs/dbraw/zinc/70/37/90/1022703790.db2.gz MSLLXYGVQZEOLJ-INIZCTEOSA-N 0 0 377.529 3.680 20 10 GHCDRN Cc1csc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000836241416 1022759254 /nfs/dbraw/zinc/75/92/54/1022759254.db2.gz NDHQGRIJMFBLNU-GASCZTMLSA-N 0 0 391.512 3.809 20 10 GHCDRN COc1ccc(N2C[C@H]([NH2+]Cc3cc(Cl)cc(Cl)c3[O-])CC2=O)cc1 ZINC001203074685 1022760085 /nfs/dbraw/zinc/76/00/85/1022760085.db2.gz MFJPPETXROBLIB-CYBMUJFWSA-N 0 0 381.259 3.603 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H]1CSc2ccccc21 ZINC000836243169 1022761547 /nfs/dbraw/zinc/76/15/47/1022761547.db2.gz UYNBCUQUYIWWSP-KRWDZBQOSA-N 0 0 399.585 3.929 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NC[C@@H]2Cc3ccccc3O2)ccc1C ZINC001140876005 1022768020 /nfs/dbraw/zinc/76/80/20/1022768020.db2.gz LBKHQBGVTWMEBK-NRFANRHFSA-N 0 0 388.467 3.949 20 10 GHCDRN CN(C)c1ccc(CN2CCC(n3c4ccccc4n(C)c3=O)CC2)c(Cl)c1 ZINC001140924049 1022900864 /nfs/dbraw/zinc/90/08/64/1022900864.db2.gz BSIOCENOTODRPM-UHFFFAOYSA-N 0 0 398.938 3.897 20 10 GHCDRN CN(C)c1ccc(CN2CCNC(=O)[C@H]2c2ccc(Cl)cc2)c(Cl)c1 ZINC001140925506 1022902193 /nfs/dbraw/zinc/90/21/93/1022902193.db2.gz CFGVHJNEWGIIEC-GOSISDBHSA-N 0 0 378.303 3.733 20 10 GHCDRN C[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)Cc1cc(Br)ccc1Cl ZINC000754850684 1022933160 /nfs/dbraw/zinc/93/31/60/1022933160.db2.gz BJJCVEGRDWPJBV-INIZCTEOSA-N 0 0 398.684 3.866 20 10 GHCDRN Cc1ccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c(C2CC2)n1 ZINC000836425581 1022964131 /nfs/dbraw/zinc/96/41/31/1022964131.db2.gz COMKBKJITSYLSK-IYBDPMFKSA-N 0 0 397.494 3.950 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCn4ccnc43)cc2Cl)C1 ZINC000836443634 1022977478 /nfs/dbraw/zinc/97/74/78/1022977478.db2.gz IIWOFOMQPSGFKC-WMLDXEAASA-N 0 0 387.915 3.717 20 10 GHCDRN CO[C@@H]1CC[C@@H]2OCCN(CC(=O)c3cc(C)n(-c4ccccc4C)c3C)[C@H]2C1 ZINC000755054361 1023048055 /nfs/dbraw/zinc/04/80/55/1023048055.db2.gz QFTRNOFNYJZQMM-UCFCWBNQSA-N 0 0 396.531 3.854 20 10 GHCDRN CC(C)C[C@H](C)OCCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000755201017 1023121121 /nfs/dbraw/zinc/12/11/21/1023121121.db2.gz QIHNLYBRAPPNCD-RCCFBDPRSA-N 0 0 394.531 3.897 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)Cc3ccc(F)cc3F)cc2F)C[C@H](C)O1 ZINC000755199762 1023121136 /nfs/dbraw/zinc/12/11/36/1023121136.db2.gz GCOUHPKBBWIGBC-OKILXGFUSA-N 0 0 392.421 3.576 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000836695614 1023264570 /nfs/dbraw/zinc/26/45/70/1023264570.db2.gz CHZXAFRUMBPKLM-ZDUSSCGKSA-N 0 0 391.265 3.980 20 10 GHCDRN CCOc1ncc(C)cc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000836709066 1023284649 /nfs/dbraw/zinc/28/46/49/1023284649.db2.gz SUKLJMZMYXIJGA-INIZCTEOSA-N 0 0 384.480 3.508 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccc(CNc3ccnc(C)n3)c2)c1 ZINC000755528504 1023285338 /nfs/dbraw/zinc/28/53/38/1023285338.db2.gz DSZQHBXNGLAFDV-AWEZNQCLSA-N 0 0 392.459 3.602 20 10 GHCDRN COc1cc(O)c(CN2Cc3cnc(-c4ccc(F)cc4)nc3C2)c(OC)c1 ZINC001141030990 1023296621 /nfs/dbraw/zinc/29/66/21/1023296621.db2.gz UFNHHVKKHSLMAR-UHFFFAOYSA-N 0 0 381.407 3.521 20 10 GHCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CC[C@H]4CCCC[C@H]4C3)cc2)C1 ZINC000755607739 1023312504 /nfs/dbraw/zinc/31/25/04/1023312504.db2.gz DISYNIDEVGDZQO-PLACYPQZSA-N 0 0 397.563 3.611 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccnc(OCC(F)(F)F)n1 ZINC000836768315 1023353077 /nfs/dbraw/zinc/35/30/77/1023353077.db2.gz GXRYPFVKIMZSKJ-UHFFFAOYSA-N 0 0 398.385 3.958 20 10 GHCDRN CCC1(CC)CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000755910480 1023431106 /nfs/dbraw/zinc/43/11/06/1023431106.db2.gz KFMYDNKKDTYJNZ-UHFFFAOYSA-N 0 0 377.504 3.509 20 10 GHCDRN C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1cc(Br)c(F)cc1[O-] ZINC000756379453 1023619519 /nfs/dbraw/zinc/61/95/19/1023619519.db2.gz NVOOXWJTDQSHKT-LLVKDONJSA-N 0 0 395.272 3.846 20 10 GHCDRN CCN(CC)C(=O)CCC[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756415871 1023636707 /nfs/dbraw/zinc/63/67/07/1023636707.db2.gz LAHKJYNEWREAQW-LLVKDONJSA-N 0 0 375.282 3.593 20 10 GHCDRN C[C@H]([NH2+]CCNC(=O)c1ccc(F)cc1)c1cc(Br)c(F)cc1[O-] ZINC000756453899 1023659766 /nfs/dbraw/zinc/65/97/66/1023659766.db2.gz JMDBSMFYSVDDPA-JTQLQIEISA-N 0 0 399.235 3.514 20 10 GHCDRN C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(F)cc(F)c1[O-] ZINC000756460903 1023664045 /nfs/dbraw/zinc/66/40/45/1023664045.db2.gz UYBDAYCQDXQTBH-LBPRGKRZSA-N 0 0 380.410 3.621 20 10 GHCDRN C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000756462823 1023664649 /nfs/dbraw/zinc/66/46/49/1023664649.db2.gz ANUAGIXUQZJOLK-GFCCVEGCSA-N 0 0 398.475 3.598 20 10 GHCDRN C[C@H]([NH2+]CCN1Cc2ccccc2C1)c1cc(Br)c(F)cc1[O-] ZINC000756477659 1023676297 /nfs/dbraw/zinc/67/62/97/1023676297.db2.gz CMEXWLQNKPGRQL-LBPRGKRZSA-N 0 0 379.273 3.960 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1cc(Br)cc(F)c1[O-] ZINC000756503789 1023687327 /nfs/dbraw/zinc/68/73/27/1023687327.db2.gz PPBDVFSHYHSKMD-WPRPVWTQSA-N 0 0 385.199 3.581 20 10 GHCDRN C[C@@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000756505711 1023688478 /nfs/dbraw/zinc/68/84/78/1023688478.db2.gz XWKCWWRFZJPFIQ-AUUYWEPGSA-N 0 0 378.875 3.909 20 10 GHCDRN CCOc1c(OC)cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1OC ZINC000756510730 1023691425 /nfs/dbraw/zinc/69/14/25/1023691425.db2.gz USPAFEKWOIBOAE-LBPRGKRZSA-N 0 0 376.409 3.567 20 10 GHCDRN CC(C)N(C)CC[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000756525374 1023698058 /nfs/dbraw/zinc/69/80/58/1023698058.db2.gz OBMTTZKASXGMLY-SNVBAGLBSA-N 0 0 394.151 3.908 20 10 GHCDRN C[C@@H]([NH2+]CCN1CCSCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756575669 1023718873 /nfs/dbraw/zinc/71/88/73/1023718873.db2.gz JNURBKRANJWCKX-SNVBAGLBSA-N 0 0 379.751 3.508 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(C)cc2OC[C@H]2CCCO2)c1 ZINC000756646439 1023752237 /nfs/dbraw/zinc/75/22/37/1023752237.db2.gz MJRNSSBPZGOFFJ-QFBILLFUSA-N 0 0 399.487 3.896 20 10 GHCDRN CCc1noc(-c2ccc(CC[NH2+][C@@H](C)c3cc(C(=O)OC)ccc3[O-])cc2)n1 ZINC000756685114 1023773044 /nfs/dbraw/zinc/77/30/44/1023773044.db2.gz NEAKRLFORCLXQJ-AWEZNQCLSA-N 0 0 395.459 3.685 20 10 GHCDRN COc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756713101 1023784915 /nfs/dbraw/zinc/78/49/15/1023784915.db2.gz TYSLKGSDODDXLD-MEBBXXQBSA-N 0 0 384.245 3.687 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756756957 1023802554 /nfs/dbraw/zinc/80/25/54/1023802554.db2.gz AWXJQPGKGWVREI-OCCSQVGLSA-N 0 0 398.381 3.821 20 10 GHCDRN CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@H](c1ccc(C)cc1)n1cncn1 ZINC000756770102 1023808074 /nfs/dbraw/zinc/80/80/74/1023808074.db2.gz QRMWZIJFOJFDFE-JJXUHFIVSA-N 0 0 395.463 3.919 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1cc(F)cc(F)c1[O-] ZINC000756779342 1023812251 /nfs/dbraw/zinc/81/22/51/1023812251.db2.gz JHUSXQJACLETMX-HIIUDZQISA-N 0 0 380.822 3.946 20 10 GHCDRN C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756778639 1023813101 /nfs/dbraw/zinc/81/31/01/1023813101.db2.gz OEZHXBRYPDAXMP-QLJPJBMISA-N 0 0 393.802 3.549 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756865633 1023839495 /nfs/dbraw/zinc/83/94/95/1023839495.db2.gz TUVLJFRJLURCBH-QFYYESIMSA-N 0 0 393.802 3.549 20 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Cc1c(CN2CCn3c(CCc4ccccc4)nnc3C2)c2ccccc2n1C ZINC001138259322 1024488676 /nfs/dbraw/zinc/48/86/76/1024488676.db2.gz FVXRLTDPXFDYHP-UHFFFAOYSA-N 0 0 385.515 3.879 20 10 GHCDRN O=C(c1cc(Br)co1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000837491263 1024501343 /nfs/dbraw/zinc/50/13/43/1024501343.db2.gz MSWCUONUEGMMRT-CQSZACIVSA-N 0 0 380.238 3.569 20 10 GHCDRN CC(=O)C(C)(C)CCC(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000837587024 1024568049 /nfs/dbraw/zinc/56/80/49/1024568049.db2.gz CZWSOQXHNBWAPK-UHFFFAOYSA-N 0 0 388.439 3.750 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001138331901 1024689200 /nfs/dbraw/zinc/68/92/00/1024689200.db2.gz KWSAMDZKAOUMCI-UHFFFAOYSA-N 0 0 396.535 3.668 20 10 GHCDRN CN1CCCc2cc(CN3CCN(c4ccc5c(c4)CCC5=O)CC3)ccc21 ZINC001138359607 1024724048 /nfs/dbraw/zinc/72/40/48/1024724048.db2.gz VRDRCRWWADMMBZ-UHFFFAOYSA-N 0 0 375.516 3.520 20 10 GHCDRN CCOCc1cnc2n1CCN(Cc1ccc(N(CC)CC)cc1OC)[C@H]2C ZINC001138387612 1024761257 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FC(F)[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(Br)c2)C1 ZINC001138679318 1025204496 /nfs/dbraw/zinc/20/44/96/1025204496.db2.gz XQQDZMSLQRUAEE-CQSZACIVSA-N 0 0 389.284 3.763 20 10 GHCDRN CC(C)n1cc(C2=CCCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)nn1 ZINC000838558955 1025208665 /nfs/dbraw/zinc/20/86/65/1025208665.db2.gz IVAZDRPRSUAUQA-KRWDZBQOSA-N 0 0 396.539 3.875 20 10 GHCDRN O=C(NCc1c(F)cc(F)cc1F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000838620499 1025240614 /nfs/dbraw/zinc/24/06/14/1025240614.db2.gz AWYUIZGYFAFGEC-OAHLLOKOSA-N 0 0 394.393 3.700 20 10 GHCDRN O=C(NC[C@@H]1CSc2ccccc21)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000838628099 1025248260 /nfs/dbraw/zinc/24/82/60/1025248260.db2.gz LOAJUILMIWCJDM-QZTJIDSGSA-N 0 0 398.528 3.972 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C ZINC000838654144 1025268348 /nfs/dbraw/zinc/26/83/48/1025268348.db2.gz WYKGXKCHKRHWEM-CABCVRRESA-N 0 0 379.501 3.616 20 10 GHCDRN CSc1cc(F)ccc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000832172064 1025277747 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CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000839547215 1026040824 /nfs/dbraw/zinc/04/08/24/1026040824.db2.gz GHGGSZYBHPPVHG-UHFFFAOYSA-N 0 0 399.447 3.685 20 10 GHCDRN O=C(C[C@H](c1ccc(O)cc1)C1CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000839549899 1026047126 /nfs/dbraw/zinc/04/71/26/1026047126.db2.gz OWSWPPBHXGIFPK-FQEVSTJZSA-N 0 0 398.478 3.568 20 10 GHCDRN C[C@H](NC(=O)C[C@H](c1ccc(O)cc1)C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000839581002 1026078706 /nfs/dbraw/zinc/07/87/06/1026078706.db2.gz WOYJYVTZGJWPEC-SBUREZEXSA-N 0 0 394.515 3.990 20 10 GHCDRN O=C(Cc1ccc(O)c(O)c1)NCc1ccc(COc2ccc(F)cc2)cc1 ZINC001163188840 1026082627 /nfs/dbraw/zinc/08/26/27/1026082627.db2.gz IOMFIFDKVHGQQQ-UHFFFAOYSA-N 0 0 381.403 3.675 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)Nc1ccccc1OC(C)C ZINC000839633326 1026137526 /nfs/dbraw/zinc/13/75/26/1026137526.db2.gz HREBXMUAZZKOSP-QGZVFWFLSA-N 0 0 397.519 3.534 20 10 GHCDRN CCC[C@@H](CNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C)C(=O)OCC ZINC001139328826 1026188338 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TWRSURXDCOPAMC-QGZVFWFLSA-N 0 0 388.537 3.529 20 10 GHCDRN COCCOc1ccc(Nc2ccc(C(=O)Oc3ccc(N)cc3)cc2)cn1 ZINC001216067322 1029514076 /nfs/dbraw/zinc/51/40/76/1029514076.db2.gz JTZRYFNFHVJEJL-UHFFFAOYSA-N 0 0 379.416 3.652 20 10 GHCDRN CC[C@@H]([NH2+]Cc1cc(C)cc(Br)c1[O-])C(=O)NCc1cccs1 ZINC000842748576 1029557827 /nfs/dbraw/zinc/55/78/27/1029557827.db2.gz QKSMWQLXZWHAMO-OAHLLOKOSA-N 0 0 397.338 3.709 20 10 GHCDRN O=[N+]([O-])c1cc(CN[C@@H](CCO)c2ccccc2F)ccc1N1CCCCC1 ZINC000842762583 1029570676 /nfs/dbraw/zinc/57/06/76/1029570676.db2.gz HPOVWOJZCDJTCU-IBGZPJMESA-N 0 0 387.455 3.938 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3cc(NC(C)=O)ccc3C)C2)cc1 ZINC000842874295 1029650894 /nfs/dbraw/zinc/65/08/94/1029650894.db2.gz BMYSUKHDMRVWTA-KRWDZBQOSA-N 0 0 382.460 3.645 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@@H]3COCC[C@@H]3c3ccccc3)C2)cc1 ZINC000842876363 1029653732 /nfs/dbraw/zinc/65/37/32/1029653732.db2.gz XMSJIDAHCTXWDE-SXSPYAJSSA-N 0 0 395.499 3.885 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)[C@@H]3CCc4ccc(OC)cc43)C2)cc1 ZINC000842876244 1029653886 /nfs/dbraw/zinc/65/38/86/1029653886.db2.gz RRRRDYPHQKDLRD-HRAATJIYSA-N 0 0 381.472 3.803 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)c3csc(C(F)(F)F)n3)C2)cc1 ZINC000842876419 1029653922 /nfs/dbraw/zinc/65/39/22/1029653922.db2.gz SLGBYGGYYMITIN-LLVKDONJSA-N 0 0 386.395 3.854 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000842878497 1029655639 /nfs/dbraw/zinc/65/56/39/1029655639.db2.gz CCFOGJQMPLVOGE-IAQFLPNQSA-N 0 0 382.416 3.686 20 10 GHCDRN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001461586993 1069625268 /nfs/dbraw/zinc/62/52/68/1069625268.db2.gz SZFNXQAYAUYYCP-YLJYHZDGSA-N 0 0 392.902 3.811 20 10 GHCDRN O=C1/C(=C\c2ccnn2-c2ccccn2)SC(=S)N1C(C1CC1)C1CC1 ZINC000843269078 1029875621 /nfs/dbraw/zinc/87/56/21/1029875621.db2.gz MSDSFTZHEVJWJZ-RVDMUPIBSA-N 0 0 382.514 3.657 20 10 GHCDRN CC[C@H](C)C[C@@H](NC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1)C(=O)OC 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SFBVJFNXCRQHSG-UHFFFAOYSA-N 0 0 398.503 3.647 20 10 GHCDRN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NCc1cc(F)c(N(C)C)cc1F ZINC001261789243 1046093937 /nfs/dbraw/zinc/09/39/37/1046093937.db2.gz XKBHPCGQMMYODP-HXUWFJFHSA-N 0 0 389.446 3.561 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C[S@@](C)=O)c2ccccc2)cc1 ZINC000746608846 1046144432 /nfs/dbraw/zinc/14/44/32/1046144432.db2.gz JREONVOMTYUZMD-JIPXPUAJSA-N 0 0 380.513 3.944 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC001301510046 1046573050 /nfs/dbraw/zinc/57/30/50/1046573050.db2.gz JGUCPQBVTITULO-IBGZPJMESA-N 0 0 396.535 3.539 20 10 GHCDRN CN(C)c1ccc(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1F ZINC000746827475 1046619145 /nfs/dbraw/zinc/61/91/45/1046619145.db2.gz YSEZLGZTINHZBU-UHFFFAOYSA-N 0 0 385.317 3.749 20 10 GHCDRN COCCO[C@H](C)c1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1C1CC1 ZINC001301975286 1046773394 /nfs/dbraw/zinc/77/33/94/1046773394.db2.gz IHKDQSFWWCRWNY-QGZVFWFLSA-N 0 0 399.539 3.574 20 10 GHCDRN 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[O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CCCC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001279664057 1047903787 /nfs/dbraw/zinc/90/37/87/1047903787.db2.gz PRCZGOKJAPNXBH-UHFFFAOYSA-N 0 0 381.307 3.520 20 10 GHCDRN CC(C)NC(=O)N1CC2(C1)CCC[N@H+](Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001279676941 1047910438 /nfs/dbraw/zinc/91/04/38/1047910438.db2.gz SBWSEDDMQCGJRA-UHFFFAOYSA-N 0 0 386.323 3.715 20 10 GHCDRN Cc1ncsc1CN1CC2(C1)CN(Cc1c(O)ccc(Cl)c1Cl)C2 ZINC001279676527 1047910546 /nfs/dbraw/zinc/91/05/46/1047910546.db2.gz GRTVFOXVSZRJLC-UHFFFAOYSA-N 0 0 384.332 3.782 20 10 GHCDRN CC[C@H](C)c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1Cc1ccc(N(C)C)cc1C ZINC001305423378 1048043377 /nfs/dbraw/zinc/04/33/77/1048043377.db2.gz WYXOGGFCYZKVOU-SZMVWBNQSA-N 0 0 385.556 3.828 20 10 GHCDRN CCn1cc(NC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)c(C(N)=O)n1 ZINC001306096882 1048420323 /nfs/dbraw/zinc/42/03/23/1048420323.db2.gz PCDKTUDMRJZWDC-UHFFFAOYSA-N 0 0 393.491 3.785 20 10 GHCDRN CC[C@@H]1[C@H](C)CCN1c1nnc([C@H]2CCOC2)n1Cc1ccc(N(C)C)cc1C ZINC001306273017 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O=C(NCc1nc(-c2ccc(Cl)cc2)no1)NCc1cccc(Cl)c1O ZINC001312024442 1052535581 /nfs/dbraw/zinc/53/55/81/1052535581.db2.gz OVKBVHSNRISEHS-UHFFFAOYSA-N 0 0 393.230 3.748 20 10 GHCDRN CCC(CC)(CNC(=O)N[C@H](C)c1ccccc1O)NC(=O)OC(C)(C)C ZINC001312177650 1052618196 /nfs/dbraw/zinc/61/81/96/1052618196.db2.gz JISBHCYCEUSTED-CQSZACIVSA-N 0 0 379.501 3.836 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)NCc3c(C)oc4ccccc43)C2)cc1 ZINC001312448506 1052748014 /nfs/dbraw/zinc/74/80/14/1052748014.db2.gz JTQGSHQCSXIWRU-INIZCTEOSA-N 0 0 379.460 3.828 20 10 GHCDRN CC[C@@]1(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)OCCc2ccccc21 ZINC001312530206 1052779734 /nfs/dbraw/zinc/77/97/34/1052779734.db2.gz BBQMSMFQXFVPKY-SBUREZEXSA-N 0 0 381.520 3.991 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCc4ccc(F)cc43)C2)cc1 ZINC001312639927 1052820699 /nfs/dbraw/zinc/82/06/99/1052820699.db2.gz LMBDMFSBXQIGSP-LAUBAEHRSA-N 0 0 383.467 3.790 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[Si](C)(C)c1ccccc1 ZINC001312678575 1052835633 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GHCDRN NC(=O)CCc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC001319376201 1055213093 /nfs/dbraw/zinc/21/30/93/1055213093.db2.gz PEMZMPURVYJVNH-UHFFFAOYSA-N 0 0 382.464 3.615 20 10 GHCDRN Cc1cc(C(=O)COc2c(CO)cc(F)cc2CO)c(C)n1-c1ccccc1C ZINC001320442738 1055807313 /nfs/dbraw/zinc/80/73/13/1055807313.db2.gz KMDUVXVGCWEVTF-UHFFFAOYSA-N 0 0 397.446 3.788 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCC2([S@@](C)=O)CCC2)c1 ZINC001321133486 1056113145 /nfs/dbraw/zinc/11/31/45/1056113145.db2.gz MNQAVVZXVSOSMN-RUZDIDTESA-N 0 0 378.925 3.779 20 10 GHCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1csc2cc(C)ccc12 ZINC001321149382 1056121012 /nfs/dbraw/zinc/12/10/12/1056121012.db2.gz NDWHGKFZIWPQPJ-INIZCTEOSA-N 0 0 399.468 3.525 20 10 GHCDRN CN(C)c1ccc(/C=C\C[N@@H+]2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3F)C2)cc1 ZINC001353916101 1056127636 /nfs/dbraw/zinc/12/76/36/1056127636.db2.gz QVBFXJSUOCOJMZ-QZPVUJMKSA-N 0 0 386.442 3.844 20 10 GHCDRN O=C(CCOc1cc(Cl)ccc1Cl)OCC(=O)c1ccc(O)c(O)c1 ZINC001321311424 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20 10 GHCDRN COc1cc(Br)cc([C@H](C)Nc2cnn(CC(F)F)c2)c1O ZINC000848540478 1057160962 /nfs/dbraw/zinc/16/09/62/1057160962.db2.gz OEROETLFUOALNP-QMMMGPOBSA-N 0 0 376.201 3.798 20 10 GHCDRN C/C=C\COc1cccc(CC(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1 ZINC001355456943 1057167585 /nfs/dbraw/zinc/16/75/85/1057167585.db2.gz KRSMIPXOEQDMOM-ARJAWSKDSA-N 0 0 394.515 3.932 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1cc(Br)cc(F)c1[O-] ZINC000848557848 1057177665 /nfs/dbraw/zinc/17/76/65/1057177665.db2.gz HVYFLGCNGZNOMN-QFYYESIMSA-N 0 0 393.256 3.898 20 10 GHCDRN COCC1(C[NH2+][C@H](C)c2cc(Br)cc(Br)c2[O-])CC1 ZINC000848560464 1057178878 /nfs/dbraw/zinc/17/88/78/1057178878.db2.gz GGNYQIBUEURASB-SECBINFHSA-N 0 0 393.119 3.994 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)c3cccc([C@H]4CCOC4)c3)CC2)cc1 ZINC001324627536 1057183595 /nfs/dbraw/zinc/18/35/95/1057183595.db2.gz VOWXPOXGSURQOV-FQEVSTJZSA-N 0 0 380.488 3.552 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)n1ccc(C(F)(F)F)n1 ZINC001355636361 1057237052 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GHCDRN CC(=O)Nc1cccc(CNC(=O)Cc2cc(C)n(-c3ccccc3)c2C)c1 ZINC001357185048 1057628095 /nfs/dbraw/zinc/62/80/95/1057628095.db2.gz MEDNTNGUIKOPPW-UHFFFAOYSA-N 0 0 375.472 3.911 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@H]2CC2CCOCC2)cc1 ZINC001439903796 1058341867 /nfs/dbraw/zinc/34/18/67/1058341867.db2.gz MVROHAZMLMTWCA-JOCHJYFZSA-N 0 0 382.504 3.752 20 10 GHCDRN CC(C)c1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cn1 ZINC001338062701 1058388781 /nfs/dbraw/zinc/38/87/81/1058388781.db2.gz DXXOLRNZWDIPDI-UHFFFAOYSA-N 0 0 380.492 3.949 20 10 GHCDRN CN1CCCc2cc(CNC(=O)N3CCC(Nc4ccccc4)CC3)ccc21 ZINC001338270963 1058487232 /nfs/dbraw/zinc/48/72/32/1058487232.db2.gz PENFWONKRWGRRC-UHFFFAOYSA-N 0 0 378.520 3.855 20 10 GHCDRN Cc1cc(Br)c(N)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC001440663442 1058565878 /nfs/dbraw/zinc/56/58/78/1058565878.db2.gz PKIBWKPRMIOBPO-UHFFFAOYSA-N 0 0 376.298 3.678 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)n1CC1CC1 ZINC001338561415 1058640944 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GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[nH]2)cc1 ZINC001456385638 1062652429 /nfs/dbraw/zinc/65/24/29/1062652429.db2.gz PJBBKQXOLRZLRT-LBPRGKRZSA-N 0 0 377.370 3.722 20 10 GHCDRN CC(C)(C)OC(=O)NCC[C@H](NCc1ccc(N2CCCC2)cc1)C(F)F ZINC001347792002 1062670239 /nfs/dbraw/zinc/67/02/39/1062670239.db2.gz MUMIICIKABWBCM-KRWDZBQOSA-N 0 0 383.483 3.925 20 10 GHCDRN Cc1cc(CC(=O)NCc2[nH]cc(C)c(=O)c2C)c(C)n1-c1ccc(Cl)cc1 ZINC001456419270 1062670594 /nfs/dbraw/zinc/67/05/94/1062670594.db2.gz MUUUNGDMJRDIKQ-UHFFFAOYSA-N 0 0 397.906 3.912 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)c3ccsc3Br)CC2)cc1 ZINC001347828025 1062705797 /nfs/dbraw/zinc/70/57/97/1062705797.db2.gz SBNZCWHIOKOFHH-UHFFFAOYSA-N 0 0 395.322 3.872 20 10 GHCDRN COC(=O)c1cnc(CCNC(=O)c2cc(C)n(-c3ccccc3C)c2C)s1 ZINC001456619279 1062784240 /nfs/dbraw/zinc/78/42/40/1062784240.db2.gz OUEVUZQSAUVOLQ-UHFFFAOYSA-N 0 0 397.500 3.618 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](CO)c1cc(F)ccc1F ZINC001457182345 1062999346 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3.722 20 10 GHCDRN COC(=O)/C=C/c1ccc(N2CCN(c3cc(C)ccc3C)CC2)c([N+](=O)[O-])c1 ZINC001458266242 1063705683 /nfs/dbraw/zinc/70/56/83/1063705683.db2.gz FQBQQHJJCGEVKD-VQHVLOKHSA-N 0 0 395.459 3.724 20 10 GHCDRN CC(=O)N(C)c1ccc(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)cn1 ZINC001436921077 1063708093 /nfs/dbraw/zinc/70/80/93/1063708093.db2.gz MREOBHAALIGYEX-UHFFFAOYSA-N 0 0 376.460 3.653 20 10 GHCDRN C[C@@H](Nc1cc(Cl)nc([C@H]2CCCO2)n1)c1ccc(N2CCOCC2)cc1 ZINC001349969744 1063955577 /nfs/dbraw/zinc/95/55/77/1063955577.db2.gz NEBWTVMMCGJSAT-RHSMWYFYSA-N 0 0 388.899 3.991 20 10 GHCDRN Cc1cc(CNC(=O)c2cccc3c2NC(=O)CO3)c(C)n1-c1cccc(C)c1 ZINC001438293538 1064025256 /nfs/dbraw/zinc/02/52/56/1064025256.db2.gz AIQRSXOQRKXSIJ-UHFFFAOYSA-N 0 0 389.455 3.663 20 10 GHCDRN Cc1cc(CNC(=O)c2cc(OC(F)F)n(C)n2)c(C)n1-c1cccc(C)c1 ZINC001438305606 1064026856 /nfs/dbraw/zinc/02/68/56/1064026856.db2.gz VDZFPTGYTARMHF-UHFFFAOYSA-N 0 0 388.418 3.667 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cc4ccccc4[nH]3)C2)cc1 ZINC001350455568 1064092496 /nfs/dbraw/zinc/09/24/96/1064092496.db2.gz QGJSNEHRYZKOCS-KRWDZBQOSA-N 0 0 378.476 3.597 20 10 GHCDRN CCOC(=O)COCCN(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2 ZINC001459661921 1064158240 /nfs/dbraw/zinc/15/82/40/1064158240.db2.gz JFMFEIFVTNRCMV-TWGQIWQCSA-N 0 0 397.471 3.557 20 10 GHCDRN CC(C)n1cc(Br)c(C(=O)Nc2c3nonc3ccc2Cl)n1 ZINC001459790061 1064219059 /nfs/dbraw/zinc/21/90/59/1064219059.db2.gz UODHEOFGMICTBY-UHFFFAOYSA-N 0 0 384.621 3.668 20 10 GHCDRN CCOc1ccc(NC(=O)[C@@H](C)N2CCN(c3ccc(OCC)cc3)CC2)cc1 ZINC001459797023 1064221181 /nfs/dbraw/zinc/22/11/81/1064221181.db2.gz NDVPCPHHLPWQNL-GOSISDBHSA-N 0 0 397.519 3.633 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)Nc2cnc(C(N)=O)s2)cc1 ZINC001439472361 1064252526 /nfs/dbraw/zinc/25/25/26/1064252526.db2.gz LRYATSJPKPLJNW-UHFFFAOYSA-N 0 0 394.460 3.976 20 10 GHCDRN COc1cc(N2CC[NH+](Cc3cccc4ncccc34)CC2)cc(OC)c1OC ZINC001459909463 1064267236 /nfs/dbraw/zinc/26/72/36/1064267236.db2.gz LKGPCPVTZLRNCY-UHFFFAOYSA-N 0 0 393.487 3.583 20 10 GHCDRN C[C@@H]1CCCC[C@@H]1N(C)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001459948399 1064295386 /nfs/dbraw/zinc/29/53/86/1064295386.db2.gz GVESRUQGPMZGDT-QRWLVFNGSA-N 0 0 390.483 3.911 20 10 GHCDRN CN(C)c1ccc(CNC(=O)c2cc(F)cc(Br)c2F)cc1F ZINC001351738924 1064582692 /nfs/dbraw/zinc/58/26/92/1064582692.db2.gz UTAZLTQELPRTNL-UHFFFAOYSA-N 0 0 387.199 3.862 20 10 GHCDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)Cc2ccc(N3CCCC3)cc2)c1 ZINC001463802990 1064630571 /nfs/dbraw/zinc/63/05/71/1064630571.db2.gz AEDXCVYJXMEHOF-UHFFFAOYSA-N 0 0 397.475 3.931 20 10 GHCDRN O=C(CCCc1ccc(F)cc1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000847078445 1064663973 /nfs/dbraw/zinc/66/39/73/1064663973.db2.gz JXYUVFRKFLZING-UHFFFAOYSA-N 0 0 392.421 3.580 20 10 GHCDRN COCc1ccc(S(=O)(=O)Oc2ccc3c(c2)c2c(n3C)CCCC2)cc1 ZINC001463952408 1064737216 /nfs/dbraw/zinc/73/72/16/1064737216.db2.gz KKJUIMFKFIESBG-UHFFFAOYSA-N 0 0 385.485 3.971 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCNC(=O)CC2CCCCC2)cc1 ZINC001352203872 1064925507 /nfs/dbraw/zinc/92/55/07/1064925507.db2.gz QMEYDLIYXYXRDN-UHFFFAOYSA-N 0 0 381.520 3.911 20 10 GHCDRN C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCC(F)(F)CC1 ZINC000847290918 1064993039 /nfs/dbraw/zinc/99/30/39/1064993039.db2.gz DJMSDWMKRJRKJQ-CQSZACIVSA-N 0 0 399.457 3.676 20 10 GHCDRN Cc1cc(CC(=O)Nc2cccc(S(C)(=O)=O)c2)c(C)n1-c1ccccc1 ZINC001352364826 1064995961 /nfs/dbraw/zinc/99/59/61/1064995961.db2.gz QYVOELYLVSZILZ-UHFFFAOYSA-N 0 0 382.485 3.679 20 10 GHCDRN CN1CCCc2cc(CNC(=O)c3ccc(OCc4ccccc4)cn3)ccc21 ZINC001464522428 1065061568 /nfs/dbraw/zinc/06/15/68/1065061568.db2.gz WXDFHHRLMSWMHA-UHFFFAOYSA-N 0 0 387.483 3.973 20 10 GHCDRN CC(=O)CC1(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCC1 ZINC001464697744 1065161994 /nfs/dbraw/zinc/16/19/94/1065161994.db2.gz RIAPUDBHQXFSBX-UHFFFAOYSA-N 0 0 380.435 3.522 20 10 GHCDRN Cc1nc(CN2CCC(C[NH2+]Cc3cc(Cl)cc(F)c3[O-])CC2)oc1C ZINC001200095150 1065201728 /nfs/dbraw/zinc/20/17/28/1065201728.db2.gz INBNGPQYPUOKCL-UHFFFAOYSA-N 0 0 381.879 3.791 20 10 GHCDRN C/C(=C/c1ccncc1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000847408229 1065235264 /nfs/dbraw/zinc/23/52/64/1065235264.db2.gz ULDZCYUXLLSVKQ-JVCJXORTSA-N 0 0 379.504 3.759 20 10 GHCDRN COc1c(C)cccc1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000847419147 1065261407 /nfs/dbraw/zinc/26/14/07/1065261407.db2.gz PEDXOXDDBGYNMM-IBGZPJMESA-N 0 0 384.476 3.600 20 10 GHCDRN CC(C)N1C(=O)C[C@H](NC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1=O ZINC001464901007 1065264762 /nfs/dbraw/zinc/26/47/62/1065264762.db2.gz ZBAFJURAWDPWNZ-KRWDZBQOSA-N 0 0 379.420 3.759 20 10 GHCDRN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C1CCC(F)(F)CC1 ZINC000847435723 1065287575 /nfs/dbraw/zinc/28/75/75/1065287575.db2.gz RIDKWTLWKCLEBZ-MRXNPFEDSA-N 0 0 395.494 3.879 20 10 GHCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H](C)Cc2c[nH]cn2)cc1 ZINC000847480562 1065404377 /nfs/dbraw/zinc/40/43/77/1065404377.db2.gz OOLINBDPXABWKU-KRWDZBQOSA-N 0 0 392.503 3.896 20 10 GHCDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001465160256 1065427632 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398.381 3.925 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC001466120407 1065989229 /nfs/dbraw/zinc/98/92/29/1065989229.db2.gz JEDWCMJQUUQGSK-UHFFFAOYSA-N 0 0 390.491 3.746 20 10 GHCDRN Nc1ccc(CNC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC001353538967 1066012472 /nfs/dbraw/zinc/01/24/72/1066012472.db2.gz GKAWWBUXNULFBU-UHFFFAOYSA-N 0 0 382.291 3.670 20 10 GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC001466398589 1066131805 /nfs/dbraw/zinc/13/18/05/1066131805.db2.gz IKKWHJKQONCUBI-QAPCUYQASA-N 0 0 379.884 3.786 20 10 GHCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001300395736 1066207950 /nfs/dbraw/zinc/20/79/50/1066207950.db2.gz CMEORHJMKABJTB-LLVKDONJSA-N 0 0 397.233 3.507 20 10 GHCDRN COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC001466706147 1066267939 /nfs/dbraw/zinc/26/79/39/1066267939.db2.gz CEPCWPAYQPZAHV-QGZVFWFLSA-N 0 0 396.409 3.935 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC001466707800 1066268875 /nfs/dbraw/zinc/26/88/75/1066268875.db2.gz VGMRGJKCBBPEDZ-OAQYLSRUSA-N 0 0 393.462 3.806 20 10 GHCDRN CC(C)[C@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001477598355 1078484032 /nfs/dbraw/zinc/48/40/32/1078484032.db2.gz IHYVJRIGKRCCIF-QFIPXVFZSA-N 0 0 381.520 3.590 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(Cc3nc(C)no3)cc2)c1 ZINC001467386065 1067267876 /nfs/dbraw/zinc/26/78/76/1067267876.db2.gz BLYZUYBLDLAYJX-LBPRGKRZSA-N 0 0 382.420 3.566 20 10 GHCDRN CCc1ccc2c(c1)CN(C(=O)N[C@H](C)c1ccc(N3CCOCC3)cc1)CC2 ZINC001477639659 1078502751 /nfs/dbraw/zinc/50/27/51/1078502751.db2.gz ZSCWDGCMVOMORO-GOSISDBHSA-N 0 0 393.531 3.915 20 10 GHCDRN CCc1ccc2c(c1)CN(C(=O)N[C@@H](C)c1ccc(N3CCOCC3)cc1)CC2 ZINC001477639660 1078502860 /nfs/dbraw/zinc/50/28/60/1078502860.db2.gz ZSCWDGCMVOMORO-SFHVURJKSA-N 0 0 393.531 3.915 20 10 GHCDRN O=C(Cc1c[nH]c2nccc(Cl)c12)NCc1cccc(Br)c1O ZINC001467765309 1067458759 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COc1ccc(N2CCN(C(=O)NCC[C@@H]3CCCC[C@@H]3C)CC2)c(OC)c1 ZINC001468820920 1067900910 /nfs/dbraw/zinc/90/09/10/1067900910.db2.gz UGDSGSQZGWEMEI-ROUUACIJSA-N 0 0 389.540 3.752 20 10 GHCDRN COc1cccc(O[C@H](C)CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)c1 ZINC001469012752 1067952361 /nfs/dbraw/zinc/95/23/61/1067952361.db2.gz AZSAONAKPIZFTA-GOSISDBHSA-N 0 0 397.519 3.904 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@H](C)Oc1ccccc1F ZINC001469030489 1067957711 /nfs/dbraw/zinc/95/77/11/1067957711.db2.gz GPKPTNVYIKSZML-SJORKVTESA-N 0 0 387.499 3.898 20 10 GHCDRN CO[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001469106735 1067980537 /nfs/dbraw/zinc/98/05/37/1067980537.db2.gz NGMSNSQIJGXSGM-BMGDILEWSA-N 0 0 397.466 3.514 20 10 GHCDRN O=C(NCc1ccc2cccnc2c1O)c1cccc(OCc2cccnc2)c1 ZINC001469247539 1068057804 /nfs/dbraw/zinc/05/78/04/1068057804.db2.gz BPGFRBRYCBMOTH-UHFFFAOYSA-N 0 0 385.423 3.844 20 10 GHCDRN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000763113095 1068063485 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GHCDRN O=C(NCc1cccc(O)c1O)c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC001471642084 1073167275 /nfs/dbraw/zinc/16/72/75/1073167275.db2.gz JJRBZPDDZSRZNA-UHFFFAOYSA-N 0 0 378.306 3.702 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NC(C)(C)C)c(C)n1-c1cccc(C)c1 ZINC001471990631 1073293979 /nfs/dbraw/zinc/29/39/79/1073293979.db2.gz NVIVOYYHNIGYGY-HXUWFJFHSA-N 0 0 381.520 3.922 20 10 GHCDRN Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NCc2c(O)cccc2O)c1 ZINC001472062990 1073322171 /nfs/dbraw/zinc/32/21/71/1073322171.db2.gz BCEBEJPKQDMYBS-UHFFFAOYSA-N 0 0 375.424 3.876 20 10 GHCDRN COC(=O)C[C@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)C(C)(C)C ZINC001472075034 1073326367 /nfs/dbraw/zinc/32/63/67/1073326367.db2.gz FQEIGWKOJSSULC-IBGZPJMESA-N 0 0 386.492 3.810 20 10 GHCDRN Cc1cc(CNC(=O)N[C@H]2c3ccccc3C[C@@H]2O)c(C)n1-c1ccccc1 ZINC001479102527 1079103754 /nfs/dbraw/zinc/10/37/54/1079103754.db2.gz KLZGGUNYTVCTBW-VXKWHMMOSA-N 0 0 375.472 3.552 20 10 GHCDRN CCOC(=O)Cc1cccc(N(C)C(=O)c2cc(C)n(-c3ccccn3)c2C)c1 ZINC001472342770 1073435063 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3.818 20 10 GHCDRN CCN(CC)c1ccc(CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])cc1F ZINC001472691335 1073622208 /nfs/dbraw/zinc/62/22/08/1073622208.db2.gz OBDRDEPHKQAXPP-UHFFFAOYSA-N 0 0 375.400 3.979 20 10 GHCDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N[C@H]1CCN(CC(F)F)C1 ZINC001472808192 1073674915 /nfs/dbraw/zinc/67/49/15/1073674915.db2.gz KELVJLXPUNOMRQ-AWEZNQCLSA-N 0 0 375.375 3.577 20 10 GHCDRN COc1ccc(N2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)c(OC)c1 ZINC001472858008 1073697276 /nfs/dbraw/zinc/69/72/76/1073697276.db2.gz NUNISYQWDGWCNI-UHFFFAOYSA-N 0 0 377.828 3.592 20 10 GHCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@@H](c3nc4c(s3)CCC4)C2)cc1OC ZINC001472880067 1073709433 /nfs/dbraw/zinc/70/94/33/1073709433.db2.gz RREUBRUGBCVYNM-GFCCVEGCSA-N 0 0 389.477 3.941 20 10 GHCDRN O=c1[nH]c(CSc2ncc(Cl)s2)nc2c1cnn2-c1ccccc1 ZINC001473065491 1073767729 /nfs/dbraw/zinc/76/77/29/1073767729.db2.gz AGRWVEVTHGFZTD-UHFFFAOYSA-N 0 0 375.866 3.923 20 10 GHCDRN CC[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)[C@@H]1C ZINC001473403252 1073950797 /nfs/dbraw/zinc/95/07/97/1073950797.db2.gz SYSUNZOLRIFIFA-OWCLPIDISA-N 0 0 390.483 3.909 20 10 GHCDRN CCOC(=O)[C@@H]1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC001473844365 1074171262 /nfs/dbraw/zinc/17/12/62/1074171262.db2.gz AZJGQADXBGCJOT-MRXNPFEDSA-N 0 0 380.448 3.926 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CCOC12CCCC2 ZINC001479535736 1079224637 /nfs/dbraw/zinc/22/46/37/1079224637.db2.gz LGLKQUGNMPQBIF-INIZCTEOSA-N 0 0 397.313 3.788 20 10 GHCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])c1nnc2ccccn21 ZINC001473921604 1074204890 /nfs/dbraw/zinc/20/48/90/1074204890.db2.gz OEFYLJBVMDDBAT-VIFPVBQESA-N 0 0 381.661 3.702 20 10 GHCDRN COc1ccccc1O[C@@H](C)C[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC001474027212 1074240465 /nfs/dbraw/zinc/24/04/65/1074240465.db2.gz CNJXPEIWCZWOFR-NSHDSACASA-N 0 0 384.245 3.860 20 10 GHCDRN Cn1cc(C[C@H]2CC[N@H+](Cc3cc(Cl)cc(Br)c3[O-])C2)cn1 ZINC001474360239 1074363147 /nfs/dbraw/zinc/36/31/47/1074363147.db2.gz MDPSMVAYEXNXAW-LLVKDONJSA-N 0 0 384.705 3.606 20 10 GHCDRN CN(Cc1nc(-c2cccs2)no1)Cc1c(O)cccc1Br ZINC001474519721 1074446364 /nfs/dbraw/zinc/44/63/64/1074446364.db2.gz RFPMSHXKNBFIFM-UHFFFAOYSA-N 0 0 380.267 3.898 20 10 GHCDRN Cc1cc(O)c(CN2c3ccccc3C[C@H]2CNC(=O)C(F)(F)F)cc1Cl ZINC001474588635 1074473506 /nfs/dbraw/zinc/47/35/06/1074473506.db2.gz NOMSKWWCMAJFNN-AWEZNQCLSA-N 0 0 398.812 3.964 20 10 GHCDRN COC(=O)c1c(CNCc2ccc(C)nc2Cl)c2cc(F)ccc2n1C ZINC001474686261 1074515449 /nfs/dbraw/zinc/51/54/49/1074515449.db2.gz QFEWSTADCUJHEB-UHFFFAOYSA-N 0 0 375.831 3.751 20 10 GHCDRN COc1ccccc1NC(=O)c1c(C)[nH]nc1NCc1cc(F)c(F)cc1O ZINC001474750396 1074544714 /nfs/dbraw/zinc/54/47/14/1074544714.db2.gz NBAICFJLGOMNQO-UHFFFAOYSA-N 0 0 388.374 3.575 20 10 GHCDRN COc1ccc([C@@H]2CN(Cc3cc(F)c(N(C)C)cc3F)CCO2)cc1OC ZINC001474751828 1074545361 /nfs/dbraw/zinc/54/53/61/1074545361.db2.gz FYVWAJGSQMAXOA-NRFANRHFSA-N 0 0 392.446 3.622 20 10 GHCDRN CN(C)c1cc(F)c(CN2CC[C@H]3CC[C@@]32CNC(=O)OC(C)(C)C)cc1F ZINC001474761323 1074548827 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O=C1CN(Cc2ccc(OCc3ccccc3)cc2)[C@H](c2cc(F)ccc2O)N1 ZINC000920405691 882083078 /nfs/dbraw/zinc/08/30/78/882083078.db2.gz FKHLZYRFQGRZGI-HSZRJFAPSA-N 0 0 392.430 3.741 20 10 GHCDRN CC/C=C(/C)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000742751536 867548612 /nfs/dbraw/zinc/54/86/12/867548612.db2.gz VBDLWYVQZLZQEP-YHTSIIMFSA-N 0 0 375.513 3.791 20 10 GHCDRN CC(C)[C@@H](C)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000742754234 867550720 /nfs/dbraw/zinc/55/07/20/867550720.db2.gz NZTWCVZOOHVZRL-CRAIPNDOSA-N 0 0 377.529 3.727 20 10 GHCDRN CCC/C=C/C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000742753916 867552846 /nfs/dbraw/zinc/55/28/46/867552846.db2.gz MPAHRCJYPBIEOM-QZEKMECESA-N 0 0 375.513 3.791 20 10 GHCDRN COC(=O)N[C@@H](CC(C)C)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000920436289 882124743 /nfs/dbraw/zinc/12/47/43/882124743.db2.gz ALBIJWVUASICEL-FQEVSTJZSA-N 0 0 385.508 3.524 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1cc(N2CCCC2=O)ccc1F ZINC000743116476 867865864 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COC(=O)c1cccn2cc(CSc3ncc(-c4ccccc4)n3C)nc12 ZINC000071823916 868950685 /nfs/dbraw/zinc/95/06/85/868950685.db2.gz VUIWHCVCLNFHAW-UHFFFAOYSA-N 0 0 378.457 3.814 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3ccc4c(c3)CC(C)(C)O4)CC2)cc1 ZINC000857439538 882266970 /nfs/dbraw/zinc/26/69/70/882266970.db2.gz BUAHXTHUVIDLMD-UHFFFAOYSA-N 0 0 380.488 3.761 20 10 GHCDRN CC1(C)Cc2cc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)ccc2O1 ZINC000857476218 882289884 /nfs/dbraw/zinc/28/98/84/882289884.db2.gz VJHYTOJKCIVSKH-IBGZPJMESA-N 0 0 381.472 3.927 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2cc(C3CC3)n(C)n2)c(C)n1-c1cccc(F)c1 ZINC000745264358 869424831 /nfs/dbraw/zinc/42/48/31/869424831.db2.gz XJTZDNQPQGGTQF-UHFFFAOYSA-N 0 0 395.434 3.884 20 10 GHCDRN COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(N(C)C)cc2C)cc1SC ZINC000115282042 882325387 /nfs/dbraw/zinc/32/53/87/882325387.db2.gz DWLVQKMIDSVFES-UHFFFAOYSA-N 0 0 389.477 3.630 20 10 GHCDRN CC[C@H]1C[C@@H](C)CN1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000745608448 869672071 /nfs/dbraw/zinc/67/20/71/869672071.db2.gz HXBYWYDAZLVPLJ-ZBFHGGJFSA-N 0 0 399.457 3.872 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@H]2CCc3c[nH]nc3C2)c(C)n1-c1cccc(C)c1 ZINC000745625023 869688622 /nfs/dbraw/zinc/68/86/22/869688622.db2.gz HBNXBAFMSWHLLJ-KRWDZBQOSA-N 0 0 391.471 3.657 20 10 GHCDRN COc1c(O)c(CN2CCc3ccc(Br)cc3C2)ccc1[N+](=O)[O-] ZINC000793617185 882333058 /nfs/dbraw/zinc/33/30/58/882333058.db2.gz WRHCFXMYRZCHGJ-UHFFFAOYSA-N 0 0 393.237 3.630 20 10 GHCDRN COC(=O)C[C@@](C)(NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1ccncc1 ZINC000776946940 882342284 /nfs/dbraw/zinc/34/22/84/882342284.db2.gz CHATVQJWAZBQFK-HSZRJFAPSA-N 0 0 391.471 3.697 20 10 GHCDRN COc1ccc2c(c1)OCC[C@@H]2NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000745860810 869863237 /nfs/dbraw/zinc/86/32/37/869863237.db2.gz DORHMBCONSLKMA-NRFANRHFSA-N 0 0 395.503 3.959 20 10 GHCDRN COc1cccc(CNC(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)c1O ZINC000745898441 869871475 /nfs/dbraw/zinc/87/14/75/869871475.db2.gz XCWZGKUQSLCPST-GFCCVEGCSA-N 0 0 383.231 3.641 20 10 GHCDRN CCOCCOc1ccc(Cl)cc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000761638838 882360584 /nfs/dbraw/zinc/36/05/84/882360584.db2.gz WRDWQQDVPVVOJL-UHFFFAOYSA-N 0 0 394.855 3.531 20 10 GHCDRN COC(=O)[C@H]1CCC[C@H](C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)C1 ZINC000746106677 870048522 /nfs/dbraw/zinc/04/85/22/870048522.db2.gz VFVLVQZLVJJFTI-PMACEKPBSA-N 0 0 382.504 3.732 20 10 GHCDRN CCN(CC(=O)NCc1c(C)nn(-c2ccccc2)c1C)c1ccc(OC)cc1 ZINC000746107768 870049846 /nfs/dbraw/zinc/04/98/46/870049846.db2.gz PGKUHAKPTMMMOZ-UHFFFAOYSA-N 0 0 392.503 3.640 20 10 GHCDRN CCN(CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)c1ccc(OC)cc1 ZINC000746109952 870054791 /nfs/dbraw/zinc/05/47/91/870054791.db2.gz XQUDFXBZPPWIQA-FQEVSTJZSA-N 0 0 398.503 3.902 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(NC=O)cc2)cc1 ZINC000746117568 870060025 /nfs/dbraw/zinc/06/00/25/870060025.db2.gz GRQWLXUABSPTHQ-UHFFFAOYSA-N 0 0 377.444 3.757 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000793690232 882367644 /nfs/dbraw/zinc/36/76/44/882367644.db2.gz SPSYYDFVBRIHFH-KKUMJFAQSA-N 0 0 392.496 3.614 20 10 GHCDRN CC(C)Oc1cccc(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000065434676 870100364 /nfs/dbraw/zinc/10/03/64/870100364.db2.gz GIQHCDAOMUPVGW-GOSISDBHSA-N 0 0 397.519 3.871 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1csc(-c2ccc(O)cc2)n1 ZINC000746328941 870319734 /nfs/dbraw/zinc/31/97/34/870319734.db2.gz AOMLJTVJTMQJNZ-UHFFFAOYSA-N 0 0 381.457 3.621 20 10 GHCDRN Cc1cc(CCNC(=O)[C@@H]2COc3ccccc3O2)c(C)n1-c1ccccc1 ZINC000746426065 870657556 /nfs/dbraw/zinc/65/75/56/870657556.db2.gz MQWKBKSUYMSUTM-QFIPXVFZSA-N 0 0 376.456 3.593 20 10 GHCDRN C[C@@H](NC(=O)c1sccc1-n1cccc1)c1ccc(N2CCOCC2)cc1 ZINC000920888542 882439194 /nfs/dbraw/zinc/43/91/94/882439194.db2.gz PCABPEIAMKBQIN-MRXNPFEDSA-N 0 0 381.501 3.866 20 10 GHCDRN COCCN(Cc1ccn(-c2cccc(F)c2)n1)c1ccc(OC)c(OC)c1 ZINC000746474928 870813093 /nfs/dbraw/zinc/81/30/93/870813093.db2.gz PFRHQMUTEYEASR-UHFFFAOYSA-N 0 0 385.439 3.682 20 10 GHCDRN CCOC(=O)c1cnn2c1[nH]c(CN1c3ccccc3CC[C@H]1C(C)C)cc2=O ZINC001193020593 870849497 /nfs/dbraw/zinc/84/94/97/870849497.db2.gz BZJYSBUWRMGCDY-SFHVURJKSA-N 0 0 394.475 3.589 20 10 GHCDRN CN(C)c1ccc(-c2nc(C(=O)N3CCC4(C[C@H](F)CO4)CC3)cs2)cc1 ZINC001193174545 870907537 /nfs/dbraw/zinc/90/75/37/870907537.db2.gz RKPXZQIKGWBWAT-HNNXBMFYSA-N 0 0 389.496 3.609 20 10 GHCDRN O=C(Nc1ccc2nc(-c3ccccc3F)nn2c1)c1ccc(O)c(O)c1Cl ZINC001193218540 870951786 /nfs/dbraw/zinc/95/17/86/870951786.db2.gz BCOBHCNJYNGEBZ-UHFFFAOYSA-N 0 0 398.781 3.852 20 10 GHCDRN COc1ccc(C(=O)CCC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000747150614 882460614 /nfs/dbraw/zinc/46/06/14/882460614.db2.gz ROKNMOXESWFHPW-UHFFFAOYSA-N 0 0 380.488 3.915 20 10 GHCDRN O=C(Nc1ccc(OC[C@@H]2CCCO2)c(F)c1)c1ccc(O)c(O)c1Cl ZINC001193232994 870962655 /nfs/dbraw/zinc/96/26/55/870962655.db2.gz TWNSGMOXOKLYCE-NSHDSACASA-N 0 0 381.787 3.700 20 10 GHCDRN O=C(NCCCc1cccc(F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000069468173 870962634 /nfs/dbraw/zinc/96/26/34/870962634.db2.gz RLEFNBVCRVQOJH-FQEVSTJZSA-N 0 0 386.467 3.855 20 10 GHCDRN C[C@@H](NC(=O)CCN(C)C(=O)OCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000793855384 882463501 /nfs/dbraw/zinc/46/35/01/882463501.db2.gz HPYIRBVAKWCNFD-QGZVFWFLSA-N 0 0 383.492 3.589 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)cc1 ZINC000103065281 871127315 /nfs/dbraw/zinc/12/73/15/871127315.db2.gz BOQRKIGSZSAMRX-UHFFFAOYSA-N 0 0 395.484 3.877 20 10 GHCDRN Cc1c(C(=O)N[C@H]2CCCNC(=O)C2)cc(-c2ccccc2)n1-c1ccccc1 ZINC001193557198 871183922 /nfs/dbraw/zinc/18/39/22/871183922.db2.gz VSBYMQWXJSMORZ-IBGZPJMESA-N 0 0 387.483 3.851 20 10 GHCDRN Oc1cc(Cl)c(Cl)cc1CN1CCn2c(Br)cnc2C1 ZINC001236795219 871267917 /nfs/dbraw/zinc/26/79/17/871267917.db2.gz BWTYGDUERPSZEK-UHFFFAOYSA-N 0 0 377.069 3.674 20 10 GHCDRN C[C@H]1CCC[C@@H](CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000793942056 882514916 /nfs/dbraw/zinc/51/49/16/882514916.db2.gz LVBJAYMQGFXRIG-AZUAARDMSA-N 0 0 385.552 3.578 20 10 GHCDRN Cc1coc(CNS(=O)(=O)c2ccc(/N=N/c3ccc(N(C)C)cc3)cc2)n1 ZINC001194187481 871544935 /nfs/dbraw/zinc/54/49/35/871544935.db2.gz GMZHRDPGLYMMJA-GHVJWSGMSA-N 0 0 399.476 3.943 20 10 GHCDRN COC(=O)c1cc(NS(=O)(=O)c2cccc3c(Cl)cccc32)ccc1O ZINC001194428531 871710377 /nfs/dbraw/zinc/71/03/77/871710377.db2.gz DJZKBQXSYQUMTB-UHFFFAOYSA-N 0 0 391.832 3.786 20 10 GHCDRN CCc1c(NC(=O)N2CCOc3cc(N(C)C)ccc32)cnn1-c1ccccc1 ZINC000525972245 871777009 /nfs/dbraw/zinc/77/70/09/871777009.db2.gz SZBAHHRFKASCQN-UHFFFAOYSA-N 0 0 391.475 3.932 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000921053427 882550062 /nfs/dbraw/zinc/55/00/62/882550062.db2.gz PQVAANSAEHEJRL-UHFFFAOYSA-N 0 0 381.520 3.861 20 10 GHCDRN O=C(c1ccccc1)N1CCC[C@H]([NH2+]Cc2cc(Cl)c3cccnc3c2[O-])C1 ZINC001169730498 871826121 /nfs/dbraw/zinc/82/61/21/871826121.db2.gz MNAHLMNWTLPEIO-KRWDZBQOSA-N 0 0 395.890 3.988 20 10 GHCDRN Cc1nccn1-c1ccc(CNC(=O)NCc2ccc(N(C)C)cc2C)cc1F ZINC000115667450 882584904 /nfs/dbraw/zinc/58/49/04/882584904.db2.gz XLWOYIYEVCCFLI-UHFFFAOYSA-N 0 0 395.482 3.694 20 10 GHCDRN CC(C)c1cccc(S(=O)(=O)NCc2cc(Br)ccc2O)c1 ZINC001195178903 872205811 /nfs/dbraw/zinc/20/58/11/872205811.db2.gz BRPHVVZXNCZDIP-UHFFFAOYSA-N 0 0 384.295 3.757 20 10 GHCDRN CN1CCCc2cc(CNC(=O)c3cc(COc4ccccc4F)on3)ccc21 ZINC000767072244 872231744 /nfs/dbraw/zinc/23/17/44/872231744.db2.gz VNQIPUIKVSHSOE-UHFFFAOYSA-N 0 0 395.434 3.705 20 10 GHCDRN O=S(=O)(Cc1ccc2ccccc2c1)NCCCSc1nccs1 ZINC000767082213 872252933 /nfs/dbraw/zinc/25/29/33/872252933.db2.gz YYYOUKOPADVWDK-UHFFFAOYSA-N 0 0 378.544 3.898 20 10 GHCDRN CC(C)NC(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1 ZINC000767296296 872384969 /nfs/dbraw/zinc/38/49/69/872384969.db2.gz PUGZYRFFJVYXDJ-UHFFFAOYSA-N 0 0 381.520 3.942 20 10 GHCDRN C[C@@H]1CN(C(=O)/C=C/c2cncc(F)c2)c2cc(Br)ccc2O1 ZINC000767312161 872414991 /nfs/dbraw/zinc/41/49/91/872414991.db2.gz PNOMXOJAYKOGMC-XGQHYKRYSA-N 0 0 377.213 3.811 20 10 GHCDRN CN(CCc1ccccc1C(=O)N1CCc2nc(F)ccc21)C(=O)OC(C)(C)C ZINC000857892271 882617573 /nfs/dbraw/zinc/61/75/73/882617573.db2.gz OHTXSKULDHBODR-UHFFFAOYSA-N 0 0 399.466 3.833 20 10 GHCDRN CCN1C(=O)/C(=C/c2c(C)nn(Cc3ccc(OC)cc3)c2C)SC1=S ZINC000767341158 872432121 /nfs/dbraw/zinc/43/21/21/872432121.db2.gz SLIOGUFHUCFDRR-YVLHZVERSA-N 0 0 387.530 3.778 20 10 GHCDRN O=C(NCCc1cccs1)C1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775665574 872516798 /nfs/dbraw/zinc/51/67/98/872516798.db2.gz TYAWXNTXNWLPGI-UHFFFAOYSA-N 0 0 396.915 3.817 20 10 GHCDRN C[C@H]([NH2+][C@@H](CCO)C1CCOCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000763558632 872536973 /nfs/dbraw/zinc/53/69/73/872536973.db2.gz SAGHLQWNSIIMAX-BONVTDFDSA-N 0 0 392.721 3.636 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)N[C@@H]3CCO[C@@H](C(C)(C)C)C3)CC2)cc1 ZINC000763570125 872614959 /nfs/dbraw/zinc/61/49/59/872614959.db2.gz FZUXACPIYGTTSQ-YLJYHZDGSA-N 0 0 389.540 3.511 20 10 GHCDRN Cc1cc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(F)c3[O-])CC2)c(C)o1 ZINC000775678603 872811543 /nfs/dbraw/zinc/81/15/43/872811543.db2.gz FYHPEPQUKOLQDQ-UHFFFAOYSA-N 0 0 380.847 3.789 20 10 GHCDRN COC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000794216915 882656781 /nfs/dbraw/zinc/65/67/81/882656781.db2.gz YNNTTZMNOFMJDS-LIRRHRJNSA-N 0 0 398.438 3.894 20 10 GHCDRN COc1cccc(-c2nsc(NC(=O)NCc3ccc(N(C)C)cc3)n2)c1 ZINC000182839950 872849312 /nfs/dbraw/zinc/84/93/12/872849312.db2.gz LSPGXLTUFMNHRH-UHFFFAOYSA-N 0 0 383.477 3.601 20 10 GHCDRN COc1cccc(NC(=S)NCc2cccc(NC(=O)OC(C)(C)C)n2)c1 ZINC001196080761 872868357 /nfs/dbraw/zinc/86/83/57/872868357.db2.gz SSJUODPKHMTLPH-UHFFFAOYSA-N 0 0 388.493 3.924 20 10 GHCDRN COC(=O)COc1ccc([C@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])cc1 ZINC000767877834 872908521 /nfs/dbraw/zinc/90/85/21/872908521.db2.gz WXUWETJEAXOFOW-LBPRGKRZSA-N 0 0 391.851 3.651 20 10 GHCDRN COc1ccc(N2CCCN(S(=O)(=O)c3cccc(C)c3Cl)CC2)cc1 ZINC000775690237 872928585 /nfs/dbraw/zinc/92/85/85/872928585.db2.gz LWILAMHSPRYZAE-UHFFFAOYSA-N 0 0 394.924 3.558 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CNC(=O)CCC1CCCC1 ZINC000102324786 872935613 /nfs/dbraw/zinc/93/56/13/872935613.db2.gz AESASMCGTUBLGD-UHFFFAOYSA-N 0 0 385.552 3.722 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)CCCOc3ccc(F)cc3)CC2)cc1 ZINC000102382222 872985774 /nfs/dbraw/zinc/98/57/74/872985774.db2.gz CNMHLMDTSKEEHL-UHFFFAOYSA-N 0 0 386.467 3.779 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000527317568 873001670 /nfs/dbraw/zinc/00/16/70/873001670.db2.gz KIXOEXWFDNUCOT-MSOLQXFVSA-N 0 0 376.456 3.678 20 10 GHCDRN Cc1cc(C(=O)N2CCC(CCC(N)=O)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000768060527 873041068 /nfs/dbraw/zinc/04/10/68/873041068.db2.gz PRBXLSRIOVRTHM-UHFFFAOYSA-N 0 0 381.520 3.829 20 10 GHCDRN Cc1oc2ccccc2c1CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000768165561 873125781 /nfs/dbraw/zinc/12/57/81/873125781.db2.gz HCCYFLUDXPRWJH-UHFFFAOYSA-N 0 0 392.499 3.809 20 10 GHCDRN O=C(CC1CCCC1)N1CCC[N@@H+](Cc2cccc(Br)c2[O-])CC1 ZINC000768251573 873191053 /nfs/dbraw/zinc/19/10/53/873191053.db2.gz PIMXDBRXVFDSQN-UHFFFAOYSA-N 0 0 395.341 3.769 20 10 GHCDRN Oc1cccc(Cl)c1CN1CCN(c2ccc(Br)cn2)CC1 ZINC000768251908 873191192 /nfs/dbraw/zinc/19/11/92/873191192.db2.gz BNIWHUNTTHRKRO-UHFFFAOYSA-N 0 0 382.689 3.525 20 10 GHCDRN CC(=O)c1cc(Cl)cc(CN2CCC(O)(Cc3ccc(F)cc3)CC2)c1O ZINC000775741833 873334175 /nfs/dbraw/zinc/33/41/75/873334175.db2.gz QBBMBKGOEQZXSZ-UHFFFAOYSA-N 0 0 391.870 3.957 20 10 GHCDRN CC(C)c1ccc(-c2cc(C(=O)NCCc3cc(O)c(O)cc3O)no2)cc1 ZINC001196752136 873351642 /nfs/dbraw/zinc/35/16/42/873351642.db2.gz XXOOBCAEILTQCP-UHFFFAOYSA-N 0 0 382.416 3.554 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNc3ccncc3Br)cc2F)C[C@H](C)O1 ZINC000768493913 873353953 /nfs/dbraw/zinc/35/39/53/873353953.db2.gz OLVJQYWODQFZNG-BETUJISGSA-N 0 0 394.288 3.631 20 10 GHCDRN Cc1cc(C(=O)N(CCCO)Cc2ccccn2)c(C)n1-c1ccccc1C ZINC000794353242 882718678 /nfs/dbraw/zinc/71/86/78/882718678.db2.gz HZRZJIYNTFVAKT-UHFFFAOYSA-N 0 0 377.488 3.822 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](C)C[C@H](C)O)c(C)n1-c1cccc(Br)c1 ZINC000783628466 873437209 /nfs/dbraw/zinc/43/72/09/873437209.db2.gz KMIBJGWYYYNPMJ-AAEUAGOBSA-N 0 0 379.298 3.746 20 10 GHCDRN COc1ccc(CNC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)c(O)c1 ZINC000794373137 882731091 /nfs/dbraw/zinc/73/10/91/882731091.db2.gz HRZBVTOHASSYQN-CVEARBPZSA-N 0 0 376.250 3.583 20 10 GHCDRN COc1ccc(CNC(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)c(O)c1 ZINC000794374538 882733864 /nfs/dbraw/zinc/73/38/64/882733864.db2.gz VXRCLTNDWKNMNI-UHFFFAOYSA-N 0 0 390.439 3.607 20 10 GHCDRN Cc1cc(Br)c(Br)nc1NCc1ccc(O)c(O)c1 ZINC001169994780 873550622 /nfs/dbraw/zinc/55/06/22/873550622.db2.gz HNFKEIDLGLIXQR-UHFFFAOYSA-N 0 0 388.059 3.938 20 10 GHCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)c1cnn(-c2cccc(F)c2)c1 ZINC001197072129 873578781 /nfs/dbraw/zinc/57/87/81/873578781.db2.gz DZNHJTRZXLQMTR-UHFFFAOYSA-N 0 0 396.809 3.849 20 10 GHCDRN Cn1cnc2c1CCN(S(=O)(=O)c1ccc(/N=N/c3ccccc3)cc1)C2 ZINC001197176543 873640529 /nfs/dbraw/zinc/64/05/29/873640529.db2.gz VVXSFBPMXHRPKR-QURGRASLSA-N 0 0 381.461 3.583 20 10 GHCDRN COc1ccc(CNC(=O)Cc2c[nH]c3cccc(Br)c23)c(O)c1 ZINC000794387988 882744585 /nfs/dbraw/zinc/74/45/85/882744585.db2.gz QYDQPHXQPFDFPZ-UHFFFAOYSA-N 0 0 389.249 3.504 20 10 GHCDRN COC(=O)CCCCNS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197197021 873645508 /nfs/dbraw/zinc/64/55/08/873645508.db2.gz QYFOKJJNPQFPAV-QZQOTICOSA-N 0 0 375.450 3.724 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)c1ncn(Cc2ccccc2)n1 ZINC001197194978 873645637 /nfs/dbraw/zinc/64/56/37/873645637.db2.gz APEVXDJKHHAULJ-FQEVSTJZSA-N 0 0 390.487 3.702 20 10 GHCDRN CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000769002990 873767427 /nfs/dbraw/zinc/76/74/27/873767427.db2.gz DKMBLRSTGCPRCM-ZFWWWQNUSA-N 0 0 383.330 3.672 20 10 GHCDRN CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000769002987 873767604 /nfs/dbraw/zinc/76/76/04/873767604.db2.gz DKMBLRSTGCPRCM-UKRRQHHQSA-N 0 0 383.330 3.672 20 10 GHCDRN COCCOc1ccc(NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)cc1 ZINC001197477365 873827774 /nfs/dbraw/zinc/82/77/74/873827774.db2.gz DFZTYTUJRRKHCD-UHFFFAOYSA-N 0 0 383.492 3.976 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1c(C)nn(CC)c1C ZINC000769291333 873978937 /nfs/dbraw/zinc/97/89/37/873978937.db2.gz MSSJFOQOACCZJU-UHFFFAOYSA-N 0 0 380.286 3.650 20 10 GHCDRN O=C(NCc1ccccc1O)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000769363079 874000814 /nfs/dbraw/zinc/00/08/14/874000814.db2.gz NLXVIXLQALSBCN-SFHVURJKSA-N 0 0 389.293 3.608 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2ccc3nnc(C(C)(C)C)n3c2)cc1 ZINC000769368832 874003689 /nfs/dbraw/zinc/00/36/89/874003689.db2.gz HXNOJSUWPILQKN-UHFFFAOYSA-N 0 0 379.508 3.803 20 10 GHCDRN COc1cc(Br)cc(CN2CCO[C@](C)(c3ccccc3)C2)c1O ZINC000769398905 874018741 /nfs/dbraw/zinc/01/87/41/874018741.db2.gz MSEKYGOJEVNTAR-IBGZPJMESA-N 0 0 392.293 3.911 20 10 GHCDRN C[C@@H]1C[N@H+](Cc2cccc(Br)c2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000769422384 874040722 /nfs/dbraw/zinc/04/07/22/874040722.db2.gz BLTXTBIJQSBWLS-DOMZBBRYSA-N 0 0 399.329 3.890 20 10 GHCDRN CCN(Cc1ccccc1)c1ccc(CN2CCC(S(C)(=O)=O)CC2)cc1 ZINC000769485605 874068553 /nfs/dbraw/zinc/06/85/53/874068553.db2.gz UHWQZBHBESJDCE-UHFFFAOYSA-N 0 0 386.561 3.722 20 10 GHCDRN COC(=O)[C@H](NCc1ccc(N(C)C)cc1)c1ccccc1OC(F)(F)F ZINC001197825654 874079505 /nfs/dbraw/zinc/07/95/05/874079505.db2.gz FHHGFLIXDYYWLV-QGZVFWFLSA-N 0 0 382.382 3.655 20 10 GHCDRN COC(=O)[C@@H](NCc1ccc(N(C)C)cc1)c1ccccc1OC(F)(F)F ZINC001197825653 874079569 /nfs/dbraw/zinc/07/95/69/874079569.db2.gz FHHGFLIXDYYWLV-KRWDZBQOSA-N 0 0 382.382 3.655 20 10 GHCDRN CCOc1cccc(CN(CC(=O)NC)Cc2cccc(C(F)(F)F)c2)c1O ZINC000769455476 874082971 /nfs/dbraw/zinc/08/29/71/874082971.db2.gz CXNITXXODQLAHN-UHFFFAOYSA-N 0 0 396.409 3.558 20 10 GHCDRN Nc1ccc(N(Cc2ccccc2)C(=O)c2cncn2Cc2ccncc2)cc1 ZINC001197891336 874092918 /nfs/dbraw/zinc/09/29/18/874092918.db2.gz BWUOPIKEVKKLAB-UHFFFAOYSA-N 0 0 383.455 3.756 20 10 GHCDRN CCN(Cc1ccccc1)c1ccc(CN2CCS(=O)(=O)C(C)(C)C2)cc1 ZINC000769505833 874112774 /nfs/dbraw/zinc/11/27/74/874112774.db2.gz 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FC(F)(F)c1cnc(CNC(=S)Nc2ccc3c(c2)OCO3)c(Cl)c1 ZINC001198303953 874337949 /nfs/dbraw/zinc/33/79/49/874337949.db2.gz SOMOZLFECJMOKY-UHFFFAOYSA-N 0 0 389.786 3.969 20 10 GHCDRN Oc1c(CNC(=S)Nc2ccc3c(c2)OCO3)cc(Cl)c2cccnc12 ZINC001198307960 874369925 /nfs/dbraw/zinc/36/99/25/874369925.db2.gz IHPCLPGCMUNQOY-UHFFFAOYSA-N 0 0 387.848 3.809 20 10 GHCDRN Cc1cc(C(=O)NCc2ccnc(N(C)C)n2)c(C)n1-c1ccc(Cl)cc1 ZINC000775846023 874381798 /nfs/dbraw/zinc/38/17/98/874381798.db2.gz NHEABJUWQPNFGK-UHFFFAOYSA-N 0 0 383.883 3.534 20 10 GHCDRN COc1ccc(N(Cc2ccccc2)C(=O)/C=C\c2cnc(OC)nc2)cc1 ZINC000775847410 874395592 /nfs/dbraw/zinc/39/55/92/874395592.db2.gz DGABOCNNCYGBEG-JYRVWZFOSA-N 0 0 375.428 3.740 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)c1cncn1-c1cc[nH+]cc1 ZINC001198561005 874480647 /nfs/dbraw/zinc/48/06/47/874480647.db2.gz JVYPILWUASBUDQ-FQEVSTJZSA-N 0 0 376.460 3.643 20 10 GHCDRN COC(=O)c1cc(NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)ccc1F ZINC001198576418 874491257 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Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2C)cc1 ZINC000770663832 874810041 /nfs/dbraw/zinc/81/00/41/874810041.db2.gz CUVYNHZAMYZFLT-UHFFFAOYSA-N 0 0 390.487 3.886 20 10 GHCDRN CCCN(CC)C(=O)c1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000104900894 874844542 /nfs/dbraw/zinc/84/45/42/874844542.db2.gz FHVKPBOGWWRDID-OAHLLOKOSA-N 0 0 384.476 3.764 20 10 GHCDRN CCCCN(C)c1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000115894935 882877454 /nfs/dbraw/zinc/87/74/54/882877454.db2.gz ZFBQCVTVDLDPCZ-UHFFFAOYSA-N 0 0 396.535 3.552 20 10 GHCDRN Cc1ncsc1/C=C/C(=O)N1CCN(C)c2cc(Br)ccc21 ZINC000804440219 882878070 /nfs/dbraw/zinc/87/80/70/882878070.db2.gz ANGXUQZUAIDRQM-AATRIKPKSA-N 0 0 378.295 3.710 20 10 GHCDRN COc1cccc(CNC(=O)Nc2ccc(-n3nc(C)cc3C)c(F)c2)c1O ZINC000105007976 874974114 /nfs/dbraw/zinc/97/41/14/874974114.db2.gz PVWRUXXESKLYGL-UHFFFAOYSA-N 0 0 384.411 3.664 20 10 GHCDRN CCc1cc(C)c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)o1 ZINC000771057386 875014420 /nfs/dbraw/zinc/01/44/20/875014420.db2.gz IQVLDQDINIABJH-INIZCTEOSA-N 0 0 376.884 3.904 20 10 GHCDRN CC(=O)N1CCc2cc(NCc3cc(C)cc(Br)c3O)ccc21 ZINC001199514177 875031145 /nfs/dbraw/zinc/03/11/45/875031145.db2.gz AOKVVFGBLCKAPH-UHFFFAOYSA-N 0 0 375.266 3.984 20 10 GHCDRN COC(=O)COc1ccc(C[N@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000775983205 875033022 /nfs/dbraw/zinc/03/30/22/875033022.db2.gz ISIKCOVZABZJBG-UHFFFAOYSA-N 0 0 384.259 3.883 20 10 GHCDRN Cc1cc(C(=O)NCc2cc(Cl)c3cccnc3c2O)nn1CC1CCC1 ZINC001199580976 875055600 /nfs/dbraw/zinc/05/56/00/875055600.db2.gz ANRSTGUPKYZWKB-UHFFFAOYSA-N 0 0 384.867 3.829 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000528825880 875106193 /nfs/dbraw/zinc/10/61/93/875106193.db2.gz MJOFRWRISQNUBZ-CQSZACIVSA-N 0 0 381.398 3.924 20 10 GHCDRN Cc1cc(C)cc(C(=O)NCC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000771232409 875110525 /nfs/dbraw/zinc/11/05/25/875110525.db2.gz AWQNGGUVRBJXGF-UHFFFAOYSA-N 0 0 381.520 3.536 20 10 GHCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCC2(CC2)C1 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C[C@H](NC(=O)NC1(Cc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000776119942 875368559 /nfs/dbraw/zinc/36/85/59/875368559.db2.gz QCTNCOFSCRXNRP-SFHVURJKSA-N 0 0 379.504 3.659 20 10 GHCDRN COc1ccc(NC(=S)NCc2ccc(Br)cc2O)c(OC)c1 ZINC001200985276 875446546 /nfs/dbraw/zinc/44/65/46/875446546.db2.gz BTHLZYZQMAARGR-UHFFFAOYSA-N 0 0 397.294 3.659 20 10 GHCDRN Cc1cc(C)c2c(N)c(C(=O)OCc3nnc(-c4ccccc4)n3C)sc2n1 ZINC000771885966 875514793 /nfs/dbraw/zinc/51/47/93/875514793.db2.gz CWRGXCNBMDDPOP-UHFFFAOYSA-N 0 0 393.472 3.648 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NCC3(Cc4ccccc4)CC3)CC2)cc1 ZINC000772038834 875626641 /nfs/dbraw/zinc/62/66/41/875626641.db2.gz HUGQCBFSYIHMSS-UHFFFAOYSA-N 0 0 393.531 3.986 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCN(C3CC3)C(=O)C2)cc1 ZINC000772160688 875757348 /nfs/dbraw/zinc/75/73/48/875757348.db2.gz UKDGFVMIHVERHB-UHFFFAOYSA-N 0 0 391.475 3.615 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC001201595317 875774471 /nfs/dbraw/zinc/77/44/71/875774471.db2.gz PMDLEHWBSAZAET-QGZVFWFLSA-N 0 0 380.257 3.897 20 10 GHCDRN CS[C@H](C(N)=O)c1cccc(C(=O)c2ccccc2)c1Nc1cncc(O)c1 ZINC001201641166 875810843 /nfs/dbraw/zinc/81/08/43/875810843.db2.gz LTWYDXRCVPORCT-FQEVSTJZSA-N 0 0 393.468 3.651 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+]CCCCNC(=O)OC(C)(C)C)c1 ZINC001201954809 875952585 /nfs/dbraw/zinc/95/25/85/875952585.db2.gz VFCDBRVUMIBHBH-UHFFFAOYSA-N 0 0 387.318 3.858 20 10 GHCDRN Cc1cc(C)n(-c2ccccc2CNC(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000151816812 875959622 /nfs/dbraw/zinc/95/96/22/875959622.db2.gz FGMWZCGOXMXFED-UHFFFAOYSA-N 0 0 377.492 3.555 20 10 GHCDRN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000776237424 875997033 /nfs/dbraw/zinc/99/70/33/875997033.db2.gz GZBFSXMSKMPEOP-YQVWRLOYSA-N 0 0 388.556 3.540 20 10 GHCDRN CCOC(=O)CCC1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000776238182 875997714 /nfs/dbraw/zinc/99/77/14/875997714.db2.gz LMISPZGYQCDOGZ-INIZCTEOSA-N 0 0 375.513 3.579 20 10 GHCDRN 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CCN(CC)c1ccc(CN(C)C(=O)N[C@H](COC)Cc2ccccc2)cc1 ZINC000746781584 878517525 /nfs/dbraw/zinc/51/75/25/878517525.db2.gz SHXMJCIRHABEPP-NRFANRHFSA-N 0 0 383.536 3.932 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)NCc2cc(F)ccc2OC(F)F)cc1 ZINC000852683712 878522062 /nfs/dbraw/zinc/52/20/62/878522062.db2.gz QJBDOYRXGAUHRL-UHFFFAOYSA-N 0 0 381.398 3.835 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)C(C)(C)c2ccccc2)cc1 ZINC000788976977 878523910 /nfs/dbraw/zinc/52/39/10/878523910.db2.gz DZQPWUATQZZQGZ-SFHVURJKSA-N 0 0 395.547 3.632 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCc2ccccc2-n2ccnc21 ZINC000852717649 878542975 /nfs/dbraw/zinc/54/29/75/878542975.db2.gz HNXVCMAKQWPTCR-HXUWFJFHSA-N 0 0 389.503 3.733 20 10 GHCDRN COc1ccc(CCCNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000068479356 878609770 /nfs/dbraw/zinc/60/97/70/878609770.db2.gz IEINBZULQSQCIJ-GOSISDBHSA-N 0 0 397.519 3.525 20 10 GHCDRN C[C@H](NC(=O)N1CCc2sccc2[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000068480490 878612505 /nfs/dbraw/zinc/61/25/05/878612505.db2.gz AGRZXCHCQQPYHI-JKSUJKDBSA-N 0 0 385.533 3.975 20 10 GHCDRN CC(C)Oc1ccc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000068480483 878612530 /nfs/dbraw/zinc/61/25/30/878612530.db2.gz SJBKCBGJDGKDQV-SFHVURJKSA-N 0 0 397.519 3.871 20 10 GHCDRN C[C@@H](NC(=O)N[C@@H](C)CCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000068480656 878612573 /nfs/dbraw/zinc/61/25/73/878612573.db2.gz AGXYGXRQJUUVGA-RBUKOAKNSA-N 0 0 381.520 3.905 20 10 GHCDRN CCC(=O)Nc1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000068483793 878615043 /nfs/dbraw/zinc/61/50/43/878615043.db2.gz AODKHBHHYBEHOJ-MRXNPFEDSA-N 0 0 396.491 3.754 20 10 GHCDRN COc1cccc(CNC(=O)c2sc(Cc3ccc(F)cc3)nc2C)c1O ZINC000068489137 878631828 /nfs/dbraw/zinc/63/18/28/878631828.db2.gz BXQOZJPOSJHEEH-UHFFFAOYSA-N 0 0 386.448 3.826 20 10 GHCDRN CCN(CC(=O)Nc1c(C)cccc1C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093660435 912379118 /nfs/dbraw/zinc/37/91/18/912379118.db2.gz IHRSHLOGOLJVMI-UHFFFAOYSA-N 0 0 399.510 3.740 20 10 GHCDRN Cc1cc(CC(=O)O[C@@H]2CCOC3(CCOCC3)C2)c(C)n1-c1ccccc1 ZINC000853116112 878823292 /nfs/dbraw/zinc/82/32/92/878823292.db2.gz GVGDSJKDQZUMEZ-OAQYLSRUSA-N 0 0 383.488 3.908 20 10 GHCDRN O=c1[nH]ccc2cc(NNC(=S)Nc3cccc(OC(F)(F)F)c3)ccc21 ZINC000789319030 878850623 /nfs/dbraw/zinc/85/06/23/878850623.db2.gz HDIBIXXXSFPCPS-UHFFFAOYSA-N 0 0 394.378 3.740 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2CCCOC2)c(C)n1-c1cccc(Br)c1 ZINC000111136786 878863156 /nfs/dbraw/zinc/86/31/56/878863156.db2.gz ARCJBRNXGQGJHJ-OAHLLOKOSA-N 0 0 377.282 3.765 20 10 GHCDRN CCCc1csc(NC(=O)C(=O)N(C)Cc2ccc(N(CC)CC)cc2)n1 ZINC000789370694 878910410 /nfs/dbraw/zinc/91/04/10/878910410.db2.gz SCUULMWORKCOHA-UHFFFAOYSA-N 0 0 388.537 3.539 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000853253710 878936098 /nfs/dbraw/zinc/93/60/98/878936098.db2.gz REKBLZSSTUTHEO-VAMGGRTRSA-N 0 0 385.552 3.806 20 10 GHCDRN CN1CCCc2cc(CNC(=O)N(Cc3ccccc3)CC(C)(C)O)ccc21 ZINC000180499685 878971489 /nfs/dbraw/zinc/97/14/89/878971489.db2.gz PZIRYCWCWMTWFB-UHFFFAOYSA-N 0 0 381.520 3.552 20 10 GHCDRN C[C@@H]1CN(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)cc2F)C[C@@H](C)O1 ZINC000180668355 879170271 /nfs/dbraw/zinc/17/02/71/879170271.db2.gz FXUFJMUTEJHLPB-CCRJBVLDSA-N 0 0 386.423 3.502 20 10 GHCDRN CCc1nc([C@@H](C)NC(=O)NCc2ccc(N3CCSCC3)cc2)cs1 ZINC000111471983 879190874 /nfs/dbraw/zinc/19/08/74/879190874.db2.gz ALNQUILSEOEVCE-CQSZACIVSA-N 0 0 390.578 3.819 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000180687317 879197311 /nfs/dbraw/zinc/19/73/11/879197311.db2.gz FDAXKNRODUGKDE-VZUCSPMQSA-N 0 0 375.428 3.950 20 10 GHCDRN CC[C@@](C)(NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000853703155 879231083 /nfs/dbraw/zinc/23/10/83/879231083.db2.gz RVUMHSWNQSAXCA-HSZRJFAPSA-N 0 0 381.520 3.772 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N(C)[C@H](CO)Cc3ccccc3)cc2)CC1 ZINC000853704698 879232065 /nfs/dbraw/zinc/23/20/65/879232065.db2.gz WGRUADQKKFUUOY-QHCPKHFHSA-N 0 0 395.547 3.668 20 10 GHCDRN COCCn1c(C)c(C)c2cc(-c3nc(-c4ccc(C(N)=O)cc4)no3)ccc21 ZINC000761532122 879242448 /nfs/dbraw/zinc/24/24/48/879242448.db2.gz AOMSBVMHLWVINY-UHFFFAOYSA-N 0 0 390.443 3.720 20 10 GHCDRN COc1ccccc1-c1cc(CNC(=O)NCc2ccc(N(C)C)cc2C)on1 ZINC000853748597 879260826 /nfs/dbraw/zinc/26/08/26/879260826.db2.gz HPPYXXBDOSDGCF-UHFFFAOYSA-N 0 0 394.475 3.724 20 10 GHCDRN COc1ccc(N2CC[C@H](Nc3nn4cc(-c5cccnc5)nc4s3)C2)cc1 ZINC000853758901 879264261 /nfs/dbraw/zinc/26/42/61/879264261.db2.gz MKJJXCYLTBRGSB-HNNXBMFYSA-N 0 0 392.488 3.552 20 10 GHCDRN COc1ccc(N2CC[C@@H](Nc3ccc(-c4nc(C)c(C)c(=O)[nH]4)cn3)C2)cc1 ZINC000853758338 879264854 /nfs/dbraw/zinc/26/48/54/879264854.db2.gz CKRMBRGPWBLDSP-QGZVFWFLSA-N 0 0 391.475 3.560 20 10 GHCDRN C/C=C(/CC)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000789792968 879280117 /nfs/dbraw/zinc/28/01/17/879280117.db2.gz BCSDITWCNBXDQT-ODZYNRFZSA-N 0 0 375.513 3.791 20 10 GHCDRN CCOc1ccc(CNc2ccc(C(=O)N3CCOCC3)c(Cl)c2)c(O)c1 ZINC000789878784 879310658 /nfs/dbraw/zinc/31/06/58/879310658.db2.gz OICAUQJWCNQFOB-UHFFFAOYSA-N 0 0 390.867 3.529 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)c2ccc(O[C@H]3CCOC3)cc2)C2CC2)cc1 ZINC000789892863 879340563 /nfs/dbraw/zinc/34/05/63/879340563.db2.gz VAFLIYLIQVFKNC-QFIPXVFZSA-N 0 0 380.488 3.725 20 10 GHCDRN CC(C)[C@H]1C[C@@]([NH2+]Cc2ccc(N3CCOCC3)cc2)(C(=O)[O-])c2ccccc21 ZINC000789903649 879348692 /nfs/dbraw/zinc/34/86/92/879348692.db2.gz JWFWWHCEYMOTIZ-QPPBQGQZSA-N 0 0 394.515 3.736 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CCCc2sccc21 ZINC000853997298 879428520 /nfs/dbraw/zinc/42/85/20/879428520.db2.gz JBFUGGGBLYNTJH-LJQANCHMSA-N 0 0 385.533 3.586 20 10 GHCDRN Cc1cc(C(=O)N2CCc3nc(N)ncc3C2)c(C)n1-c1cccc(C(C)C)c1 ZINC000790059377 879436161 /nfs/dbraw/zinc/43/61/61/879436161.db2.gz PWJWQKSXKHIDBY-UHFFFAOYSA-N 0 0 389.503 3.788 20 10 GHCDRN O=C(NCCCSc1nccs1)NCc1nnc(-c2ccccc2)s1 ZINC000152596833 879436643 /nfs/dbraw/zinc/43/66/43/879436643.db2.gz JCECWOQRBWIHJF-UHFFFAOYSA-N 0 0 391.547 3.643 20 10 GHCDRN COC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccsc3)C2=O)cc1 ZINC000790107007 879444226 /nfs/dbraw/zinc/44/42/26/879444226.db2.gz AEXLLOAXULREEV-ZSOIEALJSA-N 0 0 391.495 3.706 20 10 GHCDRN O=C1/C(=C/c2ccc(N3CCOCC3)cc2)SC(=S)N1c1ccsc1 ZINC000790109513 879446029 /nfs/dbraw/zinc/44/60/29/879446029.db2.gz BDBSSUJCPKEIPH-WJDWOHSUSA-N 0 0 388.539 3.991 20 10 GHCDRN Cc1nnc(COCC(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)s1 ZINC000285825903 912459666 /nfs/dbraw/zinc/45/96/66/912459666.db2.gz NZXSRPZIQMWLDL-OAHLLOKOSA-N 0 0 397.500 3.859 20 10 GHCDRN Cc1nnc(COCC(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)s1 ZINC000285825898 912459832 /nfs/dbraw/zinc/45/98/32/912459832.db2.gz NZXSRPZIQMWLDL-HNNXBMFYSA-N 0 0 397.500 3.859 20 10 GHCDRN C[C@@H](NC(=O)c1coc(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1 ZINC000152743579 879628586 /nfs/dbraw/zinc/62/85/86/879628586.db2.gz BNCGJFNPKNIXMV-MRXNPFEDSA-N 0 0 377.444 3.669 20 10 GHCDRN COc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1F ZINC000854229464 879647441 /nfs/dbraw/zinc/64/74/41/879647441.db2.gz OIHCHKIDWWSZSI-VZSAFFHGSA-N 0 0 380.410 3.614 20 10 GHCDRN CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000854302025 879705831 /nfs/dbraw/zinc/70/58/31/879705831.db2.gz WPIHXHTVRAWOCW-QGZVFWFLSA-N 0 0 398.463 3.664 20 10 GHCDRN CCc1c(C(=O)NCc2ccc(N3CCOCC3)cc2)cnn1C(CC)CC ZINC000790490656 879761581 /nfs/dbraw/zinc/76/15/81/879761581.db2.gz RPXITGCUSPBNMP-UHFFFAOYSA-N 0 0 384.524 3.573 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)c1c(C)nn(C2CCOCC2)c1C ZINC000854373108 879766291 /nfs/dbraw/zinc/76/62/91/879766291.db2.gz BDRLACZZPDONHZ-UHFFFAOYSA-N 0 0 385.508 4.000 20 10 GHCDRN CCCOc1nc(C)ccc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000790514425 879785937 /nfs/dbraw/zinc/78/59/37/879785937.db2.gz UPXMCTRKBJROIJ-KRWDZBQOSA-N 0 0 383.492 3.506 20 10 GHCDRN COc1cccc(C(=O)NCc2cc(Br)ccc2O)c1OC(C)C ZINC000854441988 879814653 /nfs/dbraw/zinc/81/46/53/879814653.db2.gz CGGZYEQRBHTCMX-UHFFFAOYSA-N 0 0 394.265 3.881 20 10 GHCDRN Cc1ncc(/C=C/C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)s1 ZINC000112280561 879859866 /nfs/dbraw/zinc/85/98/66/879859866.db2.gz GORPPHIQWMGSAJ-VYENPZKTSA-N 0 0 385.533 3.739 20 10 GHCDRN O=C(Nc1cccc(N2CCOCC2)c1)c1cccc(Oc2ccncc2)c1 ZINC000112630741 880053175 /nfs/dbraw/zinc/05/31/75/880053175.db2.gz YKGKTPOLPYALOP-UHFFFAOYSA-N 0 0 375.428 3.963 20 10 GHCDRN CCN(C)c1ccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cn1 ZINC000790965280 880106898 /nfs/dbraw/zinc/10/68/98/880106898.db2.gz BMXNDLIFEPPXAI-LJQANCHMSA-N 0 0 388.943 3.651 20 10 GHCDRN C[C@@H]1CCCC[C@@H]1OCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000112817679 880166226 /nfs/dbraw/zinc/16/62/26/880166226.db2.gz YSWFOMARHWTKLF-BEFAXECRSA-N 0 0 396.478 3.968 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@H](N3CCCC3=O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000791081188 880194618 /nfs/dbraw/zinc/19/46/18/880194618.db2.gz KMPDDRZWNNXMSN-SFHVURJKSA-N 0 0 385.895 3.584 20 10 GHCDRN COc1cccc2c([C@@H](C(=O)NCc3ccccc3O)C(F)(F)F)c[nH]c21 ZINC001183466177 912554681 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/nfs/dbraw/zinc/13/73/77/913137377.db2.gz SJQJJKUKWKIHCB-INIZCTEOSA-N 0 0 386.887 3.781 20 10 GHCDRN CCCSc1nsc(NC(=O)NCCCSc2nccs2)n1 ZINC000762954774 887364510 /nfs/dbraw/zinc/36/45/10/887364510.db2.gz WPCSPGOBLNLRRX-UHFFFAOYSA-N 0 0 375.570 3.801 20 10 GHCDRN CCc1n[nH]c(=O)c(CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)c1CC ZINC000762984749 887494357 /nfs/dbraw/zinc/49/43/57/887494357.db2.gz NWNNKWTZOPQJSZ-UHFFFAOYSA-N 0 0 392.503 3.953 20 10 GHCDRN CCCN(CCC)c1ccc(CNc2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000864041678 887528695 /nfs/dbraw/zinc/52/86/95/887528695.db2.gz XQAXPSZSDVZXOX-UHFFFAOYSA-N 0 0 375.538 3.833 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3cc(-c4csc(C)n4)c[nH]3)CC2)cc1 ZINC000131624771 887562675 /nfs/dbraw/zinc/56/26/75/887562675.db2.gz VRSDVKLAXUYCKV-UHFFFAOYSA-N 0 0 396.516 3.808 20 10 GHCDRN CCOC(=O)c1cc2cc(S(=O)(=O)Nc3ccc(O)cc3C)ccc2s1 ZINC000794590469 887602028 /nfs/dbraw/zinc/60/20/28/887602028.db2.gz RGYCBSQBMHTBHI-UHFFFAOYSA-N 0 0 391.470 3.893 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccc(OC(C)(C)C)cc3)CC2)c(OC)c1 ZINC001131805219 887651953 /nfs/dbraw/zinc/65/19/53/887651953.db2.gz ZHXFFADQFAOLPP-UHFFFAOYSA-N 0 0 398.503 3.844 20 10 GHCDRN COCCN(Cc1ccnn1C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809655304 887663204 /nfs/dbraw/zinc/66/32/04/887663204.db2.gz ARDADCLFXKFVGM-UHFFFAOYSA-N 0 0 390.531 3.631 20 10 GHCDRN CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NCc1cc(F)ccc1O ZINC000809680244 887699331 /nfs/dbraw/zinc/69/93/31/887699331.db2.gz RAIOHIIEKNSVNC-UHFFFAOYSA-N 0 0 396.484 3.573 20 10 GHCDRN Cc1c(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c(=O)n(-c2ccccc2)n1C ZINC000809775725 887765341 /nfs/dbraw/zinc/76/53/41/887765341.db2.gz IRFZOGYFKQBEAO-UHFFFAOYSA-N 0 0 392.286 3.787 20 10 GHCDRN COc1cccc(CNCc2nc(N(C)C)n(-c3ccccc3)c2Cl)c1O ZINC000809740170 887774694 /nfs/dbraw/zinc/77/46/94/887774694.db2.gz NMPPLWUYNAOPHF-UHFFFAOYSA-N 0 0 386.883 3.596 20 10 GHCDRN CN(C)Cc1cnc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)s1 ZINC000794694886 887864930 /nfs/dbraw/zinc/86/49/30/887864930.db2.gz 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C[C@H](NC(=O)N1CC[C@H](c2ccccc2)C1)c1ccc(N2CCOCC2)cc1 ZINC000120392136 888193522 /nfs/dbraw/zinc/19/35/22/888193522.db2.gz VVIGJEIKXNRBDZ-RXVVDRJESA-N 0 0 379.504 3.783 20 10 GHCDRN COCc1sccc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000865115880 888203051 /nfs/dbraw/zinc/20/30/51/888203051.db2.gz CKLUHRIFQHOOKP-UHFFFAOYSA-N 0 0 396.459 3.895 20 10 GHCDRN Cc1ccnc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)c1Br ZINC000865432139 888347447 /nfs/dbraw/zinc/34/74/47/888347447.db2.gz QKPOPUYSDNETCR-OAHLLOKOSA-N 0 0 390.325 3.840 20 10 GHCDRN CCOCc1nc([C@@H](C)N[C@@H](C)c2cc(Br)cc(F)c2[O-])no1 ZINC000810255548 888358255 /nfs/dbraw/zinc/35/82/55/888358255.db2.gz MADRZTGSFMYFIN-DTWKUNHWSA-N 0 0 388.237 3.625 20 10 GHCDRN CCn1cnc2c1nc(Cl)nc2N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000865469240 888370044 /nfs/dbraw/zinc/37/00/44/888370044.db2.gz LSNILEAWYBLDLZ-ZDUSSCGKSA-N 0 0 386.887 3.509 20 10 GHCDRN COc1cc(F)c(F)cc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000810272519 888370623 /nfs/dbraw/zinc/37/06/23/888370623.db2.gz 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393.409 3.787 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)Cc1c(C)nn(COCC)c1C ZINC000866602015 888961499 /nfs/dbraw/zinc/96/14/99/888961499.db2.gz YGBCIUQQSYXDAD-INIZCTEOSA-N 0 0 387.524 3.817 20 10 GHCDRN O=C(NCCNc1nc2ccccc2s1)NCc1ccc(N2CCCC2)cc1 ZINC000916587455 889148116 /nfs/dbraw/zinc/14/81/16/889148116.db2.gz IDUVJJRDMAYKEJ-UHFFFAOYSA-N 0 0 395.532 3.808 20 10 GHCDRN COc1ccc(N(C)CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)cc1F ZINC000121842231 889179857 /nfs/dbraw/zinc/17/98/57/889179857.db2.gz FGMWLCYWITWPLA-KRWDZBQOSA-N 0 0 397.406 3.834 20 10 GHCDRN COC1CCC(CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)CC1 ZINC000121900973 889206692 /nfs/dbraw/zinc/20/66/92/889206692.db2.gz IYICCAHIHHSIOR-UDJZJCJKSA-N 0 0 388.552 3.856 20 10 GHCDRN COc1ccc(N(C)CCCOc2ccc(S(C)(=O)=O)cc2)cc1Cl ZINC000121911813 889210377 /nfs/dbraw/zinc/21/03/77/889210377.db2.gz FMMGRSONSNADIL-UHFFFAOYSA-N 0 0 383.897 3.657 20 10 GHCDRN CC(=O)Nc1cccc2c1CN(C(=O)NCc1ccc(N3CCCC3)cc1)CC2 ZINC000868111754 889298888 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GHCDRN C[C@H](NC(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1)c1ccc(N(C)C)cc1 ZINC000779101593 904200598 /nfs/dbraw/zinc/20/05/98/904200598.db2.gz PSQJSQMCRZABOS-UGSOOPFHSA-N 0 0 380.410 3.552 20 10 GHCDRN COCCOc1ccc(Cl)cc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773002080 904355445 /nfs/dbraw/zinc/35/54/45/904355445.db2.gz XIBHHJQSHUPTET-AWEZNQCLSA-N 0 0 376.884 3.922 20 10 GHCDRN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773002308 904358985 /nfs/dbraw/zinc/35/89/85/904358985.db2.gz YNXQINBISSNYIN-HNNXBMFYSA-N 0 0 390.487 3.615 20 10 GHCDRN C[C@H](NC(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000773010530 904365379 /nfs/dbraw/zinc/36/53/79/904365379.db2.gz BEPSPAXJAUVNET-JCGIZDLHSA-N 0 0 375.513 3.623 20 10 GHCDRN Cc1ccc(Br)c(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773083591 904416660 /nfs/dbraw/zinc/41/66/60/904416660.db2.gz GNUSRHXYYHIMRG-ZDUSSCGKSA-N 0 0 397.338 3.863 20 10 GHCDRN CC(C)c1nnc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)[nH]1 ZINC000773136100 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CCN(CC)c1ccc(CNC(=O)Nc2ccnn2-c2cc(C)ccn2)cc1 ZINC000189810682 905316861 /nfs/dbraw/zinc/31/68/61/905316861.db2.gz RDCVZQUSJBSUOO-UHFFFAOYSA-N 0 0 378.480 3.744 20 10 GHCDRN Cc1c(F)cccc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000175033935 905427461 /nfs/dbraw/zinc/42/74/61/905427461.db2.gz IYZCYRVKWCRXOO-UHFFFAOYSA-N 0 0 375.419 3.556 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(F)c1Cl ZINC000175543226 905593093 /nfs/dbraw/zinc/59/30/93/905593093.db2.gz RYTNYCURICLGBA-UHFFFAOYSA-N 0 0 380.822 3.509 20 10 GHCDRN Cc1cc(C(=O)N2CCC(O)(C(F)F)CC2)c(C)n1-c1cccc(Cl)c1 ZINC000779306478 906080300 /nfs/dbraw/zinc/08/03/00/906080300.db2.gz NJCZUYMUKAAFQI-UHFFFAOYSA-N 0 0 382.838 3.980 20 10 GHCDRN Cc1cc(C)n(-c2ccccc2NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)n1 ZINC000190931860 906452949 /nfs/dbraw/zinc/45/29/49/906452949.db2.gz OUTPFICSIHQVQH-CYBMUJFWSA-N 0 0 380.448 3.653 20 10 GHCDRN C[C@@H](O)[C@@](C)(CNC(=O)NCc1ccc(N2CCCC2)cc1)Cc1ccccc1 ZINC000191117878 906644016 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C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773424977 907283405 /nfs/dbraw/zinc/28/34/05/907283405.db2.gz XAZKFAYJQUEMFE-SJORKVTESA-N 0 0 383.492 3.635 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000779486189 907303042 /nfs/dbraw/zinc/30/30/42/907303042.db2.gz WCHUMMLOQAAUOG-WTDSWWLTSA-N 0 0 393.399 3.589 20 10 GHCDRN C[C@@H](NC(=O)NC[C@H]1COC2(CCCCCC2)O1)c1ccc(N(C)C)cc1 ZINC000773436049 907320017 /nfs/dbraw/zinc/32/00/17/907320017.db2.gz QGPPRHXUZAMYLJ-APWZRJJASA-N 0 0 375.513 3.579 20 10 GHCDRN COc1cccc(F)c1Nc1c(CC(N)=O)cccc1C(=O)c1ccccc1 ZINC001174993626 907320616 /nfs/dbraw/zinc/32/06/16/907320616.db2.gz DPMFBSNPDCZIBV-UHFFFAOYSA-N 0 0 378.403 3.837 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(-c2cn3c(n2)CCCC3)c1 ZINC000779502119 907350346 /nfs/dbraw/zinc/35/03/46/907350346.db2.gz YZQRIEBYTJMSKB-CSKARUKUSA-N 0 0 375.428 3.950 20 10 GHCDRN COc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1OCC(F)(F)F ZINC000779502449 907350979 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C[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccc(Br)s1 ZINC000183461609 907392852 /nfs/dbraw/zinc/39/28/52/907392852.db2.gz HKQHFJBSIDKJKQ-UWVGGRQHSA-N 0 0 384.295 3.773 20 10 GHCDRN Cn1cc2cccc(Nc3c(CC(N)=O)cccc3C(=O)c3ccccc3)c2n1 ZINC001175458875 907584268 /nfs/dbraw/zinc/58/42/68/907584268.db2.gz CVFCOPLWECAPFU-UHFFFAOYSA-N 0 0 384.439 3.576 20 10 GHCDRN CC(=O)c1cc(F)cc(CN2CCC[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c1O ZINC001175562004 907638187 /nfs/dbraw/zinc/63/81/87/907638187.db2.gz ZNQIAPQOUDBKQD-MSOLQXFVSA-N 0 0 392.471 3.708 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000192425251 907645635 /nfs/dbraw/zinc/64/56/35/907645635.db2.gz XNIYUWNDYOBJHW-UHFFFAOYSA-N 0 0 394.397 3.601 20 10 GHCDRN C[C@H]([NH2+]C1CCOCC1)c1cc(Br)cc(Br)c1[O-] ZINC000185078713 907708974 /nfs/dbraw/zinc/70/89/74/907708974.db2.gz NYPUGDXTDLWCGV-QMMMGPOBSA-N 0 0 379.092 3.747 20 10 GHCDRN COc1cccc(-c2noc([C@H](C)NCc3cc(F)cc(C(C)=O)c3O)n2)c1 ZINC000185125636 907717303 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COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(Cc2ccccc2)CC(F)(F)F)c1 ZINC000775372724 917251838 /nfs/dbraw/zinc/25/18/38/917251838.db2.gz HGJGUSIAKPIFAQ-AWEZNQCLSA-N 0 0 396.409 3.643 20 10 GHCDRN CCN(CC)c1ccc(CNc2cccc(S(=O)(=O)NC)c2C)cc1F ZINC000796444875 917350902 /nfs/dbraw/zinc/35/09/02/917350902.db2.gz PJFMYQATXZTKQC-UHFFFAOYSA-N 0 0 379.501 3.501 20 10 GHCDRN C[C@H]1CCC[C@@H](N(C)CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001190590334 917433793 /nfs/dbraw/zinc/43/37/93/917433793.db2.gz YNMUWQWTHTYTOT-DOTOQJQBSA-N 0 0 390.483 3.911 20 10 GHCDRN O=C(c1c(F)ccc(O)c1O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000295721935 917444404 /nfs/dbraw/zinc/44/44/04/917444404.db2.gz XMOBKBMMBZVLNA-UHFFFAOYSA-N 0 0 390.358 3.732 20 10 GHCDRN C[C@H](NC(=O)c1ccc(-n2cnc3ccccc32)nc1)c1ccc(N(C)C)cc1 ZINC000775402369 917479952 /nfs/dbraw/zinc/47/99/52/917479952.db2.gz DOUHUYPOAYQDOG-INIZCTEOSA-N 0 0 385.471 3.978 20 10 GHCDRN C[C@@H](NC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1ccc(N(C)C)cc1 ZINC000775412039 917559235 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C[C@@H]1OCC[C@H]1N(CCO)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000796580165 918339057 /nfs/dbraw/zinc/33/90/57/918339057.db2.gz PVXYQDKLRDZNTB-OXJNMPFZSA-N 0 0 382.464 3.512 20 10 GHCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)c1cccc(-c2cccnc2)n1 ZINC001192194124 918487595 /nfs/dbraw/zinc/48/75/95/918487595.db2.gz JTLGNZIBAIAGPF-UHFFFAOYSA-N 0 0 390.830 3.981 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1nc(C(C)(C)C(=O)OC)cs1 ZINC000296708643 918606568 /nfs/dbraw/zinc/60/65/68/918606568.db2.gz JMSDSQYHHJAQFQ-UHFFFAOYSA-N 0 0 391.493 3.743 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000296761839 918699177 /nfs/dbraw/zinc/69/91/77/918699177.db2.gz DGJYAFYUSYXRFG-HXUWFJFHSA-N 0 0 395.503 3.691 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H](c1nccs1)C(F)(F)F ZINC000296987796 918963731 /nfs/dbraw/zinc/96/37/31/918963731.db2.gz OIMRSHRUWWWALA-CQSZACIVSA-N 0 0 382.411 3.622 20 10 GHCDRN Cc1ccc(NC(=O)CS[C@H](C)C(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000115281224 919446317 /nfs/dbraw/zinc/44/63/17/919446317.db2.gz OWQUKGIJQDEHPL-QGZVFWFLSA-N 0 0 399.560 3.746 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NOCCC(F)(F)F ZINC000119830419 919657456 /nfs/dbraw/zinc/65/74/56/919657456.db2.gz ZBXYEOMYAICNOQ-UHFFFAOYSA-N 0 0 385.180 3.570 20 10 GHCDRN C[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000297750377 919725916 /nfs/dbraw/zinc/72/59/16/919725916.db2.gz UZPKWISEQAHUHX-HNAYVOBHSA-N 0 0 399.447 3.752 20 10 GHCDRN C[C@H](NC(=O)C(C)(C)C)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000800343359 919933285 /nfs/dbraw/zinc/93/32/85/919933285.db2.gz NRQBQXDMNJFBET-CABCVRRESA-N 0 0 393.959 3.743 20 10 GHCDRN Cc1ncsc1CCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000298183615 920285956 /nfs/dbraw/zinc/28/59/56/920285956.db2.gz SVANPXWWECQMDA-CQSZACIVSA-N 0 0 395.475 3.771 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000800576369 920288542 /nfs/dbraw/zinc/28/85/42/920288542.db2.gz JAVRUHMLJNECFR-BRLPQQTGSA-N 0 0 390.233 3.514 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N(C)CC3(O)CCC3)cc2Cl)C1 ZINC000800719389 920391305 /nfs/dbraw/zinc/39/13/05/920391305.db2.gz KHRHQKLWVQAHCV-OAHLLOKOSA-N 0 0 379.932 3.633 20 10 GHCDRN Cc1nn(C)c(C)c1CCC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000298339898 920420483 /nfs/dbraw/zinc/42/04/83/920420483.db2.gz HGRRBCAAJIRSJU-UHFFFAOYSA-N 0 0 394.519 3.858 20 10 GHCDRN C[C@@H](NC(=O)CCc1ncc(C(C)(C)C)o1)c1ccc(N2CCOCC2)cc1 ZINC000800865303 920543769 /nfs/dbraw/zinc/54/37/69/920543769.db2.gz ISSJMLPGRFZHDJ-MRXNPFEDSA-N 0 0 385.508 3.619 20 10 GHCDRN Cc1cc(C)nc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 ZINC000800885521 920564831 /nfs/dbraw/zinc/56/48/31/920564831.db2.gz GULACJASQWMGCS-UHFFFAOYSA-N 0 0 375.419 3.699 20 10 GHCDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000800998412 920679260 /nfs/dbraw/zinc/67/92/60/920679260.db2.gz CDMGTTQBBZWLQU-UHFFFAOYSA-N 0 0 382.464 3.579 20 10 GHCDRN COC(=O)Nc1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000298665787 920780605 /nfs/dbraw/zinc/78/06/05/920780605.db2.gz FJVGCYLWPSUEJZ-SFHVURJKSA-N 0 0 399.447 3.784 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(C(C)=O)c2ccccc21 ZINC000366963280 921844277 /nfs/dbraw/zinc/84/42/77/921844277.db2.gz TWMBYSFIXICOOZ-IBGZPJMESA-N 0 0 381.476 3.812 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)NCCc1nn(C)c2ccccc12 ZINC000802298070 921995366 /nfs/dbraw/zinc/99/53/66/921995366.db2.gz DGQPPXOPTXOTTG-UHFFFAOYSA-N 0 0 380.492 3.833 20 10 GHCDRN C[C@H](NC(=O)N1CCC[C@](CO)(c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000802298621 921996698 /nfs/dbraw/zinc/99/66/98/921996698.db2.gz UYZSMKUVNIKOIE-MBSDFSHPSA-N 0 0 381.520 3.549 20 10 GHCDRN Cc1ccc(C2=NO[C@H](CNC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)cc1C ZINC000802377667 922059491 /nfs/dbraw/zinc/05/94/91/922059491.db2.gz NETGMOMMBSUDJT-NRFANRHFSA-N 0 0 394.519 3.704 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)N[C@H]2CCc3ccccc3OC2)C2CC2)cc1 ZINC000802405955 922074664 /nfs/dbraw/zinc/07/46/64/922074664.db2.gz KWIHEQIBHACXCT-IBGZPJMESA-N 0 0 379.504 3.820 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cncc2ccccc21 ZINC000802608466 922253082 /nfs/dbraw/zinc/25/30/82/922253082.db2.gz GBCWFLJNAUTZHG-UHFFFAOYSA-N 0 0 377.444 3.708 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(-n2cccc2)c1 ZINC000802610843 922256851 /nfs/dbraw/zinc/25/68/51/922256851.db2.gz UXXWLWYVVSORTH-UHFFFAOYSA-N 0 0 391.471 3.950 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@](CO)(c3ccccc3)C2)c1 ZINC000802656476 922313669 /nfs/dbraw/zinc/31/36/69/922313669.db2.gz OXMGVQGUCWHLGI-FQEVSTJZSA-N 0 0 390.321 3.989 20 10 GHCDRN CCC[C@@]1(C2CC2)NC(=O)N(CN(C)Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000802724298 922359821 /nfs/dbraw/zinc/35/98/21/922359821.db2.gz PLFXTTOYYLZMGG-QHCPKHFHSA-N 0 0 398.551 3.567 20 10 GHCDRN Cc1nc([C@H]2CCCOC2)sc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000368318130 922593471 /nfs/dbraw/zinc/59/34/71/922593471.db2.gz PZPWLPPCRXZUMD-KRWDZBQOSA-N 0 0 385.533 3.876 20 10 GHCDRN CC[C@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000903399189 922989747 /nfs/dbraw/zinc/98/97/47/922989747.db2.gz VVSRFIBMQQXILW-GWCFXTLKSA-N 0 0 383.279 3.514 20 10 GHCDRN CC[C@@H]([NH2+]Cc1cccc(NS(=O)(=O)C2CC2)c1)c1ccc(F)cc1[O-] ZINC000903425627 923015808 /nfs/dbraw/zinc/01/58/08/923015808.db2.gz LDAKSOJJAVEFMO-GOSISDBHSA-N 0 0 378.469 3.676 20 10 GHCDRN CC[C@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cccc(Cl)c1[O-] ZINC000903435563 923026706 /nfs/dbraw/zinc/02/67/06/923026706.db2.gz SADIYVPLRUGYSG-GWCFXTLKSA-N 0 0 383.279 3.514 20 10 GHCDRN COc1ccc(/C=C2/SC(=S)N([C@@H]3CCc4ccccc4C3)C2=O)cn1 ZINC000780143542 923472812 /nfs/dbraw/zinc/47/28/12/923472812.db2.gz OJZILHYYEMBRJM-FCNRDGCESA-N 0 0 382.510 3.849 20 10 GHCDRN CCOC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc(N(CC)CC)cc2)c1C ZINC000009932468 923623992 /nfs/dbraw/zinc/62/39/92/923623992.db2.gz OEWZPUFOXSXNJJ-UHFFFAOYSA-N 0 0 385.508 3.927 20 10 GHCDRN Cc1cc(C(=O)N2CCC(O[C@@H]3CCOC3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000748514445 923691056 /nfs/dbraw/zinc/69/10/56/923691056.db2.gz TUJHIWRJTITNBS-HXUWFJFHSA-N 0 0 386.467 3.643 20 10 GHCDRN COc1ccc([C@@H](NC(=O)CN2CCCc3cc(OC)ccc32)C(C)C)cc1 ZINC000010057078 923783365 /nfs/dbraw/zinc/78/33/65/923783365.db2.gz LJKVRCRZPKNAIG-QHCPKHFHSA-N 0 0 382.504 3.970 20 10 GHCDRN CN1CCCc2cc(CNC(=O)c3ccc(-c4n[nH]c(C5CC5)n4)cc3)ccc21 ZINC000748846667 923859112 /nfs/dbraw/zinc/85/91/12/923859112.db2.gz OKOUISNYIUSELB-UHFFFAOYSA-N 0 0 387.487 3.662 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000010961814 924494351 /nfs/dbraw/zinc/49/43/51/924494351.db2.gz BEVDMZOGMZIDEP-UHFFFAOYSA-N 0 0 395.528 3.993 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)NC[C@H]3C[C@@H]3c3ccccc3)C2)cc1 ZINC000826992702 924498162 /nfs/dbraw/zinc/49/81/62/924498162.db2.gz DEJKUSGUOOFICL-SFGWALBWSA-N 0 0 379.504 3.624 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)/C=C\C1(C)CCOCC1 ZINC000827084884 924723438 /nfs/dbraw/zinc/72/34/38/924723438.db2.gz FGZFJDCORJCFEW-SREVYHEPSA-N 0 0 382.298 3.876 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000371849107 924906970 /nfs/dbraw/zinc/90/69/70/924906970.db2.gz DDSTVOHVZBRBLF-NRFANRHFSA-N 0 0 397.523 3.716 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1[nH]ncc1C(F)(F)F ZINC001137349060 924908705 /nfs/dbraw/zinc/90/87/05/924908705.db2.gz CVGBFSCQSZIVNG-UHFFFAOYSA-N 0 0 392.175 3.559 20 10 GHCDRN C[C@H](c1ccccc1)n1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)n1 ZINC000679882969 925296245 /nfs/dbraw/zinc/29/62/45/925296245.db2.gz YKBHBGDWCJNJRC-MRXNPFEDSA-N 0 0 391.475 3.989 20 10 GHCDRN COc1cccc2c1ccnc2NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000827434335 925490091 /nfs/dbraw/zinc/49/00/91/925490091.db2.gz FJAGWQCDQKICPA-QGZVFWFLSA-N 0 0 390.487 3.557 20 10 GHCDRN Cc1cc([C@@H]2CCCN2CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)on1 ZINC000827430427 925498844 /nfs/dbraw/zinc/49/88/44/925498844.db2.gz LUOLQZRSXAFSHU-SFHVURJKSA-N 0 0 382.439 3.944 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H](C)[C@H](O)c1cccc(F)c1 ZINC001137417698 925528783 /nfs/dbraw/zinc/52/87/83/925528783.db2.gz XXVXGZMRBDTLJK-NYHFZMIOSA-N 0 0 394.446 3.898 20 10 GHCDRN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)C1=CC(=O)CS1 ZINC001137426958 925654268 /nfs/dbraw/zinc/65/42/68/925654268.db2.gz KEVDDPHAZNKDEO-ZDUSSCGKSA-N 0 0 388.272 3.665 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccccc1[S@@](=O)C(F)(F)F ZINC001137443322 925803107 /nfs/dbraw/zinc/80/31/07/925803107.db2.gz LCFBKXUNOBBZFM-HHHXNRCGSA-N 0 0 397.418 3.828 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(Oc2ncccc2F)CC1 ZINC000373081777 925849265 /nfs/dbraw/zinc/84/92/65/925849265.db2.gz VNNYCGXBXIVKPZ-UHFFFAOYSA-N 0 0 398.482 3.574 20 10 GHCDRN CC(C)c1n[nH]cc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000373095011 925857484 /nfs/dbraw/zinc/85/74/84/925857484.db2.gz MVXJMDRASCGPBL-UHFFFAOYSA-N 0 0 378.423 3.533 20 10 GHCDRN C[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1[O-])c1nccn1C ZINC000827722553 925937459 /nfs/dbraw/zinc/93/74/59/925937459.db2.gz MTNTUWYLQDJFPB-MRVPVSSYSA-N 0 0 389.091 3.502 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1c(C)noc1C1CC1 ZINC000133189821 926116204 /nfs/dbraw/zinc/11/62/04/926116204.db2.gz UZRNJURRIUJNEX-UHFFFAOYSA-N 0 0 379.254 3.991 20 10 GHCDRN C[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1O ZINC000827923012 926290414 /nfs/dbraw/zinc/29/04/14/926290414.db2.gz HKVZPWOHPDVAJT-CYBMUJFWSA-N 0 0 393.409 3.900 20 10 GHCDRN COCN1c2ccc(NC3CCN(c4ccc(OC)cc4)CC3)cc2CCC1=O ZINC000373709352 926354548 /nfs/dbraw/zinc/35/45/48/926354548.db2.gz UWQDIEGGYQKOMI-UHFFFAOYSA-N 0 0 395.503 3.659 20 10 GHCDRN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000389853324 926389227 /nfs/dbraw/zinc/38/92/27/926389227.db2.gz XWNFWMJOOFRNHB-WFASDCNBSA-N 0 0 399.329 3.890 20 10 GHCDRN COc1ccc(N2CCN(c3nc(C(F)(F)F)nc4ccccc43)CC2)cc1 ZINC000072240729 926394923 /nfs/dbraw/zinc/39/49/23/926394923.db2.gz OXSDILBBFNIJMR-UHFFFAOYSA-N 0 0 388.393 3.984 20 10 GHCDRN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+](C)CCC2CCCCC2)c1 ZINC000725785945 926436930 /nfs/dbraw/zinc/43/69/30/926436930.db2.gz LNKDEHFOPZZPQA-UHFFFAOYSA-N 0 0 388.552 3.829 20 10 GHCDRN 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OC1CCN(c2ccc(CN[C@H]3COCc4cccc(Cl)c43)cc2F)CC1 ZINC000924758782 931526736 /nfs/dbraw/zinc/52/67/36/931526736.db2.gz AMBYYBQZQISOMA-IBGZPJMESA-N 0 0 390.886 3.801 20 10 GHCDRN Cc1cc(C(=O)NCC(=O)C2CC2)c(C)n1-c1ccc(Br)cc1 ZINC000783603298 931593378 /nfs/dbraw/zinc/59/33/78/931593378.db2.gz XHOGNRHWRUSYIS-UHFFFAOYSA-N 0 0 375.266 3.566 20 10 GHCDRN CN(C)c1ccc([C@H](CNC(=O)C2=CCCCC2)NC(=O)OC(C)(C)C)cc1 ZINC000783650896 931607986 /nfs/dbraw/zinc/60/79/86/931607986.db2.gz QQPASJPYLCTEBG-IBGZPJMESA-N 0 0 387.524 3.935 20 10 GHCDRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783745701 931641653 /nfs/dbraw/zinc/64/16/53/931641653.db2.gz PQIKLUCYXIGHOQ-NSHDSACASA-N 0 0 382.334 3.721 20 10 GHCDRN CN(C)c1ccc(CNC(=O)c2nccnc2Sc2ccccc2)cc1F ZINC000783942116 931725620 /nfs/dbraw/zinc/72/56/20/931725620.db2.gz MTNNMVGQVUAKOM-UHFFFAOYSA-N 0 0 382.464 3.763 20 10 GHCDRN CNc1c(Cl)ncnc1NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000783994724 931743997 /nfs/dbraw/zinc/74/39/97/931743997.db2.gz 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COC(=O)c1ccc(COc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)cc1 ZINC000799201043 932913239 /nfs/dbraw/zinc/91/32/39/932913239.db2.gz OKYIIWMIPVPAJK-BOPFTXTBSA-N 0 0 399.493 3.883 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cn3c(n2)CCCC3)cc1 ZINC000799306295 932945632 /nfs/dbraw/zinc/94/56/32/932945632.db2.gz VNEPQIPNGSDTKJ-UHFFFAOYSA-N 0 0 378.476 3.721 20 10 GHCDRN C[C@@H](NC(=O)N[C@H]1Cc2ccc(Cl)cc2C1)c1ccc(N2CCOCC2)cc1 ZINC000799893689 933155636 /nfs/dbraw/zinc/15/56/36/933155636.db2.gz VLMNXOQJMBLPOY-QRWLVFNGSA-N 0 0 399.922 3.704 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)NCCCCCCO)cc2Cl)C1 ZINC000799982769 933200790 /nfs/dbraw/zinc/20/07/90/933200790.db2.gz MJBBJMRLFBAASM-MRXNPFEDSA-N 0 0 381.948 3.928 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)NC[C@@H]1CCCC(F)(F)C1 ZINC000799989649 933203728 /nfs/dbraw/zinc/20/37/28/933203728.db2.gz BQRUIJPPGQJOIO-SNVBAGLBSA-N 0 0 377.229 3.779 20 10 GHCDRN Cc1cc(C(=O)Nc2ncn(Cc3cccnc3)n2)c(C)n1-c1cccc(C)c1 ZINC001115929258 933248258 /nfs/dbraw/zinc/24/82/58/933248258.db2.gz 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CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCCOC(F)F)cc1 ZINC000802439513 1021503216 /nfs/dbraw/zinc/50/32/16/1021503216.db2.gz PNOSORZKMKPMMO-UHFFFAOYSA-N 0 0 381.423 3.687 20 10 GHCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)c1[O-] ZINC000802659110 1021517731 /nfs/dbraw/zinc/51/77/31/1021517731.db2.gz FXNIZSOZCLUICM-UHFFFAOYSA-N 0 0 399.838 3.699 20 10 GHCDRN C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc21)c1cccc(C(F)(F)F)c1[O-] ZINC000834826620 1021521323 /nfs/dbraw/zinc/52/13/23/1021521323.db2.gz GFLVOKQFJJVMLV-NEPJUHHUSA-N 0 0 385.407 3.633 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)c1 ZINC000834878169 1021599944 /nfs/dbraw/zinc/59/99/44/1021599944.db2.gz JYBCWUJRWGSCSH-SJKOYZFVSA-N 0 0 397.393 3.972 20 10 GHCDRN CC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-])[C@@H](C)O ZINC000834887094 1021619660 /nfs/dbraw/zinc/61/96/60/1021619660.db2.gz HNECGEGXUJZXRM-SXMVTHIZSA-N 0 0 381.108 3.727 20 10 GHCDRN Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000834909594 1021668145 /nfs/dbraw/zinc/66/81/45/1021668145.db2.gz AXBDUFQTJWEZIZ-KOLCDFICSA-N 0 0 396.260 3.675 20 10 GHCDRN Cc1cc(C(=O)N2CCOc3cc(O)ccc3C2)c(C)n1-c1ccc(F)cc1 ZINC001140440232 1021712947 /nfs/dbraw/zinc/71/29/47/1021712947.db2.gz OEYLICFLUQFAQH-UHFFFAOYSA-N 0 0 380.419 3.974 20 10 GHCDRN CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)Cc1ccc(Cl)cc1O ZINC001140465206 1021757505 /nfs/dbraw/zinc/75/75/05/1021757505.db2.gz IGUDACYAPHYPIM-UHFFFAOYSA-N 0 0 385.888 3.531 20 10 GHCDRN Oc1cc(Cl)ccc1CN1CCCn2cnc(COc3cccnc3)c2C1 ZINC001140464995 1021757929 /nfs/dbraw/zinc/75/79/29/1021757929.db2.gz HDTNXCUEBQEWKN-UHFFFAOYSA-N 0 0 384.867 3.622 20 10 GHCDRN Cc1nc(COC[C@@H]2CN(Cc3cc(C)ccc3O)Cc3ncn(C)c32)cs1 ZINC001140620549 1022092157 /nfs/dbraw/zinc/09/21/57/1022092157.db2.gz SBLKMRSATUNOSS-KRWDZBQOSA-N 0 0 398.532 3.515 20 10 GHCDRN CN(C)c1nc(NCc2ccc(N3CCC(CO)CC3)cc2)nc2ccccc21 ZINC000827416216 1022154694 /nfs/dbraw/zinc/15/46/94/1022154694.db2.gz XFBULADUNVFUNC-UHFFFAOYSA-N 0 0 391.519 3.517 20 10 GHCDRN Cc1cccc(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)c(C)c3)n2)n1 ZINC000680735167 1022219775 /nfs/dbraw/zinc/21/97/75/1022219775.db2.gz OMVYJNAKIVEPLH-UHFFFAOYSA-N 0 0 376.441 3.632 20 10 GHCDRN Cc1cncc([N+](=O)[O-])c1NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC001203062728 1022417817 /nfs/dbraw/zinc/41/78/17/1022417817.db2.gz XHMMNYXBVWIXSS-UHFFFAOYSA-N 0 0 397.479 3.811 20 10 GHCDRN COc1ccc(N2CCN(C(=O)/C(C)=C/c3ccc(OC)c(F)c3)CC2)cc1 ZINC000754011299 1022421658 /nfs/dbraw/zinc/42/16/58/1022421658.db2.gz SRSAQFFDJPXZRI-JQIJEIRASA-N 0 0 384.451 3.595 20 10 GHCDRN O=S1(=O)CCN(Cc2cc3oc4ccccc4c3cc2O)[C@H]2CCCC[C@@H]21 ZINC000754011628 1022421856 /nfs/dbraw/zinc/42/18/56/1022421856.db2.gz KPHCPRJRERQNRV-UWJYYQICSA-N 0 0 385.485 3.833 20 10 GHCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)c1[O-] ZINC000754401284 1022676958 /nfs/dbraw/zinc/67/69/58/1022676958.db2.gz KBIWHOIAELZXDX-INIZCTEOSA-N 0 0 382.888 3.641 20 10 GHCDRN CCN(CC)c1ccc(CN2CC[C@@H](N3CCCCC3)C(F)(F)C2)c(O)c1 ZINC001140857463 1022714684 /nfs/dbraw/zinc/71/46/84/1022714684.db2.gz YTVIGOLQBCYMLG-HXUWFJFHSA-N 0 0 381.511 3.934 20 10 GHCDRN CC[C@@H](CNS(C)(=O)=O)NC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000836190819 1022714928 /nfs/dbraw/zinc/71/49/28/1022714928.db2.gz AXHCUPHOKXNRHS-AWEZNQCLSA-N 0 0 389.481 3.551 20 10 GHCDRN CC(C)[C@H](O)C(C)(C)CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000754641683 1022808140 /nfs/dbraw/zinc/80/81/40/1022808140.db2.gz RLCYSPZFRMMDKC-FQEVSTJZSA-N 0 0 375.557 3.765 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N3CC(C)(C)[C@H]3c3nccn3C)cc2)CC1 ZINC000836290310 1022831598 /nfs/dbraw/zinc/83/15/98/1022831598.db2.gz XUEDMDFLTKUOGJ-HXUWFJFHSA-N 0 0 395.551 3.949 20 10 GHCDRN COc1cc(CN2CCN(C(=O)CC(C)(C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC000754725818 1022860226 /nfs/dbraw/zinc/86/02/26/1022860226.db2.gz HODVDIRGNWPWDA-UHFFFAOYSA-N 0 0 376.541 3.779 20 10 GHCDRN COc1ccc(N2CCN(Cc3ccc(N(C)C)cc3Cl)CC2)c(OC)c1 ZINC001140926755 1022904174 /nfs/dbraw/zinc/90/41/74/1022904174.db2.gz UAYACNHYMYXDAE-UHFFFAOYSA-N 0 0 389.927 3.745 20 10 GHCDRN C[C@](O)(C(=O)NCCCSc1nccs1)c1cccc(C(F)(F)F)c1 ZINC000754846954 1022931260 /nfs/dbraw/zinc/93/12/60/1022931260.db2.gz UUJWKCGFTCSIJX-OAHLLOKOSA-N 0 0 390.452 3.668 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)NCc2ccc(OC(F)F)c(F)c2)cc1 ZINC000836488479 1023024800 /nfs/dbraw/zinc/02/48/00/1023024800.db2.gz LKBQQWRYHYUCEZ-UHFFFAOYSA-N 0 0 381.398 3.835 20 10 GHCDRN C[C@H](NC(=O)N1CC[C@@H](c2ccc(F)cc2)C1)c1ccc(N2CCOCC2)cc1 ZINC000755128748 1023085586 /nfs/dbraw/zinc/08/55/86/1023085586.db2.gz BWMCNVCNIFZGDS-FXAWDEMLSA-N 0 0 397.494 3.922 20 10 GHCDRN CCC[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C(C)(C)C ZINC000836574967 1023134693 /nfs/dbraw/zinc/13/46/93/1023134693.db2.gz BLBJKYYSZVDHJY-FQEVSTJZSA-N 0 0 375.557 3.909 20 10 GHCDRN CCC[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(C)(C)C ZINC000836576830 1023136156 /nfs/dbraw/zinc/13/61/56/1023136156.db2.gz SDDSVQSZYHMUKV-IBGZPJMESA-N 0 0 379.520 3.801 20 10 GHCDRN CC(C)[C@@H]1C[C@H]1CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000836621619 1023181398 /nfs/dbraw/zinc/18/13/98/1023181398.db2.gz OOXVTGCXGSFNPF-KSSFIOAISA-N 0 0 381.467 3.848 20 10 GHCDRN O=C(Nc1ccc(OC(F)F)cn1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000836655401 1023214926 /nfs/dbraw/zinc/21/49/26/1023214926.db2.gz JHRVNPCEFJKMAF-HNNXBMFYSA-N 0 0 393.390 3.602 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)Nc3ccc([C@@H]4CCOC4)cc3)CC2)cc1 ZINC000836697733 1023270921 /nfs/dbraw/zinc/27/09/21/1023270921.db2.gz NSFHUGYMWZTXPS-GOSISDBHSA-N 0 0 395.503 3.990 20 10 GHCDRN CCC[C@H]1CN(Cc2c(O)cc(OC)cc2OC)CCN1C(=O)OC(C)(C)C ZINC001141030861 1023295359 /nfs/dbraw/zinc/29/53/59/1023295359.db2.gz OCKFJCIPVJAFCR-HNNXBMFYSA-N 0 0 394.512 3.631 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)cc2Cl)C1 ZINC000836788455 1023367299 /nfs/dbraw/zinc/36/72/99/1023367299.db2.gz RPPULQADFOEPNQ-FHLIZLRMSA-N 0 0 386.927 3.730 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](c2ccccc2Cl)N(C)C)c1 ZINC000756351087 1023601419 /nfs/dbraw/zinc/60/14/19/1023601419.db2.gz HZVGVAZCXFCZPP-UGSOOPFHSA-N 0 0 376.884 3.786 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](c2ccccc2OC)N2CCCC2)c1 ZINC000756355282 1023604182 /nfs/dbraw/zinc/60/41/82/1023604182.db2.gz PYLZTFSKMLOKHV-JXFKEZNVSA-N 0 0 398.503 3.675 20 10 GHCDRN C[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1)c1cc(F)cc(F)c1[O-] ZINC000756370480 1023614375 /nfs/dbraw/zinc/61/43/75/1023614375.db2.gz IZPDKGVBTPBRKX-ORAYPTAESA-N 0 0 380.410 3.534 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(OC)c(OC(F)F)c2)c1 ZINC000756383169 1023621402 /nfs/dbraw/zinc/62/14/02/1023621402.db2.gz VXMGIOCUXMUJGL-NSHDSACASA-N 0 0 381.375 3.640 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(F)cc2Br)c1 ZINC000756450888 1023657875 /nfs/dbraw/zinc/65/78/75/1023657875.db2.gz VAHNLXKUHJPRFR-SNVBAGLBSA-N 0 0 382.229 3.931 20 10 GHCDRN C[C@@H]([NH2+]CC(=O)NCc1ccccc1)c1cc(Br)cc(Cl)c1[O-] ZINC000756476991 1023675197 /nfs/dbraw/zinc/67/51/97/1023675197.db2.gz VBGSVAFZDWGZKO-LLVKDONJSA-N 0 0 397.700 3.775 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(Br)c(F)c2)c1 ZINC000756498633 1023685590 /nfs/dbraw/zinc/68/55/90/1023685590.db2.gz YGUSUBXZNQDIQL-SNVBAGLBSA-N 0 0 382.229 3.931 20 10 GHCDRN C[C@H]([NH2+]CCC(=O)N1CCCCCC1)c1cc(Br)c(F)cc1[O-] ZINC000756511627 1023692313 /nfs/dbraw/zinc/69/23/13/1023692313.db2.gz XJGLGJRPPLLKJE-LBPRGKRZSA-N 0 0 387.293 3.737 20 10 GHCDRN COc1ccc(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1OC(F)F ZINC000756514353 1023693304 /nfs/dbraw/zinc/69/33/04/1023693304.db2.gz FVBXMJQJFBGBSB-NSHDSACASA-N 0 0 382.363 3.804 20 10 GHCDRN COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000756526918 1023698295 /nfs/dbraw/zinc/69/82/95/1023698295.db2.gz IBWOAVCCWOFQEX-OCCSQVGLSA-N 0 0 391.855 3.892 20 10 GHCDRN COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756531932 1023701225 /nfs/dbraw/zinc/70/12/25/1023701225.db2.gz BSTCJAYFTREQOD-AAEUAGOBSA-N 0 0 391.737 3.570 20 10 GHCDRN C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-])[C@H]1CCOC1 ZINC000756613097 1023738053 /nfs/dbraw/zinc/73/80/53/1023738053.db2.gz NVUBMJMBNUDFOY-UTLUCORTSA-N 0 0 393.119 3.993 20 10 GHCDRN C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1cc(Br)cc(Br)c1[O-] ZINC000756613096 1023738257 /nfs/dbraw/zinc/73/82/57/1023738257.db2.gz NVUBMJMBNUDFOY-LPEHRKFASA-N 0 0 393.119 3.993 20 10 GHCDRN COc1cc(CN2CC[C@H]([NH2+][C@@H](C)c3cc(F)cc(F)c3[O-])C2)cc(OC)c1 ZINC000756647953 1023753173 /nfs/dbraw/zinc/75/31/73/1023753173.db2.gz UHOSWTYWFLZKAU-BBRMVZONSA-N 0 0 392.446 3.613 20 10 GHCDRN CN(CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)c1ccc2c(c1)OCO2 ZINC000756654759 1023756372 /nfs/dbraw/zinc/75/63/72/1023756372.db2.gz MDOJJHJTUADWJO-UHFFFAOYSA-N 0 0 390.443 3.553 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1cc(Br)cc(F)c1[O-] ZINC000756660203 1023760481 /nfs/dbraw/zinc/76/04/81/1023760481.db2.gz KZZQROARMRNYSI-ZBEGNZNMSA-N 0 0 393.256 3.750 20 10 GHCDRN COc1ccc([C@@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])N(C)C)cc1OC ZINC000756664726 1023763542 /nfs/dbraw/zinc/76/35/42/1023763542.db2.gz PGYMNUBEPNTCBD-SJKOYZFVSA-N 0 0 380.435 3.641 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCc2nc(-c3ccncc3)cs2)c1 ZINC000756704370 1023781334 /nfs/dbraw/zinc/78/13/34/1023781334.db2.gz MPGQSBSEYQSHFO-AWEZNQCLSA-N 0 0 397.500 3.981 20 10 GHCDRN C[C@H]([NH2+]CCNC(=O)c1cccc(Br)c1)c1cc(F)cc(F)c1[O-] ZINC000756703919 1023781426 /nfs/dbraw/zinc/78/14/26/1023781426.db2.gz KQDDBEXXXMABHF-JTQLQIEISA-N 0 0 399.235 3.514 20 10 GHCDRN C[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756736340 1023793216 /nfs/dbraw/zinc/79/32/16/1023793216.db2.gz MLJZTUOIFWPPDD-SNVBAGLBSA-N 0 0 389.721 3.765 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)c1 ZINC000756737480 1023793973 /nfs/dbraw/zinc/79/39/73/1023793973.db2.gz GUQPCJIEBCWFRS-MGPLVRAMSA-N 0 0 384.259 3.870 20 10 GHCDRN C[C@@H]([NH2+][C@H](CCO)C1CC1)c1cc(Br)cc(Br)c1[O-] ZINC000756740683 1023795234 /nfs/dbraw/zinc/79/52/34/1023795234.db2.gz SPEQSALJVAXIFR-AMIZOPFISA-N 0 0 393.119 3.729 20 10 GHCDRN C[C@H]1C[C@H](Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)c2c1c(F)ccc2O ZINC000756802182 1023819067 /nfs/dbraw/zinc/81/90/67/1023819067.db2.gz FURUKCORPZRTJP-NHYWBVRUSA-N 0 0 389.858 3.781 20 10 GHCDRN C[C@H]1C[C@H](Nc2ccc(CC(=O)N3CCOCC3)cc2)c2c1c(F)ccc2O ZINC000756801645 1023820371 /nfs/dbraw/zinc/82/03/71/1023820371.db2.gz BMRVBFIISOJDMF-KSSFIOAISA-N 0 0 384.451 3.593 20 10 GHCDRN C[C@H](Nc1cccc(N2CCNC2=O)c1)c1cc(Br)cc(F)c1O ZINC000756818778 1023826506 /nfs/dbraw/zinc/82/65/06/1023826506.db2.gz HOSJQHNHAXMDMX-JTQLQIEISA-N 0 0 394.244 3.997 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCc2nc(-c3ccccc3)ncc2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756819026 1023826811 /nfs/dbraw/zinc/82/68/11/1023826811.db2.gz BCWOBGPQHUDPRK-YOEHRIQHSA-N 0 0 390.443 3.966 20 10 GHCDRN COc1ccc(N[C@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1NS(C)(=O)=O ZINC000756869393 1023840875 /nfs/dbraw/zinc/84/08/75/1023840875.db2.gz VJKXQAPNQMRQAK-YGRLFVJLSA-N 0 0 380.441 3.572 20 10 GHCDRN C[C@@H](NC(=O)C(F)(F)c1c(F)cccc1F)c1ccc(N2CCOCC2)cc1 ZINC000756947505 1023880507 /nfs/dbraw/zinc/88/05/07/1023880507.db2.gz KBUUISJQGWYUEG-CYBMUJFWSA-N 0 0 396.384 3.771 20 10 GHCDRN Cc1cc(C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000756999650 1023903863 /nfs/dbraw/zinc/90/38/63/1023903863.db2.gz MPQUIQVUTBJPAA-WOJBJXKFSA-N 0 0 388.895 3.768 20 10 GHCDRN Cc1cc(C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000757001624 1023904262 /nfs/dbraw/zinc/90/42/62/1023904262.db2.gz XLGBPHXZDYPCIS-VXKWHMMOSA-N 0 0 382.504 3.731 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@H]([C@H](O)C(F)(F)F)C2)c(C)n1-c1ccc(F)cc1 ZINC000837036662 1023970619 /nfs/dbraw/zinc/97/06/19/1023970619.db2.gz IKVUGTDQUUCZPA-GUYCJALGSA-N 0 0 384.373 3.619 20 10 GHCDRN Cc1cc(C(=O)N2CCC(OCCOC(C)C)CC2)c(C)n1-c1ccccn1 ZINC000837095004 1024016525 /nfs/dbraw/zinc/01/65/25/1024016525.db2.gz NQTGTSJVSPYTFY-UHFFFAOYSA-N 0 0 385.508 3.535 20 10 GHCDRN O=S(=O)(CCOCc1ccccc1)N(Cc1ccccc1O)C1CCCC1 ZINC000830628255 1024026201 /nfs/dbraw/zinc/02/62/01/1024026201.db2.gz USIHMPMYZYRWRR-UHFFFAOYSA-N 0 0 389.517 3.683 20 10 GHCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001138126899 1024172752 /nfs/dbraw/zinc/17/27/52/1024172752.db2.gz LVOFLPFCFZDLSL-UNMCSNQZSA-N 0 0 386.467 3.514 20 10 GHCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001138127277 1024172812 /nfs/dbraw/zinc/17/28/12/1024172812.db2.gz VMOQTAGHFJSKKW-HSZRJFAPSA-N 0 0 391.446 3.662 20 10 GHCDRN COCCC[N@H+](Cc1cccc(F)c1[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001138127458 1024175429 /nfs/dbraw/zinc/17/54/29/1024175429.db2.gz COAXPSRJPZFSSJ-KRWDZBQOSA-N 0 0 396.503 3.769 20 10 GHCDRN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCc3ccc(N)cc3)c12 ZINC000837302663 1024328906 /nfs/dbraw/zinc/32/89/06/1024328906.db2.gz BOOCZCBQUKCNFN-UHFFFAOYSA-N 0 0 377.492 3.884 20 10 GHCDRN CCOC(=O)c1nc2c(s1)CN(Cc1ccc(N3CCCCC3)cc1)CC2 ZINC001138220598 1024394349 /nfs/dbraw/zinc/39/43/49/1024394349.db2.gz HGJDPMXYTDRMCM-UHFFFAOYSA-N 0 0 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Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1ccc([S@@](C)=O)c(F)c1 ZINC000841653899 1028802798 /nfs/dbraw/zinc/80/27/98/1028802798.db2.gz KLWIMUQUVCRTNF-LOKFHWFJSA-N 0 0 391.512 3.690 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1nnc(CC(C)C)s1 ZINC001214599700 1028812480 /nfs/dbraw/zinc/81/24/80/1028812480.db2.gz BELFFUZNJFWTRN-AWEZNQCLSA-N 0 0 375.542 3.864 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1nc(C(F)F)cc1C1CC1 ZINC001142417320 1028858430 /nfs/dbraw/zinc/85/84/30/1028858430.db2.gz QHJVMGACRBDQFS-UHFFFAOYSA-N 0 0 376.451 3.813 20 10 GHCDRN COc1cc([C@H](C)NC(=O)NCCc2ccc(N)cc2)ccc1OCC(C)C ZINC000841706557 1028861478 /nfs/dbraw/zinc/86/14/78/1028861478.db2.gz HSDARZRNRNWPCK-INIZCTEOSA-N 0 0 385.508 3.915 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)Nc2cccc([C@@H]3CCC(=O)N3)c2)C2CC2)cc1 ZINC000841763566 1028919680 /nfs/dbraw/zinc/91/96/80/1028919680.db2.gz ZVLRBJXLJIUKKL-NRFANRHFSA-N 0 0 392.503 3.900 20 10 GHCDRN CCOc1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000841784828 1028934897 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Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1nc(C(C)(C)C)ns1 ZINC001215165397 1029069950 /nfs/dbraw/zinc/06/99/50/1029069950.db2.gz QWQQOBKAWCQAGF-ZDUSSCGKSA-N 0 0 375.542 3.963 20 10 GHCDRN Cc1cc(-c2noc(-c3cc(O)c(O)c(O)c3)n2)cc(C)c1Br ZINC001215327559 1029154991 /nfs/dbraw/zinc/15/49/91/1029154991.db2.gz IGLMVUJFBQQSAM-UHFFFAOYSA-N 0 0 377.194 3.900 20 10 GHCDRN COc1ccc(C(N)=O)cc1Nc1ccc(NC(=O)Nc2ccc(N)cc2)cc1 ZINC001215345609 1029164208 /nfs/dbraw/zinc/16/42/08/1029164208.db2.gz ZQHAPPZBPHLDOP-UHFFFAOYSA-N 0 0 391.431 3.764 20 10 GHCDRN Cc1ccc(C(=O)Nc2ccn(-c3ccccc3C(F)(F)F)n2)c(O)c1O ZINC001142636730 1029189931 /nfs/dbraw/zinc/18/99/31/1029189931.db2.gz IXVLMIFTVOQPFR-UHFFFAOYSA-N 0 0 377.322 3.863 20 10 GHCDRN NC(=O)Cc1cccc(C(=O)c2ccccc2)c1Nc1cc(F)c(O)cc1F ZINC001215574505 1029290070 /nfs/dbraw/zinc/29/00/70/1029290070.db2.gz WPNISCXGOINIOA-UHFFFAOYSA-N 0 0 382.366 3.673 20 10 GHCDRN CCOC(=O)c1cc(NC(=O)NCc2ccc(N(CC)CC)c(F)c2)cn1C ZINC001215589893 1029294790 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URYBXNCIQMOPOB-UHFFFAOYSA-N 0 0 379.287 3.586 20 10 GHCDRN C[N@H+](Cc1cc(Cl)c(Cl)cc1[O-])[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001236803001 1041904912 /nfs/dbraw/zinc/90/49/12/1041904912.db2.gz LMYKMABFFUJXOT-ATCWAGBWSA-N 0 0 387.307 3.996 20 10 GHCDRN COc1ccc(C[N@H+]2C[C@H](NC(=O)OC(C)(C)C)C[C@H](C)C2)c([O-])c1Cl ZINC001236808348 1041908839 /nfs/dbraw/zinc/90/88/39/1041908839.db2.gz XIWQJSVRQMGTGD-GXTWGEPZSA-N 0 0 384.904 3.789 20 10 GHCDRN COc1ccc(C[NH+]2CCC(N3Cc4ccccc4C3=O)CC2)c([O-])c1Cl ZINC001236809281 1041909374 /nfs/dbraw/zinc/90/93/74/1041909374.db2.gz KRUNBOWMPYNURZ-UHFFFAOYSA-N 0 0 386.879 3.675 20 10 GHCDRN COc1ccc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)CC2)c([O-])c1Cl ZINC001236812455 1041912315 /nfs/dbraw/zinc/91/23/15/1041912315.db2.gz WJYRGWUPWQMTAI-AWEZNQCLSA-N 0 0 384.904 3.933 20 10 GHCDRN COc1cccc(C(=O)N2CCN(Cc3cc4ccccc4cc3O)CC2)c1 ZINC001236835970 1041922915 /nfs/dbraw/zinc/92/29/15/1041922915.db2.gz VVKBOHNOILSBMK-UHFFFAOYSA-N 0 0 376.456 3.512 20 10 GHCDRN CC(C)c1ccc(CN2CCn3c(Cc4ccc(F)cc4)nnc3C2)c(O)c1 ZINC001237048909 1042007696 /nfs/dbraw/zinc/00/76/96/1042007696.db2.gz JPSYAUBXLQWIQL-UHFFFAOYSA-N 0 0 380.467 3.853 20 10 GHCDRN CCOCc1cnc2n1CCN(Cc1ccc(OCC(F)(F)F)cc1O)[C@@H]2C ZINC001237053008 1042011883 /nfs/dbraw/zinc/01/18/83/1042011883.db2.gz XKDGUEJBODKRSU-CYBMUJFWSA-N 0 0 399.413 3.643 20 10 GHCDRN COc1cc(O)c(CN(C)Cc2cnc(Cl)s2)c(Br)c1 ZINC001237058974 1042014589 /nfs/dbraw/zinc/01/45/89/1042014589.db2.gz DLYSVEYLSRJSIV-UHFFFAOYSA-N 0 0 377.691 3.905 20 10 GHCDRN Oc1cc(OCC(F)(F)F)ccc1CN1CCO[C@H](COc2ccccc2)C1 ZINC001237059455 1042015532 /nfs/dbraw/zinc/01/55/32/1042015532.db2.gz NZJPWDBXLPXRDT-SFHVURJKSA-N 0 0 397.393 3.613 20 10 GHCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001237079554 1042026002 /nfs/dbraw/zinc/02/60/02/1042026002.db2.gz LZXLEVCGUABQTM-LIRRHRJNSA-N 0 0 395.286 3.906 20 10 GHCDRN CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1Cc1c(O)ccc(F)c1Cl ZINC001237128211 1042055187 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/nfs/dbraw/zinc/30/35/41/1042303541.db2.gz WWTVVBXJFAFNMF-UHFFFAOYSA-N 0 0 396.418 3.921 20 10 GHCDRN CCOC(=O)C1(N(Cc2ccccc2)Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237678516 1042319833 /nfs/dbraw/zinc/31/98/33/1042319833.db2.gz ZZBSGTSQMMBZBW-UHFFFAOYSA-N 0 0 385.460 3.507 20 10 GHCDRN Cc1cc(Cl)cc(CN2CCc3c(CN(C)C)nn(C(C)C)c3C2)c1O ZINC001237680462 1042322181 /nfs/dbraw/zinc/32/21/81/1042322181.db2.gz SPEXILNGWDMJTK-UHFFFAOYSA-N 0 0 376.932 3.751 20 10 GHCDRN Cc1cc(O)c(CN2CCO[C@@H](COc3ccccc3)C2)cc1Br ZINC001237683430 1042323429 /nfs/dbraw/zinc/32/34/29/1042323429.db2.gz ZQMSLBROSYQWEV-QGZVFWFLSA-N 0 0 392.293 3.743 20 10 GHCDRN COc1cc2c(cc1OC)CN(Cc1cc(Br)c(C)cc1O)C2 ZINC001237683513 1042324278 /nfs/dbraw/zinc/32/42/78/1042324278.db2.gz BWKLUAQSTVAEOP-UHFFFAOYSA-N 0 0 378.266 3.996 20 10 GHCDRN COC(=O)c1ccc2c(c1)CN(Cc1cc(Br)c(C)cc1O)C2 ZINC001237685986 1042326492 /nfs/dbraw/zinc/32/64/92/1042326492.db2.gz SFVZQCWZBXCSMF-UHFFFAOYSA-N 0 0 376.250 3.766 20 10 GHCDRN O=S(=O)(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)c1cc(Cl)cc(Cl)c1[O-] ZINC001237717554 1042340038 /nfs/dbraw/zinc/34/00/38/1042340038.db2.gz BMYDZZRPSQNBEZ-LLVKDONJSA-N 0 0 387.288 3.577 20 10 GHCDRN C[C@@]1(CF)CC(F)(F)CN1Cc1cccc(I)c1O ZINC001237776241 1042363901 /nfs/dbraw/zinc/36/39/01/1042363901.db2.gz JLSCJTIHARAPQM-LBPRGKRZSA-N 0 0 385.167 3.566 20 10 GHCDRN [O-]c1c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc(Br)cc1C(F)(F)F ZINC001237783468 1042367562 /nfs/dbraw/zinc/36/75/62/1042367562.db2.gz IMBMWROFIMEYKO-KOLCDFICSA-N 0 0 380.204 3.642 20 10 GHCDRN Oc1c(I)cccc1CN1Cc2cnc(Cl)cc2C1 ZINC001237786767 1042369076 /nfs/dbraw/zinc/36/90/76/1042369076.db2.gz MNMLKHDGGXIDRL-UHFFFAOYSA-N 0 0 386.620 3.561 20 10 GHCDRN CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cc(Br)cc(C(F)(F)F)c1[O-] ZINC001237792097 1042372622 /nfs/dbraw/zinc/37/26/22/1042372622.db2.gz OLTKUITZCLZXIV-LBPRGKRZSA-N 0 0 382.220 3.909 20 10 GHCDRN Oc1cc(Cl)c(F)cc1CN1CCN(Cc2ccncc2)c2ncccc2C1 ZINC001237938153 1042428971 /nfs/dbraw/zinc/42/89/71/1042428971.db2.gz UQZKIZAQGFWGSS-UHFFFAOYSA-N 0 0 398.869 3.997 20 10 GHCDRN Nc1ncc(CCNS(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)s1 ZINC001238714597 1042698152 /nfs/dbraw/zinc/69/81/52/1042698152.db2.gz VEWZKDCNDQORIE-QURGRASLSA-N 0 0 387.490 3.662 20 10 GHCDRN CC(C)(C)C(=O)OCn1ccc2c1ncnc2-c1cnn(Cc2ccccc2)c1 ZINC001240001877 1042870481 /nfs/dbraw/zinc/87/04/81/1042870481.db2.gz PMASTAMPJMAYNP-UHFFFAOYSA-N 0 0 389.459 3.890 20 10 GHCDRN COc1ccc(Cn2cc(-c3ccn(Cc4ccc(F)cc4)c(=O)c3)cn2)cc1 ZINC001240464294 1042932987 /nfs/dbraw/zinc/93/29/87/1042932987.db2.gz UPAIKLSNUOHNNC-UHFFFAOYSA-N 0 0 389.430 3.956 20 10 GHCDRN Cc1cccn2cc(CNCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)nc12 ZINC000736641773 1043144480 /nfs/dbraw/zinc/14/44/80/1043144480.db2.gz MJACIAPLWYOLND-UHFFFAOYSA-N 0 0 379.464 3.831 20 10 GHCDRN CC[C@H](C)c1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1C[C@H]1C[C@H]1C ZINC001291442675 1043258824 /nfs/dbraw/zinc/25/88/24/1043258824.db2.gz JGRATXQYSGIKFS-NLWGTHIKSA-N 0 0 397.567 3.921 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2c[nH]cc3nc(C(F)(F)F)nc2-3)cc1 ZINC001291710980 1043410851 /nfs/dbraw/zinc/41/08/51/1043410851.db2.gz LILMWOIQPCXPMM-UHFFFAOYSA-N 0 0 391.397 3.753 20 10 GHCDRN CCC1(Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccccc2O)CC1 ZINC001292442580 1043735783 /nfs/dbraw/zinc/73/57/83/1043735783.db2.gz WTHCBIMEQJYYJD-UHFFFAOYSA-N 0 0 377.492 3.796 20 10 GHCDRN CC(C)(C)OC(=O)N[C@]1(c2nnc(-c3ccc(-n4cccc4)cc3)o2)CCOC1 ZINC001256970649 1043778364 /nfs/dbraw/zinc/77/83/64/1043778364.db2.gz ZFIVAOWPWDFVHX-OAQYLSRUSA-N 0 0 396.447 3.668 20 10 GHCDRN FC(F)(F)COc1nccnc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256981429 1043782591 /nfs/dbraw/zinc/78/25/91/1043782591.db2.gz NEENUMJNFGRONC-UHFFFAOYSA-N 0 0 387.321 3.925 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)c3ccc(-c4cn[nH]c4)cn3)cc2)CC1 ZINC001293143725 1044034737 /nfs/dbraw/zinc/03/47/37/1044034737.db2.gz BEAKDAHHFXENIM-UHFFFAOYSA-N 0 0 375.476 3.638 20 10 GHCDRN O=C1CSC(=S)N1CCCc1nnc([C@H]2C[C@H]2c2ccc(Cl)cc2)o1 ZINC001257655443 1044103861 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GHCDRN COc1c(Br)c([N+](=O)[O-])c(N(C)[C@H](C)C2(C)CC2)cc1[N+](=O)[O-] ZINC000764162485 1068097367 /nfs/dbraw/zinc/09/73/67/1068097367.db2.gz SVXAXLWDDZBBCL-MRVPVSSYSA-N 0 0 388.218 3.899 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3CC(C)(C)c4ccccc43)C2)cc1 ZINC001469318617 1068099769 /nfs/dbraw/zinc/09/97/69/1068099769.db2.gz GNCHZAVIFLGZNH-IERDGZPVSA-N 0 0 379.504 3.996 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001360273946 1068435743 /nfs/dbraw/zinc/43/57/43/1068435743.db2.gz SZGZUFMUUBUGEJ-UHFFFAOYSA-N 0 0 381.354 3.918 20 10 GHCDRN CC(C)[C@@H](O)CCNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC001469960505 1068490127 /nfs/dbraw/zinc/49/01/27/1068490127.db2.gz PPKKUILDGWDYOK-BEFAXECRSA-N 0 0 381.948 3.783 20 10 GHCDRN COc1ccc(N2CCN(C(=O)NC[C@@H]3CCC[C@@H](C)[C@H]3C)CC2)cc1F ZINC001470002108 1068512890 /nfs/dbraw/zinc/51/28/90/1068512890.db2.gz VWAMQWDXVYIIJM-ZACQAIPSSA-N 0 0 377.504 3.738 20 10 GHCDRN COC(=O)[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C[C@@H](C)O1 ZINC001470112918 1068578331 /nfs/dbraw/zinc/57/83/31/1068578331.db2.gz NSVIHQFXCAOIMX-IERDGZPVSA-N 0 0 398.503 3.620 20 10 GHCDRN C[C@H]1CN(C(=O)NCCCSc2nccs2)CC[C@H]1C(=O)OC(C)(C)C ZINC001478182292 1078756248 /nfs/dbraw/zinc/75/62/48/1078756248.db2.gz WMBUKENKDLIZBA-UONOGXRCSA-N 0 0 399.582 3.635 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)Nc2cccc(-c3cn(C)nn3)c2)c1 ZINC001470311667 1068676987 /nfs/dbraw/zinc/67/69/87/1068676987.db2.gz HWVOMVHHESIKJH-UHFFFAOYSA-N 0 0 399.454 3.954 20 10 GHCDRN Cc1cc(-c2nnc(N(C)CC(C)C)n2CC2(O)CC2)c(C)n1-c1ccccc1 ZINC001361046042 1068750267 /nfs/dbraw/zinc/75/02/67/1068750267.db2.gz SOBOIJQDUKAYSE-UHFFFAOYSA-N 0 0 393.535 3.970 20 10 GHCDRN CCN(C)c1ccc(CN2CCC(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC001460720467 1069121520 /nfs/dbraw/zinc/12/15/20/1069121520.db2.gz IXKNDPNDVDJRFA-UHFFFAOYSA-N 0 0 386.561 3.889 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)NCCOC(F)(F)F)cc2Cl)C1 ZINC001478528995 1078906204 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383.536 3.829 20 10 GHCDRN O=C(NCC[C@H]1CCCC1(F)F)NCc1cccc(Br)c1O ZINC001471184049 1072956735 /nfs/dbraw/zinc/95/67/35/1072956735.db2.gz OSOADBPPCVJJTH-LLVKDONJSA-N 0 0 377.229 3.779 20 10 GHCDRN C[C@H](NC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C)c1ccccc1O ZINC001478850127 1079003068 /nfs/dbraw/zinc/00/30/68/1079003068.db2.gz ZCWOLESUWALQKO-SQWLQELKSA-N 0 0 377.485 3.540 20 10 GHCDRN C[C@H](NC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F)c1ccccc1O ZINC001471194657 1072961838 /nfs/dbraw/zinc/96/18/38/1072961838.db2.gz NYMZTUYTEUZCSE-JTQLQIEISA-N 0 0 394.328 3.622 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N3CCc4cc(C)c(C)cc43)C2)cc1 ZINC001478860764 1079005980 /nfs/dbraw/zinc/00/59/80/1079005980.db2.gz RVUKKLCJDNYOKP-SFHVURJKSA-N 0 0 379.504 3.911 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N(Cc3ccc(Cl)cc3)OC)C2)cc1 ZINC001478957005 1079038450 /nfs/dbraw/zinc/03/84/50/1079038450.db2.gz KVQNGWNKYHYMEV-KRWDZBQOSA-N 0 0 389.883 3.701 20 10 GHCDRN C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)NCc1cccc(O)c1O ZINC001471642399 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Cc1cc(O)c(CN2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1C ZINC000748078142 835364515 /nfs/dbraw/zinc/36/45/15/835364515.db2.gz RBVKPPSBZRBMEO-UHFFFAOYSA-N 0 0 376.859 3.760 20 10 GHCDRN Cc1ncc(/C=C\C(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)s1 ZINC000255652566 835455635 /nfs/dbraw/zinc/45/56/35/835455635.db2.gz VUIMRDPQEUOZCU-HLRDLLSLSA-N 0 0 381.501 3.608 20 10 GHCDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(OC)ccc1O ZINC000780514643 835667573 /nfs/dbraw/zinc/66/75/73/835667573.db2.gz LRBRAZDYNCSFKB-UHFFFAOYSA-N 0 0 376.434 3.741 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)Nc2ccc(C(N)=O)nc2)cc1 ZINC000255756466 835725621 /nfs/dbraw/zinc/72/56/21/835725621.db2.gz QNIPFBUKRGDNNQ-UHFFFAOYSA-N 0 0 388.431 3.914 20 10 GHCDRN CCOc1cc(/C=C/C(=O)NC2CCN(c3ccc(OC)cc3)CC2)ccc1O ZINC000179472363 835727814 /nfs/dbraw/zinc/72/78/14/835727814.db2.gz UFGWQGXZOJHTTM-VZUCSPMQSA-N 0 0 396.487 3.598 20 10 GHCDRN Cc1cc(C(=O)Nc2ccccc2CN2CCOCC2)c(C)n1-c1ccccn1 ZINC000065653204 835822933 /nfs/dbraw/zinc/82/29/33/835822933.db2.gz OPCZIYZRLOXHIB-UHFFFAOYSA-N 0 0 390.487 3.574 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000176835349 835978461 /nfs/dbraw/zinc/97/84/61/835978461.db2.gz VGEAAEKOGDWDCN-VQTJNVASSA-N 0 0 385.508 3.924 20 10 GHCDRN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471222436 835980265 /nfs/dbraw/zinc/98/02/65/835980265.db2.gz GQMFJMOZBLFOOG-HKUYNNGSSA-N 0 0 378.472 3.924 20 10 GHCDRN C[C@H](NC(=O)Nc1ccc2oc(=O)ccc2c1)c1ccc(N2CCOCC2)cc1 ZINC000065829044 835993121 /nfs/dbraw/zinc/99/31/21/835993121.db2.gz MNLLCOWLQKLMGF-HNNXBMFYSA-N 0 0 393.443 3.512 20 10 GHCDRN O=C1/C(=C/c2csc(-c3ccc4c(c3)OCO4)n2)SC(=S)N1C1CC1 ZINC000728611168 836038667 /nfs/dbraw/zinc/03/86/67/836038667.db2.gz UUZNDHNPLPJJHR-NSIKDUERSA-N 0 0 388.495 3.902 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000728223017 836188308 /nfs/dbraw/zinc/18/83/08/836188308.db2.gz RKEOGGBFJCYIQJ-OAQYLSRUSA-N 0 0 393.531 3.540 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)cc1 ZINC000728222241 836217269 /nfs/dbraw/zinc/21/72/69/836217269.db2.gz BEFZPSXQSRWAHX-HSZRJFAPSA-N 0 0 380.488 3.663 20 10 GHCDRN COCCN1C(=O)CCc2cc(NCc3cc(Cl)cc(OC)c3O)ccc21 ZINC000275125972 836309363 /nfs/dbraw/zinc/30/93/63/836309363.db2.gz JFWFJFXWAYEPFY-UHFFFAOYSA-N 0 0 390.867 3.592 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2cnn(-c3ccncc3)c2C(F)F)cc1 ZINC000782673806 837113115 /nfs/dbraw/zinc/11/31/15/837113115.db2.gz WGXISQQRYBWLLI-UHFFFAOYSA-N 0 0 399.445 3.981 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000066343792 837260892 /nfs/dbraw/zinc/26/08/92/837260892.db2.gz CPSWGXINBDHJQK-LJQANCHMSA-N 0 0 398.526 3.950 20 10 GHCDRN O=C(CN1CCC[C@@H](OCCO)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255912639 837287052 /nfs/dbraw/zinc/28/70/52/837287052.db2.gz YREKFFACMOWOKR-HXUWFJFHSA-N 0 0 382.464 3.514 20 10 GHCDRN CC(=O)c1cc(Cl)cc(CN2CCC(NC(=O)C3CCCCC3)CC2)c1O ZINC000177269745 837900566 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CCCCS(=O)(=O)Nc1ccc(NCc2cc(OC)c(OC)cc2O)cc1 ZINC000272033371 846975291 /nfs/dbraw/zinc/97/52/91/846975291.db2.gz YZECRHIKLNRSMR-UHFFFAOYSA-N 0 0 394.493 3.563 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C2SCCS2)cc1 ZINC000273128423 847256980 /nfs/dbraw/zinc/25/69/80/847256980.db2.gz BFILOTWSOIASHU-LBPRGKRZSA-N 0 0 375.515 3.937 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1cc(F)cc2c1OCOC2 ZINC000273137532 847258516 /nfs/dbraw/zinc/25/85/16/847258516.db2.gz WAWPYQUQTKVVCO-UHFFFAOYSA-N 0 0 398.478 3.884 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)c1cccc([C@@H]2CCOC2)c1 ZINC000277612596 847291638 /nfs/dbraw/zinc/29/16/38/847291638.db2.gz VMZLIYFHNBBLQQ-OAHLLOKOSA-N 0 0 376.250 3.589 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1nc(-c2ccncc2)no1 ZINC000121805757 847333721 /nfs/dbraw/zinc/33/37/21/847333721.db2.gz BSNROYZARFROME-UHFFFAOYSA-N 0 0 379.445 3.531 20 10 GHCDRN Cc1nc2ccc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cc2nc1C ZINC000065561122 847712467 /nfs/dbraw/zinc/71/24/67/847712467.db2.gz 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CC[C@@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000732827762 862526546 /nfs/dbraw/zinc/52/65/46/862526546.db2.gz MSFSBRVCBNEGCI-QFIPXVFZSA-N 0 0 380.532 3.780 20 10 GHCDRN C[C@@H](CC(=O)NCc1ccc(N2CCCC2)cc1)n1cc(Br)cn1 ZINC000843766803 854333455 /nfs/dbraw/zinc/33/34/55/854333455.db2.gz TYFHOCNRCZWAJF-AWEZNQCLSA-N 0 0 391.313 3.513 20 10 GHCDRN C[C@H](NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)C1CC1 ZINC000045202403 854387779 /nfs/dbraw/zinc/38/77/79/854387779.db2.gz AFSIYVPMSNXFLZ-HKLRHMNMSA-N 0 0 380.560 3.644 20 10 GHCDRN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000843768726 854441376 /nfs/dbraw/zinc/44/13/76/854441376.db2.gz KTEMMRILJYKQNF-UHFFFAOYSA-N 0 0 389.452 3.526 20 10 GHCDRN Cc1cc(C(=O)CN2CCC[C@H]2c2nncn2C)c(C)n1-c1ccc(C)cc1 ZINC000156927029 854495865 /nfs/dbraw/zinc/49/58/65/854495865.db2.gz HLBSWFLJQIWFPI-FQEVSTJZSA-N 0 0 377.492 3.551 20 10 GHCDRN COc1cc(/C=C2\SC(=S)N(c3cccnc3)C2=O)cc(OC)c1OC ZINC000007166066 854633639 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O=S(=O)(NCc1cccc(O)c1O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197187686 873621905 /nfs/dbraw/zinc/62/19/05/873621905.db2.gz KZGTYVMQMUTQEV-QURGRASLSA-N 0 0 383.429 3.992 20 10 GHCDRN O=C1CCN(S(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)CC[C@H]1F ZINC001197160419 873630285 /nfs/dbraw/zinc/63/02/85/873630285.db2.gz ALBYUXJRMLATBC-SGRLSNSRSA-N 0 0 375.425 3.794 20 10 GHCDRN COc1cc(Br)cc(CNc2cccc3c2CCN3C(C)=O)c1O ZINC000768947308 873671572 /nfs/dbraw/zinc/67/15/72/873671572.db2.gz QBLLAPYWAQEHBZ-UHFFFAOYSA-N 0 0 391.265 3.684 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCOC3(CCOCC3)C2)c(C)n1-c1ccc(F)cc1 ZINC000768948229 873672111 /nfs/dbraw/zinc/67/21/11/873672111.db2.gz IDELHRLZMJDFGW-SFHVURJKSA-N 0 0 386.467 3.691 20 10 GHCDRN COc1cc(C(=O)NCc2ccc(O)c(O)c2)cc(Cl)c1OCC(C)C ZINC000768916562 873685052 /nfs/dbraw/zinc/68/50/52/873685052.db2.gz FQIQSOYJCPPYTL-UHFFFAOYSA-N 0 0 379.840 3.725 20 10 GHCDRN Cn1c2ccccc2nc1[C@@H]1CCCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768918471 873687508 /nfs/dbraw/zinc/68/75/08/873687508.db2.gz IRCZYXSYUCZWJU-QFIPXVFZSA-N 0 0 394.494 3.886 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)C2CC2)cc1 ZINC000768939220 873705650 /nfs/dbraw/zinc/70/56/50/873705650.db2.gz YWLCWJJFIUNDGL-UHFFFAOYSA-N 0 0 377.488 3.787 20 10 GHCDRN Fc1cc(F)c(F)c(NC(=S)NCc2ccc(N3CCOCC3)cc2)c1F ZINC001197407099 873779190 /nfs/dbraw/zinc/77/91/90/873779190.db2.gz WFLDXQNMBMHRGA-UHFFFAOYSA-N 0 0 399.413 3.566 20 10 GHCDRN Oc1cccc(Cl)c1CN1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000769147211 873816881 /nfs/dbraw/zinc/81/68/81/873816881.db2.gz VWXFGJZRDCKFLY-UHFFFAOYSA-N 0 0 391.302 3.665 20 10 GHCDRN Cc1noc(C(F)(F)F)c1C(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001197593487 873930599 /nfs/dbraw/zinc/93/05/99/873930599.db2.gz YMMVDFWKBSZIFT-HLMAIMJZSA-N 0 0 390.325 3.969 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000760133438 873944433 /nfs/dbraw/zinc/94/44/33/873944433.db2.gz QPSLZGPEPSJLQI-HUUCEWRRSA-N 0 0 392.496 3.615 20 10 GHCDRN CN(C[C@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1)C(=O)OC(C)(C)C ZINC000769331067 873970379 /nfs/dbraw/zinc/97/03/79/873970379.db2.gz GMQQMKLKUSSRNG-GFCCVEGCSA-N 0 0 399.875 3.643 20 10 GHCDRN COCCOC[C@H]1CCN(CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)C1 ZINC000744416599 874018859 /nfs/dbraw/zinc/01/88/59/874018859.db2.gz CVTYUPPBXOKHSI-FQEVSTJZSA-N 0 0 384.520 3.570 20 10 GHCDRN COCCOC[C@@H]1CCN(CC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000744417700 874019989 /nfs/dbraw/zinc/01/99/89/874019989.db2.gz XITMIQAJVJBSLK-HXUWFJFHSA-N 0 0 384.520 3.570 20 10 GHCDRN CC(C)OC(=O)[C@@H]1CCCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769462365 874087980 /nfs/dbraw/zinc/08/79/80/874087980.db2.gz GCIKWJGKWPBNGK-SFHVURJKSA-N 0 0 375.469 3.501 20 10 GHCDRN Cc1ccccc1[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)CO1 ZINC000769474159 874094758 /nfs/dbraw/zinc/09/47/58/874094758.db2.gz SAWGGECCYSZQNG-FDDCHVKYSA-N 0 0 384.495 3.933 20 10 GHCDRN Cc1ccccc1[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)[C@H](C)CO1 ZINC000769474161 874094823 /nfs/dbraw/zinc/09/48/23/874094823.db2.gz SAWGGECCYSZQNG-JPYJTQIMSA-N 0 0 384.495 3.933 20 10 GHCDRN COc1cccc(CNC(=O)COc2ccc(OCc3ccccc3)cc2)c1O ZINC000769508466 874116879 /nfs/dbraw/zinc/11/68/79/874116879.db2.gz VLHRCDJCTQZVPV-UHFFFAOYSA-N 0 0 393.439 3.675 20 10 GHCDRN CC(C)CC(=O)N[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)c1ccccc1 ZINC000769564026 874161861 /nfs/dbraw/zinc/16/18/61/874161861.db2.gz QSXNNVQIRMATFK-HSZRJFAPSA-N 0 0 394.515 3.791 20 10 GHCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccccc2Oc2ccccc2)c1 ZINC000769633685 874179277 /nfs/dbraw/zinc/17/92/77/874179277.db2.gz NMCNBQADTHTZBY-UHFFFAOYSA-N 0 0 398.440 3.808 20 10 GHCDRN CC(C)(C)c1nnc2ccc(C(=O)NCc3c(O)ccc4c3CCCC4)cn21 ZINC000769602077 874188696 /nfs/dbraw/zinc/18/86/96/874188696.db2.gz DVGPBEDSIOFEJT-UHFFFAOYSA-N 0 0 378.476 3.541 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)N[C@@H](c1ccccn1)C1CCC1 ZINC000528171675 874191845 /nfs/dbraw/zinc/19/18/45/874191845.db2.gz HEMTVJVNBPMPBN-QGZVFWFLSA-N 0 0 390.281 3.890 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc3c(cc2O)OCO3)cc1 ZINC000769671212 874224366 /nfs/dbraw/zinc/22/43/66/874224366.db2.gz AGJQULCTCZRAQX-UHFFFAOYSA-N 0 0 394.427 3.623 20 10 GHCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2csc(Cl)n2)cc1 ZINC000769688855 874232554 /nfs/dbraw/zinc/23/25/54/874232554.db2.gz DHGCGOYBQJRTAG-HNNXBMFYSA-N 0 0 379.913 3.684 20 10 GHCDRN CCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H](CC)c1ccccc1 ZINC000769735639 874273665 /nfs/dbraw/zinc/27/36/65/874273665.db2.gz MOHXCSKRNWTVMR-GOSISDBHSA-N 0 0 390.505 3.767 20 10 GHCDRN COC(=O)c1cc(NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)ccc1F ZINC001198576419 874490793 /nfs/dbraw/zinc/49/07/93/874490793.db2.gz NRNMWGALTNYESU-CQSZACIVSA-N 0 0 387.455 3.739 20 10 GHCDRN CCCOc1cccc(CC(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1 ZINC000770154478 874517776 /nfs/dbraw/zinc/51/77/76/874517776.db2.gz LZQUUJVDNSLVOQ-UHFFFAOYSA-N 0 0 382.504 3.765 20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)N3CCCC34CCC4)cc2F)C[C@H](C)O1 ZINC000770260000 874550676 /nfs/dbraw/zinc/55/06/76/874550676.db2.gz ARZVKLLMOKYNDU-HOTGVXAUSA-N 0 0 375.488 3.667 20 10 GHCDRN COc1ccc(OC)c(CN(C(=O)NCc2ccc(N(C)C)cc2C)C2CC2)c1 ZINC000115854410 882842209 /nfs/dbraw/zinc/84/22/09/882842209.db2.gz DWCWBSAAGTWOFV-UHFFFAOYSA-N 0 0 397.519 3.952 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000115854111 882842451 /nfs/dbraw/zinc/84/24/51/882842451.db2.gz IPZMQFPFIFURNY-HXUWFJFHSA-N 0 0 389.446 3.622 20 10 GHCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)c1cnccc1OC1CCC1 ZINC001198869052 874685927 /nfs/dbraw/zinc/68/59/27/874685927.db2.gz ZFRSAYBACWSZAS-OPMSBBQGSA-N 0 0 388.431 3.980 20 10 GHCDRN CCOc1cc2c(cc1NC(=O)N1CCOc3cc(N(C)C)ccc31)O[C@@H](C)C2 ZINC000541993972 874720069 /nfs/dbraw/zinc/72/00/69/874720069.db2.gz KNLKGEJROPELEE-AWEZNQCLSA-N 0 0 397.475 3.906 20 10 GHCDRN Cc1cc(O)c(CNc2cccc(C(=O)N3CCCC[C@@H]3CCO)c2)cc1C ZINC000770523682 874744071 /nfs/dbraw/zinc/74/40/71/874744071.db2.gz JLNRZIZLESTEPU-OAQYLSRUSA-N 0 0 382.504 3.998 20 10 GHCDRN CS(=O)(=O)NCc1ccc(NCc2cc(-c3ccccc3)ccc2O)cc1 ZINC000770582457 874768948 /nfs/dbraw/zinc/76/89/48/874768948.db2.gz RTKWDOJPELTTFO-UHFFFAOYSA-N 0 0 382.485 3.721 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1cncn1C1CCOCC1 ZINC001199082854 874799244 /nfs/dbraw/zinc/79/92/44/874799244.db2.gz GZVWCYHWRJFWBF-HXUWFJFHSA-N 0 0 383.492 3.610 20 10 GHCDRN O=[N+]([O-])c1cc(C[N@@H+]2CCSC3(CCOCC3)C2)ccc1N1CCCCC1 ZINC000770666634 874812061 /nfs/dbraw/zinc/81/20/61/874812061.db2.gz ROVFSGDMEACGBI-UHFFFAOYSA-N 0 0 391.537 3.683 20 10 GHCDRN COc1cc2c(cc1C[NH2+]Cc1cc(Br)cc(F)c1[O-])O[C@H](C)C2 ZINC001199144665 874821123 /nfs/dbraw/zinc/82/11/23/874821123.db2.gz UTHATWHRRIMXPC-SNVBAGLBSA-N 0 0 396.256 3.916 20 10 GHCDRN CC(C)Oc1cnccc1C(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001199156394 874830059 /nfs/dbraw/zinc/83/00/59/874830059.db2.gz BOSZHPCRKXFIBN-GIICBJEOSA-N 0 0 376.420 3.836 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1cn(Cc2ccncc2)cn1 ZINC001199423592 874962483 /nfs/dbraw/zinc/96/24/83/874962483.db2.gz ZXICZLSHVZJCHI-OAQYLSRUSA-N 0 0 390.487 3.702 20 10 GHCDRN C[C@@H](NC(=O)N1C[C@@H](C)C(F)(F)[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000858159774 882896925 /nfs/dbraw/zinc/89/69/25/882896925.db2.gz FQGURZUOKWAKLW-OWCLPIDISA-N 0 0 381.467 3.517 20 10 GHCDRN COCCn1c(C)c(C)c2cc(-c3nc(-c4ccc(C)n(C)c4=O)no3)ccc21 ZINC000771249514 875122313 /nfs/dbraw/zinc/12/23/13/875122313.db2.gz NIYKDSUYNGPSAE-UHFFFAOYSA-N 0 0 392.459 3.629 20 10 GHCDRN CN(C)c1cc(F)c(CNc2ccc(C(=O)NCC(F)(F)F)cc2)cc1F ZINC000858161473 882898549 /nfs/dbraw/zinc/89/85/49/882898549.db2.gz RKUASIPPPBPRSJ-UHFFFAOYSA-N 0 0 387.352 3.935 20 10 GHCDRN CC(C)Oc1cc(C(=O)NCc2cc(Cl)c3cccnc3c2O)cnc1F ZINC001199721224 875145204 /nfs/dbraw/zinc/14/52/04/875145204.db2.gz LOCLSSTYRUHHOK-UHFFFAOYSA-N 0 0 389.814 3.845 20 10 GHCDRN COc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2c2csc(Br)c2)c1 ZINC000528861271 875164830 /nfs/dbraw/zinc/16/48/30/875164830.db2.gz JXXBJKGHHZWJOQ-QWHCGFSZSA-N 0 0 382.279 3.645 20 10 GHCDRN CCOC(=O)[C@H](C)NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC001199800353 875193232 /nfs/dbraw/zinc/19/32/32/875193232.db2.gz VHEVKNFPKUIEDG-LBPRGKRZSA-N 0 0 390.892 3.809 20 10 GHCDRN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)NCCCSc1nccs1 ZINC000771426434 875260677 /nfs/dbraw/zinc/26/06/77/875260677.db2.gz HSRBMDYTHXATHD-WFASDCNBSA-N 0 0 383.514 3.840 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1CCO[C@@H](C)C1 ZINC000771437775 875267948 /nfs/dbraw/zinc/26/79/48/875267948.db2.gz YSGBKYCRDKQNNY-STQMWFEESA-N 0 0 385.302 3.501 20 10 GHCDRN Cc1cc(C[NH2+]Cc2cc(Br)cc(Br)c2[O-])no1 ZINC000776056787 875284108 /nfs/dbraw/zinc/28/41/08/875284108.db2.gz SIBGQFGXVIVQCZ-UHFFFAOYSA-N 0 0 376.048 3.503 20 10 GHCDRN COc1cccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)c1O ZINC000105650482 875355129 /nfs/dbraw/zinc/35/51/29/875355129.db2.gz IHYJORBVEKQFKR-HUUCEWRRSA-N 0 0 376.250 3.583 20 10 GHCDRN C[C@@H](NC(=O)NC1(Cc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000776119941 875368764 /nfs/dbraw/zinc/36/87/64/875368764.db2.gz QCTNCOFSCRXNRP-GOSISDBHSA-N 0 0 379.504 3.659 20 10 GHCDRN Fc1cc(-c2nc(-c3cnc(OCC(F)F)cn3)no2)ccc1-n1cccc1 ZINC000771746715 875432959 /nfs/dbraw/zinc/43/29/59/875432959.db2.gz QBSRSAWQMHQSQV-UHFFFAOYSA-N 0 0 387.321 3.767 20 10 GHCDRN S=C(NCc1cccc(OC2COC2)n1)Nc1cccc(Cl)c1Cl ZINC001201026275 875445727 /nfs/dbraw/zinc/44/57/27/875445727.db2.gz JMZQKHNJOURXEZ-UHFFFAOYSA-N 0 0 384.288 3.653 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(Cn2ccnn2)cc1 ZINC000858202316 882936043 /nfs/dbraw/zinc/93/60/43/882936043.db2.gz SZTXMNFGQJXCEY-UHFFFAOYSA-N 0 0 389.503 3.589 20 10 GHCDRN COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000771765234 875472052 /nfs/dbraw/zinc/47/20/52/875472052.db2.gz ZHNBCVZPNWBPDM-KRWDZBQOSA-N 0 0 383.492 3.541 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N3CCc4c(O)cccc4C3)cc2)CC1 ZINC000858204481 882939119 /nfs/dbraw/zinc/93/91/19/882939119.db2.gz GTPLUGVOJRTQDN-UHFFFAOYSA-N 0 0 379.504 3.896 20 10 GHCDRN COc1ccc([C@H](OC)[C@H](C)NC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000771941046 875562645 /nfs/dbraw/zinc/56/26/45/875562645.db2.gz QADQTELJTAEAEU-HTAPYJJXSA-N 0 0 397.519 3.871 20 10 GHCDRN O=S(=O)(c1cc(Cl)c(Cl)cc1F)N1CCc2cccc(O)c2C1 ZINC001201261567 875598710 /nfs/dbraw/zinc/59/87/10/875598710.db2.gz CZVKJMYJRCKLKM-UHFFFAOYSA-N 0 0 376.236 3.585 20 10 GHCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000776150841 875599297 /nfs/dbraw/zinc/59/92/97/875599297.db2.gz AGZUXGKZDRPTOK-SFHVURJKSA-N 0 0 381.303 3.862 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000776150035 875601856 /nfs/dbraw/zinc/60/18/56/875601856.db2.gz KKJBJAKBGVTCDG-HSZRJFAPSA-N 0 0 379.504 3.792 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C2(OCc3ccccc3)CCOCC2)cc1 ZINC000772065771 875685452 /nfs/dbraw/zinc/68/54/52/875685452.db2.gz WJRUTJFUIDPNCF-UHFFFAOYSA-N 0 0 396.531 3.915 20 10 GHCDRN O=C1[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CCCN1c1ccc(OC(F)F)cc1 ZINC000776174517 875691574 /nfs/dbraw/zinc/69/15/74/875691574.db2.gz CWJNLWBTVRXTPT-MRXNPFEDSA-N 0 0 396.821 3.932 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(C)c1Cc1ccccc1 ZINC000772151950 875748098 /nfs/dbraw/zinc/74/80/98/875748098.db2.gz MRLYJLHJQUJLTP-UHFFFAOYSA-N 0 0 376.504 3.739 20 10 GHCDRN CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000776218865 875891237 /nfs/dbraw/zinc/89/12/37/875891237.db2.gz LQXPIWNQRGBVLL-BXKDBHETSA-N 0 0 395.135 3.804 20 10 GHCDRN CCOC(=O)CCC1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000776238183 875997859 /nfs/dbraw/zinc/99/78/59/875997859.db2.gz LMISPZGYQCDOGZ-MRXNPFEDSA-N 0 0 375.513 3.579 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)NCCCC(C)(C)C)cc1 ZINC000804524627 882987430 /nfs/dbraw/zinc/98/74/30/882987430.db2.gz TUNWEULLAOVDQY-UHFFFAOYSA-N 0 0 399.535 3.817 20 10 GHCDRN COc1ccc(N2CCN(CCNC(=O)Nc3ccc(C4CC4)cc3)CC2)cc1 ZINC000772567171 876028789 /nfs/dbraw/zinc/02/87/89/876028789.db2.gz SQAOOOPQZFEFRY-UHFFFAOYSA-N 0 0 394.519 3.516 20 10 GHCDRN Cc1ccc(Cn2cccc(NC(=O)NCc3ccc(N(C)C)cc3)c2=O)cc1 ZINC000151867879 876037436 /nfs/dbraw/zinc/03/74/36/876037436.db2.gz MTJPKSNCFLPMMX-UHFFFAOYSA-N 0 0 390.487 3.593 20 10 GHCDRN Cc1cc(Br)c(O)c(CNc2nnc(-c3ccccn3)s2)c1 ZINC000776263508 876070449 /nfs/dbraw/zinc/07/04/49/876070449.db2.gz DNUNXGDVUBXFRU-UHFFFAOYSA-N 0 0 377.267 3.989 20 10 GHCDRN O=C(NCc1cc(Br)ccc1Br)C1=CC(=O)CS1 ZINC000776270286 876109639 /nfs/dbraw/zinc/10/96/39/876109639.db2.gz FQYVCNZNHNUIKH-UHFFFAOYSA-N 0 0 391.084 3.909 20 10 GHCDRN Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NCc1ccc(N(C)C)c(F)c1 ZINC001202336884 876150855 /nfs/dbraw/zinc/15/08/55/876150855.db2.gz YIWQVZJWAVCCTL-UHFFFAOYSA-N 0 0 393.528 3.841 20 10 GHCDRN C[C@@H](NC(=O)[C@H](C)OC(=O)c1cccc(O)c1O)c1ccc(Cl)cc1Cl ZINC000776282934 876152225 /nfs/dbraw/zinc/15/22/25/876152225.db2.gz YVORLYDXAXIQHW-ZJUUUORDSA-N 0 0 398.242 3.827 20 10 GHCDRN COc1cccc(F)c1[C@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761475294 876182901 /nfs/dbraw/zinc/18/29/01/876182901.db2.gz PAHKEKUSVNJYSY-NSHDSACASA-N 0 0 392.814 3.719 20 10 GHCDRN Cc1cc(CNCc2cn(Cc3cccnc3)nn2)c(C)n1-c1cccc(C)c1 ZINC000858293727 883006606 /nfs/dbraw/zinc/00/66/06/883006606.db2.gz OZLSEAVKSQIEKS-UHFFFAOYSA-N 0 0 386.503 3.727 20 10 GHCDRN COCCOCc1ccc(NCc2cc(Br)cc(OC)c2O)cc1 ZINC000858298855 883007809 /nfs/dbraw/zinc/00/78/09/883007809.db2.gz WFZKXYFELHBGOD-UHFFFAOYSA-N 0 0 396.281 3.938 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1ccc([S@@](C)(=N)=O)cc1 ZINC000888466123 876240926 /nfs/dbraw/zinc/24/09/26/876240926.db2.gz OERBKYZVXQEKDE-RXAIFQJESA-N 0 0 388.537 3.849 20 10 GHCDRN COc1cccc(CNC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)c1O ZINC000106916181 876273690 /nfs/dbraw/zinc/27/36/90/876273690.db2.gz WRKGGABQESHJGU-UHFFFAOYSA-N 0 0 392.242 3.823 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000858320722 883021373 /nfs/dbraw/zinc/02/13/73/883021373.db2.gz GZJRFYGAVKLALM-PKOBYXMFSA-N 0 0 391.874 3.738 20 10 GHCDRN CCCC(=O)N1CCCC[C@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108295054 876451211 /nfs/dbraw/zinc/45/12/11/876451211.db2.gz QYGSKVAEYJSDCD-NRFANRHFSA-N 0 0 385.552 3.720 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)Cn3ccc(=O)c4ccccc43)cc2)CC1 ZINC000108294269 876451575 /nfs/dbraw/zinc/45/15/75/876451575.db2.gz FVTKCSQALIDKJP-UHFFFAOYSA-N 0 0 389.499 3.554 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000108431503 876466442 /nfs/dbraw/zinc/46/64/42/876466442.db2.gz JCGGESBZDIRIJC-OAQYLSRUSA-N 0 0 385.483 3.547 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)NCCCOCC(F)(F)F)cc2)CC1 ZINC000108443877 876470757 /nfs/dbraw/zinc/47/07/57/876470757.db2.gz CVOBNIKAIQSENS-UHFFFAOYSA-N 0 0 387.446 3.691 20 10 GHCDRN Cc1ccc(C(N)=O)cc1NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108510360 876481396 /nfs/dbraw/zinc/48/13/96/876481396.db2.gz ZFYRXHNDMJEOPW-UHFFFAOYSA-N 0 0 380.492 3.652 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)c2ccc(NC(=O)C3CC3)cc2)C2CC2)cc1 ZINC000914438812 883034184 /nfs/dbraw/zinc/03/41/84/883034184.db2.gz SYXSCTSSNYEQDL-UHFFFAOYSA-N 0 0 377.488 3.906 20 10 GHCDRN C[C@H](NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000786208545 876528674 /nfs/dbraw/zinc/52/86/74/876528674.db2.gz RRYKHEJIXKIEIF-DAYGRLMNSA-N 0 0 375.513 3.575 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@H]1CCOc2ccccc21 ZINC000108884262 876530892 /nfs/dbraw/zinc/53/08/92/876530892.db2.gz FXMHLFLXANBDJE-SFHVURJKSA-N 0 0 397.544 3.605 20 10 GHCDRN OC1CCN(c2ccc(CNc3nc(-c4ccc(F)cc4)no3)cc2F)CC1 ZINC000858353670 883044188 /nfs/dbraw/zinc/04/41/88/883044188.db2.gz DAYIUBOUWNRBSR-UHFFFAOYSA-N 0 0 386.402 3.588 20 10 GHCDRN COc1cc(C(F)(F)F)nc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000858365926 883051880 /nfs/dbraw/zinc/05/18/80/883051880.db2.gz VCNCCQLBHLATQC-LBPRGKRZSA-N 0 0 382.386 3.514 20 10 GHCDRN COc1ccc(O)c(CNC(=O)c2cc(Cl)cc(F)c2Br)c1 ZINC000786411681 876677773 /nfs/dbraw/zinc/67/77/73/876677773.db2.gz WUKYVEIRIOAVLC-UHFFFAOYSA-N 0 0 388.620 3.886 20 10 GHCDRN CCNC(=O)Nc1ccc(C)c(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000786421868 876682616 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C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)C1(C)C)c1ccc(N2CCOCC2)cc1 ZINC000786726255 876888578 /nfs/dbraw/zinc/88/85/78/876888578.db2.gz ZPRWJJGSQVSGSE-YOEHRIQHSA-N 0 0 399.457 3.957 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)CCCc3ccc(O)c(F)c3)CC2)cc1 ZINC000786865010 876989689 /nfs/dbraw/zinc/98/96/89/876989689.db2.gz HZMIZRGIVNZQSV-UHFFFAOYSA-N 0 0 386.467 3.648 20 10 GHCDRN C[C@@H]1CC[C@@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)C1 ZINC000776478104 877037048 /nfs/dbraw/zinc/03/70/48/877037048.db2.gz CVZHIDNMKGOUNB-SZVBFZGTSA-N 0 0 389.540 3.871 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000786966055 877054919 /nfs/dbraw/zinc/05/49/19/877054919.db2.gz KMXSIUOUOXEHCM-LJQANCHMSA-N 0 0 398.482 3.574 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000786926641 877061373 /nfs/dbraw/zinc/06/13/73/877061373.db2.gz NHBHYIRLQRUBDX-JTQLQIEISA-N 0 0 398.337 3.957 20 10 GHCDRN Cc1cscc1CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 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MLBAVTNGKZEDOI-YBEGLDIGSA-N 0 0 387.482 3.772 20 10 GHCDRN COC[C@H]([NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-])[C@@H]1CCCO1 ZINC000788618301 878213518 /nfs/dbraw/zinc/21/35/18/878213518.db2.gz ADQZDMZMVLKLNS-IIMNLJJBSA-N 0 0 378.694 3.653 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000852303570 878219227 /nfs/dbraw/zinc/21/92/27/878219227.db2.gz TUZHXKISBQERJP-LEWJYISDSA-N 0 0 399.922 3.656 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1OC(F)(F)F ZINC000179939024 878226671 /nfs/dbraw/zinc/22/66/71/878226671.db2.gz CRTCADXLUVDVJH-UHFFFAOYSA-N 0 0 394.393 3.694 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1CCCCC12CCCC2 ZINC000852351228 878270403 /nfs/dbraw/zinc/27/04/03/878270403.db2.gz KJMSGHWCXULQIR-NRFANRHFSA-N 0 0 385.552 3.950 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000852384370 878290635 /nfs/dbraw/zinc/29/06/35/878290635.db2.gz CBPMGLYHRBEEAB-VCOUNFBDSA-N 0 0 387.568 3.983 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@@H](CC(F)(F)F)C3)C2)cc1 ZINC000852450133 878331020 /nfs/dbraw/zinc/33/10/20/878331020.db2.gz ZNVMDWFSEDBUMY-LSDHHAIUSA-N 0 0 385.430 3.648 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cc(F)c(F)c(F)c3)C2)cc1 ZINC000852453625 878334164 /nfs/dbraw/zinc/33/41/64/878334164.db2.gz KLSITFUMLIUGFE-AWEZNQCLSA-N 0 0 393.409 3.533 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H](C(F)(F)F)CC[C@@H]3C)C2)cc1 ZINC000852455250 878334811 /nfs/dbraw/zinc/33/48/11/878334811.db2.gz TXXLACAEQUBBHF-KKUMJFAQSA-N 0 0 385.430 3.646 20 10 GHCDRN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000788833903 878367836 /nfs/dbraw/zinc/36/78/36/878367836.db2.gz WURYONZTNUIDER-BEFAXECRSA-N 0 0 397.519 3.661 20 10 GHCDRN CC[C@H]1c2ccsc2CCN1C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788930909 878428594 /nfs/dbraw/zinc/42/85/94/878428594.db2.gz WXDMJRGGRFGIEZ-IBGZPJMESA-N 0 0 397.544 3.501 20 10 GHCDRN CC(C)CCN(CCC(C)C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788936341 878483277 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Cn1c2ccc(OS(=O)(=O)CCC[C@@H]3CCOC3)cc2c2c1CCCC2 ZINC001212281067 878719641 /nfs/dbraw/zinc/71/96/41/878719641.db2.gz ZZDVYUZDCXWHLG-OAHLLOKOSA-N 0 0 377.506 3.582 20 10 GHCDRN Cc1[nH]c(=O)c(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1-c1ccccc1 ZINC000530930757 878797926 /nfs/dbraw/zinc/79/79/26/878797926.db2.gz HVDYTMIXBKQWSZ-UHFFFAOYSA-N 0 0 389.455 3.868 20 10 GHCDRN Cc1cc(C(=O)NCC(=O)OC(C)C)c(C)n1-c1ccc(Br)cc1 ZINC000111094395 878822125 /nfs/dbraw/zinc/82/21/25/878822125.db2.gz SUEUAJJYWLHDGR-UHFFFAOYSA-N 0 0 393.281 3.538 20 10 GHCDRN Cc1nc(-c2ccccn2)nc(NCc2ccc(N3CCOCC3)cc2)c1C ZINC000068669987 878859286 /nfs/dbraw/zinc/85/92/86/878859286.db2.gz DCSJRLYFTPQXKJ-UHFFFAOYSA-N 0 0 375.476 3.604 20 10 GHCDRN COc1cc(NCc2ccc(N3CCOCC3)cc2)c(Cl)cc1[N+](=O)[O-] ZINC000853229619 878912808 /nfs/dbraw/zinc/91/28/08/878912808.db2.gz IELWVOAFCYRKAI-UHFFFAOYSA-N 0 0 377.828 3.706 20 10 GHCDRN Cc1nc(C)c(Br)c(N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000853232385 878914515 /nfs/dbraw/zinc/91/45/15/878914515.db2.gz BIHMHCFXIIUYNJ-LBPRGKRZSA-N 0 0 391.313 3.866 20 10 GHCDRN C[C@H]([NH2+]CCOCCF)c1cc(Br)cc(Br)c1[O-] ZINC000853238848 878917750 /nfs/dbraw/zinc/91/77/50/878917750.db2.gz SQTRUQZQXGOZFX-QMMMGPOBSA-N 0 0 385.071 3.554 20 10 GHCDRN O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)N[C@H](c1ccccc1)C1CC1 ZINC000111232920 878957710 /nfs/dbraw/zinc/95/77/10/878957710.db2.gz ZIJJPWISJYCYOY-XUZZJYLKSA-N 0 0 394.515 3.641 20 10 GHCDRN CC(C)[C@H](O)[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000853411904 879009269 /nfs/dbraw/zinc/00/92/69/879009269.db2.gz PKISXKIWARIXLZ-VXKWHMMOSA-N 0 0 381.520 3.844 20 10 GHCDRN CCc1c(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cnn1C1CCCC1 ZINC000789627059 879099302 /nfs/dbraw/zinc/09/93/02/879099302.db2.gz UGQULQCVFWIBEO-UHFFFAOYSA-N 0 0 396.535 3.922 20 10 GHCDRN COc1cc(O)c(CN2Cc3ccc(C)c(Br)c3C2)cc1OC ZINC000853608474 879162488 /nfs/dbraw/zinc/16/24/88/879162488.db2.gz URMJFMDLGBBDPW-UHFFFAOYSA-N 0 0 378.266 3.996 20 10 GHCDRN CC[NH+](CC)CCN(C)Cc1cc(Br)cc(Br)c1[O-] ZINC001203562987 912425701 /nfs/dbraw/zinc/42/57/01/912425701.db2.gz SNDDGYJZXQKKTL-UHFFFAOYSA-N 0 0 394.151 3.691 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)C(C)(C)c1ccccc1 ZINC000853657981 879207531 /nfs/dbraw/zinc/20/75/31/879207531.db2.gz IJLIYHKHTJGQSB-SFHVURJKSA-N 0 0 395.547 3.813 20 10 GHCDRN Nc1ccc(N(C(=O)C(=O)Nc2nc3c(s2)CCC3)C2CCCCC2)cc1 ZINC000789756690 879237193 /nfs/dbraw/zinc/23/71/93/879237193.db2.gz GOYXWYIADRPHBU-UHFFFAOYSA-N 0 0 384.505 3.518 20 10 GHCDRN Cc1ccccc1[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000853725071 879244131 /nfs/dbraw/zinc/24/41/31/879244131.db2.gz KRZPBXMBMIBKLP-QHCPKHFHSA-N 0 0 393.531 3.907 20 10 GHCDRN CCc1nc([C@@H](C)NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cs1 ZINC000111528373 879248683 /nfs/dbraw/zinc/24/86/83/879248683.db2.gz QHPMNPMNLKUULY-CQSZACIVSA-N 0 0 388.537 3.743 20 10 GHCDRN COc1ccc(N2CCN(C(=O)C3(c4cccc(OC)c4)CCCC3)CC2)cc1 ZINC001127276737 879277397 /nfs/dbraw/zinc/27/73/97/879277397.db2.gz WPHFJOFXLPVION-UHFFFAOYSA-N 0 0 394.515 3.864 20 10 GHCDRN 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O=C(CSc1nccs1)c1ccccc1N1C(=O)c2ccccc2C1=O ZINC000790262131 879577027 /nfs/dbraw/zinc/57/70/27/879577027.db2.gz ZWEWGKIYYIESQA-UHFFFAOYSA-N 0 0 380.450 3.919 20 10 GHCDRN COc1cc(OC2CC2)ccc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000790357658 879626389 /nfs/dbraw/zinc/62/63/89/879626389.db2.gz YTHGMFNXQFCEBS-UHFFFAOYSA-N 0 0 398.528 3.720 20 10 GHCDRN C[C@H](NC(=O)c1coc(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1 ZINC000152743486 879628032 /nfs/dbraw/zinc/62/80/32/879628032.db2.gz BNCGJFNPKNIXMV-INIZCTEOSA-N 0 0 377.444 3.669 20 10 GHCDRN Cc1cc(C(=O)CN2C[C@H](C)OC3(CCOCC3)C2)c(C)n1-c1ccc(C)cc1 ZINC000790361496 879629498 /nfs/dbraw/zinc/62/94/98/879629498.db2.gz WIPHXXUOYGCZRP-IBGZPJMESA-N 0 0 396.531 3.855 20 10 GHCDRN O=C(c1cccc(O)c1O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000790529117 879794961 /nfs/dbraw/zinc/79/49/61/879794961.db2.gz YNFPMBFNIQLWFG-UHFFFAOYSA-N 0 0 380.213 3.804 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Cc3cccc(C(F)F)c3)CC2)cc1F ZINC000790556712 879812864 /nfs/dbraw/zinc/81/28/64/879812864.db2.gz 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[O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000790965011 880108368 /nfs/dbraw/zinc/10/83/68/880108368.db2.gz YYGOIHSXGAYNPO-XJKSGUPXSA-N 0 0 377.765 3.809 20 10 GHCDRN CN1CCO[C@H]([C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)c2ccc(Cl)cc2)C1 ZINC000790982156 880140654 /nfs/dbraw/zinc/14/06/54/880140654.db2.gz RBMNYKOKFMINCF-PKOBYXMFSA-N 0 0 399.293 4.000 20 10 GHCDRN Cc1cc(CC(=O)N2CCC[C@H](N3CCCC3=O)CC2)c(C)n1-c1ccccc1 ZINC000854944319 880165019 /nfs/dbraw/zinc/16/50/19/880165019.db2.gz KDTIBAJNSLFWHT-NRFANRHFSA-N 0 0 393.531 3.640 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C2CC2)cc1 ZINC000746978625 880229483 /nfs/dbraw/zinc/22/94/83/880229483.db2.gz YPRLATWKNWIYGJ-UHFFFAOYSA-N 0 0 384.499 3.832 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CC(=O)N(C3CC3)C2)cc1 ZINC000791190968 880245194 /nfs/dbraw/zinc/24/51/94/880245194.db2.gz GBEANSBENCAUKY-UHFFFAOYSA-N 0 0 377.448 3.572 20 10 GHCDRN Cc1cc(C(=O)N2C[C@H](C)S(=O)[C@@H](C)C2)c(C)n1-c1cccc(Cl)c1 ZINC000791182389 880260568 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380.410 3.903 20 10 GHCDRN O=C(CCSc1ccccc1F)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856209920 881043512 /nfs/dbraw/zinc/04/35/12/881043512.db2.gz HICIBKGSBPRVNX-UHFFFAOYSA-N 0 0 388.508 3.585 20 10 GHCDRN CC[C@H](C)c1ccccc1OCC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856209876 881043634 /nfs/dbraw/zinc/04/36/34/881043634.db2.gz FYVUORKXKWHIKK-SFHVURJKSA-N 0 0 396.531 3.856 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000856211526 881045917 /nfs/dbraw/zinc/04/59/17/881045917.db2.gz SYVCGPFUJTXWOL-UKILVPOCSA-N 0 0 390.527 3.558 20 10 GHCDRN CC(C)(C)O[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000856212072 881046913 /nfs/dbraw/zinc/04/69/13/881046913.db2.gz HCDUUAAJYJCUGR-QFIPXVFZSA-N 0 0 396.531 3.820 20 10 GHCDRN Cc1cc(C(=O)CN2CCn3cnnc3[C@@H]2C)c(C)n1-c1cc(C)cc(C)c1 ZINC000792380415 881089050 /nfs/dbraw/zinc/08/90/50/881089050.db2.gz TXCBTNKHHNGQBU-SFHVURJKSA-N 0 0 377.492 3.562 20 10 GHCDRN COc1cc(C(F)(F)F)ncc1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000792505831 881170221 /nfs/dbraw/zinc/17/02/21/881170221.db2.gz YPOJUWMSIDYVKQ-UHFFFAOYSA-N 0 0 392.381 3.807 20 10 GHCDRN CN1c2ccc(Br)cc2N(C(=O)c2cccc(O)c2O)CC1(C)C ZINC000792555639 881189119 /nfs/dbraw/zinc/18/91/19/881189119.db2.gz JQXLEGUTTAJASI-UHFFFAOYSA-N 0 0 391.265 3.736 20 10 GHCDRN Cc1c(Br)scc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000187488839 881210275 /nfs/dbraw/zinc/21/02/75/881210275.db2.gz JFMNYZFLHFUOKW-UHFFFAOYSA-N 0 0 381.295 3.924 20 10 GHCDRN CC(C)CC(=O)N[C@@H](C(=O)NCCCSc1nccs1)c1ccccc1 ZINC000114374751 881336959 /nfs/dbraw/zinc/33/69/59/881336959.db2.gz AMBCKXKSYPEKAD-QGZVFWFLSA-N 0 0 391.562 3.645 20 10 GHCDRN CC(=O)N(C)c1cccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000174962961 883124705 /nfs/dbraw/zinc/12/47/05/883124705.db2.gz BZXYPDIYFLQMDX-UHFFFAOYSA-N 0 0 398.532 3.544 20 10 GHCDRN CC(=O)N1CCN(c2ccc(CNc3ncc(Cl)cc3Cl)cc2)CC1 ZINC000804645425 883155859 /nfs/dbraw/zinc/15/58/59/883155859.db2.gz YQYGEFMVQOUGEC-UHFFFAOYSA-N 0 0 379.291 3.669 20 10 GHCDRN COc1ccc(O)c(CNC(=O)N[C@@H](C)[C@@H](OC)c2ccc(Cl)cc2)c1 ZINC000153175392 883216916 /nfs/dbraw/zinc/21/69/16/883216916.db2.gz XCNHLTBTTOOBMH-KPZWWZAWSA-N 0 0 378.856 3.630 20 10 GHCDRN CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2cc(Br)cc(Br)c2[O-])C1 ZINC000858593121 883221329 /nfs/dbraw/zinc/22/13/29/883221329.db2.gz SZZSSOLNTLHOMX-KKZNHRDASA-N 0 0 393.119 3.993 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000858593016 883221744 /nfs/dbraw/zinc/22/17/44/883221744.db2.gz QRKFJSILXLUVAR-IBGZPJMESA-N 0 0 392.459 3.534 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000804682502 883237911 /nfs/dbraw/zinc/23/79/11/883237911.db2.gz KFDZFTDHWYCUHM-OAQYLSRUSA-N 0 0 398.478 3.928 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000858625800 883241329 /nfs/dbraw/zinc/24/13/29/883241329.db2.gz CJPWTZFZGBNLSI-WOJBJXKFSA-N 0 0 382.479 3.862 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC[C@@H](c3nc(C)no3)C2)c1 ZINC000858674137 883274129 /nfs/dbraw/zinc/27/41/29/883274129.db2.gz HCJVBLPRZZHZKP-GOSISDBHSA-N 0 0 392.459 3.618 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC[C@H](c3nc(C)no3)C2)c1 ZINC000858674138 883274846 /nfs/dbraw/zinc/27/48/46/883274846.db2.gz HCJVBLPRZZHZKP-SFHVURJKSA-N 0 0 392.459 3.618 20 10 GHCDRN CCC[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)c1ccccn1 ZINC000804701506 883288561 /nfs/dbraw/zinc/28/85/61/883288561.db2.gz GTWGKYCYBLKIMF-NRFANRHFSA-N 0 0 396.535 3.542 20 10 GHCDRN Cc1c(Cl)cccc1OCC(=O)NCc1cc(Br)ccc1O ZINC000804739481 883299043 /nfs/dbraw/zinc/29/90/43/883299043.db2.gz ZMJYVTGFYCRITO-UHFFFAOYSA-N 0 0 384.657 3.812 20 10 GHCDRN C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1cc(Br)ccc1O ZINC000804733719 883313833 /nfs/dbraw/zinc/31/38/33/883313833.db2.gz YEACNEIPONBBHD-LBPRGKRZSA-N 0 0 390.277 3.727 20 10 GHCDRN Cc1cccc(OCCC(=O)NCc2cc(Br)ccc2O)c1C ZINC000804733483 883315312 /nfs/dbraw/zinc/31/53/12/883315312.db2.gz QQYSULJOSHVBJO-UHFFFAOYSA-N 0 0 378.266 3.857 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)c1ccc([N+](=O)[O-])cc1Cl ZINC000804735287 883317179 /nfs/dbraw/zinc/31/71/79/883317179.db2.gz SXHGLRRALKSFAH-UHFFFAOYSA-N 0 0 385.601 3.646 20 10 GHCDRN C[C@H](Oc1ccc(F)c(F)c1)C(=O)NCc1cc(Br)ccc1O ZINC000804735820 883318879 /nfs/dbraw/zinc/31/88/79/883318879.db2.gz GCFFVXCLKCAKQY-VIFPVBQESA-N 0 0 386.192 3.517 20 10 GHCDRN CCOc1ccc(CCC(=O)NCc2cc(Br)ccc2O)cc1 ZINC000804737022 883320488 /nfs/dbraw/zinc/32/04/88/883320488.db2.gz AKOVCBRVUJJCDX-UHFFFAOYSA-N 0 0 378.266 3.802 20 10 GHCDRN Cc1nn(C(C)(C)C)c(C)c1C(=O)NCc1cc(Br)ccc1O ZINC000804737977 883322296 /nfs/dbraw/zinc/32/22/96/883322296.db2.gz XSWBLDRMEITOLB-UHFFFAOYSA-N 0 0 380.286 3.653 20 10 GHCDRN C[C@@H](NC(=O)c1cccc(OC(C)(C)C)n1)c1ccc(N2CCOCC2)cc1 ZINC000858785690 883355954 /nfs/dbraw/zinc/35/59/54/883355954.db2.gz KBMSMDQYIKVEBU-MRXNPFEDSA-N 0 0 383.492 3.587 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](C)COCC(F)(F)F)c1 ZINC000858831303 883386783 /nfs/dbraw/zinc/38/67/83/883386783.db2.gz PQMAXKAVYFWELQ-LBPRGKRZSA-N 0 0 382.382 3.604 20 10 GHCDRN CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001129973612 883397253 /nfs/dbraw/zinc/39/72/53/883397253.db2.gz KFJPXHICIVUHFJ-DLBZAZTESA-N 0 0 391.556 3.754 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3nc4ccccc4cc3C)C2)cc1 ZINC001129993313 883439219 /nfs/dbraw/zinc/43/92/19/883439219.db2.gz OTKAPRIYVDLSNV-QGZVFWFLSA-N 0 0 375.472 3.808 20 10 GHCDRN CCCC(=O)NC1CCN(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000858907698 883446825 /nfs/dbraw/zinc/44/68/25/883446825.db2.gz FFOMWYZOFQWCJT-UHFFFAOYSA-N 0 0 396.535 3.684 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H](F)CC1CCCCC1 ZINC001275224739 912710775 /nfs/dbraw/zinc/71/07/75/912710775.db2.gz WSQMIMNLFBGNOE-SFHVURJKSA-N 0 0 384.442 3.726 20 10 GHCDRN CC(C)CC[C@H](C)NC(=O)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000774665905 912716047 /nfs/dbraw/zinc/71/60/47/912716047.db2.gz XQEABEZZVHXLAS-SFHVURJKSA-N 0 0 399.535 3.815 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CCC4(CCC4)CC3)cc2F)C[C@H](C)O1 ZINC000804968937 883515650 /nfs/dbraw/zinc/51/56/50/883515650.db2.gz KNTULRMSLITDPR-CALCHBBNSA-N 0 0 389.515 3.915 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@H]3c3ccccc3)cc2)CC1 ZINC000805022883 883537998 /nfs/dbraw/zinc/53/79/98/883537998.db2.gz HDCVYRYSNBAJNL-QFIPXVFZSA-N 0 0 391.515 3.513 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNS(=O)(=O)CCCCF)cc2Cl)C1 ZINC000805090760 883604311 /nfs/dbraw/zinc/60/43/11/883604311.db2.gz SWQRFGLYTLRCMS-AWEZNQCLSA-N 0 0 376.925 3.745 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)c1 ZINC000116565760 883618022 /nfs/dbraw/zinc/61/80/22/883618022.db2.gz INMZDMNRCFRVEC-GDBMZVCRSA-N 0 0 387.455 3.569 20 10 GHCDRN C/C=C\C[C@H]1CCCN(C(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000859270323 883709036 /nfs/dbraw/zinc/70/90/36/883709036.db2.gz PCCHUVZPSOTFQJ-KVLZDYKBSA-N 0 0 396.487 3.719 20 10 GHCDRN CC(C)O[C@@H]1C[C@@H](NC(=O)NCc2cc(Br)ccc2O)C1(C)C ZINC000805290822 883745266 /nfs/dbraw/zinc/74/52/66/883745266.db2.gz PPNSHVIZWFKNRE-HUUCEWRRSA-N 0 0 385.302 3.546 20 10 GHCDRN C[C@@H](NC(=O)N1CCCN(c2ccccc2F)CC1)c1ccc(N(C)C)cc1 ZINC000805311357 883778907 /nfs/dbraw/zinc/77/89/07/883778907.db2.gz ZZJAFGUZQFVHEG-QGZVFWFLSA-N 0 0 384.499 3.875 20 10 GHCDRN C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC000175450018 883809646 /nfs/dbraw/zinc/80/96/46/883809646.db2.gz SRJBRIKNGZOYMM-QWHCGFSZSA-N 0 0 392.411 3.631 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC(c3cn[nH]c3)CC2)cc1 ZINC000859459880 883826651 /nfs/dbraw/zinc/82/66/51/883826651.db2.gz IQIXFFBNMMNLSZ-UHFFFAOYSA-N 0 0 390.487 3.578 20 10 GHCDRN O=C(Nc1cccc(N2CCCCCC2)c1)c1ccc(Cn2ccnn2)cc1 ZINC000859537912 883880841 /nfs/dbraw/zinc/88/08/41/883880841.db2.gz SAFPXQRIDHJADK-UHFFFAOYSA-N 0 0 375.476 3.959 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000914505797 883899517 /nfs/dbraw/zinc/89/95/17/883899517.db2.gz RKKGQSLNNIVTRL-SFHVURJKSA-N 0 0 397.494 3.682 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCCNC(=O)c1ccsc1 ZINC000914506099 883900501 /nfs/dbraw/zinc/90/05/01/883900501.db2.gz WWOKDKALESROSG-UHFFFAOYSA-N 0 0 387.549 3.761 20 10 GHCDRN Cc1cc(C(=O)COC(=O)COCc2cccnc2)c(C)n1-c1cccc(C)c1 ZINC000805644670 883969763 /nfs/dbraw/zinc/96/97/63/883969763.db2.gz POGNBJADTSZDLK-UHFFFAOYSA-N 0 0 392.455 3.740 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(SC(F)(F)F)nc1 ZINC000859725874 884014492 /nfs/dbraw/zinc/01/44/92/884014492.db2.gz AGSIECLPPXBZMB-UHFFFAOYSA-N 0 0 383.395 3.799 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000859726482 884015783 /nfs/dbraw/zinc/01/57/83/884015783.db2.gz FIMMATOLXNCQEC-UHFFFAOYSA-N 0 0 398.463 3.534 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(C(F)F)c1F ZINC000859733905 884021232 /nfs/dbraw/zinc/02/12/32/884021232.db2.gz DBBOXUNQFCWEFD-UHFFFAOYSA-N 0 0 396.384 3.794 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@@H](CNC(N)=O)C2)c(C)n1-c1cccc(C(C)C)c1 ZINC000918592411 884024309 /nfs/dbraw/zinc/02/43/09/884024309.db2.gz ODQJFHIVJONBRZ-SFHVURJKSA-N 0 0 396.535 3.738 20 10 GHCDRN CCO[C@H](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C(C)C ZINC000760382985 884024353 /nfs/dbraw/zinc/02/43/53/884024353.db2.gz WHFNGFMHBWJCLR-JXXFODFXSA-N 0 0 380.504 3.507 20 10 GHCDRN COCCC1(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCCC1 ZINC000760382552 884025010 /nfs/dbraw/zinc/02/50/10/884025010.db2.gz PVPCCZJNUVDICA-IAGOWNOFSA-N 0 0 392.515 3.652 20 10 GHCDRN CC[C@@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1=O ZINC001275237796 912787112 /nfs/dbraw/zinc/78/71/12/912787112.db2.gz ZXOPWXCGUSSHGA-CWTRNNRKSA-N 0 0 399.318 3.839 20 10 GHCDRN Cc1cc(-c2noc([C@@H](C)NC(=O)NCc3ccc(N(C)C)cc3)n2)ccc1F ZINC000760487644 884157740 /nfs/dbraw/zinc/15/77/40/884157740.db2.gz QYFQIEBCMPKGJA-CQSZACIVSA-N 0 0 397.454 3.811 20 10 GHCDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000154790623 884189472 /nfs/dbraw/zinc/18/94/72/884189472.db2.gz MUSCHNQYQOFKPF-CYBMUJFWSA-N 0 0 375.492 3.712 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC(c3c[nH]cn3)CC2)cc1 ZINC000859945823 884195290 /nfs/dbraw/zinc/19/52/90/884195290.db2.gz TUAUDZCOZMDIRF-UHFFFAOYSA-N 0 0 390.487 3.578 20 10 GHCDRN CCC(=O)Nc1ccc(C)c(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000054412278 884229768 /nfs/dbraw/zinc/22/97/68/884229768.db2.gz DFBOMVWJOLFGJH-UHFFFAOYSA-N 0 0 396.491 3.502 20 10 GHCDRN Cc1cc(C(=O)O[C@H](C)C(=O)NCc2ccccn2)c(C)n1-c1ccccc1C ZINC000805959627 884253994 /nfs/dbraw/zinc/25/39/94/884253994.db2.gz GGWDVVZJFLYQIL-GOSISDBHSA-N 0 0 391.471 3.659 20 10 GHCDRN C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nccn1-c1ccccc1 ZINC000806059170 884304817 /nfs/dbraw/zinc/30/48/17/884304817.db2.gz BDKGYZRKXJBURU-KRWDZBQOSA-N 0 0 377.492 3.841 20 10 GHCDRN Nc1ccc(CCNC(=O)N2CC(OCc3cccc4ccccc43)C2)cc1 ZINC000841956527 884319487 /nfs/dbraw/zinc/31/94/87/884319487.db2.gz BWZNPWGIMRDMCT-UHFFFAOYSA-N 0 0 375.472 3.575 20 10 GHCDRN Cc1cc(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c(C)n1-c1ccccn1 ZINC000914613791 884351718 /nfs/dbraw/zinc/35/17/18/884351718.db2.gz KQLVOBXAXXTBKP-SIXWZSSISA-N 0 0 383.492 3.587 20 10 GHCDRN CC[C@H]([NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1)c1cccc(Cl)c1[O-] ZINC000806134586 884355988 /nfs/dbraw/zinc/35/59/88/884355988.db2.gz LQDMHLCEWYUTLE-IBGZPJMESA-N 0 0 388.895 3.759 20 10 GHCDRN CC[C@H]([NH2+][C@H](C)CN1CCN(c2ccccn2)CC1)c1cccc(Cl)c1[O-] ZINC000806140307 884399516 /nfs/dbraw/zinc/39/95/16/884399516.db2.gz JFIUAPBWXDFWHU-APWZRJJASA-N 0 0 388.943 3.692 20 10 GHCDRN CC[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000806147574 884406405 /nfs/dbraw/zinc/40/64/05/884406405.db2.gz KVKFDPXZQRXHFN-HUUCEWRRSA-N 0 0 397.306 3.669 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)Cc2cccc3ccc(OC)cc32)cc1 ZINC001130544259 884422307 /nfs/dbraw/zinc/42/23/07/884422307.db2.gz LNUJBTNDFWNVNL-UHFFFAOYSA-N 0 0 392.499 3.994 20 10 GHCDRN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000154835638 884443801 /nfs/dbraw/zinc/44/38/01/884443801.db2.gz WEQPKIYLVMBDOF-UHFFFAOYSA-N 0 0 398.482 3.758 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)c2cc(=O)[nH]c3c(F)cc(C)cc23)cc1 ZINC001130543904 884462475 /nfs/dbraw/zinc/46/24/75/884462475.db2.gz GXATWXOTPIPMJH-UHFFFAOYSA-N 0 0 397.450 3.605 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@H](C)NC(=O)C(C)(C)C)c(C)n1-c1ccccc1C ZINC000918888961 884520440 /nfs/dbraw/zinc/52/04/40/884520440.db2.gz CNTFZDYOYBRUBX-INIZCTEOSA-N 0 0 398.503 3.679 20 10 GHCDRN CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+](Cc3cc(F)c(F)cc3[O-])C1)C2 ZINC001142527154 884539118 /nfs/dbraw/zinc/53/91/18/884539118.db2.gz MHNSPBOVVGHADL-OPAMFIHVSA-N 0 0 387.426 3.766 20 10 GHCDRN COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142527468 884543125 /nfs/dbraw/zinc/54/31/25/884543125.db2.gz VWKHZDNZRAPTBY-AZUAARDMSA-N 0 0 375.415 3.982 20 10 GHCDRN Cn1c(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])nc2ccccc21 ZINC000806328526 884594487 /nfs/dbraw/zinc/59/44/87/884594487.db2.gz 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884725319 /nfs/dbraw/zinc/72/53/19/884725319.db2.gz AUVAFXAIYBRTTA-UHFFFAOYSA-N 0 0 399.457 3.506 20 10 GHCDRN C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000806498069 884743493 /nfs/dbraw/zinc/74/34/93/884743493.db2.gz WKDUBHPLLMCORC-INIZCTEOSA-N 0 0 396.318 3.671 20 10 GHCDRN C[C@H](NC(=O)C[C@H]1CCOc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000117631444 884840274 /nfs/dbraw/zinc/84/02/74/884840274.db2.gz ATCQHOGUEZDZHP-PKOBYXMFSA-N 0 0 380.488 3.657 20 10 GHCDRN CC[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccc(OC)c(OC)c1 ZINC000806635948 884889026 /nfs/dbraw/zinc/88/90/26/884889026.db2.gz XRLIIOLSQAJSAE-KRWDZBQOSA-N 0 0 389.471 3.859 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N3CCOc4cc(O)ccc4C3)cc2)CC1 ZINC000806766425 884960318 /nfs/dbraw/zinc/96/03/18/884960318.db2.gz VKUQRBFXJANZBE-UHFFFAOYSA-N 0 0 395.503 3.733 20 10 GHCDRN Cc1cc(C(=O)CN2CC[C@@H](O)[C@@H](C)C2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000249542557 912885286 /nfs/dbraw/zinc/88/52/86/912885286.db2.gz FIRPYEFQURKNPJ-ORAYPTAESA-N 0 0 392.446 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C[C@@H]1CN(Cc2ccccc2NC(=O)N(C)Cc2ccccc2O)C[C@H](C)O1 ZINC000047570136 902156804 /nfs/dbraw/zinc/15/68/04/902156804.db2.gz JIQBEEFTKZQEMC-CALCHBBNSA-N 0 0 383.492 3.665 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000801548056 921120878 /nfs/dbraw/zinc/12/08/78/921120878.db2.gz KZCDEVQJLTVJAY-KRWDZBQOSA-N 0 0 388.508 3.778 20 10 GHCDRN CSc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1F ZINC000125369556 902205444 /nfs/dbraw/zinc/20/54/44/902205444.db2.gz ONAAUCWZQDKWCX-UHFFFAOYSA-N 0 0 392.471 3.578 20 10 GHCDRN CCOc1cccc(CNc2cccc(CS(=O)(=O)N[C@@H](C)CC)c2)c1O ZINC000125603289 902229389 /nfs/dbraw/zinc/22/93/89/902229389.db2.gz VYDXXKSHRXKBFE-HNNXBMFYSA-N 0 0 392.521 3.621 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3nscc3Br)C2)cc1 ZINC000845610252 902291547 /nfs/dbraw/zinc/29/15/47/902291547.db2.gz BJCDOGGVHNDHLF-NSHDSACASA-N 0 0 397.294 3.598 20 10 GHCDRN CC(C)N(C(C)C)S(=O)(=O)c1ccc(NCc2cc(Cl)ccc2O)nc1 ZINC000845704665 902330554 /nfs/dbraw/zinc/33/05/54/902330554.db2.gz HQMNSCFSMSFONG-UHFFFAOYSA-N 0 0 397.928 3.860 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)c1noc(-c2cccc(OC)c2)n1 ZINC000801548025 921121008 /nfs/dbraw/zinc/12/10/08/921121008.db2.gz JLTKUVAXCCSWNL-UHFFFAOYSA-N 0 0 381.432 3.893 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N(Cc1ccccc1F)C1CC1 ZINC000263872450 902632518 /nfs/dbraw/zinc/63/25/18/902632518.db2.gz LBXNWMGTXDGAJC-UHFFFAOYSA-N 0 0 383.467 3.537 20 10 GHCDRN C[C@H](CO)C1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000846122953 902698553 /nfs/dbraw/zinc/69/85/53/902698553.db2.gz QXFJIWSSMFJDLH-MRXNPFEDSA-N 0 0 394.475 3.908 20 10 GHCDRN CC(C)(C)C(=O)c1ccc(NC(=O)C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC000846122339 902699295 /nfs/dbraw/zinc/69/92/95/902699295.db2.gz UQTORIOUDMKELA-UHFFFAOYSA-N 0 0 388.851 3.529 20 10 GHCDRN COc1cc(OC)cc([C@H](N[C@@H](C)c2ccc(N(C)C)cc2)c2nccn2C)c1 ZINC000128905111 902732404 /nfs/dbraw/zinc/73/24/04/902732404.db2.gz VZKHNEZNZZLAOL-AOMKIAJQSA-N 0 0 394.519 3.944 20 10 GHCDRN COC(=O)c1c(F)ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)c1F ZINC000290399587 914665508 /nfs/dbraw/zinc/66/55/08/914665508.db2.gz HSMNHDUQPGMYHW-UHFFFAOYSA-N 0 0 389.402 3.673 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)c2cccnc2SC(F)F)cc1 ZINC000846447079 902977672 /nfs/dbraw/zinc/97/76/72/902977672.db2.gz QFLUOEUYPXYQFI-UHFFFAOYSA-N 0 0 381.448 3.613 20 10 GHCDRN CC(=O)CCc1ccc(OCCC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC000846472803 903001664 /nfs/dbraw/zinc/00/16/64/903001664.db2.gz MWLHKVDDZDSHKI-UHFFFAOYSA-N 0 0 375.852 3.653 20 10 GHCDRN Cc1nn(C)c2nc(C)c(CCC(=O)NCc3cc(Cl)ccc3O)c(C)c12 ZINC000846478217 903004147 /nfs/dbraw/zinc/00/41/47/903004147.db2.gz ABWCCCLNASGYRH-UHFFFAOYSA-N 0 0 386.883 3.502 20 10 GHCDRN COC(=O)c1coc(CNC(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)n1 ZINC000846479596 903006223 /nfs/dbraw/zinc/00/62/23/903006223.db2.gz MWZADVXZRCYPKJ-UHFFFAOYSA-N 0 0 395.459 3.922 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(F)c(C(=O)OC)c1F ZINC000290428562 914677061 /nfs/dbraw/zinc/67/70/61/914677061.db2.gz KBAOVLZGPJLHGZ-UHFFFAOYSA-N 0 0 378.375 3.901 20 10 GHCDRN CC(C)(C)OC(=O)[C@](C)(CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000846489993 903020911 /nfs/dbraw/zinc/02/09/11/903020911.db2.gz RAMUMQOEIRADBO-ABSORMQESA-N 0 0 397.471 3.527 20 10 GHCDRN COc1c([O-])c(C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)ccc1[N+](=O)[O-] ZINC000775037936 914682205 /nfs/dbraw/zinc/68/22/05/914682205.db2.gz OVPNFLNTIBKRNQ-UHFFFAOYSA-N 0 0 396.447 3.908 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@H]3COC(=O)N[C@@H]3C2)c(C)n1-c1cccc(C(C)C)c1 ZINC001144927404 903188120 /nfs/dbraw/zinc/18/81/20/903188120.db2.gz SKPSLJUVCTYXCG-GHTZIAJQSA-N 0 0 395.503 3.788 20 10 GHCDRN CCN(CC)c1ccc(CNc2ccc(C(=O)NCCO)c(Cl)c2)cc1 ZINC000290511733 914711544 /nfs/dbraw/zinc/71/15/44/914711544.db2.gz ASVGKIJNHGXVQF-UHFFFAOYSA-N 0 0 375.900 3.520 20 10 GHCDRN Cc1ccc([C@@H](NCC(=O)N(C)Cc2ccc(N(C)C)cc2)C(F)(F)F)o1 ZINC000847059968 903437954 /nfs/dbraw/zinc/43/79/54/903437954.db2.gz IEHQSYLIAAVXSD-GOSISDBHSA-N 0 0 383.414 3.506 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cccc(NC(=O)C2CC2)c1 ZINC000133973874 903450781 /nfs/dbraw/zinc/45/07/81/903450781.db2.gz URSVKHTYRWDJEZ-UHFFFAOYSA-N 0 0 376.460 3.733 20 10 GHCDRN NC(=O)N=Nc1ccc(C(=O)NCCCc2cccc(Br)c2)cc1 ZINC001146467696 903537955 /nfs/dbraw/zinc/53/79/55/903537955.db2.gz DIMDEFNECHXZFN-UHFFFAOYSA-N 0 0 389.253 3.974 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC=C(c2cnn(C)c2)C1 ZINC001146863941 903618319 /nfs/dbraw/zinc/61/83/19/903618319.db2.gz DZIOUFBCZIUNQR-UHFFFAOYSA-N 0 0 388.471 3.570 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)CSc3ccc(F)cc3)C2)cc1 ZINC001146951370 903647078 /nfs/dbraw/zinc/64/70/78/903647078.db2.gz REEDSVRBRZYQPH-RDJZCZTQSA-N 0 0 388.508 3.958 20 10 GHCDRN CCN(Cc1csc(N(C(C)=O)C2CC2)n1)c1ccc(OC)c(OC)c1 ZINC000265156515 903671306 /nfs/dbraw/zinc/67/13/06/903671306.db2.gz UTNXNZDUXQZFKY-UHFFFAOYSA-N 0 0 375.494 3.702 20 10 GHCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCCC[C@@H]1c1nccs1 ZINC000265230261 903738460 /nfs/dbraw/zinc/73/84/60/903738460.db2.gz OKCUOAOPIINCMH-MBNRZODZSA-N 0 0 383.517 3.747 20 10 GHCDRN C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1cc(Br)cc(Br)c1[O-] ZINC000779063637 903749843 /nfs/dbraw/zinc/74/98/43/903749843.db2.gz HIVQBYDUOXMETO-CQFDHEJISA-N 0 0 393.119 3.727 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)Nc2cccc(C)c2C(N)=O)ccc1C ZINC001147424837 903778291 /nfs/dbraw/zinc/77/82/91/903778291.db2.gz PVMQGVGAIJMLDU-UHFFFAOYSA-N 0 0 389.455 3.875 20 10 GHCDRN Cc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCCC2=O)c(C)n1-c1ccccc1C ZINC000779077000 903967481 /nfs/dbraw/zinc/96/74/81/903967481.db2.gz FAOIQWYMCGPCAK-WIYYLYMNSA-N 0 0 380.488 3.613 20 10 GHCDRN Cc1cc(NS(=O)(=O)c2cc(F)c(F)cc2Br)c(C)cc1O ZINC001186718829 914773441 /nfs/dbraw/zinc/77/34/41/914773441.db2.gz VDWBKSWKHWHRHV-UHFFFAOYSA-N 0 0 392.221 3.851 20 10 GHCDRN O=C(c1ccncc1Br)N(Cc1ccco1)Cc1ccccc1O ZINC000159784075 904098820 /nfs/dbraw/zinc/09/88/20/904098820.db2.gz OVMHMLDCURGYDH-UHFFFAOYSA-N 0 0 387.233 3.985 20 10 GHCDRN O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2C[C@@]2(c2ccc(Cl)c(Cl)c2)C1 ZINC001148588602 904129220 /nfs/dbraw/zinc/12/92/20/904129220.db2.gz WMUBFRHRZZHOMX-ZMZPIMSZSA-N 0 0 380.227 3.524 20 10 GHCDRN CC(C)CCn1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000159814387 904150870 /nfs/dbraw/zinc/15/08/70/904150870.db2.gz PIJYFZCGFAHLQV-SFHVURJKSA-N 0 0 386.496 3.848 20 10 GHCDRN Cc1ccc(-n2cnnc2SCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000772993051 904157420 /nfs/dbraw/zinc/15/74/20/904157420.db2.gz FPQVAXVDCXXLRE-INIZCTEOSA-N 0 0 395.532 3.611 20 10 GHCDRN C[C@H](Sc1nccs1)C(=O)Nc1ccc(I)cc1 ZINC000048875635 904249609 /nfs/dbraw/zinc/24/96/09/904249609.db2.gz FRQJCCFQALBEMH-QMMMGPOBSA-N 0 0 390.271 3.867 20 10 GHCDRN C[C@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1)c1ccc(N(C)C)cc1 ZINC000773008286 904363673 /nfs/dbraw/zinc/36/36/73/904363673.db2.gz NIANFSLTRUTEKF-KSSFIOAISA-N 0 0 375.513 3.623 20 10 GHCDRN CSc1ccc(N2C[C@H](C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2=O)cc1 ZINC000773010511 904365434 /nfs/dbraw/zinc/36/54/34/904365434.db2.gz BAPHCEDCWPOXMD-DOTOQJQBSA-N 0 0 397.544 3.705 20 10 GHCDRN C[C@H](N[C@@H](CO)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000773011525 904367551 /nfs/dbraw/zinc/36/75/51/904367551.db2.gz UUYGPETUJMXMBD-XOBRGWDASA-N 0 0 378.875 3.700 20 10 GHCDRN CCCn1c2ccccc2n(CCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1=O ZINC000773016804 904377872 /nfs/dbraw/zinc/37/78/72/904377872.db2.gz BKLSTMUAKWTOOY-KRWDZBQOSA-N 0 0 394.519 3.547 20 10 GHCDRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773020518 904379770 /nfs/dbraw/zinc/37/97/70/904379770.db2.gz OVMATNOSNAMZGV-UWJYYQICSA-N 0 0 397.519 3.881 20 10 GHCDRN C[C@@H](NC(=O)[C@@H]1COc2ccc(Br)cc21)c1ccc(N(C)C)cc1 ZINC000773021693 904381069 /nfs/dbraw/zinc/38/10/69/904381069.db2.gz BBBJEZQPEFVVIA-SJKOYZFVSA-N 0 0 389.293 3.869 20 10 GHCDRN CC1CCN(c2cccc(NC(=O)c3ccc(CS(C)(=O)=O)cc3)c2)CC1 ZINC000153796176 904398948 /nfs/dbraw/zinc/39/89/48/904398948.db2.gz CXSSIKAJVWSTIW-UHFFFAOYSA-N 0 0 386.517 3.720 20 10 GHCDRN Cc1ncccc1/C=C\C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000826604114 904419215 /nfs/dbraw/zinc/41/92/15/904419215.db2.gz MUTYRJNZRPOAHU-ACAQERRYSA-N 0 0 387.430 3.790 20 10 GHCDRN Cc1cc(Cl)c(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000773086577 904420884 /nfs/dbraw/zinc/42/08/84/904420884.db2.gz DEMMWXIEKXBFBL-LBPRGKRZSA-N 0 0 397.884 3.662 20 10 GHCDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773084951 904421128 /nfs/dbraw/zinc/42/11/28/904421128.db2.gz VFXPPEGORJNHDF-GFCCVEGCSA-N 0 0 397.884 3.662 20 10 GHCDRN CC(C)(C)OC(=O)NCCc1ccccc1C(=O)N1CC[C@H](O)c2ccccc21 ZINC000889267617 904517860 /nfs/dbraw/zinc/51/78/60/904517860.db2.gz FQLMPVWFYOFQLB-FQEVSTJZSA-N 0 0 396.487 3.838 20 10 GHCDRN COC(=O)c1cc([N+](=O)[O-])c(NCc2cc3ccccc3cc2O)cc1OC ZINC001171407150 904521984 /nfs/dbraw/zinc/52/19/84/904521984.db2.gz LNBLXTOUOQUWPK-UHFFFAOYSA-N 0 0 382.372 3.861 20 10 GHCDRN CCCCOC(=O)[C@H]1CCN(C(=O)c2cc(-n3c(C)ccc3C)ccc2O)C1 ZINC001186848066 914821012 /nfs/dbraw/zinc/82/10/12/914821012.db2.gz CMXGSQRRWVQVJN-KRWDZBQOSA-N 0 0 384.476 3.605 20 10 GHCDRN C[C@@H](NC(=O)NCC1(c2ccccc2)CCOCC1)c1ccc(N(C)C)cc1 ZINC000773238300 904603059 /nfs/dbraw/zinc/60/30/59/904603059.db2.gz TUNZHYTZJWMZRL-GOSISDBHSA-N 0 0 381.520 3.861 20 10 GHCDRN COc1cnc([C@@H]2CCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]c1=O ZINC000889794806 904768850 /nfs/dbraw/zinc/76/88/50/904768850.db2.gz ADIUSLJUTHPWIP-SFHVURJKSA-N 0 0 392.459 3.576 20 10 GHCDRN Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)c1cccc(O)c1O ZINC000188225279 904894002 /nfs/dbraw/zinc/89/40/02/904894002.db2.gz YSTDMZNERFQCJA-OKILXGFUSA-N 0 0 382.460 3.777 20 10 GHCDRN COc1ccc(-c2nc(CC(=O)N[C@@H](C)c3ccccc3O)cs2)cc1OC ZINC001171730273 904957336 /nfs/dbraw/zinc/95/73/36/904957336.db2.gz NADVADWCAHDEDW-ZDUSSCGKSA-N 0 0 398.484 3.953 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1csc2ccccc12 ZINC000779163160 905028969 /nfs/dbraw/zinc/02/89/69/905028969.db2.gz WQTRMLFKFUAKJW-UHFFFAOYSA-N 0 0 380.469 3.741 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@H]2CCC23CCOCC3)c1 ZINC001171835174 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COCC1(O)CCN(C(=O)c2ccccc2/N=N/c2ccc(N(C)C)cc2)CC1 ZINC000270790038 910702185 /nfs/dbraw/zinc/70/21/85/910702185.db2.gz UBSDTTLMUUTMEQ-WCWDXBQESA-N 0 0 396.491 3.782 20 10 GHCDRN Nc1ccc(N(Cc2ccccc2)C(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)cc1 ZINC001181450662 910770183 /nfs/dbraw/zinc/77/01/83/910770183.db2.gz AQXGLJUPFQNWDD-QHCPKHFHSA-N 0 0 399.494 3.993 20 10 GHCDRN CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC001181590752 910850618 /nfs/dbraw/zinc/85/06/18/910850618.db2.gz PIOZRNSPACEGIP-OAHLLOKOSA-N 0 0 399.329 3.906 20 10 GHCDRN COCCCOCCN(C)C(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000271591786 910974126 /nfs/dbraw/zinc/97/41/26/910974126.db2.gz GOOCRKNKYGVYPQ-WCWDXBQESA-N 0 0 398.463 3.552 20 10 GHCDRN Cc1nc2c(cccc2C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)[nH]1 ZINC000801928525 921638549 /nfs/dbraw/zinc/63/85/49/921638549.db2.gz UWZPJJBHVBGADO-MRXNPFEDSA-N 0 0 398.894 3.625 20 10 GHCDRN CC1(C)[C@@]2(C)CC[C@]1(C(=O)N(Cc1ccccc1)c1ccc(N)cc1)OC2=O ZINC001182153330 911212074 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CCCCN(Cc1ccccc1O)C(=O)NC1CCN(C(=O)CC(C)C)CC1 ZINC000283708755 911621595 /nfs/dbraw/zinc/62/15/95/911621595.db2.gz SKAQOXJMYPKDNW-UHFFFAOYSA-N 0 0 389.540 3.741 20 10 GHCDRN C[C@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000774314595 911643133 /nfs/dbraw/zinc/64/31/33/911643133.db2.gz ARNCGMYRRJBZDK-SFHVURJKSA-N 0 0 379.504 3.513 20 10 GHCDRN CCc1cnccc1[C@H](C)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000774327174 911654933 /nfs/dbraw/zinc/65/49/33/911654933.db2.gz BHPCUOYAIPUUFB-LPHOPBHVSA-N 0 0 383.492 3.801 20 10 GHCDRN C[C@@H](c1ccccc1)N(C)C(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000774354771 911699326 /nfs/dbraw/zinc/69/93/26/911699326.db2.gz MCJOUGLDZPTTQW-IBGZPJMESA-N 0 0 393.531 3.855 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(Cl)c(F)c1N1CCOCC1 ZINC000284514286 911904182 /nfs/dbraw/zinc/90/41/82/911904182.db2.gz VWZGZGOVEBHSJQ-UHFFFAOYSA-N 0 0 393.846 3.685 20 10 GHCDRN O=C(Cc1ccc(-c2ccccc2)c(F)c1)NCCc1cc(O)c(O)cc1O ZINC001182690454 911972885 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CCOCc1nc([C@@H](C)NCc2ccc(OCc3ccccc3)cc2O)no1 ZINC000291582162 915260934 /nfs/dbraw/zinc/26/09/34/915260934.db2.gz PADJHMRRWFENIY-OAHLLOKOSA-N 0 0 383.448 3.742 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N1CCC(F)(F)CC1 ZINC001187494932 915315795 /nfs/dbraw/zinc/31/57/95/915315795.db2.gz DCFYIXPIGIJYDI-UHFFFAOYSA-N 0 0 377.229 3.828 20 10 GHCDRN Cc1cc(-c2nnc(N(C)Cc3ccccc3O)n2C[C@H]2CCOC2)c(C)o1 ZINC000291694115 915321186 /nfs/dbraw/zinc/32/11/86/915321186.db2.gz BSECPLGKJQLBAL-MRXNPFEDSA-N 0 0 382.464 3.533 20 10 GHCDRN CCOc1ccc(O)c(CNc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)c1 ZINC000796384425 915363476 /nfs/dbraw/zinc/36/34/76/915363476.db2.gz VSOGYVPFVPJUPF-UHFFFAOYSA-N 0 0 392.521 3.742 20 10 GHCDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC[C@@H](O)Cc1ccccc1F ZINC001187625402 915393716 /nfs/dbraw/zinc/39/37/16/915393716.db2.gz UCGHWAAWPLFQPT-SFHVURJKSA-N 0 0 394.402 3.980 20 10 GHCDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC[C@H](O)Cc1ccccc1F ZINC001187625401 915393951 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O=C(NCc1cc(Cl)c2cccnc2c1O)c1ccc(-c2cncnc2)cc1 ZINC001188537844 916040314 /nfs/dbraw/zinc/04/03/14/916040314.db2.gz ABWGUYYSKXPVQM-UHFFFAOYSA-N 0 0 390.830 3.981 20 10 GHCDRN CC[C@]1(C(C)C)NC(=O)N(CC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1=O ZINC001188761571 916187625 /nfs/dbraw/zinc/18/76/25/916187625.db2.gz XYXCLSKNVPSTDQ-HSZRJFAPSA-N 0 0 395.503 3.942 20 10 GHCDRN CCC[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccccc1 ZINC000775197043 916199648 /nfs/dbraw/zinc/19/96/48/916199648.db2.gz XLCQBUUGRNJAPA-JOCHJYFZSA-N 0 0 393.531 3.901 20 10 GHCDRN CCC[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccccc1 ZINC000775197046 916200337 /nfs/dbraw/zinc/20/03/37/916200337.db2.gz XLCQBUUGRNJAPA-QFIPXVFZSA-N 0 0 393.531 3.901 20 10 GHCDRN CC(C)(C)NS(=O)(=O)c1cccc(NCc2c(O)ccc(Cl)c2F)c1 ZINC000796401553 916487775 /nfs/dbraw/zinc/48/77/75/916487775.db2.gz HWWBCLUSTRHVET-UHFFFAOYSA-N 0 0 386.876 3.874 20 10 GHCDRN CN(C)c1ccc(CNc2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1F ZINC000796403849 916532681 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CCN(CC)c1ccc(/N=N/c2ccccc2C(=O)N2CCN(C)C(=O)C2)cc1 ZINC001189714383 916857635 /nfs/dbraw/zinc/85/76/35/916857635.db2.gz QRLCFIGZTKTCET-WCWDXBQESA-N 0 0 393.491 3.862 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000294932345 917057371 /nfs/dbraw/zinc/05/73/71/917057371.db2.gz WYAJXETZQRSPDQ-GOSISDBHSA-N 0 0 385.533 3.532 20 10 GHCDRN COCCN(Cc1cnc(Br)s1)c1ccc(OC)c(OC)c1 ZINC000294933255 917057479 /nfs/dbraw/zinc/05/74/79/917057479.db2.gz KVFQXQHYXFRYEC-UHFFFAOYSA-N 0 0 387.299 3.576 20 10 GHCDRN COc1ccc2c(c1)c1c(n2Cc2nc(C3CCN(OC)CC3)no2)CCCC1 ZINC000650625321 917182437 /nfs/dbraw/zinc/18/24/37/917182437.db2.gz QARHYZFTLKNKGC-UHFFFAOYSA-N 0 0 396.491 3.701 20 10 GHCDRN O=C(NCC(=O)c1ccc(O)c(O)c1)Nc1ccc(Oc2ccccc2)cc1 ZINC001190427104 917331883 /nfs/dbraw/zinc/33/18/83/917331883.db2.gz PAHDRSDGCAPLCX-UHFFFAOYSA-N 0 0 378.384 3.895 20 10 GHCDRN C[C@@H](NC(=O)[C@H]1CCCN1c1ncnc2sccc21)c1ccc(N(C)C)cc1 ZINC000775402403 917479830 /nfs/dbraw/zinc/47/98/30/917479830.db2.gz 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Cc1nc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)nc(C)c1CC(C)C ZINC000751112470 928034295 /nfs/dbraw/zinc/03/42/95/928034295.db2.gz YULZLAIHEPHCTF-LJQANCHMSA-N 0 0 395.551 3.606 20 10 GHCDRN O=S(=O)(c1ccc2c(c1)COC2)N(Cc1ccccc1O)C1CCCCC1 ZINC000751137708 928044056 /nfs/dbraw/zinc/04/40/56/928044056.db2.gz VKWQAPCAJLZVDM-UHFFFAOYSA-N 0 0 387.501 3.946 20 10 GHCDRN Cn1cc(N2CC[C@H](Nc3ccc(Cl)cc3C(=O)c3ccccc3)C2=O)cn1 ZINC000751266251 928101452 /nfs/dbraw/zinc/10/14/52/928101452.db2.gz ZGROXVLEUIJYEH-IBGZPJMESA-N 0 0 394.862 3.522 20 10 GHCDRN CC(=O)Nc1ccc(CC(=O)Nc2c(-c3ccccn3)nc3ccccn32)cc1 ZINC000751303131 928117754 /nfs/dbraw/zinc/11/77/54/928117754.db2.gz UJHDGTYYTOLYRX-UHFFFAOYSA-N 0 0 385.427 3.536 20 10 GHCDRN CC(=O)N[C@@H](CC(=O)Nc1c(-c2ccccn2)nc2ccccn21)c1ccccc1 ZINC000751302262 928119142 /nfs/dbraw/zinc/11/91/42/928119142.db2.gz LYQOUIVGOONXNQ-IBGZPJMESA-N 0 0 399.454 3.602 20 10 GHCDRN C[C@]1(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)Cc2ccccc2C(=O)O1 ZINC000751305777 928120722 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Nc1ccc(Cc2nc(C(=O)OCc3nc(-c4cccs4)no3)cs2)cc1 ZINC000751936105 928492961 /nfs/dbraw/zinc/49/29/61/928492961.db2.gz HIUAMJAEAWTQOH-UHFFFAOYSA-N 0 0 398.469 3.785 20 10 GHCDRN COc1ccc(N(C)C[C@@H](O)COc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000752114760 928619890 /nfs/dbraw/zinc/61/98/90/928619890.db2.gz NJVFEWARDLFAPI-CQSZACIVSA-N 0 0 385.382 3.599 20 10 GHCDRN COc1ccc(O)c(CNC(=O)c2cc(C)nc(-c3ccc(Cl)cc3)n2)c1 ZINC000752130895 928630665 /nfs/dbraw/zinc/63/06/65/928630665.db2.gz MIUVHLZLNCUFBO-UHFFFAOYSA-N 0 0 383.835 3.750 20 10 GHCDRN CC(C)C[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000752148406 928640485 /nfs/dbraw/zinc/64/04/85/928640485.db2.gz HAJBZJVXRJVUGZ-CQSZACIVSA-N 0 0 387.446 3.776 20 10 GHCDRN Cc1cc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)nn1[C@H](C)C1CC1 ZINC000752840717 929050536 /nfs/dbraw/zinc/05/05/36/929050536.db2.gz QFXXVQQSLIJKQT-DLBZAZTESA-N 0 0 397.523 3.882 20 10 GHCDRN CO[C@H]1Cc2ccc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2C1 ZINC000752929769 929097404 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C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2cc(C(F)(F)F)ccc2n1C ZINC000753637347 929456013 /nfs/dbraw/zinc/45/60/13/929456013.db2.gz RZWAAIUXXSKDOD-LLVKDONJSA-N 0 0 392.377 3.969 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccc(Br)s3)CC2)cc1F ZINC000753739080 929510104 /nfs/dbraw/zinc/51/01/04/929510104.db2.gz PPNIWWUKURXOLK-UHFFFAOYSA-N 0 0 399.285 3.621 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3cccc4c(C)c(C)[nH]c43)CC2)cc1F ZINC000753738935 929510542 /nfs/dbraw/zinc/51/05/42/929510542.db2.gz NWSUNUHENUVJIO-UHFFFAOYSA-N 0 0 381.451 3.895 20 10 GHCDRN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@]34CCCc3ccccc34)CC2)cc1F ZINC000753738789 929510908 /nfs/dbraw/zinc/51/09/08/929510908.db2.gz LHGZWEXGVJXYLR-RDPSFJRHSA-N 0 0 394.490 3.777 20 10 GHCDRN COc1ccc(N2CCN(C(=O)[C@H]3CCSc4ccccc43)CC2)cc1F ZINC000753742658 929512584 /nfs/dbraw/zinc/51/25/84/929512584.db2.gz VQZSMBVNCPUIEA-KRWDZBQOSA-N 0 0 386.492 3.763 20 10 GHCDRN COc1ccc(N2CCN(CC(=O)Nc3cc(Cl)ccc3C)CC2)cc1F ZINC000753859953 929566612 /nfs/dbraw/zinc/56/66/12/929566612.db2.gz CXPHQUNWBZENHI-UHFFFAOYSA-N 0 0 391.874 3.557 20 10 GHCDRN COc1ccc(N2CCN(Cc3cccc(C(=O)NCC(C)C)c3)CC2)cc1F ZINC000753862420 929568835 /nfs/dbraw/zinc/56/88/35/929568835.db2.gz ZPTAZMRFNCGQOJ-UHFFFAOYSA-N 0 0 399.510 3.542 20 10 GHCDRN C[C@@H](Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)c1cc(Cl)ccc1O ZINC000757627310 929749464 /nfs/dbraw/zinc/74/94/64/929749464.db2.gz FCNOZSKMUAXWCN-GFCCVEGCSA-N 0 0 391.880 3.808 20 10 GHCDRN C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1cc(Br)cc(F)c1[O-] ZINC000757661376 929762721 /nfs/dbraw/zinc/76/27/21/929762721.db2.gz BKYKJFWHFNBODB-IUODEOHRSA-N 0 0 382.273 3.938 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@@H]2CCc3n[nH]cc3C2)c(C)n1-c1cccc(C)c1 ZINC000757810466 929808667 /nfs/dbraw/zinc/80/86/67/929808667.db2.gz BXERGXBGCFIVRS-QGZVFWFLSA-N 0 0 391.471 3.657 20 10 GHCDRN COc1ccc(N(C)CC(=O)NC(=O)Nc2cccc(C)c2C)cc1Cl ZINC000757856247 929827238 /nfs/dbraw/zinc/82/72/38/929827238.db2.gz LBDPWNKTVLGNGQ-UHFFFAOYSA-N 0 0 375.856 3.750 20 10 GHCDRN CCOC(=O)c1ccsc1NC(=O)CN(C)c1ccc(OC)c(Cl)c1 ZINC000757856851 929827921 /nfs/dbraw/zinc/82/79/21/929827921.db2.gz HWTJDEFJJSGTDQ-UHFFFAOYSA-N 0 0 382.869 3.662 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)CC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000758153821 929948974 /nfs/dbraw/zinc/94/89/74/929948974.db2.gz CCUCJTRMJUDVMN-IBGZPJMESA-N 0 0 389.540 3.891 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cccnc1Br ZINC000758175815 929960781 /nfs/dbraw/zinc/96/07/81/929960781.db2.gz JMCIJBKTKAPZIJ-UHFFFAOYSA-N 0 0 376.298 3.961 20 10 GHCDRN C[C@@H]1[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])CCC12CCOCC2 ZINC000758272537 929998416 /nfs/dbraw/zinc/99/84/16/929998416.db2.gz JJLZRQYWQAWSMK-INIZCTEOSA-N 0 0 381.472 3.720 20 10 GHCDRN Cc1ccc(C)c(CN(C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000758395850 930031475 /nfs/dbraw/zinc/03/14/75/930031475.db2.gz CPIWSPGWANPFEP-UHFFFAOYSA-N 0 0 399.510 3.745 20 10 GHCDRN O=C(NCCCSc1nccs1)Nc1ccc(N2CCCCC2)nc1 ZINC000758549873 930079083 /nfs/dbraw/zinc/07/90/83/930079083.db2.gz DFECBORDAUQFMO-UHFFFAOYSA-N 0 0 377.539 3.832 20 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/nfs/dbraw/zinc/41/62/19/930416219.db2.gz BEBDHLWIKJVBQR-IOCXFXADSA-N 0 0 395.333 3.700 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cnn(-c2cccnc2)c1 ZINC000759621458 930430381 /nfs/dbraw/zinc/43/03/81/930430381.db2.gz JJSJDPLOUHKSEJ-UHFFFAOYSA-N 0 0 375.476 3.530 20 10 GHCDRN CCN(CC)c1ccc(CNCc2ncn(Cc3cccc(F)c3)n2)cc1F ZINC000780591987 930555459 /nfs/dbraw/zinc/55/54/59/930555459.db2.gz YOSHEHNKOBJZGN-UHFFFAOYSA-N 0 0 385.462 3.741 20 10 GHCDRN CN(Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2)c1ccc2c(c1)OCO2 ZINC000780778897 930596366 /nfs/dbraw/zinc/59/63/66/930596366.db2.gz XCVOVFVAPFAGNK-UHFFFAOYSA-N 0 0 393.443 3.614 20 10 GHCDRN CCOc1cc(/C=C\C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1O ZINC000780910831 930636774 /nfs/dbraw/zinc/63/67/74/930636774.db2.gz FGDKMZHKNDZHLY-KPFINFFTSA-N 0 0 396.487 3.518 20 10 GHCDRN CCN(CCOc1ccc(Br)cc1)C(=O)c1ccc(C)c(O)c1O ZINC000780950745 930648406 /nfs/dbraw/zinc/64/84/06/930648406.db2.gz OCFZKYXOOOAIOZ-UHFFFAOYSA-N 0 0 394.265 3.710 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C)c2nnc3n2CCCCC3)c1 ZINC000781626156 930913276 /nfs/dbraw/zinc/91/32/76/930913276.db2.gz FMDMOXWCKPCNHF-LBPRGKRZSA-N 0 0 379.302 3.632 20 10 GHCDRN CN(C)c1ccc(CN[C@@H](CCO)c2ccccc2Br)cc1F ZINC000781638128 930919770 /nfs/dbraw/zinc/91/97/70/930919770.db2.gz FFSGJQDLDYTLBB-KRWDZBQOSA-N 0 0 381.289 3.868 20 10 GHCDRN CC(C)(C)OC(=O)NCCCCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000781677499 930936799 /nfs/dbraw/zinc/93/67/99/930936799.db2.gz IEIVGUKLMRIXGR-UHFFFAOYSA-N 0 0 375.513 3.598 20 10 GHCDRN COc1ccccc1OCC[N@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000781897084 931016962 /nfs/dbraw/zinc/01/69/62/931016962.db2.gz CGRZLTAQPWBOJN-UHFFFAOYSA-N 0 0 380.282 3.983 20 10 GHCDRN Cc1cc(Br)c(O)c(CN2CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000781901056 931018153 /nfs/dbraw/zinc/01/81/53/931018153.db2.gz LIZOAFALYFHFFC-KRWDZBQOSA-N 0 0 389.293 3.526 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[N@H+](CCO)[C@H]2CCc3ccccc32)c1 ZINC000781911711 931025124 /nfs/dbraw/zinc/02/51/24/931025124.db2.gz OLSFTNFFJBKOEA-SFHVURJKSA-N 0 0 376.294 3.945 20 10 GHCDRN O=C1NCCN(Cc2cc(Cl)ccc2O)[C@H]1c1ccccc1C(F)(F)F ZINC000781931562 931033857 /nfs/dbraw/zinc/03/38/57/931033857.db2.gz YDZPJQWFWXSPJQ-INIZCTEOSA-N 0 0 384.785 3.738 20 10 GHCDRN Cc1nn(C)c(C)c1NC(=O)CN(C)c1ccc(OCc2ccccc2)cc1 ZINC000781963619 931044178 /nfs/dbraw/zinc/04/41/78/931044178.db2.gz MGNZHPWCAIHNIY-UHFFFAOYSA-N 0 0 378.476 3.691 20 10 GHCDRN Cc1cc2cc[nH]c2cc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000782086953 931085099 /nfs/dbraw/zinc/08/50/99/931085099.db2.gz IJNPZERBRBURGU-UHFFFAOYSA-N 0 0 396.466 3.898 20 10 GHCDRN O=C(c1ccccc1)c1ccc(O)c(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c1[O-] ZINC000782291335 931161492 /nfs/dbraw/zinc/16/14/92/931161492.db2.gz RCXNSSSULCJERG-SFHVURJKSA-N 0 0 388.467 3.788 20 10 GHCDRN COc1c(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)cccc1C(N)=O ZINC000782843158 931349667 /nfs/dbraw/zinc/34/96/67/931349667.db2.gz ZAKQMYPLEVCKSP-UHFFFAOYSA-N 0 0 377.444 3.762 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N[C@H](CC(F)(F)F)C(C)C)CC2)cc1 ZINC000782960393 931376000 /nfs/dbraw/zinc/37/60/00/931376000.db2.gz QRBOQNMALHESAK-QGZVFWFLSA-N 0 0 387.446 3.940 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000783328981 931521144 /nfs/dbraw/zinc/52/11/44/931521144.db2.gz VPTPRASAFCLLJZ-IHRRRGAJSA-N 0 0 379.457 3.787 20 10 GHCDRN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783411004 931541105 /nfs/dbraw/zinc/54/11/05/931541105.db2.gz RAILYKLSKOXHAL-VIFPVBQESA-N 0 0 385.199 3.598 20 10 GHCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]C[C@H]1CCC=CO1 ZINC000783706771 931624372 /nfs/dbraw/zinc/62/43/72/931624372.db2.gz ZLRUVZADGDZGTE-LLVKDONJSA-N 0 0 377.076 3.700 20 10 GHCDRN O=C(COC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1ccc(O)c(O)c1 ZINC000783879132 931702100 /nfs/dbraw/zinc/70/21/00/931702100.db2.gz RNPSNICCZHSCPM-KGLIPLIRSA-N 0 0 381.211 3.934 20 10 GHCDRN CCC(CC)NC(=O)[C@H]1CN(C(=O)/C=C/c2cnccc2C)c2ccccc2O1 ZINC000783944860 931726907 /nfs/dbraw/zinc/72/69/07/931726907.db2.gz OKUCVHDRFTVMPC-RQWLHQTBSA-N 0 0 393.487 3.502 20 10 GHCDRN COCc1ccccc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 ZINC000784058111 931769430 /nfs/dbraw/zinc/76/94/30/931769430.db2.gz LDCOUAZACVERLT-UHFFFAOYSA-N 0 0 381.476 3.720 20 10 GHCDRN Cc1c(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cnn1CC(C)C ZINC000784058327 931769467 /nfs/dbraw/zinc/76/94/67/931769467.db2.gz PZCAPPBZXXBFHF-UHFFFAOYSA-N 0 0 397.523 3.734 20 10 GHCDRN CCOc1cc(F)ccc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1 ZINC000784105652 931785561 /nfs/dbraw/zinc/78/55/61/931785561.db2.gz GLCZAXZBLLHLAR-UHFFFAOYSA-N 0 0 399.466 3.969 20 10 GHCDRN Nc1ccc(N(CC2CCCC2)C(=O)C(=O)N2CCc3c2cccc3F)cc1 ZINC000784108826 931786720 /nfs/dbraw/zinc/78/67/20/931786720.db2.gz MOWXFWCLXPBDQG-UHFFFAOYSA-N 0 0 381.451 3.520 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)c3cccc(C(=O)NC4CC4)c3)cc2)CC1 ZINC000784150704 931798352 /nfs/dbraw/zinc/79/83/52/931798352.db2.gz ZKQVQYJXZSBINM-UHFFFAOYSA-N 0 0 391.515 3.745 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N3CCC([C@H]4CCOC4)CC3)cc2)CC1 ZINC000784308801 931851379 /nfs/dbraw/zinc/85/13/79/931851379.db2.gz PKAKRWNSOBAJLK-NRFANRHFSA-N 0 0 385.552 3.881 20 10 GHCDRN O=C(Nc1cnn(C2CCCC2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000925828030 931917466 /nfs/dbraw/zinc/91/74/66/931917466.db2.gz UADQXPFNNCSMJK-LJQANCHMSA-N 0 0 384.480 3.917 20 10 GHCDRN COc1cc(Br)cc(CNc2ccc3c(c2)C[C@H](OC)C3)c1O ZINC000784629841 931963164 /nfs/dbraw/zinc/96/31/64/931963164.db2.gz PGNIVVJGABMJHZ-MRXNPFEDSA-N 0 0 378.266 3.889 20 10 GHCDRN CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccc(F)cc1[O-] ZINC000796715685 932041595 /nfs/dbraw/zinc/04/15/95/932041595.db2.gz ICYRWTSZSJQGRV-LJQANCHMSA-N 0 0 394.512 3.803 20 10 GHCDRN CC[C@@H]([NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(F)cc1[O-] ZINC000796781741 932066097 /nfs/dbraw/zinc/06/60/97/932066097.db2.gz YJICLTWBCNCDAQ-NVXWUHKLSA-N 0 0 381.831 3.730 20 10 GHCDRN CC1=C[C@@H](C)CN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000797444518 932287354 /nfs/dbraw/zinc/28/73/54/932287354.db2.gz CVHDUXXKSIQZBO-CQSZACIVSA-N 0 0 379.451 3.864 20 10 GHCDRN Cc1ccc(N2CCOCC2)cc1N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000797588464 932336410 /nfs/dbraw/zinc/33/64/10/932336410.db2.gz NBFZECHRMNBKIN-GOSISDBHSA-N 0 0 399.510 3.980 20 10 GHCDRN COc1ccc(CNC(=O)Nc2cc(CC3CC3)nn2-c2ccccc2)c(O)c1 ZINC000797647477 932355784 /nfs/dbraw/zinc/35/57/84/932355784.db2.gz IEAVOWFQRIFPFP-UHFFFAOYSA-N 0 0 392.459 3.861 20 10 GHCDRN COc1ccc(CNC(=O)Nc2cc3c(cc2Br)CCC3)c(O)c1 ZINC000797651276 932356145 /nfs/dbraw/zinc/35/61/45/932356145.db2.gz YEPXTEOOLBRRBB-UHFFFAOYSA-N 0 0 391.265 3.974 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000797650152 932356279 /nfs/dbraw/zinc/35/62/79/932356279.db2.gz HDUBESQXJSKXBJ-MGPLVRAMSA-N 0 0 386.345 3.771 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)N[C@@H](c1cc(F)ccc1F)C(F)F ZINC000797651975 932356873 /nfs/dbraw/zinc/35/68/73/932356873.db2.gz VTZILZWNLWHYFB-FVMDXXJSSA-N 0 0 386.345 3.613 20 10 GHCDRN CCNC(=O)N(C)c1cccc(NC(=O)NCCCSc2nccs2)c1 ZINC000797664997 932360097 /nfs/dbraw/zinc/36/00/97/932360097.db2.gz FRHAHXDUCMJERF-UHFFFAOYSA-N 0 0 393.538 3.613 20 10 GHCDRN Cn1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c2cc(F)ccc21 ZINC000797747329 932393028 /nfs/dbraw/zinc/39/30/28/932393028.db2.gz UFLIQYAFDFDLTO-KRWDZBQOSA-N 0 0 382.435 3.844 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000797766739 932400620 /nfs/dbraw/zinc/40/06/20/932400620.db2.gz PUYLOKFGFMWJKY-CVDCTZTESA-N 0 0 382.504 3.813 20 10 GHCDRN COc1cc(NS(=O)(=O)/C=C/c2cccc(Br)c2)ccc1O ZINC000797820267 932416815 /nfs/dbraw/zinc/41/68/15/932416815.db2.gz OFIGELYUQPEPQK-BQYQJAHWSA-N 0 0 384.251 3.576 20 10 GHCDRN C[C@H](CO)NC(=O)c1ccc(NCc2cc(-c3ccccc3)ccc2O)cc1 ZINC000798084126 932523081 /nfs/dbraw/zinc/52/30/81/932523081.db2.gz SBNADFXSTDGKIZ-MRXNPFEDSA-N 0 0 376.456 3.782 20 10 GHCDRN Cc1cc(NCCNC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)n(C)n1 ZINC000798261646 932580594 /nfs/dbraw/zinc/58/05/94/932580594.db2.gz FLDREGGUZJUUBJ-UHFFFAOYSA-N 0 0 385.899 3.631 20 10 GHCDRN C[C@@H](NC(=O)C1(c2cncc(Br)c2)CC1)c1ccc(N(C)C)cc1 ZINC000798501774 932676514 /nfs/dbraw/zinc/67/65/14/932676514.db2.gz MKBWOWUDPIBNBH-CYBMUJFWSA-N 0 0 388.309 3.819 20 10 GHCDRN CCN(CC)c1ccc(CN2C(=O)[C@@H]3c4ccccc4CCN3C2=O)cc1F ZINC000777643165 932701743 /nfs/dbraw/zinc/70/17/43/932701743.db2.gz JPRRCIPCNGNXLZ-FQEVSTJZSA-N 0 0 381.451 3.734 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)Nc3ccc(N4CCC4=O)cc3)cc2)CC1 ZINC000799239263 932930938 /nfs/dbraw/zinc/93/09/38/932930938.db2.gz HAXTWKRCXGITHB-UHFFFAOYSA-N 0 0 392.503 3.981 20 10 GHCDRN O=C(Nc1ccc(N2CCC2=O)cc1)N(Cc1ccco1)Cc1ccccc1O ZINC000799241436 932931806 /nfs/dbraw/zinc/93/18/06/932931806.db2.gz CZDZKXNCWNNAOM-UHFFFAOYSA-N 0 0 391.427 3.956 20 10 GHCDRN CNC(=O)CSCC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000799308679 932946682 /nfs/dbraw/zinc/94/66/82/932946682.db2.gz QPACVUIBTCKKBN-UHFFFAOYSA-N 0 0 384.423 3.775 20 10 GHCDRN C[C@H](Cn1cccn1)NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000799882028 933151022 /nfs/dbraw/zinc/15/10/22/933151022.db2.gz AFQHUXIZLGUTRN-JKSUJKDBSA-N 0 0 389.931 3.661 20 10 GHCDRN Cc1cc(CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)ncn1 ZINC000799962030 933190334 /nfs/dbraw/zinc/19/03/34/933190334.db2.gz LRTKXIQFQDAPCX-AWEZNQCLSA-N 0 0 387.915 3.674 20 10 GHCDRN CS(=O)(=O)CCCCNc1ccc(Cl)cc1C(=O)c1ccc(F)cc1 ZINC000799967970 933193427 /nfs/dbraw/zinc/19/34/27/933193427.db2.gz REVMCPSZZCHZMJ-UHFFFAOYSA-N 0 0 383.872 3.947 20 10 GHCDRN CC(C)c1nnc2c(NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)nccn21 ZINC000777732370 933195773 /nfs/dbraw/zinc/19/57/73/933195773.db2.gz SSCDICCJXTVEJO-GJZGRUSLSA-N 0 0 398.486 3.613 20 10 GHCDRN COCCOCCCCNC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl ZINC001115933337 933249548 /nfs/dbraw/zinc/24/95/48/933249548.db2.gz YYHBZWGIPGDVBX-UHFFFAOYSA-N 0 0 378.900 3.921 20 10 GHCDRN Cc1nc(CC(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)sc1C ZINC001116001829 933275623 /nfs/dbraw/zinc/27/56/23/933275623.db2.gz ORXJJVMJUDIMKC-UHFFFAOYSA-N 0 0 385.455 3.960 20 10 GHCDRN Cc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)n1CC1CC1 ZINC001116095440 933331901 /nfs/dbraw/zinc/33/19/01/933331901.db2.gz XRCDGIOUEBWMAA-UHFFFAOYSA-N 0 0 395.547 3.654 20 10 GHCDRN CCN(Cc1ccccc1NC(=O)NCc1cccc(Cl)c1O)C(C)=O ZINC000929607072 933538904 /nfs/dbraw/zinc/53/89/04/933538904.db2.gz IOJZKXUEDLFQMD-UHFFFAOYSA-N 0 0 375.856 3.736 20 10 GHCDRN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)NCc1cccc(Cl)c1O ZINC000929901260 933698465 /nfs/dbraw/zinc/69/84/65/933698465.db2.gz ZUPCIIZTZMNSTL-UHFFFAOYSA-N 0 0 375.856 3.814 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)Cc2cccc(C(F)(F)F)n2)C2CC2)cc1 ZINC000929936311 933717186 /nfs/dbraw/zinc/71/71/86/933717186.db2.gz VLCQBBROFFOVOI-UHFFFAOYSA-N 0 0 377.410 3.900 20 10 GHCDRN CCOc1ccc(NC(=S)NCc2cccc(OCC(F)(F)F)n2)cc1 ZINC001116815658 933773544 /nfs/dbraw/zinc/77/35/44/933773544.db2.gz VYKGGZRJDCKKND-UHFFFAOYSA-N 0 0 385.411 3.908 20 10 GHCDRN Cc1nn(C)cc1CCC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC001116931483 933834191 /nfs/dbraw/zinc/83/41/91/933834191.db2.gz IWZUZRXWYWGTIL-HNNXBMFYSA-N 0 0 388.943 3.867 20 10 GHCDRN C[C@@H](c1cccc(NC(=O)NCc2cccc(Cl)c2O)c1)N1CCOCC1 ZINC000930228005 933907870 /nfs/dbraw/zinc/90/78/70/933907870.db2.gz KWKYXEONVMRBHU-AWEZNQCLSA-N 0 0 389.883 3.761 20 10 GHCDRN Oc1cc2c(cc1O)CN(Cc1n[nH]c3ccc(Br)cc31)CCC2 ZINC001139660192 933946725 /nfs/dbraw/zinc/94/67/25/933946725.db2.gz JNYLNULRXSIPEO-UHFFFAOYSA-N 0 0 388.265 3.685 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)COCc3ccncc3)cc2Cl)C1 ZINC001117710271 933991278 /nfs/dbraw/zinc/99/12/78/933991278.db2.gz UFNNJSJIGPVYQL-MRXNPFEDSA-N 0 0 387.911 3.804 20 10 GHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CC12CCSCC2 ZINC001117752643 934006072 /nfs/dbraw/zinc/00/60/72/934006072.db2.gz MONBTTAGQLUYDQ-PBHICJAKSA-N 0 0 396.503 3.906 20 10 GHCDRN COC[C@](C)(O)CCNC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC001117776794 934018308 /nfs/dbraw/zinc/01/83/08/934018308.db2.gz PNHJYISOPZPVEE-OAQYLSRUSA-N 0 0 384.480 3.685 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)NCc3cc4cccc(OC)c4o3)C2)cc1 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COC(=O)C(C)(C)c1csc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000836670740 1023234519 /nfs/dbraw/zinc/23/45/19/1023234519.db2.gz SDOZPDYKQVAYPH-LBPRGKRZSA-N 0 0 390.509 3.542 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H](c1nccs1)C(F)(F)F ZINC000836692407 1023260487 /nfs/dbraw/zinc/26/04/87/1023260487.db2.gz HOWVHKWZJWXTMI-CQSZACIVSA-N 0 0 384.427 3.846 20 10 GHCDRN CN1CCCc2cc(CNC(=O)Nc3nc(CC(F)(F)F)cs3)ccc21 ZINC000836704932 1023279753 /nfs/dbraw/zinc/27/97/53/1023279753.db2.gz ZYGRTQZYILKQOE-UHFFFAOYSA-N 0 0 384.427 3.952 20 10 GHCDRN COc1ccc(N2CCN(Cc3cccc(OC(F)F)c3)CC2)c(OC)c1 ZINC001204850240 1033120044 /nfs/dbraw/zinc/12/00/44/1033120044.db2.gz JZVHOFCSFFBUIS-UHFFFAOYSA-N 0 0 378.419 3.627 20 10 GHCDRN CC(C)Oc1cccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000836727922 1023313216 /nfs/dbraw/zinc/31/32/16/1023313216.db2.gz CJBGXKVSGIXYKO-UHFFFAOYSA-N 0 0 387.455 3.771 20 10 GHCDRN C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCS1 ZINC000755744609 1023360844 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COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](c2ccc(OC)cc2)N2CCCC2)c1 ZINC000756358153 1023603779 /nfs/dbraw/zinc/60/37/79/1023603779.db2.gz SHURXPMCUNKGNB-KKSFZXQISA-N 0 0 398.503 3.675 20 10 GHCDRN Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756360465 1023605103 /nfs/dbraw/zinc/60/51/03/1023605103.db2.gz UHMWHTBIMFRKPZ-YWZLYKJASA-N 0 0 376.447 3.703 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1 ZINC000756361209 1023606319 /nfs/dbraw/zinc/60/63/19/1023606319.db2.gz IVGFCODMHWVFFY-SPLOXXLWSA-N 0 0 385.460 3.998 20 10 GHCDRN COc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])cc1 ZINC000756383020 1023622084 /nfs/dbraw/zinc/62/20/84/1023622084.db2.gz VGOJJFSAIDSAGA-QGHHPUGFSA-N 0 0 384.245 3.687 20 10 GHCDRN C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1cc(Br)c(F)cc1[O-] ZINC000756396225 1023627762 /nfs/dbraw/zinc/62/77/62/1023627762.db2.gz IECFHCGWNQUYPX-NSHDSACASA-N 0 0 397.292 3.505 20 10 GHCDRN C[C@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756424417 1023641727 /nfs/dbraw/zinc/64/17/27/1023641727.db2.gz UNYLNBFZYHZHII-AWEZNQCLSA-N 0 0 395.415 3.674 20 10 GHCDRN C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756475386 1023675092 /nfs/dbraw/zinc/67/50/92/1023675092.db2.gz PAQIYPVQIBDAIN-DZGCQCFKSA-N 0 0 379.457 3.741 20 10 GHCDRN C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-])C(=O)NC(C)(C)C ZINC000756490547 1023683290 /nfs/dbraw/zinc/68/32/90/1023683290.db2.gz VXABULMHCPRTDC-DTWKUNHWSA-N 0 0 377.710 3.762 20 10 GHCDRN C[C@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000756505714 1023688604 /nfs/dbraw/zinc/68/86/04/1023688604.db2.gz XWKCWWRFZJPFIQ-LIRRHRJNSA-N 0 0 378.875 3.909 20 10 GHCDRN COC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000756525299 1023697174 /nfs/dbraw/zinc/69/71/74/1023697174.db2.gz AYDVVFOVYGUVJJ-MWLCHTKSSA-N 0 0 391.693 3.690 20 10 GHCDRN 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O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)Nc1ccc2[nH]ccc2c1 ZINC000838902822 1025430272 /nfs/dbraw/zinc/43/02/72/1025430272.db2.gz KKXVXLWGWNOAGQ-UHFFFAOYSA-N 0 0 386.402 3.604 20 10 GHCDRN COc1ccc(N2CCN(Cc3ccccc3OC(F)F)CC2)c(OC)c1 ZINC001138912389 1025571663 /nfs/dbraw/zinc/57/16/63/1025571663.db2.gz OFPSWWSDVWXVIF-UHFFFAOYSA-N 0 0 378.419 3.627 20 10 GHCDRN CC(C)c1nnc(CNCc2ccc(N3CCCCC3)c(Br)c2)[nH]1 ZINC000839122531 1025617732 /nfs/dbraw/zinc/61/77/32/1025617732.db2.gz COHZXCGYYWIJJU-UHFFFAOYSA-N 0 0 392.345 3.971 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)Nc1nc(C(F)(F)F)co1 ZINC000839132976 1025624517 /nfs/dbraw/zinc/62/45/17/1025624517.db2.gz OCXHEKUKUGOCRA-UHFFFAOYSA-N 0 0 386.399 3.568 20 10 GHCDRN Cc1cc(CC(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)c(C)n1-c1ccccc1 ZINC000832511708 1025626693 /nfs/dbraw/zinc/62/66/93/1025626693.db2.gz JFVBNLDMGHGURX-VWLOTQADSA-N 0 0 399.494 3.759 20 10 GHCDRN CCOC(=O)c1cc(C(C)C)nc(N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC001162297411 1025707237 /nfs/dbraw/zinc/70/72/37/1025707237.db2.gz MSODOKARVJDPDR-MRXNPFEDSA-N 0 0 398.507 3.786 20 10 GHCDRN CN(C)c1ccc(CNc2ncnc3c2cnn3-c2ccccc2F)cc1F ZINC001162308124 1025710044 /nfs/dbraw/zinc/71/00/44/1025710044.db2.gz OSPVOWFNZZMALG-UHFFFAOYSA-N 0 0 380.402 3.772 20 10 GHCDRN Cc1ccc(CN(C)C(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)o1 ZINC000839211708 1025727230 /nfs/dbraw/zinc/72/72/30/1025727230.db2.gz FIBBWAKTDPJQOF-UHFFFAOYSA-N 0 0 384.476 3.614 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc2c(cccc2F)s1 ZINC001162540166 1025785813 /nfs/dbraw/zinc/78/58/13/1025785813.db2.gz RVFXWUOLMDXCTM-UHFFFAOYSA-N 0 0 387.432 3.952 20 10 GHCDRN O=C(NCc1ccc2cccnc2c1O)c1ccnc(OC2CCCCC2)c1 ZINC001162612067 1025827607 /nfs/dbraw/zinc/82/76/07/1025827607.db2.gz BJUIWYZHGGLWFQ-UHFFFAOYSA-N 0 0 377.444 3.977 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1ccc(Cn2cncn2)cc1 ZINC001141606567 1025864697 /nfs/dbraw/zinc/86/46/97/1025864697.db2.gz FMKVFRYLEOPBFA-UHFFFAOYSA-N 0 0 399.498 3.972 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC001139127365 1025939295 /nfs/dbraw/zinc/93/92/95/1025939295.db2.gz UHTRKOZEQLXRLD-UHFFFAOYSA-N 0 0 384.863 3.783 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001139129303 1025941157 /nfs/dbraw/zinc/94/11/57/1025941157.db2.gz VGGUPJIUNCXWRX-GHTZIAJQSA-N 0 0 390.483 3.513 20 10 GHCDRN CC[N@H+](Cc1c([O-])ccc2c(C)cc(=O)oc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001139131558 1025942805 /nfs/dbraw/zinc/94/28/05/1025942805.db2.gz OUVKIKLOGGJWOX-LJQANCHMSA-N 0 0 392.499 3.903 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CCC(CC(=O)OC(C)(C)C)CC1 ZINC001139132027 1025944978 /nfs/dbraw/zinc/94/49/78/1025944978.db2.gz SKFUGDVGJBJHHK-UHFFFAOYSA-N 0 0 387.476 3.751 20 10 GHCDRN CS(=O)(=O)c1ccc(CN2CCCc3cc(OC(F)(F)F)ccc32)o1 ZINC000839509767 1025996127 /nfs/dbraw/zinc/99/61/27/1025996127.db2.gz REBAQHHTSHKYNL-UHFFFAOYSA-N 0 0 375.368 3.535 20 10 GHCDRN CN(C)c1ccc(CNC(=O)CN2CCCC[C@@H]2c2nc3ccccc3o2)cc1 ZINC000839523328 1026005268 /nfs/dbraw/zinc/00/52/68/1026005268.db2.gz MDGXOLYHWJRXOB-HXUWFJFHSA-N 0 0 392.503 3.737 20 10 GHCDRN Cc1ncsc1CCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000839627714 1026132558 /nfs/dbraw/zinc/13/25/58/1026132558.db2.gz GLEIIAOKOZRQJC-UHFFFAOYSA-N 0 0 395.475 3.771 20 10 GHCDRN COc1cc2c(c(OC)c1)N(Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)CCC2 ZINC000839655026 1026176145 /nfs/dbraw/zinc/17/61/45/1026176145.db2.gz QEXOQCABIYWNMS-UHFFFAOYSA-N 0 0 396.403 3.615 20 10 GHCDRN COc1cc2c(c(OC)c1)N(Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CCC2 ZINC000839655621 1026177433 /nfs/dbraw/zinc/17/74/33/1026177433.db2.gz URWNIRAPWUYZSN-UHFFFAOYSA-N 0 0 396.403 3.615 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@@H](N3CCCC3=O)CC2)c(C)n1-c1ccc(F)cc1 ZINC000839894855 1026335910 /nfs/dbraw/zinc/33/59/10/1026335910.db2.gz CKFMYOFDNRFWKX-LJQANCHMSA-N 0 0 397.494 3.850 20 10 GHCDRN CSc1ncc(Cl)c(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000839915417 1026344186 /nfs/dbraw/zinc/34/41/86/1026344186.db2.gz FDVTUCSHIFCCCK-GFCCVEGCSA-N 0 0 378.929 3.587 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCCn1cnc2ccccc21 ZINC000839915064 1026344493 /nfs/dbraw/zinc/34/44/93/1026344493.db2.gz CFHHVDIIFPYWHK-SFHVURJKSA-N 0 0 378.520 3.938 20 10 GHCDRN CCn1cc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c(C(F)(F)F)n1 ZINC000839922678 1026349611 /nfs/dbraw/zinc/34/96/11/1026349611.db2.gz YEVNFJPJPOJILH-CYBMUJFWSA-N 0 0 382.430 3.657 20 10 GHCDRN CC(C)(C[NH2+]Cc1c(O)cccc1Br)c1ccc2c(c1)OCCO2 ZINC001461113498 1069396994 /nfs/dbraw/zinc/39/69/94/1069396994.db2.gz SPVFAMUADPWNDF-UHFFFAOYSA-N 0 0 392.293 3.993 20 10 GHCDRN O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NCc1cc(Cl)ccc1O ZINC001165497598 1026747255 /nfs/dbraw/zinc/74/72/55/1026747255.db2.gz HBOANDZTNDJQIS-UHFFFAOYSA-N 0 0 394.858 3.759 20 10 GHCDRN CC[C@@]1(C(=O)NCc2cc(Cl)ccc2O)CCN(C(=O)OC(C)(C)C)C1 ZINC001165508040 1026749288 /nfs/dbraw/zinc/74/92/88/1026749288.db2.gz KRSZDWSVMNPXRB-LJQANCHMSA-N 0 0 382.888 3.699 20 10 GHCDRN Oc1ccc(F)cc1C[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 ZINC001140054244 1026834249 /nfs/dbraw/zinc/83/42/49/1026834249.db2.gz NJYOBDBWCBYSNY-IBGZPJMESA-N 0 0 377.410 3.664 20 10 GHCDRN CC(C)(C)OC(=O)NCC1(C)CN(Cc2c(O)cccc2Br)C1 ZINC001140101890 1026881190 /nfs/dbraw/zinc/88/11/90/1026881190.db2.gz CSILYCVHBRKDGK-UHFFFAOYSA-N 0 0 385.302 3.501 20 10 GHCDRN Cc1cc(C(=O)NCCN2C[C@H](C)OC[C@H]2C)c(C)n1-c1ccc(Cl)cc1 ZINC001166151331 1026929434 /nfs/dbraw/zinc/92/94/34/1026929434.db2.gz IRNDPVSEBKOWBR-CVEARBPZSA-N 0 0 389.927 3.587 20 10 GHCDRN COC(=O)c1cnc(SC[C@H](O)Cc2ccccc2C(F)(F)F)s1 ZINC000834382880 1026962375 /nfs/dbraw/zinc/96/23/75/1026962375.db2.gz PLMNXLIVMWUKDX-SNVBAGLBSA-N 0 0 377.409 3.644 20 10 GHCDRN Cc1cc(C(=O)Cn2nnc3cc(C)ccc3c2=O)c(C)n1-c1ccc(C)cc1 ZINC001166427621 1026999483 /nfs/dbraw/zinc/99/94/83/1026999483.db2.gz CHNOZOLTVXPUHS-UHFFFAOYSA-N 0 0 386.455 3.699 20 10 GHCDRN Cc1cc(C(=O)N(CCOCCO)C2CCC2)c(C)n1-c1cccc(Cl)c1 ZINC001166435410 1027000878 /nfs/dbraw/zinc/00/08/78/1027000878.db2.gz GKCPYKVINNUHBI-UHFFFAOYSA-N 0 0 390.911 3.751 20 10 GHCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCC1(O)CCN(c2ccccc2)CC1 ZINC001203356583 1027291288 /nfs/dbraw/zinc/29/12/88/1027291288.db2.gz ALMCJCQGKGPJMM-UHFFFAOYSA-N 0 0 378.875 3.696 20 10 GHCDRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])C2 ZINC001203397802 1027310547 /nfs/dbraw/zinc/31/05/47/1027310547.db2.gz ZTAOOFWYVABHOL-BZWBGLRVSA-N 0 0 382.451 3.938 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)cc1F ZINC000840281355 1027407190 /nfs/dbraw/zinc/40/71/90/1027407190.db2.gz RULGZOCYSHWHNY-OAQYLSRUSA-N 0 0 397.494 3.955 20 10 GHCDRN CCOC(=O)[C@@H]1c2ccc(Br)cc2CCN1Cc1ccccc1O ZINC001203562082 1027435062 /nfs/dbraw/zinc/43/50/62/1027435062.db2.gz DCVDZSKNJVWOPS-SFHVURJKSA-N 0 0 390.277 3.817 20 10 GHCDRN O=C1[C@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]2CN1c1ccsc1 ZINC001203577946 1027447290 /nfs/dbraw/zinc/44/72/90/1027447290.db2.gz GNSKEUIIFBKFGM-FZMZJTMJSA-N 0 0 383.300 3.855 20 10 GHCDRN O=C(NC1CCC1)[C@H]1C[C@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]2C1 ZINC001203580902 1027448628 /nfs/dbraw/zinc/44/86/28/1027448628.db2.gz YPXWXXRTLGZPFO-XYYAHUGASA-N 0 0 383.319 3.826 20 10 GHCDRN CCOc1cccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)C2)c1O ZINC001203613712 1027477988 /nfs/dbraw/zinc/47/79/88/1027477988.db2.gz FYLQXYRVSALLOY-OAHLLOKOSA-N 0 0 386.439 3.525 20 10 GHCDRN CCOc1cccc(CN2CCC(F)(F)[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC001203614600 1027478340 /nfs/dbraw/zinc/47/83/40/1027478340.db2.gz BENPVKYLYFASCQ-HNNXBMFYSA-N 0 0 386.439 3.525 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001203634021 1027491758 /nfs/dbraw/zinc/49/17/58/1027491758.db2.gz NNAGANMEEHFCOW-ZYHUDNBSSA-N 0 0 386.183 3.883 20 10 GHCDRN CCC[N@@H+](Cc1ccc(OC)cc1O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203635417 1027493547 /nfs/dbraw/zinc/49/35/47/1027493547.db2.gz SVNALXSJKWHEFR-INIZCTEOSA-N 0 0 378.513 3.870 20 10 GHCDRN CC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(C)C(=O)OC(C)(C)C ZINC001141868929 1027508647 /nfs/dbraw/zinc/50/86/47/1027508647.db2.gz NTMGYPHDJHPQHG-SFHVURJKSA-N 0 0 377.529 3.795 20 10 GHCDRN CCn1ncc2c1CN(Cc1cc(Cl)ccc1O)C[C@@H]2COCC1CC1 ZINC001203656360 1027511674 /nfs/dbraw/zinc/51/16/74/1027511674.db2.gz OKEAIQJEOCXKTO-MRXNPFEDSA-N 0 0 375.900 3.788 20 10 GHCDRN COCC[N@H+](Cc1cc(Cl)ccc1O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001203664394 1027516779 /nfs/dbraw/zinc/51/67/79/1027516779.db2.gz CUMKZSSOGLHKNJ-QGZVFWFLSA-N 0 0 398.931 3.894 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000840481308 1027564976 /nfs/dbraw/zinc/56/49/76/1027564976.db2.gz IDAIJKMTDLVLSY-UZLBHIALSA-N 0 0 387.549 3.837 20 10 GHCDRN CN(C)C(=O)[C@@H]1CCN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)C1 ZINC000840506660 1027584702 /nfs/dbraw/zinc/58/47/02/1027584702.db2.gz AYJDKCPHVSBHDM-MRXNPFEDSA-N 0 0 393.491 3.718 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(C)(C)NC(=O)Nc1ccccc1 ZINC000840556103 1027614797 /nfs/dbraw/zinc/61/47/97/1027614797.db2.gz LADAHZNFTHARIX-KRWDZBQOSA-N 0 0 396.535 3.709 20 10 GHCDRN COc1ccc(N2CCN(C(=O)OCc3ccc(Cl)cc3)CC2)cc1F ZINC001210829847 1027667055 /nfs/dbraw/zinc/66/70/55/1027667055.db2.gz VNPOLOJPGXOGTC-UHFFFAOYSA-N 0 0 378.831 3.947 20 10 GHCDRN COc1ccc(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)cc1O ZINC001203873337 1027674102 /nfs/dbraw/zinc/67/41/02/1027674102.db2.gz DGXCOAQAIIOXKX-UHFFFAOYSA-N 0 0 382.382 3.622 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(Cc2ccc(O)c(O)c2)[C@@H](Cc2ccccc2)C1 ZINC001203881675 1027677157 /nfs/dbraw/zinc/67/71/57/1027677157.db2.gz SMHCAEPLOFRMQG-IBGZPJMESA-N 0 0 398.503 3.762 20 10 GHCDRN COc1cc(CNc2ccc(N3CCOCC3=O)c(C)c2)c(O)c(C(C)(C)C)c1 ZINC001203890859 1027685970 /nfs/dbraw/zinc/68/59/70/1027685970.db2.gz WJBIBKDCXAVJCM-UHFFFAOYSA-N 0 0 398.503 3.982 20 10 GHCDRN CCOC[C@H]1CN(Cc2ccc(N(CC)CC)cc2)Cc2nnn(CC3CC3)c21 ZINC001203940007 1027734049 /nfs/dbraw/zinc/73/40/49/1027734049.db2.gz HQOVPPKYPVFRAT-HXUWFJFHSA-N 0 0 397.567 3.670 20 10 GHCDRN CCN(CC)c1ccc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)cc1 ZINC001203940538 1027735611 /nfs/dbraw/zinc/73/56/11/1027735611.db2.gz OUWZXMMVWCGEHG-KMDXXIMOSA-N 0 0 395.547 3.876 20 10 GHCDRN Oc1ccc([C@H]2C[N@H+](Cc3ccc[nH]3)CCc3c(Cl)c(O)c(O)cc32)cc1 ZINC001204011265 1027805567 /nfs/dbraw/zinc/80/55/67/1027805567.db2.gz LEGBCLCYGBOLFS-GOSISDBHSA-N 0 0 384.863 3.975 20 10 GHCDRN O=C1c2ccccc2N[C@H](c2cc(Cl)c(F)cc2O)N1C[C@H]1CCCO1 ZINC000840785197 1027822946 /nfs/dbraw/zinc/82/29/46/1027822946.db2.gz NKMBASUDFCETTR-ZMZPIMSZSA-N 0 0 376.815 3.930 20 10 GHCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc([C@H]2CCOC2)cc1 ZINC000840905948 1027940998 /nfs/dbraw/zinc/94/09/98/1027940998.db2.gz SAPNADCTXHPXNA-AWEZNQCLSA-N 0 0 386.835 3.518 20 10 GHCDRN COc1cc(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)ccc1Cl ZINC000840914150 1027950748 /nfs/dbraw/zinc/95/07/48/1027950748.db2.gz OPHCDHGNRWKTML-UHFFFAOYSA-N 0 0 385.869 3.780 20 10 GHCDRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NCc2ccc(N(C)C)cc2C)c1 ZINC000840931531 1027966139 /nfs/dbraw/zinc/96/61/39/1027966139.db2.gz MRNKESUXLZYHGP-QGZVFWFLSA-N 0 0 389.565 3.891 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H](COC(N)=O)Cc2ccccc2)c1 ZINC000840961678 1027993237 /nfs/dbraw/zinc/99/32/37/1027993237.db2.gz XLZQCNQVOLZSIC-HNNXBMFYSA-N 0 0 393.281 3.673 20 10 GHCDRN C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000840979093 1028020518 /nfs/dbraw/zinc/02/05/18/1028020518.db2.gz RISVYJQFUJIOGB-ZJUUUORDSA-N 0 0 393.119 3.510 20 10 GHCDRN COc1ccc(NC(=O)NCCc2ccc(N)cc2)cc1OCC(F)(F)F ZINC000841028727 1028054922 /nfs/dbraw/zinc/05/49/22/1028054922.db2.gz HCNOUDGEVVVLEJ-UHFFFAOYSA-N 0 0 383.370 3.583 20 10 GHCDRN C[C@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)Nc3ccc(N)cc3)c2)C1 ZINC000841102658 1028136906 /nfs/dbraw/zinc/13/69/06/1028136906.db2.gz HXHDKOCCPUATTI-YWZLYKJASA-N 0 0 381.476 3.941 20 10 GHCDRN CCCN(C(=O)C(=O)Nc1ccc(N)cc1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000841109016 1028146507 /nfs/dbraw/zinc/14/65/07/1028146507.db2.gz IMKSBPRSFKUQON-RTBURBONSA-N 0 0 387.524 3.574 20 10 GHCDRN Cc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)n1-c1cccc(C)c1 ZINC000301324656 1028289356 /nfs/dbraw/zinc/28/93/56/1028289356.db2.gz NFNRGBFCWJWSDK-UHFFFAOYSA-N 0 0 391.471 3.594 20 10 GHCDRN Nc1ccc(NC(=O)N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)cc1 ZINC000841300606 1028394517 /nfs/dbraw/zinc/39/45/17/1028394517.db2.gz XDAJKLJZZVLCMJ-UHFFFAOYSA-N 0 0 395.381 3.683 20 10 GHCDRN Nc1ccc(NC(=O)NC2(c3cccc(Br)c3)CCOCC2)cc1 ZINC000841301485 1028394890 /nfs/dbraw/zinc/39/48/90/1028394890.db2.gz QYKRTPPYEXTNTD-UHFFFAOYSA-N 0 0 390.281 3.859 20 10 GHCDRN O=S(=O)(NCc1cccc(Cl)c1O)c1cc2nc(Cl)ccc2s1 ZINC001214006464 1028504097 /nfs/dbraw/zinc/50/40/97/1028504097.db2.gz MNNWHTYSWZIKAO-UHFFFAOYSA-N 0 0 389.285 3.787 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cc(C(=O)c2ccccc2)c[nH]1 ZINC001142419119 1028863309 /nfs/dbraw/zinc/86/33/09/1028863309.db2.gz NUUOZPIRCXTXME-KRWDZBQOSA-N 0 0 389.499 3.981 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(OC)cc(OC)c2Cl)c1 ZINC000841735240 1028896151 /nfs/dbraw/zinc/89/61/51/1028896151.db2.gz RJULQUUGLUDLHE-SNVBAGLBSA-N 0 0 380.828 3.954 20 10 GHCDRN CCOC(=O)c1snnc1-c1nc(-c2cccc(Br)c2C)no1 ZINC001214859781 1028941700 /nfs/dbraw/zinc/94/17/00/1028941700.db2.gz XFDMHWPRDNWRTG-UHFFFAOYSA-N 0 0 395.238 3.503 20 10 GHCDRN Cc1ccc2c(c1Nc1cc(F)c(C(N)=O)c(F)c1)C(=O)c1ccccc1C2=O ZINC001214918152 1028965200 /nfs/dbraw/zinc/96/52/00/1028965200.db2.gz MMBCFBNTSMPXMV-UHFFFAOYSA-N 0 0 392.361 3.891 20 10 GHCDRN C[C@H](C(=O)[O-])[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Br)cc1 ZINC000841816948 1028965582 /nfs/dbraw/zinc/96/55/82/1028965582.db2.gz YLDMJBJLYUUVIX-SGTLLEGYSA-N 0 0 390.277 3.936 20 10 GHCDRN COC[C@@H](NC(=O)NCCc1ccc(N)cc1)c1cccc(C(F)(F)F)c1 ZINC000841829843 1028972049 /nfs/dbraw/zinc/97/20/49/1028972049.db2.gz MSGMFNFIMXMREB-QGZVFWFLSA-N 0 0 381.398 3.517 20 10 GHCDRN COc1cc(Br)ccc1[C@@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841887480 1028987914 /nfs/dbraw/zinc/98/79/14/1028987914.db2.gz LZZTULNGEODWNM-GFCCVEGCSA-N 0 0 392.297 3.643 20 10 GHCDRN C[C@@](O)(C[NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccccc1Br ZINC001461466691 1069562373 /nfs/dbraw/zinc/56/23/73/1069562373.db2.gz XOXJZVIIYBPNAQ-MRXNPFEDSA-N 0 0 388.664 3.945 20 10 GHCDRN CC(=O)N1CC2(CC[NH+](Cc3cc(F)c(F)cc3[O-])CC2)c2cc(C)ccc21 ZINC001142521012 1029023599 /nfs/dbraw/zinc/02/35/99/1029023599.db2.gz UKZAMZHSGGBLPD-UHFFFAOYSA-N 0 0 386.442 3.879 20 10 GHCDRN CN(c1ccc(CNC(=O)c2cccc(-n3cccn3)n2)cc1)C1CCCCC1 ZINC001142528415 1029032785 /nfs/dbraw/zinc/03/27/85/1029032785.db2.gz WYFOFBVMWGBNIW-UHFFFAOYSA-N 0 0 389.503 3.966 20 10 GHCDRN Cc1cc(O)c(CNc2ccc(F)c(S(=O)(=O)NC3CC3)c2)c(Cl)c1 ZINC000842216862 1029157644 /nfs/dbraw/zinc/15/76/44/1029157644.db2.gz PDFLKYVBQJHNPH-UHFFFAOYSA-N 0 0 384.860 3.546 20 10 GHCDRN CC[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)CC(F)(F)F ZINC000842262770 1029171434 /nfs/dbraw/zinc/17/14/34/1029171434.db2.gz HRUVVGGGWJUTPK-SNVBAGLBSA-N 0 0 378.778 3.788 20 10 GHCDRN CS(=O)(=O)N(c1ccc(N)cc1)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001215581709 1029291665 /nfs/dbraw/zinc/29/16/65/1029291665.db2.gz ZAPOQQVIFOOBDW-UHFFFAOYSA-N 0 0 376.221 3.582 20 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/nfs/dbraw/zinc/65/55/20/1029655520.db2.gz CCFOGJQMPLVOGE-OSCZDJLXSA-N 0 0 382.416 3.686 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)Cc3ccc(OC(F)F)cc3)C2)cc1 ZINC000842879027 1029657186 /nfs/dbraw/zinc/65/71/86/1029657186.db2.gz PQWINLBYKYTVDS-MRXNPFEDSA-N 0 0 391.414 3.909 20 10 GHCDRN Nc1ccc(Cc2noc(C3CCN(C(=O)CCc4ccccc4)CC3)n2)cc1 ZINC000843162523 1029836715 /nfs/dbraw/zinc/83/67/15/1029836715.db2.gz ZJYOURHKNDVGOH-UHFFFAOYSA-N 0 0 390.487 3.581 20 10 GHCDRN Cc1cc(C)c(N2C[C@@H](c3nc(Cc4ccc(N)cc4)no3)CC2=O)c(C)c1 ZINC000843162441 1029836941 /nfs/dbraw/zinc/83/69/41/1029836941.db2.gz XBVKCNLGXMYQQN-KRWDZBQOSA-N 0 0 376.460 3.688 20 10 GHCDRN CCCCOc1ccc(NC(=O)N(C)CCN(C)c2ccc(OC)cc2)cn1 ZINC001216786471 1029933978 /nfs/dbraw/zinc/93/39/78/1029933978.db2.gz HVFVHRSYONTUEC-UHFFFAOYSA-N 0 0 386.496 3.869 20 10 GHCDRN Cc1ccc(-c2noc(-c3ccc(O)c(CN4CCOCC4)c3)n2)c(Cl)c1 ZINC001217056809 1030130193 /nfs/dbraw/zinc/13/01/93/1030130193.db2.gz QZOINMVHWJGEAT-UHFFFAOYSA-N 0 0 385.851 3.903 20 10 GHCDRN Cc1cc(CCNC(=O)N[C@H]2COc3ccccc3C2)c(C)n1-c1ccccc1 ZINC001222601510 1030225296 /nfs/dbraw/zinc/22/52/96/1030225296.db2.gz SNBQUGPMAHHIOM-OAQYLSRUSA-N 0 0 389.499 3.940 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3ccnc(-c4ccco4)c3)C2)cc1 ZINC001276831982 1030286069 /nfs/dbraw/zinc/28/60/69/1030286069.db2.gz KAMKLPSCMOYHAC-INIZCTEOSA-N 0 0 377.444 3.607 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)C[C@H](C)Cc3cccc(OC)c3)C2)cc1 ZINC001276832196 1030287804 /nfs/dbraw/zinc/28/78/04/1030287804.db2.gz PKONNTSSIVNDGA-QUCCMNQESA-N 0 0 396.531 3.915 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)[nH]c(=O)n2CC1CC1 ZINC001149880801 1030339059 /nfs/dbraw/zinc/33/90/59/1030339059.db2.gz UQIUKGRHSNYFSY-UHFFFAOYSA-N 0 0 379.460 3.910 20 10 GHCDRN CC[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@H](O)c1c(F)cccc1F ZINC001150196249 1030444092 /nfs/dbraw/zinc/44/40/92/1030444092.db2.gz GGQNLKYFNJZPAL-XIKOKIGWSA-N 0 0 393.411 3.833 20 10 GHCDRN O=C(NCCc1ccc(O)c(O)c1)c1cc(F)c(OCc2ccccc2)c(F)c1 ZINC001150487268 1030542462 /nfs/dbraw/zinc/54/24/62/1030542462.db2.gz CVFYGRZSQQBTTD-UHFFFAOYSA-N 0 0 399.393 3.928 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](CCO)C2CCCCC2)c1 ZINC001150727259 1030628568 /nfs/dbraw/zinc/62/85/68/1030628568.db2.gz IFVLJRPMDYZMHF-QFIPXVFZSA-N 0 0 382.504 3.968 20 10 GHCDRN Cc1nc2ccccc2nc1C(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001150858116 1030688339 /nfs/dbraw/zinc/68/83/39/1030688339.db2.gz HBFSLBVEZUROEB-RHIPAHESSA-N 0 0 383.415 3.905 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2CC(C)(C)CC[C@H]2O)CCCC1 ZINC001150888350 1030698732 /nfs/dbraw/zinc/69/87/32/1030698732.db2.gz UCJCYKMWNHNOGY-WIYYLYMNSA-N 0 0 384.520 3.585 20 10 GHCDRN Cc1cc(CNC(=O)C[C@@H](NC(N)=O)c2ccccc2)c(C)n1-c1ccccc1 ZINC001151153910 1030785372 /nfs/dbraw/zinc/78/53/72/1030785372.db2.gz PKDCLAHWZCTACX-OAQYLSRUSA-N 0 0 390.487 3.510 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCc2cc3c(cc2OC)C[C@H](C)O3)cc1 ZINC001224055707 1030865017 /nfs/dbraw/zinc/86/50/17/1030865017.db2.gz PYOBMUCQLASPQY-INIZCTEOSA-N 0 0 397.519 3.864 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCN(c3ccccc3C)CC2)cc1 ZINC001224056140 1030865419 /nfs/dbraw/zinc/86/54/19/1030865419.db2.gz WLVASAMZMGFPRT-UHFFFAOYSA-N 0 0 380.536 3.873 20 10 GHCDRN [NH3+]C[C@@H]1CCCCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])C1 ZINC001206641178 1030907084 /nfs/dbraw/zinc/90/70/84/1030907084.db2.gz UBRTVYBNYHFIFD-JTQLQIEISA-N 0 0 381.236 3.734 20 10 GHCDRN O=C(c1ccc2c(cnn2[C@@H]2CCCCO2)c1)N1CCc2cccc(O)c2C1 ZINC001151578697 1030948068 /nfs/dbraw/zinc/94/80/68/1030948068.db2.gz PRKKRHGNHMIKPW-NRFANRHFSA-N 0 0 377.444 3.640 20 10 GHCDRN CC[C@](C)(COc1ncccc1Cl)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001151709590 1030978747 /nfs/dbraw/zinc/97/87/47/1030978747.db2.gz SJFFQPINEPUTIV-GOSISDBHSA-N 0 0 389.843 3.875 20 10 GHCDRN CN(C)c1nccc2cc(NC(=O)NCc3ccc(N4CC=CC4)cc3)ccc21 ZINC001218618298 1031006758 /nfs/dbraw/zinc/00/67/58/1031006758.db2.gz WKRZNGHKGYBRLX-UHFFFAOYSA-N 0 0 387.487 3.999 20 10 GHCDRN C[C@@H](NC(=O)c1cnnn1-c1cc(Cl)ccc1Cl)c1ccccc1O ZINC001151892367 1031043417 /nfs/dbraw/zinc/04/34/17/1031043417.db2.gz PIOGDSOJBRDNES-SNVBAGLBSA-N 0 0 377.231 3.771 20 10 GHCDRN CN(C)c1ccc(/C=C/c2ccc(NC(=O)c3n[nH]c4c3COCC4)cc2)cc1 ZINC001152012320 1031075931 /nfs/dbraw/zinc/07/59/31/1031075931.db2.gz SLPALZGBAVQUIJ-ONEGZZNKSA-N 0 0 388.471 3.971 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3c4ccccc4CC[C@H]3C)C2)cc1 ZINC001225018279 1031213661 /nfs/dbraw/zinc/21/36/61/1031213661.db2.gz YSKOSIXYTOGGLG-NRJQMVOHSA-N 0 0 379.504 3.897 20 10 GHCDRN O=C(c1ccc(Cn2cc(Br)cn2)cc1)N1Cc2cccc(O)c2C1 ZINC001152573174 1031285475 /nfs/dbraw/zinc/28/54/75/1031285475.db2.gz JSGDZZOLAJYVCV-UHFFFAOYSA-N 0 0 398.260 3.556 20 10 GHCDRN CC(C)(C)CC[C@H](CO)NC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001219189887 1031298332 /nfs/dbraw/zinc/29/83/32/1031298332.db2.gz QZTWUNKINUMYDM-OAHLLOKOSA-N 0 0 381.480 3.705 20 10 GHCDRN CC(C)(CNC(=O)Nc1c(-c2ccccn2)nc2ccccn21)C1CCOCC1 ZINC001219191991 1031298698 /nfs/dbraw/zinc/29/86/98/1031298698.db2.gz ZEJNZCSKJVYZLF-UHFFFAOYSA-N 0 0 393.491 3.971 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1cnnn1-c1ccccc1 ZINC001219248819 1031324121 /nfs/dbraw/zinc/32/41/21/1031324121.db2.gz IDUBCYMTIRHBOF-UHFFFAOYSA-N 0 0 390.491 3.922 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cc(C(=O)OC(C)(C)C)ccn1 ZINC001219307584 1031348623 /nfs/dbraw/zinc/34/86/23/1031348623.db2.gz GGPKMNODEJQCQP-UHFFFAOYSA-N 0 0 384.480 3.733 20 10 GHCDRN CC(C)(C)OC(=O)N1Cc2ccc(C(=O)N3CCc4cccc(O)c4C3)cc2C1 ZINC001153281378 1031518850 /nfs/dbraw/zinc/51/88/50/1031518850.db2.gz IPEFMLPCPAPTSY-UHFFFAOYSA-N 0 0 394.471 3.841 20 10 GHCDRN COc1cc(C(=O)NCc2cc(O)ccc2O)cc(Cl)c1OCC(C)C ZINC001153879199 1031788759 /nfs/dbraw/zinc/78/87/59/1031788759.db2.gz JCHSTSQCRZFOME-UHFFFAOYSA-N 0 0 379.840 3.725 20 10 GHCDRN Cc1ccc(Oc2ccc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)nc2)cc1 ZINC001154026612 1031884901 /nfs/dbraw/zinc/88/49/01/1031884901.db2.gz NUGNBRHMMQUOMK-HNNXBMFYSA-N 0 0 378.428 3.955 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)NC[C@H](C)Cc2cccs2)cc1 ZINC001229241806 1033363633 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GHCDRN COc1ccc(N(Cc2ccccc2)C(=O)/C=C/c2cnccn2)cc1OC ZINC001317924432 1054312640 /nfs/dbraw/zinc/31/26/40/1054312640.db2.gz VRBMYZXHLUTUBH-DHZHZOJOSA-N 0 0 375.428 3.740 20 10 GHCDRN O=C1C=CSC1c1nnc(N2Cc3ccccc3C2)n1C[C@@H]1CCCCO1 ZINC001344250982 1054318476 /nfs/dbraw/zinc/31/84/76/1054318476.db2.gz DCUUGMCXBXQMRK-INIZCTEOSA-N 0 0 382.489 3.802 20 10 GHCDRN CCOC(=O)C1(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CCCC1 ZINC001317973668 1054335579 /nfs/dbraw/zinc/33/55/79/1054335579.db2.gz XUIIUJZEGXWBIW-UHFFFAOYSA-N 0 0 384.476 3.708 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)Cc1ccc(C(N)=O)cc1 ZINC001318114597 1054423236 /nfs/dbraw/zinc/42/32/36/1054423236.db2.gz RGCJBNNEWANHHR-UHFFFAOYSA-N 0 0 375.472 3.774 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1 ZINC001318272506 1054538889 /nfs/dbraw/zinc/53/88/89/1054538889.db2.gz VNVSKZWVMVOXNW-AWEZNQCLSA-N 0 0 383.448 3.719 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCC2CCOCC2)cc1 ZINC001318522428 1054697096 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COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c1 ZINC001320325601 1055754371 /nfs/dbraw/zinc/75/43/71/1055754371.db2.gz GJOIDOUFHYLZIP-JLJPHGGASA-N 0 0 392.496 3.662 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@H](C)N2CCCCC2=O)c1 ZINC001321089688 1056090446 /nfs/dbraw/zinc/09/04/46/1056090446.db2.gz WGRRYDQDRJUZKC-INIZCTEOSA-N 0 0 387.911 3.878 20 10 GHCDRN Cc1cc(C(=O)NC[C@@H](CO)CC2CCOCC2)c(C)n1-c1cc(C)cc(C)c1 ZINC001321193913 1056149448 /nfs/dbraw/zinc/14/94/48/1056149448.db2.gz IPDUYRUWSZVNQE-NRFANRHFSA-N 0 0 398.547 3.866 20 10 GHCDRN CN(C(=O)c1csc(Cc2ccc(N)cc2)n1)[C@@H]1CCc2ccccc2C1 ZINC001354036353 1056270149 /nfs/dbraw/zinc/27/01/49/1056270149.db2.gz QTIHWOPBWKYKRB-LJQANCHMSA-N 0 0 377.513 3.946 20 10 GHCDRN COc1ccc(CN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@H](C)C2CC2)c(OC)c1 ZINC000848101585 1056626017 /nfs/dbraw/zinc/62/60/17/1056626017.db2.gz GTHKPDXUXZNMFV-NVWZYQMFSA-N 0 0 397.471 3.956 20 10 GHCDRN C[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001354578378 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COc1cc(Br)cc([C@H](C)[NH2+]Cc2cn3c(cccc3C)n2)c1O ZINC000848528628 1057151698 /nfs/dbraw/zinc/15/16/98/1057151698.db2.gz NXNGUMSROOOMIF-LBPRGKRZSA-N 0 0 390.281 3.970 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)COc3cc(Cl)ccc3C)CC2)cc1 ZINC001355445751 1057163398 /nfs/dbraw/zinc/16/33/98/1057163398.db2.gz JIJBWGZWYXKURV-UHFFFAOYSA-N 0 0 388.895 3.775 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)[C@@H]3CCCc4ccc(OC)cc43)CC2)cc1 ZINC001355447594 1057164177 /nfs/dbraw/zinc/16/41/77/1057164177.db2.gz ZJLKPFUFZLOKGK-JOCHJYFZSA-N 0 0 394.515 3.863 20 10 GHCDRN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)[C@@H](O)c2ccccc2)c1O ZINC000848550064 1057171784 /nfs/dbraw/zinc/17/17/84/1057171784.db2.gz BIELWDWARBEDCN-XWCIJXRUSA-N 0 0 380.282 3.936 20 10 GHCDRN COCc1nc(CN[C@H](C)c2cc(Br)cc(OC)c2O)cs1 ZINC000848551554 1057173914 /nfs/dbraw/zinc/17/39/14/1057173914.db2.gz PZXRHZHLXZBVKR-SECBINFHSA-N 0 0 387.299 3.617 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1cc(Br)cc(F)c1[O-] ZINC000848557846 1057177624 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Cc1ccc(C)n1-c1ccc(C(=O)N[C@@](C)(C(N)=O)c2cccc(Cl)c2)cc1 ZINC001356003370 1057351873 /nfs/dbraw/zinc/35/18/73/1057351873.db2.gz VFRMVFBYUYFNAS-JOCHJYFZSA-N 0 0 395.890 3.878 20 10 GHCDRN CCc1cccc(CN(CC)Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)c1O ZINC000848878031 1057390546 /nfs/dbraw/zinc/39/05/46/1057390546.db2.gz XKNBHXWSRWESBH-UHFFFAOYSA-N 0 0 397.475 3.643 20 10 GHCDRN O=C(NCC[C@H]1CSc2ccccc2O1)NCc1ccc(N2CC=CC2)cc1 ZINC001326281120 1057447243 /nfs/dbraw/zinc/44/72/43/1057447243.db2.gz VQOIROHQDBMOHX-IBGZPJMESA-N 0 0 395.528 3.805 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc(-n3cnnn3)ccc2Cl)cc1 ZINC001356630541 1057579710 /nfs/dbraw/zinc/57/97/10/1057579710.db2.gz JRDNQOHEOURLCB-UHFFFAOYSA-N 0 0 392.850 3.976 20 10 GHCDRN CN(C[C@H]1CCCO[C@@H]1c1ccccc1)c1nnc(C2SC=CC2=O)n1C ZINC001338086497 1058398234 /nfs/dbraw/zinc/39/82/34/1058398234.db2.gz IBELRTVLRKGWPD-NVXWUHKLSA-N 0 0 384.505 3.853 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC001440682947 1058585085 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20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)NC[C@]3(C)C[C@H]4C[C@H]4C3)cc2F)C[C@@H](C)O1 ZINC001468097539 1067594901 /nfs/dbraw/zinc/59/49/01/1067594901.db2.gz QFZFSATWDXUNNV-LUFJEVGCSA-N 0 0 389.515 3.675 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@H](CO)C2CCCCC2)c1 ZINC001468505740 1067754945 /nfs/dbraw/zinc/75/49/45/1067754945.db2.gz PWFCOGOLMQKLKU-OAQYLSRUSA-N 0 0 382.504 3.825 20 10 GHCDRN O=C([O-])[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000849230185 1067772340 /nfs/dbraw/zinc/77/23/40/1067772340.db2.gz DDBDEYZPSAORSZ-QGZVFWFLSA-N 0 0 379.378 3.816 20 10 GHCDRN COC(=O)C(C)(C)c1ccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)cc1 ZINC000849310156 1067795332 /nfs/dbraw/zinc/79/53/32/1067795332.db2.gz SXCHQYXOFSVGDQ-UHFFFAOYSA-N 0 0 391.489 3.569 20 10 GHCDRN CCO[C@H]1C[C@@H](NC(=O)NCc2ccc(N(CC)CC)c(F)c2)C12CCC2 ZINC001477846739 1078591554 /nfs/dbraw/zinc/59/15/54/1078591554.db2.gz OJXBKWUPPZCFLT-MOPGFXCFSA-N 0 0 377.504 3.819 20 10 GHCDRN CC[C@@H](c1ccccc1)N1CC(=O)N([C@H]2CCN(c3ccc(OC)cc3)C2)C1=O ZINC000849356954 1067819995 /nfs/dbraw/zinc/81/99/95/1067819995.db2.gz IJYNTXQXQNZOEQ-FPOVZHCZSA-N 0 0 393.487 3.689 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CN3C(=O)N[C@@](C)(CCF)C3=O)cc2Cl)C1 ZINC000849358203 1067821169 /nfs/dbraw/zinc/82/11/69/1067821169.db2.gz XCIGIAWXYXOVID-YJYMSZOUSA-N 0 0 381.879 3.746 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC001468743329 1067857453 /nfs/dbraw/zinc/85/74/53/1067857453.db2.gz GLKDTWMZGCFPCJ-YJBOKZPZSA-N 0 0 389.540 3.570 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)NCC3(Br)CC3)ccc21 ZINC001468765074 1067868997 /nfs/dbraw/zinc/86/89/97/1067868997.db2.gz OODAOODSNPWUAI-UHFFFAOYSA-N 0 0 379.298 3.562 20 10 GHCDRN CO[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001469106736 1067980499 /nfs/dbraw/zinc/98/04/99/1067980499.db2.gz NGMSNSQIJGXSGM-ZTFGCOKTSA-N 0 0 397.466 3.514 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc2c(cc(C)cc2C)[nH]1 ZINC001469230196 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GHCDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1cccc(Br)c1O ZINC000765751913 1068121165 /nfs/dbraw/zinc/12/11/65/1068121165.db2.gz UQBHNNMFCRGDEE-UHFFFAOYSA-N 0 0 399.628 3.575 20 10 GHCDRN Cc1cc(CCNC(=O)NC[C@H]2COC3(CCCC3)O2)c(C)n1-c1ccccc1 ZINC001469554611 1068220495 /nfs/dbraw/zinc/22/04/95/1068220495.db2.gz BJLCNVQWFCQVHI-NRFANRHFSA-N 0 0 397.519 3.622 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)NCc1cc(Cl)ccc1O ZINC001469876565 1068443541 /nfs/dbraw/zinc/44/35/41/1068443541.db2.gz HKECAHKELVSPQV-HNNXBMFYSA-N 0 0 382.888 3.842 20 10 GHCDRN CCO[C@H](CNC(=O)N(C)CCN(C)c1ccc(OC)cc1)c1ccccc1 ZINC001470006339 1068517479 /nfs/dbraw/zinc/51/74/79/1068517479.db2.gz DWTQLQXVOIVRJW-OAQYLSRUSA-N 0 0 385.508 3.551 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)c2ccc3n2CCN(C(=O)OC(C)(C)C)[C@H]3C)c1 ZINC001470257798 1068650044 /nfs/dbraw/zinc/65/00/44/1068650044.db2.gz MQOBLNLMYAICOZ-HNNXBMFYSA-N 0 0 399.491 3.744 20 10 GHCDRN O=C(CCNC(=O)N1Cc2cccc(O)c2C1)Nc1cc(Cl)cc(Cl)c1 ZINC001470340341 1068689032 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GHCDRN CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)c2ccccc21 ZINC001472592019 1073566533 /nfs/dbraw/zinc/56/65/33/1073566533.db2.gz OXZBZYZBRSHEBT-ZFWWWQNUSA-N 0 0 387.407 3.537 20 10 GHCDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC[C@@H](CO)Cc1ccco1 ZINC001472651036 1073596830 /nfs/dbraw/zinc/59/68/30/1073596830.db2.gz RZPBZYQQFBARBZ-HNNXBMFYSA-N 0 0 380.400 3.682 20 10 GHCDRN CCc1ccc([C@@H]2CN(c3ccc(/C=C/C(=O)OC)cc3[N+](=O)[O-])CCO2)cc1 ZINC001472757221 1073652909 /nfs/dbraw/zinc/65/29/09/1073652909.db2.gz NOVADOQJIJCEMD-AKERNLMBSA-N 0 0 396.443 3.921 20 10 GHCDRN CCc1nc(N)nc(SCC(=O)c2cc(C)n(-c3ccccc3C)c2C)n1 ZINC001473013924 1073750420 /nfs/dbraw/zinc/75/04/20/1073750420.db2.gz KDBWFAHQNLHXLA-UHFFFAOYSA-N 0 0 381.505 3.707 20 10 GHCDRN COC(=O)c1cc(CN(C)c2ccc(OC)c(Cl)c2)cc(C(=O)OC)c1 ZINC001473251173 1073889056 /nfs/dbraw/zinc/88/90/56/1073889056.db2.gz QZQCEMJRLSTMIM-UHFFFAOYSA-N 0 0 377.824 3.558 20 10 GHCDRN Oc1c(F)cc(Br)cc1CNc1ccc(N2CCOCC2)c(F)c1 ZINC001474053524 1074249416 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C[C@H](CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccnc1 ZINC000742797398 867562171 /nfs/dbraw/zinc/56/21/71/867562171.db2.gz BZIZRRVTVOQIAL-WBVHZDCISA-N 0 0 389.446 3.962 20 10 GHCDRN O=C(NCc1nc2ccccc2n1C1CC1)NCc1ccc(N2CCCC2)cc1 ZINC000183745172 867672624 /nfs/dbraw/zinc/67/26/24/867672624.db2.gz VAKUKQOTKNXNMY-UHFFFAOYSA-N 0 0 389.503 3.971 20 10 GHCDRN S=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CCc2ccccc2C1 ZINC000742988652 867712753 /nfs/dbraw/zinc/71/27/53/867712753.db2.gz VROMSLTWFSBHKR-FQEVSTJZSA-N 0 0 397.613 3.761 20 10 GHCDRN CC(=O)N(c1nc(C=C2SC(NC3CCCCC3)=NC2=O)cs1)C1CC1 ZINC000114991319 882127615 /nfs/dbraw/zinc/12/76/15/882127615.db2.gz QJGVNDCNGIDWNG-DHDCSXOGSA-N 0 0 390.534 3.551 20 10 GHCDRN Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)ccc1OC(C)C ZINC000743193508 867938425 /nfs/dbraw/zinc/93/84/25/867938425.db2.gz HIVKWUQTXVNRIN-UHFFFAOYSA-N 0 0 383.492 3.941 20 10 GHCDRN CC(C)(C)c1cnc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000743220793 867966957 /nfs/dbraw/zinc/96/69/57/867966957.db2.gz MQACDRCZBRTTPD-UHFFFAOYSA-N 0 0 392.500 3.738 20 10 GHCDRN COC(=O)CCCN1C(=O)/C(=C/c2cc3cc(F)ccc3o2)SC1=S ZINC000743279064 868025685 /nfs/dbraw/zinc/02/56/85/868025685.db2.gz DNYFMMQMCFUNIF-ZROIWOOFSA-N 0 0 379.434 3.726 20 10 GHCDRN COc1ccc(N2CCN(CCNC(=O)Nc3ccccc3C(C)C)CC2)cc1 ZINC000743277886 868026267 /nfs/dbraw/zinc/02/62/67/868026267.db2.gz HBDMEIIKEBHXCQ-UHFFFAOYSA-N 0 0 396.535 3.762 20 10 GHCDRN O=C(NOCc1ccccc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743521612 868245146 /nfs/dbraw/zinc/24/51/46/868245146.db2.gz LWLHVIQKONZYMF-MRXNPFEDSA-N 0 0 391.418 3.688 20 10 GHCDRN C[C@@H]1CC[C@H](C)N(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000743554485 868259791 /nfs/dbraw/zinc/25/97/91/868259791.db2.gz GFGNLJOJDHCNHW-TWMKSMIVSA-N 0 0 377.504 3.769 20 10 GHCDRN CS[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000743555171 868261233 /nfs/dbraw/zinc/26/12/33/868261233.db2.gz RMOFQAAKADSWMP-YALNPMBYSA-N 0 0 395.544 3.523 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000743559894 868265631 /nfs/dbraw/zinc/26/56/31/868265631.db2.gz PNXJMGWKNXAJHO-FQEVSTJZSA-N 0 0 385.895 3.833 20 10 GHCDRN Cc1cccc(O[C@H](C)CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000743563974 868269046 /nfs/dbraw/zinc/26/90/46/868269046.db2.gz AMPJOEICQIWJSK-MOPGFXCFSA-N 0 0 397.519 3.659 20 10 GHCDRN C[C@@H](NC(=O)N1Cc2ccccc2C[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000743564513 868271724 /nfs/dbraw/zinc/27/17/24/868271724.db2.gz MWCWWRKAOWTVIX-QZTJIDSGSA-N 0 0 379.504 3.741 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NC[C@](C)(O)c2cc(C)oc2C)cc1F ZINC000743599974 868316498 /nfs/dbraw/zinc/31/64/98/868316498.db2.gz XTMGVYDUHNUZTE-NRFANRHFSA-N 0 0 391.487 3.589 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N[C@H]3C[C@]3(C)c3ccccc3)CC2)cc1 ZINC000743642245 868333370 /nfs/dbraw/zinc/33/33/70/868333370.db2.gz QIHYUWJMZUJINI-JTHBVZDNSA-N 0 0 379.504 3.693 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(N2CCCCCC2)nc1 ZINC000743716279 868381418 /nfs/dbraw/zinc/38/14/18/868381418.db2.gz NSJOVNGIXBYCBP-UHFFFAOYSA-N 0 0 379.504 3.976 20 10 GHCDRN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000743717756 868382682 /nfs/dbraw/zinc/38/26/82/868382682.db2.gz GIMRFYCZIXWVMG-AUUYWEPGSA-N 0 0 378.472 3.796 20 10 GHCDRN Cc1ccc(O)c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000743734931 868398407 /nfs/dbraw/zinc/39/84/07/868398407.db2.gz BUCPLMYDZIMDHI-AWEZNQCLSA-N 0 0 376.403 3.701 20 10 GHCDRN CCSCc1cccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000743913047 868481021 /nfs/dbraw/zinc/48/10/21/868481021.db2.gz CGVWPUDWPPXLGX-UHFFFAOYSA-N 0 0 385.533 3.569 20 10 GHCDRN C[C@H]1Cc2ccccc2N1C1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000744272340 868699268 /nfs/dbraw/zinc/69/92/68/868699268.db2.gz NZEZYOSJUFUMMM-SFHVURJKSA-N 0 0 392.547 3.878 20 10 GHCDRN O=C(Cc1c(F)cccc1Cl)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000071797628 868750056 /nfs/dbraw/zinc/75/00/56/868750056.db2.gz MVQKVIPGDGIZMA-OAHLLOKOSA-N 0 0 377.843 3.935 20 10 GHCDRN C[C@@H](OC(=O)c1ccccc1NN=C1C=CC(=O)C=C1)C(=O)NC[C@H]1CCCO1 ZINC000744550911 868929925 /nfs/dbraw/zinc/92/99/25/868929925.db2.gz POSDRPLXIPZEIV-RHSMWYFYSA-N 0 0 397.431 3.648 20 10 GHCDRN C[C@@H]([NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1ccc(F)cc1[O-] ZINC000793560360 882268940 /nfs/dbraw/zinc/26/89/40/882268940.db2.gz OEWMWHSKNFKZBK-SNVBAGLBSA-N 0 0 391.386 3.804 20 10 GHCDRN C[C@H]([NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1ccc(F)cc1[O-] ZINC000793560359 882269534 /nfs/dbraw/zinc/26/95/34/882269534.db2.gz OEWMWHSKNFKZBK-JTQLQIEISA-N 0 0 391.386 3.804 20 10 GHCDRN C[C@H](C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(Cl)c1 ZINC000745305159 869447629 /nfs/dbraw/zinc/44/76/29/869447629.db2.gz IRALFYQIYHWUSX-HNNXBMFYSA-N 0 0 388.895 3.711 20 10 GHCDRN CSc1cccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CCC[C@H]3O)c2C)c1 ZINC000745330492 869462075 /nfs/dbraw/zinc/46/20/75/869462075.db2.gz QFADAGAOIPFDTG-PKOBYXMFSA-N 0 0 387.501 3.703 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC000745414091 869538918 /nfs/dbraw/zinc/53/89/18/869538918.db2.gz XZZWDGNKMVHVLO-UHFFFAOYSA-N 0 0 397.500 3.611 20 10 GHCDRN CNC(=O)c1ccc(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 ZINC000745464578 869580523 /nfs/dbraw/zinc/58/05/23/869580523.db2.gz YYGCHZCEIVIQQV-UHFFFAOYSA-N 0 0 395.503 3.796 20 10 GHCDRN Brc1ccc2c(c1)CN(Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000793610477 882328778 /nfs/dbraw/zinc/32/87/78/882328778.db2.gz DCWBQIPTNKKITE-UHFFFAOYSA-N 0 0 387.321 3.844 20 10 GHCDRN C[C@H](C1CC1)N(C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CC1 ZINC000745647252 869717679 /nfs/dbraw/zinc/71/76/79/869717679.db2.gz CXSSLCVOBPUOSU-BZUAXINKSA-N 0 0 389.515 3.912 20 10 GHCDRN COc1cccc(CCNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1OC ZINC000745649171 869718533 /nfs/dbraw/zinc/71/85/33/869718533.db2.gz RDWKIKYRSYUWRE-UHFFFAOYSA-N 0 0 399.535 3.933 20 10 GHCDRN Cc1nc(SCCC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)n[nH]1 ZINC000174669501 869765805 /nfs/dbraw/zinc/76/58/05/869765805.db2.gz QPAPWFLWENEQQT-UHFFFAOYSA-N 0 0 387.553 3.681 20 10 GHCDRN COc1cccc(CNC(=O)NCc2ccnc(OC3CCCCC3)c2)c1O ZINC000745793270 869820721 /nfs/dbraw/zinc/82/07/21/869820721.db2.gz UXCUEIQGDBZBDT-UHFFFAOYSA-N 0 0 385.464 3.507 20 10 GHCDRN COc1cccc(CNC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)c1O ZINC000745798884 869825423 /nfs/dbraw/zinc/82/54/23/869825423.db2.gz CIPFTMANPDXYHC-LSDHHAIUSA-N 0 0 391.265 3.519 20 10 GHCDRN CO[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1C)c1cccc(Cl)c1 ZINC000745827852 869850069 /nfs/dbraw/zinc/85/00/69/869850069.db2.gz LVOARXYEUPAYOB-IBGZPJMESA-N 0 0 375.900 3.901 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000745828474 869850103 /nfs/dbraw/zinc/85/01/03/869850103.db2.gz SRLSYUBDLBCURP-HXUWFJFHSA-N 0 0 381.520 3.809 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc([C@@H]2CCCOC2)c1 ZINC000766338136 869932288 /nfs/dbraw/zinc/93/22/88/869932288.db2.gz VXIOQJRDDZTZHT-JOCHJYFZSA-N 0 0 394.515 3.689 20 10 GHCDRN COc1ccc(N(CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC(C)C)cc1 ZINC000746170812 870101193 /nfs/dbraw/zinc/10/11/93/870101193.db2.gz WNRVLWUIAPERBX-FQEVSTJZSA-N 0 0 395.547 3.800 20 10 GHCDRN C[C@@H](NC(=O)NCC1(c2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000065435216 870102743 /nfs/dbraw/zinc/10/27/43/870102743.db2.gz ZHJLHNCMCKUJFN-GOSISDBHSA-N 0 0 379.504 3.615 20 10 GHCDRN COc1ccc([C@@H](C)NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000746221419 870127541 /nfs/dbraw/zinc/12/75/41/870127541.db2.gz OFHICLJBNKGQTA-MRXNPFEDSA-N 0 0 385.533 3.809 20 10 GHCDRN CC[C@@H](NC(=O)C(=O)NCc1c(C)c2ccccc2n1C)c1ccc(F)cc1F ZINC000505517312 870170563 /nfs/dbraw/zinc/17/05/63/870170563.db2.gz XJYUSIWYMGYATH-GOSISDBHSA-N 0 0 399.441 3.649 20 10 GHCDRN CCOc1ccc(N2CCN([C@H]3CCN(c4ccc(Cl)cc4)C3=O)CC2)cc1 ZINC001192412875 870382564 /nfs/dbraw/zinc/38/25/64/870382564.db2.gz LRVQXVFLAHHVTB-NRFANRHFSA-N 0 0 399.922 3.666 20 10 GHCDRN C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1c(F)cccc1Cl ZINC000775546134 870629428 /nfs/dbraw/zinc/62/94/28/870629428.db2.gz QZJZELCOKFYPPU-CQSZACIVSA-N 0 0 377.891 3.854 20 10 GHCDRN C[C@H](NC(=O)NCCCCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000920868735 882427180 /nfs/dbraw/zinc/42/71/80/882427180.db2.gz KWPUSMWAHLYVII-IBGZPJMESA-N 0 0 381.520 3.906 20 10 GHCDRN COc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1O ZINC000775543806 870637264 /nfs/dbraw/zinc/63/72/64/870637264.db2.gz YLGNOVKJRVGMIX-UHFFFAOYSA-N 0 0 376.434 3.740 20 10 GHCDRN Cc1cc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1N(C)C ZINC000065455009 870644458 /nfs/dbraw/zinc/64/44/58/870644458.db2.gz TWOSBPDKIQCTRZ-KRWDZBQOSA-N 0 0 382.508 3.780 20 10 GHCDRN CCOc1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OC ZINC000920872173 882429361 /nfs/dbraw/zinc/42/93/61/882429361.db2.gz HOUHVFFKRLLCMN-INIZCTEOSA-N 0 0 399.491 3.813 20 10 GHCDRN Cc1nc(-c2ccccc2)[nH]c1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920886253 882438192 /nfs/dbraw/zinc/43/81/92/882438192.db2.gz DYLMTULCDZRPJX-INIZCTEOSA-N 0 0 390.487 3.713 20 10 GHCDRN Nc1ccc2c(c1NC(=O)c1ccnc(C3CC3)c1)C(=O)c1ccccc1C2=O ZINC001193007819 870818270 /nfs/dbraw/zinc/81/82/70/870818270.db2.gz UMUQOIDQKJBFDM-UHFFFAOYSA-N 0 0 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ZINC000769868334 874310212 /nfs/dbraw/zinc/31/02/12/874310212.db2.gz IXNWACFVUCQRKM-UHFFFAOYSA-N 0 0 395.452 3.859 20 10 GHCDRN C[C@@H](NCc1nnc(C(=O)Nc2ccccc2)s1)c1ccc(N(C)C)cc1 ZINC000775836094 874331705 /nfs/dbraw/zinc/33/17/05/874331705.db2.gz YVPFMSRHSICHQI-CQSZACIVSA-N 0 0 381.505 3.707 20 10 GHCDRN COCCOc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)c(Cl)c1 ZINC000769948791 874360639 /nfs/dbraw/zinc/36/06/39/874360639.db2.gz RRRCIYLVVCZRHB-UHFFFAOYSA-N 0 0 376.884 3.670 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1cccc(=O)n1CC1CC1 ZINC001198803645 874642298 /nfs/dbraw/zinc/64/22/98/874642298.db2.gz NJLYSNQYHVBCIG-OAQYLSRUSA-N 0 0 380.488 3.634 20 10 GHCDRN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000770390324 874643634 /nfs/dbraw/zinc/64/36/34/874643634.db2.gz XYCZGFXCGBTVME-CHWSQXEVSA-N 0 0 399.329 3.890 20 10 GHCDRN O=C1CCCN1Cc1cccc(NCc2c(O)cccc2Br)c1 ZINC000858102707 882848743 /nfs/dbraw/zinc/84/87/43/882848743.db2.gz GQOIZOZQLNYWDJ-UHFFFAOYSA-N 0 0 375.266 3.889 20 10 GHCDRN Cc1ccc(C(=O)Nc2ccc(I)cc2C)c(O)c1O ZINC000770466056 874699064 /nfs/dbraw/zinc/69/90/64/874699064.db2.gz MNTNPPRPFXNQSW-UHFFFAOYSA-N 0 0 383.185 3.572 20 10 GHCDRN CCOc1ccc(O)c(CNc2cccc(C(=O)N3CCCC[C@@H]3CCO)c2)c1 ZINC000770525438 874745056 /nfs/dbraw/zinc/74/50/56/874745056.db2.gz WFQSCCQIIGMEAE-HXUWFJFHSA-N 0 0 398.503 3.780 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N[C@H]3CCc4cc(O)ccc4C3)cc2)CC1 ZINC000770543518 874753467 /nfs/dbraw/zinc/75/34/67/874753467.db2.gz JNBCDNUIKSOJLL-NRFANRHFSA-N 0 0 393.531 3.985 20 10 GHCDRN CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)N1Cc2cccc(O)c2C1 ZINC001152574597 874829074 /nfs/dbraw/zinc/82/90/74/874829074.db2.gz ZJRPTQZSJHKXDT-INIZCTEOSA-N 0 0 376.497 3.906 20 10 GHCDRN C[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000770743305 874862023 /nfs/dbraw/zinc/86/20/23/874862023.db2.gz JKZPTMRDGPEVMO-SECBINFHSA-N 0 0 398.282 3.976 20 10 GHCDRN CCC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000804458348 882870721 /nfs/dbraw/zinc/87/07/21/882870721.db2.gz HJUAYSNJPPZNBU-NRFANRHFSA-N 0 0 395.547 3.629 20 10 GHCDRN Cc1cc(CC(=O)N(C)CCc2cnccn2)c(C)n1-c1ccc(Cl)cc1 ZINC000770832983 874905739 /nfs/dbraw/zinc/90/57/39/874905739.db2.gz WASXVWRSFYCLPH-UHFFFAOYSA-N 0 0 382.895 3.781 20 10 GHCDRN COc1cccc(F)c1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771060567 875015484 /nfs/dbraw/zinc/01/54/84/875015484.db2.gz WSJYULISNGGRNY-OAHLLOKOSA-N 0 0 392.858 3.588 20 10 GHCDRN CC(C)C(=O)Nc1cccc(NCc2ccc(N3CCN(C)CC3)c(F)c2)c1 ZINC001199539524 875023711 /nfs/dbraw/zinc/02/37/11/875023711.db2.gz LPLKTSNTKPLDDR-UHFFFAOYSA-N 0 0 384.499 3.784 20 10 GHCDRN CN(C)c1ccc([C@@H]2Nc3ccc(Br)cc3C(=O)N2C)cc1F ZINC000771097462 875038697 /nfs/dbraw/zinc/03/86/97/875038697.db2.gz LISYKYQPRXPBDL-MRXNPFEDSA-N 0 0 378.245 3.851 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)NCCN(C)c3ccccc3)ccc21 ZINC000303141479 875097763 /nfs/dbraw/zinc/09/77/63/875097763.db2.gz CZLBRAYBJVASBT-UHFFFAOYSA-N 0 0 379.504 3.771 20 10 GHCDRN CCOC(=O)[C@H](C)NC(=S)Nc1ccccc1C(=O)c1cc(C)cc(C)c1 ZINC001199845528 875203949 /nfs/dbraw/zinc/20/39/49/875203949.db2.gz XVIGYHNGAROLNV-HNNXBMFYSA-N 0 0 384.501 3.772 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000105316604 875212437 /nfs/dbraw/zinc/21/24/37/875212437.db2.gz SWAYJDRLWZUKPD-UHFFFAOYSA-N 0 0 378.394 3.605 20 10 GHCDRN Cc1cc(C(=O)N(C)[C@H](C)[C@@H]2Cc3ccccc3O2)c(C)n1-c1ccccn1 ZINC000771677482 875415437 /nfs/dbraw/zinc/41/54/37/875415437.db2.gz ZRUODMVOFISMNK-UTKZUKDTSA-N 0 0 375.472 3.953 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC2(CC1)OCc1ccccc12 ZINC000760169691 882928310 /nfs/dbraw/zinc/92/83/10/882928310.db2.gz GTMDSKGBCRFOTF-UHFFFAOYSA-N 0 0 379.504 3.792 20 10 GHCDRN COc1ccc(NC(=S)NCc2cc(Br)ccc2O)c(OC)c1 ZINC001200990617 875450671 /nfs/dbraw/zinc/45/06/71/875450671.db2.gz FAGFBIPPAFXRPN-UHFFFAOYSA-N 0 0 397.294 3.659 20 10 GHCDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000771790735 875462357 /nfs/dbraw/zinc/46/23/57/875462357.db2.gz GDABAHGNBOZIIC-UHFFFAOYSA-N 0 0 382.464 3.572 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)N2CCCc3cc(F)c(F)c(F)c32)C1 ZINC001129549048 882934976 /nfs/dbraw/zinc/93/49/76/882934976.db2.gz JFGAKPYUXMWNOB-CYBMUJFWSA-N 0 0 396.409 3.997 20 10 GHCDRN Cc1cc(C(=O)NCc2ncccn2)c(C)n1-c1cccc(Br)c1 ZINC000771825520 875497140 /nfs/dbraw/zinc/49/71/40/875497140.db2.gz DYJQJOCLQOEWEZ-UHFFFAOYSA-N 0 0 385.265 3.577 20 10 GHCDRN Cc1ccc(C(=O)N2CCOCC2)cc1NCc1cc(Cl)cc(F)c1O ZINC001201114896 875507286 /nfs/dbraw/zinc/50/72/86/875507286.db2.gz PSSPQFQUOLUUOB-UHFFFAOYSA-N 0 0 378.831 3.578 20 10 GHCDRN COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000771875496 875509621 /nfs/dbraw/zinc/50/96/21/875509621.db2.gz GZACOOHHQIQGOT-ADLMAVQZSA-N 0 0 380.828 3.828 20 10 GHCDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)NCc1cc(C)ccc1O)O[C@H](C)C2 ZINC000858203154 882937780 /nfs/dbraw/zinc/93/77/80/882937780.db2.gz OAIMEBYCBWGVMF-DKSSEZFCSA-N 0 0 396.487 3.778 20 10 GHCDRN C[C@@H](NC(=O)[C@H](C)c1cn(C)c2ccccc12)c1ccc(N2CCOCC2)cc1 ZINC000771954545 875572993 /nfs/dbraw/zinc/57/29/93/875572993.db2.gz RSESJEGPXUJDJP-QZTJIDSGSA-N 0 0 391.515 3.996 20 10 GHCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000776150840 875599742 /nfs/dbraw/zinc/59/97/42/875599742.db2.gz AGZUXGKZDRPTOK-GOSISDBHSA-N 0 0 381.303 3.862 20 10 GHCDRN CCN(C(=O)/C=C\c1cncc(C)c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000772093234 875671722 /nfs/dbraw/zinc/67/17/22/875671722.db2.gz JTISGQIMUWYRBW-WTKPLQERSA-N 0 0 398.406 3.750 20 10 GHCDRN O=C1c2ccccc2C(=O)c2c(Nc3cnn(Cc4ccccn4)c3)cccc21 ZINC001201420960 875680794 /nfs/dbraw/zinc/68/07/94/875680794.db2.gz DYBLLWWMEZMOEH-UHFFFAOYSA-N 0 0 380.407 3.845 20 10 GHCDRN O=C(Cc1coc(-c2cccs2)n1)NCc1ccc(N2CCSCC2)cc1 ZINC000106015860 875704851 /nfs/dbraw/zinc/70/48/51/875704851.db2.gz VKHMGIUVIKHHJB-UHFFFAOYSA-N 0 0 399.541 3.815 20 10 GHCDRN CC(C)=CCSCC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C ZINC000772265755 875812555 /nfs/dbraw/zinc/81/25/55/875812555.db2.gz HTMPGDZTZKQIFP-UHFFFAOYSA-N 0 0 392.546 3.624 20 10 GHCDRN COC(=O)c1ccccc1CCOC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000772300903 875854341 /nfs/dbraw/zinc/85/43/41/875854341.db2.gz QLDOAVXAGYFIPR-UHFFFAOYSA-N 0 0 396.468 3.502 20 10 GHCDRN COC(=O)c1cc(O)c(F)cc1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC001201798930 875865606 /nfs/dbraw/zinc/86/56/06/875865606.db2.gz DLFZOPCWYAUHTJ-UHFFFAOYSA-N 0 0 395.452 3.661 20 10 GHCDRN CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000776218866 875892807 /nfs/dbraw/zinc/89/28/07/875892807.db2.gz LQXPIWNQRGBVLL-CABZTGNLSA-N 0 0 395.135 3.804 20 10 GHCDRN CC[C@@H](Oc1ccccc1C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000176381242 875940146 /nfs/dbraw/zinc/94/01/46/875940146.db2.gz BEEGBLWOTIESQX-OAQYLSRUSA-N 0 0 382.504 3.946 20 10 GHCDRN FC(F)Oc1ccc(N2CCC[C@@H](Nc3nnc(-c4ccon4)s3)C2)cc1 ZINC000804520356 882979069 /nfs/dbraw/zinc/97/90/69/882979069.db2.gz ZJKIRNUHBGNQRG-LLVKDONJSA-N 0 0 393.419 3.875 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)cc1F ZINC000772467656 875977744 /nfs/dbraw/zinc/97/77/44/875977744.db2.gz DKKUJNCRUBLZBX-KRWDZBQOSA-N 0 0 398.482 3.597 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000772472494 875981154 /nfs/dbraw/zinc/98/11/54/875981154.db2.gz SSUWJNBVUNRSJK-UHFFFAOYSA-N 0 0 393.468 3.536 20 10 GHCDRN COCCOc1ccc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)cc1 ZINC001202062634 875984440 /nfs/dbraw/zinc/98/44/40/875984440.db2.gz JWOMKQQHMRRUGX-UHFFFAOYSA-N 0 0 389.883 3.719 20 10 GHCDRN C[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000776245845 876027653 /nfs/dbraw/zinc/02/76/53/876027653.db2.gz OUJQEONSGINUIJ-LAUBAEHRSA-N 0 0 397.519 3.910 20 10 GHCDRN C[C@H](NC(=O)N(CCO)[C@@H]1CCCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000776250340 876030509 /nfs/dbraw/zinc/03/05/09/876030509.db2.gz URLHWOSDLDIRDX-HTAPYJJXSA-N 0 0 381.520 3.895 20 10 GHCDRN CN1C(=O)C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000776252001 876030521 /nfs/dbraw/zinc/03/05/21/876030521.db2.gz IBJZFZJOVPYMJN-WBVHZDCISA-N 0 0 383.250 3.900 20 10 GHCDRN Cc1nc(NCc2ccc(N(C)C)cc2)nc(NCc2ccc(N(C)C)cc2)n1 ZINC000772612105 876032892 /nfs/dbraw/zinc/03/28/92/876032892.db2.gz NYVCZOVJLGSNLK-UHFFFAOYSA-N 0 0 391.523 3.536 20 10 GHCDRN C[C@H](NC(=O)N(C)Cc1nccn1Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000776248880 876042840 /nfs/dbraw/zinc/04/28/40/876042840.db2.gz LFTFDENPXWKHOL-SFHVURJKSA-N 0 0 391.519 3.900 20 10 GHCDRN C[C@H](NC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1ccc(N2CCOCC2)cc1 ZINC000772603236 876049717 /nfs/dbraw/zinc/04/97/17/876049717.db2.gz PDJZJHFEEIEFLC-SVCSISOJSA-N 0 0 391.515 3.612 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](c1ccc(OC)cc1)C(C)C ZINC000785544340 876097037 /nfs/dbraw/zinc/09/70/37/876097037.db2.gz LMDVVCFYCCDADG-OAQYLSRUSA-N 0 0 398.503 3.653 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000785545532 876099790 /nfs/dbraw/zinc/09/97/90/876099790.db2.gz PCMSEEAJHIETCC-NRFANRHFSA-N 0 0 392.455 3.630 20 10 GHCDRN Cc1cc(Br)c(O)c(CNc2ccc(C)c(N3CCNC3=O)c2)c1 ZINC000785552666 876104388 /nfs/dbraw/zinc/10/43/88/876104388.db2.gz KBKZWAGATWPJJI-UHFFFAOYSA-N 0 0 390.281 3.913 20 10 GHCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(OC(F)F)cn1 ZINC000776307251 876234546 /nfs/dbraw/zinc/23/45/46/876234546.db2.gz WIXUUNXTMOXGBF-UHFFFAOYSA-N 0 0 394.333 3.711 20 10 GHCDRN CN(C)c1ccc(CNC(=O)Nc2nnc(Cc3ccc(F)cc3)s2)cc1 ZINC000106949744 876280951 /nfs/dbraw/zinc/28/09/51/876280951.db2.gz SITZCSUMVDKVQO-UHFFFAOYSA-N 0 0 385.468 3.656 20 10 GHCDRN C[C@H]1CC(=O)N(C)c2ccc(NCc3ccc(N4CCOCC4)c(F)c3)cc21 ZINC000858310957 883016166 /nfs/dbraw/zinc/01/61/66/883016166.db2.gz CGKAPKUFHMAWFR-HNNXBMFYSA-N 0 0 383.467 3.744 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CCO[C@@H](c2ccccc2)O1 ZINC000848224417 876356527 /nfs/dbraw/zinc/35/65/27/876356527.db2.gz BEQVAZSSZIJGAJ-AMHTUMDSSA-N 0 0 382.504 3.613 20 10 GHCDRN CC(C)COc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1ccccc1O ZINC000107763501 876398299 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/nfs/dbraw/zinc/30/28/05/886302805.db2.gz IDFRNGSHYZFQJF-HNNXBMFYSA-N 0 0 399.482 3.619 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1cccnc1-n1ccnc1C ZINC000919760332 886309295 /nfs/dbraw/zinc/30/92/95/886309295.db2.gz HSPZLPYMTNGLMS-UHFFFAOYSA-N 0 0 391.500 3.975 20 10 GHCDRN Cc1cc(C[C@H](C)NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)[nH]n1 ZINC000119071424 886580291 /nfs/dbraw/zinc/58/02/91/886580291.db2.gz FXLGAAKTOYUUPG-INIZCTEOSA-N 0 0 383.540 3.917 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)c1 ZINC000862759115 886586893 /nfs/dbraw/zinc/58/68/93/886586893.db2.gz WPCCWHMWHBAAAC-GIVPXCGWSA-N 0 0 392.499 3.790 20 10 GHCDRN Cc1noc(C)c1COc1ccc(CC(=O)NCc2cc(C)ccc2O)cc1 ZINC000862761250 886588984 /nfs/dbraw/zinc/58/89/84/886588984.db2.gz KYRXGFONBKIBJC-UHFFFAOYSA-N 0 0 380.444 3.743 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1cc(Br)cc(Br)c1[O-] ZINC000762650338 886617440 /nfs/dbraw/zinc/61/74/40/886617440.db2.gz QIDLTVYCNYOPDQ-RVBZMBCESA-N 0 0 393.119 3.993 20 10 GHCDRN CC[C@H](CCO)CNC(=O)c1cc(C)n(-c2ccccc2Br)c1C ZINC000762664728 886649605 /nfs/dbraw/zinc/64/96/05/886649605.db2.gz OQZGKQUCKJCXRA-OAHLLOKOSA-N 0 0 393.325 3.995 20 10 GHCDRN Cc1cc(C(=O)COC(=O)CCCc2nc(C)no2)c(C)n1-c1ccc(F)cc1 ZINC000915449756 886652645 /nfs/dbraw/zinc/65/26/45/886652645.db2.gz QPBUWEVMJXDKKM-UHFFFAOYSA-N 0 0 399.422 3.673 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cc(F)c(F)c(F)c1 ZINC000119211277 886801516 /nfs/dbraw/zinc/80/15/16/886801516.db2.gz JOANDGIEQHUTAY-UHFFFAOYSA-N 0 0 393.409 3.634 20 10 GHCDRN COC(=O)C[C@H](C)CC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000808808118 886811477 /nfs/dbraw/zinc/81/14/77/886811477.db2.gz SLMMXDVMCAAEIA-LSDHHAIUSA-N 0 0 380.916 3.782 20 10 GHCDRN Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2)nn1-c1ccc(F)cc1F ZINC000808894492 886899788 /nfs/dbraw/zinc/89/97/88/886899788.db2.gz BZZSSPXOMGCSQH-UHFFFAOYSA-N 0 0 385.418 3.847 20 10 GHCDRN CCOC(=O)N1CCC(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000863167454 886901765 /nfs/dbraw/zinc/90/17/65/886901765.db2.gz IHJGAIQHYUUQDF-UHFFFAOYSA-N 0 0 383.492 3.579 20 10 GHCDRN COc1cccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1F ZINC000126606731 886988069 /nfs/dbraw/zinc/98/80/69/886988069.db2.gz IHEDVPGVNYGZEZ-UHFFFAOYSA-N 0 0 394.393 3.835 20 10 GHCDRN CCN(CC)c1ccc(C[N@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1F ZINC000119461738 887113632 /nfs/dbraw/zinc/11/36/32/887113632.db2.gz SVGPHWREMTWLQB-OAHLLOKOSA-N 0 0 393.528 3.512 20 10 GHCDRN COc1ccc(N2CCC(N3C(=O)N[C@]4(CCCC(C)(C)C4)C3=O)CC2)cc1 ZINC000863503524 887157213 /nfs/dbraw/zinc/15/72/13/887157213.db2.gz JOPNLSUANSTLIH-QFIPXVFZSA-N 0 0 385.508 3.555 20 10 GHCDRN COc1ccc(N2CCC(N3C(=O)N[C@@]4(CCCC(C)(C)C4)C3=O)CC2)cc1 ZINC000863503523 887157257 /nfs/dbraw/zinc/15/72/57/887157257.db2.gz JOPNLSUANSTLIH-JOCHJYFZSA-N 0 0 385.508 3.555 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)[C@@H](O)c3ccccc3)ccc21 ZINC000809216056 887168727 /nfs/dbraw/zinc/16/87/27/887168727.db2.gz DJOBSPLLAANOSI-KSFYIVLOSA-N 0 0 380.488 3.756 20 10 GHCDRN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3cc(C)n(-c4ccccc4C)c3C)[C@@H]2C1 ZINC000809195985 887191188 /nfs/dbraw/zinc/19/11/88/887191188.db2.gz NKKRMDUYALQCSU-KSEOMHKRSA-N 0 0 393.531 3.779 20 10 GHCDRN Cc1cc(C(=O)C[N@@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000863531821 887196218 /nfs/dbraw/zinc/19/62/18/887196218.db2.gz FQXNXBDAGAJRIJ-OXQOHEQNSA-N 0 0 382.504 3.936 20 10 GHCDRN Cc1cc(CCNC(=O)Cc2cnn(-c3ccccc3)n2)c(C)n1-c1ccccc1 ZINC000915685561 887303660 /nfs/dbraw/zinc/30/36/60/887303660.db2.gz DLYXXWUNODOCKR-UHFFFAOYSA-N 0 0 399.498 3.576 20 10 GHCDRN COCCOc1ccc(CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cn1 ZINC000915708685 887343905 /nfs/dbraw/zinc/34/39/05/887343905.db2.gz CHMLNJDYJXNNOR-UHFFFAOYSA-N 0 0 393.487 3.753 20 10 GHCDRN Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c(C)n1-c1cccc(C)c1 ZINC000130939179 887489747 /nfs/dbraw/zinc/48/97/47/887489747.db2.gz UONIHJLCDKWVCQ-GHTZIAJQSA-N 0 0 379.504 3.533 20 10 GHCDRN COc1cc(CNc2ccc(S(=O)(=O)N(C)C)cc2)c(O)c(C(C)(C)C)c1 ZINC000863985408 887498804 /nfs/dbraw/zinc/49/88/04/887498804.db2.gz YTCBMWPHTVSVJO-UHFFFAOYSA-N 0 0 392.521 3.561 20 10 GHCDRN NC(=O)c1ccc(Cl)c(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000863986605 887500439 /nfs/dbraw/zinc/50/04/39/887500439.db2.gz GUDKLIVNXNFVIG-UHFFFAOYSA-N 0 0 388.855 3.950 20 10 GHCDRN CCN(CC)S(=O)(=O)c1ccc(NCc2cc(F)c(N(C)C)cc2F)cc1 ZINC000863988539 887503516 /nfs/dbraw/zinc/50/35/16/887503516.db2.gz UNYQNURKNDJHNX-UHFFFAOYSA-N 0 0 397.491 3.673 20 10 GHCDRN CCN(CC)c1ccc(CNc2ccc(S(=O)(=O)NC3CC3)cc2)cc1F ZINC000863995048 887509309 /nfs/dbraw/zinc/50/93/09/887509309.db2.gz KPXKNZHVMINHFB-UHFFFAOYSA-N 0 0 391.512 3.725 20 10 GHCDRN COCCNC(=O)c1ccc(Cl)c(NCc2c(O)cc(C)cc2Cl)c1 ZINC000864004210 887514663 /nfs/dbraw/zinc/51/46/63/887514663.db2.gz MAYPWKMRDXPOMM-UHFFFAOYSA-N 0 0 383.275 3.996 20 10 GHCDRN COc1ccc(SCCC(=O)NCc2ccc(N(C)C)cc2C)cc1OC ZINC000119892637 887603517 /nfs/dbraw/zinc/60/35/17/887603517.db2.gz ARPJIMPFIITVFZ-UHFFFAOYSA-N 0 0 388.533 3.877 20 10 GHCDRN Cc1cc(CC(=O)OC[C@H]2CC3(CC3)C(=O)O2)c(C)n1-c1ccc(Cl)cc1 ZINC000763093004 887652775 /nfs/dbraw/zinc/65/27/75/887652775.db2.gz VQPOFPQZRAQAKS-GOSISDBHSA-N 0 0 387.863 3.929 20 10 GHCDRN C[C@H]1CSC[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000809702129 887698123 /nfs/dbraw/zinc/69/81/23/887698123.db2.gz CICKFBFLPMBCKB-WRWORJQWSA-N 0 0 381.133 3.758 20 10 GHCDRN O=C([C@H]1C[C@@H](c2ccccc2)OC1=O)N(Cc1ccco1)Cc1ccccc1O ZINC000809684190 887702699 /nfs/dbraw/zinc/70/26/99/887702699.db2.gz QYUXVWIUEGXOMM-CTNGQTDRSA-N 0 0 391.423 3.818 20 10 GHCDRN O=C1CCC(=O)N1c1cc(NCc2cc(Br)ccc2O)ccc1F ZINC000809720321 887743403 /nfs/dbraw/zinc/74/34/03/887743403.db2.gz AIRNFBYUXIUDMS-UHFFFAOYSA-N 0 0 393.212 3.559 20 10 GHCDRN CN(C)c1ccc(CNc2ccnc(NCc3ccc(N(C)C)cc3)n2)cc1 ZINC000015116846 887745393 /nfs/dbraw/zinc/74/53/93/887745393.db2.gz LKJXECUCHSIFJD-UHFFFAOYSA-N 0 0 376.508 3.833 20 10 GHCDRN O=C1CCC(=O)N1c1cc(NCc2cccc(Br)c2O)ccc1F ZINC000809721069 887746829 /nfs/dbraw/zinc/74/68/29/887746829.db2.gz LYMMKGVMBSPGEW-UHFFFAOYSA-N 0 0 393.212 3.559 20 10 GHCDRN CCOC(=O)c1ccn(-c2cccc(C[NH2+]Cc3cccc(Cl)c3[O-])c2)n1 ZINC000809762114 887805054 /nfs/dbraw/zinc/80/50/54/887805054.db2.gz CZNZXKOYMOTMPH-UHFFFAOYSA-N 0 0 385.851 3.698 20 10 GHCDRN COc1cc(-c2nnc(N(C)Cc3ccccc3O)n2C)ccc1OC(C)C ZINC000809868707 887892163 /nfs/dbraw/zinc/89/21/63/887892163.db2.gz SRYFVTHPJWUCGL-UHFFFAOYSA-N 0 0 382.464 3.620 20 10 GHCDRN CO[C@H](C)c1nsc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)n1 ZINC000809924543 887975735 /nfs/dbraw/zinc/97/57/35/887975735.db2.gz POBUERNJSQOCRB-CQSZACIVSA-N 0 0 389.525 3.804 20 10 GHCDRN CCOCn1nc(C)c(CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1C ZINC000864950382 888097790 /nfs/dbraw/zinc/09/77/90/888097790.db2.gz UNKXYSOFWJQEDZ-UHFFFAOYSA-N 0 0 386.540 3.540 20 10 GHCDRN Cc1cc(CNC(=O)C(=O)c2cnn(C(C)(C)C)c2)c(C)n1-c1ccccc1 ZINC001132048290 888153083 /nfs/dbraw/zinc/15/30/83/888153083.db2.gz PHJHOMNGFNEVLG-UHFFFAOYSA-N 0 0 378.476 3.545 20 10 GHCDRN Cn1c2ccc(Cl)cc2nc1/C(Cl)=C\c1cn(C[C@@H]2CCOC2)nn1 ZINC000865218165 888252611 /nfs/dbraw/zinc/25/26/11/888252611.db2.gz PEDGCDHFAYBOSJ-NGPAHMQLSA-N 0 0 378.263 3.592 20 10 GHCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCc2c[nH]c3cccc(Br)c23)c1 ZINC000810163975 888255104 /nfs/dbraw/zinc/25/51/04/888255104.db2.gz PJUXAHBAWYLRAV-UHFFFAOYSA-N 0 0 390.237 3.877 20 10 GHCDRN c1nc2n(n1)[C@@H](CSc1ncc(-c3ccccc3)n1C[C@H]1CCCO1)CC2 ZINC000865349147 888309230 /nfs/dbraw/zinc/30/92/30/888309230.db2.gz BPSGCQWKBNLHOW-IAGOWNOFSA-N 0 0 381.505 3.600 20 10 GHCDRN C[C@H]1CN(c2ccc(CNCc3cc4c(cc[nH]c4=O)o3)cc2F)C[C@H](C)O1 ZINC000865418723 888336598 /nfs/dbraw/zinc/33/65/98/888336598.db2.gz OTLZDTZZGFJLAY-KBPBESRZSA-N 0 0 385.439 3.576 20 10 GHCDRN Cc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nn1C1CCCCC1 ZINC000810388428 888475718 /nfs/dbraw/zinc/47/57/18/888475718.db2.gz WPOITAHZDOMTSK-INIZCTEOSA-N 0 0 397.523 3.579 20 10 GHCDRN O=C(c1ccc2c(c1)SCC(=O)N2)N(Cc1ccco1)Cc1ccccc1O ZINC000810418563 888484658 /nfs/dbraw/zinc/48/46/58/888484658.db2.gz SKMZHPRTEAESKV-UHFFFAOYSA-N 0 0 394.452 3.872 20 10 GHCDRN Cc1csc2nc(CC(=O)NCc3cc(C)n(-c4ccccc4)c3C)cn12 ZINC001132268054 888493597 /nfs/dbraw/zinc/49/35/97/888493597.db2.gz SECDCLDHBNDZEH-UHFFFAOYSA-N 0 0 378.501 3.971 20 10 GHCDRN Cc1cc(CNC(=O)c2cccc(Cn3ccnn3)c2)c(C)n1-c1ccccc1 ZINC001132268294 888494833 /nfs/dbraw/zinc/49/48/33/888494833.db2.gz ZBSLXOZFQJEJNR-UHFFFAOYSA-N 0 0 385.471 3.664 20 10 GHCDRN O=C(NCCc1ccc(Cl)cc1)NCc1ccc(N2CCSCC2)cc1 ZINC000915885744 888504335 /nfs/dbraw/zinc/50/43/35/888504335.db2.gz SSXOTODLQPVVHQ-UHFFFAOYSA-N 0 0 389.952 3.935 20 10 GHCDRN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000865657938 888504364 /nfs/dbraw/zinc/50/43/64/888504364.db2.gz TXSZTWWNKONXJS-UHFFFAOYSA-N 0 0 387.749 3.689 20 10 GHCDRN FC(F)(F)c1cc(N2CCOCC2)ccc1CNc1ncnc2c1CCCC2 ZINC000763330481 888505504 /nfs/dbraw/zinc/50/55/04/888505504.db2.gz RLBZOLRGGFKIAP-UHFFFAOYSA-N 0 0 392.425 3.823 20 10 GHCDRN CCn1cc(N2C(=O)/C(=C/c3ccnn3-c3ccc(F)cc3)SC2=S)cn1 ZINC000794859267 888525329 /nfs/dbraw/zinc/52/53/29/888525329.db2.gz ORSVTYHOZDVGAL-SXGWCWSVSA-N 0 0 399.476 3.634 20 10 GHCDRN OC[C@H]1CCN(c2ccc(NCc3ccccc3O)cc2Br)C1 ZINC000865714633 888540121 /nfs/dbraw/zinc/54/01/21/888540121.db2.gz VAHCDBUKQBIBRV-ZDUSSCGKSA-N 0 0 377.282 3.585 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)/C=C/c1cncc(F)c1 ZINC000121008010 888832079 /nfs/dbraw/zinc/83/20/79/888832079.db2.gz OGMDGXRVWZPTRS-ZZXKWVIFSA-N 0 0 379.229 3.751 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)NCCc2cn3ccccc3n2)cc1 ZINC000916247351 888869450 /nfs/dbraw/zinc/86/94/50/888869450.db2.gz RLGQPBFOWQDXHT-UHFFFAOYSA-N 0 0 379.508 3.565 20 10 GHCDRN Cc1cc(C(=O)OCc2nnc3n2CCOC3)c(C)n1-c1ccc(C(C)C)cc1 ZINC000810810939 888890629 /nfs/dbraw/zinc/89/06/29/888890629.db2.gz BQTIEUKOJUVPLJ-UHFFFAOYSA-N 0 0 394.475 3.696 20 10 GHCDRN C[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cc(Br)cc(F)c1[O-] ZINC000866531008 888921152 /nfs/dbraw/zinc/92/11/52/888921152.db2.gz DHTQGKJHWHEEOH-AAEUAGOBSA-N 0 0 388.277 3.530 20 10 GHCDRN O=C1/C(=C\c2ccc3c(c2)NC(=O)CO3)SC(=S)N1c1ccc(F)cc1 ZINC000794932779 888948687 /nfs/dbraw/zinc/94/86/87/888948687.db2.gz ZACZCENPVUQRCF-OVCLIPMQSA-N 0 0 386.429 3.562 20 10 GHCDRN C[C@@H]1CCC[C@@H](NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)[C@H]1C ZINC000774757337 913306189 /nfs/dbraw/zinc/30/61/89/913306189.db2.gz PBBGYEIKPOGPOA-LVCYWYKZSA-N 0 0 385.552 3.576 20 10 GHCDRN O=C(NCCC1CCCC1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000916517109 889070637 /nfs/dbraw/zinc/07/06/37/889070637.db2.gz GWVYXVKMTGKLCE-UHFFFAOYSA-N 0 0 399.457 3.922 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000916502930 889076266 /nfs/dbraw/zinc/07/62/66/889076266.db2.gz CGOQESYXZJFIFA-SFHVURJKSA-N 0 0 375.513 3.549 20 10 GHCDRN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cnn(-c2ccccc2)n1 ZINC000916545417 889099620 /nfs/dbraw/zinc/09/96/20/889099620.db2.gz HZCDPWICWLHDDY-GXDHUFHOSA-N 0 0 375.457 3.600 20 10 GHCDRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000916590427 889152133 /nfs/dbraw/zinc/15/21/33/889152133.db2.gz ZQJZZWNTQACCTJ-VIFPVBQESA-N 0 0 385.199 3.598 20 10 GHCDRN CCOc1ccc([C@@H](C)NC(=O)CN(C)c2ccc(OC)c(F)c2)cc1OC ZINC000121839168 889167875 /nfs/dbraw/zinc/16/78/75/889167875.db2.gz LKDVXVLCNSCKAI-CQSZACIVSA-N 0 0 390.455 3.555 20 10 GHCDRN CCn1c(CN(C)Cc2ccc(N3CCOCC3)cc2)nc2cc(F)ccc21 ZINC000154088137 889173399 /nfs/dbraw/zinc/17/33/99/889173399.db2.gz XSEFFTQHBHYENV-UHFFFAOYSA-N 0 0 382.483 3.664 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)NCCOc2cccc(C(F)(F)F)c2)cc1 ZINC000916650623 889272587 /nfs/dbraw/zinc/27/25/87/889272587.db2.gz CYJCYKVNVFMJAD-UHFFFAOYSA-N 0 0 395.425 3.992 20 10 GHCDRN COC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1 ZINC000916662762 889290735 /nfs/dbraw/zinc/29/07/35/889290735.db2.gz BCVNSCZIZGNGAN-BOPFTXTBSA-N 0 0 399.493 3.953 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000916667650 889300179 /nfs/dbraw/zinc/30/01/79/889300179.db2.gz RUPRPJWMQRNPLB-UHFFFAOYSA-N 0 0 387.480 3.880 20 10 GHCDRN Cc1cc(N)cc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 ZINC000868194240 889347845 /nfs/dbraw/zinc/34/78/45/889347845.db2.gz NYACBFFPLCUJPQ-HUUCEWRRSA-N 0 0 386.471 3.652 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)NCc3cccc4[nH]ccc43)C2)cc1 ZINC000868721884 889569569 /nfs/dbraw/zinc/56/95/69/889569569.db2.gz XTAXXLSEQJDSKS-INIZCTEOSA-N 0 0 378.476 3.502 20 10 GHCDRN Oc1c(Br)cc(Br)cc1CN1CCCc2n[nH]cc21 ZINC000811497617 889649495 /nfs/dbraw/zinc/64/94/95/889649495.db2.gz RREFKNHDZKULDS-UHFFFAOYSA-N 0 0 387.075 3.593 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@]12C[C@H]1CCCC2 ZINC000868932807 889670446 /nfs/dbraw/zinc/67/04/46/889670446.db2.gz FIBKOHACJGJHDP-JIGPKXGUSA-N 0 0 389.515 3.555 20 10 GHCDRN CC(C)(C(=O)NCc1ccc2cccnc2c1O)c1cccc(C(F)(F)F)n1 ZINC000868938175 889676031 /nfs/dbraw/zinc/67/60/31/889676031.db2.gz RJISVEAZKLNUIR-UHFFFAOYSA-N 0 0 389.377 3.948 20 10 GHCDRN C[C@H](NC(=O)NCc1nc(C(F)(F)F)n2c1CCCC2)c1ccccc1O ZINC000869102547 889763783 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ZINC000876849611 893359301 /nfs/dbraw/zinc/35/93/01/893359301.db2.gz VGECMVXGNUGMLX-UHFFFAOYSA-N 0 0 393.531 3.886 20 10 GHCDRN C[NH+](C)C1CCN(c2ccc(NCc3ccc(F)c(F)c3[O-])cc2F)CC1 ZINC000876859714 893363480 /nfs/dbraw/zinc/36/34/80/893363480.db2.gz YJZLWFRLLGEFDR-UHFFFAOYSA-N 0 0 379.426 3.952 20 10 GHCDRN CC[C@@H](OC1CCCCC1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000126282715 893434939 /nfs/dbraw/zinc/43/49/39/893434939.db2.gz PKCYRSGURNHNKB-HXUWFJFHSA-N 0 0 376.566 3.984 20 10 GHCDRN CN(C(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1)c1ccc(N)cc1 ZINC000877080664 893472381 /nfs/dbraw/zinc/47/23/81/893472381.db2.gz MFANXLAWNPSJDQ-ZDUSSCGKSA-N 0 0 378.398 3.562 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3cccc4ccc(C)nc43)CC2)cc1 ZINC000126340834 893484868 /nfs/dbraw/zinc/48/48/68/893484868.db2.gz IDRQGRYQGPPYFS-UHFFFAOYSA-N 0 0 375.472 3.951 20 10 GHCDRN Cc1nnc(-c2ccccc2C(=O)NCc2ccc(N3CCSCC3)cc2)o1 ZINC000126444033 893554528 /nfs/dbraw/zinc/55/45/28/893554528.db2.gz YFYTXOKNLGLUQS-UHFFFAOYSA-N 0 0 394.500 3.528 20 10 GHCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cc4sccc4s3)cc2)C1 ZINC000918372793 893561961 /nfs/dbraw/zinc/56/19/61/893561961.db2.gz PPAFPKWYICILET-AWEZNQCLSA-N 0 0 399.541 3.595 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3ccc4c(c3)CCCC4=O)CC2)cc1 ZINC000815259320 893645440 /nfs/dbraw/zinc/64/54/40/893645440.db2.gz RTCNLNVSDZXSAP-UHFFFAOYSA-N 0 0 378.472 3.613 20 10 GHCDRN Cn1nc(C(=O)OC(C)(C)C)cc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000877529577 893667266 /nfs/dbraw/zinc/66/72/66/893667266.db2.gz HXAPKKDGJLKCNB-UHFFFAOYSA-N 0 0 386.279 3.678 20 10 GHCDRN Cn1ncc(Br)c1/C=C1\SC(=S)N(C2CCCCC2)C1=O ZINC000778249054 893692011 /nfs/dbraw/zinc/69/20/11/893692011.db2.gz UOJNYCDSVVZHLK-GHXNOFRVSA-N 0 0 386.340 3.717 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)C(=O)Nc2cccc(Cl)c2F)C2CC2)cc1 ZINC000918455996 893732353 /nfs/dbraw/zinc/73/23/53/893732353.db2.gz NQUYFOPCYJIOCM-UHFFFAOYSA-N 0 0 389.858 3.675 20 10 GHCDRN Cc1cc(CC(=O)N2CCC[C@@H]2C(=O)NC2CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000918564509 894003474 /nfs/dbraw/zinc/00/34/74/894003474.db2.gz DCESKHRLRPITEB-HXUWFJFHSA-N 0 0 399.922 3.560 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815625988 894057093 /nfs/dbraw/zinc/05/70/93/894057093.db2.gz RSVCMILSXVXVEA-UONOGXRCSA-N 0 0 385.430 3.742 20 10 GHCDRN CC[C@@H](Nc1ccc(N2CCN(C(=O)OC)CC2)nc1)c1ccc(N(C)C)cc1 ZINC000815655720 894071097 /nfs/dbraw/zinc/07/10/97/894071097.db2.gz ZXNPQKBUNHNHRP-HXUWFJFHSA-N 0 0 397.523 3.599 20 10 GHCDRN CCc1cc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1C ZINC000778288327 894089675 /nfs/dbraw/zinc/08/96/75/894089675.db2.gz SZBWPBIQMUKAAS-IBGZPJMESA-N 0 0 394.519 3.581 20 10 GHCDRN CO[C@@H](C[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-])C1CC1 ZINC000815650855 894095653 /nfs/dbraw/zinc/09/56/53/894095653.db2.gz CUSBTOAAHPCIIM-OQPBUACISA-N 0 0 393.119 3.993 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)c1cn(-c2cc(C)cc(F)c2)nn1 ZINC000801546396 921118464 /nfs/dbraw/zinc/11/84/64/921118464.db2.gz OJCBUZUOBKLYGT-UHFFFAOYSA-N 0 0 382.439 3.863 20 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/nfs/dbraw/zinc/27/61/68/894276168.db2.gz IHGVQKMWHSEOSV-INIZCTEOSA-N 0 0 375.852 3.876 20 10 GHCDRN COc1nc(OC)c(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)cc1C ZINC001185434307 913860514 /nfs/dbraw/zinc/86/05/14/913860514.db2.gz VRLUIMQWURLHGW-UHFFFAOYSA-N 0 0 377.444 3.836 20 10 GHCDRN COc1ccc(N2CCN([C@H](C)C(=O)Nc3ccccc3SC)CC2)cc1 ZINC000039561454 894340319 /nfs/dbraw/zinc/34/03/19/894340319.db2.gz CHVYDJGRWLOJTI-MRXNPFEDSA-N 0 0 385.533 3.566 20 10 GHCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(F)c(C(F)F)c3)c2)CC1 ZINC000935534679 894596099 /nfs/dbraw/zinc/59/60/99/894596099.db2.gz LIYRDACJUKBZLR-UHFFFAOYSA-N 0 0 391.393 3.684 20 10 GHCDRN O=C(NCc1ccc(F)cc1)Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001185474212 913895199 /nfs/dbraw/zinc/89/51/99/913895199.db2.gz NZKSVZFMTNLHCY-UHFFFAOYSA-N 0 0 390.370 3.628 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1c2c[nH]nc2CC[C@@H]1C ZINC000879023595 894789165 /nfs/dbraw/zinc/78/91/65/894789165.db2.gz FZDUOSONTMDRSG-GTNSWQLSSA-N 0 0 392.297 3.592 20 10 GHCDRN O=C(c1c(F)cccc1F)N1CCN(Cc2ccc3ccccc3c2O)CC1 ZINC000816498267 894849224 /nfs/dbraw/zinc/84/92/24/894849224.db2.gz OCWARWWHRYVFLL-UHFFFAOYSA-N 0 0 382.410 3.782 20 10 GHCDRN O=C(NCc1ccccc1)C1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816482745 894852365 /nfs/dbraw/zinc/85/23/65/894852365.db2.gz RLJBROZCDYDCOW-UHFFFAOYSA-N 0 0 376.859 3.713 20 10 GHCDRN CN(Cc1coc(-c2ccc(F)cc2)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000124324135 913915183 /nfs/dbraw/zinc/91/51/83/913915183.db2.gz OXZLAURBZHUCQD-UHFFFAOYSA-N 0 0 381.451 3.949 20 10 GHCDRN O=C(c1cccc(NCc2ccc3ccccc3c2O)c1)N1CCC(O)CC1 ZINC000816525995 894924684 /nfs/dbraw/zinc/92/46/84/894924684.db2.gz PQBGOMHOLQTFRX-UHFFFAOYSA-N 0 0 376.456 3.754 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCO[C@H](c3cnn(C)c3)C2)c(C)n1-c1ccccc1C ZINC000816774092 895092462 /nfs/dbraw/zinc/09/24/62/895092462.db2.gz QCJLTCDPBKUCNU-UGKGYDQZSA-N 0 0 392.503 3.786 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)CCCn1c(=O)oc2ccccc21 ZINC000801545630 921118934 /nfs/dbraw/zinc/11/89/34/921118934.db2.gz CPKQBWUERDIGIG-UHFFFAOYSA-N 0 0 382.460 3.909 20 10 GHCDRN O=C(c1cc(O)cc(C(F)(F)F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000816921838 895181071 /nfs/dbraw/zinc/18/10/71/895181071.db2.gz IMNNZQAENXVKHE-QGZVFWFLSA-N 0 0 395.377 3.938 20 10 GHCDRN CCc1c(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cnn1CC(C)C ZINC000128014583 895310141 /nfs/dbraw/zinc/31/01/41/895310141.db2.gz ONCVWJNURWFTQS-UHFFFAOYSA-N 0 0 384.524 3.509 20 10 GHCDRN Cc1cc(CNC(=O)CNC(=O)c2ccccc2Cl)c(C)n1-c1ccccc1 ZINC001170857721 895410976 /nfs/dbraw/zinc/41/09/76/895410976.db2.gz KSDPXBUDHMDOKA-UHFFFAOYSA-N 0 0 395.890 3.794 20 10 GHCDRN COC(=O)Cc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1F ZINC000817322482 895509548 /nfs/dbraw/zinc/50/95/48/895509548.db2.gz ZJXMNSPSLITGAR-UHFFFAOYSA-N 0 0 399.466 3.804 20 10 GHCDRN CN(C)c1ccc(CNc2ccccc2O[C@H]2CC(=O)N2)c(C(F)(F)F)c1 ZINC000817417478 895595328 /nfs/dbraw/zinc/59/53/28/895595328.db2.gz HKVXRGPDVKEPEE-SFHVURJKSA-N 0 0 379.382 3.608 20 10 GHCDRN Cc1c(Cl)c(/C=C2\SC(=S)N(CCc3cccs3)C2=O)nn1C ZINC000817706695 895829129 /nfs/dbraw/zinc/82/91/29/895829129.db2.gz FCHYNSYHCOPCQP-WQLSENKSSA-N 0 0 383.951 3.887 20 10 GHCDRN COC1([C@@H](C)NC(=O)N(Cc2ccccc2O)C2CCCCC2)CCOCC1 ZINC000817809906 895899050 /nfs/dbraw/zinc/89/90/50/895899050.db2.gz OASBKMDNRLELRI-QGZVFWFLSA-N 0 0 390.524 3.821 20 10 GHCDRN Cc1ccc(CNC(=O)C(=O)NCCCSc2nccs2)c2ccccc12 ZINC000817823506 895926452 /nfs/dbraw/zinc/92/64/52/895926452.db2.gz MBJHXDYKYXXGGC-UHFFFAOYSA-N 0 0 399.541 3.520 20 10 GHCDRN Nc1ccc(Cc2nc(C(=O)N[C@@H](c3ccccc3)[C@H]3CCCO3)cs2)cc1 ZINC000817929367 895949822 /nfs/dbraw/zinc/94/98/22/895949822.db2.gz GSCFCADUZQPGAR-CTNGQTDRSA-N 0 0 393.512 3.966 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cc(Br)cc(F)c1[O-] ZINC000817942998 895972377 /nfs/dbraw/zinc/97/23/77/895972377.db2.gz SLZMQFWECWECBB-PIGZYNQJSA-N 0 0 396.304 3.710 20 10 GHCDRN Nc1ccc(Cc2nc(C(=O)NCCc3nc4c(s3)CCCC4)cs2)cc1 ZINC000817997206 895982389 /nfs/dbraw/zinc/98/23/89/895982389.db2.gz WCMHRXAOCNGMPW-UHFFFAOYSA-N 0 0 398.557 3.624 20 10 GHCDRN CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817999458 895983979 /nfs/dbraw/zinc/98/39/79/895983979.db2.gz RLNOWULRFMWFGN-QZTJIDSGSA-N 0 0 387.549 3.982 20 10 GHCDRN C[C@H](NC(=O)Nc1cncc(C(F)F)c1)c1ccc(N2CCOCC2)cc1 ZINC000880916234 895993235 /nfs/dbraw/zinc/99/32/35/895993235.db2.gz RVRGKBXAPAKADH-ZDUSSCGKSA-N 0 0 376.407 3.739 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)Nc3ccc4c(c3)CCCN4)C2)cc1 ZINC000818636304 896221863 /nfs/dbraw/zinc/22/18/63/896221863.db2.gz NFMQJDOICHFQET-INIZCTEOSA-N 0 0 380.492 3.701 20 10 GHCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000818667049 896260019 /nfs/dbraw/zinc/26/00/19/896260019.db2.gz PGWSCOQHLPSVAE-UHFFFAOYSA-N 0 0 391.493 3.570 20 10 GHCDRN O=C(CSCc1ccccn1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000128914379 896273128 /nfs/dbraw/zinc/27/31/28/896273128.db2.gz BGYAAUOKUGIVBR-UHFFFAOYSA-N 0 0 388.448 3.729 20 10 GHCDRN Cc1cc(C(=O)NCc2ncn(-c3ccccc3)n2)c(C)n1-c1ccc(F)cc1 ZINC000819192861 896463584 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PXTDBEVZZWFRQH-UHFFFAOYSA-N 0 0 390.281 3.514 20 10 GHCDRN COc1ccccc1[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000127957182 902586295 /nfs/dbraw/zinc/58/62/95/902586295.db2.gz ILSIBQOVTDVNJV-LJQANCHMSA-N 0 0 377.488 3.771 20 10 GHCDRN CC(C)SCCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000806012806 902648755 /nfs/dbraw/zinc/64/87/55/902648755.db2.gz HTZWELFBVRZNIN-AWEZNQCLSA-N 0 0 387.496 3.698 20 10 GHCDRN O=C(c1c(Cl)cccc1Cl)N1CCN(Cc2cc(F)ccc2O)CC1 ZINC000778998070 902657575 /nfs/dbraw/zinc/65/75/75/902657575.db2.gz GVZOGHPZWQJKJF-UHFFFAOYSA-N 0 0 383.250 3.796 20 10 GHCDRN COc1c([O-])c(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)ccc1[N+](=O)[O-] ZINC000775030335 914653962 /nfs/dbraw/zinc/65/39/62/914653962.db2.gz SPUJGTCEENYLEL-UHFFFAOYSA-N 0 0 388.420 3.554 20 10 GHCDRN COc1ccc(N2CCN(Cc3cc(F)c(F)cc3Cl)CC2)c(OC)c1 ZINC001144732083 902759893 /nfs/dbraw/zinc/75/98/93/902759893.db2.gz LFDVPVCNPFCYHI-UHFFFAOYSA-N 0 0 382.838 3.958 20 10 GHCDRN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000129096965 902762363 /nfs/dbraw/zinc/76/23/63/902762363.db2.gz OZDKZWZTMPOEGK-MHZLTWQESA-N 0 0 390.505 3.509 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)c1cccc(OCc2noc(C)n2)c1 ZINC000129640995 902834755 /nfs/dbraw/zinc/83/47/55/902834755.db2.gz CZPZYTSBQNINDC-UHFFFAOYSA-N 0 0 381.432 3.715 20 10 GHCDRN CN(C)c1ccc(CNC(=O)NCc2ccnc(OCc3ccccc3)c2)cc1 ZINC000048141045 902944736 /nfs/dbraw/zinc/94/47/36/902944736.db2.gz VRUXVZYEBSAOPQ-UHFFFAOYSA-N 0 0 390.487 3.726 20 10 GHCDRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)NCc2cc(Cl)ccc2O)nc1 ZINC000846473549 903002712 /nfs/dbraw/zinc/00/27/12/903002712.db2.gz MUVZFURDZZHLPO-UHFFFAOYSA-N 0 0 391.855 3.647 20 10 GHCDRN CN(Cc1c2ccccc2cc2ccccc21)C(=O)CN1C(=O)CSC1=S ZINC001144843922 903023013 /nfs/dbraw/zinc/02/30/13/903023013.db2.gz IQLXYDYXXYMTIN-UHFFFAOYSA-N 0 0 394.521 3.812 20 10 GHCDRN CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)CN2C(=O)CSC2=S)cc1O ZINC001144847277 903024038 /nfs/dbraw/zinc/02/40/38/903024038.db2.gz MSLLDMJRYQZSOR-UHFFFAOYSA-N 0 0 394.562 3.786 20 10 GHCDRN COc1c([O-])c(C[NH2+]CCc2ccccc2OC(F)(F)F)ccc1[N+](=O)[O-] ZINC000775034935 914686174 /nfs/dbraw/zinc/68/61/74/914686174.db2.gz UYSOQFCFCFHURW-UHFFFAOYSA-N 0 0 386.326 3.540 20 10 GHCDRN CN(C)c1ccc(CNC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 ZINC000048245164 903200339 /nfs/dbraw/zinc/20/03/39/903200339.db2.gz PFROOOMZHHQBPX-UHFFFAOYSA-N 0 0 375.428 3.726 20 10 GHCDRN COc1ccc(N(C)Cc2nnc(-c3ccc(Br)o3)o2)c(OC)c1 ZINC000132295450 903234910 /nfs/dbraw/zinc/23/49/10/903234910.db2.gz OKZJWICDUHFMDX-UHFFFAOYSA-N 0 0 394.225 3.746 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2cn(C)nc2-c2ccc(C)o2)cc1F ZINC001144978982 903328708 /nfs/dbraw/zinc/32/87/08/903328708.db2.gz XZBFZMFCBHAXLS-UHFFFAOYSA-N 0 0 384.455 3.904 20 10 GHCDRN COc1ccc(CNC(=O)C(C)(C)Oc2ccc(Br)cc2)c(O)c1 ZINC000846950991 903342802 /nfs/dbraw/zinc/34/28/02/903342802.db2.gz SMXVUCJSCFMSTG-UHFFFAOYSA-N 0 0 394.265 3.637 20 10 GHCDRN COc1cc(C)c(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)cc1OC ZINC000264808981 903394627 /nfs/dbraw/zinc/39/46/27/903394627.db2.gz ZMLKOWCKFGJFNU-RMKNXTFCSA-N 0 0 382.460 3.501 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](CO)CC(C)C)c(C)n1-c1cccc(Br)c1 ZINC001146259246 903492407 /nfs/dbraw/zinc/49/24/07/903492407.db2.gz BRAJSLNLLDQIBS-MRXNPFEDSA-N 0 0 393.325 3.993 20 10 GHCDRN CN(CCN(C)c1ccc(NC(=O)COC2CCCC2)cc1)c1ccc(N)cc1 ZINC001146768620 903597640 /nfs/dbraw/zinc/59/76/40/903597640.db2.gz BAUCDPUDSCJFAK-UHFFFAOYSA-N 0 0 396.535 3.739 20 10 GHCDRN Cc1cc(CC(=O)NCCc2nc3ccccc3n2C)c(C)n1-c1ccccc1 ZINC001146805686 903615277 /nfs/dbraw/zinc/61/52/77/903615277.db2.gz GGKFVBFCVFLNIF-UHFFFAOYSA-N 0 0 386.499 3.882 20 10 GHCDRN Cc1cc(C(=O)N(C)Cc2c[nH]cn2)c(C)n1-c1cccc(Br)c1 ZINC001147072502 903683303 /nfs/dbraw/zinc/68/33/03/903683303.db2.gz FKBSSEQFKOODFF-UHFFFAOYSA-N 0 0 387.281 3.852 20 10 GHCDRN COc1ccnc(CNC(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)c1F ZINC001147800830 903879824 /nfs/dbraw/zinc/87/98/24/903879824.db2.gz UIQAVHXVZNLWQV-UHFFFAOYSA-N 0 0 395.434 3.688 20 10 GHCDRN COc1cccc(CNC(=O)C(=O)Nc2ccc(SC(C)(C)C)cc2)c1O ZINC000265494184 903924384 /nfs/dbraw/zinc/92/43/84/903924384.db2.gz ANENVKPFSZMWSA-UHFFFAOYSA-N 0 0 388.489 3.546 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 ZINC001147957482 903933060 /nfs/dbraw/zinc/93/30/60/903933060.db2.gz RYGGXUXARGGIKR-UHFFFAOYSA-N 0 0 383.448 3.775 20 10 GHCDRN CCCc1nc(C(=O)NCc2cc(C)ccc2O)nn1-c1ccccc1Cl ZINC001147957865 903933490 /nfs/dbraw/zinc/93/34/90/903933490.db2.gz ZFMDVWMBLDHCMA-UHFFFAOYSA-N 0 0 384.867 3.817 20 10 GHCDRN Cc1cc(NC(=O)c2cccc(O)c2O)n(-c2ccc(C(F)(F)F)cc2)n1 ZINC001148212108 904007807 /nfs/dbraw/zinc/00/78/07/904007807.db2.gz MGVBKOBEVYBYOM-UHFFFAOYSA-N 0 0 377.322 3.863 20 10 GHCDRN Cn1cc(-c2ccc(C3CCN(C(=O)c4cccc(O)c4O)CC3)cc2)cn1 ZINC001148219239 904009900 /nfs/dbraw/zinc/00/99/00/904009900.db2.gz YADBAHZUJFDMNL-UHFFFAOYSA-N 0 0 377.444 3.518 20 10 GHCDRN CCCCCc1ccc(NC(=O)C(=O)N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000103631212 904047142 /nfs/dbraw/zinc/04/71/42/904047142.db2.gz AZKHZEUUHMVRSE-OAHLLOKOSA-N 0 0 384.476 3.949 20 10 GHCDRN Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)c2cc(O)c(O)c(O)c2)c1 ZINC001148581822 904126477 /nfs/dbraw/zinc/12/64/77/904126477.db2.gz BPLDYFFRUXANRQ-UHFFFAOYSA-N 0 0 381.432 3.847 20 10 GHCDRN COc1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)c(Cl)c2)ccc1O ZINC001186772921 914796924 /nfs/dbraw/zinc/79/69/24/914796924.db2.gz CVSCWDAYVBZVIH-UHFFFAOYSA-N 0 0 397.758 3.754 20 10 GHCDRN Nc1ccc(CC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1 ZINC000153031712 904323020 /nfs/dbraw/zinc/32/30/20/904323020.db2.gz IQAYPERWPSWCFB-UHFFFAOYSA-N 0 0 392.421 3.695 20 10 GHCDRN Cc1cc(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)ccc1O ZINC000579075570 904329830 /nfs/dbraw/zinc/32/98/30/904329830.db2.gz WRSNDWKLDKBALM-UHFFFAOYSA-N 0 0 377.425 3.634 20 10 GHCDRN CSc1ccc(N2C[C@H](C(=O)N[C@H](C)c3ccc(N(C)C)cc3)CC2=O)cc1 ZINC000773010513 904365202 /nfs/dbraw/zinc/36/52/02/904365202.db2.gz BAPHCEDCWPOXMD-NVXWUHKLSA-N 0 0 397.544 3.705 20 10 GHCDRN CC(C)(C)OC(=O)NCc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000779125635 904406786 /nfs/dbraw/zinc/40/67/86/904406786.db2.gz WRFRYDPWAPPZOP-XFFZJAGNSA-N 0 0 384.432 3.774 20 10 GHCDRN Cc1cc(Cl)c(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000773086576 904421117 /nfs/dbraw/zinc/42/11/17/904421117.db2.gz DEMMWXIEKXBFBL-GFCCVEGCSA-N 0 0 397.884 3.662 20 10 GHCDRN CC(C)(C)NS(=O)(=O)c1ccc(NCc2cc3ccccc3cc2O)nc1 ZINC001171401960 904505486 /nfs/dbraw/zinc/50/54/86/904505486.db2.gz DGZUVGAJGJPHSS-UHFFFAOYSA-N 0 0 385.489 3.629 20 10 GHCDRN CC(=O)Nc1ccc(O)c(NC(=O)c2cc(-n3c(C)ccc3C)ccc2O)c1 ZINC001186848197 914821539 /nfs/dbraw/zinc/82/15/39/914821539.db2.gz DAXJRAJWTLGEKU-UHFFFAOYSA-N 0 0 379.416 3.716 20 10 GHCDRN Cc1cc(CC(=O)Nc2ccnn2C2CCOCC2)c(C)n1-c1ccccc1 ZINC000889904616 904835534 /nfs/dbraw/zinc/83/55/34/904835534.db2.gz LYBYVNZDFIGJAB-UHFFFAOYSA-N 0 0 378.476 3.823 20 10 GHCDRN Cc1cc(C)c2cc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)ccc2n1 ZINC000890116201 904903816 /nfs/dbraw/zinc/90/38/16/904903816.db2.gz PPIOLRYSTDANMZ-INIZCTEOSA-N 0 0 390.487 3.734 20 10 GHCDRN O=C(NCc1nsc2ccccc12)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000890298506 904982779 /nfs/dbraw/zinc/98/27/79/904982779.db2.gz LVJXXRWOHSPKIL-INIZCTEOSA-N 0 0 397.500 3.893 20 10 GHCDRN COCc1cccc(CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1 ZINC000188822838 904988619 /nfs/dbraw/zinc/98/86/19/904988619.db2.gz KXQAHMAIHWFAMN-QHCPKHFHSA-N 0 0 396.531 3.649 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(N2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000801548879 921122075 /nfs/dbraw/zinc/12/20/75/921122075.db2.gz VGSADQAJQVSIAQ-HDICACEKSA-N 0 0 397.519 3.843 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)c1cnn(-c2ccccc2)c1 ZINC000801549637 921123058 /nfs/dbraw/zinc/12/30/58/921123058.db2.gz ULBOGPZUKUUYBQ-UHFFFAOYSA-N 0 0 377.444 3.590 20 10 GHCDRN CC1CCN(c2ccc(CNS(=O)(=O)CCc3cccs3)cc2)CC1 ZINC000189601161 905197200 /nfs/dbraw/zinc/19/72/00/905197200.db2.gz BXMXDULOXNLASU-UHFFFAOYSA-N 0 0 378.563 3.647 20 10 GHCDRN Cc1c(NC(=O)NCc2ccc3c(c2)CCCN3C)cccc1N1CCOC1=O ZINC000174556029 905296271 /nfs/dbraw/zinc/29/62/71/905296271.db2.gz FBIVRNLZOWRYKH-UHFFFAOYSA-N 0 0 394.475 3.656 20 10 GHCDRN Cn1nc(Br)cc1/C=C1\SC(=S)N(c2ccsc2)C1=O ZINC000779220769 905468076 /nfs/dbraw/zinc/46/80/76/905468076.db2.gz HQYUYLBUZWTUNC-WTKPLQERSA-N 0 0 386.321 3.650 20 10 GHCDRN COC[C@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000190122786 905788079 /nfs/dbraw/zinc/78/80/79/905788079.db2.gz HKWGEOPDKYTHDX-QFIPXVFZSA-N 0 0 381.520 3.686 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1ccn2ccnc2c1 ZINC000177785078 906216903 /nfs/dbraw/zinc/21/69/03/906216903.db2.gz HJXBYDCVSNRZJO-UHFFFAOYSA-N 0 0 377.492 3.666 20 10 GHCDRN COc1ccc(O)c(CNC(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)c1 ZINC000190724620 906259608 /nfs/dbraw/zinc/25/96/08/906259608.db2.gz KGBHHQYIZUTRGM-UHFFFAOYSA-N 0 0 383.366 3.893 20 10 GHCDRN CCC1(CC)CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CCS1(=O)=O ZINC000779359688 906405147 /nfs/dbraw/zinc/40/51/47/906405147.db2.gz UNYUBJJMQADYQC-UHFFFAOYSA-N 0 0 388.533 3.524 20 10 GHCDRN C[C@H](O)[C@](C)(CNC(=O)NCc1ccc(N2CCCC2)cc1)Cc1ccccc1 ZINC000191117832 906644540 /nfs/dbraw/zinc/64/45/40/906644540.db2.gz ZINZUCTVWPVPMN-CYFREDJKSA-N 0 0 395.547 3.716 20 10 GHCDRN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180735330 906832125 /nfs/dbraw/zinc/83/21/25/906832125.db2.gz JZIKBTSETOKXSJ-KSEUIEODSA-N 0 0 377.444 3.844 20 10 GHCDRN COc1ccc(N(c2ccc(N)cc2)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC001174258555 906950599 /nfs/dbraw/zinc/95/05/99/906950599.db2.gz ATRFSQZFQQGVLU-UHFFFAOYSA-N 0 0 397.500 3.998 20 10 GHCDRN Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)C=Cc4ccc(O)c(O)c4)C3)nc2c1 ZINC000181248435 906955862 /nfs/dbraw/zinc/95/58/62/906955862.db2.gz YYPTWUNKSLECRV-YXMGTMDOSA-N 0 0 377.444 3.702 20 10 GHCDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000182253522 907170022 /nfs/dbraw/zinc/17/00/22/907170022.db2.gz BTLBFBDBBGDKKR-GFCCVEGCSA-N 0 0 382.430 3.548 20 10 GHCDRN CNS(=O)(=O)c1cccc(Nc2ccc(CCc3ccc(N)cc3)cc2)c1 ZINC001174728042 907177095 /nfs/dbraw/zinc/17/70/95/907177095.db2.gz KSQJZVQNMSMPFW-UHFFFAOYSA-N 0 0 381.501 3.706 20 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/nfs/dbraw/zinc/37/52/49/907375249.db2.gz WPJURXLPHKUQOH-OAHLLOKOSA-N 0 0 382.483 3.986 20 10 GHCDRN C[C@H](NC(=O)NCCc1cn(C)c2cc(F)ccc12)c1ccc(N(C)C)cc1 ZINC000773456778 907375770 /nfs/dbraw/zinc/37/57/70/907375770.db2.gz WPJURXLPHKUQOH-HNNXBMFYSA-N 0 0 382.483 3.986 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)ccc1NC(=O)CC(C)C ZINC000183431444 907387034 /nfs/dbraw/zinc/38/70/34/907387034.db2.gz XROHNVBFGDVKKM-HNNXBMFYSA-N 0 0 384.476 3.752 20 10 GHCDRN CCS(=O)(=O)c1cccc(-n2c(N)c(/N=N/c3ccccc3)ccc2=N)c1 ZINC001175448932 907577011 /nfs/dbraw/zinc/57/70/11/907577011.db2.gz PSNVOGHNYLVKPF-SMLNAYLFSA-N 0 0 381.461 3.748 20 10 GHCDRN Cc1n[nH]c2cc(Nc3c(CC(N)=O)cccc3C(=O)c3ccccc3)ccc12 ZINC001175662932 907680449 /nfs/dbraw/zinc/68/04/49/907680449.db2.gz KJCCSBRIWKFKCP-UHFFFAOYSA-N 0 0 384.439 3.874 20 10 GHCDRN CC[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 ZINC000299458205 921344922 /nfs/dbraw/zinc/34/49/22/921344922.db2.gz QAQPBFJUHRDXDP-HXUWFJFHSA-N 0 0 385.483 3.737 20 10 GHCDRN CO[C@@H]1COCC[C@@H]1N(C)C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001176083422 907905361 /nfs/dbraw/zinc/90/53/61/907905361.db2.gz JXHRAEIDQAXHTG-RBUKOAKNSA-N 0 0 376.884 3.623 20 10 GHCDRN CC[C@@H](C)Oc1cc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)ccn1 ZINC000777425497 907928316 /nfs/dbraw/zinc/92/83/16/907928316.db2.gz IPFWFRNCZDJJOD-MRXNPFEDSA-N 0 0 378.476 3.991 20 10 GHCDRN CC(=O)c1cc(F)cc(CN[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)c1O ZINC001176543256 908137832 /nfs/dbraw/zinc/13/78/32/908137832.db2.gz BLXHLELFWJHDAS-IBGZPJMESA-N 0 0 387.451 3.777 20 10 GHCDRN CCOc1cc(Nc2c(CC(N)=O)cccc2C(=O)c2ccccc2)c(F)cn1 ZINC001176603886 908198221 /nfs/dbraw/zinc/19/82/21/908198221.db2.gz PGUVBNGXOBHTFZ-UHFFFAOYSA-N 0 0 393.418 3.622 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cc(C)nc(C(F)(F)F)n2)cc1 ZINC000777446899 908259380 /nfs/dbraw/zinc/25/93/80/908259380.db2.gz VXVUWHHMUSAUIW-UHFFFAOYSA-N 0 0 380.414 3.922 20 10 GHCDRN C[C@@H](NC(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000773609562 908401793 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CCCN(C(=O)c1ccccc1NC(=O)NCCc1ccc(O)c(O)c1)C(C)C ZINC000269451307 910272745 /nfs/dbraw/zinc/27/27/45/910272745.db2.gz GJLQLHYFFFSUOO-UHFFFAOYSA-N 0 0 399.491 3.723 20 10 GHCDRN O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000246404034 910283932 /nfs/dbraw/zinc/28/39/32/910283932.db2.gz QGFHTTDFIVMBCP-WENLIBGGSA-N 0 0 392.499 3.811 20 10 GHCDRN COC(=O)c1c(CN2Cc3ccccc3OC[C@@H]2C)c2cc(F)ccc2n1C ZINC001180812433 910380423 /nfs/dbraw/zinc/38/04/23/910380423.db2.gz ZQVQUVJWMUIFPT-AWEZNQCLSA-N 0 0 382.435 3.887 20 10 GHCDRN COC(=O)CCCN1C(=O)/C(=C/c2cc3cc(OC)ccc3o2)SC1=S ZINC000270576598 910616101 /nfs/dbraw/zinc/61/61/01/910616101.db2.gz DCXCUMMAZUREGB-GDNBJRDFSA-N 0 0 391.470 3.596 20 10 GHCDRN COc1c([O-])c(C[N@@H+]2CCC[C@@H](N(C)c3ccc(C)cc3)C2)ccc1[N+](=O)[O-] ZINC001181514575 910815192 /nfs/dbraw/zinc/81/51/92/910815192.db2.gz LBJVWRSSDPFNQX-GOSISDBHSA-N 0 0 385.464 3.718 20 10 GHCDRN COC1(CO)CCN(CC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)CC1 ZINC000773945874 910980549 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1032471905 /nfs/dbraw/zinc/47/19/05/1032471905.db2.gz KSTUMMRNPRRARZ-KSSFIOAISA-N 0 0 391.309 3.842 20 10 GHCDRN COc1c(C)cnc(CNC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1C ZINC001221599273 1032477271 /nfs/dbraw/zinc/47/72/71/1032477271.db2.gz AAGWGCIWVZOMIW-MRXNPFEDSA-N 0 0 384.524 3.512 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N[C@@H](CF)c3ccc(F)cc3)CC2)cc1 ZINC001221686942 1032507740 /nfs/dbraw/zinc/50/77/40/1032507740.db2.gz YLXLZTHZDUGOML-FQEVSTJZSA-N 0 0 389.446 3.813 20 10 GHCDRN C[C@@H]1[C@@H](Oc2c(O)c(O)ccc2C(=O)c2ccccc2)CN1C(=O)OC(C)(C)C ZINC001227940588 1032706778 /nfs/dbraw/zinc/70/67/78/1032706778.db2.gz MXIUNZCGSUKSGR-DYVFJYSZSA-N 0 0 399.443 3.715 20 10 GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCCc1ccc(C)s1 ZINC000777826146 1017735835 /nfs/dbraw/zinc/73/58/35/1017735835.db2.gz IHSSOCQKMCSTGZ-UHFFFAOYSA-N 0 0 395.908 3.940 20 10 GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCCc1ccccc1 ZINC000777829058 1017740963 /nfs/dbraw/zinc/74/09/63/1017740963.db2.gz UOJWQHXEJPFXAR-UHFFFAOYSA-N 0 0 375.852 3.570 20 10 GHCDRN Cc1nn(C)c(NC(=O)NCCCSc2nccs2)c1C(F)(F)F ZINC000931353014 1017963337 /nfs/dbraw/zinc/96/33/37/1017963337.db2.gz ZBVGGSYXKCBWKO-UHFFFAOYSA-N 0 0 379.433 3.508 20 10 GHCDRN CC(C)n1cc(Cl)c(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000932496325 1018360064 /nfs/dbraw/zinc/36/00/64/1018360064.db2.gz CZNXBIGQZWETDA-KRWDZBQOSA-N 0 0 392.935 3.608 20 10 GHCDRN c1cncc(N2CCC[C@@]3(CN(Cc4ccc(N5CCCC5)cc4)CCO3)C2)c1 ZINC001204327736 1032770350 /nfs/dbraw/zinc/77/03/50/1032770350.db2.gz GWNGSKLOZPKXSP-XMMPIXPASA-N 0 0 392.547 3.553 20 10 GHCDRN Brc1cnn([C@@H]2CCN(Cc3ccc(N4CCCC4)cc3)C2)c1 ZINC001204329607 1032773146 /nfs/dbraw/zinc/77/31/46/1032773146.db2.gz RPPTVDHRNMJSTL-GOSISDBHSA-N 0 0 375.314 3.693 20 10 GHCDRN Cc1noc(C(C)C)c1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000932874039 1018723591 /nfs/dbraw/zinc/72/35/91/1018723591.db2.gz OYVWOGRJYSKONM-UHFFFAOYSA-N 0 0 386.496 3.637 20 10 GHCDRN COc1cc(CN2Cc3c(Br)cccc3C[C@H]2C)cc(O)c1O ZINC001204350415 1032788935 /nfs/dbraw/zinc/78/89/35/1032788935.db2.gz HGMUBSKNDHNQRV-LLVKDONJSA-N 0 0 378.266 3.816 20 10 GHCDRN COc1ccc(Oc2cc(N3CCCc4cc(O)c(O)cc4C3)nc(C)n2)cc1 ZINC001155948573 1032808807 /nfs/dbraw/zinc/80/88/07/1032808807.db2.gz QYIQKZJNKNICFO-UHFFFAOYSA-N 0 0 393.443 3.950 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CC[C@@H](O)[C@@H](O)CC2)c(C)n1-c1cccc(C(C)C)c1 ZINC001155978385 1032822410 /nfs/dbraw/zinc/82/24/10/1032822410.db2.gz SVEKUUJMLPOGCG-FJPGZJACSA-N 0 0 384.520 3.612 20 10 GHCDRN O=C(c1ccncc1)c1ccccc1Nc1cccc(CCN2CCOCC2)c1 ZINC001204407184 1032833368 /nfs/dbraw/zinc/83/33/68/1032833368.db2.gz MJYYNMCJKMYNLH-UHFFFAOYSA-N 0 0 387.483 3.931 20 10 GHCDRN O=C(NCc1ccc(O)c(O)c1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000778918630 1019968736 /nfs/dbraw/zinc/96/87/36/1019968736.db2.gz LXRKQLFJVXHWMJ-UHFFFAOYSA-N 0 0 388.445 3.971 20 10 GHCDRN O=C(NCc1ccc(O)c(O)c1)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC000778919387 1019970366 /nfs/dbraw/zinc/97/03/66/1019970366.db2.gz CCIRHJBYMYJZBP-UHFFFAOYSA-N 0 0 392.333 3.517 20 10 GHCDRN O=C(c1cc2cc(Br)ccc2cn1)N1CCc2cccc(O)c2C1 ZINC001156153165 1032903377 /nfs/dbraw/zinc/90/33/77/1032903377.db2.gz AHNKZLIJTYWJOV-UHFFFAOYSA-N 0 0 383.245 3.901 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H](C(=O)NCc1c(O)cccc1F)C1CCCCC1 ZINC001156170282 1032911362 /nfs/dbraw/zinc/91/13/62/1032911362.db2.gz JTXUYKBLTFGNAA-KRWDZBQOSA-N 0 0 380.460 3.621 20 10 GHCDRN COc1ccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)cc1OC1CCCC1 ZINC000779482398 1020828979 /nfs/dbraw/zinc/82/89/79/1020828979.db2.gz DODSKYIHVKVKNL-FLIBITNWSA-N 0 0 383.444 3.757 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000194004286 1020957591 /nfs/dbraw/zinc/95/75/91/1020957591.db2.gz BWZJIDFJEAAGBR-CYBMUJFWSA-N 0 0 383.473 3.898 20 10 GHCDRN C[C@H](CON)Oc1cc(C[C@H](C)[C@H](C)Cc2ccc(O)c(O)c2)ccc1O ZINC001228523173 1032969621 /nfs/dbraw/zinc/96/96/21/1032969621.db2.gz SBEQSFKVLFGPGQ-QLFBSQMISA-N 0 0 375.465 3.518 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(OC[C@@H]2COCO2)c1 ZINC001228523592 1032969721 /nfs/dbraw/zinc/96/97/21/1032969721.db2.gz UQCPMPCICWACBF-RKVPGOIHSA-N 0 0 388.460 3.613 20 10 GHCDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CCc2nncn2CC1 ZINC000901329870 1021391614 /nfs/dbraw/zinc/39/16/14/1021391614.db2.gz NCKFILKXDIHJDA-PKOBYXMFSA-N 0 0 390.487 3.726 20 10 GHCDRN Oc1cccc(Cl)c1CN1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001140339223 1021446523 /nfs/dbraw/zinc/44/65/23/1021446523.db2.gz GCBPXHLLSGNWLZ-ACWOFJMJSA-N 0 0 394.924 3.698 20 10 GHCDRN Oc1cccc(Cl)c1CN1CCCn2cnc(COCc3ccco3)c2C1 ZINC001140339913 1021448073 /nfs/dbraw/zinc/44/80/73/1021448073.db2.gz PCIBLABMQXRIPE-UHFFFAOYSA-N 0 0 387.867 3.958 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H]1CCN(Cc2c(O)cccc2Cl)CC1(F)F ZINC001140341558 1021452293 /nfs/dbraw/zinc/45/22/93/1021452293.db2.gz WDNYMOHRTXDAFX-AWEZNQCLSA-N 0 0 376.831 3.780 20 10 GHCDRN COc1cc(N2CCN(Cc3cc(Br)ccc3O)CC2)ccc1F ZINC000802659171 1021517383 /nfs/dbraw/zinc/51/73/83/1021517383.db2.gz FGCTVZLMLJMDBP-UHFFFAOYSA-N 0 0 395.272 3.625 20 10 GHCDRN CCOc1cccc(CN2CCOc3ccc(Br)cc3C2)c1O ZINC000802659055 1021517843 /nfs/dbraw/zinc/51/78/43/1021517843.db2.gz DHIVQPSXACXCFM-UHFFFAOYSA-N 0 0 378.266 3.948 20 10 GHCDRN CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1Cc1ccc(Cl)cc1O ZINC001140468306 1021766117 /nfs/dbraw/zinc/76/61/17/1021766117.db2.gz FMFAUTMVXXLFJY-ZDUSSCGKSA-N 0 0 376.831 3.780 20 10 GHCDRN Oc1cc2c(cc1CN1CCC[C@@H]1c1ccc(Br)cn1)OCO2 ZINC000835077515 1021873666 /nfs/dbraw/zinc/87/36/66/1021873666.db2.gz PTWAGZLKOMFVKZ-CQSZACIVSA-N 0 0 377.238 3.616 20 10 GHCDRN Cc1ccc2ncc(CN3CCN(c4ccc(OC(F)(F)F)cc4)CC3)n2c1 ZINC001137313882 1021884553 /nfs/dbraw/zinc/88/45/53/1021884553.db2.gz YFYJHDWZWREMHG-UHFFFAOYSA-N 0 0 390.409 3.864 20 10 GHCDRN C[C@@H]1CC[C@@H](C[NH2+]Cc2cc(Br)cc(Br)c2[O-])O1 ZINC000835086089 1021884706 /nfs/dbraw/zinc/88/47/06/1021884706.db2.gz CGXNBXFEKUCREB-KCJUWKMLSA-N 0 0 379.092 3.574 20 10 GHCDRN CCSCc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000835103790 1021894077 /nfs/dbraw/zinc/89/40/77/1021894077.db2.gz MVDVGAULTDYLOD-UHFFFAOYSA-N 0 0 397.544 3.577 20 10 GHCDRN CC(C)Oc1cccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000835246148 1021981818 /nfs/dbraw/zinc/98/18/18/1021981818.db2.gz FOAVZTOMEOBXCZ-UHFFFAOYSA-N 0 0 397.519 3.916 20 10 GHCDRN Cc1cc([C@H]2CCCN2CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)no1 ZINC000827332976 1022052422 /nfs/dbraw/zinc/05/24/22/1022052422.db2.gz WEQGHKQUETWSDM-LJQANCHMSA-N 0 0 382.439 3.944 20 10 GHCDRN COCc1ccccc1-c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1 ZINC000680708356 1022209518 /nfs/dbraw/zinc/20/95/18/1022209518.db2.gz TWXBPEHCPKLVRT-UHFFFAOYSA-N 0 0 391.452 3.766 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Cc2ccccc2OCc2ccncc2)c1 ZINC001137473420 1022334586 /nfs/dbraw/zinc/33/45/86/1022334586.db2.gz IXHHFBZFXDGHNW-INIZCTEOSA-N 0 0 392.455 3.795 20 10 GHCDRN CC(C)COC[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccco1 ZINC000725867344 1022390763 /nfs/dbraw/zinc/39/07/63/1022390763.db2.gz IGMLAWZCWDTULF-QGZVFWFLSA-N 0 0 377.460 3.698 20 10 GHCDRN CCN(C(=O)/C=C/c1ccc(C)nc1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000754199376 1022533722 /nfs/dbraw/zinc/53/37/22/1022533722.db2.gz BSYLZFYTHJIZFJ-IZZDOVSWSA-N 0 0 398.406 3.750 20 10 GHCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CC[C@H](CCCO)C1 ZINC000836092882 1022630728 /nfs/dbraw/zinc/63/07/28/1022630728.db2.gz BKGSWZYNXDWGBM-INIZCTEOSA-N 0 0 380.448 3.662 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)NCc1cc(C2CC2)ccc1F ZINC000836248828 1022769143 /nfs/dbraw/zinc/76/91/43/1022769143.db2.gz KGUXYKCYUXKFLY-UHFFFAOYSA-N 0 0 383.467 3.539 20 10 GHCDRN C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nc2ccccc2s1 ZINC000754705485 1022844061 /nfs/dbraw/zinc/84/40/61/1022844061.db2.gz OSNJGGVURNIUEX-HNNXBMFYSA-N 0 0 382.533 3.672 20 10 GHCDRN COc1cc2c(cc1Cl)CN(C(=O)NCc1ccc(N3CC=CC3)cc1)CC2 ZINC000836319527 1022868528 /nfs/dbraw/zinc/86/85/28/1022868528.db2.gz CAXQAPMEGOFIMF-UHFFFAOYSA-N 0 0 397.906 3.993 20 10 GHCDRN COc1cc(F)cc(C[C@@H](C)NC(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000836320414 1022869575 /nfs/dbraw/zinc/86/95/75/1022869575.db2.gz KREIOENHUGSYCL-MRXNPFEDSA-N 0 0 383.467 3.641 20 10 GHCDRN Cc1cnc(CC[N@@H+](C)Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])s1 ZINC000754791966 1022900041 /nfs/dbraw/zinc/90/00/41/1022900041.db2.gz GILAJKUKFCIRPU-UHFFFAOYSA-N 0 0 382.485 3.768 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)NCC3=CCOCC3)cc2Cl)C1 ZINC000836444122 1022976749 /nfs/dbraw/zinc/97/67/49/1022976749.db2.gz LSDYAXCEAIBFQN-OAHLLOKOSA-N 0 0 377.916 3.722 20 10 GHCDRN COc1cc(CCNC(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1Cl ZINC000836495912 1023031595 /nfs/dbraw/zinc/03/15/95/1023031595.db2.gz UXQAOBQFYHEIPV-UHFFFAOYSA-N 0 0 375.900 3.799 20 10 GHCDRN CC(C)[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 ZINC000755128513 1023085727 /nfs/dbraw/zinc/08/57/27/1023085727.db2.gz WSCWBXVQLVBSAX-MRXNPFEDSA-N 0 0 399.457 3.730 20 10 GHCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(C(F)F)c2Cl)cc1F ZINC000755226075 1023142235 /nfs/dbraw/zinc/14/22/35/1023142235.db2.gz CFNMRXIQBOWKRU-UHFFFAOYSA-N 0 0 399.800 3.738 20 10 GHCDRN C[C@@H](CCCC(F)(F)F)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000755227886 1023143353 /nfs/dbraw/zinc/14/33/53/1023143353.db2.gz NHLXCNOEXTZXJV-ZDUSSCGKSA-N 0 0 391.409 3.583 20 10 GHCDRN COC[C@H](CNC(=O)N[C@@H](C)c1cc(OC)ccc1O)c1ccc(Cl)cc1 ZINC000836583739 1023145923 /nfs/dbraw/zinc/14/59/23/1023145923.db2.gz RBMIDPZOMZJPOB-ZFWWWQNUSA-N 0 0 392.883 3.845 20 10 GHCDRN COc1cccc([C@@H]2C[C@H]2NC(=O)NCc2cccc(Br)c2O)c1 ZINC000836636260 1023198461 /nfs/dbraw/zinc/19/84/61/1023198461.db2.gz HAPIXJOCBZUNSS-GOEBONIOSA-N 0 0 391.265 3.519 20 10 GHCDRN CC(=O)N(c1ccc(NC(=O)NCc2ccc3c(c2)CCCN3C)cc1)C1CC1 ZINC000836701893 1023273775 /nfs/dbraw/zinc/27/37/75/1023273775.db2.gz JCGWJIRHCHJQOF-UHFFFAOYSA-N 0 0 392.503 3.906 20 10 GHCDRN Cc1csc([C@H](NC(=O)NCc2ccc(N(C)C)cc2C)C(F)(F)F)n1 ZINC000836704782 1023279767 /nfs/dbraw/zinc/27/97/67/1023279767.db2.gz DFXUHQPFEOBQNW-AWEZNQCLSA-N 0 0 386.443 3.929 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](c2nc(C)cs2)C(F)(F)F)c1 ZINC000836708422 1023283343 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C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1cc(Br)cc(Cl)c1[O-] ZINC000756351844 1023601332 /nfs/dbraw/zinc/60/13/32/1023601332.db2.gz ORFDDWWVLOOOOG-SECBINFHSA-N 0 0 383.673 3.758 20 10 GHCDRN Cc1ccc([C@@H](CN2CCOCC2)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756360412 1023606440 /nfs/dbraw/zinc/60/64/40/1023606440.db2.gz UHMWHTBIMFRKPZ-FOIQADDNSA-N 0 0 376.447 3.703 20 10 GHCDRN C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cc(Br)cc(F)c1[O-] ZINC000756361503 1023606604 /nfs/dbraw/zinc/60/66/04/1023606604.db2.gz JWBWAVQIKKKYEK-JTQLQIEISA-N 0 0 382.229 3.916 20 10 GHCDRN CSCC[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1nnc2ccccn21 ZINC000756364967 1023608073 /nfs/dbraw/zinc/60/80/73/1023608073.db2.gz MFGBZXYEGGXICO-XHDPSFHLSA-N 0 0 378.448 3.858 20 10 GHCDRN CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756459612 1023662630 /nfs/dbraw/zinc/66/26/30/1023662630.db2.gz MYHUSUAFBHBHTN-CYBMUJFWSA-N 0 0 398.475 3.550 20 10 GHCDRN CCCCNC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])cc1 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ZINC000840558456 1027614841 /nfs/dbraw/zinc/61/48/41/1027614841.db2.gz YNSLJQWBBVSLPN-OAHLLOKOSA-N 0 0 378.476 3.780 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1c[nH]cc1-c1ccccc1 ZINC001141926516 1027678620 /nfs/dbraw/zinc/67/86/20/1027678620.db2.gz IHGCQVGTAYRRLO-UHFFFAOYSA-N 0 0 397.425 3.727 20 10 GHCDRN CC(C)C[C@@H](C(N)=O)C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000840676817 1027723448 /nfs/dbraw/zinc/72/34/48/1027723448.db2.gz ALDCWPFYMZUOBT-SFHVURJKSA-N 0 0 396.447 3.731 20 10 GHCDRN COc1ccc(-c2ccccc2C)cc1/C=C1\SC(N2CCOCC2)=NC1=O ZINC000840715182 1027754099 /nfs/dbraw/zinc/75/40/99/1027754099.db2.gz PIJNHRGZFJVQSR-ZHZULCJRSA-N 0 0 394.496 3.973 20 10 GHCDRN COc1c[nH+]ccc1Nc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC001211263551 1027870967 /nfs/dbraw/zinc/87/09/67/1027870967.db2.gz BTVWJRRHWMAVOK-QURGRASLSA-N 0 0 384.417 3.918 20 10 GHCDRN Cc1ccc(NC(=S)NCc2cc(F)c(N3CCOCC3)c(F)c2)c(C)c1 ZINC000840842320 1027875681 /nfs/dbraw/zinc/87/56/81/1027875681.db2.gz VOJCSRKWZPQUAL-UHFFFAOYSA-N 0 0 391.487 3.905 20 10 GHCDRN COc1c([O-])c(C[N@@H+]2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000840977488 1028016742 /nfs/dbraw/zinc/01/67/42/1028016742.db2.gz UMSPYWMDYDDVCG-AWEZNQCLSA-N 0 0 394.468 3.643 20 10 GHCDRN C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)NCCc2ccc(N)cc2)C1 ZINC000841031220 1028057614 /nfs/dbraw/zinc/05/76/14/1028057614.db2.gz WNQUAAQXJUOMLO-CALCHBBNSA-N 0 0 394.519 3.751 20 10 GHCDRN CCC(C)(C)[C@@H]1CCc2nc(NC(=O)C(=O)Nc3ccc(N)cc3)sc2C1 ZINC000841150984 1028219632 /nfs/dbraw/zinc/21/96/32/1028219632.db2.gz ZDMXZNQREVQFOZ-GFCCVEGCSA-N 0 0 386.521 3.844 20 10 GHCDRN Nc1ccc(CCNC(=O)C(=O)Nc2ccc(OCC3CCCCC3)cc2)cc1 ZINC000841175992 1028248152 /nfs/dbraw/zinc/24/81/52/1028248152.db2.gz XUCPQQRNPKXWKY-UHFFFAOYSA-N 0 0 395.503 3.525 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3cn(-c4cnccn4)cn3)n2)cc1 ZINC001213572996 1028274241 /nfs/dbraw/zinc/27/42/41/1028274241.db2.gz ZSBWJRYJXDROLY-UHFFFAOYSA-N 0 0 383.415 3.787 20 10 GHCDRN COc1ncccc1NCc1cc(Br)cc(Br)c1O ZINC001461367624 1069521107 /nfs/dbraw/zinc/52/11/07/1069521107.db2.gz ZEQIWARMIQLZNK-UHFFFAOYSA-N 0 0 388.059 3.933 20 10 GHCDRN Nc1ccc(NC(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)cc1 ZINC000841300250 1028390999 /nfs/dbraw/zinc/39/09/99/1028390999.db2.gz NYBOCXZSGUMJJI-UHFFFAOYSA-N 0 0 377.366 3.813 20 10 GHCDRN CCOc1ccc(CN(CCCn2ccnc2)C(=O)Nc2ccc(N)cc2)cc1 ZINC000841302235 1028393864 /nfs/dbraw/zinc/39/38/64/1028393864.db2.gz QMOVMZFVQNMYSA-UHFFFAOYSA-N 0 0 393.491 3.988 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Nc3ccc4c(c3)CCCN4)CC2)cc1 ZINC000841302972 1028395533 /nfs/dbraw/zinc/39/55/33/1028395533.db2.gz HTRLZXCIOLQOQY-UHFFFAOYSA-N 0 0 380.492 3.798 20 10 GHCDRN COCCNc1cc(-c2nc(-c3ccc(-n4c(C)ccc4C)cc3)no2)ncn1 ZINC001214346374 1028685912 /nfs/dbraw/zinc/68/59/12/1028685912.db2.gz CNJHTBVKUIXLDJ-UHFFFAOYSA-N 0 0 390.447 3.659 20 10 GHCDRN COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001142336108 1028716450 /nfs/dbraw/zinc/71/64/50/1028716450.db2.gz UJRGWRRYEXRMFK-LJQANCHMSA-N 0 0 396.447 3.679 20 10 GHCDRN Cc1ccnn1-c1ccccc1NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001461427295 1069544536 /nfs/dbraw/zinc/54/45/36/1069544536.db2.gz BMKHZMCTQPYKDG-UHFFFAOYSA-N 0 0 379.483 3.684 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1cccc([C@@H]2CCC(=O)N2)c1 ZINC000841762411 1028919749 /nfs/dbraw/zinc/91/97/49/1028919749.db2.gz XHACSLWRTWAGCM-IERDGZPVSA-N 0 0 394.519 3.765 20 10 GHCDRN COc1cccc(C[C@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)C(=O)[O-])c1 ZINC000841820126 1028966543 /nfs/dbraw/zinc/96/65/43/1028966543.db2.gz NHFXYQDLNTZVBN-HXUWFJFHSA-N 0 0 382.504 3.719 20 10 GHCDRN Nc1ccc(CCNC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000841911522 1028995729 /nfs/dbraw/zinc/99/57/29/1028995729.db2.gz OKDHYCXBVFSALK-RZDIXWSQSA-N 0 0 388.309 3.819 20 10 GHCDRN Cn1cnc2c1[C@@H](COCC1CCCC1)CN(Cc1cc(F)c(F)cc1O)C2 ZINC001142513035 1029017144 /nfs/dbraw/zinc/01/71/44/1029017144.db2.gz UKRKHMFEHHAJHG-MRXNPFEDSA-N 0 0 391.462 3.710 20 10 GHCDRN O=C(c1ccsc1)N1CCC[C@]2(CC[N@@H+](Cc3cc(F)c(F)cc3[O-])C2)C1 ZINC001142517585 1029022063 /nfs/dbraw/zinc/02/20/63/1029022063.db2.gz SKOKYMFBOYJUEJ-HXUWFJFHSA-N 0 0 392.471 3.860 20 10 GHCDRN Oc1cc(F)c(F)cc1CN1CCN(Cc2cccc(Br)c2)CC1 ZINC001142520911 1029023630 /nfs/dbraw/zinc/02/36/30/1029023630.db2.gz RHJMNJPXAXZCGV-UHFFFAOYSA-N 0 0 397.263 3.751 20 10 GHCDRN O=C(NCc1ccc2c(c1)CCCN2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000842000777 1029028798 /nfs/dbraw/zinc/02/87/98/1029028798.db2.gz KAPRHVOJJFATJC-FQEVSTJZSA-N 0 0 395.503 3.641 20 10 GHCDRN Oc1cccc(-c2nc(-c3cc(F)ccc3I)no2)c1O ZINC001215145797 1029058818 /nfs/dbraw/zinc/05/88/18/1029058818.db2.gz JUXVXHMGNXTTFE-UHFFFAOYSA-N 0 0 398.131 3.559 20 10 GHCDRN COc1cc(OCc2ccccc2)ccc1N(c1ccc(N)cc1)S(C)(=O)=O ZINC001215227595 1029102350 /nfs/dbraw/zinc/10/23/50/1029102350.db2.gz SILKHJSLQKFHTH-UHFFFAOYSA-N 0 0 398.484 3.954 20 10 GHCDRN COc1cc(Cl)cc(CN[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1O ZINC000401743212 1029175391 /nfs/dbraw/zinc/17/53/91/1029175391.db2.gz IFIGJBZBQOPDOF-LBPRGKRZSA-N 0 0 398.809 3.599 20 10 GHCDRN COc1cc(Cl)cc(CN[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1O ZINC000401743208 1029175539 /nfs/dbraw/zinc/17/55/39/1029175539.db2.gz IFIGJBZBQOPDOF-GFCCVEGCSA-N 0 0 398.809 3.599 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3cc(C)n(-c4ccc(C)cc4)n3)C2)cc1 ZINC001461493818 1069576832 /nfs/dbraw/zinc/57/68/32/1069576832.db2.gz IGJZLCJRWDZCRJ-SFHVURJKSA-N 0 0 390.487 3.506 20 10 GHCDRN COc1cc(C(N)=O)ccc1Nc1ccc(NC(=O)Nc2ccc(N)cc2)cc1 ZINC001215640443 1029320741 /nfs/dbraw/zinc/32/07/41/1029320741.db2.gz KZEMMETYMYRYPP-UHFFFAOYSA-N 0 0 391.431 3.764 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)Cc3nc(C4CCCC4)cs3)C2)cc1 ZINC001142801732 1029487825 /nfs/dbraw/zinc/48/78/25/1029487825.db2.gz HXBXMCBYEYAFCT-MRXNPFEDSA-N 0 0 399.560 3.995 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)Cc3nsc4ccccc34)C2)cc1 ZINC000842873403 1029650022 /nfs/dbraw/zinc/65/00/22/1029650022.db2.gz HWLIZQZTVIZVPY-OAHLLOKOSA-N 0 0 382.485 3.917 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3cccc(Cn4ccnc4)c3)C2)cc1 ZINC000842874188 1029651759 /nfs/dbraw/zinc/65/17/59/1029651759.db2.gz AASVGVOSHQQCIV-IBGZPJMESA-N 0 0 391.471 3.623 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@@H]3CCC(=O)c4ccccc43)C2)cc1 ZINC000842876273 1029654840 /nfs/dbraw/zinc/65/48/40/1029654840.db2.gz RVYJGZXAHWCKOT-IIBYNOLFSA-N 0 0 379.456 3.825 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3ncccc3C(F)(F)F)C2)cc1 ZINC000842877859 1029656102 /nfs/dbraw/zinc/65/61/02/1029656102.db2.gz DNGYCERAPGUITG-ZDUSSCGKSA-N 0 0 380.366 3.792 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)c3cccc(-c4cnn(C)c4)c3)C2)cc1 ZINC000842877900 1029656465 /nfs/dbraw/zinc/65/64/65/1029656465.db2.gz DWMDYUNKQFGQOH-QGZVFWFLSA-N 0 0 391.471 3.779 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)c3ccc(C(=O)NC(C)C)cc3)C2)cc1 ZINC000842879935 1029658773 /nfs/dbraw/zinc/65/87/73/1029658773.db2.gz SVPJFTVDXJIRMI-QGZVFWFLSA-N 0 0 396.487 3.517 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)Cc3c(C)nn(C(F)F)c3C)C2)cc1 ZINC000842880210 1029659311 /nfs/dbraw/zinc/65/93/11/1029659311.db2.gz YSKGQILMIXANJX-OAHLLOKOSA-N 0 0 393.434 3.516 20 10 GHCDRN CC[C@@H]([NH2+]C[C@@H](Cc1ccc(F)cc1C)C(=O)NC)c1ccc(F)cc1[O-] ZINC000842885843 1029662896 /nfs/dbraw/zinc/66/28/96/1029662896.db2.gz QDZCJXDEFROFAO-DNVCBOLYSA-N 0 0 376.447 3.624 20 10 GHCDRN CNS(=O)(=O)c1ccccc1Nc1ccccc1C(=O)c1ccc(OC)cc1 ZINC001216536540 1029675528 /nfs/dbraw/zinc/67/55/28/1029675528.db2.gz CHFAYRPWQOWVBC-UHFFFAOYSA-N 0 0 396.468 3.578 20 10 GHCDRN Cc1cc(C(=O)C[N@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000842935872 1029697802 /nfs/dbraw/zinc/69/78/02/1029697802.db2.gz ILOJAZZMGPQRFM-YCRPNKLZSA-N 0 0 382.504 3.936 20 10 GHCDRN NC(=O)CCC(=O)Nc1ccc(N(c2ccc(N)cc2)c2ccc(N)cc2)cc1 ZINC001142949509 1029727720 /nfs/dbraw/zinc/72/77/20/1029727720.db2.gz MVNMMEYGDBPFHX-UHFFFAOYSA-N 0 0 389.459 3.525 20 10 GHCDRN Nc1ccc(Cc2noc(-c3ccc(S(=O)(=O)C4CCCC4)cc3)n2)cc1 ZINC000843162019 1029835755 /nfs/dbraw/zinc/83/57/55/1029835755.db2.gz SPFAELIRJPJDBJ-UHFFFAOYSA-N 0 0 383.473 3.626 20 10 GHCDRN CCOc1ccccc1C(=O)N1CCC[C@H]1c1nc(Cc2ccc(N)cc2)no1 ZINC000843161572 1029835784 /nfs/dbraw/zinc/83/57/84/1029835784.db2.gz XTYHNJULMHNPTC-SFHVURJKSA-N 0 0 392.459 3.619 20 10 GHCDRN CC(C)(C)c1ccc(C(=O)NCCc2nc(Cc3ccc(N)cc3)no2)cc1 ZINC000843162324 1029836853 /nfs/dbraw/zinc/83/68/53/1029836853.db2.gz WMEKKJISBPOENF-UHFFFAOYSA-N 0 0 378.476 3.513 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NC[C@@]2(C)CCCC[C@H]2O)ccc1C ZINC001149147268 1030075760 /nfs/dbraw/zinc/07/57/60/1030075760.db2.gz JVSCAKXVGHBEKZ-FYYLOGMGSA-N 0 0 382.504 3.886 20 10 GHCDRN N#[N+][N-]S(=O)(=O)c1ccc(-c2nc(-c3ncccc3C(F)(F)F)no2)cc1 ZINC001217093556 1030155305 /nfs/dbraw/zinc/15/53/05/1030155305.db2.gz IJIWIIQGLBVUBN-UHFFFAOYSA-N 0 0 396.310 3.816 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)c(C)n1-c1cccc(C)c1 ZINC001149534454 1030212173 /nfs/dbraw/zinc/21/21/73/1030212173.db2.gz LTIXGOZYBORRFG-DHIUTWEWSA-N 0 0 395.547 3.776 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)C[C@@H](C)Cc3cccc(OC)c3)C2)cc1 ZINC001276832194 1030287131 /nfs/dbraw/zinc/28/71/31/1030287131.db2.gz PKONNTSSIVNDGA-AZUAARDMSA-N 0 0 396.531 3.915 20 10 GHCDRN O=C(c1csc(-c2ncc[nH]2)n1)N(Cc1ccco1)Cc1ccccc1O ZINC001149857822 1030329651 /nfs/dbraw/zinc/32/96/51/1030329651.db2.gz PYDLYJFBNIWBRQ-UHFFFAOYSA-N 0 0 380.429 3.674 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)c1 ZINC001461666992 1069667842 /nfs/dbraw/zinc/66/78/42/1069667842.db2.gz IXKXWCFJHWWGPC-DOMZBBRYSA-N 0 0 399.329 3.951 20 10 GHCDRN CC[C@H](C)N(OC)C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC001150313813 1030485868 /nfs/dbraw/zinc/48/58/68/1030485868.db2.gz LWWRPRGROIPYRX-CMHHUMAZSA-N 0 0 396.509 3.606 20 10 GHCDRN CC(C)(C)OC(=O)CCCCCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001223366243 1030539245 /nfs/dbraw/zinc/53/92/45/1030539245.db2.gz KNVPTVVYHCLBQN-UHFFFAOYSA-N 0 0 389.540 3.988 20 10 GHCDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC001461690248 1069680990 /nfs/dbraw/zinc/68/09/90/1069680990.db2.gz YYWGYDLLTMRHIN-VXFNFUGZSA-N 0 0 393.119 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CC[C@H]1C(=O)NCCCN1C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC001472014614 1073305819 /nfs/dbraw/zinc/30/58/19/1073305819.db2.gz DLBFVFFUHAKYJC-FQEVSTJZSA-N 0 0 393.491 3.909 20 10 GHCDRN COc1ccc(CCNC(=O)NCc2cc(C)n(-c3ccccc3)c2C)cn1 ZINC001479078759 1079095635 /nfs/dbraw/zinc/09/56/35/1079095635.db2.gz ZDSYWAFACAFGDP-UHFFFAOYSA-N 0 0 378.476 3.540 20 10 GHCDRN CN1C(=O)C[C@@H](C(=O)NCc2cccc(Cl)c2O)[C@H]1c1cccc(Cl)c1 ZINC001472316886 1073418124 /nfs/dbraw/zinc/41/81/24/1073418124.db2.gz LCAJXCPFUYBJKA-RHSMWYFYSA-N 0 0 393.270 3.535 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2cn(-c3ccccc3)nn2)cc1 ZINC001472435999 1073488663 /nfs/dbraw/zinc/48/86/63/1073488663.db2.gz VXCOKJZYAKOEDZ-UHFFFAOYSA-N 0 0 399.454 3.669 20 10 GHCDRN C[C@H]1CCCC[C@@H]1N(C)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001473382953 1073942747 /nfs/dbraw/zinc/94/27/47/1073942747.db2.gz BRCIULNHIJCNOU-BTYIYWSLSA-N 0 0 390.483 3.911 20 10 GHCDRN COc1cccc(CC[NH2+]Cc2cc(Br)cc(F)c2[O-])c1OC ZINC001473940201 1074211951 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/nfs/dbraw/zinc/10/12/32/870101232.db2.gz ZPLYUTLTDUUYDN-UHFFFAOYSA-N 0 0 376.478 3.644 20 10 GHCDRN COC(=O)C[C@](C)(NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1ccccn1 ZINC000776945809 882386759 /nfs/dbraw/zinc/38/67/59/882386759.db2.gz WSPGISPWYOEAQG-QHCPKHFHSA-N 0 0 391.471 3.697 20 10 GHCDRN CC[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775527441 870365638 /nfs/dbraw/zinc/36/56/38/870365638.db2.gz YICHHLRMGLOTBK-AWEZNQCLSA-N 0 0 380.337 3.955 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3cc(F)c(Cl)nc3Cl)C2)cc1 ZINC000857635405 882415840 /nfs/dbraw/zinc/41/58/40/882415840.db2.gz TXWJKNSDELKXRQ-JTQLQIEISA-N 0 0 384.238 3.545 20 10 GHCDRN NS(=O)(=O)c1ccc(NCc2ccc(N3CCCC3)cc2)cc1C(F)(F)F ZINC000746389834 870595590 /nfs/dbraw/zinc/59/55/90/870595590.db2.gz QZYHONUQHPOHBU-UHFFFAOYSA-N 0 0 399.438 3.565 20 10 GHCDRN CCCN(C)c1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000746393425 870601224 /nfs/dbraw/zinc/60/12/24/870601224.db2.gz HPHWCKCCQCKHBW-UHFFFAOYSA-N 0 0 399.510 3.563 20 10 GHCDRN COc1cc(C)c(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OC ZINC000065450331 870643009 /nfs/dbraw/zinc/64/30/09/870643009.db2.gz NMHPUSYQUUQDHS-INIZCTEOSA-N 0 0 399.491 3.732 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000746423823 870651535 /nfs/dbraw/zinc/65/15/35/870651535.db2.gz YPVPMOGGIWVWLY-UHFFFAOYSA-N 0 0 386.443 3.878 20 10 GHCDRN COc1ccc(Br)c(CN2CCCc3cc(O)c(O)cc3C2)c1 ZINC001137910953 870718288 /nfs/dbraw/zinc/71/82/88/870718288.db2.gz XZEOBHVZVZGKML-UHFFFAOYSA-N 0 0 378.266 3.817 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCCc4cccnc43)cc2F)C[C@@H](C)O1 ZINC000766413276 870724917 /nfs/dbraw/zinc/72/49/17/870724917.db2.gz BUVBPXKFOBGDTA-MDZRGWNJSA-N 0 0 397.494 3.571 20 10 GHCDRN CC[C@@H]1CCCC[C@@H]1C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000793813738 882445194 /nfs/dbraw/zinc/44/51/94/882445194.db2.gz CZASVLVMKKIHHF-AEFFLSMTSA-N 0 0 390.524 3.577 20 10 GHCDRN COc1cc(C(=O)Nc2c(F)cc(F)c(F)c2Br)cc(O)c1O ZINC001193096844 870904135 /nfs/dbraw/zinc/90/41/35/870904135.db2.gz BUYIVEMCDVIDHN-UHFFFAOYSA-N 0 0 392.127 3.539 20 10 GHCDRN CN(C)c1ccc(-c2nc(C(=O)N3CCC(=O)[C@H]4CCCC[C@@H]43)cs2)cc1 ZINC001193161011 870926543 /nfs/dbraw/zinc/92/65/43/870926543.db2.gz ITAZXKLGSBXQLA-WMZOPIPTSA-N 0 0 383.517 3.850 20 10 GHCDRN Cc1c(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cnn1CC(C)C ZINC000766526800 870947625 /nfs/dbraw/zinc/94/76/25/870947625.db2.gz DLACDRDWWAUSNV-INIZCTEOSA-N 0 0 385.512 3.567 20 10 GHCDRN COC(=O)c1sc2nc(C)ccc2c1NC(=O)c1ccc(O)c(O)c1Cl ZINC001193220906 870953005 /nfs/dbraw/zinc/95/30/05/870953005.db2.gz ZNCVXNLTMHKZCY-UHFFFAOYSA-N 0 0 392.820 3.708 20 10 GHCDRN CC(C)[C@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C1CC1 ZINC000857673801 882459997 /nfs/dbraw/zinc/45/99/97/882459997.db2.gz XNWGKFWDLUIJSR-SFHVURJKSA-N 0 0 392.411 3.535 20 10 GHCDRN CN(C)c1ccc(-c2nc(C(=O)N[C@@H]3COCc4ccccc43)cs2)cc1 ZINC001193179220 870954877 /nfs/dbraw/zinc/95/48/77/870954877.db2.gz JVVLRERNGRLWRH-GOSISDBHSA-N 0 0 379.485 3.877 20 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ZINC000181581479 871209725 /nfs/dbraw/zinc/20/97/25/871209725.db2.gz IAGQILGYVJDZNC-HNNXBMFYSA-N 0 0 394.431 3.595 20 10 GHCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000766645405 871381598 /nfs/dbraw/zinc/38/15/98/871381598.db2.gz UCXGGLMGZBZYPR-SFHVURJKSA-N 0 0 388.431 3.957 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)c3cnc(-c4cnn(C)c4)s3)cc2)CC1 ZINC000069705379 871409370 /nfs/dbraw/zinc/40/93/70/871409370.db2.gz MIRZXAARLFJFKA-UHFFFAOYSA-N 0 0 395.532 3.710 20 10 GHCDRN CCCOC(=O)N1CCc2c(Cl)c(O)c(O)cc2[C@@H](c2ccc(O)cc2)C1 ZINC001194113574 871484632 /nfs/dbraw/zinc/48/46/32/871484632.db2.gz WUAHENJPGKTBOJ-MRXNPFEDSA-N 0 0 391.851 3.993 20 10 GHCDRN CO[C@H]1CCN(S(=O)(=O)c2ccc(/N=N/c3ccc(N(C)C)cc3)cc2)C1 ZINC001194193749 871549485 /nfs/dbraw/zinc/54/94/85/871549485.db2.gz CYGUSOXWVPZTEG-MKSIGINJSA-N 0 0 388.493 3.577 20 10 GHCDRN CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)N[C@@H]3CC3(F)F)cc2)cc1 ZINC001194207044 871554635 /nfs/dbraw/zinc/55/46/35/871554635.db2.gz JJPYOBXTHMGILR-FVGNFYTDSA-N 0 0 380.420 3.854 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N(C)Cc3ccc(OC)c(C)c3)CC2)cc1 ZINC000103314015 871681802 /nfs/dbraw/zinc/68/18/02/871681802.db2.gz WDLQWWYRUMMSJX-UHFFFAOYSA-N 0 0 397.519 3.823 20 10 GHCDRN C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1CCC[C@@](C)(F)C1 ZINC001194600584 871827292 /nfs/dbraw/zinc/82/72/92/871827292.db2.gz WIRKNQCTJLNANM-QKFKETGDSA-N 0 0 394.446 3.613 20 10 GHCDRN O=C(NCCCSc1nccs1)Nc1nc(-c2ccccc2)ns1 ZINC000115633178 882557884 /nfs/dbraw/zinc/55/78/84/882557884.db2.gz XIJIEKJFJMQJFS-UHFFFAOYSA-N 0 0 377.520 3.966 20 10 GHCDRN O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1cnccc1C(F)(F)F ZINC000785489159 871976940 /nfs/dbraw/zinc/97/69/40/871976940.db2.gz RRVGKNQCNIXARI-UHFFFAOYSA-N 0 0 399.438 3.569 20 10 GHCDRN CC(=O)N(C)C1CCN(CC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)CC1 ZINC000103470183 872027621 /nfs/dbraw/zinc/02/76/21/872027621.db2.gz OPBVRXNTRJLCIC-UHFFFAOYSA-N 0 0 395.547 3.836 20 10 GHCDRN CCCC(=O)Nc1cccc(CNC(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000115662407 882583792 /nfs/dbraw/zinc/58/37/92/882583792.db2.gz MTNSFZGOZOMWSL-UHFFFAOYSA-N 0 0 382.508 3.799 20 10 GHCDRN C[C@@H](NC(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1)c1ccc(N(C)C)cc1 ZINC000775635948 872159550 /nfs/dbraw/zinc/15/95/50/872159550.db2.gz FSYWOZNXAQKZAT-IAGOWNOFSA-N 0 0 382.508 3.860 20 10 GHCDRN Cc1nn(C)c2ncc(/C=C3\CCn4c3nc3cc(Cl)ccc3c4=O)cc12 ZINC000508606066 872265495 /nfs/dbraw/zinc/26/54/95/872265495.db2.gz WTGDQEAXRGIGQZ-NTUHNPAUSA-N 0 0 377.835 3.584 20 10 GHCDRN O=C(c1ccc(Cl)cc1)N1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775648210 872270647 /nfs/dbraw/zinc/27/06/47/872270647.db2.gz REMMHTMASSHVFE-UHFFFAOYSA-N 0 0 383.250 3.796 20 10 GHCDRN Cc1noc(C)c1CO[C@@H]1CCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000526927201 872287380 /nfs/dbraw/zinc/28/73/80/872287380.db2.gz FVGMNZGMRFSOBD-QGZVFWFLSA-N 0 0 396.491 3.592 20 10 GHCDRN Cc1cc(N2CCC[C@H](NC(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)n(C)n1 ZINC000767136903 872290898 /nfs/dbraw/zinc/29/08/98/872290898.db2.gz GWQUJSHSBCNDAB-FQEVSTJZSA-N 0 0 391.519 3.535 20 10 GHCDRN COc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(C)c1 ZINC000767136696 872291077 /nfs/dbraw/zinc/29/10/77/872291077.db2.gz HCJKXBTUWADAHJ-FQEVSTJZSA-N 0 0 384.476 3.600 20 10 GHCDRN O=C(c1ccccc1NN=C1C=CC(=O)C=C1)N1CC(=O)NC2(CCCC2)C1 ZINC001195276149 872299428 /nfs/dbraw/zinc/29/94/28/872299428.db2.gz ZZSWYOBGDRLRTM-WCWDXBQESA-N 0 0 378.432 3.692 20 10 GHCDRN Cc1cc(C(=O)N2CCOC[C@H]2c2ncon2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000767177923 872301340 /nfs/dbraw/zinc/30/13/40/872301340.db2.gz SXOOYKBWZSYDMZ-FQEVSTJZSA-N 0 0 394.475 3.814 20 10 GHCDRN O=C(NC1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1)c1ccc(F)cc1 ZINC000775650347 872351395 /nfs/dbraw/zinc/35/13/95/872351395.db2.gz YPEASUUKGAMDMI-UHFFFAOYSA-N 0 0 380.822 3.718 20 10 GHCDRN Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3cc(Cl)cc(F)c3[O-])C2)n1 ZINC000775653663 872368416 /nfs/dbraw/zinc/36/84/16/872368416.db2.gz MBZYGIAJKCLCAK-ZDUSSCGKSA-N 0 0 377.847 3.739 20 10 GHCDRN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775660981 872470181 /nfs/dbraw/zinc/47/01/81/872470181.db2.gz BZCDUZCRSZNCTB-HNNXBMFYSA-N 0 0 398.507 3.736 20 10 GHCDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1CCN(CCc2ccccn2)CC1 ZINC000775665718 872510896 /nfs/dbraw/zinc/51/08/96/872510896.db2.gz WJZIJLVSSNTDKV-UHFFFAOYSA-N 0 0 377.891 3.719 20 10 GHCDRN O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775668358 872562625 /nfs/dbraw/zinc/56/26/25/872562625.db2.gz XIVJHEQJWJDWNH-HNNXBMFYSA-N 0 0 381.810 3.720 20 10 GHCDRN C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N(C)c1ccsc1 ZINC001195669125 872575935 /nfs/dbraw/zinc/57/59/35/872575935.db2.gz FIDFMWHBZNHNKY-ZDUSSCGKSA-N 0 0 390.464 3.987 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)N[C@H]3CCO[C@H](C(C)(C)C)C3)CC2)cc1 ZINC000763570121 872615085 /nfs/dbraw/zinc/61/50/85/872615085.db2.gz FZUXACPIYGTTSQ-PXNSSMCTSA-N 0 0 389.540 3.511 20 10 GHCDRN Cn1cc(/C=C\C(=O)N2CCCN(C(=O)OC(C)(C)C)c3ccccc32)cn1 ZINC000741955191 872705235 /nfs/dbraw/zinc/70/52/35/872705235.db2.gz SIVUAVDNMLTYPW-KHPPLWFESA-N 0 0 382.464 3.612 20 10 GHCDRN CCCCC[C@H]1CCC[N@@H+]1Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-] ZINC000767763022 872818269 /nfs/dbraw/zinc/81/82/69/872818269.db2.gz QPXVDSPIKVOCMV-QFIPXVFZSA-N 0 0 388.552 3.972 20 10 GHCDRN COc1ccc(C2([NH2+]Cc3cccc(Br)c3[O-])CCOCC2)cc1 ZINC000742373204 872905017 /nfs/dbraw/zinc/90/50/17/872905017.db2.gz RPNYRXFAFJRPPG-UHFFFAOYSA-N 0 0 392.293 3.959 20 10 GHCDRN Cc1cc(CC(=O)N2CCC[C@H]2c2nncn2C)c(C)n1-c1ccc(Cl)cc1 ZINC000767900184 872945455 /nfs/dbraw/zinc/94/54/55/872945455.db2.gz GINFBHQDEJCUOF-IBGZPJMESA-N 0 0 397.910 3.782 20 10 GHCDRN CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC000742753595 873058555 /nfs/dbraw/zinc/05/85/55/873058555.db2.gz KLTKOEWOWIVWPG-LJQANCHMSA-N 0 0 383.492 3.748 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000746492674 873078525 /nfs/dbraw/zinc/07/85/25/873078525.db2.gz JBRXAKAFMGXZKM-UHFFFAOYSA-N 0 0 394.519 3.580 20 10 GHCDRN O=C(NCCc1cc(O)c(O)cc1O)c1cnc(-c2ccc(Cl)cc2)s1 ZINC001196433224 873112924 /nfs/dbraw/zinc/11/29/24/873112924.db2.gz VXQNBYAEDKMMER-UHFFFAOYSA-N 0 0 390.848 3.553 20 10 GHCDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C(=O)N1CCC(C)CC1 ZINC000768180085 873149492 /nfs/dbraw/zinc/14/94/92/873149492.db2.gz MMQJRZSTCJABGF-SFHVURJKSA-N 0 0 380.488 3.741 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1CCCN1c1ncnc2ccccc21 ZINC000527474602 873174918 /nfs/dbraw/zinc/17/49/18/873174918.db2.gz PBKAOGBWFGLJLE-OAQYLSRUSA-N 0 0 399.498 3.715 20 10 GHCDRN O=C(c1cccc(F)c1)N1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000768251395 873191000 /nfs/dbraw/zinc/19/10/00/873191000.db2.gz DKKQIPYWGVAVJT-UHFFFAOYSA-N 0 0 381.495 3.774 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)CCCC(=O)c1ccc2c(c1)OCCO2 ZINC000768253870 873192974 /nfs/dbraw/zinc/19/29/74/873192974.db2.gz NMLUZOYMNKBGJX-UHFFFAOYSA-N 0 0 397.471 3.955 20 10 GHCDRN COCCOc1ccc(C#N)cc1NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000183067126 873201209 /nfs/dbraw/zinc/20/12/09/873201209.db2.gz CYENLOBYJAERPK-UHFFFAOYSA-N 0 0 390.443 3.638 20 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/nfs/dbraw/zinc/73/80/82/882738082.db2.gz SFULVESYHHMZBG-UHFFFAOYSA-N 0 0 393.212 3.714 20 10 GHCDRN COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(Br)cc2)c(O)c1 ZINC000794379911 882739814 /nfs/dbraw/zinc/73/98/14/882739814.db2.gz UNTOITUKGSAFSI-LLVKDONJSA-N 0 0 396.306 3.960 20 10 GHCDRN CCc1c(C(=O)NCc2ccc(OC)cc2O)cnn1-c1cccc(Cl)c1 ZINC000794382337 882740758 /nfs/dbraw/zinc/74/07/58/882740758.db2.gz ACNYHZVHBLVLEK-UHFFFAOYSA-N 0 0 385.851 3.732 20 10 GHCDRN COc1ccc(CNC(=O)c2ccccc2SCc2cc(C)no2)c(O)c1 ZINC000794383076 882740787 /nfs/dbraw/zinc/74/07/87/882740787.db2.gz JNXVQKAIOGUAJX-UHFFFAOYSA-N 0 0 384.457 3.920 20 10 GHCDRN COC(=O)C1(CNS(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)CCC1 ZINC001197186855 873620440 /nfs/dbraw/zinc/62/04/40/873620440.db2.gz LIPLJAUOPSHWBP-QURGRASLSA-N 0 0 387.461 3.724 20 10 GHCDRN O=S(=O)(NCCOc1cccnc1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197188333 873621961 /nfs/dbraw/zinc/62/19/61/873621961.db2.gz VLCYEGILBPSEMU-GHVJWSGMSA-N 0 0 382.445 3.854 20 10 GHCDRN O=S(=O)(NC1CCN(CCF)CC1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197188281 873622031 /nfs/dbraw/zinc/62/20/31/873622031.db2.gz URVANRZHOQZURB-QURGRASLSA-N 0 0 390.484 3.814 20 10 GHCDRN O=S(=O)(c1ccc(/N=N/c2ccccc2)cc1)N1CCC[C@@](F)(CO)CC1 ZINC001197162321 873631209 /nfs/dbraw/zinc/63/12/09/873631209.db2.gz QOTMVWGKNUBDOQ-XJUMHSELSA-N 0 0 391.468 3.977 20 10 GHCDRN O=S(=O)(c1ccc(/N=N/c2ccccc2)cc1)N1CCN(CC(F)F)CC1 ZINC001197175889 873639014 /nfs/dbraw/zinc/63/90/14/873639014.db2.gz GJNWXZABFPHMSG-QURGRASLSA-N 0 0 394.447 3.673 20 10 GHCDRN O=C1CC[C@@]2(CCCN(S(=O)(=O)c3ccc(/N=N/c4ccccc4)cc3)C2)O1 ZINC001197176403 873640186 /nfs/dbraw/zinc/64/01/86/873640186.db2.gz UNYVHCMYKVAMEO-SQYHMDOVSA-N 0 0 399.472 3.962 20 10 GHCDRN COC(=O)C[C@H]1CCN(S(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)C1 ZINC001197178349 873641667 /nfs/dbraw/zinc/64/16/67/873641667.db2.gz FBSZYCUNFOPFHV-WGLILOHCSA-N 0 0 387.461 3.676 20 10 GHCDRN O=S(=O)(N[C@H](CO)c1cccnc1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197197126 873645515 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Cc1cc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c(C)n1-c1ccc(F)cc1 ZINC000804392742 882774472 /nfs/dbraw/zinc/77/44/72/882774472.db2.gz CZQWJMSNDIDMHZ-KDOFPFPSSA-N 0 0 398.400 3.866 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1c(F)cccc1OC ZINC000769299317 873948412 /nfs/dbraw/zinc/94/84/12/873948412.db2.gz XJCJATUXFINGEA-UHFFFAOYSA-N 0 0 382.229 3.965 20 10 GHCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)c1cccnc1OCC1CC1 ZINC001197662265 873952283 /nfs/dbraw/zinc/95/22/83/873952283.db2.gz DILQMOMBDUWRQU-JXENRQPZSA-N 0 0 388.431 3.837 20 10 GHCDRN Cc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1 ZINC000804395960 882779383 /nfs/dbraw/zinc/77/93/83/882779383.db2.gz ZEMUZPKFONKFNE-UXHICEINSA-N 0 0 388.895 3.768 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)NCc3ccc(OC)c(O)c3)c2C)cc1 ZINC000769378437 874006981 /nfs/dbraw/zinc/00/69/81/874006981.db2.gz HVHWTRHXNUIPEU-UHFFFAOYSA-N 0 0 380.444 3.747 20 10 GHCDRN COc1cc(Br)cc(CN2CCOC[C@H]2c2ccccc2)c1O ZINC000769502864 874110464 /nfs/dbraw/zinc/11/04/64/874110464.db2.gz CHLDRWNJAONIDN-INIZCTEOSA-N 0 0 378.266 3.737 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000769562668 874161994 /nfs/dbraw/zinc/16/19/94/874161994.db2.gz KWEGQUYBMTZHBQ-AEFFLSMTSA-N 0 0 388.508 3.581 20 10 GHCDRN CCN(CC)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000775830776 874273212 /nfs/dbraw/zinc/27/32/12/874273212.db2.gz CAURVSFZLGAJDX-SFHVURJKSA-N 0 0 378.875 3.754 20 10 GHCDRN CO[C@@H](C(=O)Oc1ccc2c(c1)oc(=O)cc2-c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000769741025 874276920 /nfs/dbraw/zinc/27/69/20/874276920.db2.gz AEJRGUADTYILHG-HXUWFJFHSA-N 0 0 397.383 3.945 20 10 GHCDRN COc1ccc(-c2noc(CN[C@@H](C)c3ccc(N(C)C)cc3)n2)c(OC)c1 ZINC000775835583 874324485 /nfs/dbraw/zinc/32/44/85/874324485.db2.gz GNOMCQNYKAUPOA-AWEZNQCLSA-N 0 0 382.464 3.671 20 10 GHCDRN CC1(C)C[C@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc21 ZINC000769973267 874383419 /nfs/dbraw/zinc/38/34/19/874383419.db2.gz OJTQOPKIKYZNIY-FQEVSTJZSA-N 0 0 397.494 3.884 20 10 GHCDRN CC1(C)Cc2ccc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c(O)c2O1 ZINC000770087938 874450564 /nfs/dbraw/zinc/45/05/64/874450564.db2.gz UHCRLGMESFMOAX-KRWDZBQOSA-N 0 0 397.471 3.633 20 10 GHCDRN C=CS(=O)(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1F ZINC001198610985 874519476 /nfs/dbraw/zinc/51/94/76/874519476.db2.gz SCUFWGPGHYAHRA-UHFFFAOYSA-N 0 0 384.226 3.704 20 10 GHCDRN CCOC(=O)C1CCN(C(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)CC1 ZINC000858101418 882847608 /nfs/dbraw/zinc/84/76/08/882847608.db2.gz OQVDQQVSPKSRKY-UHFFFAOYSA-N 0 0 396.487 3.630 20 10 GHCDRN Cc1cc(CCNC(=O)Cn2ccc(=O)c3ccccc32)c(C)n1-c1ccccc1 ZINC000921306878 882848856 /nfs/dbraw/zinc/84/88/56/882848856.db2.gz ZZCVVPGOWOETIS-UHFFFAOYSA-N 0 0 399.494 3.768 20 10 GHCDRN O=C(NCc1ccc2c(c1)COC2)N(Cc1ccco1)Cc1ccccc1O ZINC000770414569 874657170 /nfs/dbraw/zinc/65/71/70/874657170.db2.gz HXHKJYCIBITGES-UHFFFAOYSA-N 0 0 378.428 3.927 20 10 GHCDRN Cn1c2ccc(NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2oc1=O ZINC000770552577 874737496 /nfs/dbraw/zinc/73/74/96/874737496.db2.gz KPUGZOJCEKWBTJ-UHFFFAOYSA-N 0 0 382.420 3.642 20 10 GHCDRN C[C@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000104812787 874767387 /nfs/dbraw/zinc/76/73/87/874767387.db2.gz XYKJSOQMQLRNNG-SUMWQHHRSA-N 0 0 385.430 3.530 20 10 GHCDRN CCOC(=O)c1ccc(NC(=S)NCc2cccc(Br)n2)cc1 ZINC001199058453 874780661 /nfs/dbraw/zinc/78/06/61/874780661.db2.gz GEGDTNKVPIUHHH-UHFFFAOYSA-N 0 0 394.294 3.507 20 10 GHCDRN Cc1ccnc(-c2cccc(NC(=O)N3CCOc4cc(N(C)C)ccc43)c2)n1 ZINC000542025341 874797066 /nfs/dbraw/zinc/79/70/66/874797066.db2.gz IXFKOXPFWOJENO-UHFFFAOYSA-N 0 0 389.459 3.949 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C)n(-c2ccc(OC)cc2)n1 ZINC000770724518 874833230 /nfs/dbraw/zinc/83/32/30/874833230.db2.gz VPDRFUQEGAXEDM-UHFFFAOYSA-N 0 0 392.503 3.918 20 10 GHCDRN Cc1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccc(N)cc3)cc2)[nH]c1=O ZINC001199269415 874885247 /nfs/dbraw/zinc/88/52/47/874885247.db2.gz NITKTYNQNDTGQA-UHFFFAOYSA-N 0 0 377.404 3.574 20 10 GHCDRN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1[N+](=O)[O-] ZINC000320772552 874900728 /nfs/dbraw/zinc/90/07/28/874900728.db2.gz QVPQQILBQKIRNM-UHFFFAOYSA-N 0 0 377.205 3.716 20 10 GHCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)c1cc(OC(F)F)ccn1 ZINC001199307833 874903788 /nfs/dbraw/zinc/90/37/88/874903788.db2.gz VEMMKECYJPFSDU-QYGQBAGNSA-N 0 0 384.346 3.650 20 10 GHCDRN Cc1cc(C(=O)OCC(=O)C2CCOCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000770956319 874937850 /nfs/dbraw/zinc/93/78/50/874937850.db2.gz MJVSYCVVZXSIGU-UHFFFAOYSA-N 0 0 375.852 3.900 20 10 GHCDRN COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)ccc1C ZINC000105038573 874990377 /nfs/dbraw/zinc/99/03/77/874990377.db2.gz SFNZCVGFZOSEMB-NRFANRHFSA-N 0 0 382.504 3.891 20 10 GHCDRN CC(=O)c1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)s1 ZINC000771060826 875016131 /nfs/dbraw/zinc/01/61/31/875016131.db2.gz ZEWQNNJBWKPSFO-OAHLLOKOSA-N 0 0 392.908 3.704 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](CO)c2c(F)cccc2F)c(C)n1-c1ccc(F)cc1 ZINC000771067820 875019875 /nfs/dbraw/zinc/01/98/75/875019875.db2.gz DVMPASWKHFJWIA-IBGZPJMESA-N 0 0 388.389 3.975 20 10 GHCDRN COc1ccccc1[C@H](CO)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000771145676 875073962 /nfs/dbraw/zinc/07/39/62/875073962.db2.gz XGNILZMBDYZRIO-FQEVSTJZSA-N 0 0 382.435 3.705 20 10 GHCDRN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000771204547 875084438 /nfs/dbraw/zinc/08/44/38/875084438.db2.gz OHJKQAZDKOXODZ-VGSWGCGISA-N 0 0 379.504 3.820 20 10 GHCDRN Cc1cc(C(=O)NCc2ncc3c(n2)CCC3)c(C)n1-c1ccc(Cl)cc1 ZINC001299202943 882903960 /nfs/dbraw/zinc/90/39/60/882903960.db2.gz ABOLWABLTZWQCM-UHFFFAOYSA-N 0 0 380.879 3.956 20 10 GHCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)c1 ZINC000771324161 875189212 /nfs/dbraw/zinc/18/92/12/875189212.db2.gz MRPMTXGLQJNFQL-WOJBJXKFSA-N 0 0 384.476 3.584 20 10 GHCDRN Cc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(C)n1[C@@H]1CCOC1 ZINC000528883928 875215060 /nfs/dbraw/zinc/21/50/60/875215060.db2.gz WLWFQFRKYDTGAI-UXHICEINSA-N 0 0 398.503 3.593 20 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ZINC000852455492 878336866 /nfs/dbraw/zinc/33/68/66/878336866.db2.gz UCIFPNAGOGOIOW-HOCLYGCPSA-N 0 0 389.446 3.955 20 10 GHCDRN COc1ccc(N2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)cc1F ZINC000788850179 878384935 /nfs/dbraw/zinc/38/49/35/878384935.db2.gz IAQRUSWMAJWYML-UHFFFAOYSA-N 0 0 382.395 3.617 20 10 GHCDRN O=S(=O)(C1=Cc2ccccc2OC1)N(Cc1ccccc1O)C1CCCC1 ZINC000788900163 878436933 /nfs/dbraw/zinc/43/69/33/878436933.db2.gz JXFYNGVJSFBLJC-UHFFFAOYSA-N 0 0 385.485 3.900 20 10 GHCDRN C[C@H]1CCC[C@@H](CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)O1 ZINC000852579405 878437817 /nfs/dbraw/zinc/43/78/17/878437817.db2.gz HQWNBDQQCYXWOZ-KSSFIOAISA-N 0 0 397.466 3.514 20 10 GHCDRN CSC1(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCC1 ZINC000788957556 878464383 /nfs/dbraw/zinc/46/43/83/878464383.db2.gz NTLNGKUJGOUDJB-UHFFFAOYSA-N 0 0 399.507 3.842 20 10 GHCDRN Cc1ccc([C@H](C)N(C)C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c(C)c1 ZINC000788931803 878479856 /nfs/dbraw/zinc/47/98/56/878479856.db2.gz GVIZDUUDENDXEV-IBGZPJMESA-N 0 0 393.531 3.739 20 10 GHCDRN C[C@H](OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C(=O)Nc1ccccc1 ZINC000789005747 878516776 /nfs/dbraw/zinc/51/67/76/878516776.db2.gz CCMMZFQVXZTHPO-AWEZNQCLSA-N 0 0 399.402 3.646 20 10 GHCDRN COC(=O)c1cccc(S(=O)(=O)Oc2ccc3c(c2)c2c(n3C)CCCC2)c1 ZINC001212278669 878544074 /nfs/dbraw/zinc/54/40/74/878544074.db2.gz UNEBQMQKADOZQI-UHFFFAOYSA-N 0 0 399.468 3.611 20 10 GHCDRN CCS(=O)(=O)CCCCCOC(=O)c1sccc1-n1c(C)ccc1C ZINC000789034770 878557699 /nfs/dbraw/zinc/55/76/99/878557699.db2.gz YFLINQGZIHMVSO-UHFFFAOYSA-N 0 0 383.535 3.917 20 10 GHCDRN C[C@H](NC(=O)Nc1ccn(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1 ZINC000068482604 878613489 /nfs/dbraw/zinc/61/34/89/878613489.db2.gz CDZKZZWJRLHOGJ-KRWDZBQOSA-N 0 0 391.475 3.592 20 10 GHCDRN C[C@@H](NC(=O)Nc1ccc2c(c1)CCCN2C)c1ccc(N2CCOCC2)cc1 ZINC000068484613 878614915 /nfs/dbraw/zinc/61/49/15/878614915.db2.gz KNZCYQXBBAFFDY-QGZVFWFLSA-N 0 0 394.519 3.788 20 10 GHCDRN CC(=O)Nc1cc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1C ZINC000068483771 878615519 /nfs/dbraw/zinc/61/55/19/878615519.db2.gz CCOUHXKFPUUKLF-MRXNPFEDSA-N 0 0 396.491 3.673 20 10 GHCDRN COc1cccc(CNC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)c1O ZINC000068489182 878631878 /nfs/dbraw/zinc/63/18/78/878631878.db2.gz QXVQWAVYUNFMIV-UHFFFAOYSA-N 0 0 383.423 3.779 20 10 GHCDRN CCc1c(C(=O)NCc2cccc(OC)c2O)cnn1-c1cccc(Cl)c1 ZINC000068489184 878632374 /nfs/dbraw/zinc/63/23/74/878632374.db2.gz UXSXYOIYDWXBOY-UHFFFAOYSA-N 0 0 385.851 3.732 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2ccn(CC(F)F)n2)c(C)n1-c1ccccc1 ZINC000789149777 878675809 /nfs/dbraw/zinc/67/58/09/878675809.db2.gz IPBREHQFOAKTBQ-UHFFFAOYSA-N 0 0 387.386 3.595 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1Cc2c[nH]nc2CC(C)(C)C1 ZINC000852988357 878728671 /nfs/dbraw/zinc/72/86/71/878728671.db2.gz ZSPLPHMPBXBIFB-INIZCTEOSA-N 0 0 383.540 3.509 20 10 GHCDRN Cn1nc(C(F)(F)F)cc1/C=C1\SC(=S)N(C2CCCCC2)C1=O ZINC000853000243 878744761 /nfs/dbraw/zinc/74/47/61/878744761.db2.gz HKDVYCVLZWUYTD-XFFZJAGNSA-N 0 0 375.441 3.973 20 10 GHCDRN C[C@H](CN1CCOCC1)N(C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000789335558 878867171 /nfs/dbraw/zinc/86/71/71/878867171.db2.gz REARBHAFAJQFKX-GOSISDBHSA-N 0 0 395.507 3.693 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCc3ccccc3-n3ccnc32)c1 ZINC000853240914 878925279 /nfs/dbraw/zinc/92/52/79/878925279.db2.gz JNFIDFBOJJLJGF-RDTXWAMCSA-N 0 0 377.444 3.703 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N(C)[C@@H](CO)c2cccc(Cl)c2Cl)cc1 ZINC000853244226 878930063 /nfs/dbraw/zinc/93/00/63/878930063.db2.gz ICBAQOOVMVSSSM-KRWDZBQOSA-N 0 0 396.318 3.934 20 10 GHCDRN Cc1cc(C(=O)NCCC2N=NC(=S)N2C)c(C)n1-c1cccc(C(C)C)c1 ZINC000111201370 878948938 /nfs/dbraw/zinc/94/89/38/878948938.db2.gz KVKSLHLXDGULAB-UHFFFAOYSA-N 0 0 397.548 3.607 20 10 GHCDRN Cc1cc(C(=O)CN2CCC(n3ccnc3)CC2)c(C)n1-c1cccc(F)c1 ZINC000111243777 878979043 /nfs/dbraw/zinc/97/90/43/878979043.db2.gz ODVMPOAHUFDAAB-UHFFFAOYSA-N 0 0 380.467 3.950 20 10 GHCDRN CCOc1cccc(CN[C@@H](C[C@H]2CCCc3ccccc32)C(=O)OC)c1O ZINC000789582829 879081030 /nfs/dbraw/zinc/08/10/30/879081030.db2.gz ZOONGDGNJDFIAC-XLIONFOSSA-N 0 0 383.488 3.932 20 10 GHCDRN Cc1oc2c(ccc([O-])c2C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)c(=O)c1-c1ccccc1 ZINC000853567726 879124441 /nfs/dbraw/zinc/12/44/41/879124441.db2.gz XAECQUVZLNFUMQ-BXKMTCNYSA-N 0 0 391.467 3.942 20 10 GHCDRN Cn1cccc1C(=O)N1CCN(Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000853618600 879175630 /nfs/dbraw/zinc/17/56/30/879175630.db2.gz LHVHHQSPDQEBBT-UHFFFAOYSA-N 0 0 389.455 3.588 20 10 GHCDRN CCc1nc([C@H](C)NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cs1 ZINC000111479092 879194312 /nfs/dbraw/zinc/19/43/12/879194312.db2.gz YFNUQPBPYPMUNW-GJZGRUSLSA-N 0 0 388.537 3.664 20 10 GHCDRN CC[C@H](CSCC(=O)N1CCN(c2ccc(OC)cc2)CC1)CC(F)F ZINC000853781456 879282411 /nfs/dbraw/zinc/28/24/11/879282411.db2.gz LBVANRZGAATHOZ-HNNXBMFYSA-N 0 0 386.508 3.758 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1nc(-c2ccc3c(c2)CCO3)cs1 ZINC000180766150 879295456 /nfs/dbraw/zinc/29/54/56/879295456.db2.gz GTNMSZPHBKYDQJ-QHHAFSJGSA-N 0 0 380.425 3.808 20 10 GHCDRN O=C(NCCCSc1nccs1)NC[C@H](OC1CCCC1)C(F)(F)F ZINC000853855966 879334920 /nfs/dbraw/zinc/33/49/20/879334920.db2.gz MXRVRABEWCYCEZ-LBPRGKRZSA-N 0 0 397.488 3.815 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)Nc1cccc2cccnc21 ZINC000853863290 879340721 /nfs/dbraw/zinc/34/07/21/879340721.db2.gz OZNKTTGODPNEHB-UHFFFAOYSA-N 0 0 376.460 3.518 20 10 GHCDRN Cc1sc(CC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)nc1C(C)C ZINC000789909751 879353689 /nfs/dbraw/zinc/35/36/89/879353689.db2.gz CXPHTVXZZVZJCM-HNNXBMFYSA-N 0 0 387.549 3.831 20 10 GHCDRN O=C(NCc1cccc(Cn2cnc3ccccc32)c1)c1c(F)ccc(O)c1O ZINC000789976695 879374181 /nfs/dbraw/zinc/37/41/81/879374181.db2.gz LVFLTXJITFZMMY-UHFFFAOYSA-N 0 0 391.402 3.565 20 10 GHCDRN CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000789982962 879377785 /nfs/dbraw/zinc/37/77/85/879377785.db2.gz FNSXPYISPGKUMB-TZIWHRDSSA-N 0 0 385.552 3.720 20 10 GHCDRN Cc1nc(-c2ccccn2)nc(NCc2ccc(N3CCC(O)CC3)cc2)c1C ZINC000853955989 879399560 /nfs/dbraw/zinc/39/95/60/879399560.db2.gz NLZGZBGROOICSW-UHFFFAOYSA-N 0 0 389.503 3.729 20 10 GHCDRN C[C@@H](NC(=O)N[C@@H](c1cccs1)C(C)(C)CO)c1ccc(N(C)C)cc1 ZINC000854004441 879432799 /nfs/dbraw/zinc/43/27/99/879432799.db2.gz RPTIXTLVVNAAQA-KDOFPFPSSA-N 0 0 375.538 3.934 20 10 GHCDRN Cc1cc(C(=O)NCCC[C@@H](C)O)c(C)n1-c1ccc(Br)cc1 ZINC000790084957 879454528 /nfs/dbraw/zinc/45/45/28/879454528.db2.gz WHVBNBHPEBJCFO-CYBMUJFWSA-N 0 0 379.298 3.747 20 10 GHCDRN CC(=O)N1CCC[C@@H](c2noc(Cc3cc(C)n(-c4ccccc4)c3C)n2)C1 ZINC000854035745 879462078 /nfs/dbraw/zinc/46/20/78/879462078.db2.gz PXPPVZFHCGUOHE-GOSISDBHSA-N 0 0 378.476 3.794 20 10 GHCDRN O=C(C=Cc1ccc(O)c(O)c1)N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000180900988 879470088 /nfs/dbraw/zinc/47/00/88/879470088.db2.gz QUKICFPXEPGMJD-BVRWQAIYSA-N 0 0 385.423 3.893 20 10 GHCDRN COc1cccc(CNC(=O)N[C@@H](C)Cc2ccccc2Br)c1O ZINC000152623254 879479711 /nfs/dbraw/zinc/47/97/11/879479711.db2.gz CZMWVVCYOVMTNJ-LBPRGKRZSA-N 0 0 393.281 3.594 20 10 GHCDRN COCCN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CC[C@@H](C)C1 ZINC000790196897 879514423 /nfs/dbraw/zinc/51/44/23/879514423.db2.gz AOUOHAWVDPCQAC-YLJYHZDGSA-N 0 0 391.581 3.586 20 10 GHCDRN O=S(=O)(c1cc(Cl)ccc1F)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000790214338 879534971 /nfs/dbraw/zinc/53/49/71/879534971.db2.gz RGLMIOWNDBRMDW-HNNXBMFYSA-N 0 0 399.871 3.555 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000265966086 879544709 /nfs/dbraw/zinc/54/47/09/879544709.db2.gz ZEWXJFBLAKKOKP-UHFFFAOYSA-N 0 0 399.498 3.938 20 10 GHCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)[C@H]1CCc2ccccc2[C@H]1O ZINC001183393482 912473303 /nfs/dbraw/zinc/47/33/03/912473303.db2.gz MRYONLMALXOREQ-OXJNMPFZSA-N 0 0 382.847 3.506 20 10 GHCDRN CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(N3CCCCC3)c2)c1 ZINC000112008077 879635961 /nfs/dbraw/zinc/63/59/61/879635961.db2.gz DWNXANUCVQXSQN-UHFFFAOYSA-N 0 0 390.480 3.862 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCCC1CC(OC)C1 ZINC000854250821 879662063 /nfs/dbraw/zinc/66/20/63/879662063.db2.gz TYJGFUWLLAWEJO-UHFFFAOYSA-N 0 0 385.302 3.501 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N(Cc3ccc(O)cc3)CC3CC3)C2)cc1 ZINC000854298981 879703475 /nfs/dbraw/zinc/70/34/75/879703475.db2.gz DFXHKACOVRMSCI-IBGZPJMESA-N 0 0 395.503 3.601 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1 ZINC000790398021 879710739 /nfs/dbraw/zinc/71/07/39/879710739.db2.gz VWKGFZHJAZMDMX-SECBINFHSA-N 0 0 393.358 3.598 20 10 GHCDRN C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CCOc2cc(N(C)C)ccc21 ZINC000181119916 879728081 /nfs/dbraw/zinc/72/80/81/879728081.db2.gz ZBGODRMNPPXDKB-QAPCUYQASA-N 0 0 385.533 3.765 20 10 GHCDRN O=C(c1cccc(O)c1O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000790524846 879791997 /nfs/dbraw/zinc/79/19/97/879791997.db2.gz CGMQQHROBUUQBJ-UHFFFAOYSA-N 0 0 387.233 3.540 20 10 GHCDRN Cc1cc(CC(=O)NCc2ccc(C[S@@](C)=O)cc2)c(C)n1-c1ccccc1 ZINC000854446802 879818579 /nfs/dbraw/zinc/81/85/79/879818579.db2.gz ZBPZLDVJAGCPIF-MUUNZHRXSA-N 0 0 394.540 3.832 20 10 GHCDRN Cc1c(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cccc1[N+](=O)[O-] ZINC000790563333 879818826 /nfs/dbraw/zinc/81/88/26/879818826.db2.gz CVOJCDUZCZFJLG-UHFFFAOYSA-N 0 0 382.464 3.843 20 10 GHCDRN C[C@@H](NC(=O)Nc1cnn(C2CCCC2)c1)c1ccc(N2CCOCC2)cc1 ZINC000914400601 879822953 /nfs/dbraw/zinc/82/29/53/879822953.db2.gz PJCGGOONSNUPMJ-MRXNPFEDSA-N 0 0 383.496 3.718 20 10 GHCDRN O=[N+]([O-])c1c(F)cccc1NNC(=S)Nc1ccc(OC(F)(F)F)cc1 ZINC000790607269 879859492 /nfs/dbraw/zinc/85/94/92/879859492.db2.gz HKNVJHYIZFHTBU-UHFFFAOYSA-N 0 0 390.318 3.946 20 10 GHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000791005331 880129527 /nfs/dbraw/zinc/12/95/27/880129527.db2.gz SYERXBYFQJKXDF-LLVKDONJSA-N 0 0 376.230 3.918 20 10 GHCDRN Cc1cc(C(=O)N2C[C@@H](C)OC3(CCOCC3)C2)c(C)n1-c1cccc(C)c1 ZINC000791058414 880183305 /nfs/dbraw/zinc/18/33/05/880183305.db2.gz DWFUQAJBMPONET-GOSISDBHSA-N 0 0 382.504 3.813 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1ccccc1F ZINC000791250362 880284696 /nfs/dbraw/zinc/28/46/96/880284696.db2.gz PUMAKKBOPFNLJK-UHFFFAOYSA-N 0 0 386.467 3.757 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CC[C@@H]1CC[C@@H](C)O1 ZINC000791250371 880284771 /nfs/dbraw/zinc/28/47/71/880284771.db2.gz PWOYOVITLSRGRL-APWZRJJASA-N 0 0 390.524 3.723 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)/C=C/c1cncc(F)c1 ZINC000791245837 880304848 /nfs/dbraw/zinc/30/48/48/880304848.db2.gz FSSNNTAHQXPUHQ-ZZXKWVIFSA-N 0 0 399.466 3.623 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)C[C@@H]3OCc4cc(Cl)ccc43)C2)cc1 ZINC000855223890 880368689 /nfs/dbraw/zinc/36/86/89/880368689.db2.gz IXCYPXBPWWABPE-UZLBHIALSA-N 0 0 386.879 3.705 20 10 GHCDRN CCc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855223854 880369091 /nfs/dbraw/zinc/36/90/91/880369091.db2.gz IQAQRUXHJHPYDN-KRWDZBQOSA-N 0 0 391.471 3.921 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])C2)cc1 ZINC000855227989 880372287 /nfs/dbraw/zinc/37/22/87/880372287.db2.gz SRHMXKDQTJSYPW-AWEZNQCLSA-N 0 0 389.839 3.574 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3ccc(-n4nc(C)cc4C)cc3)C2)cc1 ZINC000855229837 880374456 /nfs/dbraw/zinc/37/44/56/880374456.db2.gz RQCJZPCLDXLWBS-IBGZPJMESA-N 0 0 390.487 3.506 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)Cc3c[nH]c4cc(Cl)ccc34)C2)cc1 ZINC000855230628 880375477 /nfs/dbraw/zinc/37/54/77/880375477.db2.gz QNFHOVDBSLNBRJ-MRXNPFEDSA-N 0 0 383.879 3.768 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)Oc3ccc(SC)cc3)C2)cc1 ZINC000855230701 880375575 /nfs/dbraw/zinc/37/55/75/880375575.db2.gz IDQGBMYBOMTLLW-HZPDHXFCSA-N 0 0 386.517 3.580 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ncoc3-c3ccc(C)cc3)C2)cc1 ZINC000855231758 880376611 /nfs/dbraw/zinc/37/66/11/880376611.db2.gz NTPRCTBSLXNVKR-QGZVFWFLSA-N 0 0 377.444 3.667 20 10 GHCDRN COc1ccc(S[C@@H](C)C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000855232502 880378140 /nfs/dbraw/zinc/37/81/40/880378140.db2.gz RGAGDDZSVWEZNC-HOTGVXAUSA-N 0 0 386.517 3.580 20 10 GHCDRN C[C@H](Nc1ccc2c(c1)NC(=O)CO2)c1ccc(N2CCOCC2)cc1Cl ZINC000776803927 880444986 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GHCDRN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000792036796 880887748 /nfs/dbraw/zinc/88/77/48/880887748.db2.gz YEQUACDHTXUOCQ-XJKSGUPXSA-N 0 0 387.471 3.722 20 10 GHCDRN CCC[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H](O)c1ccccc1 ZINC000792105905 880901719 /nfs/dbraw/zinc/90/17/19/880901719.db2.gz VWTNQUXVCZTMJK-VXKWHMMOSA-N 0 0 379.504 3.764 20 10 GHCDRN Cc1cc(C)c2c(c1)CN(C(=O)N[C@H](C)c1ccc(N3CCOCC3)cc1)CC2 ZINC000776861573 880906752 /nfs/dbraw/zinc/90/67/52/880906752.db2.gz WTVCZYJUOGSHBL-LJQANCHMSA-N 0 0 393.531 3.969 20 10 GHCDRN COc1ccc(N2CCC(NCc3noc(-c4ccccc4C)n3)CC2)cc1 ZINC000792173888 880962040 /nfs/dbraw/zinc/96/20/40/880962040.db2.gz FDUDUTFLDILABY-UHFFFAOYSA-N 0 0 378.476 3.812 20 10 GHCDRN CCCCCOc1cc(/C=C2\SC(N3CCOCC3)=NC2=O)ccc1OC ZINC000747063587 881017390 /nfs/dbraw/zinc/01/73/90/881017390.db2.gz NNNPIOQSMOFGSA-JXAWBTAJSA-N 0 0 390.505 3.567 20 10 GHCDRN Cc1ccc(C(C)C)cc1OCC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856208233 881041378 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/nfs/dbraw/zinc/20/85/86/884208586.db2.gz KAFSBCREXWUURG-MRVPVSSYSA-N 0 0 375.293 3.756 20 10 GHCDRN C[C@H]1CCCC[C@@H]1CCNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000805931531 884228823 /nfs/dbraw/zinc/22/88/23/884228823.db2.gz LQPDGYGMWAYVSE-ZWKOTPCHSA-N 0 0 398.503 3.847 20 10 GHCDRN Cc1cc(C(=O)C[N@@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000263154872 884238326 /nfs/dbraw/zinc/23/83/26/884238326.db2.gz FPZXHFJTWOBSCI-AUUYWEPGSA-N 0 0 382.504 3.936 20 10 GHCDRN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cc(F)c(F)cc1[O-])C2 ZINC001142509190 884312317 /nfs/dbraw/zinc/31/23/17/884312317.db2.gz ZZJWWBMYWAKWCL-FQEVSTJZSA-N 0 0 382.451 3.893 20 10 GHCDRN CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000806181667 884424089 /nfs/dbraw/zinc/42/40/89/884424089.db2.gz GSCUWVSIWIVLGN-AWEZNQCLSA-N 0 0 386.452 3.754 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000841647586 884431744 /nfs/dbraw/zinc/43/17/44/884431744.db2.gz ZUGSJRDLNJFROE-HTAPYJJXSA-N 0 0 397.519 3.981 20 10 GHCDRN C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000806192511 884433470 /nfs/dbraw/zinc/43/34/70/884433470.db2.gz UKEGZEDCDOGNAB-DBXWQHBBSA-N 0 0 385.552 3.576 20 10 GHCDRN C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897765169 884448586 /nfs/dbraw/zinc/44/85/86/884448586.db2.gz COWDNDKFEZLJAT-NSHDSACASA-N 0 0 398.488 3.779 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC001130543739 884460958 /nfs/dbraw/zinc/46/09/58/884460958.db2.gz DMHNFLILJNPJBX-UHFFFAOYSA-N 0 0 380.410 3.851 20 10 GHCDRN CC[C@@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccc(Br)cc1 ZINC000860235714 884465173 /nfs/dbraw/zinc/46/51/73/884465173.db2.gz XQLYKYPYSHZDQY-OAHLLOKOSA-N 0 0 378.266 3.713 20 10 GHCDRN CC1(C)C[C@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCS1 ZINC000897878516 884498075 /nfs/dbraw/zinc/49/80/75/884498075.db2.gz HLUUNIXXNLOIIF-SJORKVTESA-N 0 0 378.538 3.757 20 10 GHCDRN Cc1noc(C2(NCc3ccc(N4CCCCC4)c(Br)c3)CC2)n1 ZINC000897896405 884502737 /nfs/dbraw/zinc/50/27/37/884502737.db2.gz WKCNVQUQZKUFRE-UHFFFAOYSA-N 0 0 391.313 3.910 20 10 GHCDRN COc1cccc(-c2cc(CNC(=O)N(C)Cc3ccc(N(C)C)cc3)on2)c1 ZINC000898015128 884555871 /nfs/dbraw/zinc/55/58/71/884555871.db2.gz JYQIWSMZIFQEOS-UHFFFAOYSA-N 0 0 394.475 3.758 20 10 GHCDRN CC(C)(CNC(=O)NCc1ccc(N2CCOCC2)cc1)Cc1ccccc1 ZINC000117406198 884586840 /nfs/dbraw/zinc/58/68/40/884586840.db2.gz XXBDWQUQYFVYIX-UHFFFAOYSA-N 0 0 381.520 3.591 20 10 GHCDRN O=C(CCCN1CCN(Cc2cc(F)c(F)cc2O)CC1)c1ccc(F)cc1 ZINC001142534599 884603312 /nfs/dbraw/zinc/60/33/12/884603312.db2.gz PHWIFOVLYTYJQV-UHFFFAOYSA-N 0 0 392.421 3.590 20 10 GHCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1COc2ccc(Cl)cc21 ZINC000761831533 884707214 /nfs/dbraw/zinc/70/72/14/884707214.db2.gz QVHDDKIXZIUZEW-AWEZNQCLSA-N 0 0 393.226 3.597 20 10 GHCDRN COc1cnc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1 ZINC000806516064 884780923 /nfs/dbraw/zinc/78/09/23/884780923.db2.gz GVBALTMBDCLZEY-LLVKDONJSA-N 0 0 398.435 3.544 20 10 GHCDRN COCCN(CC(=O)c1c(C)[nH]c2ccccc21)c1ccc(OC)c(OC)c1 ZINC000174798883 884781784 /nfs/dbraw/zinc/78/17/84/884781784.db2.gz PLVOLFMOWYORGY-UHFFFAOYSA-N 0 0 382.460 3.829 20 10 GHCDRN Cc1cc(C(=O)N[C@H](CO)c2csc(C(C)C)n2)c(C)n1-c1ccccn1 ZINC000898364943 884795913 /nfs/dbraw/zinc/79/59/13/884795913.db2.gz XHGNVMBBYFVEQJ-MRXNPFEDSA-N 0 0 384.505 3.532 20 10 GHCDRN CCOC(=O)[C@@H](Cc1ccccc1)OC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000919078887 884850473 /nfs/dbraw/zinc/85/04/73/884850473.db2.gz NLHLORSDWZYSRY-HXUWFJFHSA-N 0 0 392.455 3.820 20 10 GHCDRN COc1ccc([C@H](C)NC(=O)NCc2ccc(N(C)C)c(F)c2)c(C)c1OC ZINC000806634375 884887276 /nfs/dbraw/zinc/88/72/76/884887276.db2.gz KGYIDFZUFNIWMZ-AWEZNQCLSA-N 0 0 389.471 3.778 20 10 GHCDRN CC[C@H](NC(=O)NCc1cc(Br)ccc1O)c1nc(C)cs1 ZINC000806740939 884928109 /nfs/dbraw/zinc/92/81/09/884928109.db2.gz DLPYXYMJYBAPPM-LBPRGKRZSA-N 0 0 384.299 3.870 20 10 GHCDRN Cc1cccc2c1CC[C@H]2NC(=O)NCc1cc(Br)ccc1O ZINC000806741428 884930966 /nfs/dbraw/zinc/93/09/66/884930966.db2.gz UIRVFWRHDDAUMD-MRXNPFEDSA-N 0 0 375.266 3.950 20 10 GHCDRN Cc1cc(C(=O)N[C@H](C)CCc2ccc3c(c2)OCO3)c(C)n1-c1ccccn1 ZINC000914847952 884936603 /nfs/dbraw/zinc/93/66/03/884936603.db2.gz QRZLWDIWXIAFCJ-OAHLLOKOSA-N 0 0 391.471 3.969 20 10 GHCDRN CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)C3(O)CCCC3)c2C)cc1 ZINC000919134016 884941746 /nfs/dbraw/zinc/94/17/46/884941746.db2.gz LMTGZLVWYIUHDI-UHFFFAOYSA-N 0 0 385.460 3.524 20 10 GHCDRN C[C@@]1(CCc2ccccc2)CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000761905438 884964336 /nfs/dbraw/zinc/96/43/36/884964336.db2.gz RLFKVRXFJFSPEM-OAQYLSRUSA-N 0 0 381.432 3.775 20 10 GHCDRN CCN(CC(=O)N[C@@H](C)c1cc(OC)ccc1O)Cc1ccccc1Cl ZINC000806793661 884988538 /nfs/dbraw/zinc/98/85/38/884988538.db2.gz UDSFBEYBRIFZGV-AWEZNQCLSA-N 0 0 376.884 3.754 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)c1cccc(C)c1C ZINC000806849784 885026450 /nfs/dbraw/zinc/02/64/50/885026450.db2.gz PMMMOVXLTYIKIN-SFHVURJKSA-N 0 0 381.520 3.595 20 10 GHCDRN COc1ccc(CCNc2nnc(Sc3nccs3)s2)cc1OC ZINC000914863153 885035353 /nfs/dbraw/zinc/03/53/53/885035353.db2.gz KIWFNJPBNNEIOG-UHFFFAOYSA-N 0 0 380.520 3.818 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1c(F)cc(Cl)c(C)c1F ZINC000761961628 885050056 /nfs/dbraw/zinc/05/00/56/885050056.db2.gz FXQYFEAHHLRQIH-UHFFFAOYSA-N 0 0 395.837 3.556 20 10 GHCDRN Cc1cc(N2CCCCCC2)ccc1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC000806855162 885061971 /nfs/dbraw/zinc/06/19/71/885061971.db2.gz AXZFUDPBLDIPSZ-UHFFFAOYSA-N 0 0 395.503 3.678 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000806869896 885072945 /nfs/dbraw/zinc/07/29/45/885072945.db2.gz KXSYRWGVKUOCQS-RBUKOAKNSA-N 0 0 395.547 3.798 20 10 GHCDRN O=C(NC[C@H]1CCCSC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000806878198 885078365 /nfs/dbraw/zinc/07/83/65/885078365.db2.gz NIVJKQDPMLFVCV-HUUCEWRRSA-N 0 0 399.507 3.699 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)Nc3cccc(NC(N)=O)c3)c2C)cc1 ZINC000860884625 885081550 /nfs/dbraw/zinc/08/15/50/885081550.db2.gz SXWMKZYZURGBAM-UHFFFAOYSA-N 0 0 378.432 3.846 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(-c3ccccc3)c2)c1 ZINC000806885793 885082735 /nfs/dbraw/zinc/08/27/35/885082735.db2.gz IJLLQAIHWSEYIA-OAHLLOKOSA-N 0 0 390.439 3.884 20 10 GHCDRN C[C@H](NC(=O)[C@H]1CCCn2cc(C(F)(F)F)nc21)c1ccc(N(C)C)cc1 ZINC000860950326 885115802 /nfs/dbraw/zinc/11/58/02/885115802.db2.gz LWPRXMQWAOVGBY-WFASDCNBSA-N 0 0 380.414 3.723 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cccnc2OCC(F)F)cc1 ZINC000760254936 885131086 /nfs/dbraw/zinc/13/10/86/885131086.db2.gz RDTAIBBMZPGMFU-UHFFFAOYSA-N 0 0 377.435 3.844 20 10 GHCDRN Cc1cc(C(=O)OCC(=O)Nc2cc(F)ccc2F)c(C)n1-c1ccccn1 ZINC000914903343 885134990 /nfs/dbraw/zinc/13/49/90/885134990.db2.gz KQCQREJUNPPYKZ-UHFFFAOYSA-N 0 0 385.370 3.563 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc(N)c(OC(F)(F)F)c1 ZINC001299479764 912902654 /nfs/dbraw/zinc/90/26/54/912902654.db2.gz ZQERNZUDZVQXBF-CYBMUJFWSA-N 0 0 395.425 3.903 20 10 GHCDRN COc1ccc2cc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)ccc2c1 ZINC000806985948 885168304 /nfs/dbraw/zinc/16/83/04/885168304.db2.gz FKYOMTUXZBOGGT-OAHLLOKOSA-N 0 0 391.471 3.730 20 10 GHCDRN CNC(=O)C[C@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1[O-])c1ccccc1 ZINC000795850315 912908340 /nfs/dbraw/zinc/90/83/40/912908340.db2.gz XWVRMZYEXHLXLX-BZNIZROVSA-N 0 0 395.272 3.822 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3cc(C)cc4c(C)ccnc34)C2)cc1 ZINC001130827128 885212270 /nfs/dbraw/zinc/21/22/70/885212270.db2.gz TYPUZPWYKYWCKH-KRWDZBQOSA-N 0 0 375.472 3.869 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(F)c(C(C)=O)c1 ZINC000807079908 885226936 /nfs/dbraw/zinc/22/69/36/885226936.db2.gz WMPDKPODBSNYII-UHFFFAOYSA-N 0 0 386.423 3.501 20 10 GHCDRN Cc1ccccc1-n1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cn1 ZINC000117975201 885233132 /nfs/dbraw/zinc/23/31/32/885233132.db2.gz WCQQHKHPASZKJV-HXUWFJFHSA-N 0 0 391.471 3.708 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@H](C)c1ccccc1Cl ZINC000807095033 885237422 /nfs/dbraw/zinc/23/74/22/885237422.db2.gz IKNVTPTZVWLAHG-OAHLLOKOSA-N 0 0 387.911 3.550 20 10 GHCDRN Cc1ccc([C@@H](C)N(C)C(=O)C(=O)NCc2ccc(N(C)C)cc2C)c(C)c1 ZINC000807100386 885241532 /nfs/dbraw/zinc/24/15/32/885241532.db2.gz KHAIZJQZERCBAR-GOSISDBHSA-N 0 0 381.520 3.514 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3csc(C4CC4)n3)cc2F)C[C@H](C)O1 ZINC000747374620 885290352 /nfs/dbraw/zinc/29/03/52/885290352.db2.gz BREKUWIYHRJDAV-BETUJISGSA-N 0 0 389.496 3.703 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCc1ccc2c[nH]nc2c1 ZINC000807243261 885323453 /nfs/dbraw/zinc/32/34/53/885323453.db2.gz XSDDYVWLVWPEML-UHFFFAOYSA-N 0 0 391.519 3.937 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NCC(=O)N2CCCC2)cc1 ZINC000255598165 885354577 /nfs/dbraw/zinc/35/45/77/885354577.db2.gz XQJNXFLFVULZIY-UHFFFAOYSA-N 0 0 379.464 3.520 20 10 GHCDRN C[C@H]1CCN(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CCS1(=O)=O ZINC000762106294 885394947 /nfs/dbraw/zinc/39/49/47/885394947.db2.gz MGLDLDHLPZVAFL-HNNXBMFYSA-N 0 0 381.582 3.996 20 10 GHCDRN C[C@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000762156360 885492140 /nfs/dbraw/zinc/49/21/40/885492140.db2.gz NQCMPDSLBPSSAH-KXBFYZLASA-N 0 0 384.432 3.612 20 10 GHCDRN CCC[C@@H](CCc1ccccc1)NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807586812 885552095 /nfs/dbraw/zinc/55/20/95/885552095.db2.gz BLNNJXMTXZGIBG-RXVVDRJESA-N 0 0 395.547 3.848 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Cc3csc(C4CCCC4)n3)C2)cc1 ZINC001131029926 885617191 /nfs/dbraw/zinc/61/71/91/885617191.db2.gz HYNYFSTWSSOQGU-INIZCTEOSA-N 0 0 385.533 3.747 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cccc(F)c3OC(F)(F)F)C2)cc1 ZINC001131030256 885619089 /nfs/dbraw/zinc/61/90/89/885619089.db2.gz NISQYGZXQPLZGJ-GFCCVEGCSA-N 0 0 398.356 3.742 20 10 GHCDRN CCc1ccc(CN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000807673304 885623303 /nfs/dbraw/zinc/62/33/03/885623303.db2.gz QKXDBHMSEVDPGF-KRWDZBQOSA-N 0 0 393.531 3.683 20 10 GHCDRN C[C@H](NC(=O)C(=O)N[C@@H](CC1CCC1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000807676884 885626660 /nfs/dbraw/zinc/62/66/60/885626660.db2.gz IUYFHTMUTOUBCB-JTSKRJEESA-N 0 0 393.531 3.978 20 10 GHCDRN O=C(CN(Cc1cccnc1)c1ccccc1)NCCCSc1nccs1 ZINC000118341313 885627715 /nfs/dbraw/zinc/62/77/15/885627715.db2.gz YJOOEPBJSADIAW-UHFFFAOYSA-N 0 0 398.557 3.843 20 10 GHCDRN CCc1cc(Cl)cnc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000861614147 885698112 /nfs/dbraw/zinc/69/81/12/885698112.db2.gz WHWJSZNPBMKAJX-UHFFFAOYSA-N 0 0 392.862 3.595 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000861664986 885743616 /nfs/dbraw/zinc/74/36/16/885743616.db2.gz GXCQMOUXYGZGMT-JOCHJYFZSA-N 0 0 390.487 3.926 20 10 GHCDRN CN(Cc1cccc(=O)[nH]1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000915090362 885743828 /nfs/dbraw/zinc/74/38/28/885743828.db2.gz SVUHODVXSWNMKK-UHFFFAOYSA-N 0 0 382.508 3.898 20 10 GHCDRN CCOC1CC2(C1)CCN(C(=O)c1cccc(-n3c(C)cc(C=O)c3C)c1)C2 ZINC000861680978 885758767 /nfs/dbraw/zinc/75/87/67/885758767.db2.gz HGFGMGHDPQBUMN-UHFFFAOYSA-N 0 0 380.488 3.938 20 10 GHCDRN Cc1ccc(CO[C@H](C)C(=O)NCc2cc(Br)ccc2O)cc1 ZINC000861687724 885764128 /nfs/dbraw/zinc/76/41/28/885764128.db2.gz XLEFGYHVIDRNTP-CYBMUJFWSA-N 0 0 378.266 3.685 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N(Cc2ccccc2)CC2(O)CCCC2)cc1F ZINC000762272355 885890585 /nfs/dbraw/zinc/89/05/85/885890585.db2.gz NXXGRDXRAUADDP-UHFFFAOYSA-N 0 0 399.510 3.909 20 10 GHCDRN CCCOc1cncc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1 ZINC000861820193 885893052 /nfs/dbraw/zinc/89/30/52/885893052.db2.gz SCFAVSLQLKZWMX-UHFFFAOYSA-N 0 0 396.491 3.757 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC[C@@H](O)C23CCCC3)ccc1C ZINC000861825942 885899226 /nfs/dbraw/zinc/89/92/26/885899226.db2.gz ANEKSAPTVXWEQS-OAQYLSRUSA-N 0 0 380.488 3.735 20 10 GHCDRN CC(C)n1ncc2cc(S(=O)(=O)NCCCSc3nccs3)ccc21 ZINC000762278955 885924945 /nfs/dbraw/zinc/92/49/45/885924945.db2.gz HAWHHKBXFRAQSU-UHFFFAOYSA-N 0 0 396.563 3.534 20 10 GHCDRN CCCCCCn1c(SCC(=O)C(C)=O)nc2sc3c(c2c1=O)CCC3 ZINC000808010101 885928887 /nfs/dbraw/zinc/92/88/87/885928887.db2.gz KIEHXGHWXMRDCU-UHFFFAOYSA-N 0 0 392.546 3.777 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCc3nc(N)sc3C2)c(C)n1-c1ccccc1C ZINC000808060358 885964431 /nfs/dbraw/zinc/96/44/31/885964431.db2.gz LFLOHBMWIYOKFA-HNNXBMFYSA-N 0 0 380.517 3.729 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnn(-c2ccc(F)cc2)c1CC ZINC000808094864 886012134 /nfs/dbraw/zinc/01/21/34/886012134.db2.gz HQZMJJUZGPIEQC-UHFFFAOYSA-N 0 0 388.439 3.695 20 10 GHCDRN CC[C@@H]1CCCN(c2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])C1 ZINC000915212346 886017917 /nfs/dbraw/zinc/01/79/17/886017917.db2.gz CQMOAJFSQXJYDF-SECBINFHSA-N 0 0 388.218 3.901 20 10 GHCDRN Cc1cc(C(=O)COC(=O)CCc2cnccn2)c(C)n1-c1ccc(C)c(C)c1 ZINC000795924670 913001802 /nfs/dbraw/zinc/00/18/02/913001802.db2.gz VRESCRJGAIJQBS-UHFFFAOYSA-N 0 0 391.471 3.860 20 10 GHCDRN CC(C)(C)OC(=O)NC(C)(C)CCC(=O)NCc1ccc2cccnc2c1O ZINC000862027944 886064649 /nfs/dbraw/zinc/06/46/49/886064649.db2.gz KNGCOUMRMZWOFV-UHFFFAOYSA-N 0 0 387.480 3.640 20 10 GHCDRN 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CCN(CC)c1ccc(CNC(=O)c2ccc(-n3nc(C)cc3C)nc2)cc1 ZINC000916502654 889076042 /nfs/dbraw/zinc/07/60/42/889076042.db2.gz SBOCRYPUEDPEBB-UHFFFAOYSA-N 0 0 377.492 3.660 20 10 GHCDRN COc1ccc(C)cc1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000916601324 889169067 /nfs/dbraw/zinc/16/90/67/889169067.db2.gz XTZCEBVWFMIJTJ-IBGZPJMESA-N 0 0 384.476 3.600 20 10 GHCDRN C[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 ZINC000916625708 889182312 /nfs/dbraw/zinc/18/23/12/889182312.db2.gz MDMMYIBJBJMIGD-ZBFHGGJFSA-N 0 0 399.457 3.920 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCc1nc2c(cccc2C)o1 ZINC000532889205 889216392 /nfs/dbraw/zinc/21/63/92/889216392.db2.gz LHHDVQVHOQRNJW-UHFFFAOYSA-N 0 0 376.460 3.978 20 10 GHCDRN COc1ccccc1COC[C@H](O)CN1CCCc2cc(OC(F)F)ccc21 ZINC000747681726 889246861 /nfs/dbraw/zinc/24/68/61/889246861.db2.gz PZSUKPZCTQNPHX-QGZVFWFLSA-N 0 0 393.430 3.627 20 10 GHCDRN COc1ccc(N2CCN(C(=S)NCCCCC(F)(F)F)CC2)cc1F ZINC000794985300 889263395 /nfs/dbraw/zinc/26/33/95/889263395.db2.gz 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/nfs/dbraw/zinc/44/60/72/913446072.db2.gz JMCMLYJBAUQBDY-SFHVURJKSA-N 0 0 376.884 3.801 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3cccc([C@H](C)OC)c3)CC2)cc1F ZINC000123367862 890561040 /nfs/dbraw/zinc/56/10/40/890561040.db2.gz ZVKIKEXXHDQQES-HNNXBMFYSA-N 0 0 387.455 3.896 20 10 GHCDRN Cc1ccc(-c2nnc(N(C)Cc3ccccc3O)n2C[C@H]2CCOC2)cc1F ZINC000812385215 890595070 /nfs/dbraw/zinc/59/50/70/890595070.db2.gz STDGDVPUYMOGHD-MRXNPFEDSA-N 0 0 396.466 3.771 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H]1COc2ccccc21 ZINC000812443972 890636238 /nfs/dbraw/zinc/63/62/38/890636238.db2.gz UFMUJAVVCLBAKB-IBGZPJMESA-N 0 0 379.504 3.995 20 10 GHCDRN CC[C@H](Nc1cc(CS(C)(=O)=O)ccc1OC)c1ccc(N(C)C)cc1 ZINC000287670642 913476650 /nfs/dbraw/zinc/47/66/50/913476650.db2.gz VTHOMUCFLAYZGN-SFHVURJKSA-N 0 0 376.522 3.869 20 10 GHCDRN O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)N1Cc2cccc(O)c2C1 ZINC000871198442 890691136 /nfs/dbraw/zinc/69/11/36/890691136.db2.gz IMEFSBGIOPYATK-UHFFFAOYSA-N 0 0 383.835 3.961 20 10 GHCDRN 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Cc1ccc([C@@H](C)NC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)o1 ZINC000918187114 893326846 /nfs/dbraw/zinc/32/68/46/893326846.db2.gz VCDCVMZJGAOTQE-OWCLPIDISA-N 0 0 389.471 3.901 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCc2ccccc2Cn2ccnc2)cc1 ZINC000918202231 893351240 /nfs/dbraw/zinc/35/12/40/893351240.db2.gz XAPNBIRYRACHCD-UHFFFAOYSA-N 0 0 391.519 3.777 20 10 GHCDRN CCc1nnc(-c2cccc(NCc3ccc(N4CCC(O)CC4)cc3)c2)o1 ZINC000876867302 893368333 /nfs/dbraw/zinc/36/83/33/893368333.db2.gz USPGESMTEUIONL-UHFFFAOYSA-N 0 0 378.476 3.872 20 10 GHCDRN CCCCN(C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C1CC1 ZINC000918222695 893394316 /nfs/dbraw/zinc/39/43/16/893394316.db2.gz WMWQHWSNIILPHY-IYBDPMFKSA-N 0 0 377.504 3.913 20 10 GHCDRN Cc1cc(C(=O)CN2CCC3(CC2)OCCCO3)c(C)n1-c1cccc(F)c1 ZINC000815157834 893497194 /nfs/dbraw/zinc/49/71/94/893497194.db2.gz XAJVDUPHEOBFTB-UHFFFAOYSA-N 0 0 386.467 3.645 20 10 GHCDRN Cc1cc(C(=O)N(C)Cc2ccn(-c3ccccc3)n2)c(C)n1-c1ccccn1 ZINC000918347939 893532575 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CCc1nc([C@H](C)NC(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)cs1 ZINC000823030921 898797730 /nfs/dbraw/zinc/79/77/30/898797730.db2.gz CRXCAIRIRZLFCA-LSDHHAIUSA-N 0 0 388.537 3.601 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)NCC3(c4cccc(F)c4)CC3)C2)cc1 ZINC000823110393 898830865 /nfs/dbraw/zinc/83/08/65/898830865.db2.gz SLGLFAZOQGFQQB-KRWDZBQOSA-N 0 0 397.494 3.692 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)NCCOC3CCCCCC3)C2)cc1 ZINC000823083655 898840868 /nfs/dbraw/zinc/84/08/68/898840868.db2.gz YDWCTNSFUFPQCB-GOSISDBHSA-N 0 0 389.540 3.560 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3cccc4c3OCC[C@@H]4OC)C2)cc1 ZINC000823087934 898841673 /nfs/dbraw/zinc/84/16/73/898841673.db2.gz CELSQVGTEVQYCG-QRWLVFNGSA-N 0 0 397.475 3.566 20 10 GHCDRN CCC(CC)(CNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)SC ZINC000823168529 898887137 /nfs/dbraw/zinc/88/71/37/898887137.db2.gz WLGADAXVZZJFDX-MRXNPFEDSA-N 0 0 379.570 3.743 20 10 GHCDRN COc1cccc(CNC(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)c1O ZINC000155682743 899000748 /nfs/dbraw/zinc/00/07/48/899000748.db2.gz YZMSSSJRYBSTIU-HNNXBMFYSA-N 0 0 390.308 3.782 20 10 GHCDRN C[C@H](CS(C)(=O)=O)N(Cc1ccc(N(C)Cc2cccs2)cc1)C1CC1 ZINC000823452524 899035142 /nfs/dbraw/zinc/03/51/42/899035142.db2.gz BFRSKXQDXIGJDB-MRXNPFEDSA-N 0 0 392.590 3.782 20 10 GHCDRN COc1c([O-])c(C[NH2+]CCCOc2ccc(Cl)cc2C)ccc1[N+](=O)[O-] ZINC000774972005 914309415 /nfs/dbraw/zinc/30/94/15/914309415.db2.gz BJNBCNJKISCHHF-UHFFFAOYSA-N 0 0 380.828 3.830 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2cnn(C)c2-n2c(C)ccc2C)cc1F ZINC001136729431 899064909 /nfs/dbraw/zinc/06/49/09/899064909.db2.gz ANEQFANEDIKTKD-UHFFFAOYSA-N 0 0 397.498 3.743 20 10 GHCDRN CC(C)[C@H]1N(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC12CCCC2 ZINC000823523909 899071580 /nfs/dbraw/zinc/07/15/80/899071580.db2.gz MASIYCVBIINFMO-OAQYLSRUSA-N 0 0 385.552 3.758 20 10 GHCDRN Cc1ccc([C@H]2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)C2)cc1 ZINC000823542288 899080020 /nfs/dbraw/zinc/08/00/20/899080020.db2.gz GCSPMXZFQORRGL-NRFANRHFSA-N 0 0 393.531 3.655 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N(Cc1cccc(F)c1)C1CC1 ZINC000823559887 899114801 /nfs/dbraw/zinc/11/48/01/899114801.db2.gz UWDJSYMPSLOFJQ-UHFFFAOYSA-N 0 0 397.494 3.661 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000778740482 899190671 /nfs/dbraw/zinc/19/06/71/899190671.db2.gz VVDGIFJYEOVHID-LLVKDONJSA-N 0 0 393.827 3.565 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N3Cc4cccc(Cl)c4C3)C2)cc1 ZINC000823732688 899207165 /nfs/dbraw/zinc/20/71/65/899207165.db2.gz HUAYPPIZQVHTOH-OAHLLOKOSA-N 0 0 385.895 3.900 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N(C)Cc3ccc(F)cc3F)C2)cc1 ZINC000823719479 899218074 /nfs/dbraw/zinc/21/80/74/899218074.db2.gz PXPGZSKKTPHARL-OAHLLOKOSA-N 0 0 389.446 3.641 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N3CCC[C@@H](C(F)(F)F)C3)C2)cc1 ZINC000823719725 899220322 /nfs/dbraw/zinc/22/03/22/899220322.db2.gz SRBIAQGUKQCGST-HUUCEWRRSA-N 0 0 385.430 3.505 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@@H]3c3cccc(F)c3)C2)cc1 ZINC000823726436 899223557 /nfs/dbraw/zinc/22/35/57/899223557.db2.gz UGESURCKWRYHME-IIBYNOLFSA-N 0 0 383.467 3.817 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N3CCc4cccc(F)c4[C@@H]3C)C2)cc1 ZINC000823725445 899223812 /nfs/dbraw/zinc/22/38/12/899223812.db2.gz BWJMVBDQNOAXCT-IRXDYDNUSA-N 0 0 397.494 3.990 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N[C@H]3CCc4c3cccc4C)C2)cc1 ZINC000823726359 899224804 /nfs/dbraw/zinc/22/48/04/899224804.db2.gz SFKIKWGMLXXJFL-JTSKRJEESA-N 0 0 379.504 3.817 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N3CCc4cc(C)ccc4C3)C2)cc1 ZINC000823726177 899225001 /nfs/dbraw/zinc/22/50/01/899225001.db2.gz OVWARUWFXAXECB-SFHVURJKSA-N 0 0 379.504 3.598 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3CCc4c3cccc4C)C2)cc1 ZINC000823726360 899225099 /nfs/dbraw/zinc/22/50/99/899225099.db2.gz SFKIKWGMLXXJFL-VGOFRKELSA-N 0 0 379.504 3.817 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N(C)C[C@@H](C)c3ccccc3)C2)cc1 ZINC000823727000 899225623 /nfs/dbraw/zinc/22/56/23/899225623.db2.gz ZJNRHRGDMYBLOP-MOPGFXCFSA-N 0 0 381.520 3.967 20 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899639332 /nfs/dbraw/zinc/63/93/32/899639332.db2.gz MOIRRCIVRYLFRF-LTFXSFKNSA-N 0 0 391.515 3.549 20 10 GHCDRN C[C@@H](CCCCO)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000824655067 899740201 /nfs/dbraw/zinc/74/02/01/899740201.db2.gz TUWYUZWMDUMKQR-VIFPVBQESA-N 0 0 381.108 3.558 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N3CC(Cc4ccccc4C)C3)C2)cc1 ZINC000824686232 899765669 /nfs/dbraw/zinc/76/56/69/899765669.db2.gz KXXTUJOKBFFALR-IBGZPJMESA-N 0 0 393.531 3.714 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(F)cc1OCC(F)F ZINC000571197238 899777749 /nfs/dbraw/zinc/77/77/49/899777749.db2.gz GNKONMBMQWYEOB-UHFFFAOYSA-N 0 0 395.381 3.967 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)c1ncc(C(=O)OC)s1 ZINC000824777931 899801696 /nfs/dbraw/zinc/80/16/96/899801696.db2.gz NYMSUAGESPORDK-CYBMUJFWSA-N 0 0 391.493 3.708 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1C(=O)C1=CC(=O)CS1 ZINC000824831472 899853849 /nfs/dbraw/zinc/85/38/49/899853849.db2.gz ULVWSFWSXMYLSI-CABCVRRESA-N 0 0 380.510 3.848 20 10 GHCDRN Cc1cc(C(=O)CN2CCC[C@@H]2c2nncn2C)c(C)n1-c1ccc(C)c(F)c1 ZINC000156654910 899934566 /nfs/dbraw/zinc/93/45/66/899934566.db2.gz XRWOWECGBNWRSR-HXUWFJFHSA-N 0 0 395.482 3.690 20 10 GHCDRN CO[C@H]([C@@H](C)[NH2+]Cc1cc(Br)cc(Br)c1[O-])C1CC1 ZINC000825098356 899951899 /nfs/dbraw/zinc/95/18/99/899951899.db2.gz HKJKJGMZWUKBHC-XLKFXECMSA-N 0 0 393.119 3.820 20 10 GHCDRN COc1c([O-])c(C[NH2+]C[C@H]2CCN(c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-] ZINC000774992514 914405178 /nfs/dbraw/zinc/40/51/78/914405178.db2.gz PWNHLTQIELNPAG-CYBMUJFWSA-N 0 0 391.855 3.579 20 10 GHCDRN COc1cc(CNc2ccccc2CN2CCNC2=O)c(O)c(C(C)(C)C)c1 ZINC000825455832 900175679 /nfs/dbraw/zinc/17/56/79/900175679.db2.gz OOYUIWKECKCOOZ-UHFFFAOYSA-N 0 0 383.492 3.836 20 10 GHCDRN Cc1cc(C(=O)NC[C@H]2CCSC2)c(C)n1-c1ccc(Br)cn1 ZINC000843873504 900252427 /nfs/dbraw/zinc/25/24/27/900252427.db2.gz OBTNHCJGYROXNS-CYBMUJFWSA-N 0 0 394.338 3.735 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CS[C@@H](C)C2)c(C)n1-c1ccc(Br)cn1 ZINC000843905326 900318305 /nfs/dbraw/zinc/31/83/05/900318305.db2.gz CQSUFTDFDYNPOE-SMDDNHRTSA-N 0 0 394.338 3.875 20 10 GHCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCOc3ccc(Br)cc32)cc1 ZINC000844307751 900697256 /nfs/dbraw/zinc/69/72/56/900697256.db2.gz TXAOSEFREDUAHW-MRXNPFEDSA-N 0 0 389.293 3.698 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1c(Cl)oc2ccccc21 ZINC000844342071 900715441 /nfs/dbraw/zinc/71/54/41/900715441.db2.gz YPHUWEHDWNEYFK-UHFFFAOYSA-N 0 0 388.826 3.992 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCc1cn2ccccc2n1 ZINC000045426478 900738878 /nfs/dbraw/zinc/73/88/78/900738878.db2.gz QUBPUNAUVPDLAE-UHFFFAOYSA-N 0 0 391.519 3.709 20 10 GHCDRN COc1ccc(N(C)CC(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1 ZINC000844353705 900754565 /nfs/dbraw/zinc/75/45/65/900754565.db2.gz WKCCQJXXOPUHJE-UHFFFAOYSA-N 0 0 376.840 3.585 20 10 GHCDRN COc1ccc(N(C)CCN(C)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 ZINC000844402498 900800435 /nfs/dbraw/zinc/80/04/35/900800435.db2.gz ZWSZZWOSJPAYKA-UHFFFAOYSA-N 0 0 386.521 3.591 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2cnn(-c3ccccc3)c2C)cc1 ZINC000844567133 901040369 /nfs/dbraw/zinc/04/03/69/901040369.db2.gz NZKVMOJYXRQHCC-UHFFFAOYSA-N 0 0 393.491 3.789 20 10 GHCDRN O=S(=O)(c1cc(F)ccc1Cl)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000158132049 901048483 /nfs/dbraw/zinc/04/84/83/901048483.db2.gz NROKGSCAVPHULJ-HNNXBMFYSA-N 0 0 399.871 3.555 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2cc(OC)c(C)c(OC)c2)cc1 ZINC000844685778 901179295 /nfs/dbraw/zinc/17/92/95/901179295.db2.gz CSKDJTSNBLGZFE-UHFFFAOYSA-N 0 0 387.480 3.621 20 10 GHCDRN C[C@H]([NH2+]C[C@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1cc(Br)cc(F)c1[O-] ZINC000886763817 901259717 /nfs/dbraw/zinc/25/97/17/901259717.db2.gz GEHLBKOJAGCMQG-WYFUGZQLSA-N 0 0 388.277 3.671 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)c2nc(C)oc2-c2ccccc2)cc1 ZINC000844855748 901359705 /nfs/dbraw/zinc/35/97/05/901359705.db2.gz GZSRGDWKLJHSKD-UHFFFAOYSA-N 0 0 379.460 3.867 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)NCc2ccc(OC(F)F)cc2)cc1 ZINC000844863541 901373235 /nfs/dbraw/zinc/37/32/35/901373235.db2.gz RWJIRZPYDNXATR-UHFFFAOYSA-N 0 0 393.434 3.574 20 10 GHCDRN Cc1cc(C)n(Cc2ccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)n1 ZINC000139713079 901404034 /nfs/dbraw/zinc/40/40/34/901404034.db2.gz SVRSCRLIVOSZKX-UHFFFAOYSA-N 0 0 376.504 3.886 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccc([C@@H]3CCCOC3)cc2)cc1 ZINC000844854701 901450670 /nfs/dbraw/zinc/45/06/70/901450670.db2.gz DBMWNWYAZMMANT-HXUWFJFHSA-N 0 0 382.504 3.798 20 10 GHCDRN CC(C)C(=O)N1CCC[C@]12CC[N@H+](Cc1cc(Br)c(F)cc1[O-])C2 ZINC001144299815 901652235 /nfs/dbraw/zinc/65/22/35/901652235.db2.gz JJOLHRZGYSDBNB-GOSISDBHSA-N 0 0 399.304 3.517 20 10 GHCDRN COc1cc(C)cc(/C=C2/SC(=S)N(Cc3cc(C)on3)C2=O)c1OC ZINC000887272468 901707336 /nfs/dbraw/zinc/70/73/36/901707336.db2.gz NUKQYCNZBGFVCY-OVCLIPMQSA-N 0 0 390.486 3.710 20 10 GHCDRN C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)NCc1ccc(O)c(O)c1 ZINC000778925695 901711636 /nfs/dbraw/zinc/71/16/36/901711636.db2.gz NVCGJDYGYKTOSO-INIZCTEOSA-N 0 0 377.440 3.772 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1C(=O)NCCCSc1nccs1 ZINC001144322463 901736572 /nfs/dbraw/zinc/73/65/72/901736572.db2.gz SCVPDGQSPXZZTR-CYBMUJFWSA-N 0 0 399.582 3.777 20 10 GHCDRN CN(C)c1ccc(CNC(=O)c2ccccc2CCNC(=O)OC(C)(C)C)cc1 ZINC000845100868 901778322 /nfs/dbraw/zinc/77/83/22/901778322.db2.gz DMSRCDGXORVSOY-UHFFFAOYSA-N 0 0 397.519 3.750 20 10 GHCDRN COc1nc(NCc2cc(Br)ccc2O)ncc1C(F)(F)F ZINC001171174376 902043397 /nfs/dbraw/zinc/04/33/97/902043397.db2.gz QPQWKPFQPNHPTE-UHFFFAOYSA-N 0 0 378.148 3.584 20 10 GHCDRN CC(C)(C)C[C@H]1CCCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000140874496 902059393 /nfs/dbraw/zinc/05/93/93/902059393.db2.gz QNZFCWSVRSONAC-QGZVFWFLSA-N 0 0 377.504 3.773 20 10 GHCDRN CCC(=O)c1cccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000772922094 902173511 /nfs/dbraw/zinc/17/35/11/902173511.db2.gz WDOUXWGQRAQTMT-UHFFFAOYSA-N 0 0 388.533 3.945 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000158876237 902251553 /nfs/dbraw/zinc/25/15/53/902251553.db2.gz GPJWDFUQNUZKJE-LEWJYISDSA-N 0 0 394.471 3.652 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3snc(Cl)c3Cl)CC2)cc1F ZINC000845748957 902365914 /nfs/dbraw/zinc/36/59/14/902365914.db2.gz YYSSTHANAKIXLJ-UHFFFAOYSA-N 0 0 390.267 3.560 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cnc2n1[C@@H](C)CCC2 ZINC000845805812 902383328 /nfs/dbraw/zinc/38/33/28/902383328.db2.gz LTOXEWRWQUULDG-LBPRGKRZSA-N 0 0 392.297 3.911 20 10 GHCDRN Cc1noc(C)c1CSc1ccccc1C(=O)NCc1ccc(O)c(O)c1 ZINC000159083295 902542139 /nfs/dbraw/zinc/54/21/39/902542139.db2.gz XLCBPZIRCQSMNQ-UHFFFAOYSA-N 0 0 384.457 3.925 20 10 GHCDRN COc1cc(NCc2ccc(N3CCOCC3)c(F)c2)cc(Cl)c1OC ZINC000846047988 902631437 /nfs/dbraw/zinc/63/14/37/902631437.db2.gz BMRNCTUKGGXVDT-UHFFFAOYSA-N 0 0 380.847 3.945 20 10 GHCDRN C[C@H](COCC1CC1)NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000846144401 902750253 /nfs/dbraw/zinc/75/02/53/902750253.db2.gz CTFUGNMBWFPGEE-OAHLLOKOSA-N 0 0 380.448 3.972 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](Cc2ccccc2)c2nccn2C)c1 ZINC000846206541 902755646 /nfs/dbraw/zinc/75/56/46/902755646.db2.gz DIXNPVIXXHURMH-HNAYVOBHSA-N 0 0 379.460 3.547 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1ccc2ccccc2n1 ZINC000264011360 902767177 /nfs/dbraw/zinc/76/71/77/902767177.db2.gz SDYPEZMJWNWBTJ-UHFFFAOYSA-N 0 0 389.499 3.663 20 10 GHCDRN CCOc1ccc(Cl)cc1CC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775037821 914665499 /nfs/dbraw/zinc/66/54/99/914665499.db2.gz DEEZJFVBRBNUAS-UHFFFAOYSA-N 0 0 380.828 3.693 20 10 GHCDRN COc1cccc(CNC(=O)Nc2ccccc2OC[C@H]2CCCCO2)c1O ZINC000264235789 902945571 /nfs/dbraw/zinc/94/55/71/902945571.db2.gz MBAXWRMQZIWOEL-MRXNPFEDSA-N 0 0 386.448 3.670 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2cccc(CO)c2)cc1 ZINC000264355276 903041644 /nfs/dbraw/zinc/04/16/44/903041644.db2.gz AEVNLPUOQOFGBF-UHFFFAOYSA-N 0 0 393.487 3.750 20 10 GHCDRN CC(C)(C)c1cccc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000846827179 903219717 /nfs/dbraw/zinc/21/97/17/903219717.db2.gz CSWKRRBESRWMMG-IBGZPJMESA-N 0 0 393.531 3.616 20 10 GHCDRN O=C(Nc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1)C1CC1 ZINC000264614455 903247167 /nfs/dbraw/zinc/24/71/67/903247167.db2.gz AJXHNIMXEPYMAS-HXUWFJFHSA-N 0 0 394.471 3.562 20 10 GHCDRN COc1ccc(CNC(=O)c2cccc3c2CN(C(=O)OC(C)(C)C)C3)c(O)c1 ZINC000846948956 903341264 /nfs/dbraw/zinc/34/12/64/903341264.db2.gz DTEDQUCIRDGFCA-UHFFFAOYSA-N 0 0 398.459 3.582 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000801547999 921121326 /nfs/dbraw/zinc/12/13/26/921121326.db2.gz INXAXBIRHPZIQY-UHFFFAOYSA-N 0 0 394.431 3.929 20 10 GHCDRN C[C@@H](NC(=O)c1nnn(-c2ccccc2)c1C(F)F)c1ccc(N(C)C)cc1 ZINC000846978248 903386472 /nfs/dbraw/zinc/38/64/72/903386472.db2.gz NQBQDYRIUILFQK-CYBMUJFWSA-N 0 0 385.418 3.762 20 10 GHCDRN Cc1ccc([C@H](O)CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000303382817 914739065 /nfs/dbraw/zinc/73/90/65/914739065.db2.gz MXLRJPHVUKDKRH-JOCHJYFZSA-N 0 0 381.520 3.764 20 10 GHCDRN CN(CCN(C)c1ccc(NC(=O)c2cscn2)cc1)c1ccc(N)cc1 ZINC001147370113 903771945 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CC(C)(c1ccc(N)cc1)c1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1 ZINC001148588666 904129302 /nfs/dbraw/zinc/12/93/02/904129302.db2.gz ZEUYWUCDUAWTSV-UHFFFAOYSA-N 0 0 378.428 3.964 20 10 GHCDRN CCOc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000772995634 904207871 /nfs/dbraw/zinc/20/78/71/904207871.db2.gz QGQIBQDIUDZJIH-ZDUSSCGKSA-N 0 0 387.436 3.559 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(-c2ncco2)c1 ZINC000152133394 904236615 /nfs/dbraw/zinc/23/66/15/904236615.db2.gz HRGQPCSEJWDZDB-UHFFFAOYSA-N 0 0 392.459 3.842 20 10 GHCDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1SC ZINC000773004862 904358940 /nfs/dbraw/zinc/35/89/40/904358940.db2.gz BFVRXMASYCIAGK-GFCCVEGCSA-N 0 0 389.477 3.882 20 10 GHCDRN CC(C)Cn1nc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c2ccccc2c1=O ZINC000773006692 904361021 /nfs/dbraw/zinc/36/10/21/904361021.db2.gz FEDJYJSVBGKRNX-INIZCTEOSA-N 0 0 392.503 3.610 20 10 GHCDRN CC(C)C(=O)N(C)Cc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773008811 904363374 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C[C@H](NC(=O)NCc1ccc(-n2ccnc2)c(F)c1)c1ccc(N(C)C)cc1 ZINC000773248423 904612204 /nfs/dbraw/zinc/61/22/04/904612204.db2.gz ZLECCUNAXXUAMS-HNNXBMFYSA-N 0 0 381.455 3.638 20 10 GHCDRN CC(C)[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1nnc2ccccn21 ZINC000773263979 904625319 /nfs/dbraw/zinc/62/53/19/904625319.db2.gz CKKGAOLGMLWAKQ-HNAYVOBHSA-N 0 0 380.496 3.553 20 10 GHCDRN COc1cc(O)c(CN2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc1OC ZINC000160115858 904745327 /nfs/dbraw/zinc/74/53/27/904745327.db2.gz VTCRZPJNTPWEBT-IBGZPJMESA-N 0 0 381.831 3.775 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)Nc2cncnc2Br)c1 ZINC001186828439 914839684 /nfs/dbraw/zinc/83/96/84/914839684.db2.gz CPBSLOWBHDHWSS-UHFFFAOYSA-N 0 0 387.237 3.605 20 10 GHCDRN CCCCn1ncc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1C ZINC000160133004 904795615 /nfs/dbraw/zinc/79/56/15/904795615.db2.gz WQBCZYSGSOPAST-GOSISDBHSA-N 0 0 386.496 3.910 20 10 GHCDRN CC(=O)c1cc(Cl)cc(CN2c3cc(F)ccc3OC[C@@H]2CCO)c1O ZINC001171677974 904920025 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COCCCOc1cccc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773414989 907249057 /nfs/dbraw/zinc/24/90/57/907249057.db2.gz VAHIKVJAMNMVIG-QGZVFWFLSA-N 0 0 385.508 3.728 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(NC(=O)NCc2ccco2)cc1 ZINC000779474942 907259732 /nfs/dbraw/zinc/25/97/32/907259732.db2.gz GNVCIFCIPUKEHG-ONNFQVAWSA-N 0 0 393.399 3.664 20 10 GHCDRN Cc1nc(-c2ccc(CCNC(=O)/C=C\c3ccc(O)c(O)c3)cc2)cs1 ZINC000779493752 907313239 /nfs/dbraw/zinc/31/32/39/907313239.db2.gz ORAQEGTWKDCHNZ-UITAMQMPSA-N 0 0 380.469 3.902 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1cccc(NC(=O)c2ccccc2)c1 ZINC000779496822 907316289 /nfs/dbraw/zinc/31/62/89/907316289.db2.gz LQSOHZTZJZQDGO-BENRWUELSA-N 0 0 388.423 3.680 20 10 GHCDRN CC(C)(NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(Br)cc1 ZINC000779496928 907316539 /nfs/dbraw/zinc/31/65/39/907316539.db2.gz MREHCJFUEFBCHG-ONNFQVAWSA-N 0 0 376.250 3.925 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCCc1cccc(Br)c1 ZINC000779516082 907356879 /nfs/dbraw/zinc/35/68/79/907356879.db2.gz 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NC(=O)Cc1cccc(C(=O)c2ccccc2)c1Nc1ccc(-n2cccn2)cc1 ZINC001175370874 907524146 /nfs/dbraw/zinc/52/41/46/907524146.db2.gz CPXCKHIEONNKMF-UHFFFAOYSA-N 0 0 396.450 3.875 20 10 GHCDRN CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(F)nc3)SC2=S)cc1 ZINC000777404373 907579467 /nfs/dbraw/zinc/57/94/67/907579467.db2.gz ZJZXVENYIINRHP-ZROIWOOFSA-N 0 0 388.445 3.803 20 10 GHCDRN C[C@H](CCC(=O)NCc1c(O)ccc2c1CCCC2)NC(=O)OC(C)(C)C ZINC000192435569 907653982 /nfs/dbraw/zinc/65/39/82/907653982.db2.gz OEJVIVSYXMCAHK-CQSZACIVSA-N 0 0 376.497 3.581 20 10 GHCDRN COc1cc(N(c2ccc(N)cc2)S(=O)(=O)c2ccc(C)cc2)c(F)cn1 ZINC001175691847 907696766 /nfs/dbraw/zinc/69/67/66/907696766.db2.gz DFHQGGNUCFDYTD-UHFFFAOYSA-N 0 0 387.436 3.647 20 10 GHCDRN C[C@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185166079 907724769 /nfs/dbraw/zinc/72/47/69/907724769.db2.gz YNRSFWHRQXBTLJ-ZDUSSCGKSA-N 0 0 395.334 3.697 20 10 GHCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000192707411 907860116 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C[C@H](NC(=O)N[C@@H]1CCCN(c2ccccc2F)C1)c1ccc(N(C)C)cc1 ZINC000773613437 908439274 /nfs/dbraw/zinc/43/92/74/908439274.db2.gz WHNRVJJTPQJAJT-FUHWJXTLSA-N 0 0 384.499 3.921 20 10 GHCDRN C[C@H](NC(=O)N1CCO[C@H](CCc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000773619061 908443475 /nfs/dbraw/zinc/44/34/75/908443475.db2.gz QPLYXZTVCJYHHN-PGRDOPGGSA-N 0 0 381.520 3.857 20 10 GHCDRN COc1cccc2[nH]cc(CCNC(=O)N[C@H](C)c3ccc(N(C)C)cc3)c21 ZINC000773622330 908454174 /nfs/dbraw/zinc/45/41/74/908454174.db2.gz GORURYDTUCTOQL-OAHLLOKOSA-N 0 0 380.492 3.845 20 10 GHCDRN C[C@H](NC(=O)N[C@@H](c1nccn1C)c1ccccc1F)c1ccc(N(C)C)cc1 ZINC000773618052 908465208 /nfs/dbraw/zinc/46/52/08/908465208.db2.gz HENCGOLPQUXBQI-MGPUTAFESA-N 0 0 395.482 3.775 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 ZINC000193536640 908499618 /nfs/dbraw/zinc/49/96/18/908499618.db2.gz IXHLGLLAQAWWPT-UHFFFAOYSA-N 0 0 380.492 3.747 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000191117570 908579342 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CN(C)c1cc(F)c(C[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)cc1F ZINC001177864625 908781976 /nfs/dbraw/zinc/78/19/76/908781976.db2.gz NIUUZXBVGLLFNW-FQEVSTJZSA-N 0 0 383.483 3.814 20 10 GHCDRN Cc1ccc(F)c(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC000193903929 908789886 /nfs/dbraw/zinc/78/98/86/908789886.db2.gz MYNMOSYHDHUUKI-UHFFFAOYSA-N 0 0 382.391 3.600 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H](c1ccccc1)C1CC1 ZINC000194395312 908877956 /nfs/dbraw/zinc/87/79/56/908877956.db2.gz WZMACJRJEGIQSW-NRFANRHFSA-N 0 0 383.467 3.613 20 10 GHCDRN COC[C@H](NC(=O)N[C@H](C)c1cc(OC)ccc1O)c1ccc(Cl)cc1 ZINC000194666559 908910092 /nfs/dbraw/zinc/91/00/92/908910092.db2.gz KPXUVMMWUHDMSH-PXAZEXFGSA-N 0 0 378.856 3.802 20 10 GHCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])[C@H](O)Cc1ccccc1 ZINC001178249341 908951522 /nfs/dbraw/zinc/95/15/22/908951522.db2.gz NHWZKOIWRUVJON-BDJLRTHQSA-N 0 0 384.701 3.890 20 10 GHCDRN COc1ccccc1-n1ncc(C(=O)NCCCSc2nccs2)c1C ZINC000195259118 908990514 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3.921 20 10 GHCDRN CC1CCN(c2ccc(CNS(=O)(=O)Cc3ccc(F)cc3F)cc2)CC1 ZINC000779892390 909063757 /nfs/dbraw/zinc/06/37/57/909063757.db2.gz IGDUSYSXJFJBLB-UHFFFAOYSA-N 0 0 394.487 3.821 20 10 GHCDRN CCCOc1ccc(C(=O)CCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000773750904 909117659 /nfs/dbraw/zinc/11/76/59/909117659.db2.gz XTBHWQKCRGCOTF-OAHLLOKOSA-N 0 0 385.460 3.597 20 10 GHCDRN CC(=O)N(C)c1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000266769298 909294211 /nfs/dbraw/zinc/29/42/11/909294211.db2.gz SFTLRWLFITVFPA-HXUWFJFHSA-N 0 0 397.475 3.588 20 10 GHCDRN CCN1CC[C@H](NC(=O)NCc2ccccc2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000773809223 909440349 /nfs/dbraw/zinc/44/03/49/909440349.db2.gz MWBCXDXTUWOXIR-HKUYNNGSSA-N 0 0 391.874 3.819 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC001179252936 909442297 /nfs/dbraw/zinc/44/22/97/909442297.db2.gz LSPBIKGXQVKAGC-UHFFFAOYSA-N 0 0 390.155 3.905 20 10 GHCDRN O=C(Cc1cc(F)c(F)c(F)c1)NCc1cc(Cl)c2cccnc2c1O ZINC001179959483 909868545 /nfs/dbraw/zinc/86/85/45/909868545.db2.gz SEAGYZRJPAYHFN-UHFFFAOYSA-N 0 0 380.753 3.870 20 10 GHCDRN CN(C)c1ccc(/C=C/C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC(C)(C)C)cc1 ZINC001180126266 909972862 /nfs/dbraw/zinc/97/28/62/909972862.db2.gz LXEJOUGGAMCVIA-DQXYIAAMSA-N 0 0 384.520 3.735 20 10 GHCDRN CCOc1ccc(/C=C2/SC(=S)N(Cc3ccon3)C2=O)cc1OCC ZINC000268702947 909979518 /nfs/dbraw/zinc/97/95/18/909979518.db2.gz AGFMBCHGJWHMNV-MHWRWJLKSA-N 0 0 390.486 3.873 20 10 GHCDRN CSc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1Cl ZINC000773846376 910053290 /nfs/dbraw/zinc/05/32/90/910053290.db2.gz KVLOBFJDAZNNOX-LBPRGKRZSA-N 0 0 391.924 3.944 20 10 GHCDRN CN(c1ccc(CN2C(=O)N[C@H](c3ccccn3)C2=O)cc1)C1CCCCC1 ZINC000773846251 910053672 /nfs/dbraw/zinc/05/36/72/910053672.db2.gz MSOAGZGIAJPHOR-HXUWFJFHSA-N 0 0 378.476 3.644 20 10 GHCDRN CC[C@@H](C)Oc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773846369 910053712 /nfs/dbraw/zinc/05/37/12/910053712.db2.gz KITADASFXVNEAY-HZPDHXFCSA-N 0 0 383.492 3.746 20 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/nfs/dbraw/zinc/17/67/31/910176731.db2.gz VLONMLFAAIFJJL-SNAWJCMRSA-N 0 0 381.495 3.930 20 10 GHCDRN C[C@@H](NC(=O)c1ccccc1/N=N/c1ccc(N(C)C)cc1)c1nncn1C ZINC000269462045 910276934 /nfs/dbraw/zinc/27/69/34/910276934.db2.gz MUSSGHYRAYVHSV-ADPQETAKSA-N 0 0 377.452 3.788 20 10 GHCDRN COC(=O)c1c(CN2Cc3ccccc3OC[C@H]2C)c2cc(F)ccc2n1C ZINC001180812434 910380787 /nfs/dbraw/zinc/38/07/87/910380787.db2.gz ZQVQUVJWMUIFPT-CQSZACIVSA-N 0 0 382.435 3.887 20 10 GHCDRN CCCc1cccc(/C=C2\SC(=S)N(CCCN3CCOCC3)C2=O)c1 ZINC000773899524 910525433 /nfs/dbraw/zinc/52/54/33/910525433.db2.gz OUKXVEUKUMMNFE-SDXDJHTJSA-N 0 0 390.574 3.563 20 10 GHCDRN C[C@@H]1CN(c2ccc(NCc3ccc(Br)cc3O)cn2)C[C@@H](C)O1 ZINC001181350455 910720158 /nfs/dbraw/zinc/72/01/58/910720158.db2.gz SAQIWBQJAUGUAG-CHWSQXEVSA-N 0 0 392.297 3.775 20 10 GHCDRN CCc1cccc(CNc2ccc(NS(=O)(=O)Cc3ccccc3)cn2)c1O ZINC001181427835 910751528 /nfs/dbraw/zinc/75/15/28/910751528.db2.gz OUFKWZHPMQISGK-UHFFFAOYSA-N 0 0 397.500 3.904 20 10 GHCDRN O=C(/C=C/c1ccc2[nH]ccc2c1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000271025513 910759484 /nfs/dbraw/zinc/75/94/84/910759484.db2.gz VUXLADUALMIZOM-ZZXKWVIFSA-N 0 0 393.462 3.598 20 10 GHCDRN Cc1c(F)cccc1CC(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001181708021 910923781 /nfs/dbraw/zinc/92/37/81/910923781.db2.gz NVNHEVMJGDPUAZ-UHFFFAOYSA-N 0 0 396.384 3.924 20 10 GHCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC12CCC2 ZINC000271548417 910951055 /nfs/dbraw/zinc/95/10/55/910951055.db2.gz MMFOBSURYNKTQR-MRXNPFEDSA-N 0 0 389.515 3.509 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCC(=O)c1ccc(NC(C)=O)cc1 ZINC001182065395 911165995 /nfs/dbraw/zinc/16/59/95/911165995.db2.gz OGIQTWAWLGDLFP-UHFFFAOYSA-N 0 0 395.503 3.723 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC(CCOC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000795562923 911198154 /nfs/dbraw/zinc/19/81/54/911198154.db2.gz YFSJUYBKNXMZCZ-FNORWQNLSA-N 0 0 391.464 3.691 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC(CCOC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000795562921 911198792 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CCCCN(C)C(=O)C1CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000092145762 911423432 /nfs/dbraw/zinc/42/34/32/911423432.db2.gz LZUSFWMYCIDYOA-UHFFFAOYSA-N 0 0 383.330 3.625 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000283374360 911485207 /nfs/dbraw/zinc/48/52/07/911485207.db2.gz CTROCJYZQJVSNR-YLJYHZDGSA-N 0 0 378.538 3.759 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2oc(CC)nc2c1 ZINC000283726767 911626289 /nfs/dbraw/zinc/62/62/89/911626289.db2.gz YEPQUKWPIYIKSG-UHFFFAOYSA-N 0 0 395.459 3.863 20 10 GHCDRN O=C(NC[C@H]1COC2(CCCC2)O1)N(Cc1ccccc1O)C1CCCCC1 ZINC000774313129 911641206 /nfs/dbraw/zinc/64/12/06/911641206.db2.gz YTACICLPIZWGHR-IBGZPJMESA-N 0 0 388.508 3.922 20 10 GHCDRN O=C(c1cccc(N2CCCC2=O)c1)N(Cc1ccco1)Cc1ccccc1O ZINC000248073004 911660767 /nfs/dbraw/zinc/66/07/67/911660767.db2.gz YRAJIBMYWHJFTD-UHFFFAOYSA-N 0 0 390.439 3.955 20 10 GHCDRN O=C(Nc1ccc(OC(F)F)nc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000801957140 921685304 /nfs/dbraw/zinc/68/53/04/921685304.db2.gz 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ZINC000775082478 915003637 /nfs/dbraw/zinc/00/36/37/915003637.db2.gz FUKJOLIYFZYGNK-MRXNPFEDSA-N 0 0 378.266 3.857 20 10 GHCDRN COc1ccc(N2CCN(C(=O)CNc3ccccc3OC(C)(C)C)CC2)cc1 ZINC000303646856 915033170 /nfs/dbraw/zinc/03/31/70/915033170.db2.gz IUOCTNOOBYZCDK-UHFFFAOYSA-N 0 0 397.519 3.633 20 10 GHCDRN CCOC(=O)c1ccc(NC(=O)N2CCN(c3ccc(OC)cc3C)CC2)cc1 ZINC001187275574 915143153 /nfs/dbraw/zinc/14/31/53/915143153.db2.gz RLBOLYPILHIALR-UHFFFAOYSA-N 0 0 397.475 3.534 20 10 GHCDRN Cc1cc(C(=O)N2CCC(F)(F)[C@@H](CO)C2)c(C)n1-c1cccc(Cl)c1 ZINC000291389049 915147650 /nfs/dbraw/zinc/14/76/50/915147650.db2.gz ZGHFUBUFIRRDFR-CQSZACIVSA-N 0 0 382.838 3.837 20 10 GHCDRN Cc1ccoc1C(=O)NCCCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000303815270 915169392 /nfs/dbraw/zinc/16/93/92/915169392.db2.gz ZUOJAPMLBKPKGU-UHFFFAOYSA-N 0 0 393.487 3.854 20 10 GHCDRN Cc1ccccc1-c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCOC1 ZINC000291567445 915253479 /nfs/dbraw/zinc/25/34/79/915253479.db2.gz OPCZIFOQFHOUAD-QGZVFWFLSA-N 0 0 378.476 3.632 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DMFCSCBQJQCILN-SDDDUWNISA-N 0 0 376.497 3.519 20 10 GHCDRN COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(N3CCCC3)cc2C)c1 ZINC000775372721 917251127 /nfs/dbraw/zinc/25/11/27/917251127.db2.gz HCLCETXGQBEYNT-MRXNPFEDSA-N 0 0 383.492 3.599 20 10 GHCDRN C[C@@H](NC(=O)[C@@](C)(O)c1cccc(C(F)(F)F)c1)c1ccc(N(C)C)cc1 ZINC000775408167 917526903 /nfs/dbraw/zinc/52/69/03/917526903.db2.gz XIRDKPXTROVVOJ-YJYMSZOUSA-N 0 0 380.410 3.856 20 10 GHCDRN C[C@@H](NC(=O)c1sccc1NC(=O)c1ccncc1)c1ccc(N(C)C)cc1 ZINC000775407301 917528495 /nfs/dbraw/zinc/52/84/95/917528495.db2.gz RQMYJRKREUOXFE-CQSZACIVSA-N 0 0 394.500 3.952 20 10 GHCDRN CC(C)S(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775406891 917549116 /nfs/dbraw/zinc/54/91/16/917549116.db2.gz PYGNMYBZXVNTDA-AWEZNQCLSA-N 0 0 392.496 3.565 20 10 GHCDRN COC(=O)[C@H](C)Sc1ccccc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775412388 917570429 /nfs/dbraw/zinc/57/04/29/917570429.db2.gz XLTQHEIBHASJTA-CABCVRRESA-N 0 0 386.517 3.897 20 10 GHCDRN CNC(=O)Nc1cc(NCc2cc(C)cc(Br)c2O)ccc1F ZINC000796467473 917577341 /nfs/dbraw/zinc/57/73/41/917577341.db2.gz DQYCZICLBMYHRG-UHFFFAOYSA-N 0 0 382.233 3.966 20 10 GHCDRN CN(C)c1ccc(N=Nc2cccc(C(=O)N[C@H]3CCCNC(=O)C3)c2)cc1 ZINC001190973436 917675533 /nfs/dbraw/zinc/67/55/33/917675533.db2.gz DZUJLBZDBGPKMH-KRWDZBQOSA-N 0 0 379.464 3.567 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)Nc2cn(C)nc2C2CC2)CCCC1 ZINC000652266313 917856505 /nfs/dbraw/zinc/85/65/05/917856505.db2.gz ASWGGHQLLQKZCY-UHFFFAOYSA-N 0 0 378.476 3.778 20 10 GHCDRN Cc1cc(C(=O)N2C[C@@H](C)O[C@]3(CCCOC3)C2)c(C)n1-c1ccccc1C ZINC000796504121 917872346 /nfs/dbraw/zinc/87/23/46/917872346.db2.gz JKOPCTLILZRZFX-WZONZLPQSA-N 0 0 382.504 3.813 20 10 GHCDRN COCCOc1ccc(N2CCN(C(=O)Nc3cc(F)ccc3C)CC2)cc1 ZINC001191398867 917957371 /nfs/dbraw/zinc/95/73/71/917957371.db2.gz QCMADIHVYKQQSE-UHFFFAOYSA-N 0 0 387.455 3.513 20 10 GHCDRN Cc1c(C)n(C)c2ccc(OS(=O)(=O)CCc3noc4ccccc34)cc12 ZINC001191474357 918010918 /nfs/dbraw/zinc/01/09/18/918010918.db2.gz 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918417671 /nfs/dbraw/zinc/41/76/71/918417671.db2.gz QPJPSRKAWMRYTP-UHFFFAOYSA-N 0 0 398.528 3.746 20 10 GHCDRN CC(=O)N(c1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1)C1CC1 ZINC000296704753 918600638 /nfs/dbraw/zinc/60/06/38/918600638.db2.gz AIOJDFCMXRFBEF-UHFFFAOYSA-N 0 0 390.487 3.900 20 10 GHCDRN C[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000297376876 919278640 /nfs/dbraw/zinc/27/86/40/919278640.db2.gz QTVWIRYKSJDSDL-VOMCLLRMSA-N 0 0 380.337 3.953 20 10 GHCDRN CC(=O)CCc1ccc(O[C@H](C)C(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000115282178 919446600 /nfs/dbraw/zinc/44/66/00/919446600.db2.gz SFGBJEKYEHEOTC-GOSISDBHSA-N 0 0 382.504 3.666 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000115752532 919470328 /nfs/dbraw/zinc/47/03/28/919470328.db2.gz HVXQFZVYBCTSFW-UHFFFAOYSA-N 0 0 375.856 3.807 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000115854622 919474408 /nfs/dbraw/zinc/47/44/08/919474408.db2.gz OSYKNVOWMGHIGB-UHFFFAOYSA-N 0 0 395.503 3.571 20 10 GHCDRN Cc1c(Cl)cccc1OCC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000119377907 919623795 /nfs/dbraw/zinc/62/37/95/919623795.db2.gz ICLLUJUXGQCVQZ-INIZCTEOSA-N 0 0 388.895 3.741 20 10 GHCDRN Cn1ccnc1CNc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000900188637 919969745 /nfs/dbraw/zinc/96/97/45/919969745.db2.gz XWMSEKFLSPPIHJ-UHFFFAOYSA-N 0 0 389.503 3.562 20 10 GHCDRN CCN(C(=O)Cc1ccc(N)cc1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000364848574 920079865 /nfs/dbraw/zinc/07/98/65/920079865.db2.gz AUUGVRSDXQTAAW-UHFFFAOYSA-N 0 0 395.551 3.551 20 10 GHCDRN COc1ccc(O)c(CN(CCNC(C)=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000800533841 920249598 /nfs/dbraw/zinc/24/95/98/920249598.db2.gz SVXCUDGWBROROP-UHFFFAOYSA-N 0 0 397.302 3.846 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1sc(-c2ccn(C)n2)nc1C ZINC000900401723 920278696 /nfs/dbraw/zinc/27/86/96/920278696.db2.gz YUZSGLSEKLBALG-UHFFFAOYSA-N 0 0 397.548 3.509 20 10 GHCDRN CC(C)NC(=O)CCCC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000800570496 920279724 /nfs/dbraw/zinc/27/97/24/920279724.db2.gz PTZQSSQSDDWSHV-MRXNPFEDSA-N 0 0 393.959 3.887 20 10 GHCDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1CCc2nccn2C1 ZINC000365001653 920287115 /nfs/dbraw/zinc/28/71/15/920287115.db2.gz QTKMRBKLOBBULO-PXNSSMCTSA-N 0 0 375.472 3.941 20 10 GHCDRN CCN(CCOCCO)C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000800605562 920310358 /nfs/dbraw/zinc/31/03/58/920310358.db2.gz OQVYHKSFHKDGAT-UHFFFAOYSA-N 0 0 384.480 3.639 20 10 GHCDRN COc1cc(O)c(CN[C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)cc1OC ZINC000365045558 920334116 /nfs/dbraw/zinc/33/41/16/920334116.db2.gz OJUNHMRJADLZPS-HXUWFJFHSA-N 0 0 387.867 3.676 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC(C)(CO)CC3)cc2Cl)C1 ZINC000800718620 920389402 /nfs/dbraw/zinc/38/94/02/920389402.db2.gz BOLIZGVWOXVRBU-INIZCTEOSA-N 0 0 393.959 3.880 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)N[C@@](C)(CO)C3CC3)cc2Cl)C1 ZINC000800718731 920390566 /nfs/dbraw/zinc/39/05/66/920390566.db2.gz CWDPLWYVDVLOLB-XOBRGWDASA-N 0 0 379.932 3.537 20 10 GHCDRN O=C(NC[C@@H]1CCCC(F)(F)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000800718758 920390690 /nfs/dbraw/zinc/39/06/90/920390690.db2.gz MPBFVWNHXOQCHJ-WBVHZDCISA-N 0 0 382.451 3.908 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCCC[C@H]3O)cc2Cl)C1 ZINC000800719618 920391128 /nfs/dbraw/zinc/39/11/28/920391128.db2.gz MCTNSOLYMGDAKF-LSBZLQRGSA-N 0 0 379.932 3.679 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)N[C@]3(C)CCCOC3)cc2Cl)C1 ZINC000800719238 920392281 /nfs/dbraw/zinc/39/22/81/920392281.db2.gz IKGFZOZPMHLIKC-MGPUTAFESA-N 0 0 379.932 3.945 20 10 GHCDRN C[C@H](O)C[C@H](C)CNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000800720345 920394015 /nfs/dbraw/zinc/39/40/15/920394015.db2.gz RWPPHOGMSLWJPK-PMPSAXMXSA-N 0 0 381.948 3.783 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000800746305 920415945 /nfs/dbraw/zinc/41/59/45/920415945.db2.gz QUBVEEGYABRWFO-CQSZACIVSA-N 0 0 395.228 3.569 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCc1nc(-c2ccccn2)no1 ZINC000298504289 920605152 /nfs/dbraw/zinc/60/51/52/920605152.db2.gz MKYSMAPYJSZYNE-UHFFFAOYSA-N 0 0 393.491 3.567 20 10 GHCDRN Cc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000801133173 920795814 /nfs/dbraw/zinc/79/58/14/920795814.db2.gz LEPCHOJNESVIGL-UHFFFAOYSA-N 0 0 378.451 3.850 20 10 GHCDRN OC1CCN(c2ccc(CNc3nnc(-c4ccccc4)s3)cc2F)CC1 ZINC000298697908 920820881 /nfs/dbraw/zinc/82/08/81/920820881.db2.gz DLFLKMRBFWZQAF-UHFFFAOYSA-N 0 0 384.480 3.917 20 10 GHCDRN COc1ccc(NC(C)=O)cc1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298838973 920978047 /nfs/dbraw/zinc/97/80/47/920978047.db2.gz DWBPESUPEPRWBG-UHFFFAOYSA-N 0 0 396.491 3.916 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000802236547 921941567 /nfs/dbraw/zinc/94/15/67/921941567.db2.gz MDQLNHVDLRMBLS-DENIHFKCSA-N 0 0 396.531 3.700 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1nc2cc(OC)ccc2n1C ZINC000802296893 921994092 /nfs/dbraw/zinc/99/40/92/921994092.db2.gz NTFKQORBCCETTN-UHFFFAOYSA-N 0 0 396.491 3.799 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(F)c(F)c1F ZINC000802609573 922253340 /nfs/dbraw/zinc/25/33/40/922253340.db2.gz GDGQJPWJMOCDPH-UHFFFAOYSA-N 0 0 380.366 3.577 20 10 GHCDRN COc1cc(C)c(Br)cc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000803090240 922686404 /nfs/dbraw/zinc/68/64/04/922686404.db2.gz YEARAEFFERETFY-LLVKDONJSA-N 0 0 394.265 3.538 20 10 GHCDRN C[C@H](NC(=O)[C@@](C)(O)CSc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000803121371 922713692 /nfs/dbraw/zinc/71/36/92/922713692.db2.gz QHEFFLAEGPNEKO-XOBRGWDASA-N 0 0 376.497 3.612 20 10 GHCDRN Cc1cc(C(=O)NCCc2nnc(C)n2C)c(C)n1-c1cccc(C(C)C)c1 ZINC000803173223 922746665 /nfs/dbraw/zinc/74/66/65/922746665.db2.gz CWCLHJIQVWBVAR-UHFFFAOYSA-N 0 0 379.508 3.627 20 10 GHCDRN C[C@H]([NH2+]Cc1cn(C)nc1Br)c1cccc(C(F)(F)F)c1[O-] ZINC000903187364 922842326 /nfs/dbraw/zinc/84/23/26/922842326.db2.gz BIQSRXZURLYOSM-QMMMGPOBSA-N 0 0 378.192 3.758 20 10 GHCDRN C[C@@H](NCc1nc(CN(C)C)cs1)c1ccc(N2CCOCC2)cc1Cl ZINC000903223124 922867829 /nfs/dbraw/zinc/86/78/29/922867829.db2.gz VGYCYJGDLDEKAH-CQSZACIVSA-N 0 0 394.972 3.546 20 10 GHCDRN Cc1c(Cl)cccc1N1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000803420434 922968817 /nfs/dbraw/zinc/96/88/17/922968817.db2.gz HAZHZOYTQPNJQG-VQHVLOKHSA-N 0 0 386.879 3.812 20 10 GHCDRN COc1ccc(/C=C2/SC(=S)N(CCCN(C)c3ccccc3)C2=O)cn1 ZINC000780144163 923469673 /nfs/dbraw/zinc/46/96/73/923469673.db2.gz URAMZWPSNLRXIG-GHRIWEEISA-N 0 0 399.541 3.818 20 10 GHCDRN CCC[C@@H](C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000748343387 923582833 /nfs/dbraw/zinc/58/28/33/923582833.db2.gz GPUJZWGOGNOZKT-OAQYLSRUSA-N 0 0 382.504 3.838 20 10 GHCDRN CC(C)(CNC(=O)NCc1ccccc1O)c1ccc(Br)cc1 ZINC000748459650 923669303 /nfs/dbraw/zinc/66/93/03/923669303.db2.gz HYGOMYIOTLWHQW-UHFFFAOYSA-N 0 0 377.282 3.932 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCC([C@H]4CCOC4)CC3)ccc21 ZINC000369917128 923740550 /nfs/dbraw/zinc/74/05/50/923740550.db2.gz BEXOEFZWROWPMF-FQEVSTJZSA-N 0 0 384.520 3.793 20 10 GHCDRN CCCS(=O)(=O)CCN(Cc1ccc(C)s1)c1ccc2c(c1)OCCO2 ZINC000749176822 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GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCC(n4cncc4C)CC3)ccc21 ZINC000372308571 925325331 /nfs/dbraw/zinc/32/53/31/925325331.db2.gz JTEIGCSURFPQOO-UHFFFAOYSA-N 0 0 394.519 3.887 20 10 GHCDRN COc1ccc(N2CCN(c3nccc4c3cccc4[N+](=O)[O-])CC2)cc1F ZINC000827739684 925942357 /nfs/dbraw/zinc/94/23/57/925942357.db2.gz QGDJZINKSMFLRS-UHFFFAOYSA-N 0 0 382.395 3.617 20 10 GHCDRN COc1cc(Br)cc(CN2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)c1O ZINC000827787668 925979994 /nfs/dbraw/zinc/97/99/94/925979994.db2.gz OFIRMFDLSLNPCM-SKDRFNHKSA-N 0 0 398.219 3.705 20 10 GHCDRN CCN(CC)C(=O)C1CCN(CC(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000133121779 926079708 /nfs/dbraw/zinc/07/97/08/926079708.db2.gz GOXONMLFXDQSHN-UHFFFAOYSA-N 0 0 395.547 3.857 20 10 GHCDRN C[C@@H](NC(=O)CCCCC(=O)N[C@H](C)c1ccccc1O)c1ccccc1O ZINC000827937131 926334855 /nfs/dbraw/zinc/33/48/55/926334855.db2.gz LUALJPIVSPEXTQ-HZPDHXFCSA-N 0 0 384.476 3.713 20 10 GHCDRN CSc1cc2c(cc1NC(=O)NCc1ccc3c(c1)CCCN3C)OCCO2 ZINC000726078631 926549729 /nfs/dbraw/zinc/54/97/29/926549729.db2.gz MPEQJIPUVNKOJD-UHFFFAOYSA-N 0 0 399.516 3.884 20 10 GHCDRN CN1CCCc2cc(CNC(=O)N[C@H]3CCCOc4ccc(F)cc43)ccc21 ZINC000726235549 926601730 /nfs/dbraw/zinc/60/17/30/926601730.db2.gz BVUDGTAZNBNOJO-IBGZPJMESA-N 0 0 383.467 3.921 20 10 GHCDRN O=C(NCc1cccc(Cn2cnc3ccccc32)c1)NCc1ccccc1O ZINC000726250846 926611201 /nfs/dbraw/zinc/61/12/01/926611201.db2.gz IJOZGJSEFPXRIW-UHFFFAOYSA-N 0 0 386.455 3.790 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3cnn(-c4ccccc4)c3C)CC2)cc1 ZINC000726561161 926738148 /nfs/dbraw/zinc/73/81/48/926738148.db2.gz AVSSEVUCXSCFQR-UHFFFAOYSA-N 0 0 390.487 3.588 20 10 GHCDRN CCCN(C)c1ccc(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000726561806 926739439 /nfs/dbraw/zinc/73/94/39/926739439.db2.gz SWQMCMMAFUOKMW-UHFFFAOYSA-N 0 0 381.520 3.940 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3ccc(C(F)(F)F)nc3)CC2)cc1 ZINC000726562325 926739698 /nfs/dbraw/zinc/73/96/98/926739698.db2.gz HUZXSBAQRKSVLX-UHFFFAOYSA-N 0 0 379.382 3.508 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3cc(-c4ccccc4)no3)CC2)cc1 ZINC000726561744 926739706 /nfs/dbraw/zinc/73/97/06/926739706.db2.gz OZYJCGLFYJDIEN-UHFFFAOYSA-N 0 0 377.444 3.749 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)[C@H](C)Oc3ccccc3Cl)CC2)cc1 ZINC000726563345 926740629 /nfs/dbraw/zinc/74/06/29/926740629.db2.gz HKESGBFQJXMZAK-HNNXBMFYSA-N 0 0 388.895 3.901 20 10 GHCDRN O=C(NCCc1ccccc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000726608764 926762823 /nfs/dbraw/zinc/76/28/23/926762823.db2.gz BIOSBVZVSYRDBK-UHFFFAOYSA-N 0 0 389.446 3.799 20 10 GHCDRN NC(=O)c1ccc(N2C(=O)/C(=C/c3cc(Cl)ccc3O)SC2=S)cc1 ZINC000726627324 926771434 /nfs/dbraw/zinc/77/14/34/926771434.db2.gz MVPIUKJYAKPJIY-ZSOIEALJSA-N 0 0 390.873 3.550 20 10 GHCDRN Cc1cc(C(=O)Nc2nc(CC(N)=O)cs2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000726877252 926903453 /nfs/dbraw/zinc/90/34/53/926903453.db2.gz CKZDWQLQGBFLIY-UHFFFAOYSA-N 0 0 396.516 3.954 20 10 GHCDRN Cc1cc(CCNC(=O)NC[C@@H](C)Cn2ccnc2C)c(C)n1-c1ccccc1 ZINC000749195526 926995807 /nfs/dbraw/zinc/99/58/07/926995807.db2.gz FIRJKRIGCPNTJH-QGZVFWFLSA-N 0 0 393.535 3.777 20 10 GHCDRN Cc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000749324058 927053504 /nfs/dbraw/zinc/05/35/04/927053504.db2.gz XXTSAUFIEFFNBX-UHFFFAOYSA-N 0 0 397.500 3.611 20 10 GHCDRN Cc1cc(C(=O)N[C@@](C)(C(N)=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 ZINC000749382463 927082698 /nfs/dbraw/zinc/08/26/98/927082698.db2.gz BLTMSUARRJFEGZ-JOCHJYFZSA-N 0 0 395.890 3.878 20 10 GHCDRN Cc1cc(C(=O)CSc2cn[nH]n2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000749679314 927231916 /nfs/dbraw/zinc/23/19/16/927231916.db2.gz RDYHVWQMYZDBKF-UHFFFAOYSA-N 0 0 378.404 3.789 20 10 GHCDRN C[C@@H](CCC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1 ZINC000749776821 927266476 /nfs/dbraw/zinc/26/64/76/927266476.db2.gz JOGHMXSXCMJIOM-RXVVDRJESA-N 0 0 393.531 3.588 20 10 GHCDRN CCN(Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1)c1ccc(OC)cc1 ZINC000750041960 927402888 /nfs/dbraw/zinc/40/28/88/927402888.db2.gz RGIPEOKHBVKMLP-UHFFFAOYSA-N 0 0 384.505 3.556 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(F)c(F)c3F)cc2F)C[C@@H](C)O1 ZINC000750609878 927749423 /nfs/dbraw/zinc/74/94/23/927749423.db2.gz TUYNRFNYOYYGLY-VXGBXAGGSA-N 0 0 396.384 3.787 20 10 GHCDRN CCN(Cc1nnc(C(=O)Nc2ccccc2)s1)c1ccc(OC)c(OC)c1 ZINC000780301507 927809954 /nfs/dbraw/zinc/80/99/54/927809954.db2.gz JDHOYGRHRBJCBF-UHFFFAOYSA-N 0 0 398.488 3.834 20 10 GHCDRN CC(=O)c1cc(F)cc(CN2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)c1O ZINC000750827102 927878700 /nfs/dbraw/zinc/87/87/00/927878700.db2.gz ILZXVYRSONYTJT-INIZCTEOSA-N 0 0 380.460 3.565 20 10 GHCDRN Cc1noc(C)c1[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000750874014 927910217 /nfs/dbraw/zinc/91/02/17/927910217.db2.gz DFQGVCFUQKXOGI-QRWLVFNGSA-N 0 0 385.508 3.669 20 10 GHCDRN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000751306981 928121920 /nfs/dbraw/zinc/12/19/20/928121920.db2.gz SHTLQMBUKVEULO-TZIWHRDSSA-N 0 0 399.579 3.920 20 10 GHCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccc(Br)cn1 ZINC000751306336 928123113 /nfs/dbraw/zinc/12/31/13/928123113.db2.gz SXDMZAYOYYYFNE-UHFFFAOYSA-N 0 0 394.232 3.806 20 10 GHCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000751319444 928131754 /nfs/dbraw/zinc/13/17/54/928131754.db2.gz WNFCUYIIJFGNEH-VIFPVBQESA-N 0 0 393.358 3.598 20 10 GHCDRN O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(Br)c(Cl)c1 ZINC000751538937 928238747 /nfs/dbraw/zinc/23/87/47/928238747.db2.gz SRWQBJBVAJFFTB-UHFFFAOYSA-N 0 0 390.642 3.632 20 10 GHCDRN Cc1ccncc1/C=C/C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000751759466 928367190 /nfs/dbraw/zinc/36/71/90/928367190.db2.gz WVVUPGYDDJOOCU-YVWYTEFXSA-N 0 0 379.504 3.677 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000543852873 928499843 /nfs/dbraw/zinc/49/98/43/928499843.db2.gz MJDYCUYFXDUSAO-UHFFFAOYSA-N 0 0 396.491 3.712 20 10 GHCDRN CCOC(=O)c1sc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1C ZINC000543880418 928529164 /nfs/dbraw/zinc/52/91/64/928529164.db2.gz OQNCLRCLARCZAC-UHFFFAOYSA-N 0 0 389.477 3.730 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)c2cn(C(C)(C)C)nc2Br)cc1 ZINC000780321560 928557216 /nfs/dbraw/zinc/55/72/16/928557216.db2.gz HWDOZSUGOCXOLM-UHFFFAOYSA-N 0 0 393.329 3.739 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000752371592 928800546 /nfs/dbraw/zinc/80/05/46/928800546.db2.gz XQLRJAWNHXYDAL-UHFFFAOYSA-N 0 0 389.565 3.586 20 10 GHCDRN CC[C@@H](CNC(=O)N[C@H](C)c1cc(OC)ccc1O)Oc1cccc(F)c1 ZINC000753349484 929313104 /nfs/dbraw/zinc/31/31/04/929313104.db2.gz ZIYLNOPLIYKPKD-HIFRSBDPSA-N 0 0 376.428 3.758 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001276283013 929318278 /nfs/dbraw/zinc/31/82/78/929318278.db2.gz BZVXNNJDFSOEDA-LPHOPBHVSA-N 0 0 389.540 3.508 20 10 GHCDRN NC(=O)[C@H]1c2ccccc2CCN1Cc1ccc(OCc2ccccc2)cc1O ZINC000753530338 929391668 /nfs/dbraw/zinc/39/16/68/929391668.db2.gz LQGCBENXBLADLX-HSZRJFAPSA-N 0 0 388.467 3.556 20 10 GHCDRN COC(=O)COc1ccc(N(C)Cc2ccc(OC)c(OC)c2Cl)cc1 ZINC000753592418 929433940 /nfs/dbraw/zinc/43/39/40/929433940.db2.gz YAHHTWAYOVROPT-UHFFFAOYSA-N 0 0 379.840 3.545 20 10 GHCDRN CCn1c(CN2CCN(c3ccc(OC)c(F)c3)CC2)nc2cc(F)ccc21 ZINC000753857086 929565600 /nfs/dbraw/zinc/56/56/00/929565600.db2.gz JMXQFNFCYJVBBD-UHFFFAOYSA-N 0 0 386.446 3.665 20 10 GHCDRN COc1ccc(N2CCN(Cc3cc(-c4ccc(F)cc4)no3)CC2)cc1F ZINC000753857004 929565728 /nfs/dbraw/zinc/56/57/28/929565728.db2.gz HKQNIUPCQXPGJV-UHFFFAOYSA-N 0 0 385.414 3.951 20 10 GHCDRN COc1ccc(N2CCN(C(=O)NCc3coc4ccccc34)CC2)cc1F ZINC000753919201 929592017 /nfs/dbraw/zinc/59/20/17/929592017.db2.gz JDFRVBHQNOWFFG-UHFFFAOYSA-N 0 0 383.423 3.612 20 10 GHCDRN C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000757656081 929760974 /nfs/dbraw/zinc/76/09/74/929760974.db2.gz MLBJHMOBAXMFKN-CIUDSAMLSA-N 0 0 381.108 3.727 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)Nc2cnn(-c3ccccc3)n2)C2CC2)cc1 ZINC000757827132 929816716 /nfs/dbraw/zinc/81/67/16/929816716.db2.gz QCTNGWBZZZTDIR-UHFFFAOYSA-N 0 0 376.464 3.530 20 10 GHCDRN Cc1cc(C(=O)N2CCC(OCCO)CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000757981999 929879337 /nfs/dbraw/zinc/87/93/37/929879337.db2.gz DPZSLZPWBPCAKA-UHFFFAOYSA-N 0 0 384.520 3.831 20 10 GHCDRN CCN(CC)c1ccc(CNCc2c(Cl)cccc2S(C)(=O)=O)cc1 ZINC000758298600 930005000 /nfs/dbraw/zinc/00/50/00/930005000.db2.gz HNZHJAOIIQWYJB-UHFFFAOYSA-N 0 0 380.941 3.880 20 10 GHCDRN O=C(Nc1ccc(-c2nc(Cc3cc(F)cc(F)c3)no2)cc1)C1=S=CC=C1 ZINC000546269042 930007031 /nfs/dbraw/zinc/00/70/31/930007031.db2.gz GXQFXJPGZFALGO-UHFFFAOYSA-N 0 0 397.406 3.822 20 10 GHCDRN O=C1NCCN(Cc2cc3c(cc2O)CCC3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000758376782 930026374 /nfs/dbraw/zinc/02/63/74/930026374.db2.gz PKVTYCDXQNWUHS-LJQANCHMSA-N 0 0 390.405 3.573 20 10 GHCDRN Cc1cc(C)c(O)c(CN2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000758376985 930026766 /nfs/dbraw/zinc/02/67/66/930026766.db2.gz RBLRGEYSOJKMPN-KRWDZBQOSA-N 0 0 378.394 3.701 20 10 GHCDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000758397521 930032420 /nfs/dbraw/zinc/03/24/20/930032420.db2.gz QQVPJDUASKKPPY-UHFFFAOYSA-N 0 0 375.450 3.613 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000758407538 930035978 /nfs/dbraw/zinc/03/59/78/930035978.db2.gz IPJCOOONSUNDOY-HSZRJFAPSA-N 0 0 394.515 3.840 20 10 GHCDRN CCOC(=O)c1cc(N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000758410509 930037581 /nfs/dbraw/zinc/03/75/81/930037581.db2.gz MSAZWCNYLGDGMA-OAHLLOKOSA-N 0 0 399.447 3.781 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000758497392 930061835 /nfs/dbraw/zinc/06/18/35/930061835.db2.gz ZQNKZHJNDXFUDM-QFIPXVFZSA-N 0 0 381.520 3.604 20 10 GHCDRN C[C@H](OC(=O)c1cccc(O)c1O)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000758572280 930087340 /nfs/dbraw/zinc/08/73/40/930087340.db2.gz IPMBOHWJIKXTPF-LBPRGKRZSA-N 0 0 385.416 3.511 20 10 GHCDRN O=C(OCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1cccc(O)c1O ZINC000758579566 930091346 /nfs/dbraw/zinc/09/13/46/930091346.db2.gz HFOAXWXSEJFCRM-UHFFFAOYSA-N 0 0 381.171 3.812 20 10 GHCDRN COC(=O)c1ccc(NC(=O)NCCCSc2nccs2)cc1Cl ZINC000758612228 930102982 /nfs/dbraw/zinc/10/29/82/930102982.db2.gz XGAAQXCMZZVHJQ-UHFFFAOYSA-N 0 0 385.898 3.887 20 10 GHCDRN Cc1c(NC(=O)NCCCSc2nccs2)cccc1N1CCOC1=O ZINC000758617292 930104218 /nfs/dbraw/zinc/10/42/18/930104218.db2.gz FBXXXPAWXNYPOW-UHFFFAOYSA-N 0 0 392.506 3.712 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)C[C@@H](O)c2ccccc2)cc1F ZINC000758755368 930159629 /nfs/dbraw/zinc/15/96/29/930159629.db2.gz QALWCUGJNGCBFQ-HRAATJIYSA-N 0 0 387.499 3.983 20 10 GHCDRN CCc1nnc(C)cc1C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000758893400 930203914 /nfs/dbraw/zinc/20/39/14/930203914.db2.gz VOYNVQZEYPLZCX-UHFFFAOYSA-N 0 0 378.476 3.849 20 10 GHCDRN O=C(NCCCSc1nccs1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000759091500 930269532 /nfs/dbraw/zinc/26/95/32/930269532.db2.gz UHJZLHKQHLKKJG-KRWDZBQOSA-N 0 0 392.546 3.678 20 10 GHCDRN Cc1sc2[nH]c([C@@H](C)OC(=O)C=Cc3ccc(O)c(O)c3)nc(=O)c2c1C ZINC000759588307 930414543 /nfs/dbraw/zinc/41/45/43/930414543.db2.gz KJMJVGGGJNGYEB-ONRRBMGISA-N 0 0 386.429 3.743 20 10 GHCDRN C[C@H](NC(=O)NCCCSc1nccs1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000759586537 930414867 /nfs/dbraw/zinc/41/48/67/930414867.db2.gz QGPNDGHFPUSZDA-HEHGZKQESA-N 0 0 377.535 3.878 20 10 GHCDRN Cc1cccc(N2CCN(C(=O)NCCCSc3nccs3)CC2)c1C ZINC000759590073 930415347 /nfs/dbraw/zinc/41/53/47/930415347.db2.gz LDCPZQPLUDQUTI-UHFFFAOYSA-N 0 0 390.578 3.774 20 10 GHCDRN Cc1cccc(NC(=O)[C@H](OC(=O)/C=C\c2ccc(O)c(O)c2)C(C)C)c1C ZINC000759591586 930416931 /nfs/dbraw/zinc/41/69/31/930416931.db2.gz CIMJURASDUTPPB-FYJQUHEMSA-N 0 0 383.444 3.934 20 10 GHCDRN C[C@H]1CCN(C(=O)COC(=O)/C=C\c2ccc(O)c(O)c2)c2ccccc2S1 ZINC000759593107 930416966 /nfs/dbraw/zinc/41/69/66/930416966.db2.gz IWOAKWSMQOHIPT-LEJCZOIISA-N 0 0 399.468 3.572 20 10 GHCDRN CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)C=Cc2ccc(O)c(O)c2)C(C)C)c1 ZINC000759594031 930417679 /nfs/dbraw/zinc/41/76/79/930417679.db2.gz DQUDXNPHXXNNAE-DJGBTNNQSA-N 0 0 397.427 3.520 20 10 GHCDRN Cc1ccc(NC(=O)[C@@H](C)OC(=O)/C=C\c2ccc(O)c(O)c2)c(Cl)c1 ZINC000759595000 930418336 /nfs/dbraw/zinc/41/83/36/930418336.db2.gz PDIWTLGBPSDPCV-VVEJJEBESA-N 0 0 375.808 3.643 20 10 GHCDRN C[C@@H](O)C[C@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccccc1 ZINC000759614546 930426572 /nfs/dbraw/zinc/42/65/72/930426572.db2.gz XNSIEPMSLFPCBP-WIYYLYMNSA-N 0 0 395.547 3.981 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)Nc1ccc([N+](=O)[O-])cc1F ZINC000796640467 930490720 /nfs/dbraw/zinc/49/07/20/930490720.db2.gz OALLJPOGTLBFGJ-UHFFFAOYSA-N 0 0 384.161 3.524 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cn(C(C)(C)C)nc2Br)c1 ZINC000780475448 930529293 /nfs/dbraw/zinc/52/92/93/930529293.db2.gz HYXLMMJPMMARDN-JTQLQIEISA-N 0 0 396.285 3.606 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000780563797 930547926 /nfs/dbraw/zinc/54/79/26/930547926.db2.gz YQWGWRGMRKLOJE-AWEZNQCLSA-N 0 0 399.875 3.833 20 10 GHCDRN COc1ccc(N2CCCN(S(=O)(=O)c3cccc(C(F)F)c3)CC2)cc1 ZINC000780714203 930583052 /nfs/dbraw/zinc/58/30/52/930583052.db2.gz WPKHXSXPPNYXTH-UHFFFAOYSA-N 0 0 396.459 3.534 20 10 GHCDRN C[C@@H](NS(=O)(=O)c1cccc(C(F)F)c1)c1ccc(N2CCOCC2)cc1 ZINC000780733142 930587950 /nfs/dbraw/zinc/58/79/50/930587950.db2.gz ZWOZRUKFBPPSMO-CQSZACIVSA-N 0 0 396.459 3.500 20 10 GHCDRN O=C(Nc1ccc(-c2nc(Cc3c(F)cccc3F)no2)cc1)C1=S=CC=C1 ZINC000547019885 930619432 /nfs/dbraw/zinc/61/94/32/930619432.db2.gz KCCQUYKHUNDNNT-UHFFFAOYSA-N 0 0 397.406 3.822 20 10 GHCDRN Cc1ccc(C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)c(O)c1O ZINC000780891372 930629942 /nfs/dbraw/zinc/62/99/42/930629942.db2.gz SDLLNKJEZXRQPG-UHFFFAOYSA-N 0 0 376.412 3.589 20 10 GHCDRN O=C(C[C@H](O)c1ccc(OCc2ccccc2)cc1)NCc1ccccc1O ZINC000780984431 930661847 /nfs/dbraw/zinc/66/18/47/930661847.db2.gz LLFBZKZPQWUOFL-QFIPXVFZSA-N 0 0 377.440 3.711 20 10 GHCDRN CCOc1cc(/C=C/C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1O ZINC000780993807 930664968 /nfs/dbraw/zinc/66/49/68/930664968.db2.gz QRUQLQXJUXZLLF-RDELFYGPSA-N 0 0 397.471 3.718 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)c1 ZINC000781631123 930915569 /nfs/dbraw/zinc/91/55/69/930915569.db2.gz HTPWDLFGMQIZJY-KRWDZBQOSA-N 0 0 386.236 3.739 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Cc2ccc(Br)cc2O)cc1 ZINC000781904216 931020074 /nfs/dbraw/zinc/02/00/74/931020074.db2.gz AGGQROPGVGGGEJ-UHFFFAOYSA-N 0 0 391.309 3.860 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)c1cc(F)ccc1C ZINC000782011883 931059849 /nfs/dbraw/zinc/05/98/49/931059849.db2.gz IUXGPNFCKTXMMV-UHFFFAOYSA-N 0 0 394.240 3.834 20 10 GHCDRN O=C(c1ccc(OC2CCCC2)nc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000782018405 931062387 /nfs/dbraw/zinc/06/23/87/931062387.db2.gz JPVHDSYKMSURPO-HXUWFJFHSA-N 0 0 396.487 3.930 20 10 GHCDRN COCC[C@@H](C)OC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000782676537 931299492 /nfs/dbraw/zinc/29/94/92/931299492.db2.gz IYPJKOFGEBWSEW-POKNLVKOSA-N 0 0 399.559 3.698 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC[C@@H](c2ncccn2)C1 ZINC000924328229 931326860 /nfs/dbraw/zinc/32/68/60/931326860.db2.gz LQZKBUFCQQSQOJ-GOSISDBHSA-N 0 0 388.471 3.716 20 10 GHCDRN CCc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1F ZINC000783316910 931518604 /nfs/dbraw/zinc/51/86/04/931518604.db2.gz QNQIKZVJLBPGMM-UHFFFAOYSA-N 0 0 385.483 3.830 20 10 GHCDRN CC(C)(C(=O)OCC(=O)c1ccc(O)c(O)c1)c1cccc(Br)c1 ZINC000783375217 931529313 /nfs/dbraw/zinc/52/93/13/931529313.db2.gz PHYDHNKJDQOQSU-UHFFFAOYSA-N 0 0 393.233 3.564 20 10 GHCDRN COCCOC(=O)CSCC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000783529643 931573172 /nfs/dbraw/zinc/57/31/72/931573172.db2.gz OMPDHVGGWPAPHH-UHFFFAOYSA-N 0 0 375.490 3.508 20 10 GHCDRN CN(C)c1ccc(CNc2ncn(Cc3ccc(Br)cc3)n2)cc1 ZINC000783639013 931603694 /nfs/dbraw/zinc/60/36/94/931603694.db2.gz XQPBCHWHEFBFFW-UHFFFAOYSA-N 0 0 386.297 3.767 20 10 GHCDRN COc1cc(CN2CCNC(=O)[C@H]2c2ccccc2F)c(O)c(C(C)(C)C)c1 ZINC000784034413 931762696 /nfs/dbraw/zinc/76/26/96/931762696.db2.gz TZJGGTUHZMAXSU-LJQANCHMSA-N 0 0 386.467 3.511 20 10 GHCDRN CCc1cccc2c1N(C(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1)CC2 ZINC000784107383 931786391 /nfs/dbraw/zinc/78/63/91/931786391.db2.gz FAKVFRZZAOVVER-UHFFFAOYSA-N 0 0 391.515 3.944 20 10 GHCDRN C[C@@H](C1CC1)n1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cn1 ZINC000784112888 931787700 /nfs/dbraw/zinc/78/77/00/931787700.db2.gz PJCFTWPRZLMZHR-HNNXBMFYSA-N 0 0 395.507 3.598 20 10 GHCDRN Cc1cccc([C@H]2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)C2)c1 ZINC000784220586 931821017 /nfs/dbraw/zinc/82/10/17/931821017.db2.gz HZBAQNXPWWBNBW-FQEVSTJZSA-N 0 0 397.494 3.670 20 10 GHCDRN CS[C@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)C(C)(C)C ZINC000784220635 931821289 /nfs/dbraw/zinc/82/12/89/931821289.db2.gz IGHQAMQQDQVLQD-QGZVFWFLSA-N 0 0 381.611 3.817 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNc3nnc(-c4ccon4)s3)cc2F)C[C@H](C)O1 ZINC000784571858 931943550 /nfs/dbraw/zinc/94/35/50/931943550.db2.gz NVRBJZLMXJOQNX-TXEJJXNPSA-N 0 0 389.456 3.558 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000187332393 932111239 /nfs/dbraw/zinc/11/12/39/932111239.db2.gz MCFFDSWGGGTYNU-UHFFFAOYSA-N 0 0 389.446 3.852 20 10 GHCDRN C[C@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000797115933 932189334 /nfs/dbraw/zinc/18/93/34/932189334.db2.gz WWEFXNHYHWQRCX-CABZTGNLSA-N 0 0 387.229 3.613 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3C[C@H]3c3ccccc3)cc2F)C[C@@H](C)O1 ZINC000797432634 932282268 /nfs/dbraw/zinc/28/22/68/932282268.db2.gz LMUKRUIUTWKCJG-DCTVWTRXSA-N 0 0 397.494 3.795 20 10 GHCDRN C[C@@H](NC(=O)N1CC[C@H](C(=O)N(C)c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000797519863 932318403 /nfs/dbraw/zinc/31/84/03/932318403.db2.gz RCFXZIOCSWPYDN-MJGOQNOKSA-N 0 0 394.519 3.508 20 10 GHCDRN COc1ccc(CNC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c(O)c1 ZINC000797619428 932347024 /nfs/dbraw/zinc/34/70/24/932347024.db2.gz ZRXUHBIVPLTIGJ-UHFFFAOYSA-N 0 0 397.475 3.785 20 10 GHCDRN COc1ccc(CNC(=O)Nc2ccnc(Sc3ccccn3)c2)c(O)c1 ZINC000797623241 932347698 /nfs/dbraw/zinc/34/76/98/932347698.db2.gz OECWPFIDFFUYGO-UHFFFAOYSA-N 0 0 382.445 3.664 20 10 GHCDRN COc1ccc(CNC(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)c(O)c1 ZINC000797633445 932351325 /nfs/dbraw/zinc/35/13/25/932351325.db2.gz ZSMQQILXVOTMSN-UHFFFAOYSA-N 0 0 394.431 3.958 20 10 GHCDRN CCCc1c(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cnn1-c1ccccc1 ZINC000797644087 932353609 /nfs/dbraw/zinc/35/36/09/932353609.db2.gz UWKLUCBHDMNYTR-OAHLLOKOSA-N 0 0 394.475 3.989 20 10 GHCDRN CCOc1ccc(NC(=O)NCc2ccc(OC)cc2O)cc1Br ZINC000797648749 932355589 /nfs/dbraw/zinc/35/55/89/932355589.db2.gz FNLPQCFXSNVATO-UHFFFAOYSA-N 0 0 395.253 3.884 20 10 GHCDRN Cc1ccc(N2CCOCC2)cc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000797690568 932370479 /nfs/dbraw/zinc/37/04/79/932370479.db2.gz HQPNGJHEERBOOI-KRWDZBQOSA-N 0 0 382.508 3.780 20 10 GHCDRN Cc1cc(CC(=O)NC2(c3nc[nH]n3)CCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000797758602 932398544 /nfs/dbraw/zinc/39/85/44/932398544.db2.gz RYCYLRNFBDYXBC-UHFFFAOYSA-N 0 0 383.883 3.604 20 10 GHCDRN COc1ccc(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)c(O)c1 ZINC000798085328 932523024 /nfs/dbraw/zinc/52/30/24/932523024.db2.gz OYNLIXZLIABUDX-JKSUJKDBSA-N 0 0 391.265 3.519 20 10 GHCDRN 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REBGDZKRPSWLOP-LBPRGKRZSA-N 0 0 382.412 3.667 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)NCC3(C4(O)CCC4)CCC3)cc2)CC1 ZINC001221837167 1032548752 /nfs/dbraw/zinc/54/87/52/1032548752.db2.gz FHJUGIJKMOGJPA-UHFFFAOYSA-N 0 0 385.552 3.807 20 10 GHCDRN Cc1cc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)c(C)n1-c1ccccc1C ZINC001155507535 1032565912 /nfs/dbraw/zinc/56/59/12/1032565912.db2.gz HDNAWMZDCWJQNN-FQEVSTJZSA-N 0 0 380.463 3.875 20 10 GHCDRN COc1ccc(CNC(=O)c2cc(CCc3ccccc3)ccc2O)c(O)c1 ZINC001155574604 1032585093 /nfs/dbraw/zinc/58/50/93/1032585093.db2.gz NCKBHARARXRUDT-UHFFFAOYSA-N 0 0 377.440 3.822 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)c3cc(F)c[nH]c3=O)cc2Cl)C1 ZINC001155728010 1032666742 /nfs/dbraw/zinc/66/67/42/1032666742.db2.gz XREKYAVAASHMPL-GFCCVEGCSA-N 0 0 377.847 3.746 20 10 GHCDRN O=C(c1ccccc1)c1ccc(O)c(O)c1OC[C@@H]1CC[C@]2(CCCCO2)O1 ZINC001227941571 1032706282 /nfs/dbraw/zinc/70/62/82/1032706282.db2.gz WLHQJQAHFAWAQC-AOMKIAJQSA-N 0 0 384.428 3.783 20 10 GHCDRN COCCOc1ccc(N2CCN(Cc3ccc(F)c(Cl)c3)CC2)cc1 ZINC001204285258 1032728337 /nfs/dbraw/zinc/72/83/37/1032728337.db2.gz SLFKYRQWAKLYCJ-UHFFFAOYSA-N 0 0 378.875 3.827 20 10 GHCDRN Cc1cc(N2CCCc3cc(O)c(O)cc3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001155948871 1032809204 /nfs/dbraw/zinc/80/92/04/1032809204.db2.gz XUPJXTFUNNYIDQ-UHFFFAOYSA-N 0 0 382.851 3.864 20 10 GHCDRN CC1CCN(c2cccc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)c2)CC1 ZINC000778684809 1019471134 /nfs/dbraw/zinc/47/11/34/1019471134.db2.gz ZSGUUEKSAIXGEY-UHFFFAOYSA-N 0 0 383.404 3.812 20 10 GHCDRN O=C(Nc1ccc2c(c1)OCCO2)N(Cc1ccco1)Cc1ccccc1O ZINC000047319273 1019990231 /nfs/dbraw/zinc/99/02/31/1019990231.db2.gz LOCDTQNZZWZWOP-UHFFFAOYSA-N 0 0 380.400 3.991 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000194500789 1020967139 /nfs/dbraw/zinc/96/71/39/1020967139.db2.gz IBEFYBXAHAJWGM-INIZCTEOSA-N 0 0 394.519 3.978 20 10 GHCDRN Cc1cc(Br)c(O)c(CNc2nnc(C3CCOCC3)s2)c1 ZINC000834474917 1021212358 /nfs/dbraw/zinc/21/23/58/1021212358.db2.gz HZDPSKKZTSUSMV-UHFFFAOYSA-N 0 0 384.299 3.821 20 10 GHCDRN Cc1cc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)c(C)n1-c1cccc(C)c1 ZINC000802247898 1021484417 /nfs/dbraw/zinc/48/44/17/1021484417.db2.gz ZFTVDHCMBQPNJL-UGKGYDQZSA-N 0 0 396.531 3.700 20 10 GHCDRN COc1ccc(NS(C)(=O)=O)cc1N[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834888966 1021627701 /nfs/dbraw/zinc/62/77/01/1021627701.db2.gz RKMPVAWRIVEQTB-HZMBPMFUSA-N 0 0 380.441 3.572 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1)c1cc(Br)c(F)cc1[O-] ZINC000834896670 1021640876 /nfs/dbraw/zinc/64/08/76/1021640876.db2.gz MLRYDPKKLMXHOC-PSVSLLHZSA-N 0 0 398.276 3.598 20 10 GHCDRN CC[C@@H](Nc1ccc(O[C@H]2CC(=O)N2)cc1)c1cc(Br)ccc1O ZINC000834900284 1021648496 /nfs/dbraw/zinc/64/84/96/1021648496.db2.gz XFZHZVIHWVLSRS-QAPCUYQASA-N 0 0 391.265 3.943 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1cc(Br)cc(Br)c1[O-] ZINC000834906303 1021662649 /nfs/dbraw/zinc/66/26/49/1021662649.db2.gz OOZWRESEQDDBMY-AMIZOPFISA-N 0 0 393.119 3.729 20 10 GHCDRN C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cc(Br)cc(Br)c1[O-] ZINC000834907157 1021666671 /nfs/dbraw/zinc/66/66/71/1021666671.db2.gz XIAWFKBZZMZFPC-MWODSPESSA-N 0 0 393.119 3.729 20 10 GHCDRN Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000834909598 1021667481 /nfs/dbraw/zinc/66/74/81/1021667481.db2.gz AXBDUFQTJWEZIZ-ONGXEEELSA-N 0 0 396.260 3.675 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccc(Cl)cc2O)CC1(F)F ZINC001140465892 1021760286 /nfs/dbraw/zinc/76/02/86/1021760286.db2.gz UGYDBMMYXPBZSD-AWEZNQCLSA-N 0 0 376.831 3.780 20 10 GHCDRN CN(C)c1ccc(/C=C/CNc2ccc(F)c(N3CCCS3(=O)=O)c2)cc1 ZINC000835033631 1021789513 /nfs/dbraw/zinc/78/95/13/1021789513.db2.gz WEIGXQRDBYLGLX-HWKANZROSA-N 0 0 389.496 3.557 20 10 GHCDRN CC(=O)N1CCN(Cc2cccc(NC/C=C/c3ccc(N(C)C)cc3)c2)CC1 ZINC000835045125 1021808602 /nfs/dbraw/zinc/80/86/02/1021808602.db2.gz JGNOMZQKDMRBKN-FNORWQNLSA-N 0 0 392.547 3.542 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCc2ccccc2O1 ZINC001137349233 1021922131 /nfs/dbraw/zinc/92/21/31/1021922131.db2.gz LBOLSCZDFWHZKF-SFHVURJKSA-N 0 0 390.277 3.897 20 10 GHCDRN Cc1ccc(O)c(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)c1 ZINC001140623803 1022098191 /nfs/dbraw/zinc/09/81/91/1022098191.db2.gz SGOKHQDYECPLHE-GJZGRUSLSA-N 0 0 388.430 3.978 20 10 GHCDRN COc1ccc(N2CCN(Cc3ccc(OC(F)F)c(O)c3)CC2)c(C)c1 ZINC001140631142 1022114142 /nfs/dbraw/zinc/11/41/42/1022114142.db2.gz SIKGXVDTZIAGCQ-UHFFFAOYSA-N 0 0 378.419 3.633 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCN(c3cccs3)CC2)c1 ZINC001137421295 1022217255 /nfs/dbraw/zinc/21/72/55/1022217255.db2.gz PJOCNQUHQBSIMI-UHFFFAOYSA-N 0 0 393.512 3.931 20 10 GHCDRN CC[C@H]1[C@H](CO)CCN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000835553526 1022242216 /nfs/dbraw/zinc/24/22/16/1022242216.db2.gz XATHFDOTWXFAKM-KXBFYZLASA-N 0 0 380.448 3.660 20 10 GHCDRN Nc1ccc(Cc2nc(C(=O)NCc3ccccc3N3CCCC3)cs2)cc1 ZINC000827513702 1022264297 /nfs/dbraw/zinc/26/42/97/1022264297.db2.gz NHVVTBJGNZNCLY-UHFFFAOYSA-N 0 0 392.528 3.846 20 10 GHCDRN COc1ccc(N2CCN(Cn3[nH]c(-c4ccccc4)nc3=S)CC2)cc1F ZINC000754013084 1022423796 /nfs/dbraw/zinc/42/37/96/1022423796.db2.gz LKGFNVCNPCBTHH-UHFFFAOYSA-N 0 0 399.495 3.535 20 10 GHCDRN CCc1cc(CN2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)c(O)c(C(C)(C)C)c1 ZINC000754017751 1022427510 /nfs/dbraw/zinc/42/75/10/1022427510.db2.gz UAEPMNKCGBBRLZ-RBUKOAKNSA-N 0 0 379.566 3.794 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC(c2ccccn2)CC1 ZINC000754099278 1022481338 /nfs/dbraw/zinc/48/13/38/1022481338.db2.gz JIZPNSSPEWEGOS-UHFFFAOYSA-N 0 0 396.560 3.724 20 10 GHCDRN C[C@@H](O)CN(CC(F)F)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000835940489 1022491743 /nfs/dbraw/zinc/49/17/43/1022491743.db2.gz SGOQWWMDGAIYLD-CYBMUJFWSA-N 0 0 390.390 3.515 20 10 GHCDRN COC1CCC(CCNC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000754160117 1022513163 /nfs/dbraw/zinc/51/31/63/1022513163.db2.gz QWGGNVOOYGFWCD-UHFFFAOYSA-N 0 0 391.581 3.634 20 10 GHCDRN CCC(CC)NC(=O)[C@H]1CN(C(=O)/C=C/c2ccc(C)nc2)c2ccccc2O1 ZINC000754204699 1022535340 /nfs/dbraw/zinc/53/53/40/1022535340.db2.gz WQKANEIHPKTIBS-JNCYCUAHSA-N 0 0 393.487 3.502 20 10 GHCDRN Cc1ccc(/C=C\C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cn1 ZINC000754245423 1022557324 /nfs/dbraw/zinc/55/73/24/1022557324.db2.gz FZZGDJWPRKKLNR-WTKPLQERSA-N 0 0 387.430 3.790 20 10 GHCDRN CCN(CC)c1ccc(C[N@@H+]2CCc3c(CN(C)C)nn(C(C)C)c3C2)c(O)c1 ZINC001140853002 1022702862 /nfs/dbraw/zinc/70/28/62/1022702862.db2.gz ISKKOHQTYHZYFL-UHFFFAOYSA-N 0 0 399.583 3.636 20 10 GHCDRN Cc1cc(C(=O)N2CC(=O)N(CC(F)(F)F)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000754472812 1022725032 /nfs/dbraw/zinc/72/50/32/1022725032.db2.gz RFVNXKHUEPSQKK-UHFFFAOYSA-N 0 0 399.800 3.552 20 10 GHCDRN O=C(NCC[C@@H]1CCc2ccccc21)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000836240940 1022758345 /nfs/dbraw/zinc/75/83/45/1022758345.db2.gz KVYFLMRHDHHQJR-IBGZPJMESA-N 0 0 397.494 3.582 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)NC[C@H]3CCCC3(F)F)cc2F)C[C@H](C)O1 ZINC000836242957 1022760401 /nfs/dbraw/zinc/76/04/01/1022760401.db2.gz ZBLMJOKCBZPOOO-IJEWVQPXSA-N 0 0 399.457 3.674 20 10 GHCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccnc1N1CCCC1 ZINC000754543247 1022761106 /nfs/dbraw/zinc/76/11/06/1022761106.db2.gz UKRADOANPBEECX-UHFFFAOYSA-N 0 0 397.434 3.710 20 10 GHCDRN CC(=O)c1ccc(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 ZINC000754548376 1022764076 /nfs/dbraw/zinc/76/40/76/1022764076.db2.gz NKLIIYWMFAROGG-UHFFFAOYSA-N 0 0 383.403 3.846 20 10 GHCDRN Cc1cc(C(=O)CN(C)Cc2nnc3n2CCC3)c(C)n1-c1ccc(C)c(C)c1 ZINC000754666300 1022820257 /nfs/dbraw/zinc/82/02/57/1022820257.db2.gz NBQHZNIHWSIRJK-UHFFFAOYSA-N 0 0 391.519 3.563 20 10 GHCDRN C[C@H](S[C@@H]1CCO[C@H]1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000754719041 1022856681 /nfs/dbraw/zinc/85/66/81/1022856681.db2.gz IMHNJBCFSJZKLR-ZJNRKIDTSA-N 0 0 395.480 3.700 20 10 GHCDRN Cc1cc(C(=O)CS[C@H]2CCO[C@H]2C)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000754727061 1022862505 /nfs/dbraw/zinc/86/25/05/1022862505.db2.gz HVCLKNVXZJBYIK-BTYIYWSLSA-N 0 0 387.501 3.959 20 10 GHCDRN O=C(c1ccccc1)c1ccc(O)c(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1[O-] ZINC000754783595 1022892714 /nfs/dbraw/zinc/89/27/14/1022892714.db2.gz MSPCPVAXUVQJCG-SFHVURJKSA-N 0 0 381.472 3.577 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cncc(Cl)c1 ZINC000754789456 1022898003 /nfs/dbraw/zinc/89/80/03/1022898003.db2.gz KFUATJUSMZSIKG-UHFFFAOYSA-N 0 0 379.913 3.546 20 10 GHCDRN COC(=O)[C@H]1[C@H](c2ccccc2)OCCN1Cc1ccc(N(C)C)cc1Cl ZINC001140927170 1022903727 /nfs/dbraw/zinc/90/37/27/1022903727.db2.gz IBJHQMBUKJPPAH-UXHICEINSA-N 0 0 388.895 3.521 20 10 GHCDRN COC(=O)[C@@H]1[C@@H](c2ccccc2)OCCN1Cc1ccc(N(C)C)cc1Cl ZINC001140927171 1022903947 /nfs/dbraw/zinc/90/39/47/1022903947.db2.gz IBJHQMBUKJPPAH-VQTJNVASSA-N 0 0 388.895 3.521 20 10 GHCDRN CO[C@@H]1CC[C@H]2OCCN(CC(=O)c3cc(C)n(-c4cccc(C)c4)c3C)[C@@H]2C1 ZINC000755052665 1023046650 /nfs/dbraw/zinc/04/66/50/1023046650.db2.gz CEGYTOHDCFGKAQ-KIFXHHALSA-N 0 0 396.531 3.854 20 10 GHCDRN CC[C@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C(F)F ZINC000836511330 1023051981 /nfs/dbraw/zinc/05/19/81/1023051981.db2.gz IJEQSJGFNNGRIH-AWEZNQCLSA-N 0 0 377.382 3.600 20 10 GHCDRN CC(C)[C@H]1CCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000755125253 1023084281 /nfs/dbraw/zinc/08/42/81/1023084281.db2.gz AOHHHAVLUSSJOQ-JZXOWHBKSA-N 0 0 377.504 3.627 20 10 GHCDRN C[C@@H](NC(=O)N1CC[C@H](c2ccc(F)cc2)C1)c1ccc(N2CCOCC2)cc1 ZINC000755128752 1023085701 /nfs/dbraw/zinc/08/57/01/1023085701.db2.gz BWMCNVCNIFZGDS-XLIONFOSSA-N 0 0 397.494 3.922 20 10 GHCDRN CC[C@H](C)c1ccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1 ZINC000755231504 1023145766 /nfs/dbraw/zinc/14/57/66/1023145766.db2.gz UCISGDUJNOMKJM-INIZCTEOSA-N 0 0 386.517 3.687 20 10 GHCDRN COc1ccc(N2CCN(C(=O)N[C@H](C)CCCC(F)(F)F)CC2)cc1F ZINC000755312458 1023188308 /nfs/dbraw/zinc/18/83/08/1023188308.db2.gz KETKEHKMQOOIPT-CYBMUJFWSA-N 0 0 391.409 3.787 20 10 GHCDRN COc1cc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc(OC)c1C ZINC000836670149 1023233294 /nfs/dbraw/zinc/23/32/94/1023233294.db2.gz UBVWFVLRRIFDDM-INIZCTEOSA-N 0 0 399.491 3.732 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc2nccnc21 ZINC000755492179 1023270287 /nfs/dbraw/zinc/27/02/87/1023270287.db2.gz AQOYKMXJJXAUPW-UHFFFAOYSA-N 0 0 386.249 3.760 20 10 GHCDRN COc1ccc([C@H]2CSCCN2Cc2c(O)cc(OC)cc2OC)cc1 ZINC001141028517 1023276557 /nfs/dbraw/zinc/27/65/57/1023276557.db2.gz RWVMIKNQFOPCLW-GOSISDBHSA-N 0 0 375.490 3.708 20 10 GHCDRN CC(=O)N(c1ccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)cc1)[C@H]1C[C@@H]1C ZINC000836703782 1023277778 /nfs/dbraw/zinc/27/77/78/1023277778.db2.gz JTFKHYPMRZUKAT-QKKBWIMNSA-N 0 0 398.482 3.975 20 10 GHCDRN CC1(C)CCC[C@H](CC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000755610237 1023312293 /nfs/dbraw/zinc/31/22/93/1023312293.db2.gz VUASWOUKNWWNGU-MOPGFXCFSA-N 0 0 385.552 3.611 20 10 GHCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)cc2)C1 ZINC000755607738 1023312307 /nfs/dbraw/zinc/31/23/07/1023312307.db2.gz DISYNIDEVGDZQO-DOIPELPJSA-N 0 0 397.563 3.611 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(F)c(OC)c(F)c2OC)c1 ZINC000836737368 1023324606 /nfs/dbraw/zinc/32/46/06/1023324606.db2.gz OONWBHVDPIRPFS-SECBINFHSA-N 0 0 382.363 3.579 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H]3[C@@H]3CCC[C@@H]3O)c2C)cc1 ZINC000836819756 1023388170 /nfs/dbraw/zinc/38/81/70/1023388170.db2.gz PXZJCCIVJIPZSO-NNWRFLSQSA-N 0 0 382.504 3.868 20 10 GHCDRN Cc1cc(CC(=O)NCc2nnc(C)n2C2CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000756018791 1023478888 /nfs/dbraw/zinc/47/88/88/1023478888.db2.gz SBNRLZDZSTVBCX-UHFFFAOYSA-N 0 0 397.910 3.841 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCO[C@H](c3ccnn3C)C2)c(C)n1-c1ccccc1C ZINC000836976204 1023538022 /nfs/dbraw/zinc/53/80/22/1023538022.db2.gz XDFDSXHZMFLBER-AVRDEDQJSA-N 0 0 392.503 3.786 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](c2ccc(OC)cc2)N2CCCC2)c1 ZINC000756358150 1023603930 /nfs/dbraw/zinc/60/39/30/1023603930.db2.gz SHURXPMCUNKGNB-IIBYNOLFSA-N 0 0 398.503 3.675 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)c1 ZINC000756361192 1023606529 /nfs/dbraw/zinc/60/65/29/1023606529.db2.gz IVGFCODMHWVFFY-QKKBWIMNSA-N 0 0 385.460 3.998 20 10 GHCDRN C[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])N1CCN(c2ccccc2)CC1 ZINC000756412623 1023634370 /nfs/dbraw/zinc/63/43/70/1023634370.db2.gz VEMZJVMFUUKNQQ-HOTGVXAUSA-N 0 0 375.463 3.532 20 10 GHCDRN COCCOc1ncccc1C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756430925 1023644744 /nfs/dbraw/zinc/64/47/44/1023644744.db2.gz KFUFQFPDZCZIHW-NSHDSACASA-N 0 0 399.260 3.565 20 10 GHCDRN CNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])c1 ZINC000756433706 1023647006 /nfs/dbraw/zinc/64/70/06/1023647006.db2.gz GHCDCUOLBSNLBW-NSHDSACASA-N 0 0 383.275 3.675 20 10 GHCDRN C[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1cc(Br)c(F)cc1[O-] ZINC000756440026 1023650704 /nfs/dbraw/zinc/65/07/04/1023650704.db2.gz BZERVOPSOIGANB-NSHDSACASA-N 0 0 387.293 3.783 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)c1 ZINC000756449492 1023657834 /nfs/dbraw/zinc/65/78/34/1023657834.db2.gz MZRLPCUSEONNSO-OAHLLOKOSA-N 0 0 391.471 3.704 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000756454965 1023659649 /nfs/dbraw/zinc/65/96/49/1023659649.db2.gz GWGHXDJCFPMYHN-CABCVRRESA-N 0 0 382.460 3.717 20 10 GHCDRN C[C@@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756454692 1023660750 /nfs/dbraw/zinc/66/07/50/1023660750.db2.gz DWYSUQREHFZGPL-GFCCVEGCSA-N 0 0 388.316 3.965 20 10 GHCDRN C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cc(F)cc(F)c1[O-] ZINC000756457349 1023661618 /nfs/dbraw/zinc/66/16/18/1023661618.db2.gz GKPODCZHOFJHRJ-XIKOKIGWSA-N 0 0 376.403 3.639 20 10 GHCDRN C[C@@H]([NH2+]C1CCN(C(=O)CCc2ccccc2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756474961 1023674501 /nfs/dbraw/zinc/67/45/01/1023674501.db2.gz FEGIKXIFACOKSH-OAHLLOKOSA-N 0 0 388.458 3.945 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1cc(Br)cc(F)c1[O-] ZINC000756503784 1023687239 /nfs/dbraw/zinc/68/72/39/1023687239.db2.gz PPBDVFSHYHSKMD-SCZZXKLOSA-N 0 0 385.199 3.581 20 10 GHCDRN C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1cc(Br)cc(F)c1[O-] ZINC000756503761 1023687487 /nfs/dbraw/zinc/68/74/87/1023687487.db2.gz PJVUYBIXWPUJCN-SECBINFHSA-N 0 0 381.236 3.674 20 10 GHCDRN C[C@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)c1ccc(F)cc1[O-] ZINC000756523768 1023697137 /nfs/dbraw/zinc/69/71/37/1023697137.db2.gz CUUNSQLSKBTIEM-LBPRGKRZSA-N 0 0 395.272 3.765 20 10 GHCDRN COc1cccc([C@H](O)C[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])c1 ZINC000756562746 1023714383 /nfs/dbraw/zinc/71/43/83/1023714383.db2.gz JQJYIKIXKCOLPN-BMLIUANNSA-N 0 0 384.245 3.687 20 10 GHCDRN C[C@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1cc(Br)c(F)cc1[O-] ZINC000756571651 1023717425 /nfs/dbraw/zinc/71/74/25/1023717425.db2.gz CMTJOGLBTMZVDP-NSHDSACASA-N 0 0 387.293 3.593 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1)c1cc(Br)cc(F)c1[O-] ZINC000756582355 1023720790 /nfs/dbraw/zinc/72/07/90/1023720790.db2.gz HORGAOJNCLBCTO-GVXVVHGQSA-N 0 0 387.293 3.591 20 10 GHCDRN Cc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(OC[C@H]2CCOC2)c1 ZINC000756648747 1023753673 /nfs/dbraw/zinc/75/36/73/1023753673.db2.gz ZJJQEAMSRVFSKN-CVEARBPZSA-N 0 0 386.448 3.875 20 10 GHCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1csc([C@H]2CCCO2)n1 ZINC000756656206 1023757296 /nfs/dbraw/zinc/75/72/96/1023757296.db2.gz ADYVIXWXGSNIOW-OAHLLOKOSA-N 0 0 391.456 3.957 20 10 GHCDRN Cc1cc(CCNC(=O)N2CC[C@@H](c3nccn3C)C2)c(C)n1-c1ccccc1 ZINC000756655907 1023757375 /nfs/dbraw/zinc/75/73/75/1023757375.db2.gz DMQSVBKPKZDESA-HXUWFJFHSA-N 0 0 391.519 3.569 20 10 GHCDRN CCc1noc(-c2ccc(CC[NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3[O-])cc2)n1 ZINC000756684021 1023773034 /nfs/dbraw/zinc/77/30/34/1023773034.db2.gz JHQUOTAQBNVMEV-CYBMUJFWSA-N 0 0 382.420 3.806 20 10 GHCDRN C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cc(Br)cc(F)c1[O-] ZINC000756707602 1023782785 /nfs/dbraw/zinc/78/27/85/1023782785.db2.gz LGPAQOILZBJQHS-JTQLQIEISA-N 0 0 399.216 3.932 20 10 GHCDRN Cc1cc(CC(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)[nH]n1 ZINC000756710467 1023784141 /nfs/dbraw/zinc/78/41/41/1023784141.db2.gz XVSWXQVEJOPCRB-UHFFFAOYSA-N 0 0 377.404 3.858 20 10 GHCDRN COc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756713181 1023784883 /nfs/dbraw/zinc/78/48/83/1023784883.db2.gz VWKWQEAQEYGLMG-BONVTDFDSA-N 0 0 384.245 3.687 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000756736417 1023793107 /nfs/dbraw/zinc/79/31/07/1023793107.db2.gz NOYPSSNTZCTYDH-GXSJLCMTSA-N 0 0 389.721 3.858 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)c1 ZINC000756784490 1023813993 /nfs/dbraw/zinc/81/39/93/1023813993.db2.gz NSOFBSWJSLPSTK-ZIAGYGMSSA-N 0 0 381.432 3.683 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)c1 ZINC000756784486 1023814287 /nfs/dbraw/zinc/81/42/87/1023814287.db2.gz NSOFBSWJSLPSTK-KGLIPLIRSA-N 0 0 381.432 3.683 20 10 GHCDRN Cc1cc(CCNC(=O)c2cccc3c2oc(=O)n3C)c(C)n1-c1ccccc1 ZINC000756895789 1023850949 /nfs/dbraw/zinc/85/09/49/1023850949.db2.gz WLPLHXWNNYFOBK-UHFFFAOYSA-N 0 0 389.455 3.512 20 10 GHCDRN C[C@H](NC(=O)C(F)(F)c1c(F)cccc1F)c1ccc(N2CCOCC2)cc1 ZINC000756947506 1023880634 /nfs/dbraw/zinc/88/06/34/1023880634.db2.gz KBUUISJQGWYUEG-ZDUSSCGKSA-N 0 0 396.384 3.771 20 10 GHCDRN CC(C)CC1(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCC1 ZINC000756970649 1023892223 /nfs/dbraw/zinc/89/22/23/1023892223.db2.gz BRLRGJMCRQQLHE-UHFFFAOYSA-N 0 0 387.568 3.911 20 10 GHCDRN Cc1cc(C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)c(C)n1-c1cccc(Cl)c1 ZINC000757000278 1023904344 /nfs/dbraw/zinc/90/43/44/1023904344.db2.gz DALZRVWLYBNQJC-WOJBJXKFSA-N 0 0 388.895 3.768 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141144251 1023962478 /nfs/dbraw/zinc/96/24/78/1023962478.db2.gz XFHOPKGNJLXKFH-UHFFFAOYSA-N 0 0 377.488 3.574 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000837034541 1023968447 /nfs/dbraw/zinc/96/84/47/1023968447.db2.gz DQCGHTKVPBMINA-CRAIPNDOSA-N 0 0 380.410 3.788 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@H]([C@H](O)C(F)(F)F)C2)c(C)n1-c1ccccc1C ZINC000837039883 1023972677 /nfs/dbraw/zinc/97/26/77/1023972677.db2.gz WJUGKUJOHNYBCC-YJBOKZPZSA-N 0 0 380.410 3.788 20 10 GHCDRN Cc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)c(C)n1C1CCOCC1 ZINC000830559041 1023984726 /nfs/dbraw/zinc/98/47/26/1023984726.db2.gz HIJSBOZLOFYNNR-UHFFFAOYSA-N 0 0 382.504 3.971 20 10 GHCDRN CCOC[C@H]1CN(Cc2cc(O)ccc2O)Cc2cn(CC3CCCC3)nc21 ZINC001141159784 1023985546 /nfs/dbraw/zinc/98/55/46/1023985546.db2.gz KYAQJOMACFCQNG-LJQANCHMSA-N 0 0 385.508 3.620 20 10 GHCDRN Cc1cc(CC(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)c(C)n1-c1ccccc1 ZINC000830577131 1023995866 /nfs/dbraw/zinc/99/58/66/1023995866.db2.gz PHOZMBOHTXBUJN-KNQAVFIVSA-N 0 0 384.545 3.808 20 10 GHCDRN [O-]c1c(F)cccc1C[NH+]1CCC(O)(c2ccc(Br)cc2)CC1 ZINC001138123743 1024167259 /nfs/dbraw/zinc/16/72/59/1024167259.db2.gz JSYKXACOHNCPSV-UHFFFAOYSA-N 0 0 380.257 3.777 20 10 GHCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC001138126898 1024173798 /nfs/dbraw/zinc/17/37/98/1024173798.db2.gz LVOFLPFCFZDLSL-RBBKRZOGSA-N 0 0 386.467 3.514 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])C[C@H]1C(F)(F)F ZINC001138131064 1024186540 /nfs/dbraw/zinc/18/65/40/1024186540.db2.gz OFXJWWRALQZBQA-TZMCWYRMSA-N 0 0 392.393 3.809 20 10 GHCDRN COC(=O)c1ccc(CCNC(=O)c2sccc2-n2c(C)ccc2C)cc1 ZINC001141256382 1024312955 /nfs/dbraw/zinc/31/29/55/1024312955.db2.gz IKKWNNJSYOELNC-UHFFFAOYSA-N 0 0 382.485 3.915 20 10 GHCDRN CN(C)c1ccc(CN(C)Cc2cc3c(cc2Br)OCO3)cc1 ZINC001138186235 1024327345 /nfs/dbraw/zinc/32/73/45/1024327345.db2.gz PQYHMKGUZPWMBS-UHFFFAOYSA-N 0 0 377.282 3.876 20 10 GHCDRN NC(=O)N=Nc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 ZINC001141302787 1024466660 /nfs/dbraw/zinc/46/66/60/1024466660.db2.gz SKOAKZCIRRXPJS-UHFFFAOYSA-N 0 0 391.387 3.624 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@@H](CO)Cc3ccccc3C)c2C)cc1 ZINC001138255040 1024477237 /nfs/dbraw/zinc/47/72/37/1024477237.db2.gz TWOOYEOGLYCGNA-HXUWFJFHSA-N 0 0 392.499 3.745 20 10 GHCDRN Cc1cc(C(=O)COC(=O)COC(C)(C)C)c(C)n1-c1ccc(Cl)cn1 ZINC000837619450 1024589890 /nfs/dbraw/zinc/58/98/90/1024589890.db2.gz STNNJZKMAXIVNY-UHFFFAOYSA-N 0 0 378.856 3.684 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NC1CCC(C(F)F)CC1 ZINC000837651253 1024609254 /nfs/dbraw/zinc/60/92/54/1024609254.db2.gz IVUCNUIQZDLNNG-UHFFFAOYSA-N 0 0 383.508 3.863 20 10 GHCDRN Cc1ccc([C@H](C)NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000837737010 1024671424 /nfs/dbraw/zinc/67/14/24/1024671424.db2.gz RAAXWRGIQXHQDD-HNNXBMFYSA-N 0 0 389.446 3.670 20 10 GHCDRN CN1CCCc2cc(CN3CCc4nc(Br)sc4C3)ccc21 ZINC001138357075 1024721865 /nfs/dbraw/zinc/72/18/65/1024721865.db2.gz BWSCZCXBLGXIBI-UHFFFAOYSA-N 0 0 378.339 3.846 20 10 GHCDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC000831706775 1024767360 /nfs/dbraw/zinc/76/73/60/1024767360.db2.gz LDNLTPHVELQJEN-YJBOKZPZSA-N 0 0 376.460 3.720 20 10 GHCDRN C[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000837882093 1024780000 /nfs/dbraw/zinc/78/00/00/1024780000.db2.gz IUDGKCIBZNVGEK-PAXLWEDBSA-N 0 0 383.467 3.579 20 10 GHCDRN COc1ccc(N2CCN(Cc3ccc(OC)c(Cl)c3)CC2)c(OC)c1 ZINC001138476812 1024905762 /nfs/dbraw/zinc/90/57/62/1024905762.db2.gz WBBUCEVNCJWWFK-UHFFFAOYSA-N 0 0 376.884 3.688 20 10 GHCDRN CC[C@@H](CNc1ccccc1)NC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000838190827 1024986003 /nfs/dbraw/zinc/98/60/03/1024986003.db2.gz LXTXRILWDXHFGU-SFHVURJKSA-N 0 0 396.535 3.854 20 10 GHCDRN Cc1nc(SCC(C)C)sc1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000831932127 1025035267 /nfs/dbraw/zinc/03/52/67/1025035267.db2.gz ZESMNEFCYCNIFH-GFCCVEGCSA-N 0 0 394.562 3.901 20 10 GHCDRN Cc1ncc(CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)o1 ZINC000838579445 1025219644 /nfs/dbraw/zinc/21/96/44/1025219644.db2.gz SYCCYCBZQNUWPQ-CYBMUJFWSA-N 0 0 376.888 3.872 20 10 GHCDRN O=C(NC[C@H]1CCCCC1(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000838638034 1025256375 /nfs/dbraw/zinc/25/63/75/1025256375.db2.gz OOODQEBFJKJCBD-IAGOWNOFSA-N 0 0 382.451 3.908 20 10 GHCDRN CC(C)[C@@H]1C[C@H](CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCO1 ZINC000838671569 1025282547 /nfs/dbraw/zinc/28/25/47/1025282547.db2.gz CSZFKFZYMRINLU-LMNJBCLMSA-N 0 0 390.524 3.534 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)N[C@@H]2CCO[C@@H](c3ccccn3)C2)C2CC2)cc1 ZINC000838699799 1025309595 /nfs/dbraw/zinc/30/95/95/1025309595.db2.gz IXCYLDKQNPUEGI-XMSQKQJNSA-N 0 0 394.519 3.742 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N(C1CC1)C1CCCCC1 ZINC000838747223 1025342431 /nfs/dbraw/zinc/34/24/31/1025342431.db2.gz PGVLIPPNVNTMDS-UHFFFAOYSA-N 0 0 393.478 3.808 20 10 GHCDRN O=C(C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1)NC1CCCC1 ZINC000838932273 1025453506 /nfs/dbraw/zinc/45/35/06/1025453506.db2.gz NQWDWYGSLUBYLY-UHFFFAOYSA-N 0 0 394.357 3.588 20 10 GHCDRN O=C(Nc1nc(C(F)(F)F)co1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000839133003 1025626053 /nfs/dbraw/zinc/62/60/53/1025626053.db2.gz OTWPOLVQLSNEOE-GFCCVEGCSA-N 0 0 385.342 3.612 20 10 GHCDRN Fc1cc(CNCc2coc(-c3ccccc3)n2)cc(F)c1N1CCOCC1 ZINC000839146603 1025642654 /nfs/dbraw/zinc/64/26/54/1025642654.db2.gz NSUZSGRKRGUEHQ-UHFFFAOYSA-N 0 0 385.414 3.746 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)Cc1ccc2ccccc2c1 ZINC000839275016 1025771263 /nfs/dbraw/zinc/77/12/63/1025771263.db2.gz KBKIADCUQRPTJZ-UHFFFAOYSA-N 0 0 390.483 3.943 20 10 GHCDRN C[C@H]1CN(C(=O)C=C2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc2NC1=O ZINC000839284357 1025777919 /nfs/dbraw/zinc/77/79/19/1025777919.db2.gz GBHVAPKWDGXNNY-HNNXBMFYSA-N 0 0 399.491 3.565 20 10 GHCDRN CC(C)c1nncn1CCNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001162612106 1025828427 /nfs/dbraw/zinc/82/84/27/1025828427.db2.gz AFYOBGAGHFJEPJ-UHFFFAOYSA-N 0 0 379.420 3.653 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001139125497 1025938112 /nfs/dbraw/zinc/93/81/12/1025938112.db2.gz WBKRPJLEXARTIR-UHFFFAOYSA-N 0 0 382.504 3.647 20 10 GHCDRN Cc1ccc(C2(O)CC[NH+](Cc3c([O-])ccc4c(C)cc(=O)oc43)CC2)cc1 ZINC001139126445 1025939337 /nfs/dbraw/zinc/93/93/37/1025939337.db2.gz HREMWBXQPDRYGO-UHFFFAOYSA-N 0 0 379.456 3.599 20 10 GHCDRN COC(=O)C[C@@H](C)[N@H+](Cc1ccccc1)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139133600 1025946357 /nfs/dbraw/zinc/94/63/57/1025946357.db2.gz IVIRDBQCTMEDMQ-MRXNPFEDSA-N 0 0 395.455 3.761 20 10 GHCDRN C=COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000839481022 1025972040 /nfs/dbraw/zinc/97/20/40/1025972040.db2.gz VRTZWFGJNFHNHH-UHFFFAOYSA-N 0 0 393.487 3.700 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000839524801 1026007701 /nfs/dbraw/zinc/00/77/01/1026007701.db2.gz KWGHJJMDUZFFQR-HNNXBMFYSA-N 0 0 388.430 3.614 20 10 GHCDRN Cc1nc(C(C)C)sc1[C@H](C)N(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839530209 1026016519 /nfs/dbraw/zinc/01/65/19/1026016519.db2.gz NPXMMQODGCUGPA-INIZCTEOSA-N 0 0 388.581 3.950 20 10 GHCDRN Cc1cc(C(=O)CN2CCC[C@H](N3CCCC3=O)CC2)c(C)n1-c1ccccc1 ZINC000839667601 1026185834 /nfs/dbraw/zinc/18/58/34/1026185834.db2.gz UKAMEILMFPDTMX-FQEVSTJZSA-N 0 0 393.531 3.754 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1ccc(CN2C(=O)CCC2=O)cn1 ZINC001163488866 1026212450 /nfs/dbraw/zinc/21/24/50/1026212450.db2.gz YUKVWVHNLDKQAQ-QFIPXVFZSA-N 0 0 393.487 3.789 20 10 GHCDRN CCN(CC)c1ccc(CNc2ccc(N3CCCS3(=O)=O)cc2)cc1F ZINC001461074664 1069376952 /nfs/dbraw/zinc/37/69/52/1069376952.db2.gz ALEHDBLRTLHVBO-UHFFFAOYSA-N 0 0 391.512 3.824 20 10 GHCDRN CCOC(=O)c1ncc(Br)c(Sc2ncc(Cl)s2)n1 ZINC001163817108 1026323603 /nfs/dbraw/zinc/32/36/03/1026323603.db2.gz CWWFGEOKYZYYJY-UHFFFAOYSA-N 0 0 380.676 3.677 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000839912289 1026342183 /nfs/dbraw/zinc/34/21/83/1026342183.db2.gz DOFXWBIKDYSHFR-MRXNPFEDSA-N 0 0 379.504 3.771 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000839915494 1026343828 /nfs/dbraw/zinc/34/38/28/1026343828.db2.gz FWCQTWZNRFZHCZ-SFHVURJKSA-N 0 0 376.504 3.667 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCCn1cnc2ccccc21 ZINC000839915061 1026343913 /nfs/dbraw/zinc/34/39/13/1026343913.db2.gz CFHHVDIIFPYWHK-GOSISDBHSA-N 0 0 378.520 3.938 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCc1nc(-c2cccs2)no1 ZINC000839915409 1026344089 /nfs/dbraw/zinc/34/40/89/1026344089.db2.gz FDGUSJPUPGKUKP-HNNXBMFYSA-N 0 0 398.532 3.853 20 10 GHCDRN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839916758 1026345097 /nfs/dbraw/zinc/34/50/97/1026345097.db2.gz WSVHWPSWEDTKNH-WMZOPIPTSA-N 0 0 391.515 3.623 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000839919742 1026346409 /nfs/dbraw/zinc/34/64/09/1026346409.db2.gz SYYQIMFRQNSMEB-MRXNPFEDSA-N 0 0 397.494 3.688 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cnn(C)c1Cc1ccccc1 ZINC000839921532 1026348494 /nfs/dbraw/zinc/34/84/94/1026348494.db2.gz KSBFNIFWGXBXHQ-SFHVURJKSA-N 0 0 390.531 3.746 20 10 GHCDRN C[C@@H]1CCc2[nH]nc(C(=O)N(Cc3ccc(N(C)C)cc3)CC(F)(F)F)c2C1 ZINC001163911220 1026359051 /nfs/dbraw/zinc/35/90/51/1026359051.db2.gz ZMIGOGGKIUMMAV-CYBMUJFWSA-N 0 0 394.441 3.805 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)Nc2cc(C(N)=O)ccc2F)ccc1C ZINC001141747825 1026411146 /nfs/dbraw/zinc/41/11/46/1026411146.db2.gz JOZFYYJIPICHIC-UHFFFAOYSA-N 0 0 393.418 3.705 20 10 GHCDRN Cc1cc(C(=O)N2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)c(C)n1-c1cccc(C(C)C)c1 ZINC001164256346 1026467050 /nfs/dbraw/zinc/46/70/50/1026467050.db2.gz PTSPHSFZJUFIFT-SOLBZPMBSA-N 0 0 381.520 3.955 20 10 GHCDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCC1(OCCO)CCCCC1 ZINC001164288939 1026477260 /nfs/dbraw/zinc/47/72/60/1026477260.db2.gz WSYVKFYBTPWDAP-UHFFFAOYSA-N 0 0 398.459 3.950 20 10 GHCDRN O=C(c1ccccc1)N1CCC2(C1)CC[NH+](Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139681683 1026536138 /nfs/dbraw/zinc/53/61/38/1026536138.db2.gz BDWANTFLYFZALC-UHFFFAOYSA-N 0 0 386.442 3.799 20 10 GHCDRN CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+](Cc3c(F)ccc(F)c3[O-])C1)C2 ZINC001139686033 1026538893 /nfs/dbraw/zinc/53/88/93/1026538893.db2.gz KQYNPQBGOXEDFR-IVZQSRNASA-N 0 0 387.426 3.766 20 10 GHCDRN Fc1cc(CN2CCN(c3ccc(OCc4cccnc4)cc3)CC2)ccn1 ZINC001139837837 1026656299 /nfs/dbraw/zinc/65/62/99/1026656299.db2.gz ZWNGZPPIHHIJDP-UHFFFAOYSA-N 0 0 378.451 3.517 20 10 GHCDRN CCOc1ccc(N2CCN(Cc3cc(Br)cnc3F)CC2)cc1 ZINC001140006898 1026793717 /nfs/dbraw/zinc/79/37/17/1026793717.db2.gz RNASEXRATOGDGM-UHFFFAOYSA-N 0 0 394.288 3.704 20 10 GHCDRN CCOc1ccccc1N1CCN(Cc2c(O)cccc2Br)CC1 ZINC001140098591 1026874818 /nfs/dbraw/zinc/87/48/18/1026874818.db2.gz GJVDFOHHTRQWTO-UHFFFAOYSA-N 0 0 391.309 3.876 20 10 GHCDRN COc1ccc(N2CCN(Cc3c(O)cccc3Br)CC2)c(C)c1 ZINC001140102406 1026882063 /nfs/dbraw/zinc/88/20/63/1026882063.db2.gz PSCIDSVBLCYLIL-UHFFFAOYSA-N 0 0 391.309 3.794 20 10 GHCDRN CN(Cc1cccs1)c1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1 ZINC000834412666 1026977778 /nfs/dbraw/zinc/97/77/78/1026977778.db2.gz NRYGELGUMLUXOZ-QGOAFFKASA-N 0 0 399.541 3.687 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2ccnc(N3CCCCC3)n2)C1 ZINC001166818120 1027094276 /nfs/dbraw/zinc/09/42/76/1027094276.db2.gz MITPMVMGLVHRQR-UHFFFAOYSA-N 0 0 377.492 3.530 20 10 GHCDRN Cn1c(CC[NH2+]Cc2cc(Br)cc(F)c2[O-])nc2c1cccc2F ZINC001461191249 1069434367 /nfs/dbraw/zinc/43/43/67/1069434367.db2.gz WHADLVRSKQCRGN-UHFFFAOYSA-N 0 0 396.235 3.652 20 10 GHCDRN Cc1cc(C(=O)CS[C@@H]2CCCS(=O)(=O)C2)c(C)n1-c1cccc(F)c1 ZINC001166945104 1027162540 /nfs/dbraw/zinc/16/25/40/1027162540.db2.gz NLGTWQFNKMBDFN-QGZVFWFLSA-N 0 0 395.521 3.726 20 10 GHCDRN COC(=O)c1cc(OC)c(Br)cc1Nc1ccc2c(c1)OCCN2 ZINC001209788087 1027192486 /nfs/dbraw/zinc/19/24/86/1027192486.db2.gz DLXADKCWJJCVGD-UHFFFAOYSA-N 0 0 393.237 3.792 20 10 GHCDRN COc1cc(Br)c(CN2CCc3cccc(O)c3C2)cc1OC ZINC001203342573 1027282748 /nfs/dbraw/zinc/28/27/48/1027282748.db2.gz DFCWRKJDFXQVND-UHFFFAOYSA-N 0 0 378.266 3.730 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N[C@@](C)(C3CC3)C(F)(F)F)C2)cc1 ZINC001210012330 1027314055 /nfs/dbraw/zinc/31/40/55/1027314055.db2.gz GUQQMVIQVXMRMT-UGSOOPFHSA-N 0 0 385.430 3.552 20 10 GHCDRN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCSCC3)cc2)c1C ZINC001141804364 1027329621 /nfs/dbraw/zinc/32/96/21/1027329621.db2.gz XSKYGCSWQDBZQH-UHFFFAOYSA-N 0 0 385.489 3.695 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cc3nc(Cl)ccc3s2)c1 ZINC001210085907 1027337216 /nfs/dbraw/zinc/33/72/16/1027337216.db2.gz NAGLNUCZWOIUSZ-SECBINFHSA-N 0 0 398.893 3.703 20 10 GHCDRN COc1ccc(CNC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)cc1OC ZINC000840237663 1027368977 /nfs/dbraw/zinc/36/89/77/1027368977.db2.gz JJBBQBRDKLBWSN-MRXNPFEDSA-N 0 0 385.508 3.509 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)cc1 ZINC000840245746 1027375006 /nfs/dbraw/zinc/37/50/06/1027375006.db2.gz XXPXVSCLWNQHGO-SFHVURJKSA-N 0 0 389.540 3.796 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCc1noc(-c2cccs2)n1 ZINC000840274562 1027399643 /nfs/dbraw/zinc/39/96/43/1027399643.db2.gz PKVQQCPFNLXKBM-AWEZNQCLSA-N 0 0 399.520 3.603 20 10 GHCDRN COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001203575416 1027445019 /nfs/dbraw/zinc/44/50/19/1027445019.db2.gz NLDWXVIFKOBQQL-UZLBHIALSA-N 0 0 399.362 3.879 20 10 GHCDRN O=C(C[C@H]1[C@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]12)NCc1ccco1 ZINC001203578549 1027447447 /nfs/dbraw/zinc/44/74/47/1027447447.db2.gz NNXILSCZLZYBQV-MUJYYYPQSA-N 0 0 395.286 3.676 20 10 GHCDRN O=C1c2ccccc2CN1[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203584548 1027452514 /nfs/dbraw/zinc/45/25/14/1027452514.db2.gz CAVIMCGDTLDRDO-HNNXBMFYSA-N 0 0 377.271 3.929 20 10 GHCDRN CN(C)c1ccc(/C=C\CNc2ccc(S(=O)(=O)NCC3CC3)cc2)cc1 ZINC001203618796 1027480313 /nfs/dbraw/zinc/48/03/13/1027480313.db2.gz KALZROKGSBXTIC-ARJAWSKDSA-N 0 0 385.533 3.566 20 10 GHCDRN COc1c(F)cccc1Nc1c(CC(N)=O)cccc1C(=O)c1ccccc1 ZINC001210410040 1027495178 /nfs/dbraw/zinc/49/51/78/1027495178.db2.gz WNMZERIKNYXBCR-UHFFFAOYSA-N 0 0 378.403 3.837 20 10 GHCDRN COCCCN(Cc1ccncc1)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840479402 1027562223 /nfs/dbraw/zinc/56/22/23/1027562223.db2.gz OVDIRRRPTXIVPM-LJQANCHMSA-N 0 0 398.551 3.635 20 10 GHCDRN CCCO[C@@H]1CCCN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000840480627 1027564366 /nfs/dbraw/zinc/56/43/66/1027564366.db2.gz XIDIIXJAORJJBW-WIYYLYMNSA-N 0 0 375.557 3.983 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCO[C@H](c2cccs2)C1 ZINC000840481989 1027564392 /nfs/dbraw/zinc/56/43/92/1027564392.db2.gz QWWKTRHAVKXLHT-APWZRJJASA-N 0 0 387.549 3.837 20 10 GHCDRN CCCO[C@H]1CCCN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000840480624 1027564678 /nfs/dbraw/zinc/56/46/78/1027564678.db2.gz XIDIIXJAORJJBW-RXVVDRJESA-N 0 0 375.557 3.983 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000840486064 1027570762 /nfs/dbraw/zinc/57/07/62/1027570762.db2.gz YFCWKJCLNPSFDH-MTNREXPMSA-N 0 0 381.520 3.510 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1ccc(N2CCOC2=O)cc1 ZINC000840490252 1027574841 /nfs/dbraw/zinc/57/48/41/1027574841.db2.gz YMFZCMDCYYWOAH-MRXNPFEDSA-N 0 0 396.491 3.770 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000840489094 1027575117 /nfs/dbraw/zinc/57/51/17/1027575117.db2.gz QVCHMZYAAXGVGQ-PGRDOPGGSA-N 0 0 399.535 3.976 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)/C=C\c3ccc(C=O)cc3)cc2F)C[C@H](C)O1 ZINC001141901973 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GHCDRN COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(C)ccc3C(N)=O)ccc21 ZINC000847242976 1064945533 /nfs/dbraw/zinc/94/55/33/1064945533.db2.gz UJEZNRWAZIQISG-UHFFFAOYSA-N 0 0 379.460 3.564 20 10 GHCDRN CN1CCCc2cc(CNC(=O)N[C@@H](Cc3ccccc3)c3ncco3)ccc21 ZINC000847301611 1065009681 /nfs/dbraw/zinc/00/96/81/1065009681.db2.gz BGMXKGNMRBVPEJ-FQEVSTJZSA-N 0 0 390.487 3.840 20 10 GHCDRN C[C@@H](NC(=O)NCc1ccccc1O)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000847302413 1065011516 /nfs/dbraw/zinc/01/15/16/1065011516.db2.gz MVFCAMLOJOXBIS-VNQPRFMTSA-N 0 0 376.497 3.584 20 10 GHCDRN CCOc1nc(C(F)(F)F)ccc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC001464512468 1065055854 /nfs/dbraw/zinc/05/58/54/1065055854.db2.gz NNZQIVGMHNDTAT-UHFFFAOYSA-N 0 0 393.409 3.812 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC(C2(C(=O)N3Cc4cccc(O)c4C3)CC2)CC1 ZINC001352496691 1065082834 /nfs/dbraw/zinc/08/28/34/1065082834.db2.gz UDPNTALYAGFSOP-UHFFFAOYSA-N 0 0 386.492 3.662 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)Nc2ccc(-n3ccnn3)cc2)c1 ZINC001464713837 1065171155 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C[C@@H]1Oc2ccc(NC(=O)N(C)Cc3ccc(N4CCCC4)cc3)cc2NC1=O ZINC001465075097 1065375982 /nfs/dbraw/zinc/37/59/82/1065375982.db2.gz KHPMIYNTOAJNND-HNNXBMFYSA-N 0 0 394.475 3.670 20 10 GHCDRN CCOc1cc(CCCNC(=O)c2ccc(N=NC(N)=O)cc2)ccc1OC ZINC001465263301 1065510344 /nfs/dbraw/zinc/51/03/44/1065510344.db2.gz NNNZVGYXNQBWAY-UHFFFAOYSA-N 0 0 384.436 3.619 20 10 GHCDRN Cc1c2ccccc2c(=O)oc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000847603284 1065730625 /nfs/dbraw/zinc/73/06/25/1065730625.db2.gz BWRQFNXPLHVQAI-QGZVFWFLSA-N 0 0 393.439 3.628 20 10 GHCDRN COc1ncc(C)cc1NC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC001465736746 1065818816 /nfs/dbraw/zinc/81/88/16/1065818816.db2.gz SULPZGMIWJFSBI-UHFFFAOYSA-N 0 0 377.444 3.800 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](C)C[C@@H](O)c2ccco2)CCCC1 ZINC001465762302 1065838380 /nfs/dbraw/zinc/83/83/80/1065838380.db2.gz SGBAYNAJNSKZLZ-QVKFZJNVSA-N 0 0 396.487 3.750 20 10 GHCDRN Cc1nc2cc(C(=O)N(Cc3ccco3)Cc3ccccc3O)ccc2c(=O)[nH]1 ZINC001465840726 1065892065 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ZINC001477637907 1078502248 /nfs/dbraw/zinc/50/22/48/1078502248.db2.gz GMZPYBGEWULJFJ-QGZVFWFLSA-N 0 0 391.581 3.949 20 10 GHCDRN C[C@H](NC(=O)N1CCc2ccsc2[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC001477639625 1078502826 /nfs/dbraw/zinc/50/28/26/1078502826.db2.gz ZKCKMLXOCOXYEX-HOTGVXAUSA-N 0 0 385.533 3.975 20 10 GHCDRN CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)NCc3ccc(OC)cc3O)[nH]n2)c1C ZINC001467472087 1067314530 /nfs/dbraw/zinc/31/45/30/1067314530.db2.gz XPSZYUHCAOXHPH-GFCCVEGCSA-N 0 0 397.479 3.505 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c(C)ccc(Br)c1OC ZINC001467841108 1067491042 /nfs/dbraw/zinc/49/10/42/1067491042.db2.gz SHZALVVSUXJKGL-UHFFFAOYSA-N 0 0 399.281 3.887 20 10 GHCDRN CCC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001468585766 1067780979 /nfs/dbraw/zinc/78/09/79/1067780979.db2.gz FGXUTSBOPGFAII-PMACEKPBSA-N 0 0 381.520 3.985 20 10 GHCDRN [O-]c1c(Br)cccc1C[NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000849350245 1067816265 /nfs/dbraw/zinc/81/62/65/1067816265.db2.gz 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CC[C@H](CNC(=O)NCCCSc1nccs1)Oc1cccc(F)c1 ZINC001478084484 1078708590 /nfs/dbraw/zinc/70/85/90/1078708590.db2.gz BDEFKNGVHISHDP-CQSZACIVSA-N 0 0 383.514 3.921 20 10 GHCDRN CC[C@@H](CNC(=O)NCCCSc1nccs1)Oc1cccc(F)c1 ZINC001478084483 1078708674 /nfs/dbraw/zinc/70/86/74/1078708674.db2.gz BDEFKNGVHISHDP-AWEZNQCLSA-N 0 0 383.514 3.921 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1coc(/C=C/C(=O)OC(C)(C)C)c1 ZINC001360274182 1068435897 /nfs/dbraw/zinc/43/58/97/1068435897.db2.gz WIEFKJMBMJDVQI-MDZDMXLPSA-N 0 0 384.476 3.939 20 10 GHCDRN CCOc1cccc(CCNC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)n1 ZINC001470038676 1068536531 /nfs/dbraw/zinc/53/65/31/1068536531.db2.gz YJXBKLOBFSYSTG-UHFFFAOYSA-N 0 0 391.471 3.673 20 10 GHCDRN C[C@@H](NC(=O)[C@]1(C)CCCN1C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000773022558 1068619072 /nfs/dbraw/zinc/61/90/72/1068619072.db2.gz VSNDOISTKKLZPD-VFNWGFHPSA-N 0 0 375.513 3.719 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCC[C@H](C)C1 ZINC001470531878 1072612051 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CC[C@H](C)NC(=O)c1ccc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000729034317 844691992 /nfs/dbraw/zinc/69/19/92/844691992.db2.gz FLUXHEZKTXHPBN-UONOGXRCSA-N 0 0 385.464 3.812 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)Cn1c(-c2ccccn2)csc1=O ZINC000729264917 844818842 /nfs/dbraw/zinc/81/88/42/844818842.db2.gz JFZQTSIHNQFZBY-UHFFFAOYSA-N 0 0 382.533 3.906 20 10 GHCDRN CC(=O)NC[C@@H]1CCCN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1 ZINC000176231819 844890881 /nfs/dbraw/zinc/89/08/81/844890881.db2.gz XTZLCOUTSVBDNY-FQEVSTJZSA-N 0 0 381.520 3.699 20 10 GHCDRN COc1cc2c(cc1CNC(=O)NCc1ccc(N3CCCC3)cc1)O[C@@H](C)C2 ZINC000178874626 844911961 /nfs/dbraw/zinc/91/19/61/844911961.db2.gz SOLWFUJTNKSXOM-INIZCTEOSA-N 0 0 395.503 3.618 20 10 GHCDRN COc1cccc(CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1O ZINC000161105515 844983893 /nfs/dbraw/zinc/98/38/93/844983893.db2.gz GBOUAVBCPAENLU-UHFFFAOYSA-N 0 0 395.786 3.552 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000098093811 845261772 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CCc1nc(CC(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cs1 ZINC000103413516 845718563 /nfs/dbraw/zinc/71/85/63/845718563.db2.gz KJGLNEZRPFBDGA-UHFFFAOYSA-N 0 0 385.455 3.905 20 10 GHCDRN CC[C@@H](c1ccncc1)N(CC)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000157041400 845825532 /nfs/dbraw/zinc/82/55/32/845825532.db2.gz GYVXHMYWVGVOGO-FNNXTJRKSA-N 0 0 379.504 3.931 20 10 GHCDRN O=C(NCC[C@@H]1CCC(F)(F)C1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000892136261 846005894 /nfs/dbraw/zinc/00/58/94/846005894.db2.gz YWRAYWRWPZQYPW-INIZCTEOSA-N 0 0 395.494 3.520 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3COc4ccccc4C3)ccc21 ZINC000728460945 846024903 /nfs/dbraw/zinc/02/49/03/846024903.db2.gz OEMQEUREYKRGJU-GOSISDBHSA-N 0 0 392.499 3.886 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cc(F)cc(F)c1 ZINC000128570560 861657491 /nfs/dbraw/zinc/65/74/91/861657491.db2.gz DXBALQDAHJIVBD-UHFFFAOYSA-N 0 0 387.430 3.552 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccn(C(C)C)n1 ZINC000280438629 846398525 /nfs/dbraw/zinc/39/85/25/846398525.db2.gz 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COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)ccc21 ZINC000728514178 848166117 /nfs/dbraw/zinc/16/61/17/848166117.db2.gz TVIZTQCAAYNZBD-UHFFFAOYSA-N 0 0 378.432 3.739 20 10 GHCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000728519579 848247325 /nfs/dbraw/zinc/24/73/25/848247325.db2.gz LTNUEPGSRKCPFX-QGZVFWFLSA-N 0 0 392.421 3.991 20 10 GHCDRN O=C(CN1CCCc2cc(OC(F)F)ccc21)N1CCC[C@H](C(F)(F)F)C1 ZINC000065597799 848298153 /nfs/dbraw/zinc/29/81/53/848298153.db2.gz MRDHOHVBFDDADD-ZDUSSCGKSA-N 0 0 392.368 3.842 20 10 GHCDRN CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cc(Br)cc(OC)c1O ZINC000731853065 861909450 /nfs/dbraw/zinc/90/94/50/861909450.db2.gz ACQFGZKOXAWGKX-INIZCTEOSA-N 0 0 397.313 3.707 20 10 GHCDRN COc1cccc(CO[C@H](C)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000731859079 861914364 /nfs/dbraw/zinc/91/43/64/861914364.db2.gz PYNNNFFOEZRBJU-UTKZUKDTSA-N 0 0 399.487 3.514 20 10 GHCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc2c(c1)C(=O)CCC2 ZINC000277987275 848745920 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Cc1ccc2c(N3CC=C(CCN4C(=O)c5ccccc5C4=O)CC3)ccnc2n1 ZINC000435568501 850652785 /nfs/dbraw/zinc/65/27/85/850652785.db2.gz PHABRNTZCQTYCN-UHFFFAOYSA-N 0 0 398.466 3.761 20 10 GHCDRN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(N(C)C)nc2)C1 ZINC000435660832 850730311 /nfs/dbraw/zinc/73/03/11/850730311.db2.gz ASAHZCCOGFZUBM-UHFFFAOYSA-N 0 0 391.519 3.508 20 10 GHCDRN COc1cc([C@@H](C)NC(=O)C2=CC(=O)CS2)ccc1OCc1ccncc1 ZINC000732273243 862169462 /nfs/dbraw/zinc/16/94/62/862169462.db2.gz OCZMBSVODJURSL-CYBMUJFWSA-N 0 0 384.457 3.927 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc(C2CCOCC2)n1Cc1cccs1 ZINC000909877550 850830328 /nfs/dbraw/zinc/83/03/28/850830328.db2.gz LDFFNYYOGODMGP-UHFFFAOYSA-N 0 0 384.505 3.624 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000155690263 850845444 /nfs/dbraw/zinc/84/54/44/850845444.db2.gz HZLYFWLOLUONNS-QHCPKHFHSA-N 0 0 391.515 3.954 20 10 GHCDRN COc1ccc2c(c1)CCCN2CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000027959783 850873150 /nfs/dbraw/zinc/87/31/50/850873150.db2.gz SVFXXICZACRKAM-UHFFFAOYSA-N 0 0 390.430 3.708 20 10 GHCDRN Cc1ccc(NC(=O)CSCC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000028047099 850990499 /nfs/dbraw/zinc/99/04/99/850990499.db2.gz BWZNMSAMTOHXBG-UHFFFAOYSA-N 0 0 397.544 3.583 20 10 GHCDRN C[C@H](Oc1ccc(Br)cc1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000018150379 851011288 /nfs/dbraw/zinc/01/12/88/851011288.db2.gz QWBJYOSTMBFGLD-AWEZNQCLSA-N 0 0 391.309 3.941 20 10 GHCDRN CC(=O)c1ccc(Cl)c(Cl)c1OCC(=O)NCc1ccc(N(C)C)cc1 ZINC000171398326 862199273 /nfs/dbraw/zinc/19/92/73/862199273.db2.gz HINKAILJBRLHIF-UHFFFAOYSA-N 0 0 395.286 3.957 20 10 GHCDRN COC(=O)c1ccc(NC(=O)NCc2c(C)c3ccccc3n2C)cc1OC ZINC000434396641 851078758 /nfs/dbraw/zinc/07/87/58/851078758.db2.gz RGMCLWKYSTWYKE-UHFFFAOYSA-N 0 0 381.432 3.604 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000028331111 851430339 /nfs/dbraw/zinc/43/03/39/851430339.db2.gz OOFDGDXDJNIPAX-GOSISDBHSA-N 0 0 387.524 3.550 20 10 GHCDRN CN(CCCCC(=O)NCc1ccc2cccnc2c1O)C(=O)OC(C)(C)C ZINC000911263556 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CCC(CC)NC(=O)[C@@H]1CN(C(=O)/C=C\c2cncc(C)c2)c2ccccc2O1 ZINC000772097927 875677512 /nfs/dbraw/zinc/67/75/12/875677512.db2.gz DFVJWILIXXRWCO-XPTLAUCJSA-N 0 0 393.487 3.502 20 10 GHCDRN CC(C)N1CC[C@H](NC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)C1=O ZINC000772137189 875723784 /nfs/dbraw/zinc/72/37/84/875723784.db2.gz WKSWSSLDMZYWQB-FQEVSTJZSA-N 0 0 393.491 3.907 20 10 GHCDRN CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccc([N+](=O)[O-])c(OC)c1O ZINC000772177052 875734825 /nfs/dbraw/zinc/73/48/25/875734825.db2.gz KAHILCCTUMOPJD-MRXNPFEDSA-N 0 0 377.784 3.549 20 10 GHCDRN COCCOC[C@@H](C)NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000772150700 875748223 /nfs/dbraw/zinc/74/82/23/875748223.db2.gz HJARLIPBDHGTAJ-MRXNPFEDSA-N 0 0 384.480 3.949 20 10 GHCDRN COc1ccc(N2CCCN(Cc3nc4sc(C)c(C)c4c(N)n3)CC2)cc1 ZINC000772174316 875768716 /nfs/dbraw/zinc/76/87/16/875768716.db2.gz HMQBFRLBKJJVTB-UHFFFAOYSA-N 0 0 397.548 3.611 20 10 GHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC1(OCCO)CCC(F)(F)CC1 ZINC000858236238 882964762 /nfs/dbraw/zinc/96/47/62/882964762.db2.gz FPTKBOJTYRPYRK-UHFFFAOYSA-N 0 0 384.250 3.746 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000858242960 882971441 /nfs/dbraw/zinc/97/14/41/882971441.db2.gz XMTICVYCPFUBRJ-CEWLAPEOSA-N 0 0 379.891 3.854 20 10 GHCDRN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC001201799862 875867160 /nfs/dbraw/zinc/86/71/60/875867160.db2.gz SEOZTTXFVNPTPK-UHFFFAOYSA-N 0 0 377.462 3.522 20 10 GHCDRN Cc1cnccc1OC1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000772402250 875911790 /nfs/dbraw/zinc/91/17/90/875911790.db2.gz GLVFVLMNSFAUEU-QGZVFWFLSA-N 0 0 382.508 3.770 20 10 GHCDRN COc1ccc(CN[C@H](c2cnn(C)c2)c2ccccc2)cc1Cn1cccn1 ZINC001201970723 875958815 /nfs/dbraw/zinc/95/88/15/875958815.db2.gz JNQFECRGINMSTK-QHCPKHFHSA-N 0 0 387.487 3.553 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@H]2c2c(C)nn(C)c2C)cc1 ZINC000772483928 875986050 /nfs/dbraw/zinc/98/60/50/875986050.db2.gz WVBUIGYVRUEWPZ-NRFANRHFSA-N 0 0 392.503 3.658 20 10 GHCDRN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)C1=CC(=O)CS1 ZINC000776245847 876026738 /nfs/dbraw/zinc/02/67/38/876026738.db2.gz IKJSQGDSQUQYQN-AWEZNQCLSA-N 0 0 398.322 3.984 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCOCc1ccc(OC)cc1 ZINC000772565479 876028891 /nfs/dbraw/zinc/02/88/91/876028891.db2.gz PUAROXUSWPMRQQ-UHFFFAOYSA-N 0 0 385.508 3.510 20 10 GHCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000776249960 876048563 /nfs/dbraw/zinc/04/85/63/876048563.db2.gz AMWBEPDCCOXVGR-WVSHTKLVSA-N 0 0 393.119 3.558 20 10 GHCDRN O=C(OCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1cccc(O)c1O ZINC000776279440 876164192 /nfs/dbraw/zinc/16/41/92/876164192.db2.gz KCXMDJXFPURYOK-UHFFFAOYSA-N 0 0 380.278 3.524 20 10 GHCDRN COc1ccc2c(c1)C(=O)N(C1CC1)[C@@H](c1cc(Br)ccc1O)N2 ZINC000106899721 876270452 /nfs/dbraw/zinc/27/04/52/876270452.db2.gz UWQBPLFICREUIF-KRWDZBQOSA-N 0 0 389.249 3.892 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1(c2cccc(Cl)c2)CC1 ZINC000030569957 876326868 /nfs/dbraw/zinc/32/68/68/876326868.db2.gz YWFLXHWYDFOWQU-UHFFFAOYSA-N 0 0 384.907 3.867 20 10 GHCDRN O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1F ZINC000006428407 876375788 /nfs/dbraw/zinc/37/57/88/876375788.db2.gz DHSJGDDJYPZCQD-UHFFFAOYSA-N 0 0 388.350 3.641 20 10 GHCDRN Cc1ccc(C(=O)N2CCC(Cc3nc(C4CCCC4)no3)CC2)c(O)c1O ZINC000529636070 876419251 /nfs/dbraw/zinc/41/92/51/876419251.db2.gz ZDQJFWCALRZYKS-UHFFFAOYSA-N 0 0 385.464 3.542 20 10 GHCDRN CC(=O)N1CCN(c2ccc(CNc3ncnc4sc(C)c(C)c43)cc2)CC1 ZINC000786037166 876423111 /nfs/dbraw/zinc/42/31/11/876423111.db2.gz MPQMIFRNOKJWLW-UHFFFAOYSA-N 0 0 395.532 3.589 20 10 GHCDRN C[C@H](Cc1ccccc1)NC(=S)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000786057434 876432464 /nfs/dbraw/zinc/43/24/64/876432464.db2.gz GCKDEJCGGSANIO-XLIONFOSSA-N 0 0 384.545 3.879 20 10 GHCDRN CCCc1noc(CCCC(=O)NCc2ccc(N3CCC(C)CC3)cc2)n1 ZINC000108296017 876452722 /nfs/dbraw/zinc/45/27/22/876452722.db2.gz XUMJAFXHNXYSEI-UHFFFAOYSA-N 0 0 384.524 3.898 20 10 GHCDRN COc1ccc2[nH]c(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc2c1 ZINC000786169749 876538419 /nfs/dbraw/zinc/53/84/19/876538419.db2.gz SFXWAKKRVJZTRM-OAHLLOKOSA-N 0 0 379.460 3.504 20 10 GHCDRN CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)Sc1ncc(Cl)s1 ZINC000849998076 876583534 /nfs/dbraw/zinc/58/35/34/876583534.db2.gz JWTRWBIQPAJWOI-NSHDSACASA-N 0 0 397.953 3.937 20 10 GHCDRN C[C@H](NC(=O)N1CCN(c2cccc3[nH]ccc32)CC1)c1ccc(N(C)C)cc1 ZINC000858368138 883053125 /nfs/dbraw/zinc/05/31/25/883053125.db2.gz DNZPSLGQDMPXKI-KRWDZBQOSA-N 0 0 391.519 3.827 20 10 GHCDRN COc1cc(CNc2ccc(OC)c(S(C)(=O)=O)c2)c(O)c(C(C)(C)C)c1 ZINC000850326478 876813162 /nfs/dbraw/zinc/81/31/62/876813162.db2.gz NVMKVFNHKFIZRW-UHFFFAOYSA-N 0 0 393.505 3.723 20 10 GHCDRN CN(C)c1ccc(CNc2cnn(C(C)(C)C(=O)OC(C)(C)C)c2)cc1F ZINC000850365950 876853909 /nfs/dbraw/zinc/85/39/09/876853909.db2.gz UZVMUIYGLXECTI-UHFFFAOYSA-N 0 0 376.476 3.777 20 10 GHCDRN COC(=O)C[C@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1ccncc1 ZINC000786677845 876887171 /nfs/dbraw/zinc/88/71/71/876887171.db2.gz RBWIVRNRPQKASY-FQEVSTJZSA-N 0 0 377.444 3.523 20 10 GHCDRN Cc1ccc(C(F)(F)F)c(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000850415653 876896206 /nfs/dbraw/zinc/89/62/06/876896206.db2.gz NPKGCJVYMBOXKY-CYBMUJFWSA-N 0 0 393.409 3.896 20 10 GHCDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(N2CCCCC2)cc1 ZINC000786779781 876933890 /nfs/dbraw/zinc/93/38/90/876933890.db2.gz WCFIJULGVNZQOE-UHFFFAOYSA-N 0 0 389.477 3.601 20 10 GHCDRN COC[C@@H]([NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-])C1CCOCC1 ZINC000850492511 876970276 /nfs/dbraw/zinc/97/02/76/876970276.db2.gz BVOOZAJNKXWWLX-MEBBXXQBSA-N 0 0 392.721 3.900 20 10 GHCDRN C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000850530795 877002055 /nfs/dbraw/zinc/00/20/55/877002055.db2.gz COVTYDKXNDYYMK-GFCCVEGCSA-N 0 0 379.444 3.809 20 10 GHCDRN C[C@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Br)c(F)cc1[O-] ZINC000850554695 877021604 /nfs/dbraw/zinc/02/16/04/877021604.db2.gz FLCZKIPSQAHILV-QWRGUYRKSA-N 0 0 387.293 3.591 20 10 GHCDRN C[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1cc(Br)c(F)cc1[O-] ZINC000850562568 877028448 /nfs/dbraw/zinc/02/84/48/877028448.db2.gz NYAIXPOXSHJWNV-DIFFPNOSSA-N 0 0 390.293 3.512 20 10 GHCDRN C[C@@H]1CC[C@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)C1 ZINC000776478101 877037576 /nfs/dbraw/zinc/03/75/76/877037576.db2.gz CVZHIDNMKGOUNB-HHXXYDBFSA-N 0 0 389.540 3.871 20 10 GHCDRN Cc1cc(C(=O)COC(=O)Cc2ccccc2CO)c(C)n1-c1cccc(F)c1 ZINC000787060903 877149965 /nfs/dbraw/zinc/14/99/65/877149965.db2.gz FSJUWBYDSMCIKA-UHFFFAOYSA-N 0 0 395.430 3.694 20 10 GHCDRN O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(F)c1 ZINC000007568589 877161262 /nfs/dbraw/zinc/16/12/62/877161262.db2.gz UDJVVPYJNLNDCO-UHFFFAOYSA-N 0 0 388.350 3.641 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000787119963 877162413 /nfs/dbraw/zinc/16/24/13/877162413.db2.gz GMUHODKJVXEJDZ-WBVHZDCISA-N 0 0 376.497 3.776 20 10 GHCDRN COc1ncc(/C=C/C(=O)N2CCc3cc(Br)c(Cl)cc32)cn1 ZINC000787355179 877372354 /nfs/dbraw/zinc/37/23/54/877372354.db2.gz UTHDVMFVCKHXCK-NSCUHMNNSA-N 0 0 394.656 3.504 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000787517788 877478047 /nfs/dbraw/zinc/47/80/47/877478047.db2.gz KPFKINZYFWIRKV-UHFFFAOYSA-N 0 0 394.543 3.551 20 10 GHCDRN Cc1cc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000787667167 877540797 /nfs/dbraw/zinc/54/07/97/877540797.db2.gz ATYRNSVTHWFODS-KRWDZBQOSA-N 0 0 399.510 3.559 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CSc2ccc(Br)cc21 ZINC000787719057 877578986 /nfs/dbraw/zinc/57/89/86/877578986.db2.gz ZYPICTGCLDZXLL-NHEDYWLLSA-N 0 0 392.274 3.837 20 10 GHCDRN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000787726525 877592404 /nfs/dbraw/zinc/59/24/04/877592404.db2.gz GCGAFPCHYLKLQN-XVNBXDOJSA-N 0 0 375.837 3.865 20 10 GHCDRN OCC1CCN(c2ccc(CNc3ncccc3Br)cc2)CC1 ZINC000787897648 877723938 /nfs/dbraw/zinc/72/39/38/877723938.db2.gz QWMKSDAITSDBIM-UHFFFAOYSA-N 0 0 376.298 3.665 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000788232321 877968678 /nfs/dbraw/zinc/96/86/78/877968678.db2.gz GIVFMJBLHAUWOD-FQEVSTJZSA-N 0 0 381.520 3.581 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCSc4ccccc43)C2)cc1 ZINC000851938316 877989307 /nfs/dbraw/zinc/98/93/07/877989307.db2.gz NVNJWARVKCSVBF-HNAYVOBHSA-N 0 0 383.517 3.810 20 10 GHCDRN COc1ccc(N2CCN(C(=O)CCC(=O)c3ccc(C)c(C)c3)CC2)cc1 ZINC000008138989 878009389 /nfs/dbraw/zinc/00/93/89/878009389.db2.gz BXYMUMYIWXPCNJ-UHFFFAOYSA-N 0 0 380.488 3.624 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H](c1ccccc1)C1CCC1 ZINC000852060402 878054975 /nfs/dbraw/zinc/05/49/75/878054975.db2.gz FJMKJVASURZXOU-HSZRJFAPSA-N 0 0 393.531 3.988 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(CSC)c3)C2)cc1 ZINC000852273157 878191900 /nfs/dbraw/zinc/19/19/00/878191900.db2.gz SJCIBHIGUTVTJU-SFHVURJKSA-N 0 0 385.533 3.636 20 10 GHCDRN O=C(NCc1ccccc1O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000788766870 878304183 /nfs/dbraw/zinc/30/41/83/878304183.db2.gz XPNUYNPCPMTQJQ-AWEZNQCLSA-N 0 0 380.275 3.777 20 10 GHCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(O[C@H]2CCOC2)cc1 ZINC000788743343 878316975 /nfs/dbraw/zinc/31/69/75/878316975.db2.gz RZQAMXNIHSHYNA-QFIPXVFZSA-N 0 0 380.488 3.775 20 10 GHCDRN Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cccc(C(F)(F)F)c3[O-])C2)n(C)n1 ZINC000788777794 878339999 /nfs/dbraw/zinc/33/99/99/878339999.db2.gz VUNACXUIQYHHJO-KGLIPLIRSA-N 0 0 382.430 3.773 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](OC2CCCC2)C(F)(F)F)c1 ZINC000852497507 878377311 /nfs/dbraw/zinc/37/73/11/878377311.db2.gz WHHOMYMMVRMXLA-MEDUHNTESA-N 0 0 390.402 3.651 20 10 GHCDRN O=C(NCC(F)(F)c1ccccc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000788846109 878380181 /nfs/dbraw/zinc/38/01/81/878380181.db2.gz JYVBTVCIQSIXAS-GOSISDBHSA-N 0 0 390.430 3.875 20 10 GHCDRN C[C@@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cscn1 ZINC000852514925 878387458 /nfs/dbraw/zinc/38/74/58/878387458.db2.gz MJTDNNKLRFNCHM-OLZOCXBDSA-N 0 0 396.463 3.774 20 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/nfs/dbraw/zinc/55/02/64/878550264.db2.gz NKZUEOSEANZVBQ-UHFFFAOYSA-N 0 0 387.446 3.942 20 10 GHCDRN Cc1cc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1N(C)C ZINC000068483407 878613690 /nfs/dbraw/zinc/61/36/90/878613690.db2.gz TWOSBPDKIQCTRZ-QGZVFWFLSA-N 0 0 382.508 3.780 20 10 GHCDRN C[C@H](NC(=O)Nc1ccc(F)c(F)c1F)c1ccc(N2CCOCC2)cc1 ZINC000068481842 878614062 /nfs/dbraw/zinc/61/40/62/878614062.db2.gz QKFXNOFADLSPKQ-LBPRGKRZSA-N 0 0 379.382 3.823 20 10 GHCDRN COc1cccc(CNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1O ZINC000068489036 878631110 /nfs/dbraw/zinc/63/11/10/878631110.db2.gz WCEODROPYDKAFE-UHFFFAOYSA-N 0 0 386.835 3.958 20 10 GHCDRN Nc1ccc(CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)cc1 ZINC000238068163 878672139 /nfs/dbraw/zinc/67/21/39/878672139.db2.gz PAMNMSUVOVWARS-UHFFFAOYSA-N 0 0 380.469 3.877 20 10 GHCDRN Cc1cc(CCNC(=O)N2CCCc3n[nH]cc3C2)c(C)n1-c1ccccc1 ZINC000852968387 878683319 /nfs/dbraw/zinc/68/33/19/878683319.db2.gz PLZXQKKNRSZVBM-UHFFFAOYSA-N 0 0 377.492 3.518 20 10 GHCDRN COCCN(Cc1ncc(Br)s1)c1ccc(OC)c(OC)c1 ZINC000789299813 878814400 /nfs/dbraw/zinc/81/44/00/878814400.db2.gz IHYXJFAJAPELJH-UHFFFAOYSA-N 0 0 387.299 3.576 20 10 GHCDRN CC1(C)Cc2cccc(NC(=O)NCc3ccc(N4CCOCC4)cc3)c2O1 ZINC000789396052 878889845 /nfs/dbraw/zinc/88/98/45/878889845.db2.gz LJOORKRNVAXSDG-UHFFFAOYSA-N 0 0 381.476 3.558 20 10 GHCDRN CC[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(OC)cc1 ZINC000853239232 878922775 /nfs/dbraw/zinc/92/27/75/878922775.db2.gz CMULOONTPIWMGT-QFIPXVFZSA-N 0 0 397.519 3.607 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3cc(F)c(F)cc3F)cc2F)C[C@@H](C)O1 ZINC000746810294 878926648 /nfs/dbraw/zinc/92/66/48/878926648.db2.gz QJQGTZHXGOJLDQ-VXGBXAGGSA-N 0 0 396.384 3.787 20 10 GHCDRN Cc1nn(CC(C)C)c(C)c1CCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000746811983 878932462 /nfs/dbraw/zinc/93/24/62/878932462.db2.gz VXPNSKJZYALZJL-UHFFFAOYSA-N 0 0 382.552 3.787 20 10 GHCDRN CN1CCCc2cc(CNC(=O)c3cc(Cl)c4c(c3)OCCCO4)ccc21 ZINC000746814535 878980874 /nfs/dbraw/zinc/98/08/74/878980874.db2.gz 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CCOc1cc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)ccc1OC ZINC000854302042 879705975 /nfs/dbraw/zinc/70/59/75/879705975.db2.gz XCVZZCCOPVIXCV-MRXNPFEDSA-N 0 0 385.464 3.503 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)c3c(Cl)cnn3C)cc2Cl)C1 ZINC000854344916 879743117 /nfs/dbraw/zinc/74/31/17/879743117.db2.gz RYDJTSYZSJNLES-LBPRGKRZSA-N 0 0 381.307 3.893 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccc(Cl)c(F)c1 ZINC000790483971 879757585 /nfs/dbraw/zinc/75/75/85/879757585.db2.gz OUCVJSGOOCBTFY-UHFFFAOYSA-N 0 0 376.859 3.517 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2Br)c1 ZINC000112393750 879930014 /nfs/dbraw/zinc/93/00/14/879930014.db2.gz RSOSBMVSCDHLIB-NEPJUHHUSA-N 0 0 394.265 3.808 20 10 GHCDRN COc1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(F)c1 ZINC000790824007 880030208 /nfs/dbraw/zinc/03/02/08/880030208.db2.gz HHFAQPLIGRFVNW-UHFFFAOYSA-N 0 0 392.496 3.645 20 10 GHCDRN COCCN(CCc1ccccc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000746947101 880045369 /nfs/dbraw/zinc/04/53/69/880045369.db2.gz 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377.488 3.977 20 10 GHCDRN CC[C@@H](C)n1ncc(NC(=O)C(=O)N(C)Cc2ccc(N(CC)CC)cc2)c1C ZINC000792206913 880987233 /nfs/dbraw/zinc/98/72/33/880987233.db2.gz QVVKUNNUOIRJAF-MRXNPFEDSA-N 0 0 399.539 3.606 20 10 GHCDRN C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccc(NC(=O)c2ccncc2)cc1 ZINC000113955028 880990762 /nfs/dbraw/zinc/99/07/62/880990762.db2.gz PSOBPSFWJCMMAK-CQSZACIVSA-N 0 0 392.415 3.799 20 10 GHCDRN COc1ccc(N2CCN(C(=O)CCc3cnc4ccccc4c3)CC2)cc1F ZINC000792211731 881005133 /nfs/dbraw/zinc/00/51/33/881005133.db2.gz JQDHPUGBLCZLFT-UHFFFAOYSA-N 0 0 393.462 3.664 20 10 GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(O)c2ccccc2c1 ZINC000792303712 881033900 /nfs/dbraw/zinc/03/39/00/881033900.db2.gz HRMLJGAAROTUMM-UHFFFAOYSA-N 0 0 399.830 3.720 20 10 GHCDRN O=C(C[C@H]1CCCc2ccccc21)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856211458 881045691 /nfs/dbraw/zinc/04/56/91/881045691.db2.gz QTSIYFCBXDDEOA-HXUWFJFHSA-N 0 0 378.516 3.774 20 10 GHCDRN O=C(NCc1ccc2ncccc2c1)NCc1cccc(Br)c1O ZINC000792326459 881049699 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Cc1ccc(NC(=O)CN(C)Cc2ccc(N3CCOCC3)cc2)c(Cl)c1 ZINC000152979503 881288723 /nfs/dbraw/zinc/28/87/23/881288723.db2.gz AHCGIHUFTMKCEN-UHFFFAOYSA-N 0 0 387.911 3.556 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2nc(-c3cccnc3)no2)cc1 ZINC000114345591 881298649 /nfs/dbraw/zinc/29/86/49/881298649.db2.gz NFGBGOZEHPJDTG-UHFFFAOYSA-N 0 0 387.443 3.811 20 10 GHCDRN Cc1ccc(OCCCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000919968204 881305842 /nfs/dbraw/zinc/30/58/42/881305842.db2.gz FMCFSPHVWYCYQZ-UHFFFAOYSA-N 0 0 396.531 3.679 20 10 GHCDRN CC12CC(C1)CN2C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000856510085 881312568 /nfs/dbraw/zinc/31/25/68/881312568.db2.gz GTAKNAAIYXPNHH-RIYZIHGNSA-N 0 0 392.571 3.740 20 10 GHCDRN COc1cccc(C(=O)NCc2ccc3c(c2)CCCN3C)c1OC(F)F ZINC000116153598 883157585 /nfs/dbraw/zinc/15/75/85/883157585.db2.gz JQSAQYHPYQKVML-UHFFFAOYSA-N 0 0 376.403 3.609 20 10 GHCDRN CSCc1nc2ccccc2n1CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000116153891 883159708 /nfs/dbraw/zinc/15/97/08/883159708.db2.gz 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ONUBROHSJVCETO-UHFFFAOYSA-N 0 0 395.546 3.739 20 10 GHCDRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809577109 887555694 /nfs/dbraw/zinc/55/56/94/887555694.db2.gz VIVBEEOQJVOACP-QZTJIDSGSA-N 0 0 386.561 3.503 20 10 GHCDRN Cc1cc(CCNC(=O)[C@H]2Cc3cc(F)ccc3O2)c(C)n1-c1ccccc1 ZINC001131781737 887601095 /nfs/dbraw/zinc/60/10/95/887601095.db2.gz MFIYIKJKSHZSTH-JOCHJYFZSA-N 0 0 378.447 3.896 20 10 GHCDRN Cn1nccc1C1=CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000809690095 887666058 /nfs/dbraw/zinc/66/60/58/887666058.db2.gz GZBBFTRJYVQNQR-UHFFFAOYSA-N 0 0 381.480 3.608 20 10 GHCDRN CCOc1c(Cl)cccc1CNc1cc(CS(C)(=O)=O)ccc1OC ZINC000809695905 887673698 /nfs/dbraw/zinc/67/36/98/887673698.db2.gz VGQMCFWEISHQCY-UHFFFAOYSA-N 0 0 383.897 3.904 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794616583 887682654 /nfs/dbraw/zinc/68/26/54/887682654.db2.gz MDJKPKMNUXAVHL-UHFFFAOYSA-N 0 0 396.447 3.583 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)Cc2cnc(N3CCCC3)nc2)cc1 ZINC000809731062 887712599 /nfs/dbraw/zinc/71/25/99/887712599.db2.gz BBFBGYWNAVJPKP-UHFFFAOYSA-N 0 0 391.519 3.938 20 10 GHCDRN C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809702835 887718879 /nfs/dbraw/zinc/71/88/79/887718879.db2.gz ZAJFDLPHYHDKIH-UHFFFAOYSA-N 0 0 388.811 3.678 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000809704739 887725145 /nfs/dbraw/zinc/72/51/45/887725145.db2.gz IVWJKXVIIZDIEQ-AWEZNQCLSA-N 0 0 382.220 3.742 20 10 GHCDRN CN1CCCc2cc(CNC(=O)Nc3ccccc3O[C@@H]3CCOC3)ccc21 ZINC000120020102 887743759 /nfs/dbraw/zinc/74/37/59/887743759.db2.gz WWCOSWKCJHUDNC-GOSISDBHSA-N 0 0 381.476 3.558 20 10 GHCDRN C[NH+](C)CCN(Cc1cccc(F)c1)Cc1cccc(Br)c1[O-] ZINC000809737581 887769167 /nfs/dbraw/zinc/76/91/67/887769167.db2.gz IKQGTYIAIOZZRB-UHFFFAOYSA-N 0 0 381.289 3.858 20 10 GHCDRN Cc1nc2ccc(NC(=O)NCc3ccc(N4CCC(C)CC4)cc3)cn2n1 ZINC000809894727 887957983 /nfs/dbraw/zinc/95/79/83/887957983.db2.gz IQXOVIVCIGNXOO-UHFFFAOYSA-N 0 0 378.480 3.596 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Cn2nc(C(F)(F)F)cc2C)cc1 ZINC000809974234 888032537 /nfs/dbraw/zinc/03/25/37/888032537.db2.gz QBSJVLWMJGWQCM-UHFFFAOYSA-N 0 0 382.430 3.715 20 10 GHCDRN CCOc1ccc(-n2c(C)cc(C(=O)Cn3nc(C4CC4)ccc3=O)c2C)cc1 ZINC000810011812 888077236 /nfs/dbraw/zinc/07/72/36/888077236.db2.gz PAVWDMSGIQUYBO-UHFFFAOYSA-N 0 0 391.471 3.810 20 10 GHCDRN CN(C)c1nc(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)cs1 ZINC000747588251 888100242 /nfs/dbraw/zinc/10/02/42/888100242.db2.gz DFKAOHHWPDIEBR-UHFFFAOYSA-N 0 0 388.537 3.959 20 10 GHCDRN Cc1cnn([C@H]2CCN(CC(=O)c3cc(C)n(-c4cccc(F)c4)c3C)C2)c1 ZINC000810124887 888186707 /nfs/dbraw/zinc/18/67/07/888186707.db2.gz YPCKADSLAHWTDB-FQEVSTJZSA-N 0 0 380.467 3.868 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2COc3ccc(Br)cc32)c1 ZINC000120465728 888274468 /nfs/dbraw/zinc/27/44/68/888274468.db2.gz OQIWINLRNJDOQR-MEBBXXQBSA-N 0 0 392.249 3.517 20 10 GHCDRN c1nc2n(n1)[C@H](CSc1ncc(-c3ccccc3)n1C[C@@H]1CCCO1)CC2 ZINC000865349148 888310062 /nfs/dbraw/zinc/31/00/62/888310062.db2.gz BPSGCQWKBNLHOW-IRXDYDNUSA-N 0 0 381.505 3.600 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCc2cc(=O)[nH]c3ccccc23)cc1F ZINC000120552619 888334194 /nfs/dbraw/zinc/33/41/94/888334194.db2.gz YWYXJRGJACZHEF-UHFFFAOYSA-N 0 0 396.466 3.513 20 10 GHCDRN CNC(=O)COc1ccc(N[C@@H](C)c2cc(Br)ccc2O)c(C)c1 ZINC000794838372 888360065 /nfs/dbraw/zinc/36/00/65/888360065.db2.gz BAJKEGGGYXWDBF-LBPRGKRZSA-N 0 0 393.281 3.761 20 10 GHCDRN CCn1cnc2c1nc(Cl)nc2N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000865469239 888369543 /nfs/dbraw/zinc/36/95/43/888369543.db2.gz LSNILEAWYBLDLZ-CYBMUJFWSA-N 0 0 386.887 3.509 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccc(F)c(C(=O)OC)c2F)cc1 ZINC000810334405 888407038 /nfs/dbraw/zinc/40/70/38/888407038.db2.gz DXDACKMIVSWVPW-UHFFFAOYSA-N 0 0 391.418 3.919 20 10 GHCDRN O=C(Cc1cccc(Cl)c1F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000810369922 888465834 /nfs/dbraw/zinc/46/58/34/888465834.db2.gz 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/nfs/dbraw/zinc/70/19/97/888701997.db2.gz FZBXRPSJDXGHKQ-UHFFFAOYSA-N 0 0 391.393 3.779 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc(CSCCO)ccn2)cc1 ZINC000747626198 888827749 /nfs/dbraw/zinc/82/77/49/888827749.db2.gz YHQOCJSPHIGRDT-UHFFFAOYSA-N 0 0 381.501 3.967 20 10 GHCDRN CCOC(COCCNC(=O)c1cc(C)n(-c2ccccc2C)c1C)OCC ZINC000763362535 888827808 /nfs/dbraw/zinc/82/78/08/888827808.db2.gz OXZWTZCWGDVVSS-UHFFFAOYSA-N 0 0 388.508 3.548 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(F)cc2nc[nH]c21 ZINC000121006818 888830716 /nfs/dbraw/zinc/83/07/16/888830716.db2.gz XOFCFDLMLDJLQC-UHFFFAOYSA-N 0 0 392.228 3.832 20 10 GHCDRN Cc1cccc(OCCCNC(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000916224310 888850595 /nfs/dbraw/zinc/85/05/95/888850595.db2.gz PCETYKPNHYWPAV-UHFFFAOYSA-N 0 0 399.560 3.817 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2(c3ccccc3Cl)CCOCC2)c1 ZINC000153925551 888878875 /nfs/dbraw/zinc/87/88/75/888878875.db2.gz HJRJKTYUCIADHV-CQSZACIVSA-N 0 0 389.879 3.980 20 10 GHCDRN C[C@@H]([NH2+]CCC1(O)CCN(c2ccccc2)CC1)c1cc(F)cc(F)c1[O-] ZINC000866443104 888880210 /nfs/dbraw/zinc/88/02/10/888880210.db2.gz IDTFIOGMNLSFHW-OAHLLOKOSA-N 0 0 376.447 3.743 20 10 GHCDRN Cc1nc(-c2ccc(C(=O)N(Cc3ccco3)Cc3ccccc3O)cc2)n[nH]1 ZINC000153942901 888919492 /nfs/dbraw/zinc/91/94/92/888919492.db2.gz XHBHZVSLSLCIBX-UHFFFAOYSA-N 0 0 388.427 3.921 20 10 GHCDRN C[C@@H](NC(=O)NCC1(c2cccc(F)c2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000153950369 888935224 /nfs/dbraw/zinc/93/52/24/888935224.db2.gz AETHCFOVKFTQNY-QGZVFWFLSA-N 0 0 397.494 3.754 20 10 GHCDRN C[C@@H](NC(=O)NCCc1cc2ccccc2o1)c1ccc(N2CCOCC2)cc1 ZINC000153949091 888935324 /nfs/dbraw/zinc/93/53/24/888935324.db2.gz SOYWMTJXFMOKFM-QGZVFWFLSA-N 0 0 393.487 3.872 20 10 GHCDRN C[C@H]([NH2+]Cc1nn(C)cc1C(F)F)c1cc(Br)c(F)cc1[O-] ZINC000866564924 888939912 /nfs/dbraw/zinc/93/99/12/888939912.db2.gz FQORUQCSTFNEDH-ZETCQYMHSA-N 0 0 378.192 3.816 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)c2noc(-c3ccccc3)n2)c1 ZINC000121240307 889040737 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CN(Cc1nc2c(s1)CCCC2)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093336043 912203922 /nfs/dbraw/zinc/20/39/22/912203922.db2.gz RBBYVKCTPYMHSN-UHFFFAOYSA-N 0 0 375.513 3.630 20 10 GHCDRN CCc1nnc(CNC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)s1 ZINC000291104964 914979868 /nfs/dbraw/zinc/97/98/68/914979868.db2.gz IGPRSVDCKKCDHM-UHFFFAOYSA-N 0 0 399.520 3.672 20 10 GHCDRN COCc1nc(C(=O)OCC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)co1 ZINC000775078242 914982119 /nfs/dbraw/zinc/98/21/19/914982119.db2.gz VUKSWFYXXSLLTJ-UHFFFAOYSA-N 0 0 396.443 3.885 20 10 GHCDRN COc1cccc(CCNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)n1 ZINC001187151161 915063933 /nfs/dbraw/zinc/06/39/33/915063933.db2.gz IXTIOKDNUHPSAH-UHFFFAOYSA-N 0 0 377.400 3.884 20 10 GHCDRN CCc1ccc([C@H]2COCCN2C(=O)NCc2ccc3c(c2)CCCN3C)o1 ZINC000303707660 915068192 /nfs/dbraw/zinc/06/81/92/915068192.db2.gz CAVGCVHNYYWCRT-HXUWFJFHSA-N 0 0 383.492 3.508 20 10 GHCDRN CC(C)(C)OC(=O)NC12CCC(C(=O)N3CCc4cccc(O)c4C3)(CC1)C2 ZINC001187437541 915249279 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/nfs/dbraw/zinc/75/98/78/1021759878.db2.gz VIGPVIXETUCCFQ-OAQYLSRUSA-N 0 0 399.878 3.795 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(OC(C)C)c2)cc1 ZINC000835062664 1021839120 /nfs/dbraw/zinc/83/91/20/1021839120.db2.gz VTOAVZYEMCAWEK-UHFFFAOYSA-N 0 0 397.519 3.917 20 10 GHCDRN c1ccc2c(CN3CCN(c4ccc(OCc5cccnc5)cc4)CC3)n[nH]c2c1 ZINC001137353012 1021932907 /nfs/dbraw/zinc/93/29/07/1021932907.db2.gz HGEGGYFTUQWHGJ-UHFFFAOYSA-N 0 0 399.498 3.859 20 10 GHCDRN CN(C)c1ccc(/C=C/CN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1 ZINC001204657167 1033016783 /nfs/dbraw/zinc/01/67/83/1033016783.db2.gz ANUGSVCOZRLJSV-ONEGZZNKSA-N 0 0 397.950 3.806 20 10 GHCDRN COc1ccc(N2CCN(Cc3cccc(O)c3Br)CC2)c(C)c1 ZINC001140555280 1021958629 /nfs/dbraw/zinc/95/86/29/1021958629.db2.gz BBFMZDGNTAEEGZ-UHFFFAOYSA-N 0 0 391.309 3.794 20 10 GHCDRN Cc1cccc(N2CCC[C@]3(CN(Cc4c([O-])cc(F)cc4F)CCO3)C2)c1 ZINC001140580675 1022000418 /nfs/dbraw/zinc/00/04/18/1022000418.db2.gz IPOOEEGAMMVWPI-QFIPXVFZSA-N 0 0 388.458 3.850 20 10 GHCDRN CCOC(=O)[C@H]1CC[N@H+](Cc2c([O-])cc(F)cc2F)C[C@H]1c1ccccc1 ZINC001140584218 1022007326 /nfs/dbraw/zinc/00/73/26/1022007326.db2.gz JIFGHTYWXBMWTP-IRXDYDNUSA-N 0 0 375.415 3.839 20 10 GHCDRN Cc1nc(COC[C@H]2CN(Cc3cc(C)ccc3O)Cc3ncn(C)c32)cs1 ZINC001140620550 1022092225 /nfs/dbraw/zinc/09/22/25/1022092225.db2.gz SBLKMRSATUNOSS-QGZVFWFLSA-N 0 0 398.532 3.515 20 10 GHCDRN Fc1cc(N2CCOCC2)ccc1CN(Cc1cccnc1)Cc1cccnc1 ZINC001140661423 1022196393 /nfs/dbraw/zinc/19/63/93/1022196393.db2.gz DRODMKDFFXDPHE-UHFFFAOYSA-N 0 0 392.478 3.655 20 10 GHCDRN O=C(c1ccccc1)C1CCN(Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140662591 1022202982 /nfs/dbraw/zinc/20/29/82/1022202982.db2.gz ZSWDVEMGQFHNDM-UHFFFAOYSA-N 0 0 382.479 3.757 20 10 GHCDRN C[C@@H]([NH2+]Cc1cccc(Br)c1[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000725845810 1022387594 /nfs/dbraw/zinc/38/75/94/1022387594.db2.gz MUKHMFNMVRLDMJ-LLVKDONJSA-N 0 0 375.266 3.890 20 10 GHCDRN C[C@H]([NH2+]Cc1cccc(Br)c1[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000725845811 1022388399 /nfs/dbraw/zinc/38/83/99/1022388399.db2.gz MUKHMFNMVRLDMJ-NSHDSACASA-N 0 0 375.266 3.890 20 10 GHCDRN Cc1cc(C(=O)COC(=O)C(C)(C)O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000725934135 1022392779 /nfs/dbraw/zinc/39/27/79/1022392779.db2.gz MLXOXVRDBOCNPI-UHFFFAOYSA-N 0 0 383.366 3.610 20 10 GHCDRN CCOc1ccc(N2CCN(Cc3cc(Br)ccn3)CC2)cc1 ZINC001140767302 1022474053 /nfs/dbraw/zinc/47/40/53/1022474053.db2.gz JLNQGAPGWLUWRK-UHFFFAOYSA-N 0 0 376.298 3.565 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3cc(Cl)c(C)cc3[N+](=O)[O-])CC2)cc1 ZINC000836206630 1022731085 /nfs/dbraw/zinc/73/10/85/1022731085.db2.gz JIVCYSUZOQOWBM-UHFFFAOYSA-N 0 0 389.839 3.528 20 10 GHCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1=NO[C@H](c2ccccc2)C1 ZINC000754544244 1022762169 /nfs/dbraw/zinc/76/21/69/1022762169.db2.gz QCHDAWZBNBKBAT-NRFANRHFSA-N 0 0 396.402 3.918 20 10 GHCDRN C[C@H](NC(=O)N1CCCc2ccccc2CC1)c1ccc(N2CCOCC2)cc1 ZINC000836255324 1022779486 /nfs/dbraw/zinc/77/94/86/1022779486.db2.gz HFNKZKZTMFAPIA-IBGZPJMESA-N 0 0 393.531 3.785 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCOC3(CCC3)C2)cc1F ZINC000836290899 1022830148 /nfs/dbraw/zinc/83/01/48/1022830148.db2.gz JVUICGOUPGMNKW-QGZVFWFLSA-N 0 0 377.504 3.820 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N(Cc2cnn(C)c2)CC(C)C)cc1F ZINC000836290673 1022830573 /nfs/dbraw/zinc/83/05/73/1022830573.db2.gz FWUXNRFFWWWGEH-UHFFFAOYSA-N 0 0 389.519 3.773 20 10 GHCDRN Cc1cc(C(=O)CS[C@@H]2CCO[C@H]2C)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000754727069 1022861473 /nfs/dbraw/zinc/86/14/73/1022861473.db2.gz HVCLKNVXZJBYIK-YCRPNKLZSA-N 0 0 387.501 3.959 20 10 GHCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)c2nccc(C(F)(F)F)n2)cc1 ZINC000754783403 1022892920 /nfs/dbraw/zinc/89/29/20/1022892920.db2.gz BGTFMKQUVJFDPY-INIZCTEOSA-N 0 0 380.414 3.747 20 10 GHCDRN CN(C)c1ccc(CN2CCc3c(c(COCC4CC4)nn3C)C2)c(Cl)c1 ZINC001140923876 1022900197 /nfs/dbraw/zinc/90/01/97/1022900197.db2.gz HCZNBPPDZQGTID-UHFFFAOYSA-N 0 0 388.943 3.624 20 10 GHCDRN C[C@H](NC(=O)NCCc1cc(C(F)(F)F)ccn1)c1ccc(N(C)C)cc1 ZINC000836406770 1022950603 /nfs/dbraw/zinc/95/06/03/1022950603.db2.gz VHLUHDYQUOATLZ-ZDUSSCGKSA-N 0 0 380.414 3.769 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)Cc3c(F)cccc3F)cc2F)C[C@@H](C)O1 ZINC000755201879 1023122745 /nfs/dbraw/zinc/12/27/45/1023122745.db2.gz ZIHKEFNDOHHJMF-ZIAGYGMSSA-N 0 0 392.421 3.576 20 10 GHCDRN CC[C@@H](C)c1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 ZINC000755213207 1023130737 /nfs/dbraw/zinc/13/07/37/1023130737.db2.gz STTWPPBPSBTGAZ-DYESRHJHSA-N 0 0 393.531 3.832 20 10 GHCDRN C[C@]1(CCNC(=O)NCc2cc(Br)ccc2O)CC1(Cl)Cl ZINC000836624250 1023183427 /nfs/dbraw/zinc/18/34/27/1023183427.db2.gz ORQGEFFXPJMIQS-ZDUSSCGKSA-N 0 0 396.112 3.928 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N[C@@H](c3ccccc3)C(F)F)CC2)cc1 ZINC000836670832 1023234433 /nfs/dbraw/zinc/23/44/33/1023234433.db2.gz SXXPHJIYOKQSNK-IBGZPJMESA-N 0 0 389.446 3.970 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)c1 ZINC000836686636 1023255043 /nfs/dbraw/zinc/25/50/43/1023255043.db2.gz BQUDNFKMOACLIM-PBFPGSCMSA-N 0 0 376.478 3.743 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc2c(c1)CCCC2 ZINC000836716173 1023294847 /nfs/dbraw/zinc/29/48/47/1023294847.db2.gz ODUIUWPJTOLFFN-UHFFFAOYSA-N 0 0 397.494 3.987 20 10 GHCDRN CCN1C(=O)/C(=C\c2cn(-c3ccc(Cl)cc3Cl)nn2)SC1=S ZINC000755569527 1023297941 /nfs/dbraw/zinc/29/79/41/1023297941.db2.gz IJLVTPUISZLJLD-WUXMJOGZSA-N 0 0 385.301 3.795 20 10 GHCDRN COc1cc(O)c(CN2CCCC[C@H]2C(=O)OCc2ccccc2)c(OC)c1 ZINC001141031759 1023298457 /nfs/dbraw/zinc/29/84/57/1023298457.db2.gz KAYYNYPHVRECRO-IBGZPJMESA-N 0 0 385.460 3.507 20 10 GHCDRN C[C@@H]1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCS1 ZINC000755674267 1023332463 /nfs/dbraw/zinc/33/24/63/1023332463.db2.gz NJALVIMGPYUKTF-CQSZACIVSA-N 0 0 399.507 3.794 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccnc(OCC(F)(F)F)n1 ZINC000836771720 1023355364 /nfs/dbraw/zinc/35/53/64/1023355364.db2.gz QVELICIPHJKGHC-UHFFFAOYSA-N 0 0 384.358 3.567 20 10 GHCDRN Clc1ccc(-n2cc(CNCc3ccc4c(c3)CCO4)nn2)c(Cl)c1 ZINC000756024930 1023482872 /nfs/dbraw/zinc/48/28/72/1023482872.db2.gz OWRRSFUUMDULHH-UHFFFAOYSA-N 0 0 375.259 3.799 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(OC(F)F)c(OC)c2)c1 ZINC000756359367 1023604843 /nfs/dbraw/zinc/60/48/43/1023604843.db2.gz DHZFBDACVNYFFT-NSHDSACASA-N 0 0 381.375 3.640 20 10 GHCDRN C[C@H]([NH2+]CCc1nnc2ccccn21)c1cc(Br)cc(Cl)c1[O-] ZINC000756360185 1023605464 /nfs/dbraw/zinc/60/54/64/1023605464.db2.gz GDKZEJLZVDWKOX-JTQLQIEISA-N 0 0 395.688 3.744 20 10 GHCDRN Cc1cccc([C@@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])N2CCOCC2)c1 ZINC000756408435 1023632442 /nfs/dbraw/zinc/63/24/42/1023632442.db2.gz MPAWUADESARYTB-FOIQADDNSA-N 0 0 376.447 3.703 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(N3CCCCC3=O)cc2)c1 ZINC000756450209 1023656719 /nfs/dbraw/zinc/65/67/19/1023656719.db2.gz RBPGGTXUGBPWHR-OAHLLOKOSA-N 0 0 382.460 3.547 20 10 GHCDRN C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1cc(Br)c(F)cc1[O-] ZINC000756456683 1023661665 /nfs/dbraw/zinc/66/16/65/1023661665.db2.gz IETFNVDFXHUGIL-TZMCWYRMSA-N 0 0 382.273 3.796 20 10 GHCDRN CCCCNC(=O)c1ccc(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])cc1 ZINC000756477203 1023675655 /nfs/dbraw/zinc/67/56/55/1023675655.db2.gz XYEQCROOAAJOJG-OAHLLOKOSA-N 0 0 384.476 3.560 20 10 GHCDRN CC(=O)N1CCC(C[NH2+][C@@H](C)c2cc(Br)cc(Cl)c2[O-])CC1 ZINC000756544733 1023707657 /nfs/dbraw/zinc/70/76/57/1023707657.db2.gz VIHYWHNQGLSWGT-JTQLQIEISA-N 0 0 389.721 3.717 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000756563806 1023714419 /nfs/dbraw/zinc/71/44/19/1023714419.db2.gz NGMWRGCHJMLJEC-QGHHPUGFSA-N 0 0 384.259 3.870 20 10 GHCDRN COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])c1 ZINC000756562747 1023714840 /nfs/dbraw/zinc/71/48/40/1023714840.db2.gz JQJYIKIXKCOLPN-BTDLBPIBSA-N 0 0 384.245 3.687 20 10 GHCDRN C[C@@H]([NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756563826 1023714857 /nfs/dbraw/zinc/71/48/57/1023714857.db2.gz NPIUZSYBROBXBH-ZIAGYGMSSA-N 0 0 391.418 3.894 20 10 GHCDRN C[C@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756596354 1023727352 /nfs/dbraw/zinc/72/73/52/1023727352.db2.gz ZMDFEDBRZSLSSZ-HNNXBMFYSA-N 0 0 383.448 3.503 20 10 GHCDRN C[C@@H]([NH2+]CCCOCC1CCOCC1)c1cc(Br)c(F)cc1[O-] ZINC000756602206 1023731586 /nfs/dbraw/zinc/73/15/86/1023731586.db2.gz DBOSMCWSRPJESR-GFCCVEGCSA-N 0 0 390.293 3.778 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](Cc2nccn2C)c2ccccc2)c1 ZINC000756622833 1023741547 /nfs/dbraw/zinc/74/15/47/1023741547.db2.gz ZJMJVBAZFPSVOY-KXBFYZLASA-N 0 0 379.460 3.547 20 10 GHCDRN C[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756648897 1023753793 /nfs/dbraw/zinc/75/37/93/1023753793.db2.gz ALQNOEIXBTWGHZ-ZYHUDNBSSA-N 0 0 378.694 3.654 20 10 GHCDRN CN(CC(=O)N[C@@H](c1cccs1)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000756654544 1023756388 /nfs/dbraw/zinc/75/63/88/1023756388.db2.gz WHUIQPHZDXOBFN-OAQYLSRUSA-N 0 0 380.469 3.819 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1cc(Br)c(F)cc1[O-] ZINC000756659938 1023760398 /nfs/dbraw/zinc/76/03/98/1023760398.db2.gz HTIVJJLJHYQODH-MEDUHNTESA-N 0 0 393.256 3.750 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000756664227 1023762106 /nfs/dbraw/zinc/76/21/06/1023762106.db2.gz MLNUKQAXVSFLEE-LBPRGKRZSA-N 0 0 391.851 3.844 20 10 GHCDRN Cc1cc(CC(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)[nH]n1 ZINC000756699263 1023779461 /nfs/dbraw/zinc/77/94/61/1023779461.db2.gz FHKHWYDNSWHEMZ-UHFFFAOYSA-N 0 0 383.423 3.542 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)c1 ZINC000756705528 1023782217 /nfs/dbraw/zinc/78/22/17/1023782217.db2.gz KOXIEGKWJSKKKH-APPDUMDISA-N 0 0 383.366 3.582 20 10 GHCDRN COc1ccccc1[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756713098 1023784817 /nfs/dbraw/zinc/78/48/17/1023784817.db2.gz TYSLKGSDODDXLD-BMIGLBTASA-N 0 0 384.245 3.687 20 10 GHCDRN C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1ccc([S@](C)=O)cc1 ZINC000756724882 1023790178 /nfs/dbraw/zinc/79/01/78/1023790178.db2.gz OAEBKTPOCHOIAD-PWFNWSNSSA-N 0 0 386.517 3.569 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)Cc2cc(C)nn2-c2ccccc2)c1 ZINC000756758164 1023802525 /nfs/dbraw/zinc/80/25/25/1023802525.db2.gz FXGBLSYRSNRPPF-WBVHZDCISA-N 0 0 393.487 3.955 20 10 GHCDRN C[C@@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1cc(Br)c(F)cc1[O-] ZINC000756768939 1023807814 /nfs/dbraw/zinc/80/78/14/1023807814.db2.gz BGYVEWKUSMRFSI-VXGBXAGGSA-N 0 0 380.261 3.618 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)c1 ZINC000756784484 1023813957 /nfs/dbraw/zinc/81/39/57/1023813957.db2.gz NSOFBSWJSLPSTK-KBPBESRZSA-N 0 0 381.432 3.683 20 10 GHCDRN C[C@@H]1C[C@@H](Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)c2c1c(F)ccc2O ZINC000756802180 1023819582 /nfs/dbraw/zinc/81/95/82/1023819582.db2.gz FURUKCORPZRTJP-IAQYHMDHSA-N 0 0 389.858 3.781 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C(=O)OC(C)(C)C)C2CCCC2)c1 ZINC000830541036 1023976914 /nfs/dbraw/zinc/97/69/14/1023976914.db2.gz RCSRLJXOOKXONB-UGSOOPFHSA-N 0 0 377.481 3.726 20 10 GHCDRN Cc1ccc(S(=O)(=O)N(c2ccc(N)cc2)c2ccn3ccnc3c2)cc1 ZINC001204977358 1033191887 /nfs/dbraw/zinc/19/18/87/1033191887.db2.gz FQIIHOYDPKOHAM-UHFFFAOYSA-N 0 0 378.457 3.752 20 10 GHCDRN COc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c2ccccc2n1 ZINC000830900399 1024230090 /nfs/dbraw/zinc/23/00/90/1024230090.db2.gz WZIBCWIUSCUUPO-QGZVFWFLSA-N 0 0 392.455 3.770 20 10 GHCDRN CN(C)c1ccc(CN(C)Cc2ccccc2I)cc1 ZINC001138213191 1024375573 /nfs/dbraw/zinc/37/55/73/1024375573.db2.gz UVJJKNRHOHPEJX-UHFFFAOYSA-N 0 0 380.273 3.989 20 10 GHCDRN CCc1noc(C)c1C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000837388795 1024410691 /nfs/dbraw/zinc/41/06/91/1024410691.db2.gz SHUSLVNRRBDUKC-UHFFFAOYSA-N 0 0 385.395 3.527 20 10 GHCDRN Cc1cc(C(=O)COC(=O)CC[C@H]2CCCO2)c(C)n1-c1ccc(Cl)cn1 ZINC000837422263 1024446220 /nfs/dbraw/zinc/44/62/20/1024446220.db2.gz SLWAQJHDHCGALS-MRXNPFEDSA-N 0 0 390.867 3.828 20 10 GHCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1[nH]ccc1C1CC1 ZINC000837441635 1024460736 /nfs/dbraw/zinc/46/07/36/1024460736.db2.gz XZTDDZJLKORSHC-AWEZNQCLSA-N 0 0 375.419 3.892 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)C3(CF)CCOCC3)cc2Cl)C1 ZINC000831275685 1024465382 /nfs/dbraw/zinc/46/53/82/1024465382.db2.gz CRGHUJDDDVNPSO-OAHLLOKOSA-N 0 0 382.907 3.959 20 10 GHCDRN COC(=O)[C@H]1[C@@H](c2ccccc2)OCCN1Cc1c(C)n(C)c2ccccc12 ZINC001138260414 1024491817 /nfs/dbraw/zinc/49/18/17/1024491817.db2.gz DXWBIEPMLMYEMK-FGZHOGPDSA-N 0 0 378.472 3.602 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2ncoc2C(C)C)c(C)n1-c1ccc(F)cn1 ZINC000837518435 1024522317 /nfs/dbraw/zinc/52/23/17/1024522317.db2.gz XRBVPCUBVSZVBT-UHFFFAOYSA-N 0 0 385.395 3.779 20 10 GHCDRN Cc1cc(C(=O)COC(=O)C2CCC(=O)CC2)c(C)n1-c1ccc(Cl)cn1 ZINC000837565406 1024554255 /nfs/dbraw/zinc/55/42/55/1024554255.db2.gz GIODQXYHGWLMPG-UHFFFAOYSA-N 0 0 388.851 3.628 20 10 GHCDRN CSCc1ccc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000837703268 1024646583 /nfs/dbraw/zinc/64/65/83/1024646583.db2.gz BYGNIIBZFLWOKZ-UHFFFAOYSA-N 0 0 392.471 3.594 20 10 GHCDRN O=C(C/C=C/c1ccc(F)cc1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837707474 1024650842 /nfs/dbraw/zinc/65/08/42/1024650842.db2.gz MZUQMVRDXVOVQS-OWOJBTEDSA-N 0 0 390.405 3.660 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@H]2C[C@@H]2C(F)F)c(C)n1-c1ccc(Cl)cn1 ZINC000837711188 1024655296 /nfs/dbraw/zinc/65/52/96/1024655296.db2.gz YSICEABUWSRDJM-KBPBESRZSA-N 0 0 382.794 3.770 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCc2noc(-c3cccc(F)c3)n2)cc1 ZINC000837724431 1024664728 /nfs/dbraw/zinc/66/47/28/1024664728.db2.gz GTOQEQWMZMBAED-UHFFFAOYSA-N 0 0 397.454 3.721 20 10 GHCDRN COc1ccc(N(CC(=O)Nc2nnc(-c3sccc3C)o2)CC2CC2)cc1 ZINC000831587713 1024665788 /nfs/dbraw/zinc/66/57/88/1024665788.db2.gz HXBZVJDDGJTBIK-UHFFFAOYSA-N 0 0 398.488 3.970 20 10 GHCDRN Oc1c(CN2Cc3cnn(-c4ccccc4)c3C2)cc2c3c1CCCN3CCC2 ZINC001138342297 1024704298 /nfs/dbraw/zinc/70/42/98/1024704298.db2.gz PMJQWLUYOJLIDI-UHFFFAOYSA-N 0 0 386.499 3.793 20 10 GHCDRN CN1CCCc2cc(CN3CCC[C@@H](c4cccc(S(C)(=O)=O)c4)C3)ccc21 ZINC001138359037 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CSc1cccc(NC(=O)C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1C ZINC000839633690 1026139593 /nfs/dbraw/zinc/13/95/93/1026139593.db2.gz LJRVRGHZNZHZPO-OAHLLOKOSA-N 0 0 399.560 3.777 20 10 GHCDRN CSCc1ccc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cc1 ZINC000839635203 1026140556 /nfs/dbraw/zinc/14/05/56/1026140556.db2.gz WXKLWNCYFWPBQY-INIZCTEOSA-N 0 0 399.560 3.610 20 10 GHCDRN Cc1nc([C@@H]2CCN(CC(=O)Nc3ccc(N=Nc4ccccc4)cc3)C2)n[nH]1 ZINC000839659575 1026178532 /nfs/dbraw/zinc/17/85/32/1026178532.db2.gz MIXGTLMLFJEARX-MRXNPFEDSA-N 0 0 389.463 3.957 20 10 GHCDRN COC(=O)c1ccnc(N[C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)c1[N+](=O)[O-] ZINC001163485920 1026210689 /nfs/dbraw/zinc/21/06/89/1026210689.db2.gz BCWNORRHDMCUOP-QGZVFWFLSA-N 0 0 385.420 3.834 20 10 GHCDRN Cc1ccc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)c(O)c1O ZINC001163608407 1026250006 /nfs/dbraw/zinc/25/00/06/1026250006.db2.gz WZKWQJFAMXWUOB-VHDGCEQUSA-N 0 0 377.481 3.529 20 10 GHCDRN CCOC(=O)c1sc(NC(=O)c2cc3cc(O)c(O)cc3s2)nc1C ZINC001163700086 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378.810 3.738 20 10 GHCDRN Cc1cc(C(=O)Cn2cnc3c(c2=O)CCCC3)c(C)n1-c1ccccc1C ZINC001165926242 1026872006 /nfs/dbraw/zinc/87/20/06/1026872006.db2.gz SIFYXTHRUCGXJE-UHFFFAOYSA-N 0 0 375.472 3.721 20 10 GHCDRN Cc1cc(C(=O)Cn2c(C)nn(C(C)(C)C)c2=O)c(C)n1-c1ccc(C)cc1 ZINC001165944225 1026877167 /nfs/dbraw/zinc/87/71/67/1026877167.db2.gz GVQOQYQFXZBYGY-UHFFFAOYSA-N 0 0 380.492 3.707 20 10 GHCDRN CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3c(O)cccc3Br)C[C@@H]21 ZINC001140100569 1026879095 /nfs/dbraw/zinc/87/90/95/1026879095.db2.gz UTWSXTQZSVYCSD-WFASDCNBSA-N 0 0 397.313 3.596 20 10 GHCDRN CCOC(=O)C(=Cc1cc(C)c(C)nc1NCc1ccccc1C(N)=O)N=[N+]=[N-] ZINC001166187991 1026937652 /nfs/dbraw/zinc/93/76/52/1026937652.db2.gz DWJDJYDXEWHORX-YVLHZVERSA-N 0 0 394.435 3.624 20 10 GHCDRN COC(=O)c1cnc(S[C@@H](C)C(=O)Nc2nc3ccccc3s2)s1 ZINC001166227713 1026947984 /nfs/dbraw/zinc/94/79/84/1026947984.db2.gz RYYMYIPNBHLVLF-QMMMGPOBSA-N 0 0 379.488 3.659 20 10 GHCDRN Cc1cc(C(=O)CSc2ncc(CCO)cn2)c(C)n1-c1cccc(F)c1 ZINC001166696961 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GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H](CCCO)c1ccccc1 ZINC000840305956 1027429888 /nfs/dbraw/zinc/42/98/88/1027429888.db2.gz URSSIIJUCIBXIZ-GCJKJVERSA-N 0 0 383.536 3.805 20 10 GHCDRN O=C1OC2(CC[NH+](Cc3cc(Cl)cc(Cl)c3[O-])CC2)c2cccnc21 ZINC001203582009 1027450637 /nfs/dbraw/zinc/45/06/37/1027450637.db2.gz MHZGHQKGFKGTOX-UHFFFAOYSA-N 0 0 379.243 3.756 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@H](C[C@@H](C)O)c1ccccc1 ZINC000840324913 1027454189 /nfs/dbraw/zinc/45/41/89/1027454189.db2.gz IPZCTOAKNSZLPE-JQVVWYNYSA-N 0 0 397.563 3.846 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1CN1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001210357160 1027465400 /nfs/dbraw/zinc/46/54/00/1027465400.db2.gz RTWMCQJNXRGGND-MRXNPFEDSA-N 0 0 395.728 3.825 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000840349659 1027471991 /nfs/dbraw/zinc/47/19/91/1027471991.db2.gz HSCWQYDCJLBEMK-QGZVFWFLSA-N 0 0 383.536 3.719 20 10 GHCDRN COc1ccc(CN2CCn3c(COCC4CCCC4)cnc3[C@H]2C)c(O)c1 ZINC001203623094 1027486378 /nfs/dbraw/zinc/48/63/78/1027486378.db2.gz HYIAYIZTXNIWSA-MRXNPFEDSA-N 0 0 385.508 3.881 20 10 GHCDRN CCCc1cc(=O)n2nc(N[C@H](C)Cc3ccc(N(C)C)cc3C)sc2n1 ZINC000840383970 1027501678 /nfs/dbraw/zinc/50/16/78/1027501678.db2.gz CFBCVQJZGJMEHH-CQSZACIVSA-N 0 0 385.537 3.521 20 10 GHCDRN COCCCn1cc(Nc2ccc(NC(=O)Nc3ccc(N)cc3)cc2)cn1 ZINC001210427987 1027506396 /nfs/dbraw/zinc/50/63/96/1027506396.db2.gz VHFKAGVTSIDUKK-UHFFFAOYSA-N 0 0 380.452 3.889 20 10 GHCDRN Oc1ccc(Cl)cc1CN1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@@H]21 ZINC001203658802 1027514649 /nfs/dbraw/zinc/51/46/49/1027514649.db2.gz PBHBDZPRVDHKBV-LKUPVBHCSA-N 0 0 388.895 3.637 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000840481901 1027565114 /nfs/dbraw/zinc/56/51/14/1027565114.db2.gz PRCREKPVCLHZAU-IOMROCGXSA-N 0 0 399.535 3.883 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC(OC(C)(C)C)CC1 ZINC000840482000 1027566312 /nfs/dbraw/zinc/56/63/12/1027566312.db2.gz QXYRDGBGGNQRGE-QGZVFWFLSA-N 0 0 375.557 3.981 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC=C(c2ccncc2)C1 ZINC000840482914 1027566349 /nfs/dbraw/zinc/56/63/49/1027566349.db2.gz GOJCIECJUFANIX-GOSISDBHSA-N 0 0 378.520 3.886 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000840485262 1027569042 /nfs/dbraw/zinc/56/90/42/1027569042.db2.gz RMUHOXDOOITHTM-QIJUGHKUSA-N 0 0 399.579 3.983 20 10 GHCDRN O=C(c1ccccc1)c1ccccc1Nc1ccc(C(=O)N2CCOCC2)nc1 ZINC001210656597 1027589456 /nfs/dbraw/zinc/58/94/56/1027589456.db2.gz GOQZLDDTRRUTEE-UHFFFAOYSA-N 0 0 387.439 3.529 20 10 GHCDRN COc1c(F)cc(F)cc1Nc1c(CC(N)=O)cccc1C(=O)c1ccccc1 ZINC001210869444 1027685917 /nfs/dbraw/zinc/68/59/17/1027685917.db2.gz JXEHUDWPNRKNHX-UHFFFAOYSA-N 0 0 396.393 3.976 20 10 GHCDRN CCN(CC)c1ccc(CN2CCO[C@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)cc1 ZINC001203939828 1027733123 /nfs/dbraw/zinc/73/31/23/1027733123.db2.gz WKKKNSBBSBHMLJ-FDFHNCONSA-N 0 0 399.510 3.878 20 10 GHCDRN CC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC001461280209 1069478781 /nfs/dbraw/zinc/47/87/81/1069478781.db2.gz IEKQRMNEMJPHPY-WOJBJXKFSA-N 0 0 392.902 3.954 20 10 GHCDRN Nc1ccc(NC(=O)Nc2ccc(NC(=O)Cc3ccc(F)cn3)cc2)cc1 ZINC001142021901 1027903300 /nfs/dbraw/zinc/90/33/00/1027903300.db2.gz FPLYMQNYWLPGHX-UHFFFAOYSA-N 0 0 379.395 3.628 20 10 GHCDRN Cc1cc(O)c(CNc2ccc(N3CCNC(=O)C3)c(Cl)c2)c(Cl)c1 ZINC000840882419 1027920000 /nfs/dbraw/zinc/92/00/00/1027920000.db2.gz PEFZIUBOPVOOBC-UHFFFAOYSA-N 0 0 380.275 3.556 20 10 GHCDRN CC[C@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000840888947 1027926156 /nfs/dbraw/zinc/92/61/56/1027926156.db2.gz CDPFGWXIGUYWKG-AWEZNQCLSA-N 0 0 380.337 3.955 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNc1cccc(C(=O)N2CCC[C@H](CO)C2)c1 ZINC000840925427 1027960635 /nfs/dbraw/zinc/96/06/35/1027960635.db2.gz MIYDYQSXBSGXJY-SFHVURJKSA-N 0 0 381.520 3.518 20 10 GHCDRN Cc1ccc(O)c(CNS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)c1 ZINC001213165249 1028023715 /nfs/dbraw/zinc/02/37/15/1028023715.db2.gz QKFRSYIQGGDOJE-UHFFFAOYSA-N 0 0 379.787 3.851 20 10 GHCDRN O=C([O-])c1ccccc1C1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000840998200 1028031755 /nfs/dbraw/zinc/03/17/55/1028031755.db2.gz VPUCKZPIFDQNJX-UHFFFAOYSA-N 0 0 398.478 3.740 20 10 GHCDRN CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(N)cc1)c1cccc(C(F)(F)F)c1 ZINC000841030621 1028055773 /nfs/dbraw/zinc/05/57/73/1028055773.db2.gz UBPRDKYEXGNDFN-MRXNPFEDSA-N 0 0 379.382 3.740 20 10 GHCDRN Cc1cc(Nc2ccc(C(=O)Oc3ccc(N)cc3)cc2)cc2c1OCC(=O)N2 ZINC001213294168 1028092049 /nfs/dbraw/zinc/09/20/49/1028092049.db2.gz YKUJXFJDWOEXTN-UHFFFAOYSA-N 0 0 389.411 3.871 20 10 GHCDRN Nc1ccc(NC(=O)C(=O)NCC2(c3ccccc3Cl)CCCCC2)cc1 ZINC000841078890 1028097393 /nfs/dbraw/zinc/09/73/93/1028097393.db2.gz ISQJNZQMNFPPKY-UHFFFAOYSA-N 0 0 385.895 3.879 20 10 GHCDRN C[C@@H](NC(=O)C(=O)Nc1ccc(N)cc1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000841077650 1028097956 /nfs/dbraw/zinc/09/79/56/1028097956.db2.gz AGVYAWIDXZFOMA-VXGBXAGGSA-N 0 0 379.382 3.535 20 10 GHCDRN CN1CCN(c2ccc(CNc3ccccc3Br)cc2F)CC1 ZINC001461325821 1069501888 /nfs/dbraw/zinc/50/18/88/1069501888.db2.gz BEEXDSOOBDKVHK-UHFFFAOYSA-N 0 0 378.289 3.952 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)cc1 ZINC001461334805 1069505315 /nfs/dbraw/zinc/50/53/15/1069505315.db2.gz FFNAPVAULMTOTK-IAGOWNOFSA-N 0 0 392.421 3.811 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)cc1 ZINC001461334811 1069505414 /nfs/dbraw/zinc/50/54/14/1069505414.db2.gz FFNAPVAULMTOTK-SJORKVTESA-N 0 0 392.421 3.811 20 10 GHCDRN CCCN(C(=O)C(=O)Nc1ccc(N)cc1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000841109012 1028147390 /nfs/dbraw/zinc/14/73/90/1028147390.db2.gz IMKSBPRSFKUQON-OALUTQOASA-N 0 0 387.524 3.574 20 10 GHCDRN Nc1ccc(NC(=O)NC2(c3noc([C@H]4CCCO4)n3)CCCCCC2)cc1 ZINC000841298499 1028392116 /nfs/dbraw/zinc/39/21/16/1028392116.db2.gz QHAQUWBWABGHHD-MRXNPFEDSA-N 0 0 385.468 3.875 20 10 GHCDRN Nc1ccc(NC(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cc1 ZINC000841300944 1028392985 /nfs/dbraw/zinc/39/29/85/1028392985.db2.gz XOWVSCJLAWQQRZ-CQSZACIVSA-N 0 0 380.370 3.568 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3cnn(-c4ncccn4)c3)n2)cc1 ZINC001214205301 1028595841 /nfs/dbraw/zinc/59/58/41/1028595841.db2.gz QLBCKGFQRAUZNJ-UHFFFAOYSA-N 0 0 383.415 3.787 20 10 GHCDRN Cc1ncccc1OC[C@H]1CCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841580082 1028743801 /nfs/dbraw/zinc/74/38/01/1028743801.db2.gz HMXUNDKOJPUDBU-OAQYLSRUSA-N 0 0 392.503 3.519 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC001214510447 1028767287 /nfs/dbraw/zinc/76/72/87/1028767287.db2.gz JCFZWTVDIHMHLK-UHFFFAOYSA-N 0 0 394.475 3.907 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1nnc(CC(C)C)s1 ZINC001214599701 1028812796 /nfs/dbraw/zinc/81/27/96/1028812796.db2.gz BELFFUZNJFWTRN-CQSZACIVSA-N 0 0 375.542 3.864 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1ccn(-c2ncccc2F)n1 ZINC000841677963 1028827788 /nfs/dbraw/zinc/82/77/88/1028827788.db2.gz YJVFHYPDVJIHJD-OAHLLOKOSA-N 0 0 396.470 3.534 20 10 GHCDRN COc1cc(CNC(=O)NCCc2ccc(N)cc2)ccc1OCCC(C)C ZINC000841682043 1028829928 /nfs/dbraw/zinc/82/99/28/1028829928.db2.gz BUAJBFZLQALUBF-UHFFFAOYSA-N 0 0 385.508 3.744 20 10 GHCDRN COc1cc([C@@H](C)NC(=O)NCCc2ccc(N)cc2)ccc1OCC(C)C ZINC000841706560 1028861751 /nfs/dbraw/zinc/86/17/51/1028861751.db2.gz HSDARZRNRNWPCK-MRXNPFEDSA-N 0 0 385.508 3.915 20 10 GHCDRN COc1cc(C[C@H](CO)C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cc(OC)c1 ZINC000841756366 1028914231 /nfs/dbraw/zinc/91/42/31/1028914231.db2.gz WWLUPYRQIKNVIW-ZFWWWQNUSA-N 0 0 379.884 3.565 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(N(C)C)c(C(F)(F)F)c1 ZINC000841765497 1028922371 /nfs/dbraw/zinc/92/23/71/1028922371.db2.gz AWOMEZCOCGAYSV-NSHDSACASA-N 0 0 397.397 3.935 20 10 GHCDRN Cc1c(NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)ccc(F)c1F ZINC000841791538 1028938125 /nfs/dbraw/zinc/93/81/25/1028938125.db2.gz ZHYPGGVUKBMXJW-UHFFFAOYSA-N 0 0 397.372 3.710 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3cnn(-c4cnccn4)c3)n2)cc1 ZINC001214854308 1028940150 /nfs/dbraw/zinc/94/01/50/1028940150.db2.gz XUSDGXXKPBQORY-UHFFFAOYSA-N 0 0 383.415 3.787 20 10 GHCDRN Nc1ccc(CCNC(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)cc1 ZINC000841892360 1028990669 /nfs/dbraw/zinc/99/06/69/1028990669.db2.gz XXRHBWHXZFKVEA-WMLDXEAASA-N 0 0 392.272 3.568 20 10 GHCDRN CC[C@H](COC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OC ZINC000842064772 1029050680 /nfs/dbraw/zinc/05/06/80/1029050680.db2.gz BGNJELSGKGTVLK-XTCQQWIJSA-N 0 0 399.559 3.698 20 10 GHCDRN Oc1cccc(-c2nc(-c3ccc(I)cc3F)no2)c1O ZINC001215145729 1029059679 /nfs/dbraw/zinc/05/96/79/1029059679.db2.gz FXVWYJVDJJIJHV-UHFFFAOYSA-N 0 0 398.131 3.559 20 10 GHCDRN CC(C)S(=O)(=O)c1ccccc1NC(=O)NCc1cc(Cl)ccc1O ZINC001215182182 1029077090 /nfs/dbraw/zinc/07/70/90/1029077090.db2.gz BJKQASBKQDRGNK-UHFFFAOYSA-N 0 0 382.869 3.549 20 10 GHCDRN CCOC(=O)Cn1ccc2cc(NC(=O)N[C@@H](C)c3ccccc3O)ccc21 ZINC001215198024 1029085772 /nfs/dbraw/zinc/08/57/72/1029085772.db2.gz UAAVIHPHHHWSQY-AWEZNQCLSA-N 0 0 381.432 3.793 20 10 GHCDRN Cc1ccc(CC(C)(C)NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000842175074 1029123372 /nfs/dbraw/zinc/12/33/72/1029123372.db2.gz MHSALOAJMDYGHX-UHFFFAOYSA-N 0 0 381.520 3.652 20 10 GHCDRN CN(C)c1ccc(Br)cc1-c1noc(-c2ccc(O)c(O)c2)n1 ZINC001215304239 1029141100 /nfs/dbraw/zinc/14/11/00/1029141100.db2.gz HUQPRNFURFHMOJ-UHFFFAOYSA-N 0 0 376.210 3.643 20 10 GHCDRN Oc1cc(-c2nc(-c3ccc(Br)c(Cl)c3)no2)cc(O)c1O ZINC001215327538 1029155056 /nfs/dbraw/zinc/15/50/56/1029155056.db2.gz GRYUYZZXOVSNDC-UHFFFAOYSA-N 0 0 383.585 3.936 20 10 GHCDRN CSCC1CCC(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC1 ZINC000842253703 1029168494 /nfs/dbraw/zinc/16/84/94/1029168494.db2.gz XEYQLWKVESNDLH-UHFFFAOYSA-N 0 0 382.913 3.732 20 10 GHCDRN CS(=O)(=O)c1cc(Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccc1F ZINC001215355283 1029170473 /nfs/dbraw/zinc/17/04/73/1029170473.db2.gz MNMGBPCIFGOIIU-UHFFFAOYSA-N 0 0 395.411 3.748 20 10 GHCDRN NC(=O)Cc1cccc(C(=O)c2ccccc2)c1Nc1ccc(F)c2n[nH]cc21 ZINC001215379953 1029182158 /nfs/dbraw/zinc/18/21/58/1029182158.db2.gz DPJLAFOUOGBSJE-UHFFFAOYSA-N 0 0 388.402 3.704 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cc(-c4ccc(C)cc4)no3)C2)cc1 ZINC001461491707 1069575898 /nfs/dbraw/zinc/57/58/98/1069575898.db2.gz DHRPFQLYSHTMPA-QGZVFWFLSA-N 0 0 377.444 3.667 20 10 GHCDRN CC[C@@H](C[NH2+]Cc1cc(C)cc(Br)c1[O-])NC(=O)OC(C)(C)C ZINC001461518718 1069588833 /nfs/dbraw/zinc/58/88/33/1069588833.db2.gz FNNWWRQWRLYDNC-ZDUSSCGKSA-N 0 0 387.318 3.856 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3ccc(-n4cnnn4)cc3)n2)cc1 ZINC001215951368 1029468888 /nfs/dbraw/zinc/46/88/88/1029468888.db2.gz CEWMMEYWMQDVQY-UHFFFAOYSA-N 0 0 383.415 3.787 20 10 GHCDRN Cc1cc(Nc2c(CC(N)=O)cccc2C(=O)c2ccccc2)cc(C)c1CO ZINC001216121243 1029531697 /nfs/dbraw/zinc/53/16/97/1029531697.db2.gz KKBXVKQFPKDBGC-UHFFFAOYSA-N 0 0 388.467 3.798 20 10 GHCDRN CN(c1ccc(Cl)cc1C(F)(F)F)S(=O)(=O)CCc1ccc(N)cc1 ZINC001216134910 1029538198 /nfs/dbraw/zinc/53/81/98/1029538198.db2.gz FDTDJNHSWBHIIC-UHFFFAOYSA-N 0 0 392.830 3.950 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3c(C)onc3-c3cccnc3)C2)cc1 ZINC000842874751 1029650932 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0 0 396.491 3.873 20 10 GHCDRN CCC[C@H](C)N(C)c1nnc(C(C)C)n1Cc1ccc(N2CCOCC2)cc1 ZINC001306568877 1048743270 /nfs/dbraw/zinc/74/32/70/1048743270.db2.gz WDXJHXFAWCPFRB-SFHVURJKSA-N 0 0 385.556 3.911 20 10 GHCDRN CCC(CC)N1C[C@H](C(=O)NCc2cc(C)n(-c3ccccc3)c2C)CC1=O ZINC001287660243 1048866650 /nfs/dbraw/zinc/86/66/50/1048866650.db2.gz DFIKRGPECHQNIN-LJQANCHMSA-N 0 0 381.520 3.747 20 10 GHCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1cc(F)cc([N+](=O)[O-])c1 ZINC000751305871 1048904255 /nfs/dbraw/zinc/90/42/55/1048904255.db2.gz MGWTUWWOCKVNPN-UHFFFAOYSA-N 0 0 377.335 3.696 20 10 GHCDRN COc1ccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)cc1[N+](=O)[O-] ZINC000751305378 1048904411 /nfs/dbraw/zinc/90/44/11/1048904411.db2.gz DOYVOAXNPROPHT-UHFFFAOYSA-N 0 0 389.371 3.565 20 10 GHCDRN COC(=O)/C=C/c1ccc(N2CCC(N(C)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000731902296 1048929090 /nfs/dbraw/zinc/92/90/90/1048929090.db2.gz FEOUOGBPBHNKMD-PKNBQFBNSA-N 0 0 395.459 3.886 20 10 GHCDRN CC[C@@H](C)CN(C)c1cc([N+](=O)[O-])c(OC)c(Br)c1[N+](=O)[O-] ZINC000732049519 1048958127 /nfs/dbraw/zinc/95/81/27/1048958127.db2.gz PYOGGXJJYPKIEH-MRVPVSSYSA-N 0 0 376.207 3.756 20 10 GHCDRN CCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCCOCC1 ZINC001307014586 1049010977 /nfs/dbraw/zinc/01/09/77/1049010977.db2.gz MFDBGXRRCBJQIQ-UHFFFAOYSA-N 0 0 379.508 3.989 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2nc(-c3cnn(C)c3)oc2C)cc1 ZINC000752285714 1049161592 /nfs/dbraw/zinc/16/15/92/1049161592.db2.gz XKEFXNNLZYDTCZ-UHFFFAOYSA-N 0 0 381.480 3.502 20 10 GHCDRN CCOC(=O)[C@@H](CC)SCC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC001307311574 1049194555 /nfs/dbraw/zinc/19/45/55/1049194555.db2.gz YEXJDQNKVYUBTE-QGZVFWFLSA-N 0 0 378.469 3.886 20 10 GHCDRN COC(=O)c1cc(OCc2cccc(SC(=O)N(C)C)c2)ccc1N(C)C ZINC001307388429 1049238826 /nfs/dbraw/zinc/23/88/26/1049238826.db2.gz DJUCHDNTHYSYLO-UHFFFAOYSA-N 0 0 388.489 3.892 20 10 GHCDRN Cc1cc(C(=O)CS[C@@H]2CCCS(=O)(=O)C2)c(C)n1-c1ccccc1 ZINC001307408671 1049252256 /nfs/dbraw/zinc/25/22/56/1049252256.db2.gz BDHZZKNJSRMVGE-QGZVFWFLSA-N 0 0 377.531 3.587 20 10 GHCDRN COc1ccc(N(C)CC(=O)Nc2ccc(Br)c(C)c2)cc1F ZINC001307555581 1049396389 /nfs/dbraw/zinc/39/63/89/1049396389.db2.gz NPVGAGGTXRXQDQ-UHFFFAOYSA-N 0 0 381.245 3.980 20 10 GHCDRN Cc1ocnc1C(=O)Nc1c(-c2ccccn2)nc2ccc(Br)cn21 ZINC001289508040 1049519094 /nfs/dbraw/zinc/51/90/94/1049519094.db2.gz GEZWBZMQRJZFOE-UHFFFAOYSA-N 0 0 398.220 3.708 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734406867 1049706641 /nfs/dbraw/zinc/70/66/41/1049706641.db2.gz ZQAZATJPZONUKH-CYBMUJFWSA-N 0 0 391.855 3.706 20 10 GHCDRN CC1=CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(N(C)C)c(F)c2)CC1 ZINC001290260265 1049782243 /nfs/dbraw/zinc/78/22/43/1049782243.db2.gz IEHDCBDYTGSLMH-SFHVURJKSA-N 0 0 399.514 3.582 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc(=O)c2ccc(F)cc2o1 ZINC001290375163 1049820257 /nfs/dbraw/zinc/82/02/57/1049820257.db2.gz UNXLQAGTEHBLGV-UHFFFAOYSA-N 0 0 380.419 3.805 20 10 GHCDRN O=C(CN(CC(F)F)C1CCC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001308081610 1049827310 /nfs/dbraw/zinc/82/73/10/1049827310.db2.gz JGOVXZKKZPXIOG-UHFFFAOYSA-N 0 0 398.409 3.520 20 10 GHCDRN C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N(C)CC1CCC1 ZINC001308138088 1049878145 /nfs/dbraw/zinc/87/81/45/1049878145.db2.gz VIBCNBJSSZYBSD-AWEZNQCLSA-N 0 0 376.456 3.521 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCN1CCc2ccccc2C1 ZINC001290674753 1049899044 /nfs/dbraw/zinc/89/90/44/1049899044.db2.gz SWBXFGHNDUCDTK-UHFFFAOYSA-N 0 0 379.529 3.944 20 10 GHCDRN CCN(CC)c1ccc(CNCc2c(C(=O)OC(C)(C)C)cnn2C)cc1F ZINC001308259751 1049929415 /nfs/dbraw/zinc/92/94/15/1049929415.db2.gz CLLMOUAODXBXPD-UHFFFAOYSA-N 0 0 390.503 3.651 20 10 GHCDRN Cc1cc(C(=O)Nc2ccc(S(C)(=O)=O)nc2)c(C)n1-c1cc(C)cc(C)c1 ZINC001290885040 1049943704 /nfs/dbraw/zinc/94/37/04/1049943704.db2.gz SMTHPDWWAIADIA-UHFFFAOYSA-N 0 0 397.500 3.762 20 10 GHCDRN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000754171281 1049962874 /nfs/dbraw/zinc/96/28/74/1049962874.db2.gz SMNWVHSMLATIMM-FUYCXPICSA-N 0 0 395.459 3.712 20 10 GHCDRN CCc1cccc(CN2CCNC(=O)[C@@H]2c2ccccc2C(F)(F)F)c1O ZINC001308676941 1050056037 /nfs/dbraw/zinc/05/60/37/1050056037.db2.gz HFIKZNTUFBZGOX-KRWDZBQOSA-N 0 0 378.394 3.647 20 10 GHCDRN CCCNC(=O)[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)c2ccccc2O1 ZINC001308706453 1050066357 /nfs/dbraw/zinc/06/63/57/1050066357.db2.gz NOYPRWRCVJDFMV-DORXLWPQSA-N 0 0 379.504 3.560 20 10 GHCDRN CCCS(=O)(=O)Nc1ccc(NCc2c(C)cc(OC)cc2O)c(F)c1 ZINC001308770330 1050088358 /nfs/dbraw/zinc/08/83/58/1050088358.db2.gz PJMYXNTVLROMPX-UHFFFAOYSA-N 0 0 382.457 3.612 20 10 GHCDRN COC(=O)[C@H](NC[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1Cl ZINC001327855349 1050298910 /nfs/dbraw/zinc/29/89/10/1050298910.db2.gz BUUSRQQSRGEJSS-FOIQADDNSA-N 0 0 388.895 3.679 20 10 GHCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)cc1 ZINC001309075643 1050326735 /nfs/dbraw/zinc/32/67/35/1050326735.db2.gz SXKXALFJAYROOX-UHFFFAOYSA-N 0 0 391.493 3.536 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(Cl)nc1F ZINC001309080263 1050330313 /nfs/dbraw/zinc/33/03/13/1050330313.db2.gz PLZLXXICEPKYEN-UHFFFAOYSA-N 0 0 385.892 3.539 20 10 GHCDRN CC(C)Oc1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC001309079980 1050330750 /nfs/dbraw/zinc/33/07/50/1050330750.db2.gz KXAXTTLEUMOQPT-UHFFFAOYSA-N 0 0 391.537 3.534 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)c3ccc(-c4ccccn4)nc3)CC2)cc1 ZINC001328690723 1050593855 /nfs/dbraw/zinc/59/38/55/1050593855.db2.gz VWKZCYJQISCCER-UHFFFAOYSA-N 0 0 388.471 3.505 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC(c3nnc[nH]3)CC2)c1 ZINC001330268099 1050989253 /nfs/dbraw/zinc/98/92/53/1050989253.db2.gz XCTVSRDBFQBBET-UHFFFAOYSA-N 0 0 383.883 3.885 20 10 GHCDRN COc1ccccc1[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])N1CCCC1 ZINC000756355623 1051047589 /nfs/dbraw/zinc/04/75/89/1051047589.db2.gz UEHDHDIITXIZNM-HNAYVOBHSA-N 0 0 385.464 3.797 20 10 GHCDRN CCN(CC)c1ccc(C[NH2+][C@@H](CN2CCCc3ccccc32)C(=O)[O-])cc1F ZINC000756390850 1051072672 /nfs/dbraw/zinc/07/26/72/1051072672.db2.gz WCXMULKFAKAXFF-FQEVSTJZSA-N 0 0 399.510 3.668 20 10 GHCDRN CCN(CC)c1ccc(C[NH2+][C@H](CN2CCCc3ccccc32)C(=O)[O-])cc1F ZINC000756390852 1051073343 /nfs/dbraw/zinc/07/33/43/1051073343.db2.gz WCXMULKFAKAXFF-HXUWFJFHSA-N 0 0 399.510 3.668 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3cc(C)n(Cc4ccco4)c3C)C2)cc1 ZINC001330888391 1051139700 /nfs/dbraw/zinc/13/97/00/1051139700.db2.gz VQNMLCLWHSLPJR-SFHVURJKSA-N 0 0 393.487 3.764 20 10 GHCDRN CCCCOc1ccc(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC001310588929 1051469234 /nfs/dbraw/zinc/46/92/34/1051469234.db2.gz QYUDLRRVZWOFAK-KRWDZBQOSA-N 0 0 384.480 3.670 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2ccc3c(ccnc3OC)c2)cc1 ZINC001310758705 1051571076 /nfs/dbraw/zinc/57/10/76/1051571076.db2.gz NQKZALUCRCEKLZ-UHFFFAOYSA-N 0 0 394.475 3.852 20 10 GHCDRN Cc1noc(-c2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc2)n1 ZINC001332928849 1051607821 /nfs/dbraw/zinc/60/78/21/1051607821.db2.gz OAKLIXYVJIAYPP-UHFFFAOYSA-N 0 0 376.460 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20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)cc1F ZINC000772467657 875977612 /nfs/dbraw/zinc/97/76/12/875977612.db2.gz DKKUJNCRUBLZBX-QGZVFWFLSA-N 0 0 398.482 3.597 20 10 GHCDRN CC[C@@H]1NC(=O)N(c2cccc(NCc3c(C)c4ccccc4n3C)c2)C1=O ZINC001202249893 876070493 /nfs/dbraw/zinc/07/04/93/876070493.db2.gz BFHSKUQZKKEHOM-SFHVURJKSA-N 0 0 376.460 3.934 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1SCCc2sccc21 ZINC000173154941 876327415 /nfs/dbraw/zinc/32/74/15/876327415.db2.gz HQIKWMAAAAIEFP-LJQANCHMSA-N 0 0 388.558 3.574 20 10 GHCDRN Cc1cc(CC(=O)N[C@H]2C[C@@H]3CCCCN3C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC001129611891 883021517 /nfs/dbraw/zinc/02/15/17/883021517.db2.gz DLQFZBZVUUMDBA-PMACEKPBSA-N 0 0 399.922 3.560 20 10 GHCDRN O=C(N[C@@H]1CCN(c2ccccn2)C1)N(Cc1ccccc1O)C1CCCCC1 ZINC000153162665 883022013 /nfs/dbraw/zinc/02/20/13/883022013.db2.gz HBXZZAGWXSDXJP-LJQANCHMSA-N 0 0 394.519 3.910 20 10 GHCDRN O=C(OCc1ccccc1[N+](=O)[O-])c1cccc2c1C(=O)c1ccccc1C2=O ZINC000006427810 876375555 /nfs/dbraw/zinc/37/55/55/876375555.db2.gz RAAQEZPTIKIYEA-UHFFFAOYSA-N 0 0 387.347 3.727 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccc3ccc(=O)n(C)c3c2)cc1F ZINC000786012808 876384479 /nfs/dbraw/zinc/38/44/79/876384479.db2.gz KDIFTZLTCADHTM-UHFFFAOYSA-N 0 0 396.466 3.846 20 10 GHCDRN O=C(/C=C/c1cnccn1)N1CCCc2c(Br)ccc(Cl)c21 ZINC000776402603 876397147 /nfs/dbraw/zinc/39/71/47/876397147.db2.gz ZZDMTKXNUNPGJU-ZZXKWVIFSA-N 0 0 378.657 3.885 20 10 GHCDRN C[C@H](Cc1ccccc1)NC(=S)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000786066784 876411299 /nfs/dbraw/zinc/41/12/99/876411299.db2.gz GVFLMMKAWMPGCR-QZTJIDSGSA-N 0 0 383.561 3.680 20 10 GHCDRN CC(=O)N/C(=C/c1ccccc1)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108295625 876451192 /nfs/dbraw/zinc/45/11/92/876451192.db2.gz BAQNGRXYTMLVER-XQNSMLJCSA-N 0 0 391.515 3.716 20 10 GHCDRN C[C@H](CC(=O)NCc1ccc(N2CCC(C)CC2)cc1)NC(=O)c1ccccc1 ZINC000108296362 876452445 /nfs/dbraw/zinc/45/24/45/876452445.db2.gz WGCUGMHHRPAZNN-LJQANCHMSA-N 0 0 393.531 3.748 20 10 GHCDRN CCOc1ccc([C@H](C)NC(=O)COc2ccc(N3CCCC3)cc2)cc1OC ZINC000152005123 876473893 /nfs/dbraw/zinc/47/38/93/876473893.db2.gz XHLHIIBWRUYPIO-KRWDZBQOSA-N 0 0 398.503 3.950 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Cc1ccc(Cl)cn1 ZINC000786330382 876632212 /nfs/dbraw/zinc/63/22/12/876632212.db2.gz JYVGWPFGQGRIPD-UHFFFAOYSA-N 0 0 383.673 3.794 20 10 GHCDRN Cc1cc(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cnn1 ZINC000786400534 876698589 /nfs/dbraw/zinc/69/85/89/876698589.db2.gz BEPDPNUFEFFLLC-UHFFFAOYSA-N 0 0 375.388 3.996 20 10 GHCDRN CCc1ccc(NCc2cc(OC)cc(C(C)(C)C)c2O)cc1S(N)(=O)=O ZINC000850303136 876796265 /nfs/dbraw/zinc/79/62/65/876796265.db2.gz SIWKFWJJRVSCEI-UHFFFAOYSA-N 0 0 392.521 3.520 20 10 GHCDRN O=C(NCCCSc1nccs1)NCc1cccnc1OC1CCCC1 ZINC000152092935 876804000 /nfs/dbraw/zinc/80/40/00/876804000.db2.gz CVLUXQNCYYFHJF-UHFFFAOYSA-N 0 0 392.550 3.841 20 10 GHCDRN COC[C@H]([NH2+]Cc1cc(C)cc(Br)c1[O-])c1cccc(OC)c1 ZINC000850362393 876849696 /nfs/dbraw/zinc/84/96/96/876849696.db2.gz MYMYIVGTGRCQLP-KRWDZBQOSA-N 0 0 380.282 3.949 20 10 GHCDRN C[C@H]1COCCN1CCNC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000772687261 876878070 /nfs/dbraw/zinc/87/80/70/876878070.db2.gz BJPFSXHVQCJIMY-KRWDZBQOSA-N 0 0 395.507 3.619 20 10 GHCDRN CSc1cc(Cl)ccc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000850415646 876895837 /nfs/dbraw/zinc/89/58/37/876895837.db2.gz NIHSUVWYECFAMM-LBPRGKRZSA-N 0 0 391.924 3.944 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c[nH]cc1-c1ccccc1F ZINC000786768400 876922213 /nfs/dbraw/zinc/92/22/13/876922213.db2.gz ZPAUKTLRFFJEBO-UHFFFAOYSA-N 0 0 393.462 3.930 20 10 GHCDRN Cc1cc(CNC(=O)NCC2([S@](C)=O)CCC2)c(C)n1-c1cccc(C)c1 ZINC000858419362 883081790 /nfs/dbraw/zinc/08/17/90/883081790.db2.gz IHCUVBILCLJOQM-MHZLTWQESA-N 0 0 387.549 3.503 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1cc(Br)c(F)cc1[O-] ZINC000850501265 876976720 /nfs/dbraw/zinc/97/67/20/876976720.db2.gz LOECYSLEVFONHJ-MKSSWNJWSA-N 0 0 378.307 3.634 20 10 GHCDRN CC[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC000850517757 876989601 /nfs/dbraw/zinc/98/96/01/876989601.db2.gz AVAZXBBWTAESIC-LLVKDONJSA-N 0 0 394.242 3.717 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000786926643 877060948 /nfs/dbraw/zinc/06/09/48/877060948.db2.gz NHBHYIRLQRUBDX-SNVBAGLBSA-N 0 0 398.337 3.957 20 10 GHCDRN Cc1cc(C)cc(CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000850602399 877063875 /nfs/dbraw/zinc/06/38/75/877063875.db2.gz CGRQWSUHAWGCQC-UHFFFAOYSA-N 0 0 393.531 3.569 20 10 GHCDRN COc1ncc(/C=C\C(=O)N2CCCc3cc(C)cc(Br)c32)cn1 ZINC001129684889 883094296 /nfs/dbraw/zinc/09/42/96/883094296.db2.gz PCMGTWBBAXCWIK-WAYWQWQTSA-N 0 0 388.265 3.549 20 10 GHCDRN COc1cc(O)c(CN2C[C@@H](CCN3CCCC3=O)c3ccccc32)cc1OC ZINC000180778452 883097959 /nfs/dbraw/zinc/09/79/59/883097959.db2.gz TVQAXGKBLADOTG-MRXNPFEDSA-N 0 0 396.487 3.526 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)NCc3ccc([S@](C)=O)cc3)cc2)CC1 ZINC000175518895 877241628 /nfs/dbraw/zinc/24/16/28/877241628.db2.gz LKAPFLTYCWKFTF-NDEPHWFRSA-N 0 0 399.560 3.660 20 10 GHCDRN O=C(NCc1ccccc1O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000109677542 877314628 /nfs/dbraw/zinc/31/46/28/877314628.db2.gz ZUYXUYRCLNIMHU-MRXNPFEDSA-N 0 0 393.270 3.620 20 10 GHCDRN COc1cc(S(C)(=O)=O)ccc1NCc1cc(Cl)c2cccnc2c1O ZINC001168525514 877320218 /nfs/dbraw/zinc/32/02/18/877320218.db2.gz FHPIXONHTQGKPN-UHFFFAOYSA-N 0 0 392.864 3.618 20 10 GHCDRN COCCOc1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)cc1F ZINC000175597879 877346235 /nfs/dbraw/zinc/34/62/35/877346235.db2.gz RSLQRFYHWVLHKY-UHFFFAOYSA-N 0 0 388.439 3.757 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)cc1 ZINC000787325603 877347217 /nfs/dbraw/zinc/34/72/17/877347217.db2.gz IBJNGRCEFDWUKB-JXFKEZNVSA-N 0 0 397.519 3.524 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 ZINC000109743134 877386118 /nfs/dbraw/zinc/38/61/18/877386118.db2.gz DTKIOQSJFYKKLB-UHFFFAOYSA-N 0 0 389.839 3.656 20 10 GHCDRN C[C@@H](NC(=O)c1ccc(Br)s1)c1ccc(N2CCOCC2)cc1 ZINC000109180424 877406404 /nfs/dbraw/zinc/40/64/04/877406404.db2.gz QPQDATQIRZCYDA-GFCCVEGCSA-N 0 0 395.322 3.838 20 10 GHCDRN Cc1ccccc1/N=N/c1ccc(NC(=O)C2CN(S(C)(=O)=O)C2)c(C)c1 ZINC001183024076 912231845 /nfs/dbraw/zinc/23/18/45/912231845.db2.gz KULUHPPCIUJILA-QURGRASLSA-N 0 0 386.477 3.549 20 10 GHCDRN C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)Cc1ccc(N)cc1)OCCO3 ZINC000237605955 877680489 /nfs/dbraw/zinc/68/04/89/877680489.db2.gz DEBAWJCTPBPSGP-INIZCTEOSA-N 0 0 392.499 3.998 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000772710052 877741078 /nfs/dbraw/zinc/74/10/78/877741078.db2.gz XNDDOBJERLHNKL-INIZCTEOSA-N 0 0 391.475 3.661 20 10 GHCDRN COc1cc(N(C)CC[C@@H]2Sc3ccccc3NC2=O)cc(OC)c1OC ZINC000851785248 877909813 /nfs/dbraw/zinc/90/98/13/877909813.db2.gz ZSRXUTSZTNYAMU-SFHVURJKSA-N 0 0 388.489 3.652 20 10 GHCDRN COC(=O)[C@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccccc1Br ZINC000851899930 877967527 /nfs/dbraw/zinc/96/75/27/877967527.db2.gz KOBHKAQNTMKLCD-APPDUMDISA-N 0 0 394.265 3.728 20 10 GHCDRN CCCOCc1ccccc1CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000851963272 878002953 /nfs/dbraw/zinc/00/29/53/878002953.db2.gz HSXMCZZGKLVKKC-HXUWFJFHSA-N 0 0 397.519 3.700 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc2ccn(C)c21 ZINC000788338348 878007998 /nfs/dbraw/zinc/00/79/98/878007998.db2.gz UJTCRRLSTMLFST-UHFFFAOYSA-N 0 0 392.503 3.620 20 10 GHCDRN Cc1cc(C(=O)N2CCCN(C(=O)C(C)C)CC2)c(C)n1-c1cccc(C)c1 ZINC000068190660 878063985 /nfs/dbraw/zinc/06/39/85/878063985.db2.gz NTBMVRNXJNXPEE-UHFFFAOYSA-N 0 0 381.520 3.733 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1c(F)cc(Cl)cc1F ZINC000179824319 878065514 /nfs/dbraw/zinc/06/55/14/878065514.db2.gz ISRHDXHIGTTYGW-UHFFFAOYSA-N 0 0 395.837 3.671 20 10 GHCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H]2CCC2CCCCC2)c1 ZINC000179857270 878088785 /nfs/dbraw/zinc/08/87/85/878088785.db2.gz JGENZULIBMVVGQ-KRWDZBQOSA-N 0 0 394.537 3.729 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC000852176074 878121214 /nfs/dbraw/zinc/12/12/14/878121214.db2.gz RDONBKQWCYROCE-RDJZCZTQSA-N 0 0 398.463 3.551 20 10 GHCDRN CC(=O)CC(C)(C)CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000788517595 878123109 /nfs/dbraw/zinc/12/31/09/878123109.db2.gz XVRJCGFGNYUZRF-QGZVFWFLSA-N 0 0 380.916 3.522 20 10 GHCDRN COC[C@H]([NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-])[C@H]1CCCO1 ZINC000788618299 878214065 /nfs/dbraw/zinc/21/40/65/878214065.db2.gz ADQZDMZMVLKLNS-BIGNPOOSSA-N 0 0 378.694 3.653 20 10 GHCDRN CN(C)c1ccc(CNC(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)cc1 ZINC000788720130 878276425 /nfs/dbraw/zinc/27/64/25/878276425.db2.gz SLBWUDGNOQTPSQ-UHFFFAOYSA-N 0 0 385.418 3.753 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCc1noc2ccccc12 ZINC000852383528 878290973 /nfs/dbraw/zinc/29/09/73/878290973.db2.gz DEAFXPPSXFTVCO-INIZCTEOSA-N 0 0 380.492 3.675 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1cccc2ccsc21 ZINC000852396864 878298714 /nfs/dbraw/zinc/29/87/14/878298714.db2.gz PFIOMMPLKNUAML-UHFFFAOYSA-N 0 0 395.528 3.862 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)NCCC[C@H]3CC3(Cl)Cl)C2)cc1 ZINC000852400407 878300160 /nfs/dbraw/zinc/30/01/60/878300160.db2.gz LJVLFQMQZSICDL-UONOGXRCSA-N 0 0 386.323 3.547 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N3CCC(c4ccc(C)nc4)CC3)C2)cc1 ZINC000852452029 878334071 /nfs/dbraw/zinc/33/40/71/878334071.db2.gz ADNYIMYJQXURPM-FQEVSTJZSA-N 0 0 394.519 3.567 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N(C)[C@H](C)Cc3ccccc3OC)C2)cc1 ZINC000852454998 878334760 /nfs/dbraw/zinc/33/47/60/878334760.db2.gz RRESURFVVRMJCM-MJGOQNOKSA-N 0 0 397.519 3.555 20 10 GHCDRN COC[C@H](Cc1ccccc1)N(C)C(=O)NCCCSc1nccs1 ZINC000788811265 878335047 /nfs/dbraw/zinc/33/50/47/878335047.db2.gz BTKKAVLMHJJFIW-INIZCTEOSA-N 0 0 379.551 3.524 20 10 GHCDRN Cc1cc(C(=O)Nc2ccccc2SCCC(N)=O)c(C)n1-c1ccccn1 ZINC000068355721 878367057 /nfs/dbraw/zinc/36/70/57/878367057.db2.gz ILMPKNHYIDSQBQ-UHFFFAOYSA-N 0 0 394.500 3.709 20 10 GHCDRN CCSC1(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000852627376 878477078 /nfs/dbraw/zinc/47/70/78/878477078.db2.gz DETBPQTWPWWIKU-UHFFFAOYSA-N 0 0 399.507 3.842 20 10 GHCDRN Cc1cccc([C@@H]2CCCN2C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000788939600 878484605 /nfs/dbraw/zinc/48/46/05/878484605.db2.gz VDHQADYLHPZLQP-QFIPXVFZSA-N 0 0 391.515 3.575 20 10 GHCDRN CSC1(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC1 ZINC000789047635 878530497 /nfs/dbraw/zinc/53/04/97/878530497.db2.gz ZTVPJAQZAYAOIU-AWEZNQCLSA-N 0 0 399.507 3.842 20 10 GHCDRN CCOCc1ccc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000068479119 878609485 /nfs/dbraw/zinc/60/94/85/878609485.db2.gz QTHFTTNJFJGVID-SFHVURJKSA-N 0 0 397.519 3.620 20 10 GHCDRN CC(C)[C@H](NC(=O)NCCCSc1nccs1)[C@H](O)c1ccccc1 ZINC000789090913 878628721 /nfs/dbraw/zinc/62/87/21/878628721.db2.gz OTNZOLZKIALIJI-JKSUJKDBSA-N 0 0 379.551 3.683 20 10 GHCDRN COc1cccc(CNC(=O)c2cccc(NC(=O)c3cccs3)c2)c1O ZINC000068488475 878631257 /nfs/dbraw/zinc/63/12/57/878631257.db2.gz WJVAWFURKDTANB-UHFFFAOYSA-N 0 0 382.441 3.645 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CSc1ccc(F)c(F)c1 ZINC000068536138 878687254 /nfs/dbraw/zinc/68/72/54/878687254.db2.gz LGHANBGITHEJFU-UHFFFAOYSA-N 0 0 392.471 3.552 20 10 GHCDRN COc1ccc(CC(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)nc1 ZINC000789178022 878702675 /nfs/dbraw/zinc/70/26/75/878702675.db2.gz SUPUXWKHTZHOSP-UHFFFAOYSA-N 0 0 396.418 3.605 20 10 GHCDRN COc1cccc(CNC(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)c1O ZINC000180314763 878776305 /nfs/dbraw/zinc/77/63/05/878776305.db2.gz INUHOAFHSIZWJS-UHFFFAOYSA-N 0 0 390.399 3.926 20 10 GHCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@H](O)c1ccccn1 ZINC000853060846 878780102 /nfs/dbraw/zinc/78/01/02/878780102.db2.gz KZAZGNWYQRHOLY-KRWDZBQOSA-N 0 0 383.473 3.562 20 10 GHCDRN O[C@@H](CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)c1ccccn1 ZINC000853062839 878782066 /nfs/dbraw/zinc/78/20/66/878782066.db2.gz VEOAMMJPYHLDSJ-XLIONFOSSA-N 0 0 381.501 3.950 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@@H](N3CCCC3=O)C2)c(C)n1-c1ccccc1C ZINC000111057577 878786207 /nfs/dbraw/zinc/78/62/07/878786207.db2.gz FQHKBVAPERXFQE-LJQANCHMSA-N 0 0 379.504 3.630 20 10 GHCDRN Cc1cc(Cc2nc(CC(=O)NC3CCCC3)no2)c(C)n1-c1ccccc1 ZINC000853077586 878796018 /nfs/dbraw/zinc/79/60/18/878796018.db2.gz AJXQVMKFNHRCEJ-UHFFFAOYSA-N 0 0 378.476 3.669 20 10 GHCDRN CCc1cc(N2CCCN(c3ccc(OC)cc3)CC2)nc(-c2ccccn2)n1 ZINC000068669156 878859110 /nfs/dbraw/zinc/85/91/10/878859110.db2.gz CGMSHAYUFRPAIH-UHFFFAOYSA-N 0 0 389.503 3.826 20 10 GHCDRN Cc1ccc(C)n1-c1nc(CC(=O)NCc2ccc(N(C)C)c(F)c2)cs1 ZINC000746804969 878879339 /nfs/dbraw/zinc/87/93/39/878879339.db2.gz AQWUBGVBIRMSKV-UHFFFAOYSA-N 0 0 386.496 3.615 20 10 GHCDRN CN(C)c1ccc(CNC(=O)c2ccc(OCc3cccnc3)cc2)cc1F ZINC000746804987 878879702 /nfs/dbraw/zinc/87/97/02/878879702.db2.gz BQCYRFGZKXCESF-UHFFFAOYSA-N 0 0 379.435 3.796 20 10 GHCDRN O=S1(=O)N=C(Cl)c2ccc(NCc3ccc(N4CCCCC4)cc3)cc21 ZINC000853235354 878917604 /nfs/dbraw/zinc/91/76/04/878917604.db2.gz OAWYDZVHYNLPEL-UHFFFAOYSA-N 0 0 389.908 3.977 20 10 GHCDRN CN1CCCc2cc(CNC(=O)/C=C/c3ccc(Br)o3)ccc21 ZINC000746809303 878921828 /nfs/dbraw/zinc/92/18/28/878921828.db2.gz UIOKAFWSESARQJ-RMKNXTFCSA-N 0 0 375.266 3.754 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](c3ccccc3)C(F)(F)F)C2)cc1 ZINC000853400022 879004428 /nfs/dbraw/zinc/00/44/28/879004428.db2.gz NHZSKBRZKVHXTR-CRAIPNDOSA-N 0 0 393.409 3.877 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1C[C@@H]2CCCC[C@@H]21 ZINC000853441817 879019279 /nfs/dbraw/zinc/01/92/79/879019279.db2.gz CFBQCXNDEYQLOO-YJBOKZPZSA-N 0 0 397.441 3.626 20 10 GHCDRN COC(=O)[C@@H](Cc1ccccc1)NCc1ccc(OCc2ccccc2)cc1O ZINC000789569971 879077570 /nfs/dbraw/zinc/07/75/70/879077570.db2.gz CDNUMHGQCTUEBE-JOCHJYFZSA-N 0 0 391.467 3.845 20 10 GHCDRN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NCc1cccc(OC)c1O ZINC000789578821 879079018 /nfs/dbraw/zinc/07/90/18/879079018.db2.gz BXFFFHOCBWKIPJ-INIZCTEOSA-N 0 0 398.286 3.972 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccc(OC)cc3OCC(C)C)CC2)cc1 ZINC000789606630 879109018 /nfs/dbraw/zinc/10/90/18/879109018.db2.gz XRCVRLALANZQPL-UHFFFAOYSA-N 0 0 398.503 3.701 20 10 GHCDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180699776 879224274 /nfs/dbraw/zinc/22/42/74/879224274.db2.gz XOAHHTXYJSCNDF-ZRDIBKRKSA-N 0 0 391.471 3.881 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1ccc2c(c1)S(=O)(=O)N=C2Cl ZINC000853692143 879225228 /nfs/dbraw/zinc/22/52/28/879225228.db2.gz QIGRULYFEYCHFK-CYBMUJFWSA-N 0 0 391.924 3.792 20 10 GHCDRN C[N@H+](CCCCCO)Cc1cc(Br)cc(Br)c1[O-] ZINC000789762879 879243554 /nfs/dbraw/zinc/24/35/54/879243554.db2.gz XSLDDXAVAXVWOP-UHFFFAOYSA-N 0 0 381.108 3.512 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NC[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 ZINC000111522818 879246536 /nfs/dbraw/zinc/24/65/36/879246536.db2.gz NNQPIUBLMYHUPF-DENIHFKCSA-N 0 0 379.504 3.721 20 10 GHCDRN COc1ccc(N2CCN(C(=O)CCc3ccc(Cl)c(F)c3)CC2)cc1 ZINC001127276163 879257777 /nfs/dbraw/zinc/25/77/77/879257777.db2.gz FNCUDHLRAQXKCT-UHFFFAOYSA-N 0 0 376.859 3.769 20 10 GHCDRN C[C@@H](NC(=O)[C@H]1CCCc2c(O)cccc21)c1ccc(N2CCOCC2)cc1 ZINC000789749427 879261771 /nfs/dbraw/zinc/26/17/71/879261771.db2.gz ITQATBHTLXWVKL-IERDGZPVSA-N 0 0 380.488 3.526 20 10 GHCDRN CCc1oc2ccccc2c1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC001127276824 879278243 /nfs/dbraw/zinc/27/82/43/879278243.db2.gz NFHXMXUQZULUBM-UHFFFAOYSA-N 0 0 378.472 3.895 20 10 GHCDRN CO[C@H](CSCC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C)[C@@H]1CCOC1 ZINC000853780702 879281086 /nfs/dbraw/zinc/28/10/86/879281086.db2.gz CYCSJEIPAZJABP-DNVCBOLYSA-N 0 0 392.496 3.596 20 10 GHCDRN COC[C@@H](CSCC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C)OC ZINC000853786336 879284930 /nfs/dbraw/zinc/28/49/30/879284930.db2.gz KYLJZJXHPWRRCP-HNNXBMFYSA-N 0 0 382.913 3.720 20 10 GHCDRN COc1cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(OC)cc1Cl ZINC000789836346 879295250 /nfs/dbraw/zinc/29/52/50/879295250.db2.gz KJVVZOXHLBTMQC-JTQLQIEISA-N 0 0 380.828 3.521 20 10 GHCDRN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@H](c2ccc(Cl)c(F)c2)C1=O ZINC000761580072 879329464 /nfs/dbraw/zinc/32/94/64/879329464.db2.gz SIQQJLRMVYQTBQ-PIGZYNQJSA-N 0 0 375.831 3.899 20 10 GHCDRN COc1ccc(CC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)nc1 ZINC000789894310 879341820 /nfs/dbraw/zinc/34/18/20/879341820.db2.gz RTFUOBOEPFLQEP-UHFFFAOYSA-N 0 0 379.460 3.521 20 10 GHCDRN CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000789969774 879371406 /nfs/dbraw/zinc/37/14/06/879371406.db2.gz IEDTWKVJEBJRIG-CTNGQTDRSA-N 0 0 385.552 3.624 20 10 GHCDRN Cc1c(C(=O)N(Cc2ccco2)Cc2ccccc2O)nnn1CC1CCCC1 ZINC000789978164 879374681 /nfs/dbraw/zinc/37/46/81/879374681.db2.gz BIDODAICOWSMFG-UHFFFAOYSA-N 0 0 394.475 3.918 20 10 GHCDRN O=S(=O)(Nc1ccc(O)cc1F)c1cccc(Br)c1Cl ZINC000790067506 879441447 /nfs/dbraw/zinc/44/14/47/879441447.db2.gz FROVXWXFBIKJNJ-UHFFFAOYSA-N 0 0 380.622 3.748 20 10 GHCDRN Cc1cc(C(=O)Nc2n[nH]c(Cc3cccc(F)c3)n2)c(C)n1-c1ccccn1 ZINC000180892344 879441624 /nfs/dbraw/zinc/44/16/24/879441624.db2.gz AHPFADIZJSRWAB-UHFFFAOYSA-N 0 0 390.422 3.589 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N(C)Cc2ccc(F)cc2Br)cc1 ZINC000790120343 879488454 /nfs/dbraw/zinc/48/84/54/879488454.db2.gz OPKLULODCLKMAE-UHFFFAOYSA-N 0 0 394.288 3.996 20 10 GHCDRN CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000180922116 879498393 /nfs/dbraw/zinc/49/83/93/879498393.db2.gz SQQCMFZAKDLPPM-HTAPYJJXSA-N 0 0 381.520 3.603 20 10 GHCDRN COc1cc(CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)ccc1C ZINC000790160576 879498902 /nfs/dbraw/zinc/49/89/02/879498902.db2.gz SDQJYSKPMYCWGT-JOCHJYFZSA-N 0 0 396.531 3.820 20 10 GHCDRN CCN(CC)c1ccc(CNS(=O)(=O)Cc2cc(C(C)(C)C)on2)cc1F ZINC000790196648 879514161 /nfs/dbraw/zinc/51/41/61/879514161.db2.gz UCBPLRPBTYZIBP-UHFFFAOYSA-N 0 0 397.516 3.577 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCc2c[nH]c(=O)c3ccccc23)cc1 ZINC000914254152 879527075 /nfs/dbraw/zinc/52/70/75/879527075.db2.gz ALXNHMAZDMJVSH-UHFFFAOYSA-N 0 0 378.476 3.786 20 10 GHCDRN COC[C@@H](NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C)[C@H]1CCCO1 ZINC000790277964 879562339 /nfs/dbraw/zinc/56/23/39/879562339.db2.gz PAKLMZNENJMGIK-RTBURBONSA-N 0 0 376.884 3.671 20 10 GHCDRN COC[C@H](NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C)[C@H]1CCCO1 ZINC000790277961 879562782 /nfs/dbraw/zinc/56/27/82/879562782.db2.gz PAKLMZNENJMGIK-RBUKOAKNSA-N 0 0 376.884 3.671 20 10 GHCDRN CSc1cccc(-n2c(C)cc(C(=O)Cn3cnc(C)c(C)c3=O)c2C)c1 ZINC000790283622 879568543 /nfs/dbraw/zinc/56/85/43/879568543.db2.gz QRFPSYLZOLPOFE-UHFFFAOYSA-N 0 0 381.501 3.872 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)C12CC(c3ccccc3)(C1)C2 ZINC000790356289 879625067 /nfs/dbraw/zinc/62/50/67/879625067.db2.gz PHBLJBVCFNRRMV-UHFFFAOYSA-N 0 0 378.541 3.978 20 10 GHCDRN C[C@@H](NC(=O)Cc1csc(-c2ccoc2)n1)c1ccc(N2CCOCC2)cc1 ZINC000152743792 879628326 /nfs/dbraw/zinc/62/83/26/879628326.db2.gz TYIJFNNBULWFIL-OAHLLOKOSA-N 0 0 397.500 3.660 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3ccc(OCC(F)F)cc3)C2)cc1 ZINC000854299199 879703249 /nfs/dbraw/zinc/70/32/49/879703249.db2.gz GDPWNNUGSAWZJJ-HNNXBMFYSA-N 0 0 391.418 3.740 20 10 GHCDRN COc1ccc([C@@H]2C[C@H]2CC(=O)NCc2cc(Br)ccc2O)cc1 ZINC000854442238 879815598 /nfs/dbraw/zinc/81/55/98/879815598.db2.gz LGNUILQAVQXGGY-GUYCJALGSA-N 0 0 390.277 3.973 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2cccc(N3CCC3=O)c2)cc1F ZINC000790581892 879842288 /nfs/dbraw/zinc/84/22/88/879842288.db2.gz VCDAEQDIBLXWAC-UHFFFAOYSA-N 0 0 384.455 3.730 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCCc2cc(=O)[nH][nH]2)cc1 ZINC000854486036 879845853 /nfs/dbraw/zinc/84/58/53/879845853.db2.gz KFVWKTFLBIJAGK-UHFFFAOYSA-N 0 0 392.463 3.554 20 10 GHCDRN COc1cccc(O)c1CNc1ccc2c(c1)N(CC(F)F)C(=O)CS2 ZINC000790619188 879890502 /nfs/dbraw/zinc/89/05/02/879890502.db2.gz NVPZZCHUTWYLRF-UHFFFAOYSA-N 0 0 380.416 3.717 20 10 GHCDRN COc1ccc([C@@H](CN(C)C)[NH2+]Cc2cc(C)cc(Br)c2[O-])cc1 ZINC000790653383 879917479 /nfs/dbraw/zinc/91/74/79/879917479.db2.gz SITVDWJMUJDMOI-GOSISDBHSA-N 0 0 393.325 3.864 20 10 GHCDRN CCOc1ccc(O)c(CNc2cc(Cl)cc(C(=O)N(C)C)c2OC)c1 ZINC000790653606 879918770 /nfs/dbraw/zinc/91/87/70/879918770.db2.gz VXUMLAFAKMCKIB-UHFFFAOYSA-N 0 0 378.856 3.767 20 10 GHCDRN CC(C)Cc1ccccc1C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1 ZINC000790662246 879924462 /nfs/dbraw/zinc/92/44/62/879924462.db2.gz GKXRIAMKMVVETM-UHFFFAOYSA-N 0 0 379.504 3.839 20 10 GHCDRN CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1 ZINC000776750838 879963093 /nfs/dbraw/zinc/96/30/93/879963093.db2.gz LVURBIJPCLCLBO-UHFFFAOYSA-N 0 0 382.869 3.831 20 10 GHCDRN O=C(CCc1ccccc1)N1CCC([NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000790950083 880095615 /nfs/dbraw/zinc/09/56/15/880095615.db2.gz SQQSVHDPAKUCSU-UHFFFAOYSA-N 0 0 390.886 3.898 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000854948590 880168883 /nfs/dbraw/zinc/16/88/83/880168883.db2.gz OCWXVRFMIKWOEL-INIZCTEOSA-N 0 0 393.531 3.676 20 10 GHCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3ccc4c(c3)CCC=C4)c2)CC1 ZINC000791073916 880191277 /nfs/dbraw/zinc/19/12/77/880191277.db2.gz YAJQMUIZUPOBSV-UHFFFAOYSA-N 0 0 375.472 3.567 20 10 GHCDRN CCC1(CC)CC[NH+](Cc2cc(C(C)=O)cc(CN3CCOCC3)c2[O-])CC1 ZINC000776771731 880204280 /nfs/dbraw/zinc/20/42/80/880204280.db2.gz KQLPGJHEXWTCHS-UHFFFAOYSA-N 0 0 388.552 3.829 20 10 GHCDRN Cc1cc(CC(=O)N2C[C@H](C)S(=O)[C@@H](C)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000791182088 880261688 /nfs/dbraw/zinc/26/16/88/880261688.db2.gz MIRGYEIMHCRKME-GJZGRUSLSA-N 0 0 392.952 3.658 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H](C)Oc1ccccc1 ZINC000791246955 880281285 /nfs/dbraw/zinc/28/12/85/880281285.db2.gz RTPGUYVLHYVRLG-QGZVFWFLSA-N 0 0 398.503 3.843 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](c1ccccc1)C1(CO)CCCCC1 ZINC000855121887 880282134 /nfs/dbraw/zinc/28/21/34/880282134.db2.gz VMRQAAYPSUIPPE-MMQQXXMXSA-N 0 0 381.472 3.911 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)COc1ccc(C)cc1 ZINC000791248424 880282762 /nfs/dbraw/zinc/28/27/62/880282762.db2.gz PIEHNTXFPNWDCX-UHFFFAOYSA-N 0 0 398.503 3.762 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(F)c(F)c1 ZINC000791250992 880283324 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GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3c(C)nc4ccccc4c3C)C2)cc1 ZINC000855227346 880371015 /nfs/dbraw/zinc/37/10/15/880371015.db2.gz XGUDYIMYEBPXRW-QGZVFWFLSA-N 0 0 375.472 3.869 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)C2)cc1 ZINC000855227388 880371292 /nfs/dbraw/zinc/37/12/92/880371292.db2.gz WCQBVKBEEFKEKE-CYBMUJFWSA-N 0 0 389.839 3.574 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3ccc(F)cc3Br)C2)cc1 ZINC000855230351 880375819 /nfs/dbraw/zinc/37/58/19/880375819.db2.gz VOLPWVMDCZQSQK-ZDUSSCGKSA-N 0 0 393.256 3.606 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cnn(-c4ccccc4C)c3C)C2)cc1 ZINC000855232349 880376482 /nfs/dbraw/zinc/37/64/82/880376482.db2.gz QGKDJHIFYDRSAT-GOSISDBHSA-N 0 0 390.487 3.506 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cccnc3SC(F)(F)F)C2)cc1 ZINC000855231741 880376659 /nfs/dbraw/zinc/37/66/59/880376659.db2.gz XWVFOPBQIGLLMS-GFCCVEGCSA-N 0 0 397.422 3.711 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3cc4c(C(C)C)nn(C)c4s3)C2)cc1 ZINC000855231395 880376678 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COC[C@@H](C)n1ccc(NC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)n1 ZINC000861006469 885158387 /nfs/dbraw/zinc/15/83/87/885158387.db2.gz XJLMXWXCGYJBLL-OAHLLOKOSA-N 0 0 380.448 3.563 20 10 GHCDRN O=C(c1coc(Br)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000117974757 885231565 /nfs/dbraw/zinc/23/15/65/885231565.db2.gz JNLKDLXPWOEULY-CQSZACIVSA-N 0 0 380.238 3.569 20 10 GHCDRN O=C(CSc1ccc(F)c(F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000117975280 885232763 /nfs/dbraw/zinc/23/27/63/885232763.db2.gz YJFMVBNICYMDGF-OAHLLOKOSA-N 0 0 393.455 3.970 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000807099196 885241133 /nfs/dbraw/zinc/24/11/33/885241133.db2.gz NOGLKLOTSCOBTB-UHFFFAOYSA-N 0 0 395.547 3.633 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(C(F)F)cc1 ZINC000807176407 885271438 /nfs/dbraw/zinc/27/14/38/885271438.db2.gz QPPIOHKPSYEPDX-UHFFFAOYSA-N 0 0 390.430 3.775 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000807181808 885305600 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CCc1nnc(-c2ccc(NC(=O)NCc3ccc(N(C)C)cc3C)cc2)o1 ZINC000747558221 887365715 /nfs/dbraw/zinc/36/57/15/887365715.db2.gz SNSDVEFTXRNHQG-UHFFFAOYSA-N 0 0 379.464 3.995 20 10 GHCDRN Nc1ccc(OCCOc2ccc(Nc3cnc(N4CCCC4)nc3)cc2)cc1 ZINC001211936537 887394385 /nfs/dbraw/zinc/39/43/85/887394385.db2.gz WJFQAHKDVXAYOL-UHFFFAOYSA-N 0 0 391.475 3.860 20 10 GHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1C[C@H]1c1ccco1 ZINC000863891573 887432425 /nfs/dbraw/zinc/43/24/25/887432425.db2.gz UAASHXBYNOUWNX-KBRIMQKVSA-N 0 0 376.403 3.770 20 10 GHCDRN Cc1cc(=O)oc2cc([O-])c(C[N@@H+](C)CC(=O)N[C@@H](C)CCCC(C)C)cc12 ZINC001184362914 913147261 /nfs/dbraw/zinc/14/72/61/913147261.db2.gz WNNXTYPSOWIIDE-INIZCTEOSA-N 0 0 388.508 3.570 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2C[C@@H](c3ccccc3)OC2=O)cc1 ZINC000809548583 887565603 /nfs/dbraw/zinc/56/56/03/887565603.db2.gz GGVXVZJLYUSUOY-RTWAWAEBSA-N 0 0 380.488 3.796 20 10 GHCDRN CN(C)c1ccc(CNCc2nc3ccccn3c2Br)cc1F ZINC000809610922 887582585 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GHCDRN COC(=O)c1ccc(C[NH2+]Cc2cccc(Br)c2[O-])nc1C1CC1 ZINC000809758890 887803477 /nfs/dbraw/zinc/80/34/77/887803477.db2.gz WQPFZEYTDOIILK-UHFFFAOYSA-N 0 0 391.265 3.504 20 10 GHCDRN CN(C)c1cc(F)c(C[NH2+]C[C@H](Cc2ccccc2Cl)C(=O)[O-])cc1F ZINC000864504240 887808628 /nfs/dbraw/zinc/80/86/28/887808628.db2.gz CPINAKOSXNYSNB-AWEZNQCLSA-N 0 0 382.838 3.717 20 10 GHCDRN COc1cc(Br)cc(CN2CCC(=O)N(C)c3ccccc32)c1O ZINC000809785817 887839529 /nfs/dbraw/zinc/83/95/29/887839529.db2.gz CXWNCIFKBUVRSI-UHFFFAOYSA-N 0 0 391.265 3.536 20 10 GHCDRN CN1c2ccccc2N(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCC1=O ZINC000809786268 887839932 /nfs/dbraw/zinc/83/99/32/887839932.db2.gz WFRSCWOAVOSMAK-UHFFFAOYSA-N 0 0 394.475 3.958 20 10 GHCDRN COc1ccc(O)c(CNC(=O)Nc2nc(Sc3ccccc3)ns2)c1 ZINC000809882459 887920946 /nfs/dbraw/zinc/92/09/46/887920946.db2.gz NTSJMBDJNLQFDG-UHFFFAOYSA-N 0 0 388.474 3.725 20 10 GHCDRN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc2c(c1)CCN2Cc1ccccc1 ZINC000794707699 887924537 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OIVSPUPADKPLRD-LJQANCHMSA-N 0 0 375.472 3.623 20 10 GHCDRN C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1cc(Br)cc(Br)c1[O-] ZINC000779063603 903748332 /nfs/dbraw/zinc/74/83/32/903748332.db2.gz HIVQBYDUOXMETO-BPTDKIDVSA-N 0 0 393.119 3.727 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)COc2ccc(Br)cc2Cl)c1 ZINC001147956272 903931833 /nfs/dbraw/zinc/93/18/33/903931833.db2.gz BOZBJLYZSMOWSZ-UHFFFAOYSA-N 0 0 384.657 3.812 20 10 GHCDRN CO[C@@]1(C)C[C@H]1NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C ZINC001148473058 904081366 /nfs/dbraw/zinc/08/13/66/904081366.db2.gz GJQUGHKVNGEYIF-AEFFLSMTSA-N 0 0 377.282 3.764 20 10 GHCDRN COc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)ccc1Br ZINC001148642167 904133228 /nfs/dbraw/zinc/13/32/28/904133228.db2.gz GWYYDJCTQQQCLX-UHFFFAOYSA-N 0 0 377.198 3.872 20 10 GHCDRN Cc1cc(CC(=O)N[C@H]2CCn3ccnc3C2)c(C)n1-c1ccc(Cl)cc1 ZINC000779096562 904136484 /nfs/dbraw/zinc/13/64/84/904136484.db2.gz YDRQQULUIKNWKT-SFHVURJKSA-N 0 0 382.895 3.618 20 10 GHCDRN Cc1ccc(-n2cnnc2SCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000772993052 904157332 /nfs/dbraw/zinc/15/73/32/904157332.db2.gz FPQVAXVDCXXLRE-MRXNPFEDSA-N 0 0 395.532 3.611 20 10 GHCDRN CN(Cc1ccccc1O)S(=O)(=O)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001186774794 914798720 /nfs/dbraw/zinc/79/87/20/914798720.db2.gz KWWHVWGPWMWVJF-UHFFFAOYSA-N 0 0 395.786 3.765 20 10 GHCDRN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773008032 904364618 /nfs/dbraw/zinc/36/46/18/904364618.db2.gz AGNPFWUAVSBJKO-MRXNPFEDSA-N 0 0 376.504 3.975 20 10 GHCDRN C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000773020401 904380006 /nfs/dbraw/zinc/38/00/06/904380006.db2.gz UDULJRASLJVBAK-NVXWUHKLSA-N 0 0 375.513 3.577 20 10 GHCDRN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773021862 904382108 /nfs/dbraw/zinc/38/21/08/904382108.db2.gz UQWSVRDQHXNHDP-OPAMFIHVSA-N 0 0 377.488 3.894 20 10 GHCDRN C[C@H](NCc1cn(-c2ccccc2)nn1)c1ccc(N2CCOCC2)cc1Cl ZINC000773034909 904391484 /nfs/dbraw/zinc/39/14/84/904391484.db2.gz JBVNZCNTAMVIAF-INIZCTEOSA-N 0 0 397.910 3.608 20 10 GHCDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773084954 904420730 /nfs/dbraw/zinc/42/07/30/904420730.db2.gz VFXPPEGORJNHDF-LBPRGKRZSA-N 0 0 397.884 3.662 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)N2CCC(NC(=O)CC(C)C)CC2)c1 ZINC001186840635 914816631 /nfs/dbraw/zinc/81/66/31/914816631.db2.gz NEMNTTRMOWAFGU-UHFFFAOYSA-N 0 0 397.519 3.567 20 10 GHCDRN C[C@@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)N1CCc2sccc2C1 ZINC000773190372 904548275 /nfs/dbraw/zinc/54/82/75/904548275.db2.gz VPDZFHMKBAVAKS-HOTGVXAUSA-N 0 0 386.565 3.621 20 10 GHCDRN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773201878 904559939 /nfs/dbraw/zinc/55/99/39/904559939.db2.gz XRMDSZUVLQSFTL-IAGOWNOFSA-N 0 0 396.535 3.841 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)Nc3cccc(OC)c3OC)CC2)cc1 ZINC000889499247 904608002 /nfs/dbraw/zinc/60/80/02/904608002.db2.gz NAXCITXYWCUREX-UHFFFAOYSA-N 0 0 385.464 3.503 20 10 GHCDRN O=c1[nH]cnc2cc(N3CC=C(c4ccc(Cl)nc4)CC3)c([N+](=O)[O-])cc12 ZINC000773247998 904611086 /nfs/dbraw/zinc/61/10/86/904611086.db2.gz RDJQCOXFXXAXER-UHFFFAOYSA-N 0 0 383.795 3.586 20 10 GHCDRN COc1ccccc1N1CC[C@H](CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773268626 904638375 /nfs/dbraw/zinc/63/83/75/904638375.db2.gz VASWIEOQZAPVJF-ZWKOTPCHSA-N 0 0 396.535 3.648 20 10 GHCDRN C[C@H](NC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000773270456 904645750 /nfs/dbraw/zinc/64/57/50/904645750.db2.gz PKKJVISMYDXQGK-HNNXBMFYSA-N 0 0 390.528 3.512 20 10 GHCDRN C[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(N(C)C)cc1 ZINC000773282311 904678845 /nfs/dbraw/zinc/67/88/45/904678845.db2.gz LDTZIESRUSDXPL-RHSMWYFYSA-N 0 0 388.462 3.670 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(C)c(C(C)=O)c(C)c1 ZINC000889832159 904788741 /nfs/dbraw/zinc/78/87/41/904788741.db2.gz GDSQKTSXUBMQPX-UHFFFAOYSA-N 0 0 395.503 3.559 20 10 GHCDRN COCC(=O)N1CCc2cc(NCc3ccc(N4CCCCC4)cc3)ccc21 ZINC000189324085 905055848 /nfs/dbraw/zinc/05/58/48/905055848.db2.gz VWZPDPYKQHWUQV-UHFFFAOYSA-N 0 0 379.504 3.825 20 10 GHCDRN CCOc1cccc(CN[C@H](C(=O)OC)c2ccc(Br)cc2)c1O ZINC000779175155 905121883 /nfs/dbraw/zinc/12/18/83/905121883.db2.gz UUDDUVHRPRBJNS-INIZCTEOSA-N 0 0 394.265 3.557 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 ZINC000801549969 921123025 /nfs/dbraw/zinc/12/30/25/921123025.db2.gz JMKZFOKZTITCHM-UHFFFAOYSA-N 0 0 397.475 3.752 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)CN(C(=O)OC(C)(C)C)C1CC1 ZINC000801551017 921124713 /nfs/dbraw/zinc/12/47/13/921124713.db2.gz GWGUESULEMLGTF-UHFFFAOYSA-N 0 0 376.497 3.920 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N(C)Cc2nc(C(F)(F)F)cs2)cc1F ZINC000174215847 905227862 /nfs/dbraw/zinc/22/78/62/905227862.db2.gz HEIAZUIYRMNXQE-UHFFFAOYSA-N 0 0 390.406 3.709 20 10 GHCDRN Cc1cc(=O)n2nc(CN(C)c3ccc(OCc4ccccc4)cc3)sc2n1 ZINC000189644237 905229707 /nfs/dbraw/zinc/22/97/07/905229707.db2.gz IURBLAJADWNOOV-UHFFFAOYSA-N 0 0 392.484 3.675 20 10 GHCDRN COc1cnccc1[C@H](C)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000189842260 905333638 /nfs/dbraw/zinc/33/36/38/905333638.db2.gz HRWFKQAJHBJPEN-KRWDZBQOSA-N 0 0 382.508 3.887 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@@H]2CCO)c(C)n1-c1cccc(Br)c1 ZINC000779284283 906016738 /nfs/dbraw/zinc/01/67/38/906016738.db2.gz LPUCOUICILNWTA-MRXNPFEDSA-N 0 0 391.309 3.844 20 10 GHCDRN CCCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1cc(OC)ccc1O ZINC000190517756 906088405 /nfs/dbraw/zinc/08/84/05/906088405.db2.gz PBVLYNZBLFEKEG-UHFFFAOYSA-N 0 0 384.476 3.732 20 10 GHCDRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000177541294 906160919 /nfs/dbraw/zinc/16/09/19/906160919.db2.gz ILDHXDWXSFPRHB-UULLZXFKSA-N 0 0 397.544 3.703 20 10 GHCDRN Cc1ccc(C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c(O)c1O ZINC000177683672 906198634 /nfs/dbraw/zinc/19/86/34/906198634.db2.gz ZRTFMPCJKACQFK-SFHVURJKSA-N 0 0 375.852 3.645 20 10 GHCDRN Cc1cc(CCNC(=O)N(C)Cc2ncc(Cl)n2C)c(C)n1-c1ccccc1 ZINC000779329903 906202043 /nfs/dbraw/zinc/20/20/43/906202043.db2.gz USOKTOAJLOSART-UHFFFAOYSA-N 0 0 399.926 3.865 20 10 GHCDRN CC[C@]1(O)CCN(C(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)C1 ZINC000779335241 906239038 /nfs/dbraw/zinc/23/90/38/906239038.db2.gz GVQPBQGGEZPZDK-IBGZPJMESA-N 0 0 391.309 3.844 20 10 GHCDRN COc1cccc(CNC(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)c1O ZINC000190723818 906256370 /nfs/dbraw/zinc/25/63/70/906256370.db2.gz RNNQMCNAQPRXHR-UHFFFAOYSA-N 0 0 383.366 3.893 20 10 GHCDRN O=C(c1cccc(O)c1O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000365915740 921247947 /nfs/dbraw/zinc/24/79/47/921247947.db2.gz OMKBZYGOXQIEEX-UHFFFAOYSA-N 0 0 389.451 3.889 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000180683018 906818934 /nfs/dbraw/zinc/81/89/34/906818934.db2.gz QQTMOPZBEHIPIH-PKNBQFBNSA-N 0 0 380.444 3.556 20 10 GHCDRN CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)Cc1ccc(N)cc1 ZINC001174689082 907149373 /nfs/dbraw/zinc/14/93/73/907149373.db2.gz ODTKTMWHGVRTCL-UHFFFAOYSA-N 0 0 382.485 3.814 20 10 GHCDRN C[C@H](Oc1ccc(Br)cc1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000008171386 921307736 /nfs/dbraw/zinc/30/77/36/921307736.db2.gz FCKAIFIHTVQJBU-ZDUSSCGKSA-N 0 0 377.282 3.599 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Oc1ccc(NC(=O)c2ccccc2)cc1 ZINC000779474929 907258845 /nfs/dbraw/zinc/25/88/45/907258845.db2.gz GAMMIDZLTUMQHG-QPEQYQDCSA-N 0 0 375.380 3.969 20 10 GHCDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1)O[C@H](C)C2 ZINC000779513469 907357002 /nfs/dbraw/zinc/35/70/02/907357002.db2.gz HFCQWIMRCPPKKO-BXGVTTIUSA-N 0 0 395.455 3.505 20 10 GHCDRN COc1cccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)c1OC1CCCC1 ZINC000779522141 907359694 /nfs/dbraw/zinc/35/96/94/907359694.db2.gz SGSOKHIOGDBAGT-BENRWUELSA-N 0 0 383.444 3.757 20 10 GHCDRN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779520502 907359956 /nfs/dbraw/zinc/35/99/56/907359956.db2.gz IQWFOVWBBVDYRJ-FLJMFPIGSA-N 0 0 392.496 3.557 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(-c2ccccc2)c1C1CC1 ZINC000183484799 907397828 /nfs/dbraw/zinc/39/78/28/907397828.db2.gz IYNFYOVBGLBPGY-AWEZNQCLSA-N 0 0 377.444 3.522 20 10 GHCDRN Cc1ccc(S(=O)(=O)N(c2ccc(N)cc2)c2ccc3c(cnn3C)c2)cc1 ZINC001175424645 907544933 /nfs/dbraw/zinc/54/49/33/907544933.db2.gz ZAGQGXGPEQFHNJ-UHFFFAOYSA-N 0 0 392.484 3.991 20 10 GHCDRN C[C@@H]([NH2+]C1CCN(C)CC1)c1cc(Br)cc(Br)c1[O-] ZINC000184897411 907677400 /nfs/dbraw/zinc/67/74/00/907677400.db2.gz WDBHXLXECGWZCD-SECBINFHSA-N 0 0 392.135 3.662 20 10 GHCDRN Nc1ncc(Nc2cccc3c2C(=O)c2ccccc2C3=O)c(C(F)(F)F)n1 ZINC001175676107 907685726 /nfs/dbraw/zinc/68/57/26/907685726.db2.gz DEIIKIFMZKXLNT-UHFFFAOYSA-N 0 0 384.317 3.597 20 10 GHCDRN CC(C)c1cccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000773517653 907712673 /nfs/dbraw/zinc/71/26/73/907712673.db2.gz OVYSKNJIPKITEF-UHFFFAOYSA-N 0 0 399.510 3.910 20 10 GHCDRN C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(F)cc1[O-] ZINC000185180746 907727555 /nfs/dbraw/zinc/72/75/55/907727555.db2.gz QCSQNHRWQHMEQK-OAGGEKHMSA-N 0 0 386.467 3.632 20 10 GHCDRN CC(C)Cc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc(=O)[nH]1 ZINC000777424024 907886712 /nfs/dbraw/zinc/88/67/12/907886712.db2.gz FORSXYIRDPJHKC-LJQANCHMSA-N 0 0 384.476 3.513 20 10 GHCDRN COc1cc2c(cc1OC)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)CCCC2 ZINC001176073182 907902568 /nfs/dbraw/zinc/90/25/68/907902568.db2.gz IYWOTXJGSGKAOQ-SYJIQKIWSA-N 0 0 383.444 3.712 20 10 GHCDRN CSc1nnc(CCC[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])n1CC(C)C ZINC000187718436 908130186 /nfs/dbraw/zinc/13/01/86/908130186.db2.gz QPEJKGIVVWVBDD-GFCCVEGCSA-N 0 0 384.496 3.923 20 10 GHCDRN COc1ccc(O)cc1N(c1ccc(N)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC001176579492 908183431 /nfs/dbraw/zinc/18/34/31/908183431.db2.gz QLNUSBLLMKPERD-UHFFFAOYSA-N 0 0 384.457 3.818 20 10 GHCDRN O=C(NCc1cc(O)ccc1O)[C@@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC001176748073 908236379 /nfs/dbraw/zinc/23/63/79/908236379.db2.gz ISWPZGCDRSQRLI-LJQANCHMSA-N 0 0 392.858 3.734 20 10 GHCDRN CN(CCCCc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000193377737 908313033 /nfs/dbraw/zinc/31/30/33/908313033.db2.gz NFCYWUIRVDJIDE-UHFFFAOYSA-N 0 0 399.510 3.827 20 10 GHCDRN Cc1ccccc1C[C@@H](C)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000193394190 908324929 /nfs/dbraw/zinc/32/49/29/908324929.db2.gz WIQGSEILHOITQB-LJQANCHMSA-N 0 0 395.547 3.634 20 10 GHCDRN CC(C)Oc1ccc([C@@H](O)CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773609725 908400011 /nfs/dbraw/zinc/40/00/11/908400011.db2.gz AXBAPCAGXPLGHN-IERDGZPVSA-N 0 0 385.508 3.634 20 10 GHCDRN C[C@H](NC(=O)NC[C@H](O)c1ccc(Cl)c(F)c1)c1ccc(N(C)C)cc1 ZINC000773616456 908425085 /nfs/dbraw/zinc/42/50/85/908425085.db2.gz KTRGGPVSUAFPCZ-SGTLLEGYSA-N 0 0 379.863 3.639 20 10 GHCDRN C[C@@H](NC(=O)N[C@H](c1nccn1C)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000773621413 908449468 /nfs/dbraw/zinc/44/94/68/908449468.db2.gz YHXVKDBHJXARPS-QRWLVFNGSA-N 0 0 395.482 3.775 20 10 GHCDRN C[C@@H](NC(=O)N[C@@H](c1nccn1C)c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000773626095 908461853 /nfs/dbraw/zinc/46/18/53/908461853.db2.gz MECZHAOEKALNHK-FOIQADDNSA-N 0 0 395.482 3.775 20 10 GHCDRN OCC1CCN(c2ccc(C[NH2+]Cc3ccc(Br)o3)cc2)CC1 ZINC000190857597 908535861 /nfs/dbraw/zinc/53/58/61/908535861.db2.gz JGLHAUJEUXAHAH-UHFFFAOYSA-N 0 0 379.298 3.541 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC001177430123 908587711 /nfs/dbraw/zinc/58/77/11/908587711.db2.gz JGRLOQGRWVMVQA-QZTJIDSGSA-N 0 0 394.393 3.746 20 10 GHCDRN C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000191208167 908595330 /nfs/dbraw/zinc/59/53/30/908595330.db2.gz QZWWKASKOSDJRN-CHWSQXEVSA-N 0 0 390.430 3.740 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2OC(C)C)cc1 ZINC000193780503 908706268 /nfs/dbraw/zinc/70/62/68/908706268.db2.gz NTGSIBQRXGRVLN-UHFFFAOYSA-N 0 0 383.492 3.575 20 10 GHCDRN Cc1ccc(N2CC[C@H]([NH2+]Cc3cc(C)cc(Br)c3[O-])C2=O)cc1 ZINC001177892780 908785322 /nfs/dbraw/zinc/78/53/22/908785322.db2.gz BJPWRMVGVPVZLG-KRWDZBQOSA-N 0 0 389.293 3.667 20 10 GHCDRN CCc1cc(CN2CCN(C(=O)c3ccccn3)CC2)c(O)c(C(C)(C)C)c1 ZINC000193993875 908825687 /nfs/dbraw/zinc/82/56/87/908825687.db2.gz UWHISVRUSUJSDI-UHFFFAOYSA-N 0 0 381.520 3.605 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(OCC(C)C)c1 ZINC000194016209 908838319 /nfs/dbraw/zinc/83/83/19/908838319.db2.gz FVAOIYASVOVTJX-UHFFFAOYSA-N 0 0 397.519 3.775 20 10 GHCDRN Cc1ccccc1-c1cc(NCc2ccc(N3CCN(C)CC3)c(F)c2)n(C)n1 ZINC001178139359 908903740 /nfs/dbraw/zinc/90/37/40/908903740.db2.gz SZECTNOGRPHGBA-UHFFFAOYSA-N 0 0 393.510 3.899 20 10 GHCDRN C[C@H](N[C@@H](C)c1ccccn1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000194714906 908915416 /nfs/dbraw/zinc/91/54/16/908915416.db2.gz YNTHUYWCTUZQNF-GJZGRUSLSA-N 0 0 399.450 3.535 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)Nc1cc(F)cc(N2CCOCC2)c1 ZINC000194985648 908948718 /nfs/dbraw/zinc/94/87/18/908948718.db2.gz RJDXRDPZMWQEAC-UHFFFAOYSA-N 0 0 398.482 3.584 20 10 GHCDRN COC(=O)CCC(=O)CSc1ncc(-c2ccccc2)n1CC(F)(F)F ZINC000195439443 909008533 /nfs/dbraw/zinc/00/85/33/909008533.db2.gz NHXVLPCRAMSEFW-UHFFFAOYSA-N 0 0 386.395 3.727 20 10 GHCDRN CCCN(CC)c1ccc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cn1 ZINC000195483998 909014599 /nfs/dbraw/zinc/01/45/99/909014599.db2.gz GFVNFBQXLXMVQF-UHFFFAOYSA-N 0 0 396.535 3.679 20 10 GHCDRN Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1NC(=O)NC(C)(C)C ZINC000773741124 909033572 /nfs/dbraw/zinc/03/35/72/909033572.db2.gz REWDARGWELUKSZ-AWEZNQCLSA-N 0 0 399.491 3.687 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cn(Cc2cccs2)nn1 ZINC000266296386 909068535 /nfs/dbraw/zinc/06/85/35/909068535.db2.gz RQQGLVKKATXPKF-UHFFFAOYSA-N 0 0 383.521 3.505 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1 ZINC000266319694 909076915 /nfs/dbraw/zinc/07/69/15/909076915.db2.gz BZHJKIFIEGWGAH-UHFFFAOYSA-N 0 0 397.475 3.972 20 10 GHCDRN CCOc1ccc(-c2nc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cs2)cc1 ZINC000773749641 909113673 /nfs/dbraw/zinc/11/36/73/909113673.db2.gz RYOLWZGZFPLXEP-ZDUSSCGKSA-N 0 0 398.484 3.981 20 10 GHCDRN COc1ccc(Nc2nc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cs2)cc1 ZINC000773760281 909134787 /nfs/dbraw/zinc/13/47/87/909134787.db2.gz GGQOMWLPTPYESC-GFCCVEGCSA-N 0 0 399.472 3.668 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(N2CCOC2=O)cc1 ZINC000266439179 909160076 /nfs/dbraw/zinc/16/00/76/909160076.db2.gz OJURATRTQRUCEA-UHFFFAOYSA-N 0 0 381.432 3.549 20 10 GHCDRN CC(C)(C)OC(=O)CCCCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000773761895 909173489 /nfs/dbraw/zinc/17/34/89/909173489.db2.gz QUNMACNVEHCYGG-UHFFFAOYSA-N 0 0 376.497 3.582 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(OC)c(N2CCOC2=O)c1 ZINC000266469409 909181011 /nfs/dbraw/zinc/18/10/11/909181011.db2.gz RIFIVFRSKJUNKW-UHFFFAOYSA-N 0 0 399.447 3.802 20 10 GHCDRN CNC(=O)C1CCC(NC(=O)N(Cc2ccccc2O)C2CCCCC2)CC1 ZINC000266721165 909274838 /nfs/dbraw/zinc/27/48/38/909274838.db2.gz JJHGEDLYMUZUCA-UHFFFAOYSA-N 0 0 387.524 3.541 20 10 GHCDRN Cc1nn(C)c(C)c1CNC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000266777888 909298388 /nfs/dbraw/zinc/29/83/88/909298388.db2.gz JUMGTXZNFPIMGK-UHFFFAOYSA-N 0 0 395.507 3.608 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1[nH]c2ccccc2c1Cl ZINC000299592585 921491501 /nfs/dbraw/zinc/49/15/01/921491501.db2.gz FVXWVWRHKKISFD-UHFFFAOYSA-N 0 0 397.906 3.960 20 10 GHCDRN Cc1cnc([C@@H](C)NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000267478189 909520429 /nfs/dbraw/zinc/52/04/29/909520429.db2.gz GDCGSMMCLVITBT-GDBMZVCRSA-N 0 0 375.494 3.609 20 10 GHCDRN CN(C(=O)OC(C)(C)C)c1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC001179689088 909648353 /nfs/dbraw/zinc/64/83/53/909648353.db2.gz CSUKOXABRMOSRP-XYOKQWHBSA-N 0 0 398.459 3.799 20 10 GHCDRN C[C@@H](CC(N)=O)c1ccc(NCc2cc(Br)cc(F)c2O)cc1 ZINC001179666546 909657040 /nfs/dbraw/zinc/65/70/40/909657040.db2.gz UTAACFGACIYQFE-JTQLQIEISA-N 0 0 381.245 3.885 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001179683860 909670786 /nfs/dbraw/zinc/67/07/86/909670786.db2.gz BPXVVHHAGQSOKT-WQOIYJQXSA-N 0 0 393.483 3.750 20 10 GHCDRN Cc1cc(C(=O)Nc2nc(-c3cnn(C)c3)ns2)c(C)n1-c1ccc(F)cc1 ZINC001179879527 909800695 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CCOC(C)(C)C(=O)Nc1ccc(N(C)CCN(C)c2ccc(N)cc2)cc1 ZINC001181152911 910574852 /nfs/dbraw/zinc/57/48/52/910574852.db2.gz QZWIQFOJRPGBQD-UHFFFAOYSA-N 0 0 384.524 3.595 20 10 GHCDRN CCN(CC)c1ccc(CN2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1F ZINC000246795632 910642890 /nfs/dbraw/zinc/64/28/90/910642890.db2.gz QPUXFBQZJHHSPY-YLJYHZDGSA-N 0 0 376.472 3.589 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1ccc2[nH]ccc2c1 ZINC000270762760 910694321 /nfs/dbraw/zinc/69/43/21/910694321.db2.gz DQDCLZIKBIGZOQ-WEVVVXLNSA-N 0 0 375.472 3.676 20 10 GHCDRN Cc1cc(C(=O)NCCCN2CCCCCC2=O)c(C)n1-c1cccc(C)c1 ZINC000115538272 910727397 /nfs/dbraw/zinc/72/73/97/910727397.db2.gz IRFHPMVEAPETLY-UHFFFAOYSA-N 0 0 381.520 3.925 20 10 GHCDRN CN(CCN(C)c1ccc(NC(=O)[C@@H]2C[C@@]2(F)Cl)cc1)c1ccc(N)cc1 ZINC001181668900 910912634 /nfs/dbraw/zinc/91/26/34/910912634.db2.gz RHSWUOFWNFCDDP-ICSRJNTNSA-N 0 0 390.890 3.704 20 10 GHCDRN C[C@@H](CC(=O)NCC(=O)c1ccc(O)c(O)c1)Sc1ccc(Cl)cc1 ZINC001181770816 910972337 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/nfs/dbraw/zinc/84/59/43/935845943.db2.gz QJPLJSDEIWJBIB-NSHDSACASA-N 0 0 392.502 3.888 20 10 GHCDRN O=C(C[C@H](n1cccn1)C(F)(F)F)N(Cc1ccco1)Cc1ccccc1O ZINC000830136926 935904838 /nfs/dbraw/zinc/90/48/38/935904838.db2.gz CWASVTRYNRMPRT-KRWDZBQOSA-N 0 0 393.365 3.904 20 10 GHCDRN Cc1cc(CC(=O)N2CC[C@H](OCc3ccccn3)C2)c(C)n1-c1ccccc1 ZINC000830156293 935907578 /nfs/dbraw/zinc/90/75/78/935907578.db2.gz REXGARLYPGCSKH-QHCPKHFHSA-N 0 0 389.499 3.849 20 10 GHCDRN Cc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001460982598 1069316772 /nfs/dbraw/zinc/31/67/72/1069316772.db2.gz KWWZQDHICGEJNT-SFHVURJKSA-N 0 0 376.504 3.916 20 10 GHCDRN Cc1ccc(C)c(C2=NO[C@H](C(=O)N[C@H](C)Cc3ccc(N(C)C)cc3C)C2)c1 ZINC001460983412 1069317605 /nfs/dbraw/zinc/31/76/05/1069317605.db2.gz NXNKXXOLGNKWSG-JPYJTQIMSA-N 0 0 393.531 3.918 20 10 GHCDRN Cc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c(O)c1O ZINC000182284100 1014569803 /nfs/dbraw/zinc/56/98/03/1014569803.db2.gz YGPIKGATTYFBEL-AWEZNQCLSA-N 0 0 397.406 3.615 20 10 GHCDRN C[C@@H](COCc1ccccc1)C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001592775042 979397216 /nfs/dbraw/zinc/39/72/16/979397216.db2.gz CPLUMWKYTAHEAW-OAHLLOKOSA-N 0 0 377.868 3.785 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1nnc(/C=C/c2ccco2)s1 ZINC000764001825 1014804908 /nfs/dbraw/zinc/80/49/08/1014804908.db2.gz QFRYPTKUBAFNED-CMDGGOBGSA-N 0 0 383.477 3.998 20 10 GHCDRN Cc1c(NC(=O)NCc2c(O)cccc2F)cnn1-c1ccc(F)cc1F ZINC001626042779 1014822143 /nfs/dbraw/zinc/82/21/43/1014822143.db2.gz QZICGZRADUEPCD-UHFFFAOYSA-N 0 0 376.338 3.625 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)c1 ZINC001545684090 1014990819 /nfs/dbraw/zinc/99/08/19/1014990819.db2.gz JLPOULFOADBDQA-LSDHHAIUSA-N 0 0 394.512 3.908 20 10 GHCDRN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OC2CCC(C(=O)[O-])CC2)C1 ZINC001591634925 992942302 /nfs/dbraw/zinc/94/23/02/992942302.db2.gz GBXZBWWRFIKHRH-UHFFFAOYSA-N 0 0 398.503 3.594 20 10 GHCDRN C[C@@H]([NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1)c1cc(C(=O)[O-])ccc1O ZINC001593210428 994248748 /nfs/dbraw/zinc/24/87/48/994248748.db2.gz QRAIGUUHEGOQDX-BDJLRTHQSA-N 0 0 383.366 3.884 20 10 GHCDRN C[C@H]([NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1)c1cc(C(=O)[O-])ccc1O ZINC001593298369 994713762 /nfs/dbraw/zinc/71/37/62/994713762.db2.gz IZXYVKROZVDOKK-AWEZNQCLSA-N 0 0 391.427 3.589 20 10 GHCDRN C[C@H]([NH2+]Cc1ccc(Cl)c(C(=O)[O-])n1)c1ccc(Br)cc1O ZINC001593300058 994727779 /nfs/dbraw/zinc/72/77/79/994727779.db2.gz ZBNYBWFGKPLIJT-QMMMGPOBSA-N 0 0 385.645 3.752 20 10 GHCDRN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+](C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC001599450702 998091734 /nfs/dbraw/zinc/09/17/34/998091734.db2.gz TUERXQHCSVNFOG-JOCHJYFZSA-N 0 0 398.503 3.952 20 10 GHCDRN C[C@H](c1ccccc1)N1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC001221054676 1032259226 /nfs/dbraw/zinc/25/92/26/1032259226.db2.gz BXJSWRDHRDENQV-HXUWFJFHSA-N 0 0 392.547 3.875 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H](C3CC3)C3CCC3)cc2F)C[C@@H](C)O1 ZINC001221184211 1032320851 /nfs/dbraw/zinc/32/08/51/1032320851.db2.gz NGYLTFVHQWLUGC-VTJXTGGHSA-N 0 0 389.515 3.817 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2c3ccccc3OC[C@H]2F)cc1F ZINC001227279864 1032352154 /nfs/dbraw/zinc/35/21/54/1032352154.db2.gz JRVWTZNQUALYFV-XLIONFOSSA-N 0 0 389.446 3.943 20 10 GHCDRN Cn1cc(CCNC(=O)NCc2ccc3c(c2)CCCN3C)c2ccccc21 ZINC001221512383 1032442615 /nfs/dbraw/zinc/44/26/15/1032442615.db2.gz YSKZKLQBDKDXDY-UHFFFAOYSA-N 0 0 376.504 3.603 20 10 GHCDRN COC(=O)c1coc(CNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1 ZINC001221532885 1032451585 /nfs/dbraw/zinc/45/15/85/1032451585.db2.gz RIPGFCNWVFPOTP-UHFFFAOYSA-N 0 0 399.491 3.835 20 10 GHCDRN CC(C)(C)OC(=O)n1ncc2ccc(C(=O)N3CCc4cccc(O)c4C3)cc21 ZINC001155327252 1032505003 /nfs/dbraw/zinc/50/50/03/1032505003.db2.gz IKKXBGGRHDZCKD-UHFFFAOYSA-N 0 0 393.443 3.724 20 10 GHCDRN NC(=O)N=Nc1ccc(C(=O)Nc2ccc(O[C@H]3CCCC[C@H]3O)cc2)cc1 ZINC001155530622 1032572519 /nfs/dbraw/zinc/57/25/19/1032572519.db2.gz MOLXCBFANYGSLR-MSOLQXFVSA-N 0 0 382.420 3.784 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CC(c2cccc(OC)c2)=NO1 ZINC001155704884 1032648837 /nfs/dbraw/zinc/64/88/37/1032648837.db2.gz RTTIDUMSQBWRKR-OAQYLSRUSA-N 0 0 382.460 3.723 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](CO)CCc3ccccc3)ccc21 ZINC001155769925 1032694956 /nfs/dbraw/zinc/69/49/56/1032694956.db2.gz WLNYXALEMZEPKS-OAQYLSRUSA-N 0 0 394.515 3.628 20 10 GHCDRN C[C@@H](Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000777709078 1017572302 /nfs/dbraw/zinc/57/23/02/1017572302.db2.gz VAJPESCNXFSQCK-OAHLLOKOSA-N 0 0 384.505 3.515 20 10 GHCDRN O=C(CCCCC(=O)c1ccc(F)cc1)NCc1ccc(N2CCOCC2)cc1 ZINC000777780753 1017678012 /nfs/dbraw/zinc/67/80/12/1017678012.db2.gz OKFYFNYAQYQUIZ-UHFFFAOYSA-N 0 0 398.478 3.722 20 10 GHCDRN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2cccc(O)c2)C1 ZINC000562470354 1018186996 /nfs/dbraw/zinc/18/69/96/1018186996.db2.gz GMJSBEDBBNNEFK-KRWDZBQOSA-N 0 0 391.515 3.991 20 10 GHCDRN CC(C)OC(=O)N1CCC(Oc2cccc3c2C(=O)c2ccccc2C3=O)CC1 ZINC001228074658 1032765878 /nfs/dbraw/zinc/76/58/78/1032765878.db2.gz STRYMAUUQNADCU-UHFFFAOYSA-N 0 0 393.439 3.850 20 10 GHCDRN COc1cc(Br)cc(CN2CCOC[C@@H]2C2CCCCC2)c1O ZINC001204340052 1032781025 /nfs/dbraw/zinc/78/10/25/1032781025.db2.gz ADLRAKINWAJMQG-MRXNPFEDSA-N 0 0 384.314 3.944 20 10 GHCDRN COc1cc(Br)cc(CN2CCc3ncc(Cl)cc3C2)c1O ZINC001204342097 1032782877 /nfs/dbraw/zinc/78/28/77/1032782877.db2.gz OYPXBKOPJMRYEB-UHFFFAOYSA-N 0 0 383.673 3.770 20 10 GHCDRN COc1cc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc(O)c1O ZINC001204345071 1032785690 /nfs/dbraw/zinc/78/56/90/1032785690.db2.gz GSGJWQNTRHICHI-UHFFFAOYSA-N 0 0 383.275 3.735 20 10 GHCDRN O=C(C[C@H]1CCC[C@@H](C(F)(F)F)O1)NCc1cccc(Br)c1O ZINC000935663664 1019025740 /nfs/dbraw/zinc/02/57/40/1019025740.db2.gz YHDRXNKJLNDRBZ-PWSUYJOCSA-N 0 0 396.203 3.661 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1-c1c(F)cccc1F ZINC000778559359 1019260477 /nfs/dbraw/zinc/26/04/77/1019260477.db2.gz PGSJVCRBSGVOLT-UHFFFAOYSA-N 0 0 396.393 3.935 20 10 GHCDRN CC(C)Cn1ncnc1CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 ZINC000778943500 1020019687 /nfs/dbraw/zinc/01/96/87/1020019687.db2.gz FZNDOQDABLEZBT-UHFFFAOYSA-N 0 0 399.539 3.912 20 10 GHCDRN CC(C)c1c(C(=O)NCc2ccc(O)c(O)c2)cnn1-c1cccc(Cl)c1 ZINC000159056345 1020128250 /nfs/dbraw/zinc/12/82/50/1020128250.db2.gz VIYLIAOXCCVUOE-UHFFFAOYSA-N 0 0 385.851 3.990 20 10 GHCDRN CCCOc1nc2ccccc2cc1/C=C/C(=O)N1C[C@H](O)Cc2ccccc21 ZINC001156172389 1032912054 /nfs/dbraw/zinc/91/20/54/1032912054.db2.gz OHISPOMYBHCCGH-YVNCXZRQSA-N 0 0 388.467 3.987 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCCc1ccc(Br)cc1F ZINC000779485553 1020830899 /nfs/dbraw/zinc/83/08/99/1020830899.db2.gz OQYYXXVEMWDKCA-YWEYNIOJSA-N 0 0 394.240 3.762 20 10 GHCDRN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779489452 1020831770 /nfs/dbraw/zinc/83/17/70/1020831770.db2.gz OXBPRXFFOSZDAI-VURMDHGXSA-N 0 0 395.242 3.515 20 10 GHCDRN CC(C)c1n[nH]cc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000193642471 1020943638 /nfs/dbraw/zinc/94/36/38/1020943638.db2.gz VLSWHHJAZZQQFI-ZDUSSCGKSA-N 0 0 378.423 3.533 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)CCc3cccc(OC)c3F)CC2)cc1 ZINC000795398476 1021048368 /nfs/dbraw/zinc/04/83/68/1021048368.db2.gz YPMBHKKILBULQV-UHFFFAOYSA-N 0 0 386.467 3.514 20 10 GHCDRN COc1ccc(CN2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c(O)c1OC ZINC001204533181 1032955238 /nfs/dbraw/zinc/95/52/38/1032955238.db2.gz CRHBPHAOQTUCSQ-KRWDZBQOSA-N 0 0 381.831 3.775 20 10 GHCDRN Cc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)sc1C=O ZINC001626154221 1021287469 /nfs/dbraw/zinc/28/74/69/1021287469.db2.gz KDTLARWKHQJLRR-ZIAGYGMSSA-N 0 0 390.480 3.552 20 10 GHCDRN O=C(NC1CCC=CCC1)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC001626158418 1021294587 /nfs/dbraw/zinc/29/45/87/1021294587.db2.gz SEZZGXHGPVRNNV-UHFFFAOYSA-N 0 0 390.395 3.599 20 10 GHCDRN C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000800543470 1021318514 /nfs/dbraw/zinc/31/85/14/1021318514.db2.gz CFIWAXUAPZBLEY-CQSZACIVSA-N 0 0 391.309 3.806 20 10 GHCDRN Cc1cc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2C)c(C)n1-c1ccccc1 ZINC000800742451 1021332730 /nfs/dbraw/zinc/33/27/30/1021332730.db2.gz OEGQPSBRGOYYSP-SFHVURJKSA-N 0 0 379.508 3.752 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1)c1cc(Br)c(F)cc1[O-] ZINC000834896671 1021639872 /nfs/dbraw/zinc/63/98/72/1021639872.db2.gz MLRYDPKKLMXHOC-RVPKQNPDSA-N 0 0 398.276 3.598 20 10 GHCDRN CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cccc(Cl)c1[O-] ZINC000834908998 1021670273 /nfs/dbraw/zinc/67/02/73/1021670273.db2.gz HXBDMXSNVIUWGL-CZUORRHYSA-N 0 0 384.904 3.722 20 10 GHCDRN C[C@@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])C(=O)NCCc1ccccc1 ZINC000834912531 1021673997 /nfs/dbraw/zinc/67/39/97/1021673997.db2.gz DECSICHTZIAPOU-ZIAGYGMSSA-N 0 0 380.410 3.809 20 10 GHCDRN COc1cccnc1N(C)C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000677080211 1021794074 /nfs/dbraw/zinc/79/40/74/1021794074.db2.gz YPYRRIJOTYYYLP-UHFFFAOYSA-N 0 0 399.454 3.674 20 10 GHCDRN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC/C=C/c1ccc(N(C)C)cc1 ZINC000835051638 1021817604 /nfs/dbraw/zinc/81/76/04/1021817604.db2.gz LJWDYLDGMPBKNQ-IOUFHMPJSA-N 0 0 379.504 3.796 20 10 GHCDRN Cn1cnc2c1[C@H](COCC1CCCC1)CN(Cc1c([O-])cc(F)cc1F)C2 ZINC001140581606 1022001366 /nfs/dbraw/zinc/00/13/66/1022001366.db2.gz VDGYVESVQYGBGT-HNNXBMFYSA-N 0 0 391.462 3.710 20 10 GHCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001140581340 1022002252 /nfs/dbraw/zinc/00/22/52/1022002252.db2.gz PAAOFBLVXLFOTP-PZJWPPBQSA-N 0 0 390.430 3.516 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC2(C1)CC[NH+](Cc1c([O-])cc(F)cc1F)CC2 ZINC001140582967 1022004657 /nfs/dbraw/zinc/00/46/57/1022004657.db2.gz QZGJKGDSGGUQDV-UHFFFAOYSA-N 0 0 382.451 3.893 20 10 GHCDRN COc1cc2c(c(OC)c1OC)CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)CC2 ZINC001204674756 1033025174 /nfs/dbraw/zinc/02/51/74/1033025174.db2.gz WYOVRVYGAKBWLE-VOTSOKGWSA-N 0 0 396.531 3.892 20 10 GHCDRN Cc1nc(COC[C@@H]2Cn3nccc3C[N@H+](Cc3cc(C)ccc3O)C2)cs1 ZINC001140620418 1022091640 /nfs/dbraw/zinc/09/16/40/1022091640.db2.gz NOJIUKUYXKFLCD-KRWDZBQOSA-N 0 0 398.532 3.511 20 10 GHCDRN Cc1ccc(O)c(CN2CCn3c(COCc4cncc(C)c4)cnc3[C@@H]2C)c1 ZINC001140620681 1022092109 /nfs/dbraw/zinc/09/21/09/1022092109.db2.gz XUSVSHDEFBRUHY-SFHVURJKSA-N 0 0 392.503 3.894 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCC3(CCOCC3)[C@@H]2C)cc1F ZINC000754196125 1022533046 /nfs/dbraw/zinc/53/30/46/1022533046.db2.gz SBBHWZFDFLXVRB-INIZCTEOSA-N 0 0 377.504 3.773 20 10 GHCDRN CC(=O)CCCCCCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000754406679 1022680157 /nfs/dbraw/zinc/68/01/57/1022680157.db2.gz WVXJXDABGOPQSG-QZTJIDSGSA-N 0 0 392.515 3.985 20 10 GHCDRN CCN(CC)c1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H](F)C2)c(O)c1 ZINC001140850410 1022695244 /nfs/dbraw/zinc/69/52/44/1022695244.db2.gz KSYTYCFQYQOCLK-KRWDZBQOSA-N 0 0 395.519 3.629 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N[C@H](CCO)c2cccc(C(F)(F)F)c2)cc1 ZINC000836227045 1022747710 /nfs/dbraw/zinc/74/77/10/1022747710.db2.gz ASGPYFDFDCIGAL-GOSISDBHSA-N 0 0 395.425 3.694 20 10 GHCDRN CO[C@@](C)(CNC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 ZINC000836243487 1022762356 /nfs/dbraw/zinc/76/23/56/1022762356.db2.gz YGUVHUGYHVQDTH-QFIPXVFZSA-N 0 0 399.560 3.601 20 10 GHCDRN Nc1cccc(F)c1CN1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001140878194 1022773652 /nfs/dbraw/zinc/77/36/52/1022773652.db2.gz RFHYMQJAHLBFJT-UHFFFAOYSA-N 0 0 392.478 3.704 20 10 GHCDRN C[C@H](Cc1cnn(C)c1)NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000836259848 1022786811 /nfs/dbraw/zinc/78/68/11/1022786811.db2.gz LVXMGHXJQNPDFW-QGZVFWFLSA-N 0 0 383.540 3.619 20 10 GHCDRN Cc1cc(C(=O)N2CCO[C@@H](CCc3ccccc3)C2)c(C)n1-c1ccccn1 ZINC000754630932 1022801284 /nfs/dbraw/zinc/80/12/84/1022801284.db2.gz HDCHXLOKXVJWBL-NRFANRHFSA-N 0 0 389.499 3.963 20 10 GHCDRN COCCn1c(C)cc(C(=O)CN(Cc2ccc(N(C)C)cc2)C2CC2)c1C ZINC000754669248 1022821696 /nfs/dbraw/zinc/82/16/96/1022821696.db2.gz XAOXHPVDHALMHL-UHFFFAOYSA-N 0 0 383.536 3.665 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CC(C)(C)[C@@H]2c2nccn2C)cc1F ZINC000836291093 1022829651 /nfs/dbraw/zinc/82/96/51/1022829651.db2.gz NWVVRHOFPUMGAY-SFHVURJKSA-N 0 0 387.503 3.698 20 10 GHCDRN COc1cc(C)cc(CN2CCN(c3ncc(Cl)cc3Cl)CC2)c1O ZINC000754728010 1022862305 /nfs/dbraw/zinc/86/23/05/1022862305.db2.gz UTAHPTSDIMFWLF-UHFFFAOYSA-N 0 0 382.291 3.733 20 10 GHCDRN COc1cc(CN2CCN(C(=O)c3ccsc3)CC2)c(O)c(C(C)(C)C)c1 ZINC000754727639 1022863228 /nfs/dbraw/zinc/86/32/28/1022863228.db2.gz LFZDODWELPRJCP-UHFFFAOYSA-N 0 0 388.533 3.718 20 10 GHCDRN CCOC[C@@H]1CN(Cc2ccc(N(C)C)cc2Cl)Cc2cn(CC)nc21 ZINC001140924764 1022900921 /nfs/dbraw/zinc/90/09/21/1022900921.db2.gz UQYLRUBDQSIWCQ-KRWDZBQOSA-N 0 0 376.932 3.758 20 10 GHCDRN CN(C)c1ccc(CNCc2cn(-c3cccc(Cl)c3Cl)nn2)cc1 ZINC000754823142 1022914637 /nfs/dbraw/zinc/91/46/37/1022914637.db2.gz ZVNBDXKWYSFVTQ-UHFFFAOYSA-N 0 0 376.291 3.930 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCn4ccnc43)cc2Cl)C1 ZINC000836443625 1022977323 /nfs/dbraw/zinc/97/73/23/1022977323.db2.gz IIWOFOMQPSGFKC-PBHICJAKSA-N 0 0 387.915 3.717 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000755082481 1023065586 /nfs/dbraw/zinc/06/55/86/1023065586.db2.gz MOUWFZAKJVLDES-UHFFFAOYSA-N 0 0 396.384 3.953 20 10 GHCDRN C/C(=C\c1ccccc1)CN(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000755227939 1023143420 /nfs/dbraw/zinc/14/34/20/1023143420.db2.gz PKLQOMQZALWMED-NBVRZTHBSA-N 0 0 397.494 3.907 20 10 GHCDRN CCOCCOc1cc(C)ccc1CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000755236718 1023147139 /nfs/dbraw/zinc/14/71/39/1023147139.db2.gz DNKSOPWWDOOUBJ-UHFFFAOYSA-N 0 0 399.535 3.818 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(C(F)F)c2Cl)c1 ZINC000755235508 1023147149 /nfs/dbraw/zinc/14/71/49/1023147149.db2.gz KICHOORNUTVTLO-VIFPVBQESA-N 0 0 398.793 3.808 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NC[C@]3(C)CC3(Cl)Cl)CC2)cc1 ZINC000836585904 1023147865 /nfs/dbraw/zinc/14/78/65/1023147865.db2.gz LDTSKJKFOBMNEX-KRWDZBQOSA-N 0 0 386.323 3.547 20 10 GHCDRN C[C@H](CCCC(F)(F)F)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000755300950 1023179839 /nfs/dbraw/zinc/17/98/39/1023179839.db2.gz YMBLIHAPNMCTHH-OAHLLOKOSA-N 0 0 387.446 3.786 20 10 GHCDRN CCOC(=O)CN1c2ccccc2/C(=C/c2cnc(-c3ccccc3)nc2)C1=O ZINC000755410065 1023235638 /nfs/dbraw/zinc/23/56/38/1023235638.db2.gz JPKLJPALVJNZPM-UNOMPAQXSA-N 0 0 385.423 3.594 20 10 GHCDRN CCc1c(NC(=O)NCc2ccc(N3CCOCC3)cc2)cnn1CCC(C)C ZINC000755416573 1023239781 /nfs/dbraw/zinc/23/97/81/1023239781.db2.gz KZFRKZQEGOXUNI-UHFFFAOYSA-N 0 0 399.539 3.650 20 10 GHCDRN Cc1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cn2ccnc12 ZINC000836691283 1023259303 /nfs/dbraw/zinc/25/93/03/1023259303.db2.gz QFWNDWFLSACTQZ-SFHVURJKSA-N 0 0 380.448 3.561 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(C)cc1OCCOC ZINC000756106370 1023524143 /nfs/dbraw/zinc/52/41/43/1023524143.db2.gz IYQAPWCKPKHOIS-UHFFFAOYSA-N 0 0 399.535 3.818 20 10 GHCDRN CSCC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1nnc2ccccn21 ZINC000756364948 1023608283 /nfs/dbraw/zinc/60/82/83/1023608283.db2.gz MFGBZXYEGGXICO-ABAIWWIYSA-N 0 0 378.448 3.858 20 10 GHCDRN C[C@H]([NH2+]CC(C)(C)N1CCOCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756370466 1023613450 /nfs/dbraw/zinc/61/34/50/1023613450.db2.gz IXZQCXSQWAMGKO-NSHDSACASA-N 0 0 391.737 3.570 20 10 GHCDRN C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1cc(Br)cc(F)c1[O-] ZINC000756380137 1023619247 /nfs/dbraw/zinc/61/92/47/1023619247.db2.gz STEAOTQJVSVAKT-NSHDSACASA-N 0 0 395.272 3.846 20 10 GHCDRN C[C@@H]([NH2+]CCCN1CCN(c2ccccc2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756382896 1023622033 /nfs/dbraw/zinc/62/20/33/1023622033.db2.gz GDMWRCFOVHYWAJ-MRXNPFEDSA-N 0 0 375.463 3.533 20 10 GHCDRN C[C@@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1cc(Br)c(F)cc1[O-] ZINC000756391389 1023625835 /nfs/dbraw/zinc/62/58/35/1023625835.db2.gz CCULQFXMXLVCLV-SECBINFHSA-N 0 0 382.233 3.635 20 10 GHCDRN Cc1cccc([C@@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])N2CCOCC2)c1 ZINC000756408436 1023632559 /nfs/dbraw/zinc/63/25/59/1023632559.db2.gz MPAWUADESARYTB-MGPUTAFESA-N 0 0 376.447 3.703 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCc2ccc(Br)s2)c1 ZINC000756457135 1023662088 /nfs/dbraw/zinc/66/20/88/1023662088.db2.gz PFANNWDATNIQQN-JTQLQIEISA-N 0 0 384.295 3.896 20 10 GHCDRN C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1cc(F)cc(F)c1[O-] ZINC000756456367 1023662105 /nfs/dbraw/zinc/66/21/05/1023662105.db2.gz GSUDMNVKPGEOHC-AWEZNQCLSA-N 0 0 376.447 3.730 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)c1 ZINC000756459620 1023662623 /nfs/dbraw/zinc/66/26/23/1023662623.db2.gz NHQOYJPSEAYBNP-CYBMUJFWSA-N 0 0 383.423 3.663 20 10 GHCDRN CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756459613 1023662869 /nfs/dbraw/zinc/66/28/69/1023662869.db2.gz MYHUSUAFBHBHTN-ZDUSSCGKSA-N 0 0 398.475 3.550 20 10 GHCDRN COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756460748 1023663663 /nfs/dbraw/zinc/66/36/63/1023663663.db2.gz RDJNQAOTLMUWQM-MGPLVRAMSA-N 0 0 384.245 3.687 20 10 GHCDRN C[C@@H]([NH2+]CCC(=O)Nc1ccccn1)c1cc(Br)cc(Cl)c1[O-] ZINC000756480584 1023678166 /nfs/dbraw/zinc/67/81/66/1023678166.db2.gz SHDFTPKTQOSLQY-SNVBAGLBSA-N 0 0 398.688 3.883 20 10 GHCDRN C[C@H]([NH2+]CCn1cnc2ccccc21)c1cc(Br)cc(F)c1[O-] ZINC000756483736 1023680282 /nfs/dbraw/zinc/68/02/82/1023680282.db2.gz XDEKCMKMPWTMNB-NSHDSACASA-N 0 0 378.245 3.994 20 10 GHCDRN C[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756526679 1023698276 /nfs/dbraw/zinc/69/82/76/1023698276.db2.gz NALPJSNVJAHUPW-SOUVJXGZSA-N 0 0 393.484 3.987 20 10 GHCDRN C[C@@H]([NH2+]CCOCC1CC1)c1cc(Br)cc(Br)c1[O-] ZINC000756550611 1023710412 /nfs/dbraw/zinc/71/04/12/1023710412.db2.gz JFTGNUUXIGNDJJ-SECBINFHSA-N 0 0 393.119 3.994 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756563824 1023714508 /nfs/dbraw/zinc/71/45/08/1023714508.db2.gz NPIUZSYBROBXBH-KGLIPLIRSA-N 0 0 391.418 3.894 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(COC3CCOCC3)c2)c1 ZINC000756568163 1023715781 /nfs/dbraw/zinc/71/57/81/1023715781.db2.gz CVSRPOCHEQMKNS-MRXNPFEDSA-N 0 0 399.487 3.725 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](c2ccc(Cl)cc2)N(C)C)c1 ZINC000756629610 1023745430 /nfs/dbraw/zinc/74/54/30/1023745430.db2.gz QMQKMEOYDNQALO-FZKQIMNGSA-N 0 0 376.884 3.786 20 10 GHCDRN C[C@@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])[C@H](O)Cc1ccccc1 ZINC000756758875 1023802694 /nfs/dbraw/zinc/80/26/94/1023802694.db2.gz GWIVSMALWCIYRS-XWCIJXRUSA-N 0 0 382.273 3.937 20 10 GHCDRN C[C@H](CO)CCC[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000756786186 1023814835 /nfs/dbraw/zinc/81/48/35/1023814835.db2.gz YMBRDSXETXBZKE-UWVGGRQHSA-N 0 0 395.135 3.976 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCc2nc(-c3ccccc3)ncc2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756819016 1023826188 /nfs/dbraw/zinc/82/61/88/1023826188.db2.gz BCWOBGPQHUDPRK-PBHICJAKSA-N 0 0 390.443 3.966 20 10 GHCDRN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCc2c(O)ccc3c2CCCC3)c1F ZINC000830558755 1023984478 /nfs/dbraw/zinc/98/44/78/1023984478.db2.gz ARMTYSCAGQVJNW-UHFFFAOYSA-N 0 0 376.359 3.696 20 10 GHCDRN Cc1cc(CC(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)c(C)n1-c1ccccc1 ZINC000830577130 1023995651 /nfs/dbraw/zinc/99/56/51/1023995651.db2.gz PHOZMBOHTXBUJN-DENIHFKCSA-N 0 0 384.545 3.808 20 10 GHCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc2c(c1)CCN2 ZINC000830665232 1024054870 /nfs/dbraw/zinc/05/48/70/1024054870.db2.gz RLCPOCCBSOIOJM-INIZCTEOSA-N 0 0 387.430 3.655 20 10 GHCDRN [O-]c1c(F)cccc1C[NH+]1CC(c2ncn3cc(Br)ccc23)C1 ZINC001138128475 1024177797 /nfs/dbraw/zinc/17/77/97/1024177797.db2.gz MMWPMSKWHNJOBP-UHFFFAOYSA-N 0 0 376.229 3.541 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)NC[Si](C)(C)c3ccccc3)ccc21 ZINC001138130297 1024180667 /nfs/dbraw/zinc/18/06/67/1024180667.db2.gz RJHGZDQPUIGKSN-UHFFFAOYSA-N 0 0 394.591 3.789 20 10 GHCDRN Cc1cc(CC(=O)N(C)[C@@H]2CCCc3c2cnn3C)c(C)n1-c1ccccc1 ZINC000830862940 1024201169 /nfs/dbraw/zinc/20/11/69/1024201169.db2.gz GYKXQKNIKQVDLV-OAQYLSRUSA-N 0 0 376.504 3.906 20 10 GHCDRN O=C(COCc1cccc(Cl)c1)NCc1ccc(N2CCSCC2)cc1 ZINC000837349778 1024368877 /nfs/dbraw/zinc/36/88/77/1024368877.db2.gz SRKMXAUSQIHGLP-UHFFFAOYSA-N 0 0 390.936 3.726 20 10 GHCDRN COc1ccc(N(C)CCN(C)c2nnc([C@@H]3CCCCO3)n2CC2CC2)cc1 ZINC000831131225 1024372977 /nfs/dbraw/zinc/37/29/77/1024372977.db2.gz KKGPCVFBYPUKCS-FQEVSTJZSA-N 0 0 399.539 3.511 20 10 GHCDRN COc1ccccc1-c1nnc(NC(=O)c2ccc(N=NC(N)=O)cc2)s1 ZINC001141284410 1024399258 /nfs/dbraw/zinc/39/92/58/1024399258.db2.gz YVYWVWJFOLHVEF-UHFFFAOYSA-N 0 0 382.405 3.628 20 10 GHCDRN C[C@H](CC(F)(F)F)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000837441460 1024462671 /nfs/dbraw/zinc/46/26/71/1024462671.db2.gz XHYPAGSGGSKFMA-VXGBXAGGSA-N 0 0 380.357 3.962 20 10 GHCDRN CSCCCCC(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000837535806 1024533224 /nfs/dbraw/zinc/53/32/24/1024533224.db2.gz LHSOMHUGWUVEFY-UHFFFAOYSA-N 0 0 378.469 3.887 20 10 GHCDRN COCCC[C@@H](C)C(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C ZINC000837620626 1024591097 /nfs/dbraw/zinc/59/10/97/1024591097.db2.gz QWWJMCKFXFEISF-CYBMUJFWSA-N 0 0 392.883 3.931 20 10 GHCDRN Cc1c(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cnc2ccccc12 ZINC000837707588 1024650402 /nfs/dbraw/zinc/65/04/02/1024650402.db2.gz NNVTYZCRPYNCSK-UHFFFAOYSA-N 0 0 397.425 3.588 20 10 GHCDRN COc1ccc(N(CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC2CC2)cc1 ZINC000831583308 1024663151 /nfs/dbraw/zinc/66/31/51/1024663151.db2.gz WAXSNUCRYPZQKD-FQEVSTJZSA-N 0 0 393.531 3.554 20 10 GHCDRN COc1ccc(N(Cc2noc(CNC(=O)OC(C)(C)C)n2)CC2CC2)cc1 ZINC000831587689 1024666113 /nfs/dbraw/zinc/66/61/13/1024666113.db2.gz GXGFFWCVUVJJOR-UHFFFAOYSA-N 0 0 388.468 3.520 20 10 GHCDRN COC(=O)CC1CC[NH+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141367872 1024741683 /nfs/dbraw/zinc/74/16/83/1024741683.db2.gz UZQFXHLFIPLQEH-UHFFFAOYSA-N 0 0 376.678 3.583 20 10 GHCDRN CCOc1ccc(N2CCN(Cc3ccncc3NC(=O)C(C)(C)C)CC2)cc1 ZINC001138459340 1024885868 /nfs/dbraw/zinc/88/58/68/1024885868.db2.gz NDNYMVZDHPAYCN-UHFFFAOYSA-N 0 0 396.535 3.787 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(N(C)C)cc(C(F)(F)F)c1 ZINC000831924970 1025025318 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CC(C)NC(=O)[C@@H]1C[C@H]2OCC[N@H+](Cc3cccc(-c4ccccc4)c3O)[C@@H]2C1 ZINC001234996246 1040490239 /nfs/dbraw/zinc/49/02/39/1040490239.db2.gz XOPIKOSZZVQOLB-KSEOMHKRSA-N 0 0 394.515 3.563 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1CN1CC(F)(F)CC12CC[NH2+]CC2 ZINC001235133359 1040627734 /nfs/dbraw/zinc/62/77/34/1040627734.db2.gz VLAHPIDXHKFVKO-UHFFFAOYSA-N 0 0 395.675 3.771 20 10 GHCDRN O=C1c2ccccc2[C@@H]2C[N@H+](Cc3cc(F)cc(Br)c3[O-])C[C@H]12 ZINC001235294847 1040766455 /nfs/dbraw/zinc/76/64/55/1040766455.db2.gz RFDYBGYZXFLQBE-GJZGRUSLSA-N 0 0 376.225 3.706 20 10 GHCDRN COc1ccc(C[N@H+](C)Cc2cc(F)cc(Br)c2[O-])c(OC)c1 ZINC001235304131 1040779003 /nfs/dbraw/zinc/77/90/03/1040779003.db2.gz RHJGRARLCXAUJP-UHFFFAOYSA-N 0 0 384.245 3.943 20 10 GHCDRN [O-]c1c(Br)cc(F)cc1C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001235309997 1040783944 /nfs/dbraw/zinc/78/39/44/1040783944.db2.gz ZTOHYFUMWLTDIE-GASCZTMLSA-N 0 0 391.284 3.862 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(NC(=O)C2CC2)cc1)c1ccc(N(C)C)cc1 ZINC001255139097 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GDSBRPVNMBGYIO-STQMWFEESA-N 0 0 384.332 3.719 20 10 GHCDRN O=C1NCC[C@]12C[N@H+](Cc1cc(Cl)c(Cl)cc1[O-])C[C@H]2c1ccccc1 ZINC001236794151 1041897808 /nfs/dbraw/zinc/89/78/08/1041897808.db2.gz SOMVZYLQPIGZAT-MGPUTAFESA-N 0 0 391.298 3.805 20 10 GHCDRN COc1cc(O)c(CN2CCN(c3nsc4ccccc43)CC2)c(Cl)c1 ZINC001236796670 1041900686 /nfs/dbraw/zinc/90/06/86/1041900686.db2.gz XPIXGVJTRBDGAT-UHFFFAOYSA-N 0 0 389.908 3.986 20 10 GHCDRN COc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCC(C)C)CC[C@H]32)c([O-])c1Cl ZINC001236803197 1041904969 /nfs/dbraw/zinc/90/49/69/1041904969.db2.gz HPYMCHVMGMEPCD-BRWVUGGUSA-N 0 0 383.916 3.849 20 10 GHCDRN COc1cc(C)c(C[N@H+](Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)c(O)c1 ZINC001236810785 1041910330 /nfs/dbraw/zinc/91/03/30/1041910330.db2.gz JCTKTXMKBHTMSI-NHCUHLMSSA-N 0 0 396.487 3.695 20 10 GHCDRN COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C)c([O-])c1Cl ZINC001236809768 1041910566 /nfs/dbraw/zinc/91/05/66/1041910566.db2.gz OGHPMFVVTKYKNR-GXTWGEPZSA-N 0 0 384.904 3.932 20 10 GHCDRN Fc1ccc(OC2CN(Cc3ccc(N4CCOCC4)cc3Cl)C2)cc1F ZINC001236926505 1041961524 /nfs/dbraw/zinc/96/15/24/1041961524.db2.gz IBDYHLYFORJBLO-UHFFFAOYSA-N 0 0 394.849 3.718 20 10 GHCDRN CC(C)(C)OC(=O)O[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236928115 1041962329 /nfs/dbraw/zinc/96/23/29/1041962329.db2.gz HZMSBWQFRAUXEX-KRWDZBQOSA-N 0 0 396.915 3.703 20 10 GHCDRN CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c([O-])cc(Br)cc1F ZINC001278043068 1041997019 /nfs/dbraw/zinc/99/70/19/1041997019.db2.gz CRXJZNDOGNIAKR-IUIKQTSFSA-N 0 0 399.304 3.658 20 10 GHCDRN CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(OCC)cc2O)C[C@H]1c1ccccc1 ZINC001237043164 1042002862 /nfs/dbraw/zinc/00/28/62/1042002862.db2.gz MAAAYZKPLDPHQL-SFTDATJTSA-N 0 0 383.488 3.960 20 10 GHCDRN COc1cc(O)c(CN2CCN(c3cccc(C)c3)CC2)c(Br)c1 ZINC001237058493 1042012655 /nfs/dbraw/zinc/01/26/55/1042012655.db2.gz ABBZLVOVFRGNIF-UHFFFAOYSA-N 0 0 391.309 3.794 20 10 GHCDRN Oc1ccc(C(F)(F)F)cc1CN1CC[C@@H](n2cc(Br)cn2)C1 ZINC001237145000 1042062987 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378.806 3.810 20 10 GHCDRN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001237623169 1042289710 /nfs/dbraw/zinc/28/97/10/1042289710.db2.gz JECRPLRZHVLIPW-SFHVURJKSA-N 0 0 378.875 3.518 20 10 GHCDRN Cc1cc(Cl)cc(CN2Cc3nn(C)cc3[C@H](COCC3CC3)C2)c1O ZINC001237678591 1042319668 /nfs/dbraw/zinc/31/96/68/1042319668.db2.gz CPEQNATXQWFWBE-INIZCTEOSA-N 0 0 375.900 3.614 20 10 GHCDRN [O-]c1c(I)cccc1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001237776489 1042364236 /nfs/dbraw/zinc/36/42/36/1042364236.db2.gz AVCLLSSUIZIDEB-OAHLLOKOSA-N 0 0 395.240 3.650 20 10 GHCDRN [O-]c1c(I)cccc1C[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001237786168 1042368977 /nfs/dbraw/zinc/36/89/77/1042368977.db2.gz MNPZNLYBQANRKT-LLVKDONJSA-N 0 0 385.167 3.566 20 10 GHCDRN Cn1cc(C[N@@H+]2CCCC23CCN(Cc2cc(F)cc(Cl)c2[O-])CC3)cn1 ZINC001237800009 1042376610 /nfs/dbraw/zinc/37/66/10/1042376610.db2.gz LRWYASKPSBORJG-UHFFFAOYSA-N 0 0 392.906 3.549 20 10 GHCDRN O=C1c2cccc(F)c2CN1[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C1 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CSHKYKXXHGRVBJ-SFHVURJKSA-N 0 0 387.499 3.879 20 10 GHCDRN Cc1cc(F)cc(CN2CCCn3cnc(COCc4ccco4)c3C2)c1O ZINC001238063194 1042479748 /nfs/dbraw/zinc/47/97/48/1042479748.db2.gz YMGOENAOSTVSTH-UHFFFAOYSA-N 0 0 385.439 3.752 20 10 GHCDRN Cc1c(C)n(Cc2ccco2)c2ncnc(-c3cnn(Cc4ccncc4)c3)c12 ZINC001239041275 1042761081 /nfs/dbraw/zinc/76/10/81/1042761081.db2.gz SMZMMRFZNKTADU-UHFFFAOYSA-N 0 0 384.443 3.996 20 10 GHCDRN COc1ccc(Cn2cc(-c3ccn(Cc4cccnc4)c(=O)c3)c(C)n2)cc1 ZINC001240658963 1042949045 /nfs/dbraw/zinc/94/90/45/1042949045.db2.gz OMZDPMIIVBWBHM-UHFFFAOYSA-N 0 0 386.455 3.520 20 10 GHCDRN CC(C)(CNC(=O)c1cc2cc(O)c(O)cc2s1)c1ccc2c(c1)OCO2 ZINC001292216709 1043631260 /nfs/dbraw/zinc/63/12/60/1043631260.db2.gz JXCSLYUISTZAFO-UHFFFAOYSA-N 0 0 385.441 3.749 20 10 GHCDRN c1ccn(-c2ccc(-c3nnc([C@H](c4ccccc4)N4CCOCC4)o3)cc2)c1 ZINC001256966141 1043775888 /nfs/dbraw/zinc/77/58/88/1043775888.db2.gz UQSLFTDCCJRFHM-NRFANRHFSA-N 0 0 386.455 3.949 20 10 GHCDRN O=C(NCc1nc(-c2ccncc2)cs1)c1cc2cc(O)c(O)cc2s1 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/nfs/dbraw/zinc/73/15/68/1050731568.db2.gz JMHNYKCDOAYUQX-UHFFFAOYSA-N 0 0 375.266 3.889 20 10 GHCDRN COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccccc1O ZINC001309768796 1050964865 /nfs/dbraw/zinc/96/48/65/1050964865.db2.gz JERLKBXKKZJAQZ-ZDUSSCGKSA-N 0 0 399.896 3.500 20 10 GHCDRN O=C([O-])C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000756390678 1051071725 /nfs/dbraw/zinc/07/17/25/1051071725.db2.gz VSRDQLILAVKVAS-GAWOJFTKSA-N 0 0 398.547 3.673 20 10 GHCDRN COC(=O)COc1ccc(NC(=O)NCc2cccc(Cl)c2O)cc1Cl ZINC001310456469 1051369964 /nfs/dbraw/zinc/36/99/64/1051369964.db2.gz QZGOBATXXJBCEP-UHFFFAOYSA-N 0 0 399.230 3.573 20 10 GHCDRN CC(C)c1noc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC001310851783 1051651427 /nfs/dbraw/zinc/65/14/27/1051651427.db2.gz USNVAQDBPLRWLK-LBPRGKRZSA-N 0 0 395.410 3.585 20 10 GHCDRN CC[C@H]1COC(C)(C)CN1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001310898175 1051687442 /nfs/dbraw/zinc/68/74/42/1051687442.db2.gz FHDVREFTGAGZMN-HNNXBMFYSA-N 0 0 379.464 3.818 20 10 GHCDRN COc1ccc(N2CCN(C(=O)N[C@@H](C(F)F)C3CCCCC3)CC2)cc1 ZINC001311014998 1051773162 /nfs/dbraw/zinc/77/31/62/1051773162.db2.gz BYVUFKSISKCKGV-GOSISDBHSA-N 0 0 381.467 3.741 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)Nc3cc(C)cc([N+](=O)[O-])c3)C2)cc1 ZINC001311322396 1052019426 /nfs/dbraw/zinc/01/94/26/1052019426.db2.gz HNZOJAFWCOKBCR-OAHLLOKOSA-N 0 0 384.436 3.560 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)/C=C\c3ccc4[nH]ccc4c3)CC2)cc1 ZINC001335481213 1052113216 /nfs/dbraw/zinc/11/32/16/1052113216.db2.gz GQLCLIVBPMBYSH-WMZJFQQLSA-N 0 0 375.472 3.929 20 10 GHCDRN COC(=O)[C@@H](CC(F)F)NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl ZINC001336206005 1052239759 /nfs/dbraw/zinc/23/97/59/1052239759.db2.gz YURCQOQPLOVXAF-OAHLLOKOSA-N 0 0 384.810 3.674 20 10 GHCDRN Nc1ccc(N(C(=O)C(=O)Nc2cnc(F)c(Cl)c2)C2CCCCC2)cc1 ZINC001336692409 1052305684 /nfs/dbraw/zinc/30/56/84/1052305684.db2.gz IWAQTJLLWQXSEC-UHFFFAOYSA-N 0 0 390.846 3.761 20 10 GHCDRN CN1CCCc2cc(CNC(=O)N3CCCC[C@H](C4CCOCC4)C3)ccc21 ZINC001311727676 1052359253 /nfs/dbraw/zinc/35/92/53/1052359253.db2.gz NVNAWAQAGKZEJM-NRFANRHFSA-N 0 0 385.552 3.807 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CC2CCC1CC2 ZINC001337130381 1052404598 /nfs/dbraw/zinc/40/45/98/1052404598.db2.gz HNXRTFNTOJQWFR-UHFFFAOYSA-N 0 0 397.441 3.626 20 10 GHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CC2CCC1CC2 ZINC001337148401 1052410345 /nfs/dbraw/zinc/41/03/45/1052410345.db2.gz NJUFKINAYSCWDR-ISXOHVOVSA-N 0 0 379.451 3.841 20 10 GHCDRN COc1ccc([C@H](C)CCNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC001311978203 1052510231 /nfs/dbraw/zinc/51/02/31/1052510231.db2.gz KLZQQWGTYCZQEU-MJGOQNOKSA-N 0 0 397.519 3.776 20 10 GHCDRN COCC(C)(C)CCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001312138244 1052592895 /nfs/dbraw/zinc/59/28/95/1052592895.db2.gz MZTJEDIVUIOSJF-HNNXBMFYSA-N 0 0 399.482 3.619 20 10 GHCDRN COc1ccc(C[C@@H](C)CNC(=O)NCc2cc(Cl)ccc2O)cc1OC ZINC001312412710 1052733477 /nfs/dbraw/zinc/73/34/77/1052733477.db2.gz MLIPUTMPYXSXKV-CYBMUJFWSA-N 0 0 392.883 3.741 20 10 GHCDRN COc1ccc(CNC(=O)NC/C=C\c2ccc(Br)cc2)c(O)c1 ZINC001312754638 1052858795 /nfs/dbraw/zinc/85/87/95/1052858795.db2.gz GVBUDFRUPUMCEW-IHWYPQMZSA-N 0 0 391.265 3.676 20 10 GHCDRN CCON(Cc1ccccc1)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001312903301 1052906856 /nfs/dbraw/zinc/90/68/56/1052906856.db2.gz WTTMGEZTSXTDEC-LJQANCHMSA-N 0 0 383.492 3.685 20 10 GHCDRN Cc1cc(CCNC(=O)N2CCOCC3(CCC3)C2)c(C)n1-c1ccccc1 ZINC001313099749 1052957257 /nfs/dbraw/zinc/95/72/57/1052957257.db2.gz GNYBAZSCZYPHGN-UHFFFAOYSA-N 0 0 381.520 3.849 20 10 GHCDRN C[C@@H](NC(=O)N[C@@H](c1nccn1C)c1ccc(F)cc1F)c1ccccc1O ZINC001313392752 1053041199 /nfs/dbraw/zinc/04/11/99/1053041199.db2.gz XXWPXSDWBAGXRO-KZULUSFZSA-N 0 0 386.402 3.554 20 10 GHCDRN CCOCCCn1c([C@@H]2CCCC2(F)F)nnc1N(C)Cc1ccccc1O ZINC001342439256 1053169646 /nfs/dbraw/zinc/16/96/46/1053169646.db2.gz IVUOZQMZHCWQOG-INIZCTEOSA-N 0 0 394.466 3.950 20 10 GHCDRN CCn1c(C2SC(c3ccccc3)=CC2=O)nnc1N1CCC(CO)CC1 ZINC001342643562 1053281398 /nfs/dbraw/zinc/28/13/98/1053281398.db2.gz UCTYIGCWUUJGSB-UHFFFAOYSA-N 0 0 384.505 3.608 20 10 GHCDRN CCOCc1nnc(N2C[C@H](C)CC[C@H]2C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001314323460 1053413666 /nfs/dbraw/zinc/41/36/66/1053413666.db2.gz SDBUMQTYYXBCKI-HZPDHXFCSA-N 0 0 389.519 3.693 20 10 GHCDRN CCOCc1nnc(N2C[C@@H](C)CC[C@H]2C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001314323461 1053413997 /nfs/dbraw/zinc/41/39/97/1053413997.db2.gz SDBUMQTYYXBCKI-JKSUJKDBSA-N 0 0 389.519 3.693 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-c2ccc(Cl)cc2)nn1C ZINC001342892467 1053415945 /nfs/dbraw/zinc/41/59/45/1053415945.db2.gz HIPIKJBIXXBZFO-LBPRGKRZSA-N 0 0 385.851 3.513 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccco1 ZINC001314750008 1053587372 /nfs/dbraw/zinc/58/73/72/1053587372.db2.gz GHVSYMIBVKOOSW-UHFFFAOYSA-N 0 0 395.850 3.977 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)CSCc2csc(C)n2)cc1F ZINC001318345379 1054578839 /nfs/dbraw/zinc/57/88/39/1054578839.db2.gz YKYDCDFOKYYKIK-UHFFFAOYSA-N 0 0 381.542 3.986 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC[C@@H](N3CCCC3=O)C2)c1 ZINC001318391493 1054606771 /nfs/dbraw/zinc/60/67/71/1054606771.db2.gz VDUHKPQLBGGTOH-GOSISDBHSA-N 0 0 399.922 3.975 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@H]2CNc2cccc(C)n2)c(C)n1-c1ccccn1 ZINC001318600946 1054743741 /nfs/dbraw/zinc/74/37/41/1054743741.db2.gz ZJUSAMHOQURKAJ-IBGZPJMESA-N 0 0 389.503 3.909 20 10 GHCDRN COc1cccc(N2C(=O)C(=Cc3ccc(N4CCCC4)cc3)NC2=S)c1 ZINC001318716219 1054817672 /nfs/dbraw/zinc/81/76/72/1054817672.db2.gz ASBUFJVTCYDISN-UYRXBGFRSA-N 0 0 379.485 3.558 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc([C@H]2CCC[C@H](O)C2)n1Cc1cccs1 ZINC001344970134 1054831956 /nfs/dbraw/zinc/83/19/56/1054831956.db2.gz QOZFYKVEZZHTPL-RDJZCZTQSA-N 0 0 398.532 3.748 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cccc(S(=O)(=O)CC)c1 ZINC001318767865 1054858404 /nfs/dbraw/zinc/85/84/04/1054858404.db2.gz QSHFKYSTADHIKA-UHFFFAOYSA-N 0 0 376.478 3.630 20 10 GHCDRN O=C1C=CSC1c1nnc(N(CC(F)F)C2CCC2)n1C[C@@H]1CCCO1 ZINC001345279371 1054970257 /nfs/dbraw/zinc/97/02/57/1054970257.db2.gz VKIACKJOVPIYFM-LBPRGKRZSA-N 0 0 384.452 3.515 20 10 GHCDRN OCC1CCN(c2ccc(CNc3nc(C4CC4)nc4c3CCC4)cc2)CC1 ZINC001319297792 1055164329 /nfs/dbraw/zinc/16/43/29/1055164329.db2.gz CEABVJRSABITMF-UHFFFAOYSA-N 0 0 378.520 3.664 20 10 GHCDRN Cc1cc(NCc2ccc(N3CCN(C)CC3)c(F)c2)ncc1Br ZINC001319873317 1055515727 /nfs/dbraw/zinc/51/57/27/1055515727.db2.gz IYKKMGBIJVUYPZ-UHFFFAOYSA-N 0 0 393.304 3.656 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cncc(OCC(F)F)c1 ZINC001319879808 1055519641 /nfs/dbraw/zinc/51/96/41/1055519641.db2.gz OBUCPEGKRZALNM-UHFFFAOYSA-N 0 0 389.446 3.988 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(NC(C)=O)cn3)c2C)cc1 ZINC001320073529 1055637882 /nfs/dbraw/zinc/63/78/82/1055637882.db2.gz DPQNWCCLHSJUQV-UHFFFAOYSA-N 0 0 378.432 3.708 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[C@@H]1CCC2(CCOCC2)CO1 ZINC001353920112 1056131270 /nfs/dbraw/zinc/13/12/70/1056131270.db2.gz NJURVUCZRDFBFN-NRFANRHFSA-N 0 0 386.536 3.611 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccc(NC(=O)OC(C)(C)C)n2)c1 ZINC001321300880 1056215981 /nfs/dbraw/zinc/21/59/81/1056215981.db2.gz XCVYIRSWGWGGEU-LBPRGKRZSA-N 0 0 387.436 3.634 20 10 GHCDRN O=C(Cc1ccc(Cl)cn1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001354114429 1056348533 /nfs/dbraw/zinc/34/85/33/1056348533.db2.gz VDRFGWLIYJQUPP-UHFFFAOYSA-N 0 0 376.799 3.692 20 10 GHCDRN COC[C@H]1CN(C(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)C[C@@H](C)O1 ZINC001321656331 1056353430 /nfs/dbraw/zinc/35/34/30/1056353430.db2.gz NKUNMBVLRCJYQL-NVXWUHKLSA-N 0 0 376.884 3.623 20 10 GHCDRN Cc1ccn(-c2ccc(NCc3ccc(N4CCN(C)CC4)c(F)c3)cc2)n1 ZINC001321687360 1056361061 /nfs/dbraw/zinc/36/10/61/1056361061.db2.gz ACQXQIJYMUCNES-UHFFFAOYSA-N 0 0 379.483 3.684 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)Cc1nnc(-c2ccccc2)n1C ZINC000848046515 1056488232 /nfs/dbraw/zinc/48/82/32/1056488232.db2.gz VSTVRVJFWWYREX-UHFFFAOYSA-N 0 0 378.476 3.559 20 10 GHCDRN CCS(=O)(=O)c1ccc(-c2nnc(C3=S=C4CCCCCC4=C3)o2)cc1 ZINC001322467899 1056718186 /nfs/dbraw/zinc/71/81/86/1056718186.db2.gz HNKZSFFQENNHGB-UHFFFAOYSA-N 0 0 388.514 3.860 20 10 GHCDRN C[C@H](OC1CCCCC1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC001322848418 1056866583 /nfs/dbraw/zinc/86/65/83/1056866583.db2.gz DFKJXOIEOVNPDR-BBWFWOEESA-N 0 0 392.515 3.793 20 10 GHCDRN CCOc1ccc(N2CCN([C@H](C)C(=O)Nc3ccc(C)cc3F)CC2)cc1 ZINC001323177233 1056934144 /nfs/dbraw/zinc/93/41/44/1056934144.db2.gz LMDCGYWLDUSXOQ-QGZVFWFLSA-N 0 0 385.483 3.682 20 10 GHCDRN O=C(N[C@@H]1CCCC(F)(F)C1)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC001323200460 1056937381 /nfs/dbraw/zinc/93/73/81/1056937381.db2.gz JUPPPLMFENYCAF-MRXNPFEDSA-N 0 0 394.462 3.748 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CC4CCC3CC4)cc2F)C[C@@H](C)O1 ZINC001323377487 1056960650 /nfs/dbraw/zinc/96/06/50/1056960650.db2.gz WAPMASIXCBBFOU-RSIVFMTNSA-N 0 0 375.488 3.523 20 10 GHCDRN CN1CCN(c2ccc(CNc3ccc(OCC(F)F)cc3)cc2F)CC1 ZINC001323511380 1056979757 /nfs/dbraw/zinc/97/97/57/1056979757.db2.gz MXEQXSBVQLTOAF-UHFFFAOYSA-N 0 0 379.426 3.834 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2cnc(OCc3ccccc3)cn2)cc1 ZINC001355014849 1057018982 /nfs/dbraw/zinc/01/89/82/1057018982.db2.gz GFYPXJRKLFSRMY-UHFFFAOYSA-N 0 0 390.487 3.832 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(C(=O)OC(C)(C)C)cn2)cc1 ZINC001355016356 1057019502 /nfs/dbraw/zinc/01/95/02/1057019502.db2.gz VPCPGUXCZFOAFG-UHFFFAOYSA-N 0 0 383.492 3.813 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)[C@H](C)CSC(F)(F)F)CC2)cc1 ZINC001355031198 1057026048 /nfs/dbraw/zinc/02/60/48/1057026048.db2.gz LGCVQKXCVWNKET-CYBMUJFWSA-N 0 0 376.444 3.623 20 10 GHCDRN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccccc2)c1O ZINC000848550063 1057171750 /nfs/dbraw/zinc/17/17/50/1057171750.db2.gz BIELWDWARBEDCN-PRXAMGSTSA-N 0 0 380.282 3.936 20 10 GHCDRN CCOc1ccc(N2CCN(Cc3ccc(Oc4ccccc4)nn3)CC2)cc1 ZINC001324644670 1057188714 /nfs/dbraw/zinc/18/87/14/1057188714.db2.gz NZLIMZQECDDXBB-UHFFFAOYSA-N 0 0 390.487 3.990 20 10 GHCDRN CC(C)[C@@H]1C[C@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CCO1 ZINC001355506431 1057190912 /nfs/dbraw/zinc/19/09/12/1057190912.db2.gz GAZCRWPIUAINPI-VLIAUNLRSA-N 0 0 377.440 3.852 20 10 GHCDRN O=C([O-])C[N@H+](Cc1ccc(N2CCCCC2)c(Br)c1)C1CCC1 ZINC000848639353 1057218359 /nfs/dbraw/zinc/21/83/59/1057218359.db2.gz IJOQOHCZDPGIFE-UHFFFAOYSA-N 0 0 381.314 3.879 20 10 GHCDRN Cc1nc([C@@H](C)NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)no1 ZINC001324917184 1057247916 /nfs/dbraw/zinc/24/79/16/1057247916.db2.gz XEZIVGFHATZLPE-CHWSQXEVSA-N 0 0 391.903 3.828 20 10 GHCDRN CC[C@@H](C)NC(=O)CCNC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl ZINC001325093125 1057274616 /nfs/dbraw/zinc/27/46/16/1057274616.db2.gz CDFMCVPXZXTOTI-CYBMUJFWSA-N 0 0 375.900 3.782 20 10 GHCDRN O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N[C@@H]1C=CCCC1 ZINC001355842977 1057290874 /nfs/dbraw/zinc/29/08/74/1057290874.db2.gz CBAUGZRCYDQTOE-WMJYUBJYSA-N 0 0 390.505 3.642 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OC[C@@H]2CCCS(=O)(=O)C2)c1 ZINC001325725956 1057355686 /nfs/dbraw/zinc/35/56/86/1057355686.db2.gz NGQGWJMVDQUHRR-HNNXBMFYSA-N 0 0 395.908 3.729 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)NC2CCC3(CCOCC3)CC2)cc1 ZINC001326475904 1057491426 /nfs/dbraw/zinc/49/14/26/1057491426.db2.gz MBGDPHHBKCEFLV-UHFFFAOYSA-N 0 0 389.540 3.512 20 10 GHCDRN CC/C(=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 ZINC001356445596 1057515488 /nfs/dbraw/zinc/51/54/88/1057515488.db2.gz KDJVSZDOSHHJKM-ZCXUNETKSA-N 0 0 380.488 3.846 20 10 GHCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cc2c(cc1Cl)NC(=O)C2 ZINC001326770793 1057555196 /nfs/dbraw/zinc/55/51/96/1057555196.db2.gz GPZHDRLBPCATSS-UHFFFAOYSA-N 0 0 383.879 3.755 20 10 GHCDRN C[C@H](Nc1ccc(CCC(N)=O)cc1)c1cc(Br)cc(F)c1O ZINC001337799057 1058268026 /nfs/dbraw/zinc/26/80/26/1058268026.db2.gz IOPLNIINENTZJF-JTQLQIEISA-N 0 0 381.245 3.885 20 10 GHCDRN O=C(NCCNc1ncc(Cl)cc1Cl)c1cc2cc(O)c(O)cc2s1 ZINC001441465525 1058787563 /nfs/dbraw/zinc/78/75/63/1058787563.db2.gz IDRUIVVUDDZERK-UHFFFAOYSA-N 0 0 398.271 3.856 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(Cl)cc(Cl)c1F ZINC001442232356 1058936860 /nfs/dbraw/zinc/93/68/60/1058936860.db2.gz IJXFDEKQMGCKIT-UHFFFAOYSA-N 0 0 383.250 3.899 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(C)CCCN1C(=O)OC(C)(C)C ZINC001442344101 1058950259 /nfs/dbraw/zinc/95/02/59/1058950259.db2.gz RZZMLUKERVZOCV-JOCHJYFZSA-N 0 0 389.540 3.891 20 10 GHCDRN CN(c1ccc(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)cc1)C1CCCCC1 ZINC001442447177 1058962897 /nfs/dbraw/zinc/96/28/97/1058962897.db2.gz JJBGQRXOPIOHMP-UHFFFAOYSA-N 0 0 392.503 3.978 20 10 GHCDRN CC[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001442473331 1058965540 /nfs/dbraw/zinc/96/55/40/1058965540.db2.gz KKEBEMPXAHNDMN-RHSMWYFYSA-N 0 0 395.519 3.837 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)NCc3ccccc3N(C)C)ccc21 ZINC001442551341 1058975523 /nfs/dbraw/zinc/97/55/23/1058975523.db2.gz WMFSAIIIPLNIQY-UHFFFAOYSA-N 0 0 379.504 3.901 20 10 GHCDRN CCn1c(C2SC=CC2=O)nnc1N1CC[C@@H](Cc2nc(C)cs2)C1 ZINC001339247798 1059038481 /nfs/dbraw/zinc/03/84/81/1059038481.db2.gz PKLBKZOJJHCJRN-LBPRGKRZSA-N 0 0 375.523 3.566 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1059982351 /nfs/dbraw/zinc/98/23/51/1059982351.db2.gz OCDOLPACUHPLSG-AWEZNQCLSA-N 0 0 392.455 3.679 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)c3cc(C)nc4ccccc43)CC2)cc1 ZINC001340943537 1060271433 /nfs/dbraw/zinc/27/14/33/1060271433.db2.gz DBXHINKNZGNHDB-UHFFFAOYSA-N 0 0 375.472 3.904 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccsc1NC(=O)c1ccco1 ZINC001449122726 1060334454 /nfs/dbraw/zinc/33/44/54/1060334454.db2.gz QRGAKSQMPDIXNM-UHFFFAOYSA-N 0 0 391.445 3.715 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](OC)c1ccccc1C(F)(F)F ZINC001449129408 1060336619 /nfs/dbraw/zinc/33/66/19/1060336619.db2.gz ZHHKBGRXFHFZBT-KRWDZBQOSA-N 0 0 388.382 3.901 20 10 GHCDRN CCN(CCOC)C(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC001449230012 1060359204 /nfs/dbraw/zinc/35/92/04/1060359204.db2.gz ZBVTUWVASFAUMD-UHFFFAOYSA-N 0 0 379.298 3.965 20 10 GHCDRN CN(C(=O)c1cccnc1-c1cnn(C)c1)c1ccc(-c2nccs2)cc1 ZINC001450929034 1060719167 /nfs/dbraw/zinc/71/91/67/1060719167.db2.gz UCOKJDZPQYSWCS-UHFFFAOYSA-N 0 0 375.457 3.882 20 10 GHCDRN O=C(NCc1ccc2cccnc2c1O)c1cnn(Cc2ccccc2Cl)c1 ZINC001451948807 1060873339 /nfs/dbraw/zinc/87/33/39/1060873339.db2.gz FENCDHZPOPOCMA-UHFFFAOYSA-N 0 0 392.846 3.769 20 10 GHCDRN Cc1cc(C(=O)NCc2ncc(C)cn2)c(C)n1-c1ccccc1Br ZINC001452045174 1060887894 /nfs/dbraw/zinc/88/78/94/1060887894.db2.gz QKZZZLYVBAMWHF-UHFFFAOYSA-N 0 0 399.292 3.885 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)Nc3ccc(-n4cncn4)cc3)cc2)CC1 ZINC001341915039 1060949703 /nfs/dbraw/zinc/94/97/03/1060949703.db2.gz OYODCLAYHWJOQJ-UHFFFAOYSA-N 0 0 390.491 3.825 20 10 GHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2onc3c2CCCC3)cc1 ZINC001452614672 1060973429 /nfs/dbraw/zinc/97/34/29/1060973429.db2.gz QKKCNPAQLBZDIS-UHFFFAOYSA-N 0 0 381.398 3.824 20 10 GHCDRN Cc1cc(CSc2ncccc2C(=O)NCc2cc(Cl)ccc2O)no1 ZINC001452945095 1061047519 /nfs/dbraw/zinc/04/75/19/1061047519.db2.gz KZDNYALNFRVIQS-UHFFFAOYSA-N 0 0 389.864 3.959 20 10 GHCDRN Cc1cc(N(C)C)ccc1Cn1c(-c2ccc[nH]2)nnc1N1CCSC[C@@H]1C ZINC001361095282 1061592027 /nfs/dbraw/zinc/59/20/27/1061592027.db2.gz HDSXCTFOLYHODW-INIZCTEOSA-N 0 0 396.564 3.638 20 10 GHCDRN Cc1cc(CC(=O)N2CCCc3n[nH]cc3C2)c(C)n1-c1ccc(Cl)cc1 ZINC001454211877 1061655285 /nfs/dbraw/zinc/65/52/85/1061655285.db2.gz UNNAPNFFFLQQBL-UHFFFAOYSA-N 0 0 382.895 3.988 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)CCC(=O)OC(C)(C)C ZINC001545789001 1061998874 /nfs/dbraw/zinc/99/88/74/1061998874.db2.gz PQEFLOZTLXVCDO-UHFFFAOYSA-N 0 0 384.476 3.710 20 10 GHCDRN O=C(CCc1cc(Cl)ccc1Br)NCc1cccc(O)c1O ZINC001455316821 1062101477 /nfs/dbraw/zinc/10/14/77/1062101477.db2.gz QOIAASLFOCDUBM-UHFFFAOYSA-N 0 0 384.657 3.763 20 10 GHCDRN CCCOc1c(Cl)cc(C(=O)NCc2cc(O)ccc2O)cc1OCC ZINC001455351561 1062109510 /nfs/dbraw/zinc/10/95/10/1062109510.db2.gz XTDGYXDRPJGAAL-UHFFFAOYSA-N 0 0 379.840 3.869 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1ccc(C(=O)N(C)C)nc1 ZINC001455560271 1062221139 /nfs/dbraw/zinc/22/11/39/1062221139.db2.gz XEGJYQNZMZVUCD-UHFFFAOYSA-N 0 0 376.460 3.752 20 10 GHCDRN Cc1cccc2c1O[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)C2 ZINC001435072919 1062272168 /nfs/dbraw/zinc/27/21/68/1062272168.db2.gz CRUCFJCPNDXDLT-SFHVURJKSA-N 0 0 392.421 3.956 20 10 GHCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc2ncccc2o1 ZINC001435331602 1062517290 /nfs/dbraw/zinc/51/72/90/1062517290.db2.gz GCCSXXSCLUKBIB-ZDUSSCGKSA-N 0 0 387.386 3.828 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](C)Cc2ccncc2)CCCC1 ZINC001435332827 1062518060 /nfs/dbraw/zinc/51/80/60/1062518060.db2.gz MNCJTOSHGFGGFT-INIZCTEOSA-N 0 0 377.488 3.671 20 10 GHCDRN Cc1cc(C(=O)N2CCN(CC(C)(F)F)CC2)c(C)n1-c1ccccc1C ZINC001456435418 1062678911 /nfs/dbraw/zinc/67/89/11/1062678911.db2.gz NOLQQIHNLBOZMP-UHFFFAOYSA-N 0 0 375.463 3.816 20 10 GHCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001347819217 1062699803 /nfs/dbraw/zinc/69/98/03/1062699803.db2.gz BGDHGKMGDVGIND-RTWAWAEBSA-N 0 0 394.475 3.920 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)c3ocnc3-c3ccccc3)CC2)cc1 ZINC001347826369 1062703696 /nfs/dbraw/zinc/70/36/96/1062703696.db2.gz JLKNEENGSFUEDY-UHFFFAOYSA-N 0 0 377.444 3.703 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3cc4c(ccnc4Cl)s3)CC2)cc1 ZINC001435577213 1062749184 /nfs/dbraw/zinc/74/91/84/1062749184.db2.gz JFKOCRBGQWPLMV-UHFFFAOYSA-N 0 0 387.892 3.921 20 10 GHCDRN COc1ccc(N(CCc2ccccc2)C(=O)/C=C\c2cnc(OC)nc2)cc1 ZINC001456582615 1062763447 /nfs/dbraw/zinc/76/34/47/1062763447.db2.gz GYHLYGCTJFBRFW-JYRVWZFOSA-N 0 0 389.455 3.783 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(C(F)F)cc1 ZINC001347919363 1062780794 /nfs/dbraw/zinc/78/07/94/1062780794.db2.gz WCHAWCNVJCFVHX-UHFFFAOYSA-N 0 0 375.419 3.677 20 10 GHCDRN Cc1nc(SC2CCCC2)sc1CC(=O)NCc1cccc(O)c1O ZINC001348046910 1062881925 /nfs/dbraw/zinc/88/19/25/1062881925.db2.gz KMZISHYOVPDOHO-UHFFFAOYSA-N 0 0 378.519 3.756 20 10 GHCDRN C[C@@H]1CN(C(=O)C2=CC[C@H](NC(=O)OC(C)(C)C)C2)c2cccc(F)c2O1 ZINC001435936312 1063013210 /nfs/dbraw/zinc/01/32/10/1063013210.db2.gz HNGTUZGHKDYVRM-OCCSQVGLSA-N 0 0 376.428 3.553 20 10 GHCDRN C[C@H]1CN(C(=O)C2=CC[C@H](NC(=O)OC(C)(C)C)C2)c2cccc(F)c2O1 ZINC001435936311 1063013532 /nfs/dbraw/zinc/01/35/32/1063013532.db2.gz HNGTUZGHKDYVRM-JSGCOSHPSA-N 0 0 376.428 3.553 20 10 GHCDRN C[C@H](NC(=O)c1cccn2ncc(Br)c12)c1ccc(N(C)C)cc1 ZINC001435954377 1063028449 /nfs/dbraw/zinc/02/84/49/1063028449.db2.gz WMBYTNKLOMLAPI-LBPRGKRZSA-N 0 0 387.281 3.654 20 10 GHCDRN CC[C@H](NC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2)C1CCOCC1 ZINC001457386783 1063129138 /nfs/dbraw/zinc/12/91/38/1063129138.db2.gz XUUAOAFILANKKK-FQEVSTJZSA-N 0 0 384.520 3.850 20 10 GHCDRN COc1cc(F)c(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)c(F)c1 ZINC001457407362 1063151347 /nfs/dbraw/zinc/15/13/47/1063151347.db2.gz LHFXLIXPCPRTFE-UHFFFAOYSA-N 0 0 380.354 3.935 20 10 GHCDRN CC[C@@H]1CCN(c2nnc(C3Sc4ncccc4C3=O)n2C[C@@H]2CCOC2)C1 ZINC001348913969 1063399986 /nfs/dbraw/zinc/39/99/86/1063399986.db2.gz XSGYQHPCNTWTHY-KGLIPLIRSA-N 0 0 399.520 3.533 20 10 GHCDRN Cc1cc(CC(=O)NC2(C(N)=O)CCC(C)(C)CC2)c(C)n1-c1ccccc1 ZINC001458065680 1063539581 /nfs/dbraw/zinc/53/95/81/1063539581.db2.gz BOWIYZHZJBKDKV-UHFFFAOYSA-N 0 0 381.520 3.577 20 10 GHCDRN Cc1c(Br)c(N(C)Cc2ccc(N(C)C)cc2)ncc1[N+](=O)[O-] ZINC001458066764 1063541408 /nfs/dbraw/zinc/54/14/08/1063541408.db2.gz DIXQXXABPNBUOH-UHFFFAOYSA-N 0 0 379.258 3.763 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCc1nc(-c2ccsc2)no1 ZINC001349106997 1063550088 /nfs/dbraw/zinc/55/00/88/1063550088.db2.gz UNQWYOHDUSXQCO-UHFFFAOYSA-N 0 0 396.516 3.990 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC001349106744 1063550268 /nfs/dbraw/zinc/55/02/68/1063550268.db2.gz QPHMHGAGWMOGFC-OAQYLSRUSA-N 0 0 399.441 3.717 20 10 GHCDRN Cc1cc(C(=O)CN2C(=O)N[C@](C)(CC(C)C)C2=O)c(C)n1-c1ccccc1C ZINC001458734612 1063929608 /nfs/dbraw/zinc/92/96/08/1063929608.db2.gz PEYBSNQLWAJBHR-HSZRJFAPSA-N 0 0 395.503 3.942 20 10 GHCDRN CSc1ncc(OCC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)cn1 ZINC001459132061 1064004612 /nfs/dbraw/zinc/00/46/12/1064004612.db2.gz ZWRYQFQPEDIGLO-UHFFFAOYSA-N 0 0 388.880 3.916 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)c1nc(SC)ncc1Br ZINC001350578372 1064130748 /nfs/dbraw/zinc/13/07/48/1064130748.db2.gz DQGLIBYMQGKNKC-UHFFFAOYSA-N 0 0 396.310 3.719 20 10 GHCDRN CCC[C@@H]1CCCN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001459731990 1064191244 /nfs/dbraw/zinc/19/12/44/1064191244.db2.gz BEIPUBYPWZEIHA-MRXNPFEDSA-N 0 0 390.483 3.913 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2cc(NCc3ccccc3)ccn2)cc1 ZINC001350865390 1064207489 /nfs/dbraw/zinc/20/74/89/1064207489.db2.gz WTFGIDZFCITXHL-UHFFFAOYSA-N 0 0 388.515 3.892 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3c(OC)cccc3C(F)F)CC2)cc1 ZINC001351111834 1064268947 /nfs/dbraw/zinc/26/89/47/1064268947.db2.gz WMOJIRNASYPOMC-UHFFFAOYSA-N 0 0 390.430 3.994 20 10 GHCDRN COc1cccc(CO[C@@H](C)C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c1 ZINC001351162030 1064288261 /nfs/dbraw/zinc/28/82/61/1064288261.db2.gz BSFIMTVJUPKCJM-SFHVURJKSA-N 0 0 382.504 3.859 20 10 GHCDRN COc1ccc(C(C)(C)[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)cc1F ZINC001351619406 1064534723 /nfs/dbraw/zinc/53/47/23/1064534723.db2.gz MDJGBLQPFBHZII-UHFFFAOYSA-N 0 0 389.490 3.750 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCOCC(F)(F)C(F)(F)F ZINC001351674456 1064559714 /nfs/dbraw/zinc/55/97/14/1064559714.db2.gz VRQCXYGOZIURMJ-UHFFFAOYSA-N 0 0 394.384 3.850 20 10 GHCDRN CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001351674183 1064560044 /nfs/dbraw/zinc/56/00/44/1064560044.db2.gz RKMAWZOGXUSBDP-FQEVSTJZSA-N 0 0 387.568 3.822 20 10 GHCDRN Cc1nn(CC(F)F)c(C)c1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001463803332 1064630390 /nfs/dbraw/zinc/63/03/90/1064630390.db2.gz CUIJGXDIXRFLDG-UHFFFAOYSA-N 0 0 376.451 3.637 20 10 GHCDRN CC(C)N(CC(=O)N(C)Cc1ccc(N2CCCC2)cc1)C(=O)OC(C)(C)C ZINC001463814797 1064641243 /nfs/dbraw/zinc/64/12/43/1064641243.db2.gz SQIYHUGLBVNHGZ-UHFFFAOYSA-N 0 0 389.540 3.891 20 10 GHCDRN Cn1cnnc1N1CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000847099093 1064702361 /nfs/dbraw/zinc/70/23/61/1064702361.db2.gz LSTVHOHFGYYRNK-UHFFFAOYSA-N 0 0 390.451 3.585 20 10 GHCDRN Cc1c(C)n(C)c2ccc(OS(=O)(=O)C[C@@H]3CC[C@H](C(F)(F)F)O3)cc12 ZINC001463901711 1064705350 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CCOCc1nc(C)cc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n1 ZINC001472669204 1073606408 /nfs/dbraw/zinc/60/64/08/1073606408.db2.gz KHENXTYBUXVSAZ-HOTGVXAUSA-N 0 0 388.487 3.686 20 10 GHCDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(CC(F)F)C1 ZINC001472808193 1073675065 /nfs/dbraw/zinc/67/50/65/1073675065.db2.gz KELVJLXPUNOMRQ-CQSZACIVSA-N 0 0 375.375 3.577 20 10 GHCDRN COC(=O)c1cnc(SCCOc2ccc(C(=O)OC)cc2Cl)s1 ZINC001473035801 1073757396 /nfs/dbraw/zinc/75/73/96/1073757396.db2.gz UYJXSPLRQBSRNQ-UHFFFAOYSA-N 0 0 387.866 3.541 20 10 GHCDRN CCc1ccc([C@H]2C[C@H](C)CCN2CC(=O)NCc2ccc(N(C)C)cc2)o1 ZINC001473193361 1073846189 /nfs/dbraw/zinc/84/61/89/1073846189.db2.gz UQBMOLYDYHOCKJ-DYESRHJHSA-N 0 0 383.536 3.997 20 10 GHCDRN CCc1ccc([C@H]2C[C@@H](C)CCN2CC(=O)NCc2ccc(N(C)C)cc2)o1 ZINC001473193362 1073846612 /nfs/dbraw/zinc/84/66/12/1073846612.db2.gz UQBMOLYDYHOCKJ-LAUBAEHRSA-N 0 0 383.536 3.997 20 10 GHCDRN Cc1cccc(Cn2[nH]ccc2=NC(=O)CN(C)c2ccc(OC(C)C)cc2)c1 ZINC001473381066 1073942245 /nfs/dbraw/zinc/94/22/45/1073942245.db2.gz XDQHGZXELAQYDJ-UHFFFAOYSA-N 0 0 392.503 3.524 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)Cc1cnc(N(C)C)c2ccccc12 ZINC001473572780 1074023396 /nfs/dbraw/zinc/02/33/96/1074023396.db2.gz HNXGZCQFRKCTAQ-UHFFFAOYSA-N 0 0 393.487 3.572 20 10 GHCDRN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H]2c2ccc(F)cc2)[NH+](C)C)cc1 ZINC001479533460 1079224123 /nfs/dbraw/zinc/22/41/23/1079224123.db2.gz IESHMYRDXVMQGV-RTWAWAEBSA-N 0 0 384.499 3.651 20 10 GHCDRN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@H]2c2ccc(F)cc2)[NH+](C)C)cc1 ZINC001479533459 1079224276 /nfs/dbraw/zinc/22/42/76/1079224276.db2.gz IESHMYRDXVMQGV-NHCUHLMSSA-N 0 0 384.499 3.651 20 10 GHCDRN C[C@@]1(c2cccc(NCc3cc(Br)cc(F)c3O)c2)COC(=O)N1 ZINC001474250520 1074310017 /nfs/dbraw/zinc/31/00/17/1074310017.db2.gz ZRFMVOGXJMFTDK-KRWDZBQOSA-N 0 0 395.228 3.861 20 10 GHCDRN Cc1cc(C(F)(F)F)nn1CC[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC001474268747 1074317757 /nfs/dbraw/zinc/31/77/57/1074317757.db2.gz DHQUTLHLOJUSIL-UHFFFAOYSA-N 0 0 396.182 3.607 20 10 GHCDRN OCC[C@H](NCc1ccc(N2CCCCC2)c(Br)c1)C(F)(F)F ZINC001474269320 1074318604 /nfs/dbraw/zinc/31/86/04/1074318604.db2.gz LLYYUHSIWMHPSM-HNNXBMFYSA-N 0 0 395.263 3.842 20 10 GHCDRN COc1cc(N2CCN(C/C=C\c3cccc(F)c3)CC2)cc(OC)c1OC ZINC001474424657 1074400141 /nfs/dbraw/zinc/40/01/41/1074400141.db2.gz ZYFFBWHRIPOKMQ-ALCCZGGFSA-N 0 0 386.467 3.687 20 10 GHCDRN Cc1cc(Br)c(O)c(CN(C)[C@H](c2nc[nH]n2)c2ccccc2)c1 ZINC001474570233 1074467325 /nfs/dbraw/zinc/46/73/25/1074467325.db2.gz AHQFAIKNGASGMW-INIZCTEOSA-N 0 0 387.281 3.803 20 10 GHCDRN COc1ccc(N(C)CCN(C)Cc2c(C(F)(F)F)nc3n2CCCC3)cc1 ZINC001474612245 1074483740 /nfs/dbraw/zinc/48/37/40/1074483740.db2.gz DMFOREJXSOYBJM-UHFFFAOYSA-N 0 0 396.457 3.815 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(-n2cccc2)cc1 ZINC001474809452 1074574215 /nfs/dbraw/zinc/57/42/15/1074574215.db2.gz MVXGQABKJVLJCG-UHFFFAOYSA-N 0 0 383.517 3.754 20 10 GHCDRN COCc1c(Cl)cccc1NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001476266288 1075113270 /nfs/dbraw/zinc/11/32/70/1075113270.db2.gz RFSSONYRSKBQOR-CQSZACIVSA-N 0 0 389.883 3.895 20 10 GHCDRN CCC[C@H](Cn1c(CC)nnc1N(C)Cc1ccc(N2CCCC2)cc1)OC ZINC001500137020 1079582638 /nfs/dbraw/zinc/58/26/38/1079582638.db2.gz WRQMQALPUSFPDF-HXUWFJFHSA-N 0 0 385.556 3.892 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)c1 ZINC001662582284 1126265696 /nfs/dbraw/zinc/26/56/96/1126265696.db2.gz LSWUXVLCQAUVLQ-KRWDZBQOSA-N 0 0 378.310 3.773 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@H]3CCC[C@H]32)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235415 599247601 /nfs/dbraw/zinc/24/76/01/599247601.db2.gz XSCPFXFJLPYEJU-OXQOHEQNSA-N 0 0 390.491 3.679 20 10 GHCDRN Cc1cc(C(=O)Nc2ccccc2F)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737237982 598609413 /nfs/dbraw/zinc/60/94/13/598609413.db2.gz GBFLGWZCWYXPPA-UHFFFAOYSA-N 0 0 376.395 3.666 20 10 GHCDRN Cc1ccc([C@@H](C)NC(=O)c2cc(C)n(-c3ccc(-c4nn[nH]n4)cc3)c2C)o1 ZINC000737320226 598611070 /nfs/dbraw/zinc/61/10/70/598611070.db2.gz JBRRXBROUWPFEN-CQSZACIVSA-N 0 0 390.447 3.667 20 10 GHCDRN O=C1C(=Cc2ccc(-c3nn[nH]n3)o2)SC(=S)N1c1ccc(Cl)cc1 ZINC000823503583 599310266 /nfs/dbraw/zinc/31/02/66/599310266.db2.gz HMOFZAYRPUDEGT-GHXNOFRVSA-N 0 0 389.849 3.519 20 10 GHCDRN Fc1ccc2c(C3=CCN(c4ccc(F)cc4-c4nn[nH]n4)CC3)c[nH]c2c1 ZINC000822779625 599483823 /nfs/dbraw/zinc/48/38/23/599483823.db2.gz YWQUIWXZAWKRAI-UHFFFAOYSA-N 0 0 378.386 3.920 20 10 GHCDRN CC[C@H]1C[C@H](C)CN1C(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000820966387 599655910 /nfs/dbraw/zinc/65/59/10/599655910.db2.gz DOXQLRJVLNJTRB-GUYCJALGSA-N 0 0 378.480 3.535 20 10 GHCDRN COc1ccc(N2CCC([NH2+]Cc3cc(C)c(OCC(=O)[O-])c(C)c3)CC2)cc1 ZINC000738020852 599859496 /nfs/dbraw/zinc/85/94/96/599859496.db2.gz GPCYOKYYJWRFSH-UHFFFAOYSA-N 0 0 398.503 3.534 20 10 GHCDRN O=C([O-])C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1cc(Cl)ccc1O ZINC000739784573 600143611 /nfs/dbraw/zinc/14/36/11/600143611.db2.gz GJZBYJZQUKKQSN-UHFFFAOYSA-N 0 0 397.258 3.614 20 10 GHCDRN O=C([O-])C[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)Cc1cc(Cl)ccc1O ZINC000739793153 600315826 /nfs/dbraw/zinc/31/58/26/600315826.db2.gz BAVINHDZZMYSTN-UHFFFAOYSA-N 0 0 398.242 3.557 20 10 GHCDRN C[C@@H]([NH2+]CCc1ccc(NC(=O)[O-])cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000825496156 605112723 /nfs/dbraw/zinc/11/27/23/605112723.db2.gz MPOQHYOUKYSMLY-OAHLLOKOSA-N 0 0 387.455 3.646 20 10 GHCDRN Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(-c4nn[nH]n4)s3)SC2=S)c1 ZINC000822196753 606393838 /nfs/dbraw/zinc/39/38/38/606393838.db2.gz VYXKWWYZNADUNY-ZSOIEALJSA-N 0 0 399.526 3.951 20 10 GHCDRN Cc1cc(C)c(O)c(CN(Cc2ccc(-c3nn[nH]n3)cc2)CC(F)(F)F)c1 ZINC000826263841 607846348 /nfs/dbraw/zinc/84/63/48/607846348.db2.gz SJEISOYLPNEKHZ-UHFFFAOYSA-N 0 0 391.397 3.754 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000173191244 837592341 /nfs/dbraw/zinc/59/23/41/837592341.db2.gz HCCGTTBUIVIACL-UHFFFAOYSA-N 0 0 390.443 3.719 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC000173193690 837593329 /nfs/dbraw/zinc/59/33/29/837593329.db2.gz HXLCRUNMQMAQPE-UHFFFAOYSA-N 0 0 397.475 3.978 20 10 GHCDRN Cc1[nH]c(-c2cccc(C)c2)nc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000536043453 834460329 /nfs/dbraw/zinc/46/03/29/834460329.db2.gz JVRNLYCHIAFAFT-UHFFFAOYSA-N 0 0 376.460 3.799 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NC[C@]2(CCO)CCOC2)cc1 ZINC000255569118 834526932 /nfs/dbraw/zinc/52/69/32/834526932.db2.gz BFBVLQURRSINTA-QFIPXVFZSA-N 0 0 396.491 3.687 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3cc(C(F)(F)F)ccc3F)CC2)cc1 ZINC000176842702 834587461 /nfs/dbraw/zinc/58/74/61/834587461.db2.gz TZQBWOVHLLMPMM-UHFFFAOYSA-N 0 0 382.357 3.816 20 10 GHCDRN Cc1cc(C(=O)NCc2ccc(O)c(O)c2)cc(C)c1OCc1cccnc1 ZINC000158875609 834862166 /nfs/dbraw/zinc/86/21/66/834862166.db2.gz ZZHWONSHFOYWOC-UHFFFAOYSA-N 0 0 378.428 3.619 20 10 GHCDRN Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000131997526 835291617 /nfs/dbraw/zinc/29/16/17/835291617.db2.gz HLDQSXHCVOFIQK-WFASDCNBSA-N 0 0 392.450 3.517 20 10 GHCDRN CN(C)c1ccc(CNC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)cc1F ZINC000176958626 835394129 /nfs/dbraw/zinc/39/41/29/835394129.db2.gz BXDFOIDSGVJBEZ-UHFFFAOYSA-N 0 0 380.423 3.749 20 10 GHCDRN O=C(/C=C/c1ccc(Cl)s1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000176984859 835432274 /nfs/dbraw/zinc/43/22/74/835432274.db2.gz YVPJLXDODASZEE-ZZXKWVIFSA-N 0 0 394.899 3.831 20 10 GHCDRN COCCOc1ccccc1CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001125300721 835441078 /nfs/dbraw/zinc/44/10/78/835441078.db2.gz HRJNJVGFDIAJDW-UHFFFAOYSA-N 0 0 392.499 3.978 20 10 GHCDRN CCn1cnnc1-c1ccccc1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000177019556 835468072 /nfs/dbraw/zinc/46/80/72/835468072.db2.gz ZSVZOOXVCCYXNL-UHFFFAOYSA-N 0 0 390.491 3.669 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(F)c(F)cc1Cl ZINC000176811377 835523932 /nfs/dbraw/zinc/52/39/32/835523932.db2.gz TVLOMWYEBPLOBN-UHFFFAOYSA-N 0 0 395.837 3.671 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)C(F)(F)c3ccc(F)cc3)CC2)cc1 ZINC000148235800 835671346 /nfs/dbraw/zinc/67/13/46/835671346.db2.gz JRKFIRZUELMFEC-UHFFFAOYSA-N 0 0 378.394 3.665 20 10 GHCDRN COc1c(O)c(CNc2ccc(CN(C(C)=O)C(C)C)cc2)ccc1[N+](=O)[O-] ZINC000278640531 835673627 /nfs/dbraw/zinc/67/36/27/835673627.db2.gz HXFFOUFZYUFTDA-UHFFFAOYSA-N 0 0 387.436 3.678 20 10 GHCDRN O=S1(=O)CC[C@@H](CSc2ncc(-c3ccccc3)n2CC(F)(F)F)C1 ZINC000278674109 835752965 /nfs/dbraw/zinc/75/29/65/835752965.db2.gz LKSOPIIDXHYFLP-LBPRGKRZSA-N 0 0 390.452 3.639 20 10 GHCDRN CCCN(Cc1ccccc1O)Cc1nc(N)nc(Nc2ccccc2C)n1 ZINC000728927843 844093176 /nfs/dbraw/zinc/09/31/76/844093176.db2.gz ZFUMWCNRLPOZKP-UHFFFAOYSA-N 0 0 378.480 3.624 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)/C=C\c1cnc(C)s1 ZINC000255017391 835869010 /nfs/dbraw/zinc/86/90/10/835869010.db2.gz GLYRJPDYXFLSDK-ALCCZGGFSA-N 0 0 381.295 3.982 20 10 GHCDRN COc1ccccc1-c1nn(C)cc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000471221750 835969682 /nfs/dbraw/zinc/96/96/82/835969682.db2.gz XJFZDKOPPXTXGC-UHFFFAOYSA-N 0 0 388.471 3.826 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1nnn(-c2cccc(Cl)c2)c1C ZINC000471229382 836036307 /nfs/dbraw/zinc/03/63/07/836036307.db2.gz AFVYDTGURATORW-UHFFFAOYSA-N 0 0 393.878 3.959 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000471228661 836039818 /nfs/dbraw/zinc/03/98/18/836039818.db2.gz ZLBDWPRQUKVMKS-NRFANRHFSA-N 0 0 391.471 3.534 20 10 GHCDRN Cc1cccc(-c2noc(CN(C)Cc3ccc(N4CCOCC4)cc3)n2)c1 ZINC000120690369 836089827 /nfs/dbraw/zinc/08/98/27/836089827.db2.gz IUGKYJLSMHIHCU-UHFFFAOYSA-N 0 0 378.476 3.514 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3cc(C)nc4ccccc43)CC2)cc1F ZINC000177271559 836224088 /nfs/dbraw/zinc/22/40/88/836224088.db2.gz JIMKBVGSUOQJBJ-UHFFFAOYSA-N 0 0 379.435 3.653 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1F ZINC000177271348 836224391 /nfs/dbraw/zinc/22/43/91/836224391.db2.gz ODNWWBMHMGDGDG-UHFFFAOYSA-N 0 0 382.357 3.816 20 10 GHCDRN COc1cccc([C@@H]2CN(Cc3cc(Cl)cc(C(C)=O)c3O)CCO2)c1 ZINC000167511731 836241593 /nfs/dbraw/zinc/24/15/93/836241593.db2.gz AJMZPPZWDSNSPQ-IBGZPJMESA-N 0 0 375.852 3.830 20 10 GHCDRN CCCNC(=O)c1ccc(NC(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000471242426 836253771 /nfs/dbraw/zinc/25/37/71/836253771.db2.gz GFGIYFGIGCLPFP-UHFFFAOYSA-N 0 0 378.476 3.948 20 10 GHCDRN COc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000782633950 836649078 /nfs/dbraw/zinc/64/90/78/836649078.db2.gz MPWRCMAAZHVUEG-UHFFFAOYSA-N 0 0 384.436 3.866 20 10 GHCDRN COC(=O)Nc1ccc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)c(C)c1 ZINC001125322769 836712384 /nfs/dbraw/zinc/71/23/84/836712384.db2.gz MDGURRBZSMNDKC-UHFFFAOYSA-N 0 0 397.475 3.534 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccccc1SCCC(N)=O ZINC000471285877 836951436 /nfs/dbraw/zinc/95/14/36/836951436.db2.gz HLZCQOMKWRECDT-UHFFFAOYSA-N 0 0 396.516 3.776 20 10 GHCDRN Cc1ccc(CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1O ZINC000180311080 837073029 /nfs/dbraw/zinc/07/30/29/837073029.db2.gz VVHOOGWJHMNTME-OAQYLSRUSA-N 0 0 382.504 3.517 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N[C@H](c3ccncc3)C3CC3)CC2)cc1 ZINC000892675091 838059328 /nfs/dbraw/zinc/05/93/28/838059328.db2.gz OOCSXENCQPROEO-NRFANRHFSA-N 0 0 380.492 3.510 20 10 GHCDRN CC(C)Cc1ccc(C(=O)CCC(=O)OCC(=O)c2ccc(O)c(O)c2)cc1 ZINC000782887752 838273271 /nfs/dbraw/zinc/27/32/71/838273271.db2.gz TUDUTKRHZREJBW-UHFFFAOYSA-N 0 0 384.428 3.685 20 10 GHCDRN COc1ccc(CN[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c(O)c1OC ZINC000893979175 844309322 /nfs/dbraw/zinc/30/93/22/844309322.db2.gz HAXWBQRPWNLVPB-GFCCVEGCSA-N 0 0 387.411 3.758 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc2cnccc21 ZINC000275685136 838423141 /nfs/dbraw/zinc/42/31/41/838423141.db2.gz IPGNZIGWNBHQFC-UHFFFAOYSA-N 0 0 390.487 3.677 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc(COC)c1 ZINC000175850345 838474637 /nfs/dbraw/zinc/47/46/37/838474637.db2.gz LAICFIWWTYUGNH-UHFFFAOYSA-N 0 0 378.266 3.963 20 10 GHCDRN COCc1ccsc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000376639870 838598288 /nfs/dbraw/zinc/59/82/88/838598288.db2.gz DMNFRGYYJYDPGP-UHFFFAOYSA-N 0 0 396.459 3.895 20 10 GHCDRN CC(C)[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000728746043 839022114 /nfs/dbraw/zinc/02/21/14/839022114.db2.gz OMWULFPKNCNWHT-IEBWSBKVSA-N 0 0 377.504 3.676 20 10 GHCDRN C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cc(Br)c(F)cc1[O-] ZINC000756405285 839073158 /nfs/dbraw/zinc/07/31/58/839073158.db2.gz ZFBZKDWUECLQER-NSHDSACASA-N 0 0 382.277 3.720 20 10 GHCDRN COCCn1nc(C)c(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1C ZINC000275808535 839075310 /nfs/dbraw/zinc/07/53/10/839075310.db2.gz UTNVADDWMFVPRU-UHFFFAOYSA-N 0 0 387.528 3.655 20 10 GHCDRN CCCOc1ccc(CNC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1OC ZINC000047450535 839089536 /nfs/dbraw/zinc/08/95/36/839089536.db2.gz IRACKENIZSWCAV-UHFFFAOYSA-N 0 0 393.443 3.978 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000047507467 839096296 /nfs/dbraw/zinc/09/62/96/839096296.db2.gz STSOLDJSUCYQNY-UHFFFAOYSA-N 0 0 388.489 3.772 20 10 GHCDRN COc1c(Br)c([N+](=O)[O-])c(N2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000014204857 839181788 /nfs/dbraw/zinc/18/17/88/839181788.db2.gz UOWGYZWJYWAKBW-IUCAKERBSA-N 0 0 388.218 3.756 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)COc1ccccc1-c1ccccc1 ZINC000183444151 839305969 /nfs/dbraw/zinc/30/59/69/839305969.db2.gz BWQDUBPTLAOXCN-MRXNPFEDSA-N 0 0 377.440 3.891 20 10 GHCDRN C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000378557524 839329014 /nfs/dbraw/zinc/32/90/14/839329014.db2.gz ZTKGZUBTCQEZBX-DKSFEKEHSA-N 0 0 385.807 3.692 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC000275873652 839405359 /nfs/dbraw/zinc/40/53/59/839405359.db2.gz QCMKCXXAEAJZKN-UHFFFAOYSA-N 0 0 396.535 3.826 20 10 GHCDRN O=C(NCCCSc1nccs1)c1cc(COc2ccccc2F)on1 ZINC000183958424 839409396 /nfs/dbraw/zinc/40/93/96/839409396.db2.gz CCVVMOWAVNUISU-UHFFFAOYSA-N 0 0 393.465 3.761 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2nc(CN3CCCCC3)cs2)c1 ZINC000728937538 844443217 /nfs/dbraw/zinc/44/32/17/844443217.db2.gz FCAGLRBLMSHILF-CYBMUJFWSA-N 0 0 390.509 3.726 20 10 GHCDRN COc1ccc(N2CCN(Cc3cc(F)ccc3Br)CC2)cc1 ZINC001204541337 839659634 /nfs/dbraw/zinc/65/96/34/839659634.db2.gz 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CC(C)(C)SCCCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000156968749 845778126 /nfs/dbraw/zinc/77/81/26/845778126.db2.gz KAFIRVOAEBPCJV-UHFFFAOYSA-N 0 0 382.545 3.715 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1c(F)cccc1F ZINC000128564967 861623514 /nfs/dbraw/zinc/62/35/14/861623514.db2.gz GMRSVFLHGVVMHE-UHFFFAOYSA-N 0 0 387.430 3.552 20 10 GHCDRN CN(C)c1ccc(CNc2cccc(CS(C)(=O)=O)c2)c(C(F)(F)F)c1 ZINC000280136484 846302633 /nfs/dbraw/zinc/30/26/33/846302633.db2.gz DTQWGFYFOVAYKT-UHFFFAOYSA-N 0 0 386.439 3.928 20 10 GHCDRN OC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(Cl)cc1C(F)(F)F ZINC000280268731 846346335 /nfs/dbraw/zinc/34/63/35/846346335.db2.gz MHOUGJPVVCPPQP-ZDUSSCGKSA-N 0 0 389.757 3.616 20 10 GHCDRN CN(C)c1ccc(CNC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)cc1F ZINC000728471485 846368223 /nfs/dbraw/zinc/36/82/23/846368223.db2.gz PBKCRSSFDNTXGH-UHFFFAOYSA-N 0 0 399.447 3.674 20 10 GHCDRN Cc1nn(CCS(C)(=O)=O)c(C)c1CSc1ncc(C(C)(C)C)s1 ZINC000280659513 846484667 /nfs/dbraw/zinc/48/46/67/846484667.db2.gz 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ZINC000894966823 854286082 /nfs/dbraw/zinc/28/60/82/854286082.db2.gz PARPWAYWJONVRO-LJQANCHMSA-N 0 0 386.879 3.939 20 10 GHCDRN COc1ccc(CCNC(=O)NCc2ccc(N3CCCC3)cc2)c(Cl)c1 ZINC000760743339 854979203 /nfs/dbraw/zinc/97/92/03/854979203.db2.gz KRWZNNIZVMEGAW-UHFFFAOYSA-N 0 0 387.911 3.991 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CCc2cc(F)ccc21 ZINC000056840772 855093006 /nfs/dbraw/zinc/09/30/06/855093006.db2.gz GQYNFYFWKXCLOB-HXUWFJFHSA-N 0 0 385.508 3.866 20 10 GHCDRN CCCCC[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000785444777 855165752 /nfs/dbraw/zinc/16/57/52/855165752.db2.gz UXIOHFOOAGHAOG-NRFANRHFSA-N 0 0 381.520 3.807 20 10 GHCDRN Cc1ccc(C(=O)NCc2cc3cccnc3cc2Br)c(O)c1O ZINC000780986237 855237301 /nfs/dbraw/zinc/23/73/01/855237301.db2.gz KTKZLTFAGBHFGY-UHFFFAOYSA-N 0 0 387.233 3.647 20 10 GHCDRN COc1ccc(OCCCC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1 ZINC000055877475 855420146 /nfs/dbraw/zinc/42/01/46/855420146.db2.gz PVYROWYMUVGGMH-UHFFFAOYSA-N 0 0 398.503 3.602 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(Oc3cccnc3)nc2)c1 ZINC000760817036 855849344 /nfs/dbraw/zinc/84/93/44/855849344.db2.gz YWCJRIINGURZJI-ZDUSSCGKSA-N 0 0 380.404 3.866 20 10 GHCDRN O=C(c1ccc(NCc2ccc(N3CCCCC3)cc2)cc1)N1CCC(O)CC1 ZINC000280835319 855903982 /nfs/dbraw/zinc/90/39/82/855903982.db2.gz XKSHJJKLTGHVHL-UHFFFAOYSA-N 0 0 393.531 3.886 20 10 GHCDRN COc1coc(CN(Cc2ccc(C)s2)c2ccc3c(c2)OCCO3)cc1=O ZINC000760830838 856015876 /nfs/dbraw/zinc/01/58/76/856015876.db2.gz JHDRRBBAZFJJCX-UHFFFAOYSA-N 0 0 399.468 3.996 20 10 GHCDRN C[C@H](CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)n1cccc1 ZINC000729522837 856067267 /nfs/dbraw/zinc/06/72/67/856067267.db2.gz VHHJDZDDJXMTBK-OAHLLOKOSA-N 0 0 395.425 3.611 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2ccc(Br)cn2)c1 ZINC000280933073 862756964 /nfs/dbraw/zinc/75/69/64/862756964.db2.gz IGOFJLZUHBQDFF-QWRGUYRKSA-N 0 0 379.254 3.748 20 10 GHCDRN COC(=O)c1sc(/C=C/c2ccc(N3CCC(O)CC3)cc2)nc1Cl ZINC000905072802 856154545 /nfs/dbraw/zinc/15/45/45/856154545.db2.gz ANXDRZNTAHSLAT-QPJJXVBHSA-N 0 0 378.881 3.715 20 10 GHCDRN Cc1cc(C(=O)NCc2ccn(C)n2)c(C)n1-c1ccc(Br)cc1 ZINC000765911846 856156387 /nfs/dbraw/zinc/15/63/87/856156387.db2.gz ITNOJAWKNZPYOE-UHFFFAOYSA-N 0 0 387.281 3.520 20 10 GHCDRN Cc1cc(C(=O)NCCS(=O)(=O)C(C)(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000733180571 862784007 /nfs/dbraw/zinc/78/40/07/862784007.db2.gz AYNRFPDVLYGQPE-UHFFFAOYSA-N 0 0 396.940 3.691 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001126523003 856353110 /nfs/dbraw/zinc/35/31/10/856353110.db2.gz JTKSRIKRDFGAGC-UHFFFAOYSA-N 0 0 389.839 3.672 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CCC[C@@](C)(OC)CC2)CCCC1 ZINC001128740074 856371579 /nfs/dbraw/zinc/37/15/79/856371579.db2.gz ZWQHVTABEXNTSZ-HSZRJFAPSA-N 0 0 384.520 3.946 20 10 GHCDRN CCc1ccc([C@H]2COCCN2C(=O)NCc2ccc(N3CCCC3)cc2)o1 ZINC000172492016 856454656 /nfs/dbraw/zinc/45/46/56/856454656.db2.gz ZAEFCMRCHZMEPI-HXUWFJFHSA-N 0 0 383.492 3.725 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@H]2c2c(C)n[nH]c2C)cc1 ZINC000766055507 862822028 /nfs/dbraw/zinc/82/20/28/862822028.db2.gz MUHKKUFNDXYIIG-FQEVSTJZSA-N 0 0 378.476 3.648 20 10 GHCDRN COc1ncc(/C=C\C(=O)N2CCc3cc(Cl)cc(Br)c32)cn1 ZINC001128782814 856682909 /nfs/dbraw/zinc/68/29/09/856682909.db2.gz OFKXRGDFXRKWBG-IHWYPQMZSA-N 0 0 394.656 3.504 20 10 GHCDRN CC[C@H](c1ccc(OC)cc1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000760954842 856728249 /nfs/dbraw/zinc/72/82/49/856728249.db2.gz YIIARYOVEWOIFK-QGZVFWFLSA-N 0 0 388.851 3.970 20 10 GHCDRN O=C(Cc1cccc2cccnc21)NCc1ccc(N2CCSCC2)cc1 ZINC000058449023 856787110 /nfs/dbraw/zinc/78/71/10/856787110.db2.gz HQJSNEMFXJOOMB-UHFFFAOYSA-N 0 0 377.513 3.647 20 10 GHCDRN FC(F)(F)Oc1ccc(Br)cc1-c1noc(-c2csnn2)n1 ZINC001212361728 856938916 /nfs/dbraw/zinc/93/89/16/856938916.db2.gz CNDNAKSUIFOREF-UHFFFAOYSA-N 0 0 393.144 3.916 20 10 GHCDRN CCS(=O)(=O)C[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C ZINC000733291453 862856046 /nfs/dbraw/zinc/85/60/46/862856046.db2.gz JBOJZKLFJKQXDL-OAHLLOKOSA-N 0 0 390.549 3.771 20 10 GHCDRN CCN(CCC1CC1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000760988705 856999299 /nfs/dbraw/zinc/99/92/99/856999299.db2.gz QFHMLOGCJPFCSK-HZPDHXFCSA-N 0 0 377.504 3.771 20 10 GHCDRN Cc1cc(C)n(-c2cccc(NC(=O)N3CCOc4cc(N(C)C)ccc43)c2)n1 ZINC000542947348 857054188 /nfs/dbraw/zinc/05/41/88/857054188.db2.gz CRAIBQLGAVHBER-UHFFFAOYSA-N 0 0 391.475 3.986 20 10 GHCDRN COc1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(S(C)(=O)=O)c1 ZINC001128987602 857221650 /nfs/dbraw/zinc/22/16/50/857221650.db2.gz QZJBLKVXLBLZBU-UHFFFAOYSA-N 0 0 398.484 3.759 20 10 GHCDRN Cc1cc(C(=O)CN2CCC([C@H](O)C(F)(F)F)CC2)c(C)n1-c1ccccc1 ZINC000766133853 857384096 /nfs/dbraw/zinc/38/40/96/857384096.db2.gz AGYVFLCHFBMGNE-FQEVSTJZSA-N 0 0 394.437 3.912 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)c(C)n1-c1cccc(C)c1 ZINC000108633805 857449006 /nfs/dbraw/zinc/44/90/06/857449006.db2.gz IUFRYUSJHBJWMQ-LJQANCHMSA-N 0 0 389.503 3.591 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(-n2cncn2)cc1 ZINC000027157518 857557822 /nfs/dbraw/zinc/55/78/22/857557822.db2.gz FOBXGLAVVVEMIU-UHFFFAOYSA-N 0 0 375.476 3.530 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)C(C)(C)c1ccccc1 ZINC000804120425 857780420 /nfs/dbraw/zinc/78/04/20/857780420.db2.gz NNCRAPSIXBIUHB-KRWDZBQOSA-N 0 0 382.504 3.613 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)CSc2ccc(C(F)(F)F)cn2)c1 ZINC000157875581 857809227 /nfs/dbraw/zinc/80/92/27/857809227.db2.gz XSGSDURXADXAAJ-JTQLQIEISA-N 0 0 386.395 3.784 20 10 GHCDRN Oc1cc(O)c(CCNc2ccc3cc(Br)ccc3n2)cc1O ZINC001168014261 858030523 /nfs/dbraw/zinc/03/05/23/858030523.db2.gz RGBUEICHYRMVQE-UHFFFAOYSA-N 0 0 375.222 3.769 20 10 GHCDRN COc1ccc(Cl)cc1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761060019 858127823 /nfs/dbraw/zinc/12/78/23/858127823.db2.gz XQGBKPJDQTUQPJ-UHFFFAOYSA-N 0 0 381.215 3.676 20 10 GHCDRN CN(C)c1ccc(CNC(=O)NCc2cccc(-c3ccccn3)c2)cc1F ZINC000158195259 858505102 /nfs/dbraw/zinc/50/51/02/858505102.db2.gz REHRQSYDCXAGKE-UHFFFAOYSA-N 0 0 378.451 3.953 20 10 GHCDRN O=C1Cc2ccc(NCCc3cc(O)c(O)cc3O)cc2N1c1ccccc1 ZINC001168017862 858727445 /nfs/dbraw/zinc/72/74/45/858727445.db2.gz WIZSQUOLGIUVKQ-UHFFFAOYSA-N 0 0 376.412 3.679 20 10 GHCDRN CC(C)C1(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)CC1 ZINC001129242380 858740303 /nfs/dbraw/zinc/74/03/03/858740303.db2.gz WDUSXJBIZJBSQO-PTNGSMBKSA-N 0 0 392.521 3.722 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)NCc3cccc(NC(C)=O)c3)ccc21 ZINC000482734929 858805609 /nfs/dbraw/zinc/80/56/09/858805609.db2.gz RYDPEQGACDNQDK-UHFFFAOYSA-N 0 0 393.487 3.793 20 10 GHCDRN COC(=O)c1ccc(C)c(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000141462513 858808508 /nfs/dbraw/zinc/80/85/08/858808508.db2.gz ZTCKDIWOUBNPJJ-MRXNPFEDSA-N 0 0 397.475 3.501 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N(Cc3ccccn3)CC(C)C)C2)cc1 ZINC000922950804 858887264 /nfs/dbraw/zinc/88/72/64/858887264.db2.gz PQTWAIMNJXOYIW-IBGZPJMESA-N 0 0 396.535 3.784 20 10 GHCDRN O=C(CCc1ccccc1)Nc1ccc(NCC(=O)c2ccc(O)c(O)c2)cc1 ZINC001170322186 881357873 /nfs/dbraw/zinc/35/78/73/881357873.db2.gz GOOHGBFNSSURRO-UHFFFAOYSA-N 0 0 390.439 3.964 20 10 GHCDRN Cc1cnn(-c2ccc(S(=O)(=O)Nc3cc(C)c(O)c(C)c3C)cc2F)c1 ZINC000187059687 858934279 /nfs/dbraw/zinc/93/42/79/858934279.db2.gz GALDNSNNEVOQGF-UHFFFAOYSA-N 0 0 389.452 3.751 20 10 GHCDRN CCC(CC)[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000785424458 859030486 /nfs/dbraw/zinc/03/04/86/859030486.db2.gz HMKGTACUYLGWAO-OAQYLSRUSA-N 0 0 381.520 3.663 20 10 GHCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Cc2cc(C)on2)cc1 ZINC000174766769 881381362 /nfs/dbraw/zinc/38/13/62/881381362.db2.gz XPESLODOEZMNSL-UHFFFAOYSA-N 0 0 379.460 3.834 20 10 GHCDRN Cc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)c(C)n1[C@H]1CCCOC1 ZINC000625916490 859151466 /nfs/dbraw/zinc/15/14/66/859151466.db2.gz XASCJUQWTOSATD-SFHVURJKSA-N 0 0 383.492 3.562 20 10 GHCDRN COc1cc([C@H](C)NC(=O)Cc2ccc(N)cc2)ccc1OCc1ccncc1 ZINC000237263494 859340762 /nfs/dbraw/zinc/34/07/62/859340762.db2.gz IKSXEVQGCZYZGU-INIZCTEOSA-N 0 0 391.471 3.671 20 10 GHCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccncc1Br ZINC000764272636 859343256 /nfs/dbraw/zinc/34/32/56/859343256.db2.gz NFFXZWQAYCGDHU-UHFFFAOYSA-N 0 0 394.232 3.806 20 10 GHCDRN COCc1ccc(/C=C2\SC(=S)N(c3cc(OC)ccc3OC)C2=O)o1 ZINC000764410975 859431570 /nfs/dbraw/zinc/43/15/70/859431570.db2.gz DONCPFQDHHRSFQ-SXGWCWSVSA-N 0 0 391.470 3.849 20 10 GHCDRN COCc1ccc(/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)o1 ZINC000764411667 859432317 /nfs/dbraw/zinc/43/23/17/859432317.db2.gz NFVVECFRLSZEQU-CXUHLZMHSA-N 0 0 375.471 3.836 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](CCO)C2CCOCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000764413924 859443018 /nfs/dbraw/zinc/44/30/18/859443018.db2.gz WJNIGKYKCMBUCX-FQEVSTJZSA-N 0 0 390.911 3.655 20 10 GHCDRN CO/C(=C\c1ccccc1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000764458848 859456044 /nfs/dbraw/zinc/45/60/44/859456044.db2.gz BRQZHUPCKJMCFL-NRPPHEFGSA-N 0 0 394.515 3.948 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2noc(C3CC3)n2)cc1 ZINC000764468453 859459724 /nfs/dbraw/zinc/45/97/24/859459724.db2.gz KDEJAXOFFWLRJJ-UHFFFAOYSA-N 0 0 395.463 3.518 20 10 GHCDRN COc1ccc(-n2c(C)cc(CN(C)C(=S)NCc3ccon3)c2C)cc1 ZINC000764475771 859461561 /nfs/dbraw/zinc/46/15/61/859461561.db2.gz HHYKUOPYBPHJQW-UHFFFAOYSA-N 0 0 384.505 3.597 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(-n4ccnn4)cc3)ccc21 ZINC000483700338 859551506 /nfs/dbraw/zinc/55/15/06/859551506.db2.gz MYKMFIRWTPLHQJ-UHFFFAOYSA-N 0 0 389.459 3.738 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1cc(N2CCSCC2)ncn1 ZINC000764762602 859600356 /nfs/dbraw/zinc/60/03/56/859600356.db2.gz IQCPXPNNSBMQFB-UHFFFAOYSA-N 0 0 383.565 3.657 20 10 GHCDRN CCOc1cccc(CNC(=O)NCc2cccc(Br)c2O)c1 ZINC000764765501 859600520 /nfs/dbraw/zinc/60/05/20/859600520.db2.gz UNSBVTGIASWIQF-UHFFFAOYSA-N 0 0 379.254 3.553 20 10 GHCDRN CCC(CC)(CNC(=O)NCc1cccc(Br)c1O)SC ZINC000764792001 859611066 /nfs/dbraw/zinc/61/10/66/859611066.db2.gz QNTGRBZNFJJZQB-UHFFFAOYSA-N 0 0 375.332 3.876 20 10 GHCDRN CCOc1cccc(CCNC(=O)NCc2cccc(Br)c2O)c1 ZINC000764800469 859613545 /nfs/dbraw/zinc/61/35/45/859613545.db2.gz OXZFRCAUVXJAGN-UHFFFAOYSA-N 0 0 393.281 3.595 20 10 GHCDRN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)NCc1cccc(Br)c1O ZINC000764804913 859617397 /nfs/dbraw/zinc/61/73/97/859617397.db2.gz JYBCDAJHSJLYMQ-CABCVRRESA-N 0 0 385.302 3.548 20 10 GHCDRN CC1(CNC(=O)NCc2cccc(Br)c2O)Cc2ccccc2C1 ZINC000764806784 859623908 /nfs/dbraw/zinc/62/39/08/859623908.db2.gz QVKYZBFCOVNNSC-UHFFFAOYSA-N 0 0 389.293 3.759 20 10 GHCDRN CS[C@@H](CNC(=O)NCc1cccc(Br)c1O)C(C)(C)C ZINC000764808412 859623987 /nfs/dbraw/zinc/62/39/87/859623987.db2.gz XTSFXCXBHRTLSH-LBPRGKRZSA-N 0 0 375.332 3.732 20 10 GHCDRN CN1CCCc2cc(CNC(=O)[C@H](O)c3cc(Cl)cc(Cl)c3)ccc21 ZINC000764929406 859685474 /nfs/dbraw/zinc/68/54/74/859685474.db2.gz IZTIWQZRTGYJPH-GOSISDBHSA-N 0 0 379.287 3.726 20 10 GHCDRN CN(C)c1cc(C(F)(F)F)nc(NCc2cccc(Br)c2O)n1 ZINC000764934088 859690308 /nfs/dbraw/zinc/69/03/08/859690308.db2.gz IXIFQXQVVHFGMF-UHFFFAOYSA-N 0 0 391.191 3.642 20 10 GHCDRN C[C@@H](CCC(=O)NCc1ccc(N2CCCCC2)cc1)NC(=O)OC(C)(C)C ZINC000765258185 859868879 /nfs/dbraw/zinc/86/88/79/859868879.db2.gz ORTQHKSAFBFYRQ-KRWDZBQOSA-N 0 0 389.540 3.987 20 10 GHCDRN COc1ccc(-c2ccc(/C=C3/SC(=S)N(C)C3=O)o2)c([N+](=O)[O-])c1 ZINC000096475648 859883520 /nfs/dbraw/zinc/88/35/20/859883520.db2.gz JWRCRNHEYCKLGB-RIYZIHGNSA-N 0 0 376.415 3.694 20 10 GHCDRN CC[C@H](C)n1nc(NC(=O)NCc2cccc(Br)c2O)cc1C ZINC000765339654 859918578 /nfs/dbraw/zinc/91/85/78/859918578.db2.gz OLGTYIZSSKPTMV-JTQLQIEISA-N 0 0 381.274 3.952 20 10 GHCDRN CC1CCN(c2ccc(C(=O)NCc3ccc4c(c3)CCCN4C)cn2)CC1 ZINC000727103412 859925799 /nfs/dbraw/zinc/92/57/99/859925799.db2.gz JBFIUBGUTLRUBP-UHFFFAOYSA-N 0 0 378.520 3.630 20 10 GHCDRN CC(C)CCn1nccc1NC(=O)NCc1cccc(Br)c1O ZINC000765362744 859929070 /nfs/dbraw/zinc/92/90/70/859929070.db2.gz PGAUNAWAYDAVBJ-UHFFFAOYSA-N 0 0 381.274 3.719 20 10 GHCDRN Cc1ccc(-c2ocnc2C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000172991459 859937141 /nfs/dbraw/zinc/93/71/41/859937141.db2.gz 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ZINC000727466936 860105258 /nfs/dbraw/zinc/10/52/58/860105258.db2.gz JNAVNNKVUGLFRV-IYBDPMFKSA-N 0 0 382.483 3.616 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)N[C@H](c1cccnc1)C1CC1 ZINC000765533976 860105922 /nfs/dbraw/zinc/10/59/22/860105922.db2.gz LYNIQGONLQDLMF-HNNXBMFYSA-N 0 0 376.254 3.500 20 10 GHCDRN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cn(-c2ccccc2)nn1 ZINC000727743858 860200098 /nfs/dbraw/zinc/20/00/98/860200098.db2.gz HSTOTKHZFDKTFM-GXDHUFHOSA-N 0 0 375.457 3.600 20 10 GHCDRN Oc1c(Br)cccc1CNC(=S)N[C@H]1CCOc2ccccc21 ZINC000765992924 860238415 /nfs/dbraw/zinc/23/84/15/860238415.db2.gz QZENNYQTUJITIS-AWEZNQCLSA-N 0 0 393.306 3.643 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3COc4ccccc4C3)ccc21 ZINC000484693933 860278408 /nfs/dbraw/zinc/27/84/08/860278408.db2.gz FMVQULUXCMOIMA-LJQANCHMSA-N 0 0 378.472 3.638 20 10 GHCDRN CCOC(=O)Cn1ccc2cc(NC(=O)NCc3ccc(N(C)C)cc3)ccc21 ZINC000727839827 860289430 /nfs/dbraw/zinc/28/94/30/860289430.db2.gz NRBUHIAIPJYEKL-UHFFFAOYSA-N 0 0 394.475 3.592 20 10 GHCDRN CCCCC(=O)N1CSC[C@@H]1C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000727987141 860337292 /nfs/dbraw/zinc/33/72/92/860337292.db2.gz SPVWEYNQDBQKDD-LJQANCHMSA-N 0 0 391.581 3.583 20 10 GHCDRN Cc1cc(C(=O)N(C)CC2(O)CCC2)c(C)n1-c1ccc(Br)cc1 ZINC000760078347 860347295 /nfs/dbraw/zinc/34/72/95/860347295.db2.gz KUTHPCWSRMLVOO-UHFFFAOYSA-N 0 0 391.309 3.844 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCOc4ccccc43)cc2F)C[C@@H](C)O1 ZINC000728179613 860451653 /nfs/dbraw/zinc/45/16/53/860451653.db2.gz RKKYAMKSRIVRPP-GPMSIDNRSA-N 0 0 398.478 3.622 20 10 GHCDRN CN(C)c1ccc(CNC(=O)CSc2nnc(-c3ccccc3)s2)cc1 ZINC000729939887 860468342 /nfs/dbraw/zinc/46/83/42/860468342.db2.gz OMDKJWZVARJHNG-UHFFFAOYSA-N 0 0 384.530 3.680 20 10 GHCDRN O=C(CCC(=O)c1ccc(F)cc1F)NCc1cccc(Br)c1O ZINC000765729158 860490520 /nfs/dbraw/zinc/49/05/20/860490520.db2.gz YROBDGIORGRWBY-UHFFFAOYSA-N 0 0 398.203 3.712 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)c1ccc(-c2ccccc2)[nH]c1=O ZINC000765737255 860532578 /nfs/dbraw/zinc/53/25/78/860532578.db2.gz SNSPNGIYODNHMJ-UHFFFAOYSA-N 0 0 399.244 3.852 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)c1cnc(-c2ccccc2)nc1 ZINC000765736559 860533298 /nfs/dbraw/zinc/53/32/98/860533298.db2.gz OKZVDQXUNTVRMJ-UHFFFAOYSA-N 0 0 384.233 3.542 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000840479092 860556055 /nfs/dbraw/zinc/55/60/55/860556055.db2.gz LRFNUSVXFFMQSD-GJZGRUSLSA-N 0 0 395.507 3.634 20 10 GHCDRN COc1ccc(/C=C\C(=O)NCc2cccc(Br)c2O)cc1OC ZINC000765751908 860569841 /nfs/dbraw/zinc/56/98/41/860569841.db2.gz UOEMPAIQSXJXID-CLFYSBASSA-N 0 0 392.249 3.502 20 10 GHCDRN CCOc1ccc(CN(CC2(CO)COC2)c2ccc(OC)c(Cl)c2)cc1 ZINC000132636624 860586580 /nfs/dbraw/zinc/58/65/80/860586580.db2.gz GYZBGGNDCYMHSP-UHFFFAOYSA-N 0 0 391.895 3.763 20 10 GHCDRN Cc1nc(CC(F)(F)F)sc1CC(=O)NCCCSc1nccs1 ZINC000896334387 860648896 /nfs/dbraw/zinc/64/88/96/860648896.db2.gz MOTQEAWTNZWAPH-UHFFFAOYSA-N 0 0 395.497 3.854 20 10 GHCDRN CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3cc(C)cc(Br)c3[O-])C2)n1 ZINC000922863453 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COCCOC[C@H]1CCN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1 ZINC000173161029 864416101 /nfs/dbraw/zinc/41/61/01/864416101.db2.gz IVSKMHSTLJTGMI-KRWDZBQOSA-N 0 0 390.911 3.873 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cccc2cccnc21 ZINC000734743088 864417425 /nfs/dbraw/zinc/41/74/25/864417425.db2.gz JXIKVPURTDSUDF-UHFFFAOYSA-N 0 0 383.517 3.900 20 10 GHCDRN Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c(-c2cccnc2)n1 ZINC000063276533 864444636 /nfs/dbraw/zinc/44/46/36/864444636.db2.gz ISNLPROCVGRVAH-YBEGLDIGSA-N 0 0 378.482 3.888 20 10 GHCDRN CN1CCCc2cc(CNC(=O)N[C@@H]3CCCN(c4cccc(F)c4)C3)ccc21 ZINC000734943698 864524438 /nfs/dbraw/zinc/52/44/38/864524438.db2.gz YDGSTSCKYQINKP-HXUWFJFHSA-N 0 0 396.510 3.676 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Nc3nc(C(C)(C)C)ns3)CC2)cc1 ZINC000734933600 864544715 /nfs/dbraw/zinc/54/47/15/864544715.db2.gz YJKCKVOBBZNKKO-UHFFFAOYSA-N 0 0 389.525 3.588 20 10 GHCDRN O=C(N[C@@H]1CCC(F)(F)C1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000763701623 864634044 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Cc1ncccc1OC[C@H]1CCCN1C(=O)NCCCSc1nccs1 ZINC000842180979 864799841 /nfs/dbraw/zinc/79/98/41/864799841.db2.gz RUMOZZGDLGCTLD-OAHLLOKOSA-N 0 0 392.550 3.582 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N3CC(C)(c4ccccc4)C3)CC2)cc1 ZINC000856855945 881804649 /nfs/dbraw/zinc/80/46/49/881804649.db2.gz MPKQAFYQYKGOSF-UHFFFAOYSA-N 0 0 379.504 3.647 20 10 GHCDRN COC(=O)[C@H](OC(=O)c1sc2nc(C)cc(C)c2c1N)c1ccc(F)cc1 ZINC000735532955 864842286 /nfs/dbraw/zinc/84/22/86/864842286.db2.gz RQONMMDXJRXTFO-OAHLLOKOSA-N 0 0 388.420 3.706 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N[C@@H]3CSc4ccccc43)CC2)cc1 ZINC000735579870 864862295 /nfs/dbraw/zinc/86/22/95/864862295.db2.gz MOHGIEQYOXAVMN-LJQANCHMSA-N 0 0 383.517 3.810 20 10 GHCDRN Cc1cc(C(=O)CSCc2nnc(C)o2)c(C)n1-c1ccc(Cl)cn1 ZINC000842194092 864865333 /nfs/dbraw/zinc/86/53/33/864865333.db2.gz RQYCLOWPXRZGKI-UHFFFAOYSA-N 0 0 376.869 3.950 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCCCOCC(C)C ZINC000173550497 864867030 /nfs/dbraw/zinc/86/70/30/864867030.db2.gz ZHEBEHVXFUVWTP-UHFFFAOYSA-N 0 0 387.318 3.749 20 10 GHCDRN Cc1coc2ccc(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)cc12 ZINC000184716398 864879795 /nfs/dbraw/zinc/87/97/95/864879795.db2.gz NZUHAESTLWKWBD-UHFFFAOYSA-N 0 0 378.428 3.581 20 10 GHCDRN COC(=O)c1ccc(NC(=S)NCCCN(C)c2ccccc2)cc1Cl ZINC000735626942 864889950 /nfs/dbraw/zinc/88/99/50/864889950.db2.gz TVUYSZLUYYVMBH-UHFFFAOYSA-N 0 0 391.924 3.940 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Cc2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000173611681 864900701 /nfs/dbraw/zinc/90/07/01/864900701.db2.gz LXRMDMMWQFYBQK-UHFFFAOYSA-N 0 0 379.504 3.740 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCC(=O)NC1CCCCC1 ZINC000735886694 865030032 /nfs/dbraw/zinc/03/00/32/865030032.db2.gz HCUGRQSKJVTTQW-UHFFFAOYSA-N 0 0 388.556 3.512 20 10 GHCDRN Cc1c(C(=O)N(Cc2ccco2)Cc2ccccc2O)[nH]c2c1C(=O)CCC2 ZINC000735930900 865056383 /nfs/dbraw/zinc/05/63/83/865056383.db2.gz RRWZQWBMMHSEET-UHFFFAOYSA-N 0 0 378.428 3.983 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=S)Nc1ccc2c(c1)OCCO2 ZINC000840870973 865082330 /nfs/dbraw/zinc/08/23/30/865082330.db2.gz WOUPRRDNXWQHNB-OAHLLOKOSA-N 0 0 385.533 3.750 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)[C@@H]2CC(c3c(F)cccc3F)=NO2)C2CC2)cc1 ZINC000735997961 865083325 /nfs/dbraw/zinc/08/33/25/865083325.db2.gz HTZFSXNQHHEGGA-FQEVSTJZSA-N 0 0 399.441 3.715 20 10 GHCDRN Cc1cccc(C2(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)CCC2)c1 ZINC000736195482 865153593 /nfs/dbraw/zinc/15/35/93/865153593.db2.gz HJYYDGCIDMELFN-UHFFFAOYSA-N 0 0 392.543 3.942 20 10 GHCDRN CCOC(=O)N1[C@H](C(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1c1ccc(C)o1 ZINC000736458373 865211644 /nfs/dbraw/zinc/21/16/44/865211644.db2.gz FFBROAAXNYHAOI-OALUTQOASA-N 0 0 399.491 3.632 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1nc(-c2cccc(Cl)c2)no1 ZINC000301199616 865220421 /nfs/dbraw/zinc/22/04/21/865220421.db2.gz POOUQEPGRVWPLY-UHFFFAOYSA-N 0 0 384.867 3.863 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)N[C@@H](Cc3ccccc3)C3CC3)CC2)cc1 ZINC000736668232 865260545 /nfs/dbraw/zinc/26/05/45/865260545.db2.gz SSCBOYIBBQSBDX-QHCPKHFHSA-N 0 0 393.531 3.938 20 10 GHCDRN COc1cccc(CNC(=O)N[C@H](C)Cc2ccc(Br)cc2)c1O ZINC000174076036 865380068 /nfs/dbraw/zinc/38/00/68/865380068.db2.gz UITUXIIMYANBSM-GFCCVEGCSA-N 0 0 393.281 3.594 20 10 GHCDRN CC[C@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000737305493 865389199 /nfs/dbraw/zinc/38/91/99/865389199.db2.gz ODOKEIDNHDXCMF-BTYIYWSLSA-N 0 0 382.464 3.954 20 10 GHCDRN COc1cccc(C2(CNC(=O)NCc3ccc(OC)cc3O)CCCC2)c1 ZINC000792997421 881866932 /nfs/dbraw/zinc/86/69/32/881866932.db2.gz LRDGFSIWWGWMFY-UHFFFAOYSA-N 0 0 384.476 3.721 20 10 GHCDRN CN(Cc1cccc(Cl)c1Cl)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301688344 865494483 /nfs/dbraw/zinc/49/44/83/865494483.db2.gz MMPUMACDNDXJTA-UHFFFAOYSA-N 0 0 382.203 3.869 20 10 GHCDRN Cc1cc(C(=O)CN2CCCN(C(=O)C(C)C)CC2)c(C)n1-c1ccccc1C ZINC000738315738 865528762 /nfs/dbraw/zinc/52/87/62/865528762.db2.gz ZRAMRRZACZBLEQ-UHFFFAOYSA-N 0 0 395.547 3.776 20 10 GHCDRN Cc1ccc([C@H](C)CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000738462128 865557158 /nfs/dbraw/zinc/55/71/58/865557158.db2.gz VVOHQMGLBDHRJI-RTBURBONSA-N 0 0 381.520 3.996 20 10 GHCDRN COc1ccccc1[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000738461597 865557208 /nfs/dbraw/zinc/55/72/08/865557208.db2.gz VZJPMXUKGWJRLC-LJQANCHMSA-N 0 0 379.504 3.995 20 10 GHCDRN CSC1(CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CCOCC1 ZINC000174275531 865696487 /nfs/dbraw/zinc/69/64/87/865696487.db2.gz XIQWXWOJQUQNOM-UHFFFAOYSA-N 0 0 376.497 3.875 20 10 GHCDRN Cc1cc(C(=O)OC[C@@H]2CC(=O)N(c3ccccc3)C2)c(C)n1-c1ccccn1 ZINC000739222611 865705480 /nfs/dbraw/zinc/70/54/80/865705480.db2.gz VDJYETHFHVOYDI-GOSISDBHSA-N 0 0 389.455 3.699 20 10 GHCDRN Cc1nc(N(C)Cc2ccc(N3CCOCC3)cc2)ccc1Br ZINC000302097043 865711025 /nfs/dbraw/zinc/71/10/25/865711025.db2.gz SPLMJDMKQUJPIS-UHFFFAOYSA-N 0 0 376.298 3.626 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCc1nc(-c2ccoc2)no1 ZINC000739507697 865728668 /nfs/dbraw/zinc/72/86/68/865728668.db2.gz MMUXVKYMFJOMIN-UHFFFAOYSA-N 0 0 382.464 3.765 20 10 GHCDRN CC1CCN(c2cccc(NC(=O)c3ccc(Cn4cncn4)cc3)c2)CC1 ZINC000739598853 865756997 /nfs/dbraw/zinc/75/69/97/865756997.db2.gz MDBRTPHUTYLOAJ-UHFFFAOYSA-N 0 0 375.476 3.815 20 10 GHCDRN CCCCOc1ccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)cc1 ZINC000739767848 865799252 /nfs/dbraw/zinc/79/92/52/865799252.db2.gz GQIUKEFLVWAMJA-UHFFFAOYSA-N 0 0 395.503 3.820 20 10 GHCDRN CCOc1ccc(N(C)CC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)cc1 ZINC000739922954 865828800 /nfs/dbraw/zinc/82/88/00/865828800.db2.gz ADGXXXGZDBLOML-UHFFFAOYSA-N 0 0 378.476 3.963 20 10 GHCDRN CN(C)c1ccc(CNC(=O)[C@@H](c2c(F)cccc2Cl)N(C)C)cc1F ZINC000740702509 865982098 /nfs/dbraw/zinc/98/20/98/865982098.db2.gz WQEXETAVBOLRDI-GOSISDBHSA-N 0 0 381.854 3.603 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)[C@H](c2c(F)cccc2Cl)N(C)C)cc1 ZINC000740740417 865988805 /nfs/dbraw/zinc/98/88/05/865988805.db2.gz UFJTYMSKFKSCTF-IBGZPJMESA-N 0 0 377.891 3.806 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-n2cnc3ccccc32)cc1 ZINC000185387832 866045432 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O=C(NCc1ccc(N2CCOCC2)cc1)C(c1ccccc1)c1ccccc1 ZINC000054285121 866216027 /nfs/dbraw/zinc/21/60/27/866216027.db2.gz OZFTWXJDBIESDW-UHFFFAOYSA-N 0 0 386.495 3.972 20 10 GHCDRN CC(C)CCc1ccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000741097801 866238028 /nfs/dbraw/zinc/23/80/28/866238028.db2.gz YXBNETYNFNKEFR-UHFFFAOYSA-N 0 0 391.515 3.906 20 10 GHCDRN C[C@@H](NC(=O)c1c(F)ccc(F)c1Cl)c1ccc(N2CCOCC2)cc1 ZINC000857047664 881959779 /nfs/dbraw/zinc/95/97/79/881959779.db2.gz QKIOKCDSKDRGCW-GFCCVEGCSA-N 0 0 380.822 3.946 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H](O)c1c(F)cccc1Cl ZINC000741269861 866343425 /nfs/dbraw/zinc/34/34/25/866343425.db2.gz LEIIISUGNCTYQT-GOSISDBHSA-N 0 0 391.874 3.612 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cc(N3CCOC3=O)ccc2F)cc1 ZINC000741529356 866576907 /nfs/dbraw/zinc/57/69/07/866576907.db2.gz NDXYRXAMTBMSJN-UHFFFAOYSA-N 0 0 399.466 3.901 20 10 GHCDRN CCN(CC)c1ccc(CN(C)CC(=O)c2[nH]c(C)c(C(=O)OC)c2C)cc1 ZINC000741677839 866716862 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C[C@@H]1CCN(C(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)[C@@H]1C ZINC001126848228 867136899 /nfs/dbraw/zinc/13/68/99/867136899.db2.gz YYQFLTKTEQZGHG-BPLGGGKVSA-N 0 0 392.521 3.674 20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)c3cccc4cc[nH]c43)cc2F)C[C@H](C)O1 ZINC000742557953 867373071 /nfs/dbraw/zinc/37/30/71/867373071.db2.gz XTERHNOPLGTFAD-GJZGRUSLSA-N 0 0 381.451 3.851 20 10 GHCDRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](C(=O)NCc2ccccc2O)C1 ZINC000843831493 867391650 /nfs/dbraw/zinc/39/16/50/867391650.db2.gz GVBJKGUSAIJCFW-GOSISDBHSA-N 0 0 382.460 3.543 20 10 GHCDRN CN(C)c1ccc([C@H](CNC(=O)/C=C\c2ccco2)NC(=O)OC(C)(C)C)cc1 ZINC000742752429 867549246 /nfs/dbraw/zinc/54/92/46/867549246.db2.gz GSNPZTMBAVYVAO-HSNDNRACSA-N 0 0 399.491 3.741 20 10 GHCDRN CCC/C=C\C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000742753914 867552403 /nfs/dbraw/zinc/55/24/03/867552403.db2.gz MPAHRCJYPBIEOM-LPADLIQXSA-N 0 0 375.513 3.791 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCN(C)C(=O)OC(C)(C)C ZINC000742787548 867555245 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GHCDRN Cc1cccc(O[C@@H](C)CNC(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000743554347 868259441 /nfs/dbraw/zinc/25/94/41/868259441.db2.gz BMHBLLZUSQCTQE-SFHVURJKSA-N 0 0 399.560 3.815 20 10 GHCDRN CS[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000743555168 868261328 /nfs/dbraw/zinc/26/13/28/868261328.db2.gz RMOFQAAKADSWMP-HDEZJCGLSA-N 0 0 395.544 3.523 20 10 GHCDRN C[C@@H]1[C@@H](C)CCCN1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000743555239 868261552 /nfs/dbraw/zinc/26/15/52/868261552.db2.gz SVHNHVWWHJRNMP-LSDHHAIUSA-N 0 0 399.457 3.872 20 10 GHCDRN CSCC[C@H](C)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743621335 868309003 /nfs/dbraw/zinc/30/90/03/868309003.db2.gz JSTKAESSCJZSKP-KBPBESRZSA-N 0 0 387.496 3.698 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000743641903 868334717 /nfs/dbraw/zinc/33/47/17/868334717.db2.gz KJPXTFKYYJCIJO-FCHUYYIVSA-N 0 0 385.552 3.663 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)Oc2cccc(Cl)c2)c1 ZINC000743673261 868340721 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CC(=O)N1CCN(c2ccc(CNC(=O)C[C@H]3CCCC(C)(C)C3)cc2)CC1 ZINC000786256336 876557110 /nfs/dbraw/zinc/55/71/10/876557110.db2.gz FMLADBQQIBJMMP-HXUWFJFHSA-N 0 0 385.552 3.578 20 10 GHCDRN O=[N+]([O-])c1c(NCc2ccc(N3CCC(CO)CC3)cc2)ccc2cnccc21 ZINC000858354522 883044424 /nfs/dbraw/zinc/04/44/24/883044424.db2.gz RWQLPRZMZCLOQB-UHFFFAOYSA-N 0 0 392.459 3.964 20 10 GHCDRN O=[N+]([O-])c1c(NCc2ccc(N3CCOCC3)c(F)c2)ccc2cnccc21 ZINC000858356360 883045006 /nfs/dbraw/zinc/04/50/06/883045006.db2.gz WAJVZVYLWCXRIW-UHFFFAOYSA-N 0 0 382.395 3.731 20 10 GHCDRN Cc1cc(C(=O)COC(=O)C[C@H](C)[C@H]2CCCO2)c(C)n1-c1ccc(F)cn1 ZINC000850087400 876652624 /nfs/dbraw/zinc/65/26/24/876652624.db2.gz RWDPAMHUIDBNIM-ORAYPTAESA-N 0 0 388.439 3.559 20 10 GHCDRN Cc1cc(N2CCOCC2)ccc1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000174924547 883054030 /nfs/dbraw/zinc/05/40/30/883054030.db2.gz BSNZSVSYTVPBHA-UHFFFAOYSA-N 0 0 395.503 3.738 20 10 GHCDRN Cc1cccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1Cl ZINC000174928311 883054810 /nfs/dbraw/zinc/05/48/10/883054810.db2.gz GWXHTCYQPMEGTH-UHFFFAOYSA-N 0 0 377.847 3.946 20 10 GHCDRN C[C@H]1C[C@H](NCc2ccc(N3CCCCC3)c(Br)c2)c2ncnn21 ZINC000850352636 876842858 /nfs/dbraw/zinc/84/28/58/876842858.db2.gz CSHJLLSXTSNRFO-BBRMVZONSA-N 0 0 390.329 3.827 20 10 GHCDRN CCOc1ccc(CNc2cnn(C(C)(C)C(=O)OC(C)(C)C)c2)c(O)c1 ZINC000850365276 876852418 /nfs/dbraw/zinc/85/24/18/876852418.db2.gz DKCBGIYALCOCMC-UHFFFAOYSA-N 0 0 375.469 3.676 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc3c(c2)C=CCCC3)c1 ZINC000850366409 876853751 /nfs/dbraw/zinc/85/37/51/876853751.db2.gz ZBKHWBRMMRZHNF-AWEZNQCLSA-N 0 0 380.444 3.566 20 10 GHCDRN Cc1ccc(C(F)(F)F)c(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000850373628 876859381 /nfs/dbraw/zinc/85/93/81/876859381.db2.gz BKZZUIAGOHKDQC-UHFFFAOYSA-N 0 0 393.409 3.643 20 10 GHCDRN Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(C(F)F)nc2)cc1 ZINC000850423071 876904553 /nfs/dbraw/zinc/90/45/53/876904553.db2.gz MOWSQGFMEFNJDO-UHFFFAOYSA-N 0 0 388.418 3.763 20 10 GHCDRN C[C@@H]([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1cc(Cl)c(Cl)cc1[O-] ZINC000850558464 877025594 /nfs/dbraw/zinc/02/55/94/877025594.db2.gz XRHVJAIISQWLHU-NXOUGTEYSA-N 0 0 385.335 3.993 20 10 GHCDRN C[C@@H]1CC[C@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)C1 ZINC000776478099 877037185 /nfs/dbraw/zinc/03/71/85/877037185.db2.gz CVZHIDNMKGOUNB-AYBZRNKSSA-N 0 0 389.540 3.871 20 10 GHCDRN C[C@@]12COC[C@]1(C)CN(C(=O)C(=O)Nc1ccc(N=Nc3ccccc3)cc1)C2 ZINC000850614717 877068717 /nfs/dbraw/zinc/06/87/17/877068717.db2.gz KUEXGXPBAQLKFV-SZPZYZBQSA-N 0 0 392.459 3.926 20 10 GHCDRN COc1ccccc1NC(=O)Cc1noc(-c2ccc(-n3cccc3)c(F)c2)n1 ZINC000109430751 877080399 /nfs/dbraw/zinc/08/03/99/877080399.db2.gz FWVXNBQKQOHWKB-UHFFFAOYSA-N 0 0 392.390 3.856 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cc(F)cc(F)c1[O-] ZINC000786983548 877088796 /nfs/dbraw/zinc/08/87/96/877088796.db2.gz VVRZCLWGFGDSDV-VOJFVSQTSA-N 0 0 396.384 3.790 20 10 GHCDRN O=C(COC(=O)c1cc2ccccc2n1CC(F)(F)F)c1ccc(O)c(O)c1 ZINC000787189861 877237872 /nfs/dbraw/zinc/23/78/72/877237872.db2.gz RVBSGARTQRTFAC-UHFFFAOYSA-N 0 0 393.317 3.655 20 10 GHCDRN COc1ccc2c(c1)CCCN2CN1C[C@@H](c2cc(F)c(F)c(F)c2)CC1=O ZINC000787226646 877279237 /nfs/dbraw/zinc/27/92/37/877279237.db2.gz VRLDXGRHGPYTNZ-HNNXBMFYSA-N 0 0 390.405 3.839 20 10 GHCDRN C[C@H](NC(=O)C(=O)NC1CCC(c2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000787317560 877343140 /nfs/dbraw/zinc/34/31/40/877343140.db2.gz BVWMGKSATFSMTJ-RPCJCACASA-N 0 0 393.531 3.772 20 10 GHCDRN C[C@H](NC(=O)NCc1nc(-c2cccc(F)c2)no1)c1ccc(N(C)C)cc1 ZINC000787317671 877343706 /nfs/dbraw/zinc/34/37/06/877343706.db2.gz LGYBXSQHNDUUPA-ZDUSSCGKSA-N 0 0 383.427 3.502 20 10 GHCDRN COC(=O)[C@H]1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)[C@@H]1C ZINC000787326762 877346177 /nfs/dbraw/zinc/34/61/77/877346177.db2.gz VLSGJKRSUTZPER-BEFAXECRSA-N 0 0 380.448 3.924 20 10 GHCDRN CC[C@H](NC(=O)C(=O)NCCCSc1nccs1)c1cccc(Cl)c1 ZINC000787349236 877366907 /nfs/dbraw/zinc/36/69/07/877366907.db2.gz KIAFWOBYLNUWIQ-AWEZNQCLSA-N 0 0 397.953 3.662 20 10 GHCDRN COc1ccccc1O[C@H](C)CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000175638553 877411619 /nfs/dbraw/zinc/41/16/19/877411619.db2.gz DLUMROMYNLSFMW-QGZVFWFLSA-N 0 0 383.492 3.562 20 10 GHCDRN CN(CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)Cc1ccccc1O ZINC000109771749 877427951 /nfs/dbraw/zinc/42/79/51/877427951.db2.gz MXECNUZXRDQYEN-UHFFFAOYSA-N 0 0 389.427 3.864 20 10 GHCDRN C[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@H]1c1ccccc1 ZINC000175674217 877450774 /nfs/dbraw/zinc/45/07/74/877450774.db2.gz JFUZGEKXNZQXMU-HRAATJIYSA-N 0 0 383.467 3.565 20 10 GHCDRN COc1ccc(N(Cc2cccs2)[C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000109836662 877501271 /nfs/dbraw/zinc/50/12/71/877501271.db2.gz NFPPXJKGUXAKTN-INIZCTEOSA-N 0 0 384.423 3.927 20 10 GHCDRN COc1ccc(N(Cc2cccs2)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000109836659 877501417 /nfs/dbraw/zinc/50/14/17/877501417.db2.gz NFPPXJKGUXAKTN-MRXNPFEDSA-N 0 0 384.423 3.927 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000179519283 877671879 /nfs/dbraw/zinc/67/18/79/877671879.db2.gz KTTWXYOZBINGLS-UHFFFAOYSA-N 0 0 390.439 3.568 20 10 GHCDRN C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000746725220 877766663 /nfs/dbraw/zinc/76/66/63/877766663.db2.gz CTVZOSBSOREFFE-MRXNPFEDSA-N 0 0 395.503 3.618 20 10 GHCDRN CN1CCCc2cc(CNC(=O)NC[C@@H]3CCN(c4ccc(F)cc4)C3)ccc21 ZINC000746725013 877796828 /nfs/dbraw/zinc/79/68/28/877796828.db2.gz WYVLLFXPKYMRST-SFHVURJKSA-N 0 0 396.510 3.534 20 10 GHCDRN Cc1cccc(CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1O ZINC000179685454 877864162 /nfs/dbraw/zinc/86/41/62/877864162.db2.gz IIOLGZSWEPDUJH-UHFFFAOYSA-N 0 0 378.394 3.677 20 10 GHCDRN COC(=O)c1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1C ZINC000746738532 877967260 /nfs/dbraw/zinc/96/72/60/877967260.db2.gz GAGOZJOZQZWBTP-SFHVURJKSA-N 0 0 398.459 3.700 20 10 GHCDRN O=C(NCCc1cc(F)ccc1F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000176454394 877988869 /nfs/dbraw/zinc/98/88/69/877988869.db2.gz GXJXGYOEHHQHSQ-GOSISDBHSA-N 0 0 390.430 3.604 20 10 GHCDRN CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001183138808 912298481 /nfs/dbraw/zinc/29/84/81/912298481.db2.gz NUZQQNJFDLNWJZ-FNEOHHHZSA-N 0 0 395.528 3.783 20 10 GHCDRN CCOc1cccc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)c1O ZINC000285464370 912300054 /nfs/dbraw/zinc/30/00/54/912300054.db2.gz JZSVVVSKVHKRHB-GOSISDBHSA-N 0 0 380.282 3.551 20 10 GHCDRN COc1ccc2c(c1)CCN(C(=O)NCc1ccc(N3CCSCC3)cc1)C2 ZINC000851991051 878019325 /nfs/dbraw/zinc/01/93/25/878019325.db2.gz CMNJVZRXLZVYHC-UHFFFAOYSA-N 0 0 397.544 3.516 20 10 GHCDRN CC(C)CC(CC(C)C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852059229 878055439 /nfs/dbraw/zinc/05/54/39/878055439.db2.gz YHMUVOWVUVTBDF-UHFFFAOYSA-N 0 0 375.557 3.908 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NCCc3ccc(C)cc3C)CC2)cc1 ZINC000110466952 878133303 /nfs/dbraw/zinc/13/33/03/878133303.db2.gz CKPUHFBKLKYNIG-UHFFFAOYSA-N 0 0 381.520 3.823 20 10 GHCDRN CCOCCC1(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCCC1 ZINC000852204385 878142236 /nfs/dbraw/zinc/14/22/36/878142236.db2.gz QRJLNPGJPSOAKJ-GOSISDBHSA-N 0 0 389.540 3.560 20 10 GHCDRN CCC(CC)[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCO1 ZINC000852246542 878168232 /nfs/dbraw/zinc/16/82/32/878168232.db2.gz KMEPNMRNEAACFK-UEXGIBASSA-N 0 0 389.540 3.557 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N(C)Cc3c[nH]cn3)cc2Cl)C1 ZINC000852308857 878226184 /nfs/dbraw/zinc/22/61/84/878226184.db2.gz PZDJNGHQMALPKV-CQSZACIVSA-N 0 0 375.904 3.641 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1ccc(C2CC2)cc1F ZINC000852353295 878273545 /nfs/dbraw/zinc/27/35/45/878273545.db2.gz YOOLESXJXLJMFY-UHFFFAOYSA-N 0 0 397.494 3.664 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)NCC[C@@]3(C)CC3(Cl)Cl)C2)cc1 ZINC000852371612 878282565 /nfs/dbraw/zinc/28/25/65/878282565.db2.gz ILDHWCNCURZPPZ-DYVFJYSZSA-N 0 0 386.323 3.547 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC([C@H]2CCCCO2)CC1 ZINC000852384575 878291869 /nfs/dbraw/zinc/29/18/69/878291869.db2.gz DUIDDWAMDNOSRR-XMSQKQJNSA-N 0 0 387.568 3.983 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NCC(F)(F)c3ccccc3)CC2)cc1 ZINC000788766165 878302175 /nfs/dbraw/zinc/30/21/75/878302175.db2.gz OBACJBUQXRCJHH-UHFFFAOYSA-N 0 0 389.446 3.755 20 10 GHCDRN CCNC(=O)Nc1cccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1C ZINC000788735360 878309635 /nfs/dbraw/zinc/30/96/35/878309635.db2.gz PDPKCTDYZHEQNQ-UHFFFAOYSA-N 0 0 393.491 3.834 20 10 GHCDRN CC[C@@H](Cc1ccc(F)cc1)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852442903 878323639 /nfs/dbraw/zinc/32/36/39/878323639.db2.gz HPAYIHHIIMPVOY-FQEVSTJZSA-N 0 0 399.510 3.607 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N3CC4(CCC4)[C@@H]3c3ccncc3)C2)cc1 ZINC000852450720 878330392 /nfs/dbraw/zinc/33/03/92/878330392.db2.gz SVWHHRYORDEBFE-NQIIRXRSSA-N 0 0 392.503 3.606 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N(C)[C@H](C)c3sc(C)nc3C)C2)cc1 ZINC000852454006 878334985 /nfs/dbraw/zinc/33/49/85/878334985.db2.gz NNXIMTMPJKNPHN-GDBMZVCRSA-N 0 0 388.537 3.750 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N(Cc3ccco3)Cc3ccco3)C2)cc1 ZINC000852455245 878335079 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GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1 ZINC000788965449 878473237 /nfs/dbraw/zinc/47/32/37/878473237.db2.gz HTJJYQIEOANFMG-MRXNPFEDSA-N 0 0 385.483 3.508 20 10 GHCDRN Cc1ccc([C@@H](C)N(C)C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c(C)c1 ZINC000788931805 878480269 /nfs/dbraw/zinc/48/02/69/878480269.db2.gz GVIZDUUDENDXEV-LJQANCHMSA-N 0 0 393.531 3.739 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H]2CCCc3ccccc32)cc1 ZINC000788934023 878481479 /nfs/dbraw/zinc/48/14/79/878481479.db2.gz ZFCFTGISLJUYFI-JOCHJYFZSA-N 0 0 393.531 3.685 20 10 GHCDRN Nc1ccc(NC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)cc1 ZINC000238014395 878542361 /nfs/dbraw/zinc/54/23/61/878542361.db2.gz ICWRPNVJMOQYDW-UHFFFAOYSA-N 0 0 379.391 3.678 20 10 GHCDRN CCOc1ccccc1CN(C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068480165 878610651 /nfs/dbraw/zinc/61/06/51/878610651.db2.gz UIUFPXMFURFGMD-GOSISDBHSA-N 0 0 397.519 3.825 20 10 GHCDRN CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068480109 878610731 /nfs/dbraw/zinc/61/07/31/878610731.db2.gz RMBPVAIVPSCJFK-SFHVURJKSA-N 0 0 397.519 3.825 20 10 GHCDRN CC(C)Oc1ccccc1CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068480035 878610934 /nfs/dbraw/zinc/61/09/34/878610934.db2.gz MRCDFNAQYQYDCL-SFHVURJKSA-N 0 0 397.519 3.871 20 10 GHCDRN COc1cccc(CNC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)c1O ZINC000068488931 878631246 /nfs/dbraw/zinc/63/12/46/878631246.db2.gz DFCZDPQHWGSKJS-UHFFFAOYSA-N 0 0 389.411 3.777 20 10 GHCDRN COc1ccc2c(CC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)coc2c1 ZINC000068512695 878656534 /nfs/dbraw/zinc/65/65/34/878656534.db2.gz GMHOBKSWMUEBJI-INIZCTEOSA-N 0 0 394.471 3.698 20 10 GHCDRN COc1cccc(S(=O)(=O)Oc2ccc3c(c2)c2c(n3C)CCCC2)c1F ZINC001212280659 878682207 /nfs/dbraw/zinc/68/22/07/878682207.db2.gz KUGYWPLOLWARFL-UHFFFAOYSA-N 0 0 389.448 3.973 20 10 GHCDRN Cn1c2ccc(OS(=O)(=O)c3cncc(Cl)c3)cc2c2c1CCCC2 ZINC001212281033 878718367 /nfs/dbraw/zinc/71/83/67/878718367.db2.gz YLZDJHVAZMOGBD-UHFFFAOYSA-N 0 0 376.865 3.873 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@H](N3CCCC3=O)C2)c(C)n1-c1cccc(C)c1 ZINC000111059286 878787104 /nfs/dbraw/zinc/78/71/04/878787104.db2.gz JCUVYQRHNPJJRU-FQEVSTJZSA-N 0 0 379.504 3.630 20 10 GHCDRN Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000746799212 878802162 /nfs/dbraw/zinc/80/21/62/878802162.db2.gz CNIVODVLKLCDKF-UHFFFAOYSA-N 0 0 393.409 3.643 20 10 GHCDRN COc1ccc(N2CCCN(c3nc(-c4ccccn4)nc(C)c3C)CC2)cc1 ZINC000068669161 878859387 /nfs/dbraw/zinc/85/93/87/878859387.db2.gz YTIIVNGYBCPTOW-UHFFFAOYSA-N 0 0 389.503 3.881 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)CN[C@@H](c2cc(F)ccc2F)C(F)F)cc1 ZINC000789340988 878869179 /nfs/dbraw/zinc/86/91/79/878869179.db2.gz RIPZHGGCVCGKPR-IBGZPJMESA-N 0 0 397.416 3.585 20 10 GHCDRN OC1CCN(c2ccc(CNc3cc(Cl)c4ncccc4n3)cc2F)CC1 ZINC000853195622 878887928 /nfs/dbraw/zinc/88/79/28/878887928.db2.gz RBAMVJDGHFBGOB-UHFFFAOYSA-N 0 0 386.858 3.996 20 10 GHCDRN COc1ccc(N2CCC(Nc3ccc(OCC(F)(F)F)nn3)CC2)cc1 ZINC000853252713 878934940 /nfs/dbraw/zinc/93/49/40/878934940.db2.gz RWVZAVKLFBXICH-UHFFFAOYSA-N 0 0 382.386 3.507 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc2c1OC(C)(C)C2 ZINC000789400390 878947018 /nfs/dbraw/zinc/94/70/18/878947018.db2.gz WOQHMQBRVQQFJI-UHFFFAOYSA-N 0 0 395.503 3.901 20 10 GHCDRN CCO[C@H](C)c1nc(CN2CCN(Cc3ccc(N(C)C)cc3)CC2)cs1 ZINC000093736938 912407706 /nfs/dbraw/zinc/40/77/06/912407706.db2.gz MBDBITIWNAGQPF-QGZVFWFLSA-N 0 0 388.581 3.624 20 10 GHCDRN CCOc1cccc(CN[C@H](C[C@H]2CCCc3ccccc32)C(=O)OC)c1O ZINC000789582833 879081259 /nfs/dbraw/zinc/08/12/59/879081259.db2.gz ZOONGDGNJDFIAC-YLJYHZDGSA-N 0 0 383.488 3.932 20 10 GHCDRN C[C@@H]1CN(c2ccccc2F)CCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000789589471 879086093 /nfs/dbraw/zinc/08/60/93/879086093.db2.gz LZHFSRLZSLACPU-QGZVFWFLSA-N 0 0 387.474 3.512 20 10 GHCDRN COc1ccc(N2CC[C@@H](Nc3nn4cc(-c5cccnc5)nc4s3)C2)cc1 ZINC000853758902 879264551 /nfs/dbraw/zinc/26/45/51/879264551.db2.gz MKJJXCYLTBRGSB-OAHLLOKOSA-N 0 0 392.488 3.552 20 10 GHCDRN CC(C)(C)OC(=O)NC1(CC(=O)NCCCSc2nccs2)CCC1 ZINC000746852266 879265187 /nfs/dbraw/zinc/26/51/87/879265187.db2.gz HGOPORLPIRGJJU-UHFFFAOYSA-N 0 0 385.555 3.579 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1n[nH]c2c1CCCCC2 ZINC000789813080 879299371 /nfs/dbraw/zinc/29/93/71/879299371.db2.gz CCOQDPSZIFHBMZ-UHFFFAOYSA-N 0 0 392.297 3.809 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3nc(C(F)(F)F)cs3)C2)cc1 ZINC000853818681 879305810 /nfs/dbraw/zinc/30/58/10/879305810.db2.gz ZHRWIWNRIWPQMY-JTQLQIEISA-N 0 0 386.399 3.571 20 10 GHCDRN CN(C)c1ccc(CNC(=O)c2ccccc2OCc2ccncc2)cc1F ZINC000746864445 879359206 /nfs/dbraw/zinc/35/92/06/879359206.db2.gz LCRPUWXXKIDYLD-UHFFFAOYSA-N 0 0 379.435 3.796 20 10 GHCDRN CN(Cc1ccco1)Cc1ccccc1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180810060 879367044 /nfs/dbraw/zinc/36/70/44/879367044.db2.gz UMYQYMXKTNZRKJ-PKNBQFBNSA-N 0 0 392.455 3.652 20 10 GHCDRN Cc1cc(CC(=O)OCc2nnc3n2CCCCC3)c(C)n1-c1ccccc1 ZINC000853933287 879380770 /nfs/dbraw/zinc/38/07/70/879380770.db2.gz ABFFVHYIJMYMIL-UHFFFAOYSA-N 0 0 378.476 3.698 20 10 GHCDRN CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2c[nH]c3cccc(F)c32)cc1 ZINC000790013225 879401696 /nfs/dbraw/zinc/40/16/96/879401696.db2.gz UAUUMHIAYXZCSS-UHFFFAOYSA-N 0 0 387.480 3.726 20 10 GHCDRN Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3c(F)ccc(O)c3O)c2)cc1 ZINC000790070058 879413363 /nfs/dbraw/zinc/41/33/63/879413363.db2.gz ZOOBYMRUEIVIMO-UHFFFAOYSA-N 0 0 394.402 3.728 20 10 GHCDRN C[C@@H](NC(=O)c1c(F)ccc(O)c1O)c1cccc(OCc2ccccn2)c1 ZINC000790070052 879413391 /nfs/dbraw/zinc/41/33/91/879413391.db2.gz ZKFOSPDBAIFGDA-CYBMUJFWSA-N 0 0 382.391 3.702 20 10 GHCDRN Cc1cc(C(=O)NCCC[C@@H](C)O)c(C)n1-c1ccccc1Br ZINC000790083758 879423261 /nfs/dbraw/zinc/42/32/61/879423261.db2.gz MPEOZCWSGKVGEW-CYBMUJFWSA-N 0 0 379.298 3.747 20 10 GHCDRN CCn1cccc(CNC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1=O ZINC000790081457 879423630 /nfs/dbraw/zinc/42/36/30/879423630.db2.gz PXDUZJFELSGSKM-UHFFFAOYSA-N 0 0 377.488 3.823 20 10 GHCDRN COc1cccc(/C=C2/SC(=S)N([C@H]3CCOc4ccccc43)C2=O)n1 ZINC000790107735 879442584 /nfs/dbraw/zinc/44/25/84/879442584.db2.gz JVXULAIOJDDUFE-LUYJPIOASA-N 0 0 384.482 3.815 20 10 GHCDRN O=C1/C(=C/c2ccc(-n3cncn3)c(F)c2)SC(=S)N1c1ccsc1 ZINC000790107290 879444214 /nfs/dbraw/zinc/44/42/14/879444214.db2.gz GEKXQIZSJMTEPZ-NSIKDUERSA-N 0 0 388.474 3.874 20 10 GHCDRN CC(C)=CCCNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000790203366 879522389 /nfs/dbraw/zinc/52/23/89/879522389.db2.gz CTJFGJYCWGXTQY-UHFFFAOYSA-N 0 0 385.430 3.698 20 10 GHCDRN COC[C@@H](NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C)[C@@H]1CCCO1 ZINC000790277956 879562323 /nfs/dbraw/zinc/56/23/23/879562323.db2.gz PAKLMZNENJMGIK-MOPGFXCFSA-N 0 0 376.884 3.671 20 10 GHCDRN CC(C)N(CCS(=O)(=O)c1ccc(F)cc1)Cc1ccc(N(C)C)cc1 ZINC000790267335 879580507 /nfs/dbraw/zinc/58/05/07/879580507.db2.gz WEWDTGPERWMCES-UHFFFAOYSA-N 0 0 378.513 3.576 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CC2CCC1CC2 ZINC000854224462 879643744 /nfs/dbraw/zinc/64/37/44/879643744.db2.gz XOZFLXJTDUXONV-YJBOJQDKSA-N 0 0 385.552 3.662 20 10 GHCDRN CC[C@@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1ccc(F)cc1[O-] ZINC000285876939 912482150 /nfs/dbraw/zinc/48/21/50/912482150.db2.gz ZFUDLYUCIIJWJW-VBKZILBWSA-N 0 0 386.467 3.991 20 10 GHCDRN Cc1cc(C(=O)CN2C[C@@H](C)OC3(CCOCC3)C2)c(C)n1-c1ccccc1C ZINC000790373105 879674643 /nfs/dbraw/zinc/67/46/43/879674643.db2.gz VGNRAZQRSUOBNR-LJQANCHMSA-N 0 0 396.531 3.855 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@H](C(F)(F)F)C3(C)C)C2)cc1 ZINC000854299286 879703512 /nfs/dbraw/zinc/70/35/12/879703512.db2.gz NCMZEVJYELPSAV-CZUORRHYSA-N 0 0 385.430 3.646 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccnn3C3CCCCC3)C2)cc1 ZINC000854302130 879706151 /nfs/dbraw/zinc/70/61/51/879706151.db2.gz IVXLTADHQLYIKJ-MRXNPFEDSA-N 0 0 383.496 3.797 20 10 GHCDRN COC[C@@H](NC(=O)N(Cc1ccccc1O)C1CCCCC1)C1CCOCC1 ZINC000854318967 879720426 /nfs/dbraw/zinc/72/04/26/879720426.db2.gz HQNQRCZZJKTJFK-HXUWFJFHSA-N 0 0 390.524 3.678 20 10 GHCDRN O=C(NCCCSc1nccs1)NCCc1nc2ccccc2s1 ZINC000152798727 879731963 /nfs/dbraw/zinc/73/19/63/879731963.db2.gz XEIZOZUCTZEYOY-UHFFFAOYSA-N 0 0 378.548 3.777 20 10 GHCDRN O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1cccc(O)c1O ZINC000790556949 879812254 /nfs/dbraw/zinc/81/22/54/879812254.db2.gz XLRDHGUYXADGSY-UHFFFAOYSA-N 0 0 394.393 3.511 20 10 GHCDRN C[C@@H](NC(=O)N1CCC(CC(F)(F)F)CC1)c1ccc(N2CCOCC2)cc1 ZINC000790688623 879925687 /nfs/dbraw/zinc/92/56/87/879925687.db2.gz DJCCHFLEPUMESM-OAHLLOKOSA-N 0 0 399.457 3.958 20 10 GHCDRN COc1ccc([C@@H]2C[C@H]2C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000112646270 880063607 /nfs/dbraw/zinc/06/36/07/880063607.db2.gz MTEYOTDSNWJUPE-PCCBWWKXSA-N 0 0 381.472 3.712 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c(C)n1-c1ccccn1 ZINC000112675321 880069288 /nfs/dbraw/zinc/06/92/88/880069288.db2.gz ABPBNBKQYCYFRF-SFHVURJKSA-N 0 0 396.535 3.504 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCCOc2c(F)cccc21 ZINC000181196905 880071398 /nfs/dbraw/zinc/07/13/98/880071398.db2.gz JNBCVURPXJMVOT-FQEVSTJZSA-N 0 0 381.451 3.915 20 10 GHCDRN O=C(c1cccc(O)c1O)N1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000790911744 880085898 /nfs/dbraw/zinc/08/58/98/880085898.db2.gz JKCZSQPSHRVDGX-UHFFFAOYSA-N 0 0 381.259 3.757 20 10 GHCDRN Cc1cc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c(C)n1-c1ccc(F)cc1 ZINC000791069869 880187873 /nfs/dbraw/zinc/18/78/73/880187873.db2.gz SPIHDZZOYOMWIY-JIGPKXGUSA-N 0 0 386.467 3.642 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cc(-c4ccc(F)cc4)no3)C2)cc1 ZINC000854981614 880195638 /nfs/dbraw/zinc/19/56/38/880195638.db2.gz XIVCPLCESZVNIV-OAHLLOKOSA-N 0 0 395.434 3.746 20 10 GHCDRN CCc1csc(CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)n1 ZINC000791341508 880342891 /nfs/dbraw/zinc/34/28/91/880342891.db2.gz RVIHEQIAJBFBGH-LJQANCHMSA-N 0 0 387.549 3.522 20 10 GHCDRN Cc1cc(C(=O)N2CCSC[C@H]2c2cnn(C)c2)c(C)n1-c1ccc(F)cc1 ZINC000791382216 880361076 /nfs/dbraw/zinc/36/10/76/880361076.db2.gz UXEIBQRDRCFGOB-FQEVSTJZSA-N 0 0 398.507 3.897 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3csc(Br)c3C)C2)cc1 ZINC000855225018 880370132 /nfs/dbraw/zinc/37/01/32/880370132.db2.gz HQAWZAAAAWORSO-LBPRGKRZSA-N 0 0 395.322 3.836 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)Cc3c[nH]c4cccc(Cl)c34)C2)cc1 ZINC000855225385 880370253 /nfs/dbraw/zinc/37/02/53/880370253.db2.gz KVJOXRDWFHGARU-OAHLLOKOSA-N 0 0 383.879 3.768 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3c(C)nc4ccccc4c3C)C2)cc1 ZINC000855227345 880370818 /nfs/dbraw/zinc/37/08/18/880370818.db2.gz XGUDYIMYEBPXRW-KRWDZBQOSA-N 0 0 375.472 3.869 20 10 GHCDRN CCOc1ccc(C[C@H](C)C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000855227787 880371942 /nfs/dbraw/zinc/37/19/42/880371942.db2.gz ZYDHECCMJFYRKS-HKUYNNGSSA-N 0 0 382.504 3.668 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)CCCCC(=O)c3ccc(F)cc3)C2)cc1 ZINC000855228077 880372003 /nfs/dbraw/zinc/37/20/03/880372003.db2.gz UWUJSRYHVNKMLB-IBGZPJMESA-N 0 0 398.478 3.973 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3sc(C)cc3Br)C2)cc1 ZINC000855227647 880372184 /nfs/dbraw/zinc/37/21/84/880372184.db2.gz ZEQZYCHMVJFUFO-LBPRGKRZSA-N 0 0 395.322 3.836 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(OCC(F)(F)F)cc3)C2)cc1 ZINC000855232170 880376795 /nfs/dbraw/zinc/37/67/95/880376795.db2.gz OTJPSUXXVIZCJN-OAHLLOKOSA-N 0 0 394.393 3.645 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)CCc3cn(C)c4ccccc34)C2)cc1 ZINC000855234406 880379318 /nfs/dbraw/zinc/37/93/18/880379318.db2.gz ZDWYEPZNGNAJFB-SFHVURJKSA-N 0 0 377.488 3.515 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cc(C)sc3Br)C2)cc1 ZINC000855234084 880379326 /nfs/dbraw/zinc/37/93/26/880379326.db2.gz RZAQWXVRSAUGNV-GFCCVEGCSA-N 0 0 395.322 3.836 20 10 GHCDRN Cc1cc(CC(=O)N[C@H]2C[C@@H](C)n3ncnc32)c(C)n1-c1ccc(Cl)cc1 ZINC000855325017 880455238 /nfs/dbraw/zinc/45/52/38/880455238.db2.gz FSHZVNANBMIFSJ-ACJLOTCBSA-N 0 0 383.883 3.704 20 10 GHCDRN CCCN(CCc1cccc(F)c1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000113382285 880550765 /nfs/dbraw/zinc/55/07/65/880550765.db2.gz NRIIOHVQEAUJNY-UHFFFAOYSA-N 0 0 399.510 3.827 20 10 GHCDRN CCO[C@H]1C[C@H](NC(=O)c2cc(C)n(-c3ccc(Br)cn3)c2C)C1 ZINC000855524270 880559147 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ZINC000866568434 888941444 /nfs/dbraw/zinc/94/14/44/888941444.db2.gz ZXLBSRPSNCAEFQ-GFCCVEGCSA-N 0 0 384.858 3.699 20 10 GHCDRN O=C1/C(=C/c2ccc3c(c2)NC(=O)CO3)SC(=S)N1c1ccc(F)cc1 ZINC000794932777 888948827 /nfs/dbraw/zinc/94/88/27/888948827.db2.gz ZACZCENPVUQRCF-NVNXTCNLSA-N 0 0 386.429 3.562 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2nn(-c3ccccc3)cc2OC)cc1 ZINC000916502440 889075786 /nfs/dbraw/zinc/07/57/86/889075786.db2.gz LEXORKKYOCKBJJ-UHFFFAOYSA-N 0 0 378.476 3.657 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000916588145 889148202 /nfs/dbraw/zinc/14/82/02/889148202.db2.gz WXOYHRCDXLRIIA-UHFFFAOYSA-N 0 0 398.938 3.972 20 10 GHCDRN O=C(CSc1cc(Cl)ccc1Cl)OCC(=O)c1ccc(O)c(O)c1 ZINC000916590097 889151095 /nfs/dbraw/zinc/15/10/95/889151095.db2.gz IIWFILDVVKXWOS-UHFFFAOYSA-N 0 0 387.240 3.923 20 10 GHCDRN O=C(COc1ccccc1-c1ccccc1)OCC(=O)c1ccc(O)c(O)c1 ZINC000916590435 889152610 /nfs/dbraw/zinc/15/26/10/889152610.db2.gz AGJNKXLQKDHPCJ-UHFFFAOYSA-N 0 0 378.380 3.570 20 10 GHCDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)Cc1ccc(N(C)C)cc1 ZINC001184624971 913323163 /nfs/dbraw/zinc/32/31/63/913323163.db2.gz KUOFIXVUJZKLHC-UHFFFAOYSA-N 0 0 377.828 3.737 20 10 GHCDRN COc1cc(CNC(=O)N[C@H](C)c2ccccc2O)ccc1OCC(F)(F)F ZINC000868062914 889278846 /nfs/dbraw/zinc/27/88/46/889278846.db2.gz PKXBVGOSZBHVRH-GFCCVEGCSA-N 0 0 398.381 3.902 20 10 GHCDRN CC(=O)Nc1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1C ZINC000916677212 889304997 /nfs/dbraw/zinc/30/49/97/889304997.db2.gz HJRVWOXFUVEVNY-SFHVURJKSA-N 0 0 397.475 3.872 20 10 GHCDRN COc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc(C)cc3C)CC2)cc1F ZINC000122023911 889310969 /nfs/dbraw/zinc/31/09/69/889310969.db2.gz QPGBABTZRFOYQU-KRWDZBQOSA-N 0 0 385.483 3.600 20 10 GHCDRN C[C@@H](NC(=O)NCc1nccn1CCCc1ccccc1)c1ccccc1O ZINC000868349359 889410258 /nfs/dbraw/zinc/41/02/58/889410258.db2.gz LRQMUAZPOXNDCE-QGZVFWFLSA-N 0 0 378.476 3.782 20 10 GHCDRN C[C@@H](NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1ccccc1O ZINC000868547733 889494753 /nfs/dbraw/zinc/49/47/53/889494753.db2.gz IEZUVVDWIHIZOP-ZNMIVQPWSA-N 0 0 377.485 3.540 20 10 GHCDRN COCc1ccc(S(=O)(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000774767726 913355592 /nfs/dbraw/zinc/35/55/92/913355592.db2.gz QYMKXSFUCCGEDW-UHFFFAOYSA-N 0 0 388.533 3.548 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N3CCC[C@@H]3c3cncc(C)c3)C2)cc1 ZINC000868720254 889569155 /nfs/dbraw/zinc/56/91/55/889569155.db2.gz JESDYNKCLXDSCM-PGRDOPGGSA-N 0 0 394.519 3.772 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)C3CCN(CC(F)F)CC3)cc2)CC1 ZINC000287503783 913378562 /nfs/dbraw/zinc/37/85/62/913378562.db2.gz HSAWMLSMLSYCGI-UHFFFAOYSA-N 0 0 379.495 3.516 20 10 GHCDRN Cc1cc(C(=O)N[C@H](C)CCCO)c(C)n1-c1ccccc1Br ZINC000122453869 889805130 /nfs/dbraw/zinc/80/51/30/889805130.db2.gz PUTXXFHFDPAFQM-GFCCVEGCSA-N 0 0 379.298 3.747 20 10 GHCDRN CC(C)OCc1cc(NS(=O)(=O)c2ccc(C(=O)C(C)C)cc2)ccc1O ZINC000811703389 889876718 /nfs/dbraw/zinc/87/67/18/889876718.db2.gz PNUIFLSVVYNMCN-UHFFFAOYSA-N 0 0 391.489 3.957 20 10 GHCDRN CCOC(=O)c1cc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)ncc1Cl ZINC000795077737 889932802 /nfs/dbraw/zinc/93/28/02/889932802.db2.gz DCRRKRBTAMKBRO-AWEZNQCLSA-N 0 0 389.883 3.921 20 10 GHCDRN CC[C@@H](CSC)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000774784280 913403163 /nfs/dbraw/zinc/40/31/63/913403163.db2.gz KWSVXTCZRXBLDG-UONOGXRCSA-N 0 0 387.496 3.698 20 10 GHCDRN O=S(=O)(Nc1ccc(O)c(F)c1F)c1ccc(Br)cc1Cl ZINC001184804709 913416846 /nfs/dbraw/zinc/41/68/46/913416846.db2.gz ZAMLJVZIVWWVQC-UHFFFAOYSA-N 0 0 398.612 3.887 20 10 GHCDRN CN(C)c1ccc(CNS(=O)(=O)c2ccc3c(c2)c2ccccc2n3C)cc1 ZINC000916732476 890145444 /nfs/dbraw/zinc/14/54/44/890145444.db2.gz LZJFINXEBXSBCP-UHFFFAOYSA-N 0 0 393.512 3.876 20 10 GHCDRN Cc1cc2nc(C)cc(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)n2n1 ZINC000916745611 890165166 /nfs/dbraw/zinc/16/51/66/890165166.db2.gz YDUGAWFKDGJLCW-UHFFFAOYSA-N 0 0 377.492 3.609 20 10 GHCDRN COCC1(CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)CCCCC1 ZINC000811970854 890180459 /nfs/dbraw/zinc/18/04/59/890180459.db2.gz PYKXCYQNKWSIRH-UHFFFAOYSA-N 0 0 389.540 3.560 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CC(C)(C)[C@H]3C3CC3)cc2F)C[C@H](C)O1 ZINC000812008606 890196482 /nfs/dbraw/zinc/19/64/82/890196482.db2.gz CGGTWMRSGAEVFB-QEEYODRMSA-N 0 0 389.515 3.769 20 10 GHCDRN CCC[C@@]1(CO)CCN(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)C1 ZINC000811995505 890215674 /nfs/dbraw/zinc/21/56/74/890215674.db2.gz QTKPTKCNOSBYKZ-HSZRJFAPSA-N 0 0 383.536 3.831 20 10 GHCDRN COC(=O)c1ccc(OC)cc1OC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000916857745 890295710 /nfs/dbraw/zinc/29/57/10/890295710.db2.gz PZMHBRSRROZEAX-UHFFFAOYSA-N 0 0 380.400 3.504 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)NC[C@@](C)(O)c3cccs3)cc2)CC1 ZINC000154223110 890415887 /nfs/dbraw/zinc/41/58/87/890415887.db2.gz USBHWQNHFAUKRH-OAQYLSRUSA-N 0 0 387.549 3.691 20 10 GHCDRN COc1cccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)c1O ZINC000105649594 890456380 /nfs/dbraw/zinc/45/63/80/890456380.db2.gz LPLUTGSVXRKDFZ-LSDHHAIUSA-N 0 0 381.350 3.719 20 10 GHCDRN Cc1ccccc1Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCCO1 ZINC000812253260 890460575 /nfs/dbraw/zinc/46/05/75/890460575.db2.gz NIIDYUAJTFDGLY-FQEVSTJZSA-N 0 0 392.503 3.698 20 10 GHCDRN Cc1cccnc1-c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCCCO1 ZINC000812440628 890631897 /nfs/dbraw/zinc/63/18/97/890631897.db2.gz NJQJZAGBWZSTQN-GOSISDBHSA-N 0 0 393.491 3.560 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc(-c2ccccc2)n1C[C@H]1CCCCO1 ZINC000812443863 890636323 /nfs/dbraw/zinc/63/63/23/890636323.db2.gz ZGYVLWAABADVLN-LJQANCHMSA-N 0 0 378.476 3.856 20 10 GHCDRN O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1ccc(C(F)(F)F)s1 ZINC000812492403 890675588 /nfs/dbraw/zinc/67/55/88/890675588.db2.gz FPDJOIGSZVFCKU-UHFFFAOYSA-N 0 0 390.452 3.846 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000871203614 890694012 /nfs/dbraw/zinc/69/40/12/890694012.db2.gz OIAUQGNMJFJNTC-GOSISDBHSA-N 0 0 382.460 3.891 20 10 GHCDRN COC(=O)/C=C\c1ccc(N2CCn3c(cc4ccccc43)C2)c([N+](=O)[O-])c1 ZINC000812487325 890703513 /nfs/dbraw/zinc/70/35/13/890703513.db2.gz KEEMAMJBNDFINJ-CLFYSBASSA-N 0 0 377.400 3.756 20 10 GHCDRN COC(=O)c1sc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)nc1C1CC1 ZINC000154245811 890724792 /nfs/dbraw/zinc/72/47/92/890724792.db2.gz KFXXBYXAGZUMAV-UHFFFAOYSA-N 0 0 396.428 3.623 20 10 GHCDRN CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000812646318 890840023 /nfs/dbraw/zinc/84/00/23/890840023.db2.gz JSSMWWDPQRQMKH-GOSISDBHSA-N 0 0 378.808 3.581 20 10 GHCDRN [O-]c1c(Br)cccc1C[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000812772341 890947459 /nfs/dbraw/zinc/94/74/59/890947459.db2.gz KYIRZACTHOZKIN-ZDUSSCGKSA-N 0 0 379.273 3.910 20 10 GHCDRN COc1cc(Br)cc(CNc2ccc3c(C)nn(C)c3c2)c1O ZINC000812773857 890953349 /nfs/dbraw/zinc/95/33/49/890953349.db2.gz WJLFEQZWTKCLSA-UHFFFAOYSA-N 0 0 376.254 3.971 20 10 GHCDRN CC[N@@H+](Cc1cc(Br)cc(Br)c1[O-])C[C@@H](C)OC ZINC000812809297 891001663 /nfs/dbraw/zinc/00/16/63/891001663.db2.gz UUEHZVGUFOXTPE-SECBINFHSA-N 0 0 381.108 3.774 20 10 GHCDRN Cc1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1F ZINC000123844567 891074760 /nfs/dbraw/zinc/07/47/60/891074760.db2.gz RRNGASNOPMREIG-UHFFFAOYSA-N 0 0 396.384 3.920 20 10 GHCDRN O=C(COc1cc(F)cc(F)c1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000813043307 891257844 /nfs/dbraw/zinc/25/78/44/891257844.db2.gz DIZSTBNZGJOVGY-UHFFFAOYSA-N 0 0 380.354 3.692 20 10 GHCDRN C[C@@H](NC(=O)N1CCC[C@@](CO)(Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000813142175 891297204 /nfs/dbraw/zinc/29/72/04/891297204.db2.gz FADSURGEHAJPRT-NTKDMRAZSA-N 0 0 395.547 3.840 20 10 GHCDRN Cn1ncc2ccc(CNC(=O)N(Cc3ccco3)Cc3ccccc3O)cc21 ZINC000813169997 891326803 /nfs/dbraw/zinc/32/68/03/891326803.db2.gz BBGOLDNVXRPISS-UHFFFAOYSA-N 0 0 390.443 3.784 20 10 GHCDRN CC[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1)c1cccc(Cl)c1[O-] ZINC000287811243 913548028 /nfs/dbraw/zinc/54/80/28/913548028.db2.gz USKSSELXUUCKHE-YVEFUNNKSA-N 0 0 382.913 3.756 20 10 GHCDRN C=Cc1ccc(CCNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000813201604 891361396 /nfs/dbraw/zinc/36/13/96/891361396.db2.gz RBUMEVZJEQRFGR-OAQYLSRUSA-N 0 0 380.488 3.969 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1cc(Br)cc(F)c1[O-] ZINC000248482853 891439710 /nfs/dbraw/zinc/43/97/10/891439710.db2.gz CGCIUTLVUOVNNM-PKWAYOAASA-N 0 0 390.318 3.999 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)NCc2nc(-c3ccncc3)cs2)cc1 ZINC000873188924 891513712 /nfs/dbraw/zinc/51/37/12/891513712.db2.gz LQMPAAAHRPUELG-UHFFFAOYSA-N 0 0 381.505 3.613 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2)c1 ZINC000873237082 891540157 /nfs/dbraw/zinc/54/01/57/891540157.db2.gz MCWATBZAZIUXMT-WDEREUQCSA-N 0 0 383.370 3.936 20 10 GHCDRN C[C@@H](NC(=O)N(C)[C@H](C)c1cccc(O)c1)c1ccc(N2CCOCC2)cc1 ZINC000067634883 891571749 /nfs/dbraw/zinc/57/17/49/891571749.db2.gz HDVASNSTFDJYAV-IAGOWNOFSA-N 0 0 383.492 3.692 20 10 GHCDRN Cc1cc(C(=O)COC(=O)C=Cc2cnn(C)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000917239216 891637742 /nfs/dbraw/zinc/63/77/42/891637742.db2.gz RZEVWAWWANODRM-SREVYHEPSA-N 0 0 391.471 3.884 20 10 GHCDRN Cc1cc(C(=O)Cn2cnc(C(F)F)cc2=O)c(C)n1-c1ccc(C)c(F)c1 ZINC000813580785 891762877 /nfs/dbraw/zinc/76/28/77/891762877.db2.gz UBORYFZWZXAVHG-UHFFFAOYSA-N 0 0 389.377 3.919 20 10 GHCDRN CCC(F)(F)c1ccccc1NC(=O)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000873706842 891770206 /nfs/dbraw/zinc/77/02/06/891770206.db2.gz XOTJKUWTMAWIGN-LBPRGKRZSA-N 0 0 392.402 3.719 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cccc(-c2cn(C)nn2)c1 ZINC000825691729 891785017 /nfs/dbraw/zinc/78/50/17/891785017.db2.gz AEYBCECELSIUMC-UHFFFAOYSA-N 0 0 392.507 3.991 20 10 GHCDRN O=C(NCC1CC(F)(F)C1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000813621626 891790328 /nfs/dbraw/zinc/79/03/28/891790328.db2.gz CFQPTZQEICULSK-UHFFFAOYSA-N 0 0 389.393 3.601 20 10 GHCDRN Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cncc(C(F)F)c2)cc1 ZINC000873822042 891828321 /nfs/dbraw/zinc/82/83/21/891828321.db2.gz XUPNKFGLVMCSMF-UHFFFAOYSA-N 0 0 388.418 3.763 20 10 GHCDRN COc1cc(C(=O)NCCc2ccc(O)c(O)c2)cc(Cl)c1OCC(C)C ZINC000917355837 891850811 /nfs/dbraw/zinc/85/08/11/891850811.db2.gz JOWHDDUWSPSNNN-UHFFFAOYSA-N 0 0 393.867 3.767 20 10 GHCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000873997467 891921244 /nfs/dbraw/zinc/92/12/44/891921244.db2.gz SNGLWQDILFTRQG-UVPINQTDSA-N 0 0 390.443 3.580 20 10 GHCDRN Cc1cc(Cn2c(C)nnc2N(C)Cc2ccc(N3CCCCC3)cc2)no1 ZINC000874015713 891931926 /nfs/dbraw/zinc/93/19/26/891931926.db2.gz HYPVTBCLXDCAOC-UHFFFAOYSA-N 0 0 380.496 3.558 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1cccc(-c2cn(C)nn2)c1 ZINC000825710140 891942134 /nfs/dbraw/zinc/94/21/34/891942134.db2.gz GZSICYTUQGQDFF-MRXNPFEDSA-N 0 0 392.507 3.609 20 10 GHCDRN Cc1cc(Cn2c(-c3cc(C)oc3C)nnc2N(C)Cc2ccccc2O)no1 ZINC000874035588 891958431 /nfs/dbraw/zinc/95/84/31/891958431.db2.gz ZCGBXYZXPVREBC-UHFFFAOYSA-N 0 0 393.447 3.842 20 10 GHCDRN C[C@@H](Oc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccccc1O)C(F)(F)F ZINC000874191316 892027804 /nfs/dbraw/zinc/02/78/04/892027804.db2.gz DSIZLXMIUJIEHT-NWDGAFQWSA-N 0 0 396.365 3.538 20 10 GHCDRN Cc1ncc(C(F)(F)F)cc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000874195085 892030248 /nfs/dbraw/zinc/03/02/48/892030248.db2.gz CQFTWZBXXYJWPP-CYBMUJFWSA-N 0 0 393.409 3.736 20 10 GHCDRN Cc1cc(S(=O)(=O)NCc2cc(Br)ccc2O)sc1Cl ZINC000796190926 913626448 /nfs/dbraw/zinc/62/64/48/913626448.db2.gz GUSRVYAYGJIQNR-UHFFFAOYSA-N 0 0 396.715 3.657 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccnc(-n2cccn2)c1 ZINC000917513963 892118207 /nfs/dbraw/zinc/11/82/07/892118207.db2.gz AOXNLVGOWFMZPK-UHFFFAOYSA-N 0 0 377.473 3.666 20 10 GHCDRN Cc1cc(C(=O)N2C[C@@H](C(F)(F)F)OC(C)(C)C2)c(C)n1-c1ccccn1 ZINC000814146910 892305491 /nfs/dbraw/zinc/30/54/91/892305491.db2.gz JZQOXTQYKZEMAX-HNNXBMFYSA-N 0 0 381.398 3.671 20 10 GHCDRN Cc1cc(CC(=O)O[C@@H](C)CCS(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000774823630 913650226 /nfs/dbraw/zinc/65/02/26/913650226.db2.gz KAQXSKIFSHQPPF-AWEZNQCLSA-N 0 0 397.924 3.656 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000917642949 892333220 /nfs/dbraw/zinc/33/32/20/892333220.db2.gz RKIOJMXXINHWQP-UHFFFAOYSA-N 0 0 383.448 3.621 20 10 GHCDRN COCCc1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1 ZINC000917659070 892359314 /nfs/dbraw/zinc/35/93/14/892359314.db2.gz NGPILLBNUKIXPM-UHFFFAOYSA-N 0 0 390.549 3.541 20 10 GHCDRN O=C1/C(=C/c2cc([N+](=O)[O-])ccc2OC(F)F)SC(=S)N1C1CCC1 ZINC000814185761 892381784 /nfs/dbraw/zinc/38/17/84/892381784.db2.gz PRDDNWNIBNYODX-GHXNOFRVSA-N 0 0 386.401 3.950 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC000814259393 892440550 /nfs/dbraw/zinc/44/05/50/892440550.db2.gz MGNMSBFMCABJEH-UHFFFAOYSA-N 0 0 397.906 3.859 20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)Cc3ccc(Cl)cc3)cc2F)C[C@H](C)O1 ZINC000917711255 892442179 /nfs/dbraw/zinc/44/21/79/892442179.db2.gz MSZYARHTAKAZFB-GJZGRUSLSA-N 0 0 390.886 3.952 20 10 GHCDRN COC(=O)CCCN1C(=O)/C(=C\c2cc3cccc(OC)c3o2)SC1=S ZINC000814269571 892474032 /nfs/dbraw/zinc/47/40/32/892474032.db2.gz WRSPGJOYZCVWNG-GXDHUFHOSA-N 0 0 391.470 3.596 20 10 GHCDRN COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc2c1OCO2 ZINC000814272868 892475554 /nfs/dbraw/zinc/47/55/54/892475554.db2.gz ZSGJPVXEJIYKPC-OQLLNIDSSA-N 0 0 377.487 3.958 20 10 GHCDRN O=C1/C(=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)SC(=S)N1C1CC1 ZINC000814285031 892491173 /nfs/dbraw/zinc/49/11/73/892491173.db2.gz MOXSNUVUUGTNCH-LFIBNONCSA-N 0 0 389.502 3.949 20 10 GHCDRN COc1ccc2ccc(C(=O)N3CCN(c4ccc(OC)c(F)c4)CC3)cc2c1 ZINC000814317284 892515458 /nfs/dbraw/zinc/51/54/58/892515458.db2.gz QKBWWTRKQCACSL-UHFFFAOYSA-N 0 0 394.446 3.959 20 10 GHCDRN CC[C@H]1Oc2cc([C@@H](C)NC(=O)N[C@@H](C)c3ccccc3O)ccc2NC1=O ZINC000875331955 892552414 /nfs/dbraw/zinc/55/24/14/892552414.db2.gz NLUNTSQFFRNLGX-FHSNZYRGSA-N 0 0 383.448 3.623 20 10 GHCDRN C[C@H](NC(=O)NCCc1cccc(C(F)(F)F)n1)c1ccc(N(C)C)cc1 ZINC000814382258 892617600 /nfs/dbraw/zinc/61/76/00/892617600.db2.gz LHOJHICLVQPYAX-ZDUSSCGKSA-N 0 0 380.414 3.769 20 10 GHCDRN COc1ccncc1CNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000814418154 892699313 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CN=[S@@](C)(=O)c1cccc(NC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000879843875 895349697 /nfs/dbraw/zinc/34/96/97/895349697.db2.gz QDDBSBIWEYXEFK-MHZLTWQESA-N 0 0 386.521 3.695 20 10 GHCDRN CNc1ccc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)cc1[N+](=O)[O-] ZINC001170859388 895465381 /nfs/dbraw/zinc/46/53/81/895465381.db2.gz UEFSRSWZBLQZLI-UHFFFAOYSA-N 0 0 378.432 3.974 20 10 GHCDRN Cc1c(Cl)c(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nn1C ZINC000817409061 895587452 /nfs/dbraw/zinc/58/74/52/895587452.db2.gz XQLRWUXYVKYHCN-ZDUSSCGKSA-N 0 0 384.858 3.742 20 10 GHCDRN CN1CCCc2cc(CNC(=O)Nc3ccn(C4CCSCC4)n3)ccc21 ZINC000880350961 895652318 /nfs/dbraw/zinc/65/23/18/895652318.db2.gz LSLHRQRYRQZNIU-UHFFFAOYSA-N 0 0 385.537 3.655 20 10 GHCDRN COC(=O)c1ccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000880590053 895760569 /nfs/dbraw/zinc/76/05/69/895760569.db2.gz FPRQQSSOEBKYKH-UHFFFAOYSA-N 0 0 382.464 3.522 20 10 GHCDRN Cc1c(C)n(C)c2ccc(OC(=O)c3c(Br)nc4n3CCC4)cc12 ZINC000817762944 895894142 /nfs/dbraw/zinc/89/41/42/895894142.db2.gz 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Cc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2C)c(C)n1-c1ccccn1 ZINC000298322416 920396896 /nfs/dbraw/zinc/39/68/96/920396896.db2.gz LQBZSTYUBSDSFO-UHFFFAOYSA-N 0 0 390.487 3.886 20 10 GHCDRN O=C(c1ccccc1Cl)C1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000900836279 920646028 /nfs/dbraw/zinc/64/60/28/920646028.db2.gz SDJHDVMZVRUOGQ-UHFFFAOYSA-N 0 0 377.799 3.625 20 10 GHCDRN COc1ccc(N2CCN(C(=O)CCC(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000008028904 921010658 /nfs/dbraw/zinc/01/06/58/921010658.db2.gz XTBVLEJICQLCEU-UHFFFAOYSA-N 0 0 386.879 3.660 20 10 GHCDRN Cc1nn(C)c(C)c1-c1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)[nH]n1 ZINC000298935391 921067580 /nfs/dbraw/zinc/06/75/80/921067580.db2.gz FCDNPEVCLCQTDO-UHFFFAOYSA-N 0 0 394.523 3.544 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000366963283 921844048 /nfs/dbraw/zinc/84/40/48/921844048.db2.gz TWMBYSFIXICOOZ-LJQANCHMSA-N 0 0 381.476 3.812 20 10 GHCDRN COc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)cn1 ZINC000008485862 921879286 /nfs/dbraw/zinc/87/92/86/921879286.db2.gz FBHAWPOAKNNDGQ-UHFFFAOYSA-N 0 0 382.391 3.677 20 10 GHCDRN Fc1cc(CNc2c(Br)cnn2C2CC2)ccc1N1CCOCC1 ZINC000902270542 922044800 /nfs/dbraw/zinc/04/48/00/922044800.db2.gz OEBUBYLPJBPJLX-UHFFFAOYSA-N 0 0 395.276 3.568 20 10 GHCDRN CC(=O)N1Cc2ccc(N[C@@H](C)c3ccc(N4CCOCC4)c(F)c3)cc2C1 ZINC000367610773 922228646 /nfs/dbraw/zinc/22/86/46/922228646.db2.gz VURIFPVNLFHOKN-HNNXBMFYSA-N 0 0 383.467 3.698 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OCCC)cc1 ZINC000802609992 922254247 /nfs/dbraw/zinc/25/42/47/922254247.db2.gz PMUNFKUICVZXTI-UHFFFAOYSA-N 0 0 384.476 3.948 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)n([C@@H](C)CC)n1 ZINC000802609969 922255986 /nfs/dbraw/zinc/25/59/86/922255986.db2.gz NZNZGBZKMHATKF-HNNXBMFYSA-N 0 0 386.496 3.636 20 10 GHCDRN CNC(=O)c1cc(Oc2cccc(NCc3cc(OC)ccc3O)c2)ccn1 ZINC000367779517 922309320 /nfs/dbraw/zinc/30/93/20/922309320.db2.gz NWIBBHSMVDVPQG-UHFFFAOYSA-N 0 0 379.416 3.560 20 10 GHCDRN Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000368318131 922593784 /nfs/dbraw/zinc/59/37/84/922593784.db2.gz PZPWLPPCRXZUMD-QGZVFWFLSA-N 0 0 385.533 3.876 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)cc1 ZINC000803130146 922718319 /nfs/dbraw/zinc/71/83/19/922718319.db2.gz LWKAMWZAQDYRIS-VXKWHMMOSA-N 0 0 393.531 3.554 20 10 GHCDRN COC(=O)C(C)(C)C(=O)COC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC000803252575 922825886 /nfs/dbraw/zinc/82/58/86/922825886.db2.gz UPLZVNXOPJVTAD-UHFFFAOYSA-N 0 0 384.388 3.733 20 10 GHCDRN CC[C@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1ccc(Cl)c(Cl)c1[O-] ZINC000903372366 922969347 /nfs/dbraw/zinc/96/93/47/922969347.db2.gz KTNRLOHOMYGAGP-AWEZNQCLSA-N 0 0 390.307 3.788 20 10 GHCDRN Cc1ccccc1[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)C(C)(C)C ZINC000803661678 923131015 /nfs/dbraw/zinc/13/10/15/923131015.db2.gz JMZXXAUYAUEIKU-HXUWFJFHSA-N 0 0 399.510 3.720 20 10 GHCDRN CCOCCOc1ccccc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000748172273 923482859 /nfs/dbraw/zinc/48/28/59/923482859.db2.gz BFQQUZQZVHLHNI-UHFFFAOYSA-N 0 0 382.504 3.973 20 10 GHCDRN O=C(NCc1ccccc1O)[C@@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000748345517 923585425 /nfs/dbraw/zinc/58/54/25/923585425.db2.gz CVOKKZRWVRKGIH-LJQANCHMSA-N 0 0 398.462 3.633 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)CNC(=O)c2cc(C)cc(C)c2)cc1 ZINC000009932539 923622959 /nfs/dbraw/zinc/62/29/59/923622959.db2.gz RRGXPLRJMKANRN-UHFFFAOYSA-N 0 0 381.520 3.538 20 10 GHCDRN COc1ccc([C@@H](C)NC(=O)NCc2ccccc2O)cc1Br ZINC000748459788 923669638 /nfs/dbraw/zinc/66/96/38/923669638.db2.gz JPDNYLJZROOLNW-LLVKDONJSA-N 0 0 379.254 3.724 20 10 GHCDRN Cc1c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cnc2ccccc12 ZINC000748701799 923799954 /nfs/dbraw/zinc/79/99/54/923799954.db2.gz AKWFIQNIUSWGJK-KRWDZBQOSA-N 0 0 375.472 3.871 20 10 GHCDRN COCCOc1ccc(N2CCN(Cc3cc(OC)ccc3Cl)CC2)cc1 ZINC001137265529 924108570 /nfs/dbraw/zinc/10/85/70/924108570.db2.gz KDYVWDMTKKRZHY-UHFFFAOYSA-N 0 0 390.911 3.696 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)c3cn(C)nc3-c3ccco3)cc2)CC1 ZINC000826862143 924300822 /nfs/dbraw/zinc/30/08/22/924300822.db2.gz VWBJDBODABUXSE-UHFFFAOYSA-N 0 0 378.476 3.846 20 10 GHCDRN Nc1ccc(Cc2nc(C(=O)NC[C@H]3CCN(c4ccccc4)C3)cs2)cc1 ZINC000826934888 924393406 /nfs/dbraw/zinc/39/34/06/924393406.db2.gz RGTQUBHOFXTDCI-QGZVFWFLSA-N 0 0 392.528 3.572 20 10 GHCDRN COc1cc2ccccc2cc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000010907090 924456581 /nfs/dbraw/zinc/45/65/81/924456581.db2.gz YJBQXJRORCOXFI-UHFFFAOYSA-N 0 0 390.483 3.957 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H](CO)c3ccc(F)cc3)ccc21 ZINC000678394575 924752753 /nfs/dbraw/zinc/75/27/53/924752753.db2.gz XXEBOAQCZDWMGD-HXUWFJFHSA-N 0 0 384.451 3.507 20 10 GHCDRN O=S(=O)(CCCC1CCOCC1)N(Cc1ccccc1O)C1CCCC1 ZINC000827194800 924995157 /nfs/dbraw/zinc/99/51/57/924995157.db2.gz QSTXGPDBRKGHSC-UHFFFAOYSA-N 0 0 381.538 3.673 20 10 GHCDRN C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000827222088 925043551 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FC(F)Oc1ccc(N2CCC(NC(=S)NCc3cccs3)CC2)cc1 ZINC000726494614 926707329 /nfs/dbraw/zinc/70/73/29/926707329.db2.gz YOAOETLENDEFJY-UHFFFAOYSA-N 0 0 397.516 3.983 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3cn(-c4ccccc4)nc3C)CC2)cc1 ZINC000726504553 926714199 /nfs/dbraw/zinc/71/41/99/926714199.db2.gz UFIADJSJVVOKEQ-UHFFFAOYSA-N 0 0 390.487 3.542 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3cnc4onc(C(C)C)c4c3)CC2)cc1 ZINC000726561225 926738550 /nfs/dbraw/zinc/73/85/50/926738550.db2.gz GCSJIPABODMIMY-UHFFFAOYSA-N 0 0 394.475 3.754 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3c(C)nn(C(C)(C)C)c3C)CC2)cc1 ZINC000726561849 926739464 /nfs/dbraw/zinc/73/94/64/926739464.db2.gz VSLBZWSLFXINOH-UHFFFAOYSA-N 0 0 384.524 3.662 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)C(C)(C)c3ccccc3OC)CC2)cc1 ZINC000726561662 926739690 /nfs/dbraw/zinc/73/96/90/926739690.db2.gz JIXTVAGBYUZBAJ-UHFFFAOYSA-N 0 0 382.504 3.767 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)CCOc3cccc(Cl)c3)CC2)cc1 ZINC000726563082 926740807 /nfs/dbraw/zinc/74/08/07/926740807.db2.gz DJNIAACXYOXXTO-UHFFFAOYSA-N 0 0 388.895 3.903 20 10 GHCDRN CCN(Cc1ccoc1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000726610032 926764067 /nfs/dbraw/zinc/76/40/67/926764067.db2.gz AVJJZZLMNIBPKT-HZPDHXFCSA-N 0 0 389.471 3.764 20 10 GHCDRN COc1ccc(/C=C2/SC(=S)N(c3ccc(OC)c(F)c3)C2=O)cc1O ZINC000726630427 926772029 /nfs/dbraw/zinc/77/20/29/926772029.db2.gz VTIXZWORCHDJFG-LZYBPNLTSA-N 0 0 391.445 3.954 20 10 GHCDRN COc1ccc(N2C(=O)/C(=C\c3cccc4c3OCO4)SC2=S)cc1F ZINC000726630817 926773629 /nfs/dbraw/zinc/77/36/29/926773629.db2.gz XQNDHNFBFSLVRN-VIZOYTHASA-N 0 0 389.429 3.969 20 10 GHCDRN CCOc1ccc(CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000726708508 926816612 /nfs/dbraw/zinc/81/66/12/926816612.db2.gz MUVIVLPTHSFHLJ-UHFFFAOYSA-N 0 0 383.492 3.562 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000726718796 926819948 /nfs/dbraw/zinc/81/99/48/926819948.db2.gz PRKIEPKFOLHYIX-CVEARBPZSA-N 0 0 375.266 3.852 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N3CCc4cc(F)c(F)cc43)CC2)cc1 ZINC000726715731 926819960 /nfs/dbraw/zinc/81/99/60/926819960.db2.gz YXYGMILPPKGZKS-UHFFFAOYSA-N 0 0 387.430 3.715 20 10 GHCDRN O=C1/C(=C/c2ccccc2-n2cncn2)SC(=S)N1c1ccc(F)cc1 ZINC000726741504 926826229 /nfs/dbraw/zinc/82/62/29/926826229.db2.gz GNKLUCGRPMLIRZ-SXGWCWSVSA-N 0 0 382.445 3.812 20 10 GHCDRN CC(=O)NC(C)(C)C(=O)OCC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C ZINC000726837156 926883836 /nfs/dbraw/zinc/88/38/36/926883836.db2.gz WMCHWZPBTLZFMF-UHFFFAOYSA-N 0 0 398.503 3.858 20 10 GHCDRN Cc1cc(C(=O)N(C)CC(C)(C)O)c(C)n1-c1ccc(Br)cc1 ZINC000749189100 926991481 /nfs/dbraw/zinc/99/14/81/926991481.db2.gz NOIQKIQXSUTODB-UHFFFAOYSA-N 0 0 379.298 3.700 20 10 GHCDRN Cc1cc(C(=O)NCCc2nnc3ccccn32)c(C)n1-c1cc(C)cc(C)c1 ZINC000749334331 927057318 /nfs/dbraw/zinc/05/73/18/927057318.db2.gz AYAFMUODSXDUNB-UHFFFAOYSA-N 0 0 387.487 3.726 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)NCCCc2nc3ccccc3[nH]2)C2CC2)cc1 ZINC000749347627 927065775 /nfs/dbraw/zinc/06/57/75/927065775.db2.gz SXCUIMQBZCBFJD-UHFFFAOYSA-N 0 0 391.519 3.936 20 10 GHCDRN Cc1cc(C(=O)NCCS(=O)(=O)C(C)(C)C)c(C)n1-c1cc(C)cc(C)c1 ZINC000749390704 927085671 /nfs/dbraw/zinc/08/56/71/927085671.db2.gz XIWJUNWDIOQLLC-UHFFFAOYSA-N 0 0 390.549 3.654 20 10 GHCDRN COC(=O)[C@@H](NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C)c1ccccn1 ZINC000749402484 927089138 /nfs/dbraw/zinc/08/91/38/927089138.db2.gz OFEUEBWSSKQILY-NRFANRHFSA-N 0 0 391.471 3.750 20 10 GHCDRN CC[C@H](NC(=O)NCc1ccc(N(CC)CC)cc1)c1nnc2n1CCCCC2 ZINC000749555603 927187175 /nfs/dbraw/zinc/18/71/75/927187175.db2.gz QYXWEPIRXSGUMV-IBGZPJMESA-N 0 0 398.555 3.801 20 10 GHCDRN Cc1cc(CN2CCN(C(=O)c3cc(C)ccc3-n3c(C)ccc3C)CC2)no1 ZINC000749562359 927188423 /nfs/dbraw/zinc/18/84/23/927188423.db2.gz DISRZWUEEBQBCO-UHFFFAOYSA-N 0 0 392.503 3.657 20 10 GHCDRN CCCNC(=O)C1CCN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)CC1 ZINC000749565590 927190609 /nfs/dbraw/zinc/19/06/09/927190609.db2.gz UDWOYRFZQQPPQD-UHFFFAOYSA-N 0 0 381.520 3.781 20 10 GHCDRN CC[C@@H](C)Oc1cccc(NC(=O)C(=O)NCCCSc2nccs2)c1 ZINC000749731308 927254793 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CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000751077283 928017690 /nfs/dbraw/zinc/01/76/90/928017690.db2.gz MKCJUSSODBCUTM-MJGOQNOKSA-N 0 0 385.552 3.528 20 10 GHCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccc(-n2cccn2)cc1 ZINC000751299595 928116520 /nfs/dbraw/zinc/11/65/20/928116520.db2.gz NSFWSNWAKLPLTD-UHFFFAOYSA-N 0 0 380.411 3.834 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC000751323842 928134756 /nfs/dbraw/zinc/13/47/56/928134756.db2.gz DCDQYMKMRGNVAI-GFCCVEGCSA-N 0 0 390.486 3.564 20 10 GHCDRN Cc1cc(CC(=O)N2CCCC[C@H]2CC(N)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000751395098 928169842 /nfs/dbraw/zinc/16/98/42/928169842.db2.gz FIFZUFGUFGCDEU-IBGZPJMESA-N 0 0 387.911 3.547 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1ccccc1F ZINC000751465286 928204129 /nfs/dbraw/zinc/20/41/29/928204129.db2.gz GFRZZRZQZUHVOS-UHFFFAOYSA-N 0 0 388.258 3.505 20 10 GHCDRN CC(C)[C@@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1cccnc1 ZINC000751608333 928274242 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GHCDRN Cc1ccc(-c2nc(C(=O)NCCCSc3nccs3)cs2)n1C ZINC000759089284 930269741 /nfs/dbraw/zinc/26/97/41/930269741.db2.gz JFXCQVSEWPPNEP-UHFFFAOYSA-N 0 0 378.548 3.826 20 10 GHCDRN CCO[C@@H]1C[C@@H](NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)[C@]12CCCO2 ZINC000759206027 930309109 /nfs/dbraw/zinc/30/91/09/930309109.db2.gz RNAKUUZXLJAGMC-MQSCRBSSSA-N 0 0 398.503 3.559 20 10 GHCDRN CCCCC[C@H](C)CC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000759220887 930313132 /nfs/dbraw/zinc/31/31/32/930313132.db2.gz MKDROIPZHRSXIM-KRWDZBQOSA-N 0 0 392.540 3.968 20 10 GHCDRN CN(C)[C@H](CNC(=O)NCCCSc1nccs1)c1ccccc1Cl ZINC000759538971 930396943 /nfs/dbraw/zinc/39/69/43/930396943.db2.gz PBQDVNINMUTOLE-OAHLLOKOSA-N 0 0 398.985 3.881 20 10 GHCDRN COc1ccc(C(C)(C)CNC(=O)NCCCSc2nccs2)cc1 ZINC000759573274 930408220 /nfs/dbraw/zinc/40/82/20/930408220.db2.gz CYBCYYZRFOKSDM-UHFFFAOYSA-N 0 0 379.551 3.911 20 10 GHCDRN C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)NCCCSc1nccs1 ZINC000759577029 930410483 /nfs/dbraw/zinc/41/04/83/930410483.db2.gz 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GHCDRN CCN1c2ccc(NC(=O)N3Cc4cccc(O)c4C3)cc2OCC(C)(C)C1=O ZINC000932144729 934833588 /nfs/dbraw/zinc/83/35/88/934833588.db2.gz XLYURDFYYIKUPG-UHFFFAOYSA-N 0 0 395.459 3.711 20 10 GHCDRN Cc1cc(-c2nc(C(=O)N(C)Cc3ccc(N4CCCC4)cc3)co2)ccn1 ZINC001124549930 935411953 /nfs/dbraw/zinc/41/19/53/935411953.db2.gz SMWBWFKPFXSJMY-UHFFFAOYSA-N 0 0 376.460 3.917 20 10 GHCDRN CCOc1ccc(Br)c(C(=O)NCc2ccc(N(C)C)cc2)c1F ZINC001124552403 935412488 /nfs/dbraw/zinc/41/24/88/935412488.db2.gz FVCOAGMHHRQKSS-UHFFFAOYSA-N 0 0 395.272 3.983 20 10 GHCDRN O=C(Cc1ccc(C2CCC2)cc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001125256513 935559878 /nfs/dbraw/zinc/55/98/78/935559878.db2.gz JAJUQUFQHGEEFM-UHFFFAOYSA-N 0 0 382.479 3.789 20 10 GHCDRN Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000828614335 935676344 /nfs/dbraw/zinc/67/63/44/935676344.db2.gz OHPKXNHGXPEBGR-JOCHJYFZSA-N 0 0 382.552 3.909 20 10 GHCDRN O=C(C[C@]12CCCC[C@H]1C2(F)F)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000829253018 935785946 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COC(=O)c1cnc(SCC(=O)c2cc(C)n(Cc3ccco3)c2C)s1 ZINC000829692682 935846375 /nfs/dbraw/zinc/84/63/75/935846375.db2.gz RPEHWGNEAGMTRC-UHFFFAOYSA-N 0 0 390.486 3.964 20 10 GHCDRN Cc1cc(CC(=O)NC[C@H](CCO)c2ccccc2)c(C)n1-c1ccccc1 ZINC000829894989 935879016 /nfs/dbraw/zinc/87/90/16/935879016.db2.gz ZZGJLEAMSOYWJV-NRFANRHFSA-N 0 0 376.500 3.919 20 10 GHCDRN COCCOc1ccc(N2CCN(Cc3cccc(Cl)c3F)CC2)cc1 ZINC001137962415 935893873 /nfs/dbraw/zinc/89/38/73/935893873.db2.gz IECBKHVFLGPDFU-UHFFFAOYSA-N 0 0 378.875 3.827 20 10 GHCDRN CC1CCN(c2ccc(CNS(=O)(=O)C[C@@H]3CCCC3(F)F)cc2)CC1 ZINC000830434534 935945072 /nfs/dbraw/zinc/94/50/72/935945072.db2.gz LPJXEYDSQHQNDA-KRWDZBQOSA-N 0 0 386.508 3.778 20 10 GHCDRN O=C(CCSc1ccc(Br)cc1)NCc1ccc(O)cc1O ZINC001626837674 1014639470 /nfs/dbraw/zinc/63/94/70/1014639470.db2.gz CTHXBDUEZYDTJO-UHFFFAOYSA-N 0 0 382.279 3.659 20 10 GHCDRN CCc1ccccc1OCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC001626105266 1014889734 /nfs/dbraw/zinc/88/97/34/1014889734.db2.gz 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CC(C)[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)Nc1ccc2ccccc2c1 ZINC001221351155 1032384295 /nfs/dbraw/zinc/38/42/95/1032384295.db2.gz VEYOMYHMKJAKTC-QFIPXVFZSA-N 0 0 375.472 3.744 20 10 GHCDRN COc1ccc([C@@H](C)Oc2c(O)ccc3c2C(=O)c2ccccc2C3=O)cn1 ZINC001227581398 1032471296 /nfs/dbraw/zinc/47/12/96/1032471296.db2.gz ZYDGAPLEVSPXPU-GFCCVEGCSA-N 0 0 375.380 3.711 20 10 GHCDRN CCOC(=O)[C@@H](CC(C)C)Oc1c(O)ccc2c1C(=O)c1ccccc1C2=O ZINC001227581262 1032471304 /nfs/dbraw/zinc/47/13/04/1032471304.db2.gz YMYCNWIQHLUTLK-QGZVFWFLSA-N 0 0 382.412 3.524 20 10 GHCDRN Cn1cc(/C=C/C(=O)N2C[C@H](CCC(=O)OC(C)(C)C)Cc3ccccc32)cn1 ZINC001155350323 1032513863 /nfs/dbraw/zinc/51/38/63/1032513863.db2.gz BOXDZSKAHMTLTI-QXLXQBSBSA-N 0 0 395.503 3.761 20 10 GHCDRN CCC[C@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001221766041 1032527705 /nfs/dbraw/zinc/52/77/05/1032527705.db2.gz BMRATBYHUNITMA-PKOBYXMFSA-N 0 0 389.540 3.894 20 10 GHCDRN COc1ccc(C(C)(C)CNC(=O)NCc2cccc(Cl)c2O)cc1OC ZINC001221780734 1032532909 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378.321 3.848 20 10 GHCDRN O=C(c1ccccc1)c1ccc(O)c(O)c1O[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001227937881 1032705795 /nfs/dbraw/zinc/70/57/95/1032705795.db2.gz OISCTVRVUWXEAP-KRWDZBQOSA-N 0 0 391.379 3.783 20 10 GHCDRN COc1ccc2[nH]cc(C3=CCN(c4ncnc5c4ncn5C4CC4)CC3)c2c1 ZINC000562385303 1018138751 /nfs/dbraw/zinc/13/87/51/1018138751.db2.gz LCFFJJUGDUAHGT-UHFFFAOYSA-N 0 0 386.459 3.945 20 10 GHCDRN CCC[C@H](CNC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1)C(=O)OCC ZINC001155957602 1032813602 /nfs/dbraw/zinc/81/36/02/1032813602.db2.gz GWQVSCOHMZQCAR-LJQANCHMSA-N 0 0 398.503 3.545 20 10 GHCDRN CC(=O)N1CCN(c2ccc(O[C@@H](c3ccccc3)c3ccccn3)cc2)CC1 ZINC001228199425 1032836885 /nfs/dbraw/zinc/83/68/85/1032836885.db2.gz CMFPKUNMBSLCHA-DEOSSOPVSA-N 0 0 387.483 3.919 20 10 GHCDRN COc1cc(Cl)c(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)cc1C ZINC000572202437 1019754486 /nfs/dbraw/zinc/75/44/86/1019754486.db2.gz PZLNXKUVAGZIOM-UHFFFAOYSA-N 0 0 399.878 3.712 20 10 GHCDRN Cn1c(-c2ccccc2)cnc1SCC(=O)c1ccc2c(c1)CCN2C=O 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JLIOFGFYBAKDON-UHFFFAOYSA-N 0 0 397.519 3.896 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)/C=C/c1ccc(C)nc1 ZINC000834513693 1021236530 /nfs/dbraw/zinc/23/65/30/1021236530.db2.gz ATHXVYCNDCEJLJ-RMKNXTFCSA-N 0 0 395.503 3.792 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cccc2n[nH]cc21 ZINC000834514631 1021238575 /nfs/dbraw/zinc/23/85/75/1021238575.db2.gz SRRWIRJKXGMAFN-UHFFFAOYSA-N 0 0 394.475 3.565 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)/C=C/c1ccncc1C ZINC000834518606 1021241692 /nfs/dbraw/zinc/24/16/92/1021241692.db2.gz QKFBKQGMPLWZGR-QPJJXVBHSA-N 0 0 395.503 3.792 20 10 GHCDRN Cc1cc(CC(=O)N2CCC[C@@H]2C(=O)NC(C)(C)C)c(C)n1-c1ccccc1 ZINC001156296633 1032965507 /nfs/dbraw/zinc/96/55/07/1032965507.db2.gz MOEYYDLHKGRRJC-HXUWFJFHSA-N 0 0 381.520 3.542 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC001626156199 1021292706 /nfs/dbraw/zinc/29/27/06/1021292706.db2.gz OFPQLPWAGMKAEJ-IBGZPJMESA-N 0 0 388.414 3.992 20 10 GHCDRN 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/nfs/dbraw/zinc/60/42/11/1021604211.db2.gz LZJWUODJKUYWJT-ISTVAULSSA-N 0 0 378.694 3.510 20 10 GHCDRN Oc1cc(Cl)ccc1CN1CCO[C@H]2[C@H]1CC[C@H]2COCc1cccnc1 ZINC001140464782 1021756834 /nfs/dbraw/zinc/75/68/34/1021756834.db2.gz BIOMYQCURBFUOF-FBBABVLZSA-N 0 0 388.895 3.637 20 10 GHCDRN Cc1noc(C)c1C[N@@H+]1CCCC12CCN(Cc1c([O-])cc(F)cc1F)CC2 ZINC001140581746 1022002682 /nfs/dbraw/zinc/00/26/82/1022002682.db2.gz YYBGSMREPSLCCO-UHFFFAOYSA-N 0 0 391.462 3.906 20 10 GHCDRN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1c([O-])cc(F)cc1F)C2 ZINC001140582758 1022003411 /nfs/dbraw/zinc/00/34/11/1022003411.db2.gz MCGUEJXOEXEXGK-HXUWFJFHSA-N 0 0 382.451 3.893 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC2(CC[N@H+](Cc3c([O-])cc(F)cc3F)C2)CC1 ZINC001140583205 1022004929 /nfs/dbraw/zinc/00/49/29/1022004929.db2.gz ZAULTAVYZWPIQU-UHFFFAOYSA-N 0 0 382.451 3.893 20 10 GHCDRN COCCN(CC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C)Cc1ccco1 ZINC000827400327 1022142570 /nfs/dbraw/zinc/14/25/70/1022142570.db2.gz GXLKVRZHXKNOGL-UHFFFAOYSA-N 0 0 385.439 3.553 20 10 GHCDRN Fc1cc(N2CCOCC2)ccc1CN1Cc2cnc(-c3ccccc3)nc2C1 ZINC001140664922 1022209225 /nfs/dbraw/zinc/20/92/25/1022209225.db2.gz WIRRVAWHFJMGGN-UHFFFAOYSA-N 0 0 390.462 3.635 20 10 GHCDRN COc1cccc(N2C[C@@H]([NH2+]Cc3cc(Cl)cc(Cl)c3[O-])CC2=O)c1 ZINC000725852850 1022387987 /nfs/dbraw/zinc/38/79/87/1022387987.db2.gz KFKBBRVSDBKYOB-ZDUSSCGKSA-N 0 0 381.259 3.603 20 10 GHCDRN Cc1ccc(/C=C/C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cn1 ZINC000754245422 1022557111 /nfs/dbraw/zinc/55/71/11/1022557111.db2.gz FZZGDJWPRKKLNR-RUDMXATFSA-N 0 0 387.430 3.790 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3ccnc(Cl)c3F)cc2F)C[C@@H](C)O1 ZINC000754405665 1022679654 /nfs/dbraw/zinc/67/96/54/1022679654.db2.gz KJWIAVORMSJGSA-VXGBXAGGSA-N 0 0 395.837 3.557 20 10 GHCDRN Cc1cc(C(=O)N2CC(=O)N(CC(F)(F)F)C2)c(C)n1-c1cccc(Cl)c1 ZINC000754471531 1022724852 /nfs/dbraw/zinc/72/48/52/1022724852.db2.gz KQSHMRIJMGTJSR-UHFFFAOYSA-N 0 0 399.800 3.552 20 10 GHCDRN O=C(Cc1ccc2c(c1)CCO2)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000754538892 1022759063 /nfs/dbraw/zinc/75/90/63/1022759063.db2.gz YVKARCFPLLDWJV-UHFFFAOYSA-N 0 0 383.403 3.578 20 10 GHCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)c2nccc(C(F)(F)F)n2)cc1 ZINC000754783404 1022893119 /nfs/dbraw/zinc/89/31/19/1022893119.db2.gz BGTFMKQUVJFDPY-MRXNPFEDSA-N 0 0 380.414 3.747 20 10 GHCDRN CN(C)c1ccc(CN2CCCN(C(=O)Cc3ccccc3)CC2)c(Cl)c1 ZINC001140925896 1022903225 /nfs/dbraw/zinc/90/32/25/1022903225.db2.gz HBVKOCAEOVTDSF-UHFFFAOYSA-N 0 0 385.939 3.683 20 10 GHCDRN CN(C)c1ccc(CN2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)c(Cl)c1 ZINC001140926824 1022903969 /nfs/dbraw/zinc/90/39/69/1022903969.db2.gz WMKDBWSBIHKSPN-GOSISDBHSA-N 0 0 389.902 3.940 20 10 GHCDRN Cc1nc(COC[C@@H]2CN(Cc3ccc(C)cc3O)Cc3ncn(C)c32)cs1 ZINC001140949725 1022970646 /nfs/dbraw/zinc/97/06/46/1022970646.db2.gz HCNGNXOCRFPWJE-KRWDZBQOSA-N 0 0 398.532 3.515 20 10 GHCDRN Cc1ccc(CN2CCn3c(COCc4cccc(C)n4)cnc3[C@@H]2C)c(O)c1 ZINC001140951994 1022979619 /nfs/dbraw/zinc/97/96/19/1022979619.db2.gz AXUNJBYKIYNLQK-SFHVURJKSA-N 0 0 392.503 3.894 20 10 GHCDRN C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@@H]1COc2ccccc21 ZINC000755090267 1023068155 /nfs/dbraw/zinc/06/81/55/1023068155.db2.gz CKYMEMLNXWVJCV-IERDGZPVSA-N 0 0 379.504 3.991 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)N[C@@H]3C[C@@H](C)Oc4ccccc43)CC2)cc1 ZINC000836554173 1023107967 /nfs/dbraw/zinc/10/79/67/1023107967.db2.gz IYZHJWLORSTALP-DYESRHJHSA-N 0 0 395.503 3.829 20 10 GHCDRN CC[C@@H](C)c1ccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1 ZINC000755231508 1023146134 /nfs/dbraw/zinc/14/61/34/1023146134.db2.gz UCISGDUJNOMKJM-MRXNPFEDSA-N 0 0 386.517 3.687 20 10 GHCDRN CO[C@](C)(CNC(=O)NCc1cccc(Br)c1O)c1ccccc1 ZINC000836594298 1023155014 /nfs/dbraw/zinc/15/50/14/1023155014.db2.gz UYYBYVYOUUBPGJ-GOSISDBHSA-N 0 0 393.281 3.516 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000755337429 1023203196 /nfs/dbraw/zinc/20/31/96/1023203196.db2.gz NTLHEKNZWDVABI-HOTGVXAUSA-N 0 0 377.529 3.698 20 10 GHCDRN O[C@@H](COc1ccc(N2CCCC2)cc1)COc1cccc(Br)c1 ZINC000755344102 1023205917 /nfs/dbraw/zinc/20/59/17/1023205917.db2.gz AZQSUDYIMDPLKO-KRWDZBQOSA-N 0 0 392.293 3.868 20 10 GHCDRN COc1ccc(N2CCN(C(=O)N[C@@H](c3ccccc3)C(F)F)CC2)cc1 ZINC000836667370 1023230425 /nfs/dbraw/zinc/23/04/25/1023230425.db2.gz HPBZHSPNLDTTPK-SFHVURJKSA-N 0 0 375.419 3.533 20 10 GHCDRN COc1cccc([C@H]2CSCCN2Cc2c(O)cc(OC)cc2OC)c1 ZINC001141032709 1023300326 /nfs/dbraw/zinc/30/03/26/1023300326.db2.gz NFKVHGCQNYIXAF-GOSISDBHSA-N 0 0 375.490 3.708 20 10 GHCDRN CC(C)c1ncsc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000836740829 1023330102 /nfs/dbraw/zinc/33/01/02/1023330102.db2.gz DVHUCTLALHJGQM-UHFFFAOYSA-N 0 0 378.473 3.564 20 10 GHCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CCn2ccnc2C1 ZINC000836781817 1023363053 /nfs/dbraw/zinc/36/30/53/1023363053.db2.gz VIRYNDLOPUDWBC-IEBWSBKVSA-N 0 0 375.472 3.941 20 10 GHCDRN CCOC[C@@H]1C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)Cc2cn(CC)nc21 ZINC001141077065 1023440139 /nfs/dbraw/zinc/44/01/39/1023440139.db2.gz MEJIQVVNUATGGU-QFIPXVFZSA-N 0 0 394.563 3.738 20 10 GHCDRN CC[C@@H](CCO)NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000755992397 1023469783 /nfs/dbraw/zinc/46/97/83/1023469783.db2.gz FOTVUTGLKMKLGF-HNNXBMFYSA-N 0 0 379.298 3.747 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C ZINC000756000428 1023472591 /nfs/dbraw/zinc/47/25/91/1023472591.db2.gz AACRODXESBHSPU-INIZCTEOSA-N 0 0 392.544 3.586 20 10 GHCDRN C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)c1cc(Br)cc(F)c1[O-] ZINC000756350773 1023601363 /nfs/dbraw/zinc/60/13/63/1023601363.db2.gz FTKVVEBBSNHHEE-JQWIXIFHSA-N 0 0 382.229 3.784 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)c1 ZINC000756449489 1023657684 /nfs/dbraw/zinc/65/76/84/1023657684.db2.gz MZRLPCUSEONNSO-HNNXBMFYSA-N 0 0 391.471 3.704 20 10 GHCDRN CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756453943 1023659436 /nfs/dbraw/zinc/65/94/36/1023659436.db2.gz BLFNZIJBJMCSOY-ZJUUUORDSA-N 0 0 377.710 3.764 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2(c3ccc(OC)cc3)CCOCC2)c1 ZINC000756454392 1023659637 /nfs/dbraw/zinc/65/96/37/1023659637.db2.gz MEVADBXZBOMWHK-INIZCTEOSA-N 0 0 399.487 3.586 20 10 GHCDRN C[C@H]([NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1)c1cc(F)cc(F)c1[O-] ZINC000756458104 1023661432 /nfs/dbraw/zinc/66/14/32/1023661432.db2.gz JOIMAGKJKUNNSA-GJZGRUSLSA-N 0 0 376.447 3.742 20 10 GHCDRN COC(=O)N1CCC([NH2+][C@@H](C)c2cc(Br)cc(Cl)c2[O-])CC1 ZINC000756461791 1023664846 /nfs/dbraw/zinc/66/48/46/1023664846.db2.gz VTFXBYKRVFLQGO-VIFPVBQESA-N 0 0 391.693 3.690 20 10 GHCDRN C[C@@H]([NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756503995 1023687271 /nfs/dbraw/zinc/68/72/71/1023687271.db2.gz SDAKTBKZCWDDOK-HWPZZCPQSA-N 0 0 386.326 3.583 20 10 GHCDRN C[C@H]([NH2+]CCCN1CCCCC1=O)c1cc(Br)cc(Cl)c1[O-] ZINC000756556380 1023712024 /nfs/dbraw/zinc/71/20/24/1023712024.db2.gz OGALMBYLGIFAFR-NSHDSACASA-N 0 0 389.721 3.861 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000756590301 1023724557 /nfs/dbraw/zinc/72/45/57/1023724557.db2.gz AABZLKGEIQNBAC-JEYLPNPQSA-N 0 0 392.496 3.665 20 10 GHCDRN C[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756706668 1023783045 /nfs/dbraw/zinc/78/30/45/1023783045.db2.gz CIWFKVBSDVVLDR-NSHDSACASA-N 0 0 388.811 3.897 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756778636 1023813469 /nfs/dbraw/zinc/81/34/69/1023813469.db2.gz OEZHXBRYPDAXMP-HWPZZCPQSA-N 0 0 393.802 3.549 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(F)(F)c1c(F)cccc1F ZINC000756890191 1023848113 /nfs/dbraw/zinc/84/81/13/1023848113.db2.gz TZMCYXAQSRSPST-UHFFFAOYSA-N 0 0 396.384 3.552 20 10 GHCDRN CCc1csc(NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)n1 ZINC000756961137 1023887191 /nfs/dbraw/zinc/88/71/91/1023887191.db2.gz GLDHQZMWJGMCGN-UHFFFAOYSA-N 0 0 398.511 3.573 20 10 GHCDRN COC[C@@]1(CO)CCN(C(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C1 ZINC000837076259 1023997282 /nfs/dbraw/zinc/99/72/82/1023997282.db2.gz BAVVERQVBFVHRW-QHCPKHFHSA-N 0 0 384.520 3.689 20 10 GHCDRN CNC(=O)N[C@H]1CC2(CC[NH+](Cc3cccc(F)c3[O-])CC2)c2ccc(C)cc21 ZINC001138126950 1024173860 /nfs/dbraw/zinc/17/38/60/1024173860.db2.gz NUCJTSABARGXIT-FQEVSTJZSA-N 0 0 397.494 3.747 20 10 GHCDRN Cc1nc(CO[C@H]2COC3(C2)CC[NH+](Cc2cccc(F)c2[O-])CC3)cs1 ZINC001138127127 1024173893 /nfs/dbraw/zinc/17/38/93/1024173893.db2.gz PLSPHZUIPLXSNQ-QGZVFWFLSA-N 0 0 392.496 3.637 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCO[C@@H](c2nccn2C)C1 ZINC000837177324 1024191033 /nfs/dbraw/zinc/19/10/33/1024191033.db2.gz KYTOHOQINIOBQN-NVXWUHKLSA-N 0 0 384.505 3.539 20 10 GHCDRN C/C=C/C[C@H](NC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1)C(=O)OCC ZINC001138133185 1024193157 /nfs/dbraw/zinc/19/31/57/1024193157.db2.gz DSGATPJQEPGCFC-IEJURRBGSA-N 0 0 396.487 3.843 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3sc(C)cc3Br)CC2)cc1 ZINC000837309196 1024336970 /nfs/dbraw/zinc/33/69/70/1024336970.db2.gz DMIJZZYWJVMERL-UHFFFAOYSA-N 0 0 395.322 3.790 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1[nH]ccc1C1CC1 ZINC000837385818 1024406251 /nfs/dbraw/zinc/40/62/51/1024406251.db2.gz FUCDRTJJBVMLIK-UHFFFAOYSA-N 0 0 375.419 3.892 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@H](C)c2c(C)noc2C)c(C)n1-c1ccc(F)cn1 ZINC000837485712 1024495560 /nfs/dbraw/zinc/49/55/60/1024495560.db2.gz QHNDUMIAUGKPBM-GFCCVEGCSA-N 0 0 399.422 3.763 20 10 GHCDRN C[C@H](Cc1cnn(C)c1)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000837601202 1024577766 /nfs/dbraw/zinc/57/77/66/1024577766.db2.gz BXAVGDDHPIJDQG-JKSUJKDBSA-N 0 0 388.943 3.805 20 10 GHCDRN Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837706636 1024649164 /nfs/dbraw/zinc/64/91/64/1024649164.db2.gz HBIUHCDAYIKGFH-HUUCEWRRSA-N 0 0 392.471 3.591 20 10 GHCDRN CCC[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CCC1 ZINC000837714789 1024658114 /nfs/dbraw/zinc/65/81/14/1024658114.db2.gz STCUJPYPQFSFFL-IBGZPJMESA-N 0 0 377.504 3.555 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2nc(C)oc2C)c(C)n1-c1ccc(Cl)cn1 ZINC000837744223 1024675611 /nfs/dbraw/zinc/67/56/11/1024675611.db2.gz QNMLMWHNZDWNRK-UHFFFAOYSA-N 0 0 387.823 3.787 20 10 GHCDRN Cc1cc(C(=O)NC[C@H](C)N2CCCCC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC001138343025 1024704052 /nfs/dbraw/zinc/70/40/52/1024704052.db2.gz QESUBMHCWGCUCJ-HNNXBMFYSA-N 0 0 387.911 3.878 20 10 GHCDRN CCOC[C@@H]1CN(Cc2ccc3c(c2)CCCN3C)Cc2ncn(CC3CC3)c21 ZINC001138355061 1024718318 /nfs/dbraw/zinc/71/83/18/1024718318.db2.gz FERZQYKASOSMNV-NRFANRHFSA-N 0 0 394.563 3.811 20 10 GHCDRN C[C@H](NC(=O)c1cc(Br)cc(F)c1N)c1ccc(N(C)C)cc1 ZINC001138363327 1024728676 /nfs/dbraw/zinc/72/86/76/1024728676.db2.gz NANBJODKXQBIJK-JTQLQIEISA-N 0 0 380.261 3.727 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC001141370871 1024750482 /nfs/dbraw/zinc/75/04/82/1024750482.db2.gz ARXUTCHSZMZZEL-AWEZNQCLSA-N 0 0 383.673 3.856 20 10 GHCDRN COC1CCC(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000838498711 1025176234 /nfs/dbraw/zinc/17/62/34/1025176234.db2.gz CDXAPXOOQRHBTO-CKDBGZEDSA-N 0 0 397.466 3.514 20 10 GHCDRN COc1cc(F)cc(C[C@H](C)NC(=O)NCCCSc2nccs2)c1 ZINC000838513839 1025186043 /nfs/dbraw/zinc/18/60/43/1025186043.db2.gz KXYCHUUIBFNVLU-LBPRGKRZSA-N 0 0 383.514 3.703 20 10 GHCDRN COC(=O)[C@H](NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1)c1ccsc1 ZINC001138679805 1025204380 /nfs/dbraw/zinc/20/43/80/1025204380.db2.gz BUJPNASDQSMYCD-LJQANCHMSA-N 0 0 396.468 3.612 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCC[C@H]2CCOC2)cc1 ZINC000838717173 1025318945 /nfs/dbraw/zinc/31/89/45/1025318945.db2.gz SBNFIVPYXPOTCH-IBGZPJMESA-N 0 0 385.508 3.874 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cccc(Nc2ncccn2)c1 ZINC001162107153 1025608802 /nfs/dbraw/zinc/60/88/02/1025608802.db2.gz DWEMKKKQNHZHLN-KRWDZBQOSA-N 0 0 389.503 3.956 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001162113019 1025611491 /nfs/dbraw/zinc/61/14/91/1025611491.db2.gz CGPFOZVAVZZKGV-GCJKJVERSA-N 0 0 393.531 3.551 20 10 GHCDRN Brc1cc(CN[C@@H]2CCn3ccnc32)ccc1N1CCCCC1 ZINC000839121749 1025618187 /nfs/dbraw/zinc/61/81/87/1025618187.db2.gz ZNXGXHAGUZFYTK-MRXNPFEDSA-N 0 0 375.314 3.871 20 10 GHCDRN CC(C)c1nn(C)c(Cl)c1CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146914 1025641991 /nfs/dbraw/zinc/64/19/91/1025641991.db2.gz ZXXTZHOZRLPPPF-UHFFFAOYSA-N 0 0 398.885 3.602 20 10 GHCDRN Cc1ncc(C[NH2+]Cc2cc(Br)cc(Br)c2[O-])o1 ZINC000839168462 1025678965 /nfs/dbraw/zinc/67/89/65/1025678965.db2.gz AWBKJRKPDZXNPI-UHFFFAOYSA-N 0 0 376.048 3.503 20 10 GHCDRN NC(=O)c1cccc(CCNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)c1 ZINC001162375524 1025727488 /nfs/dbraw/zinc/72/74/88/1025727488.db2.gz NGFQXJNFPWAZKN-UHFFFAOYSA-N 0 0 389.411 3.579 20 10 GHCDRN O=C(C(=O)N1CCC2(C1)CCCCC2)N(Cc1ccco1)Cc1ccccc1O ZINC000839212772 1025728279 /nfs/dbraw/zinc/72/82/79/1025728279.db2.gz UJXHGUSWZDOUDQ-UHFFFAOYSA-N 0 0 396.487 3.697 20 10 GHCDRN C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000839236078 1025748600 /nfs/dbraw/zinc/74/86/00/1025748600.db2.gz AGQDSVAWLNPFHG-HNNXBMFYSA-N 0 0 387.911 3.584 20 10 GHCDRN CCCN(C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCc2ccccc21 ZINC000839246316 1025753850 /nfs/dbraw/zinc/75/38/50/1025753850.db2.gz XZJCRQQFAWBEKA-QFIPXVFZSA-N 0 0 393.531 3.637 20 10 GHCDRN COCC1(CCNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000832653235 1025798533 /nfs/dbraw/zinc/79/85/33/1025798533.db2.gz VPPGEEXMEDCEME-UHFFFAOYSA-N 0 0 380.448 3.973 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1Cl ZINC001139129894 1025941427 /nfs/dbraw/zinc/94/14/27/1025941427.db2.gz JKIQTFJFVHJJJX-GJZGRUSLSA-N 0 0 396.874 3.924 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001139130916 1025943103 /nfs/dbraw/zinc/94/31/03/1025943103.db2.gz JJPRGFSPDKRDHU-KRWDZBQOSA-N 0 0 378.472 3.513 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCC[C@@H](c2nc(C(C)C)no2)C1 ZINC001139131468 1025943663 /nfs/dbraw/zinc/94/36/63/1025943663.db2.gz OKZZEDIHJRIYMV-CQSZACIVSA-N 0 0 383.448 3.693 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CCC2(COc3ccccc32)CC1 ZINC001139134050 1025948008 /nfs/dbraw/zinc/94/80/08/1025948008.db2.gz VXVQMJXNBMCLJB-UHFFFAOYSA-N 0 0 377.440 3.733 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000839508535 1025994840 /nfs/dbraw/zinc/99/48/40/1025994840.db2.gz HREATBKRXMEXNJ-LEWJYISDSA-N 0 0 379.460 3.956 20 10 GHCDRN COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2Br)c1 ZINC000839538784 1026029284 /nfs/dbraw/zinc/02/92/84/1026029284.db2.gz GMYJNJBMMZCCJF-JTQLQIEISA-N 0 0 381.226 3.922 20 10 GHCDRN Cc1cc2cc(NC(=O)C(=O)N[C@@H](C)Cc3ccc(N(C)C)cc3C)ccc2[nH]1 ZINC000839635421 1026140815 /nfs/dbraw/zinc/14/08/15/1026140815.db2.gz YUOVOWKQWIBMRD-INIZCTEOSA-N 0 0 392.503 3.537 20 10 GHCDRN COC(=O)c1cc(Cl)nc(N[C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)n1 ZINC001163487812 1026211661 /nfs/dbraw/zinc/21/16/61/1026211661.db2.gz VFLILQLCEGWSBH-INIZCTEOSA-N 0 0 375.856 3.975 20 10 GHCDRN C[C@]1(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C[C@@H]1c1ccccc1 ZINC000839799252 1026277976 /nfs/dbraw/zinc/27/79/76/1026277976.db2.gz KLXMUQCLNUKCLC-VGSWGCGISA-N 0 0 386.442 3.611 20 10 GHCDRN Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839916405 1026344717 /nfs/dbraw/zinc/34/47/17/1026344717.db2.gz SRRCFDWETFTYDK-KRWDZBQOSA-N 0 0 384.568 3.820 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000839916589 1026344980 /nfs/dbraw/zinc/34/49/80/1026344980.db2.gz VTNHQKBJQGUGFZ-XLIONFOSSA-N 0 0 393.531 3.699 20 10 GHCDRN Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839916407 1026345185 /nfs/dbraw/zinc/34/51/85/1026345185.db2.gz SRRCFDWETFTYDK-QGZVFWFLSA-N 0 0 384.568 3.820 20 10 GHCDRN Cc1nnc(-c2cccc(C(=O)N[C@H](C)Cc3ccc(N(C)C)cc3C)c2)o1 ZINC000839920035 1026348043 /nfs/dbraw/zinc/34/80/43/1026348043.db2.gz ZVMANAIWOSXTKK-OAHLLOKOSA-N 0 0 378.476 3.780 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc2c(c1)NC(=O)C2(C)C ZINC000839921291 1026348374 /nfs/dbraw/zinc/34/83/74/1026348374.db2.gz JAUKKKPCVUDZCY-HNNXBMFYSA-N 0 0 379.504 3.652 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cc1ccccc1O[C@@H]1CCOC1 ZINC000839922852 1026349421 /nfs/dbraw/zinc/34/94/21/1026349421.db2.gz YQUFMRGTAOGNBK-XMSQKQJNSA-N 0 0 396.531 3.519 20 10 GHCDRN Cc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4c(F)ccc(F)c4[O-])C3)C2=O)c1 ZINC001139681880 1026537544 /nfs/dbraw/zinc/53/75/44/1026537544.db2.gz GURLPCFOUKSJLM-JOCHJYFZSA-N 0 0 386.442 3.603 20 10 GHCDRN Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@H+](Cc3c(F)ccc(F)c3[O-])C[C@H]21 ZINC001139683937 1026539024 /nfs/dbraw/zinc/53/90/24/1026539024.db2.gz NZUJXHYWKFHXAU-CABCVRRESA-N 0 0 381.426 3.843 20 10 GHCDRN Oc1cc2c(cc1O)CN(Cc1ccc(I)cc1)CCC2 ZINC001204405119 1026596788 /nfs/dbraw/zinc/59/67/88/1026596788.db2.gz UWBPAWPYEFZFJU-UHFFFAOYSA-N 0 0 395.240 3.651 20 10 GHCDRN COc1ccc(OC(F)(F)F)c(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001165508147 1026749252 /nfs/dbraw/zinc/74/92/52/1026749252.db2.gz MEPQHJLCAZNTTN-UHFFFAOYSA-N 0 0 375.730 3.883 20 10 GHCDRN CCOC[C@H]1CN(Cc2c(O)cccc2Br)Cc2c1cnn2CC ZINC001140100022 1026877489 /nfs/dbraw/zinc/87/74/89/1026877489.db2.gz BKJCYRHTSGRDTH-CYBMUJFWSA-N 0 0 394.313 3.507 20 10 GHCDRN Oc1cccc(Br)c1CN1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001140100480 1026879128 /nfs/dbraw/zinc/87/91/28/1026879128.db2.gz QRYRXKVZGBLVLU-UHFFFAOYSA-N 0 0 379.342 3.995 20 10 GHCDRN COC(=O)c1cnc(SC[C@@H](O)COc2ccc(Cl)c(Cl)c2)s1 ZINC000834383850 1026963377 /nfs/dbraw/zinc/96/33/77/1026963377.db2.gz XBSGKHPIKNKCGU-QMMMGPOBSA-N 0 0 394.301 3.769 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1csc(Cc2ccccc2)n1 ZINC001140198516 1026970993 /nfs/dbraw/zinc/97/09/93/1026970993.db2.gz GUWVICXBTJPMME-UHFFFAOYSA-N 0 0 387.501 3.784 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2ccc(C(=O)NC(C)(C)C)cn2)C1 ZINC001166815833 1027093322 /nfs/dbraw/zinc/09/33/22/1027093322.db2.gz LGNMJJYWKMFYOP-UHFFFAOYSA-N 0 0 392.503 3.673 20 10 GHCDRN Nc1ccc(OCCOc2ccc(Nc3ccc4c(c3)NC(=O)CO4)cc2)cc1 ZINC001203189672 1027227752 /nfs/dbraw/zinc/22/77/52/1027227752.db2.gz OFAQARGMHIPWAE-UHFFFAOYSA-N 0 0 391.427 3.801 20 10 GHCDRN C[C@H]1CN(CCSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)CCO1 ZINC000840157429 1027292231 /nfs/dbraw/zinc/29/22/31/1027292231.db2.gz VDPINSADINCXMW-HKUYNNGSSA-N 0 0 387.549 3.542 20 10 GHCDRN Cc1cccc(C)c1NC(=O)CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840240149 1027369949 /nfs/dbraw/zinc/36/99/49/1027369949.db2.gz DMWACERJHWJLRJ-SFHVURJKSA-N 0 0 396.535 3.547 20 10 GHCDRN CCN(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CC(C)(C)C1 ZINC000840261101 1027389696 /nfs/dbraw/zinc/38/96/96/1027389696.db2.gz KICVTAAYLPZADB-UHFFFAOYSA-N 0 0 377.504 3.507 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCc1noc(-c2cccs2)n1 ZINC000840274563 1027399192 /nfs/dbraw/zinc/39/91/92/1027399192.db2.gz PKVQQCPFNLXKBM-CQSZACIVSA-N 0 0 399.520 3.603 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N3C[C@@H](O)C[C@H]3c3ccccc3)cc2)CC1 ZINC000840291404 1027418430 /nfs/dbraw/zinc/41/84/30/1027418430.db2.gz GVLAJHHEJHOVIP-GOTSBHOMSA-N 0 0 393.531 3.940 20 10 GHCDRN CO[C@@H](C)c1nc(CNC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)cs1 ZINC000840320428 1027450774 /nfs/dbraw/zinc/45/07/74/1027450774.db2.gz CYQFQINRTLWSJJ-CABCVRRESA-N 0 0 390.553 3.655 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(Cc2cc(Br)ccc2O)C2(CC2)C1 ZINC001203635901 1027494022 /nfs/dbraw/zinc/49/40/22/1027494022.db2.gz KYBDMVXFLIALJU-UHFFFAOYSA-N 0 0 397.313 3.740 20 10 GHCDRN COC(=O)[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)[C@H]1c1ccccc1 ZINC001203640101 1027499950 /nfs/dbraw/zinc/49/99/50/1027499950.db2.gz RPOQXPUSTRJLLO-AEFFLSMTSA-N 0 0 390.277 3.891 20 10 GHCDRN Oc1ccc(Cl)cc1CN1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001203659659 1027517308 /nfs/dbraw/zinc/51/73/08/1027517308.db2.gz WZYONNOKLPBFMH-IYJAJMOOSA-N 0 0 394.924 3.698 20 10 GHCDRN C[C@@H](NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1)c1csnn1 ZINC000840458497 1027552445 /nfs/dbraw/zinc/55/24/45/1027552445.db2.gz GSGQKTAOTNJJTM-CQSZACIVSA-N 0 0 385.493 3.670 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC(c2ccncc2)CC1 ZINC000840481894 1027564628 /nfs/dbraw/zinc/56/46/28/1027564628.db2.gz POBPWYFPOPRCHW-GOSISDBHSA-N 0 0 380.536 3.976 20 10 GHCDRN CCNC(=O)c1ccc(NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cc1 ZINC000840487066 1027572271 /nfs/dbraw/zinc/57/22/71/1027572271.db2.gz FKPPYMDSJJMEEA-INIZCTEOSA-N 0 0 382.508 3.563 20 10 GHCDRN COc1ccc(NC(C)=O)cc1NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840490294 1027575028 /nfs/dbraw/zinc/57/50/28/1027575028.db2.gz ZAYUTDZOWYVIJM-OAHLLOKOSA-N 0 0 398.507 3.781 20 10 GHCDRN CCOc1cncc(N(c2ccc(N)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC001210665657 1027595890 /nfs/dbraw/zinc/59/58/90/1027595890.db2.gz JUHWTUUQSHWWBW-UHFFFAOYSA-N 0 0 383.473 3.898 20 10 GHCDRN COc1nccc(N(c2ccc(N)cc2)S(=O)(=O)c2ccc(C)cc2)c1OC ZINC001211087773 1027783453 /nfs/dbraw/zinc/78/34/53/1027783453.db2.gz TYAFSFGRAOFQNR-UHFFFAOYSA-N 0 0 399.472 3.516 20 10 GHCDRN Cc1c([C@@H](C)[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)cccc1[N+](=O)[O-] ZINC000840761274 1027802025 /nfs/dbraw/zinc/80/20/25/1027802025.db2.gz VESXWBPXMHSKMR-CQSZACIVSA-N 0 0 391.418 3.869 20 10 GHCDRN O=C1N[C@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)Nc2cc(F)c(F)cc21 ZINC000840835352 1027868552 /nfs/dbraw/zinc/86/85/52/1027868552.db2.gz XHHAPMUVBMDPEA-GOSISDBHSA-N 0 0 388.374 3.717 20 10 GHCDRN Cc1cc(N(C)C)ccc1CN1CCOC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000840937177 1027971985 /nfs/dbraw/zinc/97/19/85/1027971985.db2.gz PHRCGNDFTDJTRY-HXUWFJFHSA-N 0 0 378.476 3.685 20 10 GHCDRN COc1c(O)c(CNc2ccc(C(=O)NCC(C)C)cc2C)ccc1[N+](=O)[O-] ZINC000840952858 1027982946 /nfs/dbraw/zinc/98/29/46/1027982946.db2.gz WNSYGTKPMNRKLN-UHFFFAOYSA-N 0 0 387.436 3.615 20 10 GHCDRN CCOc1ccc(NC(=O)CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 ZINC000301312926 1028284682 /nfs/dbraw/zinc/28/46/82/1028284682.db2.gz ALVCGXVUMGMCGK-UHFFFAOYSA-N 0 0 391.471 3.861 20 10 GHCDRN CCOC(=O)N1CCC(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1 ZINC000301383711 1028303949 /nfs/dbraw/zinc/30/39/49/1028303949.db2.gz DJGCKHZZZXKRDI-UHFFFAOYSA-N 0 0 383.492 3.753 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC001461368407 1069521142 /nfs/dbraw/zinc/52/11/42/1069521142.db2.gz RNMXBWPCESTPMG-LBPRGKRZSA-N 0 0 387.318 3.714 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc2c(c1)CCCN2 ZINC000841303293 1028396812 /nfs/dbraw/zinc/39/68/12/1028396812.db2.gz QKCYRPWPSSEERN-UHFFFAOYSA-N 0 0 380.492 3.545 20 10 GHCDRN CC(=O)Nc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1 ZINC000301752579 1028401063 /nfs/dbraw/zinc/40/10/63/1028401063.db2.gz WZWXPMCTJXYQOM-QFIPXVFZSA-N 0 0 395.503 3.532 20 10 GHCDRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000841406142 1028580035 /nfs/dbraw/zinc/58/00/35/1028580035.db2.gz PIOUSCCBKDXDKA-CYBMUJFWSA-N 0 0 386.448 3.614 20 10 GHCDRN Cn1ncc(/C=C2/SC(=S)N([C@H]3CCc4ccccc4C3)C2=O)c1Cl ZINC000841496936 1028696570 /nfs/dbraw/zinc/69/65/70/1028696570.db2.gz DXFGXLXVFWISTH-AHSSXEFNSA-N 0 0 389.933 3.832 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N[C@@H]3COCc4ccccc43)cc2)CC1 ZINC000841578156 1028740292 /nfs/dbraw/zinc/74/02/92/1028740292.db2.gz JOHFVOFCYZZMKD-JOCHJYFZSA-N 0 0 379.504 3.994 20 10 GHCDRN CC(=O)N(C)c1ccc(NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)cc1 ZINC000841603708 1028769252 /nfs/dbraw/zinc/76/92/52/1028769252.db2.gz SQOOJEZRGVHDFL-MRXNPFEDSA-N 0 0 382.508 3.796 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3cnc(=O)n(C(C)C)c3)n2)cc1 ZINC001214580577 1028804271 /nfs/dbraw/zinc/80/42/71/1028804271.db2.gz ZEQGWYCYKZFLLB-UHFFFAOYSA-N 0 0 375.432 3.949 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc2ccc(O)cc2c1O ZINC001142418176 1028861902 /nfs/dbraw/zinc/86/19/02/1028861902.db2.gz APBUYODUAVYFKD-HNNXBMFYSA-N 0 0 378.472 3.986 20 10 GHCDRN O=C(NCc1cccc(Cl)c1O)Nc1cc(N2CCCC2=O)ccc1F ZINC001214815514 1028921468 /nfs/dbraw/zinc/92/14/68/1028921468.db2.gz RSFTWLCBRLGHDJ-UHFFFAOYSA-N 0 0 377.803 3.633 20 10 GHCDRN C[C@H]1CC[C@](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)(CC(=O)[O-])C1 ZINC000841793656 1028939050 /nfs/dbraw/zinc/93/90/50/1028939050.db2.gz OJEHNFQKBMNHSY-HRAATJIYSA-N 0 0 389.496 3.956 20 10 GHCDRN CCOC(=O)c1snnc1-c1nc(-c2cc(C)ccc2C(F)(F)F)no1 ZINC001214859695 1028941664 /nfs/dbraw/zinc/94/16/64/1028941664.db2.gz SFECIRZHTBPKPO-UHFFFAOYSA-N 0 0 384.339 3.759 20 10 GHCDRN CCOCc1cc(C[NH2+][C@@H](Cc2cccc(Cl)c2)C(=O)[O-])ccc1OC ZINC000841801883 1028949367 /nfs/dbraw/zinc/94/93/67/1028949367.db2.gz ZDEIREMUVCQPFI-SFHVURJKSA-N 0 0 377.868 3.671 20 10 GHCDRN Nc1ccc(CCNC(=O)NCCCc2ccc(Br)cc2F)cc1 ZINC000841828556 1028970062 /nfs/dbraw/zinc/97/00/62/1028970062.db2.gz XOXIDDALWCPTSS-UHFFFAOYSA-N 0 0 394.288 3.645 20 10 GHCDRN CN1CCCc2cc(CNC(=O)c3cccc(C(=O)OC(C)(C)C)c3)ccc21 ZINC001142465917 1028971625 /nfs/dbraw/zinc/97/16/25/1028971625.db2.gz WTTQFNKXDCSAEI-UHFFFAOYSA-N 0 0 380.488 3.954 20 10 GHCDRN COc1cc(Br)ccc1[C@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841887481 1028987571 /nfs/dbraw/zinc/98/75/71/1028987571.db2.gz LZZTULNGEODWNM-LBPRGKRZSA-N 0 0 392.297 3.643 20 10 GHCDRN COc1cc(NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])ccc1OCC[NH+](C)C ZINC000841892893 1028991275 /nfs/dbraw/zinc/99/12/75/1028991275.db2.gz BPUANXGZBOIHFX-UHFFFAOYSA-N 0 0 395.843 3.515 20 10 GHCDRN Cc1ccncc1/C=C/C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001142501556 1029001928 /nfs/dbraw/zinc/00/19/28/1029001928.db2.gz DWTXADYRCIKAID-YXBWYFRISA-N 0 0 393.487 3.886 20 10 GHCDRN CCN(Cc1cc(Br)ccc1F)C(=O)NCCc1ccc(N)cc1 ZINC000841957041 1029011970 /nfs/dbraw/zinc/01/19/70/1029011970.db2.gz LZDLZFWLAFQHAF-UHFFFAOYSA-N 0 0 394.288 3.945 20 10 GHCDRN COc1ccc2[nH]cc(C3CCN(C(=O)NCCc4ccc(N)cc4)CC3)c2c1 ZINC000841958267 1029013547 /nfs/dbraw/zinc/01/35/47/1029013547.db2.gz XNVYHCVTFHMTTA-UHFFFAOYSA-N 0 0 392.503 3.890 20 10 GHCDRN Oc1cccc(-c2nc(-c3ccc(I)c(F)c3)no2)c1O ZINC001215145861 1029058496 /nfs/dbraw/zinc/05/84/96/1029058496.db2.gz NMAHZRADHVBKDP-UHFFFAOYSA-N 0 0 398.131 3.559 20 10 GHCDRN COc1cc(Br)c(-c2noc(-c3cccc(O)c3O)n2)cc1OC ZINC001215145864 1029059480 /nfs/dbraw/zinc/05/94/80/1029059480.db2.gz NPACEWIWSFDOAY-UHFFFAOYSA-N 0 0 393.193 3.595 20 10 GHCDRN O=C(NCc1ccccc1O)Nc1nc2cc3c(cc2s1)OC(F)(F)O3 ZINC001215154048 1029063640 /nfs/dbraw/zinc/06/36/40/1029063640.db2.gz CKYNOYPGHXKOEF-UHFFFAOYSA-N 0 0 379.344 3.645 20 10 GHCDRN CCOC(OCC)c1ccc(F)c(-c2noc(-c3ccc(O)c(O)c3O)n2)c1 ZINC001215325241 1029153140 /nfs/dbraw/zinc/15/31/40/1029153140.db2.gz HYTNSKDVDYCUCM-UHFFFAOYSA-N 0 0 390.367 3.731 20 10 GHCDRN COc1ccc(C(N)=O)cc1Nc1ccc(OCCOc2ccc(N)cc2)cc1 ZINC001215338599 1029160876 /nfs/dbraw/zinc/16/08/76/1029160876.db2.gz RIUXXCDXAUCQLP-UHFFFAOYSA-N 0 0 393.443 3.578 20 10 GHCDRN C[C@@H](CCCc1cccnc1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000842257633 1029170039 /nfs/dbraw/zinc/17/00/39/1029170039.db2.gz LEQGLHGQRGPLQI-AWEZNQCLSA-N 0 0 387.867 3.616 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3ccc(F)c(C(F)(F)F)c3)C2)cc1 ZINC001461498314 1069579261 /nfs/dbraw/zinc/57/92/61/1069579261.db2.gz ZARRSGFETMTOAH-ZDUSSCGKSA-N 0 0 382.357 3.862 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)CC[C@@H]1CCc2ccccc21 ZINC001142689845 1029272322 /nfs/dbraw/zinc/27/23/22/1029272322.db2.gz DAKGMVHQVXDUSV-SFHVURJKSA-N 0 0 381.472 3.794 20 10 GHCDRN CCOc1ccc(C(=O)CCC(=O)NCc2ccc3cccnc3c2O)cc1 ZINC001142727655 1029351770 /nfs/dbraw/zinc/35/17/70/1029351770.db2.gz CTXZTBXLKVRYPT-UHFFFAOYSA-N 0 0 378.428 3.618 20 10 GHCDRN COc1ccc(-c2ocnc2C(=O)NCc2ccc3cccnc3c2O)cc1 ZINC001142731399 1029357494 /nfs/dbraw/zinc/35/74/94/1029357494.db2.gz XUZOOUNHQVJQRS-UHFFFAOYSA-N 0 0 375.384 3.534 20 10 GHCDRN O=C(c1ccccc1)c1ccc(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1[O-] ZINC000842614367 1029414717 /nfs/dbraw/zinc/41/47/17/1029414717.db2.gz HRZXHQQRCQEDMG-YLJYHZDGSA-N 0 0 381.472 3.720 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC001461540342 1069599680 /nfs/dbraw/zinc/59/96/80/1069599680.db2.gz OPNFGFHAHVHGFU-CRAIPNDOSA-N 0 0 380.257 3.550 20 10 GHCDRN C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cc2n(n1)CCCC2 ZINC000842830738 1029614739 /nfs/dbraw/zinc/61/47/39/1029614739.db2.gz XTWSBQGYHCYCOM-BRWVUGGUSA-N 0 0 386.515 3.823 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3ccc4c(c3)NC(=O)C4(C)C)C2)cc1 ZINC000842874529 1029651112 /nfs/dbraw/zinc/65/11/12/1029651112.db2.gz MNGFNDKCRIOGKD-HNNXBMFYSA-N 0 0 394.471 3.608 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)Cc3c[nH]c4cccc(OC)c34)C2)cc1 ZINC000842876512 1029653745 /nfs/dbraw/zinc/65/37/45/1029653745.db2.gz UENXBPXDAPCXLA-INIZCTEOSA-N 0 0 394.471 3.797 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)[C@H]3CCc4ccc(OC)cc43)C2)cc1 ZINC000842876250 1029653931 /nfs/dbraw/zinc/65/39/31/1029653931.db2.gz RRRRDYPHQKDLRD-KKSFZXQISA-N 0 0 381.472 3.803 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)C[C@H]3COc4cc(OC)ccc43)C2)cc1 ZINC000842878237 1029655608 /nfs/dbraw/zinc/65/56/08/1029655608.db2.gz JDOHHHPWKLFUFR-IRXDYDNUSA-N 0 0 397.471 3.640 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3occc3Br)C2)cc1 ZINC000842878542 1029655676 /nfs/dbraw/zinc/65/56/76/1029655676.db2.gz LAKNUUYGKILMHX-LBPRGKRZSA-N 0 0 380.238 3.734 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3ccccc3-c3nnc(C)o3)C2)cc1 ZINC000842878118 1029656399 /nfs/dbraw/zinc/65/63/99/1029656399.db2.gz HMNSDFLFBTYDMR-INIZCTEOSA-N 0 0 393.443 3.737 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)[C@H](C)Oc3cccc(C(C)=O)c3)C2)cc1 ZINC000842880112 1029658032 /nfs/dbraw/zinc/65/80/32/1029658032.db2.gz YKJPVSGPOVKACT-ROUUACIJSA-N 0 0 397.471 3.735 20 10 GHCDRN COCCn1c(C)c(C)c2cc(-c3nc(COC[C@@H]4CCOC4)no3)ccc21 ZINC000843034894 1029775380 /nfs/dbraw/zinc/77/53/80/1029775380.db2.gz XZMYDSLEQBCBLE-MRXNPFEDSA-N 0 0 385.464 3.508 20 10 GHCDRN CC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(/N=N/c2ccccc2C)cc1C ZINC001143036637 1029799483 /nfs/dbraw/zinc/79/94/83/1029799483.db2.gz UVXZRZSQKWIKJT-AQCRCWNCSA-N 0 0 380.448 3.639 20 10 GHCDRN Cc1cnnn1-c1ccc(NCc2cc(Br)cc(F)c2O)cc1 ZINC001461599372 1069632085 /nfs/dbraw/zinc/63/20/85/1069632085.db2.gz IKWCJBKNWZHSAN-UHFFFAOYSA-N 0 0 377.217 3.795 20 10 GHCDRN Nc1ccc(Cc2nc(C(=O)N3CCC(C4CCOCC4)CC3)cs2)cc1 ZINC000843505883 1030053510 /nfs/dbraw/zinc/05/35/10/1030053510.db2.gz XQAGTCJWGBVAGT-UHFFFAOYSA-N 0 0 385.533 3.595 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NCc1nccc2c1CCCC2 ZINC001222344139 1030081225 /nfs/dbraw/zinc/08/12/25/1030081225.db2.gz DEQOFDYTPATOSY-UHFFFAOYSA-N 0 0 396.560 3.513 20 10 GHCDRN N#[N+][N-]S(=O)(=O)c1ccc(-c2nc(-c3ccc4c(c3)CCCC4=O)no2)cc1 ZINC001217093691 1030156345 /nfs/dbraw/zinc/15/63/45/1030156345.db2.gz OZNLYGBMKZKLDB-UHFFFAOYSA-N 0 0 395.400 3.922 20 10 GHCDRN N#[N+][N-]S(=O)(=O)c1ccc(-c2nc(-c3cccc4ccncc43)no2)cc1 ZINC001217093695 1030156517 /nfs/dbraw/zinc/15/65/17/1030156517.db2.gz PFDPGGIUSVZEEG-UHFFFAOYSA-N 0 0 378.373 3.951 20 10 GHCDRN N#[N+][N-]S(=O)(=O)c1ccc(-c2nc(-c3cc(F)c(F)c(F)c3F)no2)cc1 ZINC001217094833 1030157852 /nfs/dbraw/zinc/15/78/52/1030157852.db2.gz MJJSVWXUMJUIFI-UHFFFAOYSA-N 0 0 399.285 3.959 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC001149776766 1030300552 /nfs/dbraw/zinc/30/05/52/1030300552.db2.gz RZYKSDQPUUTWSK-GOSISDBHSA-N 0 0 392.478 3.945 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)NCc2ccnc(OCc3ccccc3)c2)c1 ZINC001222802184 1030313067 /nfs/dbraw/zinc/31/30/67/1030313067.db2.gz LZQVHWFODKWKIF-UHFFFAOYSA-N 0 0 377.444 3.674 20 10 GHCDRN CC(C)(C)N1C[C@H](C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])CC1=O ZINC001461648713 1069657726 /nfs/dbraw/zinc/65/77/26/1069657726.db2.gz NAMFZTPYBODFBL-JTQLQIEISA-N 0 0 389.721 3.545 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1 ZINC001149880547 1030337498 /nfs/dbraw/zinc/33/74/98/1030337498.db2.gz KPSUBJFXQJPSOT-BGYRXZFFSA-N 0 0 396.487 3.836 20 10 GHCDRN CC[C@@H](C)N(OC)C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC001150313820 1030486554 /nfs/dbraw/zinc/48/65/54/1030486554.db2.gz LWWRPRGROIPYRX-QJMZJAKPSA-N 0 0 396.509 3.606 20 10 GHCDRN COc1ccc(Cn2cc(NC(=O)NCc3cccc(Cl)c3O)cn2)cc1 ZINC001217578335 1030505415 /nfs/dbraw/zinc/50/54/15/1030505415.db2.gz MZAUDXZBYXBAIB-UHFFFAOYSA-N 0 0 386.839 3.621 20 10 GHCDRN O=Cc1ccc(-c2ccc(O)c(C(=O)NCc3c(O)ccc4c3CCCC4)c2)o1 ZINC001150388220 1030513366 /nfs/dbraw/zinc/51/33/66/1030513366.db2.gz WRKAYDVOXFJPJF-UHFFFAOYSA-N 0 0 391.423 3.979 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)CCc2ccc3c(c2)OC(F)(F)O3)c1 ZINC001150543851 1030562928 /nfs/dbraw/zinc/56/29/28/1030562928.db2.gz VQSGVHCWFDTPGI-NSHDSACASA-N 0 0 379.359 3.532 20 10 GHCDRN COc1ccc(CNCc2nnc([C@@H]3C[C@@H]3c3ccc(Cl)cc3)o2)c(O)c1 ZINC001217717510 1030626141 /nfs/dbraw/zinc/62/61/41/1030626141.db2.gz CXCIIVJTDBUXCY-IAGOWNOFSA-N 0 0 385.851 3.998 20 10 GHCDRN Cc1cc(CNC(=O)C[C@H](NC(N)=O)c2ccccc2)c(C)n1-c1ccccc1 ZINC001151153909 1030785322 /nfs/dbraw/zinc/78/53/22/1030785322.db2.gz PKDCLAHWZCTACX-NRFANRHFSA-N 0 0 390.487 3.510 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCCCC3CCC3)cc2F)C[C@@H](C)O1 ZINC001223896383 1030798603 /nfs/dbraw/zinc/79/86/03/1030798603.db2.gz IGPAIDSVTWFFCE-HZPDHXFCSA-N 0 0 377.504 3.819 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)c1ccc2c(c1)O[C@H](C)C(=O)N2 ZINC001151212675 1030809233 /nfs/dbraw/zinc/80/92/33/1030809233.db2.gz WQCHKYPWEDFQFF-XCLFUZPHSA-N 0 0 394.471 3.782 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001224054508 1030864232 /nfs/dbraw/zinc/86/42/32/1030864232.db2.gz DPOQPSKJGIZKIQ-MSOLQXFVSA-N 0 0 389.540 3.842 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N(C)CCCC(=O)OC(C)(C)C)cc1 ZINC001224056372 1030865090 /nfs/dbraw/zinc/86/50/90/1030865090.db2.gz ZYGBXMNMCRXSSR-UHFFFAOYSA-N 0 0 377.529 3.796 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCc2cc3c(cc2OC)C[C@@H](C)O3)cc1 ZINC001224055708 1030865913 /nfs/dbraw/zinc/86/59/13/1030865913.db2.gz PYOBMUCQLASPQY-MRXNPFEDSA-N 0 0 397.519 3.864 20 10 GHCDRN C[C@H](NC(=O)Cc1noc2ccc(Br)cc12)c1ccccc1O ZINC001151899148 1031044957 /nfs/dbraw/zinc/04/49/57/1031044957.db2.gz AITRXNZFNBYPMP-JTQLQIEISA-N 0 0 375.222 3.716 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3c4ccccc4CC[C@H]3C)C2)cc1 ZINC001225018394 1031214057 /nfs/dbraw/zinc/21/40/57/1031214057.db2.gz YSKOSIXYTOGGLG-TVTNDZMWSA-N 0 0 379.504 3.897 20 10 GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C(/C)c1cccc(F)c1 ZINC001152402355 1031220801 /nfs/dbraw/zinc/22/08/01/1031220801.db2.gz XFNHOPJJPVKOMF-JYRVWZFOSA-N 0 0 391.826 3.790 20 10 GHCDRN CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC001152573978 1031287806 /nfs/dbraw/zinc/28/78/06/1031287806.db2.gz OMLFQMOWZSAGOY-HXUWFJFHSA-N 0 0 394.471 3.769 20 10 GHCDRN COc1ccccc1C1(CNC(=O)NCc2ccc(N(C)C)c(F)c2)CCC1 ZINC001225302842 1031338704 /nfs/dbraw/zinc/33/87/04/1031338704.db2.gz DCDIQLJXFMPINH-UHFFFAOYSA-N 0 0 385.483 3.821 20 10 GHCDRN Cc1cc(C(=O)N2[C@H](C)CC[C@@H]2CO)c(C)n1-c1ccccc1Br ZINC001153406629 1031575546 /nfs/dbraw/zinc/57/55/46/1031575546.db2.gz QKMXSACVLTUQOY-IUODEOHRSA-N 0 0 391.309 3.842 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccnn1-c1ccc(F)cc1 ZINC001219821123 1031634889 /nfs/dbraw/zinc/63/48/89/1031634889.db2.gz KJJWMUUZZCMAKG-UHFFFAOYSA-N 0 0 377.423 3.709 20 10 GHCDRN O=C(CCCC(=O)c1ccc(Br)cc1)NCc1cccc(O)c1O ZINC001153798027 1031747643 /nfs/dbraw/zinc/74/76/43/1031747643.db2.gz IOHWDGFEJLYAMM-UHFFFAOYSA-N 0 0 392.249 3.530 20 10 GHCDRN CC[C@H](Cc1ccccc1Br)C(=O)NCc1cc(O)ccc1O ZINC001153885917 1031791919 /nfs/dbraw/zinc/79/19/19/1031791919.db2.gz SEWCLKDLZRUVGI-GFCCVEGCSA-N 0 0 378.266 3.745 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)Nc3ccc4c(c3)C[C@@H](C)O4)C2)cc1 ZINC001220213319 1031840083 /nfs/dbraw/zinc/84/00/83/1031840083.db2.gz FIVHNVDCQCZAQL-HZPDHXFCSA-N 0 0 381.476 3.667 20 10 GHCDRN Cc1cc(C(=O)NCc2noc3c2CC(C)(C)CC3)c(C)n1-c1ccccn1 ZINC001154017752 1031875118 /nfs/dbraw/zinc/87/51/18/1031875118.db2.gz RXKCILKJUGLPOV-UHFFFAOYSA-N 0 0 378.476 3.922 20 10 GHCDRN Cc1cnc(F)c([C@@H](C)Oc2cc(O)c(O)c3c2C(=O)c2ccccc2C3=O)c1 ZINC001229199180 1033337022 /nfs/dbraw/zinc/33/70/22/1033337022.db2.gz UFIPGUPNEKPHNX-LLVKDONJSA-N 0 0 393.370 3.856 20 10 GHCDRN CCC[C@@H](CC(=O)OC)Oc1c(OC)ccc2c1C(=O)c1ccccc1C2=O ZINC001229241985 1033363716 /nfs/dbraw/zinc/36/37/16/1033363716.db2.gz GWIKWIIUHPZYSU-ZDUSSCGKSA-N 0 0 382.412 3.581 20 10 GHCDRN COc1ccc(CN2C[C@H](C)Oc3ccc(Br)cc32)c(O)c1OC ZINC001205542103 1033460885 /nfs/dbraw/zinc/46/08/85/1033460885.db2.gz WCWHKOWMDYVWDR-NSHDSACASA-N 0 0 394.265 3.959 20 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Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)c1 ZINC001236665611 1041813040 /nfs/dbraw/zinc/81/30/40/1041813040.db2.gz LFIOORNCQCSYBI-OAHLLOKOSA-N 0 0 395.341 3.688 20 10 GHCDRN COC(=O)[C@H](Cc1ccccc1)N(C)Cc1cc(C)cc(Br)c1O ZINC001236669598 1041817665 /nfs/dbraw/zinc/81/76/65/1041817665.db2.gz PDOXKYWVUXVNRK-KRWDZBQOSA-N 0 0 392.293 3.679 20 10 GHCDRN COc1cc(O)c(CN(CC(=O)OC(C)(C)C)Cc2ccccc2)cc1OC ZINC001236749304 1041870828 /nfs/dbraw/zinc/87/08/28/1041870828.db2.gz BJXHBFNHBKKQLW-UHFFFAOYSA-N 0 0 387.476 3.753 20 10 GHCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001236789418 1041896004 /nfs/dbraw/zinc/89/60/04/1041896004.db2.gz GDSBRPVNMBGYIO-BETUJISGSA-N 0 0 384.332 3.719 20 10 GHCDRN COc1cc(O)c(CN2Cc3ncn(C)c3[C@H](COCC(C)C)C2)c(Cl)c1 ZINC001236795392 1041899803 /nfs/dbraw/zinc/89/98/03/1041899803.db2.gz KALZJTULSVYSAE-AWEZNQCLSA-N 0 0 393.915 3.560 20 10 GHCDRN COc1cc(O)c(CN2CCn3c(COCC4CC4)cnc3[C@@H]2C)c(Cl)c1 ZINC001236799039 1041902382 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C[C@H](NC(=O)N1CCC(O)(Cc2ccccc2F)CC1)c1ccc(N(C)C)cc1 ZINC001321357825 1056234129 /nfs/dbraw/zinc/23/41/29/1056234129.db2.gz LQAZJDPBYMZOPR-KRWDZBQOSA-N 0 0 399.510 3.732 20 10 GHCDRN O=C(COc1ccc(Br)cc1)Nc1c2nonc2ccc1Cl ZINC001321387875 1056242217 /nfs/dbraw/zinc/24/22/17/1056242217.db2.gz BBNSHBBZVZNPTH-UHFFFAOYSA-N 0 0 382.601 3.656 20 10 GHCDRN Cc1cc(C(=O)NC[C@H](CO)CC2CCOCC2)c(C)n1-c1ccccc1C ZINC001322026606 1056479772 /nfs/dbraw/zinc/47/97/72/1056479772.db2.gz IEIASIZFVSFBRH-HXUWFJFHSA-N 0 0 384.520 3.558 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N(C)[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000848127556 1056722323 /nfs/dbraw/zinc/72/23/23/1056722323.db2.gz WHNYGNVREBFZGY-GOSISDBHSA-N 0 0 393.491 3.861 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)N2CCCc3c(F)cc(F)cc32)C1 ZINC001354593157 1056797073 /nfs/dbraw/zinc/79/70/73/1056797073.db2.gz NNZGMUBQSGUFHS-CQSZACIVSA-N 0 0 378.419 3.858 20 10 GHCDRN C[C@@H](O)CC(C)(C)C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC001200715378 1056798405 /nfs/dbraw/zinc/79/84/05/1056798405.db2.gz YVNPSEFGTCUVTO-SECBINFHSA-N 0 0 395.135 3.804 20 10 GHCDRN Cc1cnc(Cl)cc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC001354658507 1056867037 /nfs/dbraw/zinc/86/70/37/1056867037.db2.gz PICRMOALBPGOOX-ZIAGYGMSSA-N 0 0 391.874 3.726 20 10 GHCDRN Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cccc(Br)c2[O-])n1 ZINC001323321896 1056953184 /nfs/dbraw/zinc/95/31/84/1056953184.db2.gz KBRWLXPJHIMIHK-OAHLLOKOSA-N 0 0 376.298 3.935 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCO[C@@]3(CCCOC3)C2)c1 ZINC001323786746 1057013195 /nfs/dbraw/zinc/01/31/95/1057013195.db2.gz OMRBVGPKKLCDBM-NRFANRHFSA-N 0 0 388.895 3.769 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)c(C)n1-c1ccccn1 ZINC000848347391 1057034413 /nfs/dbraw/zinc/03/44/13/1057034413.db2.gz PMECMUXSDHQJJY-HOCLYGCPSA-N 0 0 381.398 3.719 20 10 GHCDRN CCn1c(-c2ccc(Br)cc2)cnc1SCC[C@@H]1CCNC1=O ZINC000848426094 1057081036 /nfs/dbraw/zinc/08/10/36/1057081036.db2.gz IEBPYFMQQOAXEH-ZDUSSCGKSA-N 0 0 394.338 3.951 20 10 GHCDRN COc1cc(Br)cc([C@H](C)N[C@@H](C)c2nnc(C(C)C)[nH]2)c1O ZINC000848536820 1057158231 /nfs/dbraw/zinc/15/82/31/1057158231.db2.gz VQTAOTZAKLSUJN-UWVGGRQHSA-N 0 0 383.290 3.817 20 10 GHCDRN COc1cc(Br)cc([C@H](C)Nc2ccc3c(c2)C(=O)NCC3)c1O ZINC000848544040 1057165234 /nfs/dbraw/zinc/16/52/34/1057165234.db2.gz NQMAOSZIYJMTDN-JTQLQIEISA-N 0 0 391.265 3.622 20 10 GHCDRN COc1cccc(N2CCC(NC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)c1 ZINC001324574037 1057168027 /nfs/dbraw/zinc/16/80/27/1057168027.db2.gz AIFMFECHPBTMGY-UHFFFAOYSA-N 0 0 396.535 3.572 20 10 GHCDRN CCOc1ccc(N2CCN(CC(=O)Nc3ccc(SC)cc3)CC2)cc1 ZINC001324605589 1057177711 /nfs/dbraw/zinc/17/77/11/1057177711.db2.gz TVDSGQBOWBHQAE-UHFFFAOYSA-N 0 0 385.533 3.568 20 10 GHCDRN CCN(CC)c1ccc(CNc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)cc1F ZINC000848561700 1057180010 /nfs/dbraw/zinc/18/00/10/1057180010.db2.gz BZAKFTYSMLPANF-JOCHJYFZSA-N 0 0 398.482 3.681 20 10 GHCDRN CN1C(=O)N[C@](C)(c2ccc(NCc3ccc(N4CCCCC4)cc3)cc2)C1=O ZINC000848562986 1057180916 /nfs/dbraw/zinc/18/09/16/1057180916.db2.gz OSJKVRLXFZYNKL-HSZRJFAPSA-N 0 0 392.503 3.686 20 10 GHCDRN CCN(C(=O)C(=O)N(C)Cc1ccccc1O)[C@@H](C)c1cc2ccccc2o1 ZINC001324895090 1057242874 /nfs/dbraw/zinc/24/28/74/1057242874.db2.gz SKJJPOAOXRLODK-HNNXBMFYSA-N 0 0 380.444 3.707 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2ccn(CCc3ccccc3)n2)cc1 ZINC001355912417 1057312097 /nfs/dbraw/zinc/31/20/97/1057312097.db2.gz WUXJHMGLDVNHIT-UHFFFAOYSA-N 0 0 376.504 3.902 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)N3CC[C@]34CCOC4)cc2Cl)C1 ZINC001326256611 1057443121 /nfs/dbraw/zinc/44/31/21/1057443121.db2.gz WKKGBUVIQYPYIS-MGPUTAFESA-N 0 0 377.916 3.651 20 10 GHCDRN CCn1ncc2cc(C(=O)N(C)Cc3ccc(N4CCCC4)cc3)c(C)nc21 ZINC001356268186 1057453906 /nfs/dbraw/zinc/45/39/06/1057453906.db2.gz VAHGWLFNSGDNFX-UHFFFAOYSA-N 0 0 377.492 3.632 20 10 GHCDRN CN(Cc1cc(F)cc(F)c1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001326397526 1057474557 /nfs/dbraw/zinc/47/45/57/1057474557.db2.gz VBWFYMREPQEBBI-UHFFFAOYSA-N 0 0 391.487 3.860 20 10 GHCDRN CC(C)N(CCc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001326471595 1057490796 /nfs/dbraw/zinc/49/07/96/1057490796.db2.gz YTRDELOCIPJLRY-UHFFFAOYSA-N 0 0 381.520 3.686 20 10 GHCDRN COC(=O)c1ccc(-n2c(C)cc(C(=O)Cn3cnc4c3CCCC4)c2C)cc1 ZINC001473038857 1057546987 /nfs/dbraw/zinc/54/69/87/1057546987.db2.gz UQKPLEXWZKPRGZ-UHFFFAOYSA-N 0 0 391.471 3.839 20 10 GHCDRN Cc1cc(NC(=O)NCc2ccc3c(c2)CCCN3C)ccc1N1CCCC1=O ZINC001338010309 1058368784 /nfs/dbraw/zinc/36/87/84/1058368784.db2.gz JOJSJHQGXUBWSM-UHFFFAOYSA-N 0 0 392.503 3.826 20 10 GHCDRN CCOC(=O)CC1CCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC001440338718 1058499558 /nfs/dbraw/zinc/49/95/58/1058499558.db2.gz MPWOURLHLOCVAD-UHFFFAOYSA-N 0 0 382.504 3.828 20 10 GHCDRN Cc1cc(C)nc(Nc2ccc(O)c(C(=O)NCc3ccc(N(C)C)cc3)c2)n1 ZINC001440644715 1058555586 /nfs/dbraw/zinc/55/55/86/1058555586.db2.gz FXRUKRWEAHLSFU-UHFFFAOYSA-N 0 0 391.475 3.539 20 10 GHCDRN Cc1c(F)ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1N ZINC001442929921 1059030916 /nfs/dbraw/zinc/03/09/16/1059030916.db2.gz VNIGKRWUGUYEOO-UHFFFAOYSA-N 0 0 393.409 3.717 20 10 GHCDRN COC(=O)[C@H](CNC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1)CC(C)C ZINC001444274921 1059297730 /nfs/dbraw/zinc/29/77/30/1059297730.db2.gz BYDQFEABROEVGL-IBGZPJMESA-N 0 0 398.503 3.780 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCCC[C@H]2C(N)=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC001444977133 1059427367 /nfs/dbraw/zinc/42/73/67/1059427367.db2.gz HZKBJIOGBAJSIQ-CTNGQTDRSA-N 0 0 381.520 3.991 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)/C=C/c1ccc(C)nc1 ZINC001445662643 1059589313 /nfs/dbraw/zinc/58/93/13/1059589313.db2.gz ZOXPNVKXOCUCJN-RMKNXTFCSA-N 0 0 375.266 3.920 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccc4c(c3)OC(C)(C)C4)CC2)cc1F ZINC001445856686 1059637001 /nfs/dbraw/zinc/63/70/01/1059637001.db2.gz XBIXBQDHCKIBSA-UHFFFAOYSA-N 0 0 384.451 3.510 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(F)cc(Br)c2F)c1 ZINC001445969893 1059667213 /nfs/dbraw/zinc/66/72/13/1059667213.db2.gz OBEHHVHBHXZNFV-QMMMGPOBSA-N 0 0 386.192 3.933 20 10 GHCDRN Cc1ccc(CNC(=O)c2cc3cc(O)c(O)cc3s2)c(O[C@@H]2CCOC2)c1 ZINC001446052742 1059687567 /nfs/dbraw/zinc/68/75/67/1059687567.db2.gz UFGMJEXCFYBPJO-OAHLLOKOSA-N 0 0 399.468 3.719 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](CO)c2sccc2C)CCCC1 ZINC001446701025 1059834628 /nfs/dbraw/zinc/83/46/28/1059834628.db2.gz NKQDIFHVFRORJQ-GOSISDBHSA-N 0 0 398.528 3.748 20 10 GHCDRN CC[C@H](c1nnc(N(C)Cc2ccccc2O)n1CC)[C@H](O)c1ccccc1 ZINC001340975667 1060302843 /nfs/dbraw/zinc/30/28/43/1060302843.db2.gz SKMFNBWKBMCENV-AZUAARDMSA-N 0 0 380.492 3.867 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)c1cc2cc(O)c(O)cc2s1 ZINC001448957335 1060306082 /nfs/dbraw/zinc/30/60/82/1060306082.db2.gz GENXSDYSSQHKIE-UHFFFAOYSA-N 0 0 394.246 3.711 20 10 GHCDRN C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)Cc1ccc(O)c(O)c1 ZINC001450142172 1060539296 /nfs/dbraw/zinc/53/92/96/1060539296.db2.gz JRXCWEFEXBSVGG-SGTLLEGYSA-N 0 0 395.377 3.648 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H](C)c2cncc(F)c2)cc1 ZINC001451240096 1060752828 /nfs/dbraw/zinc/75/28/28/1060752828.db2.gz QTRDQQOWPHPKCN-OAHLLOKOSA-N 0 0 379.435 3.861 20 10 GHCDRN Cc1c(C(=O)NCc2ccc(O)cc2O)cnn1-c1cccc(C(F)(F)F)c1 ZINC001451772502 1060832756 /nfs/dbraw/zinc/83/27/56/1060832756.db2.gz WXYQWAWKVKKVHT-UHFFFAOYSA-N 0 0 391.349 3.541 20 10 GHCDRN Cc1cc(N(C)C)ccc1Cn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001361095289 1061592762 /nfs/dbraw/zinc/59/27/62/1061592762.db2.gz HLKYAGBQKRQNRU-HDICACEKSA-N 0 0 390.535 3.855 20 10 GHCDRN Cc1c[nH]c(=O)c(CNC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)c1 ZINC001346681429 1061789926 /nfs/dbraw/zinc/78/99/26/1061789926.db2.gz QTTLIFXFSKSNGA-UHFFFAOYSA-N 0 0 394.475 3.667 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@@H]1c2ccccc2C(=O)N1C ZINC001454717434 1061920436 /nfs/dbraw/zinc/92/04/36/1061920436.db2.gz SCNDOOJSANUDPN-JOCHJYFZSA-N 0 0 387.483 3.959 20 10 GHCDRN CCOC(=O)[C@H](CC=C(C)C)NC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC001455033179 1061984094 /nfs/dbraw/zinc/98/40/94/1061984094.db2.gz KQBFYDCYSBXINJ-FQEVSTJZSA-N 0 0 396.487 3.924 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC001455037673 1061984800 /nfs/dbraw/zinc/98/48/00/1061984800.db2.gz STBJHOYDHKJOMA-JOCHJYFZSA-N 0 0 382.460 3.675 20 10 GHCDRN O=C(c1ccc(Cl)c(I)c1)N1Cc2cccc(O)c2C1 ZINC001455036369 1061985022 /nfs/dbraw/zinc/98/50/22/1061985022.db2.gz HIPKZJMHDCPIJY-UHFFFAOYSA-N 0 0 399.615 3.806 20 10 GHCDRN COc1ccc([C@H](CCO)NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)cc1 ZINC001545807039 1062010722 /nfs/dbraw/zinc/01/07/22/1062010722.db2.gz YDGMHSMOIYRILF-QHCPKHFHSA-N 0 0 392.499 3.885 20 10 GHCDRN Cc1cc(C(=O)N2CCC3(CC2)COCCO3)c(C)n1-c1ccc(Cl)cc1 ZINC001455177586 1062036130 /nfs/dbraw/zinc/03/61/30/1062036130.db2.gz MLSRCDZPVOJHHT-UHFFFAOYSA-N 0 0 388.895 3.769 20 10 GHCDRN CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccc(O)c2O)c1 ZINC001455318071 1062101742 /nfs/dbraw/zinc/10/17/42/1062101742.db2.gz ZVFKRZOHZKNODT-UHFFFAOYSA-N 0 0 391.855 3.601 20 10 GHCDRN Cc1nn(-c2ccccc2)c2sc(C(=O)NCc3cccc(O)c3O)cc12 ZINC001455319769 1062103816 /nfs/dbraw/zinc/10/38/16/1062103816.db2.gz STOJHTPSENWDJC-UHFFFAOYSA-N 0 0 379.441 3.737 20 10 GHCDRN CC(C)N(CCc1ccccc1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001347379437 1062336682 /nfs/dbraw/zinc/33/66/82/1062336682.db2.gz GWBFUMMPHNVNSK-UHFFFAOYSA-N 0 0 395.547 3.810 20 10 GHCDRN CC(C)c1noc2nc(-c3ccco3)cc(C(=O)NCc3c(O)cccc3O)c21 ZINC001456234896 1062570661 /nfs/dbraw/zinc/57/06/61/1062570661.db2.gz KBPXCPQUSGCZBW-UHFFFAOYSA-N 0 0 393.399 3.947 20 10 GHCDRN C[C@@H]1Nc2ccnn2[C@@H](C)[C@@H]1CCC(=O)NCc1c(O)ccc2ccccc21 ZINC001456312107 1062607995 /nfs/dbraw/zinc/60/79/95/1062607995.db2.gz YPTGJBCQJCQHOW-YQQAZPJKSA-N 0 0 378.476 3.830 20 10 GHCDRN COc1ccc(N(C)C(=O)C2=CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1Cl ZINC001435504438 1062687773 /nfs/dbraw/zinc/68/77/73/1062687773.db2.gz FGZXLDMAQFNMKZ-CYBMUJFWSA-N 0 0 380.872 3.925 20 10 GHCDRN COC(=O)[C@@]1(C)CCN(C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C1 ZINC001435546377 1062723049 /nfs/dbraw/zinc/72/30/49/1062723049.db2.gz QCGVATWDOWTAJO-NRFANRHFSA-N 0 0 388.895 3.702 20 10 GHCDRN Cc1cc(CC(=O)N[C@]23CC(=O)N[C@H]2CCCC3)c(C)n1-c1ccc(Cl)cc1 ZINC001456988240 1062940369 /nfs/dbraw/zinc/94/03/69/1062940369.db2.gz HDXGKCSMMSEGAA-SIKLNZKXSA-N 0 0 399.922 3.608 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@@H](c3n[nH]cc3N)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC001457149146 1062990541 /nfs/dbraw/zinc/99/05/41/1062990541.db2.gz KDMUHMCLTZWQDN-QGZVFWFLSA-N 0 0 377.492 3.646 20 10 GHCDRN CCCc1ccc(N2C[C@H](C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2=O)cc1 ZINC001435946591 1063022788 /nfs/dbraw/zinc/02/27/88/1063022788.db2.gz FVMLQGFXZAHJQD-FXAWDEMLSA-N 0 0 393.531 3.935 20 10 GHCDRN CC(C)c1ncc(Br)c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC001435953643 1063028540 /nfs/dbraw/zinc/02/85/40/1063028540.db2.gz JJTIVJXMKNKNSK-GFCCVEGCSA-N 0 0 391.313 3.920 20 10 GHCDRN Cc1cc(C(F)(F)F)n2nc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc2n1 ZINC001435954039 1063029559 /nfs/dbraw/zinc/02/95/59/1063029559.db2.gz PAGMGPFAFJTGMZ-GFCCVEGCSA-N 0 0 391.397 3.614 20 10 GHCDRN COC(=O)c1cn(C)nc1NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC001457446366 1063188417 /nfs/dbraw/zinc/18/84/17/1063188417.db2.gz GXMZWCKUZFWNJR-UHFFFAOYSA-N 0 0 386.839 3.520 20 10 GHCDRN C[C@@H](C1CC1)N(C)c1nnc(C2Sc3ncccc3C2=O)n1C[C@@H]1CCOC1 ZINC001348910152 1063394494 /nfs/dbraw/zinc/39/44/94/1063394494.db2.gz HKCFNWKERBJRBQ-STQMWFEESA-N 0 0 399.520 3.532 20 10 GHCDRN Cc1ccc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1Cl ZINC001436623769 1063574081 /nfs/dbraw/zinc/57/40/81/1063574081.db2.gz IOVLOOIFUWBPEB-UHFFFAOYSA-N 0 0 380.822 3.693 20 10 GHCDRN CCc1nc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)nn1-c1ccccc1 ZINC001436848290 1063673492 /nfs/dbraw/zinc/67/34/92/1063673492.db2.gz MGUAXNHYFNSNLX-QGZVFWFLSA-N 0 0 391.519 3.565 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)COc3cc(C)c(Cl)c(C)c3)C2)cc1 ZINC001437581239 1063901857 /nfs/dbraw/zinc/90/18/57/1063901857.db2.gz SBFSCKWYZKYNPO-MRXNPFEDSA-N 0 0 388.895 3.739 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3cc(C)nc4ccccc43)CC2)c(OC)c1 ZINC001438185844 1064000501 /nfs/dbraw/zinc/00/05/01/1064000501.db2.gz FINCKASUTSHIDH-UHFFFAOYSA-N 0 0 391.471 3.523 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3cccc4c3CCCC4)CC2)c(OC)c1 ZINC001438186193 1064000625 /nfs/dbraw/zinc/00/06/25/1064000625.db2.gz PTNNPZJJFDXPFY-UHFFFAOYSA-N 0 0 380.488 3.545 20 10 GHCDRN Cc1cc(C(=O)CSC[C@H]2CN(C)CCO2)c(C)n1-c1ccc2c(c1)CCC2 ZINC001459157598 1064009879 /nfs/dbraw/zinc/00/98/79/1064009879.db2.gz MHBVNPJMJISDLE-OAQYLSRUSA-N 0 0 398.572 3.829 20 10 GHCDRN Cc1cc(CNC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)c(C)n1-c1ccccc1 ZINC001438305366 1064027132 /nfs/dbraw/zinc/02/71/32/1064027132.db2.gz TZVABPZLGHSPLM-QGZVFWFLSA-N 0 0 393.453 3.985 20 10 GHCDRN COC(=O)c1cc(OCC(=O)Nc2c(Cl)cccc2Cl)ccc1N(C)C ZINC001459240803 1064032377 /nfs/dbraw/zinc/03/23/77/1064032377.db2.gz QNANDPFYGAGTAX-UHFFFAOYSA-N 0 0 397.258 3.864 20 10 GHCDRN C[C@H]1CCCN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 ZINC001459389432 1064083040 /nfs/dbraw/zinc/08/30/40/1064083040.db2.gz XDDIKSKQUZRFOD-HNNXBMFYSA-N 0 0 376.456 3.523 20 10 GHCDRN C[C@H]1CCC[C@H](C)N(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001459506107 1064115530 /nfs/dbraw/zinc/11/55/30/1064115530.db2.gz IPNIJNUNDVCXLI-HOTGVXAUSA-N 0 0 390.483 3.911 20 10 GHCDRN CN(C)c1ccc(/C=C/C[NH2+][C@@H](Cc2ccc(OC(F)F)cc2)C(=O)[O-])cc1 ZINC001350646738 1064152554 /nfs/dbraw/zinc/15/25/54/1064152554.db2.gz LPHDWUVCAUOLIK-RTLBZRNLSA-N 0 0 390.430 3.653 20 10 GHCDRN Cn1nccc1CCN(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 ZINC001459666213 1064159791 /nfs/dbraw/zinc/15/97/91/1064159791.db2.gz ZXDWCPCYCTXUJU-VMPITWQZSA-N 0 0 375.472 3.954 20 10 GHCDRN CC[C@H](C)n1nccc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC001350933776 1064222583 /nfs/dbraw/zinc/22/25/83/1064222583.db2.gz QTZZKXKENXSBGL-ARFHVFGLSA-N 0 0 388.487 3.537 20 10 GHCDRN COC(=O)c1cc(CN(c2ccc(OC)c(F)c2)C(C)C)cc(C(=O)OC)c1 ZINC001459804340 1064224086 /nfs/dbraw/zinc/22/40/86/1064224086.db2.gz VEEFQTCIPMNUGC-UHFFFAOYSA-N 0 0 389.423 3.823 20 10 GHCDRN COC(=O)[C@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccc(C(F)(F)F)cc1 ZINC001459849946 1064243022 /nfs/dbraw/zinc/24/30/22/1064243022.db2.gz MLSMQZPWKHHWBT-APPDUMDISA-N 0 0 383.366 3.985 20 10 GHCDRN C/C(=C/C(=O)N1CCc2cc(Cl)cc(Br)c21)c1cnccn1 ZINC001459949617 1064296876 /nfs/dbraw/zinc/29/68/76/1064296876.db2.gz HROUDUVABWLEFF-POHAHGRESA-N 0 0 378.657 3.885 20 10 GHCDRN CC1=C(C)CN([C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 ZINC001460030942 1064360095 /nfs/dbraw/zinc/36/00/95/1064360095.db2.gz IDMHZQSIBMQYLM-MRXNPFEDSA-N 0 0 388.467 3.831 20 10 GHCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)c(C)n1C[C@@H]1CCCOC1 ZINC001351362260 1064406289 /nfs/dbraw/zinc/40/62/89/1064406289.db2.gz WLFREDPDJRGRGZ-SFHVURJKSA-N 0 0 387.499 3.667 20 10 GHCDRN COc1ccc(CNS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)c(O)c1 ZINC001463591281 1064485614 /nfs/dbraw/zinc/48/56/14/1064485614.db2.gz RPKOUUALONIJFS-UHFFFAOYSA-N 0 0 390.288 3.803 20 10 GHCDRN C[C@H](CCc1ccc(F)cc1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC001463774183 1064605393 /nfs/dbraw/zinc/60/53/93/1064605393.db2.gz ABZVGNMXLSCMGN-GOSISDBHSA-N 0 0 384.495 3.890 20 10 GHCDRN CCc1ccc(S(=O)(=O)N(C)CCN(C)c2ccc(OC)cc2)cc1CC ZINC001464009659 1064767585 /nfs/dbraw/zinc/76/75/85/1064767585.db2.gz JRXZLUUFNSIEKL-UHFFFAOYSA-N 0 0 390.549 3.577 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(=O)[nH]cc1Br ZINC001464346286 1064964793 /nfs/dbraw/zinc/96/47/93/1064964793.db2.gz IIICCYUMVNYILL-UHFFFAOYSA-N 0 0 392.297 3.667 20 10 GHCDRN Cc1noc([C@@H](C)N(C)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)n1 ZINC000847280012 1064980774 /nfs/dbraw/zinc/98/07/74/1064980774.db2.gz YCEDSTHVEXTKSL-MRXNPFEDSA-N 0 0 381.480 3.731 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nnn(-c2ccccc2)c1C(F)F ZINC000847400062 1065216069 /nfs/dbraw/zinc/21/60/69/1065216069.db2.gz XEBAOALCFCBIQX-UHFFFAOYSA-N 0 0 399.445 3.933 20 10 GHCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1nc(F)ccc1Br ZINC000847400831 1065220584 /nfs/dbraw/zinc/22/05/84/1065220584.db2.gz XLRVXRPOCHUYRO-UHFFFAOYSA-N 0 0 392.272 3.904 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(C)c(C(C)=O)c2)cc1 ZINC000847481367 1065398823 /nfs/dbraw/zinc/39/88/23/1065398823.db2.gz VZMRTRZULGKSCY-UHFFFAOYSA-N 0 0 395.503 3.641 20 10 GHCDRN COc1cc(NC(=O)C(=O)N(C)Cc2ccccc2O)c(C2CC2)cc1Cl ZINC000847481559 1065409264 /nfs/dbraw/zinc/40/92/64/1065409264.db2.gz LDYGAGAHPBHZOG-UHFFFAOYSA-N 0 0 388.851 3.529 20 10 GHCDRN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(O)c1O ZINC001465275892 1065519729 /nfs/dbraw/zinc/51/97/29/1065519729.db2.gz ZBLGKHCVIAGYGO-UHFFFAOYSA-N 0 0 387.823 3.854 20 10 GHCDRN CC(C)CCOc1ccccc1NC(=O)C(=O)NCc1cc(Cl)ccc1O ZINC000847533773 1065550837 /nfs/dbraw/zinc/55/08/37/1065550837.db2.gz JSUOVUHBWHUEFG-UHFFFAOYSA-N 0 0 390.867 3.725 20 10 GHCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]CCOC1CCCC1 ZINC001200223087 1065643054 /nfs/dbraw/zinc/64/30/54/1065643054.db2.gz CFFKQXDYIBIIHH-UHFFFAOYSA-N 0 0 393.119 3.966 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001465954529 1065936739 /nfs/dbraw/zinc/93/67/39/1065936739.db2.gz QCJCNHGIXNLXBZ-SFHVURJKSA-N 0 0 379.378 3.640 20 10 GHCDRN COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC001466435334 1066154002 /nfs/dbraw/zinc/15/40/02/1066154002.db2.gz QTEAETRLKAEWAD-NZQKXSOJSA-N 0 0 398.503 3.954 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC001300395907 1066209123 /nfs/dbraw/zinc/20/91/23/1066209123.db2.gz GYFZQFYRFAAPEZ-HUUCEWRRSA-N 0 0 382.888 3.745 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@@]2(C)CO)c(C)n1-c1ccccc1Br ZINC001466746871 1066291142 /nfs/dbraw/zinc/29/11/42/1066291142.db2.gz ZYPNOMWQZMQLNT-IBGZPJMESA-N 0 0 391.309 3.844 20 10 GHCDRN O=C(NCc1cc(Cl)cc(Cl)c1[O-])Nc1cccc([C@H]2CCC(=O)N2)c1 ZINC001466857280 1066352592 /nfs/dbraw/zinc/35/25/92/1066352592.db2.gz CYDJRHDWFKJFQO-OAHLLOKOSA-N 0 0 394.258 3.972 20 10 GHCDRN CN(CCNC(=O)Nc1c(-c2ccccn2)nc2ccccn21)c1ccccc1 ZINC001466894394 1066374261 /nfs/dbraw/zinc/37/42/61/1066374261.db2.gz VAIGYGSMAYEEBL-UHFFFAOYSA-N 0 0 386.459 3.654 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccnc(N(C)C)c1 ZINC001467121843 1067083180 /nfs/dbraw/zinc/08/31/80/1067083180.db2.gz NOHVSQMSTTXNIT-UHFFFAOYSA-N 0 0 393.285 3.670 20 10 GHCDRN CC(C)(C)[C@H]1CCN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001473302323 1067229379 /nfs/dbraw/zinc/22/93/79/1067229379.db2.gz OMJZQNQYOLJEDM-HNNXBMFYSA-N 0 0 390.483 3.769 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)cc1 ZINC001357724536 1067245657 /nfs/dbraw/zinc/24/56/57/1067245657.db2.gz XYWRGEPQVNNVJX-GOSISDBHSA-N 0 0 397.494 3.650 20 10 GHCDRN Cc1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc(Cl)n1 ZINC001467365096 1067252669 /nfs/dbraw/zinc/25/26/69/1067252669.db2.gz IJYBOCNPAZDOSY-INIZCTEOSA-N 0 0 375.856 3.962 20 10 GHCDRN Cc1cc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc(Cl)n1 ZINC001467365098 1067252704 /nfs/dbraw/zinc/25/27/04/1067252704.db2.gz IJYBOCNPAZDOSY-MRXNPFEDSA-N 0 0 375.856 3.962 20 10 GHCDRN CN(C)c1ccc(CNC(=O)NCCCCCC(=O)OC(C)(C)C)cc1F ZINC001477652781 1078509419 /nfs/dbraw/zinc/50/94/19/1078509419.db2.gz NSGSCTWGMGWNDS-UHFFFAOYSA-N 0 0 381.492 3.593 20 10 GHCDRN C[C@@H](NC(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccccc1O ZINC001477665064 1078515515 /nfs/dbraw/zinc/51/55/15/1078515515.db2.gz CLSXDXBCBJLYFP-CABCVRRESA-N 0 0 377.485 3.542 20 10 GHCDRN Cc1c(=O)[nH]c2ccccc2c1C(=O)NCc1cccc(Br)c1O ZINC001467764077 1067458045 /nfs/dbraw/zinc/45/80/45/1067458045.db2.gz ODQFRMRKAYOAJX-UHFFFAOYSA-N 0 0 387.233 3.647 20 10 GHCDRN CC(C)C[C@@]1(C)CCCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001468095474 1067593711 /nfs/dbraw/zinc/59/37/11/1067593711.db2.gz VCRPABVVPGNMBK-OAQYLSRUSA-N 0 0 377.504 3.773 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCc2ccc(C3(C)OCCO3)cc2)cc1 ZINC001468121855 1067603070 /nfs/dbraw/zinc/60/30/70/1067603070.db2.gz ZELMTCGQBBYVML-UHFFFAOYSA-N 0 0 397.519 3.752 20 10 GHCDRN CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000849232094 1067772219 /nfs/dbraw/zinc/77/22/19/1067772219.db2.gz QJACEHRIUWSIRD-APWZRJJASA-N 0 0 389.496 3.954 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)NCCCCCc3ccccc3)C2)cc1 ZINC001468568308 1067774568 /nfs/dbraw/zinc/77/45/68/1067774568.db2.gz XUNBLLMYWONXFM-HXUWFJFHSA-N 0 0 381.520 3.986 20 10 GHCDRN CCO[C@H]1C[C@H](NC(=O)NCc2ccc(N(CC)CC)c(F)c2)C12CCC2 ZINC001477846740 1078591580 /nfs/dbraw/zinc/59/15/80/1078591580.db2.gz OJXBKWUPPZCFLT-OALUTQOASA-N 0 0 377.504 3.819 20 10 GHCDRN Cc1coc(-c2ccc(C)c(S(=O)(=O)N(C)Cc3ccc(N(C)C)cc3)c2)n1 ZINC000849368928 1067824025 /nfs/dbraw/zinc/82/40/25/1067824025.db2.gz JPZDBPOXAASIDI-UHFFFAOYSA-N 0 0 399.516 3.845 20 10 GHCDRN C[C@H](NC(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccccc1O ZINC001468753267 1067860922 /nfs/dbraw/zinc/86/09/22/1067860922.db2.gz XQVXKFJYURJRFJ-UONOGXRCSA-N 0 0 391.418 3.633 20 10 GHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@H](CF)C1 ZINC001469105984 1067980402 /nfs/dbraw/zinc/98/04/02/1067980402.db2.gz HOFKVOIYNNQVGA-HUUCEWRRSA-N 0 0 385.430 3.648 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(Oc2ccnc(Cl)n2)cc1 ZINC001469113101 1067983069 /nfs/dbraw/zinc/98/30/69/1067983069.db2.gz NPYMUXHTLNOYGV-KRXBUXKQSA-N 0 0 383.791 3.985 20 10 GHCDRN Cc1cc(C(=O)COc2c(C)c(C)ncc2[N+](=O)[O-])c(C)n1-c1ccc(F)cn1 ZINC000849907739 1067994209 /nfs/dbraw/zinc/99/42/09/1067994209.db2.gz HCAMYCLNOQSIFQ-UHFFFAOYSA-N 0 0 398.394 3.810 20 10 GHCDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(Br)c1O ZINC000765209560 1068111046 /nfs/dbraw/zinc/11/10/46/1068111046.db2.gz APGYJMRNBLSBKO-UHFFFAOYSA-N 0 0 380.198 3.693 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)c1ccc([N+](=O)[O-])cc1Cl ZINC000765771277 1068121790 /nfs/dbraw/zinc/12/17/90/1068121790.db2.gz YTJDINSTWJOGPL-UHFFFAOYSA-N 0 0 385.601 3.646 20 10 GHCDRN Cc1nn(CN2CCCc3cc(OC(F)F)ccc32)c2ncc([N+](=O)[O-])cc12 ZINC000766350739 1068152518 /nfs/dbraw/zinc/15/25/18/1068152518.db2.gz HOYLZIDLMNBKGS-UHFFFAOYSA-N 0 0 389.362 3.660 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@H](C)Oc1cccc(F)c1 ZINC001478034028 1078683749 /nfs/dbraw/zinc/68/37/49/1078683749.db2.gz YVNKCRCUYRHGMN-IRXDYDNUSA-N 0 0 387.499 3.898 20 10 GHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H]1CCCC[C@@H]1F ZINC001478054710 1078693367 /nfs/dbraw/zinc/69/33/67/1078693367.db2.gz VBPQHYARPUGOCU-XOKHGSTOSA-N 0 0 385.430 3.837 20 10 GHCDRN Cc1cc(C(=O)NC2(CC(=O)OC(C)(C)C)CCC2)c(C)n1-c1ccccn1 ZINC001469773494 1068378160 /nfs/dbraw/zinc/37/81/60/1068378160.db2.gz GLNWYWZKKFUFNN-UHFFFAOYSA-N 0 0 383.492 3.873 20 10 GHCDRN COc1ccc(N2CCN(C(=O)N[C@@H]3CCC(C)(C)C[C@H]3C)CC2)cc1F ZINC001478104294 1078719005 /nfs/dbraw/zinc/71/90/05/1078719005.db2.gz XCLLBOUWFVHFKH-CRAIPNDOSA-N 0 0 377.504 3.881 20 10 GHCDRN C[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)C1(CO)CC1 ZINC001469960095 1068489902 /nfs/dbraw/zinc/48/99/02/1068489902.db2.gz OIONTBMVJKHUNL-LSDHHAIUSA-N 0 0 379.932 3.537 20 10 GHCDRN O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N[C@H]1CC=CCC1 ZINC001360799746 1068635653 /nfs/dbraw/zinc/63/56/53/1068635653.db2.gz MDOZASVTVPVGFH-JORMNFRLSA-N 0 0 390.505 3.642 20 10 GHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(Cl)ncc1F ZINC001361063039 1068758215 /nfs/dbraw/zinc/75/82/15/1068758215.db2.gz KAIRKCDLWNWISP-LLVKDONJSA-N 0 0 399.800 3.874 20 10 GHCDRN COC(=O)/C=C/c1ccc(OCCN2CCCc3cc(OC)cc(OC)c32)cc1 ZINC001460245974 1068882431 /nfs/dbraw/zinc/88/24/31/1068882431.db2.gz CDDNLTQGHMJSIP-DHZHZOJOSA-N 0 0 397.471 3.722 20 10 GHCDRN O=C(NCCOCc1ccc(Cl)cc1Cl)NCc1c(O)cccc1F ZINC001478341670 1078823040 /nfs/dbraw/zinc/82/30/40/1078823040.db2.gz LAWXRVHRJNDNKF-UHFFFAOYSA-N 0 0 387.238 3.854 20 10 GHCDRN CCN(C)c1ccc(CN2CCn3c(Cc4ccccc4Cl)nnc3C2)cc1 ZINC001460797609 1069186427 /nfs/dbraw/zinc/18/64/27/1069186427.db2.gz ZUSDJIBKWJKDML-UHFFFAOYSA-N 0 0 395.938 3.994 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)NCCC3Cc4ccccc4C3)C2)cc1 ZINC001478427065 1078864804 /nfs/dbraw/zinc/86/48/04/1078864804.db2.gz POCAOJFOMIUYIA-LJQANCHMSA-N 0 0 393.531 3.626 20 10 GHCDRN CC[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC001478528617 1078906156 /nfs/dbraw/zinc/90/61/56/1078906156.db2.gz QLTUCKXCPRPZAU-BJZITVGISA-N 0 0 379.932 3.943 20 10 GHCDRN COCCC[C@H](Cc1ccccc1)NC(=O)NCc1cccc(Cl)c1O ZINC001478577663 1078922893 /nfs/dbraw/zinc/92/28/93/1078922893.db2.gz JDFQQUWGORYOHU-QGZVFWFLSA-N 0 0 376.884 3.883 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N3CCc4cccc(Cl)c4C3)C2)cc1 ZINC001470593596 1072639672 /nfs/dbraw/zinc/63/96/72/1072639672.db2.gz NJTMFGKTNQYKKQ-MRXNPFEDSA-N 0 0 399.922 3.943 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N[C@@H](C)c3ccc(OC)c(C)c3)C2)cc1 ZINC001470592797 1072639824 /nfs/dbraw/zinc/63/98/24/1072639824.db2.gz HJWHNZJUABYAQD-ZWKOTPCHSA-N 0 0 397.519 3.899 20 10 GHCDRN CC[C@@H](NC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C)[C@H](O)C(F)(F)F ZINC001471034619 1072894436 /nfs/dbraw/zinc/89/44/36/1072894436.db2.gz NHJABOYKLIXCTK-MSOLQXFVSA-N 0 0 397.441 3.904 20 10 GHCDRN C[C@H](NC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1ccccc1O ZINC001471194200 1072961892 /nfs/dbraw/zinc/96/18/92/1072961892.db2.gz FQTFPUILMWMEAE-INIZCTEOSA-N 0 0 395.480 3.857 20 10 GHCDRN CCC1(NC(=O)OC(C)(C)C)CCN(C(=O)NCc2cc(C)ccc2O)CC1 ZINC001471213825 1072968857 /nfs/dbraw/zinc/96/88/57/1072968857.db2.gz XAXIKTWLBJRXRV-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/89/28/57/867892857.db2.gz JYNLBVMBDKTAJO-UHFFFAOYSA-N 0 0 386.448 3.619 20 10 GHCDRN COC(=O)COc1ccc(N(C)Cc2ccc(OCc3ccncc3)cc2)cc1 ZINC000183796561 867940800 /nfs/dbraw/zinc/94/08/00/867940800.db2.gz VPZFLQJBEVALQT-UHFFFAOYSA-N 0 0 392.455 3.849 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCC[C@H](O)C2)c(C)n1-c1ccc(Br)cc1 ZINC000920477377 882145155 /nfs/dbraw/zinc/14/51/55/882145155.db2.gz KAHALPWSADXTPR-RDJZCZTQSA-N 0 0 391.309 3.890 20 10 GHCDRN CC(C)Oc1ccc(NCc2cc(Br)ccc2O)cc1C(N)=O ZINC000793375807 882138954 /nfs/dbraw/zinc/13/89/54/882138954.db2.gz AYQSNVXPHVTSOF-UHFFFAOYSA-N 0 0 379.254 3.653 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000553798838 868207136 /nfs/dbraw/zinc/20/71/36/868207136.db2.gz VPXLTLHUOSVVGL-UHFFFAOYSA-N 0 0 395.488 3.940 20 10 GHCDRN O=C(NCCc1ccsc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743533156 868250664 /nfs/dbraw/zinc/25/06/64/868250664.db2.gz GUVHXHXXBRRIKO-HNNXBMFYSA-N 0 0 395.475 3.860 20 10 GHCDRN Cc1ccccc1[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CCO1 ZINC000743551385 868257083 /nfs/dbraw/zinc/25/70/83/868257083.db2.gz CJBYJTMVTSZZDA-QFIPXVFZSA-N 0 0 379.504 3.878 20 10 GHCDRN C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000743559297 868265319 /nfs/dbraw/zinc/26/53/19/868265319.db2.gz GTWHHOBVKXPCIQ-VGSWGCGISA-N 0 0 397.494 3.955 20 10 GHCDRN Cc1ccc(O[C@H](C)CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000743565224 868270460 /nfs/dbraw/zinc/27/04/60/868270460.db2.gz UVDCUADICDJWQR-RTBURBONSA-N 0 0 397.519 3.659 20 10 GHCDRN C[C@H](NC(=O)N1Cc2ccccc2C[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000743564511 868270774 /nfs/dbraw/zinc/27/07/74/868270774.db2.gz MWCWWRKAOWTVIX-MSOLQXFVSA-N 0 0 379.504 3.741 20 10 GHCDRN C[C@H](NC(=O)N1CC[C@H](Cc2ccccc2)C1)c1ccc(N2CCOCC2)cc1 ZINC000743565859 868293334 /nfs/dbraw/zinc/29/33/34/868293334.db2.gz YQYWZNZCWIAQRY-PZJWPPBQSA-N 0 0 393.531 3.858 20 10 GHCDRN CN(Cc1ccco1)Cc1ccccc1CNC(=O)NCc1ccccc1O ZINC000743630540 868327003 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CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743716731 868382452 /nfs/dbraw/zinc/38/24/52/868382452.db2.gz WSXWFBILTAMYOK-MRXNPFEDSA-N 0 0 388.508 3.677 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1sc(N2CCCC2)nc1Cl ZINC000743719708 868384280 /nfs/dbraw/zinc/38/42/80/868384280.db2.gz PHADRGANDKSKDR-UHFFFAOYSA-N 0 0 391.924 3.911 20 10 GHCDRN CC[C@](C)(O)CNC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000743760994 868399051 /nfs/dbraw/zinc/39/90/51/868399051.db2.gz SLYUKPUUFSYWCD-SFHVURJKSA-N 0 0 379.298 3.747 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1nc(C)ncc1Cl ZINC000743809381 868425392 /nfs/dbraw/zinc/42/53/92/868425392.db2.gz ROISUTHEOKSDNZ-UHFFFAOYSA-N 0 0 384.661 3.569 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)COCCc1ccccc1 ZINC000743809208 868426783 /nfs/dbraw/zinc/42/67/83/868426783.db2.gz NXHMFNNEIOKMGP-UHFFFAOYSA-N 0 0 392.293 3.763 20 10 GHCDRN CCCn1ccc2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)cc21 ZINC000743915097 868482569 /nfs/dbraw/zinc/48/25/69/868482569.db2.gz ZHOFLYANYDXPEF-UHFFFAOYSA-N 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COc1ccc(N2CCCN(C(=O)NCc3c(F)cccc3Cl)CC2)cc1 ZINC000746222327 870129028 /nfs/dbraw/zinc/12/90/28/870129028.db2.gz DEXZAJGZPIQLPW-UHFFFAOYSA-N 0 0 391.874 3.910 20 10 GHCDRN Cc1cn(C)c(CC(=O)N(C)c2ccccc2)c1C(=O)N(C)c1ccccc1 ZINC000193886293 870497366 /nfs/dbraw/zinc/49/73/66/870497366.db2.gz JSNDWKBYBMYSME-UHFFFAOYSA-N 0 0 375.472 3.816 20 10 GHCDRN CC[C@H](C)N(CC)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC000857634070 882414538 /nfs/dbraw/zinc/41/45/38/882414538.db2.gz BUHRQXFNOWDVIN-LBPRGKRZSA-N 0 0 380.400 3.631 20 10 GHCDRN O=C(NCc1cc2ccccc2cc1O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC001192698632 870605352 /nfs/dbraw/zinc/60/53/52/870605352.db2.gz ZWPRXUURKCCVDV-UHFFFAOYSA-N 0 0 395.434 3.843 20 10 GHCDRN Cc1cc(C(=O)Nc2ccc(NC(=O)Nc3ccc(N)cc3)cc2)nc(Cl)n1 ZINC001192820984 870696008 /nfs/dbraw/zinc/69/60/08/870696008.db2.gz HHGXRGVDAKAVQB-UHFFFAOYSA-N 0 0 396.838 3.917 20 10 GHCDRN C[C@@H](NC(=O)c1cccc([C@H]2CCCOC2)c1)c1ccc(N2CCOCC2)cc1 ZINC000766404626 870704426 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CCN(CC(=O)N(C)Cc1c(F)cccc1Cl)c1ccc(OC)c(OC)c1 ZINC000921060982 882556372 /nfs/dbraw/zinc/55/63/72/882556372.db2.gz HQUKBQSSVJPTKB-UHFFFAOYSA-N 0 0 394.874 3.981 20 10 GHCDRN COc1ccc(N(CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C(C)C)cc1F ZINC000101567413 872107751 /nfs/dbraw/zinc/10/77/51/872107751.db2.gz HOGALEZXNWYLMT-GOSISDBHSA-N 0 0 399.510 3.692 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(COc2ccccc2F)on1 ZINC000767076633 872233014 /nfs/dbraw/zinc/23/30/14/872233014.db2.gz KAKVEVDVEVUNEM-UHFFFAOYSA-N 0 0 383.423 3.697 20 10 GHCDRN NC(=O)C1CCN(c2cccc(NC(=O)c3cccc4ccsc43)c2)CC1 ZINC000767094211 872262797 /nfs/dbraw/zinc/26/27/97/872262797.db2.gz ZFTPZNLRQKWOPU-UHFFFAOYSA-N 0 0 379.485 3.855 20 10 GHCDRN Cc1nc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cs1 ZINC000767131166 872287082 /nfs/dbraw/zinc/28/70/82/872287082.db2.gz KYXKTHVTODIRMS-RYUDHWBXSA-N 0 0 378.473 3.526 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@@](C)(O)C2)c(C)n1-c1ccccc1Br ZINC000767133224 872289708 /nfs/dbraw/zinc/28/97/08/872289708.db2.gz BTIWRANOZIKULQ-LJQANCHMSA-N 0 0 391.309 3.844 20 10 GHCDRN Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)n(C)n1 ZINC000767136956 872291613 /nfs/dbraw/zinc/29/16/13/872291613.db2.gz GWQUJSHSBCNDAB-HXUWFJFHSA-N 0 0 391.519 3.535 20 10 GHCDRN CCCC(=O)NC[C@@H]1CCCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000101876128 872333978 /nfs/dbraw/zinc/33/39/78/872333978.db2.gz BXMPRQFRHIFPQD-KRWDZBQOSA-N 0 0 387.549 3.924 20 10 GHCDRN C[C@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1cc(Br)cc(F)c1[O-] ZINC000857875507 882605154 /nfs/dbraw/zinc/60/51/54/882605154.db2.gz QSGIBDHIHHXXFA-QFYYESIMSA-N 0 0 393.256 3.658 20 10 GHCDRN C[C@@H]1CCC[C@H](CCNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000115705165 882620367 /nfs/dbraw/zinc/62/03/67/882620367.db2.gz BFHKSQNVIJXAOK-IAGOWNOFSA-N 0 0 391.531 3.802 20 10 GHCDRN O=C1c2ccccc2C(=O)c2c(NC(=S)NCc3ccccc3)ccc(O)c21 ZINC001195631576 872521209 /nfs/dbraw/zinc/52/12/09/872521209.db2.gz RSLSDSWKXLWDJA-UHFFFAOYSA-N 0 0 388.448 3.654 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC(CC(=O)N(C)C)CC1 ZINC000182594078 872577888 /nfs/dbraw/zinc/57/78/88/872577888.db2.gz NGYBQALGMIYVEJ-UHFFFAOYSA-N 0 0 381.520 3.733 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)N[C@H]3CCO[C@@H](C(C)(C)C)C3)CC2)cc1 ZINC000763570119 872615096 /nfs/dbraw/zinc/61/50/96/872615096.db2.gz FZUXACPIYGTTSQ-FXAWDEMLSA-N 0 0 389.540 3.511 20 10 GHCDRN COCc1noc(CN(Cc2ccc(C)s2)c2ccc3c(c2)OCCO3)n1 ZINC000182643523 872645102 /nfs/dbraw/zinc/64/51/02/872645102.db2.gz HCOHASGGFFVSHV-UHFFFAOYSA-N 0 0 387.461 3.564 20 10 GHCDRN O=C(COC(=O)C[C@@H]1COC(=O)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000767604659 872684709 /nfs/dbraw/zinc/68/47/09/872684709.db2.gz WOWXCWMUTBHJIS-CQSZACIVSA-N 0 0 381.388 3.537 20 10 GHCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000767710187 872775323 /nfs/dbraw/zinc/77/53/23/872775323.db2.gz DMKJZGDQFTUHNQ-JTQLQIEISA-N 0 0 377.765 3.543 20 10 GHCDRN C[C@H](Nc1cccc(N2CCCC2=O)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000182811735 872785250 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CC(=O)Nc1ccccc1CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000768029934 873036343 /nfs/dbraw/zinc/03/63/43/873036343.db2.gz HBSPDAKSZPNNJN-UHFFFAOYSA-N 0 0 378.428 3.715 20 10 GHCDRN Cc1cc(C(=O)N2C[C@@H](C)O[C@@]3(CCOC3)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000794311979 882685167 /nfs/dbraw/zinc/68/51/67/882685167.db2.gz UXXWOSWDNGAXNV-VFNWGFHPSA-N 0 0 388.895 3.768 20 10 GHCDRN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000768200653 873137881 /nfs/dbraw/zinc/13/78/81/873137881.db2.gz PMOZPJRWXNVUPC-LLVKDONJSA-N 0 0 389.418 3.988 20 10 GHCDRN Cc1cnc2c(c1)N(C(=O)c1ccccc1CCNC(=O)OC(C)(C)C)CCN2 ZINC000858001114 882702676 /nfs/dbraw/zinc/70/26/76/882702676.db2.gz QOHSNDDDCBTNGQ-UHFFFAOYSA-N 0 0 396.491 3.530 20 10 GHCDRN CCN1C(=O)/C(=C/c2c(Br)cc(OC)cc2OC)SC1=S ZINC000768481777 873322370 /nfs/dbraw/zinc/32/23/70/873322370.db2.gz AIRPICPNQOMVJY-GHXNOFRVSA-N 0 0 388.308 3.687 20 10 GHCDRN Cc1cc2c(cc1Br)N(Cc1cc3c(cc1O)OC[C@@H]3O)CCC2 ZINC000768464534 873330924 /nfs/dbraw/zinc/33/09/24/873330924.db2.gz AVZQSOQCVOPFQE-SFHVURJKSA-N 0 0 390.277 3.842 20 10 GHCDRN COc1ncc(Cl)c(NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 ZINC000768525617 873360113 /nfs/dbraw/zinc/36/01/13/873360113.db2.gz USKLTMVOUITXCD-UHFFFAOYSA-N 0 0 384.814 3.821 20 10 GHCDRN CC(C)(C)[C@H](NCc1ccc(N2CCOCC2)cc1)C(=O)OCc1ccccc1 ZINC000768528967 873360932 /nfs/dbraw/zinc/36/09/32/873360932.db2.gz NVZNIFVUCRKYEC-JOCHJYFZSA-N 0 0 396.531 3.771 20 10 GHCDRN C[C@@]1(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)CCO[C@@H]1C1CC1 ZINC000768528365 873362544 /nfs/dbraw/zinc/36/25/44/873362544.db2.gz JABRBBABZRDIFL-IRLDBZIGSA-N 0 0 384.476 3.902 20 10 GHCDRN COc1cc(C)c(S(=O)(=O)Nc2ccc(O)c(Br)c2)c(C)c1 ZINC001196877626 873423359 /nfs/dbraw/zinc/42/33/59/873423359.db2.gz IZHINKLZCGPDLU-UHFFFAOYSA-N 0 0 386.267 3.581 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCc1cn2c(n1)SCC2 ZINC000768647635 873466493 /nfs/dbraw/zinc/46/64/93/873466493.db2.gz LRFCUORWUFRVSU-UHFFFAOYSA-N 0 0 380.517 3.677 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2c(c1)nc(C(F)F)n2C 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ZINC000804930440 883495860 /nfs/dbraw/zinc/49/58/60/883495860.db2.gz HMVRGGJQMMURHC-GOSISDBHSA-N 0 0 398.507 3.618 20 10 GHCDRN C[C@@H](NC(=O)N1CCC=C(c2ccco2)C1)c1ccc(N2CCOCC2)cc1 ZINC000804988405 883506774 /nfs/dbraw/zinc/50/67/74/883506774.db2.gz BZYQRBVYHGVXQV-QGZVFWFLSA-N 0 0 381.476 3.676 20 10 GHCDRN C[C@@H](Cc1ccccc1F)NC(=O)NCc1cc(Br)ccc1O ZINC000804973137 883522426 /nfs/dbraw/zinc/52/24/26/883522426.db2.gz IHPVDROIBRSUPV-NSHDSACASA-N 0 0 381.245 3.724 20 10 GHCDRN C[C@H](Cc1ccccc1F)NC(=O)NCc1cc(Br)ccc1O ZINC000804973136 883522724 /nfs/dbraw/zinc/52/27/24/883522724.db2.gz IHPVDROIBRSUPV-LLVKDONJSA-N 0 0 381.245 3.724 20 10 GHCDRN COc1c(F)cc(F)cc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000761686924 883524667 /nfs/dbraw/zinc/52/46/67/883524667.db2.gz MBKKFTKYLWAXNS-OAHLLOKOSA-N 0 0 392.402 3.892 20 10 GHCDRN Cc1ccc2c(c1)CC[C@H]2NC(=O)NCc1cc(Br)ccc1O ZINC000804978446 883525681 /nfs/dbraw/zinc/52/56/81/883525681.db2.gz SURAIHVPQHDRLE-MRXNPFEDSA-N 0 0 375.266 3.950 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3ccc(-c4csnn4)cc3)CC2)cc1 ZINC000859096625 883586229 /nfs/dbraw/zinc/58/62/29/883586229.db2.gz GUEQIARJERUQMF-UHFFFAOYSA-N 0 0 394.500 3.613 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)NCC1(c2cccc(F)c2)CC1 ZINC000805143464 883622560 /nfs/dbraw/zinc/62/25/60/883622560.db2.gz IBPWBCNSRPKCTD-UHFFFAOYSA-N 0 0 393.256 3.825 20 10 GHCDRN CC[C@@H](C)[C@@H](C)N(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000175335696 883627531 /nfs/dbraw/zinc/62/75/31/883627531.db2.gz JZAJKIHGFVSJLT-HZPDHXFCSA-N 0 0 377.504 3.771 20 10 GHCDRN CO[C@@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCCCC1 ZINC001126658280 883665914 /nfs/dbraw/zinc/66/59/14/883665914.db2.gz REQULELELKBDCJ-QFBILLFUSA-N 0 0 396.478 3.968 20 10 GHCDRN C[C@H](NC(=O)NC1(c2ccc(F)cc2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000729601588 883671978 /nfs/dbraw/zinc/67/19/78/883671978.db2.gz GZMLSKHMFGKLRC-INIZCTEOSA-N 0 0 383.467 3.712 20 10 GHCDRN CC(C)[C@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)c1cccnc1 ZINC000175376873 883691839 /nfs/dbraw/zinc/69/18/39/883691839.db2.gz NIWZOHCHMDMIIL-NRFANRHFSA-N 0 0 398.576 3.874 20 10 GHCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cccc(-c3ccccc3)c2)c1 ZINC000805266825 883726707 /nfs/dbraw/zinc/72/67/07/883726707.db2.gz YZLQDKKFJQJROL-UHFFFAOYSA-N 0 0 382.441 3.683 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@]1(C)CCCS1 ZINC000153193539 883737751 /nfs/dbraw/zinc/73/77/51/883737751.db2.gz PEODKCQRDWZUOW-MRXNPFEDSA-N 0 0 387.343 3.972 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)N[C@H]1CCOc2c(F)cccc21 ZINC000805323254 883754282 /nfs/dbraw/zinc/75/42/82/883754282.db2.gz MZYVTUZZZRUYIN-AWEZNQCLSA-N 0 0 395.228 3.617 20 10 GHCDRN Cn1cc([C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c2ccc(F)cc2)cn1 ZINC000187520392 883798333 /nfs/dbraw/zinc/79/83/33/883798333.db2.gz DLIQJDRTUVTTGQ-KRWDZBQOSA-N 0 0 390.802 3.706 20 10 GHCDRN O=C(NCCCc1ccccc1F)NCc1cc(Br)ccc1O ZINC000805414182 883829991 /nfs/dbraw/zinc/82/99/91/883829991.db2.gz NUERSMDTOJTSIS-UHFFFAOYSA-N 0 0 381.245 3.726 20 10 GHCDRN O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1ccc2ncccc2c1 ZINC000747253702 883908500 /nfs/dbraw/zinc/90/85/00/883908500.db2.gz NASCLVJMTADXPF-UHFFFAOYSA-N 0 0 381.501 3.704 20 10 GHCDRN CCCN(CC)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000914510061 883908900 /nfs/dbraw/zinc/90/89/00/883908900.db2.gz ONCISCBOHYXSTI-WYMLVPIESA-N 0 0 382.576 3.988 20 10 GHCDRN CCOc1cccc(/C=C/C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000859734345 884022461 /nfs/dbraw/zinc/02/24/61/884022461.db2.gz QPNRILLMFGUCSP-VQHVLOKHSA-N 0 0 398.478 3.515 20 10 GHCDRN O=C([O-])[C@@]12CCC[C@H]1C[N@H+](Cc1ccc3c(c1)CCN3Cc1ccccc1)C2 ZINC000859816358 884085100 /nfs/dbraw/zinc/08/51/00/884085100.db2.gz ZWQLCWJMXVISFL-XUZZJYLKSA-N 0 0 376.500 3.936 20 10 GHCDRN CC(=O)NCC[C@@H]1CCCN(CC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000805824773 884135976 /nfs/dbraw/zinc/13/59/76/884135976.db2.gz FCWUAEBNZQHZLF-NRFANRHFSA-N 0 0 395.547 3.823 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H](C)Cc2ccncc2)cc1 ZINC000859908457 884169189 /nfs/dbraw/zinc/16/91/89/884169189.db2.gz JRCXYHQSYSVWPU-MRXNPFEDSA-N 0 0 375.472 3.592 20 10 GHCDRN Cc1ccccc1[C@@H](NC(=O)C(=O)NCCCSc1nccs1)C(C)C ZINC000805877720 884169150 /nfs/dbraw/zinc/16/91/50/884169150.db2.gz QJFQCFVQDDZUJU-INIZCTEOSA-N 0 0 391.562 3.563 20 10 GHCDRN CCOc1cccc(CCC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1 ZINC000859965644 884218324 /nfs/dbraw/zinc/21/83/24/884218324.db2.gz BKZWYZGOLRUFBR-UHFFFAOYSA-N 0 0 386.467 3.514 20 10 GHCDRN CC(C)Cn1ncc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1-c1ccccc1 ZINC000760492776 884223518 /nfs/dbraw/zinc/22/35/18/884223518.db2.gz SDSSDYMLPBRQLU-INIZCTEOSA-N 0 0 393.487 3.978 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cc3c(C)nn(C)c3nc2C)cc1 ZINC000914605709 884311600 /nfs/dbraw/zinc/31/16/00/884311600.db2.gz XBNHWVPHIKACQK-UHFFFAOYSA-N 0 0 379.508 3.704 20 10 GHCDRN Nc1ccc(CCNC(=O)N2CC[C@@H](c3cccc(Br)c3)C2)cc1 ZINC000841955539 884312621 /nfs/dbraw/zinc/31/26/21/884312621.db2.gz GCFUDXYGGHCVOL-MRXNPFEDSA-N 0 0 388.309 3.773 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)c2cccc(C(F)F)c2F)cc1 ZINC000860112379 884339377 /nfs/dbraw/zinc/33/93/77/884339377.db2.gz VXLCJIFDQMHHSB-UHFFFAOYSA-N 0 0 394.393 3.645 20 10 GHCDRN Cc1ccc(N2C[C@@H](C(=O)N(C)Cc3ccc(N(C)C)cc3)CCC2=O)cc1C ZINC000760247093 884340153 /nfs/dbraw/zinc/34/01/53/884340153.db2.gz BSBKKBYNVRVPMD-FQEVSTJZSA-N 0 0 393.531 3.771 20 10 GHCDRN Cc1cc(C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)c(C)n1-c1ccccn1 ZINC000914613635 884350461 /nfs/dbraw/zinc/35/04/61/884350461.db2.gz RZVBXEKVJKNHBA-UHFFFAOYSA-N 0 0 389.455 3.773 20 10 GHCDRN Cc1cc(C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)c(C)n1-c1ccccn1 ZINC000914614082 884352951 /nfs/dbraw/zinc/35/29/51/884352951.db2.gz RSULLZRGRKRBQT-NRFANRHFSA-N 0 0 389.455 3.666 20 10 GHCDRN CC[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806149605 884408298 /nfs/dbraw/zinc/40/82/98/884408298.db2.gz GLJPDICZHPWNKD-OAHLLOKOSA-N 0 0 380.337 3.955 20 10 GHCDRN COC(=O)c1cccc(NC(=O)NCc2cc(Br)ccc2O)c1C ZINC000806206625 884447148 /nfs/dbraw/zinc/44/71/48/884447148.db2.gz RSOBSQJKODCGCF-UHFFFAOYSA-N 0 0 393.237 3.571 20 10 GHCDRN CC(C)(C)c1csc(CCNC(=O)NCCCSc2nccs2)n1 ZINC000153298535 884473732 /nfs/dbraw/zinc/47/37/32/884473732.db2.gz MVSZXCJQFYZNHL-UHFFFAOYSA-N 0 0 384.596 3.921 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC1CCN(CC(F)F)CC1 ZINC000064256285 884474113 /nfs/dbraw/zinc/47/41/13/884474113.db2.gz QOCZLHNCPFDFCZ-UHFFFAOYSA-N 0 0 394.510 3.548 20 10 GHCDRN CCc1nc(CNC(=O)N(CC)Cc2cc(Br)ccc2O)cs1 ZINC000174796464 884580515 /nfs/dbraw/zinc/58/05/15/884580515.db2.gz ZJMSOQXENSTCJZ-UHFFFAOYSA-N 0 0 398.326 3.905 20 10 GHCDRN CCOCCC1(CNC(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)CC1 ZINC000860351713 884583730 /nfs/dbraw/zinc/58/37/30/884583730.db2.gz QMBUWMAZSYWAAP-UHFFFAOYSA-N 0 0 382.504 3.772 20 10 GHCDRN CCOC(=O)c1coc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 ZINC000842026683 884597932 /nfs/dbraw/zinc/59/79/32/884597932.db2.gz IGIFETDLXVWUPA-UHFFFAOYSA-N 0 0 381.379 3.534 20 10 GHCDRN Cc1c(NC(=O)NCc2cc(Br)ccc2O)cnn1CC(C)C 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10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCCc1c(C)nn(C)c1C ZINC000860597974 884838419 /nfs/dbraw/zinc/83/84/19/884838419.db2.gz JIQSEQWQIBQWCN-UHFFFAOYSA-N 0 0 392.503 3.620 20 10 GHCDRN CCCOc1cccc(CC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000153378853 884873125 /nfs/dbraw/zinc/87/31/25/884873125.db2.gz AOHNUTSVKORMLD-GOSISDBHSA-N 0 0 382.504 3.732 20 10 GHCDRN COCCc1ccnc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000806660599 884874443 /nfs/dbraw/zinc/87/44/43/884874443.db2.gz IDLYKSIGQHWDDT-UHFFFAOYSA-N 0 0 382.508 3.829 20 10 GHCDRN CN1CCCc2cc(CNC(=O)N3CCCN(c4ccccc4F)CC3)ccc21 ZINC000806634535 884887489 /nfs/dbraw/zinc/88/74/89/884887489.db2.gz JICLILRXWUQUAI-UHFFFAOYSA-N 0 0 396.510 3.630 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c(C)n1-c1ccccn1 ZINC000914846949 884930706 /nfs/dbraw/zinc/93/07/06/884930706.db2.gz DNCLCVKDEYEMSD-INIZCTEOSA-N 0 0 386.459 3.561 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCCC[C@@H]2c2nc(C)no2)cc1F ZINC000806772691 884965952 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O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(Cl)c(F)c1 ZINC000047550600 902139374 /nfs/dbraw/zinc/13/93/74/902139374.db2.gz VNXPCOJQYZSLDE-UHFFFAOYSA-N 0 0 395.837 3.901 20 10 GHCDRN C[C@]1(CCNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C[C@]1(F)Cl ZINC000845419252 902166213 /nfs/dbraw/zinc/16/62/13/902166213.db2.gz QTHQLEPHCWSMKX-ZYSHUDEJSA-N 0 0 384.879 3.788 20 10 GHCDRN C[C@H]1CC[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC000303301171 914602886 /nfs/dbraw/zinc/60/28/86/914602886.db2.gz CTNSMUDFLZMSHW-KOMQPUFPSA-N 0 0 399.457 3.920 20 10 GHCDRN O=C(CCc1ccccc1O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001144514110 902315971 /nfs/dbraw/zinc/31/59/71/902315971.db2.gz NDFTZECIXGTFQE-UHFFFAOYSA-N 0 0 394.393 3.572 20 10 GHCDRN C[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Cl)cc1 ZINC000845671603 902323440 /nfs/dbraw/zinc/32/34/40/902323440.db2.gz KKYSQFQNOUYSKT-CQSZACIVSA-N 0 0 390.886 3.860 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000127984073 902589274 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GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NC1CC(c2ccccc2)C1 ZINC000264013946 902771217 /nfs/dbraw/zinc/77/12/17/902771217.db2.gz JXDHQEUEOMAKLO-UHFFFAOYSA-N 0 0 393.531 3.641 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC1CC(c2ccccc2)C1 ZINC000264079900 902830552 /nfs/dbraw/zinc/83/05/52/902830552.db2.gz ZWYRXBKKISMWQF-UHFFFAOYSA-N 0 0 379.504 3.611 20 10 GHCDRN C[C@@H](NC(=O)C(=O)NCCCSc1nccs1)c1cccc2ccccc21 ZINC000775038470 914678892 /nfs/dbraw/zinc/67/88/92/914678892.db2.gz OWQMKXVHZRZUTB-CQSZACIVSA-N 0 0 399.541 3.772 20 10 GHCDRN CC(C)(C)n1ncc(C(=O)NCc2cc(Cl)ccc2O)c1C(F)(F)F ZINC000846471904 903000409 /nfs/dbraw/zinc/00/04/09/903000409.db2.gz CXWMQRMKXFOAGV-UHFFFAOYSA-N 0 0 375.778 3.946 20 10 GHCDRN CC(C)(C)OC(=O)[C@@](C)(CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000846489995 903020464 /nfs/dbraw/zinc/02/04/64/903020464.db2.gz RAMUMQOEIRADBO-BLSBEMRDSA-N 0 0 397.471 3.527 20 10 GHCDRN CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)c2ccccc21 ZINC000846556975 903041793 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CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(C(C)(C)C)c3)c2)CC1 ZINC000846984150 903364918 /nfs/dbraw/zinc/36/49/18/903364918.db2.gz YBDAIXVYDDOOAO-UHFFFAOYSA-N 0 0 379.504 3.905 20 10 GHCDRN Cc1cc(CC(=O)N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c(C)n1-c1ccccc1 ZINC000847007633 903390842 /nfs/dbraw/zinc/39/08/42/903390842.db2.gz CLIYLTNRUNQMSO-IMWIBFENSA-N 0 0 396.531 3.822 20 10 GHCDRN CCN(CC)C(=O)c1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000133551821 903391759 /nfs/dbraw/zinc/39/17/59/903391759.db2.gz GYHREMRDKNFCCU-UHFFFAOYSA-N 0 0 392.503 3.867 20 10 GHCDRN Cc1cc(Br)cc([C@@H](C)Nc2ccc3c(c2)n(C)c(=O)n3C)c1O ZINC000779039918 903400884 /nfs/dbraw/zinc/40/08/84/903400884.db2.gz GRQDEYNSKWQGGZ-LLVKDONJSA-N 0 0 390.281 3.827 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC000133929808 903444435 /nfs/dbraw/zinc/44/44/35/903444435.db2.gz JBOPXQKNOILFBO-UHFFFAOYSA-N 0 0 382.460 3.962 20 10 GHCDRN O=C(NCc1cc(Cl)ccc1O)c1cnnn1-c1c(Cl)cccc1Cl ZINC001146232556 903482214 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C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000774512898 911863518 /nfs/dbraw/zinc/86/35/18/911863518.db2.gz ONSPMLGURMFYFP-RDBSUJKOSA-N 0 0 379.457 3.739 20 10 GHCDRN CCOc1ccccc1CCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000248378954 912028868 /nfs/dbraw/zinc/02/88/68/912028868.db2.gz LDQOCRPQNWDVGC-HXUWFJFHSA-N 0 0 383.488 3.931 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2ccnc(F)c2F)c(C)n1-c1ccc(F)cc1 ZINC000795667397 912190913 /nfs/dbraw/zinc/19/09/13/912190913.db2.gz JCUAQNWNDLBTFM-UHFFFAOYSA-N 0 0 388.345 3.946 20 10 GHCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)[C@H]1C[C@@H]1C(=O)c1ccccc1 ZINC001187225142 915134183 /nfs/dbraw/zinc/13/41/83/915134183.db2.gz HLTGOEYZAVMOKE-HOTGVXAUSA-N 0 0 380.831 3.729 20 10 GHCDRN COCCCCc1cccnc1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000291401434 915158891 /nfs/dbraw/zinc/15/88/91/915158891.db2.gz FABWAZBBSKUUND-FMIVXFBMSA-N 0 0 395.503 3.539 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(N2CCOCC2)c1C ZINC001187481665 915305149 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Cn1c(Br)ccc1C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001191613752 918099939 /nfs/dbraw/zinc/09/99/39/918099939.db2.gz XBJJSNZGTLLTKT-UHFFFAOYSA-N 0 0 394.656 3.625 20 10 GHCDRN CS(=O)(=O)c1cccc(CN2CCCc3cc(OC(F)(F)F)ccc32)c1 ZINC001191712665 918135484 /nfs/dbraw/zinc/13/54/84/918135484.db2.gz ZWTMBEJOSXGCBK-UHFFFAOYSA-N 0 0 385.407 3.942 20 10 GHCDRN Cc1ccnc2ccc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc12 ZINC000796547996 918147808 /nfs/dbraw/zinc/14/78/08/918147808.db2.gz WNELVHXELUVHPI-UHFFFAOYSA-N 0 0 389.499 3.682 20 10 GHCDRN COc1ccc(N2CCN(C[C@@H](O)c3ccc(Cl)cc3Cl)CC2)cc1F ZINC001192108015 918413930 /nfs/dbraw/zinc/41/39/30/918413930.db2.gz OEOJDGOXXWGPEN-GOSISDBHSA-N 0 0 399.293 3.997 20 10 GHCDRN CC[C@H](C)c1ccc(S(=O)(=O)N(C)CCN(C)c2ccc(OC)cc2)cc1 ZINC001192112230 918417171 /nfs/dbraw/zinc/41/71/71/918417171.db2.gz FOXOKZXIESKJGL-KRWDZBQOSA-N 0 0 390.549 3.966 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)NCCc3ncc(C)cc3C)ccc21 ZINC000654080394 918761769 /nfs/dbraw/zinc/76/17/69/918761769.db2.gz 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C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1nc(-c2ccc(Cl)cc2)no1 ZINC000369838134 923665052 /nfs/dbraw/zinc/66/50/52/923665052.db2.gz POTJHWSOJFJZSA-GFCCVEGCSA-N 0 0 386.839 3.998 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC(O[C@H]2CCOC2)CC1 ZINC000748583677 923727552 /nfs/dbraw/zinc/72/75/52/923727552.db2.gz BQUQHQQIKNIMPJ-FQEVSTJZSA-N 0 0 382.504 3.813 20 10 GHCDRN CCO[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCSCC3)cc2)C1(C)C ZINC000748615255 923744615 /nfs/dbraw/zinc/74/46/15/923744615.db2.gz OJSBDAAFCMJGJS-RTBURBONSA-N 0 0 391.581 3.585 20 10 GHCDRN COc1cccc(C(NC(=O)NCc2ccccc2O)c2cccc(OC)c2)c1 ZINC000748621677 923749768 /nfs/dbraw/zinc/74/97/68/923749768.db2.gz BLWIUPPVNXFVLU-UHFFFAOYSA-N 0 0 392.455 3.998 20 10 GHCDRN Cc1cc(C(=O)N2CSC[C@@H]2C(=O)N2CCCC2)c(C)n1-c1ccccc1C ZINC000748743005 923810440 /nfs/dbraw/zinc/81/04/40/923810440.db2.gz NKGYRXARZBZGKI-HXUWFJFHSA-N 0 0 397.544 3.540 20 10 GHCDRN Cc1cc(C(=O)CN2CCC(O[C@@H]3CCOC3)CC2)c(C)n1-c1ccc(C)cc1 ZINC000748832823 923853981 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C=C1c2ccccc2C(=O)N1CC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000010341484 924068233 /nfs/dbraw/zinc/06/82/33/924068233.db2.gz AGYLYKPXZULTFZ-UHFFFAOYSA-N 0 0 399.494 3.880 20 10 GHCDRN Cc1ccc(CCC(=O)NCC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1 ZINC000749176937 924098509 /nfs/dbraw/zinc/09/85/09/924098509.db2.gz AVILRSHNZCIJQB-UHFFFAOYSA-N 0 0 395.547 3.547 20 10 GHCDRN C[C@@H](NC(=O)N1CCC(C)(C(=O)OC(C)(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000826946175 924406151 /nfs/dbraw/zinc/40/61/51/924406151.db2.gz KZSWNFLYRQWJID-MRXNPFEDSA-N 0 0 389.540 3.967 20 10 GHCDRN O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N(Cc1ccccc1O)C1CCCCC1 ZINC000371430254 924577698 /nfs/dbraw/zinc/57/76/98/924577698.db2.gz ARNUNFMDWSDDPE-XMSQKQJNSA-N 0 0 388.508 3.575 20 10 GHCDRN Cc1cc(C(=O)NC[C@@H](O)COc2ccccc2)c(C)n1-c1cccc(Cl)c1 ZINC001137400384 925387088 /nfs/dbraw/zinc/38/70/88/925387088.db2.gz SXENAOVBQCJDJG-LJQANCHMSA-N 0 0 398.890 3.917 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)Nc2c[nH]nc2-c2ccccn2)c1 ZINC001137428314 925664569 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C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)c1nc(C(C)(C)C)no1 ZINC000751931127 928487884 /nfs/dbraw/zinc/48/78/84/928487884.db2.gz MKZOCFOHYDULDZ-NSHDSACASA-N 0 0 386.477 3.915 20 10 GHCDRN CC(C)(C)OC(=O)CCCOC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000751931162 928487912 /nfs/dbraw/zinc/48/79/12/928487912.db2.gz OGCVXLYVAFHQHR-UHFFFAOYSA-N 0 0 376.478 3.595 20 10 GHCDRN CCc1ccc(CC)c(NC(=O)C(=O)NCCCSc2nccs2)c1 ZINC000752136489 928633882 /nfs/dbraw/zinc/63/38/82/928633882.db2.gz KNNLSCFDHJJSJZ-UHFFFAOYSA-N 0 0 377.535 3.505 20 10 GHCDRN COC(=O)[C@]1(F)CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000752308683 928746747 /nfs/dbraw/zinc/74/67/47/928746747.db2.gz ZAXDGHVGMZGAQV-FQEVSTJZSA-N 0 0 384.411 3.628 20 10 GHCDRN CC[C@H](NC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCOCC1 ZINC000752618840 928930899 /nfs/dbraw/zinc/93/08/99/928930899.db2.gz SXVRDARMJDKVIF-IBGZPJMESA-N 0 0 395.463 3.861 20 10 GHCDRN COC(=O)c1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c[nH]1 ZINC000753140186 929225487 /nfs/dbraw/zinc/22/54/87/929225487.db2.gz 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COc1ccc(N2CCN(C(=O)CCc3ccc([C@H]4C[C@@H]4C)o3)CC2)cc1F ZINC000753742074 929511915 /nfs/dbraw/zinc/51/19/15/929511915.db2.gz MNAAJSUOCHVMFG-YJBOKZPZSA-N 0 0 386.467 3.832 20 10 GHCDRN COc1ccc(N2CCN(C(=O)CCc3ccc([C@H]4C[C@H]4C)o3)CC2)cc1F ZINC000753742070 929511950 /nfs/dbraw/zinc/51/19/50/929511950.db2.gz MNAAJSUOCHVMFG-QAPCUYQASA-N 0 0 386.467 3.832 20 10 GHCDRN COc1ccc(N2CCN(C[C@H](O)c3ccccc3C(F)(F)F)CC2)cc1F ZINC000753856965 929565084 /nfs/dbraw/zinc/56/50/84/929565084.db2.gz KOXGCKNEPABRIX-SFHVURJKSA-N 0 0 398.400 3.709 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 ZINC000467925619 929598785 /nfs/dbraw/zinc/59/87/85/929598785.db2.gz AFVGKIXXXMVOMB-UHFFFAOYSA-N 0 0 378.476 3.819 20 10 GHCDRN CCOc1ccc(NC(=S)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1 ZINC000753960083 929611838 /nfs/dbraw/zinc/61/18/38/929611838.db2.gz CPCBMCDHLGUPCM-UHFFFAOYSA-N 0 0 389.496 3.752 20 10 GHCDRN Cc1nc(C)c(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1 ZINC000757239553 929680303 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Cc1cc(Br)c([O-])c(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000781631087 930915961 /nfs/dbraw/zinc/91/59/61/930915961.db2.gz GXUHTLXBQOEHAC-OAHLLOKOSA-N 0 0 389.293 3.638 20 10 GHCDRN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781905393 931020878 /nfs/dbraw/zinc/02/08/78/931020878.db2.gz OBGMEIPANBODOX-LSDHHAIUSA-N 0 0 397.357 3.980 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c1 ZINC000781911703 931024811 /nfs/dbraw/zinc/02/48/11/931024811.db2.gz OLSFTNFFJBKOEA-GOSISDBHSA-N 0 0 376.294 3.945 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[N@@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)c1 ZINC000781913537 931025581 /nfs/dbraw/zinc/02/55/81/931025581.db2.gz QWVAGFIEXUXJNR-QGZVFWFLSA-N 0 0 389.293 3.700 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccc(OC3COC3)cc2)cc1F ZINC000782094548 931088608 /nfs/dbraw/zinc/08/86/08/931088608.db2.gz MGEZGTUAOXFNQA-UHFFFAOYSA-N 0 0 387.455 3.771 20 10 GHCDRN C[C@H](NC(=O)C(=O)Nc1cccc(C(C)(F)F)c1)c1ccc(N(C)C)cc1 ZINC000782124866 931095683 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CSc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cn1 ZINC000782895706 931360475 /nfs/dbraw/zinc/36/04/75/931360475.db2.gz HIVVTDPHTVOUCG-UHFFFAOYSA-N 0 0 399.516 3.809 20 10 GHCDRN C[C@@H](Oc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cn1)c1ccccc1 ZINC000782964397 931375955 /nfs/dbraw/zinc/37/59/55/931375955.db2.gz VBOPSKAWMBFHOV-CQSZACIVSA-N 0 0 393.395 3.673 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc2ccncc21 ZINC000783315734 931517696 /nfs/dbraw/zinc/51/76/96/931517696.db2.gz HZRGICXGUDUSMD-UHFFFAOYSA-N 0 0 390.487 3.677 20 10 GHCDRN Oc1ccccc1CN(Cc1ncc(Br)s1)C[C@@H]1CCCO1 ZINC000783381708 931530416 /nfs/dbraw/zinc/53/04/16/931530416.db2.gz QLUOTUJIKUQKLF-ZDUSSCGKSA-N 0 0 383.311 3.792 20 10 GHCDRN COc1ccc(N2CCN(C(=O)CSCc3cc(F)cc(F)c3)CC2)cc1 ZINC000783583820 931588243 /nfs/dbraw/zinc/58/82/43/931588243.db2.gz XZRINAQGZBFNPC-UHFFFAOYSA-N 0 0 392.471 3.555 20 10 GHCDRN CCC(CC)NC(=O)[C@@H]1CN(C(=O)/C=C/c2cnccc2C)c2ccccc2O1 ZINC000783944862 931726986 /nfs/dbraw/zinc/72/69/86/931726986.db2.gz OKUCVHDRFTVMPC-ZJVMWOEPSA-N 0 0 393.487 3.502 20 10 GHCDRN O=C(c1ccccc1)c1ccc(O)c(C[NH+]2CCC([C@@H]3CCOC3)CC2)c1[O-] ZINC000784006577 931752049 /nfs/dbraw/zinc/75/20/49/931752049.db2.gz ZTLOYFAGYKHFFS-GOSISDBHSA-N 0 0 381.472 3.577 20 10 GHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccnc1C1CC1 ZINC000784047340 931766390 /nfs/dbraw/zinc/76/63/90/931766390.db2.gz MORIQIFHLDYRIN-OAHLLOKOSA-N 0 0 387.430 3.959 20 10 GHCDRN Cc1cc2c(cc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1)OCO2 ZINC000784057888 931769826 /nfs/dbraw/zinc/76/98/26/931769826.db2.gz GPIKOLOYTANBNL-UHFFFAOYSA-N 0 0 395.459 3.610 20 10 GHCDRN COc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1F ZINC000784060092 931770795 /nfs/dbraw/zinc/77/07/95/931770795.db2.gz VUYZQBGBSKDUNN-UHFFFAOYSA-N 0 0 385.439 3.721 20 10 GHCDRN Nc1ccc(N(C(=O)C(=O)Nc2scnc2C2CC2)C2CCCCC2)cc1 ZINC000784062947 931771239 /nfs/dbraw/zinc/77/12/39/931771239.db2.gz XQCGKAPACNKKGE-UHFFFAOYSA-N 0 0 384.505 3.907 20 10 GHCDRN Nc1ccc(N(CC2CCCC2)C(=O)C(=O)N2CCCc3ccc(F)cc32)cc1 ZINC000784109807 931786714 /nfs/dbraw/zinc/78/67/14/931786714.db2.gz YHWVIINKZHVSMG-UHFFFAOYSA-N 0 0 395.478 3.911 20 10 GHCDRN CC(C)CCn1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)n1 ZINC000784112725 931787633 /nfs/dbraw/zinc/78/76/33/931787633.db2.gz ODGRHWVUAHAVLV-UHFFFAOYSA-N 0 0 397.523 3.673 20 10 GHCDRN CCC1(C(=O)N[C@@H](C)c2ccccc2O)CCN(C(=O)c2ccccc2)CC1 ZINC000827970093 931809991 /nfs/dbraw/zinc/80/99/91/931809991.db2.gz VZUVUXBOOZHOIJ-KRWDZBQOSA-N 0 0 380.488 3.902 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)N[C@H](c1ccccn1)C1CC1 ZINC000925563724 931824070 /nfs/dbraw/zinc/82/40/70/931824070.db2.gz OUKMAMWTQRGTOY-INIZCTEOSA-N 0 0 376.254 3.500 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)NC[C@@H](O)CCc3ccccc3)cc2)CC1 ZINC000784309724 931852120 /nfs/dbraw/zinc/85/21/20/931852120.db2.gz XNHVDLNRQOHOFE-QHCPKHFHSA-N 0 0 395.547 3.716 20 10 GHCDRN COC(=O)COc1ccc(N(C)Cc2ccc(SC(=O)N(C)C)cc2)cc1 ZINC000784553192 931933994 /nfs/dbraw/zinc/93/39/94/931933994.db2.gz CGNVQHIEUPMNCA-UHFFFAOYSA-N 0 0 388.489 3.649 20 10 GHCDRN CC[C@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000796686182 932030397 /nfs/dbraw/zinc/03/03/97/932030397.db2.gz YJJCSUVJYHOIKF-FQEVSTJZSA-N 0 0 385.483 3.675 20 10 GHCDRN COc1cccc(CNC(=O)C(=O)Nc2cc(-c3ccc(C)o3)ccc2C)c1O ZINC000796851943 932088977 /nfs/dbraw/zinc/08/89/77/932088977.db2.gz XQOMIYSGFJTNTD-UHFFFAOYSA-N 0 0 394.427 3.533 20 10 GHCDRN CN(CCC(=O)N(Cc1ccco1)Cc1ccccc1O)C(=O)OC(C)(C)C ZINC000797190968 932218916 /nfs/dbraw/zinc/21/89/16/932218916.db2.gz SJEIBVMPZRFFNY-UHFFFAOYSA-N 0 0 388.464 3.771 20 10 GHCDRN CC1=C[C@H](C)CN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000797444517 932287248 /nfs/dbraw/zinc/28/72/48/932287248.db2.gz CVHDUXXKSIQZBO-AWEZNQCLSA-N 0 0 379.451 3.864 20 10 GHCDRN COc1ccc(O)c(CNC(=O)NC2CC(F)(c3cccc(Cl)c3)C2)c1 ZINC000797458365 932291324 /nfs/dbraw/zinc/29/13/24/932291324.db2.gz GDGVLYXVDFEGSN-UHFFFAOYSA-N 0 0 378.831 3.881 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CO[C@@H]1CCCc2ccccc21 ZINC000797610144 932343292 /nfs/dbraw/zinc/34/32/92/932343292.db2.gz IKYLPLMPSXUEPB-HSZRJFAPSA-N 0 0 394.515 3.576 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000797615941 932345256 /nfs/dbraw/zinc/34/52/56/932345256.db2.gz QYPQSMWNHQXLJR-HNNXBMFYSA-N 0 0 393.443 3.825 20 10 GHCDRN COc1ccc(CNC(=O)Nc2cccc(C(=O)c3ccccc3)c2)c(O)c1 ZINC000797624210 932347751 /nfs/dbraw/zinc/34/77/51/932347751.db2.gz GTXUFCIPOGMSQU-UHFFFAOYSA-N 0 0 376.412 3.954 20 10 GHCDRN COc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(Br)c1 ZINC000797622422 932347853 /nfs/dbraw/zinc/34/78/53/932347853.db2.gz VCSWBJPTQMYMRT-JTQLQIEISA-N 0 0 395.253 3.622 20 10 GHCDRN Cc1ccc(Oc2ccc(NC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc2)nn1 ZINC000797629235 932349559 /nfs/dbraw/zinc/34/95/59/932349559.db2.gz QQPNYYHBVFCMKI-AWEZNQCLSA-N 0 0 394.431 3.741 20 10 GHCDRN Cc1ccnc(Oc2ccc(NC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc2)n1 ZINC000797633181 932350882 /nfs/dbraw/zinc/35/08/82/932350882.db2.gz GIVNWIBRWSQFMB-AWEZNQCLSA-N 0 0 394.431 3.741 20 10 GHCDRN COc1ccc(CNC(=O)Nc2cc(F)c(Br)cc2F)c(O)c1 ZINC000797637631 932352673 /nfs/dbraw/zinc/35/26/73/932352673.db2.gz DPIKEDWXFCMCIH-UHFFFAOYSA-N 0 0 387.180 3.763 20 10 GHCDRN COc1ccc([C@@H](NC(=O)NCc2ccc(OC)cc2O)C(F)(F)F)cc1 ZINC000797646728 932355121 /nfs/dbraw/zinc/35/51/21/932355121.db2.gz IRQVZMMSRODSJR-MRXNPFEDSA-N 0 0 384.354 3.512 20 10 GHCDRN CCc1c(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cnn1-c1ccccc1C ZINC000797650806 932356175 /nfs/dbraw/zinc/35/61/75/932356175.db2.gz XPCGALMTWFPCLK-HNNXBMFYSA-N 0 0 394.475 3.907 20 10 GHCDRN CC(C)Oc1ccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1C(N)=O ZINC000797677808 932365792 /nfs/dbraw/zinc/36/57/92/932365792.db2.gz YNOYIKSPMWPGTI-AWEZNQCLSA-N 0 0 384.480 3.521 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000797694645 932371484 /nfs/dbraw/zinc/37/14/84/932371484.db2.gz CQVNAZWXRDRYIS-FIKGOQFSSA-N 0 0 388.533 3.954 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000797694647 932371724 /nfs/dbraw/zinc/37/17/24/932371724.db2.gz CQVNAZWXRDRYIS-WWMYMODYSA-N 0 0 388.533 3.954 20 10 GHCDRN CCc1noc([C@@H]2CC[C@@H](NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)C2)n1 ZINC000927345607 932510459 /nfs/dbraw/zinc/51/04/59/932510459.db2.gz JUBNIRKFCKGRPB-IAGOWNOFSA-N 0 0 397.523 3.708 20 10 GHCDRN C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000798180582 932553428 /nfs/dbraw/zinc/55/34/28/932553428.db2.gz JAKDVNIXHKEZNC-GFCCVEGCSA-N 0 0 382.382 3.959 20 10 GHCDRN CC1(C)C[C@H](CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C(C)(C)O1 ZINC000927618795 932623134 /nfs/dbraw/zinc/62/31/34/932623134.db2.gz MUWXFWBJEYUORS-MSOLQXFVSA-N 0 0 390.524 3.677 20 10 GHCDRN CCC[C@H](NC(=O)C(=O)NCc1c(C)c2ccccc2n1C)c1ccccc1 ZINC000559437992 932675779 /nfs/dbraw/zinc/67/57/79/932675779.db2.gz YEBBWVSVFOGENQ-IBGZPJMESA-N 0 0 377.488 3.761 20 10 GHCDRN Cc1ccc([C@H](C)Nc2cnc(N3CCOCC3)c(Br)c2)c(O)c1 ZINC000798941479 932827814 /nfs/dbraw/zinc/82/78/14/932827814.db2.gz YWYGKVSKQQQZNY-ZDUSSCGKSA-N 0 0 392.297 3.868 20 10 GHCDRN CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NCc1cccc(OCC)c1O ZINC000798960180 932841653 /nfs/dbraw/zinc/84/16/53/932841653.db2.gz STPZROCVGUCHJP-QGZVFWFLSA-N 0 0 377.868 3.708 20 10 GHCDRN CNC(=O)c1c(C)[nH]nc1NC(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C ZINC000799104525 932879786 /nfs/dbraw/zinc/87/97/86/932879786.db2.gz WATIFJDZJLCEFW-UHFFFAOYSA-N 0 0 393.491 3.861 20 10 GHCDRN CNC(=O)c1c(C)[nH]nc1NC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C ZINC000799103268 932879847 /nfs/dbraw/zinc/87/98/47/932879847.db2.gz HTWXLMCLPQTVHF-UHFFFAOYSA-N 0 0 393.491 3.861 20 10 GHCDRN COc1ncc(CN(Cc2cccs2)c2ccc3c(c2)OCCO3)c(C)n1 ZINC000799133681 932885300 /nfs/dbraw/zinc/88/53/00/932885300.db2.gz OUVLKOCBZPPPIJ-UHFFFAOYSA-N 0 0 383.473 3.833 20 10 GHCDRN COc1cc([N+](=O)[O-])c(N2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)cc1OC ZINC000799325228 932950489 /nfs/dbraw/zinc/95/04/89/932950489.db2.gz FOLFSPRSLLRZAC-CKNLXJGOSA-N 0 0 376.453 3.786 20 10 GHCDRN COc1ccc2occ(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c2c1 ZINC000799709254 933097383 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10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@]4(CCOC4)C3)cc2Cl)C1 ZINC000799995517 933207332 /nfs/dbraw/zinc/20/73/32/933207332.db2.gz MNPDXZUIFFHTLL-IERDGZPVSA-N 0 0 391.943 3.898 20 10 GHCDRN CCN(Cc1ccccc1F)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC001115918218 933244510 /nfs/dbraw/zinc/24/45/10/933244510.db2.gz DSNFZDIGJIWCLG-KRWDZBQOSA-N 0 0 385.483 3.955 20 10 GHCDRN C[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc(F)c(F)c1 ZINC001116126117 933349206 /nfs/dbraw/zinc/34/92/06/933349206.db2.gz KVYOBOLWZDNMRX-CQSZACIVSA-N 0 0 376.472 3.938 20 10 GHCDRN COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001116131385 933352584 /nfs/dbraw/zinc/35/25/84/933352584.db2.gz OZGIJPLAQQGUKT-MOPGFXCFSA-N 0 0 388.895 3.748 20 10 GHCDRN Cc1cc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c(C)n1-c1cccc(C)c1 ZINC000777774574 933363255 /nfs/dbraw/zinc/36/32/55/933363255.db2.gz QKDVUDPWZKCZNW-UHFFFAOYSA-N 0 0 390.443 3.904 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3csc(-c4ccco4)n3)CC2)cc1F ZINC001116237803 933427819 /nfs/dbraw/zinc/42/78/19/933427819.db2.gz QSKAWTOMNMCEQR-UHFFFAOYSA-N 0 0 387.436 3.513 20 10 GHCDRN COc1cccc(CNC(=O)N[C@@H](C)c2ccc(F)cc2OC(F)F)c1O ZINC001116433578 933555886 /nfs/dbraw/zinc/55/58/86/933555886.db2.gz DXVNODVHJRRDMB-JTQLQIEISA-N 0 0 384.354 3.702 20 10 GHCDRN Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)N1Cc2cccc(O)c2C1 ZINC000929729264 933597707 /nfs/dbraw/zinc/59/77/07/933597707.db2.gz BAJVBHXGLDITAB-UHFFFAOYSA-N 0 0 393.365 3.540 20 10 GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000777828201 933622452 /nfs/dbraw/zinc/62/24/52/933622452.db2.gz JLSGEXGKYIHKQB-CYBMUJFWSA-N 0 0 393.842 3.880 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cnn(Cc2cccnc2)c1 ZINC001116717878 933719633 /nfs/dbraw/zinc/71/96/33/933719633.db2.gz QSIJPUXATXFFPB-UHFFFAOYSA-N 0 0 392.507 3.835 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)NCc1cccc(Cl)c1F ZINC001116775698 933748371 /nfs/dbraw/zinc/74/83/71/933748371.db2.gz HNUHKRJQCIJUJE-UHFFFAOYSA-N 0 0 387.636 3.947 20 10 GHCDRN CCOc1cn(-c2ccccc2)nc1C(=O)Nc1c2nonc2ccc1Cl ZINC001117548994 933953974 /nfs/dbraw/zinc/95/39/74/933953974.db2.gz YPNFZKIHHOOHBK-UHFFFAOYSA-N 0 0 383.795 3.713 20 10 GHCDRN CN1CCCc2cc(CNC(=O)N3CC4(CCC4)[C@@H]3c3ccncc3)ccc21 ZINC001118532005 934187417 /nfs/dbraw/zinc/18/74/17/934187417.db2.gz NJLIEAADBMDOTC-NRFANRHFSA-N 0 0 376.504 3.901 20 10 GHCDRN Cc1cc(CCNC(=O)c2cnn3c2nc(C)cc3C)c(C)n1-c1ccccc1 ZINC001118904812 934278867 /nfs/dbraw/zinc/27/88/67/934278867.db2.gz NGLFFENHOBIMEY-UHFFFAOYSA-N 0 0 387.487 3.726 20 10 GHCDRN Oc1cccc(Br)c1CNc1cc(F)c(N2CCOCC2)cc1F ZINC001118909553 934281493 /nfs/dbraw/zinc/28/14/93/934281493.db2.gz UHQJRNCHBMZQEA-UHFFFAOYSA-N 0 0 399.235 3.882 20 10 GHCDRN CC(C)[C@@H]1C[C@H](C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1 ZINC000931582616 934628559 /nfs/dbraw/zinc/62/85/59/934628559.db2.gz XSFOVLLQVCPOHZ-BEFAXECRSA-N 0 0 396.478 3.824 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)C[C@H]3CNc4ccccc43)cc2F)C[C@@H](C)O1 ZINC001121991417 934799438 /nfs/dbraw/zinc/79/94/38/934799438.db2.gz QJXSMEXFAGUHGS-NUJGCVRESA-N 0 0 397.494 3.655 20 10 GHCDRN CCn1c(C2Sc3ncccc3C2=O)nnc1N1CCC[C@]2(CC2(F)F)C1 ZINC001122036125 934805372 /nfs/dbraw/zinc/80/53/72/934805372.db2.gz OJLICGWHJVNSJT-KRWDZBQOSA-N 0 0 391.447 3.906 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3oc(C4CC4)nc3C(F)F)CC2)cc1F ZINC001123754156 935277399 /nfs/dbraw/zinc/27/73/99/935277399.db2.gz HRIXETJGEYSAQC-UHFFFAOYSA-N 0 0 395.381 3.600 20 10 GHCDRN CS(=O)(=O)C1=S=C(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C=C1 ZINC001124109599 935343111 /nfs/dbraw/zinc/34/31/11/935343111.db2.gz YPJBRTYDGGXUHS-UHFFFAOYSA-N 0 0 385.470 3.690 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)c2cnc(Br)s2)C2CC2)cc1 ZINC001124905642 935488401 /nfs/dbraw/zinc/48/84/01/935488401.db2.gz RORDSAWGTMCPIH-UHFFFAOYSA-N 0 0 380.311 3.776 20 10 GHCDRN CSc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)co1 ZINC001125187941 935544996 /nfs/dbraw/zinc/54/49/96/935544996.db2.gz LNXQRXDCDXGUFR-BETUJISGSA-N 0 0 378.469 3.684 20 10 GHCDRN O=C(C[C@@H]1C[C@H]1C1CC1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC001125196131 935547082 /nfs/dbraw/zinc/54/70/82/935547082.db2.gz AZWSRLYSTISVEI-RDJZCZTQSA-N 0 0 382.426 3.594 20 10 GHCDRN CC1=C(C)C[C@](C)(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC001125256641 935559832 /nfs/dbraw/zinc/55/98/32/935559832.db2.gz BWZVZGJWSUXQFM-WMZHIEFXSA-N 0 0 383.536 3.531 20 10 GHCDRN CCC[C@H](CC(C)C)C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000828421741 935630121 /nfs/dbraw/zinc/63/01/21/935630121.db2.gz MUSPANQNUCPCDT-QGZVFWFLSA-N 0 0 392.540 3.823 20 10 GHCDRN C[C@H](NC(=O)c1ccnc2c1CCN2C(=O)OC(C)(C)C)c1ccccc1O ZINC000828540127 935656565 /nfs/dbraw/zinc/65/65/65/935656565.db2.gz YMKKHLXHSUUTFV-ZDUSSCGKSA-N 0 0 383.448 3.576 20 10 GHCDRN CN(C)c1ccc([C@@H](CNC(=O)C2CC3(CC3)C2)NC(=O)OC(C)(C)C)cc1 ZINC000828935948 935743390 /nfs/dbraw/zinc/74/33/90/935743390.db2.gz LIVKQXFHYYCDQT-GOSISDBHSA-N 0 0 387.524 3.625 20 10 GHCDRN CCn1nc(C)c(CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)n1 ZINC000828965524 935747815 /nfs/dbraw/zinc/74/78/15/935747815.db2.gz QLIHSJSQRNUACQ-QGZVFWFLSA-N 0 0 383.521 3.941 20 10 GHCDRN CCC(=O)N1CC[C@@H](C(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)C1 ZINC001137816643 935805640 /nfs/dbraw/zinc/80/56/40/935805640.db2.gz NANVCZXVOQQJIM-YLJYHZDGSA-N 0 0 380.488 3.741 20 10 GHCDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COCc2ccccn2)C1 ZINC001137836347 935815808 /nfs/dbraw/zinc/81/58/08/935815808.db2.gz ZLZDLMOHOOSARG-YADHBBJMSA-N 0 0 386.467 3.514 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(Cc2c(O)cccc2F)C[C@H]1C(F)(F)F ZINC001137841326 935818416 /nfs/dbraw/zinc/81/84/16/935818416.db2.gz AQNDXMNPUKXNRJ-AWEZNQCLSA-N 0 0 378.366 3.515 20 10 GHCDRN CCN(C(=O)CSc1ncc(C(=O)OC)s1)[C@H](C)c1ccc(F)cc1 ZINC000829683737 935844801 /nfs/dbraw/zinc/84/48/01/935844801.db2.gz BARWUQDSYVZAPN-LLVKDONJSA-N 0 0 382.482 3.771 20 10 GHCDRN COC(=O)c1cnc(SCC(=O)NC[C@H](c2ccccc2)C(C)C)s1 ZINC000829684493 935844884 /nfs/dbraw/zinc/84/48/84/935844884.db2.gz QJHHYJLIRJNVTQ-AWEZNQCLSA-N 0 0 378.519 3.578 20 10 GHCDRN O=C(Cc1ccc(O)c(O)c1)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001625860741 1014236548 /nfs/dbraw/zinc/23/65/48/1014236548.db2.gz LRCMOTZSTLAGGQ-GOSISDBHSA-N 0 0 383.341 3.756 20 10 GHCDRN C[C@H]1CNc2c(C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)cnn2C1 ZINC001625905132 1014357298 /nfs/dbraw/zinc/35/72/98/1014357298.db2.gz ISZADORTYYIHAQ-INIZCTEOSA-N 0 0 381.524 3.644 20 10 GHCDRN CN(C)c1ccc(C[N@H+](C)[C@@H](C(=O)[O-])c2cccc(Br)c2)cc1 ZINC001598317954 991310258 /nfs/dbraw/zinc/31/02/58/991310258.db2.gz SHHJPUFWTCJXPF-QGZVFWFLSA-N 0 0 377.282 3.773 20 10 GHCDRN COc1nsc(C[NH2+]CCc2cc(C)n(-c3ccccc3)c2C)c1C(=O)[O-] ZINC001599741243 991860291 /nfs/dbraw/zinc/86/02/91/991860291.db2.gz ARPXNAWTJRKESX-UHFFFAOYSA-N 0 0 385.489 3.590 20 10 GHCDRN CN(c1ccccc1)[C@H]1CC[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001598544218 992928494 /nfs/dbraw/zinc/92/84/94/992928494.db2.gz IWXKEGINUPJJKO-KRWDZBQOSA-N 0 0 381.451 3.726 20 10 GHCDRN COc1ccc2c(c1)n[nH]c2C(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001154474080 1032127624 /nfs/dbraw/zinc/12/76/24/1032127624.db2.gz NUZCRZUPMATQNC-FQEVSTJZSA-N 0 0 379.460 3.947 20 10 GHCDRN COc1ccc(O)c([C@H](C)[NH2+][C@@H](C(=O)[O-])c2ccccc2Br)c1 ZINC001599598224 993777371 /nfs/dbraw/zinc/77/73/71/993777371.db2.gz IRBZSKMSICEKHE-MGPLVRAMSA-N 0 0 380.238 3.640 20 10 GHCDRN COc1cccc(C[NH2+]Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)c1O ZINC001599674545 994874385 /nfs/dbraw/zinc/87/43/85/994874385.db2.gz RWRJFKHVKUUGGY-UHFFFAOYSA-N 0 0 393.439 3.968 20 10 GHCDRN Nc1ccc(CC(=O)NCc2ccc(Br)c(C(F)(F)F)c2)cc1 ZINC001220952658 1032205455 /nfs/dbraw/zinc/20/54/55/1032205455.db2.gz AAJHJIAAVFRDSQ-UHFFFAOYSA-N 0 0 387.199 3.909 20 10 GHCDRN COc1cc(O[C@@H]2CCCCC2=O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1 ZINC001227303321 1032362771 /nfs/dbraw/zinc/36/27/71/1032362771.db2.gz NHVHJFFYIBCKHO-GOSISDBHSA-N 0 0 396.395 3.770 20 10 GHCDRN O=C(c1cnc2cccc(Br)c2c1)N1CCc2cccc(O)c2C1 ZINC001155073518 1032401314 /nfs/dbraw/zinc/40/13/14/1032401314.db2.gz HHEVVHAAEXYQNK-UHFFFAOYSA-N 0 0 383.245 3.901 20 10 GHCDRN 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GHCDRN O=C(c1ccccc1)c1ccc(O)c(O)c1OC[C@@H]1CC[C@@]2(CCCCO2)O1 ZINC001227941575 1032706811 /nfs/dbraw/zinc/70/68/11/1032706811.db2.gz WLHQJQAHFAWAQC-KSFYIVLOSA-N 0 0 384.428 3.783 20 10 GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@H](C)c1ccccc1F ZINC000777829586 1017740395 /nfs/dbraw/zinc/74/03/95/1017740395.db2.gz XNDIJZGONJQIOT-ZDUSSCGKSA-N 0 0 393.842 3.880 20 10 GHCDRN COC(=O)[C@H](Oc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(F)c1 ZINC001228072808 1032764847 /nfs/dbraw/zinc/76/48/47/1032764847.db2.gz FYELSYLWSQQOGR-JOCHJYFZSA-N 0 0 390.366 3.894 20 10 GHCDRN O=C(N[C@@H]([C@@H]1CCOC1)C(F)(F)F)N(Cc1ccco1)Cc1ccccc1O ZINC000933019522 1018809042 /nfs/dbraw/zinc/80/90/42/1018809042.db2.gz CDLISXKIZKYSPM-PBHICJAKSA-N 0 0 398.381 3.664 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2ccncn2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000778451517 1019117767 /nfs/dbraw/zinc/11/77/67/1019117767.db2.gz GJGXOQQHVZPFKL-UHFFFAOYSA-N 0 0 387.798 3.716 20 10 GHCDRN C[C@H](CCC(C)(C)C)NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001228251460 1032865350 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GHCDRN COC(=O)C=Cc1ccc(N2CCC[C@H]2CC(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000779429669 1020769346 /nfs/dbraw/zinc/76/93/46/1020769346.db2.gz VTRGOEMIXRLIFH-VIHMKRCTSA-N 0 0 384.388 3.616 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000779476416 1020815780 /nfs/dbraw/zinc/81/57/80/1020815780.db2.gz QUEYUVYWBLULJH-YWEYNIOJSA-N 0 0 395.455 3.510 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Nc3ccnn3CCC(C)C)CC2)cc1 ZINC000779469917 1020819467 /nfs/dbraw/zinc/81/94/67/1020819467.db2.gz SLKOADOOZYZERP-UHFFFAOYSA-N 0 0 385.512 3.682 20 10 GHCDRN COC(=O)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(C(C)(C)C)cc1 ZINC000779519768 1020838258 /nfs/dbraw/zinc/83/82/58/1020838258.db2.gz MSJMWFKMRVFRCV-NORHQAJESA-N 0 0 397.471 3.829 20 10 GHCDRN COc1ccc([C@H](NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)C(F)(F)F)cc1 ZINC000194006881 1020958377 /nfs/dbraw/zinc/95/83/77/1020958377.db2.gz SGCUVOYXOWSMSX-DIFFPNOSSA-N 0 0 398.381 3.640 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cnc2[nH]ccc2c1 ZINC000834509637 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CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2c(O)cccc2Cl)CC1(F)F ZINC001140341559 1021451633 /nfs/dbraw/zinc/45/16/33/1021451633.db2.gz WDNYMOHRTXDAFX-CQSZACIVSA-N 0 0 376.831 3.780 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)NCC(=O)Nc1ccc(Cl)cc1 ZINC000802018287 1021465782 /nfs/dbraw/zinc/46/57/82/1021465782.db2.gz FKBHJMWBWNPXMU-UHFFFAOYSA-N 0 0 389.883 3.996 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCOC12CCOCC2)c1cc(Br)cc(Cl)c1[O-] ZINC000903388670 1021597891 /nfs/dbraw/zinc/59/78/91/1021597891.db2.gz HLBVBKJMEJQYKP-IINYFYTJSA-N 0 0 390.705 3.797 20 10 GHCDRN CC(C)C(=O)N1CC(OC2=CC(=NNc3ccc([N+](=O)[O-])cc3)C=CC2=O)C1 ZINC001228571289 1032991829 /nfs/dbraw/zinc/99/18/29/1032991829.db2.gz QZCFOURNQRXMKW-QZQOTICOSA-N 0 0 384.392 3.961 20 10 GHCDRN CCC1(C[NH2+][C@H](C)c2cc(Br)cc(Br)c2[O-])COC1 ZINC000834900238 1021648589 /nfs/dbraw/zinc/64/85/89/1021648589.db2.gz OIWHNPMUXBFMPM-SECBINFHSA-N 0 0 393.119 3.994 20 10 GHCDRN CN(C)c1ccc(/C=C/CN2CCOC[C@H]2c2noc(-c3ccccc3)n2)cc1 ZINC000835044288 1021804481 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/nfs/dbraw/zinc/37/41/19/1025374119.db2.gz ADRZURSQIKMSKY-UHFFFAOYSA-N 0 0 396.463 3.703 20 10 GHCDRN COCCN(Cc1cc(=O)[nH]c(-c2ccccc2)n1)c1ccc(OC)c(OC)c1 ZINC000838894074 1025424547 /nfs/dbraw/zinc/42/45/47/1025424547.db2.gz CPSJRILKQWDXDG-UHFFFAOYSA-N 0 0 395.459 3.519 20 10 GHCDRN Cc1cc(NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)ccc1F ZINC000838914807 1025439730 /nfs/dbraw/zinc/43/97/30/1025439730.db2.gz QTYUFVOCPYEKTI-UHFFFAOYSA-N 0 0 379.382 3.571 20 10 GHCDRN C[C@@H](NC(=O)c1cnn(C(C)(C)C)c1Br)c1ccc(N(C)C)cc1 ZINC000832435432 1025558548 /nfs/dbraw/zinc/55/85/48/1025558548.db2.gz BEUPHLXLLNKTNN-GFCCVEGCSA-N 0 0 393.329 3.958 20 10 GHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839144308 1025640020 /nfs/dbraw/zinc/64/00/20/1025640020.db2.gz HGRZGPSNDJETJT-UHFFFAOYSA-N 0 0 386.801 3.589 20 10 GHCDRN C[C@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000839227943 1025742233 /nfs/dbraw/zinc/74/22/33/1025742233.db2.gz DFAKBPHNRAMVDX-MRXNPFEDSA-N 0 0 393.487 3.677 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(Cl)cc1Cl ZINC001162540355 1025785588 /nfs/dbraw/zinc/78/55/88/1025785588.db2.gz VYUQXKZXQWSEEB-UHFFFAOYSA-N 0 0 382.243 3.905 20 10 GHCDRN O=C(NCc1ccc2cccnc2c1O)c1cc(=O)c2ccc(Cl)cc2o1 ZINC001162612394 1025829598 /nfs/dbraw/zinc/82/95/98/1025829598.db2.gz ISHUHNFQRMEPSJ-UHFFFAOYSA-N 0 0 380.787 3.630 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC001139130132 1025943506 /nfs/dbraw/zinc/94/35/06/1025943506.db2.gz RGVFUHAAWYPPFF-MRXNPFEDSA-N 0 0 396.462 3.825 20 10 GHCDRN Cc1cccc(OC2CC[NH+](Cc3c([O-])ccc4c(C)cc(=O)oc43)CC2)n1 ZINC001139133654 1025946229 /nfs/dbraw/zinc/94/62/29/1025946229.db2.gz KRUZOBABMHINNM-UHFFFAOYSA-N 0 0 380.444 3.554 20 10 GHCDRN Cc1ccnc(OC2CC[NH+](Cc3c([O-])ccc4c(C)cc(=O)oc43)CC2)c1 ZINC001139133621 1025946338 /nfs/dbraw/zinc/94/63/38/1025946338.db2.gz JPSKGPAZEAPTMD-UHFFFAOYSA-N 0 0 380.444 3.554 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001139134006 1025946545 /nfs/dbraw/zinc/94/65/45/1025946545.db2.gz VQTXWUWAXKRBLF-GHTZIAJQSA-N 0 0 390.483 3.513 20 10 GHCDRN CSc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccc1Cl ZINC000839516146 1025998303 /nfs/dbraw/zinc/99/83/03/1025998303.db2.gz FNJRPIZPJCMJIZ-GFCCVEGCSA-N 0 0 391.924 3.944 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCCC(=O)OC(C)(C)C)c1 ZINC001163062618 1026031195 /nfs/dbraw/zinc/03/11/95/1026031195.db2.gz RAQDDLCWBIWGRX-UHFFFAOYSA-N 0 0 384.476 3.758 20 10 GHCDRN CCOC1CC(O)(CNC(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)C1 ZINC001139263237 1026113762 /nfs/dbraw/zinc/11/37/62/1026113762.db2.gz UHASGGRZHUNBHC-UHFFFAOYSA-N 0 0 384.520 3.877 20 10 GHCDRN CCN(CCOc1ccccc1C)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC001163551551 1026232636 /nfs/dbraw/zinc/23/26/36/1026232636.db2.gz YBCJEWBGYOYRQL-BENRWUELSA-N 0 0 384.432 3.995 20 10 GHCDRN Cc1cc(C(C)(C)NC(=O)Cc2ccc(O)c(O)c2)ccc1Br ZINC001141687129 1026253704 /nfs/dbraw/zinc/25/37/04/1026253704.db2.gz JBYPPDYCTACKEN-UHFFFAOYSA-N 0 0 378.266 3.763 20 10 GHCDRN CCO[C@H](C)c1ncc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC000839918893 1026347654 /nfs/dbraw/zinc/34/76/54/1026347654.db2.gz OBPHRLJMSKAGKN-HUUCEWRRSA-N 0 0 375.538 3.976 20 10 GHCDRN Cc1onc(-c2cccnc2)c1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839921916 1026350220 /nfs/dbraw/zinc/35/02/20/1026350220.db2.gz OKEXXSSRPHYVIR-HNNXBMFYSA-N 0 0 378.476 3.780 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+]CCN(C(=O)OC(C)(C)C)C2CC2)c1 ZINC001461147101 1069413566 /nfs/dbraw/zinc/41/35/66/1069413566.db2.gz DSZGGJWPXWGGIU-UHFFFAOYSA-N 0 0 399.329 3.952 20 10 GHCDRN O=C(Cc1ccccc1)N1CCC[C@]2(CC[N@@H+](Cc3cc(F)ccc3O)C2)C1 ZINC001140054098 1026834074 /nfs/dbraw/zinc/83/40/74/1026834074.db2.gz JIJASTPQPUNTPQ-HSZRJFAPSA-N 0 0 382.479 3.589 20 10 GHCDRN Oc1ccc(F)cc1CN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001140060265 1026838893 /nfs/dbraw/zinc/83/88/93/1026838893.db2.gz SLCTXIMJEBPITR-UHFFFAOYSA-N 0 0 384.373 3.748 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(Cc2c(O)cccc2Br)CC12CC2 ZINC001140101262 1026880715 /nfs/dbraw/zinc/88/07/15/1026880715.db2.gz NOVIJAJRJDPCAP-UHFFFAOYSA-N 0 0 397.313 3.740 20 10 GHCDRN Oc1ccc(CN2CCN(c3ccc(OCc4cccnc4)cc3)CC2)c(F)c1 ZINC001140130130 1026906999 /nfs/dbraw/zinc/90/69/99/1026906999.db2.gz KGXHXOCFPMSEBH-UHFFFAOYSA-N 0 0 393.462 3.828 20 10 GHCDRN COC(=O)c1cnc(SC[C@@H](O)COc2c(Cl)cccc2Cl)s1 ZINC000834382721 1026962458 /nfs/dbraw/zinc/96/24/58/1026962458.db2.gz OXOGRDURZWFAOM-QMMMGPOBSA-N 0 0 394.301 3.769 20 10 GHCDRN CC(C)(C)[C@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000840261994 1027390383 /nfs/dbraw/zinc/39/03/83/1027390383.db2.gz BKKHEQRUZRPGGT-LEWJYISDSA-N 0 0 387.568 3.909 20 10 GHCDRN FC(F)Oc1ccc(N2CCC[C@H](Nc3nc(C4CCOCC4)no3)C2)cc1 ZINC000840266877 1027394147 /nfs/dbraw/zinc/39/41/47/1027394147.db2.gz ABFKYQYIABBHEB-AWEZNQCLSA-N 0 0 394.422 3.646 20 10 GHCDRN Cc1cc(Nc2ccc(N)cc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001203554633 1027432723 /nfs/dbraw/zinc/43/27/23/1027432723.db2.gz TZASVZPQWSAMFO-UHFFFAOYSA-N 0 0 383.496 3.773 20 10 GHCDRN COC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC001203564847 1027436390 /nfs/dbraw/zinc/43/63/90/1027436390.db2.gz QTRQLEAERZACJA-LBPRGKRZSA-N 0 0 393.119 3.918 20 10 GHCDRN COCC[N@H+](Cc1cc(Br)cc(Br)c1[O-])C(C)C ZINC001203567262 1027439360 /nfs/dbraw/zinc/43/93/60/1027439360.db2.gz MKGFHFFSSSRTHQ-UHFFFAOYSA-N 0 0 381.108 3.774 20 10 GHCDRN COc1cc(N(c2ccc(N)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)cn1 ZINC001210310601 1027440188 /nfs/dbraw/zinc/44/01/88/1027440188.db2.gz UZHUCIOGRNWDRS-UHFFFAOYSA-N 0 0 399.472 3.516 20 10 GHCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001203574991 1027442816 /nfs/dbraw/zinc/44/28/16/1027442816.db2.gz AJNVQKHRFCTYSL-GASCZTMLSA-N 0 0 378.303 3.658 20 10 GHCDRN NC(=O)c1ccc(O[C@H]2CCC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)cc1 ZINC001203585309 1027452426 /nfs/dbraw/zinc/45/24/26/1027452426.db2.gz GOBLSJVTZAKZJS-INIZCTEOSA-N 0 0 395.286 3.841 20 10 GHCDRN O=C1N(CC2CC2)CCC12CC[NH+](Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC001203586651 1027454415 /nfs/dbraw/zinc/45/44/15/1027454415.db2.gz SKBLAADSZOXRQC-UHFFFAOYSA-N 0 0 383.319 3.924 20 10 GHCDRN COc1ccc(C[N@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)c(O)c1 ZINC001203635356 1027494596 /nfs/dbraw/zinc/49/45/96/1027494596.db2.gz QSGAFQLAXMNFTR-UHFFFAOYSA-N 0 0 386.492 3.928 20 10 GHCDRN CCn1ncc2c1CN(Cc1cc(Cl)ccc1O)C[C@H]2COc1cccnc1 ZINC001203656105 1027511954 /nfs/dbraw/zinc/51/19/54/1027511954.db2.gz HXGMOZPREJQJFP-INIZCTEOSA-N 0 0 398.894 3.835 20 10 GHCDRN CCn1ncc2c1CN(Cc1cc(Cl)ccc1O)C[C@H]2COCC1CC1 ZINC001203656359 1027512189 /nfs/dbraw/zinc/51/21/89/1027512189.db2.gz OKEAIQJEOCXKTO-INIZCTEOSA-N 0 0 375.900 3.788 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC=C(c2ccncc2)C1 ZINC000840482916 1027566025 /nfs/dbraw/zinc/56/60/25/1027566025.db2.gz GOJCIECJUFANIX-SFHVURJKSA-N 0 0 378.520 3.886 20 10 GHCDRN CC(=O)c1ccc2c(c1)CN(C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C2 ZINC000840483117 1027566394 /nfs/dbraw/zinc/56/63/94/1027566394.db2.gz HRWDXKAUNFJIJH-INIZCTEOSA-N 0 0 379.504 3.920 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC(C2CCOCC2)CC1 ZINC000840482460 1027568019 /nfs/dbraw/zinc/56/80/19/1027568019.db2.gz XIHDWQWJOJLFHR-SFHVURJKSA-N 0 0 387.568 3.840 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000840486362 1027570333 /nfs/dbraw/zinc/57/03/33/1027570333.db2.gz ZNDUAHABLFZRIK-YYWHXJBOSA-N 0 0 385.552 3.735 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1nnc(C(F)(F)F)s1 ZINC000840487616 1027573801 /nfs/dbraw/zinc/57/38/01/1027573801.db2.gz GVIRKGUBKHSCPY-JTQLQIEISA-N 0 0 387.431 3.684 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(Cc2ccc(O)c(O)c2)C[C@H]1Cc1ccccc1 ZINC001203874877 1027675371 /nfs/dbraw/zinc/67/53/71/1027675371.db2.gz DUENQGSNTLIWPH-LJQANCHMSA-N 0 0 398.503 3.762 20 10 GHCDRN O=C(OCc1ccccc1)[C@@H]1Cc2ccccc2CN1Cc1ccc(O)c(O)c1 ZINC001203880387 1027677182 /nfs/dbraw/zinc/67/71/82/1027677182.db2.gz QRJSLCWSQCZKTC-NRFANRHFSA-N 0 0 389.451 3.768 20 10 GHCDRN CCOC(=O)c1ccc2c(c1)nc(/C(Cl)=C\c1c(C)nnn1CC)n2CC ZINC000840720797 1027760183 /nfs/dbraw/zinc/76/01/83/1027760183.db2.gz SDEHZYPDJWHYDH-SDNWHVSQSA-N 0 0 387.871 3.890 20 10 GHCDRN Fc1cc(CNC(=S)Nc2ccccc2Cl)cc(F)c1N1CCOCC1 ZINC000840841272 1027874221 /nfs/dbraw/zinc/87/42/21/1027874221.db2.gz HZOMEACCHMVRDD-UHFFFAOYSA-N 0 0 397.878 3.941 20 10 GHCDRN COCc1cc(O)ccc1NS(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000840915269 1027952201 /nfs/dbraw/zinc/95/22/01/1027952201.db2.gz NQPKATQWKYGAOI-UHFFFAOYSA-N 0 0 377.462 3.661 20 10 GHCDRN COc1cc([C@@H](C)NC(=O)C(=O)Nc2ccc(N)cc2)ccc1OCCC(C)C ZINC000841017872 1028043140 /nfs/dbraw/zinc/04/31/40/1028043140.db2.gz JNTCDMMFZKBJJR-OAHLLOKOSA-N 0 0 399.491 3.518 20 10 GHCDRN CN1CCN(c2ccc(CNc3cccc(OC[C@H]4CCCO4)c3)cc2F)CC1 ZINC001461321829 1069499229 /nfs/dbraw/zinc/49/92/29/1069499229.db2.gz SFJOKZUGWUMPGX-OAQYLSRUSA-N 0 0 399.510 3.747 20 10 GHCDRN Nc1ccc(NC(=O)C(=O)NCC2(c3ccc(F)cc3Cl)CCCC2)cc1 ZINC000841095811 1028124987 /nfs/dbraw/zinc/12/49/87/1028124987.db2.gz NTVUPWWTDNYYDC-UHFFFAOYSA-N 0 0 389.858 3.628 20 10 GHCDRN C/C=C\COc1cccc(CC(=O)N(C)CCN(C)c2ccc(OC)cc2)c1 ZINC001461333086 1069504898 /nfs/dbraw/zinc/50/48/98/1069504898.db2.gz AOXXZOOMIMDEOS-WAYWQWQTSA-N 0 0 382.504 3.787 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1SCCCS1 ZINC000841110943 1028151560 /nfs/dbraw/zinc/15/15/60/1028151560.db2.gz LJPMFBYYEOLVCO-UHFFFAOYSA-N 0 0 388.505 3.569 20 10 GHCDRN Nc1ccc(NC(=O)C(=O)NCC2(c3cccc(Cl)c3F)CCCC2)cc1 ZINC000841116852 1028161649 /nfs/dbraw/zinc/16/16/49/1028161649.db2.gz ZLXTUXALVBZWRP-UHFFFAOYSA-N 0 0 389.858 3.628 20 10 GHCDRN Cc1cc(CC(=O)Nc2cccc(O[C@H]3CC(=O)N3)c2)c(C)n1-c1ccccc1 ZINC001142119429 1028175657 /nfs/dbraw/zinc/17/56/57/1028175657.db2.gz REICAMBNSBYLFJ-QHCPKHFHSA-N 0 0 389.455 3.500 20 10 GHCDRN Cc1ccc(NC(=O)NCCc2ccc(N)cc2)c(-c2nc(C3CC3)no2)c1 ZINC000841133396 1028194981 /nfs/dbraw/zinc/19/49/81/1028194981.db2.gz BZEFXHKFBQINST-UHFFFAOYSA-N 0 0 377.448 3.869 20 10 GHCDRN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841297152 1028387007 /nfs/dbraw/zinc/38/70/07/1028387007.db2.gz AWIOQEGQVGDCQD-IIBYNOLFSA-N 0 0 381.524 3.737 20 10 GHCDRN COCCCN(C(=O)/C=C\c1cnc(C)s1)c1ccc(Br)cn1 ZINC000841348636 1028470073 /nfs/dbraw/zinc/47/00/73/1028470073.db2.gz IAQYCFCCOICVMV-ALCCZGGFSA-N 0 0 396.310 3.692 20 10 GHCDRN Nc1ccc2c(c1Nc1cc(F)c(CO)c(F)c1)C(=O)c1ccccc1C2=O ZINC001214037240 1028517964 /nfs/dbraw/zinc/51/79/64/1028517964.db2.gz QHRXIHFTOSXQNN-UHFFFAOYSA-N 0 0 380.350 3.558 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1(C(F)(F)F)CCCC1 ZINC000841394006 1028560436 /nfs/dbraw/zinc/56/04/36/1028560436.db2.gz JHUHZPFGJAMVJA-UHFFFAOYSA-N 0 0 384.442 3.634 20 10 GHCDRN Cc1cc(C(=O)NCC(C)(C)C2(O)CCOCC2)c(C)n1-c1ccc(F)cc1 ZINC000841458781 1028663341 /nfs/dbraw/zinc/66/33/41/1028663341.db2.gz MKRYHMWSXPAPEI-UHFFFAOYSA-N 0 0 388.483 3.531 20 10 GHCDRN Cn1ncc(/C=C2/SC(=S)N([C@@H]3CCc4ccccc4C3)C2=O)c1Cl ZINC000841496947 1028696144 /nfs/dbraw/zinc/69/61/44/1028696144.db2.gz DXFGXLXVFWISTH-UWZYDCLUSA-N 0 0 389.933 3.832 20 10 GHCDRN CCOc1cc(/C=C2\SC(=S)N(C3CC3)C2=O)ccc1OC(=O)CC ZINC000841497833 1028698346 /nfs/dbraw/zinc/69/83/46/1028698346.db2.gz YXPJYDBTMNRXEY-GDNBJRDFSA-N 0 0 377.487 3.764 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3cnn(C4CCCC4)c3C)CC2)cc1 ZINC000179568046 1028788785 /nfs/dbraw/zinc/78/87/85/1028788785.db2.gz MZVHFDJIIVJGRV-UHFFFAOYSA-N 0 0 382.508 3.668 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)Nc2ccccc2I)c1 ZINC001214584629 1028806239 /nfs/dbraw/zinc/80/62/39/1028806239.db2.gz KVVPCMVEAVKZQV-UHFFFAOYSA-N 0 0 382.201 3.627 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cc(-c2cccc(O)c2)on1 ZINC001142418366 1028861792 /nfs/dbraw/zinc/86/17/92/1028861792.db2.gz DCHSFPJKSIAEBV-HNNXBMFYSA-N 0 0 379.460 3.783 20 10 GHCDRN C[C@@H](Cc1cccc(Br)c1)NC(=O)NCCc1ccc(N)cc1 ZINC000841739841 1028903399 /nfs/dbraw/zinc/90/33/99/1028903399.db2.gz NZYJXEBOTSKFQG-ZDUSSCGKSA-N 0 0 376.298 3.504 20 10 GHCDRN Nc1ccc(CCNC(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)cc1 ZINC000841757863 1028916067 /nfs/dbraw/zinc/91/60/67/1028916067.db2.gz BITVEZBRYOCDLI-SFHVURJKSA-N 0 0 375.419 3.790 20 10 GHCDRN CCOC(=O)c1snnc1-c1nc(-c2cc(F)cc(C(F)(F)F)c2)no1 ZINC001214859809 1028941625 /nfs/dbraw/zinc/94/16/25/1028941625.db2.gz YJELNRWYLZDZPU-UHFFFAOYSA-N 0 0 388.302 3.590 20 10 GHCDRN CCOC(=O)c1snnc1-c1nc(-c2ccc(F)cc2C(F)(F)F)no1 ZINC001214859385 1028941921 /nfs/dbraw/zinc/94/19/21/1028941921.db2.gz DVGADJAMDNCXHI-UHFFFAOYSA-N 0 0 388.302 3.590 20 10 GHCDRN O=C([O-])[C@H](CC1CCCC1)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841803762 1028951519 /nfs/dbraw/zinc/95/15/19/1028951519.db2.gz MUFYNARPEILEGN-KRWDZBQOSA-N 0 0 375.469 3.708 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2ccc(-n3nccn3)cc2)cc1 ZINC001142489373 1028991623 /nfs/dbraw/zinc/99/16/23/1028991623.db2.gz VXPHCJHVKXZBQA-UHFFFAOYSA-N 0 0 399.454 3.669 20 10 GHCDRN O=C1N(c2ccsc2)CC[C@@]12CCC[N@@H+](Cc1cc(F)c(F)cc1[O-])C2 ZINC001142521089 1029024590 /nfs/dbraw/zinc/02/45/90/1029024590.db2.gz XIWZXNIVVBQIRV-LJQANCHMSA-N 0 0 378.444 3.751 20 10 GHCDRN COC(=O)c1ccc(OC2CC[NH+](Cc3cc(F)c(F)cc3[O-])CC2)cc1 ZINC001142524593 1029030063 /nfs/dbraw/zinc/03/00/63/1029030063.db2.gz CJABUVLZKURRRP-UHFFFAOYSA-N 0 0 377.387 3.500 20 10 GHCDRN Oc1cc(F)c(F)cc1CN1CCN(c2cccc(Br)c2)CC1 ZINC001142524541 1029030171 /nfs/dbraw/zinc/03/01/71/1029030171.db2.gz AOOUMPICYGZQGP-UHFFFAOYSA-N 0 0 383.236 3.755 20 10 GHCDRN Oc1cccc(-c2nc(-c3ccc(OC4COC4)c(C(F)(F)F)c3)no2)c1O ZINC001215145671 1029059176 /nfs/dbraw/zinc/05/91/76/1029059176.db2.gz BIAOYQZEHMRVGJ-UHFFFAOYSA-N 0 0 394.305 3.611 20 10 GHCDRN Oc1ccc(-c2nc(-c3cc(F)cc(Br)c3F)no2)c(O)c1O ZINC001215325285 1029153646 /nfs/dbraw/zinc/15/36/46/1029153646.db2.gz KBROKDFXIRPYNJ-UHFFFAOYSA-N 0 0 385.120 3.561 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNc1ccc(C)c(S(=O)(=O)NC2CC2)c1 ZINC001461490290 1069574959 /nfs/dbraw/zinc/57/49/59/1069574959.db2.gz JOCIJYYWGILDBH-UHFFFAOYSA-N 0 0 383.517 3.848 20 10 GHCDRN CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)CCc1ccc(N)cc1 ZINC001215688665 1029349812 /nfs/dbraw/zinc/34/98/12/1029349812.db2.gz 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JMNRGDGXTCSGLL-UHFFFAOYSA-N 0 0 395.377 3.593 20 10 GHCDRN Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@H+](Cc2ccc(C(=O)[O-])cc2O)C3)c1 ZINC001231449502 1034594736 /nfs/dbraw/zinc/59/47/36/1034594736.db2.gz IMRNYXJQILNPJJ-OFNKIYASSA-N 0 0 396.487 3.613 20 10 GHCDRN COCc1cnc2n1CCN(Cc1ccc(OCc3ccccc3)cc1O)[C@H]2C ZINC001231466788 1034612249 /nfs/dbraw/zinc/61/22/49/1034612249.db2.gz FHUINYFZDBTBSI-KRWDZBQOSA-N 0 0 393.487 3.891 20 10 GHCDRN COc1ccc(Br)c(CN(C)Cc2cccc(OC)c2OC)c1O ZINC001231557470 1034710359 /nfs/dbraw/zinc/71/03/59/1034710359.db2.gz SEDFXJQTHAWKJF-UHFFFAOYSA-N 0 0 396.281 3.813 20 10 GHCDRN O=C([O-])c1ccc(O)c(C[N@@H+]2CCC[C@@H](OCc3ccc(Cl)cc3)C2)c1 ZINC001231563951 1034713475 /nfs/dbraw/zinc/71/34/75/1034713475.db2.gz MIRSVMPAWUCZGM-GOSISDBHSA-N 0 0 375.852 3.925 20 10 GHCDRN Oc1ccc2ccccc2c1C[N@@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001231588998 1034744100 /nfs/dbraw/zinc/74/41/00/1034744100.db2.gz UXSSCLSWNMKSLV-XXBNENTESA-N 0 0 376.456 3.753 20 10 GHCDRN O=C1c2cccc(F)c2CN1[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001231589798 1034744231 /nfs/dbraw/zinc/74/42/31/1034744231.db2.gz RBCZQQGJQUHBFV-MRXNPFEDSA-N 0 0 376.431 3.915 20 10 GHCDRN CCOC(=O)c1nc(NCc2cc(Br)ccc2O)ccc1Cl ZINC001160019816 1034832496 /nfs/dbraw/zinc/83/24/96/1034832496.db2.gz VULIUDSNVXEBNW-UHFFFAOYSA-N 0 0 385.645 3.992 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc(F)ccc1OC(C)C ZINC001208246608 1034832670 /nfs/dbraw/zinc/83/26/70/1034832670.db2.gz WFFONCWQUNNWNU-UHFFFAOYSA-N 0 0 394.512 3.890 20 10 GHCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)c2cc(C)cnc2Cl)cc1 ZINC001208254201 1034835999 /nfs/dbraw/zinc/83/59/99/1034835999.db2.gz RKVJJJQUWPUEMH-UHFFFAOYSA-N 0 0 381.929 3.710 20 10 GHCDRN Cc1cc(CC(=O)NCCO[C@@H]2CCCCO2)c(C)n1-c1ccc(Cl)cc1 ZINC001160145471 1034878795 /nfs/dbraw/zinc/87/87/95/1034878795.db2.gz FLQXRQVQSFOPCH-OAQYLSRUSA-N 0 0 390.911 3.949 20 10 GHCDRN CC(C)N1Cc2c(nc(Cl)nc2NCc2cc3ccccc3cc2O)C1=O ZINC001160205858 1034900980 /nfs/dbraw/zinc/90/09/80/1034900980.db2.gz ANHCWNWDDJASAH-UHFFFAOYSA-N 0 0 382.851 3.965 20 10 GHCDRN CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1Cc1ccc2ccccc2c1O ZINC001231879145 1034962984 /nfs/dbraw/zinc/96/29/84/1034962984.db2.gz WWVLAUDXUGMEKQ-OAQYLSRUSA-N 0 0 392.503 3.558 20 10 GHCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC2(C[C@@H](Oc3ncccc3F)CO2)CC1 ZINC001231910471 1034984091 /nfs/dbraw/zinc/98/40/91/1034984091.db2.gz QOJCGUNYTLKERF-OAHLLOKOSA-N 0 0 392.858 3.782 20 10 GHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC001231911541 1034987147 /nfs/dbraw/zinc/98/71/47/1034987147.db2.gz NNDSZWUMDRPTMN-GOSISDBHSA-N 0 0 394.853 3.573 20 10 GHCDRN Cc1cccc(CNc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)c1O ZINC001160769738 1035063093 /nfs/dbraw/zinc/06/30/93/1035063093.db2.gz RQQWGBNQNDMSDQ-UHFFFAOYSA-N 0 0 393.491 3.874 20 10 GHCDRN COc1ccc([C@@H](CN(C)C(=O)Cc2ccc(N)cc2)C2(O)CCCCC2)cc1 ZINC001160912835 1035091688 /nfs/dbraw/zinc/09/16/88/1035091688.db2.gz POMNZVKJONLNMJ-JOCHJYFZSA-N 0 0 396.531 3.757 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccc(Cl)c(N(C)C)c3)C2)cc1 ZINC001209445868 1035275698 /nfs/dbraw/zinc/27/56/98/1035275698.db2.gz ZGPRQYGRZKTOPY-OAHLLOKOSA-N 0 0 388.899 3.815 20 10 GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001461977739 1069925822 /nfs/dbraw/zinc/92/58/22/1069925822.db2.gz VOAKVIMFMZQBGO-UHFFFAOYSA-N 0 0 392.839 3.746 20 10 GHCDRN COc1cccc2c1OCCC[C@@H]2NC(=O)NCc1cc(Cl)ccc1O ZINC001248193334 1035621432 /nfs/dbraw/zinc/62/14/32/1035621432.db2.gz CHNMNNQCIGHVTN-HNNXBMFYSA-N 0 0 376.840 3.767 20 10 GHCDRN COc1cc(O)c(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc1I ZINC001248469491 1035897741 /nfs/dbraw/zinc/89/77/41/1035897741.db2.gz NJJNZRWUACTSSM-RISCZKNCSA-N 0 0 387.261 3.770 20 10 GHCDRN COc1ccc(C[N@H+](CC2CC2)C(C)C)c([O-])c1I ZINC001248489935 1035912424 /nfs/dbraw/zinc/91/24/24/1035912424.db2.gz QOSPIPSNPQHNLE-UHFFFAOYSA-N 0 0 375.250 3.626 20 10 GHCDRN COc1ccc(CN2Cc3ccc(F)cc3C2)c(O)c1I ZINC001248494056 1035913422 /nfs/dbraw/zinc/91/34/22/1035913422.db2.gz GISGWQREZLDAAC-UHFFFAOYSA-N 0 0 399.203 3.660 20 10 GHCDRN O=C1c2ccccc2C(=O)c2c(Nc3cnn(CC(F)(F)F)c3)ccc(O)c21 ZINC001248669423 1036041176 /nfs/dbraw/zinc/04/11/76/1036041176.db2.gz VXMCOCWIFHSNFY-UHFFFAOYSA-N 0 0 387.317 3.670 20 10 GHCDRN Cc1ncc(Br)cc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001248780768 1036140228 /nfs/dbraw/zinc/14/02/28/1036140228.db2.gz IQQYGZXETZFETO-UHFFFAOYSA-N 0 0 390.325 3.621 20 10 GHCDRN COC(=O)COc1ccc(N(C)Cc2cc(OC)c(OC)cc2Cl)cc1 ZINC001462080301 1069983465 /nfs/dbraw/zinc/98/34/65/1069983465.db2.gz HTNVLRJSXOGVRB-UHFFFAOYSA-N 0 0 379.840 3.545 20 10 GHCDRN Cc1cc(CNC(=O)CN(C)C(=O)c2cccs2)c(C)n1-c1cccc(C)c1 ZINC001462085157 1069986181 /nfs/dbraw/zinc/98/61/81/1069986181.db2.gz ZTGIWAJOXCAGAW-UHFFFAOYSA-N 0 0 395.528 3.852 20 10 GHCDRN Cc1cc(CNC(=O)c2nc(-c3cnn(C)c3)oc2C)c(C)n1-c1ccccc1 ZINC001462084457 1069986261 /nfs/dbraw/zinc/98/62/61/1069986261.db2.gz JEHFYAPMVDSJMB-UHFFFAOYSA-N 0 0 389.459 3.721 20 10 GHCDRN Cc1cc(-c2nc3ccccc3n2C)c(-c2ccc(-c3ccn(C)n3)nc2)nn1 ZINC001245203883 1036821621 /nfs/dbraw/zinc/82/16/21/1036821621.db2.gz GZEFUQZNAXOACS-UHFFFAOYSA-N 0 0 381.443 3.801 20 10 GHCDRN COCC[N@H+](Cc1ccccn1)Cc1cc(Cl)cc(Br)c1[O-] ZINC001462192720 1070069851 /nfs/dbraw/zinc/06/98/51/1070069851.db2.gz ZZBZXEBYNIOVOI-UHFFFAOYSA-N 0 0 385.689 3.852 20 10 GHCDRN CCOC(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])o1 ZINC001462197612 1070074914 /nfs/dbraw/zinc/07/49/14/1070074914.db2.gz JKPPUKGHKKKSBA-UHFFFAOYSA-N 0 0 388.645 3.868 20 10 GHCDRN Oc1cc(O)c(CN2CCN(Cc3ccncc3)c3ncccc3C2)cc1Cl ZINC001232261930 1037982799 /nfs/dbraw/zinc/98/27/99/1037982799.db2.gz UUVYFEVMFGUCDE-UHFFFAOYSA-N 0 0 396.878 3.564 20 10 GHCDRN COc1cc(O)c(CN2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)cc1Cl ZINC001232269576 1037994138 /nfs/dbraw/zinc/99/41/38/1037994138.db2.gz FJGAIDBHGQVFJW-UHFFFAOYSA-N 0 0 382.888 3.640 20 10 GHCDRN CCOC(=O)c1sc(-c2ccc(O)c(CN3CC(OC(C)C)C3)c2)nc1C ZINC001232454915 1038238451 /nfs/dbraw/zinc/23/84/51/1038238451.db2.gz UNSHNWRCWSJEEG-UHFFFAOYSA-N 0 0 390.505 3.610 20 10 GHCDRN [O-]c1c(C[NH2+][C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)ccc(F)c1F ZINC001462262249 1070129760 /nfs/dbraw/zinc/12/97/60/1070129760.db2.gz WLHPJCZVDQDRBH-ZDUSSCGKSA-N 0 0 391.368 3.917 20 10 GHCDRN Cc1cc(-c2noc(Cc3ccc(O)c(O)c3)n2)c(Br)cc1F ZINC001247959218 1038515384 /nfs/dbraw/zinc/51/53/84/1038515384.db2.gz MJBKKHQTZHLQLB-UHFFFAOYSA-N 0 0 379.185 3.949 20 10 GHCDRN COc1ccc(CC[N@H+](C)Cc2c([O-])cc(Br)cc2F)cc1OC ZINC001233027790 1038778298 /nfs/dbraw/zinc/77/82/98/1038778298.db2.gz ZKZXCWHKYARVQO-UHFFFAOYSA-N 0 0 398.272 3.986 20 10 GHCDRN CCc1nc(C2CC[NH+](Cc3c([O-])cc(Br)cc3F)CC2)no1 ZINC001233030515 1038782595 /nfs/dbraw/zinc/78/25/95/1038782595.db2.gz WKAXAPSQQTZKCK-UHFFFAOYSA-N 0 0 384.249 3.619 20 10 GHCDRN CC(C)(C)OC(=O)C[C@@H]1CC[N@H+](Cc2c([O-])cc(Br)cc2F)C1 ZINC001233030591 1038783497 /nfs/dbraw/zinc/78/34/97/1038783497.db2.gz ZNMJZSUGLFIXHK-NSHDSACASA-N 0 0 388.277 3.848 20 10 GHCDRN Cc1cccc(N2CCN(C(=O)N[C@H](C)Cc3ccc(N(C)C)cc3C)CC2)c1 ZINC001251982476 1038791606 /nfs/dbraw/zinc/79/16/06/1038791606.db2.gz WIZPUJGRRJNQRG-HXUWFJFHSA-N 0 0 394.563 3.832 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H](C)c1ccc2c(c1)CCO2 ZINC001251990497 1038796996 /nfs/dbraw/zinc/79/69/96/1038796996.db2.gz VBBHRAMWRWMLGN-IAGOWNOFSA-N 0 0 381.520 3.987 20 10 GHCDRN [O-]c1c(C[N@@H+]2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)ccc(F)c1F ZINC001233075970 1038838650 /nfs/dbraw/zinc/83/86/50/1038838650.db2.gz HDDNWHLMRKXFTH-APHBMKBZSA-N 0 0 378.444 3.966 20 10 GHCDRN COc1cc(O)c(CN2CCOC[C@H]2Cc2ccccc2)cc1Br ZINC001233141034 1038919019 /nfs/dbraw/zinc/91/90/19/1038919019.db2.gz CUSSMENLUXQTLN-MRXNPFEDSA-N 0 0 392.293 3.607 20 10 GHCDRN COCCOc1ccc(N2CCN(Cc3ccc(Cl)c(F)c3F)CC2)cc1 ZINC001233212345 1038973292 /nfs/dbraw/zinc/97/32/92/1038973292.db2.gz TWOWVAIETJXTJL-UHFFFAOYSA-N 0 0 396.865 3.966 20 10 GHCDRN COC(=O)c1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC001233306302 1039097267 /nfs/dbraw/zinc/09/72/67/1039097267.db2.gz MCFUAYARPUFWMV-MRXNPFEDSA-N 0 0 391.265 3.673 20 10 GHCDRN COC(=O)c1cc(Br)c([O-])c(C[N@@H+]2CCC[C@H]2c2ccccn2)c1 ZINC001233307531 1039098360 /nfs/dbraw/zinc/09/83/60/1039098360.db2.gz HBOKTLQLXJXMGV-INIZCTEOSA-N 0 0 391.265 3.673 20 10 GHCDRN COC(=O)c1cc(Br)c([O-])c(C[N@H+](C)Cc2ccc(C)cc2)c1 ZINC001233307509 1039098410 /nfs/dbraw/zinc/09/84/10/1039098410.db2.gz GHIGGATUAHGIPO-UHFFFAOYSA-N 0 0 378.266 3.882 20 10 GHCDRN Cc1cnsc1CN1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001233323103 1039116103 /nfs/dbraw/zinc/11/61/03/1039116103.db2.gz GHTBOMMVOXUOQA-UHFFFAOYSA-N 0 0 380.517 3.748 20 10 GHCDRN CC[C@@H]1[N@H+](Cc2c([O-])ccc(F)c2F)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001233333005 1039131878 /nfs/dbraw/zinc/13/18/78/1039131878.db2.gz GFCQQYLJRVKVLK-RXVVDRJESA-N 0 0 378.463 3.816 20 10 GHCDRN O=C1CCC2(CC[NH+](Cc3c([O-])ccc(F)c3F)CC2)N1Cc1ccccc1 ZINC001233334146 1039133785 /nfs/dbraw/zinc/13/37/85/1039133785.db2.gz VWQAZBCJIMNPFD-UHFFFAOYSA-N 0 0 386.442 3.828 20 10 GHCDRN COC[C@H]1CN(Cc2cccc(C(F)(F)F)c2O)Cc2nn(CC3CC3)cc21 ZINC001233416435 1039272820 /nfs/dbraw/zinc/27/28/20/1039272820.db2.gz HZZPMHNHIGUBKF-OAHLLOKOSA-N 0 0 395.425 3.763 20 10 GHCDRN CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C[N@@H+]2Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233416569 1039273082 /nfs/dbraw/zinc/27/30/82/1039273082.db2.gz NDULYLFMDPBMFB-ZFWWWQNUSA-N 0 0 386.414 3.852 20 10 GHCDRN CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416795 1039274081 /nfs/dbraw/zinc/27/40/81/1039274081.db2.gz WYPVIIYGFWIQOW-LSDHHAIUSA-N 0 0 386.414 3.995 20 10 GHCDRN CCOC[C@H]1CN(Cc2cccc(C(F)(F)F)c2O)Cc2cnn(CC)c21 ZINC001233416947 1039274955 /nfs/dbraw/zinc/27/49/55/1039274955.db2.gz CKSKDKVFFFAFKS-OAHLLOKOSA-N 0 0 383.414 3.763 20 10 GHCDRN CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCCN2Cc1cccc(C(F)(F)F)c1O ZINC001233416808 1039275477 /nfs/dbraw/zinc/27/54/77/1039275477.db2.gz XFPJKMWMDBUGSM-CABCVRRESA-N 0 0 386.414 3.995 20 10 GHCDRN [O-]c1c(C[NH+]2CCN(c3nccc4occc43)CC2)cccc1C(F)(F)F ZINC001233418521 1039280911 /nfs/dbraw/zinc/28/09/11/1039280911.db2.gz 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Oc1ccc(C(F)(F)F)cc1CN1CCCn2cnc(COCC3CC3)c2C1 ZINC001237138719 1042060289 /nfs/dbraw/zinc/06/02/89/1042060289.db2.gz DWZYWFILLQGOTB-UHFFFAOYSA-N 0 0 395.425 3.940 20 10 GHCDRN CCCCN(CCCC)c1ccc(CN2CCC[C@@H](S(C)(=O)=O)C2)c(O)c1 ZINC001237214113 1042093340 /nfs/dbraw/zinc/09/33/40/1042093340.db2.gz YULZJBAVMNHVEW-HXUWFJFHSA-N 0 0 396.597 3.808 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1CN1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237309975 1042138823 /nfs/dbraw/zinc/13/88/23/1042138823.db2.gz CJZZDGVLKIVJIA-UHFFFAOYSA-N 0 0 391.284 3.888 20 10 GHCDRN O=C1C[C@H](c2ccccc2)C2(CC[NH+](Cc3cc(Cl)cc(F)c3[O-])CC2)N1 ZINC001237618593 1042284984 /nfs/dbraw/zinc/28/49/84/1042284984.db2.gz JKDTXBHRRHZGBH-QGZVFWFLSA-N 0 0 388.870 3.823 20 10 GHCDRN COc1cc(CN2CCO[C@@](C)(c3ccc(Cl)cc3)C2)c(O)c(OC)c1 ZINC001237679459 1042321093 /nfs/dbraw/zinc/32/10/93/1042321093.db2.gz VJDIXYHIXSRMLI-HXUWFJFHSA-N 0 0 377.868 3.810 20 10 GHCDRN Cc1cc(O)c(CN2CCOC[C@H]2Cc2ccccc2)cc1Br ZINC001237687111 1042327302 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CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](Cc2ccncc2)C(=O)[O-])cc1 ZINC000848638676 1057219003 /nfs/dbraw/zinc/21/90/03/1057219003.db2.gz BOEHEDPDPVOIIW-QHCPKHFHSA-N 0 0 389.499 3.894 20 10 GHCDRN Cc1cc(C(=O)CSCc2ncnn2C(C)C)c(C)n1-c1ccc(F)cn1 ZINC001325405731 1057323156 /nfs/dbraw/zinc/32/31/56/1057323156.db2.gz KGYJIRZPPCETKH-UHFFFAOYSA-N 0 0 387.484 3.917 20 10 GHCDRN C[C@H](NC(=O)c1ccc(F)c2cccnc12)c1ccc(N2CCOCC2)cc1 ZINC001356164859 1057414536 /nfs/dbraw/zinc/41/45/36/1057414536.db2.gz GSOIETPTKINECL-HNNXBMFYSA-N 0 0 379.435 3.702 20 10 GHCDRN Cc1cnc(OC2CC[NH+](Cc3cc(C)cc(Br)c3[O-])CC2)nc1 ZINC000848925591 1057425789 /nfs/dbraw/zinc/42/57/89/1057425789.db2.gz XOLAIWIJDWFGKU-UHFFFAOYSA-N 0 0 392.297 3.605 20 10 GHCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 ZINC001326313710 1057454138 /nfs/dbraw/zinc/45/41/38/1057454138.db2.gz PVMKPIDXILZALV-GDBMZVCRSA-N 0 0 394.475 3.803 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cc2c[nH]c3cnccc23)cc1 ZINC001326445956 1057485187 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Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCc3cc(O)ccc3O)c2c1 ZINC001471660851 1073171641 /nfs/dbraw/zinc/17/16/41/1073171641.db2.gz BQIJUJVKYRPVMQ-UHFFFAOYSA-N 0 0 385.423 3.946 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H](CCO)C2CCCC2)cc1 ZINC001472081144 1073328652 /nfs/dbraw/zinc/32/86/52/1073328652.db2.gz HAROIACQQADSLG-JOCHJYFZSA-N 0 0 382.504 3.507 20 10 GHCDRN O=C(NCc1c(O)ccc2ccccc21)C1(OCc2ccccc2)CCOCC1 ZINC001472084796 1073329422 /nfs/dbraw/zinc/32/94/22/1073329422.db2.gz DJYIUFAHOZYAPZ-UHFFFAOYSA-N 0 0 391.467 3.928 20 10 GHCDRN Cc1cc(C(=O)NCc2[nH]cc(C)c(=O)c2C)c(C)n1-c1cc(C)cc(C)c1 ZINC001472123608 1073338593 /nfs/dbraw/zinc/33/85/93/1073338593.db2.gz WZOPYGRZZKYTCN-UHFFFAOYSA-N 0 0 377.488 3.946 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NOCCOc1ccccc1 ZINC001472341737 1073434162 /nfs/dbraw/zinc/43/41/62/1073434162.db2.gz KGZFMORXYWZATN-UHFFFAOYSA-N 0 0 378.428 3.647 20 10 GHCDRN O=C(NC[C@H](OCC1CC1)c1ccc(Cl)cc1)c1c(F)ccc(O)c1O ZINC001472560980 1073551799 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COc1cccc(-c2cc(CNC(=O)NCc3cccc(Cl)c3O)on2)c1 ZINC001479424986 1079203059 /nfs/dbraw/zinc/20/30/59/1079203059.db2.gz GXBYHUFNTJYAIL-UHFFFAOYSA-N 0 0 387.823 3.709 20 10 GHCDRN CCN(CC)S(=O)(=O)c1ccc(NC/C=C\c2ccc(N(C)C)cc2)cc1 ZINC001474187701 1074287482 /nfs/dbraw/zinc/28/74/82/1074287482.db2.gz LLPCRPVRLSJZLZ-FPLPWBNLSA-N 0 0 387.549 3.908 20 10 GHCDRN COc1c(O)c(CNCc2cc(-c3ccc(F)cc3F)on2)ccc1[N+](=O)[O-] ZINC001474693642 1074518543 /nfs/dbraw/zinc/51/85/43/1074518543.db2.gz OMIHXFKOQGJTNM-UHFFFAOYSA-N 0 0 391.330 3.532 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC001474715703 1074531275 /nfs/dbraw/zinc/53/12/75/1074531275.db2.gz ONXHFBBLLDKBDR-HOTGVXAUSA-N 0 0 377.257 3.757 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)/C=C/c1ccc(F)cc1 ZINC001475402940 1074862881 /nfs/dbraw/zinc/86/28/81/1074862881.db2.gz PQINNBTUNXKEBO-PCUGXKRQSA-N 0 0 376.497 3.721 20 10 GHCDRN Cc1cc(CNS(=O)(=O)c2cc(N)ccc2C)c(C)n1-c1cccc(C)c1 ZINC001475566292 1074915972 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O=C1C(=Cc2ccc(-c3nn[nH]n3)o2)SC(=S)N1c1cccc(Cl)c1 ZINC000823505009 599309660 /nfs/dbraw/zinc/30/96/60/599309660.db2.gz WVXIUMLGOMJWKA-KPKJPENVSA-N 0 0 389.849 3.519 20 10 GHCDRN C[C@@H](C[N@H+](Cc1c(O)ccc2cc(Br)ccc21)C1CC1)C(=O)[O-] ZINC000736585860 599935288 /nfs/dbraw/zinc/93/52/88/599935288.db2.gz XRNYVARNOSJIRG-NSHDSACASA-N 0 0 378.266 3.993 20 10 GHCDRN O=C([O-])[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(F)cc1 ZINC000833168271 600758500 /nfs/dbraw/zinc/75/85/00/600758500.db2.gz WLJVATTXYBVRSU-MAUKXSAKSA-N 0 0 394.393 3.811 20 10 GHCDRN O=C([O-])[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1F ZINC000833167876 600758558 /nfs/dbraw/zinc/75/85/58/600758558.db2.gz RHTYFIUJNXGOEC-SCLBCKFNSA-N 0 0 394.393 3.811 20 10 GHCDRN CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc(NC(=O)[O-])cc3)c2)CC1 ZINC000833499248 604470929 /nfs/dbraw/zinc/47/09/29/604470929.db2.gz MVWRLDJVVGTQKK-UHFFFAOYSA-N 0 0 382.464 3.559 20 10 GHCDRN Cc1ccc(N2C(=O)C(=Cc3cc(-c4nn[nH]n4)cs3)SC2=S)cc1 ZINC000822240912 606304288 /nfs/dbraw/zinc/30/42/88/606304288.db2.gz DLGUQXNHBQIOEV-NTUHNPAUSA-N 0 0 385.499 3.642 20 10 GHCDRN CCOc1ccccc1C(F)(F)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC001266268849 834669841 /nfs/dbraw/zinc/66/98/41/834669841.db2.gz QIRPMJDYETVSIV-UHFFFAOYSA-N 0 0 390.430 3.535 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000060349188 834897065 /nfs/dbraw/zinc/89/70/65/834897065.db2.gz WRJIEPFKTSMOEE-UHFFFAOYSA-N 0 0 376.497 3.778 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1NC(=O)NC(C)C ZINC000161862493 834984852 /nfs/dbraw/zinc/98/48/52/834984852.db2.gz JXWROISYJLLYLG-UHFFFAOYSA-N 0 0 382.508 3.945 20 10 GHCDRN COc1c([O-])c(C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000278405803 834988305 /nfs/dbraw/zinc/98/83/05/834988305.db2.gz PBVZWKJHCZTYSH-UHFFFAOYSA-N 0 0 390.411 3.629 20 10 GHCDRN COc1ccc(N(C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1OC ZINC000140313053 835042625 /nfs/dbraw/zinc/04/26/25/835042625.db2.gz OYARVCRANAUJQX-UHFFFAOYSA-N 0 0 398.362 3.858 20 10 GHCDRN CCOc1cc(/C=C/C(=O)N2CCCN(c3ccc(OC)cc3)CC2)ccc1O ZINC000179442796 835712930 /nfs/dbraw/zinc/71/29/30/835712930.db2.gz SFWLNFNLPRUSTB-WUXMJOGZSA-N 0 0 396.487 3.552 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1COc2ccccc21 ZINC000113052432 844085566 /nfs/dbraw/zinc/08/55/66/844085566.db2.gz DNMBWEKXVNVIRP-GOSISDBHSA-N 0 0 388.414 3.549 20 10 GHCDRN CC(C)[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1nc(C2CC2)no1 ZINC000154628516 835822315 /nfs/dbraw/zinc/82/23/15/835822315.db2.gz FUXQEQZGADRLHV-SFHVURJKSA-N 0 0 381.480 3.520 20 10 GHCDRN CSc1nc(C(C)(C)C)nc(C)c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000274918327 835824961 /nfs/dbraw/zinc/82/49/61/835824961.db2.gz KVGPDPNHIMCQLN-NSHDSACASA-N 0 0 389.521 3.577 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(S(=O)(=O)C(C)C)cc1 ZINC000471223636 835982826 /nfs/dbraw/zinc/98/28/26/835982826.db2.gz ILYCRWIHQJDUHI-UHFFFAOYSA-N 0 0 384.501 3.599 20 10 GHCDRN CC(=O)N[C@H](CC(=O)NCc1c(C)c2ccccc2n1C)c1c(F)cccc1F ZINC000471230554 836047507 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COc1ccc(C(=O)CCC(=O)NCc2c(C)c3ccccc3n2C)cc1OC ZINC000473281585 844144693 /nfs/dbraw/zinc/14/46/93/844144693.db2.gz ZVBRGXWFUHGWKB-UHFFFAOYSA-N 0 0 394.471 3.783 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3cc(Br)cs3)CC2)cc1F ZINC000177285975 836269230 /nfs/dbraw/zinc/26/92/30/836269230.db2.gz YOKQYIMWNIDTSY-UHFFFAOYSA-N 0 0 399.285 3.621 20 10 GHCDRN Cc1cc(C(=O)CN2CCc3ncsc3C2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000782635622 836661129 /nfs/dbraw/zinc/66/11/29/836661129.db2.gz ZSZYXRMSCNJZHR-UHFFFAOYSA-N 0 0 395.484 3.520 20 10 GHCDRN Cc1nn(C)c2nc(C)c(CCC(=O)NCc3cccc(Cl)c3O)c(C)c12 ZINC000890757933 836684962 /nfs/dbraw/zinc/68/49/62/836684962.db2.gz NJPSUVVERCMRTQ-UHFFFAOYSA-N 0 0 386.883 3.502 20 10 GHCDRN C[C@@H](Sc1ccccn1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000021979332 836712220 /nfs/dbraw/zinc/71/22/20/836712220.db2.gz IPAUFVGWIILUJX-CYBMUJFWSA-N 0 0 388.448 3.976 20 10 GHCDRN C[C@H](Cc1cccc(Br)c1)NC(=O)N(C)Cc1ccccc1O ZINC000120844137 836716828 /nfs/dbraw/zinc/71/68/28/836716828.db2.gz 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Cc1cc(C(=O)CN2CCCN(C(=O)C(C)C)CC2)c(C)n1-c1cccc(C)c1 ZINC000738314006 865528684 /nfs/dbraw/zinc/52/86/84/865528684.db2.gz LSZOXMTYUJZEDG-UHFFFAOYSA-N 0 0 395.547 3.776 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(Cc2cccc(O)c2)CC1 ZINC000738527309 865551506 /nfs/dbraw/zinc/55/15/06/865551506.db2.gz WVMGHKMJTHMJDC-UHFFFAOYSA-N 0 0 395.528 3.819 20 10 GHCDRN COc1ccc(CNC(=O)N[C@H]2C[C@H](OCc3ccccc3)C2(C)C)c(O)c1 ZINC000793056135 881882145 /nfs/dbraw/zinc/88/21/45/881882145.db2.gz VBGOOHYUQUHKNF-PMACEKPBSA-N 0 0 384.476 3.584 20 10 GHCDRN COc1cc([N+](=O)[O-])c(N2CCN(Cc3ccc(Cl)cc3)CC2)cc1OC ZINC000301939601 865618261 /nfs/dbraw/zinc/61/82/61/865618261.db2.gz TWFQCUVYVNOFRC-UHFFFAOYSA-N 0 0 391.855 3.588 20 10 GHCDRN CCCOc1ccc(/C=C2/SC(=S)N(c3cnn(C)c3)C2=O)cc1OC ZINC000899260800 865648843 /nfs/dbraw/zinc/64/88/43/865648843.db2.gz QWAHNIMGWYUCKP-CXUHLZMHSA-N 0 0 389.502 3.623 20 10 GHCDRN O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)cc2)c(OC(F)F)c1 ZINC000302046554 865684199 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CN(c1ccc(CNC(=O)NC[C@](C)(O)c2ccco2)cc1)C1CCCCC1 ZINC000743565778 868293082 /nfs/dbraw/zinc/29/30/82/868293082.db2.gz BENMDKTUYIKFJS-QFIPXVFZSA-N 0 0 385.508 3.755 20 10 GHCDRN CC(C)CCOCCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743568813 868295794 /nfs/dbraw/zinc/29/57/94/868295794.db2.gz XYBIJEGPPGQQEX-INIZCTEOSA-N 0 0 399.482 3.619 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NC[C@H](C)Oc3cccc(C)c3)CC2)cc1 ZINC000743669200 868336754 /nfs/dbraw/zinc/33/67/54/868336754.db2.gz XUMUTRCWDAEBFX-SFHVURJKSA-N 0 0 397.519 3.739 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3c(F)ccc(F)c3Cl)C2)cc1 ZINC000857294447 882179471 /nfs/dbraw/zinc/17/94/71/882179471.db2.gz GJPQIUJVIARJSC-LBPRGKRZSA-N 0 0 380.822 3.883 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)c1 ZINC000743703352 868373044 /nfs/dbraw/zinc/37/30/44/868373044.db2.gz HSNYVCBJPBAKTP-OLZOCXBDSA-N 0 0 378.856 3.882 20 10 GHCDRN CSC(C)(C)CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000743710390 868377565 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CNC(=O)CC1(C[NH2+]Cc2cc(C)cc(Br)c2[O-])CCCCC1 ZINC000850400323 876881343 /nfs/dbraw/zinc/88/13/43/876881343.db2.gz GKKHSJHKEFNKOW-UHFFFAOYSA-N 0 0 383.330 3.639 20 10 GHCDRN OC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(Cl)c1Cl ZINC000850402493 876883038 /nfs/dbraw/zinc/88/30/38/876883038.db2.gz MLXJPVMNDMKEPM-QGZVFWFLSA-N 0 0 399.293 3.792 20 10 GHCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1 ZINC000152117794 876887016 /nfs/dbraw/zinc/88/70/16/876887016.db2.gz GJLULAAZRZDIPB-HNNXBMFYSA-N 0 0 390.443 3.728 20 10 GHCDRN CC[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000850487191 876962664 /nfs/dbraw/zinc/96/26/64/876962664.db2.gz YBHVXOXRRITIMY-CYBMUJFWSA-N 0 0 380.337 3.955 20 10 GHCDRN C[C@H]([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000850558450 877026018 /nfs/dbraw/zinc/02/60/18/877026018.db2.gz XHIFPHPZKKUPHH-APHBMKBZSA-N 0 0 385.335 3.993 20 10 GHCDRN C[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cc(Br)c(F)cc1[O-] ZINC000850566665 877032915 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O=C(NCc1c(O)ccc2c1CCCC2)NC[C@H]1CCN(c2ccccc2)C1 ZINC000175599153 877347281 /nfs/dbraw/zinc/34/72/81/877347281.db2.gz YBIDDKQCWUUEBH-QGZVFWFLSA-N 0 0 379.504 3.597 20 10 GHCDRN COCCN1CCCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1=O ZINC000787377221 877356944 /nfs/dbraw/zinc/35/69/44/877356944.db2.gz IIXHZVJBKLFHCS-UHFFFAOYSA-N 0 0 395.463 3.815 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)CCCOc1ccc2c(c1)NC(=O)CC2 ZINC000787423646 877382765 /nfs/dbraw/zinc/38/27/65/877382765.db2.gz GWJXLMXSPDEFTE-UHFFFAOYSA-N 0 0 396.487 3.875 20 10 GHCDRN O=C1[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCCN1Cc1ccc(F)cc1F ZINC000787438642 877402271 /nfs/dbraw/zinc/40/22/71/877402271.db2.gz SEOYCZJGNVFECD-QGZVFWFLSA-N 0 0 398.812 3.744 20 10 GHCDRN CN1CCN(c2ccc(NCc3cc(F)ccc3O)cc2Br)CC1 ZINC000787436452 877402878 /nfs/dbraw/zinc/40/28/78/877402878.db2.gz BORVMEQWOGRYRB-UHFFFAOYSA-N 0 0 394.288 3.658 20 10 GHCDRN COc1ccc(O[C@@H](C)CNC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000175638469 877411851 /nfs/dbraw/zinc/41/18/51/877411851.db2.gz 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/nfs/dbraw/zinc/41/28/00/878412800.db2.gz MGCDLZXFVXHWKX-UHFFFAOYSA-N 0 0 393.491 3.776 20 10 GHCDRN CCn1cccc(CNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1=O ZINC000788923527 878420503 /nfs/dbraw/zinc/42/05/03/878420503.db2.gz DNHYTRJZWHFSJI-UHFFFAOYSA-N 0 0 396.535 3.637 20 10 GHCDRN CC(C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000788932910 878479829 /nfs/dbraw/zinc/47/98/29/878479829.db2.gz MSPDMVPLDFEGJS-VQTJNVASSA-N 0 0 385.552 3.624 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](COC)Cc2ccccc2)cc1 ZINC000746781586 878516679 /nfs/dbraw/zinc/51/66/79/878516679.db2.gz SHXMJCIRHABEPP-OAQYLSRUSA-N 0 0 383.536 3.932 20 10 GHCDRN Cc1c(NC(=O)NCc2ccc(N3CCSCC3)cc2)cccc1N(C)C ZINC000180136229 878583210 /nfs/dbraw/zinc/58/32/10/878583210.db2.gz CTMXHWCHWBGRFA-UHFFFAOYSA-N 0 0 384.549 3.936 20 10 GHCDRN C[C@@H](OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)c1ccccc1C(F)(F)F ZINC000789073827 878585382 /nfs/dbraw/zinc/58/53/82/878585382.db2.gz UUHUMOIOKQVALG-MXMFLMJRSA-N 0 0 380.318 3.944 20 10 GHCDRN COc1cc(NCc2ccc(N3CCOCC3)c(F)c2)c(Cl)cc1[N+](=O)[O-] ZINC000853195213 878886208 /nfs/dbraw/zinc/88/62/08/878886208.db2.gz FHQFBGZKWDWJNM-UHFFFAOYSA-N 0 0 395.818 3.845 20 10 GHCDRN CN1CCCc2cc(CNC(=O)CCc3ncc(-c4ccccc4)o3)ccc21 ZINC000746811866 878932973 /nfs/dbraw/zinc/93/29/73/878932973.db2.gz PCYYIHNEDNURAJ-UHFFFAOYSA-N 0 0 375.472 3.973 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000853253708 878936706 /nfs/dbraw/zinc/93/67/06/878936706.db2.gz REKBLZSSTUTHEO-SLFFLAALSA-N 0 0 385.552 3.806 20 10 GHCDRN CCN(CC)c1ccc(CNc2ccc3c(c2)S(=O)(=O)N=C3Cl)cc1F ZINC000853302362 878961820 /nfs/dbraw/zinc/96/18/20/878961820.db2.gz BILOKVMLHWGSMP-UHFFFAOYSA-N 0 0 395.887 3.972 20 10 GHCDRN CC(=O)N1CCN(c2ccc(CNc3nc4ccccc4n4cccc34)cc2)CC1 ZINC000853519440 879080407 /nfs/dbraw/zinc/08/04/07/879080407.db2.gz GJMNNSJNVRLCRU-UHFFFAOYSA-N 0 0 399.498 3.768 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(-c3ccccn3)[nH]c2=O)cc1 ZINC000746834146 879101485 /nfs/dbraw/zinc/10/14/85/879101485.db2.gz GKOQWQXYSNXQQL-UHFFFAOYSA-N 0 0 376.460 3.625 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1cccnc1Oc1cccc(F)c1 ZINC000180654099 879116872 /nfs/dbraw/zinc/11/68/72/879116872.db2.gz AOXZKTVZTVDKFV-VQHVLOKHSA-N 0 0 380.375 3.754 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000111475988 879194590 /nfs/dbraw/zinc/19/45/90/879194590.db2.gz XTLVZXPLPCUMSQ-FGZHOGPDSA-N 0 0 379.504 3.659 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1nc(CC(C)(C)C)cs1 ZINC000789756693 879237449 /nfs/dbraw/zinc/23/74/49/879237449.db2.gz GPSVJZUPIZDCBZ-UHFFFAOYSA-N 0 0 389.521 3.815 20 10 GHCDRN COc1ccc(N2CC[C@H](Nc3ccc4nnc(-c5ccsc5)n4n3)C2)cc1 ZINC000853758378 879264698 /nfs/dbraw/zinc/26/46/98/879264698.db2.gz DFDCDSKEWQEMGE-HNNXBMFYSA-N 0 0 392.488 3.552 20 10 GHCDRN Cc1ccc([C@H](C)CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000853771530 879272088 /nfs/dbraw/zinc/27/20/88/879272088.db2.gz YPDQRQUJQRIKRC-GOSISDBHSA-N 0 0 381.520 3.559 20 10 GHCDRN CO[C@H](CSCC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C)[C@H]1CCOC1 ZINC000853780703 879281693 /nfs/dbraw/zinc/28/16/93/879281693.db2.gz CYCSJEIPAZJABP-HNAYVOBHSA-N 0 0 392.496 3.596 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(C)n(-c3cccc(F)c3)n2)c1 ZINC000180767029 879295319 /nfs/dbraw/zinc/29/53/19/879295319.db2.gz BJMOSTCMXBZGQM-CYBMUJFWSA-N 0 0 384.411 3.917 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000789884498 879313048 /nfs/dbraw/zinc/31/30/48/879313048.db2.gz SQXIFHMTPXACOO-HSVJCBRXSA-N 0 0 393.270 3.813 20 10 GHCDRN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000746866460 879369500 /nfs/dbraw/zinc/36/95/00/879369500.db2.gz NHRKHJAJXBGPIU-HXUWFJFHSA-N 0 0 399.510 3.661 20 10 GHCDRN CCOc1cccc(CN(C)[C@H](C(=O)OC)c2cc(F)c(F)c(F)c2)c1O ZINC000093811686 912449382 /nfs/dbraw/zinc/44/93/82/912449382.db2.gz GWIPUYCFVLQCMP-KRWDZBQOSA-N 0 0 383.366 3.554 20 10 GHCDRN C[C@H](NC(=O)c1c(F)ccc(O)c1O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000790069792 879413646 /nfs/dbraw/zinc/41/36/46/879413646.db2.gz UMBKUYOYAABVCI-ZDUSSCGKSA-N 0 0 394.402 3.980 20 10 GHCDRN C[C@H]1CN(C(=O)NCCCSc2nccs2)C[C@H](c2ccsc2)O1 ZINC000152596072 879434577 /nfs/dbraw/zinc/43/45/77/879434577.db2.gz YPKVEVJLOCSTJE-GXTWGEPZSA-N 0 0 383.564 3.858 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3ccccc3Br)C2)cc1 ZINC000854156707 879590858 /nfs/dbraw/zinc/59/08/58/879590858.db2.gz RYNLHFLTRNWPNA-ZDUSSCGKSA-N 0 0 390.281 3.858 20 10 GHCDRN COc1cc(C)nc(/C=C2/SC(=S)N(c3ccc(OC)c(F)c3)C2=O)c1 ZINC000776726264 879663133 /nfs/dbraw/zinc/66/31/33/879663133.db2.gz ICNMNQQGPRSUBS-LZYBPNLTSA-N 0 0 390.461 3.952 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](C)c1ccccn1 ZINC000854262266 879674944 /nfs/dbraw/zinc/67/49/44/879674944.db2.gz TZNUKJDPQIXAKL-CYBMUJFWSA-N 0 0 392.297 3.885 20 10 GHCDRN CCS[C@H]1CCCCN(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000112137136 879718992 /nfs/dbraw/zinc/71/89/92/879718992.db2.gz WPVUUYJJDYAIRU-FQEVSTJZSA-N 0 0 391.581 3.981 20 10 GHCDRN Cc1ncc(/C=C/C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)s1 ZINC000112280562 879860112 /nfs/dbraw/zinc/86/01/12/879860112.db2.gz GORPPHIQWMGSAJ-GNISGLHKSA-N 0 0 385.533 3.739 20 10 GHCDRN C[C@@H]1CCC[C@@H](OCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000112582233 880019380 /nfs/dbraw/zinc/01/93/80/880019380.db2.gz HXSMSOJMDAYUAZ-DNVCBOLYSA-N 0 0 396.478 3.968 20 10 GHCDRN COCc1ccsc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000181179530 880062636 /nfs/dbraw/zinc/06/26/36/880062636.db2.gz NPZSHTIFPHPHJT-LJQANCHMSA-N 0 0 388.533 3.782 20 10 GHCDRN Cc1cc(C(=O)NCC2(C)COC2)c(C)n1-c1ccc(Br)cc1 ZINC000112693776 880088358 /nfs/dbraw/zinc/08/83/58/880088358.db2.gz SVNLTOOWKVKCQN-UHFFFAOYSA-N 0 0 377.282 3.623 20 10 GHCDRN Cc1cc(CC(=O)NCCc2c(C)n[nH]c2C)c(C)n1-c1ccc(Cl)cc1 ZINC000854869165 880107403 /nfs/dbraw/zinc/10/74/03/880107403.db2.gz BJGNWQAFLDPSFA-UHFFFAOYSA-N 0 0 384.911 3.989 20 10 GHCDRN COc1ccc(NCc2c(O)ccc(Cl)c2F)cc1-n1nnnc1C1CC1 ZINC000790980035 880139370 /nfs/dbraw/zinc/13/93/70/880139370.db2.gz BWJBSIRETXXTHJ-UHFFFAOYSA-N 0 0 389.818 3.659 20 10 GHCDRN Cc1nn(C2CCOCC2)c(C)c1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000854947639 880167295 /nfs/dbraw/zinc/16/72/95/880167295.db2.gz CESOHBVEIAQTFI-INIZCTEOSA-N 0 0 398.551 3.587 20 10 GHCDRN Oc1cccc2c1CN(Cc1ncc(Br)cc1Br)C2 ZINC001183455698 912548691 /nfs/dbraw/zinc/54/86/91/912548691.db2.gz WFNAWWCIXNDYCH-UHFFFAOYSA-N 0 0 384.071 3.828 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)/C=C/c1ccc(O)cc1 ZINC000791250687 880283609 /nfs/dbraw/zinc/28/36/09/880283609.db2.gz UDCWCBHRDWVKER-BJMVGYQFSA-N 0 0 396.487 3.794 20 10 GHCDRN Cc1cc(C(=O)Nc2ccc(-n3cncn3)cn2)c(C)n1-c1ccc(Cl)cc1 ZINC000791295832 880308201 /nfs/dbraw/zinc/30/82/01/880308201.db2.gz GEBWEUPMZPTXCE-UHFFFAOYSA-N 0 0 392.850 3.976 20 10 GHCDRN CO[C@@H](CNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C)[C@H]1CCOC1 ZINC000855208667 880358081 /nfs/dbraw/zinc/35/80/81/880358081.db2.gz ZGOLDVOGNNHFCO-KXBFYZLASA-N 0 0 376.884 3.529 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)C[C@@H](c3ccc(O)cc3)C3CC3)C2)cc1 ZINC000855223080 880367650 /nfs/dbraw/zinc/36/76/50/880367650.db2.gz DWZBROQXOAKNGO-XMSQKQJNSA-N 0 0 380.488 3.680 20 10 GHCDRN CC[C@@H](C)c1nc(C)c(CC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c(C)n1 ZINC000855222908 880368132 /nfs/dbraw/zinc/36/81/32/880368132.db2.gz CTVGGTNIQAPQBN-CRAIPNDOSA-N 0 0 396.535 3.553 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3cc4cccc(F)c4nc3C)C2)cc1 ZINC000855223921 880368917 /nfs/dbraw/zinc/36/89/17/880368917.db2.gz JDTCNPYUAIQTAO-INIZCTEOSA-N 0 0 379.435 3.700 20 10 GHCDRN C/C=C\c1ccc(OCC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c(OC)c1 ZINC000855229004 880373267 /nfs/dbraw/zinc/37/32/67/880373267.db2.gz IXPGDWSDMQTKGL-XDXAGZTOSA-N 0 0 396.487 3.511 20 10 GHCDRN COCc1c2ccccc2oc1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855228376 880373609 /nfs/dbraw/zinc/37/36/09/880373609.db2.gz BBXAQKQYYBSZLT-OAHLLOKOSA-N 0 0 380.444 3.597 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)C3(c4ccc(OC)cc4)CCC3)C2)cc1 ZINC000855231311 880376290 /nfs/dbraw/zinc/37/62/90/880376290.db2.gz VJEOKCJYQJVMNG-GOSISDBHSA-N 0 0 380.488 3.521 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Cc3cccc(OC(F)(F)F)c3)C2)cc1 ZINC000855233826 880379036 /nfs/dbraw/zinc/37/90/36/880379036.db2.gz NMFRRLQBLZLUOJ-HNNXBMFYSA-N 0 0 394.393 3.531 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@H](Cn3ccnn3)C2)c(C)n1-c1cccc(Cl)c1 ZINC000855240353 880380877 /nfs/dbraw/zinc/38/08/77/880380877.db2.gz PFEAFASJJGEFFJ-INIZCTEOSA-N 0 0 383.883 3.501 20 10 GHCDRN CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000776826246 880663553 /nfs/dbraw/zinc/66/35/53/880663553.db2.gz QKWJEMXQZAWDRH-GXTWGEPZSA-N 0 0 382.888 3.595 20 10 GHCDRN CC(C)OC(=O)CC[C@@H](C)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000792078199 880886047 /nfs/dbraw/zinc/88/60/47/880886047.db2.gz XCOFTADJFUGWQM-GOSISDBHSA-N 0 0 389.540 3.842 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)cc1 ZINC000792036178 880887355 /nfs/dbraw/zinc/88/73/55/880887355.db2.gz QUQJFFBIDLXFHI-UHFFFAOYSA-N 0 0 398.507 3.696 20 10 GHCDRN CCC1(CC)CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000776855358 880901342 /nfs/dbraw/zinc/90/13/42/880901342.db2.gz HXMOQXUHTDOCET-UHFFFAOYSA-N 0 0 377.504 3.774 20 10 GHCDRN CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1OCCOC)c1ccc(Cl)c(Cl)c1[O-] ZINC000776868642 880916225 /nfs/dbraw/zinc/91/62/25/880916225.db2.gz JMEOMISJNNCPNK-ZNMIVQPWSA-N 0 0 378.296 3.560 20 10 GHCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2csc(=O)[nH]2)cc1 ZINC000792155553 880946944 /nfs/dbraw/zinc/94/69/44/880946944.db2.gz AQKQYKWCQFOZTQ-UHFFFAOYSA-N 0 0 383.473 3.770 20 10 GHCDRN CCOC(=O)c1csc([C@@H]2CCCN2Cc2ccc(N(C)C)c(F)c2)n1 ZINC000792196835 880982136 /nfs/dbraw/zinc/98/21/36/880982136.db2.gz MKKHYIAQIWQBHV-KRWDZBQOSA-N 0 0 377.485 3.862 20 10 GHCDRN CC[C@H](C)n1ncc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1C ZINC000792278563 881009303 /nfs/dbraw/zinc/00/93/03/881009303.db2.gz CGIVCLKMKIVRRK-HNNXBMFYSA-N 0 0 397.523 3.907 20 10 GHCDRN O=C(c1ccn(C2CCCCC2)n1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000792270314 881026776 /nfs/dbraw/zinc/02/67/76/881026776.db2.gz CEYFNNMXGSVBQU-LJQANCHMSA-N 0 0 383.492 3.915 20 10 GHCDRN COc1cc(O)c(CN2CCc3cc(Br)cc(F)c3C2)cc1OC ZINC000774648034 912635250 /nfs/dbraw/zinc/63/52/50/912635250.db2.gz SPBWXHKZLZGGNK-UHFFFAOYSA-N 0 0 396.256 3.869 20 10 GHCDRN Cn1c(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)ccc1-c1ccccc1 ZINC000856211696 881046556 /nfs/dbraw/zinc/04/65/56/881046556.db2.gz ZGTFQWZXDRAAPI-UHFFFAOYSA-N 0 0 389.499 3.583 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1scnc1C1CCCC1 ZINC000856212298 881046929 /nfs/dbraw/zinc/04/69/29/881046929.db2.gz IFVOPTSWWZLZKA-UHFFFAOYSA-N 0 0 385.533 3.692 20 10 GHCDRN C[C@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)Oc1ccccc1 ZINC000114031963 881058886 /nfs/dbraw/zinc/05/88/86/881058886.db2.gz PKWZXWVESBHERH-XLIONFOSSA-N 0 0 384.476 3.550 20 10 GHCDRN NC(=O)C[C@@H](NC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CCOCC1 ZINC000761612017 881077026 /nfs/dbraw/zinc/07/70/26/881077026.db2.gz ASNKKKBWQNEAJR-LJQANCHMSA-N 0 0 395.463 3.894 20 10 GHCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000763446070 881170785 /nfs/dbraw/zinc/17/07/85/881170785.db2.gz UTLSHAPFLVIQQV-CYBMUJFWSA-N 0 0 384.701 3.749 20 10 GHCDRN Cc1cc(C(=O)N2CCO[C@@]3(CCO[C@@H]3C)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000792541536 881202305 /nfs/dbraw/zinc/20/23/05/881202305.db2.gz UMAOZULAAOBHSE-IERDGZPVSA-N 0 0 388.895 3.768 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCC2(c3ccccc3)CCOCC2)c1 ZINC000103512892 881258632 /nfs/dbraw/zinc/25/86/32/881258632.db2.gz TYLZBOWOUIHWNQ-MRXNPFEDSA-N 0 0 384.476 3.509 20 10 GHCDRN CC(C)c1c(C(=O)NCCCSc2nccs2)cnn1-c1ccccn1 ZINC000114374895 881336608 /nfs/dbraw/zinc/33/66/08/881336608.db2.gz SAAGFLRKLTZRDO-UHFFFAOYSA-N 0 0 387.534 3.759 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)NCCC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000858517737 883167204 /nfs/dbraw/zinc/16/72/04/883167204.db2.gz JJLLJZDBTACSEN-QGZVFWFLSA-N 0 0 391.512 3.680 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858520045 883169377 /nfs/dbraw/zinc/16/93/77/883169377.db2.gz OZDCJZYNVWEANJ-BMIGLBTASA-N 0 0 393.802 3.549 20 10 GHCDRN C[C@@H](NC(c1ccnn1C)c1ccnn1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000858582519 883213752 /nfs/dbraw/zinc/21/37/52/883213752.db2.gz XJWPZKJKCKXCEQ-MRXNPFEDSA-N 0 0 396.514 3.723 20 10 GHCDRN COc1cc(NC(=O)NCc2ccc(N(C)C)cc2)ccc1Br ZINC000175027126 883213998 /nfs/dbraw/zinc/21/39/98/883213998.db2.gz XQQKTABEVVLGSB-UHFFFAOYSA-N 0 0 378.270 3.845 20 10 GHCDRN Cc1ccccc1CO[C@@H](C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000858590323 883218829 /nfs/dbraw/zinc/21/88/29/883218829.db2.gz SHBONCSXPRFJNZ-SFHVURJKSA-N 0 0 384.545 3.770 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000804682073 883238924 /nfs/dbraw/zinc/23/89/24/883238924.db2.gz DGKLBBSXRGNKRJ-JOCHJYFZSA-N 0 0 393.531 3.759 20 10 GHCDRN CCN(CCc1ccccn1)C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC000858715308 883297175 /nfs/dbraw/zinc/29/71/75/883297175.db2.gz MJEPNAWFKZRYMG-UHFFFAOYSA-N 0 0 389.499 3.935 20 10 GHCDRN COc1ccc(C2(C(=O)NCc3cc(Br)ccc3O)CCC2)cc1 ZINC000804739504 883298796 /nfs/dbraw/zinc/29/87/96/883298796.db2.gz HORIOMLLGYWQLH-UHFFFAOYSA-N 0 0 390.277 3.901 20 10 GHCDRN CNC(=O)CC[C@@H]1CCCCN1C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000804741850 883302640 /nfs/dbraw/zinc/30/26/40/883302640.db2.gz VMPLOFXCWKCOPD-SFHVURJKSA-N 0 0 385.483 3.754 20 10 GHCDRN CC1CCN(c2cccc(NC(=O)c3ccc4c(c3)NC(=O)CCN4C)c2)CC1 ZINC000175111973 883305304 /nfs/dbraw/zinc/30/53/04/883305304.db2.gz FZVRSNABDGNMEG-UHFFFAOYSA-N 0 0 392.503 3.954 20 10 GHCDRN O=C(Cc1cc(Cl)cc2c1OCC2)NCc1cc(Br)ccc1O ZINC000804734385 883315634 /nfs/dbraw/zinc/31/56/34/883315634.db2.gz CYIAWJOXWAVARZ-UHFFFAOYSA-N 0 0 396.668 3.602 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)[C@H]1CCCc2c(O)cccc21 ZINC000804735308 883316213 /nfs/dbraw/zinc/31/62/13/883316213.db2.gz ULPOKPSJLIZQOC-HNNXBMFYSA-N 0 0 376.250 3.597 20 10 GHCDRN Cc1nn(-c2ccccc2)cc1C(=O)NCc1cc(Br)ccc1O ZINC000804735002 883317694 /nfs/dbraw/zinc/31/76/94/883317694.db2.gz HGYVANYRMPBMOJ-UHFFFAOYSA-N 0 0 386.249 3.579 20 10 GHCDRN CSc1ccc(C(=O)NCc2cc(Br)ccc2O)cc1[N+](=O)[O-] ZINC000804735023 883317752 /nfs/dbraw/zinc/31/77/52/883317752.db2.gz IBXGCBFHNURGNB-UHFFFAOYSA-N 0 0 397.250 3.715 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)c1nc(Cl)ccc1Cl ZINC000804737057 883320177 /nfs/dbraw/zinc/32/01/77/883320177.db2.gz BXSLHTJNNITCOL-UHFFFAOYSA-N 0 0 376.037 3.787 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)c1ccc(-c2cc[nH]n2)s1 ZINC000804736858 883320709 /nfs/dbraw/zinc/32/07/09/883320709.db2.gz BXZANLVHILVXRE-UHFFFAOYSA-N 0 0 378.251 3.536 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N[C@@H](c3ccccn3)C3CCC3)CC2)cc1 ZINC000858754208 883330257 /nfs/dbraw/zinc/33/02/57/883330257.db2.gz WEEVXJNVXKNJSY-JOCHJYFZSA-N 0 0 394.519 3.900 20 10 GHCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCc4cccc(C(F)(F)F)c4C3)cc2N1 ZINC000858799219 883361658 /nfs/dbraw/zinc/36/16/58/883361658.db2.gz DBHMIGNDJDIIGL-UHFFFAOYSA-N 0 0 393.321 3.507 20 10 GHCDRN CN(c1ccc(CNC(=O)Cn2ccc(C(F)F)n2)cc1)C1CCCCC1 ZINC000858830152 883386362 /nfs/dbraw/zinc/38/63/62/883386362.db2.gz RBKUBPWAYCVPAT-UHFFFAOYSA-N 0 0 376.451 3.906 20 10 GHCDRN O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000804858783 883438918 /nfs/dbraw/zinc/43/89/18/883438918.db2.gz HMYMRZHFFBJTAO-OAHLLOKOSA-N 0 0 398.290 3.928 20 10 GHCDRN Cc1cc(CNC(=O)N[C@H]2CCO[C@]3(CCSC3)C2)c(C)n1-c1ccccc1 ZINC000858905867 883445397 /nfs/dbraw/zinc/44/53/97/883445397.db2.gz KDGKIJDKIUDDKC-SIKLNZKXSA-N 0 0 399.560 3.948 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CC[C@@H](n3cncn3)C2)cc1 ZINC000777069010 883464115 /nfs/dbraw/zinc/46/41/15/883464115.db2.gz HYSBJTNUBDICIW-GOSISDBHSA-N 0 0 389.463 3.847 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)c1 ZINC000858930943 883472146 /nfs/dbraw/zinc/47/21/46/883472146.db2.gz OQVCPWOVUKDYDE-HXUWFJFHSA-N 0 0 376.460 3.997 20 10 GHCDRN C[C@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccns1 ZINC000858961430 883496088 /nfs/dbraw/zinc/49/60/88/883496088.db2.gz COMYQWQMAZCWMP-STQMWFEESA-N 0 0 396.463 3.774 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@]2(C1)OCc1ccccc12 ZINC000185589283 883560955 /nfs/dbraw/zinc/56/09/55/883560955.db2.gz VMSGCPUSAAEBTQ-HSZRJFAPSA-N 0 0 377.488 3.628 20 10 GHCDRN C[C@@H](NS(=O)(=O)Cc1cccc(Br)c1)c1ccc(N(C)C)cc1 ZINC000805066828 883572353 /nfs/dbraw/zinc/57/23/53/883572353.db2.gz AXWXSLKFSWJPPI-CYBMUJFWSA-N 0 0 397.338 3.696 20 10 GHCDRN O=S(=O)(NCc1cccc(Br)c1O)c1ccc(C(F)F)cc1 ZINC000805080806 883598221 /nfs/dbraw/zinc/59/82/21/883598221.db2.gz PZSKIAXEAGJMOE-UHFFFAOYSA-N 0 0 392.221 3.571 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000805152963 883628051 /nfs/dbraw/zinc/62/80/51/883628051.db2.gz TVRBSIFJXLKDCT-BBRMVZONSA-N 0 0 375.266 3.585 20 10 GHCDRN CCc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000175349405 883678191 /nfs/dbraw/zinc/67/81/91/883678191.db2.gz ZBQSCBIQHFPODD-SFHVURJKSA-N 0 0 384.432 3.684 20 10 GHCDRN CC(C)[C@H](NC(=O)NCCCSc1nccs1)c1nc(C2CC2)no1 ZINC000153189334 883704341 /nfs/dbraw/zinc/70/43/41/883704341.db2.gz WPGRLKQMGMFLGG-LBPRGKRZSA-N 0 0 381.527 3.582 20 10 GHCDRN Cc1cc(C(=O)NCCCSc2nccs2)c(C)n1C[C@H]1CCCOC1 ZINC000859350416 883767260 /nfs/dbraw/zinc/76/72/60/883767260.db2.gz AMRWZGKWCMWVGM-MRXNPFEDSA-N 0 0 393.578 3.900 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286460522 912757748 /nfs/dbraw/zinc/75/77/48/912757748.db2.gz XVWZHSXACBNAGG-KGLIPLIRSA-N 0 0 386.439 3.789 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)COc1ccc2ccc(=O)oc2c1 ZINC000914507004 883884478 /nfs/dbraw/zinc/88/44/78/883884478.db2.gz XIFPNJULGRHBBH-UHFFFAOYSA-N 0 0 394.471 3.675 20 10 GHCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cnc2ccnn2c1C(F)F ZINC001183733653 912762467 /nfs/dbraw/zinc/76/24/67/912762467.db2.gz MXSJJUSOMNZPMT-UHFFFAOYSA-N 0 0 385.418 3.587 20 10 GHCDRN Cc1cc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c(C)n1-c1ccccn1 ZINC000153239567 884234321 /nfs/dbraw/zinc/23/43/21/884234321.db2.gz YZHCZIMRLHEHST-UHFFFAOYSA-N 0 0 390.487 3.574 20 10 GHCDRN CCc1noc(CC)c1CNC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC000859983570 884240684 /nfs/dbraw/zinc/24/06/84/884240684.db2.gz XGDSDBLWSXNWOW-UHFFFAOYSA-N 0 0 393.487 3.878 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000860043265 884284658 /nfs/dbraw/zinc/28/46/58/884284658.db2.gz RJZCDNOZASLSPI-KSFYIVLOSA-N 0 0 390.487 3.826 20 10 GHCDRN CC[C@@H]([NH2+]Cc1cccc(S(=O)(=O)NC(C)C)c1)c1cccc(Cl)c1[O-] ZINC000806133205 884353520 /nfs/dbraw/zinc/35/35/20/884353520.db2.gz JAADDUZHVLKJHL-GOSISDBHSA-N 0 0 396.940 3.973 20 10 GHCDRN CC[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000806146569 884406359 /nfs/dbraw/zinc/40/63/59/884406359.db2.gz PDGXWKARVUMCJE-NWDGAFQWSA-N 0 0 385.213 3.903 20 10 GHCDRN CC[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000806146571 884406467 /nfs/dbraw/zinc/40/64/67/884406467.db2.gz PDGXWKARVUMCJE-RYUDHWBXSA-N 0 0 385.213 3.903 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCS[C@H]3COCC[C@@H]32)ccc1C ZINC000860225889 884448754 /nfs/dbraw/zinc/44/87/54/884448754.db2.gz QIEQJNJDSUKOOC-FPOVZHCZSA-N 0 0 398.528 3.562 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCS[C@H]3COCC[C@H]32)ccc1C ZINC000860225888 884449146 /nfs/dbraw/zinc/44/91/46/884449146.db2.gz QIEQJNJDSUKOOC-CTNGQTDRSA-N 0 0 398.528 3.562 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCS[C@@H]3COCC[C@H]32)ccc1C ZINC000860225891 884449206 /nfs/dbraw/zinc/44/92/06/884449206.db2.gz QIEQJNJDSUKOOC-TZIWHRDSSA-N 0 0 398.528 3.562 20 10 GHCDRN CCOc1cc(NC(=O)NCc2cc(Br)ccc2O)ccc1OC ZINC000806213096 884455187 /nfs/dbraw/zinc/45/51/87/884455187.db2.gz BINONIFDXDIJSJ-UHFFFAOYSA-N 0 0 395.253 3.884 20 10 GHCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000897813717 884459478 /nfs/dbraw/zinc/45/94/78/884459478.db2.gz YRMKNENGGYLUJI-QFIPXVFZSA-N 0 0 397.496 3.770 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)Nc1ccc(-c2ncon2)cc1 ZINC000806251168 884468844 /nfs/dbraw/zinc/46/88/44/884468844.db2.gz ORNUVDLFPFFNRH-UHFFFAOYSA-N 0 0 389.209 3.526 20 10 GHCDRN C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@H]1OCCc2sccc21 ZINC000897831651 884480989 /nfs/dbraw/zinc/48/09/89/884480989.db2.gz REXVUBHQHYPARJ-VVVCHXIZSA-N 0 0 375.471 3.806 20 10 GHCDRN CN(C)c1ccc(CNc2cnc(Br)cn2)c(C(F)(F)F)c1 ZINC000795795099 912833937 /nfs/dbraw/zinc/83/39/37/912833937.db2.gz GRCZTZPYIWQZDJ-UHFFFAOYSA-N 0 0 375.192 3.936 20 10 GHCDRN COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142527472 884542927 /nfs/dbraw/zinc/54/29/27/884542927.db2.gz VWKHZDNZRAPTBY-UYAOXDASSA-N 0 0 375.415 3.982 20 10 GHCDRN Cn1ccnc1-c1nnc(NCc2ccc3c(c2)CCN3Cc2ccccc2)o1 ZINC000795797021 912836160 /nfs/dbraw/zinc/83/61/60/912836160.db2.gz SFZITQZRNQEJBK-UHFFFAOYSA-N 0 0 386.459 3.645 20 10 GHCDRN CC(C)c1ccc([C@@H](NC(=O)C(=O)NCCc2ccc(N)cc2)C(C)C)cc1 ZINC000842037061 884626459 /nfs/dbraw/zinc/62/64/59/884626459.db2.gz UUBJCESEDCTXOX-NRFANRHFSA-N 0 0 381.520 3.564 20 10 GHCDRN Cn1cc(C[NH2+]Cc2cccc(Cl)c2[O-])c(-c2ccc3c(c2)OCCCO3)n1 ZINC000898219427 884636931 /nfs/dbraw/zinc/63/69/31/884636931.db2.gz GQIWPYHLFOVYTR-UHFFFAOYSA-N 0 0 399.878 3.897 20 10 GHCDRN CC(C)(C)[C@@H](NC(=O)NCc1cc(Br)ccc1O)C(F)(F)F ZINC000806434084 884672090 /nfs/dbraw/zinc/67/20/90/884672090.db2.gz BNOZLNXFSDCOQR-LLVKDONJSA-N 0 0 383.208 3.931 20 10 GHCDRN CN(C(=O)NCc1ccc(N2CCSCC2)cc1)C1CCC(F)(F)CC1 ZINC000806438443 884704652 /nfs/dbraw/zinc/70/46/52/884704652.db2.gz FBBVXTZGVJYVAX-UHFFFAOYSA-N 0 0 383.508 3.959 20 10 GHCDRN CCOC(=O)C[C@H](NC(=O)Cc1cc(C)n(-c2ccccc2)c1C)C(F)(F)F ZINC001130630479 884707855 /nfs/dbraw/zinc/70/78/55/884707855.db2.gz ZQZDNQWXWDNTMY-KRWDZBQOSA-N 0 0 396.409 3.637 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC[C@]2(C)CCCO)cc1 ZINC000860527197 884769005 /nfs/dbraw/zinc/76/90/05/884769005.db2.gz NXJZGZMHDKAVSF-HSZRJFAPSA-N 0 0 382.504 3.603 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])cn2C)c(C)n1-c1cccc(C)c1 ZINC000919027046 884776843 /nfs/dbraw/zinc/77/68/43/884776843.db2.gz OMGOWPQDSNAXGG-UHFFFAOYSA-N 0 0 395.415 3.689 20 10 GHCDRN Cc1cc(C(=O)OCC(=O)N(C)[C@H]2CCCC[C@H]2C)c(C)n1-c1ccccn1 ZINC000919076127 884846733 /nfs/dbraw/zinc/84/67/33/884846733.db2.gz CKZJPMVJGNIQBX-BEFAXECRSA-N 0 0 383.492 3.683 20 10 GHCDRN Cc1noc(C(C)(C)NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)n1 ZINC000806615617 884856791 /nfs/dbraw/zinc/85/67/91/884856791.db2.gz RECKSWMKILLRBU-UHFFFAOYSA-N 0 0 385.512 3.881 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC[C@H](OC(F)F)C1 ZINC000860702587 884930263 /nfs/dbraw/zinc/93/02/63/884930263.db2.gz DRCUXWMZKBXCKI-INIZCTEOSA-N 0 0 376.403 3.750 20 10 GHCDRN Cc1cc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c(C)n1-c1ccccn1 ZINC000914847029 884930555 /nfs/dbraw/zinc/93/05/55/884930555.db2.gz JWOQBVOAMLLBIP-OAHLLOKOSA-N 0 0 377.444 3.751 20 10 GHCDRN CN1CCCc2cc(CNC(=O)Nc3nc(C4CCOCC4)cs3)ccc21 ZINC000806725675 884937705 /nfs/dbraw/zinc/93/77/05/884937705.db2.gz FHHCXQVQLCLVKE-UHFFFAOYSA-N 0 0 386.521 3.741 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2nc(C3CCOCC3)cs2)c1 ZINC000806726883 884938981 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Cc1cc(N(C)C)ccc1CNC(=O)N(C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000806819282 885031797 /nfs/dbraw/zinc/03/17/97/885031797.db2.gz CWIYOFHDVTVHRK-OALUTQOASA-N 0 0 383.536 3.757 20 10 GHCDRN COc1ccc([C@@H](C)NC(=O)NCc2ccc(N(C)C)cc2C)c(C)c1OC ZINC000806821435 885035199 /nfs/dbraw/zinc/03/51/99/885035199.db2.gz MMBJHUAYWSPQLF-MRXNPFEDSA-N 0 0 385.508 3.947 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)c1 ZINC000761967258 885041223 /nfs/dbraw/zinc/04/12/23/885041223.db2.gz JLHDNBLHOCEKJC-OAHLLOKOSA-N 0 0 397.471 3.861 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000761974912 885062326 /nfs/dbraw/zinc/06/23/26/885062326.db2.gz ZFRDLWKQQZQXAF-SPLOXXLWSA-N 0 0 392.496 3.615 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](C)[C@@H](C)c2ccccc2)cc1 ZINC000806869164 885071082 /nfs/dbraw/zinc/07/10/82/885071082.db2.gz LYZSNDIFKBCDHK-MOPGFXCFSA-N 0 0 395.547 3.800 20 10 GHCDRN CC1(C)CCCC[C@@H]1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000806877306 885077115 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C[C@@H]1C[N@H+](Cc2cccc(Br)c2[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000862485331 886406713 /nfs/dbraw/zinc/40/67/13/886406713.db2.gz KSCWDTBLVVDZFC-TZMCWYRMSA-N 0 0 384.314 3.954 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(OCC(=O)OC)cc2)cc1 ZINC000915361650 886420397 /nfs/dbraw/zinc/42/03/97/886420397.db2.gz UKOITPMDJSSWKD-UHFFFAOYSA-N 0 0 399.491 3.749 20 10 GHCDRN CC(=O)C(=O)COC(=O)c1ccc(Oc2cccc(Br)c2)cc1 ZINC000808517274 886447761 /nfs/dbraw/zinc/44/77/61/886447761.db2.gz VVGPXFRWFYJUQR-UHFFFAOYSA-N 0 0 377.190 3.556 20 10 GHCDRN Cc1nc2sccn2c(=O)c1CCN1CCCc2cc(OC(F)F)ccc21 ZINC000795940232 913045681 /nfs/dbraw/zinc/04/56/81/913045681.db2.gz NTPVYSBLZRUZSO-UHFFFAOYSA-N 0 0 391.443 3.661 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)c1 ZINC000862759116 886587040 /nfs/dbraw/zinc/58/70/40/886587040.db2.gz WPCCWHMWHBAAAC-JBACZVJFSA-N 0 0 392.499 3.790 20 10 GHCDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NCc1cc(C)ccc1O)O[C@H](C)C2 ZINC000862760457 886587286 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COc1c(O)c(CN2CCCC[C@@H]2c2nc3ccccc3n2C)ccc1[N+](=O)[O-] ZINC000774849823 913787475 /nfs/dbraw/zinc/78/74/75/913787475.db2.gz LIVKWAUBBXPXKM-GOSISDBHSA-N 0 0 396.447 3.923 20 10 GHCDRN CCNC(=O)Nc1cccc(NCc2ccc(N3CCC(O)CC3)cc2)c1C ZINC000877485464 893640654 /nfs/dbraw/zinc/64/06/54/893640654.db2.gz VCDJFFCGQMEYTO-UHFFFAOYSA-N 0 0 382.508 3.710 20 10 GHCDRN Cn1nc(Br)cc1/C=C1\SC(=S)N(c2ccccc2)C1=O ZINC000778247482 893663592 /nfs/dbraw/zinc/66/35/92/893663592.db2.gz LPHLXBSVNNMGAE-XFFZJAGNSA-N 0 0 380.292 3.588 20 10 GHCDRN COc1cc(NCc2ccc(N3CCC(O)CC3)cc2)cc(Cl)c1OC ZINC000877611323 893717670 /nfs/dbraw/zinc/71/76/70/893717670.db2.gz ZUICFFGVPAKZRC-UHFFFAOYSA-N 0 0 376.884 3.930 20 10 GHCDRN CSc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000918454693 893719166 /nfs/dbraw/zinc/71/91/66/893719166.db2.gz BPDKCNKCOTXVPQ-UHFFFAOYSA-N 0 0 383.517 3.604 20 10 GHCDRN CCCc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000918457188 893735596 /nfs/dbraw/zinc/73/55/96/893735596.db2.gz 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893858612 /nfs/dbraw/zinc/85/86/12/893858612.db2.gz NGUZIQQLTIJROF-MRXNPFEDSA-N 0 0 397.313 3.563 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cc2ccc3c(c2)OCO3)cc1 ZINC000918562210 893990299 /nfs/dbraw/zinc/99/02/99/893990299.db2.gz FUTVGKPEPPGGBA-UHFFFAOYSA-N 0 0 392.455 3.846 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCC([C@H]3CCCO3)CC2)cc1F ZINC000187514968 894003282 /nfs/dbraw/zinc/00/32/82/894003282.db2.gz YRXFBNXBNLFUBI-HXUWFJFHSA-N 0 0 377.504 3.773 20 10 GHCDRN C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1cccc(C(F)(F)F)c1[O-] ZINC000815567445 894004694 /nfs/dbraw/zinc/00/46/94/894004694.db2.gz YKYOHUHDZDPIHB-CYBMUJFWSA-N 0 0 387.423 3.926 20 10 GHCDRN C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000815577706 894016928 /nfs/dbraw/zinc/01/69/28/894016928.db2.gz WRCOAYBZKIWDOE-WDEREUQCSA-N 0 0 391.336 3.780 20 10 GHCDRN C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000815578893 894019419 /nfs/dbraw/zinc/01/94/19/894019419.db2.gz ZSZHEGXFYAKXAP-GUYCJALGSA-N 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C[C@H]1CCC[C@@]1(O)CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000815872439 894266434 /nfs/dbraw/zinc/26/64/34/894266434.db2.gz JSHVZJVDKPKBJT-YCRPNKLZSA-N 0 0 380.448 3.708 20 10 GHCDRN CCn1cc(-c2n[nH]cc2C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000778330228 894471112 /nfs/dbraw/zinc/47/11/12/894471112.db2.gz ZWMMPRSJPQVTEO-UHFFFAOYSA-N 0 0 392.507 3.556 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)Cc1ccc2c(c1)OCO2 ZINC001135590864 894872245 /nfs/dbraw/zinc/87/22/45/894872245.db2.gz BQBKAKFMXVPKDX-UHFFFAOYSA-N 0 0 390.439 3.908 20 10 GHCDRN O=C([C@@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)c(F)cc1[O-])N1CCCC1 ZINC000816545052 894913743 /nfs/dbraw/zinc/91/37/43/894913743.db2.gz BLYDLQMQAIRRTQ-GOSISDBHSA-N 0 0 376.859 3.508 20 10 GHCDRN COc1ccc(NCc2ccc3ccccc3c2O)cc1OCC(=O)NC1CC1 ZINC000816522974 894920760 /nfs/dbraw/zinc/92/07/60/894920760.db2.gz XBJPGRUYJHPGQK-UHFFFAOYSA-N 0 0 392.455 3.824 20 10 GHCDRN O=C(Cc1ccccc1)N1CCC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816601128 894963942 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CN(C)c1ccc(CN(C(=O)CCc2nnc(C3CCCC3)o2)C2CC2)cc1 ZINC000760336637 895209982 /nfs/dbraw/zinc/20/99/82/895209982.db2.gz GWLOOCBDURYEJK-UHFFFAOYSA-N 0 0 382.508 3.917 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(F)c(NC(N)=O)c2)cc1 ZINC000879662533 895213152 /nfs/dbraw/zinc/21/31/52/895213152.db2.gz CJLQFYVUAOPOPX-UHFFFAOYSA-N 0 0 387.459 3.826 20 10 GHCDRN Cc1cc(CNC(=O)CNC(=O)c2cc(C)cc(C)c2)c(C)n1-c1ccccc1 ZINC001170859521 895432069 /nfs/dbraw/zinc/43/20/69/895432069.db2.gz VNPYNXWCFWHNBE-UHFFFAOYSA-N 0 0 389.499 3.757 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cc3sc(=O)n(C)c3cc2C)c1 ZINC000880083604 895502836 /nfs/dbraw/zinc/50/28/36/895502836.db2.gz ULBHRKILYNYTQQ-NSHDSACASA-N 0 0 387.461 3.505 20 10 GHCDRN CO[C@H](Cc1ccccc1)CS(=O)(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000817356518 895529419 /nfs/dbraw/zinc/52/94/19/895529419.db2.gz NMSQPOKAPLQGNA-QGZVFWFLSA-N 0 0 377.506 3.823 20 10 GHCDRN Cc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)nn1C(C)C ZINC000817386205 895559738 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CS[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000824683965 899764359 /nfs/dbraw/zinc/76/43/59/899764359.db2.gz ZDPONRWEQMSPIU-SNVBAGLBSA-N 0 0 381.133 3.855 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N(C)[C@@H]3CCc4ccccc43)C2)cc1 ZINC000824692962 899769084 /nfs/dbraw/zinc/76/90/84/899769084.db2.gz IPFIKEHNWMPOIS-VGOFRKELSA-N 0 0 379.504 3.850 20 10 GHCDRN COC(=O)[C@@H](c1cc(OC)ccc1Br)N(C)Cc1ccccc1O ZINC000824716100 899783370 /nfs/dbraw/zinc/78/33/70/899783370.db2.gz QKZNVPFAKYIQOM-QGZVFWFLSA-N 0 0 394.265 3.509 20 10 GHCDRN COc1c([O-])c(C[NH2+]CCc2c[nH]c3cc(Cl)ccc23)ccc1[N+](=O)[O-] ZINC000774987919 914381096 /nfs/dbraw/zinc/38/10/96/914381096.db2.gz DFIGBRGXFKHOAF-UHFFFAOYSA-N 0 0 375.812 3.776 20 10 GHCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ncnc3sccc32)cc1 ZINC000824776269 899800685 /nfs/dbraw/zinc/80/06/85/899800685.db2.gz GXZSXPKVJRTMEW-KRWDZBQOSA-N 0 0 396.516 3.579 20 10 GHCDRN Cc1ccccc1[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000805875918 899805502 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ZINC001144000407 900907603 /nfs/dbraw/zinc/90/76/03/900907603.db2.gz URSUFYPMPFHQOI-UHFFFAOYSA-N 0 0 395.425 3.680 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1 ZINC000844499609 900942131 /nfs/dbraw/zinc/94/21/31/900942131.db2.gz RJUQBXIOWHBBFC-UHFFFAOYSA-N 0 0 398.507 3.890 20 10 GHCDRN C[C@@H](NC(=O)NCCCSc1nccs1)c1noc(-c2ccccc2)n1 ZINC000137889334 900987136 /nfs/dbraw/zinc/98/71/36/900987136.db2.gz PNOGIPLEMFCFRE-GFCCVEGCSA-N 0 0 389.506 3.736 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](c1nccn1C)c1cccc(F)c1 ZINC000066698305 901018544 /nfs/dbraw/zinc/01/85/44/901018544.db2.gz HQCUYZDKHDNQES-HXUWFJFHSA-N 0 0 396.466 3.976 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2cccc(C(F)(F)F)n2)cc1 ZINC000844614741 901078542 /nfs/dbraw/zinc/07/85/42/901078542.db2.gz HYNALEVJQLFACT-UHFFFAOYSA-N 0 0 382.386 3.709 20 10 GHCDRN COc1c([O-])c(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000775014098 914513111 /nfs/dbraw/zinc/51/31/11/914513111.db2.gz YLSTUKFCEWBIQL-UHFFFAOYSA-N 0 0 385.464 3.835 20 10 GHCDRN C[C@H]([NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1c([O-])cccc1F ZINC000886612274 901191007 /nfs/dbraw/zinc/19/10/07/901191007.db2.gz HPURXPNQIOGJEI-AWEZNQCLSA-N 0 0 397.450 3.751 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc1 ZINC000844782223 901264425 /nfs/dbraw/zinc/26/44/25/901264425.db2.gz QNZXAZHPTSENNY-FKBYEOEOSA-N 0 0 379.504 3.957 20 10 GHCDRN C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1ccc(NC(=O)NC2CC2)cc1 ZINC000047129020 901425584 /nfs/dbraw/zinc/42/55/84/901425584.db2.gz MNRJNTMFZXNVAS-CQSZACIVSA-N 0 0 382.464 3.579 20 10 GHCDRN CCN(CC)C(=O)c1ccc(CNC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC000844873953 901504202 /nfs/dbraw/zinc/50/42/02/901504202.db2.gz WHQAEIIKPTXVAI-UHFFFAOYSA-N 0 0 389.883 3.527 20 10 GHCDRN CC[C@H](C)NC(=O)c1cccc(CNC(=O)NCc2cc(Cl)ccc2O)c1 ZINC000844879720 901516326 /nfs/dbraw/zinc/51/63/26/901516326.db2.gz FEHZLPGFSKHRIL-ZDUSSCGKSA-N 0 0 389.883 3.573 20 10 GHCDRN CN(C)c1ccc(C[NH2+]C[C@](C)(C(=O)[O-])c2ccccc2)c(C(F)(F)F)c1 ZINC000844939754 901564498 /nfs/dbraw/zinc/56/44/98/901564498.db2.gz QPHDJUJQURUVEF-IBGZPJMESA-N 0 0 380.410 3.904 20 10 GHCDRN C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1cc(Br)c(F)cc1[O-] ZINC001144292545 901621496 /nfs/dbraw/zinc/62/14/96/901621496.db2.gz FJXXLXPEVBFLLU-UHFFFAOYSA-N 0 0 391.281 3.640 20 10 GHCDRN CCc1noc([C@H]2CCC[N@H+](Cc3cc(Br)c(F)cc3[O-])C2)n1 ZINC001144306951 901687552 /nfs/dbraw/zinc/68/75/52/901687552.db2.gz XVKINKWZLAVWBL-JTQLQIEISA-N 0 0 384.249 3.619 20 10 GHCDRN Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(Br)c1 ZINC000121954110 901706842 /nfs/dbraw/zinc/70/68/42/901706842.db2.gz LJKJAQDRDVLQRG-UHFFFAOYSA-N 0 0 389.293 3.524 20 10 GHCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000778927032 901736517 /nfs/dbraw/zinc/73/65/17/901736517.db2.gz JFLIJCXGUAVUFS-UHFFFAOYSA-N 0 0 393.399 3.548 20 10 GHCDRN CC(C)(C)OC(=O)Nc1cc(C(=O)NCc2ccc(O)c(O)c2)ccc1F ZINC000778928722 901744928 /nfs/dbraw/zinc/74/49/28/901744928.db2.gz AXZHYSZCMOZEDY-UHFFFAOYSA-N 0 0 376.384 3.514 20 10 GHCDRN COc1cc(C(=O)NCc2ccc(O)c(O)c2)ccc1OCc1ccccc1 ZINC000778926664 901754095 /nfs/dbraw/zinc/75/40/95/901754095.db2.gz XEOLZKAKNPQEGD-UHFFFAOYSA-N 0 0 379.412 3.615 20 10 GHCDRN Cc1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(F)c1 ZINC000047337913 901880107 /nfs/dbraw/zinc/88/01/07/901880107.db2.gz DFTLCHNNIALTFZ-UHFFFAOYSA-N 0 0 375.419 3.556 20 10 GHCDRN Cc1ncc2n1C[C@H](C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1)CC2 ZINC000845168510 901884272 /nfs/dbraw/zinc/88/42/72/901884272.db2.gz FFFBRQLFCUGIDD-LJQANCHMSA-N 0 0 392.503 3.642 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H](c1ccccc1F)[C@H](C)O ZINC000845263707 901984016 /nfs/dbraw/zinc/98/40/16/901984016.db2.gz ZWRQZYQDRAAEHF-CKJXQJPGSA-N 0 0 387.499 3.552 20 10 GHCDRN CC(=O)Nc1cc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)ccc1C ZINC000123879973 901991901 /nfs/dbraw/zinc/99/19/01/901991901.db2.gz UEUFTXJICWENDC-UHFFFAOYSA-N 0 0 376.478 3.892 20 10 GHCDRN Oc1ccc(Br)cc1CNc1nc(Cl)ccc1C1OCCO1 ZINC001171174220 902013398 /nfs/dbraw/zinc/01/33/98/902013398.db2.gz NMUCDUWLTDOVMN-UHFFFAOYSA-N 0 0 385.645 3.861 20 10 GHCDRN CCOC(=O)c1cc(NCc2cc(Br)ccc2O)cnc1OCC ZINC001171177875 902089011 /nfs/dbraw/zinc/08/90/11/902089011.db2.gz LRODJHZLVAIVOA-UHFFFAOYSA-N 0 0 395.253 3.737 20 10 GHCDRN COc1nc(NCc2cc(Br)ccc2O)ccc1-n1cnc(C)c1 ZINC001171175883 902092409 /nfs/dbraw/zinc/09/24/09/902092409.db2.gz SNDGYHWGXLXAIR-UHFFFAOYSA-N 0 0 389.253 3.665 20 10 GHCDRN C[C@@H](O)[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1F ZINC000846019026 902602825 /nfs/dbraw/zinc/60/28/25/902602825.db2.gz XHVFCKBCUJOSJG-VFNWGFHPSA-N 0 0 387.455 3.936 20 10 GHCDRN CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])c2ccccc21 ZINC000846081774 902654057 /nfs/dbraw/zinc/65/40/57/902654057.db2.gz NGSDTMXQZZGTIY-ROUUACIJSA-N 0 0 384.432 3.960 20 10 GHCDRN COC(=O)[C@H](NCc1cc(-c2ccccc2)ccc1O)[C@H]1CCC[C@H](OC)C1 ZINC000846108758 902684343 /nfs/dbraw/zinc/68/43/43/902684343.db2.gz RFPNJJSPKVLHFR-RCZSKKKRSA-N 0 0 383.488 3.896 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1cc(Br)cc(F)c1[O-] ZINC000846216910 902792944 /nfs/dbraw/zinc/79/29/44/902792944.db2.gz XPLKFMAWCNJBEK-BMIGLBTASA-N 0 0 395.272 3.721 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(C)c(OC)cc2C)cc1 ZINC000772937324 902998091 /nfs/dbraw/zinc/99/80/91/902998091.db2.gz HIGZVFQCYHLGSS-UHFFFAOYSA-N 0 0 397.519 3.755 20 10 GHCDRN O=C(/C=C/c1ccccc1)N1CCC(C(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000846479321 903004965 /nfs/dbraw/zinc/00/49/65/903004965.db2.gz KIFBAKNHNGGYLU-RMKNXTFCSA-N 0 0 398.890 3.614 20 10 GHCDRN CCN(CC)c1ccc(CNc2cc(-c3cccnc3)nn2CCO)cc1F ZINC000775042346 914689926 /nfs/dbraw/zinc/68/99/26/914689926.db2.gz YBDUWQMVHICTDH-UHFFFAOYSA-N 0 0 383.471 3.535 20 10 GHCDRN CO[C@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1Br ZINC000846785659 903200841 /nfs/dbraw/zinc/20/08/41/903200841.db2.gz JKDLZNVBAPEDHK-KRWDZBQOSA-N 0 0 377.282 3.519 20 10 GHCDRN C/C(=C/c1ccco1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000846822271 903243200 /nfs/dbraw/zinc/24/32/00/903243200.db2.gz VMVXCNTWUIBEDR-KAMYIIQDSA-N 0 0 394.393 3.855 20 10 GHCDRN C/C(=C\c1ccccn1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000846864191 903247937 /nfs/dbraw/zinc/24/79/37/903247937.db2.gz CAIKUVNOIQMILE-CCEZHUSRSA-N 0 0 387.430 3.872 20 10 GHCDRN CCC(CC)NC(=O)[C@@H]1CN(C(=O)/C(C)=C\c2cccnc2)c2ccccc2O1 ZINC000846848707 903267516 /nfs/dbraw/zinc/26/75/16/903267516.db2.gz SWDAALRNSOAPOT-XHVGKJTDSA-N 0 0 393.487 3.584 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)[C@@H]3CCCc4ccc(OC)cc43)CC2)cc1 ZINC000846853693 903270621 /nfs/dbraw/zinc/27/06/21/903270621.db2.gz HVEAHIHNGDLEOG-JOCHJYFZSA-N 0 0 394.515 3.909 20 10 GHCDRN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000187562011 903278862 /nfs/dbraw/zinc/27/88/62/903278862.db2.gz YKDLTGMGKGTUDQ-UXHICEINSA-N 0 0 391.581 3.633 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000775039859 914706551 /nfs/dbraw/zinc/70/65/51/914706551.db2.gz VNGNJQVNURKHQW-QGZVFWFLSA-N 0 0 389.499 3.708 20 10 GHCDRN Cn1c(C(=O)NCc2cc(Cl)ccc2O)cc2cc(Br)cnc21 ZINC001146246700 903476451 /nfs/dbraw/zinc/47/64/51/903476451.db2.gz CYKVXYNJIHMENF-UHFFFAOYSA-N 0 0 394.656 3.625 20 10 GHCDRN Cc1cc(Br)cc(C)c1NC(=O)NCCCN1CCCCCC1=O ZINC000048464126 903619276 /nfs/dbraw/zinc/61/92/76/903619276.db2.gz JFYYURQNFCHIBR-UHFFFAOYSA-N 0 0 396.329 3.980 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)c1 ZINC001147957219 903933091 /nfs/dbraw/zinc/93/30/91/903933091.db2.gz OGLVUQOLIMXBFJ-UHFFFAOYSA-N 0 0 390.468 3.940 20 10 GHCDRN Cc1cc(=O)cc(C)n1CCCC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000290645130 914770588 /nfs/dbraw/zinc/77/05/88/914770588.db2.gz BKEKFFUCOJKZNI-UHFFFAOYSA-N 0 0 395.547 3.798 20 10 GHCDRN C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000151578769 904160858 /nfs/dbraw/zinc/16/08/58/904160858.db2.gz SXKCPAWDDGLNPO-KRWDZBQOSA-N 0 0 382.504 3.517 20 10 GHCDRN CCC(=O)c1cccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000152721712 904294806 /nfs/dbraw/zinc/29/48/06/904294806.db2.gz 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/nfs/dbraw/zinc/50/99/72/904509972.db2.gz VIKQLWKEKBUBLM-QGZVFWFLSA-N 0 0 394.519 3.549 20 10 GHCDRN O=c1ncc(NCc2cc3ccccc3cc2O)cn1Cc1ccc(F)cc1 ZINC001171407135 904522307 /nfs/dbraw/zinc/52/23/07/904522307.db2.gz LHYZJQHZQOOLHB-UHFFFAOYSA-N 0 0 375.403 3.902 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)Nc2c(F)cccc2OC2COC2)c1 ZINC001186848840 914820733 /nfs/dbraw/zinc/82/07/33/914820733.db2.gz HYRZDDWESALZJJ-UHFFFAOYSA-N 0 0 396.418 3.969 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1(NC(=O)OC(C)(C)C)CC1 ZINC000160030476 904555715 /nfs/dbraw/zinc/55/57/15/904555715.db2.gz GFOPURBRFVDBSL-UHFFFAOYSA-N 0 0 387.524 3.693 20 10 GHCDRN CCC(CC)C(=O)N1CCC(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773212741 904575831 /nfs/dbraw/zinc/57/58/31/904575831.db2.gz VVEZIGKGLSUUOK-MRXNPFEDSA-N 0 0 388.556 3.540 20 10 GHCDRN Cc1cc(C)n(-c2ccc(C(=O)NCc3ccc(N(C)C)c(F)c3)cc2F)n1 ZINC000303449254 914826287 /nfs/dbraw/zinc/82/62/87/914826287.db2.gz JYOIQZBPTUGQEV-UHFFFAOYSA-N 0 0 384.430 3.763 20 10 GHCDRN 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CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](COC)c1ccco1 ZINC000175719661 905644542 /nfs/dbraw/zinc/64/45/42/905644542.db2.gz WBCZFLQWRXXXEJ-AWEZNQCLSA-N 0 0 397.269 3.667 20 10 GHCDRN CC(C)c1snnc1-c1nc(-c2ccn3c(Br)cnc3c2)no1 ZINC001212687179 905901245 /nfs/dbraw/zinc/90/12/45/905901245.db2.gz GCBDUNXYCOHZOU-UHFFFAOYSA-N 0 0 391.254 3.789 20 10 GHCDRN CC(C)(C)c1ncsc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000176866843 905968914 /nfs/dbraw/zinc/96/89/14/905968914.db2.gz WPBTWKMNTWCDNI-UHFFFAOYSA-N 0 0 387.549 3.579 20 10 GHCDRN Cc1ccc(SCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000299177308 921237096 /nfs/dbraw/zinc/23/70/96/921237096.db2.gz YAPYTPUGJSOYBU-UHFFFAOYSA-N 0 0 388.508 3.504 20 10 GHCDRN CC[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(OC)cc1 ZINC000179620275 906543842 /nfs/dbraw/zinc/54/38/42/906543842.db2.gz QJQDLJXXJDKTRB-QFIPXVFZSA-N 0 0 382.504 3.684 20 10 GHCDRN CN(c1ccccc1F)c1cc2[nH]c(=O)n(-c3ccc(N)cc3)c(=O)c2cc1F ZINC001173846490 906719659 /nfs/dbraw/zinc/71/96/59/906719659.db2.gz IETIUMRVRPJPQG-UHFFFAOYSA-N 0 0 394.381 3.720 20 10 GHCDRN CC[C@H]1C[C@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 ZINC000180308697 906744550 /nfs/dbraw/zinc/74/45/50/906744550.db2.gz WSPQGSLZWYQDGF-INMHGKMJSA-N 0 0 382.451 3.578 20 10 GHCDRN COc1ccc(Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)cc1OC ZINC001173889428 906747217 /nfs/dbraw/zinc/74/72/17/906747217.db2.gz FRHPIEPTIXBBLO-UHFFFAOYSA-N 0 0 375.380 3.928 20 10 GHCDRN NC(=O)c1ccc(Nc2ccc(OCCCOc3ccc(N)cc3)cc2)cc1 ZINC001174049897 906778252 /nfs/dbraw/zinc/77/82/52/906778252.db2.gz LBWROQCWQAERIR-UHFFFAOYSA-N 0 0 377.444 3.959 20 10 GHCDRN COc1cccc2[nH]cc(CCNC(=O)NCc3c(O)ccc4c3CCCC4)c21 ZINC000779406916 906824593 /nfs/dbraw/zinc/82/45/93/906824593.db2.gz NJUUMRDFWHENEO-UHFFFAOYSA-N 0 0 393.487 3.803 20 10 GHCDRN CCn1cc(NC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)ccc1=O ZINC000299262257 921271962 /nfs/dbraw/zinc/27/19/62/921271962.db2.gz HDTMFNQZLCIFDT-UHFFFAOYSA-N 0 0 394.475 3.762 20 10 GHCDRN CCc1nn(C)c(CC)c1CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000191476220 907027725 /nfs/dbraw/zinc/02/77/25/907027725.db2.gz UUMOBFHPMQFKFA-UHFFFAOYSA-N 0 0 382.552 3.640 20 10 GHCDRN CCc1nc2ccc(C(=O)N[C@H]3c4c(c(C)cc(C)c4O)CC3(C)C)cn2n1 ZINC001174676167 907141192 /nfs/dbraw/zinc/14/11/92/907141192.db2.gz VRBVNNZPCOSFMU-FQEVSTJZSA-N 0 0 378.476 3.668 20 10 GHCDRN Cc1ccc(C[C@H](C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000182244041 907167793 /nfs/dbraw/zinc/16/77/93/907167793.db2.gz CEWMQXSFWSTLBF-KRWDZBQOSA-N 0 0 384.495 3.590 20 10 GHCDRN CNS(=O)(=O)c1cccc(Nc2ccccc2C(=O)c2ccc(F)cc2)c1 ZINC001174727164 907175210 /nfs/dbraw/zinc/17/52/10/907175210.db2.gz KSDRKBCTFMKTPS-UHFFFAOYSA-N 0 0 384.432 3.708 20 10 GHCDRN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)N2Cc3cccc(O)c3C2)CC1=O ZINC001175029650 907342235 /nfs/dbraw/zinc/34/22/35/907342235.db2.gz JLSYZMAUYFDDDF-NVXWUHKLSA-N 0 0 378.472 3.801 20 10 GHCDRN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)N2Cc3cccc(O)c3C2)CC1=O ZINC001175029652 907343185 /nfs/dbraw/zinc/34/31/85/907343185.db2.gz JLSYZMAUYFDDDF-WBVHZDCISA-N 0 0 378.472 3.801 20 10 GHCDRN CCN(Cc1cccc(Br)c1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779500784 907348415 /nfs/dbraw/zinc/34/84/15/907348415.db2.gz TWRBWLWUWJZQME-VQHVLOKHSA-N 0 0 376.250 3.922 20 10 GHCDRN CSCCOC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000773480921 907463560 /nfs/dbraw/zinc/46/35/60/907463560.db2.gz PCLHKYQUWCBCPG-BENRWUELSA-N 0 0 387.573 3.636 20 10 GHCDRN CCOc1ccc(N(CC(=O)c2[nH]c(C)c(C(=O)OC)c2C)CC2CC2)cc1 ZINC001175372733 907524050 /nfs/dbraw/zinc/52/40/50/907524050.db2.gz ZVAPDCTYZUWTOD-UHFFFAOYSA-N 0 0 384.476 3.916 20 10 GHCDRN COc1cc(Nc2c(CC(N)=O)cccc2C(=O)c2ccccc2)ccc1F ZINC001175400177 907534449 /nfs/dbraw/zinc/53/44/49/907534449.db2.gz QDJYCUSNBBOBTQ-UHFFFAOYSA-N 0 0 378.403 3.837 20 10 GHCDRN Cc1cc(Br)cc2c1CN(C(=O)/C=C\c1ccc(O)c(O)c1)CC2 ZINC000779546334 907556632 /nfs/dbraw/zinc/55/66/32/907556632.db2.gz WUEMNINWXRDTGQ-HYXAFXHYSA-N 0 0 388.261 3.767 20 10 GHCDRN COc1ccc(N2CCN(Cc3noc4c3CC(C)(C)CC4)CC2)c(OC)c1 ZINC001175522991 907601456 /nfs/dbraw/zinc/60/14/56/907601456.db2.gz OEKHLPSFOXRRMI-UHFFFAOYSA-N 0 0 385.508 3.529 20 10 GHCDRN CC(C)c1cccc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000773515264 907673769 /nfs/dbraw/zinc/67/37/69/907673769.db2.gz DFLBODQJEHSSDI-UHFFFAOYSA-N 0 0 381.520 3.988 20 10 GHCDRN CC(C)c1csc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)n1 ZINC000192617957 907786491 /nfs/dbraw/zinc/78/64/91/907786491.db2.gz CJWWJOVEBAODQJ-UHFFFAOYSA-N 0 0 399.472 3.733 20 10 GHCDRN CC(C)Oc1ccc(N(C)S(=O)(=O)CCc2ccc(N)cc2)cc1Cl ZINC001175874237 907812318 /nfs/dbraw/zinc/81/23/18/907812318.db2.gz UNWNFVURBBHQST-UHFFFAOYSA-N 0 0 382.913 3.718 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1 ZINC000192757179 907882073 /nfs/dbraw/zinc/88/20/73/907882073.db2.gz ODHGPXQSFXGHRX-JOCHJYFZSA-N 0 0 384.476 3.791 20 10 GHCDRN CO[C@@H]1COCC[C@H]1N(C)C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001176083423 907906685 /nfs/dbraw/zinc/90/66/85/907906685.db2.gz JXHRAEIDQAXHTG-RTBURBONSA-N 0 0 376.884 3.623 20 10 GHCDRN Cc1ccc(S(=O)(=O)N(c2ccc(N)cc2)c2ccc3nonc3c2)cc1 ZINC001176325694 908036781 /nfs/dbraw/zinc/03/67/81/908036781.db2.gz IYVXMKVJJCVAFC-UHFFFAOYSA-N 0 0 380.429 3.640 20 10 GHCDRN Cc1cc(CC(=O)N2CCc3nc(N(C)C)sc3C2)c(C)n1-c1ccccc1 ZINC001176716021 908242874 /nfs/dbraw/zinc/24/28/74/908242874.db2.gz BJRQHQHFTHINQU-UHFFFAOYSA-N 0 0 394.544 3.744 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cc(COC(C)(C)C)on1 ZINC000188983783 908269456 /nfs/dbraw/zinc/26/94/56/908269456.db2.gz KRRWOHIRRMKLQS-UHFFFAOYSA-N 0 0 388.512 3.787 20 10 GHCDRN Cc1nn(CC(=O)N(Cc2ccccc2)c2ccc(N)cc2)cc1Br ZINC001177017419 908364092 /nfs/dbraw/zinc/36/40/92/908364092.db2.gz XIRSDNDYNSNZHG-UHFFFAOYSA-N 0 0 399.292 3.770 20 10 GHCDRN C[C@H](NC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1)c1ccc(N(C)C)cc1 ZINC000773614889 908415875 /nfs/dbraw/zinc/41/58/75/908415875.db2.gz UHJQHCXUOHGHQN-HOCLYGCPSA-N 0 0 388.462 3.670 20 10 GHCDRN COc1cc2c(cc1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)O[C@@H](C)C2 ZINC000773616095 908419117 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20 10 GHCDRN CC(C)c1nnc2ccc(NC(=O)NCCCSc3nccs3)cn21 ZINC000801741374 921441441 /nfs/dbraw/zinc/44/14/41/921441441.db2.gz JESQDLOKKZVTBB-UHFFFAOYSA-N 0 0 376.511 3.613 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000194014647 908837267 /nfs/dbraw/zinc/83/72/67/908837267.db2.gz HNXUEFLCCNGYHR-UHFFFAOYSA-N 0 0 377.847 3.532 20 10 GHCDRN CN(C)c1ccc(CNC(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)cc1F ZINC000194673450 908909857 /nfs/dbraw/zinc/90/98/57/908909857.db2.gz XEOOWSCWRKNSHH-WIYYLYMNSA-N 0 0 385.483 3.859 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(Cl)c2ccccc2n1 ZINC000773727770 908956265 /nfs/dbraw/zinc/95/62/65/908956265.db2.gz WXYLBHCKNWVLAU-UHFFFAOYSA-N 0 0 395.890 3.997 20 10 GHCDRN C/C(=C\C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(F)cc1 ZINC000195026035 908956378 /nfs/dbraw/zinc/95/63/78/908956378.db2.gz GCEXUROPZMEVAB-SAPNQHFASA-N 0 0 382.479 3.754 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N(C)Cc2ncc(C)c(OC)c2C)cc1 ZINC000195150159 908972360 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C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(Cl)c(Br)c1 ZINC000773762271 909170583 /nfs/dbraw/zinc/17/05/83/909170583.db2.gz MPBUHAWJYAKOPY-VIFPVBQESA-N 0 0 384.657 3.875 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(OCCC(=O)OC)cc1 ZINC000266503905 909199867 /nfs/dbraw/zinc/19/98/67/909199867.db2.gz ZOOIJBFEXGADKD-UHFFFAOYSA-N 0 0 386.448 3.778 20 10 GHCDRN Cc1ccc(C(=O)NCc2c(O)cccc2O)cc1NC(=O)c1ccccc1 ZINC001178912401 909312284 /nfs/dbraw/zinc/31/22/84/909312284.db2.gz SQILJIGGTGHKQV-UHFFFAOYSA-N 0 0 376.412 3.589 20 10 GHCDRN O=C(NCc1c(O)ccc2ccccc21)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC001179033597 909368383 /nfs/dbraw/zinc/36/83/83/909368383.db2.gz ZTYRGRMPHQBGNK-UHFFFAOYSA-N 0 0 395.846 3.658 20 10 GHCDRN C[C@@H]1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C[C@H]1C ZINC000267762669 909626903 /nfs/dbraw/zinc/62/69/03/909626903.db2.gz YXWHFMVISNQAAU-CJJNDWFMSA-N 0 0 394.587 3.844 20 10 GHCDRN COc1cccc(CC(=O)n2c(=N)ccc(/N=N/c3ccccc3)c2N)c1OC ZINC001179962661 909869827 /nfs/dbraw/zinc/86/98/27/909869827.db2.gz XZYMUHCINKJFJU-CWVRCJGXSA-N 0 0 391.431 3.865 20 10 GHCDRN O=C(N[C@@H]1CCCN(Cc2ccc(Br)cc2O)C1)c1ccccc1 ZINC001180092568 909913181 /nfs/dbraw/zinc/91/31/81/909913181.db2.gz MHNPULBKUXQSEJ-QGZVFWFLSA-N 0 0 389.293 3.549 20 10 GHCDRN CN(C)c1ccc(/C=C/C(=O)N[C@H](C(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC001180122113 909969742 /nfs/dbraw/zinc/96/97/42/909969742.db2.gz IBXIMOOHMCOMER-WMJZSHNHSA-N 0 0 380.488 3.965 20 10 GHCDRN CN(C)c1ccc(/C=C/C(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)cc1 ZINC001180125703 909972709 /nfs/dbraw/zinc/97/27/09/909972709.db2.gz NDDMRGHBNOBVQL-VKMFJKSESA-N 0 0 389.499 3.562 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 ZINC000795344894 910005846 /nfs/dbraw/zinc/00/58/46/910005846.db2.gz JQDMMQVQIVZENI-SFHVURJKSA-N 0 0 380.410 3.901 20 10 GHCDRN C[C@H](NC(=O)C(=O)Nc1cnc(-c2ccccc2)s1)c1ccc(N(C)C)cc1 ZINC000773844947 910048476 /nfs/dbraw/zinc/04/84/76/910048476.db2.gz FDCOCNYAYKXZJS-AWEZNQCLSA-N 0 0 394.500 3.692 20 10 GHCDRN Cc1oc(C(C)C)nc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000795361152 910052131 /nfs/dbraw/zinc/05/21/31/910052131.db2.gz UXXSATHMXFVUPV-KBPBESRZSA-N 0 0 389.471 3.789 20 10 GHCDRN COc1ccc(C(C)(C)C)cc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773854975 910115890 /nfs/dbraw/zinc/11/58/90/910115890.db2.gz DIQCTGSOLMKJMU-OAHLLOKOSA-N 0 0 397.519 3.875 20 10 GHCDRN C[C@@H](NC(=O)C(=O)Nc1ccccc1OC1CCCC1)c1ccc(N(C)C)cc1 ZINC000773858040 910151539 /nfs/dbraw/zinc/15/15/39/910151539.db2.gz NVTDWQFCTZSQRD-MRXNPFEDSA-N 0 0 395.503 3.890 20 10 GHCDRN CC(C)(C)OC(=O)/C=C\c1cc(C(=O)NCc2cccc(Cl)c2O)co1 ZINC001180419913 910157042 /nfs/dbraw/zinc/15/70/42/910157042.db2.gz FPWLIGWBKHNNOX-FPLPWBNLSA-N 0 0 377.824 3.924 20 10 GHCDRN CCCOc1cc(C)ccc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773859538 910159459 /nfs/dbraw/zinc/15/94/59/910159459.db2.gz VJHWQGZEWHQGIZ-INIZCTEOSA-N 0 0 383.492 3.666 20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)c3ccc(N)cc3Cl)cc2F)C[C@H](C)O1 ZINC000269251352 910195139 /nfs/dbraw/zinc/19/51/39/910195139.db2.gz PRGWFQKRSGYXPA-STQMWFEESA-N 0 0 391.874 3.605 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3cscc3Br)CC2)cc1 ZINC000795397645 910198551 /nfs/dbraw/zinc/19/85/51/910198551.db2.gz GHSPMFJRGYVTHB-UHFFFAOYSA-N 0 0 395.322 3.872 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)NC3(C)CCC4(CC3)OCCO4)c2C)cc1 ZINC001180544203 910231215 /nfs/dbraw/zinc/23/12/15/910231215.db2.gz XJYHGGBTXSYWGC-UHFFFAOYSA-N 0 0 398.503 3.908 20 10 GHCDRN CCOC(=O)N1CCC(C(=O)N[C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)CC1 ZINC001180834213 910368939 /nfs/dbraw/zinc/36/89/39/910368939.db2.gz VVIYDDYUZDNOQI-LJQANCHMSA-N 0 0 388.508 3.617 20 10 GHCDRN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ncc(Br)s1 ZINC000270118631 910446933 /nfs/dbraw/zinc/44/69/33/910446933.db2.gz GAQYHCCOLKPXJN-LBPRGKRZSA-N 0 0 382.327 3.593 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)CCCNC(=O)c1ccccc1 ZINC001180962451 910460103 /nfs/dbraw/zinc/46/01/03/910460103.db2.gz JTMGUYMMLIOVSJ-JOCHJYFZSA-N 0 0 394.515 3.959 20 10 GHCDRN C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[N@@H+]2Cc2ccc(F)c(F)c2[O-])C1 ZINC001181622216 910885672 /nfs/dbraw/zinc/88/56/72/910885672.db2.gz RPQKDWDXGJGLOS-GDBMZVCRSA-N 0 0 382.451 3.893 20 10 GHCDRN Cc1cc(C)c(CNC(=O)C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)c(O)c1 ZINC001181626823 910889022 /nfs/dbraw/zinc/88/90/22/910889022.db2.gz JHKNLXGMXRWBFQ-WBVHZDCISA-N 0 0 394.487 3.610 20 10 GHCDRN Cc1nn(C)c(C)c1NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000271489139 910926671 /nfs/dbraw/zinc/92/66/71/910926671.db2.gz JPLCVBGGLMJDOD-UHFFFAOYSA-N 0 0 381.480 3.930 20 10 GHCDRN CCc1nn(C)cc1NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000271543472 910949970 /nfs/dbraw/zinc/94/99/70/910949970.db2.gz IFIGOUJMVLLMLF-UHFFFAOYSA-N 0 0 381.480 3.876 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)/C(=C\c2cccs2)NC(C)=O)cc1F ZINC000817531079 910999156 /nfs/dbraw/zinc/99/91/56/910999156.db2.gz DOKFZQCYZPLFPN-LDADJPATSA-N 0 0 389.496 3.527 20 10 GHCDRN Nc1ccc(N(Cc2ccccc2)C(=O)[C@@H]2CCC(=O)N2c2ccccc2)cc1 ZINC001181933280 911087569 /nfs/dbraw/zinc/08/75/69/911087569.db2.gz FCPQNIZPELODSX-QFIPXVFZSA-N 0 0 385.467 3.998 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H]1CCC(=O)N1c1ccccc1 ZINC001181953515 911100106 /nfs/dbraw/zinc/10/01/06/911100106.db2.gz ZEPLOWVVEKALTF-GCJKJVERSA-N 0 0 392.499 3.944 20 10 GHCDRN Cc1cccc(C)c1NC(=O)[C@@H]1CCCCN1C(=O)CCc1ccc(O)c(O)c1 ZINC001182153652 911212422 /nfs/dbraw/zinc/21/24/22/911212422.db2.gz CZELILYVORGLAD-SFHVURJKSA-N 0 0 396.487 3.667 20 10 GHCDRN Cc1nn(C)c2nc(C)c(CCC(=O)N[C@H](C)c3ccc(N(C)C)cc3)c(C)c12 ZINC000773988184 911236688 /nfs/dbraw/zinc/23/66/88/911236688.db2.gz JEZLBJBBXZFRQG-OAHLLOKOSA-N 0 0 393.535 3.770 20 10 GHCDRN C[C@@H](NC(=O)CCCOc1ccc2c(c1)CCC(=O)N2)c1ccc(N(C)C)cc1 ZINC000773987931 911237350 /nfs/dbraw/zinc/23/73/50/911237350.db2.gz HOSLUGGBDCXQSF-MRXNPFEDSA-N 0 0 395.503 3.674 20 10 GHCDRN C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(N(C)C)cc1 ZINC000773993548 911241889 /nfs/dbraw/zinc/24/18/89/911241889.db2.gz HSRYLHFEOKGCQP-MRXNPFEDSA-N 0 0 396.491 3.755 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NC3(C)Cc4ccccc4C3)CC2)cc1 ZINC000092222602 911450737 /nfs/dbraw/zinc/45/07/37/911450737.db2.gz PSAXJSBEOMDRPQ-UHFFFAOYSA-N 0 0 379.504 3.521 20 10 GHCDRN Cc1cc(C(=O)N(C)c2ccn(C)n2)c(C)n1-c1ccc(Br)cc1 ZINC000774174766 911471190 /nfs/dbraw/zinc/47/11/90/911471190.db2.gz ASWIUUGLGPCQEN-UHFFFAOYSA-N 0 0 387.281 3.867 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCCc1nccs1 ZINC000283351200 911473148 /nfs/dbraw/zinc/47/31/48/911473148.db2.gz IKYSFDTWPHANTM-UHFFFAOYSA-N 0 0 383.311 3.983 20 10 GHCDRN C[C@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774198961 911479508 /nfs/dbraw/zinc/47/95/08/911479508.db2.gz QPOVGFSARACAJV-VBKZILBWSA-N 0 0 395.330 3.987 20 10 GHCDRN CCn1c(CC2CCCC2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000801949326 921669071 /nfs/dbraw/zinc/66/90/71/921669071.db2.gz OWBGTNRTDHGYCU-UHFFFAOYSA-N 0 0 383.540 3.504 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(COCC)c1 ZINC000283577041 911566433 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CCc1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OC ZINC000836752376 1023340312 /nfs/dbraw/zinc/34/03/12/1023340312.db2.gz KMHLVQBEGVCVJS-INIZCTEOSA-N 0 0 383.492 3.977 20 10 GHCDRN CCS(=O)(=O)Cc1ccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000836770475 1023355375 /nfs/dbraw/zinc/35/53/75/1023355375.db2.gz AXCSQWILPJYJTB-OAHLLOKOSA-N 0 0 389.521 3.570 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Nc3ccc4cnccc4c3)CC2)cc1 ZINC000836776712 1023358929 /nfs/dbraw/zinc/35/89/29/1023358929.db2.gz CRSHELFJAWVJDD-UHFFFAOYSA-N 0 0 376.460 3.988 20 10 GHCDRN C[C@@H]1CN(C(=O)c2ccccc2)CCN1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141079252 1023444771 /nfs/dbraw/zinc/44/47/71/1023444771.db2.gz YZGDXLQHJBOKEJ-LJQANCHMSA-N 0 0 389.543 3.732 20 10 GHCDRN CC[C@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCO1 ZINC000756107869 1023524276 /nfs/dbraw/zinc/52/42/76/1023524276.db2.gz FKHHQMSPKUDFSL-JCGIZDLHSA-N 0 0 397.466 3.514 20 10 GHCDRN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000756436783 1023648506 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3.765 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)c2ccc(OC)c(OC)c2)c1 ZINC000756553750 1023711293 /nfs/dbraw/zinc/71/12/93/1023711293.db2.gz IDYVXEAECZNZCK-CQSZACIVSA-N 0 0 387.476 3.824 20 10 GHCDRN C[C@H]([NH2+]CC1(O)CCCC1)c1cc(Br)cc(Br)c1[O-] ZINC000756573501 1023717952 /nfs/dbraw/zinc/71/79/52/1023717952.db2.gz KFLJHCGYBCBIGH-VIFPVBQESA-N 0 0 393.119 3.873 20 10 GHCDRN C[C@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756601807 1023731886 /nfs/dbraw/zinc/73/18/86/1023731886.db2.gz BDXSCWIPZXREOK-VBKZILBWSA-N 0 0 395.330 3.987 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)c1 ZINC000756617772 1023739846 /nfs/dbraw/zinc/73/98/46/1023739846.db2.gz PKILUOZWPAYAFV-CQSZACIVSA-N 0 0 385.460 3.985 20 10 GHCDRN COc1cc(CN2CC[C@@H]([NH2+][C@@H](C)c3cc(F)cc(F)c3[O-])C2)cc(OC)c1 ZINC000756647958 1023753047 /nfs/dbraw/zinc/75/30/47/1023753047.db2.gz UHOSWTYWFLZKAU-XJKSGUPXSA-N 0 0 392.446 3.613 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1cc(Br)cc(F)c1[O-] ZINC000756660201 1023759940 /nfs/dbraw/zinc/75/99/40/1023759940.db2.gz KZZQROARMRNYSI-BZNIZROVSA-N 0 0 393.256 3.750 20 10 GHCDRN C[C@@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000756758136 1023802599 /nfs/dbraw/zinc/80/25/99/1023802599.db2.gz RVVZNMHOOQJBDR-SNVBAGLBSA-N 0 0 386.300 3.880 20 10 GHCDRN C[C@@H](Nc1ccc2c(c1)NC(=O)CO2)c1cc(Br)c(F)cc1O ZINC000756795433 1023817316 /nfs/dbraw/zinc/81/73/16/1023817316.db2.gz FDODRRZJAVWZQY-MRVPVSSYSA-N 0 0 381.201 3.798 20 10 GHCDRN CN(CC(=O)NCc1ccc(N2CCCCC2)cc1)C(=O)OCc1ccccc1 ZINC000756811719 1023824304 /nfs/dbraw/zinc/82/43/04/1023824304.db2.gz HHMQBZZDELKSQU-UHFFFAOYSA-N 0 0 395.503 3.562 20 10 GHCDRN C[C@H](Nc1cccc(N2CCNC2=O)c1)c1cc(Br)c(F)cc1O ZINC000756817772 1023826218 /nfs/dbraw/zinc/82/62/18/1023826218.db2.gz BWFJYAQEZNDGPV-JTQLQIEISA-N 0 0 394.244 3.997 20 10 GHCDRN C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756865635 1023839269 /nfs/dbraw/zinc/83/92/69/1023839269.db2.gz TUVLJFRJLURCBH-QLJPJBMISA-N 0 0 393.802 3.549 20 10 GHCDRN Cc1cc(C(=O)N(C)CC[C@H](C)O)c(C)n1-c1ccccc1Br ZINC000756961134 1023887104 /nfs/dbraw/zinc/88/71/04/1023887104.db2.gz GJXSMUZQYPNHDH-ZDUSSCGKSA-N 0 0 379.298 3.700 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2nn(C(C)(C)C)cc2Br)c1 ZINC000830541518 1023976968 /nfs/dbraw/zinc/97/69/68/1023976968.db2.gz ZEDAOQAVMOCCFL-JTQLQIEISA-N 0 0 396.285 3.606 20 10 GHCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001138127278 1024173982 /nfs/dbraw/zinc/17/39/82/1024173982.db2.gz VMOQTAGHFJSKKW-QHCPKHFHSA-N 0 0 391.446 3.662 20 10 GHCDRN CC[C@H](C)c1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1CC1CC1 ZINC000830831570 1024176026 /nfs/dbraw/zinc/17/60/26/1024176026.db2.gz OLBQQLWKMGZWBT-HNNXBMFYSA-N 0 0 387.503 3.676 20 10 GHCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)c1cccc2c1OCCCO2 ZINC001156717449 1033202670 /nfs/dbraw/zinc/20/26/70/1033202670.db2.gz GGCPHNVENISZHL-UHFFFAOYSA-N 0 0 384.819 3.685 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)O[C@@H](C)C(=O)C3CCOCC3)c2C)cc1 ZINC000837355452 1024374339 /nfs/dbraw/zinc/37/43/39/1024374339.db2.gz VNLYTBMLMTZONG-INIZCTEOSA-N 0 0 385.460 3.644 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2c[nH]nc2C(C)C)c(C)n1-c1ccc(F)cn1 ZINC000837428178 1024450641 /nfs/dbraw/zinc/45/06/41/1024450641.db2.gz HRMQHDBBQWXSNM-UHFFFAOYSA-N 0 0 384.411 3.514 20 10 GHCDRN Cc1c(CN2CCc3c(CN(C)C)nn(C(C)C)c3C2)c2ccccc2n1C ZINC001138253736 1024474041 /nfs/dbraw/zinc/47/40/41/1024474041.db2.gz DZNRTXLFSWYEMZ-UHFFFAOYSA-N 0 0 379.552 3.884 20 10 GHCDRN Cc1c(CN2CCO[C@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)c2ccccc2n1C ZINC001138255835 1024480300 /nfs/dbraw/zinc/48/03/00/1024480300.db2.gz UYXXESKKQLWVCM-FDFHNCONSA-N 0 0 395.478 3.832 20 10 GHCDRN Cc1c(CN2CCN(c3nnc(C(F)(F)F)s3)CC2)c2ccccc2n1C ZINC001138256946 1024482519 /nfs/dbraw/zinc/48/25/19/1024482519.db2.gz QKWUZTBGPMBXLN-UHFFFAOYSA-N 0 0 395.454 3.679 20 10 GHCDRN CC[C@H](C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000837710478 1024653296 /nfs/dbraw/zinc/65/32/96/1024653296.db2.gz RORLHVDWXREWGP-KRWDZBQOSA-N 0 0 392.421 3.751 20 10 GHCDRN COc1ccc(N(CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CC2CC2)cc1 ZINC000831583309 1024662930 /nfs/dbraw/zinc/66/29/30/1024662930.db2.gz WAXSNUCRYPZQKD-HXUWFJFHSA-N 0 0 393.531 3.554 20 10 GHCDRN CO[C@@](C)(C(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C)C1CC1 ZINC000837739727 1024673283 /nfs/dbraw/zinc/67/32/83/1024673283.db2.gz HDIMWEDSUURRJL-HXUWFJFHSA-N 0 0 390.867 3.684 20 10 GHCDRN O=S(=O)([O-])C[C@@H](C[n+]1ccccc1)Oc1ccc(/N=N/c2ccccc2)cc1 ZINC001229006793 1033228244 /nfs/dbraw/zinc/22/82/44/1033228244.db2.gz JEZAAHPSICGODQ-SQYHMDOVSA-O 0 0 398.464 3.725 20 10 GHCDRN COc1ccccc1N1CCN(Cc2cc(C)cc(Br)c2O)CC1 ZINC001205045859 1033224280 /nfs/dbraw/zinc/22/42/80/1033224280.db2.gz FQLBKJISIHDFHK-UHFFFAOYSA-N 0 0 391.309 3.794 20 10 GHCDRN Oc1c(CN2CCc3c([nH]nc3C(F)(F)F)C2)cc2c3c1CCCN3CCC2 ZINC001138341764 1024702529 /nfs/dbraw/zinc/70/25/29/1024702529.db2.gz JXFMVCCEQDDIBP-LJQANCHMSA-N 0 0 392.425 3.948 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC001141367858 1024741095 /nfs/dbraw/zinc/74/10/95/1024741095.db2.gz UHNYGZNPBVQBOW-UHFFFAOYSA-N 0 0 396.716 3.915 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](CO)c2ccc(F)cc2)c1 ZINC001141369965 1024747358 /nfs/dbraw/zinc/74/73/58/1024747358.db2.gz UTCCYZPGJIOORC-NRFANRHFSA-N 0 0 380.419 3.509 20 10 GHCDRN CCN(CC)c1ccc(CN2CCN3C(=O)c4ccccc4[C@@H]3C2)c(OC)c1 ZINC001138386537 1024758506 /nfs/dbraw/zinc/75/85/06/1024758506.db2.gz QEJQXXDUJBZDAI-NRFANRHFSA-N 0 0 379.504 3.554 20 10 GHCDRN COC(=O)C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141375160 1024769195 /nfs/dbraw/zinc/76/91/95/1024769195.db2.gz YBMSDOZUCLUMOV-JTQLQIEISA-N 0 0 376.678 3.583 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2cc(F)cc3c2OCOC3)C1 ZINC001141396412 1024868373 /nfs/dbraw/zinc/86/83/73/1024868373.db2.gz PKGIOMKUDQFNDZ-UHFFFAOYSA-N 0 0 382.435 3.751 20 10 GHCDRN COCC[C@H](NC(=O)NCc1ccccc1O)c1cccc(C(F)(F)F)c1 ZINC000838060374 1024906194 /nfs/dbraw/zinc/90/61/94/1024906194.db2.gz ITEILUBQVFGKLY-INIZCTEOSA-N 0 0 382.382 3.988 20 10 GHCDRN FC1(F)CC2(CN(Cc3ccc(N4CCOCC4)c(Br)c3)C2)C1 ZINC001138676014 1025201077 /nfs/dbraw/zinc/20/10/77/1025201077.db2.gz VIGATUHQGGGRTP-UHFFFAOYSA-N 0 0 387.268 3.517 20 10 GHCDRN CC1(C)CN(Cc2ccc(N3CCOCC3)c(Br)c2)CC(C)(C)O1 ZINC001138677502 1025203109 /nfs/dbraw/zinc/20/31/09/1025203109.db2.gz JWZHSDMIRSSYGA-UHFFFAOYSA-N 0 0 397.357 3.675 20 10 GHCDRN C[C@H](NC(=O)N1CCC(CO)(c2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000838560736 1025210631 /nfs/dbraw/zinc/21/06/31/1025210631.db2.gz YKIXRYKTHNRLAO-SFHVURJKSA-N 0 0 381.520 3.549 20 10 GHCDRN C[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)c1ccn(C)n1 ZINC000838579961 1025220082 /nfs/dbraw/zinc/22/00/82/1025220082.db2.gz WAEYJLOBHHKFMK-LSDHHAIUSA-N 0 0 389.931 3.870 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)c1ccn(C)n1 ZINC000838579959 1025220124 /nfs/dbraw/zinc/22/01/24/1025220124.db2.gz WAEYJLOBHHKFMK-GJZGRUSLSA-N 0 0 389.931 3.870 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)Nc1ccc(Cl)cc1F ZINC000838746116 1025341641 /nfs/dbraw/zinc/34/16/41/1025341641.db2.gz FEDFCJJFBMTBQN-UHFFFAOYSA-N 0 0 399.800 3.916 20 10 GHCDRN CCc1cccc(C)c1NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838745773 1025341654 /nfs/dbraw/zinc/34/16/54/1025341654.db2.gz YLIZCSMLBORXIT-UHFFFAOYSA-N 0 0 389.446 3.994 20 10 GHCDRN Cc1ccncc1N(C)C(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC000832260319 1025387030 /nfs/dbraw/zinc/38/70/30/1025387030.db2.gz TYFKLFRPEOQZIJ-UHFFFAOYSA-N 0 0 381.476 3.960 20 10 GHCDRN CCOC(=O)c1noc(CN2CCCc3cc(OCc4ccccc4)ccc32)n1 ZINC000838851233 1025395294 /nfs/dbraw/zinc/39/52/94/1025395294.db2.gz SZKGOECGEYIMFW-UHFFFAOYSA-N 0 0 393.443 3.778 20 10 GHCDRN C[C@@H]1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)CC[S@@]1=O ZINC000839065222 1025553745 /nfs/dbraw/zinc/55/37/45/1025553745.db2.gz ZJINBWLHSLYVEQ-CMJOXMDJSA-N 0 0 399.398 3.782 20 10 GHCDRN COC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)C1 ZINC001162072046 1025585464 /nfs/dbraw/zinc/58/54/64/1025585464.db2.gz FZOFCBIHUSPTDN-QHCPKHFHSA-N 0 0 396.487 3.630 20 10 GHCDRN CN(Cc1nc(-c2ccccc2)c[nH]1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000839103171 1025605347 /nfs/dbraw/zinc/60/53/47/1025605347.db2.gz KHJBGHVRWILCJM-UHFFFAOYSA-N 0 0 380.467 3.684 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC000839181059 1025691243 /nfs/dbraw/zinc/69/12/43/1025691243.db2.gz DJYGEOICFKMKQH-VIFPVBQESA-N 0 0 387.383 3.857 20 10 GHCDRN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000839211064 1025725528 /nfs/dbraw/zinc/72/55/28/1025725528.db2.gz CNLYTBRIZAPNFC-SFHVURJKSA-N 0 0 393.531 3.538 20 10 GHCDRN C=COc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1 ZINC000839522239 1026003736 /nfs/dbraw/zinc/00/37/36/1026003736.db2.gz QRRSDYFVCGKGMD-UHFFFAOYSA-N 0 0 381.476 3.651 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)C3=CC(=O)CS3)C2)C1 ZINC000832857264 1026040892 /nfs/dbraw/zinc/04/08/92/1026040892.db2.gz ZMAJHLOWHQXOLG-GJZGRUSLSA-N 0 0 394.537 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KSJVJPHJBXVFFA-CQSZACIVSA-N 0 0 394.423 3.541 20 10 GHCDRN CC[C@@H](Oc1c(O)c(O)ccc1C(=O)c1cc(O)c(O)c(O)c1)c1ccccc1 ZINC001229785291 1033711198 /nfs/dbraw/zinc/71/11/98/1033711198.db2.gz GQIYGXCDNDILHA-GOSISDBHSA-N 0 0 396.395 3.976 20 10 GHCDRN Fc1ccccc1Cn1ccc2c1ncnc2-c1cnn(Cc2cccnc2)c1 ZINC001206385573 1033823397 /nfs/dbraw/zinc/82/33/97/1033823397.db2.gz KEMSSPVDJUFSQW-UHFFFAOYSA-N 0 0 384.418 3.926 20 10 GHCDRN Cc1cc(C(=O)NCC2CSC2)c(C)n1-c1ccc(Br)cc1 ZINC001157971297 1033844066 /nfs/dbraw/zinc/84/40/66/1033844066.db2.gz INRCOCSBRKXJRU-UHFFFAOYSA-N 0 0 379.323 3.949 20 10 GHCDRN C[C@H](COc1ccccc1)NC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001206558071 1033906964 /nfs/dbraw/zinc/90/69/64/1033906964.db2.gz HWIXRKUIHDDDNA-MRXNPFEDSA-N 0 0 387.443 3.985 20 10 GHCDRN C[C@@H](O)C[C@@H](CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001230172676 1033929629 /nfs/dbraw/zinc/92/96/29/1033929629.db2.gz LDAIHBZMXWQGCK-KNQAVFIVSA-N 0 0 395.547 3.983 20 10 GHCDRN 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CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](COC)C(C)C ZINC001255789586 1041295747 /nfs/dbraw/zinc/29/57/47/1041295747.db2.gz DSAIPNFCHDAARA-CQSZACIVSA-N 0 0 387.318 3.605 20 10 GHCDRN Oc1ccc(CCc2nnc(-c3cc(F)cc(Br)c3)o2)cc1O ZINC001255915902 1041399899 /nfs/dbraw/zinc/39/98/99/1041399899.db2.gz ZEDGZSHKZAACAH-UHFFFAOYSA-N 0 0 379.185 3.835 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cn1 ZINC001236212872 1041624882 /nfs/dbraw/zinc/62/48/82/1041624882.db2.gz WVAPAAJQTBIVCR-UHFFFAOYSA-N 0 0 381.501 3.941 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2CN(Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236370877 1041685177 /nfs/dbraw/zinc/68/51/77/1041685177.db2.gz JGEIRTCEVWNYKR-UHFFFAOYSA-N 0 0 396.462 3.700 20 10 GHCDRN CC[C@@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3c([O-])ccc(Cl)c3Cl)C2)C1=O ZINC001277992582 1041800625 /nfs/dbraw/zinc/80/06/25/1041800625.db2.gz KIQCUJOHSGDHAZ-CWTRNNRKSA-N 0 0 399.318 3.839 20 10 GHCDRN Cc1cc(Br)c(O)c(CN2CC[C@H](OC(=O)OC(C)(C)C)C2)c1 ZINC001236664001 1041811917 /nfs/dbraw/zinc/81/19/17/1041811917.db2.gz RIHIOVNNGHPMDM-ZDUSSCGKSA-N 0 0 386.286 3.989 20 10 GHCDRN Cc1cc(Br)c(O)c(CN2CCN(c3cc(Cl)ccn3)CC2)c1 ZINC001236665302 1041811952 /nfs/dbraw/zinc/81/19/52/1041811952.db2.gz IPUXYZHGYVPZNG-UHFFFAOYSA-N 0 0 396.716 3.834 20 10 GHCDRN Cc1cc(Br)c(O)c(CN2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)c1 ZINC001236665845 1041813085 /nfs/dbraw/zinc/81/30/85/1041813085.db2.gz KTDFBCLQBRRAJX-YQVWRLOYSA-N 0 0 396.325 3.622 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[N@H+](C)CCCC(=O)c2cccnc2)c1 ZINC001236666613 1041813709 /nfs/dbraw/zinc/81/37/09/1041813709.db2.gz SEGWNWYMAFHOOM-UHFFFAOYSA-N 0 0 377.282 3.953 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC001236668496 1041815042 /nfs/dbraw/zinc/81/50/42/1041815042.db2.gz BNYXXZPLAMPRRD-OCCSQVGLSA-N 0 0 399.329 3.951 20 10 GHCDRN COc1cc(O[C@@H]2CC[N@H+](Cc3cc(C)cc(Br)c3[O-])C2)ccn1 ZINC001236669510 1041816785 /nfs/dbraw/zinc/81/67/85/1041816785.db2.gz KNSKRJMAVGYJNK-OAHLLOKOSA-N 0 0 393.281 3.520 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c1 ZINC001236669388 1041816993 /nfs/dbraw/zinc/81/69/93/1041816993.db2.gz IRCPCPDJQXWTBZ-ZFWWWQNUSA-N 0 0 397.313 3.514 20 10 GHCDRN CCc1noc([C@H]2CCC[N@H+](Cc3cc(C)cc(Br)c3[O-])C2)n1 ZINC001236669618 1041817600 /nfs/dbraw/zinc/81/76/00/1041817600.db2.gz PNVLFVFMMCLWGU-LBPRGKRZSA-N 0 0 380.286 3.788 20 10 GHCDRN CCc1ccc(CN2Cc3c(cnn3CC)[C@H](COc3cccnc3)C2)c(O)c1 ZINC001236786267 1041892058 /nfs/dbraw/zinc/89/20/58/1041892058.db2.gz NLQCYLRPXSHZES-IBGZPJMESA-N 0 0 392.503 3.744 20 10 GHCDRN Oc1ccc(OCc2ccccc2)cc1CN1CC(N2CCC(F)(F)CC2)C1 ZINC001236788968 1041894526 /nfs/dbraw/zinc/89/45/26/1041894526.db2.gz MAFPNMMGFAJWJO-UHFFFAOYSA-N 0 0 388.458 3.887 20 10 GHCDRN CN1c2ccccc2[C@@]2(CC[N@H+](Cc3cc(Cl)c(Cl)cc3[O-])C2)C1=O ZINC001236792864 1041897859 /nfs/dbraw/zinc/89/78/59/1041897859.db2.gz IVKPADXWZJIESG-IBGZPJMESA-N 0 0 377.271 3.819 20 10 GHCDRN COc1ccc(C[N@@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1Cl ZINC001236801055 1041903142 /nfs/dbraw/zinc/90/31/42/1041903142.db2.gz DHSFGLFRGOHVCT-HXUWFJFHSA-N 0 0 396.915 3.887 20 10 GHCDRN CCOc1cccc(N2CC[NH+](Cc3ccc(OC)c(Cl)c3[O-])CC2)c1 ZINC001236807296 1041907993 /nfs/dbraw/zinc/90/79/93/1041907993.db2.gz NKOFIPZOAKBNTM-UHFFFAOYSA-N 0 0 376.884 3.775 20 10 GHCDRN COc1ccc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c([O-])c1Cl ZINC001236809775 1041910646 /nfs/dbraw/zinc/91/06/46/1041910646.db2.gz OGHPMFVVTKYKNR-JSGCOSHPSA-N 0 0 384.904 3.932 20 10 GHCDRN CC(C)(C)OC(=O)N1CC[C@H]2OCCN(Cc3cc4ccccc4cc3O)[C@H]2C1 ZINC001236826844 1041918718 /nfs/dbraw/zinc/91/87/18/1041918718.db2.gz OBLOUFBEFJSQLP-PZJWPPBQSA-N 0 0 398.503 3.756 20 10 GHCDRN O=C1N(CC2CCCC2)CC[C@]12CCCN2Cc1c(O)ccc(F)c1Cl ZINC001278025039 1041946187 /nfs/dbraw/zinc/94/61/87/1041946187.db2.gz LLCYPMOFWGENDC-HXUWFJFHSA-N 0 0 380.891 3.942 20 10 GHCDRN CCOc1ccc(CN(Cc2cnn(CC)c2)Cc2c(C)nn(C)c2C)c(O)c1 ZINC001237042359 1042003160 /nfs/dbraw/zinc/00/31/60/1042003160.db2.gz TYDXOAQTNISUEB-UHFFFAOYSA-N 0 0 397.523 3.560 20 10 GHCDRN CC(C)c1ccc(CN2CCO[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)c(O)c1 ZINC001237044763 1042004345 /nfs/dbraw/zinc/00/43/45/1042004345.db2.gz DDVYKFTZAWPHLC-AZUAARDMSA-N 0 0 390.524 3.726 20 10 GHCDRN CC(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c([O-])cc(Br)cc1F ZINC001278046706 1042011674 /nfs/dbraw/zinc/01/16/74/1042011674.db2.gz XHYNJLLKLNKEPJ-HZPDHXFCSA-N 0 0 399.304 3.515 20 10 GHCDRN CN(C(=O)OC(C)(C)C)[C@H]1CCN1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237061201 1042015483 /nfs/dbraw/zinc/01/54/83/1042015483.db2.gz HCIDHMLPVIBGOC-OAHLLOKOSA-N 0 0 390.402 3.732 20 10 GHCDRN COc1ccc(CN(C)Cc2c(O)cc(OC)cc2Br)c(OC)c1 ZINC001237066784 1042018444 /nfs/dbraw/zinc/01/84/44/1042018444.db2.gz BDEJEZIOCUDPEO-UHFFFAOYSA-N 0 0 396.281 3.813 20 10 GHCDRN O=C1OC2(CC[NH+](Cc3c([O-])ccc(Cl)c3Cl)CC2)c2cccnc21 ZINC001237083363 1042029099 /nfs/dbraw/zinc/02/90/99/1042029099.db2.gz CIEFVPLNHPDBRK-UHFFFAOYSA-N 0 0 379.243 3.756 20 10 GHCDRN O=C1C[C@@]2(CC[N@@H+](Cc3c(O)ccc(F)c3Cl)C2)CN1c1ccsc1 ZINC001237124215 1042052097 /nfs/dbraw/zinc/05/20/97/1042052097.db2.gz KUELRMYGMMJJHY-GOSISDBHSA-N 0 0 380.872 3.875 20 10 GHCDRN Oc1ccc(C(F)(F)F)cc1CN1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001237136819 1042058536 /nfs/dbraw/zinc/05/85/36/1042058536.db2.gz IUJRLNVEDBZYBF-OAHLLOKOSA-N 0 0 395.425 3.666 20 10 GHCDRN Cc1ccccc1C(=O)N1CCN(Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237146620 1042063460 /nfs/dbraw/zinc/06/34/60/1042063460.db2.gz WBXDLTHORDYVPX-UHFFFAOYSA-N 0 0 378.394 3.677 20 10 GHCDRN COc1c([O-])c(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)ccc1[N+](=O)[O-] ZINC001462586965 1070393843 /nfs/dbraw/zinc/39/38/43/1070393843.db2.gz QCRUIZBFKCSHBN-CYBMUJFWSA-N 0 0 389.477 3.634 20 10 GHCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001237618987 1042285315 /nfs/dbraw/zinc/28/53/15/1042285315.db2.gz LQIKLKSJLBWAIH-BLLLJJGKSA-N 0 0 381.904 3.738 20 10 GHCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001237618989 1042285530 /nfs/dbraw/zinc/28/55/30/1042285530.db2.gz LQIKLKSJLBWAIH-LRDDRELGSA-N 0 0 381.904 3.738 20 10 GHCDRN O=C(NC1CC[NH+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC1)C(F)(F)F ZINC001237644874 1042300866 /nfs/dbraw/zinc/30/08/66/1042300866.db2.gz DXWOSLGUDHFHDT-UHFFFAOYSA-N 0 0 396.384 3.841 20 10 GHCDRN Cc1cc(O)c(C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C)cc1Br ZINC001237676078 1042317334 /nfs/dbraw/zinc/31/73/34/1042317334.db2.gz DQZPFLKFWGPFNG-UHFFFAOYSA-N 0 0 387.318 3.762 20 10 GHCDRN Cc1nc([C@@H]2COCCN2Cc2cc(Br)c(C)cc2O)cs1 ZINC001237679095 1042320623 /nfs/dbraw/zinc/32/06/23/1042320623.db2.gz FCKNVOGGMIDJDV-HNNXBMFYSA-N 0 0 383.311 3.802 20 10 GHCDRN Cc1cc(O)c(CN2CC[C@@H](N3CCCC3)C(F)(F)C2)cc1Br ZINC001237685072 1042325968 /nfs/dbraw/zinc/32/59/68/1042325968.db2.gz NEBLBXYPHQZNOC-MRXNPFEDSA-N 0 0 389.284 3.769 20 10 GHCDRN Cc1cc(Cl)cc(CN2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)c1O ZINC001237686308 1042326297 /nfs/dbraw/zinc/32/62/97/1042326297.db2.gz QBFAOUXGLJWMKM-AYOQOUSVSA-N 0 0 388.895 3.807 20 10 GHCDRN Cc1cc(O)c(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)cc1Br ZINC001237686038 1042326963 /nfs/dbraw/zinc/32/69/63/1042326963.db2.gz SRYZAAMASTWPFC-UKRRQHHQSA-N 0 0 397.313 3.514 20 10 GHCDRN CCOC(=O)CN(Cc1ccc(OC)cc1)Cc1cc(Cl)cc(C)c1O ZINC001237687691 1042327902 /nfs/dbraw/zinc/32/79/02/1042327902.db2.gz RVOYRRCBLGZHCF-UHFFFAOYSA-N 0 0 377.868 3.928 20 10 GHCDRN O=S(=O)(Nc1ccc([C@H]2CC[NH2+]C2)cc1)c1cc(Cl)cc(Cl)c1[O-] ZINC001237717555 1042340364 /nfs/dbraw/zinc/34/03/64/1042340364.db2.gz BMYDZZRPSQNBEZ-NSHDSACASA-N 0 0 387.288 3.577 20 10 GHCDRN [O-]c1c(I)cccc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC001237778206 1042365649 /nfs/dbraw/zinc/36/56/49/1042365649.db2.gz UNKUZYAWLJUKHT-CQSZACIVSA-N 0 0 379.241 3.986 20 10 GHCDRN COc1ccccc1CC[N@H+](C)Cc1cccc(I)c1[O-] ZINC001237781774 1042366287 /nfs/dbraw/zinc/36/62/87/1042366287.db2.gz ZPPDCBSYCCTFDZ-UHFFFAOYSA-N 0 0 397.256 3.680 20 10 GHCDRN CC[N@@H+](Cc1cccc(I)c1[O-])Cc1ccccc1O ZINC001237784692 1042368221 /nfs/dbraw/zinc/36/82/21/1042368221.db2.gz WXXMDYXVNHQTRB-UHFFFAOYSA-N 0 0 383.229 3.725 20 10 GHCDRN [O-]c1c(I)cccc1C[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001237786173 1042369467 /nfs/dbraw/zinc/36/94/67/1042369467.db2.gz MNPZNLYBQANRKT-NSHDSACASA-N 0 0 385.167 3.566 20 10 GHCDRN C[N@H+](Cc1cccc(I)c1[O-])Cc1cccc(F)c1F ZINC001237788982 1042370314 /nfs/dbraw/zinc/37/03/14/1042370314.db2.gz QLMUWMXKDMQJOP-UHFFFAOYSA-N 0 0 389.183 3.907 20 10 GHCDRN C[NH+](C)C[C@@H]1CCCN1Cc1cc(Br)cc(C(F)(F)F)c1[O-] ZINC001237793326 1042373724 /nfs/dbraw/zinc/37/37/24/1042373724.db2.gz YDESJGQXGJMLRI-LBPRGKRZSA-N 0 0 381.236 3.700 20 10 GHCDRN [O-]c1c(Cl)cc(F)cc1C[NH+]1CCC2(C[C@H](c3cncnc3)CO2)CC1 ZINC001237800188 1042376331 /nfs/dbraw/zinc/37/63/31/1042376331.db2.gz MZDFHBIKBAZTDU-AWEZNQCLSA-N 0 0 377.847 3.513 20 10 GHCDRN CCC[C@@H](COC)[N@H+](CCC(=O)OCC)Cc1cc(F)cc(Cl)c1[O-] ZINC001237806226 1042379847 /nfs/dbraw/zinc/37/98/47/1042379847.db2.gz RNEKMACSVSPOEO-HNNXBMFYSA-N 0 0 375.868 3.755 20 10 GHCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001237937185 1042427828 /nfs/dbraw/zinc/42/78/28/1042427828.db2.gz NFEBMYBUISYEHG-BLLLJJGKSA-N 0 0 381.904 3.738 20 10 GHCDRN Cn1c2ccccc2n(C2CCN(Cc3cc(F)c(Cl)cc3O)CC2)c1=O ZINC001237938087 1042428630 /nfs/dbraw/zinc/42/86/30/1042428630.db2.gz XOEHVUKELSJWDZ-UHFFFAOYSA-N 0 0 389.858 3.675 20 10 GHCDRN Oc1cc(Cl)c(F)cc1CN1CCc2onc(COc3ccccn3)c2C1 ZINC001237938187 1042428730 /nfs/dbraw/zinc/42/87/30/1042428730.db2.gz VZZSNSUSHLSCBL-UHFFFAOYSA-N 0 0 389.814 3.705 20 10 GHCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001237939166 1042429487 /nfs/dbraw/zinc/42/94/87/1042429487.db2.gz UCQKXSAYLNNUCT-OXJNMPFZSA-N 0 0 392.858 3.782 20 10 GHCDRN Oc1cc(Cl)c(F)cc1CN1CCn2c(Cc3ccc(F)cc3)nnc2C1 ZINC001237949888 1042435102 /nfs/dbraw/zinc/43/51/02/1042435102.db2.gz OAAYOHPXBFINLN-UHFFFAOYSA-N 0 0 390.821 3.522 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)Nc2nccc(SC)n2)CCCC1 ZINC001278281786 1042731819 /nfs/dbraw/zinc/73/18/19/1042731819.db2.gz KQTCFSWKKRKTCG-UHFFFAOYSA-N 0 0 382.489 3.679 20 10 GHCDRN Cc1c(C)n(Cc2ccccc2)c2ncnc(-c3cnc4c(c3)OCC(=O)N4C)c12 ZINC001240868888 1042961402 /nfs/dbraw/zinc/96/14/02/1042961402.db2.gz MLLVAVJIUFATNA-UHFFFAOYSA-N 0 0 399.454 3.514 20 10 GHCDRN COC1CCN(c2ccc(CN3CCCC[C@H]3C(=O)OC(C)(C)C)cc2)CC1 ZINC000828505510 1043063418 /nfs/dbraw/zinc/06/34/18/1043063418.db2.gz TWWZTALPCYMSEM-NRFANRHFSA-N 0 0 388.552 3.998 20 10 GHCDRN CCC(C)(C)N(C)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC000736018565 1043069088 /nfs/dbraw/zinc/06/90/88/1043069088.db2.gz NPTYHUSBFDTFNT-UHFFFAOYSA-N 0 0 380.400 3.631 20 10 GHCDRN C[C@@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCOCC3)cc2)[C@H]1C ZINC001291147740 1043109462 /nfs/dbraw/zinc/10/94/62/1043109462.db2.gz DRARZYMXOVMYTG-MSOLQXFVSA-N 0 0 397.567 3.695 20 10 GHCDRN Cc1cc(C(=O)N2CC[S@](=O)[C@@H](C)[C@@H]2C)c(C)n1-c1cccc(Cl)c1 ZINC000736585221 1043142052 /nfs/dbraw/zinc/14/20/52/1043142052.db2.gz BSQUSJUXDQKRGY-RZAQHMAJSA-N 0 0 378.925 3.729 20 10 GHCDRN CCOC(=O)c1ccnc(NCc2ccc(N3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000737398749 1043192721 /nfs/dbraw/zinc/19/27/21/1043192721.db2.gz FQMMWOGFFOONLC-UHFFFAOYSA-N 0 0 384.436 3.769 20 10 GHCDRN CC[C@H](C)c1nnc(N(C)[C@H]2CCOC2)n1Cc1ccc(N(CC)CC)cc1 ZINC001291435120 1043252311 /nfs/dbraw/zinc/25/23/11/1043252311.db2.gz YIDVPVSSYDIATL-PXNSSMCTSA-N 0 0 385.556 3.911 20 10 GHCDRN CC(C)(C)c1csc(C(=O)NCc2ccc(N3CCSCC3)cc2)n1 ZINC001291628504 1043362911 /nfs/dbraw/zinc/36/29/11/1043362911.db2.gz QOXCLPDPHFKYHL-UHFFFAOYSA-N 0 0 375.563 3.924 20 10 GHCDRN CC[C@@H](Cn1c(C2CC2)nnc1N(C)Cc1ccc(N2CCCC2)cc1)OC ZINC001292209858 1043630151 /nfs/dbraw/zinc/63/01/51/1043630151.db2.gz LYDKSAPHDWZGEN-FQEVSTJZSA-N 0 0 383.540 3.817 20 10 GHCDRN CS(=O)(=O)c1ccc(Cc2nnc(-c3ccc(-n4cccc4)cc3)o2)cc1 ZINC001256935860 1043760293 /nfs/dbraw/zinc/76/02/93/1043760293.db2.gz UYSLIMTWTYOOOQ-UHFFFAOYSA-N 0 0 379.441 3.522 20 10 GHCDRN O=c1[nH]c(-c2ccccn2)ncc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256978944 1043781226 /nfs/dbraw/zinc/78/12/26/1043781226.db2.gz YQSFDEHEQTZZAF-UHFFFAOYSA-N 0 0 382.383 3.752 20 10 GHCDRN CCc1nnc(N(C)CCC(C)C)n1Cc1ccc(N2CCSCC2)cc1 ZINC001292853781 1043916443 /nfs/dbraw/zinc/91/64/43/1043916443.db2.gz WXAAORCXWXUPIC-UHFFFAOYSA-N 0 0 387.597 3.924 20 10 GHCDRN Cc1ccc([C@H]2C[C@H]2c2nnc(-c3ccc(O)c(CN4CCOCC4)c3)o2)cc1 ZINC001257341980 1043969156 /nfs/dbraw/zinc/96/91/56/1043969156.db2.gz OWNBVMGLKBRZAY-WOJBJXKFSA-N 0 0 391.471 3.854 20 10 GHCDRN CN1CCCc2cc(CNC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000740473926 1043985944 /nfs/dbraw/zinc/98/59/44/1043985944.db2.gz BFLWANVYKVHJBN-UHFFFAOYSA-N 0 0 396.491 3.799 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2cc(-c3ccccc3O)n[nH]2)cc1F ZINC001293225155 1044068862 /nfs/dbraw/zinc/06/88/62/1044068862.db2.gz OQBUQGYGLHAJIJ-UHFFFAOYSA-N 0 0 382.439 3.698 20 10 GHCDRN Cc1c(Cl)cccc1S(=O)(=O)NCc1ccc(Br)cc1O ZINC001257647307 1044098776 /nfs/dbraw/zinc/09/87/76/1044098776.db2.gz YFLHXEBIWCSEEG-UHFFFAOYSA-N 0 0 390.686 3.595 20 10 GHCDRN Cc1cc(C)n(Cc2ccc(-c3nnc(Cc4ccc(O)c(O)c4)o3)cc2)n1 ZINC001257940964 1044264600 /nfs/dbraw/zinc/26/46/00/1044264600.db2.gz UFNDRVPXERNUJG-UHFFFAOYSA-N 0 0 376.416 3.600 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)Nc1cnn(-c2ccccn2)c1 ZINC001293767833 1044326089 /nfs/dbraw/zinc/32/60/89/1044326089.db2.gz LTTKDEYFGAIIJZ-UHFFFAOYSA-N 0 0 385.427 3.740 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)c1nn(-c2ccc(F)cc2F)c2c1CCC2 ZINC001294673918 1044758657 /nfs/dbraw/zinc/75/86/57/1044758657.db2.gz VOXVYPHTOPKXFE-UHFFFAOYSA-N 0 0 383.398 3.617 20 10 GHCDRN CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC001294936322 1044843335 /nfs/dbraw/zinc/84/33/35/1044843335.db2.gz FMXZUWZCDQKRBD-ZQIUZPCESA-N 0 0 394.512 3.908 20 10 GHCDRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Nc1ccc(O)cc1C(F)(F)F)C(=O)C2 ZINC001258986483 1044919122 /nfs/dbraw/zinc/91/91/22/1044919122.db2.gz SOJZZOZBAVUANY-QLJPJBMISA-N 0 0 391.411 3.548 20 10 GHCDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CCn2cncc2C1 ZINC001295595647 1045063667 /nfs/dbraw/zinc/06/36/67/1045063667.db2.gz VHKOLXWMXBAIDA-PKOBYXMFSA-N 0 0 375.472 3.941 20 10 GHCDRN O=C(Cc1ccc(O)c(O)c1)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC001297023357 1045426388 /nfs/dbraw/zinc/42/63/88/1045426388.db2.gz FYIDCUIXOFGORZ-OAHLLOKOSA-N 0 0 377.721 3.853 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1nc(Br)sc1Cl ZINC001297562596 1045571126 /nfs/dbraw/zinc/57/11/26/1045571126.db2.gz NOQKHMBPTDCAHE-UHFFFAOYSA-N 0 0 396.690 3.680 20 10 GHCDRN CCOCCn1c(C2CCC2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 ZINC001297572945 1045574699 /nfs/dbraw/zinc/57/46/99/1045574699.db2.gz ONVPXSYGTRTGGP-UHFFFAOYSA-N 0 0 383.540 3.819 20 10 GHCDRN CN(c1ccc(CNS(=O)(=O)c2cncc(Cl)c2)cc1)C1CCCCC1 ZINC001462933739 1070672248 /nfs/dbraw/zinc/67/22/48/1070672248.db2.gz SCHLOQOAEDGCDA-UHFFFAOYSA-N 0 0 393.940 3.982 20 10 GHCDRN O=S(=O)(Cc1cccc(Cl)c1)Nc1ccc(O)c(Br)c1 ZINC001260833593 1045702434 /nfs/dbraw/zinc/70/24/34/1045702434.db2.gz ZLFVVTVNAFOJBC-UHFFFAOYSA-N 0 0 376.659 3.750 20 10 GHCDRN O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NCc1ccc2cccnc2c1O ZINC001299721290 1045784613 /nfs/dbraw/zinc/78/46/13/1045784613.db2.gz FPOPADDORYUIAB-MRXNPFEDSA-N 0 0 391.254 3.987 20 10 GHCDRN COC1CCN(c2ccc(CN3CCn4c(nnc4C4CCCC4)C3)cc2)CC1 ZINC001261261080 1045945552 /nfs/dbraw/zinc/94/55/52/1045945552.db2.gz IVMHRUYOTUUPJW-UHFFFAOYSA-N 0 0 395.551 3.567 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3ncccc3NCC3CCC3)C2)cc1 ZINC001299769964 1046028602 /nfs/dbraw/zinc/02/86/02/1046028602.db2.gz LLIIJTNZCNYDHN-SFHVURJKSA-N 0 0 394.519 3.559 20 10 GHCDRN CCc1cc(NC(=O)c2cc(C)n(-c3ccc(Br)cn3)c2C)n[nH]1 ZINC001299776253 1046029373 /nfs/dbraw/zinc/02/93/73/1046029373.db2.gz SLIYQPDJJYHUQU-UHFFFAOYSA-N 0 0 388.269 3.789 20 10 GHCDRN Oc1cccc(Br)c1CNc1ccccc1CN1CCOCC1 ZINC001261787434 1046092018 /nfs/dbraw/zinc/09/20/18/1046092018.db2.gz PCJZORFCTZOAKS-UHFFFAOYSA-N 0 0 377.282 3.599 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC[C@@H]3OCCC[C@H]3C2)ccc1C ZINC001261812576 1046101521 /nfs/dbraw/zinc/10/15/21/1046101521.db2.gz RADBGRQOGRGSMN-UGKGYDQZSA-N 0 0 380.488 3.856 20 10 GHCDRN Cc1cc(CCNC(=O)c2cc([N+](=O)[O-])cnc2C)c(C)n1-c1ccccc1 ZINC000746424087 1046134417 /nfs/dbraw/zinc/13/44/17/1046134417.db2.gz CKEQKBDATUHNCG-UHFFFAOYSA-N 0 0 378.432 3.678 20 10 GHCDRN COC(=O)/C=C\c1ccc(NCc2ccc3c(c2)CCCN3C)c([N+](=O)[O-])c1 ZINC000746719068 1046158140 /nfs/dbraw/zinc/15/81/40/1046158140.db2.gz ZZPXXNAZMURRPX-YFHOEESVSA-N 0 0 381.432 3.776 20 10 GHCDRN COC(=O)[C@](C)(CCF)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001300808466 1046177303 /nfs/dbraw/zinc/17/73/03/1046177303.db2.gz CSMHVYZFBQTNBG-IBGZPJMESA-N 0 0 380.847 3.769 20 10 GHCDRN O=C(c1ccnc(-c2ccccc2)n1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001262615411 1046282664 /nfs/dbraw/zinc/28/26/64/1046282664.db2.gz KOLDESDRMRNDKJ-LJQANCHMSA-N 0 0 389.455 3.671 20 10 GHCDRN COC(=O)C(C)(C)n1ccc(NC(=O)c2sccc2-n2c(C)ccc2C)n1 ZINC001301040742 1046303337 /nfs/dbraw/zinc/30/33/37/1046303337.db2.gz FBVDARGAEWULQT-UHFFFAOYSA-N 0 0 386.477 3.513 20 10 GHCDRN CCOCCCn1c(C2SC=CC2=O)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001263369886 1046755983 /nfs/dbraw/zinc/75/59/83/1046755983.db2.gz HMICALYOBQXAFW-LJQANCHMSA-N 0 0 394.541 3.534 20 10 GHCDRN Cc1cc(C(=O)N2CCN[C@@H](c3cn[nH]c3)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC001302060559 1046797445 /nfs/dbraw/zinc/79/74/45/1046797445.db2.gz QJPUWJSMDRNVNP-JOCHJYFZSA-N 0 0 391.519 3.727 20 10 GHCDRN Cc1cc(C(=O)N=[S@@](C)(=O)c2ccc(N(C)C)cc2)c(C)n1-c1ccccn1 ZINC001302269316 1046893719 /nfs/dbraw/zinc/89/37/19/1046893719.db2.gz NIYZYNHSOSLLSM-NDEPHWFRSA-N 0 0 396.516 3.852 20 10 GHCDRN Cc1ccc2c(c1)CN(c1nnc(C3SC=CC3=O)n1C[C@H]1CCOC1)CC2 ZINC001263574540 1046959259 /nfs/dbraw/zinc/95/92/59/1046959259.db2.gz GIEWWMYJXOZSLV-OAHLLOKOSA-N 0 0 396.516 3.620 20 10 GHCDRN CCN(CC)c1ccc(CN(C)c2nnc([C@H]3CC=NO3)n2CC2CC2)cc1 ZINC001263736752 1047079554 /nfs/dbraw/zinc/07/95/54/1047079554.db2.gz RLCURXKDSXGUJZ-LJQANCHMSA-N 0 0 382.512 3.618 20 10 GHCDRN CC(C)Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1C[C@@H]1CCOC1 ZINC001302846738 1047138891 /nfs/dbraw/zinc/13/88/91/1047138891.db2.gz VUVYMGXDPNRPHW-FQEVSTJZSA-N 0 0 397.567 3.750 20 10 GHCDRN Cc1c(CC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000747871239 1047206496 /nfs/dbraw/zinc/20/64/96/1047206496.db2.gz PXDXSGCDGPBEGG-UHFFFAOYSA-N 0 0 381.476 3.998 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Oc2ccc(-n3cnnn3)cc2)c1 ZINC001264060122 1047229292 /nfs/dbraw/zinc/22/92/92/1047229292.db2.gz NJFJZDMLAKVLGB-UHFFFAOYSA-N 0 0 393.834 3.942 20 10 GHCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(OCCC(C)C)cc2)c1 ZINC001463174054 1070877454 /nfs/dbraw/zinc/87/74/54/1070877454.db2.gz PRFGGYCWKCHZNO-HNNXBMFYSA-N 0 0 393.505 3.865 20 10 GHCDRN Cc1cc(C2=N/C(=C\c3ccc4c(c3)CCCN4C)C(=O)O2)ccc1[N+](=O)[O-] ZINC000748045152 1047308135 /nfs/dbraw/zinc/30/81/35/1047308135.db2.gz ZZPMJPLHJZWGGL-ATVHPVEESA-N 0 0 377.400 3.630 20 10 GHCDRN COC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@@H](C)C2 ZINC001264573314 1047381149 /nfs/dbraw/zinc/38/11/49/1047381149.db2.gz IPDPCGFPYOFACD-FRRDWIJNSA-N 0 0 393.505 3.576 20 10 GHCDRN COc1ccc(F)cc1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001264610307 1047388683 /nfs/dbraw/zinc/38/86/83/1047388683.db2.gz AVUHNKLMZZGAAB-UHFFFAOYSA-N 0 0 389.382 3.791 20 10 GHCDRN COc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)ccc1Br ZINC001264826923 1047467916 /nfs/dbraw/zinc/46/79/16/1047467916.db2.gz HIWTWFMIECLKLL-UHFFFAOYSA-N 0 0 381.245 3.593 20 10 GHCDRN Cc1cc(N(C)C)ccc1Cn1c(C(C)C)nnc1N(C[C@@H]1CCOC1)C1CC1 ZINC001304236381 1047621986 /nfs/dbraw/zinc/62/19/86/1047621986.db2.gz CRVYHPACISXBBI-SFHVURJKSA-N 0 0 397.567 3.830 20 10 GHCDRN Cc1cc(N(C)C)ccc1Cn1c(C2CCC2)nnc1N(C)C[C@H]1CCCO1 ZINC001304238886 1047623408 /nfs/dbraw/zinc/62/34/08/1047623408.db2.gz YETVIIBJKYFXQG-HXUWFJFHSA-N 0 0 383.540 3.584 20 10 GHCDRN Cc1cc(CC(=O)N2CCOC[C@H]2CC2CCOCC2)c(C)n1-c1ccccc1 ZINC001463234881 1070929887 /nfs/dbraw/zinc/92/98/87/1070929887.db2.gz UKABOQUKHGJXFQ-HSZRJFAPSA-N 0 0 396.531 3.681 20 10 GHCDRN CN(C)c1ccc([C@@H](CNC(=O)c2cnc(-c3ccccc3)s2)[NH+](C)C)cc1 ZINC001463276958 1070957212 /nfs/dbraw/zinc/95/72/12/1070957212.db2.gz BIOCYNMIUGNITQ-LJQANCHMSA-N 0 0 394.544 3.909 20 10 GHCDRN CC[C@@H](C)CN(C)c1nnc(C2CC2)n1Cc1ccc(N2CCOCC2)cc1 ZINC001305582932 1048154743 /nfs/dbraw/zinc/15/47/43/1048154743.db2.gz AIKUSCPTXJVDMD-QGZVFWFLSA-N 0 0 383.540 3.523 20 10 GHCDRN COc1ccc(OC)c(NC(=S)NNc2cccc(Br)c2)c1 ZINC000726452583 1048233710 /nfs/dbraw/zinc/23/37/10/1048233710.db2.gz KUTDYZAXOQZDTN-UHFFFAOYSA-N 0 0 382.283 3.780 20 10 GHCDRN COc1ccc2c(c1)C(=O)N(C)[C@H](c1ccc(N3CCCCC3)c([N+](=O)[O-])c1)N2 ZINC000726605554 1048234122 /nfs/dbraw/zinc/23/41/22/1048234122.db2.gz SXHIFVFTOJMQOF-HXUWFJFHSA-N 0 0 396.447 3.790 20 10 GHCDRN CCOC(=O)/C=C/c1ccc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000729035581 1048243995 /nfs/dbraw/zinc/24/39/95/1048243995.db2.gz HQJMCEREVIINDG-GMMCIKNFSA-N 0 0 384.432 3.860 20 10 GHCDRN C[C@H](NC(=O)Cc1coc(-c2cccs2)n1)c1ccc(N2CCOCC2)cc1 ZINC000729948175 1048244534 /nfs/dbraw/zinc/24/45/34/1048244534.db2.gz FCADULDNVRAVCZ-HNNXBMFYSA-N 0 0 397.500 3.660 20 10 GHCDRN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(N=NC(N)=O)cc3)sc2c1 ZINC001306237962 1048521588 /nfs/dbraw/zinc/52/15/88/1048521588.db2.gz OOTMLSJOXNAKGU-UHFFFAOYSA-N 0 0 382.405 3.669 20 10 GHCDRN CC(C)c1nnc(N(C)C2CCC2)n1Cc1ccc(N2CCSCC2)cc1 ZINC001287177839 1048626548 /nfs/dbraw/zinc/62/65/48/1048626548.db2.gz UJCIWJLHKIEQIT-UHFFFAOYSA-N 0 0 385.581 3.992 20 10 GHCDRN CC[C@@H]1CN(c2nnc(C(C)C)n2CCCSc2nccs2)CCO1 ZINC001306387585 1048632758 /nfs/dbraw/zinc/63/27/58/1048632758.db2.gz QVCIKYWXWHMQBK-CQSZACIVSA-N 0 0 381.571 3.656 20 10 GHCDRN CC[C@@H]1CN(c2nnc(C)n2Cc2ccc(N3CCC(C)CC3)cc2)C[C@@H](C)O1 ZINC001306398813 1048639345 /nfs/dbraw/zinc/63/93/45/1048639345.db2.gz JKEQOILSRVGKTL-XMSQKQJNSA-N 0 0 397.567 3.875 20 10 GHCDRN CC(C)Cc1nnc(N(C)CC(C)(C)C)n1Cc1ccc(N2CCOCC2)cc1 ZINC001287360709 1048733472 /nfs/dbraw/zinc/73/34/72/1048733472.db2.gz PCGVLDZKYAKPLA-UHFFFAOYSA-N 0 0 399.583 3.844 20 10 GHCDRN O=C1OC(C2=S=C3CCCCC3=C2)=N/C1=C/c1cc([N+](=O)[O-])c(F)cc1F ZINC000731414286 1048786820 /nfs/dbraw/zinc/78/68/20/1048786820.db2.gz AYCAWKPGAINFOE-WLRTZDKTSA-N 0 0 390.367 3.761 20 10 GHCDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000751355981 1048907730 /nfs/dbraw/zinc/90/77/30/1048907730.db2.gz JXBZWAMDEREACJ-UHFFFAOYSA-N 0 0 390.461 3.742 20 10 GHCDRN O=C(NCCCCc1nc(-c2ccccn2)cs1)c1c(F)ccc(O)c1O ZINC001306869862 1048936689 /nfs/dbraw/zinc/93/66/89/1048936689.db2.gz YFDSGXWHUOIZFE-UHFFFAOYSA-N 0 0 387.436 3.508 20 10 GHCDRN CO[C@]1(C(F)(F)F)CCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001288296748 1049031664 /nfs/dbraw/zinc/03/16/64/1049031664.db2.gz QRJWGEKGJGJKHG-LJQANCHMSA-N 0 0 380.410 3.816 20 10 GHCDRN COc1ccc(N(C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c(OC)c1 ZINC000752111083 1049109100 /nfs/dbraw/zinc/10/91/00/1049109100.db2.gz KZSPGFORNLHQSH-UHFFFAOYSA-N 0 0 398.362 3.858 20 10 GHCDRN Cc1cc(CC(=O)NCC[S@](=O)C(C)(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000732767935 1049212730 /nfs/dbraw/zinc/21/27/30/1049212730.db2.gz CIRQORSTUOPPDX-SANMLTNESA-N 0 0 394.968 3.953 20 10 GHCDRN Cc1cc(C(=O)CSc2cccc(C(N)=O)c2)c(C)n1-c1ccc(F)cn1 ZINC001307350007 1049217195 /nfs/dbraw/zinc/21/71/95/1049217195.db2.gz OZBLUAYUGGNSHA-UHFFFAOYSA-N 0 0 383.448 3.702 20 10 GHCDRN CCn1nc(C)c(CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)n1 ZINC001307466393 1049303896 /nfs/dbraw/zinc/30/38/96/1049303896.db2.gz ZZOKMGJJWBQOTN-UHFFFAOYSA-N 0 0 385.512 3.584 20 10 GHCDRN C[C@H]1SCCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1c1ccccc1 ZINC001307473820 1049310602 /nfs/dbraw/zinc/31/06/02/1049310602.db2.gz SOHBCJMWCILFLU-VGOFRKELSA-N 0 0 383.561 3.547 20 10 GHCDRN CC(C)N(CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1CCC1 ZINC001307530485 1049375518 /nfs/dbraw/zinc/37/55/18/1049375518.db2.gz XHGDZEFXWOHOBF-UHFFFAOYSA-N 0 0 376.456 3.663 20 10 GHCDRN CCOc1ccc(N(CC)CC(=O)N=c2cc[nH]n2Cc2cccc(C)c2)cc1 ZINC001307565618 1049405916 /nfs/dbraw/zinc/40/59/16/1049405916.db2.gz DQEMUZWFBCLJEK-UHFFFAOYSA-N 0 0 392.503 3.525 20 10 GHCDRN C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC001307590210 1049429238 /nfs/dbraw/zinc/42/92/38/1049429238.db2.gz SPYHPICZRYAVAG-PMPSAXMXSA-N 0 0 390.483 3.767 20 10 GHCDRN CCOC(=O)c1[nH]c(C)c(C(=O)CN2CCCCc3cc(OC)ccc32)c1C ZINC001307591997 1049430495 /nfs/dbraw/zinc/43/04/95/1049430495.db2.gz VJRDKDCQXMTGHE-UHFFFAOYSA-N 0 0 384.476 3.842 20 10 GHCDRN Cc1cc(CC(=O)N2CCC[C@@H](Cc3nc(C)no3)C2)c(C)n1-c1ccccc1 ZINC001289340664 1049430716 /nfs/dbraw/zinc/43/07/16/1049430716.db2.gz KWPGSZFNRQJMHL-IBGZPJMESA-N 0 0 392.503 3.809 20 10 GHCDRN Cc1cc(N(C)C)ccc1Cn1c(CC(C)(C)C)nnc1N(C)C[C@H]1CCOC1 ZINC001289423771 1049479597 /nfs/dbraw/zinc/47/95/97/1049479597.db2.gz PIBOEFOTIABGPQ-GOSISDBHSA-N 0 0 399.583 3.762 20 10 GHCDRN Cc1cc(N(C)C)ccc1Cn1c(C2CC2)nnc1N1CCC(CCCO)CC1 ZINC001289424345 1049480689 /nfs/dbraw/zinc/48/06/89/1049480689.db2.gz VGSPXLLBFBYHMY-UHFFFAOYSA-N 0 0 397.567 3.567 20 10 GHCDRN CCOC(=O)c1cnn2c1[nH]c(CN(CC(C)C)c1ccc(CC)cc1)cc2=O ZINC001307739629 1049552957 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1056936322 /nfs/dbraw/zinc/93/63/22/1056936322.db2.gz OJWGCCYMRZTXFL-UHFFFAOYSA-N 0 0 389.499 3.898 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)c3cnn(C4CCCCC4)c3)CC2)cc1 ZINC001323193174 1056936579 /nfs/dbraw/zinc/93/65/79/1056936579.db2.gz MBHJXCURUSURKQ-UHFFFAOYSA-N 0 0 382.508 3.749 20 10 GHCDRN Cn1ncc(NCc2ccc(N3CCN(C)CC3)c(F)c2)c1-c1ccccc1 ZINC001323676355 1056998485 /nfs/dbraw/zinc/99/84/85/1056998485.db2.gz BLNXBUHJVJPJFH-UHFFFAOYSA-N 0 0 379.483 3.590 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCCO[C@@H]2CCOC2)c1 ZINC001323769404 1057010433 /nfs/dbraw/zinc/01/04/33/1057010433.db2.gz IVXUPOFBMKFSCZ-QGZVFWFLSA-N 0 0 376.884 3.673 20 10 GHCDRN CC[C@@H](Cc1ccccc1C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001355131228 1057058464 /nfs/dbraw/zinc/05/84/64/1057058464.db2.gz UOLIKMBFCPOVGE-IBGZPJMESA-N 0 0 384.495 3.856 20 10 GHCDRN COC(=O)[C@@H](c1ccccc1)N(C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC001324424731 1057131004 /nfs/dbraw/zinc/13/10/04/1057131004.db2.gz MHHWHAMLKGYSAZ-JOCHJYFZSA-N 0 0 382.504 3.648 20 10 GHCDRN CCN(CC)c1ccc(CNc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)cc1F ZINC000848561702 1057179994 /nfs/dbraw/zinc/17/99/94/1057179994.db2.gz BZAKFTYSMLPANF-QFIPXVFZSA-N 0 0 398.482 3.681 20 10 GHCDRN CC(C)[C@@H]1C[C@@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CCO1 ZINC001355506441 1057190941 /nfs/dbraw/zinc/19/09/41/1057190941.db2.gz GAZCRWPIUAINPI-XOBRGWDASA-N 0 0 377.440 3.852 20 10 GHCDRN Cc1c(Br)c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nn1C ZINC001355636669 1057237631 /nfs/dbraw/zinc/23/76/31/1057237631.db2.gz WZHZIZCXKGTBIC-UHFFFAOYSA-N 0 0 393.329 3.608 20 10 GHCDRN CN1CCN(c2ccc(CNCc3ccsc3Br)cc2F)CC1 ZINC001325205361 1057289498 /nfs/dbraw/zinc/28/94/98/1057289498.db2.gz QHOZPDGBWQQFEH-UHFFFAOYSA-N 0 0 398.345 3.691 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2cccc(C)c2)cc1 ZINC001355910986 1057311497 /nfs/dbraw/zinc/31/14/97/1057311497.db2.gz LVRCYLQAOPPKIG-JOCHJYFZSA-N 0 0 393.531 3.762 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@@]2(C)CCCN2C(=O)OC(C)(C)C)cc1 ZINC001355912389 1057311923 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GHCDRN CC(C)(C)OCc1ccccc1NC(=O)C(=O)NCc1cc(Cl)ccc1O ZINC001339952490 1059577598 /nfs/dbraw/zinc/57/75/98/1059577598.db2.gz HOMCDNQSDSGABV-UHFFFAOYSA-N 0 0 390.867 3.616 20 10 GHCDRN CCCCc1ccc(N2C[C@@H](C(=O)N(C)Cc3ccccc3O)CC2=O)cc1 ZINC001445645243 1059585676 /nfs/dbraw/zinc/58/56/76/1059585676.db2.gz JSHJDPXWOREBPW-IBGZPJMESA-N 0 0 380.488 3.746 20 10 GHCDRN CCC(=O)[C@@H]1CCCCN1C(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001446305644 1059751019 /nfs/dbraw/zinc/75/10/19/1059751019.db2.gz ZJGZSYBSNWDXNS-NRFANRHFSA-N 0 0 382.504 3.889 20 10 GHCDRN CCNc1ncc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1Cl ZINC001446566530 1059801071 /nfs/dbraw/zinc/80/10/71/1059801071.db2.gz LNBHTNHIBOGFBS-INIZCTEOSA-N 0 0 389.883 3.694 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@@H](OCCO)C2)c(C)n1-c1cccc(C(C)C)c1 ZINC001447725358 1060010588 /nfs/dbraw/zinc/01/05/88/1060010588.db2.gz JRNLAGVGNHTOFL-OAQYLSRUSA-N 0 0 384.520 3.831 20 10 GHCDRN CCOc1ccc(N2CCN(Cc3nc([C@H](C)SCC)no3)CC2)cc1 ZINC001341377692 1060626134 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Cc1cc(C(=O)N2CCN([C@@H]3CCOC3)CC2)c(C)n1-c1cccc(C(C)C)c1 ZINC001452959760 1061051464 /nfs/dbraw/zinc/05/14/64/1061051464.db2.gz HCXHQMFYFYRFKR-JOCHJYFZSA-N 0 0 395.547 3.764 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](c3ccncc3)C3CCCC3)C2)cc1 ZINC001453214086 1061094896 /nfs/dbraw/zinc/09/48/96/1061094896.db2.gz JIJPPXJHKRNIBC-DENIHFKCSA-N 0 0 379.504 3.759 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)c2[nH]nc(-c3ccccc3)c2Br)c1 ZINC001453646616 1061174306 /nfs/dbraw/zinc/17/43/06/1061174306.db2.gz BHBZOGUNLVHJEW-UHFFFAOYSA-N 0 0 386.249 3.783 20 10 GHCDRN Cc1n[nH]c(C)c1[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1CC1CC1 ZINC001346104128 1061365641 /nfs/dbraw/zinc/36/56/41/1061365641.db2.gz RYZRYXWAPPKPSW-ZDUSSCGKSA-N 0 0 380.496 3.522 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3c(Cl)ccnc3F)cc2F)C[C@@H](C)O1 ZINC001346200485 1061445314 /nfs/dbraw/zinc/44/53/14/1061445314.db2.gz OOGFIWYYPMJRES-VXGBXAGGSA-N 0 0 395.837 3.557 20 10 GHCDRN Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCCOC2)nnc1N(C)CC(C)C ZINC001361097644 1061597657 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Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])cc1 ZINC000786580569 876768438 /nfs/dbraw/zinc/76/84/38/876768438.db2.gz BNSYHNIAVIECRK-OCCSQVGLSA-N 0 0 382.273 3.856 20 10 GHCDRN O=S1(=O)CCCN1Cc1cccc(NCc2ccc(N3CCCCC3)cc2)c1 ZINC000850343449 876832359 /nfs/dbraw/zinc/83/23/59/876832359.db2.gz SYEMAMAQPBCXDH-UHFFFAOYSA-N 0 0 399.560 3.825 20 10 GHCDRN C[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)C1(C)C)c1ccc(N2CCOCC2)cc1 ZINC000786726253 876888370 /nfs/dbraw/zinc/88/83/70/876888370.db2.gz ZPRWJJGSQVSGSE-WMLDXEAASA-N 0 0 399.457 3.957 20 10 GHCDRN CC[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)(F)F ZINC000786782355 876934947 /nfs/dbraw/zinc/93/49/47/876934947.db2.gz JVYDFQYUUQPVPO-RISCZKNCSA-N 0 0 395.372 3.897 20 10 GHCDRN CO[C@H](CCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)C(F)(F)F ZINC000786850564 876982757 /nfs/dbraw/zinc/98/27/57/876982757.db2.gz LODQXRJYZCQGIN-MRXNPFEDSA-N 0 0 375.435 3.640 20 10 GHCDRN CC[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC000850517758 876990142 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20 10 GHCDRN C[C@H](CC1CCCCC1)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000786994743 877070641 /nfs/dbraw/zinc/07/06/41/877070641.db2.gz BQIPQCVQWGYXKA-MRXNPFEDSA-N 0 0 377.504 3.820 20 10 GHCDRN COC(=O)c1cncc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)c1 ZINC000776480512 877075200 /nfs/dbraw/zinc/07/52/00/877075200.db2.gz QBLMNHYOPUBNJG-UHFFFAOYSA-N 0 0 383.448 3.941 20 10 GHCDRN Cn1cc(/C=C\C(=O)N2CCCc3cc(Cl)cc(Br)c32)cn1 ZINC001129692365 883100064 /nfs/dbraw/zinc/10/00/64/883100064.db2.gz SDTOVENBHGIAHX-PLNGDYQASA-N 0 0 380.673 3.829 20 10 GHCDRN CC(C)[C@@H]1C(=O)NCCN1C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000772694246 877146188 /nfs/dbraw/zinc/14/61/88/877146188.db2.gz MSHFQBNNSYLQEK-HXUWFJFHSA-N 0 0 393.491 3.765 20 10 GHCDRN COc1ccc(O)c(CNC(=O)N[C@@H](C)c2cccc(OC(F)(F)F)c2)c1 ZINC000175600632 877347380 /nfs/dbraw/zinc/34/73/80/877347380.db2.gz ZOCNTXIKGAEPLD-NSHDSACASA-N 0 0 384.354 3.860 20 10 GHCDRN CCCC[C@@H](CCC)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000175650474 877394899 /nfs/dbraw/zinc/39/48/99/877394899.db2.gz GCRSMRMZMFDQRI-QGZVFWFLSA-N 0 0 379.520 3.945 20 10 GHCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@@H](C[C@@H]3COCCO3)C(F)(F)F)cc12 ZINC000851092523 877396873 /nfs/dbraw/zinc/39/68/73/877396873.db2.gz KOLXHSDXYBDUAQ-GDBMZVCRSA-N 0 0 385.382 3.685 20 10 GHCDRN Cc1ccc(OCCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1C ZINC000109179855 877441100 /nfs/dbraw/zinc/44/11/00/877441100.db2.gz TZUKFIHPZGEXJR-LJQANCHMSA-N 0 0 382.504 3.786 20 10 GHCDRN CC(C)Oc1ccccc1[C@@H](C)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000787881707 877686015 /nfs/dbraw/zinc/68/60/15/877686015.db2.gz XIFXHMQBRSGMOI-IAGOWNOFSA-N 0 0 397.519 3.594 20 10 GHCDRN CC(C)Oc1cccc([C@@H](C)NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000787881008 877686118 /nfs/dbraw/zinc/68/61/18/877686118.db2.gz UOVPLWFAERMWLK-DLBZAZTESA-N 0 0 397.519 3.594 20 10 GHCDRN CCC(CC)[C@H](CCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)OC ZINC000746716940 877748366 /nfs/dbraw/zinc/74/83/66/877748366.db2.gz PYQUIOGZGKZNML-UWJYYQICSA-N 0 0 391.556 3.725 20 10 GHCDRN CN(C)c1ccc(CNC(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1F ZINC000746718875 877756554 /nfs/dbraw/zinc/75/65/54/877756554.db2.gz PJLSRGXLPPVCEV-UHFFFAOYSA-N 0 0 399.388 3.832 20 10 GHCDRN Cc1cccc(C)c1NC(=O)CN(C)Cc1cc(Br)ccc1O ZINC000179629133 877764409 /nfs/dbraw/zinc/76/44/09/877764409.db2.gz BXBPVUOYWDVTNI-UHFFFAOYSA-N 0 0 377.282 3.842 20 10 GHCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@H](O)CCOC(C)C ZINC000788068256 877820376 /nfs/dbraw/zinc/82/03/76/877820376.db2.gz LCGGNYGIYRLNPR-MRXNPFEDSA-N 0 0 392.521 3.609 20 10 GHCDRN CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001183094841 912279493 /nfs/dbraw/zinc/27/94/93/912279493.db2.gz LUGXSUNIEJDGRA-NSHDSACASA-N 0 0 389.721 3.545 20 10 GHCDRN CNC(=O)c1cncc(/C=C/C(=O)N(Cc2ccccc2)c2cccc(C)c2)c1 ZINC000110176827 877894109 /nfs/dbraw/zinc/89/41/09/877894109.db2.gz LNFNQQIWMBJXQJ-VAWYXSNFSA-N 0 0 385.467 3.996 20 10 GHCDRN CO[C@H](CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21)[C@H]1CCOC1 ZINC000851765440 877906234 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GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cccc(OC2CC2)c1F ZINC000852138911 878096983 /nfs/dbraw/zinc/09/69/83/878096983.db2.gz WAHQZMGZFDYUCK-UHFFFAOYSA-N 0 0 381.451 3.743 20 10 GHCDRN C[C@@H](NC(=O)N[C@@H]1CCc2ccccc2-n2ccnc21)c1ccc(N(C)C)cc1 ZINC000852261104 878182106 /nfs/dbraw/zinc/18/21/06/878182106.db2.gz KPOMABNFUAMHPN-OXQOHEQNSA-N 0 0 389.503 3.986 20 10 GHCDRN C[C@@H](NC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000852262034 878183695 /nfs/dbraw/zinc/18/36/95/878183695.db2.gz YBJIYGQZTVZPIO-OAHLLOKOSA-N 0 0 392.544 3.758 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000852303312 878219293 /nfs/dbraw/zinc/21/92/93/878219293.db2.gz YVEXZINYJFHWSC-LEWJYISDSA-N 0 0 399.922 3.656 20 10 GHCDRN Cc1nnc(CN(C)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)o1 ZINC000852308931 878225738 /nfs/dbraw/zinc/22/57/38/878225738.db2.gz RTDXSARBCGCUCX-CYBMUJFWSA-N 0 0 391.903 3.609 20 10 GHCDRN CCNC(=O)Nc1cccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)c1C ZINC000788727385 878278559 /nfs/dbraw/zinc/27/85/59/878278559.db2.gz QKPNSWDDJPTLNW-UHFFFAOYSA-N 0 0 387.459 3.663 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(O[C@H]3CCOC3)cc2)cc1F ZINC000788750962 878286750 /nfs/dbraw/zinc/28/67/50/878286750.db2.gz KZWKUHAWZLEDSM-IBGZPJMESA-N 0 0 386.467 3.770 20 10 GHCDRN C[C@H]1CN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C(C)(C)C1 ZINC000746760640 878291417 /nfs/dbraw/zinc/29/14/17/878291417.db2.gz YLMYHWKZONICCR-OAGGEKHMSA-N 0 0 377.504 3.769 20 10 GHCDRN CN(Cc1sccc1Br)Cc1ccc(N2CCOCC2)cc1 ZINC000068298783 878308343 /nfs/dbraw/zinc/30/83/43/878308343.db2.gz WSBLABYQNTUOQP-UHFFFAOYSA-N 0 0 381.339 3.979 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1nc(Cl)cs1 ZINC000788741847 878315691 /nfs/dbraw/zinc/31/56/91/878315691.db2.gz PUVVNIWBQMJLFM-UHFFFAOYSA-N 0 0 387.839 3.797 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3cccc4c3OCC4(C)C)CC2)cc1 ZINC000788742151 878316072 /nfs/dbraw/zinc/31/60/72/878316072.db2.gz MALUCHZABZLZEQ-UHFFFAOYSA-N 0 0 380.488 3.718 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N3CCC(c4ccsc4)CC3)C2)cc1 ZINC000852451971 878334177 /nfs/dbraw/zinc/33/41/77/878334177.db2.gz RWZVVOKFDARXLM-GOSISDBHSA-N 0 0 385.533 3.925 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N(C)Cc3nc4ccccc4s3)C2)cc1 ZINC000852454743 878335370 /nfs/dbraw/zinc/33/53/70/878335370.db2.gz JSURNCDDDRGYRP-OAHLLOKOSA-N 0 0 396.516 3.725 20 10 GHCDRN COC(=O)c1cc2cc(NC(=O)NCc3ccc(N(C)C)c(F)c3)ccc2o1 ZINC000746763907 878341632 /nfs/dbraw/zinc/34/16/32/878341632.db2.gz KYCVWIYSSNYYLD-UHFFFAOYSA-N 0 0 385.395 3.746 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)NC[C@@H](OC2CCCC2)C(F)(F)F)cc1 ZINC000852496403 878376865 /nfs/dbraw/zinc/37/68/65/878376865.db2.gz OISWURMKWHPAET-QGZVFWFLSA-N 0 0 387.446 3.784 20 10 GHCDRN CC(C)[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@@H](O)c1ccccc1 ZINC000788875192 878399914 /nfs/dbraw/zinc/39/99/14/878399914.db2.gz PLJMTJWEJIQPJO-YADHBBJMSA-N 0 0 381.520 3.844 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180039613 878420541 /nfs/dbraw/zinc/42/05/41/878420541.db2.gz JHSHATCKAWOYQG-UHFFFAOYSA-N 0 0 397.431 3.586 20 10 GHCDRN CCC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)C1CCCCC1 ZINC000788928737 878426895 /nfs/dbraw/zinc/42/68/95/878426895.db2.gz CSCMTTVHWPCHTO-OAQYLSRUSA-N 0 0 385.552 3.768 20 10 GHCDRN Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cnn1C(C)C ZINC000180074089 878441581 /nfs/dbraw/zinc/44/15/81/878441581.db2.gz KGYLQUSCGOFHIP-FQEVSTJZSA-N 0 0 384.524 3.660 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCc2cccc(C(C)C)c2)cc1 ZINC000788955127 878463002 /nfs/dbraw/zinc/46/30/02/878463002.db2.gz SCJIFTMZNJJWFH-UHFFFAOYSA-N 0 0 381.520 3.589 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2C[C@@H](OC(C)(C)C)C23CCC3)c1 ZINC000852606126 878463045 /nfs/dbraw/zinc/46/30/45/878463045.db2.gz SZGYXYUYRCYJNN-DOPJRALCSA-N 0 0 376.497 3.887 20 10 GHCDRN CCCN(Cc1ccccc1)C(=O)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000788955784 878463326 /nfs/dbraw/zinc/46/33/26/878463326.db2.gz VIQOQKRJXZASDX-UHFFFAOYSA-N 0 0 381.520 3.588 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H](C)Cc2ccc(C)cc2)cc1 ZINC000788969153 878476887 /nfs/dbraw/zinc/47/68/87/878476887.db2.gz ZTEUECXSKVXQJB-LJQANCHMSA-N 0 0 395.547 3.547 20 10 GHCDRN CSc1cccc(-n2c(C)cc(C(=O)CN3CCc4nccnc4C3)c2C)c1 ZINC000852699475 878535435 /nfs/dbraw/zinc/53/54/35/878535435.db2.gz NZOSWUGYFYWPRF-UHFFFAOYSA-N 0 0 392.528 3.847 20 10 GHCDRN Cc1cc(C(=O)CN(C)Cc2nnc(C)s2)c(C)n1-c1ccc(Cl)cn1 ZINC000852745681 878575695 /nfs/dbraw/zinc/57/56/95/878575695.db2.gz ZZYHIKAWJJVTQF-UHFFFAOYSA-N 0 0 389.912 3.617 20 10 GHCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000068480175 878610471 /nfs/dbraw/zinc/61/04/71/878610471.db2.gz HYTXREOIPKDXKA-JKSUJKDBSA-N 0 0 398.463 3.553 20 10 GHCDRN COC(=O)Nc1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000068483991 878615088 /nfs/dbraw/zinc/61/50/88/878615088.db2.gz ZVKIHQMVRLXEOP-OAHLLOKOSA-N 0 0 398.463 3.584 20 10 GHCDRN Nc1ccc(Cc2nc(C(=O)N3CCC([C@H]4CCCCO4)CC3)cs2)cc1 ZINC000852863295 878637570 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CC[C@H](C)n1ncc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1C ZINC000792477465 881132743 /nfs/dbraw/zinc/13/27/43/881132743.db2.gz AUAMAOGQDWHULO-AWEZNQCLSA-N 0 0 389.475 3.664 20 10 GHCDRN O=S(=O)(Cc1cccc(C(F)(F)F)c1)NCCCSc1nccs1 ZINC000114210292 881208043 /nfs/dbraw/zinc/20/80/43/881208043.db2.gz MFDLYIUBGKOUIL-UHFFFAOYSA-N 0 0 396.481 3.764 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](c2ccncc2)C2(CO)CCC2)c(C)n1-c1ccccn1 ZINC000856456759 881245230 /nfs/dbraw/zinc/24/52/30/881245230.db2.gz SUKAVIVKHFQDRB-NRFANRHFSA-N 0 0 390.487 3.518 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](COCC(C)C)c2ccco2)c1 ZINC000103515363 881261792 /nfs/dbraw/zinc/26/17/92/881261792.db2.gz STOJOPTXAQVSKQ-YOEHRIQHSA-N 0 0 376.453 3.768 20 10 GHCDRN CC[C@]1(C(=O)N[C@H](C)c2cc(OC)ccc2O)CCCN1C(=O)OC(C)(C)C ZINC000772805301 881268212 /nfs/dbraw/zinc/26/82/12/881268212.db2.gz WWKTXXUYGPOKTA-SPLOXXLWSA-N 0 0 392.496 3.758 20 10 GHCDRN CC(C)(C)OC(=O)[C@H]1c2ccccc2CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000856483700 881280094 /nfs/dbraw/zinc/28/00/94/881280094.db2.gz JKTOVJIAKPUFGO-FKVRIVCVSA-N 0 0 395.455 3.579 20 10 GHCDRN Cc1ccc(Cl)cc1NC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000152988407 881326079 /nfs/dbraw/zinc/32/60/79/881326079.db2.gz JRVGHJNINSJTDI-UHFFFAOYSA-N 0 0 387.911 3.556 20 10 GHCDRN Cc1cc(C(=O)NC[C@H](CO)Cc2ccco2)c(C)n1-c1cccc(Cl)c1 ZINC000919980599 881336173 /nfs/dbraw/zinc/33/61/73/881336173.db2.gz RRHXOAXEIMVCHA-MRXNPFEDSA-N 0 0 386.879 3.922 20 10 GHCDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000188906016 881339300 /nfs/dbraw/zinc/33/93/00/881339300.db2.gz FKBHMYAWDFEGKO-UHFFFAOYSA-N 0 0 387.461 3.812 20 10 GHCDRN CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000858498098 883152865 /nfs/dbraw/zinc/15/28/65/883152865.db2.gz MEJWPXFVWHYCFL-MGPQQGTHSA-N 0 0 395.352 3.600 20 10 GHCDRN C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1cc(Br)c(F)cc1[O-] ZINC000858537445 883183466 /nfs/dbraw/zinc/18/34/66/883183466.db2.gz OLWAPTDKBOZIJJ-AEYAVQINSA-N 0 0 397.244 3.575 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)NCC3(C(F)(F)F)CCCC3)C2)cc1 ZINC000858551563 883191616 /nfs/dbraw/zinc/19/16/16/883191616.db2.gz JSVXSQNPMSESBT-OAHLLOKOSA-N 0 0 399.457 3.943 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)NCC(C)(C)c3ccc(C)cn3)C2)cc1 ZINC000858552542 883193228 /nfs/dbraw/zinc/19/32/28/883193228.db2.gz UEHJJDWDNAGTSV-SFHVURJKSA-N 0 0 396.535 3.502 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CCCC12CC2 ZINC000858575961 883210448 /nfs/dbraw/zinc/21/04/48/883210448.db2.gz GGYIXQZZXOHKRD-MRXNPFEDSA-N 0 0 382.426 3.739 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cnnn1-c1ccccc1Cl ZINC001129814038 883225696 /nfs/dbraw/zinc/22/56/96/883225696.db2.gz BRDHEVKACVVCGT-HNNXBMFYSA-N 0 0 397.910 3.656 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cnc2c(cnn2CC(C)C)c1 ZINC001129815346 883226227 /nfs/dbraw/zinc/22/62/27/883226227.db2.gz WPOWFVNRBQQBJJ-QGZVFWFLSA-N 0 0 393.535 3.823 20 10 GHCDRN COc1ccc(N2CC[C@@H](Nc3nccc(N4Cc5ccccc5C4)n3)C2)cc1 ZINC000858621708 883238309 /nfs/dbraw/zinc/23/83/09/883238309.db2.gz YUJWPAZRMICGDV-LJQANCHMSA-N 0 0 387.487 3.696 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)cc2F)C[C@H](C)O1 ZINC000858626130 883241762 /nfs/dbraw/zinc/24/17/62/883241762.db2.gz QFFDYTCIFUGNLM-JXTHDMJZSA-N 0 0 394.490 3.641 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3coc(C(F)F)c3)cc2F)C[C@H](C)O1 ZINC000858626342 883242700 /nfs/dbraw/zinc/24/27/00/883242700.db2.gz ZBMVAVWDRQKSOF-TXEJJXNPSA-N 0 0 382.382 3.900 20 10 GHCDRN OC1CCN(c2ccc(CNc3ncc(Br)cc3F)cc2)CC1 ZINC000858633780 883245942 /nfs/dbraw/zinc/24/59/42/883245942.db2.gz CYKMWMGEMLDVEA-UHFFFAOYSA-N 0 0 380.261 3.556 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000747208402 883249547 /nfs/dbraw/zinc/24/95/47/883249547.db2.gz YZJXGZNCQOGNOD-JOCHJYFZSA-N 0 0 381.495 3.707 20 10 GHCDRN O=C(NCc1ccsc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000175093937 883261557 /nfs/dbraw/zinc/26/15/57/883261557.db2.gz XRPODPJTHGKROZ-AWEZNQCLSA-N 0 0 381.448 3.818 20 10 GHCDRN Cc1cc(C(=O)NC[C@@H](O)COc2cccc(F)c2)c(C)n1-c1ccccc1C ZINC000747210530 883283924 /nfs/dbraw/zinc/28/39/24/883283924.db2.gz GURKPEKBEJWSMI-LJQANCHMSA-N 0 0 396.462 3.711 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000183797476 883287829 /nfs/dbraw/zinc/28/78/29/883287829.db2.gz OMEILXSYQFQWOA-IWHGQQBYSA-N 0 0 393.361 3.730 20 10 GHCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@]3(CC(=O)c4ccccc4O3)C2)cc1OC ZINC000858714529 883297581 /nfs/dbraw/zinc/29/75/81/883297581.db2.gz WFXVMGAILQDCJX-NRFANRHFSA-N 0 0 398.415 3.616 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000804733571 883314074 /nfs/dbraw/zinc/31/40/74/883314074.db2.gz UCDLWHXTWQKSEW-JSGCOSHPSA-N 0 0 382.204 3.853 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)[C@@H]1SCCc2ccccc21 ZINC000804734506 883315060 /nfs/dbraw/zinc/31/50/60/883315060.db2.gz ODQRNWDJGMOIHM-MRXNPFEDSA-N 0 0 378.291 3.802 20 10 GHCDRN Cc1ccccc1-n1cc(C(=O)NCc2cc(Br)ccc2O)cn1 ZINC000804733058 883315140 /nfs/dbraw/zinc/31/51/40/883315140.db2.gz HXNKNSUBMRNAMH-UHFFFAOYSA-N 0 0 386.249 3.579 20 10 GHCDRN CCCn1ncc(C(=O)NCc2cc(Br)ccc2O)c1C1CC1 ZINC000804732813 883315155 /nfs/dbraw/zinc/31/51/55/883315155.db2.gz CHIUAVAWLATFIM-UHFFFAOYSA-N 0 0 378.270 3.569 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)c1ccc(C(F)(F)F)c(O)c1 ZINC000804733154 883315708 /nfs/dbraw/zinc/31/57/08/883315708.db2.gz KJAARJOKXKVAGS-UHFFFAOYSA-N 0 0 390.155 3.809 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)c1cnc(-c2ccncc2)s1 ZINC000804737547 883319673 /nfs/dbraw/zinc/31/96/73/883319673.db2.gz KYLOYYYWHQVAMX-UHFFFAOYSA-N 0 0 390.262 3.603 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)c1csc(C(F)(F)F)n1 ZINC000804738561 883321641 /nfs/dbraw/zinc/32/16/41/883321641.db2.gz UUDGWSWQBPLSAS-UHFFFAOYSA-N 0 0 381.173 3.560 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)C(F)(F)c1c(F)cccc1F ZINC000804738537 883321680 /nfs/dbraw/zinc/32/16/80/883321680.db2.gz UICHZJOPAJKZIJ-UHFFFAOYSA-N 0 0 392.146 3.841 20 10 GHCDRN C[C@@H](NC(=O)C1CCc2ccccc2CC1)c1ccc(N2CCOCC2)cc1 ZINC000858785491 883356173 /nfs/dbraw/zinc/35/61/73/883356173.db2.gz HYJQAIFHLKXMBW-GOSISDBHSA-N 0 0 378.516 3.896 20 10 GHCDRN Cc1cn2c(n1)C[C@@H](C(=O)NCc1ccc(N(C)C3CCCCC3)cc1)CC2 ZINC000858830160 883386303 /nfs/dbraw/zinc/38/63/03/883386303.db2.gz RGTLSNKBHMYZJC-IBGZPJMESA-N 0 0 380.536 3.839 20 10 GHCDRN Cc1nc(-c2ccncc2)nc(NCc2cc(Br)ccc2O)c1C ZINC000804828392 883390753 /nfs/dbraw/zinc/39/07/53/883390753.db2.gz PDSDPSZCDHNKOR-UHFFFAOYSA-N 0 0 385.265 3.658 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001129973288 883396814 /nfs/dbraw/zinc/39/68/14/883396814.db2.gz GEHRORQCMQXZPO-WBAXXEDZSA-N 0 0 386.458 3.998 20 10 GHCDRN Cc1ccccc1C1=NO[C@@H](C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001129974455 883397935 /nfs/dbraw/zinc/39/79/35/883397935.db2.gz PTANEMIPOQZLJI-HTAPYJJXSA-N 0 0 379.504 3.610 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1 ZINC001129974467 883397951 /nfs/dbraw/zinc/39/79/51/883397951.db2.gz PVASEFZSBQUCGM-OHCBKRAQSA-N 0 0 399.579 3.535 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1csc(-c2ccccn2)n1 ZINC001129975265 883399083 /nfs/dbraw/zinc/39/90/83/883399083.db2.gz XKWBIAQZHMFSJL-OAHLLOKOSA-N 0 0 380.517 3.941 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001129975138 883399899 /nfs/dbraw/zinc/39/98/99/883399899.db2.gz WADGAGCDQXBMCO-CQSZACIVSA-N 0 0 390.430 3.672 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)C[C@H](C)c2ccccc2)cc1F ZINC000804850212 883433466 /nfs/dbraw/zinc/43/34/66/883433466.db2.gz AKRORYRLBSGJNI-KRWDZBQOSA-N 0 0 399.510 3.550 20 10 GHCDRN Cc1cc(CNC(=O)N(C)[C@H](C)C(=O)NC(C)(C)C)c(C)n1-c1ccccc1 ZINC000858906015 883445126 /nfs/dbraw/zinc/44/51/26/883445126.db2.gz NCRWTZOJBKOETB-QGZVFWFLSA-N 0 0 384.524 3.539 20 10 GHCDRN Cc1cc(CNC(=O)N2CCC3(CC2)OCCCO3)c(C)n1-c1ccccc1 ZINC000858906780 883447295 /nfs/dbraw/zinc/44/72/95/883447295.db2.gz QAANUDRBZCDPPC-UHFFFAOYSA-N 0 0 383.492 3.533 20 10 GHCDRN COc1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])c(OC)c1 ZINC000804936079 883469736 /nfs/dbraw/zinc/46/97/36/883469736.db2.gz HOHPACYZHCSHEZ-UHFFFAOYSA-N 0 0 385.247 3.716 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000175220077 883486223 /nfs/dbraw/zinc/48/62/23/883486223.db2.gz CAGNCAMFVIGIFA-VIFPVBQESA-N 0 0 395.209 3.563 20 10 GHCDRN C[C@@H]1C[C@H]1c1ccc(CNC(=O)NCc2cc(Br)ccc2O)o1 ZINC000804931242 883497378 /nfs/dbraw/zinc/49/73/78/883497378.db2.gz KJFNJPJOYMSESG-QMTHXVAHSA-N 0 0 379.254 3.871 20 10 GHCDRN O=S(=O)(NCc1ccc(N2CCSCC2)cc1)c1ccc(C(F)F)cc1 ZINC000804957427 883510624 /nfs/dbraw/zinc/51/06/24/883510624.db2.gz VEONVUYKZPWAFZ-UHFFFAOYSA-N 0 0 398.500 3.656 20 10 GHCDRN C[C@@H](COc1cccc(F)c1)NC(=O)NCc1cc(Br)ccc1O ZINC000804974581 883522608 /nfs/dbraw/zinc/52/26/08/883522608.db2.gz NMHFDRZNJGYSCS-NSHDSACASA-N 0 0 397.244 3.561 20 10 GHCDRN CCO[C@H](CS(=O)(=O)N(Cc1ccccc1O)C1CCCCC1)C1CC1 ZINC000859001441 883529535 /nfs/dbraw/zinc/52/95/35/883529535.db2.gz GWEXZTSMQXWAHH-HXUWFJFHSA-N 0 0 381.538 3.672 20 10 GHCDRN COc1ccc([C@H](C)NC(=O)NCc2cc(Br)ccc2O)cc1 ZINC000805018737 883535327 /nfs/dbraw/zinc/53/53/27/883535327.db2.gz TUEMGLOFIGSOAQ-NSHDSACASA-N 0 0 379.254 3.724 20 10 GHCDRN CC[C@@H](C)[C@@H](C)N(C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)C1CC1 ZINC000805024234 883539311 /nfs/dbraw/zinc/53/93/11/883539311.db2.gz QEOXDOVUPGVRKE-RTBURBONSA-N 0 0 399.579 3.965 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000805012447 883553306 /nfs/dbraw/zinc/55/33/06/883553306.db2.gz IJRVHCWRDVRSLQ-LSDHHAIUSA-N 0 0 379.229 3.649 20 10 GHCDRN Cc1csc(C(C)(C)NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000116538200 883585024 /nfs/dbraw/zinc/58/50/24/883585024.db2.gz AIRKSFMSUKOSIF-OAHLLOKOSA-N 0 0 388.537 3.584 20 10 GHCDRN CCc1[nH]nc(Cl)c1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000859098602 883587528 /nfs/dbraw/zinc/58/75/28/883587528.db2.gz NQXXWUJFXWLQGF-UHFFFAOYSA-N 0 0 398.841 3.626 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)N[C@@H]1CCc2ccc(F)cc21 ZINC000805081973 883598717 /nfs/dbraw/zinc/59/87/17/883598717.db2.gz HKUAUAUACRHNJD-OAHLLOKOSA-N 0 0 379.229 3.781 20 10 GHCDRN COCCN(Cc1cccnc1)C(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC000859150486 883620621 /nfs/dbraw/zinc/62/06/21/883620621.db2.gz ZXYJUSFOGKJHFU-UHFFFAOYSA-N 0 0 391.471 3.590 20 10 GHCDRN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000914485072 883621823 /nfs/dbraw/zinc/62/18/23/883621823.db2.gz PAOVJIOCDFCSBE-HXUWFJFHSA-N 0 0 399.560 3.760 20 10 GHCDRN COc1ccc(N2CCN(Cc3coc(-c4ccccc4F)n3)CC2)cc1F ZINC000859161883 883630737 /nfs/dbraw/zinc/63/07/37/883630737.db2.gz SPJWOCIWJKUUOU-UHFFFAOYSA-N 0 0 385.414 3.951 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)N[C@H]1COc2ccc(Cl)cc21 ZINC000805206266 883692783 /nfs/dbraw/zinc/69/27/83/883692783.db2.gz KLSGHKKQEZHQPM-ZDUSSCGKSA-N 0 0 397.656 3.741 20 10 GHCDRN CC(C)c1csc(CNC(=O)NCc2cc(Br)ccc2O)n1 ZINC000805214120 883695986 /nfs/dbraw/zinc/69/59/86/883695986.db2.gz PFEMNGOQWMUDIJ-UHFFFAOYSA-N 0 0 384.299 3.734 20 10 GHCDRN CCc1cnccc1[C@@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000805254917 883719218 /nfs/dbraw/zinc/71/92/18/883719218.db2.gz GEQSCOLISMRBGD-LLVKDONJSA-N 0 0 378.270 3.673 20 10 GHCDRN COC1CCC(CCNC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000805278615 883734282 /nfs/dbraw/zinc/73/42/82/883734282.db2.gz GNGKWQWBJXRBLM-UHFFFAOYSA-N 0 0 385.302 3.549 20 10 GHCDRN CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000805287650 883742362 /nfs/dbraw/zinc/74/23/62/883742362.db2.gz YVBRMLNEUFOXNI-SFHVURJKSA-N 0 0 398.507 3.572 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000805429185 883811416 /nfs/dbraw/zinc/81/14/16/883811416.db2.gz UQNMHMNMSLAHQX-SAZUREKKSA-N 0 0 375.266 3.900 20 10 GHCDRN C[C@@H]1C[C@@H](CCNC(=O)NCc2cc(Br)ccc2O)C[C@H](C)O1 ZINC000805465347 883842104 /nfs/dbraw/zinc/84/21/04/883842104.db2.gz IUGWMWTYBOPNJY-CLLJXQQHSA-N 0 0 385.302 3.548 20 10 GHCDRN CCCCOC(=O)C(C)(C)NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC001130251605 883896992 /nfs/dbraw/zinc/89/69/92/883896992.db2.gz 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GHCDRN O=C(NC[C@@H]1CCCSC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000806878196 885078713 /nfs/dbraw/zinc/07/87/13/885078713.db2.gz NIVJKQDPMLFVCV-GJZGRUSLSA-N 0 0 399.507 3.699 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@@]2(C)CCO[C@H]2C2CC2)cc1 ZINC000860884783 885081562 /nfs/dbraw/zinc/08/15/62/885081562.db2.gz VIXCDNVCEWDGGZ-BJKOFHAPSA-N 0 0 394.515 3.771 20 10 GHCDRN CCc1ncsc1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000747373818 885230730 /nfs/dbraw/zinc/23/07/30/885230730.db2.gz BPCOFIJIJIZERW-BETUJISGSA-N 0 0 392.500 3.780 20 10 GHCDRN O=C(CSc1nc2ccccc2o1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000117975257 885233111 /nfs/dbraw/zinc/23/31/11/885233111.db2.gz YTYFVKTUWXGDMP-MRXNPFEDSA-N 0 0 398.484 3.833 20 10 GHCDRN O=C(CCc1cccc(F)c1F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000117975832 885234141 /nfs/dbraw/zinc/23/41/41/885234141.db2.gz STOIFGLIBPEXEE-QGZVFWFLSA-N 0 0 375.415 3.811 20 10 GHCDRN Cn1cc(C(C)(C)NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1 ZINC000807279195 885337772 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/nfs/dbraw/zinc/59/86/60/887598660.db2.gz SHEQULWJMPHLHF-UHFFFAOYSA-N 0 0 384.499 3.986 20 10 GHCDRN Cc1cc(CCNC(=O)c2cn(-c3ccc(C)cc3)nn2)c(C)n1-c1ccccc1 ZINC001131781707 887601353 /nfs/dbraw/zinc/60/13/53/887601353.db2.gz KSSZXTYSVDDITQ-UHFFFAOYSA-N 0 0 399.498 3.956 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)cc1 ZINC000763079391 887630989 /nfs/dbraw/zinc/63/09/89/887630989.db2.gz OTWBXQYRWHMFOS-GOSISDBHSA-N 0 0 384.499 3.702 20 10 GHCDRN COC(=O)[C@@H](C)Oc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000809776055 887766526 /nfs/dbraw/zinc/76/65/26/887766526.db2.gz RLPUFYNMGQQURF-LLVKDONJSA-N 0 0 384.259 3.929 20 10 GHCDRN C[C@@H]1CN(Cc2cc(Br)ccc2O)c2ccccc2N(C)C1=O ZINC000809785758 887836796 /nfs/dbraw/zinc/83/67/96/887836796.db2.gz AVQDOCUAMJJBJS-GFCCVEGCSA-N 0 0 375.266 3.774 20 10 GHCDRN Cc1nc([C@H]2CCOC2)sc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000864786766 888001019 /nfs/dbraw/zinc/00/10/19/888001019.db2.gz YYQAKCUCNJBKSF-INIZCTEOSA-N 0 0 385.533 3.826 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1(F)CCCCC1 ZINC000810159878 888249241 /nfs/dbraw/zinc/24/92/41/888249241.db2.gz MHGTXIWZTKFJMH-UHFFFAOYSA-N 0 0 388.405 3.831 20 10 GHCDRN O=C1COc2c(NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cccc2N1 ZINC000810161134 888251505 /nfs/dbraw/zinc/25/15/05/888251505.db2.gz DQBUHLKLCLTIOA-UHFFFAOYSA-N 0 0 382.420 3.528 20 10 GHCDRN C[C@H]([NH2+]CCC1=CCN(C(=O)OC(C)(C)C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000794834674 888302461 /nfs/dbraw/zinc/30/24/61/888302461.db2.gz HZMXDTIJWNJQPC-AWEZNQCLSA-N 0 0 391.468 3.908 20 10 GHCDRN COc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc(Cl)c1O ZINC000763257310 888399835 /nfs/dbraw/zinc/39/98/35/888399835.db2.gz FKGLETFINISBHV-HNNXBMFYSA-N 0 0 391.851 3.581 20 10 GHCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)NC1(CCO)CCCC1 ZINC000810422301 888487572 /nfs/dbraw/zinc/48/75/72/888487572.db2.gz JPSGBBDVEOHUID-UHFFFAOYSA-N 0 0 380.448 3.852 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)COC/C=C\c3ccccc3)CC2)cc1 ZINC000763324891 888512152 /nfs/dbraw/zinc/51/21/52/888512152.db2.gz MLBMXSKUYLRCQP-YVMONPNESA-N 0 0 380.488 3.510 20 10 GHCDRN CCn1cc(N2C(=O)/C(=C\c3ccnn3-c3ccccc3C)SC2=S)cn1 ZINC000794858890 888525315 /nfs/dbraw/zinc/52/53/15/888525315.db2.gz CFAFFHWGOSXRMX-LICLKQGHSA-N 0 0 395.513 3.803 20 10 GHCDRN O=C(NCCC1CCC1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000153794060 888587063 /nfs/dbraw/zinc/58/70/63/888587063.db2.gz PPZFTQGBPXCEMC-UHFFFAOYSA-N 0 0 385.430 3.531 20 10 GHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC2(CSC2)C1 ZINC000866137827 888748936 /nfs/dbraw/zinc/74/89/36/888748936.db2.gz CTYNWZSPVFCMLQ-CQSZACIVSA-N 0 0 382.476 3.516 20 10 GHCDRN COc1ccc(N2CC[NH+](CCCNC(=O)C[C@H](C)c3ccccc3)CC2)cc1 ZINC000032763951 888826149 /nfs/dbraw/zinc/82/61/49/888826149.db2.gz LHAIVARAXVBJCI-FQEVSTJZSA-N 0 0 395.547 3.517 20 10 GHCDRN C[C@@H](CCc1ccc(O)cc1)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000916235111 888843069 /nfs/dbraw/zinc/84/30/69/888843069.db2.gz AEWHXOUCVFZOBF-LAUBAEHRSA-N 0 0 398.503 3.810 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)C2(c3ccc(F)cc3F)CCOCC2)c1 ZINC000153941719 888917606 /nfs/dbraw/zinc/91/76/06/888917606.db2.gz QOWCULCCDNGHRE-ZDUSSCGKSA-N 0 0 391.414 3.605 20 10 GHCDRN C[C@H](C(=O)N(Cc1ccco1)Cc1ccccc1O)n1ccc(C(F)(F)F)n1 ZINC000866595650 888956924 /nfs/dbraw/zinc/95/69/24/888956924.db2.gz JDBXFBGBGJZIEC-CYBMUJFWSA-N 0 0 393.365 3.991 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H]1Cc2ccccc2O1 ZINC000916516312 889071040 /nfs/dbraw/zinc/07/10/40/889071040.db2.gz SDNUNXLDHNFLFK-OAQYLSRUSA-N 0 0 379.504 3.822 20 10 GHCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H](c2ccsc2)O1 ZINC000121819506 889161525 /nfs/dbraw/zinc/16/15/25/889161525.db2.gz FOUPLXLFJNRTLN-OXQOHEQNSA-N 0 0 383.517 3.796 20 10 GHCDRN O=C(c1nc(Cl)ccc1Cl)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000154068996 889161774 /nfs/dbraw/zinc/16/17/74/889161774.db2.gz BTIVGAGFTADMSN-ZDUSSCGKSA-N 0 0 381.259 3.915 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000916605044 889175287 /nfs/dbraw/zinc/17/52/87/889175287.db2.gz MVAOCUNHBFWAFL-IBGZPJMESA-N 0 0 394.563 3.731 20 10 GHCDRN C[C@H]1C[C@H](C)CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 ZINC000916631886 889204499 /nfs/dbraw/zinc/20/44/99/889204499.db2.gz LTOAZANWXWROAR-GJZGRUSLSA-N 0 0 399.457 3.730 20 10 GHCDRN COC(=O)/C=C\c1ccc(N2CC[C@H](c3ccc(OC)cc3)C2)c([N+](=O)[O-])c1 ZINC000207022709 889213079 /nfs/dbraw/zinc/21/30/79/889213079.db2.gz QXJLXKDZWQRNDL-JDZBVEAQSA-N 0 0 382.416 3.784 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)OCc3nc([C@@H](C)OC)no3)c2C)cc1 ZINC000747678071 889227810 /nfs/dbraw/zinc/22/78/10/889227810.db2.gz YAEIKEKRHNONDY-CQSZACIVSA-N 0 0 385.420 3.550 20 10 GHCDRN COc1ccc(N2CCN(Cc3coc(-c4cccc(F)c4)n3)CC2)cc1F ZINC000122026655 889312649 /nfs/dbraw/zinc/31/26/49/889312649.db2.gz GJAGNGBKMRSZQT-UHFFFAOYSA-N 0 0 385.414 3.951 20 10 GHCDRN Cc1cc(N)cc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000868194238 889347590 /nfs/dbraw/zinc/34/75/90/889347590.db2.gz NYACBFFPLCUJPQ-GASCZTMLSA-N 0 0 386.471 3.652 20 10 GHCDRN C[C@H](NC(=O)NCc1cccc(COC2CCOCC2)c1)c1ccccc1O ZINC000868239898 889365897 /nfs/dbraw/zinc/36/58/97/889365897.db2.gz FVLQGWHCQYAEFN-INIZCTEOSA-N 0 0 384.476 3.648 20 10 GHCDRN CNC(=O)Oc1cccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)c1 ZINC000795009751 889401320 /nfs/dbraw/zinc/40/13/20/889401320.db2.gz DVPXXBPPFVZKPM-UHFFFAOYSA-N 0 0 395.459 3.875 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)c1ccc2c(c1)CCCCC2=O ZINC000811459621 889619451 /nfs/dbraw/zinc/61/94/51/889619451.db2.gz JMONQIJXFFEOEF-UHFFFAOYSA-N 0 0 388.261 3.994 20 10 GHCDRN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000122324606 889643448 /nfs/dbraw/zinc/64/34/48/889643448.db2.gz BCCVEIYTNAOAGP-NSHDSACASA-N 0 0 396.256 3.537 20 10 GHCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+][C@@H](CO)C1CCCC1 ZINC000811518739 889672735 /nfs/dbraw/zinc/67/27/35/889672735.db2.gz PNMIZIIJDXSZFE-ZDUSSCGKSA-N 0 0 393.119 3.558 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3ccc(C4CCOCC4)cc3)C2)cc1 ZINC000868955889 889684899 /nfs/dbraw/zinc/68/48/99/889684899.db2.gz GRZCOHKVHIEZCR-SFHVURJKSA-N 0 0 394.515 3.846 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2COc3ccccc3[C@@H]2O)c(C)n1-c1cccc(C)c1 ZINC000811578012 889757634 /nfs/dbraw/zinc/75/76/34/889757634.db2.gz GDLICQYHVHMZJN-UNMCSNQZSA-N 0 0 376.456 3.627 20 10 GHCDRN CC(C)Oc1cc(Br)cc(C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000122424919 889763669 /nfs/dbraw/zinc/76/36/69/889763669.db2.gz VJBIABGRIPWPAX-UHFFFAOYSA-N 0 0 394.265 3.620 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H]1CCOc2ccccc2O1 ZINC001184723973 913393445 /nfs/dbraw/zinc/39/34/45/913393445.db2.gz GUYCAJDZIKITLJ-NQIIRXRSSA-N 0 0 381.472 3.979 20 10 GHCDRN CCC(=O)c1ccc(N2CCCN(c3ccc(OC)cc3)CC2)c([N+](=O)[O-])c1 ZINC000795073541 889903959 /nfs/dbraw/zinc/90/39/59/889903959.db2.gz NBUUPNDDANLVEE-UHFFFAOYSA-N 0 0 383.448 3.913 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)C2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000811730074 889927954 /nfs/dbraw/zinc/92/79/54/889927954.db2.gz HLGOLHLCQGVNEW-FCHUYYIVSA-N 0 0 397.563 3.626 20 10 GHCDRN COc1ccc(O)c(CNc2nc3ccccc3nc2N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000811805817 889991087 /nfs/dbraw/zinc/99/10/87/889991087.db2.gz AXGKVVZTFCPAAP-GJZGRUSLSA-N 0 0 394.475 3.570 20 10 GHCDRN Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)ccc1NC(=O)c1cccs1 ZINC000122935673 890207681 /nfs/dbraw/zinc/20/76/81/890207681.db2.gz WDMRWVFMJKQWQK-UHFFFAOYSA-N 0 0 396.468 3.693 20 10 GHCDRN CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1ccon1 ZINC000812042707 890253528 /nfs/dbraw/zinc/25/35/28/890253528.db2.gz KHHZMNHCCDFWQC-UHFFFAOYSA-N 0 0 376.464 3.997 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc(-c2cccn2C)n1Cc1cccs1 ZINC000812360635 890566287 /nfs/dbraw/zinc/56/62/87/890566287.db2.gz SFPRXJKDCUKZAH-UHFFFAOYSA-N 0 0 379.489 3.735 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000805453720 890576451 /nfs/dbraw/zinc/57/64/51/890576451.db2.gz ZSDPFZTWUBIIHW-HNNXBMFYSA-N 0 0 395.684 3.775 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCCO1 ZINC000812432935 890625182 /nfs/dbraw/zinc/62/51/82/890625182.db2.gz GZDMAUCQOBJGSO-SFHVURJKSA-N 0 0 398.532 3.842 20 10 GHCDRN CCc1nc2ccc(Cl)cn2c1C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000812445954 890671275 /nfs/dbraw/zinc/67/12/75/890671275.db2.gz HQZVGYHTGYQRAD-UHFFFAOYSA-N 0 0 398.894 3.521 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCN3CC(F)(F)F)cc2)CC1 ZINC000812503844 890687096 /nfs/dbraw/zinc/68/70/96/890687096.db2.gz CLPWRLPXEPSOBZ-SFHVURJKSA-N 0 0 383.458 3.566 20 10 GHCDRN O=C(c1ccccc1)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871201473 890692918 /nfs/dbraw/zinc/69/29/18/890692918.db2.gz WBRDQOTWMHLFGZ-UIFIKXQLSA-N 0 0 390.483 3.708 20 10 GHCDRN Cc1cc(C(=O)OCc2cc(=O)n3ccsc3n2)c(C)n1-c1ccccc1C ZINC000004270257 913484562 /nfs/dbraw/zinc/48/45/62/913484562.db2.gz BUOZBWAKRQOTHP-UHFFFAOYSA-N 0 0 393.468 3.829 20 10 GHCDRN COCc1c(Br)cccc1NC(=O)N(C)Cc1ccccc1O ZINC000123614381 890804186 /nfs/dbraw/zinc/80/41/86/890804186.db2.gz CXPJGZKCXDHEDU-UHFFFAOYSA-N 0 0 379.254 3.965 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Nc3cccc(C(F)(F)F)n3)CC2)cc1 ZINC000123695147 890927367 /nfs/dbraw/zinc/92/73/67/890927367.db2.gz NIFSKHAPZMPWDT-UHFFFAOYSA-N 0 0 394.397 3.853 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)Nc3ccnn3[C@H]3CCOC3)c2C)cc1 ZINC000888583666 890932115 /nfs/dbraw/zinc/93/21/15/890932115.db2.gz ZHBQADZZKJETKJ-KRWDZBQOSA-N 0 0 380.448 3.513 20 10 GHCDRN Cc1cc(CCNC(=O)CSc2nc(C)cc(C)n2)c(C)n1-c1ccccc1 ZINC000871633856 890949893 /nfs/dbraw/zinc/94/98/93/890949893.db2.gz GGYBOOWGJXIBTR-UHFFFAOYSA-N 0 0 394.544 3.952 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)C1Cc2ccccc2C1 ZINC000123814700 891040441 /nfs/dbraw/zinc/04/04/41/891040441.db2.gz JHVRRZMIYMIXDT-UHFFFAOYSA-N 0 0 384.545 3.606 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)NC[C@H]1CCN(c2ccccc2F)C1 ZINC000812924504 891129372 /nfs/dbraw/zinc/12/93/72/891129372.db2.gz JXRXCOZJWRQYTR-MRXNPFEDSA-N 0 0 397.494 3.736 20 10 GHCDRN CCCNC(=O)C1CCN(CC(=O)c2cc(C)n(-c3ccccc3C)c2C)CC1 ZINC000917093405 891141634 /nfs/dbraw/zinc/14/16/34/891141634.db2.gz MGRVFJDSXPEQRY-UHFFFAOYSA-N 0 0 395.547 3.823 20 10 GHCDRN COC(=O)CCCN1C(=O)/C(=C/c2ccc3c(c2)CC(C)(C)O3)SC1=S ZINC000729688047 891143951 /nfs/dbraw/zinc/14/39/51/891143951.db2.gz AVCAUFKCLBUACI-GDNBJRDFSA-N 0 0 391.514 3.555 20 10 GHCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CCc2nc(-c3ccccn3)cs2)c1[O-] ZINC000123968091 891197186 /nfs/dbraw/zinc/19/71/86/891197186.db2.gz ASUOMHWKFSSCEE-UHFFFAOYSA-N 0 0 390.852 3.805 20 10 GHCDRN C[C@H](NC(=O)Nc1cc2c(cn1)CCCC2)c1ccc(N2CCOCC2)cc1 ZINC000813014000 891240322 /nfs/dbraw/zinc/24/03/22/891240322.db2.gz MDOYDECREWYPCG-INIZCTEOSA-N 0 0 380.492 3.680 20 10 GHCDRN O=C(NCCc1ccccc1Cl)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000065504039 891278875 /nfs/dbraw/zinc/27/88/75/891278875.db2.gz BHNVBQOSOBRQIO-SFHVURJKSA-N 0 0 388.895 3.979 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cc(Br)ccc1O ZINC000917117898 891286492 /nfs/dbraw/zinc/28/64/92/891286492.db2.gz YQQCWFDENRGRFH-UHFFFAOYSA-N 0 0 375.266 3.685 20 10 GHCDRN Cc1cc(C(=O)Nc2ccc(CNC(N)=O)cc2)c(C)n1-c1ccccc1C ZINC000124191226 891298742 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CCN(CC)c1ccc(CNC(=O)NC[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000813591694 891773913 /nfs/dbraw/zinc/77/39/13/891773913.db2.gz SCOQDQCMYSYTGF-LJQANCHMSA-N 0 0 375.900 3.719 20 10 GHCDRN CC1(C)CCC(CC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 ZINC001133847452 891821177 /nfs/dbraw/zinc/82/11/77/891821177.db2.gz OIWBZQFOATYAGD-UHFFFAOYSA-N 0 0 385.552 3.611 20 10 GHCDRN CCC(=O)c1ccc(OCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000917364064 891853133 /nfs/dbraw/zinc/85/31/33/891853133.db2.gz BTSVXYUHBKYQOL-FQEVSTJZSA-N 0 0 397.471 3.572 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1cccnc1SC(F)F ZINC000917386189 891908645 /nfs/dbraw/zinc/90/86/45/891908645.db2.gz RXALJQWDWZBEQU-UHFFFAOYSA-N 0 0 395.500 3.880 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1c[nH]nc1-c1ccccc1 ZINC000917387242 891910670 /nfs/dbraw/zinc/91/06/70/891910670.db2.gz YDRWFWOQGYZTFW-UHFFFAOYSA-N 0 0 378.501 3.560 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C[C@H]1CSCCS1 ZINC000124789579 891944178 /nfs/dbraw/zinc/94/41/78/891944178.db2.gz 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CCOc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3OC)CC2)cc1 ZINC001137658842 935681527 /nfs/dbraw/zinc/68/15/27/935681527.db2.gz YCTJEHKGKZBTOZ-LEWJYISDSA-N 0 0 380.488 3.546 20 10 GHCDRN CCn1cnnc1SCC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C ZINC000828858423 935729857 /nfs/dbraw/zinc/72/98/57/935729857.db2.gz YZCDGGBHWLAGMA-UHFFFAOYSA-N 0 0 375.885 3.729 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2cccnc2Br)C1 ZINC001137799366 935795886 /nfs/dbraw/zinc/79/58/86/935795886.db2.gz UOPFLMKJRDEFNM-UHFFFAOYSA-N 0 0 386.293 3.903 20 10 GHCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)/C=C/c1ccc(C(N)=O)o1 ZINC001137816532 935805867 /nfs/dbraw/zinc/80/58/67/935805867.db2.gz JOJXZLCQZZOBJI-WCRPCQDQSA-N 0 0 390.439 3.887 20 10 GHCDRN Cc1cc(C(=O)CN2CCCC[C@@H]2c2ccnn2C)c(C)n1-c1ccc(F)cn1 ZINC000829449401 935810719 /nfs/dbraw/zinc/81/07/19/935810719.db2.gz XNUFJOSAHRDNNF-HXUWFJFHSA-N 0 0 395.482 3.772 20 10 GHCDRN Cc1cc(CN2CCn3c(nnc3C(F)(F)F)C2)c(C)n1-c1ccccc1 ZINC001137854147 935826689 /nfs/dbraw/zinc/82/66/89/935826689.db2.gz 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O=C([O-])c1cccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000840994418 969220235 /nfs/dbraw/zinc/22/02/35/969220235.db2.gz BEJJYFAVZXEPKK-UHFFFAOYSA-N 0 0 394.393 3.530 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1 ZINC001625794475 1014172939 /nfs/dbraw/zinc/17/29/39/1014172939.db2.gz ITXAIZNAJNWLTM-MRXNPFEDSA-N 0 0 389.540 3.889 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C)c(N2CCOCC2)c1 ZINC001625794478 1014173064 /nfs/dbraw/zinc/17/30/64/1014173064.db2.gz JCIJMGWXZKWIAN-UHFFFAOYSA-N 0 0 381.520 3.560 20 10 GHCDRN Cc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c(O)c1O ZINC000182284188 1014569572 /nfs/dbraw/zinc/56/95/72/1014569572.db2.gz YGPIKGATTYFBEL-CQSZACIVSA-N 0 0 397.406 3.615 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)CCNC(=O)OC(C)(C)C ZINC001625998417 1014666815 /nfs/dbraw/zinc/66/68/15/1014666815.db2.gz KCAGVNZTKJUQGP-UHFFFAOYSA-N 0 0 385.508 3.999 20 10 GHCDRN Cc1cc(C(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)c(C)n1-c1cccc(C(C)C)c1 ZINC001154434620 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COc1ccc(CCN(CC(C)C)C(=O)/C=C\c2ccc(O)c(O)c2)cc1OC ZINC000779519153 1020838573 /nfs/dbraw/zinc/83/85/73/1020838573.db2.gz ODWVMNLJRBHQNY-YFHOEESVSA-N 0 0 399.487 3.856 20 10 GHCDRN Cc1cc(C(=O)CSCc2cccc(C(N)=O)n2)c(C)n1-c1ccccc1 ZINC000779831226 1020970159 /nfs/dbraw/zinc/97/01/59/1020970159.db2.gz BSFDLKRDPMWBTB-UHFFFAOYSA-N 0 0 379.485 3.704 20 10 GHCDRN Cc1ccc(F)cc1-c1nnc(NCc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000834478628 1021215639 /nfs/dbraw/zinc/21/56/39/1021215639.db2.gz NYRFYWTZHGATOI-UHFFFAOYSA-N 0 0 386.402 3.772 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H](C)Cc1ccco1 ZINC000834509494 1021235229 /nfs/dbraw/zinc/23/52/29/1021235229.db2.gz BCVJASRRKFERDY-INIZCTEOSA-N 0 0 386.492 3.847 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCc1cncc(C)c1 ZINC000834518409 1021239432 /nfs/dbraw/zinc/23/94/32/1021239432.db2.gz LCRUOBZMBHURHU-UHFFFAOYSA-N 0 0 397.519 3.711 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cncc(CC)c1 ZINC000834518141 1021239770 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CCN(CC)c1ccc(CN(C)c2nnc([C@@H]3CCOC3)n2CC(C)C)cc1 ZINC000802662291 1021519094 /nfs/dbraw/zinc/51/90/94/1021519094.db2.gz MVVMXRDUVHDEQO-LJQANCHMSA-N 0 0 385.556 3.921 20 10 GHCDRN C[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000834834376 1021530419 /nfs/dbraw/zinc/53/04/19/1021530419.db2.gz CHNNPOHUNFZMTM-PNESKVBLSA-N 0 0 379.444 3.665 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3cc(-c4cccc(Cl)c4)no3)CC2)cc1 ZINC000748606191 1021700433 /nfs/dbraw/zinc/70/04/33/1021700433.db2.gz YXFYNXXYXMNQJP-UHFFFAOYSA-N 0 0 397.862 3.966 20 10 GHCDRN Cc1cc(C(=O)CN2CCC(O[C@@H]3CCOC3)CC2)c(C)n1-c1ccccc1C ZINC000748834695 1021723426 /nfs/dbraw/zinc/72/34/26/1021723426.db2.gz ZGUBQNLHPNCLLS-OAQYLSRUSA-N 0 0 396.531 3.855 20 10 GHCDRN CS(=O)(=O)c1ccc(C2CCN(Cc3ccc(Cl)cc3O)CC2)cc1 ZINC001140468655 1021766158 /nfs/dbraw/zinc/76/61/58/1021766158.db2.gz SSJITOWPVMQKSN-UHFFFAOYSA-N 0 0 379.909 3.829 20 10 GHCDRN CN(C)c1ccc(/C=C/CN2CCn3c(CCc4ccccc4)nnc3C2)cc1 ZINC000835026855 1021783289 /nfs/dbraw/zinc/78/32/89/1021783289.db2.gz XYVGXOZVWWNGQR-RMKNXTFCSA-N 0 0 387.531 3.658 20 10 GHCDRN CN(C)c1ccc(/C=C\CNc2cccc(C(=O)N3CCC[C@@H](CO)C3)c2)cc1 ZINC000835032215 1021789060 /nfs/dbraw/zinc/78/90/60/1021789060.db2.gz UAJPZOGZCMAHBU-RDBXKPKDSA-N 0 0 393.531 3.722 20 10 GHCDRN CC(=O)N1CCN(c2cccc(NC/C=C\c3ccc(N(C)C)cc3)c2)CC1 ZINC000835044857 1021803448 /nfs/dbraw/zinc/80/34/48/1021803448.db2.gz HFUKIQMJOUEZDQ-WAYWQWQTSA-N 0 0 378.520 3.546 20 10 GHCDRN CC[C@@H]1NC(=O)N(c2cccc(NC/C=C\c3ccc(N(C)C)cc3)c2)C1=O ZINC000835051738 1021817815 /nfs/dbraw/zinc/81/78/15/1021817815.db2.gz HPAVGPJMJGPNGE-HCZHMGAMSA-N 0 0 378.476 3.713 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1C(C)(F)F ZINC000835256984 1021988620 /nfs/dbraw/zinc/98/86/20/1021988620.db2.gz ZCHBAZDYBUWYJE-UHFFFAOYSA-N 0 0 376.403 3.881 20 10 GHCDRN Cc1ccc2c(n1)N(Cc1ccncc1)CCN(Cc1c([O-])cc(F)cc1F)C2 ZINC001140581323 1022002330 /nfs/dbraw/zinc/00/23/30/1022002330.db2.gz UXUQQTZXYCLUMD-UHFFFAOYSA-N 0 0 396.441 3.791 20 10 GHCDRN O=C(c1cccs1)N1CCC2(C1)CC[NH+](Cc1c([O-])cc(F)cc1F)CC2 ZINC001140581206 1022002713 /nfs/dbraw/zinc/00/27/13/1022002713.db2.gz RRQIKPSCJDKEPP-UHFFFAOYSA-N 0 0 392.471 3.860 20 10 GHCDRN CCOc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1OCC ZINC000679876433 1022057834 /nfs/dbraw/zinc/05/78/34/1022057834.db2.gz IUYKIPYOCHHGDR-UHFFFAOYSA-N 0 0 385.464 3.981 20 10 GHCDRN COc1ccc(N(CC(=O)NCc2ccc(OC(F)F)cc2)C(C)C)cc1F ZINC000725816439 1022383718 /nfs/dbraw/zinc/38/37/18/1022383718.db2.gz VHOUUIWZWPBYBA-UHFFFAOYSA-N 0 0 396.409 3.967 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@H](CCc2ccccc2)C1 ZINC000754160997 1022513528 /nfs/dbraw/zinc/51/35/28/1022513528.db2.gz UUADZJBSSKVMSR-HSZRJFAPSA-N 0 0 393.531 3.830 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)c2C)cc1 ZINC000754189839 1022528587 /nfs/dbraw/zinc/52/85/87/1022528587.db2.gz UJUOEFKXJAZOLG-CEWLAPEOSA-N 0 0 380.488 3.790 20 10 GHCDRN CCN(CC)c1ccc(CN2CCOC[C@H]2CCC(=O)OC(C)(C)C)c(O)c1 ZINC001140855728 1022711361 /nfs/dbraw/zinc/71/13/61/1022711361.db2.gz AZHUIENWSZSSEJ-LJQANCHMSA-N 0 0 392.540 3.561 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1Cc2cnn(-c3ccccc3)c2C1 ZINC000836244445 1022764549 /nfs/dbraw/zinc/76/45/49/1022764549.db2.gz RQMMWBJFOVXRLP-UHFFFAOYSA-N 0 0 387.487 3.698 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000836248631 1022768730 /nfs/dbraw/zinc/76/87/30/1022768730.db2.gz HZNJVHUTRPCMAD-WMZOPIPTSA-N 0 0 399.457 3.834 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CCC3(CC2)OCCc2ccccc23)cc1 ZINC000836248685 1022769243 /nfs/dbraw/zinc/76/92/43/1022769243.db2.gz HVWMFYSFKMNPQV-UHFFFAOYSA-N 0 0 379.504 3.526 20 10 GHCDRN CN(C)c1ccc(CN2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)c(Cl)c1 ZINC001140922037 1022888732 /nfs/dbraw/zinc/88/87/32/1022888732.db2.gz FPGHXLOYJXUUBR-UHFFFAOYSA-N 0 0 379.932 3.849 20 10 GHCDRN CN(C)c1ccc(CN2CC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c(Cl)c1 ZINC001140926504 1022903189 /nfs/dbraw/zinc/90/31/89/1022903189.db2.gz MQFHUDAVAONMRH-MRXNPFEDSA-N 0 0 387.886 3.775 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)Nc2cccc(N(C)C(N)=O)c2)c1 ZINC001156542392 1033093688 /nfs/dbraw/zinc/09/36/88/1033093688.db2.gz WZVUOFNTCCFEJB-UHFFFAOYSA-N 0 0 390.443 3.674 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NC[C@@H]3CCCCC3(F)F)CC2)cc1 ZINC000836527919 1023082530 /nfs/dbraw/zinc/08/25/30/1023082530.db2.gz VKZODOXWLVYVOT-HNNXBMFYSA-N 0 0 381.467 3.789 20 10 GHCDRN C[C@H](NC(=O)N1CC[C@H](c2ccc(F)cc2)C1)c1ccc(N2CCOCC2)cc1 ZINC000755128750 1023085035 /nfs/dbraw/zinc/08/50/35/1023085035.db2.gz BWMCNVCNIFZGDS-PXNSSMCTSA-N 0 0 397.494 3.922 20 10 GHCDRN Cc1nc(CNC(=O)NCc2ccc(N(C)C)cc2C)sc1Br ZINC000836549406 1023101112 /nfs/dbraw/zinc/10/11/12/1023101112.db2.gz WZGXJUWUARVRJI-UHFFFAOYSA-N 0 0 397.342 3.588 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)Cc3ccc(F)c(F)c3)cc2F)C[C@@H](C)O1 ZINC000755200349 1023122592 /nfs/dbraw/zinc/12/25/92/1023122592.db2.gz KLAVYWHMJZXRPI-ZIAGYGMSSA-N 0 0 392.421 3.576 20 10 GHCDRN CCSc1ccccc1OCC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000755277984 1023166677 /nfs/dbraw/zinc/16/66/77/1023166677.db2.gz RTMHZRAMSBHKQZ-UHFFFAOYSA-N 0 0 386.517 3.535 20 10 GHCDRN O[C@H](COc1ccc(Br)cc1)COc1ccc(N2CCCC2)cc1 ZINC000755352906 1023210873 /nfs/dbraw/zinc/21/08/73/1023210873.db2.gz VDWSBQAVJHYAAV-QGZVFWFLSA-N 0 0 392.293 3.868 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)Nc2ccc(OC(F)F)cn2)C2CC2)cc1 ZINC000836656486 1023215665 /nfs/dbraw/zinc/21/56/65/1023215665.db2.gz SQCWVKHXPJDOOE-UHFFFAOYSA-N 0 0 376.407 3.946 20 10 GHCDRN Cc1cc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cn2ccnc12 ZINC000836691281 1023259055 /nfs/dbraw/zinc/25/90/55/1023259055.db2.gz QFWNDWFLSACTQZ-GOSISDBHSA-N 0 0 380.448 3.561 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccnn2-c2ccccn2)cc1F ZINC000836698198 1023269573 /nfs/dbraw/zinc/26/95/73/1023269573.db2.gz ZOAXHVRCYNKFNS-UHFFFAOYSA-N 0 0 382.443 3.574 20 10 GHCDRN C[C@@H](NC(=O)Nc1ccc2c(c1)CCCC2=O)c1ccc(N2CCOCC2)cc1 ZINC000836711475 1023288211 /nfs/dbraw/zinc/28/82/11/1023288211.db2.gz TZZOBJRCGOTUQA-MRXNPFEDSA-N 0 0 393.487 3.925 20 10 GHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1C[C@H]1c1cccnc1 ZINC000836724311 1023305369 /nfs/dbraw/zinc/30/53/69/1023305369.db2.gz RDKMRWQNKWHCPF-AYOQOUSVSA-N 0 0 387.430 3.572 20 10 GHCDRN Cc1cc(Br)nc(NC(=O)NCCCSc2nccs2)c1 ZINC000836764758 1023351042 /nfs/dbraw/zinc/35/10/42/1023351042.db2.gz UQVWHWIYSFRCOP-UHFFFAOYSA-N 0 0 387.328 3.913 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2CCO[C@@H](c3ccncc3)C2)c(C)n1-c1ccccn1 ZINC000836880394 1023431841 /nfs/dbraw/zinc/43/18/41/1023431841.db2.gz DQYWQQQXSJLOJC-UYAOXDASSA-N 0 0 376.460 3.534 20 10 GHCDRN Cc1cc(C(=O)N[C@@]2(C)CCOC2)c(C)n1-c1ccccc1Br ZINC000756203269 1023554631 /nfs/dbraw/zinc/55/46/31/1023554631.db2.gz IYDRKWRVOXQUSK-SFHVURJKSA-N 0 0 377.282 3.765 20 10 GHCDRN C[C@@H]([NH2+]C[C@H](C)N1CCN(c2ccccc2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756412626 1023634766 /nfs/dbraw/zinc/63/47/66/1023634766.db2.gz VEMZJVMFUUKNQQ-JKSUJKDBSA-N 0 0 375.463 3.532 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CN(C)C(=O)OCc1ccccc1 ZINC000756449523 1023656964 /nfs/dbraw/zinc/65/69/64/1023656964.db2.gz WQFZUUIEWLWBOR-UHFFFAOYSA-N 0 0 397.519 3.758 20 10 GHCDRN Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])c1 ZINC000756461529 1023664919 /nfs/dbraw/zinc/66/49/19/1023664919.db2.gz UCPMBQSLUFZGCT-GFCCVEGCSA-N 0 0 395.272 3.683 20 10 GHCDRN C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1cc(Br)c(F)cc1[O-] ZINC000756481701 1023678388 /nfs/dbraw/zinc/67/83/88/1023678388.db2.gz FVLQCQXAMWBPQS-NEPJUHHUSA-N 0 0 395.272 3.649 20 10 GHCDRN C[C@H]([NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756509493 1023691485 /nfs/dbraw/zinc/69/14/85/1023691485.db2.gz CRGSEGQQXZWLKD-AWEZNQCLSA-N 0 0 392.415 3.799 20 10 GHCDRN COC(=O)N1CCC[C@H]([NH2+][C@H](C)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000756525293 1023697186 /nfs/dbraw/zinc/69/71/86/1023697186.db2.gz AYDVVFOVYGUVJJ-KOLCDFICSA-N 0 0 391.693 3.690 20 10 GHCDRN C[C@@H]([NH2+]CCN(C)CC(F)(F)F)c1cc(Br)cc(Cl)c1[O-] ZINC000756568474 1023715606 /nfs/dbraw/zinc/71/56/06/1023715606.db2.gz GBOMAKAAKLUMBK-MRVPVSSYSA-N 0 0 389.643 3.953 20 10 GHCDRN CSc1nnc(CCC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])n1CC(C)C ZINC000756576978 1023718846 /nfs/dbraw/zinc/71/88/46/1023718846.db2.gz WYGONNGXDBIWIC-GFCCVEGCSA-N 0 0 384.496 3.923 20 10 GHCDRN C[C@@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756614659 1023738604 /nfs/dbraw/zinc/73/86/04/1023738604.db2.gz UHVVGAMWZOITGB-OAHLLOKOSA-N 0 0 384.480 3.686 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000756636934 1023747743 /nfs/dbraw/zinc/74/77/43/1023747743.db2.gz XVHVNMVQNOYYHE-WWMYMODYSA-N 0 0 382.504 3.740 20 10 GHCDRN CCOc1ccc([C@@H]2CCCN2C(=O)CN(C)c2ccc3c(c2)OCO3)cc1 ZINC000756644304 1023751246 /nfs/dbraw/zinc/75/12/46/1023751246.db2.gz JLZDLAMOYYPRBI-IBGZPJMESA-N 0 0 382.460 3.614 20 10 GHCDRN C[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1cc(Br)cc(F)c1[O-] ZINC000756658467 1023758228 /nfs/dbraw/zinc/75/82/28/1023758228.db2.gz JTAZCQZXBMFVEH-QMMMGPOBSA-N 0 0 396.182 3.903 20 10 GHCDRN C[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1cc(Br)cc(Cl)c1[O-] ZINC000756662230 1023761037 /nfs/dbraw/zinc/76/10/37/1023761037.db2.gz ZAESFPLTCDOMJG-QWRGUYRKSA-N 0 0 388.689 3.903 20 10 GHCDRN COc1ccc(Br)cc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756686095 1023773826 /nfs/dbraw/zinc/77/38/26/1023773826.db2.gz IBXXNLFLLJMYIU-JTQLQIEISA-N 0 0 381.226 3.922 20 10 GHCDRN COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)C2 ZINC000756775785 1023811491 /nfs/dbraw/zinc/81/14/91/1023811491.db2.gz SYAZHENFVBOSNA-FZMZJTMJSA-N 0 0 378.266 3.818 20 10 GHCDRN CCOCCCNC(=O)c1cccc(N[C@@H](C)c2cc(F)cc(F)c2O)c1 ZINC000756882944 1023845889 /nfs/dbraw/zinc/84/58/89/1023845889.db2.gz QOMQBLNEDPOCOS-ZDUSSCGKSA-N 0 0 378.419 4.000 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000756967259 1023890412 /nfs/dbraw/zinc/89/04/12/1023890412.db2.gz LOGWRTRKZUWPMN-JTQLQIEISA-N 0 0 379.800 3.523 20 10 GHCDRN Cc1csc([C@@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C2CC2)n1 ZINC000830521062 1023965883 /nfs/dbraw/zinc/96/58/83/1023965883.db2.gz GYWYNTOLADJWLR-KRWDZBQOSA-N 0 0 384.530 3.962 20 10 GHCDRN CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CC[N@H+](Cc3cccc(F)c3[O-])C2)C1 ZINC001138123617 1024167547 /nfs/dbraw/zinc/16/75/47/1024167547.db2.gz CHXLSQFCQMJIOA-UZLBHIALSA-N 0 0 382.451 3.702 20 10 GHCDRN CNC(=O)C[C@H]1CC2(CC[NH+](Cc3cccc(F)c3[O-])CC2)Oc2ccccc21 ZINC001138126658 1024170908 /nfs/dbraw/zinc/17/09/08/1024170908.db2.gz GZCUZMWPPVEFTI-KRWDZBQOSA-N 0 0 398.478 3.568 20 10 GHCDRN CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3cccc(F)c3[O-])CC2)Oc2ccccc21 ZINC001138126659 1024171584 /nfs/dbraw/zinc/17/15/84/1024171584.db2.gz GZCUZMWPPVEFTI-QGZVFWFLSA-N 0 0 398.478 3.568 20 10 GHCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccc3F)C2)C1 ZINC001138127336 1024173313 /nfs/dbraw/zinc/17/33/13/1024173313.db2.gz XGAZNAPYONOYQE-IBGZPJMESA-N 0 0 395.400 3.803 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCO[C@H](c3nccn3C)C2)c(C)n1-c1cccc(C)c1 ZINC000837175727 1024188101 /nfs/dbraw/zinc/18/81/01/1024188101.db2.gz CUENWPDNLWUMCB-RXVVDRJESA-N 0 0 392.503 3.786 20 10 GHCDRN O=C(c1cnn2cccc(Cl)c12)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000830900429 1024230295 /nfs/dbraw/zinc/23/02/95/1024230295.db2.gz XXZKZDXLAMSZJI-HNNXBMFYSA-N 0 0 385.851 3.515 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCc1ccc(Br)cc1 ZINC001138152183 1024247640 /nfs/dbraw/zinc/24/76/40/1024247640.db2.gz BUXMEWPKLMSLDD-ZDUSSCGKSA-N 0 0 392.293 3.930 20 10 GHCDRN CCN(CC)c1ccc(CN(C)c2nnc([C@H]3CCOC3)n2CC2CC2)cc1 ZINC000830965822 1024277661 /nfs/dbraw/zinc/27/76/61/1024277661.db2.gz XNHKRPRBRKCJLF-IBGZPJMESA-N 0 0 383.540 3.675 20 10 GHCDRN Oc1cc2c(cc1O)CN(Cc1cc3c(cc1Br)OCO3)CCC2 ZINC001138186344 1024327980 /nfs/dbraw/zinc/32/79/80/1024327980.db2.gz WJQHOLSYEXDBOW-UHFFFAOYSA-N 0 0 392.249 3.537 20 10 GHCDRN CC(C)N(C)C(=O)c1noc2c1CN(Cc1ccc(N3CCCCC3)cc1)CC2 ZINC001138216736 1024384979 /nfs/dbraw/zinc/38/49/79/1024384979.db2.gz JGTLCEPDWNAHAT-UHFFFAOYSA-N 0 0 396.535 3.704 20 10 GHCDRN Cc1ccccc1C(=O)N1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001138220633 1024393941 /nfs/dbraw/zinc/39/39/41/1024393941.db2.gz JRXUTTXKMWNTEH-UHFFFAOYSA-N 0 0 377.532 3.943 20 10 GHCDRN CC(C)(C)OC(=O)CC[C@H]1COCCN1Cc1ccc(N2CCCCC2)cc1 ZINC001138222062 1024399220 /nfs/dbraw/zinc/39/92/20/1024399220.db2.gz FDMFWHJWCUCVTP-NRFANRHFSA-N 0 0 388.552 4.000 20 10 GHCDRN Cc1c(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](F)C2)c2ccccc2n1C ZINC001138252548 1024471841 /nfs/dbraw/zinc/47/18/41/1024471841.db2.gz KZOOQFFGVCIPJB-QZTJIDSGSA-N 0 0 375.488 3.924 20 10 GHCDRN Cc1cc(CC(=O)N2CC[C@@H](C(N)=O)c3ccccc32)c(C)n1-c1ccccc1 ZINC000831346691 1024508584 /nfs/dbraw/zinc/50/85/84/1024508584.db2.gz LVWGFTYFDNNPNW-OAQYLSRUSA-N 0 0 387.483 3.642 20 10 GHCDRN C[C@@H](NC(=O)c1c(Br)nc2n1CCCC2)c1ccc(N(C)C)cc1 ZINC000837544029 1024540262 /nfs/dbraw/zinc/54/02/62/1024540262.db2.gz ZZAXQLZZBMEZIU-GFCCVEGCSA-N 0 0 391.313 3.539 20 10 GHCDRN CCOc1ccc(CN2CCN(C/C=C/c3ccc(N(C)C)cc3)CC2)cc1 ZINC001205032159 1033219869 /nfs/dbraw/zinc/21/98/69/1033219869.db2.gz APNJKATZUFFSQX-AATRIKPKSA-N 0 0 379.548 3.982 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@H](c3ccccc3)[C@](F)(CO)C2)cc1 ZINC000837725211 1024666637 /nfs/dbraw/zinc/66/66/37/1024666637.db2.gz MLAZCDLTCQGVSM-FYYLOGMGSA-N 0 0 399.510 3.542 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](CO)c2ccc(F)cc2)c1 ZINC001141369966 1024747530 /nfs/dbraw/zinc/74/75/30/1024747530.db2.gz UTCCYZPGJIOORC-OAQYLSRUSA-N 0 0 380.419 3.509 20 10 GHCDRN CCN(CC)c1ccc(CN2Cc3ccccc3[C@@H](C(=O)OC)C2)c(OC)c1 ZINC001138392525 1024771097 /nfs/dbraw/zinc/77/10/97/1024771097.db2.gz YTMOPRCVKNBSPE-NRFANRHFSA-N 0 0 382.504 3.814 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1CN1CC[C@@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001141377588 1024774521 /nfs/dbraw/zinc/77/45/21/1024774521.db2.gz UMLPBMWZAPYAIF-LSDHHAIUSA-N 0 0 391.712 3.816 20 10 GHCDRN C[C@H](NC(=O)N1CC(C)(CC(F)(F)F)C1)c1ccc(N2CCOCC2)cc1 ZINC000837881414 1024778070 /nfs/dbraw/zinc/77/80/70/1024778070.db2.gz CROQULIDULIQAI-AWEZNQCLSA-N 0 0 385.430 3.568 20 10 GHCDRN C[C@@H](NC(=O)N1Cc2ccc(Cl)cc2C1)c1ccc(N2CCOCC2)cc1 ZINC000837881186 1024778246 /nfs/dbraw/zinc/77/82/46/1024778246.db2.gz AQGPQPFRJXBNFB-OAHLLOKOSA-N 0 0 385.895 3.963 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C3CCCC3)C(F)(F)F)C2)cc1 ZINC001203110011 1024856995 /nfs/dbraw/zinc/85/69/95/1024856995.db2.gz SMHOZFFWKPYVNK-PBHICJAKSA-N 0 0 385.430 3.694 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C3CCCC3)C(F)(F)F)C2)cc1 ZINC001203110012 1024858834 /nfs/dbraw/zinc/85/88/34/1024858834.db2.gz SMHOZFFWKPYVNK-RHSMWYFYSA-N 0 0 385.430 3.694 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccncc1NC(=O)C(C)(C)C ZINC001138457143 1024882778 /nfs/dbraw/zinc/88/27/78/1024882778.db2.gz NBIHNORJLUAARN-UHFFFAOYSA-N 0 0 396.535 3.535 20 10 GHCDRN FC(F)(F)c1ccccc1OC1CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138498217 1024930470 /nfs/dbraw/zinc/93/04/70/1024930470.db2.gz WGWNPAPNGOIUMQ-UHFFFAOYSA-N 0 0 392.421 3.805 20 10 GHCDRN Cc1cnnn1-c1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000831998885 1025105386 /nfs/dbraw/zinc/10/53/86/1025105386.db2.gz UNYSOOFXCJMUIP-UHFFFAOYSA-N 0 0 390.491 3.838 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@H](CO)c1ccc(Cl)cc1 ZINC000838478965 1025161522 /nfs/dbraw/zinc/16/15/22/1025161522.db2.gz OAGMJTVHYVALOS-LJQANCHMSA-N 0 0 375.900 3.589 20 10 GHCDRN FC1(F)CCCCN(Cc2ccc(N3CCOCC3)c(Br)c2)C1 ZINC001138676415 1025202396 /nfs/dbraw/zinc/20/23/96/1025202396.db2.gz ILIJCCPCMJEVBS-UHFFFAOYSA-N 0 0 389.284 3.907 20 10 GHCDRN Cc1cc(CC(=O)NCc2nnc(C3CC3)n2C2CC2)c(C)n1-c1ccccc1 ZINC000832126603 1025240249 /nfs/dbraw/zinc/24/02/49/1025240249.db2.gz OJINCMFWIJFWNH-UHFFFAOYSA-N 0 0 389.503 3.757 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCCc2c(F)cccc21 ZINC000838629598 1025250215 /nfs/dbraw/zinc/25/02/15/1025250215.db2.gz SKSOEXCOZYSJBF-JOCHJYFZSA-N 0 0 397.494 3.881 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)NC1CCC(OC(F)F)CC1 ZINC000838716407 1025316065 /nfs/dbraw/zinc/31/60/65/1025316065.db2.gz NHNDQFSXSLUZGJ-UHFFFAOYSA-N 0 0 393.228 3.504 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCC(C)(C)C(C)(C)O)cc1 ZINC000838720493 1025320371 /nfs/dbraw/zinc/32/03/71/1025320371.db2.gz WKDYWCFWOKZZBZ-UHFFFAOYSA-N 0 0 387.524 3.855 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCc2cccc(Br)c2)c1 ZINC000838745770 1025341423 /nfs/dbraw/zinc/34/14/23/1025341423.db2.gz YIWNTYBUJCPBHP-LBPRGKRZSA-N 0 0 393.281 3.766 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CCC[C@H]1C1CCCC1 ZINC000838746457 1025341958 /nfs/dbraw/zinc/34/19/58/1025341958.db2.gz IOWOVTWQIOBQNE-IBGZPJMESA-N 0 0 393.478 3.666 20 10 GHCDRN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838747907 1025343651 /nfs/dbraw/zinc/34/36/51/1025343651.db2.gz ZMTMKBGKWATWDU-ALKREAHSSA-N 0 0 393.478 3.664 20 10 GHCDRN Cc1ccc(NC(=O)C(=O)NCCCSc2nccs2)c(Cl)c1C ZINC000832261563 1025386021 /nfs/dbraw/zinc/38/60/21/1025386021.db2.gz YUKIQHAHOZVART-UHFFFAOYSA-N 0 0 383.926 3.650 20 10 GHCDRN C[C@@H]1[C@H](C)[S@](=O)CCN1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838839788 1025390618 /nfs/dbraw/zinc/39/06/18/1025390618.db2.gz FRKCOBYLKNBODU-HUYGQZFBSA-N 0 0 399.398 3.781 20 10 GHCDRN CC1(C)OC(=O)c2ccccc2[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001141538824 1025431701 /nfs/dbraw/zinc/43/17/01/1025431701.db2.gz WWAUSTJQEUKYCT-HXUWFJFHSA-N 0 0 378.472 3.636 20 10 GHCDRN Cc1c(F)cccc1NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838966814 1025483278 /nfs/dbraw/zinc/48/32/78/1025483278.db2.gz HHFICFMMOPYCGI-UHFFFAOYSA-N 0 0 379.382 3.571 20 10 GHCDRN CN1CCCc2cc(CNC(=O)Nc3ccc(-c4nncs4)cc3)ccc21 ZINC000839087390 1025583225 /nfs/dbraw/zinc/58/32/25/1025583225.db2.gz KKDCWKBEOZJZOT-UHFFFAOYSA-N 0 0 379.489 3.909 20 10 GHCDRN CCOC(=O)c1cc(C(C)C)nc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC001162297410 1025706953 /nfs/dbraw/zinc/70/69/53/1025706953.db2.gz MSODOKARVJDPDR-INIZCTEOSA-N 0 0 398.507 3.786 20 10 GHCDRN C[C@H](c1cccs1)N(C)C(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000839245439 1025752962 /nfs/dbraw/zinc/75/29/62/1025752962.db2.gz SRRXMGVURGCVIY-QGZVFWFLSA-N 0 0 399.560 3.916 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001139129634 1025941178 /nfs/dbraw/zinc/94/11/78/1025941178.db2.gz BOQDMMWACHHFHX-SFHVURJKSA-N 0 0 379.456 3.988 20 10 GHCDRN Cc1ccc([C@]2(C)C[N@H+](Cc3c([O-])ccc4c(C)cc(=O)oc43)CCO2)cc1 ZINC001139131315 1025943436 /nfs/dbraw/zinc/94/34/36/1025943436.db2.gz NPCQXCJKTHBNEN-QHCPKHFHSA-N 0 0 379.456 3.863 20 10 GHCDRN CCOC(=O)C(=Cc1cc(C)c(C)nc1NCc1c(C)nn(C)c1C)N=[N+]=[N-] ZINC001162878311 1025950533 /nfs/dbraw/zinc/95/05/33/1025950533.db2.gz GXJQHCASHSUXPJ-MFOYZWKCSA-N 0 0 383.456 3.875 20 10 GHCDRN Cc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000839525004 1026009562 /nfs/dbraw/zinc/00/95/62/1026009562.db2.gz MQRXTEKDBPAZBL-UHFFFAOYSA-N 0 0 396.447 3.790 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1c2c(ccc1OC)CCC2 ZINC000839548613 1026045241 /nfs/dbraw/zinc/04/52/41/1026045241.db2.gz QEQULASEBLCIRR-UHFFFAOYSA-N 0 0 396.487 3.657 20 10 GHCDRN COc1cc2c(c(OC)c1)N(Cc1nc(=O)c3c(C)c(C)sc3[nH]1)CCC2 ZINC000839656650 1026178865 /nfs/dbraw/zinc/17/88/65/1026178865.db2.gz QFCHCWNKMAZHBJ-UHFFFAOYSA-N 0 0 385.489 3.984 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1ccnc(-n2ccccc2=O)n1 ZINC001163486445 1026210620 /nfs/dbraw/zinc/21/06/20/1026210620.db2.gz IAOPILAVNQSCLI-FQEVSTJZSA-N 0 0 376.460 3.685 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2Nc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001163486292 1026210666 /nfs/dbraw/zinc/21/06/66/1026210666.db2.gz GMAWUKCECPCTEM-MRXNPFEDSA-N 0 0 377.828 3.940 20 10 GHCDRN COC(=O)c1cc2cnc(N[C@@H]3c4c(c(C)cc(C)c4O)CC3(C)C)nc2n1C ZINC001163487232 1026211044 /nfs/dbraw/zinc/21/10/44/1026211044.db2.gz NCNAIWDKWNBJKY-GOSISDBHSA-N 0 0 394.475 3.813 20 10 GHCDRN Cc1nc(-c2ncccn2)sc1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839916633 1026344705 /nfs/dbraw/zinc/34/47/05/1026344705.db2.gz VZKIAPFHHHUYLQ-CQSZACIVSA-N 0 0 395.532 3.644 20 10 GHCDRN Cc1onc(-c2ccncc2)c1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920224 1026347213 /nfs/dbraw/zinc/34/72/13/1026347213.db2.gz NQQTXNRYBHAMRR-HNNXBMFYSA-N 0 0 378.476 3.780 20 10 GHCDRN COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139688059 1026538770 /nfs/dbraw/zinc/53/87/70/1026538770.db2.gz XWRYDEYFQHLXSC-RBUKOAKNSA-N 0 0 375.415 3.982 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2CO[C@@H](C)C2)c(C)n1-c1ccc(Br)cc1 ZINC001164516505 1026540516 /nfs/dbraw/zinc/54/05/16/1026540516.db2.gz RFGGOEXXAGEWFQ-WFASDCNBSA-N 0 0 377.282 3.764 20 10 GHCDRN CC(C)(C)OC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(F)ccc(F)c1[O-] ZINC001139690273 1026542073 /nfs/dbraw/zinc/54/20/73/1026542073.db2.gz UDXFAPYTIFDEOF-AGUYFDCRSA-N 0 0 382.451 3.938 20 10 GHCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CCCCO1 ZINC001461124949 1069403305 /nfs/dbraw/zinc/40/33/05/1069403305.db2.gz DDOFBQCJEJZFHN-NSHDSACASA-N 0 0 379.092 3.576 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCCC[C@H]2C[C@H](C)O)cc1 ZINC001139878487 1026694524 /nfs/dbraw/zinc/69/45/24/1026694524.db2.gz FTUIYLDUYUXOSG-JTSKRJEESA-N 0 0 382.504 3.601 20 10 GHCDRN Oc1cccc(Br)c1CN1CCN(c2ccc(F)c(F)c2)CC1 ZINC001140098660 1026875016 /nfs/dbraw/zinc/87/50/16/1026875016.db2.gz KEUHCQFLSXRNTA-UHFFFAOYSA-N 0 0 383.236 3.755 20 10 GHCDRN CCOC[C@H]1CN(Cc2c(O)cccc2Br)Cc2cn(CC)nc21 ZINC001140099330 1026875931 /nfs/dbraw/zinc/87/59/31/1026875931.db2.gz BWZQNMKOHMSYEB-CQSZACIVSA-N 0 0 394.313 3.507 20 10 GHCDRN Cc1cc(C(=O)Cn2nc(C)sc2=O)c(C)n1-c1ccc(OC(F)F)cc1 ZINC001165998467 1026889709 /nfs/dbraw/zinc/88/97/09/1026889709.db2.gz NKACOKLJNVSNNW-UHFFFAOYSA-N 0 0 393.415 3.505 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2cc(C(=O)NC(C)(C)C)ccn2)C1 ZINC001166817757 1027094454 /nfs/dbraw/zinc/09/44/54/1027094454.db2.gz ILWVNFILMPHNBZ-UHFFFAOYSA-N 0 0 392.503 3.673 20 10 GHCDRN Cc1cc(I)c(Nc2ccc3c(c2)OCCN3)cc1O ZINC001209792891 1027196873 /nfs/dbraw/zinc/19/68/73/1027196873.db2.gz YICULZCVODWGIK-UHFFFAOYSA-N 0 0 382.201 3.853 20 10 GHCDRN COC(=O)NCc1ccc(NCc2cc(C)cc(Br)c2O)cc1 ZINC001461209865 1069443510 /nfs/dbraw/zinc/44/35/10/1069443510.db2.gz YDIQMMPRZVQXQD-UHFFFAOYSA-N 0 0 379.254 3.931 20 10 GHCDRN COc1ncc(N(c2ccc(N)cc2)S(=O)(=O)c2ccc(C)cc2)cc1F ZINC001203408490 1027319123 /nfs/dbraw/zinc/31/91/23/1027319123.db2.gz KHRZZCYWQXVQTL-UHFFFAOYSA-N 0 0 387.436 3.647 20 10 GHCDRN O=S(=O)(C[C@@H]1CC[C@H](C2CC2)O1)N(Cc1ccccc1O)C1CCCCC1 ZINC001210039220 1027325486 /nfs/dbraw/zinc/32/54/86/1027325486.db2.gz PFVWICPRLOGXLJ-PZJWPPBQSA-N 0 0 393.549 3.814 20 10 GHCDRN Cc1cccc(CO[C@@H](C)C(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC001141803430 1027329645 /nfs/dbraw/zinc/32/96/45/1027329645.db2.gz IXTFFYWREGVBTI-SFHVURJKSA-N 0 0 384.545 3.770 20 10 GHCDRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3cc(Cl)cc(Cl)c3[O-])O2)n1 ZINC001203575269 1027443603 /nfs/dbraw/zinc/44/36/03/1027443603.db2.gz IMDLOYBCJYQHCY-KFWWJZLASA-N 0 0 384.263 3.885 20 10 GHCDRN CCOc1cccc(CN2CCc3c(c(COC(C)C)nn3CC3CC3)C2)c1O ZINC001203607972 1027471658 /nfs/dbraw/zinc/47/16/58/1027471658.db2.gz FCGUOQUUMNXFRH-UHFFFAOYSA-N 0 0 399.535 3.881 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(Cc2cc(Br)ccc2O)CC12CC2 ZINC001203645582 1027503903 /nfs/dbraw/zinc/50/39/03/1027503903.db2.gz MSYQRMHXXSVDDM-UHFFFAOYSA-N 0 0 397.313 3.740 20 10 GHCDRN Oc1ccc(Br)cc1CN1CC[C@@H](N2CCCCC2)C(F)(F)C1 ZINC001203648014 1027505029 /nfs/dbraw/zinc/50/50/29/1027505029.db2.gz BLWKZTLSQSHZIO-MRXNPFEDSA-N 0 0 389.284 3.850 20 10 GHCDRN CCOC(=O)[C@H]1c2ccc(OC)cc2CCN1Cc1cc(Cl)ccc1O ZINC001203665498 1027519175 /nfs/dbraw/zinc/51/91/75/1027519175.db2.gz MJOKXFAXMXSFFY-LJQANCHMSA-N 0 0 375.852 3.717 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(CCCO)Cc1ccccc1 ZINC000840482206 1027565028 /nfs/dbraw/zinc/56/50/28/1027565028.db2.gz VCAWHKHJOHPTJY-LJQANCHMSA-N 0 0 383.536 3.586 20 10 GHCDRN COc1cc(CN(C)C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cc(OC)c1 ZINC000840482768 1027566254 /nfs/dbraw/zinc/56/62/54/1027566254.db2.gz AWFIOLNMWMVJKP-KRWDZBQOSA-N 0 0 399.535 3.851 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC(c2ccccn2)CC1 ZINC000840482502 1027567683 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GHCDRN CCN(CC)c1ccc(CN2CC[C@@H](n3cc(Br)cn3)C2)cc1 ZINC001203943434 1027738757 /nfs/dbraw/zinc/73/87/57/1027738757.db2.gz BHJNGNUFQBLRKG-GOSISDBHSA-N 0 0 377.330 3.939 20 10 GHCDRN CCN(CC)c1ccc(CN2CC[C@@](F)(CNC(=O)OC(C)(C)C)C2)cc1 ZINC001203946892 1027742813 /nfs/dbraw/zinc/74/28/13/1027742813.db2.gz ZQOPKAPPUAPFJX-OAQYLSRUSA-N 0 0 379.520 3.972 20 10 GHCDRN FC(F)(F)Oc1ccc(N2CCN(Cc3cccc4c3OCO4)CC2)cc1 ZINC001141961982 1027753188 /nfs/dbraw/zinc/75/31/88/1027753188.db2.gz PHOLPZYWOWWFHO-UHFFFAOYSA-N 0 0 380.366 3.636 20 10 GHCDRN CC[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(F)cc1[O-] ZINC000840756940 1027795812 /nfs/dbraw/zinc/79/58/12/1027795812.db2.gz FFGYMDOHTGEWII-SFHVURJKSA-N 0 0 380.410 3.887 20 10 GHCDRN O=C1N[C@@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)Nc2cc(F)c(F)cc21 ZINC000840835353 1027868087 /nfs/dbraw/zinc/86/80/87/1027868087.db2.gz XHHAPMUVBMDPEA-SFHVURJKSA-N 0 0 388.374 3.717 20 10 GHCDRN C[C@H](Nc1cccc2c1CN(C)C2=O)c1ccc(N2CCOCC2)cc1Cl ZINC000840856219 1027890873 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C[C@@]1(C(=O)NCc2ccc(N3CCSCC3)cc2)CCOc2ccccc21 ZINC001291628538 1043362619 /nfs/dbraw/zinc/36/26/19/1043362619.db2.gz QSYCKKCCOBLTDG-JOCHJYFZSA-N 0 0 382.529 3.596 20 10 GHCDRN CC[C@@H](C)NC(=O)CCn1c(C2CCCC2)nnc1N(C)Cc1ccccc1O ZINC001291807647 1043475240 /nfs/dbraw/zinc/47/52/40/1043475240.db2.gz IQQVGDPWKGHEHR-MRXNPFEDSA-N 0 0 399.539 3.583 20 10 GHCDRN O=S(=O)(NCc1cc(Cl)c2cccnc2c1O)c1cccc(Cl)c1 ZINC001256824489 1043678301 /nfs/dbraw/zinc/67/83/01/1043678301.db2.gz DYQCQPSUJWYAEZ-UHFFFAOYSA-N 0 0 383.256 3.726 20 10 GHCDRN CC(C)(C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000739699990 1043685502 /nfs/dbraw/zinc/68/55/02/1043685502.db2.gz NNDAJTHVLJGKJY-UHFFFAOYSA-N 0 0 399.516 3.742 20 10 GHCDRN CNc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1F ZINC001292382109 1043711288 /nfs/dbraw/zinc/71/12/88/1043711288.db2.gz MVIAAZIKHIVTTI-LJQANCHMSA-N 0 0 385.483 3.755 20 10 GHCDRN CS(=O)(=O)Nc1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)cc1 ZINC001256940886 1043764509 /nfs/dbraw/zinc/76/45/09/1043764509.db2.gz NDKVOKHGIALNMZ-UHFFFAOYSA-N 0 0 380.429 3.566 20 10 GHCDRN Cc1ccc(NS(C)(=O)=O)c(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c1 ZINC001256992660 1043791337 /nfs/dbraw/zinc/79/13/37/1043791337.db2.gz ZRKAJAIKIYEDPG-UHFFFAOYSA-N 0 0 394.456 3.874 20 10 GHCDRN O=C(NCc1cccc(OCC(F)F)c1)c1cc2cc(O)c(O)cc2s1 ZINC001292655886 1043820032 /nfs/dbraw/zinc/82/00/32/1043820032.db2.gz WTHVNPYOEKCZAQ-UHFFFAOYSA-N 0 0 379.384 3.886 20 10 GHCDRN Cc1ccc([C@@H]2C[C@@H]2c2nnc(-c3ccc(O)c(CN4CCOCC4)c3)o2)cc1 ZINC001257341976 1043968149 /nfs/dbraw/zinc/96/81/49/1043968149.db2.gz OWNBVMGLKBRZAY-PMACEKPBSA-N 0 0 391.471 3.854 20 10 GHCDRN CCc1nnc(N2CC[C@H]3OCCC[C@H]3C2)n1Cc1ccc(N(CC)CC)cc1 ZINC001293016082 1043986031 /nfs/dbraw/zinc/98/60/31/1043986031.db2.gz WSDSODKQDJYVSK-PZJWPPBQSA-N 0 0 397.567 3.740 20 10 GHCDRN CCN(CC)c1ccc(CN(C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000741678520 1044557585 /nfs/dbraw/zinc/55/75/85/1044557585.db2.gz SLFGLDGUNBSJLG-UHFFFAOYSA-N 0 0 384.480 3.820 20 10 GHCDRN CC1(C)COC2(CCC([NH2+]Cc3ccc(Br)cc3O)CC2)OC1 ZINC001258520601 1044597106 /nfs/dbraw/zinc/59/71/06/1044597106.db2.gz CEVNQEPYWSHDLT-UHFFFAOYSA-N 0 0 384.314 3.956 20 10 GHCDRN CCCN(C)c1nnc(-c2ccccn2)n1Cc1ccc2c(c1)CCCN2C ZINC001294433774 1044626752 /nfs/dbraw/zinc/62/67/52/1044626752.db2.gz PCOHSDYWKFWMCM-UHFFFAOYSA-N 0 0 376.508 3.617 20 10 GHCDRN COC(=O)c1cc(C)cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC001294671358 1044758012 /nfs/dbraw/zinc/75/80/12/1044758012.db2.gz IGKIWAHGJMPWLA-UHFFFAOYSA-N 0 0 379.412 3.923 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccnc4cc(Cl)ccc43)CC2)cc1F ZINC001294824570 1044809595 /nfs/dbraw/zinc/80/95/95/1044809595.db2.gz NBMORSQIFQKINT-UHFFFAOYSA-N 0 0 399.853 3.998 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccc(C(F)F)c(F)c3)CC2)cc1F ZINC001294824855 1044810365 /nfs/dbraw/zinc/81/03/65/1044810365.db2.gz PHDQVEHIWZZXFF-UHFFFAOYSA-N 0 0 382.357 3.873 20 10 GHCDRN C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])Oc1cccc(Br)c1 ZINC000742387434 1044920867 /nfs/dbraw/zinc/92/08/67/1044920867.db2.gz MDYGUZQRARJGEG-LLVKDONJSA-N 0 0 381.226 3.620 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@@H](CO)c2ccccc2C)ccc1C ZINC001295488076 1045033136 /nfs/dbraw/zinc/03/31/36/1045033136.db2.gz AJXLYLCPCWAOMB-QFIPXVFZSA-N 0 0 390.483 3.987 20 10 GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H](C)c1ccccc1C ZINC001295590908 1045061619 /nfs/dbraw/zinc/06/16/19/1045061619.db2.gz SSNCHMZEYSVALH-CQSZACIVSA-N 0 0 375.852 3.659 20 10 GHCDRN Cc1nn(C)c(C)c1OCC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC001295595433 1045063810 /nfs/dbraw/zinc/06/38/10/1045063810.db2.gz SFAISYQCPYQFDU-KRWDZBQOSA-N 0 0 393.487 3.911 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc(OC(F)F)cc1 ZINC001259427869 1045146008 /nfs/dbraw/zinc/14/60/08/1045146008.db2.gz VEFGBDCINMVPJK-UHFFFAOYSA-N 0 0 396.459 3.709 20 10 GHCDRN CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)Cc1ccc(O)c(O)c1 ZINC001297062070 1045439006 /nfs/dbraw/zinc/43/90/06/1045439006.db2.gz NSDKNHPQRKZFEA-CQSZACIVSA-N 0 0 390.277 3.766 20 10 GHCDRN COc1ccccc1CONC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC001297134997 1045461118 /nfs/dbraw/zinc/46/11/18/1045461118.db2.gz ATRUQVNBTHPDEB-UHFFFAOYSA-N 0 0 392.455 3.706 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@H](CO)CC1CCOCC1 ZINC001297175234 1045469586 /nfs/dbraw/zinc/46/95/86/1045469586.db2.gz FHXSXZACWDFDAW-HXUWFJFHSA-N 0 0 384.520 3.558 20 10 GHCDRN Cc1nc2cc(Cl)c(NS(=O)(=O)c3cccc4nsnc43)cc2o1 ZINC001260388210 1045486500 /nfs/dbraw/zinc/48/65/00/1045486500.db2.gz ZTCPLALMICGUHR-UHFFFAOYSA-N 0 0 380.838 3.595 20 10 GHCDRN O=S(=O)(Nc1cc(C(F)(F)F)c(F)cc1F)c1cccc2nsnc21 ZINC001260387908 1045486607 /nfs/dbraw/zinc/48/66/07/1045486607.db2.gz CICHJKUGBMMWKZ-UHFFFAOYSA-N 0 0 395.334 3.789 20 10 GHCDRN O=S(=O)(NCc1ccc(O)cc1O)c1c(Cl)cc(Cl)cc1Cl ZINC001260558993 1045545659 /nfs/dbraw/zinc/54/56/59/1045545659.db2.gz KXWZTKWXTXCILX-UHFFFAOYSA-N 0 0 382.652 3.537 20 10 GHCDRN CCOCCN(CC)c1nnc(CC(C)C)n1Cc1ccc2c(c1)CCCN2C ZINC001297541174 1045561851 /nfs/dbraw/zinc/56/18/51/1045561851.db2.gz KSWGGHSTXVFBTR-UHFFFAOYSA-N 0 0 399.583 3.770 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001297562913 1045570904 /nfs/dbraw/zinc/57/09/04/1045570904.db2.gz SHZBWFPREMASFW-LSDHHAIUSA-N 0 0 397.512 3.578 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@@H]1CCOC2(CCC2)C1 ZINC001298180019 1045727460 /nfs/dbraw/zinc/72/74/60/1045727460.db2.gz PEJDVZWBBQUDGO-GOSISDBHSA-N 0 0 380.488 3.986 20 10 GHCDRN Cc1cc(C(=O)NCc2cc(C)ccn2)c(C)n1-c1ccc(Br)cn1 ZINC001298482681 1045829343 /nfs/dbraw/zinc/82/93/43/1045829343.db2.gz ARLBZNRGORLSSE-UHFFFAOYSA-N 0 0 399.292 3.885 20 10 GHCDRN Cc1cc(F)c(NS(=O)(=O)c2ccc(Cl)c3nonc32)cc1Cl ZINC001261072923 1045887832 /nfs/dbraw/zinc/88/78/32/1045887832.db2.gz IJXXXQCIVRRFJF-UHFFFAOYSA-N 0 0 376.196 3.778 20 10 GHCDRN C[C@]1(CNC(=O)c2cc3cc(O)c(O)cc3s2)OCCc2sccc21 ZINC001298799936 1045951820 /nfs/dbraw/zinc/95/18/20/1045951820.db2.gz IVPQJOXLHKQMSW-GOSISDBHSA-N 0 0 375.471 3.592 20 10 GHCDRN NC(=O)N=Nc1ccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)cc1 ZINC001298830150 1045958065 /nfs/dbraw/zinc/95/80/65/1045958065.db2.gz QLEFDFLIPNKCPC-UHFFFAOYSA-N 0 0 385.387 3.811 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCOC[C@@H]2c2ccnn2C)c1 ZINC001261506676 1046014397 /nfs/dbraw/zinc/01/43/97/1046014397.db2.gz AJQBRSLAXDQWHV-HXUWFJFHSA-N 0 0 398.894 3.695 20 10 GHCDRN CC(=O)Nc1ccc(C2=N/C(=C/c3ccc(N4CCCCC4)cc3)C(=O)O2)cc1 ZINC000746015969 1046082478 /nfs/dbraw/zinc/08/24/78/1046082478.db2.gz DHYBVDXEPMLMCO-RCCKNPSSSA-N 0 0 389.455 3.980 20 10 GHCDRN Cc1cc(NCc2ccc(N3CCC(O)CC3)cc2)ccc1N1CCCC1=O ZINC001262028215 1046161143 /nfs/dbraw/zinc/16/11/43/1046161143.db2.gz DPPHFGMBNMODOS-UHFFFAOYSA-N 0 0 379.504 3.695 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1cscc1Cl ZINC001262040476 1046163819 /nfs/dbraw/zinc/16/38/19/1046163819.db2.gz RCNSPNHMLLNMOW-UHFFFAOYSA-N 0 0 379.913 3.580 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3oc(C4CC4)nc3C(F)F)C2)cc1 ZINC001262801648 1046349908 /nfs/dbraw/zinc/34/99/08/1046349908.db2.gz APHLIVBEWVTOFS-LBPRGKRZSA-N 0 0 377.391 3.507 20 10 GHCDRN COC[C@@H]1CCCCN(c2nnc(C3CC3)n2Cc2ccc(N(C)C)cc2C)C1 ZINC001301237416 1046422990 /nfs/dbraw/zinc/42/29/90/1046422990.db2.gz VTQRWGKXWMSTNV-GOSISDBHSA-N 0 0 397.567 3.831 20 10 GHCDRN COCCn1c(Cc2ccccc2Cl)nnc1N(C)Cc1ccccc1O ZINC001263139437 1046584842 /nfs/dbraw/zinc/58/48/42/1046584842.db2.gz WYIWFWCVRGHPIF-UHFFFAOYSA-N 0 0 386.883 3.511 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCN[C@H](c2ccc(O)cc2)C1 ZINC001301805235 1046714743 /nfs/dbraw/zinc/71/47/43/1046714743.db2.gz XSKHPIXQVHQTTR-QFIPXVFZSA-N 0 0 389.499 3.895 20 10 GHCDRN CC(C)Cn1c(C2SC=CC2=O)nnc1N1CCC(c2ccncn2)CC1 ZINC001263420736 1046803781 /nfs/dbraw/zinc/80/37/81/1046803781.db2.gz VRCISMJLOQWTCT-UHFFFAOYSA-N 0 0 384.509 3.542 20 10 GHCDRN CC/C=C\[C@H](O)c1nnc(N(C)Cc2ccccc2O)n1Cc1cccs1 ZINC001263490316 1046893130 /nfs/dbraw/zinc/89/31/30/1046893130.db2.gz OKJVTCMRJCGOMR-JDTSAYOFSA-N 0 0 384.505 3.730 20 10 GHCDRN Cc1ccc(Cl)cc1CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001263760744 1047097624 /nfs/dbraw/zinc/09/76/24/1047097624.db2.gz KUXKJUVXOPXNDS-UHFFFAOYSA-N 0 0 387.911 3.609 20 10 GHCDRN C[C@H](C(=O)N1Cc2cccc(O)c2C1)c1ccc(I)cc1 ZINC001302789639 1047106014 /nfs/dbraw/zinc/10/60/14/1047106014.db2.gz YDYNVNLUQFOUFH-NSHDSACASA-N 0 0 393.224 3.643 20 10 GHCDRN CC(C)Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1[C@@H]1C[C@@H]1C ZINC001302845916 1047137245 /nfs/dbraw/zinc/13/72/45/1047137245.db2.gz DHLHAMXRTYWREL-FXAWDEMLSA-N 0 0 383.540 3.531 20 10 GHCDRN CC(C)Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1[C@H]1C[C@H]1C ZINC001302845919 1047137704 /nfs/dbraw/zinc/13/77/04/1047137704.db2.gz DHLHAMXRTYWREL-XLIONFOSSA-N 0 0 383.540 3.531 20 10 GHCDRN Cc1sc2ncnc(SCCC(=O)NCc3cccc(O)c3O)c2c1C ZINC001263894821 1047180532 /nfs/dbraw/zinc/18/05/32/1047180532.db2.gz WVPFJUPUDRIFJO-UHFFFAOYSA-N 0 0 389.502 3.518 20 10 GHCDRN Cc1cc(C(=O)N2C[C@@H](O)CC[C@H]2C)c(C)n1-c1ccc(Br)cc1 ZINC001303004838 1047243590 /nfs/dbraw/zinc/24/35/90/1047243590.db2.gz QAHGTMFPRLFWAO-PXAZEXFGSA-N 0 0 391.309 3.842 20 10 GHCDRN CC(=O)N[C@H](CC(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1ccc(C)cc1 ZINC001264287285 1047297559 /nfs/dbraw/zinc/29/75/59/1047297559.db2.gz QOKZZVCYWJGRGV-HSZRJFAPSA-N 0 0 393.531 3.821 20 10 GHCDRN Cc1nn(CN(C)Cc2ccc(N3CCCCC3)cc2)c2ncc([N+](=O)[O-])cc12 ZINC000748448825 1047462848 /nfs/dbraw/zinc/46/28/48/1047462848.db2.gz HONQVVJNYHOMKY-UHFFFAOYSA-N 0 0 394.479 3.728 20 10 GHCDRN Cc1cc(C(=O)N2CCO[C@H](C)CC2)c(C)n1-c1ccc(Br)cn1 ZINC001303876570 1047526352 /nfs/dbraw/zinc/52/63/52/1047526352.db2.gz GNQZXGJLQNNCOI-CYBMUJFWSA-N 0 0 392.297 3.503 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2COC[C@H]2C)c(C)n1-c1ccc(Br)cc1 ZINC001303919927 1047534568 /nfs/dbraw/zinc/53/45/68/1047534568.db2.gz LBODVIAYWZIPDH-PIGZYNQJSA-N 0 0 377.282 3.621 20 10 GHCDRN COC(=O)[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)[C@H](C)C1 ZINC001303937247 1047538601 /nfs/dbraw/zinc/53/86/01/1047538601.db2.gz UVQIRVVOXIZNIL-RHSMWYFYSA-N 0 0 384.476 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CC(C)(C)[C@H](NC(=O)NCc1cccc(Br)c1O)C(F)(F)F ZINC000765344205 859921780 /nfs/dbraw/zinc/92/17/80/859921780.db2.gz AKRFMUCVCZSMTC-NSHDSACASA-N 0 0 383.208 3.931 20 10 GHCDRN CC[C@@H](C)n1ncc(NC(=O)NCc2cccc(Br)c2O)c1C ZINC000765387787 859951770 /nfs/dbraw/zinc/95/17/70/859951770.db2.gz GIMRWYGDJDNHOJ-SNVBAGLBSA-N 0 0 381.274 3.952 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1 ZINC000727170728 859982794 /nfs/dbraw/zinc/98/27/94/859982794.db2.gz WXRRJACVRNWPHC-GOSISDBHSA-N 0 0 396.487 3.583 20 10 GHCDRN CC(C)CC(=O)N[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)c1ccccc1 ZINC000727375688 860058559 /nfs/dbraw/zinc/05/85/59/860058559.db2.gz TXGGGZFREXUVID-QHCPKHFHSA-N 0 0 393.531 3.589 20 10 GHCDRN Cc1cc2c(ncnc2NCc2cc(F)c(N3CCOCC3)c(F)c2)s1 ZINC000840326374 860099782 /nfs/dbraw/zinc/09/97/82/860099782.db2.gz SYXAGRKQNJMTDY-UHFFFAOYSA-N 0 0 376.432 3.727 20 10 GHCDRN C[C@H]1CN(c2ccc(CNCc3nn(C)c4ccccc34)cc2F)C[C@H](C)O1 ZINC000727466931 860105293 /nfs/dbraw/zinc/10/52/93/860105293.db2.gz 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O=C(NCc1ccc(N2CCOCC2)cc1)C1(Cc2cccc(F)c2)CCC1 ZINC000775815982 874203889 /nfs/dbraw/zinc/20/38/89/874203889.db2.gz SDQBEQDUUDERPF-UHFFFAOYSA-N 0 0 382.479 3.692 20 10 GHCDRN Cc1cc(Br)ccc1S(=O)(=O)Nc1ccc(O)c(Cl)c1 ZINC000769866056 874309293 /nfs/dbraw/zinc/30/92/93/874309293.db2.gz SCDLOUSTQOPXHH-UHFFFAOYSA-N 0 0 376.659 3.917 20 10 GHCDRN O=C(NCCCSc1nccs1)NCCCc1nc2c(s1)CCCC2 ZINC000153153506 882815715 /nfs/dbraw/zinc/81/57/15/882815715.db2.gz MBTJLARTYQBDQO-UHFFFAOYSA-N 0 0 396.607 3.893 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3cc(C)oc3C(F)(F)F)CC2)cc1 ZINC000769894991 874326673 /nfs/dbraw/zinc/32/66/73/874326673.db2.gz RRRVKPVFTJSUNR-UHFFFAOYSA-N 0 0 382.382 3.968 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)[C@H]3COc4cc(C)c(C)cc43)CC2)cc1 ZINC000769894780 874328229 /nfs/dbraw/zinc/32/82/29/874328229.db2.gz PSLZRRWFGOKYPV-NRFANRHFSA-N 0 0 380.488 3.527 20 10 GHCDRN C[C@H](NCc1nnc(C(=O)Nc2ccc(F)cc2)s1)c1ccc(N(C)C)cc1 ZINC000775837070 874332911 /nfs/dbraw/zinc/33/29/11/874332911.db2.gz 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GHCDRN Cc1cc(Br)c([O-])c(C[NH2+]Cc2ccc(Cn3cccn3)cc2)c1 ZINC001198901088 874684010 /nfs/dbraw/zinc/68/40/10/874684010.db2.gz POEIEDHYVBWGTR-UHFFFAOYSA-N 0 0 386.293 3.998 20 10 GHCDRN COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(O)c1O ZINC000770468622 874701843 /nfs/dbraw/zinc/70/18/43/874701843.db2.gz JKMKMVBNLCCOQS-UHFFFAOYSA-N 0 0 385.338 3.703 20 10 GHCDRN Cc1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)ncc1Br ZINC000858109660 882854429 /nfs/dbraw/zinc/85/44/29/882854429.db2.gz ZFKRCIKOGZZIGS-OAHLLOKOSA-N 0 0 390.325 3.840 20 10 GHCDRN Cc1ccc(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)c(O)c1O ZINC000770489629 874731201 /nfs/dbraw/zinc/73/12/01/874731201.db2.gz VXNJMEXGAXMISH-UHFFFAOYSA-N 0 0 378.384 3.550 20 10 GHCDRN CC(C)[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1nc(-c2cccnc2)no1 ZINC000858123045 882862435 /nfs/dbraw/zinc/86/24/35/882862435.db2.gz WCWDOYRDGBDFRY-GOSISDBHSA-N 0 0 387.434 3.963 20 10 GHCDRN CCc1nn(C)cc1C(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1 ZINC000770745915 874862571 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C[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@H](C)C1(F)F ZINC000858154356 882892126 /nfs/dbraw/zinc/89/21/26/882892126.db2.gz FJILMHHLVLGDJN-GASCZTMLSA-N 0 0 383.508 3.673 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cnn(C)c1C1CC1 ZINC000771233486 875111859 /nfs/dbraw/zinc/11/18/59/875111859.db2.gz MINWPENPZZDJIO-UHFFFAOYSA-N 0 0 393.285 3.820 20 10 GHCDRN COc1cccc(CNC(=O)N[C@@H]2C[C@H](OCc3ccccc3)C2(C)C)c1O ZINC000771380608 875198862 /nfs/dbraw/zinc/19/88/62/875198862.db2.gz UEZNSVGNSMLPFP-MOPGFXCFSA-N 0 0 384.476 3.584 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3cc(C)oc3C(F)(F)F)CC2)cc1F ZINC000771398830 875240696 /nfs/dbraw/zinc/24/06/96/875240696.db2.gz NKHBQLYKKUMOTH-UHFFFAOYSA-N 0 0 386.345 3.717 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H](C)N2CCc3ccccc3C2)c1 ZINC001199934273 875249563 /nfs/dbraw/zinc/24/95/63/875249563.db2.gz RPEDDELMCXNJRV-OAHLLOKOSA-N 0 0 389.337 4.000 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(SC)ccc1C ZINC000776040457 875252826 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CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCc1nn(C)c2ccccc12 ZINC000776177918 875693720 /nfs/dbraw/zinc/69/37/20/875693720.db2.gz BUQQGSNAIVUAAH-UHFFFAOYSA-N 0 0 393.535 3.802 20 10 GHCDRN C[C@H](NS(=O)(=O)c1ccc(Oc2ccncc2)cc1)c1ccc(N(C)C)cc1 ZINC001201636233 875778305 /nfs/dbraw/zinc/77/83/05/875778305.db2.gz LXBWQMRQBIXZQG-INIZCTEOSA-N 0 0 397.500 3.979 20 10 GHCDRN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CCC2=Cc1c[nH]c(-c2ccccc2)n1 ZINC000172816155 875941534 /nfs/dbraw/zinc/94/15/34/875941534.db2.gz QNYRSANMXSXVKM-UVTDQMKNSA-N 0 0 385.383 3.639 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000106389464 875994733 /nfs/dbraw/zinc/99/47/33/875994733.db2.gz CFPGAFASBSYWNY-UHFFFAOYSA-N 0 0 398.532 3.718 20 10 GHCDRN CC[C@H](C)[C@H](NC(=O)NC1CCN(c2ccc(OC)cc2)CC1)C(F)(F)F ZINC000772526478 875997338 /nfs/dbraw/zinc/99/73/38/875997338.db2.gz STKDUTTZLLELTR-GUYCJALGSA-N 0 0 387.446 3.940 20 10 GHCDRN CC[C@H](C)[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000772536198 876001089 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Cc1cc(C(=O)CN2CC[C@H](O)[C@@H](C)C2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000249542555 912885568 /nfs/dbraw/zinc/88/55/68/912885568.db2.gz FIRPYEFQURKNPJ-DJJJIMSYSA-N 0 0 392.446 3.581 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000067564719 885004838 /nfs/dbraw/zinc/00/48/38/885004838.db2.gz VZPSOMVQJCGWGJ-NHCUHLMSSA-N 0 0 383.467 3.612 20 10 GHCDRN Cc1cc(NC(=O)NCCc2ccc(O)c(O)c2)c(F)cc1Br ZINC000806810020 885010262 /nfs/dbraw/zinc/01/02/62/885010262.db2.gz NWHQQCMHQRLEOA-UHFFFAOYSA-N 0 0 383.217 3.672 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1oc2ccccc2c1C ZINC000806832144 885046396 /nfs/dbraw/zinc/04/63/96/885046396.db2.gz JQILLDMZBSOARN-UHFFFAOYSA-N 0 0 380.444 3.502 20 10 GHCDRN C[C@H]1CCC[C@@H](NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000806965622 885120311 /nfs/dbraw/zinc/12/03/11/885120311.db2.gz KWVZRNFINNSLKD-AZUAARDMSA-N 0 0 385.552 3.720 20 10 GHCDRN Cc1cc(C(=O)OCC(=O)N2CCC[C@H]3CCCC[C@H]32)c(C)n1-c1ccccn1 ZINC000914905320 885141809 /nfs/dbraw/zinc/14/18/09/885141809.db2.gz HRPOWVCGDYOADT-UYAOXDASSA-N 0 0 395.503 3.827 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cccc(Oc4ccccn4)c3)C2)cc1 ZINC001130826530 885210278 /nfs/dbraw/zinc/21/02/78/885210278.db2.gz BOOJBIZDMMLLDV-GOSISDBHSA-N 0 0 389.455 3.891 20 10 GHCDRN C[C@H](NC(=O)N1CCn2c(C3CCCC3)nnc2[C@H]1C)c1ccc(N(C)C)cc1 ZINC000807141699 885259612 /nfs/dbraw/zinc/25/96/12/885259612.db2.gz VBSWPUPIGSGGBE-JKSUJKDBSA-N 0 0 396.539 3.849 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2ccc(N(C)C)nc2)c(C)n1-c1ccccc1 ZINC000914964965 885287515 /nfs/dbraw/zinc/28/75/15/885287515.db2.gz JIHYRVHZNNQUCX-UHFFFAOYSA-N 0 0 377.444 3.595 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)N3CC[C@H](O)C(C)(C)C3)cc2Cl)C1 ZINC000807209357 885297757 /nfs/dbraw/zinc/29/77/57/885297757.db2.gz ILYLYSRCXSVDJM-KXBFYZLASA-N 0 0 393.959 3.879 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)Cc1ccc(C)s1 ZINC000807278766 885338886 /nfs/dbraw/zinc/33/88/86/885338886.db2.gz JETLBXOCDLNJCW-OAHLLOKOSA-N 0 0 388.533 3.638 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)C[C@H](C)C(F)(F)F ZINC000861333012 885403717 /nfs/dbraw/zinc/40/37/17/885403717.db2.gz WHHYLPQLEDMUFM-ZDUSSCGKSA-N 0 0 388.430 3.964 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Nc3ccc4c(c3)COC(=O)N4)CC2)cc1 ZINC000861471806 885538849 /nfs/dbraw/zinc/53/88/49/885538849.db2.gz DFBZOYTULBWIRE-UHFFFAOYSA-N 0 0 396.447 3.502 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)Nc3ccc4c(c3)COC(=O)N4)CC2)cc1 ZINC000861471968 885540736 /nfs/dbraw/zinc/54/07/36/885540736.db2.gz IFNSEFIKHLPNGN-UHFFFAOYSA-N 0 0 396.447 3.548 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)c2ncsc2Br)C2CC2)cc1 ZINC000807572330 885541036 /nfs/dbraw/zinc/54/10/36/885541036.db2.gz YWDWGXLQAKCHGR-UHFFFAOYSA-N 0 0 380.311 3.776 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2F)cc1 ZINC001127488202 885549842 /nfs/dbraw/zinc/54/98/42/885549842.db2.gz WPRRMXFWOZZWIV-NRFANRHFSA-N 0 0 391.446 3.547 20 10 GHCDRN CNc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1 ZINC000861487483 885554047 /nfs/dbraw/zinc/55/40/47/885554047.db2.gz APEIHTRRPAPOMR-UHFFFAOYSA-N 0 0 394.519 3.752 20 10 GHCDRN CC[C@@H](C(=O)NCc1ccc(OC)cc1O)c1ccc(Br)cc1 ZINC000861489453 885555666 /nfs/dbraw/zinc/55/56/66/885555666.db2.gz AZEFMXLRXGANSP-MRXNPFEDSA-N 0 0 378.266 3.973 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H](C)Cc1cccs1 ZINC000807626973 885580649 /nfs/dbraw/zinc/58/06/49/885580649.db2.gz CCPSCHARDHACHD-MRXNPFEDSA-N 0 0 388.533 3.577 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)Nc2cn(C)nc2-c2ccco2)C2CC2)cc1 ZINC000861502855 885585093 /nfs/dbraw/zinc/58/50/93/885585093.db2.gz SFFCNLWVEWZIJB-UHFFFAOYSA-N 0 0 379.464 3.943 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)c3nn(C)cc3Cl)cc2Cl)C1 ZINC000861537941 885621105 /nfs/dbraw/zinc/62/11/05/885621105.db2.gz HTSAMJHMKYYNAG-GFCCVEGCSA-N 0 0 381.307 3.893 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc2occc2c1 ZINC000861549073 885631011 /nfs/dbraw/zinc/63/10/11/885631011.db2.gz XGFYKAQPNBKXEL-UHFFFAOYSA-N 0 0 383.423 3.855 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCCC[C@H]1SCC ZINC000807702048 885645797 /nfs/dbraw/zinc/64/57/97/885645797.db2.gz PBJKIIDDNMICMX-PKOBYXMFSA-N 0 0 392.565 3.701 20 10 GHCDRN COc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1Br ZINC000915083745 885706929 /nfs/dbraw/zinc/70/69/29/885706929.db2.gz JXMXMOMBAIGNNL-UHFFFAOYSA-N 0 0 389.293 3.988 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)c(C)n1-c1cccc(Cl)c1 ZINC000807818109 885738073 /nfs/dbraw/zinc/73/80/73/885738073.db2.gz DPSDLGDQHOYRQT-QGZVFWFLSA-N 0 0 399.922 3.832 20 10 GHCDRN CCCOc1ccc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1OC ZINC000861665149 885743764 /nfs/dbraw/zinc/74/37/64/885743764.db2.gz HYVBOTQCMYPWKR-QGZVFWFLSA-N 0 0 399.491 3.893 20 10 GHCDRN CN(C)c1ccc(CNC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000118457634 885760289 /nfs/dbraw/zinc/76/02/89/885760289.db2.gz BZYKMCUSSZNQPU-KRWDZBQOSA-N 0 0 382.291 3.592 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000861753926 885825037 /nfs/dbraw/zinc/82/50/37/885825037.db2.gz AQMQLEWLFKGJIX-RTWAWAEBSA-N 0 0 380.488 3.936 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CC(c2ccccc2)=NO1 ZINC000915140620 885849774 /nfs/dbraw/zinc/84/97/74/885849774.db2.gz KCFLSDRCKULTLO-JOCHJYFZSA-N 0 0 377.488 3.829 20 10 GHCDRN C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000762262168 885869486 /nfs/dbraw/zinc/86/94/86/885869486.db2.gz SLPYEBYLZMREJO-QGZVFWFLSA-N 0 0 391.467 3.815 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)/C=C\c1ncccc1C ZINC000807932266 885869846 /nfs/dbraw/zinc/86/98/46/885869846.db2.gz VJYBFNPBLPLODH-HJWRWDBZSA-N 0 0 395.503 3.792 20 10 GHCDRN C[C@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000861807046 885878007 /nfs/dbraw/zinc/87/80/07/885878007.db2.gz CBUNQIIVQKPDGM-NSHDSACASA-N 0 0 397.372 3.726 20 10 GHCDRN COc1ccc(N2C(=O)C3(CCCC3)N[C@H]2c2ccc(N(C)C)cc2)cc1OC ZINC000747439948 885882046 /nfs/dbraw/zinc/88/20/46/885882046.db2.gz GDRSEBCLOFHTON-OAQYLSRUSA-N 0 0 395.503 3.718 20 10 GHCDRN CCCN(C)c1ccccc1NC(=O)C(=O)N(CCC)Cc1ccccc1O ZINC000861818780 885891175 /nfs/dbraw/zinc/89/11/75/885891175.db2.gz AESJGAQRQIBZRK-UHFFFAOYSA-N 0 0 383.492 3.616 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cccc(C(C)C)c1 ZINC000807959181 885896896 /nfs/dbraw/zinc/89/68/96/885896896.db2.gz PAZDSGCQMIMWNM-UHFFFAOYSA-N 0 0 382.504 3.961 20 10 GHCDRN Cc1cc(-c2csc(NC(=O)c3cn(C)nn3)n2)c(C)n1-c1ccc(F)cc1 ZINC000807975710 885930181 /nfs/dbraw/zinc/93/01/81/885930181.db2.gz FGTQEBPUAVNSFI-UHFFFAOYSA-N 0 0 396.451 3.738 20 10 GHCDRN COc1cccc(CNC(=O)COC(=O)c2sccc2-n2c(C)ccc2C)c1 ZINC000919568740 885941549 /nfs/dbraw/zinc/94/15/49/885941549.db2.gz JKVWQKCXZWRPPH-UHFFFAOYSA-N 0 0 398.484 3.637 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)Oc1ccccc1Br ZINC000808093848 886010347 /nfs/dbraw/zinc/01/03/47/886010347.db2.gz WLXMFRSBDYXKQG-LBPRGKRZSA-N 0 0 399.281 3.724 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2nnc(C3CC3)s2)c1 ZINC000862000598 886044137 /nfs/dbraw/zinc/04/41/37/886044137.db2.gz KIRFMTBEWTUXDL-UHFFFAOYSA-N 0 0 380.473 3.566 20 10 GHCDRN Cc1ccc(-c2nn(C)cc2C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)o1 ZINC000862002107 886045426 /nfs/dbraw/zinc/04/54/26/886045426.db2.gz LLINVLLGGFZVLR-HNNXBMFYSA-N 0 0 380.492 3.724 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(CSC(C)C)c2C)c1 ZINC000862025093 886061817 /nfs/dbraw/zinc/06/18/17/886061817.db2.gz HCLUENQSBWPTMV-UHFFFAOYSA-N 0 0 386.517 3.906 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)NCc2ccc3cccnc3c2O)C1 ZINC000862027600 886063290 /nfs/dbraw/zinc/06/32/90/886063290.db2.gz YIRBHWKWFPMWMF-JOCHJYFZSA-N 0 0 399.491 3.594 20 10 GHCDRN Cc1cc(CC(=O)N[C@H](C)c2nc(C(F)(F)F)no2)c(C)n1-c1ccccc1 ZINC000862033188 886069109 /nfs/dbraw/zinc/06/91/09/886069109.db2.gz JJTLNPKGQCCRKQ-GFCCVEGCSA-N 0 0 392.381 3.916 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2CC(=O)Nc1ccc(Cl)cc1Cl ZINC000762344086 886073915 /nfs/dbraw/zinc/07/39/15/886073915.db2.gz LBPDQDPZZJWKTI-UHFFFAOYSA-N 0 0 380.275 3.897 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCC([C@H](C)CO)CC2)ccc1C ZINC000862131208 886143674 /nfs/dbraw/zinc/14/36/74/886143674.db2.gz UHOKWXBMAKTDSW-MRXNPFEDSA-N 0 0 382.504 3.696 20 10 GHCDRN Oc1cc2c(cc1CN1CCO[C@H](c3cccc(OC(F)(F)F)c3)C1)OCO2 ZINC000808232958 886161858 /nfs/dbraw/zinc/16/18/58/886161858.db2.gz ZYMMPKAOQCVCIV-SFHVURJKSA-N 0 0 397.349 3.593 20 10 GHCDRN CC(=O)N1CC[C@@H](CNC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C1 ZINC000808267704 886206495 /nfs/dbraw/zinc/20/64/95/886206495.db2.gz OMPRFJJMFODBQY-IBGZPJMESA-N 0 0 381.520 3.816 20 10 GHCDRN COC[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(Cl)c1 ZINC000808273990 886210824 /nfs/dbraw/zinc/21/08/24/886210824.db2.gz IKHGUKLMKPYINU-FQEVSTJZSA-N 0 0 385.895 3.903 20 10 GHCDRN Cc1cccc(C)c1NC(=O)CN(C)Cc1c(O)cccc1Br ZINC000862213493 886211358 /nfs/dbraw/zinc/21/13/58/886211358.db2.gz QNMZKADGMYWXIF-UHFFFAOYSA-N 0 0 377.282 3.842 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000862226288 886224491 /nfs/dbraw/zinc/22/44/91/886224491.db2.gz YROAJJQGCPOYMF-FGZHOGPDSA-N 0 0 382.479 3.597 20 10 GHCDRN C[C@H]1CCCN(C(=O)C2CCN(Cc3cc(F)c(N(C)C)cc3F)CC2)C1 ZINC000862228260 886225273 /nfs/dbraw/zinc/22/52/73/886225273.db2.gz PAIIDUDFXLPWEZ-HNNXBMFYSA-N 0 0 379.495 3.501 20 10 GHCDRN CC(C)C[C@H]1OCCC[C@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000805310333 886327685 /nfs/dbraw/zinc/32/76/85/886327685.db2.gz RJQQEFBHDZQBEP-GDBMZVCRSA-N 0 0 385.302 3.548 20 10 GHCDRN CC(C)C[C@H]1OCCC[C@@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000805310340 886329479 /nfs/dbraw/zinc/32/94/79/886329479.db2.gz RJQQEFBHDZQBEP-GOEBONIOSA-N 0 0 385.302 3.548 20 10 GHCDRN Cc1cc(CCNC(=O)Nc2cccc(C(N)=O)c2)c(C)n1-c1ccccc1 ZINC000915328296 886346578 /nfs/dbraw/zinc/34/65/78/886346578.db2.gz AMRBPVYXKCEQNS-UHFFFAOYSA-N 0 0 376.460 3.557 20 10 GHCDRN COc1c([O-])c(C[NH+]2CCC(c3nc4c(s3)CCC4)CC2)ccc1[N+](=O)[O-] ZINC001184116387 913035519 /nfs/dbraw/zinc/03/55/19/913035519.db2.gz WKAXDHKZCYCRRB-UHFFFAOYSA-N 0 0 389.477 3.634 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)NCC1(c2ccccc2)CCCC1 ZINC000919790553 886372319 /nfs/dbraw/zinc/37/23/19/886372319.db2.gz RUQHLDQPRGXGSA-UHFFFAOYSA-N 0 0 393.531 3.834 20 10 GHCDRN Cc1cc(C(=O)O[C@@H](C)C(=O)NCC(F)(F)F)c(C)n1-c1cccc(C)c1 ZINC000808430775 886378016 /nfs/dbraw/zinc/37/80/16/886378016.db2.gz YUDBSZHZIIKKRG-AWEZNQCLSA-N 0 0 382.382 3.626 20 10 GHCDRN CC(=O)C(=O)COC(=O)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1 ZINC000808515625 886445697 /nfs/dbraw/zinc/44/56/97/886445697.db2.gz UVTCHSCPJTXMEQ-QGZVFWFLSA-N 0 0 381.211 3.815 20 10 GHCDRN CN(Cc1ccc(Br)o1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000130689157 886563350 /nfs/dbraw/zinc/56/33/50/886563350.db2.gz BWAHPZKWWDQXMH-UHFFFAOYSA-N 0 0 383.261 3.650 20 10 GHCDRN Cc1cc(C(=O)NC[C@@]2(CCO)CCOC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000119064075 886575847 /nfs/dbraw/zinc/57/58/47/886575847.db2.gz YCXLFUAPDUSVLV-HSZRJFAPSA-N 0 0 384.520 3.736 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c1 ZINC000862755310 886584196 /nfs/dbraw/zinc/58/41/96/886584196.db2.gz QKGGCRFPVRWGTR-FQEVSTJZSA-N 0 0 393.405 3.985 20 10 GHCDRN C[C@@H]([NH2+]CCC1CC(O)C1)c1cc(Br)cc(Br)c1[O-] ZINC000762643208 886585468 /nfs/dbraw/zinc/58/54/68/886585468.db2.gz BNWZUNLIYMDHKJ-FKTRJACZSA-N 0 0 393.119 3.729 20 10 GHCDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NCc1cc(C)ccc1O)O[C@@H](C)C2 ZINC000862760458 886586617 /nfs/dbraw/zinc/58/66/17/886586617.db2.gz RFGWWNCQMVJZJW-FNHZYXHNSA-N 0 0 381.472 3.843 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)c1 ZINC000862759329 886586847 /nfs/dbraw/zinc/58/68/47/886586847.db2.gz CVTFXALXCQYKSP-HNNXBMFYSA-N 0 0 381.501 3.843 20 10 GHCDRN Nc1ccc2c(c1NC(=O)C1CC3(C1)CC(F)(F)C3)C(=O)c1ccccc1C2=O ZINC001184203692 913070080 /nfs/dbraw/zinc/07/00/80/913070080.db2.gz IUQYCQURHRYOKN-UHFFFAOYSA-N 0 0 396.393 3.808 20 10 GHCDRN COC(=O)/C=C/c1ccc(N2CCC(Oc3ccncc3C)CC2)c([N+](=O)[O-])c1 ZINC000774731313 913071243 /nfs/dbraw/zinc/07/12/43/913071243.db2.gz HQUBPTNNAUHQSZ-GQCTYLIASA-N 0 0 397.431 3.532 20 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887529994 /nfs/dbraw/zinc/52/99/94/887529994.db2.gz SNSAHLUBTKHLOT-UHFFFAOYSA-N 0 0 399.560 3.977 20 10 GHCDRN O=C(NCCCSc1nccs1)N[C@H]1CCCN(c2ccccc2F)C1 ZINC000763027433 887571044 /nfs/dbraw/zinc/57/10/44/887571044.db2.gz CBJAJGIPXKOKPR-AWEZNQCLSA-N 0 0 394.541 3.733 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H](CCCO)c1ccccc1 ZINC000153739966 887572676 /nfs/dbraw/zinc/57/26/76/887572676.db2.gz QDIHYHGVYVDYFS-OAQYLSRUSA-N 0 0 399.560 3.553 20 10 GHCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@@H]3c3ccccc3)CC2)c(OC)c1 ZINC001131804838 887649896 /nfs/dbraw/zinc/64/98/96/887649896.db2.gz QYOJEEDWKNGCSV-NHCUHLMSSA-N 0 0 394.515 3.936 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000119957730 887660972 /nfs/dbraw/zinc/66/09/72/887660972.db2.gz VHOSBTQURBSLFD-NRFANRHFSA-N 0 0 376.504 3.849 20 10 GHCDRN CC1(C)CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CCS1(=O)=O ZINC000809655600 887661316 /nfs/dbraw/zinc/66/13/16/887661316.db2.gz MWLIVEQXRLBJAK-UHFFFAOYSA-N 0 0 398.572 3.648 20 10 GHCDRN CCOC(=O)c1cnn(C2CC[NH+](Cc3cc(Cl)cc(F)c3[O-])CC2)c1C ZINC000809687743 887708008 /nfs/dbraw/zinc/70/80/08/887708008.db2.gz PVAUSUQGGMLPFB-UHFFFAOYSA-N 0 0 395.862 3.703 20 10 GHCDRN COc1c([O-])c(C[NH+]2CCC([C@@H](O)c3ccccc3C)CC2)ccc1[N+](=O)[O-] ZINC000809703380 887720873 /nfs/dbraw/zinc/72/08/73/887720873.db2.gz PEPGTUSCTFQDEZ-LJQANCHMSA-N 0 0 386.448 3.563 20 10 GHCDRN Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)nn1C(C)(C)C ZINC000120069027 887779458 /nfs/dbraw/zinc/77/94/58/887779458.db2.gz GHUYBFAJYQCGMM-FQEVSTJZSA-N 0 0 398.551 3.834 20 10 GHCDRN CN(C)[C@@H](CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccco1 ZINC000053525939 887785927 /nfs/dbraw/zinc/78/59/27/887785927.db2.gz GMJNMYLDZMEXEK-FQEVSTJZSA-N 0 0 384.524 3.714 20 10 GHCDRN O=C1OC(c2cccnc2)=N/C1=C\c1ccc2c(c1)CCN2Cc1ccccc1 ZINC000794688279 887788003 /nfs/dbraw/zinc/78/80/03/887788003.db2.gz LFSKFIYRFDYAKX-STZFKDTASA-N 0 0 381.435 3.989 20 10 GHCDRN O=C([O-])C[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000864523224 887825274 /nfs/dbraw/zinc/82/52/74/887825274.db2.gz IJPHDMJMUQSYLM-SFHVURJKSA-N 0 0 389.496 3.956 20 10 GHCDRN COc1ccc(N2CCCN(c3nnc(-c4cccc(Cl)c4)n3C)CC2)cc1 ZINC000809874094 887903361 /nfs/dbraw/zinc/90/33/61/887903361.db2.gz HRFOFERRBKVXJS-UHFFFAOYSA-N 0 0 397.910 3.861 20 10 GHCDRN COc1ccc(-c2nsc(NC(=O)NCc3ccc(N(C)C)cc3C)n2)cc1 ZINC000809928258 887980659 /nfs/dbraw/zinc/98/06/59/887980659.db2.gz MRNFARIHMUPGKR-UHFFFAOYSA-N 0 0 397.504 3.910 20 10 GHCDRN CC(=O)c1cc(Cl)cc(CN(Cc2ccc(C(N)=O)cc2F)C2CC2)c1O ZINC000794772753 888008467 /nfs/dbraw/zinc/00/84/67/888008467.db2.gz QNIVUCZOTJIAFG-UHFFFAOYSA-N 0 0 390.842 3.651 20 10 GHCDRN C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CCOc2cc(N(C)C)ccc21 ZINC000774750137 913203062 /nfs/dbraw/zinc/20/30/62/913203062.db2.gz GOJVZNPUJNYOJY-LBPRGKRZSA-N 0 0 377.847 3.771 20 10 GHCDRN C[C@@H](NC(=O)COc1ccc(N(C)C)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000810001324 888069700 /nfs/dbraw/zinc/06/97/00/888069700.db2.gz BHGFZEIXJPDLAT-CYBMUJFWSA-N 0 0 382.382 3.907 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3cc4c(ccnc4Cl)o3)CC2)cc1 ZINC000864949956 888096601 /nfs/dbraw/zinc/09/66/01/888096601.db2.gz RSFUXGIMBUQLDC-UHFFFAOYSA-N 0 0 385.851 3.842 20 10 GHCDRN Cc1cc(CNC(=O)[C@@H](C)OC[C@H]2CCCCO2)c(C)n1-c1cccc(C)c1 ZINC001132043143 888103940 /nfs/dbraw/zinc/10/39/40/888103940.db2.gz BKRKTKSYNMEHPN-DENIHFKCSA-N 0 0 384.520 3.993 20 10 GHCDRN C[C@H](CC(=O)c1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000865019459 888140013 /nfs/dbraw/zinc/14/00/13/888140013.db2.gz UMFUWQMSCKSBIJ-SJORKVTESA-N 0 0 398.478 3.749 20 10 GHCDRN CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000794831406 888246614 /nfs/dbraw/zinc/24/66/14/888246614.db2.gz DCVUXAYXWPXSGI-ZYHUDNBSSA-N 0 0 389.721 3.717 20 10 GHCDRN COC[C@@]1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])OCCc2ccccc21 ZINC000810158463 888247988 /nfs/dbraw/zinc/24/79/88/888247988.db2.gz NFJKJIHLWFQHDZ-LJQANCHMSA-N 0 0 382.287 3.903 20 10 GHCDRN Cn1c2ccc(Cl)cc2nc1/C(Cl)=C/c1cn(C[C@H]2CCOC2)nn1 ZINC000865218161 888252323 /nfs/dbraw/zinc/25/23/23/888252323.db2.gz PEDGCDHFAYBOSJ-DKTFCQPKSA-N 0 0 378.263 3.592 20 10 GHCDRN CCc1c(C(=O)NCc2ccc(N3CCSCC3)cc2)cnn1CC(C)C ZINC000120450352 888268567 /nfs/dbraw/zinc/26/85/67/888268567.db2.gz NZRILLMHZLWCFA-UHFFFAOYSA-N 0 0 386.565 3.585 20 10 GHCDRN COCc1nc(C[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])cs1 ZINC000810253320 888355924 /nfs/dbraw/zinc/35/59/24/888355924.db2.gz QVKKPCPULCNNMG-MRVPVSSYSA-N 0 0 375.263 3.748 20 10 GHCDRN CN(C(=O)OC(C)(C)C)c1ccc(CC(=O)N2CCc3cccc(O)c3C2)cc1 ZINC001184467703 913239424 /nfs/dbraw/zinc/23/94/24/913239424.db2.gz FZPMQDOUIZBZKB-UHFFFAOYSA-N 0 0 396.487 3.891 20 10 GHCDRN CC(C)(C)c1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)s1 ZINC000763279513 888437287 /nfs/dbraw/zinc/43/72/87/888437287.db2.gz BKJLMIIZDXZIPO-MRXNPFEDSA-N 0 0 399.560 3.677 20 10 GHCDRN Cc1cc(CNC(=O)c2ccc(C(=O)NC3CC3)cc2)c(C)n1-c1ccccc1 ZINC001132268235 888494844 /nfs/dbraw/zinc/49/48/44/888494844.db2.gz XGVMDJGLAUSTDE-UHFFFAOYSA-N 0 0 387.483 3.916 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccnc(NC(=O)C3CC3)c2)cc1 ZINC000794853637 888499885 /nfs/dbraw/zinc/49/98/85/888499885.db2.gz YUOKHFZAJLXKIF-UHFFFAOYSA-N 0 0 380.492 3.549 20 10 GHCDRN O=C(NCCCSc1nccs1)c1nc(Br)sc1Cl ZINC000865783658 888570540 /nfs/dbraw/zinc/57/05/40/888570540.db2.gz AAWOPZOAMGZCEV-UHFFFAOYSA-N 0 0 398.760 3.928 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NCCCSc2nccs2)CC1 ZINC000865782649 888570973 /nfs/dbraw/zinc/57/09/73/888570973.db2.gz BJDSNLGGBKANPS-HDJSIYSDSA-N 0 0 399.582 3.825 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1nnc(-c2ccccc2)o1 ZINC000865894362 888634265 /nfs/dbraw/zinc/63/42/65/888634265.db2.gz LDOLFCWISDJNIE-UHFFFAOYSA-N 0 0 376.460 3.999 20 10 GHCDRN Oc1cccc2c1CN(c1ncc(C3CC3)c(N3Cc4cccc(O)c4C3)n1)C2 ZINC000866117063 888740442 /nfs/dbraw/zinc/74/04/42/888740442.db2.gz FRCAUOLZOQKIGS-UHFFFAOYSA-N 0 0 386.455 3.806 20 10 GHCDRN CN1C(=O)c2ccccc2/C(=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1=O ZINC000916141639 888762275 /nfs/dbraw/zinc/76/22/75/888762275.db2.gz NYDYQUILXIPUGS-AQTBWJFISA-N 0 0 391.427 3.738 20 10 GHCDRN O=C([C@H]1SCCc2sccc21)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000153885995 888808719 /nfs/dbraw/zinc/80/87/19/888808719.db2.gz XZVAFNDJVPVNGO-BEFAXECRSA-N 0 0 389.542 3.992 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)c1 ZINC000866407456 888860512 /nfs/dbraw/zinc/86/05/12/888860512.db2.gz SREVFUKJFKYBNR-MEDUHNTESA-N 0 0 383.366 3.582 20 10 GHCDRN CSc1ncc(C(=O)N2CCOc3cc(N(C)C)ccc32)n1-c1ccccc1 ZINC000475939915 888867256 /nfs/dbraw/zinc/86/72/56/888867256.db2.gz KXAXVHWPJWWLQS-UHFFFAOYSA-N 0 0 394.500 3.699 20 10 GHCDRN C[C@@H](NCc1nnc(C2CCOCC2)[nH]1)c1ccc(N2CCCCC2)c(F)c1 ZINC000866440031 888878801 /nfs/dbraw/zinc/87/88/01/888878801.db2.gz COLVZDDGOSGRAD-OAHLLOKOSA-N 0 0 387.503 3.679 20 10 GHCDRN CCCCn1c2nc(-c3ccc(N4CCCCC4)cc3)n(CC)c2c(=O)[nH]c1=O ZINC000916369684 888938451 /nfs/dbraw/zinc/93/84/51/888938451.db2.gz OGUNVZNETYOBNW-UHFFFAOYSA-N 0 0 395.507 3.776 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)OCc1ccncc1 ZINC000866604459 888963524 /nfs/dbraw/zinc/96/35/24/888963524.db2.gz WBZOHNYWLUMMHJ-ZDUSSCGKSA-N 0 0 393.281 3.504 20 10 GHCDRN CCOCn1nc(C)c(C[C@@H](C)C(=O)NCc2c(O)ccc3c2CCCC3)c1C ZINC000866771172 889032459 /nfs/dbraw/zinc/03/24/59/889032459.db2.gz OAIZGZJIFBMUGN-OAHLLOKOSA-N 0 0 399.535 3.573 20 10 GHCDRN Cc1cc(C(=O)N2CCC(N3CCCCC3=O)CC2)c(C)n1-c1ccc(F)cc1 ZINC000121600828 889050941 /nfs/dbraw/zinc/05/09/41/889050941.db2.gz UZYDYNFRWSQHRL-UHFFFAOYSA-N 0 0 397.494 3.850 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000916505232 889062543 /nfs/dbraw/zinc/06/25/43/889062543.db2.gz PUPDLSBULIVJRP-UHFFFAOYSA-N 0 0 393.447 3.557 20 10 GHCDRN Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)N[C@H]3CCCC[C@H]3C)sc2n1 ZINC000916525512 889084140 /nfs/dbraw/zinc/08/41/40/889084140.db2.gz BISUSRRVLRCQEB-HONMWMINSA-N 0 0 389.521 3.736 20 10 GHCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(N(C)C)c2)cc1 ZINC000916566414 889141578 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CC/C(C)=C\C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000826584865 903807595 /nfs/dbraw/zinc/80/75/95/903807595.db2.gz JGNODJJFPOTLGV-OJSRQPNCSA-N 0 0 375.513 3.791 20 10 GHCDRN Cc1ccc(-n2nc(C(=O)NCc3cc(C)ccc3O)c3c2CCC3)c(C)c1 ZINC001147956683 903933483 /nfs/dbraw/zinc/93/34/83/903933483.db2.gz HNARYRBVHWFFCD-UHFFFAOYSA-N 0 0 375.472 3.922 20 10 GHCDRN C[C@H](NC(=O)c1cc(COc2ccccc2F)on1)c1ccc(N(C)C)cc1 ZINC000772998129 904338890 /nfs/dbraw/zinc/33/88/90/904338890.db2.gz IPKWSABRHAOOFB-AWEZNQCLSA-N 0 0 383.423 3.950 20 10 GHCDRN C[C@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1)c1ccc(N(C)C)cc1 ZINC000773000084 904355106 /nfs/dbraw/zinc/35/51/06/904355106.db2.gz NDMVFUGRJNNGLR-AWEZNQCLSA-N 0 0 387.480 3.861 20 10 GHCDRN Cc1ccc2nc(CSCC(=O)N[C@H](C)c3ccc(N(C)C)cc3)cn2c1 ZINC000773001562 904357072 /nfs/dbraw/zinc/35/70/72/904357072.db2.gz UYZHOKCVNVISJJ-MRXNPFEDSA-N 0 0 382.533 3.819 20 10 GHCDRN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773018883 904378779 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O=C(/C=C/c1ccc(O)c(O)c1)N1CCc2c(F)cc(Br)cc2C1 ZINC000779528346 907375246 /nfs/dbraw/zinc/37/52/46/907375246.db2.gz HFFGSZZLOLAIEI-DUXPYHPUSA-N 0 0 392.224 3.598 20 10 GHCDRN NC(=O)Cc1cccc(C(=O)c2ccccc2)c1Nc1cnc2cccnc2c1 ZINC001175357242 907516546 /nfs/dbraw/zinc/51/65/46/907516546.db2.gz AZHVVSPIBYAWEN-UHFFFAOYSA-N 0 0 382.423 3.632 20 10 GHCDRN COc1ccc(OC)c(N2C(=O)/C(=C/c3ccc(F)nc3)SC2=S)c1 ZINC000777403901 907544140 /nfs/dbraw/zinc/54/41/40/907544140.db2.gz POUBRMXPIIQDJO-AUWJEWJLSA-N 0 0 376.434 3.644 20 10 GHCDRN Cc1cc(C(=O)N2CCC(=O)[C@H](C)C2)c(C)n1-c1cccc(Br)c1 ZINC000779547316 907550210 /nfs/dbraw/zinc/55/02/10/907550210.db2.gz QMVPMFHLTOHVBM-GFCCVEGCSA-N 0 0 389.293 3.908 20 10 GHCDRN CC[C@@H](CO)N(Cc1ccccc1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000779551121 907593190 /nfs/dbraw/zinc/59/31/90/907593190.db2.gz XCNTVAGXLVEFJA-NRFANRHFSA-N 0 0 381.520 3.552 20 10 GHCDRN COc1cc(Cl)cc(CNc2ccc(CN3C(=O)CCCC3=O)cc2)c1O ZINC000184818030 907662846 /nfs/dbraw/zinc/66/28/46/907662846.db2.gz OAYPLDCFVUZXBP-UHFFFAOYSA-N 0 0 388.851 3.705 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCCN(C)c2ccccn2)c1 ZINC001175716162 907700803 /nfs/dbraw/zinc/70/08/03/907700803.db2.gz NANYTDBYYYKHIO-UHFFFAOYSA-N 0 0 390.487 3.558 20 10 GHCDRN C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)c1ccc(F)cc1[O-] ZINC000185180728 907727621 /nfs/dbraw/zinc/72/76/21/907727621.db2.gz QCSQNHRWQHMEQK-JYJNAYRXSA-N 0 0 386.467 3.632 20 10 GHCDRN Cc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)nn1[C@@H](C)C1CC1 ZINC000777425437 907929795 /nfs/dbraw/zinc/92/97/95/907929795.db2.gz ZJYAEROUHWDNBG-LPHOPBHVSA-N 0 0 383.492 3.690 20 10 GHCDRN Cc1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc2n[nH]cc21 ZINC000779622514 907945944 /nfs/dbraw/zinc/94/59/44/907945944.db2.gz CCQKLEWQQHBSIX-KRWDZBQOSA-N 0 0 380.448 3.790 20 10 GHCDRN C[C@H]1CCC[C@H](N(C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000080049040 908223791 /nfs/dbraw/zinc/22/37/91/908223791.db2.gz IDFILRGCLTVDJS-RDJZCZTQSA-N 0 0 377.504 3.507 20 10 GHCDRN Cc1ccccc1C[C@H](C)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000193394205 908325138 /nfs/dbraw/zinc/32/51/38/908325138.db2.gz WIQGSEILHOITQB-IBGZPJMESA-N 0 0 395.547 3.634 20 10 GHCDRN C[C@H](NC(=O)N[C@H](c1nccn1C)c1ccccc1F)c1ccc(N(C)C)cc1 ZINC000773618056 908465264 /nfs/dbraw/zinc/46/52/64/908465264.db2.gz HENCGOLPQUXBQI-YWZLYKJASA-N 0 0 395.482 3.775 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cc2ccccc2CO)cc1 ZINC000779735656 908470210 /nfs/dbraw/zinc/47/02/10/908470210.db2.gz MAQNJSUNDTXKED-UHFFFAOYSA-N 0 0 378.472 3.609 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC[C@@H](N(C)C)C(F)(F)F)c1 ZINC001177342709 908534951 /nfs/dbraw/zinc/53/49/51/908534951.db2.gz KHFIUNZEHZTDRV-GOSISDBHSA-N 0 0 395.425 3.519 20 10 GHCDRN CCO[C@H](CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000193586084 908540284 /nfs/dbraw/zinc/54/02/84/908540284.db2.gz AGBRTXRYZXBTAU-JOCHJYFZSA-N 0 0 397.519 3.741 20 10 GHCDRN C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccc(F)c(F)c1[O-] ZINC000191222340 908596590 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COC[C@H](C)CNC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000195698704 909033280 /nfs/dbraw/zinc/03/32/80/909033280.db2.gz REDOLRJOXCFOCW-GFCCVEGCSA-N 0 0 379.298 3.869 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@H](c2ccccc2)N2CCSCC2)cc1 ZINC000195739179 909039754 /nfs/dbraw/zinc/03/97/54/909039754.db2.gz HOLFEGJYBNXGKY-QFIPXVFZSA-N 0 0 397.588 3.939 20 10 GHCDRN O=C(NCc1ccccc1O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000779923657 909073921 /nfs/dbraw/zinc/07/39/21/909073921.db2.gz LNJLWZIFWYANIE-ZDUSSCGKSA-N 0 0 376.840 3.783 20 10 GHCDRN Cc1c(NCc2cc(Br)cc(F)c2O)cccc1N1CCNC1=O ZINC001178576275 909130691 /nfs/dbraw/zinc/13/06/91/909130691.db2.gz MAGMWZKNGJPLMU-UHFFFAOYSA-N 0 0 394.244 3.744 20 10 GHCDRN COCCCn1ccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)n1 ZINC000266403806 909133298 /nfs/dbraw/zinc/13/32/98/909133298.db2.gz MLONNQMDDDVYOB-UHFFFAOYSA-N 0 0 386.496 3.992 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1 ZINC000773767749 909218997 /nfs/dbraw/zinc/21/89/97/909218997.db2.gz 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CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)c1nnc(C)s1 ZINC000274167516 911248608 /nfs/dbraw/zinc/24/86/08/911248608.db2.gz HVBIOHPKYBCNBW-VIFPVBQESA-N 0 0 399.314 3.607 20 10 GHCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cncc(-n2ccnn2)c1 ZINC000801937030 921648170 /nfs/dbraw/zinc/64/81/70/921648170.db2.gz BVBVEWBRVYAKNG-QGZVFWFLSA-N 0 0 399.454 3.772 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCNC(=O)c1ccsc1 ZINC000248042305 911632647 /nfs/dbraw/zinc/63/26/47/911632647.db2.gz LCTCOKAMKCXWBT-UHFFFAOYSA-N 0 0 385.533 3.517 20 10 GHCDRN COC(=O)c1c(CNc2ccc(-n3nncc3C)cc2)c2cc(F)ccc2n1C ZINC001182566990 911872739 /nfs/dbraw/zinc/87/27/39/911872739.db2.gz SFXSLYGKASXRBB-UHFFFAOYSA-N 0 0 393.422 3.605 20 10 GHCDRN C[C@](O)(C(=O)Nc1ccc(NC(=O)Nc2ccc(N)cc2)cc1)c1ccccc1 ZINC001182932770 912164093 /nfs/dbraw/zinc/16/40/93/912164093.db2.gz BWXIYOZJBVSVQI-JOCHJYFZSA-N 0 0 390.443 3.759 20 10 GHCDRN C[C@@H](NCc1ncc(I)s1)c1ccc(N(C)C)cc1 ZINC000796354328 914956567 /nfs/dbraw/zinc/95/65/67/914956567.db2.gz 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Cc1cc(-c2nc(CCC(F)(F)F)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000546994529 930596361 /nfs/dbraw/zinc/59/63/61/930596361.db2.gz OOSJHPVVPSFUIU-UHFFFAOYSA-N 0 0 381.379 3.756 20 10 GHCDRN Cc1ccc(C(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c(O)c1O ZINC000780969484 930656391 /nfs/dbraw/zinc/65/63/91/930656391.db2.gz SDDWRERBRRDJCB-UHFFFAOYSA-N 0 0 394.402 3.728 20 10 GHCDRN COc1ccc(C(=O)c2ccccc2C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000781247726 930757641 /nfs/dbraw/zinc/75/76/41/930757641.db2.gz HQDQGDBFHHNAJD-UHFFFAOYSA-N 0 0 388.467 3.922 20 10 GHCDRN Cc1cc(O)c(CN2CCNC(=O)[C@H]2c2ccccc2C(F)(F)F)cc1C ZINC000781583152 930893460 /nfs/dbraw/zinc/89/34/60/930893460.db2.gz CVJIASODUQMIMX-GOSISDBHSA-N 0 0 378.394 3.701 20 10 GHCDRN COC(=O)c1ccc(CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)[nH]1 ZINC000781921568 931029415 /nfs/dbraw/zinc/02/94/15/931029415.db2.gz UQQMGLYTJAAKKF-UHFFFAOYSA-N 0 0 399.491 3.779 20 10 GHCDRN Cc1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c(C)n1Cc1ccccc1 ZINC000782099243 931090280 /nfs/dbraw/zinc/09/02/80/931090280.db2.gz ZBQGYZLWWMCWSQ-UHFFFAOYSA-N 0 0 379.412 3.604 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000782547032 931265377 /nfs/dbraw/zinc/26/53/77/931265377.db2.gz NPUWNICZNHHENJ-KGLIPLIRSA-N 0 0 399.875 3.879 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000782561917 931271027 /nfs/dbraw/zinc/27/10/27/931271027.db2.gz RZGOQGIHGSSEGL-VXKWHMMOSA-N 0 0 393.531 3.734 20 10 GHCDRN C[C@H](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1c[nH]c2ccccc21 ZINC000782677456 931299628 /nfs/dbraw/zinc/29/96/28/931299628.db2.gz UHVVYLNKWFAKER-MRXNPFEDSA-N 0 0 395.478 3.954 20 10 GHCDRN COC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cn1 ZINC000782817311 931341173 /nfs/dbraw/zinc/34/11/73/931341173.db2.gz RLVXBQOZPNZNTL-UHFFFAOYSA-N 0 0 379.416 3.537 20 10 GHCDRN Cc1nccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1Br ZINC000782859724 931354327 /nfs/dbraw/zinc/35/43/27/931354327.db2.gz KNSLLIKOWZHRKT-NSHDSACASA-N 0 0 377.286 3.523 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC000557437135 931424814 /nfs/dbraw/zinc/42/48/14/931424814.db2.gz OEWUTSPFNALAAR-QGZVFWFLSA-N 0 0 377.488 3.597 20 10 GHCDRN CC[C@H](C)n1nc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1C ZINC000783329791 931521993 /nfs/dbraw/zinc/52/19/93/931521993.db2.gz XMTCWVQIMKWAFO-INIZCTEOSA-N 0 0 399.539 3.604 20 10 GHCDRN O=C(NCc1c[nH]c(=O)c2ccccc12)NCc1c(O)ccc2c1CCCC2 ZINC000924811314 931547856 /nfs/dbraw/zinc/54/78/56/931547856.db2.gz SBFMSMYSEKNLFF-UHFFFAOYSA-N 0 0 377.444 3.524 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000783575973 931587091 /nfs/dbraw/zinc/58/70/91/931587091.db2.gz QNRNGEPUVBTCEE-UHFFFAOYSA-N 0 0 399.495 3.552 20 10 GHCDRN COc1ccc(Oc2ccc(/C=C3/SC(N4CCOCC4)=NC3=O)cc2)cc1 ZINC000783702515 931623552 /nfs/dbraw/zinc/62/35/52/931623552.db2.gz YRQFSZWRXMXZKF-XMHGGMMESA-N 0 0 396.468 3.790 20 10 GHCDRN O=C(COC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1ccc(O)c(O)c1 ZINC000783819839 931667644 /nfs/dbraw/zinc/66/76/44/931667644.db2.gz AJQYDTHPEGDSLR-CHWSQXEVSA-N 0 0 396.317 3.526 20 10 GHCDRN C/C(=C/C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000783934807 931722791 /nfs/dbraw/zinc/72/27/91/931722791.db2.gz YGASDSNYNLGLOI-BHWVZIDZSA-N 0 0 395.459 3.712 20 10 GHCDRN CC(=CC(=O)OCC(=O)c1ccc(O)c(O)c1)c1ccccc1OC(F)F ZINC000784066977 931773319 /nfs/dbraw/zinc/77/33/19/931773319.db2.gz OWYRHINGBPAUEB-DHZHZOJOSA-N 0 0 378.327 3.529 20 10 GHCDRN Nc1ccc(N(CC2CCCC2)C(=O)C(=O)N2CCc3cc(F)c(F)cc32)cc1 ZINC000784106917 931786498 /nfs/dbraw/zinc/78/64/98/931786498.db2.gz AFKIMQRLMPJQGM-UHFFFAOYSA-N 0 0 399.441 3.660 20 10 GHCDRN O=C(COC(=O)C1(c2c(Cl)cccc2Cl)CC1)c1ccc(O)c(O)c1 ZINC000784117825 931789515 /nfs/dbraw/zinc/78/95/15/931789515.db2.gz OJGNIPUBFOADBM-UHFFFAOYSA-N 0 0 381.211 3.862 20 10 GHCDRN CS[C@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC000784246848 931831882 /nfs/dbraw/zinc/83/18/82/931831882.db2.gz NVQZIZVYONRXBE-MAUKXSAKSA-N 0 0 379.570 3.661 20 10 GHCDRN Cc1cc(C(=O)N(CCO)C2CCC2)c(C)n1-c1ccccc1Br ZINC000784699596 931983060 /nfs/dbraw/zinc/98/30/60/931983060.db2.gz JKQGCYVXHFFFLK-UHFFFAOYSA-N 0 0 391.309 3.844 20 10 GHCDRN C[C@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000797114920 932188190 /nfs/dbraw/zinc/18/81/90/932188190.db2.gz WVTNNJLZBKKLIR-XPTSAGLGSA-N 0 0 387.229 3.613 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)Oc3ccc4c(c3)CC(=O)N4)ccc21 ZINC000797347661 932259287 /nfs/dbraw/zinc/25/92/87/932259287.db2.gz PPQRJMBPHLBCRK-UHFFFAOYSA-N 0 0 378.428 3.618 20 10 GHCDRN COc1ccc(CNC(=O)C(=O)Nc2cc(-c3ccc(C)o3)ccc2C)c(O)c1 ZINC000797390829 932269706 /nfs/dbraw/zinc/26/97/06/932269706.db2.gz VAYBCAJSCULBBE-UHFFFAOYSA-N 0 0 394.427 3.533 20 10 GHCDRN CNC(=O)[C@@]1(C)CCN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)C1 ZINC000797585034 932334932 /nfs/dbraw/zinc/33/49/32/932334932.db2.gz SXGCMPWCPLMLAO-QFIPXVFZSA-N 0 0 393.491 3.766 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(OCc2cccnc2)cc1 ZINC000797624047 932348246 /nfs/dbraw/zinc/34/82/46/932348246.db2.gz YKDOAYADEIBGEY-OAHLLOKOSA-N 0 0 393.443 3.825 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(OCc2cccnc2)cc1 ZINC000797624046 932348414 /nfs/dbraw/zinc/34/84/14/932348414.db2.gz YKDOAYADEIBGEY-HNNXBMFYSA-N 0 0 393.443 3.825 20 10 GHCDRN Cc1ccc(Cc2nnc(NC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)s2)cc1 ZINC000797625620 932348544 /nfs/dbraw/zinc/34/85/44/932348544.db2.gz YBDRUTANIWCUGJ-CYBMUJFWSA-N 0 0 398.488 3.601 20 10 GHCDRN COc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1Br ZINC000797626180 932348605 /nfs/dbraw/zinc/34/86/05/932348605.db2.gz FLTBHAMLKDOAFU-JTQLQIEISA-N 0 0 395.253 3.622 20 10 GHCDRN CC(C)n1ccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n1 ZINC000797680706 932366117 /nfs/dbraw/zinc/36/61/17/932366117.db2.gz QZQRGXBUUIRFAK-HUUCEWRRSA-N 0 0 389.475 3.538 20 10 GHCDRN Cc1c(NC(=O)NCc2ccccc2O)cc(Br)cc1[N+](=O)[O-] ZINC000797683558 932367695 /nfs/dbraw/zinc/36/76/95/932367695.db2.gz OGRSYCZSIZXIHY-UHFFFAOYSA-N 0 0 380.198 3.693 20 10 GHCDRN O=C(CO[C@@H]1CCCc2ccccc21)NCc1ccc(N2CCSCC2)cc1 ZINC000797709341 932376600 /nfs/dbraw/zinc/37/66/00/932376600.db2.gz VGBFOSSHNMYMLP-JOCHJYFZSA-N 0 0 396.556 3.950 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1ccc([S@@](C)=O)cc1 ZINC000797803533 932410692 /nfs/dbraw/zinc/41/06/92/932410692.db2.gz UYVFNLIRDHVGTL-HHHXNRCGSA-N 0 0 384.545 3.615 20 10 GHCDRN Cc1cc(CCNC(=O)Cc2ccc([S@@](C)=O)cc2)c(C)n1-c1ccccc1 ZINC000797803594 932411411 /nfs/dbraw/zinc/41/14/11/932411411.db2.gz VLFRYNWBPXVQNH-MUUNZHRXSA-N 0 0 394.540 3.733 20 10 GHCDRN Cc1cc(Br)c(O)c(CNc2ccc(C(N)=O)c(OC(C)C)c2)c1 ZINC000798086072 932524543 /nfs/dbraw/zinc/52/45/43/932524543.db2.gz JGQTYRHMIRLONP-UHFFFAOYSA-N 0 0 393.281 3.961 20 10 GHCDRN CCc1ccnc(CNC(=O)N(CC)Cc2cc(Br)ccc2O)c1 ZINC000798119269 932538454 /nfs/dbraw/zinc/53/84/54/932538454.db2.gz ZLWMOIPIYDSGDU-UHFFFAOYSA-N 0 0 392.297 3.844 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc2ncn(C)c21 ZINC000798172073 932551576 /nfs/dbraw/zinc/55/15/76/932551576.db2.gz FKYPBXLKYWSGGT-UHFFFAOYSA-N 0 0 388.265 3.704 20 10 GHCDRN Cc1ccc(O)c(CNc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1 ZINC000798272141 932586538 /nfs/dbraw/zinc/58/65/38/932586538.db2.gz DBVUNMWKLJDOLD-UHFFFAOYSA-N 0 0 398.507 3.765 20 10 GHCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1cnc(OC)nc1C ZINC000798349384 932608251 /nfs/dbraw/zinc/60/82/51/932608251.db2.gz YYQXRSSOGWGDHG-UHFFFAOYSA-N 0 0 398.488 3.741 20 10 GHCDRN Cc1cc(-c2csc(NC(=O)c3cnnn3C)n2)c(C)n1-c1ccc(F)cc1 ZINC000798353861 932609843 /nfs/dbraw/zinc/60/98/43/932609843.db2.gz FGZJXLWSYMCPQB-UHFFFAOYSA-N 0 0 396.451 3.738 20 10 GHCDRN Cc1ccc(O)c([C@H](C)Nc2cnc(N3CCOCC3)c(Br)c2)c1 ZINC000798940496 932826775 /nfs/dbraw/zinc/82/67/75/932826775.db2.gz JGUBGDQQCCCMBY-ZDUSSCGKSA-N 0 0 392.297 3.868 20 10 GHCDRN COc1ncc(CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)c(C)n1 ZINC000799122815 932882035 /nfs/dbraw/zinc/88/20/35/932882035.db2.gz WRBNCHOPNQUJRQ-UHFFFAOYSA-N 0 0 398.507 3.771 20 10 GHCDRN C[C@H](NC(=O)C(=O)Nc1ccccc1NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000799260236 932935765 /nfs/dbraw/zinc/93/57/65/932935765.db2.gz RLBHOJUXLNWHKI-HNNXBMFYSA-N 0 0 382.508 3.779 20 10 GHCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC1(CC(=O)OC)CC1 ZINC000799299590 932943572 /nfs/dbraw/zinc/94/35/72/932943572.db2.gz NBHPFPQCUQQZRM-UHFFFAOYSA-N 0 0 388.489 3.777 20 10 GHCDRN C[C@H](c1ccccc1)N(Cc1nnn(CC(F)(F)F)n1)Cc1ccccc1O ZINC000799311375 932946973 /nfs/dbraw/zinc/94/69/73/932946973.db2.gz UIARETWXHLSTHK-CQSZACIVSA-N 0 0 391.397 3.704 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1nc(C2CCC2)cs1 ZINC000799447637 933009926 /nfs/dbraw/zinc/00/99/26/933009926.db2.gz ZPMOCCVIHDQPHT-UHFFFAOYSA-N 0 0 386.521 3.911 20 10 GHCDRN CC(C)c1nnc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1 ZINC000799628263 933067939 /nfs/dbraw/zinc/06/79/39/933067939.db2.gz DIAZNOHXVFTDKF-GFCCVEGCSA-N 0 0 396.463 3.662 20 10 GHCDRN COc1ccc(N2CCC(Nc3cccc(-c4nnc(C)n4C)c3)CC2)cc1 ZINC000777704853 933089202 /nfs/dbraw/zinc/08/92/02/933089202.db2.gz LJLZOCYTTGMGPE-UHFFFAOYSA-N 0 0 377.492 3.880 20 10 GHCDRN C[C@@H]([NH2+][C@H](CCO)Cc1ccccc1)c1cc(Br)c(F)cc1[O-] ZINC000799730387 933101198 /nfs/dbraw/zinc/10/11/98/933101198.db2.gz FBBMMGMQUUQUKC-TZMCWYRMSA-N 0 0 382.273 3.938 20 10 GHCDRN C[C@@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1cc(Br)cc(F)c1[O-] ZINC000799731473 933101594 /nfs/dbraw/zinc/10/15/94/933101594.db2.gz OBOCNFKKTNKBAT-DOMZBBRYSA-N 0 0 382.273 3.938 20 10 GHCDRN O=C(NCCc1cccc2[nH]ccc21)NCc1ccc(N2CCSCC2)cc1 ZINC000799887192 933152590 /nfs/dbraw/zinc/15/25/90/933152590.db2.gz QCEDHCHXRAEOCG-UHFFFAOYSA-N 0 0 394.544 3.763 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@H]1CCCC(F)(F)C1 ZINC000799886958 933152771 /nfs/dbraw/zinc/15/27/71/933152771.db2.gz HIOPLIVIGSUXMN-MRXNPFEDSA-N 0 0 383.508 3.865 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)NCCOC3CCC3)cc2Cl)C1 ZINC000799936569 933176356 /nfs/dbraw/zinc/17/63/56/933176356.db2.gz UUIALXWPIHCDDU-HNNXBMFYSA-N 0 0 379.932 3.945 20 10 GHCDRN Cc1nccn1CCNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000799940983 933178922 /nfs/dbraw/zinc/17/89/22/933178922.db2.gz HUOMEEDPLSCPJJ-HNNXBMFYSA-N 0 0 389.931 3.581 20 10 GHCDRN Cc1cc(CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)ncn1 ZINC000799962031 933190560 /nfs/dbraw/zinc/19/05/60/933190560.db2.gz LRTKXIQFQDAPCX-CQSZACIVSA-N 0 0 387.915 3.674 20 10 GHCDRN Cc1ocnc1CNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000799965631 933191964 /nfs/dbraw/zinc/19/19/64/933191964.db2.gz QAPSVWPFLOCGIL-ZDUSSCGKSA-N 0 0 376.888 3.872 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)NCC[C@H]3CCOC3)cc2Cl)C1 ZINC000799970279 933194989 /nfs/dbraw/zinc/19/49/89/933194989.db2.gz KBWNWHBUHILDCU-HOTGVXAUSA-N 0 0 379.932 3.802 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCCOCC3)cc2Cl)C1 ZINC000799993672 933205424 /nfs/dbraw/zinc/20/54/24/933205424.db2.gz DGZKSTYWKQOXQR-NVXWUHKLSA-N 0 0 379.932 3.945 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCCOCC3)cc2Cl)C1 ZINC000799993670 933205452 /nfs/dbraw/zinc/20/54/52/933205452.db2.gz DGZKSTYWKQOXQR-DOTOQJQBSA-N 0 0 379.932 3.945 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H](CO)CC3CC3)cc2Cl)C1 ZINC000799994356 933206667 /nfs/dbraw/zinc/20/66/67/933206667.db2.gz KYMUYGRZHUJADG-RHSMWYFYSA-N 0 0 379.932 3.537 20 10 GHCDRN COC[C@@H]1CCCN1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000799994129 933206838 /nfs/dbraw/zinc/20/68/38/933206838.db2.gz KEVIAXNRGJIEDJ-WBVHZDCISA-N 0 0 379.932 3.897 20 10 GHCDRN COC(=O)N1CCCN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1 ZINC001115940081 933252792 /nfs/dbraw/zinc/25/27/92/933252792.db2.gz VFTWAFNFAAWINY-UHFFFAOYSA-N 0 0 389.883 3.662 20 10 GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(Cl)ccc1F ZINC000777826843 933621416 /nfs/dbraw/zinc/62/14/16/933621416.db2.gz SLYRUPMFHVFOGE-UHFFFAOYSA-N 0 0 386.206 3.654 20 10 GHCDRN O=C(NCc1cccc(C(F)F)c1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001116705194 933714867 /nfs/dbraw/zinc/71/48/67/933714867.db2.gz YUMMQAIKLGNGKV-UHFFFAOYSA-N 0 0 393.409 3.599 20 10 GHCDRN CC(C)(C)OC(=O)[C@H](Cc1ccncc1)NCc1ccc(N2CCCC2)cc1 ZINC001118326310 934139624 /nfs/dbraw/zinc/13/96/24/934139624.db2.gz SQXAYNBSRONCNB-NRFANRHFSA-N 0 0 381.520 3.724 20 10 GHCDRN Cc1cc(CNC(=O)Nc2nc3c(s2)COCC3)c(C)n1-c1ccccc1 ZINC001118856662 934268439 /nfs/dbraw/zinc/26/84/39/934268439.db2.gz XIRMWMZGRADVRS-UHFFFAOYSA-N 0 0 382.489 3.945 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H](C)c2nnnn2C2CC2)c1 ZINC001119218938 934316073 /nfs/dbraw/zinc/31/60/73/934316073.db2.gz ROWIGOSJSJBZPB-CYBMUJFWSA-N 0 0 384.871 3.560 20 10 GHCDRN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)NCc1cccc(Cl)c1O ZINC000931024803 934340981 /nfs/dbraw/zinc/34/09/81/934340981.db2.gz LNTLAIKXIFAHMA-UHFFFAOYSA-N 0 0 387.867 3.816 20 10 GHCDRN COc1cc(C)cc(CNc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1O ZINC001119448822 934352972 /nfs/dbraw/zinc/35/29/72/934352972.db2.gz MWRPKWSACYTKDI-HOTGVXAUSA-N 0 0 384.476 3.571 20 10 GHCDRN Cc1ccc2cccnc2c1S(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC000777967723 934424626 /nfs/dbraw/zinc/42/46/26/934424626.db2.gz YBZKJHQSWQGVCP-UHFFFAOYSA-N 0 0 381.501 3.622 20 10 GHCDRN CS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)c(Cl)c1 ZINC001120584363 934476291 /nfs/dbraw/zinc/47/62/91/934476291.db2.gz FPCDBVNGLFOVIQ-UHFFFAOYSA-N 0 0 393.896 3.564 20 10 GHCDRN COC(=O)/C=C/c1ccc(N2CCC(OCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000931400463 934542289 /nfs/dbraw/zinc/54/22/89/934542289.db2.gz ZFFQSVRTLUYSQE-CSKARUKUSA-N 0 0 396.443 3.967 20 10 GHCDRN Nc1ccc(Cc2nc(C(=O)NC[C@@H]3CCC[C@H](C(F)(F)F)O3)cs2)cc1 ZINC001122187846 934840727 /nfs/dbraw/zinc/84/07/27/934840727.db2.gz MAKCNICGRGGADL-DZGCQCFKSA-N 0 0 399.438 3.546 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc([C@H]2CCCC2(F)F)n1C[C@H]1CCCO1 ZINC001122782636 934985162 /nfs/dbraw/zinc/98/51/62/934985162.db2.gz HQCACXIVFPOCBM-HZPDHXFCSA-N 0 0 392.450 3.702 20 10 GHCDRN Cc1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1N ZINC000828358856 935619139 /nfs/dbraw/zinc/61/91/39/935619139.db2.gz NXLLSCXDSUTTKU-UHFFFAOYSA-N 0 0 375.419 3.577 20 10 GHCDRN CCNc1nnc(SCC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)s1 ZINC000828872950 935732838 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Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC001594311440 958028465 /nfs/dbraw/zinc/02/84/65/958028465.db2.gz JBXKNQNLIHSJOI-KRWDZBQOSA-N 0 0 399.535 3.676 20 10 GHCDRN CN(c1ccc(CNC(=O)[C@@H]2COCCN2C2CCCC2)cc1)C1CCCCC1 ZINC001625905162 1014357660 /nfs/dbraw/zinc/35/76/60/1014357660.db2.gz KJIDXUJJHFIIQO-QHCPKHFHSA-N 0 0 399.579 3.715 20 10 GHCDRN C[C@](CCF)([NH2+]Cc1ccc(N2CCCCC2)c(Br)c1)C(=O)[O-] ZINC001592505957 978316346 /nfs/dbraw/zinc/31/63/46/978316346.db2.gz HPKRHZYKGGURKJ-QGZVFWFLSA-N 0 0 387.293 3.732 20 10 GHCDRN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])Cc1ccc(N2CCC(O)CC2)cc1 ZINC001595363005 980777640 /nfs/dbraw/zinc/77/76/40/980777640.db2.gz VZPUURNZVFJQPY-QFIPXVFZSA-N 0 0 382.504 3.686 20 10 GHCDRN Cc1cc(C(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)c(C)n1-c1cccc(C(C)C)c1 ZINC001154434621 1032101751 /nfs/dbraw/zinc/10/17/51/1032101751.db2.gz VLYDAIJFKLDLNQ-UZKOGDIHSA-N 0 0 382.504 3.751 20 10 GHCDRN CCNC(=O)c1ccc(NC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)cc1 ZINC001626024512 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379.460 3.655 20 10 GHCDRN CCO[C@H]1C[C@H]([N@H+](C)Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1(C)C ZINC001204239536 1032682733 /nfs/dbraw/zinc/68/27/33/1032682733.db2.gz WQKIOPAAERPSMP-ROUUACIJSA-N 0 0 376.472 3.739 20 10 GHCDRN CCOC[C@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)Cc2cnn(C)c21 ZINC001204239081 1032682810 /nfs/dbraw/zinc/68/28/10/1032682810.db2.gz ULFMNNZRQOHRTB-LJQANCHMSA-N 0 0 378.520 3.775 20 10 GHCDRN C[C@H]([NH2+]C[C@@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1)c1ccc(F)cc1[O-] ZINC000926996921 1017337866 /nfs/dbraw/zinc/33/78/66/1017337866.db2.gz XTNDWEQSTYLDDF-OHCIBOTMSA-N 0 0 379.472 3.851 20 10 GHCDRN O=C(c1ccccc1)c1ccc(O)c(O)c1OC1CN(Cc2ccccc2)C1 ZINC001227937943 1032705702 /nfs/dbraw/zinc/70/57/02/1032705702.db2.gz PYFDLDZGZFDLNQ-UHFFFAOYSA-N 0 0 375.424 3.592 20 10 GHCDRN CCOC(=O)[C@@H]1CCC[C@H](Oc2c(O)c(O)ccc2C(=O)c2ccccc2)C1 ZINC001227939898 1032706839 /nfs/dbraw/zinc/70/68/39/1032706839.db2.gz FTXCMMAOQVFBDR-CVEARBPZSA-N 0 0 384.428 3.830 20 10 GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCCc1cccs1 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/nfs/dbraw/zinc/42/98/97/1020429897.db2.gz BDBPDSVVTVVEDR-UHFFFAOYSA-N 0 0 397.381 3.669 20 10 GHCDRN COCC(=O)N1CCc2cc(N[C@H](C)c3cc4c(cc3O)CCCC4)ccc21 ZINC000187659938 1020431914 /nfs/dbraw/zinc/43/19/14/1020431914.db2.gz KHEFYKQVFGFORM-OAHLLOKOSA-N 0 0 380.488 3.980 20 10 GHCDRN C[C@@]1(C(=O)NCc2c(O)cccc2F)CC(c2cccc(Cl)c2F)=NO1 ZINC001156170848 1032912166 /nfs/dbraw/zinc/91/21/66/1032912166.db2.gz VCZWXJPFPNCBEG-SFHVURJKSA-N 0 0 380.778 3.523 20 10 GHCDRN CCCCS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000192365426 1020867014 /nfs/dbraw/zinc/86/70/14/1020867014.db2.gz OGQAHPXHWHHTAV-UHFFFAOYSA-N 0 0 388.533 3.599 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccc(OC)c(NC(C)=O)c2)cc1 ZINC000193554117 1020937188 /nfs/dbraw/zinc/93/71/88/1020937188.db2.gz UDVCTZXOXVWWLS-UHFFFAOYSA-N 0 0 384.480 3.822 20 10 GHCDRN CNc1nc2cc(C(=O)n3c(=N)ccc(N=Nc4ccccc4)c3N)ccc2[nH]1 ZINC001156273667 1032953675 /nfs/dbraw/zinc/95/36/75/1032953675.db2.gz OBSBNKLRRIDPMG-LSYRRAASSA-N 0 0 386.419 3.572 20 10 GHCDRN Cc1nc2sccn2c1C[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC001204533095 1032955169 /nfs/dbraw/zinc/95/51/69/1032955169.db2.gz AWTJPLGFQPAOQK-UHFFFAOYSA-N 0 0 384.274 3.943 20 10 GHCDRN Cc1cc(C(=O)NC[C@@H](C)C[C@H](C)O)c(C)n1-c1ccc(Br)cc1 ZINC000303857203 1021146601 /nfs/dbraw/zinc/14/66/01/1021146601.db2.gz PATJKMUYONWLEW-JSGCOSHPSA-N 0 0 393.325 3.993 20 10 GHCDRN COc1ccc(N2CCN(Cc3ccc(Br)cc3N)CC2)c(C)c1 ZINC001140224701 1021188782 /nfs/dbraw/zinc/18/87/82/1021188782.db2.gz CANLZEFNDQQAHT-UHFFFAOYSA-N 0 0 390.325 3.671 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)c1cccc(N2CCCC2)c1 ZINC000834475746 1021213234 /nfs/dbraw/zinc/21/32/34/1021213234.db2.gz CAQBPXMVVLJVSV-UHFFFAOYSA-N 0 0 375.266 3.685 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)/C(C)=C/c1ccncc1 ZINC000834509918 1021233815 /nfs/dbraw/zinc/23/38/15/1021233815.db2.gz RBDJFYTZQDYVSK-BMRADRMJSA-N 0 0 395.503 3.874 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cnc(CC)s1 ZINC000834514405 1021236021 /nfs/dbraw/zinc/23/60/21/1021236021.db2.gz LZWZGDAXOULANE-UHFFFAOYSA-N 0 0 389.521 3.708 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H]1Cc2ccccc21 ZINC000834514057 1021236398 /nfs/dbraw/zinc/23/63/98/1021236398.db2.gz GZLIVCDSWIVRBU-FQEVSTJZSA-N 0 0 380.488 3.715 20 10 GHCDRN CCSCCCNC(=O)N(CC)Cc1cc(Br)ccc1O ZINC000800731856 1021329991 /nfs/dbraw/zinc/32/99/91/1021329991.db2.gz YCQBPJUTKQZFBO-UHFFFAOYSA-N 0 0 375.332 3.829 20 10 GHCDRN COC1CCN(c2ccc(Cn3cc(-c4ccc(N)c(Cl)c4)nn3)cc2)CC1 ZINC000900570530 1021332322 /nfs/dbraw/zinc/33/23/22/1021332322.db2.gz YLGLFHQGNSNRKJ-UHFFFAOYSA-N 0 0 397.910 3.844 20 10 GHCDRN Cc1cc(C)nc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000800902826 1021348402 /nfs/dbraw/zinc/34/84/02/1021348402.db2.gz BPPAKTTWYFAIRY-OAHLLOKOSA-N 0 0 375.419 3.699 20 10 GHCDRN CCn1ncc2c1CN(Cc1c(O)cccc1Cl)C[C@H]2COc1cccnc1 ZINC001140339462 1021447165 /nfs/dbraw/zinc/44/71/65/1021447165.db2.gz VGOKZNQVNFLQFN-HNNXBMFYSA-N 0 0 398.894 3.835 20 10 GHCDRN CC(C)Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CC(C)C ZINC000802663759 1021520295 /nfs/dbraw/zinc/52/02/95/1021520295.db2.gz QAAYFTSYDGDXDQ-UHFFFAOYSA-N 0 0 385.556 3.606 20 10 GHCDRN O=S1(=O)CCCN(Cc2cc3oc4ccccc4c3cc2O)[C@@H](C2CC2)C1 ZINC000902624673 1021526805 /nfs/dbraw/zinc/52/68/05/1021526805.db2.gz OUXLSJJZEORNIQ-GOSISDBHSA-N 0 0 385.485 3.691 20 10 GHCDRN C[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])C(=O)NCCc1ccccc1 ZINC000834895726 1021637774 /nfs/dbraw/zinc/63/77/74/1021637774.db2.gz DECSICHTZIAPOU-KBPBESRZSA-N 0 0 380.410 3.809 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1)c1cc(Br)c(F)cc1[O-] ZINC000834910922 1021674564 /nfs/dbraw/zinc/67/45/64/1021674564.db2.gz GODCTAIHSNTGNR-LYOVBCGYSA-N 0 0 398.276 3.598 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccc(Cl)cc1O)CCO2 ZINC001140463098 1021754016 /nfs/dbraw/zinc/75/40/16/1021754016.db2.gz SIQJRKADSMRMEH-UHFFFAOYSA-N 0 0 396.915 3.648 20 10 GHCDRN Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2ccc(Cl)cc2O)cs1 ZINC001140465532 1021760057 /nfs/dbraw/zinc/76/00/57/1021760057.db2.gz PJHPCBAYKPVLTM-QXAKKESOSA-N 0 0 394.924 3.759 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(c2ccc(CN3CCCC(F)(F)C3)cc2)CC1 ZINC001140473726 1021770020 /nfs/dbraw/zinc/77/00/20/1021770020.db2.gz DYMSKGWWUDJAOA-UHFFFAOYSA-N 0 0 395.494 3.975 20 10 GHCDRN Cc1ccc(C(=O)N2CCOCC2)cc1NC/C=C/c1ccc(N(C)C)cc1 ZINC000835032002 1021789742 /nfs/dbraw/zinc/78/97/42/1021789742.db2.gz WWFFUDLIZQPQNN-SNAWJCMRSA-N 0 0 379.504 3.659 20 10 GHCDRN CN(C)c1ccc(/C=C/CNc2cccc(C(=O)N3CCC[C@H](CO)C3)c2)cc1 ZINC000835032216 1021789903 /nfs/dbraw/zinc/78/99/03/1021789903.db2.gz UAJPZOGZCMAHBU-XXIDSNJLSA-N 0 0 393.531 3.722 20 10 GHCDRN Cc1c(NC/C=C/c2ccc(N(C)C)cc2)cccc1N1C(=O)N[C@@H](C)C1=O ZINC000835052361 1021818314 /nfs/dbraw/zinc/81/83/14/1021818314.db2.gz FPGSDBZUGUPNSS-MOEXGYKKSA-N 0 0 378.476 3.631 20 10 GHCDRN O=C(c1ccccc1)N1CCC2(C1)CC[NH+](Cc1c([O-])cc(F)cc1F)CC2 ZINC001140580707 1022000899 /nfs/dbraw/zinc/00/08/99/1022000899.db2.gz CZNLIMBGKUAONY-UHFFFAOYSA-N 0 0 386.442 3.799 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](C)Cc2cccc(O)c2)CCCC1 ZINC001140665966 1022213730 /nfs/dbraw/zinc/21/37/30/1022213730.db2.gz ASDUCMJZPYBREA-MRXNPFEDSA-N 0 0 392.499 3.982 20 10 GHCDRN COC(=O)c1sc2c(c1Br)CN(Cc1c(O)cccc1OC)C2 ZINC000827862321 1022353123 /nfs/dbraw/zinc/35/31/23/1022353123.db2.gz BHDDKIAUJUCBQA-UHFFFAOYSA-N 0 0 398.278 3.527 20 10 GHCDRN Brc1c(NCc2ccc(N3CCOCC3)cc2)ccc2nccnc21 ZINC000393000292 1022379239 /nfs/dbraw/zinc/37/92/39/1022379239.db2.gz LVLVHBOLODPJKY-UHFFFAOYSA-N 0 0 399.292 3.841 20 10 GHCDRN CCc1cc(CN2CCS(=O)(=O)[C@H]3CCCC[C@H]32)c(O)c(C(C)(C)C)c1 ZINC000754017749 1022426038 /nfs/dbraw/zinc/42/60/38/1022426038.db2.gz UAEPMNKCGBBRLZ-MOPGFXCFSA-N 0 0 379.566 3.794 20 10 GHCDRN CCC(CC)NC(=O)[C@@H]1CN(C(=O)/C=C/c2ccc(C)nc2)c2ccccc2O1 ZINC000754204695 1022535029 /nfs/dbraw/zinc/53/50/29/1022535029.db2.gz WQKANEIHPKTIBS-IWGBCORSSA-N 0 0 393.487 3.502 20 10 GHCDRN Cc1cc(C(=O)N2CCOC[C@H](C)C2)c(C)n1-c1cccc(Br)c1 ZINC000754239837 1022553457 /nfs/dbraw/zinc/55/34/57/1022553457.db2.gz TVNOQZHOAPTTEW-CYBMUJFWSA-N 0 0 391.309 3.965 20 10 GHCDRN COc1ccc(C2(C(=O)NCc3ccc(N(C)C)cc3C)CCC2)cc1OC ZINC000754268740 1022571870 /nfs/dbraw/zinc/57/18/70/1022571870.db2.gz HXDLZOLNNCJRGZ-UHFFFAOYSA-N 0 0 382.504 3.816 20 10 GHCDRN CCN(CC)c1ccc(CN2CCn3c(COCC4CC4)cnc3[C@@H]2C)c(O)c1 ZINC001140852211 1022701147 /nfs/dbraw/zinc/70/11/47/1022701147.db2.gz GKVKRNVXSJIKPF-KRWDZBQOSA-N 0 0 398.551 3.938 20 10 GHCDRN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000754538910 1022760819 /nfs/dbraw/zinc/76/08/19/1022760819.db2.gz FIBXZUXTVVHDIX-ZAMGYDSWSA-N 0 0 399.402 3.629 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCc2cccc(C(F)(F)F)n2)cc1 ZINC000836242756 1022760927 /nfs/dbraw/zinc/76/09/27/1022760927.db2.gz PMYVQEQXIHLEMC-UHFFFAOYSA-N 0 0 380.414 3.946 20 10 GHCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[C@@H]1CC(c2ccccc2)=NO1 ZINC000754543049 1022761089 /nfs/dbraw/zinc/76/10/89/1022761089.db2.gz LIZZBMGYRJWGTB-NRFANRHFSA-N 0 0 396.402 3.594 20 10 GHCDRN C[C@@]12CN(C(=O)NCc3ccc(N4CCSCC4)cc3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000836243367 1022763767 /nfs/dbraw/zinc/76/37/67/1022763767.db2.gz WFSNMCOKYQQHRH-MXKPZRPRSA-N 0 0 383.561 3.593 20 10 GHCDRN COc1ccc(F)cc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000754549044 1022764279 /nfs/dbraw/zinc/76/42/79/1022764279.db2.gz IGQNPALGFUVKKK-UHFFFAOYSA-N 0 0 375.355 3.862 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CC34CCOCC4)cc2Cl)C1 ZINC000836445670 1022978237 /nfs/dbraw/zinc/97/82/37/1022978237.db2.gz YJNYWDLUVDGQHR-DNVCBOLYSA-N 0 0 391.943 3.945 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@H]1CSc2ccccc21 ZINC000836504854 1023043546 /nfs/dbraw/zinc/04/35/46/1023043546.db2.gz CKQAGQGQBMSHET-SFHVURJKSA-N 0 0 397.544 3.554 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C2CC2)cc1 ZINC000755079591 1023065092 /nfs/dbraw/zinc/06/50/92/1023065092.db2.gz YEJJFOZPMVXWFU-PWRODBHTSA-N 0 0 383.536 3.774 20 10 GHCDRN C[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@H]1COc2ccccc21 ZINC000755090265 1023068216 /nfs/dbraw/zinc/06/82/16/1023068216.db2.gz CKYMEMLNXWVJCV-HRAATJIYSA-N 0 0 379.504 3.991 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3ccc4c(c3O)CCCC4)CC2)cc1 ZINC000755102011 1023075926 /nfs/dbraw/zinc/07/59/26/1023075926.db2.gz FBXLNFPTEXTSPT-UHFFFAOYSA-N 0 0 380.488 3.632 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)Cc3c(F)cccc3F)cc2F)C[C@H](C)O1 ZINC000755201877 1023123082 /nfs/dbraw/zinc/12/30/82/1023123082.db2.gz ZIHKEFNDOHHJMF-OKILXGFUSA-N 0 0 392.421 3.576 20 10 GHCDRN O=C(COCC1CCCC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000836577833 1023137683 /nfs/dbraw/zinc/13/76/83/1023137683.db2.gz LRNCHLJMONJINF-UHFFFAOYSA-N 0 0 382.451 3.580 20 10 GHCDRN C/C(=C\c1ccccc1)CN(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000755244906 1023151681 /nfs/dbraw/zinc/15/16/81/1023151681.db2.gz PYLZHWGSGJVPOK-KNTRCKAVSA-N 0 0 379.504 3.768 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)Nc3ccc([C@H]4CCOC4)cc3)CC2)cc1 ZINC000836697734 1023271008 /nfs/dbraw/zinc/27/10/08/1023271008.db2.gz NSFHUGYMWZTXPS-SFHVURJKSA-N 0 0 395.503 3.990 20 10 GHCDRN CC[N@H+](Cc1c(O)cc(OC)cc1OC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001141028401 1023275733 /nfs/dbraw/zinc/27/57/33/1023275733.db2.gz NEUGNLBHLMRGKR-UHFFFAOYSA-N 0 0 394.512 3.631 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3ccccc3OCCF)CC2)cc1F ZINC000836713925 1023292863 /nfs/dbraw/zinc/29/28/63/1023292863.db2.gz QYDFRQAXDWDCPE-UHFFFAOYSA-N 0 0 391.418 3.537 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2nn(CCCOC)cc2C)cc1 ZINC000836713835 1023292927 /nfs/dbraw/zinc/29/29/27/1023292927.db2.gz UFQBPNSAWCNDMZ-UHFFFAOYSA-N 0 0 387.528 3.738 20 10 GHCDRN CCOC(=O)C1(N(Cc2ccccc2)Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141032563 1023300258 /nfs/dbraw/zinc/30/02/58/1023300258.db2.gz GTGXLSPEXPMYOF-UHFFFAOYSA-N 0 0 385.460 3.507 20 10 GHCDRN Cc1cc(C(=O)COC(=O)CCc2ccncn2)c(C)n1-c1cc(C)cc(C)c1 ZINC000755633817 1023320153 /nfs/dbraw/zinc/32/01/53/1023320153.db2.gz QJGKNVHXLJSVIG-UHFFFAOYSA-N 0 0 391.471 3.860 20 10 GHCDRN CO[C@H]1COCC[C@@H]1CNC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000836814679 1023381262 /nfs/dbraw/zinc/38/12/62/1023381262.db2.gz JUYPGGRRBIWFGT-IERDGZPVSA-N 0 0 396.491 3.949 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@H]2CC(=O)c2ccco2)cc1 ZINC000755980598 1023461866 /nfs/dbraw/zinc/46/18/66/1023461866.db2.gz DQHJQYXAMPGTSY-HXUWFJFHSA-N 0 0 392.455 3.801 20 10 GHCDRN COc1cccc(CNC(=O)Cc2ccccc2NC(=O)OC(C)(C)C)c1O ZINC000756002609 1023473454 /nfs/dbraw/zinc/47/34/54/1023473454.db2.gz NPFIABVVCRLLSA-UHFFFAOYSA-N 0 0 386.448 3.607 20 10 GHCDRN Cc1cc(C(=O)N[C@@]2(C)CCOC2)c(C)n1-c1ccc(Br)cc1 ZINC000756211644 1023556080 /nfs/dbraw/zinc/55/60/80/1023556080.db2.gz TZDFHMZHEXQIII-SFHVURJKSA-N 0 0 377.282 3.765 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](c2ccccc2Cl)N(C)C)c1 ZINC000756350971 1023601309 /nfs/dbraw/zinc/60/13/09/1023601309.db2.gz HZVGVAZCXFCZPP-ACJLOTCBSA-N 0 0 376.884 3.786 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(N3CCC(C)CC3)nc2)c1 ZINC000756416697 1023636727 /nfs/dbraw/zinc/63/67/27/1023636727.db2.gz IGHHLHGJBNIWAX-MRXNPFEDSA-N 0 0 383.492 3.661 20 10 GHCDRN C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccccn2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756435049 1023646713 /nfs/dbraw/zinc/64/67/13/1023646713.db2.gz UFDDWCBNLBQNFO-CQSZACIVSA-N 0 0 392.415 3.799 20 10 GHCDRN C[C@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)c1cc(F)cc(F)c1[O-] ZINC000756456172 1023660621 /nfs/dbraw/zinc/66/06/21/1023660621.db2.gz CIPOXGCSDHBOCM-GWCFXTLKSA-N 0 0 391.336 3.780 20 10 GHCDRN C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cc(F)cc(F)c1[O-] ZINC000756457334 1023661602 /nfs/dbraw/zinc/66/16/02/1023661602.db2.gz GKPODCZHOFJHRJ-KZULUSFZSA-N 0 0 376.403 3.639 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)c1 ZINC000756476682 1023675461 /nfs/dbraw/zinc/67/54/61/1023675461.db2.gz UGNIQDJOMUARSK-UONOGXRCSA-N 0 0 390.430 3.634 20 10 GHCDRN C[C@H]([NH2+]C[C@H](C)N(C)C)c1cc(Br)cc(Br)c1[O-] ZINC000756535902 1023703545 /nfs/dbraw/zinc/70/35/45/1023703545.db2.gz SGYFCGMTJXJQSL-IUCAKERBSA-N 0 0 380.124 3.518 20 10 GHCDRN CSc1nnc(CCC[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])n1CC(C)C ZINC000756576986 1023718738 /nfs/dbraw/zinc/71/87/38/1023718738.db2.gz WYGONNGXDBIWIC-LBPRGKRZSA-N 0 0 384.496 3.923 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCN(c3cccc(OC)c3)C2)c1 ZINC000756588390 1023723501 /nfs/dbraw/zinc/72/35/01/1023723501.db2.gz GWYQIPJGLUDCPL-RDJZCZTQSA-N 0 0 384.476 3.507 20 10 GHCDRN CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000756656364 1023757388 /nfs/dbraw/zinc/75/73/88/1023757388.db2.gz WJRABKBVUMUQOX-QGCDCVKKSA-N 0 0 399.491 3.631 20 10 GHCDRN C[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1cc(Br)c(F)cc1[O-] ZINC000756705858 1023781951 /nfs/dbraw/zinc/78/19/51/1023781951.db2.gz WXHDDWHMDHIZPY-SNVBAGLBSA-N 0 0 382.229 3.916 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)c1 ZINC000756705535 1023782515 /nfs/dbraw/zinc/78/25/15/1023782515.db2.gz KOXIEGKWJSKKKH-PIGZYNQJSA-N 0 0 383.366 3.582 20 10 GHCDRN C[C@@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1cc(Br)c(F)cc1[O-] ZINC000756712490 1023784091 /nfs/dbraw/zinc/78/40/91/1023784091.db2.gz QXGOKTXSLOLPLB-XLKFXECMSA-N 0 0 390.199 3.956 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)Cc2cc(C)nn2-c2ccccc2)c1 ZINC000756758161 1023802868 /nfs/dbraw/zinc/80/28/68/1023802868.db2.gz FXGBLSYRSNRPPF-NVXWUHKLSA-N 0 0 393.487 3.955 20 10 GHCDRN C[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1cc(Br)c(F)cc1[O-] ZINC000756770863 1023808837 /nfs/dbraw/zinc/80/88/37/1023808837.db2.gz YAPNZWDQCGBZEL-ADLMAVQZSA-N 0 0 380.257 3.778 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756779037 1023812134 /nfs/dbraw/zinc/81/21/34/1023812134.db2.gz IMSUZPREIDHWBF-MAAWUACBSA-N 0 0 389.839 3.576 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756779164 1023812430 /nfs/dbraw/zinc/81/24/30/1023812430.db2.gz QOXOWZVZWUYOQF-ABKXIKBNSA-N 0 0 384.785 3.919 20 10 GHCDRN CCN(CC(=O)Nc1nc(-c2ccco2)cs1)c1ccc(OC)c(OC)c1 ZINC000756814490 1023824569 /nfs/dbraw/zinc/82/45/69/1023824569.db2.gz XQFUSKILWNVKMQ-UHFFFAOYSA-N 0 0 387.461 3.885 20 10 GHCDRN C[C@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1cc(Br)c(F)cc1O ZINC000756833470 1023828694 /nfs/dbraw/zinc/82/86/94/1023828694.db2.gz ZZPAMHFIDLCWIF-VIFPVBQESA-N 0 0 394.244 3.657 20 10 GHCDRN C[C@@H](Nc1cccc2c1oc(=O)n2C)c1cc(Br)c(F)cc1O ZINC000756855678 1023836167 /nfs/dbraw/zinc/83/61/67/1023836167.db2.gz LUEYMBYZTGXJES-MRVPVSSYSA-N 0 0 381.201 3.912 20 10 GHCDRN CCOCCCNC(=O)c1cccc(N[C@H](C)c2cc(F)cc(F)c2O)c1 ZINC000756882939 1023845921 /nfs/dbraw/zinc/84/59/21/1023845921.db2.gz QOMQBLNEDPOCOS-CYBMUJFWSA-N 0 0 378.419 4.000 20 10 GHCDRN Cc1cc(C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000757001622 1023904377 /nfs/dbraw/zinc/90/43/77/1023904377.db2.gz XLGBPHXZDYPCIS-FGZHOGPDSA-N 0 0 382.504 3.731 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCN(C(C)=O)c3ccccc32)cc1 ZINC000757010472 1023907254 /nfs/dbraw/zinc/90/72/54/1023907254.db2.gz LNNBAVUKJWMCBY-NRFANRHFSA-N 0 0 394.519 3.830 20 10 GHCDRN CC[C@@H](C)c1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CC1CC1 ZINC000830821530 1024167596 /nfs/dbraw/zinc/16/75/96/1024167596.db2.gz VLZRJJZJLJKMKL-QGZVFWFLSA-N 0 0 383.540 3.675 20 10 GHCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COCc2ccccn2)C1 ZINC001138126974 1024173574 /nfs/dbraw/zinc/17/35/74/1024173574.db2.gz OKNOSUNNRAGDDK-IRLDBZIGSA-N 0 0 386.467 3.514 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(Cc2cccc(F)c2O)[C@@H](C(F)(F)F)C1 ZINC001138130751 1024186096 /nfs/dbraw/zinc/18/60/96/1024186096.db2.gz HCCSPDGKWSOAGQ-CYBMUJFWSA-N 0 0 378.366 3.515 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCO[C@@H](c3nccn3C)C2)c(C)n1-c1ccc(F)cc1 ZINC000837175374 1024188312 /nfs/dbraw/zinc/18/83/12/1024188312.db2.gz BCELVONDXRXHPA-FXAWDEMLSA-N 0 0 396.466 3.617 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N(C)Cc2ccc(C)cn2)CCCC1 ZINC001156719246 1033203368 /nfs/dbraw/zinc/20/33/68/1033203368.db2.gz CXWHUWRFQGYMEZ-UHFFFAOYSA-N 0 0 377.488 3.891 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2cc(OC)c(OC)cc2F)C1 ZINC001141283020 1024394778 /nfs/dbraw/zinc/39/47/78/1024394778.db2.gz IZCZZIYBOMYEQA-UHFFFAOYSA-N 0 0 384.451 3.902 20 10 GHCDRN Cc1cc(C(=O)COC(=O)C[C@@H](C)n2cccc2)c(C)n1-c1ccc(F)cn1 ZINC000837503639 1024512619 /nfs/dbraw/zinc/51/26/19/1024512619.db2.gz ZABUGWLGXWXYHM-CQSZACIVSA-N 0 0 383.423 3.807 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)c1cn(CCc2ccccc2)nn1 ZINC000831412491 1024552488 /nfs/dbraw/zinc/55/24/88/1024552488.db2.gz JQAXIHSYJVGSNA-UHFFFAOYSA-N 0 0 378.476 3.669 20 10 GHCDRN CO[C@@H](C)CCC(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C ZINC000837626578 1024594358 /nfs/dbraw/zinc/59/43/58/1024594358.db2.gz FQMMTLPVBPOCMH-ZDUSSCGKSA-N 0 0 378.856 3.684 20 10 GHCDRN CCN1CC[C@H](NC(=O)Cc2ccc(N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000831509260 1024606778 /nfs/dbraw/zinc/60/67/78/1024606778.db2.gz COIASNNZHABIFK-AZUAARDMSA-N 0 0 375.875 3.556 20 10 GHCDRN CC(=O)CC(C)(C)CC(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000837658257 1024612997 /nfs/dbraw/zinc/61/29/97/1024612997.db2.gz IKRJUGSMJVEYKP-UHFFFAOYSA-N 0 0 388.439 3.750 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@@H]2CCCOCC2)c(C)n1-c1ccc(Cl)cn1 ZINC000837692913 1024639241 /nfs/dbraw/zinc/63/92/41/1024639241.db2.gz ZPEIWZRRWKNMAQ-OAHLLOKOSA-N 0 0 390.867 3.685 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cc2occc2s1 ZINC000837705883 1024649304 /nfs/dbraw/zinc/64/93/04/1024649304.db2.gz ASKVPMIDHOMOIF-UHFFFAOYSA-N 0 0 378.400 3.539 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(C(F)F)cc1 ZINC000837706806 1024650628 /nfs/dbraw/zinc/65/06/28/1024650628.db2.gz GGUGHGUQGDIKHL-UHFFFAOYSA-N 0 0 382.357 3.669 20 10 GHCDRN CCC1(c2ccccc2)CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000837713189 1024656580 /nfs/dbraw/zinc/65/65/80/1024656580.db2.gz HHUUMEVWRXOJRC-UHFFFAOYSA-N 0 0 397.494 3.536 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N(C)C3CC(C)(C)C3)cc2F)C[C@H](C)O1 ZINC000837714112 1024658291 /nfs/dbraw/zinc/65/82/91/1024658291.db2.gz MARRWVUUCXUTNS-GASCZTMLSA-N 0 0 377.504 3.769 20 10 GHCDRN O=S(=O)([O-])C[C@H](C[n+]1ccccc1)Oc1ccc(/N=N/c2ccccc2)cc1 ZINC001229006794 1033228126 /nfs/dbraw/zinc/22/81/26/1033228126.db2.gz JEZAAHPSICGODQ-VSRNGQBXSA-O 0 0 398.464 3.725 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CCC[C@H](Oc2ncccn2)C1 ZINC001141374256 1024767577 /nfs/dbraw/zinc/76/75/77/1024767577.db2.gz DBKPHTWIWJFVDO-ZDUSSCGKSA-N 0 0 398.688 3.642 20 10 GHCDRN CCOC(=O)[C@@H](CC(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1)C(C)=O ZINC000831707086 1024767642 /nfs/dbraw/zinc/76/76/42/1024767642.db2.gz VNRAWBWHTODYFZ-UZLBHIALSA-N 0 0 397.471 3.640 20 10 GHCDRN CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC001138438750 1024849443 /nfs/dbraw/zinc/84/94/43/1024849443.db2.gz YTBIBDQQXJUAES-HNNXBMFYSA-N 0 0 379.460 3.796 20 10 GHCDRN COc1ccc(N2CCN(Cc3cccnc3NC(=O)C(C)(C)C)CC2)c(C)c1 ZINC001138545519 1024990940 /nfs/dbraw/zinc/99/09/40/1024990940.db2.gz PGSGRELYMHSCTO-UHFFFAOYSA-N 0 0 396.535 3.705 20 10 GHCDRN Cc1cc(C(=O)N2CCN(CC(C)C)C(=O)[C@@H]2C)c(C)n1-c1ccccc1C ZINC001138564792 1025032589 /nfs/dbraw/zinc/03/25/89/1025032589.db2.gz VMKAAICWJLBOEX-IBGZPJMESA-N 0 0 381.520 3.731 20 10 GHCDRN CCn1nc(C)c(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c1C ZINC001138647998 1025159965 /nfs/dbraw/zinc/15/99/65/1025159965.db2.gz HTIRXNOKFOEBGT-UHFFFAOYSA-N 0 0 382.430 3.741 20 10 GHCDRN O=C(NCCCSc1nccs1)NCc1ccnc(C(F)(F)F)c1 ZINC000838515023 1025185988 /nfs/dbraw/zinc/18/59/88/1025185988.db2.gz UELAIPNDKGSKGP-UHFFFAOYSA-N 0 0 376.429 3.539 20 10 GHCDRN COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138678390 1025203548 /nfs/dbraw/zinc/20/35/48/1025203548.db2.gz BUOBXQZGVBFXKD-SFHVURJKSA-N 0 0 397.357 3.675 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H](O)CC3)cc2Cl)C1 ZINC000838578165 1025218666 /nfs/dbraw/zinc/21/86/66/1025218666.db2.gz HZTZJBQSRGUPBX-NVXWUHKLSA-N 0 0 379.932 3.633 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)N3CC[C@H](CCCO)C3)cc2Cl)C1 ZINC000838578879 1025219189 /nfs/dbraw/zinc/21/91/89/1025219189.db2.gz OHEJIQLOTHUWNR-IRXDYDNUSA-N 0 0 393.959 3.880 20 10 GHCDRN C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1ccc(N2CCCOC2=O)cc1 ZINC000838613180 1025236106 /nfs/dbraw/zinc/23/61/06/1025236106.db2.gz UWKUQFWOLFEGMD-OAHLLOKOSA-N 0 0 383.448 3.642 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCCC1(COC)CCC1 ZINC000838616818 1025239747 /nfs/dbraw/zinc/23/97/47/1025239747.db2.gz FCADQJIFZXUSIH-UHFFFAOYSA-N 0 0 399.329 3.893 20 10 GHCDRN C[C@@H](C1CCCCC1)N(C)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838739347 1025338302 /nfs/dbraw/zinc/33/83/02/1025338302.db2.gz KLOSGKMWRANMRZ-HNNXBMFYSA-N 0 0 395.494 3.912 20 10 GHCDRN CN(CC1CCCCC1)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838746060 1025341990 /nfs/dbraw/zinc/34/19/90/1025341990.db2.gz CTEZFXLEQYPKKN-UHFFFAOYSA-N 0 0 381.467 3.523 20 10 GHCDRN C[C@H](CCCc1cccnc1)NC(=O)NCc1cc(Br)ccc1O ZINC000838749954 1025345247 /nfs/dbraw/zinc/34/52/47/1025345247.db2.gz UGVSOHLIHLEHLV-CYBMUJFWSA-N 0 0 392.297 3.760 20 10 GHCDRN C[C@@H]1[C@H](C)[S@@](=O)CCN1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838839786 1025390093 /nfs/dbraw/zinc/39/00/93/1025390093.db2.gz FRKCOBYLKNBODU-USGALAMMSA-N 0 0 399.398 3.781 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001141538920 1025433313 /nfs/dbraw/zinc/43/33/13/1025433313.db2.gz YDBXKVASEDQLKP-UHFFFAOYSA-N 0 0 391.431 3.515 20 10 GHCDRN Cc1cc(F)c(CNCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(Cl)c1 ZINC000838986789 1025502351 /nfs/dbraw/zinc/50/23/51/1025502351.db2.gz LUXYVPNKCMQGTD-MRXNPFEDSA-N 0 0 389.902 3.779 20 10 GHCDRN Cc1noc([C@@H](C)NCc2ccc(N3CCCCC3)c(Br)c2)n1 ZINC000839040294 1025537168 /nfs/dbraw/zinc/53/71/68/1025537168.db2.gz MCJKIJLFVGFQJT-GFCCVEGCSA-N 0 0 379.302 3.982 20 10 GHCDRN NC(=O)Nc1ccc(CNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1 ZINC001162068428 1025582361 /nfs/dbraw/zinc/58/23/61/1025582361.db2.gz RYQGZFHADHFHRX-UHFFFAOYSA-N 0 0 390.399 3.929 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3ccc(OC)c(SC)c3)CC2)cc1 ZINC000839159365 1025667481 /nfs/dbraw/zinc/66/74/81/1025667481.db2.gz DCAUFNXNCDTAAF-UHFFFAOYSA-N 0 0 387.505 3.780 20 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CCCN(C(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1)[C@@H](C)C(=O)OCC ZINC001139408906 1026279996 /nfs/dbraw/zinc/27/99/96/1026279996.db2.gz JTOBNJJZBYCIFY-KRWDZBQOSA-N 0 0 384.476 3.710 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H](N3CCCC3=O)CC2)cc1 ZINC000839897377 1026336438 /nfs/dbraw/zinc/33/64/38/1026336438.db2.gz VXZLTOQBSZLVEA-HXUWFJFHSA-N 0 0 379.504 3.711 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000839918568 1026345878 /nfs/dbraw/zinc/34/58/78/1026345878.db2.gz BHNSPJIQIPRVHV-CQSZACIVSA-N 0 0 382.430 3.571 20 10 GHCDRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000839920454 1026347575 /nfs/dbraw/zinc/34/75/75/1026347575.db2.gz AIXQQGAUQJHMGI-XUEUYAKLSA-N 0 0 396.531 3.929 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc2c(C)cc(=O)[nH]c2c1 ZINC000839921913 1026349991 /nfs/dbraw/zinc/34/99/91/1026349991.db2.gz OJJVARLPBDXJNF-MRXNPFEDSA-N 0 0 377.488 3.984 20 10 GHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(C3CC3)[nH]c2=O)cc1 ZINC001163910234 1026358999 /nfs/dbraw/zinc/35/89/99/1026358999.db2.gz JMWJUYLKLCMZLM-UHFFFAOYSA-N 0 0 393.409 3.935 20 10 GHCDRN CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001164255395 1026465796 /nfs/dbraw/zinc/46/57/96/1026465796.db2.gz HPBYWPJAJWICHD-MRXNPFEDSA-N 0 0 380.383 3.573 20 10 GHCDRN O=C1OC[C@@H](c2ccccc2)N1C1CC[NH+](Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139683821 1026538439 /nfs/dbraw/zinc/53/84/39/1026538439.db2.gz FFQIAEXPCZZBRI-IBGZPJMESA-N 0 0 388.414 3.828 20 10 GHCDRN O=C(c1ccc(Cl)cc1)N1CCCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139688063 1026538805 /nfs/dbraw/zinc/53/88/05/1026538805.db2.gz YBKCXQSBSHOQJL-UHFFFAOYSA-N 0 0 380.822 3.672 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1cc(Cl)ccc1O)c1ccccc1 ZINC001165499235 1026747798 /nfs/dbraw/zinc/74/77/98/1026747798.db2.gz XRXIVGOSHFTNGV-QGZVFWFLSA-N 0 0 390.867 3.928 20 10 GHCDRN Cc1cc(CC(=O)N2CCN(C(=O)CC(C)(C)C)CC2)c(C)n1-c1ccccc1 ZINC001165697600 1026801509 /nfs/dbraw/zinc/80/15/09/1026801509.db2.gz OKZKJBWLNDUXEI-UHFFFAOYSA-N 0 0 395.547 3.744 20 10 GHCDRN COC(=O)c1cc2c(nc1-c1ccoc1)CC[N@H+](Cc1cc(F)ccc1O)CC2 ZINC001140054036 1026833710 /nfs/dbraw/zinc/83/37/10/1026833710.db2.gz ICCIIBVPLWXIJW-UHFFFAOYSA-N 0 0 396.418 3.574 20 10 GHCDRN Oc1cccc(Br)c1CN1CCN(Cc2ccccc2F)CC1 ZINC001140100998 1026879067 /nfs/dbraw/zinc/87/90/67/1026879067.db2.gz IJARNLODDVTJOZ-UHFFFAOYSA-N 0 0 379.273 3.612 20 10 GHCDRN CN(Cc1cncc(Br)c1)Cc1c(O)cccc1Br ZINC001140100538 1026879467 /nfs/dbraw/zinc/87/94/67/1026879467.db2.gz STHDSAKIVKSXCH-UHFFFAOYSA-N 0 0 386.087 3.944 20 10 GHCDRN Oc1cccc(Br)c1CN1CC[C@H](N2CCCCC2)C(F)(F)C1 ZINC001140102234 1026882688 /nfs/dbraw/zinc/88/26/88/1026882688.db2.gz MRLUVNDFONJFLQ-INIZCTEOSA-N 0 0 389.284 3.850 20 10 GHCDRN CCc1nnc(C2CCN(C(=O)Cc3cc(C)n(-c4ccccc4)c3C)CC2)[nH]1 ZINC000834349025 1026944811 /nfs/dbraw/zinc/94/48/11/1026944811.db2.gz YJXASEACHJQFAD-UHFFFAOYSA-N 0 0 391.519 3.723 20 10 GHCDRN Cc1cc(CC(=O)N2CCSC[C@H]2c2cnn(C)c2)c(C)n1-c1ccccc1 ZINC000834355025 1026948562 /nfs/dbraw/zinc/94/85/62/1026948562.db2.gz AQFGDTXWHRTDAH-NRFANRHFSA-N 0 0 394.544 3.687 20 10 GHCDRN COc1cccc(-c2ncc(CN3CCCc4cc(O)c(O)cc4C3)cn2)c1 ZINC001140193702 1026966467 /nfs/dbraw/zinc/96/64/67/1026966467.db2.gz BWFQZIMYYHAUIJ-UHFFFAOYSA-N 0 0 377.444 3.512 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2cc(-c3ccncc3)nc(C)n2)C1 ZINC001166818968 1027095048 /nfs/dbraw/zinc/09/50/48/1027095048.db2.gz ZJRBKIIEMOIIRU-UHFFFAOYSA-N 0 0 385.471 3.910 20 10 GHCDRN Cc1cc(C(=O)N2CCc3cnc(N)nc3C2)c(C)n1-c1cccc(C(C)C)c1 ZINC001166950122 1027162491 /nfs/dbraw/zinc/16/24/91/1027162491.db2.gz MFOCSWBKVWGKAM-UHFFFAOYSA-N 0 0 389.503 3.788 20 10 GHCDRN O=C(Cc1ccc(O)c(O)c1)N[C@@H](COc1ccccc1F)c1ccccc1 ZINC001141770500 1027194020 /nfs/dbraw/zinc/19/40/20/1027194020.db2.gz RWTZGLDRCQQKFP-SFHVURJKSA-N 0 0 381.403 3.716 20 10 GHCDRN Cc1cccc(CO[C@H](C)C(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC001141803428 1027329196 /nfs/dbraw/zinc/32/91/96/1027329196.db2.gz IXTFFYWREGVBTI-GOSISDBHSA-N 0 0 384.545 3.770 20 10 GHCDRN CC1(C)Cc2ccc(C(=O)NCc3ccc(N4CCSCC4)cc3)cc2O1 ZINC001141803512 1027330086 /nfs/dbraw/zinc/33/00/86/1027330086.db2.gz KIQMTFWAOIJIEQ-UHFFFAOYSA-N 0 0 382.529 3.883 20 10 GHCDRN Nc1ccc(N(c2ccc(N)cc2)c2ccc(CN3CCOCC3)nc2)cc1 ZINC001203477875 1027368958 /nfs/dbraw/zinc/36/89/58/1027368958.db2.gz HZIJIKVIVNIMAK-UHFFFAOYSA-N 0 0 375.476 3.548 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2cncc(F)c2)C1 ZINC001276411315 1027371530 /nfs/dbraw/zinc/37/15/30/1027371530.db2.gz YRQGIMAKMZYLNU-CNZFZVQHSA-N 0 0 397.450 3.717 20 10 GHCDRN Cc1cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)nc(-c2cccs2)n1 ZINC000840245979 1027375883 /nfs/dbraw/zinc/37/58/83/1027375883.db2.gz GECXFTPDYZQLCN-UHFFFAOYSA-N 0 0 398.507 3.648 20 10 GHCDRN C[C@H]1C[N@H+](Cc2cc(Br)cc(Br)c2[O-])CC[C@@]1(C)O ZINC001203565311 1027436263 /nfs/dbraw/zinc/43/62/63/1027436263.db2.gz ZXZXHGKYURLWEB-LKFCYVNXSA-N 0 0 393.119 3.510 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000840319211 1027446446 /nfs/dbraw/zinc/44/64/46/1027446446.db2.gz DHSLZQDKDIUTHK-MRXNPFEDSA-N 0 0 392.503 3.745 20 10 GHCDRN O=C(NC1CCC1)[C@H]1CC12CC[NH+](Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC001203579721 1027447241 /nfs/dbraw/zinc/44/72/41/1027447241.db2.gz RWWNXELJAHMJLS-OAHLLOKOSA-N 0 0 383.319 3.970 20 10 GHCDRN NC(=O)c1ccc(OC2CC[NH+](Cc3cc(Cl)cc(Cl)c3[O-])CC2)cc1 ZINC001203582018 1027451023 /nfs/dbraw/zinc/45/10/23/1027451023.db2.gz MQBCQXMDIDMEAY-UHFFFAOYSA-N 0 0 395.286 3.841 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@H](C[C@H](C)O)c1ccccc1 ZINC000840324912 1027453640 /nfs/dbraw/zinc/45/36/40/1027453640.db2.gz IPZCTOAKNSZLPE-IPJJNNNSSA-N 0 0 397.563 3.846 20 10 GHCDRN COc1ccnc(OC2CC[NH+](Cc3cc(Cl)cc(Cl)c3[O-])CC2)n1 ZINC001203586943 1027454785 /nfs/dbraw/zinc/45/47/85/1027454785.db2.gz WZSZOTKBYZNWEH-UHFFFAOYSA-N 0 0 384.263 3.541 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000840356269 1027476380 /nfs/dbraw/zinc/47/63/80/1027476380.db2.gz GHCFPZDPBHIRPG-XLIONFOSSA-N 0 0 397.567 3.626 20 10 GHCDRN COc1ccc(CN2Cc3c(cnn3CC3CC3)[C@@H](COCC3CC3)C2)c(O)c1 ZINC001203622767 1027484556 /nfs/dbraw/zinc/48/45/56/1027484556.db2.gz BLPWGWQDBMSMSH-LJQANCHMSA-N 0 0 397.519 3.533 20 10 GHCDRN CCCc1cc(=O)n2nc(N[C@@H](C)Cc3ccc(N(C)C)cc3C)sc2n1 ZINC000840383968 1027502079 /nfs/dbraw/zinc/50/20/79/1027502079.db2.gz CFBCVQJZGJMEHH-AWEZNQCLSA-N 0 0 385.537 3.521 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000840478729 1027563449 /nfs/dbraw/zinc/56/34/49/1027563449.db2.gz IFIOKIDVBOTGLN-HOTGVXAUSA-N 0 0 385.508 3.767 20 10 GHCDRN CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2CN1Cc1ccc(O)c(O)c1 ZINC001203884001 1027678604 /nfs/dbraw/zinc/67/86/04/1027678604.db2.gz PBJLTJHYBKQRKC-SFHVURJKSA-N 0 0 384.476 3.549 20 10 GHCDRN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000840997755 1028029966 /nfs/dbraw/zinc/02/99/66/1028029966.db2.gz JSAKPMISJJVCMH-UWVAXJGDSA-N 0 0 387.480 3.803 20 10 GHCDRN COc1ccc(N2CCC([NH2+][C@H](CCC(=O)[O-])Cc3ccccc3)CC2)cc1 ZINC000840998434 1028031726 /nfs/dbraw/zinc/03/17/26/1028031726.db2.gz GPIJPAIFDCKPHI-HXUWFJFHSA-N 0 0 382.504 3.730 20 10 GHCDRN CCOC(=O)COc1c(Br)cc(C)cc1CNc1ccc(N)cc1 ZINC000841039911 1028061380 /nfs/dbraw/zinc/06/13/80/1028061380.db2.gz DSAWYZGAGBUTKR-UHFFFAOYSA-N 0 0 393.281 3.894 20 10 GHCDRN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)NCCc1ccc(N)cc1 ZINC000841086450 1028110954 /nfs/dbraw/zinc/11/09/54/1028110954.db2.gz NZYATQHVRCXUAY-KRWDZBQOSA-N 0 0 394.519 3.956 20 10 GHCDRN C[C@@H](C(=O)OC(C)(C)C)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000841107310 1028147296 /nfs/dbraw/zinc/14/72/96/1028147296.db2.gz FWCDSKYRKNOGIV-CYBMUJFWSA-N 0 0 388.430 3.621 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccc(F)c(Br)c2)cc1 ZINC001461338687 1069507139 /nfs/dbraw/zinc/50/71/39/1069507139.db2.gz SFRCNRDRLVLCQV-UHFFFAOYSA-N 0 0 395.272 3.805 20 10 GHCDRN CC(C)Oc1ccc(S(=O)(=O)NCc2c(O)cccc2F)c2ccccc12 ZINC001213797412 1028382030 /nfs/dbraw/zinc/38/20/30/1028382030.db2.gz BBEYNBSQXHJVMS-UHFFFAOYSA-N 0 0 389.448 3.950 20 10 GHCDRN Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)Nc1ccc(N)cc1 ZINC000841296555 1028387714 /nfs/dbraw/zinc/38/77/14/1028387714.db2.gz VFGPIOMEJMMOSE-HXUWFJFHSA-N 0 0 391.475 3.677 20 10 GHCDRN CC[C@H](NC(=O)Nc1ccc(N)cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000841301332 1028395261 /nfs/dbraw/zinc/39/52/61/1028395261.db2.gz LKOSZYCWKNDOQD-IBGZPJMESA-N 0 0 396.491 3.543 20 10 GHCDRN CCOC(=O)C[C@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)C(F)(F)F ZINC001461393471 1069530739 /nfs/dbraw/zinc/53/07/39/1069530739.db2.gz ZBSZSCQMVHIRCV-INIZCTEOSA-N 0 0 382.382 3.708 20 10 GHCDRN COC1(C(F)(F)F)CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000841447277 1028645380 /nfs/dbraw/zinc/64/53/80/1028645380.db2.gz VNXMAHWXNWNAFM-UHFFFAOYSA-N 0 0 381.398 3.673 20 10 GHCDRN Cc1cc(C(=O)NCC(C)(C)C2(O)CCOCC2)c(C)n1-c1ccccc1C ZINC000841458763 1028664012 /nfs/dbraw/zinc/66/40/12/1028664012.db2.gz LVBFHWCOBDJRJA-UHFFFAOYSA-N 0 0 384.520 3.700 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1ccc([S@](C)=O)c(F)c1 ZINC000841653908 1028803200 /nfs/dbraw/zinc/80/32/00/1028803200.db2.gz KLWIMUQUVCRTNF-PWFNWSNSSA-N 0 0 391.512 3.690 20 10 GHCDRN COC(=O)c1cccc(Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)c1F ZINC001214580942 1028804809 /nfs/dbraw/zinc/80/48/09/1028804809.db2.gz IVLKEGUGTJEPNB-UHFFFAOYSA-N 0 0 391.354 3.837 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC001461436959 1069549886 /nfs/dbraw/zinc/54/98/86/1069549886.db2.gz SDLLIZVXKZCDSP-YJBOKZPZSA-N 0 0 398.247 3.689 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000841707567 1028862946 /nfs/dbraw/zinc/86/29/46/1028862946.db2.gz WMLUAFRFUZRHJN-INIZCTEOSA-N 0 0 380.492 3.550 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1cccc([C@@H]2CCC(=O)N2)c1 ZINC000841762067 1028918971 /nfs/dbraw/zinc/91/89/71/1028918971.db2.gz JUXDEULSRZUQAB-IBGZPJMESA-N 0 0 379.460 3.544 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3ccc(F)c(F)c3C)CC2)cc1F ZINC000841792976 1028939792 /nfs/dbraw/zinc/93/97/92/1028939792.db2.gz DVMRWTMLSBVDDW-UHFFFAOYSA-N 0 0 379.382 3.775 20 10 GHCDRN CCOC(=O)c1snnc1-c1nc(-c2ccc(C)c(Br)c2)no1 ZINC001214859368 1028941775 /nfs/dbraw/zinc/94/17/75/1028941775.db2.gz DFTGVRLDRFYRMV-UHFFFAOYSA-N 0 0 395.238 3.503 20 10 GHCDRN CCOC(=O)c1snnc1-c1nc(-c2cc(C)cc(C(F)(F)F)c2)no1 ZINC001214859489 1028941811 /nfs/dbraw/zinc/94/18/11/1028941811.db2.gz IITXJSISHHCYKI-UHFFFAOYSA-N 0 0 384.339 3.759 20 10 GHCDRN O=C([O-])C[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cccs1 ZINC000841800546 1028945987 /nfs/dbraw/zinc/94/59/87/1028945987.db2.gz GOYZDFAWUJKBEP-HNNXBMFYSA-N 0 0 389.477 3.952 20 10 GHCDRN NC(=O)c1c(F)cc(Nc2ccc(OCCOc3ccc(N)cc3)cc2)cc1F ZINC001214922631 1028967699 /nfs/dbraw/zinc/96/76/99/1028967699.db2.gz NQEPLMCAWJMGMF-UHFFFAOYSA-N 0 0 399.397 3.847 20 10 GHCDRN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)NCCc1ccc(N)cc1 ZINC000841859706 1028978571 /nfs/dbraw/zinc/97/85/71/1028978571.db2.gz IFTHZSJHQUGHOQ-GFCCVEGCSA-N 0 0 394.288 3.643 20 10 GHCDRN 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20 10 GHCDRN Cc1cc(C(=O)N2CCN(C)C(=O)C2(C)C)c(C)n1-c1ccc(C(C)C)cc1 ZINC001294644606 1044743305 /nfs/dbraw/zinc/74/33/05/1044743305.db2.gz BGWHQPSEOBKCBU-UHFFFAOYSA-N 0 0 381.520 3.910 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccn2cc(C(F)(F)F)nc2c1 ZINC001294869829 1044821783 /nfs/dbraw/zinc/82/17/83/1044821783.db2.gz NMLYHYPAWGIPCB-UHFFFAOYSA-N 0 0 389.377 3.868 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(Br)cc1O ZINC001294870276 1044824738 /nfs/dbraw/zinc/82/47/38/1044824738.db2.gz TXOLNYFXJGYJCJ-UHFFFAOYSA-N 0 0 376.250 3.669 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)[C@@]3(C)CCc4ccccc4C3)CC2)cc1 ZINC001295273049 1044970212 /nfs/dbraw/zinc/97/02/12/1044970212.db2.gz UCAQAQYGOWWIFN-DEOSSOPVSA-N 0 0 378.516 3.929 20 10 GHCDRN CCN(CC)c1ccc(Cn2c(C)nnc2N2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC001295411132 1045003064 /nfs/dbraw/zinc/00/30/64/1045003064.db2.gz PUKKKVPBUNQBOV-SFTDATJTSA-N 0 0 383.540 3.629 20 10 GHCDRN O=S(=O)(Nc1ccc(OC(F)(F)F)cc1Cl)c1cccc2nonc21 ZINC001260440911 1045496254 /nfs/dbraw/zinc/49/62/54/1045496254.db2.gz YKQPLVBRYLMKPS-UHFFFAOYSA-N 0 0 393.730 3.576 20 10 GHCDRN Cc1cccc(CNS(=O)(=O)c2cc(Br)c(Cl)s2)c1O ZINC001260493835 1045515944 /nfs/dbraw/zinc/51/59/44/1045515944.db2.gz BWKWOSJLTXDKIF-UHFFFAOYSA-N 0 0 396.715 3.657 20 10 GHCDRN C[C@H](NS(=O)(=O)c1cccc(OC(F)(F)F)c1)c1ccc(N(C)C)cc1 ZINC001260502193 1045520718 /nfs/dbraw/zinc/52/07/18/1045520718.db2.gz QRABIOWVLCAWAL-LBPRGKRZSA-N 0 0 388.411 3.691 20 10 GHCDRN CN(C)c1ccc(Cn2c(C3CC3)nnc2N(C)CC2CC(F)C2)cc1F ZINC001298055596 1045688103 /nfs/dbraw/zinc/68/81/03/1045688103.db2.gz GDRRXCAFWWGUOS-UHFFFAOYSA-N 0 0 375.467 3.593 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](C(C)C)C2(CO)CCC2)c1 ZINC001298519915 1045849693 /nfs/dbraw/zinc/84/96/93/1045849693.db2.gz WDGLNHQRIVANIU-OAQYLSRUSA-N 0 0 382.504 3.824 20 10 GHCDRN Cc1cc(C(=O)NC[C@@H](O)Cc2cccc(F)c2)c(C)n1-c1cccc(C)c1 ZINC001298575581 1045878665 /nfs/dbraw/zinc/87/86/65/1045878665.db2.gz ZKTYLXXNPYOYCX-NRFANRHFSA-N 0 0 380.463 3.875 20 10 GHCDRN O=S(=O)(Nc1c(F)cc(F)cc1Cl)c1ccc(Cl)c2nonc21 ZINC001261073486 1045889007 /nfs/dbraw/zinc/88/90/07/1045889007.db2.gz WXFOEMQKPZLETM-UHFFFAOYSA-N 0 0 380.159 3.609 20 10 GHCDRN CNc1cc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)cc(Cl)n1 ZINC001298829972 1045957859 /nfs/dbraw/zinc/95/78/59/1045957859.db2.gz MXDBDIGKAGAWEO-UHFFFAOYSA-N 0 0 378.823 3.739 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCOC[C@@H]2C2CCC2)ccc1C ZINC001299834145 1046061317 /nfs/dbraw/zinc/06/13/17/1046061317.db2.gz OMUFUMAXDDEVFW-JOCHJYFZSA-N 0 0 380.488 3.856 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H]1CCC[C@H](F)C1 ZINC001261738321 1046070052 /nfs/dbraw/zinc/07/00/52/1046070052.db2.gz NTEDEWACVSLQKR-CVEARBPZSA-N 0 0 378.488 3.903 20 10 GHCDRN C[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1C(=O)OC(C)(C)C ZINC001299875203 1046077441 /nfs/dbraw/zinc/07/74/41/1046077441.db2.gz OJEXCPBVPGABDG-WCQYABFASA-N 0 0 391.489 3.752 20 10 GHCDRN COc1ccc(N2CCCN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)cc1 ZINC000746661629 1046148598 /nfs/dbraw/zinc/14/85/98/1046148598.db2.gz LJOKPTDLFCZAQV-UHFFFAOYSA-N 0 0 375.856 3.969 20 10 GHCDRN COCCO[C@@H](C)c1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1C1CC1 ZINC001301975285 1046773495 /nfs/dbraw/zinc/77/34/95/1046773495.db2.gz IHKDQSFWWCRWNY-KRWDZBQOSA-N 0 0 399.539 3.574 20 10 GHCDRN COC(=O)CCSc1cc(Cl)ccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001302283484 1046900640 /nfs/dbraw/zinc/90/06/40/1046900640.db2.gz XNRHNZLUIBBFMO-UHFFFAOYSA-N 0 0 395.864 3.588 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC001302424111 1046938542 /nfs/dbraw/zinc/93/85/42/1046938542.db2.gz IFLOYFKFIBRVMN-QFIPXVFZSA-N 0 0 393.443 3.640 20 10 GHCDRN C[C@H](NC(=O)[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1)c1ccccc1O ZINC001302538610 1046968613 /nfs/dbraw/zinc/96/86/13/1046968613.db2.gz WKJJFDUWFKMGLL-AOMKIAJQSA-N 0 0 382.460 3.618 20 10 GHCDRN CC(C)c1nnc(-c2nnc(N(C)Cc3ccccc3O)n2CC2CC2)s1 ZINC001263683928 1047045825 /nfs/dbraw/zinc/04/58/25/1047045825.db2.gz IYGUSPXHMPQXOD-UHFFFAOYSA-N 0 0 384.509 3.672 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NC(C)(C)[C@@H](O)C(F)(F)F)ccc1C ZINC001302811777 1047119285 /nfs/dbraw/zinc/11/92/85/1047119285.db2.gz OOOOZBRZQFTOCA-GOSISDBHSA-N 0 0 396.409 3.647 20 10 GHCDRN CC(C)[C@@H](C(=O)NCc1ccc(N(C)C)cc1)[C@H](C)NC(=O)OC(C)(C)C ZINC001264261731 1047285971 /nfs/dbraw/zinc/28/59/71/1047285971.db2.gz FICVVMPGDHTKHB-MAUKXSAKSA-N 0 0 377.529 3.554 20 10 GHCDRN CC(C)Oc1ccc(Cn2c(C(C)C)nnc2N(C)Cc2ccccc2O)cn1 ZINC001303510023 1047408786 /nfs/dbraw/zinc/40/87/86/1047408786.db2.gz OTHAGMKIDIDRNM-UHFFFAOYSA-N 0 0 395.507 3.974 20 10 GHCDRN CC1(C)[C@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@H]1c1ccccc1 ZINC001264687927 1047409107 /nfs/dbraw/zinc/40/91/07/1047409107.db2.gz PQMYFUAKHXZSQP-RTWAWAEBSA-N 0 0 382.479 3.718 20 10 GHCDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3ccccc3O)cc2[N+](=O)[O-])C1 ZINC000748352592 1047418012 /nfs/dbraw/zinc/41/80/12/1047418012.db2.gz DVHQUBIMRMQAOE-HUUCEWRRSA-N 0 0 383.448 3.713 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)cc1 ZINC001265248012 1047581140 /nfs/dbraw/zinc/58/11/40/1047581140.db2.gz SPDFCBVPMATBLS-QFIPXVFZSA-N 0 0 387.483 3.938 20 10 GHCDRN O=C(NCc1c(O)ccc2ccccc21)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC001304090004 1047584496 /nfs/dbraw/zinc/58/44/96/1047584496.db2.gz UTUABYGDEBSBEG-RTBURBONSA-N 0 0 380.488 3.590 20 10 GHCDRN Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1Cc1ccc(N(C)C)cc1C ZINC001304238065 1047622821 /nfs/dbraw/zinc/62/28/21/1047622821.db2.gz JVRMIGULIJYNII-FQEVSTJZSA-N 0 0 385.556 3.793 20 10 GHCDRN CCc1ccc([C@H]2COCCN2c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])o1 ZINC000749282596 1047694024 /nfs/dbraw/zinc/69/40/24/1047694024.db2.gz XRONQQMFTDPCGI-QKYXPGDISA-N 0 0 386.404 3.514 20 10 GHCDRN O=C(Cc1ccsc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(Cl)c1[O-] ZINC001279442694 1047809491 /nfs/dbraw/zinc/80/94/91/1047809491.db2.gz STAWSOLFEXJTNW-ALOPSCKCSA-N 0 0 390.936 3.961 20 10 GHCDRN CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2cccc(Cl)c2O)nc1 ZINC001305084421 1047887275 /nfs/dbraw/zinc/88/72/75/1047887275.db2.gz IYRZKQFRVBGJHD-UHFFFAOYSA-N 0 0 377.828 3.718 20 10 GHCDRN [O-]c1cc(Cl)c(Cl)cc1C[NH+]1CCC2(CN(Cc3cn[nH]c3)C2)CC1 ZINC001279663725 1047903877 /nfs/dbraw/zinc/90/38/77/1047903877.db2.gz CBFXFRPESHLOQZ-UHFFFAOYSA-N 0 0 381.307 3.520 20 10 GHCDRN Cc1ncsc1CN1C[C@H]2C[C@@H](C1)N2Cc1cc(C(F)(F)F)ccc1O ZINC001279686230 1047914756 /nfs/dbraw/zinc/91/47/56/1047914756.db2.gz QEHFCRTVFDQJFW-GASCZTMLSA-N 0 0 383.439 3.635 20 10 GHCDRN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000750133690 1047958579 /nfs/dbraw/zinc/95/85/79/1047958579.db2.gz ORECDRJRFIZPRC-RKPUJPDHSA-N 0 0 378.563 3.965 20 10 GHCDRN CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CC12CCOCC2 ZINC001305382875 1048004530 /nfs/dbraw/zinc/00/45/30/1048004530.db2.gz KXBDHMQNINDCKF-WMZOPIPTSA-N 0 0 384.524 3.950 20 10 GHCDRN Cc1cc(CC(=O)Nc2nc(-c3cnn(C)c3)ns2)c(C)n1-c1ccccc1 ZINC001463291930 1070967238 /nfs/dbraw/zinc/96/72/38/1070967238.db2.gz ZXUJHHQEEVNPFM-UHFFFAOYSA-N 0 0 392.488 3.527 20 10 GHCDRN CC[C@@H](C)c1nnc(N2CCC[C@@H](C)C2)n1Cc1ccc(N2CCOCC2)cc1 ZINC001305481497 1048081042 /nfs/dbraw/zinc/08/10/42/1048081042.db2.gz OTGZBJHIIASRIA-RTBURBONSA-N 0 0 397.567 3.913 20 10 GHCDRN CC[C@@H]1[C@H](C)CCN1c1nnc([C@@H]2CCOC2)n1Cc1ccc(N(C)C)cc1C ZINC001306273019 1048535266 /nfs/dbraw/zinc/53/52/66/1048535266.db2.gz INTNKKDYLPOYMJ-OZOXKJRCSA-N 0 0 397.567 3.830 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3cc(C(F)F)ccc3F)CC2)c(OC)c1 ZINC001287484017 1048789758 /nfs/dbraw/zinc/78/97/58/1048789758.db2.gz BVDTYDQNUVWYHD-UHFFFAOYSA-N 0 0 394.393 3.743 20 10 GHCDRN CC(C)Cc1nnc(N2CCSC[C@@H]2C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001287507396 1048799648 /nfs/dbraw/zinc/79/96/48/1048799648.db2.gz SNADFCVGVLSNKD-HNNXBMFYSA-N 0 0 391.560 3.672 20 10 GHCDRN COc1c(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)cccc1[N+](=O)[O-] ZINC001287660237 1048866417 /nfs/dbraw/zinc/86/64/17/1048866417.db2.gz CWQXAGNNIYQZGY-UHFFFAOYSA-N 0 0 379.416 3.941 20 10 GHCDRN Cc1cc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccccn1 ZINC000751644397 1048944338 /nfs/dbraw/zinc/94/43/38/1048944338.db2.gz IZSVYBQVDRZWGF-UHFFFAOYSA-N 0 0 392.371 3.896 20 10 GHCDRN Nc1ccc(Cc2nc(C(=O)OCc3c(F)cccc3[N+](=O)[O-])cs2)cc1 ZINC000751930314 1049040481 /nfs/dbraw/zinc/04/04/81/1049040481.db2.gz HKDYRGUDDNYEFR-UHFFFAOYSA-N 0 0 387.392 3.720 20 10 GHCDRN CCOc1ccc(N2CCN(c3ccnc(Cc4ccc(F)cc4)n3)CC2)cc1 ZINC001307083136 1049062576 /nfs/dbraw/zinc/06/25/76/1049062576.db2.gz LKGVQIANEOSODH-UHFFFAOYSA-N 0 0 392.478 3.932 20 10 GHCDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCc1cc(O)ccc1O ZINC001307202596 1049136405 /nfs/dbraw/zinc/13/64/05/1049136405.db2.gz ZWSDXOPGZAVLDI-UHFFFAOYSA-N 0 0 379.241 3.667 20 10 GHCDRN COC(=O)c1c[nH]c(SCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)n1 ZINC001307332119 1049207357 /nfs/dbraw/zinc/20/73/57/1049207357.db2.gz JPPFCSKKGAWJGE-UHFFFAOYSA-N 0 0 383.473 3.887 20 10 GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1nccc(Cl)c1Cl ZINC001307539251 1049382603 /nfs/dbraw/zinc/38/26/03/1049382603.db2.gz MDLAYKSOFSDAFX-UHFFFAOYSA-N 0 0 389.666 3.923 20 10 GHCDRN COC(=O)/C=C\c1ccc(NCCCSc2nccs2)c([N+](=O)[O-])c1 ZINC000733895717 1049558513 /nfs/dbraw/zinc/55/85/13/1049558513.db2.gz IZBRQMVCDKWYDG-XQRVVYSFSA-N 0 0 379.463 3.832 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc3cncc(Br)c3n2)cc1 ZINC001290290431 1049792345 /nfs/dbraw/zinc/79/23/45/1049792345.db2.gz JVQVYXBITUCQNP-UHFFFAOYSA-N 0 0 399.292 3.731 20 10 GHCDRN COC(=O)[C@@H](Cc1ccc(OC(F)(F)F)cc1)NCc1ccc(OC)c(C)c1 ZINC001308053867 1049800524 /nfs/dbraw/zinc/80/05/24/1049800524.db2.gz BDHQRDCPYXPQJW-QGZVFWFLSA-N 0 0 397.393 3.776 20 10 GHCDRN COCCN(Cc1ccco1)C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC001290699166 1049903598 /nfs/dbraw/zinc/90/35/98/1049903598.db2.gz IZHXDAKLRANSJJ-UHFFFAOYSA-N 0 0 394.471 3.717 20 10 GHCDRN Cc1nnc(N2C[C@H](C)CC[C@H]2C)n1Cc1ccc(N2CCSCC2)cc1 ZINC001290750282 1049916626 /nfs/dbraw/zinc/91/66/26/1049916626.db2.gz CODFDDLKMIUPTA-IAGOWNOFSA-N 0 0 385.581 3.813 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(CO)c(F)c2)cc1 ZINC001290755944 1049917750 /nfs/dbraw/zinc/91/77/50/1049917750.db2.gz ACENZRJCTRJANB-UHFFFAOYSA-N 0 0 382.435 3.820 20 10 GHCDRN COc1ccc(C[NH2+]Cc2cc(Br)cc(F)c2[O-])cc1[N+](=O)[O-] ZINC001308251974 1049926709 /nfs/dbraw/zinc/92/67/09/1049926709.db2.gz DOUVVPIYCZTAPO-UHFFFAOYSA-N 0 0 385.189 3.500 20 10 GHCDRN CC(C)(NCc1c(O)cccc1Br)c1cn(-c2ccccc2)nn1 ZINC001308308575 1049945020 /nfs/dbraw/zinc/94/50/20/1049945020.db2.gz YIDMHTZQEGFANC-UHFFFAOYSA-N 0 0 387.281 3.760 20 10 GHCDRN Oc1c(F)cc(Br)cc1CNc1ccccc1Cn1cncn1 ZINC001308322710 1049948273 /nfs/dbraw/zinc/94/82/73/1049948273.db2.gz KWNUSHBEVGFZCK-UHFFFAOYSA-N 0 0 377.217 3.546 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC001308330508 1049950399 /nfs/dbraw/zinc/95/03/99/1049950399.db2.gz HXRIMDIFOGEMAX-UHFFFAOYSA-N 0 0 396.256 3.787 20 10 GHCDRN COc1ccc2c(c1)OC[C@H]([NH2+]Cc1cc(C)cc(Br)c1[O-])C2 ZINC001308360023 1049958113 /nfs/dbraw/zinc/95/81/13/1049958113.db2.gz CVZRFCJHTCYGRN-CQSZACIVSA-N 0 0 378.266 3.565 20 10 GHCDRN COc1ccc([C@@H](CCO)[NH2+]Cc2cc(C)cc(Br)c2[O-])cc1 ZINC001308359677 1049958129 /nfs/dbraw/zinc/95/81/29/1049958129.db2.gz HELCJTJJBVKSTA-QGZVFWFLSA-N 0 0 380.282 3.685 20 10 GHCDRN Cc1cccc(NC(=O)N2CCN(C/C=C\c3ccc(N(C)C)cc3)CC2)c1 ZINC001308600112 1050026826 /nfs/dbraw/zinc/02/68/26/1050026826.db2.gz RFMMUBYBFLDHHA-ALCCZGGFSA-N 0 0 378.520 3.924 20 10 GHCDRN COCCN(Cc1c2cc(F)ccc2n(C)c1C(=O)OC)Cc1ccccc1 ZINC001308656063 1050049883 /nfs/dbraw/zinc/04/98/83/1050049883.db2.gz JYNRBDJPBOHLHX-UHFFFAOYSA-N 0 0 384.451 3.753 20 10 GHCDRN Cc1cc(Br)c(O)c(CN2CCNC(=O)[C@H]2CC2CCCCC2)c1 ZINC001308823897 1050108980 /nfs/dbraw/zinc/10/89/80/1050108980.db2.gz AJMLMWYZUSNFAG-QGZVFWFLSA-N 0 0 395.341 3.734 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1CN1CCO[C@@]2(CCSC2)C1 ZINC001308831397 1050112850 /nfs/dbraw/zinc/11/28/50/1050112850.db2.gz FUICXHLSSSXVQO-AWEZNQCLSA-N 0 0 378.719 3.516 20 10 GHCDRN CC(C)c1ccc(O)c(CN2CCn3c(Cc4cccc(F)c4F)nnc3C2)c1 ZINC001308915575 1050164585 /nfs/dbraw/zinc/16/45/85/1050164585.db2.gz WQUVUQFMJSKJGE-UHFFFAOYSA-N 0 0 398.457 3.992 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccccc1N1CCCC1=O ZINC001327341704 1050164582 /nfs/dbraw/zinc/16/45/82/1050164582.db2.gz PAWHTTCRFHYBEY-QGZVFWFLSA-N 0 0 379.504 3.549 20 10 GHCDRN COCC[C@H]1COCCN1C(=O)c1cc(-n2c(C)ccc2C)ccc1Cl ZINC001327646520 1050242619 /nfs/dbraw/zinc/24/26/19/1050242619.db2.gz GHBQMQCXKZXMBK-KRWDZBQOSA-N 0 0 376.884 3.625 20 10 GHCDRN Cc1c(CO)cc([N+](=O)[O-])c(N2CCc3sc(Cl)cc3C2)c1[N+](=O)[O-] ZINC001328134678 1050406730 /nfs/dbraw/zinc/40/67/30/1050406730.db2.gz LACIOMRMQMQLEV-UHFFFAOYSA-N 0 0 383.813 3.581 20 10 GHCDRN O=C(c1ncc(Cc2ccccc2)o1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001328648573 1050573997 /nfs/dbraw/zinc/57/39/97/1050573997.db2.gz PFSGELCNXOTQKF-IBGZPJMESA-N 0 0 392.455 3.792 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2cc(C3CC3)nn2C)cc1 ZINC001329019544 1050697589 /nfs/dbraw/zinc/69/75/89/1050697589.db2.gz PJVJSBBYCWLGAG-UHFFFAOYSA-N 0 0 376.460 3.699 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1CCc2ccc(Cl)cc21 ZINC001329155800 1050735946 /nfs/dbraw/zinc/73/59/46/1050735946.db2.gz GUWRQNNHFZDIPN-FQEVSTJZSA-N 0 0 385.895 3.663 20 10 GHCDRN COc1ccc2[nH]c(C)c(C(=O)NCc3cc(Br)ccc3O)c2c1 ZINC001329330580 1050779947 /nfs/dbraw/zinc/77/99/47/1050779947.db2.gz PFUGIRWVAHHGMQ-UHFFFAOYSA-N 0 0 389.249 3.883 20 10 GHCDRN Cc1cccc([C@@H]2CCCN2C(=O)c2csc(Cc3ccc(N)cc3)n2)n1 ZINC001329512579 1050825182 /nfs/dbraw/zinc/82/51/82/1050825182.db2.gz XNGTYEXRDYMQJV-IBGZPJMESA-N 0 0 378.501 3.997 20 10 GHCDRN O=S(=O)(NCc1cc(Cl)ccc1O)c1cc(Cl)ccc1OC(F)F ZINC001309654484 1050900994 /nfs/dbraw/zinc/90/09/94/1050900994.db2.gz MCHPAYYIFNBPEJ-UHFFFAOYSA-N 0 0 398.214 3.779 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NCc3cccc(Cl)c3F)CC2)cc1 ZINC001330069281 1050950603 /nfs/dbraw/zinc/95/06/03/1050950603.db2.gz KHSFMTGKSGDJLH-UHFFFAOYSA-N 0 0 391.874 3.956 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1[nH]ccc1-c1ccccc1 ZINC001330565441 1051029168 /nfs/dbraw/zinc/02/91/68/1051029168.db2.gz WKWPXNJSYDXHRG-UHFFFAOYSA-N 0 0 389.499 3.820 20 10 GHCDRN Cc1cc(CCNC(=O)C2CCN(C(=O)C(C)C)CC2)c(C)n1-c1ccccc1 ZINC001331781050 1051371343 /nfs/dbraw/zinc/37/13/43/1051371343.db2.gz SZJYFKKSZHHPHM-UHFFFAOYSA-N 0 0 395.547 3.647 20 10 GHCDRN Nc1ccc(Cc2nc(C(=O)N3CCCC[C@H](C4CCOCC4)C3)cs2)cc1 ZINC001332084274 1051453558 /nfs/dbraw/zinc/45/35/58/1051453558.db2.gz IZIMWLXZHKEIEK-SFHVURJKSA-N 0 0 399.560 3.985 20 10 GHCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC001332909950 1051599771 /nfs/dbraw/zinc/59/97/71/1051599771.db2.gz WGXQVCXIVLAJOJ-UHFFFAOYSA-N 0 0 378.451 3.932 20 10 GHCDRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCCN1Cc1ccncc1 ZINC001332909590 1051599996 /nfs/dbraw/zinc/59/99/96/1051599996.db2.gz UQBHORYPFPAUAJ-QHCPKHFHSA-N 0 0 392.547 3.743 20 10 GHCDRN COc1nccc2c(NCc3ccc(N4CCN(C)CC4)c(F)c3)cccc21 ZINC001333680096 1051806776 /nfs/dbraw/zinc/80/67/76/1051806776.db2.gz PENYENNXXVWZCU-UHFFFAOYSA-N 0 0 380.467 3.746 20 10 GHCDRN COC(=O)c1cc2cccnc2c(NC(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC001311235159 1051957355 /nfs/dbraw/zinc/95/73/55/1051957355.db2.gz KRHWXDFZSWGTDZ-UHFFFAOYSA-N 0 0 396.422 3.548 20 10 GHCDRN O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1c[nH]c(C(F)(F)F)c1 ZINC001334780545 1051977496 /nfs/dbraw/zinc/97/74/96/1051977496.db2.gz YBHDNGLLZPSADH-UHFFFAOYSA-N 0 0 387.427 3.502 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H](CO)Cc2cncs2)c1 ZINC001335090663 1052033434 /nfs/dbraw/zinc/03/34/34/1052033434.db2.gz UCCTZQJUQBQTRD-AWEZNQCLSA-N 0 0 389.908 3.537 20 10 GHCDRN C[C@@H](NC(=O)NCc1cccc(Cl)c1O)c1ccc(NC(=O)C2CC2)cc1 ZINC001335415677 1052095384 /nfs/dbraw/zinc/09/53/84/1052095384.db2.gz BVYHNZPAFPXTNJ-GFCCVEGCSA-N 0 0 387.867 3.955 20 10 GHCDRN C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC001311457745 1052170052 /nfs/dbraw/zinc/17/00/52/1052170052.db2.gz MODVHMPUAMECHY-QLFBSQMISA-N 0 0 399.457 3.728 20 10 GHCDRN CCOc1ccc(N2CCN([C@H](C)C(=O)Nc3ccc(F)cc3F)CC2)cc1 ZINC001335865717 1052193427 /nfs/dbraw/zinc/19/34/27/1052193427.db2.gz HKJSMCBZCGGOHH-OAHLLOKOSA-N 0 0 389.446 3.513 20 10 GHCDRN CCOc1ccc(N2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)cc1 ZINC001336413754 1052270405 /nfs/dbraw/zinc/27/04/05/1052270405.db2.gz MQVAHQKNNSWHHS-UHFFFAOYSA-N 0 0 378.432 3.868 20 10 GHCDRN CC(C)c1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC001336695257 1052307152 /nfs/dbraw/zinc/30/71/52/1052307152.db2.gz JOXXTZJJRJKPAI-UHFFFAOYSA-N 0 0 382.508 3.647 20 10 GHCDRN COC(=O)CC1CC(NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1 ZINC001311742146 1052367632 /nfs/dbraw/zinc/36/76/32/1052367632.db2.gz RFOVTNKBXOUKEI-UHFFFAOYSA-N 0 0 387.524 3.596 20 10 GHCDRN Cc1ccc(N2CCN(C(=O)NCc3ccc(N(C)C)c(F)c3)[C@H](C)C2)cc1C ZINC001311745164 1052369296 /nfs/dbraw/zinc/36/92/96/1052369296.db2.gz YYBYOYOUKOKFDN-GOSISDBHSA-N 0 0 398.526 3.929 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)NCC3(c4ccc(F)cc4)CCC3)C2)cc1 ZINC001311811147 1052414480 /nfs/dbraw/zinc/41/44/80/1052414480.db2.gz JBKBAKDIYFQVSW-IBGZPJMESA-N 0 0 397.494 3.834 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NCC[C@@H]3CCCC3(F)F)CC2)cc1 ZINC001311826168 1052422729 /nfs/dbraw/zinc/42/27/29/1052422729.db2.gz BTRMWIFCWYIDSQ-HNNXBMFYSA-N 0 0 381.467 3.789 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N(C)[C@H](CO)c2ccccc2C)cc1F ZINC001311934504 1052485705 /nfs/dbraw/zinc/48/57/05/1052485705.db2.gz BQTFWNOVSOWLMK-OAQYLSRUSA-N 0 0 387.499 3.855 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCCc2cccc(F)c2F)cc1F ZINC001311936330 1052486727 /nfs/dbraw/zinc/48/67/27/1052486727.db2.gz ZRVRAVOURYEGQW-UHFFFAOYSA-N 0 0 379.426 3.992 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCOC23CCCCC3)cc1F ZINC001311936071 1052486749 /nfs/dbraw/zinc/48/67/49/1052486749.db2.gz UWMKZWOAOVJDLX-IBGZPJMESA-N 0 0 377.504 3.963 20 10 GHCDRN CO[C@H](CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)c1ccc(F)cc1 ZINC001312090434 1052567128 /nfs/dbraw/zinc/56/71/28/1052567128.db2.gz FPKYOJZXDHPLRF-IIBYNOLFSA-N 0 0 387.499 3.818 20 10 GHCDRN Cc1cc(C[C@@H](C)NC(=O)N[C@@H](C)c2ccccc2O)n(-c2ccccc2)n1 ZINC001312327091 1052697379 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GHCDRN CC[C@@H](CCc1ccccc1)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001312993885 1052928685 /nfs/dbraw/zinc/92/86/85/1052928685.db2.gz FRCOYLHTYFXAIQ-PMACEKPBSA-N 0 0 381.520 3.985 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)COCC3CCCCC3)C2)cc1 ZINC001312993532 1052928765 /nfs/dbraw/zinc/92/87/65/1052928765.db2.gz BXMQAKUGIIPHCB-MJGOQNOKSA-N 0 0 389.540 3.559 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)NC3(c4ccccc4Cl)CC3)C2)cc1 ZINC001312995282 1052929211 /nfs/dbraw/zinc/92/92/11/1052929211.db2.gz UPQYFAAGQYJNIK-HNNXBMFYSA-N 0 0 385.895 3.916 20 10 GHCDRN CCN(CC)c1ccc(Cn2c([C@@H]3CCCOC3)nnc2N(C)C2CC2)cc1 ZINC001313681098 1053165816 /nfs/dbraw/zinc/16/58/16/1053165816.db2.gz PKUJFWGSDKWOFE-GOSISDBHSA-N 0 0 383.540 3.665 20 10 GHCDRN CCOC[C@H]1CCN(c2nnc(C(C)C)n2Cc2ccc3c(c2)CCCN3C)C1 ZINC001314429957 1053480220 /nfs/dbraw/zinc/48/02/20/1053480220.db2.gz NPXFHEKTKSQRTE-IBGZPJMESA-N 0 0 397.567 3.695 20 10 GHCDRN CN(CC1CC1)c1nnc(-c2ccccn2)n1CCCSc1nccs1 ZINC001314788632 1053612856 /nfs/dbraw/zinc/61/28/56/1053612856.db2.gz ZTZRLIFGEYOSRN-UHFFFAOYSA-N 0 0 386.550 3.825 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)C3(Cc4ccc(F)cc4)CC3)CC2)cc1 ZINC001343301693 1053689378 /nfs/dbraw/zinc/68/93/78/1053689378.db2.gz SYXGSMIBOSEWAE-UHFFFAOYSA-N 0 0 382.479 3.896 20 10 GHCDRN CC(C)Cn1c(C2Sc3ncccc3C2=O)nnc1N1C[C@H]2[C@@H](C1)C2(F)F ZINC001343436622 1053768945 /nfs/dbraw/zinc/76/89/45/1053768945.db2.gz BRZRXJGDYJRSRT-TXEJJXNPSA-N 0 0 391.447 3.618 20 10 GHCDRN C[C@@H]([NH2+]CCN1C(=O)COc2ccccc21)c1cc(Cl)c(Cl)cc1[O-] ZINC001343905358 1054105930 /nfs/dbraw/zinc/10/59/30/1054105930.db2.gz SVAPXQRFHVGUSO-LLVKDONJSA-N 0 0 381.259 3.775 20 10 GHCDRN O=C(CCc1nc(-c2ccccc2)no1)NCc1ccc(N2CCCC2)cc1 ZINC001317875090 1054285617 /nfs/dbraw/zinc/28/56/17/1054285617.db2.gz ZMGSGDYWAOJLQC-UHFFFAOYSA-N 0 0 376.460 3.586 20 10 GHCDRN C[C@H]1c2ccccc2CN1c1nnc(C2SC=CC2=O)n1C[C@H]1CCOC1 ZINC001344468178 1054501035 /nfs/dbraw/zinc/50/10/35/1054501035.db2.gz FLZLEMSXCMSNGB-UONOGXRCSA-N 0 0 382.489 3.830 20 10 GHCDRN COc1cc(NCc2ccc(N3CCN(C)CC3)c(F)c2)cc(OC)c1Cl ZINC001344569536 1054571574 /nfs/dbraw/zinc/57/15/74/1054571574.db2.gz QOCKIJMSOZMVFD-UHFFFAOYSA-N 0 0 393.890 3.860 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCCCN2Cc2cccnc2)cc1 ZINC001318701444 1054807120 /nfs/dbraw/zinc/80/71/20/1054807120.db2.gz DNXSYDTUEUEVBR-QHCPKHFHSA-N 0 0 394.563 3.941 20 10 GHCDRN COc1nscc1CN(C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001345631704 1055173724 /nfs/dbraw/zinc/17/37/24/1055173724.db2.gz GCLWPVFNMWZQBP-UHFFFAOYSA-N 0 0 388.537 3.730 20 10 GHCDRN CCOc1ccc(N2CCN(CC(=O)Nc3sc(C)c(C)c3C)CC2)cc1 ZINC001319397191 1055226299 /nfs/dbraw/zinc/22/62/99/1055226299.db2.gz JIKMRCUMTBIGFS-UHFFFAOYSA-N 0 0 387.549 3.833 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H](C)CO[C@H]2CCOC2)c1 ZINC001319513456 1055298427 /nfs/dbraw/zinc/29/84/27/1055298427.db2.gz JKSJSYSLEAKCKL-DYVFJYSZSA-N 0 0 376.884 3.671 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)c3cc(C)c4ccccc4n3)CC2)cc1 ZINC001319731858 1055432385 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Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)oc1Br ZINC001125518639 841705722 /nfs/dbraw/zinc/70/57/22/841705722.db2.gz JAZMPDFOLQCDIT-CYBMUJFWSA-N 0 0 393.281 3.678 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000160971474 841833755 /nfs/dbraw/zinc/83/37/55/841833755.db2.gz PTXOGEISVSXTRZ-PKOBYXMFSA-N 0 0 388.483 3.938 20 10 GHCDRN Cc1ccc(CN(CCCN2CCOCC2)c2ccc3c(c2)OCCO3)s1 ZINC001167755628 841836272 /nfs/dbraw/zinc/83/62/72/841836272.db2.gz YTQNBJLLAZNNJO-UHFFFAOYSA-N 0 0 388.533 3.557 20 10 GHCDRN Cn1cc(C(=O)N2CCCc3c(OC(F)F)cccc32)c(-c2cccnc2)n1 ZINC000661535106 841855482 /nfs/dbraw/zinc/85/54/82/841855482.db2.gz MXEQCCHFOYWMGC-UHFFFAOYSA-N 0 0 384.386 3.677 20 10 GHCDRN C[C@H]([NH2+]CCOC[C@H]1CCCO1)c1cc(Br)cc(Cl)c1[O-] ZINC000756583377 841859717 /nfs/dbraw/zinc/85/97/17/841859717.db2.gz NLVQKOCVYKOGDP-CMPLNLGQSA-N 0 0 378.694 3.654 20 10 GHCDRN CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000382451983 842138396 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COCCn1c(C)c(C)c2cc(C(=O)N(C)Cc3ccc(OC)nc3)ccc21 ZINC000676666518 858742399 /nfs/dbraw/zinc/74/23/99/858742399.db2.gz TUMRTBAWJHRCJN-UHFFFAOYSA-N 0 0 381.476 3.580 20 10 GHCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1C[C@H](c2ccccc2F)C1 ZINC000804196385 858763894 /nfs/dbraw/zinc/76/38/94/858763894.db2.gz LTJWMPPMBTZEER-NNUKFRKNSA-N 0 0 388.826 3.895 20 10 GHCDRN Cc1cccc2sc(NCc3ccc(N4CCC(C(N)=O)CC4)cc3)nc21 ZINC000895218680 858771831 /nfs/dbraw/zinc/77/18/31/858771831.db2.gz LRUKSRZHIKOGQV-UHFFFAOYSA-N 0 0 380.517 3.919 20 10 GHCDRN CN(C)c1ccc(CN2C(=O)CN(Cc3ccc(Cl)cc3)C2=O)cc1F ZINC000761179818 858926305 /nfs/dbraw/zinc/92/63/05/858926305.db2.gz LIPKLKIICFIJTC-UHFFFAOYSA-N 0 0 375.831 3.510 20 10 GHCDRN CSCC(C)(C)C(=O)NCc1cc(NC(=O)C(C)(C)CSC)ccc1O ZINC000923116672 859036024 /nfs/dbraw/zinc/03/60/24/859036024.db2.gz GDKPWKVQNGUZSU-UHFFFAOYSA-N 0 0 398.594 3.725 20 10 GHCDRN COc1cc(Cl)cc(CN2CCCN(C(=O)CC3CCCC3)CC2)c1O ZINC000761191790 859055304 /nfs/dbraw/zinc/05/53/04/859055304.db2.gz 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CC[C@@H]1CN(C(=O)c2ccccc2SCc2cc(C)no2)C[C@@H](C)[S@]1=O ZINC000804432739 882847611 /nfs/dbraw/zinc/84/76/11/882847611.db2.gz LLEXQPGEQOQJRM-SBTMGTPNSA-N 0 0 392.546 3.647 20 10 GHCDRN CC[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1nc(C)cs1 ZINC000104790477 874734880 /nfs/dbraw/zinc/73/48/80/874734880.db2.gz OGFYMVPFOKBXOG-QGZVFWFLSA-N 0 0 390.578 3.955 20 10 GHCDRN CCOc1c(OC)cc(CNCc2cc(F)c(N(C)C)cc2F)cc1OC ZINC000858117287 882859000 /nfs/dbraw/zinc/85/90/00/882859000.db2.gz IQVDNHLSAVRIJR-UHFFFAOYSA-N 0 0 380.435 3.737 20 10 GHCDRN CCOC(=O)c1ccc(NC(=S)NCc2ccc(C(F)(F)F)cn2)cc1 ZINC001199052544 874778174 /nfs/dbraw/zinc/77/81/74/874778174.db2.gz XLLCULPHDMKUGT-UHFFFAOYSA-N 0 0 383.395 3.764 20 10 GHCDRN COc1cccc(O)c1CNc1cccc(N(CC(N)=O)Cc2ccccc2)c1 ZINC000770562446 874782414 /nfs/dbraw/zinc/78/24/14/874782414.db2.gz DPQCZEUQTPEHGB-UHFFFAOYSA-N 0 0 391.471 3.505 20 10 GHCDRN CC1(C)C[S@](=O)CCN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000775931518 874790333 /nfs/dbraw/zinc/79/03/33/874790333.db2.gz 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GHCDRN COc1cccc(CNC(=O)c2cc3cc(Br)ccc3[nH]2)c1O ZINC000105651896 875356060 /nfs/dbraw/zinc/35/60/60/875356060.db2.gz QASROQKPOVMTQE-UHFFFAOYSA-N 0 0 375.222 3.575 20 10 GHCDRN COc1cc([N+](=O)[O-])c(N2CCC(OCCc3ccccc3)CC2)cc1OC ZINC000121560735 875444465 /nfs/dbraw/zinc/44/44/65/875444465.db2.gz RAGOOHMITJWCMZ-UHFFFAOYSA-N 0 0 386.448 3.840 20 10 GHCDRN Cc1c(NCc2cc(Cl)cc(Br)c2[O-])cccc1-n1cnnn1 ZINC001201069624 875473360 /nfs/dbraw/zinc/47/33/60/875473360.db2.gz HCLQPYPBAQIOSJ-UHFFFAOYSA-N 0 0 394.660 3.704 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000858200981 882933567 /nfs/dbraw/zinc/93/35/67/882933567.db2.gz FPNLBYFYCKVTQF-YADHBBJMSA-N 0 0 382.479 3.815 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1csc(C(F)(F)F)c1 ZINC000858201408 882934917 /nfs/dbraw/zinc/93/49/17/882934917.db2.gz NVVFENJLLLTDOH-UHFFFAOYSA-N 0 0 384.423 3.876 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H](O)Cc1ccccc1Cl ZINC000771947007 875568191 /nfs/dbraw/zinc/56/81/91/875568191.db2.gz 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[O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000776176103 875693321 /nfs/dbraw/zinc/69/33/21/875693321.db2.gz YHMDVESHZKNIJE-GOEBONIOSA-N 0 0 377.765 3.809 20 10 GHCDRN Cc1cc(C(=O)N2CCCOCC2)c(C)n1-c1ccc(Br)cc1 ZINC000746527077 875729061 /nfs/dbraw/zinc/72/90/61/875729061.db2.gz YDUCRRIAJHBULK-UHFFFAOYSA-N 0 0 377.282 3.719 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@H]2CCCN(C)C2=O)cc1 ZINC000772159376 875755936 /nfs/dbraw/zinc/75/59/36/875755936.db2.gz MXEYTQATDLYLJR-IBGZPJMESA-N 0 0 379.464 3.519 20 10 GHCDRN COc1ccc(O)c(CNC(=O)C(C)(C)c2cccc(Br)c2)c1 ZINC000151733952 875876823 /nfs/dbraw/zinc/87/68/23/875876823.db2.gz RPLGQPSSIZFELI-UHFFFAOYSA-N 0 0 378.266 3.757 20 10 GHCDRN CCN(Cc1ccccc1O)S(=O)(=O)c1cccc(F)c1Br ZINC001201780061 875877658 /nfs/dbraw/zinc/87/76/58/875877658.db2.gz UYKPOFQQOGKDHR-UHFFFAOYSA-N 0 0 388.258 3.505 20 10 GHCDRN FC(F)Oc1ccc(N2CCC[C@H](Nc3nnc(-c4ccon4)s3)C2)cc1 ZINC000804520360 882978781 /nfs/dbraw/zinc/97/87/81/882978781.db2.gz 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VHXFCOKJWXUPFH-UHFFFAOYSA-N 0 0 386.517 3.508 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)CSc2ncc(-c3ccccc3)n2C)cc1 ZINC000007105676 876526054 /nfs/dbraw/zinc/52/60/54/876526054.db2.gz AOKYANNDMGLAEC-UHFFFAOYSA-N 0 0 394.544 3.904 20 10 GHCDRN CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H]3C[C@H](C)CC(C)(C)C3)cc2)CC1 ZINC000786258897 876557269 /nfs/dbraw/zinc/55/72/69/876557269.db2.gz IFUSMJFZACTVQQ-RXVVDRJESA-N 0 0 399.579 3.824 20 10 GHCDRN COc1ccc(CN(C)C(=O)[C@H](C)Sc2ncc(Cl)s2)cc1OC ZINC000849998930 876583585 /nfs/dbraw/zinc/58/35/85/876583585.db2.gz KQVRBWMRIQEDJL-JTQLQIEISA-N 0 0 386.926 3.953 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2cnnc(C)c2)c(C)n1-c1ccc2c(c1)CCC2 ZINC000786398554 876696911 /nfs/dbraw/zinc/69/69/11/876696911.db2.gz JGTRAAOEOPBJMM-UHFFFAOYSA-N 0 0 389.455 3.721 20 10 GHCDRN CSc1ccc(Cl)c(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000850345263 876834902 /nfs/dbraw/zinc/83/49/02/876834902.db2.gz QBZWEUFRWNKASR-UHFFFAOYSA-N 0 0 391.924 3.725 20 10 GHCDRN Cc1ccc([C@H](C)NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000786723689 876887133 /nfs/dbraw/zinc/88/71/33/876887133.db2.gz MSBZBKREZWVHSR-KRWDZBQOSA-N 0 0 392.455 3.700 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCNc2cnccn2)cc1 ZINC000772687569 876930109 /nfs/dbraw/zinc/93/01/09/876930109.db2.gz ZMWTWCAXRBYKLR-UHFFFAOYSA-N 0 0 389.463 3.800 20 10 GHCDRN C[C@@H](NC(=O)CCCc1ccc(O)c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000786828341 876948322 /nfs/dbraw/zinc/94/83/22/876948322.db2.gz UVOFOMGTBXYRRX-MRXNPFEDSA-N 0 0 386.467 3.568 20 10 GHCDRN COc1ccc(N2CC[C@H](N[C@@H](c3ccc(F)cc3)c3cnccn3)C2)cc1 ZINC000850487410 876962376 /nfs/dbraw/zinc/96/23/76/876962376.db2.gz GYBMXKLMIOSCMO-AVRDEDQJSA-N 0 0 378.451 3.582 20 10 GHCDRN CCN(C)c1ccc([C@H](C)Nc2ccc(OCCS(C)(=O)=O)cc2)cc1 ZINC000850488845 876966382 /nfs/dbraw/zinc/96/63/82/876966382.db2.gz VBTZOVAYNORVNN-INIZCTEOSA-N 0 0 376.522 3.739 20 10 GHCDRN C[C@H]([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1cc(Cl)c(Cl)cc1[O-] ZINC000850558463 877025349 /nfs/dbraw/zinc/02/53/49/877025349.db2.gz XRHVJAIISQWLHU-JBBXEZCESA-N 0 0 385.335 3.993 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@H](CC(N)=O)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000746655457 877212089 /nfs/dbraw/zinc/21/20/89/877212089.db2.gz XLDQHCAAZPIGJQ-GOSISDBHSA-N 0 0 381.520 3.945 20 10 GHCDRN CC(C)c1nnc(CCC(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)o1 ZINC000175519157 877243091 /nfs/dbraw/zinc/24/30/91/877243091.db2.gz JTIAMMDEIDWBLX-UHFFFAOYSA-N 0 0 398.429 3.783 20 10 GHCDRN COC[C@H](NC(=O)NCc1ccc(N(C)C)cc1C)c1ccc(Cl)cc1 ZINC000787243238 877259851 /nfs/dbraw/zinc/25/98/51/877259851.db2.gz PJPLMHLZSRHWSL-IBGZPJMESA-N 0 0 375.900 3.901 20 10 GHCDRN Cc1ccnn1-c1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000109180081 877407037 /nfs/dbraw/zinc/40/70/37/877407037.db2.gz QPUOWIFXXLTKNH-GOSISDBHSA-N 0 0 390.487 3.508 20 10 GHCDRN CN(C)C(=O)C1CCC(C(=O)Oc2ccc3c(c2)c2c(n3C)CCCC2)CC1 ZINC000851104653 877410774 /nfs/dbraw/zinc/41/07/74/877410774.db2.gz LRYUSRSWHIPTDO-UHFFFAOYSA-N 0 0 382.504 3.857 20 10 GHCDRN C[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)s1 ZINC000175674523 877450757 /nfs/dbraw/zinc/45/07/57/877450757.db2.gz VSRMNZUYFCNVBB-LBPRGKRZSA-N 0 0 382.888 3.797 20 10 GHCDRN CC(C)[C@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)CCS1 ZINC000175676557 877452183 /nfs/dbraw/zinc/45/21/83/877452183.db2.gz YEMQIZZHSJIAND-GOSISDBHSA-N 0 0 379.595 3.523 20 10 GHCDRN CN(C)c1ccc(/C=C/CN2CC(O)(c3cccc(Br)c3)C2)cc1 ZINC001183082971 912238142 /nfs/dbraw/zinc/23/81/42/912238142.db2.gz BACAVFJUQUHHJX-SNAWJCMRSA-N 0 0 387.321 3.732 20 10 GHCDRN O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000787721978 877561392 /nfs/dbraw/zinc/56/13/92/877561392.db2.gz WVTYLPVVPMTAMZ-NWEXPUDGSA-N 0 0 392.571 3.644 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccnc(Oc2ccccc2F)c1 ZINC000787717238 877577837 /nfs/dbraw/zinc/57/78/37/877577837.db2.gz PMBOQFMEJRNEET-VURMDHGXSA-N 0 0 380.375 3.754 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)c1cc(C)sc1C ZINC000787848663 877669497 /nfs/dbraw/zinc/66/94/97/877669497.db2.gz OYQXMEJZBNHJJU-OAHLLOKOSA-N 0 0 387.549 3.657 20 10 GHCDRN CCC(CC)[C@H](CCNC(=O)NCc1ccc(N2CCSCC2)cc1)OC ZINC000746714983 877720671 /nfs/dbraw/zinc/72/06/71/877720671.db2.gz ROSNMMVGDKWFMY-FQEVSTJZSA-N 0 0 393.597 3.880 20 10 GHCDRN CCc1cc(NC(=O)N(CC)Cc2cc(Br)ccc2O)n(C)n1 ZINC000173206373 877751687 /nfs/dbraw/zinc/75/16/87/877751687.db2.gz SGAGMAUBTUOYLC-UHFFFAOYSA-N 0 0 381.274 3.505 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@@H](OCC)[C@@H]1Oc1ccccc1 ZINC000776529818 877792091 /nfs/dbraw/zinc/79/20/91/877792091.db2.gz DCILHBKSMRBUDD-CEMLEFRQSA-N 0 0 398.503 3.939 20 10 GHCDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCCc3ccc(N)cc3)cc2[N+](=O)[O-])C1 ZINC000237713549 877864338 /nfs/dbraw/zinc/86/43/38/877864338.db2.gz FZDRKLIWKZDYFV-HOTGVXAUSA-N 0 0 396.491 3.632 20 10 GHCDRN Cc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000109190346 877902000 /nfs/dbraw/zinc/90/20/00/877902000.db2.gz QIGPQQJBKXGUIR-SFHVURJKSA-N 0 0 380.488 3.672 20 10 GHCDRN O=C(NCCCSc1nccs1)Nc1ccc(CN2CCCC2=O)cc1 ZINC000152374410 877923268 /nfs/dbraw/zinc/92/32/68/877923268.db2.gz QFFTZJRTVCSYLD-UHFFFAOYSA-N 0 0 390.534 3.569 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](O)c3cc(C)cc(C)c3)ccc21 ZINC000801538779 921110883 /nfs/dbraw/zinc/11/08/83/921110883.db2.gz OFPXJKDTQWRWBE-QHCPKHFHSA-N 0 0 394.515 3.985 20 10 GHCDRN COc1ccc(O)c(CNC(=O)Nc2ccc(OCc3ccccn3)c(F)c2)c1 ZINC000746740547 877991300 /nfs/dbraw/zinc/99/13/00/877991300.db2.gz ANJGGBJCONYSBM-UHFFFAOYSA-N 0 0 397.406 3.836 20 10 GHCDRN CC(C)[C@@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccnn1C ZINC000788318267 878017194 /nfs/dbraw/zinc/01/71/94/878017194.db2.gz IQYLAKIYVJDDFQ-HXUWFJFHSA-N 0 0 383.540 3.600 20 10 GHCDRN C[C@H](NC(=O)N1CCC(c2ccco2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000852012838 878031313 /nfs/dbraw/zinc/03/13/13/878031313.db2.gz OWGQYEVZMDCYDF-KRWDZBQOSA-N 0 0 383.492 3.766 20 10 GHCDRN C[C@H](NC(=O)NC1CCC2(CC2(F)F)CC1)c1ccc(N2CCOCC2)cc1 ZINC000852012524 878031571 /nfs/dbraw/zinc/03/15/71/878031571.db2.gz LAFUGJONHTUBQM-FVWXCPNNSA-N 0 0 393.478 3.851 20 10 GHCDRN C[C@H](NC(=O)N1CCOc2ccccc2[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000852012510 878032022 /nfs/dbraw/zinc/03/20/22/878032022.db2.gz KRQKDXLTJCZTMP-ZWKOTPCHSA-N 0 0 395.503 3.749 20 10 GHCDRN CCC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852053724 878049675 /nfs/dbraw/zinc/04/96/75/878049675.db2.gz FQKHZOCVCNSQAC-NRFANRHFSA-N 0 0 395.547 3.858 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000788422003 878050951 /nfs/dbraw/zinc/05/09/51/878050951.db2.gz NQBCCZYSOOLLNU-UHFFFAOYSA-N 0 0 384.904 3.897 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(-c2ccccc2)o1 ZINC000788480627 878093450 /nfs/dbraw/zinc/09/34/50/878093450.db2.gz DDXHWUZGRNZRJQ-UHFFFAOYSA-N 0 0 392.455 3.707 20 10 GHCDRN C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)c1cccc(C(F)(F)F)c1[O-] ZINC000788505871 878114077 /nfs/dbraw/zinc/11/40/77/878114077.db2.gz UPBSMYRIYCHEEY-DOTOQJQBSA-N 0 0 394.437 3.963 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)CCc3ccc4[nH]ccc4c3)CC2)cc1 ZINC000179906807 878194248 /nfs/dbraw/zinc/19/42/48/878194248.db2.gz IHOVNAHQYYDGMQ-UHFFFAOYSA-N 0 0 377.488 3.848 20 10 GHCDRN COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])c1 ZINC000788604623 878201580 /nfs/dbraw/zinc/20/15/80/878201580.db2.gz UVBPZRTTXYNHHK-PIGZYNQJSA-N 0 0 385.382 3.812 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NCC(F)(F)c1ccccc1 ZINC000788730979 878264960 /nfs/dbraw/zinc/26/49/60/878264960.db2.gz FDWUHWQQAQSABK-UHFFFAOYSA-N 0 0 391.487 3.831 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC[C@H]1CCCCC(F)(F)C1 ZINC000852350079 878269035 /nfs/dbraw/zinc/26/90/35/878269035.db2.gz PPKBJYABEJBDHV-KRWDZBQOSA-N 0 0 395.494 3.663 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3C[C@H](c4ccc(F)cc4)C3)C2)cc1 ZINC000852355108 878274981 /nfs/dbraw/zinc/27/49/81/878274981.db2.gz PCXBEYOGGCKCKL-BHIYHBOVSA-N 0 0 383.467 3.658 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccc(C)c(Cl)c3F)CC2)cc1F ZINC000788757335 878293238 /nfs/dbraw/zinc/29/32/38/878293238.db2.gz GEZBVIWGOLPAAV-UHFFFAOYSA-N 0 0 380.822 3.898 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N(C)C[C@@H]3CCc4ccccc43)C2)cc1 ZINC000852386620 878293661 /nfs/dbraw/zinc/29/36/61/878293661.db2.gz IBMMAAHLBQCMSD-QUCCMNQESA-N 0 0 393.531 3.893 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)NCCC[C@H]3CC3(Cl)Cl)C2)cc1 ZINC000852400405 878300420 /nfs/dbraw/zinc/30/04/20/878300420.db2.gz LJVLFQMQZSICDL-KBPBESRZSA-N 0 0 386.323 3.547 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1cccc(C(F)(F)F)c1[O-] ZINC000788743267 878317107 /nfs/dbraw/zinc/31/71/07/878317107.db2.gz YHLVSJUWTKIWLD-SUMWQHHRSA-N 0 0 393.409 3.648 20 10 GHCDRN Cc1c(C(=O)NCc2ccc(N3CCCCC3)cc2)nnn1CC1CCCC1 ZINC000788743258 878317275 /nfs/dbraw/zinc/31/72/75/878317275.db2.gz RPZFGOJSNIIAQE-UHFFFAOYSA-N 0 0 381.524 3.697 20 10 GHCDRN Cc1c(Br)ccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1F ZINC000788742864 878317318 /nfs/dbraw/zinc/31/73/18/878317318.db2.gz PKLOGYMBYBKOSO-UHFFFAOYSA-N 0 0 393.256 3.986 20 10 GHCDRN CCOC[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(C)C ZINC000788797503 878325668 /nfs/dbraw/zinc/32/56/68/878325668.db2.gz HEKASIWUQMUQLO-QAPCUYQASA-N 0 0 399.482 3.617 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N3CC4CC3(c3ccccc3)C4)C2)cc1 ZINC000852450403 878330896 /nfs/dbraw/zinc/33/08/96/878330896.db2.gz LPLIPQXARCPSGF-YZOUICBYSA-N 0 0 377.488 3.605 20 10 GHCDRN CCN(Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852451607 878331622 /nfs/dbraw/zinc/33/16/22/878331622.db2.gz OCYKMGKQDCLMSL-SFHVURJKSA-N 0 0 392.503 3.987 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N3CCC(c4ccc(C)nc4)CC3)C2)cc1 ZINC000852452030 878334195 /nfs/dbraw/zinc/33/41/95/878334195.db2.gz ADNYIMYJQXURPM-HXUWFJFHSA-N 0 0 394.519 3.567 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H](C)c3sc(C)nc3C)C2)cc1 ZINC000852454008 878334821 /nfs/dbraw/zinc/33/48/21/878334821.db2.gz NNXIMTMPJKNPHN-HOCLYGCPSA-N 0 0 388.537 3.750 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H]3c3cccc(C)n3)C2)cc1 ZINC000852453920 878334879 /nfs/dbraw/zinc/33/48/79/878334879.db2.gz MGZRIFKPIXHAKL-LAUBAEHRSA-N 0 0 380.492 3.524 20 10 GHCDRN CCN(Cc1ccc(C)cc1)C(=O)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000788951177 878459556 /nfs/dbraw/zinc/45/95/56/878459556.db2.gz ISXFOVRBULIKSE-UHFFFAOYSA-N 0 0 381.520 3.506 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N[C@@H]3C[C@H]3c3ccccc3OC)CC2)cc1 ZINC000852606152 878463219 /nfs/dbraw/zinc/46/32/19/878463219.db2.gz UGROLIBNEPKUFR-LEWJYISDSA-N 0 0 395.503 3.528 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H](C)c2ccc(C)cc2)cc1 ZINC000788965419 878473537 /nfs/dbraw/zinc/47/35/37/878473537.db2.gz PLLAFRNOJHGZCL-SFHVURJKSA-N 0 0 381.520 3.677 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)OCc3nnc4n3CCCCC4)ccc21 ZINC000788933929 878481470 /nfs/dbraw/zinc/48/14/70/878481470.db2.gz BPMQSUHMXOLYPJ-UHFFFAOYSA-N 0 0 396.491 3.579 20 10 GHCDRN COc1ccc(N2CCN(C(=O)NCC(C)(C)CC(F)(F)F)CC2)cc1F ZINC000852724127 878549219 /nfs/dbraw/zinc/54/92/19/878549219.db2.gz BXBHJYUJMCQSPM-UHFFFAOYSA-N 0 0 391.409 3.645 20 10 GHCDRN COC(=O)c1sc2c(c1Br)CN(Cc1ccc(N(C)C)cc1)C2 ZINC000852761864 878584540 /nfs/dbraw/zinc/58/45/40/878584540.db2.gz DCBXEBIAGMHQLU-UHFFFAOYSA-N 0 0 395.322 3.879 20 10 GHCDRN Cc1ccc(OCCN(C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000068480541 878612524 /nfs/dbraw/zinc/61/25/24/878612524.db2.gz BUBKKPKYZDQVFT-LJQANCHMSA-N 0 0 397.519 3.613 20 10 GHCDRN COc1cccc(CNC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)c1O ZINC000068488853 878630816 /nfs/dbraw/zinc/63/08/16/878630816.db2.gz CCHDFBPWZVZFOZ-UHFFFAOYSA-N 0 0 385.851 3.537 20 10 GHCDRN C[C@H](NC(=O)CSc1nc2ccccc2o1)c1ccc(N2CCOCC2)cc1 ZINC000068512827 878656244 /nfs/dbraw/zinc/65/62/44/878656244.db2.gz KRLVINNLPNITID-HNNXBMFYSA-N 0 0 397.500 3.634 20 10 GHCDRN C[C@H](NC(=O)CCn1ccc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000068530647 878684635 /nfs/dbraw/zinc/68/46/35/878684635.db2.gz FBNTWYWBGQEQRB-SFHVURJKSA-N 0 0 377.488 3.745 20 10 GHCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000238089880 878714802 /nfs/dbraw/zinc/71/48/02/878714802.db2.gz SUFOYGCMNOLDIB-AWEZNQCLSA-N 0 0 393.390 3.660 20 10 GHCDRN COc1ccc(NC(=O)c2ccc(NC(=O)Cc3ccc(N)cc3)cc2)cc1 ZINC000237323181 878752503 /nfs/dbraw/zinc/75/25/03/878752503.db2.gz PPRMAKLGTSYCNH-UHFFFAOYSA-N 0 0 375.428 3.711 20 10 GHCDRN C[C@]1(O)CCCC[N@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC001203562202 912380959 /nfs/dbraw/zinc/38/09/59/912380959.db2.gz DYAWGGPZSIJNRD-AWEZNQCLSA-N 0 0 393.119 3.654 20 10 GHCDRN Cc1cc(Br)c2c(c1)CN(C(=O)c1c(F)ccc(O)c1O)CC2 ZINC001183239957 912382086 /nfs/dbraw/zinc/38/20/86/912382086.db2.gz VEWQIFBKOAMCLI-UHFFFAOYSA-N 0 0 380.213 3.506 20 10 GHCDRN CC(C)n1ncnc1CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 ZINC000789299181 878815636 /nfs/dbraw/zinc/81/56/36/878815636.db2.gz OVNLXOPBKFWKEP-UHFFFAOYSA-N 0 0 385.512 3.837 20 10 GHCDRN Cc1cc(CC(=O)O[C@@H]2CCO[C@@H]([C@@H]3CCOC3)C2)c(C)n1-c1ccccc1 ZINC000853116849 878823366 /nfs/dbraw/zinc/82/33/66/878823366.db2.gz NJBADIDAZZHFHE-STZQEDGTSA-N 0 0 383.488 3.764 20 10 GHCDRN CN(C)c1ccc(CNC(=O)NOCc2ccc(C(F)(F)F)cc2)cc1F ZINC000746805660 878881569 /nfs/dbraw/zinc/88/15/69/878881569.db2.gz CHKGXPRYJZWYKQ-UHFFFAOYSA-N 0 0 385.361 3.842 20 10 GHCDRN OC1CCN(c2ccc(CNc3cc(Nc4ccccc4)ncn3)cc2F)CC1 ZINC000853195277 878886279 /nfs/dbraw/zinc/88/62/79/878886279.db2.gz HUKDQDSNIABWHI-UHFFFAOYSA-N 0 0 393.466 3.933 20 10 GHCDRN C[C@@H]([NH2+]CCOCCF)c1cc(Br)cc(Br)c1[O-] ZINC000853238847 878917961 /nfs/dbraw/zinc/91/79/61/878917961.db2.gz SQTRUQZQXGOZFX-MRVPVSSYSA-N 0 0 385.071 3.554 20 10 GHCDRN CN1CCCc2cc(CNC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)ccc21 ZINC000746808832 878925512 /nfs/dbraw/zinc/92/55/12/878925512.db2.gz LYAWNGCZIWIZMR-NRFANRHFSA-N 0 0 380.488 3.557 20 10 GHCDRN Cc1c(C(=O)NCc2ccc3c(c2)CCCN3C)cnn1-c1ccc(F)cc1F ZINC000746811349 878928203 /nfs/dbraw/zinc/92/82/03/878928203.db2.gz APNXZQFGKBJSQY-UHFFFAOYSA-N 0 0 396.441 3.771 20 10 GHCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]CCOC(F)(F)F ZINC000789579985 879080415 /nfs/dbraw/zinc/08/04/15/879080415.db2.gz 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CRSSJABHGNEIMD-IBGZPJMESA-N 0 0 378.444 3.669 20 10 GHCDRN COC(=O)c1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])c(F)c1 ZINC000806258404 884511565 /nfs/dbraw/zinc/51/15/65/884511565.db2.gz MUPKFZSTJRWTGS-UHFFFAOYSA-N 0 0 387.194 3.946 20 10 GHCDRN CCCCC[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C(C)(C)C ZINC000806324021 884586965 /nfs/dbraw/zinc/58/69/65/884586965.db2.gz HDVAPMZTOJOVNM-FQEVSTJZSA-N 0 0 385.552 3.790 20 10 GHCDRN Cc1c(NC(=O)NCc2cc(Br)ccc2O)cccc1N(C)C ZINC000806392771 884620391 /nfs/dbraw/zinc/62/03/91/884620391.db2.gz VDTYBYIEFUMWLX-UHFFFAOYSA-N 0 0 378.270 3.851 20 10 GHCDRN [O-]c1c(C[NH2+]CC2(c3ccccc3)CC(O)(C(F)(F)F)C2)ccc(F)c1F ZINC000898162950 884623784 /nfs/dbraw/zinc/62/37/84/884623784.db2.gz YTTOLKLKZFATQV-UHFFFAOYSA-N 0 0 387.348 3.785 20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)N3Cc4ccccc4CO3)cc2F)C[C@H](C)O1 ZINC000806457600 884726906 /nfs/dbraw/zinc/72/69/06/884726906.db2.gz PHTOEYKTTCYHIM-HOTGVXAUSA-N 0 0 399.466 3.596 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)c1 ZINC000860516694 884756481 /nfs/dbraw/zinc/75/64/81/884756481.db2.gz KERFBNHVASKCEX-UHFFFAOYSA-N 0 0 381.476 3.577 20 10 GHCDRN CC(=O)c1cc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1F ZINC000806580995 884799389 /nfs/dbraw/zinc/79/93/89/884799389.db2.gz IKGGHCKPIITCFC-UHFFFAOYSA-N 0 0 399.466 3.559 20 10 GHCDRN Cc1cc(C(=O)OCC(=O)N(C)[C@@H]2CCCC[C@H]2C)c(C)n1-c1ccccn1 ZINC000919076128 884846516 /nfs/dbraw/zinc/84/65/16/884846516.db2.gz CKZJPMVJGNIQBX-DNVCBOLYSA-N 0 0 383.492 3.683 20 10 GHCDRN COc1cccc(CNC(=O)N[C@@H](c2ccccc2)c2ccccc2OC)c1O ZINC000174801308 884891004 /nfs/dbraw/zinc/89/10/04/884891004.db2.gz SKGOSBAJZASKSS-NRFANRHFSA-N 0 0 392.455 3.998 20 10 GHCDRN Cc1cc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c(C)n1-c1ccccn1 ZINC000914846950 884930808 /nfs/dbraw/zinc/93/08/08/884930808.db2.gz DNCLCVKDEYEMSD-MRXNPFEDSA-N 0 0 386.459 3.561 20 10 GHCDRN COCCN(CCc1ccccc1)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000914848210 884936988 /nfs/dbraw/zinc/93/69/88/884936988.db2.gz MDGXGIFSZCFPGX-UHFFFAOYSA-N 0 0 377.488 3.820 20 10 GHCDRN COC(=O)C[C@@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)c1cccs1 ZINC000914849463 884940707 /nfs/dbraw/zinc/94/07/07/884940707.db2.gz KGMJOUDHYJFDDA-MRXNPFEDSA-N 0 0 383.473 3.585 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)COc2cc(Cl)ccc2C)cc1 ZINC001130744869 884984725 /nfs/dbraw/zinc/98/47/25/884984725.db2.gz KZGLKJVATFFFAS-UHFFFAOYSA-N 0 0 376.884 3.631 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccc(C)c(-c3cnn(C)c3)c2)cc1 ZINC001130748833 884992362 /nfs/dbraw/zinc/99/23/62/884992362.db2.gz XJZMJYNTMVABKI-UHFFFAOYSA-N 0 0 392.503 3.613 20 10 GHCDRN Cc1cc(C(=O)COC(=O)CCOC[C@H]2CCCO2)c(C)n1-c1ccccc1C ZINC000919151448 885006749 /nfs/dbraw/zinc/00/67/49/885006749.db2.gz QRAHWHLJEXMIRL-LJQANCHMSA-N 0 0 399.487 3.714 20 10 GHCDRN CCc1c(C(=O)OCC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cnn1C ZINC000919174993 885031775 /nfs/dbraw/zinc/03/17/75/885031775.db2.gz WGGBZRRXEYOVMW-UHFFFAOYSA-N 0 0 379.460 3.738 20 10 GHCDRN CCCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1Sc1nccs1 ZINC000914863177 885035006 /nfs/dbraw/zinc/03/50/06/885035006.db2.gz MAOMVHWJAVJEGE-UHFFFAOYSA-N 0 0 396.563 3.694 20 10 GHCDRN COCCn1c(C)c(C)c2cc(-c3nc(CN(C(=O)OC)C4CC4)no3)ccc21 ZINC000761960198 885048963 /nfs/dbraw/zinc/04/89/63/885048963.db2.gz GAJJLPJQWKJPSG-UHFFFAOYSA-N 0 0 398.463 3.685 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)C1 ZINC000860870455 885068305 /nfs/dbraw/zinc/06/83/05/885068305.db2.gz QDKYNMSVLMEHHO-GJZGRUSLSA-N 0 0 382.460 3.707 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H]1CCCCC1(C)C ZINC000806877356 885076817 /nfs/dbraw/zinc/07/68/17/885076817.db2.gz VSNVCYVKJSQSLD-HXUWFJFHSA-N 0 0 385.552 3.720 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000761982440 885085272 /nfs/dbraw/zinc/08/52/72/885085272.db2.gz LJAOOGNPOJCLGY-LLVKDONJSA-N 0 0 394.811 3.609 20 10 GHCDRN Cc1noc(C(F)F)c1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000761981039 885085761 /nfs/dbraw/zinc/08/57/61/885085761.db2.gz FQOQRLDGRXKGAE-CYBMUJFWSA-N 0 0 399.825 3.674 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCSC3(CCOCC3)C2)c1 ZINC000860910934 885095168 /nfs/dbraw/zinc/09/51/68/885095168.db2.gz VWYLSPWFHMZAOC-UHFFFAOYSA-N 0 0 398.528 3.645 20 10 GHCDRN Cc1cc(C(=O)O[C@H](C(=O)N2CCC[C@@H](C)C2)C(C)C)c(C)n1-c1ccccn1 ZINC000914903559 885136507 /nfs/dbraw/zinc/13/65/07/885136507.db2.gz ODGNYDHWFOCENC-IERDGZPVSA-N 0 0 397.519 3.929 20 10 GHCDRN CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000914906131 885141389 /nfs/dbraw/zinc/14/13/89/885141389.db2.gz LBZMTVRKFVSOAG-ZWKOTPCHSA-N 0 0 383.492 3.826 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc(Br)cc1O ZINC001299479570 912902859 /nfs/dbraw/zinc/90/28/59/912902859.db2.gz YCSGUNNKMNZXCX-ZDUSSCGKSA-N 0 0 391.309 3.890 20 10 GHCDRN Cc1cc(C(=O)OCc2noc(-c3cccs3)n2)c(C)n1-c1ccccn1 ZINC000914908226 885159576 /nfs/dbraw/zinc/15/95/76/885159576.db2.gz ZHKFVDOTMJZINU-UHFFFAOYSA-N 0 0 380.429 3.958 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)c1 ZINC000861073184 885222608 /nfs/dbraw/zinc/22/26/08/885222608.db2.gz ODWSDTQSBLOZMA-UHFFFAOYSA-N 0 0 393.846 3.651 20 10 GHCDRN CSc1nc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c2ccccn21 ZINC000117974805 885233429 /nfs/dbraw/zinc/23/34/29/885233429.db2.gz QIXSWUFENDGGOB-MRXNPFEDSA-N 0 0 397.500 3.583 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000807099244 885240888 /nfs/dbraw/zinc/24/08/88/885240888.db2.gz OTCZMUKOEUWLQR-OAHLLOKOSA-N 0 0 387.911 3.550 20 10 GHCDRN CC[C@@H]1CCC[C@H](NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000807167426 885273687 /nfs/dbraw/zinc/27/36/87/885273687.db2.gz ZYSVDNFECPPTQS-AEFFLSMTSA-N 0 0 384.476 3.599 20 10 GHCDRN CCN(CC)c1ccc(CN[C@H](CS(C)(=O)=O)c2ccccc2)cc1F ZINC000154948189 885275078 /nfs/dbraw/zinc/27/50/78/885275078.db2.gz PZUIEKSLERNGMY-LJQANCHMSA-N 0 0 378.513 3.547 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2ccc(N(C)C)nc2)c(C)n1-c1ccc(F)cc1 ZINC000914964626 885287326 /nfs/dbraw/zinc/28/73/26/885287326.db2.gz DYVQCDDDHCRFDZ-UHFFFAOYSA-N 0 0 395.434 3.734 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc3c(c2)CN(CC(F)(F)F)C3)c1 ZINC000861172987 885296133 /nfs/dbraw/zinc/29/61/33/885296133.db2.gz AXEGHDPLJJKHMS-UHFFFAOYSA-N 0 0 379.382 3.900 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)N3CC4(C3)CCCOC4)cc2Cl)C1 ZINC000807209369 885297248 /nfs/dbraw/zinc/29/72/48/885297248.db2.gz JEUDDPPAYPDJNE-INIZCTEOSA-N 0 0 391.943 3.898 20 10 GHCDRN COc1ccc(Br)c(CN(C)Cc2cc(OC)c(OC)cc2O)c1 ZINC000762067681 885321059 /nfs/dbraw/zinc/32/10/59/885321059.db2.gz WOJNAZLTSQWTQZ-UHFFFAOYSA-N 0 0 396.281 3.813 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](CC)c1ccc(F)cc1F ZINC000807265349 885331739 /nfs/dbraw/zinc/33/17/39/885331739.db2.gz AAUMODHZKQUUAJ-SFHVURJKSA-N 0 0 390.430 3.677 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)CCC(C)(C)C ZINC000807276568 885338189 /nfs/dbraw/zinc/33/81/89/885338189.db2.gz YCRONIJXVDQERS-KRWDZBQOSA-N 0 0 375.557 3.821 20 10 GHCDRN COC(=O)C(C)(C)CCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000807303985 885360125 /nfs/dbraw/zinc/36/01/25/885360125.db2.gz ZKNMYWJLBTXCIO-UHFFFAOYSA-N 0 0 396.447 3.746 20 10 GHCDRN CC(C)(C)c1cc(O)c(O)c(CN2CCN(c3nc(F)c(F)cc3F)CC2)c1 ZINC000762100781 885378134 /nfs/dbraw/zinc/37/81/34/885378134.db2.gz TVCMPRJFPNFFLL-UHFFFAOYSA-N 0 0 395.425 3.530 20 10 GHCDRN O=C(Nc1ccc2c(c1)COC(=O)N2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000861473535 885542455 /nfs/dbraw/zinc/54/24/55/885542455.db2.gz HRVJKUFVSGQJRF-QGZVFWFLSA-N 0 0 397.431 3.667 20 10 GHCDRN O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000807652575 885610847 /nfs/dbraw/zinc/61/08/47/885610847.db2.gz XBJRNYGAQWUDEQ-ZHALLVOQSA-N 0 0 396.487 3.599 20 10 GHCDRN C[C@@H](NC(=O)C(=O)N(C)[C@H](C)c1cc2ccccc2o1)c1ccc(N(C)C)cc1 ZINC000807671439 885612392 /nfs/dbraw/zinc/61/23/92/885612392.db2.gz PDGBSWDGPDDJBV-HZPDHXFCSA-N 0 0 393.487 3.896 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-n2nc(C)cc2C)nc1 ZINC000915063085 885626176 /nfs/dbraw/zinc/62/61/76/885626176.db2.gz AROVBKSYSRGAGP-UHFFFAOYSA-N 0 0 377.492 3.612 20 10 GHCDRN C[C@H](NC(=O)C(=O)N1CCC[C@H]1/C=C/c1ccccc1)c1ccc(N(C)C)cc1 ZINC000807678201 885628204 /nfs/dbraw/zinc/62/82/04/885628204.db2.gz VQSYXFUPXOHCFM-AUPOLJPDSA-N 0 0 391.515 3.634 20 10 GHCDRN COCCOCc1ccc(NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)cc1 ZINC000861566973 885652313 /nfs/dbraw/zinc/65/23/13/885652313.db2.gz WZYHCDKOVPVPTJ-GOSISDBHSA-N 0 0 399.535 3.977 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC(c2c[nH]nc2C)CC1 ZINC000861591534 885672004 /nfs/dbraw/zinc/67/20/04/885672004.db2.gz XKZZAUXJALWLPF-UHFFFAOYSA-N 0 0 390.487 3.958 20 10 GHCDRN Cc1ccn2ncnc2c1NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000888184956 885672121 /nfs/dbraw/zinc/67/21/21/885672121.db2.gz SYLGOYNDKCFQIC-UHFFFAOYSA-N 0 0 378.480 3.692 20 10 GHCDRN CCOC1CC2(C1)CCN(C(=O)c1ccccc1-n1c(C)cc(C=O)c1C)C2 ZINC000861682232 885758656 /nfs/dbraw/zinc/75/86/56/885758656.db2.gz SGPNGIVMNZCTDX-UHFFFAOYSA-N 0 0 380.488 3.938 20 10 GHCDRN CCCN(C)c1ccccc1NC(=O)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000861693614 885770580 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ZINC000810243751 888342649 /nfs/dbraw/zinc/34/26/49/888342649.db2.gz STCABJPOPDTOLB-ZETCQYMHSA-N 0 0 376.707 3.861 20 10 GHCDRN O=C(Cc1cncn1Cc1ccccc1)NCc1ccc(N2CCCCC2)cc1 ZINC000810247612 888348443 /nfs/dbraw/zinc/34/84/43/888348443.db2.gz VQPXPSIUHNIIQA-UHFFFAOYSA-N 0 0 388.515 3.781 20 10 GHCDRN CCOCc1nc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)no1 ZINC000810255673 888358289 /nfs/dbraw/zinc/35/82/89/888358289.db2.gz RGGHUGUGQHESRZ-KBPBESRZSA-N 0 0 394.903 3.508 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1c2c(cc3c1CCC3)CCC2 ZINC000810320632 888392289 /nfs/dbraw/zinc/39/22/89/888392289.db2.gz GFZKIKUGBGZNHC-UHFFFAOYSA-N 0 0 391.515 3.822 20 10 GHCDRN C[C@@H]([NH2+][C@H](CO)c1ccccc1OC(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000794842669 888422800 /nfs/dbraw/zinc/42/28/00/888422800.db2.gz SBACQMSUXWQERH-YMTOWFKASA-N 0 0 377.309 3.953 20 10 GHCDRN C[C@H](CNC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000794850646 888445056 /nfs/dbraw/zinc/44/50/56/888445056.db2.gz AZOUKGBMAVQNAB-QGZVFWFLSA-N 0 0 389.540 3.796 20 10 GHCDRN CC[C@H]1[C@H](C(=O)NCCCSc2nccs2)CCN1C(=O)OC(C)(C)C ZINC000810398528 888464658 /nfs/dbraw/zinc/46/46/58/888464658.db2.gz MMNPNRXFNMJYPN-KGLIPLIRSA-N 0 0 399.582 3.777 20 10 GHCDRN O=C(Cc1cccc2cccnc21)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000153779032 888557308 /nfs/dbraw/zinc/55/73/08/888557308.db2.gz NRQKFIKDAKJYKR-HXUWFJFHSA-N 0 0 376.456 3.691 20 10 GHCDRN CCOC(=O)c1ccc(NC(=S)NNc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000916023475 888637055 /nfs/dbraw/zinc/63/70/55/888637055.db2.gz YZNUZJJWBILLQJ-UHFFFAOYSA-N 0 0 394.840 3.738 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc2cccc(O)c21 ZINC000865953299 888662921 /nfs/dbraw/zinc/66/29/21/888662921.db2.gz HDKOOUIXGJQTTG-UHFFFAOYSA-N 0 0 390.483 3.684 20 10 GHCDRN CN1C(=O)CC[C@@H](C(=O)Nc2ccc(N)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000237062004 888672494 /nfs/dbraw/zinc/67/24/94/888672494.db2.gz XWPJWGZZZQKTFB-SJLPKXTDSA-N 0 0 391.393 3.836 20 10 GHCDRN CC(C)C(=O)N1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000916149196 888785710 /nfs/dbraw/zinc/78/57/10/888785710.db2.gz QYNINBXXGKXRTH-UHFFFAOYSA-N 0 0 393.491 3.841 20 10 GHCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1noc2c1COCC2 ZINC000916186800 888820807 /nfs/dbraw/zinc/82/08/07/888820807.db2.gz NHNCSUMDBMWNDC-UHFFFAOYSA-N 0 0 399.472 3.694 20 10 GHCDRN Cc1cc(CCNC(=O)N(C[C@@H]2CCOC2)C2CC2)c(C)n1-c1ccccc1 ZINC000916221020 888839955 /nfs/dbraw/zinc/83/99/55/888839955.db2.gz KWYDRKDFOQPAKC-IBGZPJMESA-N 0 0 381.520 3.847 20 10 GHCDRN C[C@@H](CCc1ccc(O)cc1)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000916235113 888843340 /nfs/dbraw/zinc/84/33/40/888843340.db2.gz AEWHXOUCVFZOBF-UWJYYQICSA-N 0 0 398.503 3.810 20 10 GHCDRN CC[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1OC ZINC000916493826 889058331 /nfs/dbraw/zinc/05/83/31/889058331.db2.gz QOSOSPIXQSQILH-NRFANRHFSA-N 0 0 397.519 3.825 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)CCCn2c3ccccc3oc2=O)cc1 ZINC000916502149 889074765 /nfs/dbraw/zinc/07/47/65/889074765.db2.gz APZLBVDQBKWTRV-UHFFFAOYSA-N 0 0 381.476 3.537 20 10 GHCDRN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000916503011 889076491 /nfs/dbraw/zinc/07/64/91/889076491.db2.gz ZEXSXBPORRSPSN-XMSQKQJNSA-N 0 0 395.547 3.994 20 10 GHCDRN COc1ccc(N(C)Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1F ZINC000121801565 889157696 /nfs/dbraw/zinc/15/76/96/889157696.db2.gz DDOSUKMZFVYHHP-UHFFFAOYSA-N 0 0 390.415 3.714 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NCC1(c2ccc(F)cc2)CC1 ZINC000916623556 889197754 /nfs/dbraw/zinc/19/77/54/889197754.db2.gz YKYMGRUVLZRJOF-UHFFFAOYSA-N 0 0 399.535 3.910 20 10 GHCDRN COC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc1 ZINC000916662579 889290381 /nfs/dbraw/zinc/29/03/81/889290381.db2.gz DRGPYVGMMDFICS-GZTJUZNOSA-N 0 0 399.493 3.953 20 10 GHCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccccc1SCc1cscn1 ZINC000122035325 889315007 /nfs/dbraw/zinc/31/50/07/889315007.db2.gz CBFTVGKNXSPUGU-UHFFFAOYSA-N 0 0 386.498 3.819 20 10 GHCDRN Cc1ccc(CNC(=O)N[C@H](C)c2ccccc2O)c(OC[C@H]2CCOC2)c1 ZINC000868385540 889419217 /nfs/dbraw/zinc/41/92/17/889419217.db2.gz UINHSYJZFRXFJG-SJORKVTESA-N 0 0 384.476 3.676 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N(C)Cc3ncc[nH]3)cc2Cl)C1 ZINC000868581507 889511932 /nfs/dbraw/zinc/51/19/32/889511932.db2.gz HTVCKBLPYLUOTJ-CQSZACIVSA-N 0 0 375.904 3.641 20 10 GHCDRN O=[N+]([O-])c1cc(CN2CC[C@H](n3cc(Cl)cn3)C2)ccc1N1CCCCC1 ZINC000811520321 889674249 /nfs/dbraw/zinc/67/42/49/889674249.db2.gz MZCHGBGIYNJPTM-KRWDZBQOSA-N 0 0 389.887 3.882 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2COc3ccccc3[C@H]2O)c(C)n1-c1cccc(C)c1 ZINC000811578011 889757721 /nfs/dbraw/zinc/75/77/21/889757721.db2.gz GDLICQYHVHMZJN-RBBKRZOGSA-N 0 0 376.456 3.627 20 10 GHCDRN CN(C)c1ccc(CNC(=O)NCc2cccc(COCC(F)(F)F)c2)cc1 ZINC000122451006 889800795 /nfs/dbraw/zinc/80/07/95/889800795.db2.gz BEYIONBKIYNTHR-UHFFFAOYSA-N 0 0 395.425 3.831 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000122520414 889868648 /nfs/dbraw/zinc/86/86/48/889868648.db2.gz MPWBHFCSVPYQHP-UHFFFAOYSA-N 0 0 392.459 3.845 20 10 GHCDRN CCCOc1ccc(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)cc1 ZINC000811702457 889907389 /nfs/dbraw/zinc/90/73/89/889907389.db2.gz BJYSWUMKTPABLK-UHFFFAOYSA-N 0 0 379.478 3.907 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000173609446 890080147 /nfs/dbraw/zinc/08/01/47/890080147.db2.gz YINUSMUQEBNRQI-UHFFFAOYSA-N 0 0 379.464 3.671 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000916702987 890112138 /nfs/dbraw/zinc/11/21/38/890112138.db2.gz BBRKPEXROFZLOD-LJQANCHMSA-N 0 0 389.540 3.891 20 10 GHCDRN COc1cccc(C2(CNC(=O)NCc3ccc4c(c3)CCCN4C)CC2)c1 ZINC000811920437 890118219 /nfs/dbraw/zinc/11/82/19/890118219.db2.gz MPSAAUOZGQCUBA-UHFFFAOYSA-N 0 0 379.504 3.609 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cnn(C)c1C(F)(F)F ZINC000916732629 890145556 /nfs/dbraw/zinc/14/55/56/890145556.db2.gz YEWWSOWMLICVEY-UHFFFAOYSA-N 0 0 380.414 3.701 20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)NC3(C(F)F)CCCC3)cc2F)C[C@H](C)O1 ZINC000812009310 890197869 /nfs/dbraw/zinc/19/78/69/890197869.db2.gz NVZCIUSEWGRHQU-KBPBESRZSA-N 0 0 399.457 3.816 20 10 GHCDRN C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1CCC1 ZINC000123045812 890306399 /nfs/dbraw/zinc/30/63/99/890306399.db2.gz OZQSGTZZGKXSRV-CYBMUJFWSA-N 0 0 385.430 3.530 20 10 GHCDRN CC(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1ccccc1O ZINC000812210133 890434513 /nfs/dbraw/zinc/43/45/13/890434513.db2.gz JECPPLLYIRSANU-FQEVSTJZSA-N 0 0 394.475 3.789 20 10 GHCDRN Cn1cc(C(=O)CSc2ncc(-c3ccccc3)n2CC(F)(F)F)cn1 ZINC000123369713 890560893 /nfs/dbraw/zinc/56/08/93/890560893.db2.gz CPNDQNRWGGTNCD-UHFFFAOYSA-N 0 0 380.395 3.821 20 10 GHCDRN CCOc1ccc([C@H](C)NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000123480646 890649755 /nfs/dbraw/zinc/64/97/55/890649755.db2.gz YONRGCXVEPRIHJ-SFHVURJKSA-N 0 0 397.519 3.825 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)NCc3nccc(C(F)F)n3)cc2)CC1 ZINC000287678274 913480406 /nfs/dbraw/zinc/48/04/06/913480406.db2.gz LNYHOWIEVVQHDM-UHFFFAOYSA-N 0 0 389.450 3.650 20 10 GHCDRN Cc1cc(C(=O)COC(=O)CCc2cncnc2)c(C)n1-c1ccc(C)cc1 ZINC000796165422 913482169 /nfs/dbraw/zinc/48/21/69/913482169.db2.gz LPWVYRZTKBSJRP-UHFFFAOYSA-N 0 0 377.444 3.551 20 10 GHCDRN CC[C@@H]([NH2+]C1CCN(S(=O)(=O)CC)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287706108 913497451 /nfs/dbraw/zinc/49/74/51/913497451.db2.gz NVUGRPNTVPXBBA-OAHLLOKOSA-N 0 0 395.352 3.554 20 10 GHCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)N1CCC2(CCCCO2)CC1 ZINC000888582102 890913183 /nfs/dbraw/zinc/91/31/83/890913183.db2.gz VXRURNFMLQOUPM-UHFFFAOYSA-N 0 0 391.475 3.963 20 10 GHCDRN C[C@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1ccc2ccccc2c1O ZINC000812742520 890923434 /nfs/dbraw/zinc/92/34/34/890923434.db2.gz VTYNVQSGFOVDRE-INIZCTEOSA-N 0 0 375.472 3.650 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000123685045 890924146 /nfs/dbraw/zinc/92/41/46/890924146.db2.gz XMDCYQOTJKNQCG-UHFFFAOYSA-N 0 0 394.397 3.601 20 10 GHCDRN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000812780130 890959944 /nfs/dbraw/zinc/95/99/44/890959944.db2.gz SZHSZZDYEKWQDP-FQEVSTJZSA-N 0 0 390.321 3.972 20 10 GHCDRN CN(C)c1ccc(CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2CC2)cc1 ZINC000917073883 890964408 /nfs/dbraw/zinc/96/44/08/890964408.db2.gz GLXAUJXNFIFKIK-UHFFFAOYSA-N 0 0 383.448 3.692 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccc(S(=O)(=O)C(F)F)cc2)C2CC2)cc1 ZINC000917074303 890966989 /nfs/dbraw/zinc/96/69/89/890966989.db2.gz WOVDBFCIFPYYLE-UHFFFAOYSA-N 0 0 394.487 3.914 20 10 GHCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)N1CC[C@H](C2CCOCC2)C1 ZINC000888588892 891066954 /nfs/dbraw/zinc/06/69/54/891066954.db2.gz ANODCJHJLUTBED-KRWDZBQOSA-N 0 0 391.475 3.677 20 10 GHCDRN COCC[C@H]1COCCN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000812888133 891068692 /nfs/dbraw/zinc/06/86/92/891068692.db2.gz RJXFIJYRHCZLTJ-FQEVSTJZSA-N 0 0 382.464 3.778 20 10 GHCDRN COC(=O)/C=C/c1ccc(N(C)Cc2ccn(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000917090569 891089217 /nfs/dbraw/zinc/08/92/17/891089217.db2.gz YPAUJLWEVMGFNO-PKNBQFBNSA-N 0 0 392.415 3.603 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNc3nc4ccccn4c3[N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000917086985 891110373 /nfs/dbraw/zinc/11/03/73/891110373.db2.gz RLEBCKMXKCHKGJ-ZIAGYGMSSA-N 0 0 399.426 3.607 20 10 GHCDRN COC(=O)/C=C\c1ccc(N2CCCC[C@H]2c2noc(C3CC3)n2)c([N+](=O)[O-])c1 ZINC000917093022 891138353 /nfs/dbraw/zinc/13/83/53/891138353.db2.gz CLIUJDITCASVKV-DIEDAUMRSA-N 0 0 398.419 3.773 20 10 GHCDRN CSc1nc(Cl)c(F)c(NCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000872602913 891286189 /nfs/dbraw/zinc/28/61/89/891286189.db2.gz JNYHVZZDLQPOHL-UHFFFAOYSA-N 0 0 382.892 3.564 20 10 GHCDRN CCCn1ccc2cc(NC(=O)C(=O)N[C@@H](C)c3cc(OC)ccc3O)ccc21 ZINC000124290350 891367987 /nfs/dbraw/zinc/36/79/87/891367987.db2.gz ZQUZFNMSPRSFAP-AWEZNQCLSA-N 0 0 395.459 3.581 20 10 GHCDRN Cc1cc(C(=O)NCC(=O)N2CCCCC2)c(C)n1-c1cccc(C(C)C)c1 ZINC000917139382 891446280 /nfs/dbraw/zinc/44/62/80/891446280.db2.gz XPGZVUDAOCUJQH-UHFFFAOYSA-N 0 0 381.520 3.960 20 10 GHCDRN CCN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)c1ccccc1 ZINC000917139976 891449897 /nfs/dbraw/zinc/44/98/97/891449897.db2.gz ZVFJSQACTBKGNZ-ROUUACIJSA-N 0 0 399.510 3.582 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)NCc2ccc3oc(=O)[nH]c3c2)cc1 ZINC000873198937 891518986 /nfs/dbraw/zinc/51/89/86/891518986.db2.gz ZMQKPRFIIYYQSF-UHFFFAOYSA-N 0 0 382.464 3.721 20 10 GHCDRN COC(=O)c1cc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)oc1C ZINC000209221838 891523799 /nfs/dbraw/zinc/52/37/99/891523799.db2.gz FQTQJJMFHXESFE-RIYZIHGNSA-N 0 0 377.418 3.920 20 10 GHCDRN Cc1c(NC(=O)NCc2ccc(N(C)C)c(F)c2)cccc1C(=O)N1CCCC1 ZINC000154330194 891640725 /nfs/dbraw/zinc/64/07/25/891640725.db2.gz QYTGVIDBGMJCMQ-UHFFFAOYSA-N 0 0 398.482 3.758 20 10 GHCDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1ccc(N2CCCCC2)cc1 ZINC000813425967 891640775 /nfs/dbraw/zinc/64/07/75/891640775.db2.gz WHNPIKNKCRFHCA-UHFFFAOYSA-N 0 0 389.402 3.722 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813514168 891698584 /nfs/dbraw/zinc/69/85/84/891698584.db2.gz YIEGRXAXSRMKCT-MRVPVSSYSA-N 0 0 385.203 3.674 20 10 GHCDRN CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000813512912 891698619 /nfs/dbraw/zinc/69/86/19/891698619.db2.gz BQEDIRWBHIDLFY-BFUOFWGJSA-N 0 0 377.868 3.902 20 10 GHCDRN COc1cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)ccc1OC(F)F ZINC000825686106 891730462 /nfs/dbraw/zinc/73/04/62/891730462.db2.gz SQQBYILMXFXGGT-UHFFFAOYSA-N 0 0 389.402 3.995 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(F)c2C(C)(F)F)cc1 ZINC000873677455 891743779 /nfs/dbraw/zinc/74/37/79/891743779.db2.gz LFKSMCYDOYSCDS-UHFFFAOYSA-N 0 0 393.409 3.601 20 10 GHCDRN O=C(CCc1ccc2ccccc2n1)NCc1cc(Br)ccc1O ZINC000813608496 891808866 /nfs/dbraw/zinc/80/88/66/891808866.db2.gz CONCCYGKWKGUTC-UHFFFAOYSA-N 0 0 385.261 3.952 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@@H]1OCCc2sccc21 ZINC000813612666 891813650 /nfs/dbraw/zinc/81/36/50/891813650.db2.gz FDNYSLGCAFRFPE-XOBRGWDASA-N 0 0 385.533 3.632 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C)c(N2CCCC2)c1 ZINC000873821841 891826866 /nfs/dbraw/zinc/82/68/66/891826866.db2.gz SZIJKTAUQUFUCZ-UHFFFAOYSA-N 0 0 395.503 3.678 20 10 GHCDRN O=[N+]([O-])c1cc(CNCc2nnc(-c3ccccc3)[nH]2)ccc1N1CCCCC1 ZINC000774815594 913618328 /nfs/dbraw/zinc/61/83/28/913618328.db2.gz SJTXHEXOALQODF-UHFFFAOYSA-N 0 0 392.463 3.660 20 10 GHCDRN COc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2O)cc1OC1CCCC1 ZINC000874191770 892027897 /nfs/dbraw/zinc/02/78/97/892027897.db2.gz XJTYRWMHVDKWLQ-CQSZACIVSA-N 0 0 398.459 3.538 20 10 GHCDRN CCCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2O)cc1Cl ZINC000874192195 892028556 /nfs/dbraw/zinc/02/85/56/892028556.db2.gz FSZKTUOINXWGBK-LBPRGKRZSA-N 0 0 376.840 3.650 20 10 GHCDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2O)cc1Cl ZINC000874192597 892028623 /nfs/dbraw/zinc/02/86/23/892028623.db2.gz OTWACGFEVAXWKB-LBPRGKRZSA-N 0 0 376.840 3.649 20 10 GHCDRN C[C@H](NC(=O)C(=O)Nc1ccccc1N1CCCCCC1)c1ccccc1O ZINC000874192450 892029117 /nfs/dbraw/zinc/02/91/17/892029117.db2.gz LUFQKTNKLRJGCU-INIZCTEOSA-N 0 0 381.476 3.589 20 10 GHCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2coc(C(F)(F)F)n2)cc1 ZINC000874254210 892056287 /nfs/dbraw/zinc/05/62/87/892056287.db2.gz MAUQAPUHVNBZRV-OAHLLOKOSA-N 0 0 397.397 3.581 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCO[C@@H](C(F)(F)F)CC3)ccc21 ZINC000874549674 892209887 /nfs/dbraw/zinc/20/98/87/892209887.db2.gz GRBOMMHCBBZHBA-GOSISDBHSA-N 0 0 398.425 3.698 20 10 GHCDRN Cc1cc(C(=O)NC[C@H]2CCCN(C(N)=O)C2)c(C)n1-c1cccc(C(C)C)c1 ZINC000288072156 913646910 /nfs/dbraw/zinc/64/69/10/913646910.db2.gz GBJDBPMVARIFKR-GOSISDBHSA-N 0 0 396.535 3.738 20 10 GHCDRN COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)on1 ZINC000125118132 892296328 /nfs/dbraw/zinc/29/63/28/892296328.db2.gz SKKDHKYAJGAQAS-UHFFFAOYSA-N 0 0 381.432 3.605 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H](NC(=O)CC(C)C)C(C)C)cc1 ZINC000917629181 892305304 /nfs/dbraw/zinc/30/53/04/892305304.db2.gz YFFULSUPQJVDKB-OAQYLSRUSA-N 0 0 375.557 3.678 20 10 GHCDRN CC(=O)c1ccc(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cc1 ZINC000917715425 892417451 /nfs/dbraw/zinc/41/74/51/892417451.db2.gz QQBKTCPSXGFGTP-IYBDPMFKSA-N 0 0 398.478 3.501 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3cc4c(s3)CCC4)cc2F)C[C@H](C)O1 ZINC000917709893 892440683 /nfs/dbraw/zinc/44/06/83/892440683.db2.gz JPMOJPFAUKSHCV-OKILXGFUSA-N 0 0 388.508 3.920 20 10 GHCDRN CCOc1ccccc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000917713507 892445340 /nfs/dbraw/zinc/44/53/40/892445340.db2.gz RRFCFCYLVKAXQS-HZPDHXFCSA-N 0 0 386.467 3.768 20 10 GHCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@H](C(F)(F)F)O1 ZINC000875099109 892447479 /nfs/dbraw/zinc/44/74/79/892447479.db2.gz HXYBMISSPJDEKF-RHSMWYFYSA-N 0 0 385.430 3.538 20 10 GHCDRN CC1(C)CN(C(=O)NCc2ccc(N3CCSCC3)cc2)[C@@H]1c1ccncc1 ZINC000814284252 892489892 /nfs/dbraw/zinc/48/98/92/892489892.db2.gz PETVUPWNOMDJBU-HXUWFJFHSA-N 0 0 396.560 3.928 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N3CC(Cc4cccs4)C3)CC2)cc1 ZINC000875209672 892494039 /nfs/dbraw/zinc/49/40/39/892494039.db2.gz AWTPBYARBSOHKF-UHFFFAOYSA-N 0 0 385.533 3.610 20 10 GHCDRN CCCc1nc(C)c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)o1 ZINC000814327624 892540345 /nfs/dbraw/zinc/54/03/45/892540345.db2.gz OHLMPCKFTVJEBD-ZIAGYGMSSA-N 0 0 389.471 3.618 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCN(C)C[C@@H]3CC(C)C)ccc21 ZINC001134278421 892563353 /nfs/dbraw/zinc/56/33/53/892563353.db2.gz GIXAVWVJHUMRJK-FQEVSTJZSA-N 0 0 385.552 3.707 20 10 GHCDRN CN(C)c1ccc(CNC(=O)c2cc(Br)cc(N(C)C)c2)cc1 ZINC000814376864 892613335 /nfs/dbraw/zinc/61/33/35/892613335.db2.gz GZGOHYIETBCLGF-UHFFFAOYSA-N 0 0 376.298 3.511 20 10 GHCDRN CCCc1cc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)sc1C ZINC000917831806 892623369 /nfs/dbraw/zinc/62/33/69/892623369.db2.gz ADTLSIUEJLHGIW-GOSISDBHSA-N 0 0 399.560 3.641 20 10 GHCDRN O=C(N[C@@H](c1cncc(Br)c1)C1CC1)N1Cc2cccc(O)c2C1 ZINC000875569521 892692788 /nfs/dbraw/zinc/69/27/88/892692788.db2.gz HEFCRJHVVMVWJV-QGZVFWFLSA-N 0 0 388.265 3.726 20 10 GHCDRN Cc1cccc(C)c1NC(=O)CN(C)C(=O)NCCCSc1nccs1 ZINC000154567108 892780703 /nfs/dbraw/zinc/78/07/03/892780703.db2.gz CJHMDSPYQJEXJL-UHFFFAOYSA-N 0 0 392.550 3.522 20 10 GHCDRN C[C@@H]1CN(C(=O)NCCCSc2nccs2)C[C@@H](c2ccccc2)O1 ZINC000154576156 892794108 /nfs/dbraw/zinc/79/41/08/892794108.db2.gz UZFLJCHPSPZRKW-ZBFHGGJFSA-N 0 0 377.535 3.797 20 10 GHCDRN CCCCN(CCCC)S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917926932 892795373 /nfs/dbraw/zinc/79/53/73/892795373.db2.gz UMBGDOCIFQFEIM-UHFFFAOYSA-N 0 0 381.586 3.864 20 10 GHCDRN CCOc1ccc(O)c(CNc2cccc(CS(=O)(=O)N[C@@H](C)CC)c2)c1 ZINC000125596239 892806247 /nfs/dbraw/zinc/80/62/47/892806247.db2.gz LFEADVKJKDVJGW-HNNXBMFYSA-N 0 0 392.521 3.621 20 10 GHCDRN COc1cc(N(C)Cc2cccc(C(=O)N3CCCCC3)c2)cc(OC)c1OC ZINC000125764983 892976146 /nfs/dbraw/zinc/97/61/46/892976146.db2.gz KRHVNMCABJXMTP-UHFFFAOYSA-N 0 0 398.503 3.975 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)NCCCCCNC(=O)OCc1ccccc1 ZINC000288288873 913718513 /nfs/dbraw/zinc/71/85/13/913718513.db2.gz QUVJLWQAGHUPAF-UHFFFAOYSA-N 0 0 399.491 3.630 20 10 GHCDRN C[C@@H]1C[C@H]1c1ccc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000918016240 893011541 /nfs/dbraw/zinc/01/15/41/893011541.db2.gz GCLCDZGMVNVBDJ-OXQOHEQNSA-N 0 0 383.492 3.581 20 10 GHCDRN Cc1cccc2c(CC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c[nH]c21 ZINC000125813273 893022933 /nfs/dbraw/zinc/02/29/33/893022933.db2.gz LJIZLTPGRUPJLK-KRWDZBQOSA-N 0 0 377.488 3.733 20 10 GHCDRN C[C@@H](NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1)c1ccnn1C ZINC000876273968 893046426 /nfs/dbraw/zinc/04/64/26/893046426.db2.gz LVLGWGBTQVDPBU-MRXNPFEDSA-N 0 0 381.480 3.552 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000918071152 893059653 /nfs/dbraw/zinc/05/96/53/893059653.db2.gz PBMABCNIROKAQH-KRWDZBQOSA-N 0 0 385.430 3.540 20 10 GHCDRN C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc2c(c1)OCCO2 ZINC000918058304 893073032 /nfs/dbraw/zinc/07/30/32/893073032.db2.gz KJNUKWNVNPUALN-MRXNPFEDSA-N 0 0 395.503 3.959 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)Nc3cnn(CC(F)F)c3)cc2)CC1 ZINC000174854828 893081488 /nfs/dbraw/zinc/08/14/88/893081488.db2.gz QZVNWWSIKCQARJ-UHFFFAOYSA-N 0 0 377.439 3.706 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)N[C@@H](C)Cc3ccccc3C)CC2)cc1 ZINC000918081567 893091833 /nfs/dbraw/zinc/09/18/33/893091833.db2.gz QCQPHLXDUDNFJY-IBGZPJMESA-N 0 0 381.520 3.857 20 10 GHCDRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)NCCCSc1nccs1 ZINC000154644677 893174235 /nfs/dbraw/zinc/17/42/35/893174235.db2.gz WTAVHAPXHHKRBQ-CANCMXDXSA-N 0 0 397.591 3.765 20 10 GHCDRN OC1CCN(c2ccc(CNc3cncc(-c4cccs4)n3)cc2F)CC1 ZINC000814826548 893207951 /nfs/dbraw/zinc/20/79/51/893207951.db2.gz BHVYKNKLOXPFBO-UHFFFAOYSA-N 0 0 384.480 3.917 20 10 GHCDRN COc1ccc(N(Cc2cn(C[C@@H]3CCOC3)nn2)Cc2ccccc2)cc1 ZINC000876513551 893214856 /nfs/dbraw/zinc/21/48/56/893214856.db2.gz NLIDFSIYFVJBDQ-IBGZPJMESA-N 0 0 378.476 3.530 20 10 GHCDRN CCOC(=O)c1cc2c(NCc3cc(Cl)c4cccnc4c3O)cc[nH]c-2n1 ZINC001168523564 893268099 /nfs/dbraw/zinc/26/80/99/893268099.db2.gz PLWOLGBBGHAMHK-UHFFFAOYSA-N 0 0 396.834 3.681 20 10 GHCDRN Cc1ccc([C@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C2CC2)cc1 ZINC000918200231 893350637 /nfs/dbraw/zinc/35/06/37/893350637.db2.gz ZEOZXBYKHXAEOQ-QFIPXVFZSA-N 0 0 397.494 3.921 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCCC3CCCC3)cc2F)C[C@H](C)O1 ZINC000918212325 893365949 /nfs/dbraw/zinc/36/59/49/893365949.db2.gz KVEOQVQCTHDYJF-IYBDPMFKSA-N 0 0 377.504 3.819 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1cc2c(s1)CCCC2 ZINC000918230056 893374027 /nfs/dbraw/zinc/37/40/27/893374027.db2.gz DPRCNJQENJMQDK-UHFFFAOYSA-N 0 0 399.560 3.805 20 10 GHCDRN CC(C)CN(C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C1CC1 ZINC000918223349 893396835 /nfs/dbraw/zinc/39/68/35/893396835.db2.gz ZWNARXLCCVDTRO-IYBDPMFKSA-N 0 0 377.504 3.769 20 10 GHCDRN CC(=O)c1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cs1 ZINC000815062177 893403797 /nfs/dbraw/zinc/40/37/97/893403797.db2.gz HPQQWORETFDUJG-BETUJISGSA-N 0 0 390.480 3.633 20 10 GHCDRN COc1ccc(OCC(F)(F)C(F)F)c(C(=O)N(C)c2ccc(N)cc2)c1 ZINC000877075294 893470731 /nfs/dbraw/zinc/47/07/31/893470731.db2.gz CCTJWPWKWIMXQE-UHFFFAOYSA-N 0 0 386.345 3.833 20 10 GHCDRN COCCn1cnnc1SCC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000021999806 893479708 /nfs/dbraw/zinc/47/97/08/893479708.db2.gz WGUOQFVXEIRYNU-UHFFFAOYSA-N 0 0 384.505 3.615 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)Cc1cnc2ccccc2n1 ZINC000815131754 893504522 /nfs/dbraw/zinc/50/45/22/893504522.db2.gz LIGCGMJENYXFMU-KRWDZBQOSA-N 0 0 376.504 3.923 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@H](OCC(F)(F)F)C2)c(C)n1-c1ccccn1 ZINC000918336188 893508683 /nfs/dbraw/zinc/50/86/83/893508683.db2.gz VQZXMFGHVMXQBD-HNNXBMFYSA-N 0 0 381.398 3.673 20 10 GHCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccccc1NC(=O)C1CC1 ZINC000815135684 893510155 /nfs/dbraw/zinc/51/01/55/893510155.db2.gz RSBYPALJOQNGON-UHFFFAOYSA-N 0 0 377.488 3.955 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3cc(-c4ccc(C)cc4)n[nH]3)CC2)cc1 ZINC000918368645 893555513 /nfs/dbraw/zinc/55/55/13/893555513.db2.gz ASIOXSNCZWDBMB-UHFFFAOYSA-N 0 0 390.487 3.746 20 10 GHCDRN Cc1cc(C(=O)NCCCN(C)c2ccccc2F)c(C)n1-c1ccccn1 ZINC000918380036 893572237 /nfs/dbraw/zinc/57/22/37/893572237.db2.gz XXAPNEKALGXEPA-UHFFFAOYSA-N 0 0 380.467 3.885 20 10 GHCDRN Cn1ncc(C(=O)OC(C)(C)C)c1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000877529891 893667098 /nfs/dbraw/zinc/66/70/98/893667098.db2.gz NWHVHMVUWHMOPL-UHFFFAOYSA-N 0 0 386.279 3.678 20 10 GHCDRN OC[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cccc(Cl)c1Cl ZINC000877638769 893737717 /nfs/dbraw/zinc/73/77/17/893737717.db2.gz NFCAAYKHNXHUKP-LJQANCHMSA-N 0 0 395.330 3.778 20 10 GHCDRN Cc1nnc([C@@H](C)NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)[nH]1 ZINC000288624935 913823029 /nfs/dbraw/zinc/82/30/29/913823029.db2.gz QLVCAFRFGMOREB-QWHCGFSZSA-N 0 0 390.919 3.563 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1cccc(C(F)(F)F)c1[O-] ZINC000815597251 894034132 /nfs/dbraw/zinc/03/41/32/894034132.db2.gz QTWRPOIWDUSZHN-SKDRFNHKSA-N 0 0 384.320 3.615 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H]2CC(=O)c2cccs2)cc1 ZINC000127323284 894604746 /nfs/dbraw/zinc/60/47/46/894604746.db2.gz WGKULTIAVMRLLM-LJQANCHMSA-N 0 0 399.560 3.510 20 10 GHCDRN CC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccccc1OCC(=O)N(C)C ZINC000816536311 894906068 /nfs/dbraw/zinc/90/60/68/894906068.db2.gz RFXNYHHBZYAWSK-KRWDZBQOSA-N 0 0 394.874 3.893 20 10 GHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000816540685 894911938 /nfs/dbraw/zinc/91/19/38/894911938.db2.gz RZRTWIFSOURVNB-LBPRGKRZSA-N 0 0 393.764 3.733 20 10 GHCDRN CC[C@@H](CO)NC(=O)Cc1ccc(NCc2ccc3ccccc3c2O)cc1 ZINC000816523846 894922362 /nfs/dbraw/zinc/92/23/62/894922362.db2.gz HEFJTPHSBVCSCJ-IBGZPJMESA-N 0 0 378.472 3.587 20 10 GHCDRN CS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1Cl ZINC000816591935 894936680 /nfs/dbraw/zinc/93/66/80/894936680.db2.gz RWJGJZBUKJNXRJ-UHFFFAOYSA-N 0 0 378.252 3.531 20 10 GHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000816566265 894948424 /nfs/dbraw/zinc/94/84/24/894948424.db2.gz QBZGCYAXZPHRCL-CQSZACIVSA-N 0 0 390.821 3.687 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]nc1-c1ccc(OC)cc1 ZINC000218094429 895034471 /nfs/dbraw/zinc/03/44/71/895034471.db2.gz ZAQMUZKJPAYJIG-UHFFFAOYSA-N 0 0 378.476 3.814 20 10 GHCDRN CN(C)c1ccc(CNC(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)cc1 ZINC000760298601 895049464 /nfs/dbraw/zinc/04/94/64/895049464.db2.gz CFCGAGJJORIXPF-UHFFFAOYSA-N 0 0 388.393 3.887 20 10 GHCDRN COCC1(CNC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)CCOCC1 ZINC000816790921 895076227 /nfs/dbraw/zinc/07/62/27/895076227.db2.gz SOZJNWVPJKREBM-UHFFFAOYSA-N 0 0 384.520 3.884 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccnc1-c1cnn(C)c1 ZINC000816825969 895117759 /nfs/dbraw/zinc/11/77/59/895117759.db2.gz RYZIZSVFKXQQSN-UHFFFAOYSA-N 0 0 389.503 3.745 20 10 GHCDRN Cc1cccc2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)c(Cl)nc12 ZINC000816897886 895173419 /nfs/dbraw/zinc/17/34/19/895173419.db2.gz OBLJDYSODXSGMF-UHFFFAOYSA-N 0 0 395.890 3.963 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1conc1C(F)(F)F ZINC000816940876 895225641 /nfs/dbraw/zinc/22/56/41/895225641.db2.gz OLIPDCKIAADVGA-UHFFFAOYSA-N 0 0 393.159 3.824 20 10 GHCDRN Cc1cc(C(=O)N2CCc3c(ncn3-c3ccccc3)C2)c(C)n1-c1ccccn1 ZINC000778454450 895306529 /nfs/dbraw/zinc/30/65/29/895306529.db2.gz LCPCTFLHEJKCCI-UHFFFAOYSA-N 0 0 397.482 3.873 20 10 GHCDRN CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001170858831 895454124 /nfs/dbraw/zinc/45/41/24/895454124.db2.gz RKLLIBYEAZOEDR-UHFFFAOYSA-N 0 0 378.432 3.974 20 10 GHCDRN COC(=O)[C@H](NCc1cc(OC)cc(C(C)(C)C)c1O)[C@H]1CCC[C@@H](OC)C1 ZINC000826142482 895511387 /nfs/dbraw/zinc/51/13/87/895511387.db2.gz CUIWTKUBKWPRQD-ZSZQSSIHSA-N 0 0 393.524 3.535 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@@H](c1ccc(C)cc1)C1CC1 ZINC000565351536 895557327 /nfs/dbraw/zinc/55/73/27/895557327.db2.gz FOPQDTKSOZUTEX-QFIPXVFZSA-N 0 0 389.499 3.679 20 10 GHCDRN CCN(CC)c1ccc(CNS(=O)(=O)CCc2ccc(Cl)cc2)cc1 ZINC001185596802 913981370 /nfs/dbraw/zinc/98/13/70/913981370.db2.gz GBLWWGLUOPXHSZ-UHFFFAOYSA-N 0 0 380.941 3.848 20 10 GHCDRN Cc1cc(C(=O)CN2CC[C@H]([C@H](C)O)C2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000780361775 895614191 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ZINC000797577923 932333332 /nfs/dbraw/zinc/33/33/32/932333332.db2.gz QSNWPILZLKJIQX-WIGWJDOSSA-N 0 0 392.571 3.644 20 10 GHCDRN COc1cc2nc(C)sc2cc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000797621587 932347942 /nfs/dbraw/zinc/34/79/42/932347942.db2.gz GVTSISAGMIXQQS-JTQLQIEISA-N 0 0 387.461 3.777 20 10 GHCDRN COc1ccc(CNC(=O)Nc2ccc(OCc3ccncc3)cc2)c(O)c1 ZINC000797623973 932348398 /nfs/dbraw/zinc/34/83/98/932348398.db2.gz VFFNBPPEZYUPBC-UHFFFAOYSA-N 0 0 379.416 3.697 20 10 GHCDRN COc1ccc(CNC(=O)Nc2ccc(OC3CCOCC3)c(C)c2)c(O)c1 ZINC000797629758 932350198 /nfs/dbraw/zinc/35/01/98/932350198.db2.gz PZGLUOXIWUOFKQ-UHFFFAOYSA-N 0 0 386.448 3.589 20 10 GHCDRN CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1cc(Br)ccc1O ZINC000927017519 932382317 /nfs/dbraw/zinc/38/23/17/932382317.db2.gz WDILUGHPGJKQDG-ZBFHGGJFSA-N 0 0 384.314 3.924 20 10 GHCDRN Cc1cc(OCC(=O)N(Cc2ccco2)Cc2ccccc2O)ccc1[N+](=O)[O-] ZINC000797737653 932388052 /nfs/dbraw/zinc/38/80/52/932388052.db2.gz GMHGSRFLNPJZKH-UHFFFAOYSA-N 0 0 396.399 3.810 20 10 GHCDRN O=C(NCc1ccc(O)c(O)c1)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000797743645 932392149 /nfs/dbraw/zinc/39/21/49/932392149.db2.gz IQIHATWYYWCBEJ-UHFFFAOYSA-N 0 0 378.215 3.520 20 10 GHCDRN CC(C)[C@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cccnc1 ZINC000797833440 932423302 /nfs/dbraw/zinc/42/33/02/932423302.db2.gz CKUVDXIPXHDDME-YVHKJVDXSA-N 0 0 399.510 3.890 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1 ZINC000797886061 932443905 /nfs/dbraw/zinc/44/39/05/932443905.db2.gz HTTBLUYGCDQIKM-ZBFHGGJFSA-N 0 0 395.341 3.734 20 10 GHCDRN C[C@@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1cccc(C(F)(F)F)c1[O-] ZINC000798181236 932554608 /nfs/dbraw/zinc/55/46/08/932554608.db2.gz RTFYRNOTFIDSGZ-UONOGXRCSA-N 0 0 395.425 3.882 20 10 GHCDRN COc1cccc(CNc2cnc3c(c2)C[C@@H](NC(=O)OC(C)(C)C)CC3)c1O ZINC000798276345 932590164 /nfs/dbraw/zinc/59/01/64/932590164.db2.gz DTGWPPGBRFVCCH-INIZCTEOSA-N 0 0 399.491 3.790 20 10 GHCDRN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000798366012 932616218 /nfs/dbraw/zinc/61/62/18/932616218.db2.gz GBGMQBFEVQRPRN-YCZSINBZSA-N 0 0 385.552 3.758 20 10 GHCDRN CN(C)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(F)F)n3C)cc1F ZINC000798413669 932638080 /nfs/dbraw/zinc/63/80/80/932638080.db2.gz VRSJLVOAMMMLTF-UHFFFAOYSA-N 0 0 376.382 3.646 20 10 GHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnc2cnccc2c1 ZINC000798453038 932654444 /nfs/dbraw/zinc/65/44/44/932654444.db2.gz SEDAIHYYIJWPKP-MRXNPFEDSA-N 0 0 398.413 3.630 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cc3cnn(CC)c3nc2C)cc1 ZINC000799301678 932944113 /nfs/dbraw/zinc/94/41/13/932944113.db2.gz SWZHXUKEUOOYNV-UHFFFAOYSA-N 0 0 379.508 3.878 20 10 GHCDRN CCn1ncc2cc(C(=O)NCc3ccc(N4CCC(C)CC4)cc3)c(C)nc21 ZINC000799414692 932995294 /nfs/dbraw/zinc/99/52/94/932995294.db2.gz IUMOASKJNHWFMW-UHFFFAOYSA-N 0 0 391.519 3.926 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2cn3c(n2)CCCC3)c(C)n1-c1ccccc1C ZINC000799584794 933050930 /nfs/dbraw/zinc/05/09/30/933050930.db2.gz LVCZUTGFNXAYKF-UHFFFAOYSA-N 0 0 391.471 3.975 20 10 GHCDRN O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1c[nH]c2cccc(F)c21 ZINC000799764352 933110445 /nfs/dbraw/zinc/11/04/45/933110445.db2.gz CUYSCRLREHUSEC-UHFFFAOYSA-N 0 0 387.480 3.776 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCC(F)(F)C3)cc2F)C[C@H](C)O1 ZINC000799906469 933161577 /nfs/dbraw/zinc/16/15/77/933161577.db2.gz SOYUUKJKIQGVTK-IJEWVQPXSA-N 0 0 384.442 3.881 20 10 GHCDRN Cc1nnc(CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)s1 ZINC000799968291 933193369 /nfs/dbraw/zinc/19/33/69/933193369.db2.gz DGSXMJSYUAEKOK-LBPRGKRZSA-N 0 0 393.944 3.736 20 10 GHCDRN COc1cc([N+](=O)[O-])c(N2CCC(N3CCc4ccccc43)CC2)cc1OC ZINC000799968318 933193475 /nfs/dbraw/zinc/19/34/75/933193475.db2.gz FBTPEGIWLVYVHF-UHFFFAOYSA-N 0 0 383.448 3.644 20 10 GHCDRN COC1CCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CC1 ZINC000799993709 933205501 /nfs/dbraw/zinc/20/55/01/933205501.db2.gz JWSUERLFDUZWQJ-HNNXBMFYSA-N 0 0 379.932 3.897 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)CCc2nc(-c3ccccc3)no2)cc1 ZINC001115855133 933222397 /nfs/dbraw/zinc/22/23/97/933222397.db2.gz YXLBULKAEMCKRX-UHFFFAOYSA-N 0 0 378.476 3.832 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3cccc(-n4ccc(C)n4)c3)CC2)cc1 ZINC001115910786 933240665 /nfs/dbraw/zinc/24/06/65/933240665.db2.gz FDMYEDGZUOPZRW-UHFFFAOYSA-N 0 0 390.487 3.542 20 10 GHCDRN CC(C)(C)OC(=O)N1CCc2c1nccc2C(=O)N1CCCc2ccccc21 ZINC000929097428 933241701 /nfs/dbraw/zinc/24/17/01/933241701.db2.gz RYDCYHQPDLWGAR-UHFFFAOYSA-N 0 0 379.460 3.972 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)c3oc(Br)cc3C)CC2)cc1 ZINC001116350737 933502013 /nfs/dbraw/zinc/50/20/13/933502013.db2.gz LXZWWIDHKUHQHQ-UHFFFAOYSA-N 0 0 393.281 3.712 20 10 GHCDRN CCOc1ccc(N2CCN(Cc3cncc(Br)c3)CC2)cc1 ZINC001116538580 933620418 /nfs/dbraw/zinc/62/04/18/933620418.db2.gz SFNKOMPZTRKROZ-UHFFFAOYSA-N 0 0 376.298 3.565 20 10 GHCDRN Cc1ccc(/C=C/C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)cn1 ZINC000777865957 933786132 /nfs/dbraw/zinc/78/61/32/933786132.db2.gz ADLXXMCOAKZWAP-VYENPZKTSA-N 0 0 375.472 3.546 20 10 GHCDRN Cc1cc(-c2nnc(-c3ccc(-n4cnnn4)cc3)o2)c(C)n1-c1ccccc1 ZINC001117185925 933874528 /nfs/dbraw/zinc/87/45/28/933874528.db2.gz GTZCTJQSUWFUQZ-UHFFFAOYSA-N 0 0 383.415 3.787 20 10 GHCDRN COCC(=O)N[C@H](c1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1)C(C)C ZINC001117204188 933885148 /nfs/dbraw/zinc/88/51/48/933885148.db2.gz XJYLHVUVCPDOBN-IBGZPJMESA-N 0 0 382.464 3.604 20 10 GHCDRN O=S(=O)(c1cccc(NCc2ccc(N3CCCC3)cc2)c1)N1CCCC1 ZINC001117540840 933951291 /nfs/dbraw/zinc/95/12/91/933951291.db2.gz JCLQYPLEVZPWIA-UHFFFAOYSA-N 0 0 385.533 3.683 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cc(C)nc4cc(F)ccc43)C2)cc1 ZINC001118153788 934098858 /nfs/dbraw/zinc/09/88/58/934098858.db2.gz GNCKYLQHXQDDCD-MRXNPFEDSA-N 0 0 393.462 3.947 20 10 GHCDRN CCOc1ccc(N2CCN(Cc3ccncc3Br)CC2)cc1 ZINC001118874344 934273772 /nfs/dbraw/zinc/27/37/72/934273772.db2.gz YJIGVOVYFCBEKN-UHFFFAOYSA-N 0 0 376.298 3.565 20 10 GHCDRN CCOc1cc(CNC(=O)NCc2cc(C)ccc2O)ccc1OC(F)F ZINC001119143153 934312233 /nfs/dbraw/zinc/31/22/33/934312233.db2.gz HIFRXGBGSMSERR-UHFFFAOYSA-N 0 0 380.391 3.700 20 10 GHCDRN COCCCOc1ccc(NC(=O)NCc2cccc(Cl)c2O)cc1OC ZINC000931380983 934532260 /nfs/dbraw/zinc/53/22/60/934532260.db2.gz QKBTZOGSTQCOBV-UHFFFAOYSA-N 0 0 394.855 3.791 20 10 GHCDRN CCOC(=O)[C@@H](N[C@H](C)c1ccccc1O)c1nc(Br)sc1C ZINC000931554520 934613152 /nfs/dbraw/zinc/61/31/52/934613152.db2.gz QLWXRVWBSGTXAU-OTYXRUKQSA-N 0 0 399.310 3.875 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)[C@@]3(C)CCOc4ccccc43)CC2)cc1 ZINC000931577774 934624546 /nfs/dbraw/zinc/62/45/46/934624546.db2.gz CJIDUJRJTQHZBJ-QHCPKHFHSA-N 0 0 380.488 3.521 20 10 GHCDRN Cn1c(C2Sc3ncccc3C2=O)nnc1N1CCC(OC2CCCC2)CC1 ZINC001121460329 934663363 /nfs/dbraw/zinc/66/33/63/934663363.db2.gz FPIPSDNWSQNYCV-UHFFFAOYSA-N 0 0 399.520 3.725 20 10 GHCDRN CC1(C)COc2ccc(NC(=O)NCc3cccc(Cl)c3O)cc2NC1=O ZINC000932228285 934854769 /nfs/dbraw/zinc/85/47/69/934854769.db2.gz HKRDHYTVRLXSTP-UHFFFAOYSA-N 0 0 389.839 3.724 20 10 GHCDRN O=C1C=CSC1c1nnc(N2CCc3ccsc3C2)n1C[C@@H]1CCCO1 ZINC001122867847 935013566 /nfs/dbraw/zinc/01/35/66/935013566.db2.gz STEJCMWPAFQYRD-ZDUSSCGKSA-N 0 0 388.518 3.515 20 10 GHCDRN CCN(c1nnc(C2Sc3ncccc3C2=O)n1C[C@@H]1CCOC1)C(C)C ZINC001123031109 935061637 /nfs/dbraw/zinc/06/16/37/935061637.db2.gz QFIHAUWIFMJLSJ-ZDUSSCGKSA-N 0 0 387.509 3.532 20 10 GHCDRN CC(C)C[C@H](c1nnc(N(C)Cc2ccccc2O)n1CC1CC1)n1ccnc1 ZINC001123397426 935179735 /nfs/dbraw/zinc/17/97/35/935179735.db2.gz QJSJWPNOOHEOPL-LJQANCHMSA-N 0 0 394.523 3.862 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N3CCC(Oc4ccccc4)CC3)C2)cc1 ZINC001123615883 935238042 /nfs/dbraw/zinc/23/80/42/935238042.db2.gz ARMZZBILYWZUSX-GOSISDBHSA-N 0 0 395.503 3.527 20 10 GHCDRN CC(C)(C(=O)NCc1cccc(O)c1O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001123978661 935325611 /nfs/dbraw/zinc/32/56/11/935325611.db2.gz XHDFOJQNAZNTJM-INIZCTEOSA-N 0 0 384.259 3.781 20 10 GHCDRN CCOc1ccc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC001124549798 935411760 /nfs/dbraw/zinc/41/17/60/935411760.db2.gz RNTDHHZJJRHSFI-UHFFFAOYSA-N 0 0 383.448 3.866 20 10 GHCDRN CCOCCOC1CCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC001125181176 935543444 /nfs/dbraw/zinc/54/34/44/935543444.db2.gz HGUPGJJVLRYTKG-UHFFFAOYSA-N 0 0 384.520 3.681 20 10 GHCDRN CCc1ccccc1-n1cnnc1SCC(=O)N[C@@H](C)c1ccccc1O ZINC000827981610 935562907 /nfs/dbraw/zinc/56/29/07/935562907.db2.gz ANJHDNCNYUTFCI-AWEZNQCLSA-N 0 0 382.489 3.505 20 10 GHCDRN Cc1cc(C(=O)CN2CCO[C@@H](c3cccs3)C2)c(C)n1-c1ccc(F)cn1 ZINC000828053038 935570639 /nfs/dbraw/zinc/57/06/39/935570639.db2.gz ONXBMDHZBGFWAA-LJQANCHMSA-N 0 0 399.491 3.946 20 10 GHCDRN C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N2Cc3cccc(O)c3C2)cs1 ZINC000828327817 935612521 /nfs/dbraw/zinc/61/25/21/935612521.db2.gz SSJJHUICOYJCKK-NSHDSACASA-N 0 0 389.477 3.590 20 10 GHCDRN Cc1cc(C(=O)CN(C)[C@@H]2CCCc3c2cnn3C)c(C)n1-c1ccc(F)cn1 ZINC000828443089 935633121 /nfs/dbraw/zinc/63/31/21/935633121.db2.gz PLEPODWTXDXCDI-LJQANCHMSA-N 0 0 395.482 3.554 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)CO[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC001137658425 935680881 /nfs/dbraw/zinc/68/08/81/935680881.db2.gz HMSDLUOGYBUIFI-HSZRJFAPSA-N 0 0 394.515 3.828 20 10 GHCDRN Cc1cc(CN[C@@H](CS(C)(=O)=O)c2ccccc2)ccc1N1CCCCC1 ZINC000828705399 935692283 /nfs/dbraw/zinc/69/22/83/935692283.db2.gz ZJFKMGNZYVNPEE-NRFANRHFSA-N 0 0 386.561 3.861 20 10 GHCDRN Cc1cc(CN[C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)ccc1N1CCCCC1 ZINC000828852578 935727748 /nfs/dbraw/zinc/72/77/48/935727748.db2.gz PTQWNTAFSCYQEW-SFHVURJKSA-N 0 0 395.511 3.640 20 10 GHCDRN CC(=O)Nc1ccccc1C(F)(F)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000828860752 935729977 /nfs/dbraw/zinc/72/99/77/935729977.db2.gz GTDSDKRICUNUGS-ZDUSSCGKSA-N 0 0 375.419 3.680 20 10 GHCDRN CC(=O)Nc1ccccc1C(F)(F)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000828860751 935730034 /nfs/dbraw/zinc/73/00/34/935730034.db2.gz GTDSDKRICUNUGS-CYBMUJFWSA-N 0 0 375.419 3.680 20 10 GHCDRN CCn1nc(C)c(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)n1 ZINC000828965521 935747670 /nfs/dbraw/zinc/74/76/70/935747670.db2.gz QLIHSJSQRNUACQ-KRWDZBQOSA-N 0 0 383.521 3.941 20 10 GHCDRN Cc1ccc([C@@H](Cn2ccnc2)NC(=O)c2ccc(N=NC(N)=O)cc2)c(C)c1 ZINC001137731046 935754019 /nfs/dbraw/zinc/75/40/19/935754019.db2.gz XSFMXSSOCQTHHW-LJQANCHMSA-N 0 0 390.447 3.834 20 10 GHCDRN COCc1csc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000829027589 935756283 /nfs/dbraw/zinc/75/62/83/935756283.db2.gz UOZCOEPKAUAZHK-CQSZACIVSA-N 0 0 396.459 3.895 20 10 GHCDRN Cc1cc(C(=O)CN2CCc3ncsc3C2)c(C)n1-c1ccc(Cl)cn1 ZINC000829108293 935768456 /nfs/dbraw/zinc/76/84/56/935768456.db2.gz WJWFDYFUQQVDJG-UHFFFAOYSA-N 0 0 386.908 3.840 20 10 GHCDRN COc1ccc(N2CCN(Cc3nc(Br)cs3)CC2)c(C)c1 ZINC001137783424 935787428 /nfs/dbraw/zinc/78/74/28/935787428.db2.gz UIFYEEZUIRLGIB-UHFFFAOYSA-N 0 0 382.327 3.545 20 10 GHCDRN O=C1N(CC2CC2)c2ccccc2C12CC[NH+](Cc1c([O-])cccc1F)CC2 ZINC001137834483 935813684 /nfs/dbraw/zinc/81/36/84/935813684.db2.gz IJFQPLCZOSESGG-UHFFFAOYSA-N 0 0 380.463 3.822 20 10 GHCDRN CCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1c([O-])cccc1F)CC2 ZINC001137835349 935814671 /nfs/dbraw/zinc/81/46/71/935814671.db2.gz DZVFNYAKYQQVIH-SFHVURJKSA-N 0 0 382.479 3.902 20 10 GHCDRN Cc1cc(-c2csc(CCN3CCOC3=O)n2)c(C)n1-c1ccc(F)cn1 ZINC000829614061 935834140 /nfs/dbraw/zinc/83/41/40/935834140.db2.gz DYVYFAYZOCKQJS-UHFFFAOYSA-N 0 0 386.452 3.746 20 10 GHCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)c1[O-] ZINC000829739323 935854183 /nfs/dbraw/zinc/85/41/83/935854183.db2.gz JJHPUSJUJRQALW-GFCCVEGCSA-N 0 0 387.867 3.629 20 10 GHCDRN COC(=O)c1c(C[NH2+][C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c2cc(F)ccc2n1C ZINC001593867124 955591705 /nfs/dbraw/zinc/59/17/05/955591705.db2.gz ZEBVMWSPFPIGRW-FUHWJXTLSA-N 0 0 396.418 3.507 20 10 GHCDRN COc1cccc(C(F)(F)C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC001460986295 1069320010 /nfs/dbraw/zinc/32/00/10/1069320010.db2.gz VTDORYQHIIMPRQ-OAHLLOKOSA-N 0 0 376.447 3.909 20 10 GHCDRN CC(C)Oc1ccc([C@H](C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)N(C)C)cc1 ZINC001591777008 975930899 /nfs/dbraw/zinc/93/08/99/975930899.db2.gz WRMXQCBLOQQPBH-YWZLYKJASA-N 0 0 386.492 3.831 20 10 GHCDRN CC(C)n1ncc2c1[C@H]([NH2+]Cc1c3cc(F)ccc3n(C)c1C(=O)[O-])CCC2 ZINC001592158607 977038894 /nfs/dbraw/zinc/03/88/94/977038894.db2.gz SZUXDOWQBJNHLT-QGZVFWFLSA-N 0 0 384.455 3.960 20 10 GHCDRN Cc1cc(C(=O)Nc2ccc(C(=O)N(C)C)nc2)c(C)n1-c1ccc(F)cc1 ZINC001154429753 1032098287 /nfs/dbraw/zinc/09/82/87/1032098287.db2.gz UMYRYYFTPCTVHY-UHFFFAOYSA-N 0 0 380.423 3.582 20 10 GHCDRN CC[C@H]([NH2+]Cc1cccc(OCC(=O)[O-])c1)c1cc(Br)ccc1O ZINC001595305532 980448060 /nfs/dbraw/zinc/44/80/60/980448060.db2.gz RAIUTDGAZXUEHO-INIZCTEOSA-N 0 0 394.265 3.859 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC001545684236 1014990905 /nfs/dbraw/zinc/99/09/05/1014990905.db2.gz OSSPVNNYLHMLJU-XHSDSOJGSA-N 0 0 384.476 3.505 20 10 GHCDRN CCOc1ccc(C[C@H](C[NH2+]Cc2c(O)cc(C)cc2Cl)C(=O)[O-])cc1 ZINC001597095392 986690069 /nfs/dbraw/zinc/69/00/69/986690069.db2.gz OEZPXOFPTHESHC-OAHLLOKOSA-N 0 0 377.868 3.786 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCc2ncc(C)cc2C)cc1 ZINC001154466408 1032122483 /nfs/dbraw/zinc/12/24/83/1032122483.db2.gz LVMGPRVAHPICMM-UHFFFAOYSA-N 0 0 375.472 3.777 20 10 GHCDRN COc1ccc([C@@H](C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)N2CCCC2)cc1 ZINC001599515022 997367727 /nfs/dbraw/zinc/36/77/27/997367727.db2.gz CHDRJHGOUVOPEO-FOIQADDNSA-N 0 0 384.476 3.587 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(OC(C)C)cc3)C2)cc1 ZINC001220911615 1032186553 /nfs/dbraw/zinc/18/65/53/1032186553.db2.gz HKRJUHOVBLLLMN-IBGZPJMESA-N 0 0 397.519 3.603 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC001220970756 1032214556 /nfs/dbraw/zinc/21/45/56/1032214556.db2.gz XVVURBMEQNDRPH-UHFFFAOYSA-N 0 0 395.425 3.958 20 10 GHCDRN Cc1c(Cl)cccc1N1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC001221011812 1032235061 /nfs/dbraw/zinc/23/50/61/1032235061.db2.gz XRBSEEAKSTXNJH-UHFFFAOYSA-N 0 0 386.927 3.746 20 10 GHCDRN Cc1ccc(N2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)cc1C ZINC001221055577 1032258603 /nfs/dbraw/zinc/25/86/03/1032258603.db2.gz OZFBIFPCPPMAOI-UHFFFAOYSA-N 0 0 392.547 3.935 20 10 GHCDRN C[C@@H](NC(=O)N[C@H](c1nccn1C)c1ccc(Cl)cc1)c1ccccc1O ZINC001221132708 1032300232 /nfs/dbraw/zinc/30/02/32/1032300232.db2.gz HKBALJJSGLFKOU-ACJLOTCBSA-N 0 0 384.867 3.929 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2c3ccccc3OC[C@H]2F)cc1F ZINC001227279865 1032351912 /nfs/dbraw/zinc/35/19/12/1032351912.db2.gz JRVWTZNQUALYFV-YLJYHZDGSA-N 0 0 389.446 3.943 20 10 GHCDRN COc1cc(CCNC(=O)NCc2ccc(N(C)C)cc2C)ccc1Cl ZINC001227354359 1032385817 /nfs/dbraw/zinc/38/58/17/1032385817.db2.gz BFICOVWVVOKCDM-UHFFFAOYSA-N 0 0 375.900 3.765 20 10 GHCDRN C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1cnn(CC2CCC2)c1 ZINC001221511835 1032442675 /nfs/dbraw/zinc/44/26/75/1032442675.db2.gz KRYFLWGTDQTXFS-MRXNPFEDSA-N 0 0 381.524 3.626 20 10 GHCDRN COC(=O)C[C@H]1CCC[C@H](Oc2c(O)ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001227579949 1032469995 /nfs/dbraw/zinc/46/99/95/1032469995.db2.gz CCRUGBOCIILFRE-KBPBESRZSA-N 0 0 394.423 3.668 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCC=C(Br)C2)cc1F ZINC001221878976 1032560670 /nfs/dbraw/zinc/56/06/70/1032560670.db2.gz NRNPBYXJXGOGTC-UHFFFAOYSA-N 0 0 384.293 3.866 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1cccc2[nH]c(=O)n(C)c21 ZINC001155652035 1032622840 /nfs/dbraw/zinc/62/28/40/1032622840.db2.gz LMWAXKBETFKVKD-LJQANCHMSA-N 0 0 379.460 3.655 20 10 GHCDRN C[C@H](Nc1cnn(Cc2ccncc2)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000777566623 1017113427 /nfs/dbraw/zinc/11/34/27/1017113427.db2.gz SRDWVYVBAOUKOD-INIZCTEOSA-N 0 0 397.910 3.990 20 10 GHCDRN CC[C@H](C)Oc1cc(CNC(=O)NCc2c(O)ccc3c2CCCC3)ccn1 ZINC000777753481 1017606411 /nfs/dbraw/zinc/60/64/11/1017606411.db2.gz ATGVCIGDMMENSB-HNNXBMFYSA-N 0 0 383.492 3.843 20 10 GHCDRN C[C@H]1CN(C(=O)c2ccnc3c2CCN3C(=O)OC(C)(C)C)c2ccccc2O1 ZINC000932548636 1018438154 /nfs/dbraw/zinc/43/81/54/1018438154.db2.gz CVVABQJTHUJRBU-AWEZNQCLSA-N 0 0 395.459 3.807 20 10 GHCDRN CN(C(=O)C1CC1)c1ccc(NC(=O)NCCCSc2nccs2)cc1 ZINC000932611267 1018526397 /nfs/dbraw/zinc/52/63/97/1018526397.db2.gz BRGPIBXCXBLRLC-UHFFFAOYSA-N 0 0 390.534 3.820 20 10 GHCDRN O=C(Cn1nc(C(F)F)cc1C(F)F)NCCCSc1nccs1 ZINC000932686167 1018583473 /nfs/dbraw/zinc/58/34/73/1018583473.db2.gz FSPJBYKEPGCORR-UHFFFAOYSA-N 0 0 382.408 3.513 20 10 GHCDRN COc1cc(Br)cc(CN2CCOC[C@@H]2c2csc(C)n2)c1O ZINC001204337453 1032779578 /nfs/dbraw/zinc/77/95/78/1032779578.db2.gz HWEVHJDZROQQNF-CQSZACIVSA-N 0 0 399.310 3.502 20 10 GHCDRN Oc1cc2c(cc1O)CN(C(F)(F)c1cnc3c(Cl)ncnc3c1)CCC2 ZINC001155944242 1032805618 /nfs/dbraw/zinc/80/56/18/1032805618.db2.gz AGBHIIMJLOLRNE-UHFFFAOYSA-N 0 0 392.793 3.587 20 10 GHCDRN CCc1nnc2c(C(=O)N[C@H]3c4c(c(C)cc(C)c4O)CC3(C)C)cccn12 ZINC001156057481 1032859303 /nfs/dbraw/zinc/85/93/03/1032859303.db2.gz QYTUUSWBWAVHCF-IBGZPJMESA-N 0 0 378.476 3.668 20 10 GHCDRN Cc1nc(COc2ccc(C(=O)Nc3cccc(N4CCCC4)c3)cc2)no1 ZINC000047289922 1019987069 /nfs/dbraw/zinc/98/70/69/1019987069.db2.gz OWETULFDCBTEEC-UHFFFAOYSA-N 0 0 378.432 3.810 20 10 GHCDRN CN1C(=O)/C(=C\c2cc(Br)ccc2OC(F)F)SC1=S ZINC000048402536 1020320926 /nfs/dbraw/zinc/32/09/26/1020320926.db2.gz FCQAOCISBXHHDU-WEVVVXLNSA-N 0 0 380.235 3.882 20 10 GHCDRN COCC(=O)N1CCc2cc(N[C@@H](C)c3cc4c(cc3O)CCCC4)ccc21 ZINC000187659922 1020432045 /nfs/dbraw/zinc/43/20/45/1020432045.db2.gz KHEFYKQVFGFORM-HNNXBMFYSA-N 0 0 380.488 3.980 20 10 GHCDRN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCc1c(O)cccc1F ZINC001156164298 1032908732 /nfs/dbraw/zinc/90/87/32/1032908732.db2.gz VKKQNFPHGGXMIT-UHFFFAOYSA-N 0 0 377.778 3.748 20 10 GHCDRN COC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(Br)cc(C)c1O ZINC001204472750 1032910784 /nfs/dbraw/zinc/91/07/84/1032910784.db2.gz YUYIFQSWCHUECL-QGZVFWFLSA-N 0 0 390.277 3.563 20 10 GHCDRN COc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)c(OC(F)F)c1 ZINC000190118752 1020613831 /nfs/dbraw/zinc/61/38/31/1020613831.db2.gz ZQVZSBLNPPMSLA-UHFFFAOYSA-N 0 0 376.403 3.827 20 10 GHCDRN C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C[C@@H]1F ZINC000779360203 1020741252 /nfs/dbraw/zinc/74/12/52/1020741252.db2.gz BHFVTAXRMGHVPJ-KEYYUXOJSA-N 0 0 385.430 3.646 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000779510768 1020837539 /nfs/dbraw/zinc/83/75/39/1020837539.db2.gz QXNCMIQPOKAIEO-KXFIGUGUSA-N 0 0 390.892 3.956 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000779521063 1020838249 /nfs/dbraw/zinc/83/82/49/1020838249.db2.gz KAXDKPDUILMUAR-XNWCZRBMSA-N 0 0 383.791 3.985 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000194004270 1020957726 /nfs/dbraw/zinc/95/77/26/1020957726.db2.gz BWZJIDFJEAAGBR-ZDUSSCGKSA-N 0 0 383.473 3.898 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCC(=O)Nc2c(C)cccc2C)cc1 ZINC000194256348 1020964810 /nfs/dbraw/zinc/96/48/10/1020964810.db2.gz HHSALWAHSGXPQG-UHFFFAOYSA-N 0 0 382.508 3.588 20 10 GHCDRN c1cc(-c2nnc(NCc3ccc(N4CCOCC4)cc3)o2)cc2c1CCC2 ZINC000834474657 1021212280 /nfs/dbraw/zinc/21/22/80/1021212280.db2.gz AOMYHFWYKCNCDS-UHFFFAOYSA-N 0 0 376.460 3.674 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCC(C)(C)C(C)=O ZINC000834514358 1021235010 /nfs/dbraw/zinc/23/50/10/1021235010.db2.gz LAMMWMUSZVLFGS-UHFFFAOYSA-N 0 0 390.524 3.770 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)C1CCC(OC)CC1 ZINC000834513718 1021237334 /nfs/dbraw/zinc/23/73/34/1021237334.db2.gz BKCNXMGBDFNWLB-UHFFFAOYSA-N 0 0 390.524 3.580 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cccc(C(C)=O)c1 ZINC000834514740 1021238397 /nfs/dbraw/zinc/23/83/97/1021238397.db2.gz VHKVGRMEMYQVMB-UHFFFAOYSA-N 0 0 396.487 3.891 20 10 GHCDRN COC[C@H]1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C)C1 ZINC000800742300 1021333093 /nfs/dbraw/zinc/33/30/93/1021333093.db2.gz FWXGASIUSANYCL-SFHVURJKSA-N 0 0 379.508 3.752 20 10 GHCDRN CO[C@H](C)c1nsc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000800856795 1021343898 /nfs/dbraw/zinc/34/38/98/1021343898.db2.gz VPIDFJIMPNVWOC-VXGBXAGGSA-N 0 0 384.452 3.928 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)NCCc1cc(OC)ccc1OC ZINC000802020089 1021467683 /nfs/dbraw/zinc/46/76/83/1021467683.db2.gz HRTVVHNTGHJVSD-UHFFFAOYSA-N 0 0 386.492 3.964 20 10 GHCDRN C[C@H](NCc1ncc(Br)cn1)c1cccc(C(F)(F)F)c1O ZINC000903320348 1021592442 /nfs/dbraw/zinc/59/24/42/1021592442.db2.gz GDGANFLILYRCPL-QMMMGPOBSA-N 0 0 376.176 3.814 20 10 GHCDRN C[C@H](NCc1nn(C)cc1Br)c1cc(Br)ccc1O ZINC000834882999 1021610744 /nfs/dbraw/zinc/61/07/44/1021610744.db2.gz GAHQHMRZYMSVNQ-QMMMGPOBSA-N 0 0 389.091 3.502 20 10 GHCDRN CC(=O)Nc1ccc(CN2CCC([NH2+][C@@H](C)c3ccc(F)cc3[O-])CC2)cc1 ZINC000834887866 1021623857 /nfs/dbraw/zinc/62/38/57/1021623857.db2.gz XVBKGQSQGGDWRG-HNNXBMFYSA-N 0 0 385.483 3.805 20 10 GHCDRN C[C@H]([NH2+][C@H]1C[C@H]2CCCCN2C1=O)c1cc(Br)cc(Cl)c1[O-] ZINC000834913711 1021676510 /nfs/dbraw/zinc/67/65/10/1021676510.db2.gz IWMDULVLFCQJDE-PXWWUCIGSA-N 0 0 387.705 3.612 20 10 GHCDRN O=C(NCc1ccccc1O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 ZINC000748447162 1021692171 /nfs/dbraw/zinc/69/21/71/1021692171.db2.gz LIYIPMQRJJLHJJ-UHFFFAOYSA-N 0 0 393.418 3.783 20 10 GHCDRN CS(=O)(=O)Nc1ccc(Nc2ccc(C(=O)Oc3ccc(N)cc3)cc2)cc1 ZINC001204625909 1032999229 /nfs/dbraw/zinc/99/92/29/1032999229.db2.gz LRLZUJAUHWUAEN-UHFFFAOYSA-N 0 0 397.456 3.603 20 10 GHCDRN Cc1cc(Cl)c(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1C ZINC000835052640 1021819281 /nfs/dbraw/zinc/81/92/81/1021819281.db2.gz IDELDRSGGATWGV-UHFFFAOYSA-N 0 0 385.895 3.812 20 10 GHCDRN CC(C)OCc1nn(CC2CC2)c2c1CN(Cc1c([O-])cc(F)cc1F)CC2 ZINC001140581559 1022001491 /nfs/dbraw/zinc/00/14/91/1022001491.db2.gz UNCPHSLDVSKJRM-UHFFFAOYSA-N 0 0 391.462 3.760 20 10 GHCDRN OCc1ccc(CN2CCN(c3ccc(OCc4ccccc4)cc3)CC2)o1 ZINC001140684091 1022257719 /nfs/dbraw/zinc/25/77/19/1022257719.db2.gz CZEQQOHESNCRIP-UHFFFAOYSA-N 0 0 378.472 3.673 20 10 GHCDRN CCN(CC)c1ccc(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1 ZINC000754028565 1022431575 /nfs/dbraw/zinc/43/15/75/1022431575.db2.gz WEWCCYBKUKMAFD-UHFFFAOYSA-N 0 0 385.483 3.643 20 10 GHCDRN Cc1cc(CC(=O)OCC[C@H]2CCOC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000754067504 1022458621 /nfs/dbraw/zinc/45/86/21/1022458621.db2.gz QSICRORASCJWDH-HNNXBMFYSA-N 0 0 375.852 3.786 20 10 GHCDRN O=C(NCCC[C@H]1CCOC1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000835976453 1022524661 /nfs/dbraw/zinc/52/46/61/1022524661.db2.gz VFOWMAWNLBGDND-INIZCTEOSA-N 0 0 380.448 3.973 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000754289470 1022586790 /nfs/dbraw/zinc/58/67/90/1022586790.db2.gz DRBJNOUZZGNAPX-OWZDWXTDSA-N 0 0 388.439 3.820 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000836233092 1022752946 /nfs/dbraw/zinc/75/29/46/1022752946.db2.gz CXXKZSQXFGKTDU-GOSISDBHSA-N 0 0 382.464 3.750 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N3C[C@]4(CCCO4)[C@@H]3C3CC3)cc2)CC1 ZINC000836289676 1022830171 /nfs/dbraw/zinc/83/01/71/1022830171.db2.gz MRDVEBWSHAYZPU-JTHBVZDNSA-N 0 0 383.536 3.776 20 10 GHCDRN CC(C)OCc1ncn2c1CN(Cc1ccc(N(C)C)cc1Cl)CCC2 ZINC001140923454 1022897822 /nfs/dbraw/zinc/89/78/22/1022897822.db2.gz BALANUBWAPROQX-UHFFFAOYSA-N 0 0 376.932 3.933 20 10 GHCDRN CN(C)c1ccc(CN2CC[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001140924394 1022901389 /nfs/dbraw/zinc/90/13/89/1022901389.db2.gz IFUDUASCHFVNSX-SJORKVTESA-N 0 0 385.911 3.843 20 10 GHCDRN COC(=O)CCCN1C(=O)/C(=C\c2ccc3nc(C)sc3c2)SC1=S ZINC000754831966 1022920319 /nfs/dbraw/zinc/92/03/19/1022920319.db2.gz HWTPMMPUTRDQKN-NTEUORMPSA-N 0 0 392.527 3.759 20 10 GHCDRN C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000836405641 1022950131 /nfs/dbraw/zinc/95/01/31/1022950131.db2.gz JYRCANBIKHWKJS-HOTGVXAUSA-N 0 0 392.544 3.806 20 10 GHCDRN CCC[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(C)(C)C ZINC000836576833 1023135913 /nfs/dbraw/zinc/13/59/13/1023135913.db2.gz SDDSVQSZYHMUKV-LJQANCHMSA-N 0 0 379.520 3.801 20 10 GHCDRN C[C@@]1(C(N)=O)CCCCN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000755254215 1023157611 /nfs/dbraw/zinc/15/76/11/1023157611.db2.gz VLSVCKWFDPOJQZ-NRFANRHFSA-N 0 0 379.464 3.770 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3cccc(OC(C)C)c3)CC2)cc1F ZINC000836727930 1023313072 /nfs/dbraw/zinc/31/30/72/1023313072.db2.gz CNXKVJUFQUCAGI-UHFFFAOYSA-N 0 0 387.455 3.976 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cc(Br)cnc1C ZINC000836734876 1023322827 /nfs/dbraw/zinc/32/28/27/1023322827.db2.gz JJTJWCBLRRWXFL-UHFFFAOYSA-N 0 0 377.286 3.849 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)CC2CC2)cc1 ZINC000836763409 1023347647 /nfs/dbraw/zinc/34/76/47/1023347647.db2.gz UYUBDFFHQRUFFH-UHFFFAOYSA-N 0 0 387.501 3.628 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)cc2Cl)C1 ZINC000836788458 1023367316 /nfs/dbraw/zinc/36/73/16/1023367316.db2.gz RPPULQADFOEPNQ-JCGIZDLHSA-N 0 0 386.927 3.730 20 10 GHCDRN Cc1cc(CC(=O)NC2(CF)CCOCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000836795475 1023371315 /nfs/dbraw/zinc/37/13/15/1023371315.db2.gz OHIXAJVDLZBGDK-UHFFFAOYSA-N 0 0 378.875 3.925 20 10 GHCDRN O[C@@H](COC1CCOCC1)CN1CCCc2cc(OCc3ccccc3)ccc21 ZINC000755947021 1023448133 /nfs/dbraw/zinc/44/81/33/1023448133.db2.gz VEFGYTQAEBREDN-OAQYLSRUSA-N 0 0 397.515 3.575 20 10 GHCDRN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)c1 ZINC000755984776 1023465204 /nfs/dbraw/zinc/46/52/04/1023465204.db2.gz KWBUQLVKTKUKNB-UHFFFAOYSA-N 0 0 377.462 3.720 20 10 GHCDRN Cc1cc(CC(=O)N[C@H](C)Cc2cnn(C)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000836973832 1023534378 /nfs/dbraw/zinc/53/43/78/1023534378.db2.gz DXXPBESTDRPIQL-CQSZACIVSA-N 0 0 384.911 3.771 20 10 GHCDRN C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1cc(F)cc(F)c1[O-] ZINC000756417104 1023637674 /nfs/dbraw/zinc/63/76/74/1023637674.db2.gz PHVOJJFXBAFASR-MCIONIFRSA-N 0 0 377.435 3.530 20 10 GHCDRN Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])c1 ZINC000756453079 1023658712 /nfs/dbraw/zinc/65/87/12/1023658712.db2.gz CJDNLMIGHKMHPG-QWHCGFSZSA-N 0 0 398.272 3.693 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000756455039 1023659491 /nfs/dbraw/zinc/65/94/91/1023659491.db2.gz HUHMODDKOCRBFD-CABCVRRESA-N 0 0 382.460 3.717 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000756454968 1023659568 /nfs/dbraw/zinc/65/95/68/1023659568.db2.gz GWGHXDJCFPMYHN-LSDHHAIUSA-N 0 0 382.460 3.717 20 10 GHCDRN C[C@@H]([NH2+]CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756556563 1023712412 /nfs/dbraw/zinc/71/24/12/1023712412.db2.gz XBHPXNLGLLGMIA-CABCVRRESA-N 0 0 393.484 3.988 20 10 GHCDRN C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756568114 1023715792 /nfs/dbraw/zinc/71/57/92/1023715792.db2.gz BJMSOMUTYNORBN-VXGBXAGGSA-N 0 0 394.302 3.727 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccc(F)cc1[O-] ZINC000756606076 1023734781 /nfs/dbraw/zinc/73/47/81/1023734781.db2.gz ATTPYOXCDWERJQ-PXAZEXFGSA-N 0 0 394.393 3.979 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(C)cc2OC[C@@H]2CCOC2)c1 ZINC000756644502 1023752087 /nfs/dbraw/zinc/75/20/87/1023752087.db2.gz FGNUTHBSNURIPL-IAGOWNOFSA-N 0 0 399.487 3.753 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2nccn2CCCc2ccccc2)c1 ZINC000756650272 1023753815 /nfs/dbraw/zinc/75/38/15/1023753815.db2.gz VGNKZWNAFKUWTB-KRWDZBQOSA-N 0 0 393.487 3.859 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cc(Br)ccc2OC)c1 ZINC000756690010 1023774343 /nfs/dbraw/zinc/77/43/43/1023774343.db2.gz XBCNKILOELQSDI-LLVKDONJSA-N 0 0 394.265 3.801 20 10 GHCDRN C[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756708721 1023783831 /nfs/dbraw/zinc/78/38/31/1023783831.db2.gz HQVMSPNWHWJFBL-LLVKDONJSA-N 0 0 388.811 3.897 20 10 GHCDRN C[C@@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1cc(Br)c(F)cc1[O-] ZINC000756712484 1023784151 /nfs/dbraw/zinc/78/41/51/1023784151.db2.gz QXGOKTXSLOLPLB-CLAHSXSESA-N 0 0 390.199 3.956 20 10 GHCDRN C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1ccc([S@@](C)=O)cc1 ZINC000756724874 1023790012 /nfs/dbraw/zinc/79/00/12/1023790012.db2.gz OAEBKTPOCHOIAD-LOKFHWFJSA-N 0 0 386.517 3.569 20 10 GHCDRN CSC1(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])CCOCC1 ZINC000756734272 1023792266 /nfs/dbraw/zinc/79/22/66/1023792266.db2.gz VMILDMIZDCOMHT-JTQLQIEISA-N 0 0 378.307 3.857 20 10 GHCDRN C[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1cc(Br)cc(F)c1[O-] ZINC000756761029 1023803811 /nfs/dbraw/zinc/80/38/11/1023803811.db2.gz KZKHIIUETMECNP-BDJLRTHQSA-N 0 0 399.304 3.878 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(COC3CCOCC3)cc2)c1 ZINC000756768271 1023806906 /nfs/dbraw/zinc/80/69/06/1023806906.db2.gz LIGXBYNIMVDYTD-INIZCTEOSA-N 0 0 399.487 3.725 20 10 GHCDRN C[C@@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1cc(Br)c(F)cc1[O-] ZINC000756783085 1023813924 /nfs/dbraw/zinc/81/39/24/1023813924.db2.gz DQQXKNROAHOHAI-BMLIUANNSA-N 0 0 386.236 3.991 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)c1 ZINC000756781685 1023814178 /nfs/dbraw/zinc/81/41/78/1023814178.db2.gz JBUTUXJOAFUCAF-VQCLRJIVSA-N 0 0 377.481 3.730 20 10 GHCDRN C[C@@H]1C[C@@H](Nc2ccc(CC(=O)N3CCOCC3)cc2)c2c1c(F)ccc2O ZINC000756801646 1023820273 /nfs/dbraw/zinc/82/02/73/1023820273.db2.gz BMRVBFIISOJDMF-RDTXWAMCSA-N 0 0 384.451 3.593 20 10 GHCDRN C[C@H](Nc1cccc2c1oc(=O)n2C)c1cc(Br)c(F)cc1O ZINC000756855680 1023836785 /nfs/dbraw/zinc/83/67/85/1023836785.db2.gz LUEYMBYZTGXJES-QMMMGPOBSA-N 0 0 381.201 3.912 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1(CNC(=O)OC(C)(C)C)CCCC1 ZINC000756942022 1023878762 /nfs/dbraw/zinc/87/87/62/1023878762.db2.gz VAYOAHXZFHUVQV-UHFFFAOYSA-N 0 0 389.540 3.762 20 10 GHCDRN CS[C@H](C)CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000757035104 1023914385 /nfs/dbraw/zinc/91/43/85/1023914385.db2.gz LJIBFLPSVYDFFY-RHSMWYFYSA-N 0 0 395.569 3.576 20 10 GHCDRN O=C(NCc1ccccc1O)c1cc(Br)cc(N2CCCC2)c1 ZINC000830527204 1023968096 /nfs/dbraw/zinc/96/80/96/1023968096.db2.gz WNLSDGFZCMUWOD-UHFFFAOYSA-N 0 0 375.266 3.685 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@@H]([C@H](O)C(F)(F)F)C2)c(C)n1-c1ccc(F)cc1 ZINC000837036660 1023970754 /nfs/dbraw/zinc/97/07/54/1023970754.db2.gz IKVUGTDQUUCZPA-DYVFJYSZSA-N 0 0 384.373 3.619 20 10 GHCDRN O=C(OCc1ccccc1)[C@@H]1Cc2ccccc2CN1Cc1cc(O)ccc1O ZINC001141161799 1023986515 /nfs/dbraw/zinc/98/65/15/1023986515.db2.gz YPLPTJCMYXLHCR-QFIPXVFZSA-N 0 0 389.451 3.768 20 10 GHCDRN O=C(NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1)C1=CC(=O)CS1 ZINC000830727696 1024108368 /nfs/dbraw/zinc/10/83/68/1024108368.db2.gz WYCIDCWQOZMNGB-CYBMUJFWSA-N 0 0 377.466 3.668 20 10 GHCDRN [O-]c1c(F)cccc1C[NH+]1CCC2(CCOC[C@H]2COc2cccnc2)CC1 ZINC001138125560 1024168917 /nfs/dbraw/zinc/16/89/17/1024168917.db2.gz SJIYGQYGJXNIER-SFHVURJKSA-N 0 0 386.467 3.624 20 10 GHCDRN Cc1cccc(Oc2ccc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)nc2)c1 ZINC001138152904 1024248903 /nfs/dbraw/zinc/24/89/03/1024248903.db2.gz SKPRIENYHROFFP-HNNXBMFYSA-N 0 0 378.428 3.955 20 10 GHCDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3ccc(N)cc3)cc2[N+](=O)[O-])C1 ZINC000837303045 1024327748 /nfs/dbraw/zinc/32/77/48/1024327748.db2.gz REYGFLSQNYECCB-HUUCEWRRSA-N 0 0 382.464 3.589 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2cc(C(C)C)[nH]n2)c(C)n1-c1ccc(F)cn1 ZINC000837434404 1024455480 /nfs/dbraw/zinc/45/54/80/1024455480.db2.gz CPRYWRPFDNXCEF-UHFFFAOYSA-N 0 0 384.411 3.514 20 10 GHCDRN Cc1cc(C(=O)COC(=O)C=C2CCSCC2)c(C)n1-c1ccc(F)cn1 ZINC000837613259 1024587818 /nfs/dbraw/zinc/58/78/18/1024587818.db2.gz NUJNFDFSYSQWRD-UHFFFAOYSA-N 0 0 388.464 3.808 20 10 GHCDRN COCCC[C@H](C)C(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C ZINC000837620627 1024591427 /nfs/dbraw/zinc/59/14/27/1024591427.db2.gz QWWJMCKFXFEISF-ZDUSSCGKSA-N 0 0 392.883 3.931 20 10 GHCDRN Cc1c2ccccc2oc1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837704769 1024648979 /nfs/dbraw/zinc/64/89/79/1024648979.db2.gz MAUIINBSFNMFES-UHFFFAOYSA-N 0 0 386.398 3.786 20 10 GHCDRN O=C(CCc1ccc2[nH]ccc2c1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837709504 1024653129 /nfs/dbraw/zinc/65/31/29/1024653129.db2.gz YETXLMVEBVCXPH-UHFFFAOYSA-N 0 0 399.441 3.532 20 10 GHCDRN Cc1cc(C(=O)NOCCOC(C)C)c(C)n1-c1ccccc1Br ZINC001141350007 1024659872 /nfs/dbraw/zinc/65/98/72/1024659872.db2.gz OSHGGYKUGJUFRM-UHFFFAOYSA-N 0 0 395.297 3.943 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N(Cc2cccc(C(N)=O)c2)C2CC2)cc1 ZINC000837726950 1024667843 /nfs/dbraw/zinc/66/78/43/1024667843.db2.gz ULCABNVTSFJQHO-UHFFFAOYSA-N 0 0 394.519 3.506 20 10 GHCDRN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000837815965 1024732533 /nfs/dbraw/zinc/73/25/33/1024732533.db2.gz AJPJIBQZIUUNTL-PWHSHALESA-N 0 0 393.531 3.999 20 10 GHCDRN CCON(CC1CCCCC1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000837817931 1024735781 /nfs/dbraw/zinc/73/57/81/1024735781.db2.gz VYNPSHHBXCEVHN-UHFFFAOYSA-N 0 0 375.513 3.567 20 10 GHCDRN Cc1ccc([C@@H](C)NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)s1 ZINC000837821024 1024736345 /nfs/dbraw/zinc/73/63/45/1024736345.db2.gz SJQWBBKJEJCJSM-CYBMUJFWSA-N 0 0 395.475 3.732 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC001141375218 1024768567 /nfs/dbraw/zinc/76/85/67/1024768567.db2.gz ZLXCTVOVSMFVCO-ZDUSSCGKSA-N 0 0 383.673 3.856 20 10 GHCDRN C[C@@H](CCCc1cccnc1)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000837882496 1024779349 /nfs/dbraw/zinc/77/93/49/1024779349.db2.gz OSNYPRDRZMIYCL-OALUTQOASA-N 0 0 396.535 3.690 20 10 GHCDRN COCCC[C@@H](CNC(=O)c1c(F)ccc(O)c1O)c1ccc(Cl)cc1 ZINC000831786985 1024862617 /nfs/dbraw/zinc/86/26/17/1024862617.db2.gz KAJVQIFFCHLAGO-ZDUSSCGKSA-N 0 0 381.831 3.831 20 10 GHCDRN COc1cccc([C@H]2C[C@H](N(C)C(=O)NCc3ccc(N(C)C)c(F)c3)C2)c1 ZINC000838030077 1024892682 /nfs/dbraw/zinc/89/26/82/1024892682.db2.gz UCQGAEGPOPFZEB-IYARVYRRSA-N 0 0 385.483 3.988 20 10 GHCDRN Cc1cc(C(=O)COC(=O)CCCC(=O)C2CC2)c(C)n1-c1ccc(F)cn1 ZINC000838157671 1024953807 /nfs/dbraw/zinc/95/38/07/1024953807.db2.gz VKFCIEZPVBAVDN-UHFFFAOYSA-N 0 0 386.423 3.504 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2cncnc2C2CC2)c(C)n1-c1ccccc1 ZINC000838353756 1025084728 /nfs/dbraw/zinc/08/47/28/1025084728.db2.gz QXDJNKFVEMXSOD-UHFFFAOYSA-N 0 0 375.428 3.801 20 10 GHCDRN O=C(COC(=O)C[C@H]1CCC(=O)NC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000838354672 1025085082 /nfs/dbraw/zinc/08/50/82/1025085082.db2.gz LVDOVTRFXJYCHM-OAHLLOKOSA-N 0 0 394.431 3.500 20 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1078913407 /nfs/dbraw/zinc/91/34/07/1078913407.db2.gz FMDUCQFYCWNNTE-KSZLIROESA-N 0 0 389.540 3.608 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCN(c2ccccc2F)CC1 ZINC001470556478 1072624300 /nfs/dbraw/zinc/62/43/00/1072624300.db2.gz WGPGUCAANCPGDJ-SFHVURJKSA-N 0 0 398.526 3.663 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N(C)[C@@H](C)Cc3ccsc3)C2)cc1 ZINC001470593130 1072639784 /nfs/dbraw/zinc/63/97/84/1072639784.db2.gz JGCCVBGRYYCNJL-FUHWJXTLSA-N 0 0 387.549 3.856 20 10 GHCDRN O=C(NCc1cccc(Cl)c1O)NC[C@@H](OC1CCCC1)C(F)(F)F ZINC001470745089 1072717533 /nfs/dbraw/zinc/71/75/33/1072717533.db2.gz PMSPVNALVRYHDD-CYBMUJFWSA-N 0 0 380.794 3.735 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001470907957 1072805474 /nfs/dbraw/zinc/80/54/74/1072805474.db2.gz RSCTVLRFXFGOKR-MRXNPFEDSA-N 0 0 393.528 3.959 20 10 GHCDRN C[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)N[C@H](C)c1ccccc1O ZINC001478744316 1078973553 /nfs/dbraw/zinc/97/35/53/1078973553.db2.gz YIZXUOYSZHUKCY-HUUCEWRRSA-N 0 0 379.501 3.836 20 10 GHCDRN COC(=O)C[C@@H]1CCCN1C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001471034724 1072894414 /nfs/dbraw/zinc/89/44/14/1072894414.db2.gz OAFVQRUXLXIWDB-IBGZPJMESA-N 0 0 383.492 3.640 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)c1 ZINC001471076632 1072913462 /nfs/dbraw/zinc/91/34/62/1072913462.db2.gz CXLPVMWFUCYVAL-CGTJXYLNSA-N 0 0 387.277 3.601 20 10 GHCDRN COc1cccc(CNC(=O)NCc2cc(Cl)cc(Br)c2)c1O ZINC001478834887 1078999238 /nfs/dbraw/zinc/99/92/38/1078999238.db2.gz WPRIMBZMTXOSHN-UHFFFAOYSA-N 0 0 399.672 3.816 20 10 GHCDRN CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001478841507 1079000758 /nfs/dbraw/zinc/00/07/58/1079000758.db2.gz XTBLRNHZQIDQSY-KRWDZBQOSA-N 0 0 397.519 3.952 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001478841569 1079000788 /nfs/dbraw/zinc/00/07/88/1079000788.db2.gz YXUAZGGQZYMWDM-VGOFRKELSA-N 0 0 399.510 3.914 20 10 GHCDRN CCOC(=O)N1[C@H](C(=O)N[C@H](C)c2ccccc2O)CC[C@H]1c1ccc(C)o1 ZINC001471195663 1072961695 /nfs/dbraw/zinc/96/16/95/1072961695.db2.gz KMGAERATBLUGLE-PVAVHDDUSA-N 0 0 386.448 3.833 20 10 GHCDRN C[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1O ZINC001471195427 1072961888 /nfs/dbraw/zinc/96/18/88/1072961888.db2.gz HXZBFAGKLAFVGC-SNVBAGLBSA-N 0 0 384.310 3.733 20 10 GHCDRN COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C ZINC001471219798 1072971802 /nfs/dbraw/zinc/97/18/02/1072971802.db2.gz OOAFRWCQASOOID-WIYYLYMNSA-N 0 0 398.503 3.525 20 10 GHCDRN C[C@](CO)(Cc1ccc(Cl)cc1)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001471270902 1072991643 /nfs/dbraw/zinc/99/16/43/1072991643.db2.gz UYDNTNWXHMKGPR-LJQANCHMSA-N 0 0 391.876 3.689 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1CSc2ccccc2O1 ZINC001478881159 1079012254 /nfs/dbraw/zinc/01/22/54/1079012254.db2.gz ULHTVQPJILJZKA-IBGZPJMESA-N 0 0 397.544 3.982 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)NCC3(c4ccccc4F)CCC3)C2)cc1 ZINC001478920050 1079026290 /nfs/dbraw/zinc/02/62/90/1079026290.db2.gz XJFVIKXGOGTATQ-QGZVFWFLSA-N 0 0 397.494 3.834 20 10 GHCDRN CO[C@]1(C(F)(F)F)CCN(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)C1 ZINC001471548127 1073127435 /nfs/dbraw/zinc/12/74/35/1073127435.db2.gz OKESYCHOQUYXDP-LJQANCHMSA-N 0 0 394.393 3.700 20 10 GHCDRN O=C(NCc1cccc(O)c1O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC001471641998 1073167075 /nfs/dbraw/zinc/16/70/75/1073167075.db2.gz FIWQTCWOQDSJMU-UHFFFAOYSA-N 0 0 388.445 3.971 20 10 GHCDRN CC(=O)Nc1ccc2c(c1)CN(C(=O)c1cc(C)n(-c3ccccn3)c1C)CC2 ZINC001471746392 1073205497 /nfs/dbraw/zinc/20/54/97/1073205497.db2.gz PPJPQDVXUJWVGA-UHFFFAOYSA-N 0 0 388.471 3.646 20 10 GHCDRN CC(C)[C@@H](CCNC(=O)NCc1cccc(Cl)c1O)NC(=O)OC(C)(C)C ZINC001479011952 1079063247 /nfs/dbraw/zinc/06/32/47/1079063247.db2.gz DQAKIAPXVMXKCL-OAHLLOKOSA-N 0 0 399.919 3.784 20 10 GHCDRN Cc1cc(C(=O)N=[S@](C)(=O)C(C)C)c(C)n1-c1ccc(Br)cn1 ZINC001471988339 1073292628 /nfs/dbraw/zinc/29/26/28/1073292628.db2.gz MESUIWGSMKZDGQ-HSZRJFAPSA-N 0 0 398.326 3.898 20 10 GHCDRN Cc1noc(C)c1CSc1ccccc1C(=O)NCc1c(O)cccc1O ZINC001472063730 1073322233 /nfs/dbraw/zinc/32/22/33/1073322233.db2.gz OVMCODZFHOSDAD-UHFFFAOYSA-N 0 0 384.457 3.925 20 10 GHCDRN O=C(NCc1c(O)ccc2ccccc21)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001472086263 1073329314 /nfs/dbraw/zinc/32/93/14/1073329314.db2.gz RTOKQLMHJIROEI-UHFFFAOYSA-N 0 0 377.400 3.958 20 10 GHCDRN O=C(NCc1c(O)ccc2ccccc21)c1cccc(CNc2ccncn2)c1 ZINC001472085128 1073329338 /nfs/dbraw/zinc/32/93/38/1073329338.db2.gz LIYMFFYEYZSUKU-UHFFFAOYSA-N 0 0 384.439 3.878 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc2c1CCOC2 ZINC001479050776 1079082806 /nfs/dbraw/zinc/08/28/06/1079082806.db2.gz PFDYKAYPEJMAEA-UHFFFAOYSA-N 0 0 381.520 3.946 20 10 GHCDRN Cc1cc(CCNC(=O)N2CC[C@@H](O)C23CCCC3)c(C)n1-c1ccccc1 ZINC001479063328 1079089150 /nfs/dbraw/zinc/08/91/50/1079089150.db2.gz DRUVYGVTYWSYGB-OAQYLSRUSA-N 0 0 381.520 3.726 20 10 GHCDRN C[C@@H]1CC[C@@H](NC(=O)NCc2cccc(Cl)c2O)CN1C(=O)OC(C)(C)C ZINC001479079647 1079095644 /nfs/dbraw/zinc/09/56/44/1079095644.db2.gz ZTCCCRPRKLWSIS-TZMCWYRMSA-N 0 0 397.903 3.633 20 10 GHCDRN COC(=O)CC1CC(NC(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC001479099385 1079101848 /nfs/dbraw/zinc/10/18/48/1079101848.db2.gz HJCITIRLYGPZDR-UHFFFAOYSA-N 0 0 383.492 3.543 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2CC[C@H]([S@@](C)=O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC001472629042 1073584858 /nfs/dbraw/zinc/58/48/58/1073584858.db2.gz LBIQBBYSBFJIJI-VFHHBZAHSA-N 0 0 378.925 3.777 20 10 GHCDRN C[C@H]1CN(CCCNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C[C@H](C)O1 ZINC001472649245 1073595326 /nfs/dbraw/zinc/59/53/26/1073595326.db2.gz ABKKPFORYKCPBW-IRXDYDNUSA-N 0 0 397.475 3.737 20 10 GHCDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC[C@@H](O)Cc1ccc(F)cc1 ZINC001472879879 1073709256 /nfs/dbraw/zinc/70/92/56/1073709256.db2.gz FCMCEFKKOKDQBJ-IBGZPJMESA-N 0 0 394.402 3.980 20 10 GHCDRN COC(=O)C=Cc1ccc(N(C)Cc2cc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1 ZINC001472897608 1073717555 /nfs/dbraw/zinc/71/75/55/1073717555.db2.gz QVIBRRSYBZTLCS-LUAWRHEFSA-N 0 0 392.415 3.808 20 10 GHCDRN CC[C@H]1CCN([C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001473222720 1073871762 /nfs/dbraw/zinc/87/17/62/1073871762.db2.gz IKUMVPJAWHVRAD-CABCVRRESA-N 0 0 376.456 3.521 20 10 GHCDRN CC[C@H]1CCN([C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001473222723 1073872179 /nfs/dbraw/zinc/87/21/79/1073872179.db2.gz IKUMVPJAWHVRAD-GJZGRUSLSA-N 0 0 376.456 3.521 20 10 GHCDRN Cc1cc(CN2CCN(C(=O)Cc3ccccc3Cl)CC2)ccc1N(C)C ZINC001473268933 1073899319 /nfs/dbraw/zinc/89/93/19/1073899319.db2.gz XJCYWIGMSPLGSD-UHFFFAOYSA-N 0 0 385.939 3.601 20 10 GHCDRN CC[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)c2cccc(Cl)c2O1 ZINC001473377571 1073940496 /nfs/dbraw/zinc/94/04/96/1073940496.db2.gz ZKVQQUIQEPSWRV-QGZVFWFLSA-N 0 0 387.911 3.700 20 10 GHCDRN COc1ccc(N(C)CCN(C)[C@H](C)C(=O)Nc2cccc3ncccc32)cc1 ZINC001473609592 1074045122 /nfs/dbraw/zinc/04/51/22/1074045122.db2.gz FGJRLKFYOUUJEL-QGZVFWFLSA-N 0 0 392.503 3.639 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC001473924108 1074205608 /nfs/dbraw/zinc/20/56/08/1074205608.db2.gz ODLNYUTWNMMNPI-UHFFFAOYSA-N 0 0 390.256 3.812 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)c1 ZINC001473979438 1074224022 /nfs/dbraw/zinc/22/40/22/1074224022.db2.gz TTZBSPSLGZMBSU-LBPRGKRZSA-N 0 0 389.293 3.833 20 10 GHCDRN Cn1nc(C2CCCCC2)cc1NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001474043687 1074246572 /nfs/dbraw/zinc/24/65/72/1074246572.db2.gz JYLLOHWFLBANCP-UHFFFAOYSA-N 0 0 385.531 3.971 20 10 GHCDRN COC(=O)[C@@H](C)CN(C(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1)C1CC1 ZINC001546231291 1079242959 /nfs/dbraw/zinc/24/29/59/1079242959.db2.gz UESJSFRNSCLEHD-HNNXBMFYSA-N 0 0 396.487 3.629 20 10 GHCDRN CNC(=O)[C@@H]1CCCCN1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001474354806 1074359127 /nfs/dbraw/zinc/35/91/27/1074359127.db2.gz CXYVNPIDAULGES-SFHVURJKSA-N 0 0 394.357 3.540 20 10 GHCDRN COc1ccc(N2CCC(Nc3ccc(N4CCOCC4)c(C)c3)CC2)cc1 ZINC001474386525 1074379455 /nfs/dbraw/zinc/37/94/55/1074379455.db2.gz KCXVVBADWHEFMW-UHFFFAOYSA-N 0 0 381.520 3.921 20 10 GHCDRN COC(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])cc1 ZINC001474506703 1074438561 /nfs/dbraw/zinc/43/85/61/1074438561.db2.gz LXKJSEAAAUGSMU-UHFFFAOYSA-N 0 0 384.657 3.885 20 10 GHCDRN Cc1ccc(CNc2cc(N3CCOCC3)ccc2Br)c(O)c1 ZINC001474525196 1074449682 /nfs/dbraw/zinc/44/96/82/1074449682.db2.gz HCUODEYOSVARDB-UHFFFAOYSA-N 0 0 377.282 3.912 20 10 GHCDRN Cc1noc(-c2ccc(NCc3cc(Br)cc(F)c3O)cn2)n1 ZINC001474531105 1074452647 /nfs/dbraw/zinc/45/26/47/1074452647.db2.gz JSXKWHOQEIXRST-UHFFFAOYSA-N 0 0 379.189 3.659 20 10 GHCDRN C[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])C[C@H](O)Cc1ccccc1 ZINC001474552491 1074460445 /nfs/dbraw/zinc/46/04/45/1074460445.db2.gz LCQLQHPUVXKORA-OAHLLOKOSA-N 0 0 384.701 3.844 20 10 GHCDRN COCCOc1ccccc1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001476030841 1075071527 /nfs/dbraw/zinc/07/15/27/1075071527.db2.gz NNMIRIBSLTWMIY-UHFFFAOYSA-N 0 0 383.492 3.976 20 10 GHCDRN C[C@@H](NC(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)c1ccccc1O ZINC001476211071 1075104164 /nfs/dbraw/zinc/10/41/64/1075104164.db2.gz QOEDTCFFWWLNIO-LLVKDONJSA-N 0 0 398.854 3.781 20 10 GHCDRN CC[C@@H](C)c1nnc(N(C)C2CCC2)n1Cc1ccc(N2CCOCC2)cc1 ZINC001495066505 1079379908 /nfs/dbraw/zinc/37/99/08/1079379908.db2.gz NEJZLLHQQUBKBS-QGZVFWFLSA-N 0 0 383.540 3.665 20 10 GHCDRN CCCCN(CC)c1nnc(-c2cnccn2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001500436122 1079601763 /nfs/dbraw/zinc/60/17/63/1079601763.db2.gz XXZOUEOGONTVAP-UHFFFAOYSA-N 0 0 397.502 3.615 20 10 GHCDRN Cc1cc(C[NH2+][C@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])ccc1N(C)C ZINC001607647771 1126234258 /nfs/dbraw/zinc/23/42/58/1126234258.db2.gz YPEYBLGICWMGMD-QGZVFWFLSA-N 0 0 396.409 3.745 20 10 GHCDRN C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC001658372089 1126262130 /nfs/dbraw/zinc/26/21/30/1126262130.db2.gz XYCOLWPKDIATQD-QGZVFWFLSA-N 0 0 386.236 3.516 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)COc1cccc2cccnc21 ZINC001460974437 1069309108 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397.475 3.543 20 10 GHCDRN O=C([O-])[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1F ZINC000833167875 600758479 /nfs/dbraw/zinc/75/84/79/600758479.db2.gz RHTYFIUJNXGOEC-FZKQIMNGSA-N 0 0 394.393 3.811 20 10 GHCDRN COc1c(NC(=O)N(Cc2ccccc2O)C2CCCCC2)cccc1C(N)=O ZINC000782704977 837590657 /nfs/dbraw/zinc/59/06/57/837590657.db2.gz IYHLILWTYPLDTM-UHFFFAOYSA-N 0 0 397.475 3.867 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCCc1nc(-c2cccs2)no1 ZINC000173189514 837591379 /nfs/dbraw/zinc/59/13/79/837591379.db2.gz XWOUVPXTBUWZQM-UHFFFAOYSA-N 0 0 398.488 3.612 20 10 GHCDRN COc1cc(O)c(CN2CCc3cccc(Br)c3C2)cc1OC ZINC000160217169 834609033 /nfs/dbraw/zinc/60/90/33/834609033.db2.gz KGSILVNZFCSWAW-UHFFFAOYSA-N 0 0 378.266 3.730 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)c2cc(Br)cnc2Cl)cc1 ZINC000065669892 834610368 /nfs/dbraw/zinc/61/03/68/834610368.db2.gz UVGQPKYWPAPINU-UHFFFAOYSA-N 0 0 382.689 3.836 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Cc3ccccc3OC3CCCC3)CC2)cc1 ZINC001266268772 834664053 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ZINC000155149374 881354926 /nfs/dbraw/zinc/35/49/26/881354926.db2.gz LFPHCIIAEBCIRK-VIFPVBQESA-N 0 0 395.209 3.563 20 10 GHCDRN CC(C)c1ccc(OCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000060106135 858877490 /nfs/dbraw/zinc/87/74/90/858877490.db2.gz LPLYCEMMVFFRBW-GOSISDBHSA-N 0 0 382.504 3.903 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000160426391 858898861 /nfs/dbraw/zinc/89/88/61/858898861.db2.gz KMXWAWFTQWMPKB-RDJZCZTQSA-N 0 0 397.313 3.644 20 10 GHCDRN CN1CCCc2cc(CN3C(=O)CN(Cc4ccc(Cl)cc4)C3=O)ccc21 ZINC000761179231 858928665 /nfs/dbraw/zinc/92/86/65/858928665.db2.gz OPYWJGNRPMPABH-UHFFFAOYSA-N 0 0 383.879 3.687 20 10 GHCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)O[C@@H](c1ccccn1)C(F)(F)F ZINC000160506850 858966895 /nfs/dbraw/zinc/96/68/95/858966895.db2.gz IGJAJQWPHWUBHL-AIADIJKESA-N 0 0 392.377 3.778 20 10 GHCDRN COc1ccc(NC(=S)NCc2cccc(Br)c2O)cc1F ZINC000765976177 858980521 /nfs/dbraw/zinc/98/05/21/858980521.db2.gz JPWQSBPBEQKEBN-UHFFFAOYSA-N 0 0 385.258 3.789 20 10 GHCDRN O=C(NCc1cc(NC(=O)[C@H]2CCCCS2)ccc1O)[C@H]1CCCCS1 ZINC000923119019 859037707 /nfs/dbraw/zinc/03/77/07/859037707.db2.gz AUDMSKQZBVNVSR-IAGOWNOFSA-N 0 0 394.562 3.518 20 10 GHCDRN COc1ccc(NC(=O)[C@H]2CCCN2Cc2cc(Cl)cc(OC)c2O)cc1 ZINC000761192224 859048461 /nfs/dbraw/zinc/04/84/61/859048461.db2.gz HVYKXCHZZQWZCD-QGZVFWFLSA-N 0 0 390.867 3.666 20 10 GHCDRN COc1cccc(CNC(=O)N[C@@H](c2ccco2)c2ccccc2OC)c1O ZINC000160608801 859055968 /nfs/dbraw/zinc/05/59/68/859055968.db2.gz LXQBMVATJPXJJC-LJQANCHMSA-N 0 0 382.416 3.591 20 10 GHCDRN COc1cc(Cl)cc(C[NH2+]CCc2cc(Cl)c3c(c2)OCCO3)c1O ZINC000761197755 859062402 /nfs/dbraw/zinc/06/24/02/859062402.db2.gz CUCVGTJUNYTRIN-UHFFFAOYSA-N 0 0 384.259 3.811 20 10 GHCDRN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1O ZINC000761214439 859305204 /nfs/dbraw/zinc/30/52/04/859305204.db2.gz BOGPOMVNBKHXEM-CHWSQXEVSA-N 0 0 384.904 3.789 20 10 GHCDRN COc1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc(OC)c1O ZINC000764288436 859355858 /nfs/dbraw/zinc/35/58/58/859355858.db2.gz SHMDETZTLSAIIY-UHFFFAOYSA-N 0 0 383.400 3.551 20 10 GHCDRN COCc1ccc(/C=C2\SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)o1 ZINC000764412651 859443023 /nfs/dbraw/zinc/44/30/23/859443023.db2.gz SXRKKZQEVDPCKN-SXGWCWSVSA-N 0 0 388.470 3.790 20 10 GHCDRN Cc1cc(C(=O)N[C@H](CCO)C2CCOCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000764413926 859443114 /nfs/dbraw/zinc/44/31/14/859443114.db2.gz WJNIGKYKCMBUCX-HXUWFJFHSA-N 0 0 390.911 3.655 20 10 GHCDRN CC(C)(C)c1cnc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)s1 ZINC000804233106 859500443 /nfs/dbraw/zinc/50/04/43/859500443.db2.gz XDQOOOGEXUEOPP-UHFFFAOYSA-N 0 0 379.869 3.768 20 10 GHCDRN C[C@H]([NH2+]Cc1nc(CN(C)C)cs1)c1cc(Br)c(F)cc1[O-] ZINC000903220524 859551383 /nfs/dbraw/zinc/55/13/83/859551383.db2.gz ORVFJNOGURWXFJ-VIFPVBQESA-N 0 0 388.306 3.663 20 10 GHCDRN CCCCCC[C@@]1(C)NC(=O)N(C2CCN(c3ccc(OC)cc3)CC2)C1=O ZINC000761222389 859562281 /nfs/dbraw/zinc/56/22/81/859562281.db2.gz MSRRNIGIWIIPMN-JOCHJYFZSA-N 0 0 387.524 3.945 20 10 GHCDRN C[C@@H]1CCCC[C@@H]1OCCNC(=O)NCc1cccc(Br)c1O ZINC000764764794 859594272 /nfs/dbraw/zinc/59/42/72/859594272.db2.gz RHNNQEJOGBQHDL-DOMZBBRYSA-N 0 0 385.302 3.549 20 10 GHCDRN COc1cccc([C@H](O)C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)c1 ZINC000764771682 859605568 /nfs/dbraw/zinc/60/55/68/859605568.db2.gz GZDQBCFRFXVLBZ-QFIPXVFZSA-N 0 0 394.471 3.617 20 10 GHCDRN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NCc1cccc(Br)c1O ZINC000764782294 859609474 /nfs/dbraw/zinc/60/94/74/859609474.db2.gz XJGZWUMVZQVIBG-BZNIZROVSA-N 0 0 375.266 3.887 20 10 GHCDRN Cc1ccc(CC[C@@H](C)NC(=O)NCc2cccc(Br)c2O)o1 ZINC000764788893 859610127 /nfs/dbraw/zinc/61/01/27/859610127.db2.gz CLPQCZNKRCJBFX-LLVKDONJSA-N 0 0 381.270 3.877 20 10 GHCDRN C[C@H](NC(=O)NCc1cccc(Br)c1O)c1cccc(F)c1F ZINC000764798599 859612024 /nfs/dbraw/zinc/61/20/24/859612024.db2.gz FYSDADQACHXYBS-VIFPVBQESA-N 0 0 385.208 3.993 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)N[C@H]1CCOc2c(F)cccc21 ZINC000764804362 859615625 /nfs/dbraw/zinc/61/56/25/859615625.db2.gz 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CN(C)c1ccc(CN(C)C(=O)CSc2nc(-c3ccccc3)no2)cc1 ZINC000727745207 860200067 /nfs/dbraw/zinc/20/00/67/860200067.db2.gz QJOZDKPPNOSQTG-UHFFFAOYSA-N 0 0 382.489 3.553 20 10 GHCDRN Cc1cc(Br)ccc1CN(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000765633242 860357319 /nfs/dbraw/zinc/35/73/19/860357319.db2.gz FLFKFSFADJUKAB-XBXARRHUSA-N 0 0 376.250 3.841 20 10 GHCDRN CC(C)(C)OC(=O)C1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000896122032 860396397 /nfs/dbraw/zinc/39/63/97/860396397.db2.gz SXSSIMJAMCQTPO-UHFFFAOYSA-N 0 0 377.462 3.506 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1nnc(-c2ccccc2)n1C ZINC000728164077 860408967 /nfs/dbraw/zinc/40/89/67/860408967.db2.gz JGNWZNCPFGCRGH-UHFFFAOYSA-N 0 0 391.519 3.528 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000765707954 860429936 /nfs/dbraw/zinc/42/99/36/860429936.db2.gz LYZPQKUYDHONLU-FUHWJXTLSA-N 0 0 380.410 3.870 20 10 GHCDRN C[C@H](CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)C1CC1 ZINC000920034128 881542565 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ZINC000765752032 860569555 /nfs/dbraw/zinc/56/95/55/860569555.db2.gz VSGDYCNABSJVJB-UHFFFAOYSA-N 0 0 392.146 3.841 20 10 GHCDRN CCN(Cc1ccc(OC)c(OC)c1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000265889361 860603629 /nfs/dbraw/zinc/60/36/29/860603629.db2.gz DVRAIXGLVIEXJR-UHFFFAOYSA-N 0 0 395.503 3.812 20 10 GHCDRN COc1ccc(N2CCN(Cc3csc(C(F)(F)F)n3)CC2)c(OC)c1 ZINC001141886004 860646315 /nfs/dbraw/zinc/64/63/15/860646315.db2.gz HROXXAXNJHIKGA-UHFFFAOYSA-N 0 0 387.427 3.501 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@H](CO)[C@@H]2CCCOC2)cc1 ZINC000840520972 860679699 /nfs/dbraw/zinc/67/96/99/860679699.db2.gz AHTGIVIRNWAAJU-IIBYNOLFSA-N 0 0 396.491 3.685 20 10 GHCDRN CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3cc(Br)cc(F)c3[O-])C2)n1 ZINC000922863126 860688289 /nfs/dbraw/zinc/68/82/89/860688289.db2.gz YVFAKUSWWAVDHV-JOYOIKCWSA-N 0 0 384.249 3.665 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)c2ccc3sccc3c2)cc1 ZINC000761309542 860706460 /nfs/dbraw/zinc/70/64/60/860706460.db2.gz AWNQLLFYBODKBD-UHFFFAOYSA-N 0 0 382.485 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C[C@H]1C[C@H](c2ccccc2)CN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000115663848 882583554 /nfs/dbraw/zinc/58/35/54/882583554.db2.gz JTVUGTDIHNWSAL-PXNSSMCTSA-N 0 0 397.494 3.750 20 10 GHCDRN Cc1cccnc1[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(C)C ZINC000115667930 882584579 /nfs/dbraw/zinc/58/45/79/882584579.db2.gz KJGGXNRZNQDNRJ-GHTZIAJQSA-N 0 0 396.535 3.984 20 10 GHCDRN C[C@@H](NC(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1)c1ccc(N(C)C)cc1 ZINC000775635947 872159469 /nfs/dbraw/zinc/15/94/69/872159469.db2.gz FSYWOZNXAQKZAT-DLBZAZTESA-N 0 0 382.508 3.860 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCc2nc(C(C)C)ncc2C1 ZINC000857852299 882588908 /nfs/dbraw/zinc/58/89/08/882588908.db2.gz PMKYGPKYAGPDAQ-KRWDZBQOSA-N 0 0 395.551 3.673 20 10 GHCDRN O=C(NC[C@H]1Cc2ccccc2O1)N(Cc1ccco1)Cc1ccccc1O ZINC000101790938 872251320 /nfs/dbraw/zinc/25/13/20/872251320.db2.gz XJSXEDQPCQLMNN-LJQANCHMSA-N 0 0 378.428 3.701 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Nc3cc4n[nH]cc4c(C)c3)CC2)cc1 ZINC000767130588 872285476 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COc1ccc(N2CCC(NS(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1 ZINC000110463968 878132840 /nfs/dbraw/zinc/13/28/40/878132840.db2.gz NYOSLKVTOVDIAD-UHFFFAOYSA-N 0 0 388.533 3.766 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3cn(C(C)(C)C)nc3C)C2)cc1 ZINC000852254753 878178672 /nfs/dbraw/zinc/17/86/72/878178672.db2.gz GSHAYZGGKJUBRJ-RDJZCZTQSA-N 0 0 399.539 3.594 20 10 GHCDRN CCn1nccc1CNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000852308946 878225761 /nfs/dbraw/zinc/22/57/61/878225761.db2.gz RZORIKLKJNPEBE-OAHLLOKOSA-N 0 0 389.931 3.792 20 10 GHCDRN CC(=O)c1cc(F)cc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1O ZINC000852334513 878253994 /nfs/dbraw/zinc/25/39/94/878253994.db2.gz SWNAWQDHOQOLHF-UHFFFAOYSA-N 0 0 396.340 3.751 20 10 GHCDRN Cn1nc([C@@H]2CCCO2)cc1NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000788727251 878279379 /nfs/dbraw/zinc/27/93/79/878279379.db2.gz XXIDCAPVZUHLSG-IBGZPJMESA-N 0 0 396.447 3.805 20 10 GHCDRN CC[C@H](CO)C(=O)Nc1cc(N)ccc1/N=N/c1ccc(Br)cn1 ZINC001183171765 912330240 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20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N(C)[C@H](C)c3sc(C)nc3C)C2)cc1 ZINC000852454009 878335180 /nfs/dbraw/zinc/33/51/80/878335180.db2.gz NNXIMTMPJKNPHN-ZBFHGGJFSA-N 0 0 388.537 3.750 20 10 GHCDRN CCC(O)(CC)C(C)(C)CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000852476341 878361835 /nfs/dbraw/zinc/36/18/35/878361835.db2.gz NVYOQSRZRTWOSD-UHFFFAOYSA-N 0 0 391.556 3.541 20 10 GHCDRN C[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000788908914 878446040 /nfs/dbraw/zinc/44/60/40/878446040.db2.gz JFPWFGCJUMPXIC-ONGXBYRLSA-N 0 0 383.467 3.579 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)NCc2c(C3CCC3)cnn2C)cc1 ZINC000852608202 878466463 /nfs/dbraw/zinc/46/64/63/878466463.db2.gz UHSKZEJZEGORHE-UHFFFAOYSA-N 0 0 383.540 3.875 20 10 GHCDRN CSCc1noc(CCC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)n1 ZINC000746774787 878472083 /nfs/dbraw/zinc/47/20/83/878472083.db2.gz BVLOUHPTIDKSCK-UHFFFAOYSA-N 0 0 398.532 3.632 20 10 GHCDRN C[C@H](OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)c1ccccc1Br ZINC000789072303 878584756 /nfs/dbraw/zinc/58/47/56/878584756.db2.gz HJPBJOHHYVGVFX-DJYGCBNOSA-N 0 0 391.217 3.688 20 10 GHCDRN C[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(C#N)cc1 ZINC000068479298 878609215 /nfs/dbraw/zinc/60/92/15/878609215.db2.gz FECDHCQCGDVYRS-IRXDYDNUSA-N 0 0 378.476 3.516 20 10 GHCDRN COc1ccccc1[C@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068480681 878612312 /nfs/dbraw/zinc/61/23/12/878612312.db2.gz GNRRPBCUKHIQOM-IRXDYDNUSA-N 0 0 383.492 3.653 20 10 GHCDRN COc1c(O)c(CN2CCc3cccc(C(F)(F)F)c3C2)ccc1[N+](=O)[O-] ZINC001183206315 912368708 /nfs/dbraw/zinc/36/87/08/912368708.db2.gz OTTMYVTVCCFUJI-UHFFFAOYSA-N 0 0 382.338 3.886 20 10 GHCDRN CCOC(=O)CN1C(=O)/C(=C\c2cnc(-c3ccco3)s2)c2ccccc21 ZINC000789141395 878668105 /nfs/dbraw/zinc/66/81/05/878668105.db2.gz DTKGXDFIWOUCJM-GDNBJRDFSA-N 0 0 380.425 3.853 20 10 GHCDRN Nc1ccc(CC(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)cc1 ZINC000238072321 878684004 /nfs/dbraw/zinc/68/40/04/878684004.db2.gz WVIVWGJNBQIVIV-NRFANRHFSA-N 0 0 391.540 3.789 20 10 GHCDRN Nc1ccc(CC(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000238072573 878684822 /nfs/dbraw/zinc/68/48/22/878684822.db2.gz BRMPVRIMGOWJEN-UHFFFAOYSA-N 0 0 382.467 3.980 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCN(c3ccccc3F)C2)c1 ZINC000152476876 878720069 /nfs/dbraw/zinc/72/00/69/878720069.db2.gz VHDULHXRKNTJKR-GJZGRUSLSA-N 0 0 387.455 3.569 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCN(c3ccccc3F)C2)c1 ZINC000152476702 878721016 /nfs/dbraw/zinc/72/10/16/878721016.db2.gz VHDULHXRKNTJKR-LSDHHAIUSA-N 0 0 387.455 3.569 20 10 GHCDRN COc1ccccc1-c1nc(C(=O)NCc2ccc(N(C)C)c(F)c2)cs1 ZINC000746803792 878874032 /nfs/dbraw/zinc/87/40/32/878874032.db2.gz NETUXXYRLAFBMR-UHFFFAOYSA-N 0 0 385.464 3.954 20 10 GHCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNc3cc(Cl)c4ncccc4n3)cc2)C1 ZINC000853217870 878901215 /nfs/dbraw/zinc/90/12/15/878901215.db2.gz IHBDPFBPANEELP-OAHLLOKOSA-N 0 0 395.894 3.597 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3cc(F)c(F)cc3F)cc2F)C[C@H](C)O1 ZINC000746810292 878927129 /nfs/dbraw/zinc/92/71/29/878927129.db2.gz QJQGTZHXGOJLDQ-TXEJJXNPSA-N 0 0 396.384 3.787 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2c2nccc(C(F)(F)F)n2)cc1 ZINC000853245147 878930325 /nfs/dbraw/zinc/93/03/25/878930325.db2.gz UBIVUUNBJUHCIV-OAHLLOKOSA-N 0 0 393.413 3.608 20 10 GHCDRN CN(CC(=O)Nc1c(F)cc(F)cc1Br)Cc1ccccc1O ZINC000111235478 878959653 /nfs/dbraw/zinc/95/96/53/878959653.db2.gz ACSYWQBYFDENLC-UHFFFAOYSA-N 0 0 385.208 3.503 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1CN1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC001183301237 912408334 /nfs/dbraw/zinc/40/83/34/912408334.db2.gz UNBQSRVSVNAEES-UHFFFAOYSA-N 0 0 391.284 3.612 20 10 GHCDRN CCN(C[C@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1)CC(F)(F)F ZINC000093770954 912431390 /nfs/dbraw/zinc/43/13/90/912431390.db2.gz XXHMKQQGFUZHHK-LLVKDONJSA-N 0 0 395.809 3.660 20 10 GHCDRN CC[C@@H](C)Oc1cc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)ccn1 ZINC000180701300 879227256 /nfs/dbraw/zinc/22/72/56/879227256.db2.gz DOJHFQDRWICTGN-QGZVFWFLSA-N 0 0 380.492 3.635 20 10 GHCDRN CS(=O)(=O)Nc1ccc(-c2noc(-c3ccc(-n4cccc4)cc3)n2)cc1 ZINC000761528196 879234630 /nfs/dbraw/zinc/23/46/30/879234630.db2.gz OFIZAZCTLKBHJJ-UHFFFAOYSA-N 0 0 380.429 3.566 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(I)c[nH]1 ZINC000801548691 879283391 /nfs/dbraw/zinc/28/33/91/879283391.db2.gz MDDKZQDXFWSTBX-UHFFFAOYSA-N 0 0 398.244 3.767 20 10 GHCDRN CCC[C@H](CCCS(C)(=O)=O)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000789917720 879332449 /nfs/dbraw/zinc/33/24/49/879332449.db2.gz YMAVUZNLDFAOLD-LJQANCHMSA-N 0 0 394.581 3.534 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)NCc1c[nH]c(=O)c2ccccc12 ZINC000914180232 879365930 /nfs/dbraw/zinc/36/59/30/879365930.db2.gz IXFKBJRWGJJOHH-UHFFFAOYSA-N 0 0 376.460 3.540 20 10 GHCDRN CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000789982958 879377207 /nfs/dbraw/zinc/37/72/07/879377207.db2.gz FNSXPYISPGKUMB-FPOVZHCZSA-N 0 0 385.552 3.720 20 10 GHCDRN Cc1cc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)ccc1C(N)=O ZINC000111762042 879402748 /nfs/dbraw/zinc/40/27/48/879402748.db2.gz RDPODCZJSMDBDD-UHFFFAOYSA-N 0 0 379.416 3.627 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1 ZINC000170900832 879574132 /nfs/dbraw/zinc/57/41/32/879574132.db2.gz XPPDTSRUSCZPFW-CQSZACIVSA-N 0 0 377.444 3.566 20 10 GHCDRN CCC(=O)c1cccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000152725627 879616982 /nfs/dbraw/zinc/61/69/82/879616982.db2.gz KNYPJUPSMBZPBX-INIZCTEOSA-N 0 0 381.476 3.999 20 10 GHCDRN COc1cc(C)nc(/C=C2\SC(=S)N(c3ccc(OC)c(F)c3)C2=O)c1 ZINC000776726269 879663286 /nfs/dbraw/zinc/66/32/86/879663286.db2.gz ICNMNQQGPRSUBS-PXNMLYILSA-N 0 0 390.461 3.952 20 10 GHCDRN CCC1=C(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CCCO1 ZINC000790368174 879672402 /nfs/dbraw/zinc/67/24/02/879672402.db2.gz ROQPQUGRXCSJFS-GJZGRUSLSA-N 0 0 376.472 3.530 20 10 GHCDRN CCCOc1cccc(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000854278153 879691246 /nfs/dbraw/zinc/69/12/46/879691246.db2.gz RFOPZOZJNPRXCF-UHFFFAOYSA-N 0 0 383.492 3.758 20 10 GHCDRN CCN(C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@H](C)Cc1ccsc1 ZINC000854298838 879703012 /nfs/dbraw/zinc/70/30/12/879703012.db2.gz IEUYAWUROAHCGI-SJLPKXTDSA-N 0 0 387.549 3.998 20 10 GHCDRN Cc1cc(O)c(CN2CCNC(=O)[C@@H]2c2ccc(OC(F)(F)F)cc2)cc1C ZINC000790463614 879726702 /nfs/dbraw/zinc/72/67/02/879726702.db2.gz SWANMWACODQWKV-SFHVURJKSA-N 0 0 394.393 3.581 20 10 GHCDRN COc1cc(C)nc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c1 ZINC000776727470 879737589 /nfs/dbraw/zinc/73/75/89/879737589.db2.gz XOSXXBWUPVCNLE-FRKPEAEDSA-N 0 0 386.454 3.533 20 10 GHCDRN O=C(CSCc1cscn1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000746919711 879765842 /nfs/dbraw/zinc/76/58/42/879765842.db2.gz LIYHJWODFOZNOC-UHFFFAOYSA-N 0 0 381.486 3.725 20 10 GHCDRN C[C@H](O)[C@@](C)(CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)Cc1ccccc1 ZINC000790501859 879774410 /nfs/dbraw/zinc/77/44/10/879774410.db2.gz JBRQYDWJJWWPGN-IUKKYPGJSA-N 0 0 383.536 3.743 20 10 GHCDRN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000181137804 879787174 /nfs/dbraw/zinc/78/71/74/879787174.db2.gz OFVKYJZJOSHOEG-BQYDLMEBSA-N 0 0 381.472 3.670 20 10 GHCDRN O=S(=O)(C[C@H]1CCCO1)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000776744029 879832902 /nfs/dbraw/zinc/83/29/02/879832902.db2.gz PHHVLMRZJXFYET-CYBMUJFWSA-N 0 0 390.486 3.590 20 10 GHCDRN COc1ccc(NC(=O)c2cccc(O)c2O)cc1NC(=O)C1CCCCC1 ZINC000790727630 879965791 /nfs/dbraw/zinc/96/57/91/879965791.db2.gz RTJRSKLLHPNLCU-UHFFFAOYSA-N 0 0 384.432 3.878 20 10 GHCDRN CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCCN2C(=O)C2=CC(=O)CS2)C1 ZINC000854665243 879988662 /nfs/dbraw/zinc/98/86/62/879988662.db2.gz PUYDTCCHZBRKSM-UKRRQHHQSA-N 0 0 380.510 3.705 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)Cc3cccc(OC)c3Cl)C2)cc1 ZINC000854980628 880194385 /nfs/dbraw/zinc/19/43/85/880194385.db2.gz DNISKVLDXVDSJW-OAHLLOKOSA-N 0 0 388.895 3.542 20 10 GHCDRN CC[C@@H](C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000791138866 880240744 /nfs/dbraw/zinc/24/07/44/880240744.db2.gz LYNOIUPDLQDAFS-QGZVFWFLSA-N 0 0 375.852 3.741 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2COC(C)(C)C2)c(C)n1-c1ccc(Br)cn1 ZINC000855175733 880327356 /nfs/dbraw/zinc/32/73/56/880327356.db2.gz UIMDXDMGKAXJGJ-CQSZACIVSA-N 0 0 392.297 3.549 20 10 GHCDRN C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)c1ncccc1F ZINC000791338835 880340577 /nfs/dbraw/zinc/34/05/77/880340577.db2.gz BRKPKTCNWMDDQJ-APWZRJJASA-N 0 0 385.483 3.598 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cnn(C4CCCCC4)c3C)C2)cc1 ZINC000855225887 880370019 /nfs/dbraw/zinc/37/00/19/880370019.db2.gz LPFCQKHZFHTEKE-QGZVFWFLSA-N 0 0 382.508 3.714 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)C3(c4ccc(F)cc4F)CCC3)C2)cc1 ZINC000855226397 880371109 /nfs/dbraw/zinc/37/11/09/880371109.db2.gz ONQCYSBYKYCXCE-MRXNPFEDSA-N 0 0 386.442 3.790 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCCc4ccc(OC)cc43)C2)cc1 ZINC000855227587 880371161 /nfs/dbraw/zinc/37/11/61/880371161.db2.gz YGUQLXOTMZHMFE-UTKZUKDTSA-N 0 0 380.488 3.519 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ccc([C@H]4CCCOC4)cc3)C2)cc1 ZINC000855227975 880372028 /nfs/dbraw/zinc/37/20/28/880372028.db2.gz SKVBPUDYYBKLAM-VQTJNVASSA-N 0 0 380.488 3.598 20 10 GHCDRN CCCOc1ccc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c(OC)c1 ZINC000855227813 880372167 /nfs/dbraw/zinc/37/21/67/880372167.db2.gz ZMTZJBKNNNUMMY-MRXNPFEDSA-N 0 0 384.476 3.501 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)/C(C)=C/c3ccc(OC)c(F)c3)C2)cc1 ZINC000855228061 880372206 /nfs/dbraw/zinc/37/22/06/880372206.db2.gz UQXSFOUXNOVHKK-OKACTXMXSA-N 0 0 384.451 3.641 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3ccc([C@H]4CCCOC4)cc3)C2)cc1 ZINC000855227973 880372348 /nfs/dbraw/zinc/37/23/48/880372348.db2.gz SKVBPUDYYBKLAM-PMACEKPBSA-N 0 0 380.488 3.598 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3ccccc3NC(=O)C(C)(C)C)C2)cc1 ZINC000855230527 880375795 /nfs/dbraw/zinc/37/57/95/880375795.db2.gz OQRODBYUPQFXAW-INIZCTEOSA-N 0 0 395.503 3.689 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3c(F)cccc3Br)C2)cc1 ZINC000855232218 880376440 /nfs/dbraw/zinc/37/64/40/880376440.db2.gz RDOOQDOWQMXSOY-LBPRGKRZSA-N 0 0 393.256 3.606 20 10 GHCDRN CN1CCCc2cc(CNC(=O)C(=O)Nc3ccccc3C(C)(C)C)ccc21 ZINC000747016442 880445242 /nfs/dbraw/zinc/44/52/42/880445242.db2.gz BNOORKKDCXVYDF-UHFFFAOYSA-N 0 0 379.504 3.621 20 10 GHCDRN C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000772775782 880521471 /nfs/dbraw/zinc/52/14/71/880521471.db2.gz OHHSRBAWCQGGPJ-DKSFEKEHSA-N 0 0 395.333 3.700 20 10 GHCDRN CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc(C)cc(Br)c2[O-])C1 ZINC000776811979 880525117 /nfs/dbraw/zinc/52/51/17/880525117.db2.gz QJTKQWYNELTEBX-UONOGXRCSA-N 0 0 399.329 3.810 20 10 GHCDRN Cc1cc(C(=O)N2CCOC[C@H]2c2cccc(F)c2)c(C)n1-c1ccccn1 ZINC000855844280 880809449 /nfs/dbraw/zinc/80/94/49/880809449.db2.gz NRYLOCHOCDAYCZ-FQEVSTJZSA-N 0 0 379.435 3.842 20 10 GHCDRN CC[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(F)cc1[O-] ZINC000286183770 912610891 /nfs/dbraw/zinc/61/08/91/912610891.db2.gz QYBKUGFELLSODZ-SCLBCKFNSA-N 0 0 380.485 3.584 20 10 GHCDRN CCC[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@H](O)c1ccccc1 ZINC000792057408 880871719 /nfs/dbraw/zinc/87/17/19/880871719.db2.gz DBLHDTPQKVPPMZ-IFMALSPDSA-N 0 0 381.520 3.771 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1cnc2ccccc2c1 ZINC000792035001 880886936 /nfs/dbraw/zinc/88/69/36/880886936.db2.gz IAJARSRRQVDEQI-UHFFFAOYSA-N 0 0 389.499 3.663 20 10 GHCDRN Cc1cc(C)c2c(c1)CN(C(=O)N[C@@H](C)c1ccc(N3CCOCC3)cc1)CC2 ZINC000776861570 880906958 /nfs/dbraw/zinc/90/69/58/880906958.db2.gz WTVCZYJUOGSHBL-IBGZPJMESA-N 0 0 393.531 3.969 20 10 GHCDRN CCn1cc([C@H](O)C[N@H+](Cc2ccccc2)Cc2cccc(Cl)c2[O-])cn1 ZINC000792184348 880973127 /nfs/dbraw/zinc/97/31/27/880973127.db2.gz ACSPMUFYYHOKCJ-HXUWFJFHSA-N 0 0 385.895 3.998 20 10 GHCDRN CCOc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2cnn(CC)c2)c(O)c1 ZINC000792188345 880975674 /nfs/dbraw/zinc/97/56/74/880975674.db2.gz ODPRPEYDUZIEOM-QHCPKHFHSA-N 0 0 395.503 3.743 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000792251022 881003919 /nfs/dbraw/zinc/00/39/19/881003919.db2.gz NCNPCPIRFKZGMB-INIZCTEOSA-N 0 0 392.544 3.587 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1c[nH]c2cc(Cl)ccc12 ZINC000856210513 881044531 /nfs/dbraw/zinc/04/45/31/881044531.db2.gz FYWPJPCFZJQCLK-UHFFFAOYSA-N 0 0 383.879 3.712 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000856210602 881044847 /nfs/dbraw/zinc/04/48/47/881044847.db2.gz JECGJNPCWRRGKD-UHFFFAOYSA-N 0 0 396.384 3.736 20 10 GHCDRN Cc1nc(-c2ccco2)ccc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856210845 881044931 /nfs/dbraw/zinc/04/49/31/881044931.db2.gz SJNZYBBTCMNWMD-UHFFFAOYSA-N 0 0 391.471 3.541 20 10 GHCDRN CC(C)c1cccc(O[C@@H](C)C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000856210696 881045037 /nfs/dbraw/zinc/04/50/37/881045037.db2.gz MVWKFIYZRUTQJD-SFHVURJKSA-N 0 0 396.531 3.855 20 10 GHCDRN C[C@H](CC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1c[nH]c2ccccc21 ZINC000856213282 881047169 /nfs/dbraw/zinc/04/71/69/881047169.db2.gz FVQQLDVBYCYQIB-QGZVFWFLSA-N 0 0 391.515 3.939 20 10 GHCDRN O=C(Cc1cccc(Cl)c1Cl)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856213698 881048087 /nfs/dbraw/zinc/04/80/87/881048087.db2.gz TWRNJPOTBDEPQF-UHFFFAOYSA-N 0 0 393.314 3.813 20 10 GHCDRN CC[C@H](C)n1ncc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1C ZINC000792479790 881135767 /nfs/dbraw/zinc/13/57/67/881135767.db2.gz ZAEDEJBFZRPLJV-INIZCTEOSA-N 0 0 385.512 3.663 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NCCOc3cc(C)cc(C)c3)CC2)cc1 ZINC000919916465 881140099 /nfs/dbraw/zinc/14/00/99/881140099.db2.gz GYUWKWKXOADGMM-UHFFFAOYSA-N 0 0 397.519 3.613 20 10 GHCDRN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1cn(-c2ccccc2)nn1 ZINC000181339904 883142376 /nfs/dbraw/zinc/14/23/76/883142376.db2.gz LEIWMOIRFGIFPR-DLBZAZTESA-N 0 0 395.482 3.655 20 10 GHCDRN CN(C)c1ccc(CNC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)cc1F ZINC000116150982 883158170 /nfs/dbraw/zinc/15/81/70/883158170.db2.gz DYSQOLQYOMGMCD-UHFFFAOYSA-N 0 0 398.478 3.791 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858520048 883169402 /nfs/dbraw/zinc/16/94/02/883169402.db2.gz OZDCJZYNVWEANJ-ZUZCIYMTSA-N 0 0 393.802 3.549 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N[C@H](c3ccccn3)C3CCC3)C2)cc1 ZINC000858551408 883191533 /nfs/dbraw/zinc/19/15/33/883191533.db2.gz DXQNLEKZNHSQRV-JTSKRJEESA-N 0 0 394.519 3.757 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cc(F)ccc1-n1cccn1 ZINC001129819754 883229579 /nfs/dbraw/zinc/22/95/79/883229579.db2.gz LZBNGZBAIZQQSD-INIZCTEOSA-N 0 0 380.467 3.747 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CCCCN1C(=O)CC(C)C ZINC001129820307 883231336 /nfs/dbraw/zinc/23/13/36/883231336.db2.gz UFODTRCCRFESON-RXVVDRJESA-N 0 0 387.568 3.535 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000804682074 883239081 /nfs/dbraw/zinc/23/90/81/883239081.db2.gz DGKLBBSXRGNKRJ-QFIPXVFZSA-N 0 0 393.531 3.759 20 10 GHCDRN C[C@@H](NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCC1)c1ccc(N(C)C)cc1 ZINC000804683511 883241490 /nfs/dbraw/zinc/24/14/90/883241490.db2.gz MRIUTHKHNJXWHY-IERDGZPVSA-N 0 0 379.504 3.587 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(C(F)F)c1F ZINC000858626084 883241447 /nfs/dbraw/zinc/24/14/47/883241447.db2.gz OCKQZBVZKTYVNA-UHFFFAOYSA-N 0 0 382.357 3.669 20 10 GHCDRN CC(C)Cc1ccccc1CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000858651962 883256384 /nfs/dbraw/zinc/25/63/84/883256384.db2.gz YMXIIWZAKXSWFQ-UHFFFAOYSA-N 0 0 395.547 3.846 20 10 GHCDRN CCC[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1)c1ccccn1 ZINC000804702725 883292929 /nfs/dbraw/zinc/29/29/29/883292929.db2.gz FHHZCQDCDOCRGS-OAQYLSRUSA-N 0 0 396.535 3.544 20 10 GHCDRN O=C(CCCOCc1ccccc1)NCc1cc(Br)ccc1O ZINC000804733142 883314915 /nfs/dbraw/zinc/31/49/15/883314915.db2.gz JSNZZWDRDNXWRM-UHFFFAOYSA-N 0 0 378.266 3.768 20 10 GHCDRN Cc1nc(C(F)(F)F)ccc1C(=O)NCc1cc(Br)ccc1O ZINC000804734432 883315357 /nfs/dbraw/zinc/31/53/57/883315357.db2.gz LBNXXAOLFBHDEV-UHFFFAOYSA-N 0 0 389.171 3.807 20 10 GHCDRN O=C(CSc1nc2ccccc2o1)NCc1cc(Br)ccc1O ZINC000804733002 883315577 /nfs/dbraw/zinc/31/55/77/883315577.db2.gz AIIHFSOCXFSRAP-UHFFFAOYSA-N 0 0 393.262 3.704 20 10 GHCDRN CC[C@@H](C(=O)NCc1cc(Br)ccc1O)c1ccc(OC)cc1 ZINC000804736440 883319754 /nfs/dbraw/zinc/31/97/54/883319754.db2.gz SPJWZWJBBZNTPB-MRXNPFEDSA-N 0 0 378.266 3.973 20 10 GHCDRN Cc1ccc(C(C)(C)CNC(=O)NCc2cc(Br)ccc2O)nc1 ZINC000858760565 883336280 /nfs/dbraw/zinc/33/62/80/883336280.db2.gz DYFPUEFKASYCOJ-UHFFFAOYSA-N 0 0 392.297 3.635 20 10 GHCDRN Cc1cc(N2CCCC2)ccc1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054382480 883354747 /nfs/dbraw/zinc/35/47/47/883354747.db2.gz IBJPGNBCCFIDFU-UHFFFAOYSA-N 0 0 394.519 3.754 20 10 GHCDRN Cc1ccc2occ(CC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c2c1 ZINC000858785280 883356476 /nfs/dbraw/zinc/35/64/76/883356476.db2.gz FRHQTASUZHJJNS-QGZVFWFLSA-N 0 0 378.472 3.998 20 10 GHCDRN COc1ccc([C@H]2CCN(c3cc(OC)c(OC)cc3[N+](=O)[O-])C2)cc1F ZINC000858843140 883395416 /nfs/dbraw/zinc/39/54/16/883395416.db2.gz GBOUMFXNNZQASQ-ZDUSSCGKSA-N 0 0 376.384 3.754 20 10 GHCDRN CCCCN(C)c1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000116382480 883404940 /nfs/dbraw/zinc/40/49/40/883404940.db2.gz ZAVRXCYHJSTRRI-UHFFFAOYSA-N 0 0 399.510 3.829 20 10 GHCDRN Cc1cc(CNC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)c(C)n1-c1ccccc1 ZINC000858905799 883445134 /nfs/dbraw/zinc/44/51/34/883445134.db2.gz JMFVDGOFFBEQMY-GOSISDBHSA-N 0 0 377.492 3.906 20 10 GHCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1 ZINC000858927347 883468450 /nfs/dbraw/zinc/46/84/50/883468450.db2.gz LDFBHLKCEIKAQX-IQFVJIFQSA-N 0 0 390.527 3.846 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000804960423 883513292 /nfs/dbraw/zinc/51/32/92/883513292.db2.gz QAHKNQBDYFRDSV-UHFFFAOYSA-N 0 0 385.892 3.539 20 10 GHCDRN COc1cccc(CNC(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)c1O ZINC000729858661 883522024 /nfs/dbraw/zinc/52/20/24/883522024.db2.gz AVBLLPOPZHODJB-HNNXBMFYSA-N 0 0 378.428 3.866 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](CC)c1nc(C)cs1 ZINC000286397338 912728334 /nfs/dbraw/zinc/72/83/34/912728334.db2.gz DOYJIOLAVPATRC-INIZCTEOSA-N 0 0 389.521 3.553 20 10 GHCDRN COC(=O)c1cnc(CN2CCCc3cc(OCc4ccccc4)ccc32)cn1 ZINC000859141328 883614720 /nfs/dbraw/zinc/61/47/20/883614720.db2.gz GYYULRZHKZSTFJ-UHFFFAOYSA-N 0 0 389.455 3.795 20 10 GHCDRN CC(C)(C)O[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001126657933 883637808 /nfs/dbraw/zinc/63/78/08/883637808.db2.gz MHMFLKLEJHEZHU-KBRIMQKVSA-N 0 0 382.451 3.577 20 10 GHCDRN Cc1cccc([C@H](NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000859276065 883713080 /nfs/dbraw/zinc/71/30/80/883713080.db2.gz FJRXLODHJQCOOD-OAQYLSRUSA-N 0 0 381.520 3.533 20 10 GHCDRN C[C@@H](NC(=O)C(=O)NCc1ccc(Cl)cc1Cl)c1ccc(N(C)C)cc1 ZINC000774664698 912743897 /nfs/dbraw/zinc/74/38/97/912743897.db2.gz ZEZCZHOROAPHBD-GFCCVEGCSA-N 0 0 394.302 3.553 20 10 GHCDRN O=C(NCCCSc1nccs1)C1CC(O)(c2cccc(Cl)c2)C1 ZINC000859352145 883767090 /nfs/dbraw/zinc/76/70/90/883767090.db2.gz NABTWVULHHONCO-UHFFFAOYSA-N 0 0 382.938 3.693 20 10 GHCDRN CC[C@H]1CN(C(=O)c2ccccc2SCC=C(C)C)C[C@@H](C)S1(=O)=O ZINC000805391607 883785266 /nfs/dbraw/zinc/78/52/66/883785266.db2.gz AHYIUGLSIPIZPQ-CVEARBPZSA-N 0 0 381.563 3.783 20 10 GHCDRN CNc1nc(C)cc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3C)c2C)n1 ZINC000805622992 883941445 /nfs/dbraw/zinc/94/14/45/883941445.db2.gz KPVCSNDRWYBYMM-UHFFFAOYSA-N 0 0 392.459 3.582 20 10 GHCDRN Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000859733966 884021447 /nfs/dbraw/zinc/02/14/47/884021447.db2.gz GHMCHVTVNHJJQW-VQTJNVASSA-N 0 0 382.479 3.515 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NC2CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000918592345 884024560 /nfs/dbraw/zinc/02/45/60/884024560.db2.gz FZWWEYNASYWILS-LJQANCHMSA-N 0 0 385.895 3.631 20 10 GHCDRN O=C1C[C@]2(CN1CC(F)F)CCCC[N@H+]2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001275236067 912779996 /nfs/dbraw/zinc/77/99/96/912779996.db2.gz IPLMKJDBONSKPO-KRWDZBQOSA-N 0 0 393.261 3.921 20 10 GHCDRN CN(c1ccc(CNC(=O)NCC[S@](=O)C(C)(C)C)cc1)C1CCCCC1 ZINC000116950871 884046433 /nfs/dbraw/zinc/04/64/33/884046433.db2.gz WBKLRGNZJVYOEG-HHHXNRCGSA-N 0 0 393.597 3.802 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)Nc3cnn(C[C@@H]4CCCO4)c3)c2C)cc1 ZINC000918618360 884050148 /nfs/dbraw/zinc/05/01/48/884050148.db2.gz MFRAVISFTWDJCE-FQEVSTJZSA-N 0 0 394.475 3.731 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C)nn(Cc2ccccc2)c1N ZINC000795752218 912786094 /nfs/dbraw/zinc/78/60/94/912786094.db2.gz IGIXKZQQIHGJHF-UHFFFAOYSA-N 0 0 391.519 3.550 20 10 GHCDRN Cc1cc(C(=O)N(C)Cc2cccc(C(N)=O)c2)c(C)n1-c1ccccc1C ZINC000918679288 884175547 /nfs/dbraw/zinc/17/55/47/884175547.db2.gz FGVFOAORZWXBLI-UHFFFAOYSA-N 0 0 375.472 3.774 20 10 GHCDRN Cc1cc(C(=O)COC(=O)Cn2ccc(C(F)F)n2)c(C)n1-c1ccccc1 ZINC000859924680 884177057 /nfs/dbraw/zinc/17/70/57/884177057.db2.gz NQNIBYYPRJZPFE-UHFFFAOYSA-N 0 0 387.386 3.654 20 10 GHCDRN COCCn1nc(C)c(NC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)c1C ZINC000859938409 884187708 /nfs/dbraw/zinc/18/77/08/884187708.db2.gz PNJGQUOSUPDVSA-UHFFFAOYSA-N 0 0 394.475 3.619 20 10 GHCDRN CCCc1c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cnn1-c1ccccc1C ZINC000760491053 884197315 /nfs/dbraw/zinc/19/73/15/884197315.db2.gz GZYYTQHSCPSMDN-INIZCTEOSA-N 0 0 393.487 3.905 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)NCc3cn4ccsc4n3)c2C)cc1 ZINC000914610117 884325997 /nfs/dbraw/zinc/32/59/97/884325997.db2.gz NNVIVEIYQLAIGV-UHFFFAOYSA-N 0 0 380.473 3.742 20 10 GHCDRN Cc1cc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccccn1 ZINC000914613309 884349062 /nfs/dbraw/zinc/34/90/62/884349062.db2.gz NYKRNHVQXXFRRN-AEFFLSMTSA-N 0 0 391.471 3.912 20 10 GHCDRN Nc1ccc(CCNC(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000841960988 884371130 /nfs/dbraw/zinc/37/11/30/884371130.db2.gz YSVAERRFDPLTKP-GOSISDBHSA-N 0 0 393.409 3.613 20 10 GHCDRN c1ncn(-c2ncccc2NCc2ccc3c(c2)CCN3Cc2ccccc2)n1 ZINC000795788514 912819669 /nfs/dbraw/zinc/81/96/69/912819669.db2.gz BDIHDVMQHWJBGQ-UHFFFAOYSA-N 0 0 382.471 3.837 20 10 GHCDRN CC[C@@H](Nc1cnn(CC(=O)NC2CCCC2)c1)c1cccc(Cl)c1O ZINC000806154979 884412902 /nfs/dbraw/zinc/41/29/02/884412902.db2.gz LXPLXKXVXWWTFY-QGZVFWFLSA-N 0 0 376.888 3.864 20 10 GHCDRN CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCOC)cc1)c1cccc(Cl)c1[O-] ZINC000806160934 884415591 /nfs/dbraw/zinc/41/55/91/884415591.db2.gz GIKGBELTMUIVIB-GOSISDBHSA-N 0 0 397.924 3.707 20 10 GHCDRN CC[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000806166833 884420283 /nfs/dbraw/zinc/42/02/83/884420283.db2.gz XWSSXXYUGTUMSD-DOMZBBRYSA-N 0 0 395.352 3.554 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)n(C[C@@H]3CCCOC3)c2C)c1 ZINC000860243152 884475630 /nfs/dbraw/zinc/47/56/30/884475630.db2.gz YRFFKDQCSLCNMO-WBVHZDCISA-N 0 0 386.492 3.737 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc3c(s2)C(=O)NC(C)(C)C3)cc1 ZINC001130557351 884480898 /nfs/dbraw/zinc/48/08/98/884480898.db2.gz CARZFMABNLPUII-UHFFFAOYSA-N 0 0 394.500 3.867 20 10 GHCDRN CN(C)c1cc(F)c(CN[C@H](c2nccn2C)c2ccc(F)c(F)c2)cc1F ZINC000898108030 884593012 /nfs/dbraw/zinc/59/30/12/884593012.db2.gz HYCVLELIQFSZJI-IBGZPJMESA-N 0 0 392.400 3.922 20 10 GHCDRN CCOc1cc(C(=O)N(C)C)ccc1NCc1cccc(Br)c1O ZINC000795801460 912843810 /nfs/dbraw/zinc/84/38/10/912843810.db2.gz JYYYKRHMZFAYOO-UHFFFAOYSA-N 0 0 393.281 3.867 20 10 GHCDRN CC(C)CCn1nccc1NC(=O)NCc1cc(Br)ccc1O ZINC000806439900 884704581 /nfs/dbraw/zinc/70/45/81/884704581.db2.gz HQUJOMCIDGFRGK-UHFFFAOYSA-N 0 0 381.274 3.719 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccc(-n2cccc2)cc1 ZINC000914754242 884710608 /nfs/dbraw/zinc/71/06/08/884710608.db2.gz LTMWRVPWRGFJBR-UHFFFAOYSA-N 0 0 389.499 3.515 20 10 GHCDRN CON(CC(C)(C)C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000806457334 884725119 /nfs/dbraw/zinc/72/51/19/884725119.db2.gz KBVOFGMCUMDUGN-GASCZTMLSA-N 0 0 381.492 3.558 20 10 GHCDRN CN(C)c1ccc(CNC(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)cc1F ZINC000806547257 884773773 /nfs/dbraw/zinc/77/37/73/884773773.db2.gz DVZVJFGADVEOHS-UHFFFAOYSA-N 0 0 385.439 3.957 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3ccc(F)c(C(C)=O)c3)CC2)cc1F ZINC000806572021 884826098 /nfs/dbraw/zinc/82/60/98/884826098.db2.gz TUDMBBWBVJDZLJ-UHFFFAOYSA-N 0 0 389.402 3.530 20 10 GHCDRN COCc1nc(SCC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)n[nH]1 ZINC000761877529 884909974 /nfs/dbraw/zinc/90/99/74/884909974.db2.gz UUGQAYBQSSEWPJ-UHFFFAOYSA-N 0 0 384.505 3.950 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccc(C)cc2Br)cc1 ZINC001130744546 884985077 /nfs/dbraw/zinc/98/50/77/884985077.db2.gz DAIDQVVCXYBCMT-UHFFFAOYSA-N 0 0 391.309 3.975 20 10 GHCDRN C[C@H](CN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H](C)CO)c1ccccc1 ZINC000806846089 885021530 /nfs/dbraw/zinc/02/15/30/885021530.db2.gz BXNLEGLXEYPDBJ-UXHICEINSA-N 0 0 393.531 3.759 20 10 GHCDRN O=C(NC[C@H]1CCCSC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000806878194 885077938 /nfs/dbraw/zinc/07/79/38/885077938.db2.gz NIVJKQDPMLFVCV-CABCVRRESA-N 0 0 399.507 3.699 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccoc2COc2ccc(C=O)cc2)c1 ZINC000761973254 885080836 /nfs/dbraw/zinc/08/08/36/885080836.db2.gz OUMQPFTXKUFJOK-AWEZNQCLSA-N 0 0 395.411 3.876 20 10 GHCDRN CC(=O)C(C)(C)CCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000761980377 885084074 /nfs/dbraw/zinc/08/40/74/885084074.db2.gz BNZLZSIWSXINGS-KRWDZBQOSA-N 0 0 380.916 3.522 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)N(C)C)c(C)n1-c1ccc(C(C)C)cc1 ZINC000914878397 885088921 /nfs/dbraw/zinc/08/89/21/885088921.db2.gz BVGXRSZCSAVJCC-NRFANRHFSA-N 0 0 381.520 3.910 20 10 GHCDRN CC(C)c1noc([C@@H](C)OC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)n1 ZINC000914886179 885108160 /nfs/dbraw/zinc/10/81/60/885108160.db2.gz QANBPSUAVRCREG-GFCCVEGCSA-N 0 0 390.395 3.886 20 10 GHCDRN COC(=O)c1ccc([C@@H](NC(=O)NCc2cc(C)ccc2O)C(F)(F)F)cc1 ZINC000860968851 885133654 /nfs/dbraw/zinc/13/36/54/885133654.db2.gz ZATDYSIDGMOWSD-MRXNPFEDSA-N 0 0 396.365 3.590 20 10 GHCDRN Cc1cc(C(=O)O[C@H](C(=O)N2CCC[C@H](C)C2)C(C)C)c(C)n1-c1ccccn1 ZINC000914903561 885136476 /nfs/dbraw/zinc/13/64/76/885136476.db2.gz ODGNYDHWFOCENC-KKSFZXQISA-N 0 0 397.519 3.929 20 10 GHCDRN Cc1cc(C(=O)OCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)c(C)n1-c1ccccn1 ZINC000914905310 885141596 /nfs/dbraw/zinc/14/15/96/885141596.db2.gz HRPOWVCGDYOADT-ICSRJNTNSA-N 0 0 395.503 3.827 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)cc1F ZINC000153409498 885194703 /nfs/dbraw/zinc/19/47/03/885194703.db2.gz PCIUMVKHNMVTRV-OXJNMPFZSA-N 0 0 387.503 3.661 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Cn3ccc4ccc(Cl)cc43)C2)cc1 ZINC001130827287 885212356 /nfs/dbraw/zinc/21/23/56/885212356.db2.gz XXBBQGJLODZOIS-KRWDZBQOSA-N 0 0 383.879 3.698 20 10 GHCDRN O=C(CSc1nc2ccccc2o1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000117975255 885233055 /nfs/dbraw/zinc/23/30/55/885233055.db2.gz YTYFVKTUWXGDMP-INIZCTEOSA-N 0 0 398.484 3.833 20 10 GHCDRN COc1cccc([C@@H]2C[C@H]2C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000117976235 885234089 /nfs/dbraw/zinc/23/40/89/885234089.db2.gz WGIOHTUKQZWATN-PCCBWWKXSA-N 0 0 381.472 3.712 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H](CCC)OCC ZINC000861332889 885403992 /nfs/dbraw/zinc/40/39/92/885403992.db2.gz NYQABYKHASCHTC-LJQANCHMSA-N 0 0 378.513 3.580 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCC[C@H]2c2cc[nH]n2)ccc1C ZINC000861379358 885444699 /nfs/dbraw/zinc/44/46/99/885444699.db2.gz FXOJKTGAZHCMBK-FQEVSTJZSA-N 0 0 376.460 3.915 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000807542875 885521246 /nfs/dbraw/zinc/52/12/46/885521246.db2.gz FZQOIYJKDSVQIH-PZJWPPBQSA-N 0 0 394.515 3.973 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)cc1 ZINC000807544095 885521617 /nfs/dbraw/zinc/52/16/17/885521617.db2.gz VUVBZMIXWFNQJR-SFTDATJTSA-N 0 0 393.531 3.554 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)CCCOc3ccc(Cl)cc3)C2)cc1 ZINC001131029946 885617338 /nfs/dbraw/zinc/61/73/38/885617338.db2.gz IHEYQZGKQBHLCE-QGZVFWFLSA-N 0 0 388.895 3.903 20 10 GHCDRN CC[C@H](C)c1ccccc1OCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001131030782 885621124 /nfs/dbraw/zinc/62/11/24/885621124.db2.gz VWVVZBRMMONDQC-ROUUACIJSA-N 0 0 382.504 3.983 20 10 GHCDRN CC(C)CN(CCc1ccccc1)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807670783 885621453 /nfs/dbraw/zinc/62/14/53/885621453.db2.gz IJMYZVPFPSWNAY-IBGZPJMESA-N 0 0 395.547 3.657 20 10 GHCDRN C[C@H](NC(=O)C(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F)c1ccc(N(C)C)cc1 ZINC000807671917 885623291 /nfs/dbraw/zinc/62/32/91/885623291.db2.gz UZAOVIRTGKODMS-VWKPWSFCSA-N 0 0 397.494 3.679 20 10 GHCDRN Cc1ccccc1CO[C@H](C)C(=O)NCc1cc(Br)ccc1O ZINC000861687396 885764625 /nfs/dbraw/zinc/76/46/25/885764625.db2.gz NWZFGSKEGWADLG-CYBMUJFWSA-N 0 0 378.266 3.685 20 10 GHCDRN CC(C)c1cccc(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000807958201 885896582 /nfs/dbraw/zinc/89/65/82/885896582.db2.gz OUKUVMZPYFYURN-UHFFFAOYSA-N 0 0 395.547 3.929 20 10 GHCDRN CC(C)c1cc(Cl)ccc1NC(=O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000861830630 885904661 /nfs/dbraw/zinc/90/46/61/885904661.db2.gz AUIXEYVVADTOIX-LBPRGKRZSA-N 0 0 390.867 3.561 20 10 GHCDRN COC[C@H](NC(=O)NCc1cc(OC)ccc1O)c1cccc(C(F)(F)F)c1 ZINC000118580951 885904913 /nfs/dbraw/zinc/90/49/13/885904913.db2.gz CZLJYVWGHOZEAS-INIZCTEOSA-N 0 0 398.381 3.607 20 10 GHCDRN Cc1cc(Br)cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c1 ZINC000780396606 885925962 /nfs/dbraw/zinc/92/59/62/885925962.db2.gz CFHZLAJLHYHZOU-UHFFFAOYSA-N 0 0 376.659 3.917 20 10 GHCDRN CO[C@@H](C)C(=O)OCC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000919593169 885985035 /nfs/dbraw/zinc/98/50/35/885985035.db2.gz BBSAZTATPLELDC-ZDUSSCGKSA-N 0 0 383.366 3.874 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)Oc1ccccc1Br ZINC000808093847 886010131 /nfs/dbraw/zinc/01/01/31/886010131.db2.gz WLXMFRSBDYXKQG-GFCCVEGCSA-N 0 0 399.281 3.724 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000808094849 886012381 /nfs/dbraw/zinc/01/23/81/886012381.db2.gz GTRODFSHQBKCEI-UHFFFAOYSA-N 0 0 395.455 3.805 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1csc(Cc2cccc(F)c2)n1 ZINC000808095295 886013585 /nfs/dbraw/zinc/01/35/85/886013585.db2.gz XJIPIUJMNSIYEK-UHFFFAOYSA-N 0 0 391.464 3.994 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)Nc2nc(CN(C)C)cs2)ccc1C ZINC000861944003 886017134 /nfs/dbraw/zinc/01/71/34/886017134.db2.gz MEIDZSKNTDGNCX-UHFFFAOYSA-N 0 0 396.516 3.985 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000862039539 886073343 /nfs/dbraw/zinc/07/33/43/886073343.db2.gz FXASDCDUHKWMCM-ZLGUVYLKSA-N 0 0 399.874 3.523 20 10 GHCDRN COc1ccc(N(C)CC(=O)NCCc2ccc(C(C)(C)C)cc2)c(OC)c1 ZINC001168317154 886118930 /nfs/dbraw/zinc/11/89/30/886118930.db2.gz JRXVREJFJXAYPA-UHFFFAOYSA-N 0 0 384.520 3.796 20 10 GHCDRN O=C(NCCc1ccc(F)cc1)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000774711027 913010602 /nfs/dbraw/zinc/01/06/02/913010602.db2.gz GDXGXLXHAAWRCP-UHFFFAOYSA-N 0 0 398.478 3.552 20 10 GHCDRN COC(=O)c1conc1C(C)(C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000808266737 886205869 /nfs/dbraw/zinc/20/58/69/886205869.db2.gz MIRCPYPKZXWFCE-UHFFFAOYSA-N 0 0 399.422 3.673 20 10 GHCDRN CNC(=O)c1ccc(CN(Cc2c(O)cccc2Br)C2CC2)cc1 ZINC000862225125 886223057 /nfs/dbraw/zinc/22/30/57/886223057.db2.gz OXQMQTQAFSVAON-UHFFFAOYSA-N 0 0 389.293 3.679 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCCC2SCCS2)cc1 ZINC000862225559 886223265 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O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc2c(c1)NC(=O)CS2 ZINC000915335801 886356637 /nfs/dbraw/zinc/35/66/37/886356637.db2.gz RNSCWMUCMQQXDP-UHFFFAOYSA-N 0 0 382.489 3.653 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000014099568 886378712 /nfs/dbraw/zinc/37/87/12/886378712.db2.gz GKEPFHMLKISOHL-UHFFFAOYSA-N 0 0 386.439 3.982 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(Cl)c(C(N)=O)c2)cc1 ZINC000915352954 886393915 /nfs/dbraw/zinc/39/39/15/886393915.db2.gz WOLCHUBULHXHMZ-UHFFFAOYSA-N 0 0 388.899 3.949 20 10 GHCDRN C[C@@H]1C[N@H+](Cc2cccc(Br)c2[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000862485330 886406399 /nfs/dbraw/zinc/40/63/99/886406399.db2.gz KSCWDTBLVVDZFC-OCCSQVGLSA-N 0 0 384.314 3.954 20 10 GHCDRN CC(=O)C(=O)COC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)c(C)c1 ZINC000808496145 886409340 /nfs/dbraw/zinc/40/93/40/886409340.db2.gz BXEBARJSWAOOCU-UHFFFAOYSA-N 0 0 390.439 3.530 20 10 GHCDRN COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1c1ccc(O)cc1 ZINC000862496644 886416130 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DYAZBUKMGITNPW-QGZVFWFLSA-N 0 0 391.467 3.815 20 10 GHCDRN C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cc2ccccc2o1 ZINC000120646348 888479534 /nfs/dbraw/zinc/47/95/34/888479534.db2.gz UWTLIUSNWLWRIU-OAHLLOKOSA-N 0 0 397.450 3.969 20 10 GHCDRN Cc1cc(CNC(=O)[C@H]2CCCCN2C(=O)C(C)C)c(C)n1-c1ccccc1 ZINC001132264236 888486430 /nfs/dbraw/zinc/48/64/30/888486430.db2.gz MUXHXXJDMZDHAH-OAQYLSRUSA-N 0 0 381.520 3.747 20 10 GHCDRN CCOC1CC2(C[C@@H]2C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000866138839 888750825 /nfs/dbraw/zinc/75/08/25/888750825.db2.gz PFOVNBHMPAZAER-YQSFQRMUSA-N 0 0 394.462 3.578 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(F)ccc2NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000153859210 888755814 /nfs/dbraw/zinc/75/58/14/888755814.db2.gz UJWWZMYAESIKIK-TYNCELHUSA-N 0 0 386.423 3.625 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c[nH]cc1-c1ccccc1 ZINC000916138671 888760196 /nfs/dbraw/zinc/76/01/96/888760196.db2.gz ULPFBBQUKSORGQ-UHFFFAOYSA-N 0 0 375.472 3.791 20 10 GHCDRN CC[C@@H]1[C@@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCN1C(=O)OC(C)(C)C ZINC000810687770 888778590 /nfs/dbraw/zinc/77/85/90/888778590.db2.gz ZAVOWJZYOKCAOL-AYOQOUSVSA-N 0 0 389.540 3.965 20 10 GHCDRN C[C@H]([NH2+]Cc1c(Br)cnn1C)c1ccc(Br)cc1O ZINC000866431193 888871755 /nfs/dbraw/zinc/87/17/55/888871755.db2.gz KDBJFNQAGPXRPF-QMMMGPOBSA-N 0 0 389.091 3.502 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCCOCC(F)(F)F ZINC000916459053 889020157 /nfs/dbraw/zinc/02/01/57/889020157.db2.gz VDDITJSGVHJQLR-UHFFFAOYSA-N 0 0 387.446 3.787 20 10 GHCDRN COC(=O)CN(Cc1noc(C2CCCCC2)n1)Cc1cc(Cl)ccc1O ZINC000121233704 889038308 /nfs/dbraw/zinc/03/83/08/889038308.db2.gz FAOFGEJQTIZOBM-UHFFFAOYSA-N 0 0 393.871 3.652 20 10 GHCDRN CC(C)n1ncc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1Br ZINC000867504217 889070949 /nfs/dbraw/zinc/07/09/49/889070949.db2.gz TYEBJCFNQSVQMD-GFCCVEGCSA-N 0 0 379.302 3.784 20 10 GHCDRN Cc1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c(C)n1-c1ccc(F)cc1 ZINC000916590444 889152235 /nfs/dbraw/zinc/15/22/35/889152235.db2.gz BDYORCUMGXIVPL-UHFFFAOYSA-N 0 0 383.375 3.684 20 10 GHCDRN C[C@@H]1C[C@H](C)CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 ZINC000916631885 889204323 /nfs/dbraw/zinc/20/43/23/889204323.db2.gz LTOAZANWXWROAR-GASCZTMLSA-N 0 0 399.457 3.730 20 10 GHCDRN COc1ccc(N2CCN([C@H](C)C(=O)Nc3ccccc3Cl)CC2)cc1F ZINC000121979889 889267842 /nfs/dbraw/zinc/26/78/42/889267842.db2.gz CCPXYNDUHLCOFG-CQSZACIVSA-N 0 0 391.874 3.637 20 10 GHCDRN Cc1ncc([C@@H](C)NC(=O)NCc2ccc(N3CCSCC3)cc2)s1 ZINC000868117413 889302898 /nfs/dbraw/zinc/30/28/98/889302898.db2.gz UBLRBLUQSGWROB-CYBMUJFWSA-N 0 0 376.551 3.565 20 10 GHCDRN COc1ccc(N2CCN([C@H](C)C(=O)Nc3ccc(C)cc3C)CC2)cc1F ZINC000122023696 889311418 /nfs/dbraw/zinc/31/14/18/889311418.db2.gz QPGBABTZRFOYQU-QGZVFWFLSA-N 0 0 385.483 3.600 20 10 GHCDRN CC[C@@H]1CN(C(=O)c2ccccc2SCc2ccco2)C[C@@H](C)S1(=O)=O ZINC000805399244 889356566 /nfs/dbraw/zinc/35/65/66/889356566.db2.gz QKHKIKGZUQXAJF-GDBMZVCRSA-N 0 0 393.530 3.610 20 10 GHCDRN CCO[C@@H](C)c1nc(CN2CCN(c3ccc(OC)c(F)c3)CC2)cs1 ZINC000122115802 889398628 /nfs/dbraw/zinc/39/86/28/889398628.db2.gz XRXGKGVWYWHSAC-AWEZNQCLSA-N 0 0 379.501 3.711 20 10 GHCDRN CNC(=O)c1cc(Oc2ccc(NCc3cc(OC)ccc3O)cc2F)ccn1 ZINC000811515812 889669657 /nfs/dbraw/zinc/66/96/57/889669657.db2.gz IPZBEIHCRCVLGM-UHFFFAOYSA-N 0 0 397.406 3.699 20 10 GHCDRN COc1c([O-])c(C[NH2+][C@H](C)c2ccc(N3CCCCC3=O)cc2)ccc1[N+](=O)[O-] ZINC000811520747 889674297 /nfs/dbraw/zinc/67/42/97/889674297.db2.gz UJFBVXOMSUMTGY-CQSZACIVSA-N 0 0 399.447 3.677 20 10 GHCDRN CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1F ZINC000811515017 889711712 /nfs/dbraw/zinc/71/17/12/889711712.db2.gz SZOFRGKELCWOGW-OAHLLOKOSA-N 0 0 389.437 3.562 20 10 GHCDRN Cc1cc(C(=O)NCc2cncn2C)c(C)n1-c1cccc(Br)c1 ZINC000811589171 889770058 /nfs/dbraw/zinc/77/00/58/889770058.db2.gz NQRYQKYATXPQFY-UHFFFAOYSA-N 0 0 387.281 3.520 20 10 GHCDRN CC[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1cccc(Cl)c1[O-] ZINC000287531509 913391690 /nfs/dbraw/zinc/39/16/90/913391690.db2.gz DRJCZBYFUDCSRL-INIZCTEOSA-N 0 0 388.961 3.679 20 10 GHCDRN CC(=C\c1ccccc1OC(F)F)/C=C1\SC(N2CCOCC2)=NC1=O ZINC000811687879 889895406 /nfs/dbraw/zinc/89/54/06/889895406.db2.gz JZHNZDWGGMATEA-NJFTWXLASA-N 0 0 380.416 3.537 20 10 GHCDRN COc1ccc(O)c(CNc2ncccc2C(=O)N2CCc3ccccc32)c1 ZINC000811805606 889990396 /nfs/dbraw/zinc/99/03/96/889990396.db2.gz XUZCOVGYZJRTQW-UHFFFAOYSA-N 0 0 375.428 3.611 20 10 GHCDRN C[C@@]1(CNC(=O)NCc2ccc(N3CCCC3)cc2)OCCc2sccc21 ZINC000811864163 890060129 /nfs/dbraw/zinc/06/01/29/890060129.db2.gz PEVUEQWZSYMAAB-NRFANRHFSA-N 0 0 385.533 3.636 20 10 GHCDRN COC(=O)/C=C\c1ccc(N2CC[C@@]3(C2)CCc2ccccc2O3)c([N+](=O)[O-])c1 ZINC000811850605 890076666 /nfs/dbraw/zinc/07/66/66/890076666.db2.gz UXPDTCHXAYLZLG-QZQRZDCMSA-N 0 0 394.427 3.755 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1F ZINC000811878426 890081805 /nfs/dbraw/zinc/08/18/05/890081805.db2.gz ZMSJANNXRIHJCT-RBUKOAKNSA-N 0 0 377.504 3.771 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CC(C)(C)[C@@H]3C3CC3)cc2F)C[C@H](C)O1 ZINC000812008605 890196393 /nfs/dbraw/zinc/19/63/93/890196393.db2.gz CGGTWMRSGAEVFB-MDOVXXIYSA-N 0 0 389.515 3.769 20 10 GHCDRN CCn1c(CC2CCCC2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 ZINC000812039054 890251082 /nfs/dbraw/zinc/25/10/82/890251082.db2.gz WYHUVPBQHKZLAD-UHFFFAOYSA-N 0 0 383.540 3.756 20 10 GHCDRN Cn1cnnc1-c1cccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000916845518 890287676 /nfs/dbraw/zinc/28/76/76/890287676.db2.gz CUSKBKSUMFNMOT-UHFFFAOYSA-N 0 0 392.463 3.993 20 10 GHCDRN CC(=O)c1cc(Cl)cc(CN2[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]2C)c1O ZINC000795118389 890353093 /nfs/dbraw/zinc/35/30/93/890353093.db2.gz BJOAUTVWTPRLNR-CHWSQXEVSA-N 0 0 380.916 3.716 20 10 GHCDRN COc1ccc(N2CCCN(c3nnc(-c4ccc[nH]4)n3CC(C)C)CC2)cc1 ZINC000812209930 890436383 /nfs/dbraw/zinc/43/63/83/890436383.db2.gz WHWCOKMEFGMLRJ-UHFFFAOYSA-N 0 0 394.523 3.655 20 10 GHCDRN COc1ccccc1N1C(=O)/C(=C\c2cn(C)nc2C(F)F)SC1=S ZINC000812219849 890447368 /nfs/dbraw/zinc/44/73/68/890447368.db2.gz QSHWFEYSKHJYSG-KPKJPENVSA-N 0 0 381.429 3.772 20 10 GHCDRN CC(=O)c1ccc(N2C(=O)C(=Cc3cn(C)nc3C(F)F)SC2=S)cc1 ZINC000812219486 890448981 /nfs/dbraw/zinc/44/89/81/890448981.db2.gz HTEBJOADFHWERJ-QPEQYQDCSA-N 0 0 393.440 3.966 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)c2noc(COC(C)C)n2)cc1 ZINC000812376095 890588132 /nfs/dbraw/zinc/58/81/32/890588132.db2.gz MTIDEPJSFFWLPE-INIZCTEOSA-N 0 0 382.464 3.893 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)c3ncn(C(C)(C)C)n3)cc2Cl)C1 ZINC000812547288 890736859 /nfs/dbraw/zinc/73/68/59/890736859.db2.gz SUSUJZXUHDOUNQ-AWEZNQCLSA-N 0 0 389.931 3.853 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2ncn(C(C)(C)C)n2)c(C)n1-c1ccc(F)cc1 ZINC000812694289 890871756 /nfs/dbraw/zinc/87/17/56/890871756.db2.gz RBROTGOIHFWNOV-UHFFFAOYSA-N 0 0 398.438 3.619 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@H](O)C2(C)C)c(C)n1-c1cccc(Br)c1 ZINC000812700233 890874851 /nfs/dbraw/zinc/87/48/51/890874851.db2.gz YFBAWFVPBBJOIB-KRWDZBQOSA-N 0 0 391.309 3.842 20 10 GHCDRN O=C(NCCCSc1nccs1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000123673157 890898571 /nfs/dbraw/zinc/89/85/71/890898571.db2.gz CLYFLGLQFCLOBS-UHFFFAOYSA-N 0 0 392.506 3.908 20 10 GHCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)N1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000888585330 890983913 /nfs/dbraw/zinc/98/39/13/890983913.db2.gz KKFZSKJTDKAESS-CGTJXYLNSA-N 0 0 391.475 3.554 20 10 GHCDRN CC(C)[C@]1(CO)CCCN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000888586144 890996028 /nfs/dbraw/zinc/99/60/28/890996028.db2.gz XAEIDVJCZXWGEQ-JOCHJYFZSA-N 0 0 393.491 3.659 20 10 GHCDRN COc1ccc(CCNC(=O)N[C@H](C)c2cc(OC)ccc2O)c(Cl)c1 ZINC000123766664 891004005 /nfs/dbraw/zinc/00/40/05/891004005.db2.gz AQIZVCHOSRMOTD-GFCCVEGCSA-N 0 0 378.856 3.666 20 10 GHCDRN COc1ccc(CCNC(=O)N[C@@H](C)c2cc(OC)ccc2O)c(Cl)c1 ZINC000123766445 891004243 /nfs/dbraw/zinc/00/42/43/891004243.db2.gz AQIZVCHOSRMOTD-LBPRGKRZSA-N 0 0 378.856 3.666 20 10 GHCDRN O=C(CCCc1cc(F)ccc1F)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000123785704 891008480 /nfs/dbraw/zinc/00/84/80/891008480.db2.gz UGZMZAWWLIVTNZ-UHFFFAOYSA-N 0 0 392.421 3.580 20 10 GHCDRN Cn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(Cl)cc1 ZINC000004287433 913513873 /nfs/dbraw/zinc/51/38/73/913513873.db2.gz ZEQILTWIEIFARO-UHFFFAOYSA-N 0 0 375.837 3.522 20 10 GHCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)N1CC[C@@H](C2CCOCC2)C1 ZINC000888588894 891066446 /nfs/dbraw/zinc/06/64/46/891066446.db2.gz ANODCJHJLUTBED-QGZVFWFLSA-N 0 0 391.475 3.677 20 10 GHCDRN CCCOc1ccc(C[NH2+][C@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])cc1C ZINC000871878444 891069200 /nfs/dbraw/zinc/06/92/00/891069200.db2.gz LJXHLCNIEPVKEX-LJQANCHMSA-N 0 0 399.487 3.731 20 10 GHCDRN CC(C)c1cc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n2ncnc2n1 ZINC000917085934 891107807 /nfs/dbraw/zinc/10/78/07/891107807.db2.gz BSDBMMDUUURCPK-GJZGRUSLSA-N 0 0 398.486 3.613 20 10 GHCDRN COC(=O)/C=C/c1ccc(N2CCCC[C@H]2c2noc(C3CC3)n2)c([N+](=O)[O-])c1 ZINC000917093021 891138468 /nfs/dbraw/zinc/13/84/68/891138468.db2.gz CLIUJDITCASVKV-DHINHOHASA-N 0 0 398.419 3.773 20 10 GHCDRN C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000872118506 891163032 /nfs/dbraw/zinc/16/30/32/891163032.db2.gz AZNIYYJVGRXOJT-YEJSDXFRSA-N 0 0 378.321 3.705 20 10 GHCDRN Cc1nc(O[C@@H](C)C(F)(F)F)ccc1-c1nc(Cc2ccc(N)cc2)no1 ZINC000872171359 891195570 /nfs/dbraw/zinc/19/55/70/891195570.db2.gz SBUJQOMPPVOIOC-NSHDSACASA-N 0 0 378.354 3.943 20 10 GHCDRN O=C(N1CCN(Cc2cc3c(cc2O)CCC3)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000813122679 891307974 /nfs/dbraw/zinc/30/79/74/891307974.db2.gz RATBRNZOTANYES-UHFFFAOYSA-N 0 0 394.559 3.742 20 10 GHCDRN C[C@@H]1C[C@@H](CC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC(C)(C)C1 ZINC001133626488 891315093 /nfs/dbraw/zinc/31/50/93/891315093.db2.gz MSOPYSMYRKHPKB-MJGOQNOKSA-N 0 0 399.579 3.857 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000917115580 891323442 /nfs/dbraw/zinc/32/34/42/891323442.db2.gz MOHUVIKJTVVLJD-KRWDZBQOSA-N 0 0 397.906 3.610 20 10 GHCDRN CCOC(=O)Nc1scnc1C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000813387149 891540951 /nfs/dbraw/zinc/54/09/51/891540951.db2.gz AFBAYYBCOFAMKC-UHFFFAOYSA-N 0 0 390.509 3.830 20 10 GHCDRN Cc1ccc(C[C@H](C)N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000124442648 891542689 /nfs/dbraw/zinc/54/26/89/891542689.db2.gz YBPGJJBTFZRUSS-IBGZPJMESA-N 0 0 381.520 3.604 20 10 GHCDRN C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)NCCc1ccc(N)cc1 ZINC000237372411 891579841 /nfs/dbraw/zinc/57/98/41/891579841.db2.gz YYAHYBNZVLOKLJ-MRXNPFEDSA-N 0 0 375.472 3.786 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000067645550 891592194 /nfs/dbraw/zinc/59/21/94/891592194.db2.gz UGOBKJCDBAADPW-UHFFFAOYSA-N 0 0 395.482 3.809 20 10 GHCDRN CCc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)ccc1O ZINC000813415994 891596483 /nfs/dbraw/zinc/59/64/83/891596483.db2.gz HMZPMTCTNMCFCX-HUUCEWRRSA-N 0 0 386.467 3.637 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)CCCOc1cccc(Br)c1 ZINC000917307851 891775851 /nfs/dbraw/zinc/77/58/51/891775851.db2.gz UBTKVWPHZZAJDQ-UHFFFAOYSA-N 0 0 378.266 3.972 20 10 GHCDRN Cc1cc(C(=O)OCc2nnc(C)o2)c(C)n1-c1cccc(Br)c1 ZINC000917307505 891776039 /nfs/dbraw/zinc/77/60/39/891776039.db2.gz LBTSZRJFJJLVQU-UHFFFAOYSA-N 0 0 390.237 3.905 20 10 GHCDRN COc1ccc(OCCCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000917364849 891853715 /nfs/dbraw/zinc/85/37/15/891853715.db2.gz PHVWGTYEIHBLIN-NRFANRHFSA-N 0 0 399.487 3.768 20 10 GHCDRN O=C(CSCc1ccc(F)cc1)NCc1ccc(N2CCSCC2)cc1 ZINC000917383782 891907575 /nfs/dbraw/zinc/90/75/75/891907575.db2.gz MPEVSLSTLOMXSL-UHFFFAOYSA-N 0 0 390.549 3.929 20 10 GHCDRN CCC(=O)N1CCCN(CC(=O)c2cc(C)n(-c3ccccc3C)c2C)CC1 ZINC000917409520 891942816 /nfs/dbraw/zinc/94/28/16/891942816.db2.gz DLYUJYNJKGCVMI-UHFFFAOYSA-N 0 0 381.520 3.530 20 10 GHCDRN CC1(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC(F)(F)C1 ZINC000874080249 891980931 /nfs/dbraw/zinc/98/09/31/891980931.db2.gz JXPQMHZLFCJOIL-UHFFFAOYSA-N 0 0 392.368 3.594 20 10 GHCDRN COc1ccccc1C(=O)N1CCN(Cc2cc(C)cc(C(C)(C)C)c2O)CC1 ZINC000917448963 892016565 /nfs/dbraw/zinc/01/65/65/892016565.db2.gz BOPSUTHUCBBSCQ-UHFFFAOYSA-N 0 0 396.531 3.965 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(c2ccccc2F)C1 ZINC000813853522 892023288 /nfs/dbraw/zinc/02/32/88/892023288.db2.gz HLWZKBVTXGZBOJ-SFHVURJKSA-N 0 0 384.499 3.702 20 10 GHCDRN CS(=O)(=O)c1cccc(OCCN2CCCc3cc(OC(F)F)ccc32)c1 ZINC000154407524 892027331 /nfs/dbraw/zinc/02/73/31/892027331.db2.gz HSECZQQLWIQKPA-UHFFFAOYSA-N 0 0 397.443 3.523 20 10 GHCDRN CCC(C)(C)OCc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccccc1O ZINC000874191471 892027619 /nfs/dbraw/zinc/02/76/19/892027619.db2.gz IOBKSUVXUKLFQE-OAHLLOKOSA-N 0 0 384.476 3.913 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000813878618 892058194 /nfs/dbraw/zinc/05/81/94/892058194.db2.gz HYKXXAGMCCIWRM-SUMWQHHRSA-N 0 0 391.468 3.741 20 10 GHCDRN CC[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1csc(C)c1 ZINC000825728471 892103073 /nfs/dbraw/zinc/10/30/73/892103073.db2.gz WWUXNVOJEATRCN-GOSISDBHSA-N 0 0 391.512 3.983 20 10 GHCDRN Cc1cccc(S(=O)(=O)NCc2cc(Br)ccc2O)c1Cl ZINC000796190636 913627966 /nfs/dbraw/zinc/62/79/66/913627966.db2.gz BOOFQYIFTOPFRG-UHFFFAOYSA-N 0 0 390.686 3.595 20 10 GHCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000763420739 892197641 /nfs/dbraw/zinc/19/76/41/892197641.db2.gz LDOGULZBNVQTBX-GFCCVEGCSA-N 0 0 384.701 3.749 20 10 GHCDRN CCCC(=O)N1CCC[C@@H]1C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000917626858 892303373 /nfs/dbraw/zinc/30/33/73/892303373.db2.gz DRVJPJGMHAHBKB-OAQYLSRUSA-N 0 0 381.520 3.544 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(F)c(F)c1F ZINC000917657934 892357124 /nfs/dbraw/zinc/35/71/24/892357124.db2.gz JKYIMPQSAGDEET-UHFFFAOYSA-N 0 0 386.439 3.769 20 10 GHCDRN COc1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1C ZINC000917658308 892358750 /nfs/dbraw/zinc/35/87/50/892358750.db2.gz WHECXXFXFYTVKL-UHFFFAOYSA-N 0 0 376.522 3.669 20 10 GHCDRN CCn1cc(N2C(=O)/C(=C/c3ccccc3-c3ccnn3C)SC2=S)cn1 ZINC000814186230 892382427 /nfs/dbraw/zinc/38/24/27/892382427.db2.gz 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CC1(CO)CCN(C(=O)C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1 ZINC000183750527 907453702 /nfs/dbraw/zinc/45/37/02/907453702.db2.gz YSSPHEWOLCPYDZ-WCWDXBQESA-N 0 0 380.448 3.662 20 10 GHCDRN CCOc1ncc(Nc2ccc(N(C)CCN(C)c3ccc(N)cc3)cc2)cn1 ZINC001175562481 907639890 /nfs/dbraw/zinc/63/98/90/907639890.db2.gz LIHXUJDVUOGOPZ-UHFFFAOYSA-N 0 0 392.507 3.774 20 10 GHCDRN O=C(NC1CC1)c1ccc(Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)cc1 ZINC001175608762 907664903 /nfs/dbraw/zinc/66/49/03/907664903.db2.gz PSVYYRAHLMEAHF-UHFFFAOYSA-N 0 0 398.418 3.803 20 10 GHCDRN COC1(C)CC[NH+](Cc2cc(Br)cc(Br)c2[O-])CC1 ZINC000779599376 907847381 /nfs/dbraw/zinc/84/73/81/907847381.db2.gz SFOCYWJZZSAMSF-UHFFFAOYSA-N 0 0 393.119 3.918 20 10 GHCDRN CN(C)C(=O)c1ccc(F)c(-n2c(N)c(/N=N/c3ccccc3)ccc2=N)c1 ZINC001176043482 907863661 /nfs/dbraw/zinc/86/36/61/907863661.db2.gz MKXODJDBRVSEIW-CWVRCJGXSA-N 0 0 378.411 3.795 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)c1nnn(Cc2ccc(F)cc2)c1C ZINC000192757782 907882057 /nfs/dbraw/zinc/88/20/57/907882057.db2.gz 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CC(=O)[C@@H]1C[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)C1(C)C ZINC000780524873 930541078 /nfs/dbraw/zinc/54/10/78/930541078.db2.gz VTTCSLTVJXJTHW-PCCBWWKXSA-N 0 0 386.536 3.512 20 10 GHCDRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000780950047 930648437 /nfs/dbraw/zinc/64/84/37/930648437.db2.gz JOMOVJONJQJSKN-SFHVURJKSA-N 0 0 390.430 3.594 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000781642770 930922214 /nfs/dbraw/zinc/92/22/14/930922214.db2.gz URTCNLGAUWUNNK-UHFFFAOYSA-N 0 0 379.363 3.501 20 10 GHCDRN Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)n1 ZINC000781659584 930929055 /nfs/dbraw/zinc/92/90/55/930929055.db2.gz YXZMHGXHYBPLEW-GASCZTMLSA-N 0 0 388.443 3.971 20 10 GHCDRN O=C(CN1CCC2(CNC(=O)O2)CC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000782005325 931056757 /nfs/dbraw/zinc/05/67/57/931056757.db2.gz YGLBQEKSGAQCFE-UHFFFAOYSA-N 0 0 393.447 3.615 20 10 GHCDRN Cc1cc(C(F)(F)F)nc(NCc2ccc(N3CCC(O)CC3)c(F)c2)n1 ZINC000782045755 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COC(=O)Nc1ccc(NC(=O)NCCCSc2nccs2)cc1F ZINC000783139685 931429888 /nfs/dbraw/zinc/42/98/88/931429888.db2.gz RTUMMWXVFQAWPE-UHFFFAOYSA-N 0 0 384.458 3.764 20 10 GHCDRN Cc1ccc(C2CCN(C(=O)NCc3ccc4c(c3)CCCN4C)CC2)cn1 ZINC000783203824 931458129 /nfs/dbraw/zinc/45/81/29/931458129.db2.gz WYTQZFRATUOPAS-UHFFFAOYSA-N 0 0 378.520 3.862 20 10 GHCDRN O=C1/C(=C\c2cc(-n3ccnc3)cs2)SC(=S)N1CCc1cccnc1 ZINC000783692726 931620277 /nfs/dbraw/zinc/62/02/77/931620277.db2.gz ARLPTIJPYQVBMA-CXUHLZMHSA-N 0 0 398.538 3.773 20 10 GHCDRN Cc1cc(C(=O)N(C)CC2(CO)CC2)c(C)n1-c1cccc(Br)c1 ZINC000783759121 931646111 /nfs/dbraw/zinc/64/61/11/931646111.db2.gz HRARZDGBJWHXKQ-UHFFFAOYSA-N 0 0 391.309 3.701 20 10 GHCDRN CN(C)c1ccc(CNC(=O)CCc2cc(F)ccc2Br)cc1 ZINC000783778430 931651553 /nfs/dbraw/zinc/65/15/53/931651553.db2.gz YYJKTLWDXZLNGF-UHFFFAOYSA-N 0 0 379.273 3.903 20 10 GHCDRN Cc1ccncc1/C=C/C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000784048140 931766998 /nfs/dbraw/zinc/76/69/98/931766998.db2.gz 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COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(C(=O)NCC3CC3)ccc2C)c1 ZINC000784476978 931908296 /nfs/dbraw/zinc/90/82/96/931908296.db2.gz TWYJHIZREPIPGE-CQSZACIVSA-N 0 0 397.475 3.732 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNc3nnc(-c4ccon4)s3)cc2F)C[C@@H](C)O1 ZINC000784571859 931943817 /nfs/dbraw/zinc/94/38/17/931943817.db2.gz NVRBJZLMXJOQNX-VXGBXAGGSA-N 0 0 389.456 3.558 20 10 GHCDRN Cc1ccc(-c2ccc(Cl)cc2NC(=O)C(=O)NCc2ccccc2O)o1 ZINC000796769574 932060698 /nfs/dbraw/zinc/06/06/98/932060698.db2.gz LQODIRWGNJUGIE-UHFFFAOYSA-N 0 0 384.819 3.869 20 10 GHCDRN CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1ccc(F)cc1[O-] ZINC000796832441 932083080 /nfs/dbraw/zinc/08/30/80/932083080.db2.gz PXMORGMRKWSRFH-CZUORRHYSA-N 0 0 398.272 3.774 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)CO[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000797437089 932284544 /nfs/dbraw/zinc/28/45/44/932284544.db2.gz GDQPEVYRXNHSQC-QHCPKHFHSA-N 0 0 394.515 3.828 20 10 GHCDRN CC1=C(Br)CN(C(=O)NCCCSc2nccs2)CC1 ZINC000797475571 932296819 /nfs/dbraw/zinc/29/68/19/932296819.db2.gz DUFRDRTUSODKFS-UHFFFAOYSA-N 0 0 376.345 3.710 20 10 GHCDRN CCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000797614893 932344937 /nfs/dbraw/zinc/34/49/37/932344937.db2.gz FTRPWGMAQVVIOW-LLVKDONJSA-N 0 0 391.855 3.852 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(Cl)c1-n1cccn1 ZINC000797616405 932345305 /nfs/dbraw/zinc/34/53/05/932345305.db2.gz RRWOTDZKOVOPEP-LBPRGKRZSA-N 0 0 386.839 3.690 20 10 GHCDRN C[C@@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1cc(Br)cc(F)c1[O-] ZINC000926927334 932352409 /nfs/dbraw/zinc/35/24/09/932352409.db2.gz HIRAXXNFLVGKLF-SSDOTTSWSA-N 0 0 396.182 3.897 20 10 GHCDRN COc1ccc(CNC(=O)Nc2cnc(Cl)c(Br)c2)c(O)c1 ZINC000797645102 932354121 /nfs/dbraw/zinc/35/41/21/932354121.db2.gz CHPUGAUSFWFYCY-UHFFFAOYSA-N 0 0 386.633 3.533 20 10 GHCDRN COc1cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)ccc1C(F)(F)F ZINC000797651752 932356951 /nfs/dbraw/zinc/35/69/51/932356951.db2.gz OBMCRCNSEZNWEK-SNVBAGLBSA-N 0 0 384.354 3.878 20 10 GHCDRN Cc1ccc(N2CCOCC2)cc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000797690569 932370372 /nfs/dbraw/zinc/37/03/72/932370372.db2.gz HQPNGJHEERBOOI-QGZVFWFLSA-N 0 0 382.508 3.780 20 10 GHCDRN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)O2)c1O ZINC000927016999 932382476 /nfs/dbraw/zinc/38/24/76/932382476.db2.gz VIWKTNBWLVWKFH-HIFRSBDPSA-N 0 0 384.314 3.842 20 10 GHCDRN C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1cc(Br)cc(F)c1[O-] ZINC000927018498 932382900 /nfs/dbraw/zinc/38/29/00/932382900.db2.gz ZNEGUXPNHRBINX-AAEUAGOBSA-N 0 0 388.277 3.673 20 10 GHCDRN CC[C@H](CO)NC(=O)c1ccc(NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000798084690 932522926 /nfs/dbraw/zinc/52/29/26/932522926.db2.gz AAISJYMWCBFBPU-HXUWFJFHSA-N 0 0 381.520 3.790 20 10 GHCDRN CC[C@H](CO)NC(=O)c1ccc(NCc2ccc(N(CC)CC)c(F)c2)cc1 ZINC000798085008 932523888 /nfs/dbraw/zinc/52/38/88/932523888.db2.gz IJOZMEKIOMSCIN-GOSISDBHSA-N 0 0 387.499 3.785 20 10 GHCDRN Cc1ccc([C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)[C@@H](C)S(C)(=O)=O)cc1 ZINC000798088784 932525153 /nfs/dbraw/zinc/52/51/53/932525153.db2.gz VHFRHKMGZBQGCR-XIKOKIGWSA-N 0 0 385.888 3.757 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2CCCc3nn(C)cc32)cc1 ZINC000798380319 932622162 /nfs/dbraw/zinc/62/21/62/932622162.db2.gz FRWORODJLJXQNQ-FQEVSTJZSA-N 0 0 392.503 3.728 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NCC[C@@H]2CC(=O)N(C)C2)cc1 ZINC000927750239 932680603 /nfs/dbraw/zinc/68/06/03/932680603.db2.gz OONWWTYKCBJSCD-MRXNPFEDSA-N 0 0 393.491 3.766 20 10 GHCDRN Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000799150165 932889438 /nfs/dbraw/zinc/88/94/38/932889438.db2.gz LOJIINUDDUIQRO-HXUWFJFHSA-N 0 0 391.471 3.790 20 10 GHCDRN O=S(=O)(Nc1c(F)cc(Cl)cc1Cl)c1cccc2nsnc21 ZINC000799184592 932903992 /nfs/dbraw/zinc/90/39/92/932903992.db2.gz AHNBHIHUZIVLSH-UHFFFAOYSA-N 0 0 378.237 3.938 20 10 GHCDRN CO[C@@H]1CCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)[C@H](C)C1 ZINC000799344280 932960200 /nfs/dbraw/zinc/96/02/00/932960200.db2.gz ULXXIZNIBCSWBL-DNVCBOLYSA-N 0 0 398.503 3.547 20 10 GHCDRN COc1cc(Br)cc(CN2CCC=C(Br)C2)c1O ZINC000799736955 933104808 /nfs/dbraw/zinc/10/48/08/933104808.db2.gz NPHMZPZKVRYQHE-UHFFFAOYSA-N 0 0 377.076 3.648 20 10 GHCDRN CCNC(=O)c1ccc(NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)nn1 ZINC000799963440 933191093 /nfs/dbraw/zinc/19/10/93/933191093.db2.gz LMWISPZUXIGGCF-CQSZACIVSA-N 0 0 387.915 3.728 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)NCC[C@@H]3CCOC3)cc2Cl)C1 ZINC000799970281 933195100 /nfs/dbraw/zinc/19/51/00/933195100.db2.gz KBWNWHBUHILDCU-HZPDHXFCSA-N 0 0 379.932 3.802 20 10 GHCDRN COC[C@@H]1CCCN1C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000799994128 933206642 /nfs/dbraw/zinc/20/66/42/933206642.db2.gz KEVIAXNRGJIEDJ-RDJZCZTQSA-N 0 0 379.932 3.897 20 10 GHCDRN COc1ccc(Cl)cc1CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001116051378 933306792 /nfs/dbraw/zinc/30/67/92/933306792.db2.gz ADXOVDGDORUUKG-UHFFFAOYSA-N 0 0 375.900 3.799 20 10 GHCDRN CN(CCC(F)(F)F)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001116169450 933377898 /nfs/dbraw/zinc/37/78/98/933377898.db2.gz XBNYHRRDFLSXQQ-GFCCVEGCSA-N 0 0 395.372 3.851 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)c3cc(F)c(F)cc3Cl)CC2)cc1 ZINC001116351897 933501798 /nfs/dbraw/zinc/50/17/98/933501798.db2.gz KYIIAHXLKBFYOO-UHFFFAOYSA-N 0 0 380.822 3.979 20 10 GHCDRN COC(=O)[C@@]1(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)CCSC1 ZINC001116392564 933531504 /nfs/dbraw/zinc/53/15/04/933531504.db2.gz FVNXMVVXDMWEAV-LJQANCHMSA-N 0 0 392.908 3.526 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000777826081 933619192 /nfs/dbraw/zinc/61/91/92/933619192.db2.gz DKDCRLKLQSXNRW-UHFFFAOYSA-N 0 0 390.443 3.904 20 10 GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1ccc2ccccc2c1 ZINC000777826574 933635984 /nfs/dbraw/zinc/63/59/84/933635984.db2.gz OHRYQXADEWETLF-UHFFFAOYSA-N 0 0 397.858 3.943 20 10 GHCDRN Cc1ccc(O)c2c1[C@H](C)C[C@H]2Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC001116589409 933650784 /nfs/dbraw/zinc/65/07/84/933650784.db2.gz WHLQVZZMISDVNI-VQIMIIECSA-N 0 0 395.503 3.632 20 10 GHCDRN CC(=O)N1CCN(Cc2ccccc2NCc2ccc(N3CCCC3)cc2)CC1 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CC[C@@H](C)Oc1ccc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)cc1 ZINC000189331367 1020443829 /nfs/dbraw/zinc/44/38/29/1020443829.db2.gz YTZKKBHBRXUWPY-QGZVFWFLSA-N 0 0 395.503 3.785 20 10 GHCDRN CCCOc1nc2ccccc2cc1/C=C/C(=O)N1C[C@@H](O)Cc2ccccc21 ZINC001156172388 1032912342 /nfs/dbraw/zinc/91/23/42/1032912342.db2.gz OHISPOMYBHCCGH-SGWGQVFISA-N 0 0 388.467 3.987 20 10 GHCDRN CC(C)(C)OC(=O)N1CCc2cc(C(=O)NCc3c(O)cccc3F)ccc21 ZINC001156170028 1032911179 /nfs/dbraw/zinc/91/11/79/1032911179.db2.gz CIFIPIDPRYDNMB-UHFFFAOYSA-N 0 0 386.423 3.759 20 10 GHCDRN CCCc1cnc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)s1 ZINC000190340962 1020668464 /nfs/dbraw/zinc/66/84/64/1020668464.db2.gz MRUVKSKRKZVAAX-UHFFFAOYSA-N 0 0 399.472 3.562 20 10 GHCDRN COc1cnc2ccccc2c1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000801666698 1021426958 /nfs/dbraw/zinc/42/69/58/1021426958.db2.gz YQVCEUIKFTULJN-MRXNPFEDSA-N 0 0 391.471 3.571 20 10 GHCDRN Oc1cccc(Cl)c1CN1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 ZINC001140345235 1021460242 /nfs/dbraw/zinc/46/02/42/1021460242.db2.gz QJGWMLDUFNVJPZ-HRAATJIYSA-N 0 0 388.895 3.891 20 10 GHCDRN COc1ccc(N2CCN(c3nnc(-c4ccoc4)n3CC(C)C)CC2)cc1F ZINC000802661771 1021517943 /nfs/dbraw/zinc/51/79/43/1021517943.db2.gz KIVVEAHHYFGDKC-UHFFFAOYSA-N 0 0 399.470 3.668 20 10 GHCDRN C[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000834834375 1021530240 /nfs/dbraw/zinc/53/02/40/1021530240.db2.gz CHNNPOHUNFZMTM-HIFPTAJRSA-N 0 0 379.444 3.665 20 10 GHCDRN Cc1cc(Br)cc([C@H](C)Nc2ccc(O[C@H]3CC(=O)N3)cc2)c1O ZINC000834892571 1021632848 /nfs/dbraw/zinc/63/28/48/1021632848.db2.gz DLWCOZTWVPVGKP-GTNSWQLSSA-N 0 0 391.265 3.861 20 10 GHCDRN CC[C@H](Nc1ccc(O[C@H]2CC(=O)N2)cc1)c1cc(Br)ccc1O ZINC000834900287 1021648734 /nfs/dbraw/zinc/64/87/34/1021648734.db2.gz XFZHZVIHWVLSRS-YJBOKZPZSA-N 0 0 391.265 3.943 20 10 GHCDRN CCCC[C@@H](CCC)NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000748960654 1021736834 /nfs/dbraw/zinc/73/68/34/1021736834.db2.gz PXRRZNZWIFGDPW-RBUKOAKNSA-N 0 0 388.556 3.546 20 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/nfs/dbraw/zinc/86/18/83/1022861883.db2.gz NGHKUIASDRNCTO-UHFFFAOYSA-N 0 0 376.859 3.760 20 10 GHCDRN CN(C)c1ccc(CN2CCO[C@H](CCNC(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001140921302 1022886352 /nfs/dbraw/zinc/88/63/52/1022886352.db2.gz AYSXPMPPPCIWGF-QGZVFWFLSA-N 0 0 397.947 3.522 20 10 GHCDRN CN(C)c1ccc(CN2Cc3cncn3C[C@@H](COCC3CC3)C2)c(Cl)c1 ZINC001140923775 1022899619 /nfs/dbraw/zinc/89/96/19/1022899619.db2.gz FZNSOVVYNAYODV-KRWDZBQOSA-N 0 0 388.943 3.661 20 10 GHCDRN CN(C)c1ccc(CN2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)c(Cl)c1 ZINC001140924554 1022901226 /nfs/dbraw/zinc/90/12/26/1022901226.db2.gz RXSWTZPNZAWRBC-ZWKOTPCHSA-N 0 0 375.925 3.847 20 10 GHCDRN C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000836405640 1022949854 /nfs/dbraw/zinc/94/98/54/1022949854.db2.gz JYRCANBIKHWKJS-CVEARBPZSA-N 0 0 392.544 3.806 20 10 GHCDRN CC(F)(F)CCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000836505597 1023044450 /nfs/dbraw/zinc/04/44/50/1023044450.db2.gz OTKGTRMOSQMIOS-UHFFFAOYSA-N 0 0 377.382 3.601 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C2CC2)cc1 ZINC000755079586 1023065359 /nfs/dbraw/zinc/06/53/59/1023065359.db2.gz YEJJFOZPMVXWFU-NJDAHSKKSA-N 0 0 383.536 3.774 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nc(-c2ccccc2)no1 ZINC000755186848 1023116598 /nfs/dbraw/zinc/11/65/98/1023116598.db2.gz CNMUEIYGXKHHSY-UHFFFAOYSA-N 0 0 396.516 3.943 20 10 GHCDRN Cc1cc(CCNC(=O)NCC2(CF)CCOCC2)c(C)n1-c1ccccc1 ZINC000836599725 1023158811 /nfs/dbraw/zinc/15/88/11/1023158811.db2.gz YPWMIXDVOLTWNO-UHFFFAOYSA-N 0 0 387.499 3.702 20 10 GHCDRN CCCn1ncc(NC(=O)NCc2cc(Br)ccc2O)c1C1CC1 ZINC000836714845 1023293800 /nfs/dbraw/zinc/29/38/00/1023293800.db2.gz YSVFBBZFONUPTF-UHFFFAOYSA-N 0 0 393.285 3.960 20 10 GHCDRN COc1c(F)cc(NC(=O)NCc2c(O)ccc3c2CCCC3)c(OC)c1F ZINC000836737038 1023325360 /nfs/dbraw/zinc/32/53/60/1023325360.db2.gz IDDCJBALMXHBBW-UHFFFAOYSA-N 0 0 392.402 3.888 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(C)cc(Br)n2)c1 ZINC000836759835 1023345710 /nfs/dbraw/zinc/34/57/10/1023345710.db2.gz CYOFRMZHBYPCIR-SNVBAGLBSA-N 0 0 380.242 3.749 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000836781593 1023362414 /nfs/dbraw/zinc/36/24/14/1023362414.db2.gz MXWRETJJOMPUDB-KNXALSJPSA-N 0 0 390.277 3.711 20 10 GHCDRN CCOC[C@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)Cc2nn(CC)cc21 ZINC001141075034 1023435285 /nfs/dbraw/zinc/43/52/85/1023435285.db2.gz IXWHTNDXDLQGCI-OAQYLSRUSA-N 0 0 394.563 3.738 20 10 GHCDRN CN(c1ccc(CNC(=O)N2CC[C@H](c3nccn3C)C2)cc1)C1CCCCC1 ZINC000756053451 1023499835 /nfs/dbraw/zinc/49/98/35/1023499835.db2.gz PEMPJWMMDPWVOW-IBGZPJMESA-N 0 0 395.551 3.888 20 10 GHCDRN Cc1nn(C)c2ccc(Nc3c(CC(N)=O)cccc3C(=O)c3ccccc3)cc12 ZINC001204878841 1033140461 /nfs/dbraw/zinc/14/04/61/1033140461.db2.gz YLLMXEPZDVFHFN-UHFFFAOYSA-N 0 0 398.466 3.884 20 10 GHCDRN C[C@H]([NH2+]Cc1cccc(C(N)=O)c1)c1cc(Br)cc(Cl)c1[O-] ZINC000756377313 1023618698 /nfs/dbraw/zinc/61/86/98/1023618698.db2.gz SYCCHNILXXQIII-VIFPVBQESA-N 0 0 383.673 3.758 20 10 GHCDRN C[C@H]([NH2+]CCC(=O)N1CCCCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756432935 1023645978 /nfs/dbraw/zinc/64/59/78/1023645978.db2.gz UCZKHKDXQPVKSO-NSHDSACASA-N 0 0 389.721 3.861 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2(c3ccc(F)cc3)CCOCC2)c1 ZINC000756452878 1023658635 /nfs/dbraw/zinc/65/86/35/1023658635.db2.gz AKASMEDEVSSNQO-HNNXBMFYSA-N 0 0 387.451 3.717 20 10 GHCDRN C[C@H]([NH2+]C1CCN(C(=O)CCc2ccccc2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756474960 1023674331 /nfs/dbraw/zinc/67/43/31/1023674331.db2.gz FEGIKXIFACOKSH-HNNXBMFYSA-N 0 0 388.458 3.945 20 10 GHCDRN C[C@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])C(=O)NCc1ccccc1 ZINC000756481703 1023678122 /nfs/dbraw/zinc/67/81/22/1023678122.db2.gz FVLQCQXAMWBPQS-RYUDHWBXSA-N 0 0 395.272 3.649 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)c1 ZINC000756510153 1023690241 /nfs/dbraw/zinc/69/02/41/1023690241.db2.gz NZGUICALXSCYSV-HOTGVXAUSA-N 0 0 388.533 3.803 20 10 GHCDRN C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-])[C@@H](C)N1CCOCC1 ZINC000756544749 1023707842 /nfs/dbraw/zinc/70/78/42/1023707842.db2.gz VOHHXCPXTNKJBF-GRYCIOLGSA-N 0 0 391.737 3.568 20 10 GHCDRN Cc1cc(C[NH2+][C@@H](C)c2cc(Br)cc(Br)c2[O-])[nH]n1 ZINC000756586663 1023723562 /nfs/dbraw/zinc/72/35/62/1023723562.db2.gz UXNRJIJSIRANAR-QMMMGPOBSA-N 0 0 389.091 3.800 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756587837 1023723609 /nfs/dbraw/zinc/72/36/09/1023723609.db2.gz CVADKFODDYQJPY-OLZOCXBDSA-N 0 0 393.390 3.831 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000756683131 1023773019 /nfs/dbraw/zinc/77/30/19/1023773019.db2.gz FVZXBZPROUEKIU-KUHUBIRLSA-N 0 0 378.875 3.909 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000756782326 1023813421 /nfs/dbraw/zinc/81/34/21/1023813421.db2.gz AHVBKIBJSVPJNS-MEDUHNTESA-N 0 0 383.366 3.582 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756865629 1023839378 /nfs/dbraw/zinc/83/93/78/1023839378.db2.gz TUVLJFRJLURCBH-HWPZZCPQSA-N 0 0 393.802 3.549 20 10 GHCDRN COc1ccc2c(c1)CCN2Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC001204931167 1033174339 /nfs/dbraw/zinc/17/43/39/1033174339.db2.gz SKWPDXVIQBVECI-UHFFFAOYSA-N 0 0 394.374 3.819 20 10 GHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc2c(c1)CCN2 ZINC000830665233 1024055397 /nfs/dbraw/zinc/05/53/97/1024055397.db2.gz RLCPOCCBSOIOJM-MRXNPFEDSA-N 0 0 387.430 3.655 20 10 GHCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COCc2ccccn2)C1 ZINC001138127071 1024174104 /nfs/dbraw/zinc/17/41/04/1024174104.db2.gz OKNOSUNNRAGDDK-UNMCSNQZSA-N 0 0 386.467 3.514 20 10 GHCDRN O=S(=O)(c1ccccc1)[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138219620 1024393102 /nfs/dbraw/zinc/39/31/02/1024393102.db2.gz KEUFEMPEYGWJDL-JOCHJYFZSA-N 0 0 384.545 3.725 20 10 GHCDRN CCOC(=O)c1cnc2n1CCN(Cc1ccc(N3CCCCC3)cc1)[C@H]2C ZINC001138222309 1024398373 /nfs/dbraw/zinc/39/83/73/1024398373.db2.gz RCEXIFVELWTPQF-KRWDZBQOSA-N 0 0 382.508 3.627 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000837380765 1024398422 /nfs/dbraw/zinc/39/84/22/1024398422.db2.gz WIVGWVVUSRWOSC-KRWDZBQOSA-N 0 0 399.457 3.643 20 10 GHCDRN O=C(Cc1ccsc1)N1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001138222470 1024398791 /nfs/dbraw/zinc/39/87/91/1024398791.db2.gz ZEFXKIKRRYWAED-UHFFFAOYSA-N 0 0 383.561 3.625 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)c3cn(C)nc3Cl)cc2Cl)C1 ZINC000831277421 1024466784 /nfs/dbraw/zinc/46/67/84/1024466784.db2.gz WYCDZZGHLZPSBP-LBPRGKRZSA-N 0 0 381.307 3.893 20 10 GHCDRN Cc1oc2ccccc2c1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837710006 1024655132 /nfs/dbraw/zinc/65/51/32/1024655132.db2.gz DNHUEILENJCRFA-UHFFFAOYSA-N 0 0 386.398 3.786 20 10 GHCDRN CC1(C)O[C@H]2O[C@@H]3[C@H](Oc4ccc(/N=N/c5ccccc5)cc4)C(=O)O[C@@H]3[C@H]2O1 ZINC001229006543 1033227874 /nfs/dbraw/zinc/22/78/74/1033227874.db2.gz GWOXGCJRMLBOCU-FFURKVMKSA-N 0 0 396.399 3.651 20 10 GHCDRN CCN(CC)c1ccc(CN2Cc3cnn(CC)c3[C@H](COC)C2)c(OC)c1 ZINC001138387666 1024761598 /nfs/dbraw/zinc/76/15/98/1024761598.db2.gz LNPACMKZYNBCRJ-IBGZPJMESA-N 0 0 386.540 3.504 20 10 GHCDRN Cc1nnc(C2CC[NH+](Cc3cc(Cl)cc(Br)c3[O-])CC2)o1 ZINC001141374622 1024766782 /nfs/dbraw/zinc/76/67/82/1024766782.db2.gz LLDJZWVKLKPRLK-UHFFFAOYSA-N 0 0 386.677 3.879 20 10 GHCDRN CCN(CC)c1ccc(CN2CC(C)(CNC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001138392047 1024769203 /nfs/dbraw/zinc/76/92/03/1024769203.db2.gz OAPSBMIVTUTGMX-UHFFFAOYSA-N 0 0 391.556 3.888 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC1(Cc2ccc(F)cc2)CCOCC1 ZINC000838479608 1025162841 /nfs/dbraw/zinc/16/28/41/1025162841.db2.gz SBWYGUJIPYLVCL-UHFFFAOYSA-N 0 0 399.510 3.791 20 10 GHCDRN C/C=C/C[C@H](CO)NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC001138654100 1025169785 /nfs/dbraw/zinc/16/97/85/1025169785.db2.gz XSCHQTQJMXAMFU-DWTRPJMMSA-N 0 0 391.309 3.914 20 10 GHCDRN CCSc1ncc(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)cn1 ZINC001138657654 1025174363 /nfs/dbraw/zinc/17/43/63/1025174363.db2.gz LSWXWIYJECTARM-UHFFFAOYSA-N 0 0 398.454 3.809 20 10 GHCDRN COc1cccc([C@H]2C[C@H](NC(=O)NCCCSc3nccs3)C2)c1 ZINC000838513054 1025184848 /nfs/dbraw/zinc/18/48/48/1025184848.db2.gz CMQUZYXWSOXDOS-SHTZXODSSA-N 0 0 377.535 3.879 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000838679834 1025287299 /nfs/dbraw/zinc/28/72/99/1025287299.db2.gz DCUUQSXCMPGMNA-RBBKRZOGSA-N 0 0 396.535 3.988 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000838707185 1025313080 /nfs/dbraw/zinc/31/30/80/1025313080.db2.gz ZSKZNSAXWHKJQE-IRXDYDNUSA-N 0 0 395.503 3.680 20 10 GHCDRN CSc1ccccc1NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838745774 1025341583 /nfs/dbraw/zinc/34/15/83/1025341583.db2.gz BFZYIUIFTPNSJW-UHFFFAOYSA-N 0 0 393.459 3.845 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)Nc1cc(Cl)ccc1F ZINC000838746571 1025341891 /nfs/dbraw/zinc/34/18/91/1025341891.db2.gz KDCSNDRJTWSPRJ-UHFFFAOYSA-N 0 0 399.800 3.916 20 10 GHCDRN O=C(NC[C@H]1CCN(c2ccccc2F)C1)c1cc2cc(O)c(O)cc2s1 ZINC001141527402 1025394413 /nfs/dbraw/zinc/39/44/13/1025394413.db2.gz PCKUXBCNNSKAOU-GFCCVEGCSA-N 0 0 386.448 3.708 20 10 GHCDRN COc1cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc(OC)c1Cl ZINC000839167358 1025676243 /nfs/dbraw/zinc/67/62/43/1025676243.db2.gz XTWRSPOHEQOION-SNVBAGLBSA-N 0 0 380.828 3.521 20 10 GHCDRN COC(=O)c1cc(Br)cc(NC(=O)c2ccc(C)c(O)c2O)c1C ZINC001162223711 1025676401 /nfs/dbraw/zinc/67/64/01/1025676401.db2.gz OFCFRGHBDHIZBD-UHFFFAOYSA-N 0 0 394.221 3.516 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000839338962 1025819598 /nfs/dbraw/zinc/81/95/98/1025819598.db2.gz GGUHZTQOZMTJOR-LJQANCHMSA-N 0 0 380.488 3.537 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC001139128831 1025940371 /nfs/dbraw/zinc/94/03/71/1025940371.db2.gz FWPUYENZFXQYMB-UHFFFAOYSA-N 0 0 398.890 3.778 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CCC(n2ncc3ccccc32)CC1 ZINC001139132709 1025945092 /nfs/dbraw/zinc/94/50/92/1025945092.db2.gz ZKZJXJOLORQWRI-UHFFFAOYSA-N 0 0 389.455 3.994 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3cc(OC)cc(Cl)c3F)CC2)cc1 ZINC000839556740 1026056423 /nfs/dbraw/zinc/05/64/23/1026056423.db2.gz PRRBUPWPMNOQMQ-UHFFFAOYSA-N 0 0 392.858 3.849 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3cc(OC)cc(Cl)c3F)CC2)cc1 ZINC000839628758 1026134327 /nfs/dbraw/zinc/13/43/27/1026134327.db2.gz ZVTCMGWTWIQRGL-UHFFFAOYSA-N 0 0 392.858 3.895 20 10 GHCDRN CSc1cccc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1C ZINC000839633686 1026138752 /nfs/dbraw/zinc/13/87/52/1026138752.db2.gz LJRVRGHZNZHZPO-HNNXBMFYSA-N 0 0 399.560 3.777 20 10 GHCDRN COc1ccccc1[C@@H]1C[C@H]1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000839675359 1026190344 /nfs/dbraw/zinc/19/03/44/1026190344.db2.gz PANJIIGLQBIMQT-YZGWKJHDSA-N 0 0 381.472 3.712 20 10 GHCDRN COC(=O)Cc1c(Cl)ncnc1N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001163486127 1026210409 /nfs/dbraw/zinc/21/04/09/1026210409.db2.gz CUYVBQHZYZYWFH-KRWDZBQOSA-N 0 0 389.883 3.903 20 10 GHCDRN COc1ccc(N2CCN(Cc3cc(Cl)cnc3Cl)CC2)c(OC)c1 ZINC001139357531 1026229631 /nfs/dbraw/zinc/22/96/31/1026229631.db2.gz RAXLJTKHBIRRHN-UHFFFAOYSA-N 0 0 382.291 3.728 20 10 GHCDRN COc1ccc(C(C)=O)cc1CC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839915729 1026344338 /nfs/dbraw/zinc/34/43/38/1026344338.db2.gz JZBVUXRAGFBHSA-MRXNPFEDSA-N 0 0 382.504 3.562 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCc1nnc(-c2ccsc2)o1 ZINC000839917046 1026345484 /nfs/dbraw/zinc/34/54/84/1026345484.db2.gz YHPSQGMSBDFGCO-HNNXBMFYSA-N 0 0 398.532 3.853 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000839918567 1026345680 /nfs/dbraw/zinc/34/56/80/1026345680.db2.gz BHNSPJIQIPRVHV-AWEZNQCLSA-N 0 0 382.430 3.571 20 10 GHCDRN Cc1nc(-c2cnn(C)c2)sc1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839918553 1026346067 /nfs/dbraw/zinc/34/60/67/1026346067.db2.gz MSQBEUFEKCTNGL-CQSZACIVSA-N 0 0 397.548 3.587 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cccc(NC(=O)NC2CC2)c1 ZINC000839919982 1026347166 /nfs/dbraw/zinc/34/71/66/1026347166.db2.gz YWGXQDXWNKJXPE-INIZCTEOSA-N 0 0 394.519 3.706 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1sc(N(C)C)nc1Cl ZINC000839921778 1026348236 /nfs/dbraw/zinc/34/82/36/1026348236.db2.gz JAQAHPOSAXWQQT-LBPRGKRZSA-N 0 0 380.945 3.598 20 10 GHCDRN CCc1csc(-n2cc(C(=O)N[C@H](C)Cc3ccc(N(C)C)cc3C)cn2)n1 ZINC000839921436 1026348385 /nfs/dbraw/zinc/34/83/85/1026348385.db2.gz ZJAAIXIUWRXOLG-OAHLLOKOSA-N 0 0 397.548 3.627 20 10 GHCDRN Cc1cc(C(=O)NC[C@@]2(CO)CCc3ccccc32)c(C)n1-c1ccc(F)cc1 ZINC001164471115 1026519310 /nfs/dbraw/zinc/51/93/10/1026519310.db2.gz ACOJKEYYOXMSJC-XMMPIXPASA-N 0 0 392.474 3.840 20 10 GHCDRN [O-]c1c(F)ccc(F)c1C[NH+]1CCC2(CCOC[C@H]2COCC2CC2)CC1 ZINC001139682039 1026537268 /nfs/dbraw/zinc/53/72/68/1026537268.db2.gz MOPLLVOUKWOESV-INIZCTEOSA-N 0 0 381.463 3.716 20 10 GHCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 ZINC001139682109 1026537468 /nfs/dbraw/zinc/53/74/68/1026537468.db2.gz PAPDDRMIRHYLPV-LJQANCHMSA-N 0 0 395.400 3.803 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2cc(=O)n(C)c3ccccc23)C1 ZINC001139757661 1026596715 /nfs/dbraw/zinc/59/67/15/1026596715.db2.gz BGIIGIILSNPTLO-UHFFFAOYSA-N 0 0 387.483 3.597 20 10 GHCDRN OCC1CCN(c2ccc(CNCc3csc(-c4ccccn4)n3)cc2)CC1 ZINC000098173881 1026744938 /nfs/dbraw/zinc/74/49/38/1026744938.db2.gz RCSRHLUUIZDBMT-UHFFFAOYSA-N 0 0 394.544 3.704 20 10 GHCDRN Oc1cccc(Br)c1CN1CCN(c2nc3ccccc3o2)CC1 ZINC001140101392 1026880833 /nfs/dbraw/zinc/88/08/33/1026880833.db2.gz QZWDJYLGJUVUPP-UHFFFAOYSA-N 0 0 388.265 3.618 20 10 GHCDRN Fc1cccc(CN2CCN(c3ccc(OCc4cccnc4)cc3)CC2)n1 ZINC001140135026 1026909628 /nfs/dbraw/zinc/90/96/28/1026909628.db2.gz OAIOIOJNIYJMQP-UHFFFAOYSA-N 0 0 378.451 3.517 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001461164958 1069422172 /nfs/dbraw/zinc/42/21/72/1069422172.db2.gz LMUQJYXTEANTNX-UHFFFAOYSA-N 0 0 399.329 3.952 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)Oc1ccc(C(F)(F)F)cc1 ZINC001140198475 1026971034 /nfs/dbraw/zinc/97/10/34/1026971034.db2.gz DXYSBSNTUBNLSL-GFCCVEGCSA-N 0 0 388.382 3.980 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1nc(-c2ccccc2F)oc1C ZINC001140198551 1026971386 /nfs/dbraw/zinc/97/13/86/1026971386.db2.gz IHVDCAWRTFGIQZ-UHFFFAOYSA-N 0 0 375.396 3.910 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2nc(Cl)nc3[nH]cc(C)c32)C1 ZINC001166815966 1027093423 /nfs/dbraw/zinc/09/34/23/1027093423.db2.gz NCNMHYJIGNBODJ-UHFFFAOYSA-N 0 0 381.867 3.983 20 10 GHCDRN Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2cc(Br)cc(F)c2[O-])cn1 ZINC001203161726 1027220554 /nfs/dbraw/zinc/22/05/54/1027220554.db2.gz RBJVKHRYKBLILF-LRDDRELGSA-N 0 0 382.277 3.528 20 10 GHCDRN CC(C)(C)OC(=O)N1CCOc2ccc(N(CCO)c3ccc(N)cc3)cc21 ZINC001209854467 1027246324 /nfs/dbraw/zinc/24/63/24/1027246324.db2.gz UEMCZQVGGVGDTM-UHFFFAOYSA-N 0 0 385.464 3.533 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000840250331 1027380653 /nfs/dbraw/zinc/38/06/53/1027380653.db2.gz LKWLMRYBHDOVAW-CYBMUJFWSA-N 0 0 388.899 3.566 20 10 GHCDRN COC[C@H]1CCCC[N@@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC001203564846 1027436849 /nfs/dbraw/zinc/43/68/49/1027436849.db2.gz QTRQLEAERZACJA-GFCCVEGCSA-N 0 0 393.119 3.918 20 10 GHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 ZINC001203575211 1027442605 /nfs/dbraw/zinc/44/26/05/1027442605.db2.gz GNTMHHRPZFCSMR-HZPDHXFCSA-N 0 0 378.303 3.658 20 10 GHCDRN CC(C)(C)NS(=O)(=O)c1ccc(NCc2cc(Cl)cc(F)c2O)cc1 ZINC001203625306 1027486108 /nfs/dbraw/zinc/48/61/08/1027486108.db2.gz OQSSPXQCBVSSTR-UHFFFAOYSA-N 0 0 386.876 3.874 20 10 GHCDRN CCC[N@@H+](Cc1ccc(OC)cc1O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203635418 1027494533 /nfs/dbraw/zinc/49/45/33/1027494533.db2.gz SVNALXSJKWHEFR-MRXNPFEDSA-N 0 0 378.513 3.870 20 10 GHCDRN CCOC(=O)c1cc2c(s1)CCN(Cc1cc(Br)ccc1O)C2 ZINC001203642471 1027499098 /nfs/dbraw/zinc/49/90/98/1027499098.db2.gz JCIGFUOBKCYRCS-UHFFFAOYSA-N 0 0 396.306 3.951 20 10 GHCDRN O=C(NCc1c(O)cccc1F)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC001203670126 1027521464 /nfs/dbraw/zinc/52/14/64/1027521464.db2.gz RPWAYZJQWHBESY-CQSZACIVSA-N 0 0 378.272 3.912 20 10 GHCDRN CC[C@@H](CNC(=O)N1CCCN(c2ccc(OC)cc2)CC1)CC(F)(F)F ZINC000840433906 1027534387 /nfs/dbraw/zinc/53/43/87/1027534387.db2.gz VTDBTUZMZRXHCI-OAHLLOKOSA-N 0 0 387.446 3.896 20 10 GHCDRN Cc1ccc([C@@H]2COCCN2C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)o1 ZINC000840478300 1027562401 /nfs/dbraw/zinc/56/24/01/1027562401.db2.gz FUPJCGYXNGXQKF-JXFKEZNVSA-N 0 0 385.508 3.677 20 10 GHCDRN CC[C@H](C)c1nnc([C@@H](C)NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)[nH]1 ZINC000840483438 1027567995 /nfs/dbraw/zinc/56/79/95/1027567995.db2.gz KHHAHVYEIQBTSF-NUEKZKHPSA-N 0 0 386.544 3.684 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[C@]2(CCSC2)C1 ZINC000840483375 1027568182 /nfs/dbraw/zinc/56/81/82/1027568182.db2.gz JQEZZAWDLGZTLV-UWJYYQICSA-N 0 0 375.582 3.921 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C ZINC000840558089 1027616504 /nfs/dbraw/zinc/61/65/04/1027616504.db2.gz XKVNDAJTIKOQEN-XLIONFOSSA-N 0 0 387.568 3.535 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(Cc2ccc(O)c(O)c2)[C@H](Cc2ccccc2)C1 ZINC001203882717 1027677525 /nfs/dbraw/zinc/67/75/25/1027677525.db2.gz SMHCAEPLOFRMQG-LJQANCHMSA-N 0 0 398.503 3.762 20 10 GHCDRN CC(C)(C)OC(=O)N1CC[C@@H](N(Cc2ccncc2)Cc2ccc(O)c(O)c2)C1 ZINC001203881282 1027677669 /nfs/dbraw/zinc/67/76/69/1027677669.db2.gz OMGQOQRTJIOTKB-GOSISDBHSA-N 0 0 399.491 3.504 20 10 GHCDRN C[C@@H](c1ccc(Br)cc1)N1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203883412 1027678983 /nfs/dbraw/zinc/67/89/83/1027678983.db2.gz KPWPZJIVOXWLQC-AWEZNQCLSA-N 0 0 391.309 3.739 20 10 GHCDRN CCOc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)ccc1OC(=O)CC ZINC000840714555 1027751416 /nfs/dbraw/zinc/75/14/16/1027751416.db2.gz VOVUTBBULHIKCP-LGMDPLHJSA-N 0 0 388.489 3.857 20 10 GHCDRN C[C@@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc2n(n1)CCC2 ZINC000840716369 1027754839 /nfs/dbraw/zinc/75/48/39/1027754839.db2.gz XPLUIPBTWIHNCZ-CQSZACIVSA-N 0 0 394.441 3.536 20 10 GHCDRN COc1ccc(NCc2c(O)cc(C)cc2Cl)cc1-n1nnnc1C1CC1 ZINC000840906107 1027941174 /nfs/dbraw/zinc/94/11/74/1027941174.db2.gz DGQYBQVOZWPKTB-UHFFFAOYSA-N 0 0 385.855 3.828 20 10 GHCDRN CON(C)C(=O)c1cccc(Nc2ccc(C(=O)Oc3ccc(N)cc3)cc2)c1 ZINC001211402633 1027942974 /nfs/dbraw/zinc/94/29/74/1027942974.db2.gz JIDWLAHQEPYGAG-UHFFFAOYSA-N 0 0 391.427 3.865 20 10 GHCDRN CCN(C(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C1CC(C)(C)C1 ZINC000840980651 1028020611 /nfs/dbraw/zinc/02/06/11/1028020611.db2.gz MHSYATXZYRRJBE-UHFFFAOYSA-N 0 0 385.552 3.672 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Cc2noc3ccc(OC)cc23)cc1 ZINC000841021250 1028048102 /nfs/dbraw/zinc/04/81/02/1028048102.db2.gz AZMRIPWPUFXEDW-UHFFFAOYSA-N 0 0 381.476 3.884 20 10 GHCDRN CN(CCN(C)c1ccc(Nc2cnc3nccnc3c2)cc1)c1ccc(N)cc1 ZINC001213231995 1028059989 /nfs/dbraw/zinc/05/99/89/1028059989.db2.gz OFRVSUYVZGKNFM-UHFFFAOYSA-N 0 0 399.502 3.923 20 10 GHCDRN COc1ccncc1-c1noc(-c2csc(-c3ccc(N(C)C)cc3)n2)n1 ZINC001213245698 1028067608 /nfs/dbraw/zinc/06/76/08/1028067608.db2.gz XFNNEEYTPFXJPO-UHFFFAOYSA-N 0 0 379.445 3.997 20 10 GHCDRN Nc1ccc(CCNC(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)cc1 ZINC000841092047 1028117394 /nfs/dbraw/zinc/11/73/94/1028117394.db2.gz DMEMIODEMOTOMQ-UHFFFAOYSA-N 0 0 390.940 3.840 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H](C)Oc2ccc(F)cc2Cl)cc1 ZINC001461333104 1069504748 /nfs/dbraw/zinc/50/47/48/1069504748.db2.gz AQSKDZJSTKMMHM-AWEZNQCLSA-N 0 0 394.874 3.850 20 10 GHCDRN CC(=O)c1ncc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)s1 ZINC000841107895 1028147735 /nfs/dbraw/zinc/14/77/35/1028147735.db2.gz MGYPLWVJDIFHOK-UHFFFAOYSA-N 0 0 385.411 3.616 20 10 GHCDRN Nc1ccc(NC(=O)C(=O)N2CCC(c3c(Cl)cccc3Cl)CC2)cc1 ZINC000841130909 1028188523 /nfs/dbraw/zinc/18/85/23/1028188523.db2.gz WFJHCEHBCDUBMW-UHFFFAOYSA-N 0 0 392.286 3.920 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNc1cnn(-c2ccccc2S(C)(=O)=O)c1 ZINC001461359844 1069518371 /nfs/dbraw/zinc/51/83/71/1069518371.db2.gz XYJZVBNGPVHNHN-UHFFFAOYSA-N 0 0 394.500 3.688 20 10 GHCDRN C[C@@H](NC(=O)Nc1ccc2c(c1)CCCN2)c1ccc(N2CCOCC2)cc1 ZINC000841303194 1028394910 /nfs/dbraw/zinc/39/49/10/1028394910.db2.gz NRXXPWAXTVZEGH-MRXNPFEDSA-N 0 0 380.492 3.764 20 10 GHCDRN Cc1cccc(Cl)c1S(=O)(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000841478298 1028680971 /nfs/dbraw/zinc/68/09/71/1028680971.db2.gz JECKEXTZBZRCIE-HNNXBMFYSA-N 0 0 394.924 3.525 20 10 GHCDRN COc1ccc([C@H](C)NC(=O)NCCc2ccc(N)cc2)cc1Br ZINC000841665787 1028812358 /nfs/dbraw/zinc/81/23/58/1028812358.db2.gz AAEKXHOHJRYCTN-LBPRGKRZSA-N 0 0 392.297 3.643 20 10 GHCDRN Cc1cc(C)c(CNC(=O)[C@H](C)N(C(=O)OC(C)(C)C)c2cccnc2)c(O)c1 ZINC001142419567 1028863005 /nfs/dbraw/zinc/86/30/05/1028863005.db2.gz GAIFKAMKWNGKJI-INIZCTEOSA-N 0 0 399.491 3.850 20 10 GHCDRN O=C(NCc1cccc(Cl)c1O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001214785137 1028911903 /nfs/dbraw/zinc/91/19/03/1028911903.db2.gz BRSCLUBVQAANAC-UHFFFAOYSA-N 0 0 387.726 3.877 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N[C@H]3CCCc4cc(N)ccc43)CC2)cc1 ZINC000841778503 1028932284 /nfs/dbraw/zinc/93/22/84/1028932284.db2.gz CFMQRIOTHODLCD-QFIPXVFZSA-N 0 0 394.519 3.623 20 10 GHCDRN Nc1ccc(CCNC(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000841783947 1028935204 /nfs/dbraw/zinc/93/52/04/1028935204.db2.gz OHECBEPDKLMIGN-UHFFFAOYSA-N 0 0 377.410 3.861 20 10 GHCDRN CCOc1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(F)c1 ZINC000841786755 1028936917 /nfs/dbraw/zinc/93/69/17/1028936917.db2.gz UYBXHAHCODMSFZ-UHFFFAOYSA-N 0 0 391.418 3.522 20 10 GHCDRN O=C([O-])[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000841795190 1028941944 /nfs/dbraw/zinc/94/19/44/1028941944.db2.gz IBIIDGDSJXFBJF-LJQANCHMSA-N 0 0 387.411 3.640 20 10 GHCDRN COc1cccc(SC)c1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000841824588 1028968091 /nfs/dbraw/zinc/96/80/91/1028968091.db2.gz QZGDLOFVYYNBHK-UHFFFAOYSA-N 0 0 387.505 3.575 20 10 GHCDRN CN1CCCc2cc(CNC(=O)c3ccnc(OCc4ccccc4)c3)ccc21 ZINC001142465737 1028971764 /nfs/dbraw/zinc/97/17/64/1028971764.db2.gz OTBKNWLFRZJYQP-UHFFFAOYSA-N 0 0 387.483 3.973 20 10 GHCDRN Cc1cn(C(C)(C)C(=O)NCc2ccc3c(c2)CCCN3C)nc1C(F)(F)F ZINC001142469465 1028975084 /nfs/dbraw/zinc/97/50/84/1028975084.db2.gz IHPMAWQZQOXTDI-UHFFFAOYSA-N 0 0 394.441 3.644 20 10 GHCDRN O=C1OC[C@@H](c2ccccc2)N1C1CC[NH+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142508843 1029012891 /nfs/dbraw/zinc/01/28/91/1029012891.db2.gz NSCRKKUOHOSCLU-IBGZPJMESA-N 0 0 388.414 3.828 20 10 GHCDRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)NCCc1ccc(N)cc1 ZINC000841961224 1029015828 /nfs/dbraw/zinc/01/58/28/1029015828.db2.gz CQOKAORKBMTDOI-UHFFFAOYSA-N 0 0 381.398 3.594 20 10 GHCDRN COC[C@H]1CN(Cc2cc(F)c(F)cc2O)Cc2cn(CC3CCCC3)nc21 ZINC001142513159 1029018376 /nfs/dbraw/zinc/01/83/76/1029018376.db2.gz ZPFLHTOHRGWQDF-QGZVFWFLSA-N 0 0 391.462 3.803 20 10 GHCDRN Oc1cccc(-c2nc(-c3cccc(F)c3I)no2)c1O ZINC001215145966 1029058448 /nfs/dbraw/zinc/05/84/48/1029058448.db2.gz UYIUVIDZDBGFNX-UHFFFAOYSA-N 0 0 398.131 3.559 20 10 GHCDRN O=C(NCc1c(O)cccc1F)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC001215221635 1029098332 /nfs/dbraw/zinc/09/83/32/1029098332.db2.gz WKDKNNOIVRHEKM-ZDUSSCGKSA-N 0 0 378.375 3.550 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccc(OCC4CC4)cc3)C2)cc1 ZINC001215260951 1029118940 /nfs/dbraw/zinc/11/89/40/1029118940.db2.gz OOGVCAHKBKAACW-GOSISDBHSA-N 0 0 381.476 3.884 20 10 GHCDRN CC(=O)c1ccc(-c2noc(-c3ccc(O)c(O)c3)n2)c(Br)c1 ZINC001215304614 1029140688 /nfs/dbraw/zinc/14/06/88/1029140688.db2.gz VUZNHHLWFDFXBC-UHFFFAOYSA-N 0 0 375.178 3.780 20 10 GHCDRN Oc1ccc(-c2nc(-c3cccc(Br)c3Cl)no2)c(O)c1O ZINC001215325253 1029153615 /nfs/dbraw/zinc/15/36/15/1029153615.db2.gz IKURHQYHMWSHHJ-UHFFFAOYSA-N 0 0 383.585 3.936 20 10 GHCDRN Cc1cc(C(=O)Nc2ccccc2O[C@H]2CC(=O)N2)c(C)n1-c1ccccc1C ZINC001142620280 1029164469 /nfs/dbraw/zinc/16/44/69/1029164469.db2.gz DWWKPGASQFUSNR-QFIPXVFZSA-N 0 0 389.455 3.880 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3csc(-c4ccc(C)o4)n3)C2)cc1 ZINC001461491680 1069575853 /nfs/dbraw/zinc/57/58/53/1069575853.db2.gz DEBUBIDPPFLXRN-AWEZNQCLSA-N 0 0 383.473 3.729 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1ccccc1CC ZINC001142690797 1029272255 /nfs/dbraw/zinc/27/22/55/1029272255.db2.gz PBWYJEVSTVIAQE-VQTJNVASSA-N 0 0 381.472 3.650 20 10 GHCDRN O=C1c2ccccc2C(=O)c2cc(Nc3ccc(F)c(CO)c3F)c(O)cc21 ZINC001215653090 1029328519 /nfs/dbraw/zinc/32/85/19/1029328519.db2.gz LUWLVNSMQAIRIP-UHFFFAOYSA-N 0 0 381.334 3.682 20 10 GHCDRN Cc1cc(Br)cc(C(=O)NCc2ccc3cccnc3c2O)c1N ZINC001142730939 1029356935 /nfs/dbraw/zinc/35/69/35/1029356935.db2.gz INQVDWKDLAQTSI-UHFFFAOYSA-N 0 0 386.249 3.524 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cc(C)ccc3NC3CC3)C2)cc1 ZINC001142798524 1029481181 /nfs/dbraw/zinc/48/11/81/1029481181.db2.gz QTBMDFROKCCFQT-KRWDZBQOSA-N 0 0 379.504 3.834 20 10 GHCDRN COCCOc1ccc(Nc2ccc(OCCOc3ccc(N)cc3)cc2)cn1 ZINC001216067267 1029514287 /nfs/dbraw/zinc/51/42/87/1029514287.db2.gz IFLJMMRLHKMXNC-UHFFFAOYSA-N 0 0 395.459 3.890 20 10 GHCDRN CN(c1ccc(Cl)cc1C(F)(F)F)S(=O)(=O)Cc1ccc(N)cc1 ZINC001216135145 1029538253 /nfs/dbraw/zinc/53/82/53/1029538253.db2.gz KHFCYLZGNNIPGP-UHFFFAOYSA-N 0 0 378.803 3.907 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)[C@@H](C)OCc3ccc(F)cc3)C2)cc1 ZINC000842874153 1029651655 /nfs/dbraw/zinc/65/16/55/1029651655.db2.gz KWOWXRHQIWGYFX-AEFFLSMTSA-N 0 0 387.451 3.809 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3ccc4nc(C)n(C)c4c3)C2)cc1 ZINC000842875382 1029652635 /nfs/dbraw/zinc/65/26/35/1029652635.db2.gz KXWATSMBOBZIFS-INIZCTEOSA-N 0 0 379.460 3.574 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)[C@@H]3C[C@H]3c3cccc(OC)c3)C2)cc1 ZINC000842876373 1029653620 /nfs/dbraw/zinc/65/36/20/1029653620.db2.gz XPVWQXSIPHYGSC-WQTXXOFMSA-N 0 0 381.472 3.877 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@@H]3CCc4ccc(OC)cc43)C2)cc1 ZINC000842876248 1029653701 /nfs/dbraw/zinc/65/37/01/1029653701.db2.gz RRRRDYPHQKDLRD-IIBYNOLFSA-N 0 0 381.472 3.803 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3ccc(-n4ccnc4)cc3)C2)cc1 ZINC000842878051 1029655286 /nfs/dbraw/zinc/65/52/86/1029655286.db2.gz GMSHCHZNQBDRDM-KRWDZBQOSA-N 0 0 377.444 3.564 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)C[C@@H]3COc4cc(OC)ccc43)C2)cc1 ZINC000842878236 1029655389 /nfs/dbraw/zinc/65/53/89/1029655389.db2.gz JDOHHHPWKLFUFR-IAGOWNOFSA-N 0 0 397.471 3.640 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3cnc(-c4ccccn4)s3)C2)cc1 ZINC000842880295 1029657874 /nfs/dbraw/zinc/65/78/74/1029657874.db2.gz WGZJTHGXMQXPJG-HNNXBMFYSA-N 0 0 395.484 3.897 20 10 GHCDRN CCC(=O)c1ccc(OCC(=O)OC[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000842881499 1029659800 /nfs/dbraw/zinc/65/98/00/1029659800.db2.gz OFXTWOBHEWPMEK-QGZVFWFLSA-N 0 0 397.471 3.736 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3cncc(Br)c3)C2)cc1 ZINC000842881218 1029659826 /nfs/dbraw/zinc/65/98/26/1029659826.db2.gz KBRAUUZPRRHSJZ-ZDUSSCGKSA-N 0 0 391.265 3.536 20 10 GHCDRN [NH3+]CC[C@H]1CCCCN1Cc1cc(Br)cc(Br)c1[O-] ZINC000843122368 1029816826 /nfs/dbraw/zinc/81/68/26/1029816826.db2.gz BLLVHWKPHICYDP-GFCCVEGCSA-N 0 0 392.135 3.621 20 10 GHCDRN Cc1ccc(S(=O)(=O)C2(c3nc(Cc4ccc(N)cc4)no3)CCCC2)cc1 ZINC000843161518 1029835864 /nfs/dbraw/zinc/83/58/64/1029835864.db2.gz OIBSTJIWJDQHQG-UHFFFAOYSA-N 0 0 397.500 3.794 20 10 GHCDRN COC(=O)[C@H]1[C@@H](c2ccccc2)OCCN1Cc1cccc(C(C)(C)C)c1O ZINC001143116630 1029853591 /nfs/dbraw/zinc/85/35/91/1029853591.db2.gz GLFLKLIEFBBNHK-TZIWHRDSSA-N 0 0 383.488 3.805 20 10 GHCDRN CCS(=O)(=O)N1CCc2cc(-c3csc(Cc4ccc(N)cc4)n3)ccc21 ZINC000843288515 1029888170 /nfs/dbraw/zinc/88/81/70/1029888170.db2.gz DZFXZYMKCQXJFN-UHFFFAOYSA-N 0 0 399.541 3.695 20 10 GHCDRN COC(=O)c1cc(NC(=O)NCc2cc(C)ccc2O)ccc1Br ZINC001216730015 1029908253 /nfs/dbraw/zinc/90/82/53/1029908253.db2.gz IUKSYCTUBPGXCL-UHFFFAOYSA-N 0 0 393.237 3.571 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)NCc2ccc(Cl)cc2OC)cc1 ZINC001222007849 1029928895 /nfs/dbraw/zinc/92/88/95/1029928895.db2.gz INTVSDSGGJVHTR-UHFFFAOYSA-N 0 0 391.899 3.635 20 10 GHCDRN C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC001222191032 1029995484 /nfs/dbraw/zinc/99/54/84/1029995484.db2.gz CBEOGRFFAUUWSN-IEBWSBKVSA-N 0 0 399.535 3.572 20 10 GHCDRN Oc1ccc(-c2nc(-c3cc(F)c(OC4COC4)c(F)c3)no2)c(Cl)c1O ZINC001216952076 1030024907 /nfs/dbraw/zinc/02/49/07/1030024907.db2.gz SPRNGZMQJNCIEL-UHFFFAOYSA-N 0 0 396.733 3.524 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cc4ccccc4cc3N)C2)cc1 ZINC000843508567 1030056754 /nfs/dbraw/zinc/05/67/54/1030056754.db2.gz XOICSQKHAOJDJT-INIZCTEOSA-N 0 0 375.472 3.687 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)c1ccc2c(c1)NC(=O)CC2 ZINC001149346676 1030142413 /nfs/dbraw/zinc/14/24/13/1030142413.db2.gz PCAWDUCANDXLCV-NRFANRHFSA-N 0 0 378.472 3.947 20 10 GHCDRN N#[N+][N-]S(=O)(=O)c1ccc(-c2nc(-c3ccc4ccncc4c3)no2)cc1 ZINC001217093353 1030155468 /nfs/dbraw/zinc/15/54/68/1030155468.db2.gz CDLJLVDLLZVSEB-UHFFFAOYSA-N 0 0 378.373 3.951 20 10 GHCDRN COc1ccc(F)c(-c2noc(-c3ccc(S(=O)(=O)[N-][N+]#N)cc3)n2)c1 ZINC001217093827 1030156672 /nfs/dbraw/zinc/15/66/72/1030156672.db2.gz UPZHAWNQPCZSFA-UHFFFAOYSA-N 0 0 375.341 3.550 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Cn1cc(C=O)c(-c2ccccc2)n1 ZINC001149880319 1030337325 /nfs/dbraw/zinc/33/73/25/1030337325.db2.gz HWWGXUZAFHSESZ-UHFFFAOYSA-N 0 0 377.444 3.507 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@@H](O)c2ccccc2C)cc1 ZINC001149926255 1030349352 /nfs/dbraw/zinc/34/93/52/1030349352.db2.gz OPTPZSWPNVBADT-HSZRJFAPSA-N 0 0 390.483 3.607 20 10 GHCDRN Cc1c(Br)cncc1-c1noc(-c2cc3cc(O)c(O)cc3[nH]2)n1 ZINC001217473192 1030422328 /nfs/dbraw/zinc/42/23/28/1030422328.db2.gz CNTUZHQGZOTBJT-UHFFFAOYSA-N 0 0 387.193 3.762 20 10 GHCDRN CC(C)c1ccc(-c2noc(CCC(=O)NCCc3ccc(N)cc3)n2)cc1 ZINC000236854906 1030438973 /nfs/dbraw/zinc/43/89/73/1030438973.db2.gz NIXFBVKWJXOKGA-UHFFFAOYSA-N 0 0 378.476 3.734 20 10 GHCDRN Cc1cc(CNC(=O)NC[C@@H]2COc3ccccc3O2)c(C)n1-c1ccccc1 ZINC001223152967 1030460194 /nfs/dbraw/zinc/46/01/94/1030460194.db2.gz WCRSZLBJRFAKBI-HXUWFJFHSA-N 0 0 391.471 3.733 20 10 GHCDRN CC(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Br)cc(F)c1[O-] ZINC001276881125 1030523286 /nfs/dbraw/zinc/52/32/86/1030523286.db2.gz IKNUZIWQTCAVGD-HZPDHXFCSA-N 0 0 399.304 3.515 20 10 GHCDRN Cc1cc(C(=O)N2CCN3C(=O)OCC[C@@H]3C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC001151045482 1030755857 /nfs/dbraw/zinc/75/58/57/1030755857.db2.gz IILKJDMJUNUDDE-HXUWFJFHSA-N 0 0 395.503 3.884 20 10 GHCDRN O=c1cc(-c2ccccc2)oc2cc([O-])c(O)c(O[C@@H]3CCC[C@@H]4C[NH2+]C[C@@H]43)c12 ZINC001218144156 1030794576 /nfs/dbraw/zinc/79/45/76/1030794576.db2.gz CVIUOZQBBUHZFL-RVKKMQEKSA-N 0 0 393.439 3.638 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)/C=C(/C)c3ccccc3OC)CC2)cc1 ZINC001151503361 1030928121 /nfs/dbraw/zinc/92/81/21/1030928121.db2.gz QYZAMXSIHDBMIE-ZCXUNETKSA-N 0 0 380.488 3.846 20 10 GHCDRN O=C(Cc1c[nH]c2nccc(Cl)c12)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001151902371 1031045189 /nfs/dbraw/zinc/04/51/89/1031045189.db2.gz BTASPZPKJSBLLP-MRXNPFEDSA-N 0 0 399.878 3.672 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCc4c3cccc4Cl)C2)cc1 ZINC001224605734 1031058242 /nfs/dbraw/zinc/05/82/42/1031058242.db2.gz XMSSAGXUMJFGKS-XOBRGWDASA-N 0 0 385.895 3.914 20 10 GHCDRN CCOC(=O)c1cc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)[nH]n1 ZINC001153263697 1031513394 /nfs/dbraw/zinc/51/33/94/1031513394.db2.gz DJDVRBHCEHCNDI-UHFFFAOYSA-N 0 0 386.839 3.900 20 10 GHCDRN COC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001153482355 1031611030 /nfs/dbraw/zinc/61/10/30/1031611030.db2.gz JYLQSMBWJBJCNO-INIZCTEOSA-N 0 0 396.821 3.770 20 10 GHCDRN Cc1cc(C(=O)NCCc2ccc(O)c(CO)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC001153803441 1031748215 /nfs/dbraw/zinc/74/82/15/1031748215.db2.gz YYYUXRYYQFZVEQ-UHFFFAOYSA-N 0 0 392.499 3.881 20 10 GHCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)c1cccc2nc(N)ccc21 ZINC001153803033 1031748526 /nfs/dbraw/zinc/74/85/26/1031748526.db2.gz LMAANTUKQIMNFX-KMHMHKKISA-N 0 0 383.415 3.784 20 10 GHCDRN COC(=O)c1cc(C(F)(F)N(C)Cc2ccc(N(C)C)cc2)cnc1Cl ZINC001156924212 1033321829 /nfs/dbraw/zinc/32/18/29/1033321829.db2.gz RFXCXWUCCFGOIU-UHFFFAOYSA-N 0 0 383.826 3.769 20 10 GHCDRN O=C1c2cccc(OC[C@@H]3CC[C@]4(CCCCO4)O3)c2C(=O)c2cccc(O)c21 ZINC001229191512 1033332173 /nfs/dbraw/zinc/33/21/73/1033332173.db2.gz BKHRHKLYGZAFDJ-PSLXWICFSA-N 0 0 394.423 3.622 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1snc2ccccc21 ZINC001205267618 1033333296 /nfs/dbraw/zinc/33/32/96/1033333296.db2.gz CIXHAAHDPBQQFG-UHFFFAOYSA-N 0 0 386.452 3.594 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H](C)Oc2cccc(Br)c2)c1 ZINC001229310339 1033410981 /nfs/dbraw/zinc/41/09/81/1033410981.db2.gz MIQRJEXFHZHZQT-CYBMUJFWSA-N 0 0 393.281 3.730 20 10 GHCDRN COC(=O)[C@H](NCc1ccc(N(C)C)cc1C)c1ccc(Br)cc1 ZINC001205450576 1033418047 /nfs/dbraw/zinc/41/80/47/1033418047.db2.gz MYPDHIWTYCUFKU-GOSISDBHSA-N 0 0 391.309 3.827 20 10 GHCDRN O=C1N(CCC(F)(F)F)CC[C@@]12CCC[N@H+]2Cc1cc(Cl)cc(F)c1[O-] ZINC001277388618 1033488636 /nfs/dbraw/zinc/48/86/36/1033488636.db2.gz XRPGGMUVIXQRGE-INIZCTEOSA-N 0 0 394.796 3.704 20 10 GHCDRN CSc1ccc(Oc2cc(NCCc3cc(O)c(O)cc3O)ncn2)cc1 ZINC001157245320 1033490280 /nfs/dbraw/zinc/49/02/80/1033490280.db2.gz VINAMBPFQZTOCG-UHFFFAOYSA-N 0 0 385.445 3.762 20 10 GHCDRN O=[N+]([O-])c1ccc2nc(Cl)cc(NCCc3cc(O)c(O)cc3O)c2c1 ZINC001157245172 1033490300 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CC(C)(C)OC(=O)Nc1cc(NCc2cc(Br)ccc2O)ncn1 ZINC001160011523 1034827570 /nfs/dbraw/zinc/82/75/70/1034827570.db2.gz DQLFCAMRYQRXBV-UHFFFAOYSA-N 0 0 395.257 3.904 20 10 GHCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)N2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC001208253528 1034835086 /nfs/dbraw/zinc/83/50/86/1034835086.db2.gz DHVGGNVYWQPFJZ-UXHICEINSA-N 0 0 393.597 3.722 20 10 GHCDRN CC[C@H](C)Oc1cccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC001208301268 1034851503 /nfs/dbraw/zinc/85/15/03/1034851503.db2.gz XGKKUFDOYMOWQU-KRWDZBQOSA-N 0 0 388.533 3.943 20 10 GHCDRN COC(=O)[C@@H]1c2ccccc2CCN1Cc1cc(Br)cc(C)c1O ZINC001461919304 1069884903 /nfs/dbraw/zinc/88/49/03/1069884903.db2.gz NHKWTUNBPYMZLA-KRWDZBQOSA-N 0 0 390.277 3.736 20 10 GHCDRN FC(F)(F)Oc1ccc(N2CCN(Cc3cccc4c3OCCO4)CC2)cc1 ZINC001231888024 1034968482 /nfs/dbraw/zinc/96/84/82/1034968482.db2.gz NBIWQXFYFRIAPH-UHFFFAOYSA-N 0 0 394.393 3.679 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2ncccc2Br)C1 ZINC001232166204 1035140580 /nfs/dbraw/zinc/14/05/80/1035140580.db2.gz HMVSYOCQGZIHAZ-UHFFFAOYSA-N 0 0 386.293 3.903 20 10 GHCDRN CC(C)(C)OC(=O)O[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232198650 1035156903 /nfs/dbraw/zinc/15/69/03/1035156903.db2.gz ZLIFPVRZSVQHKA-MRXNPFEDSA-N 0 0 396.915 3.703 20 10 GHCDRN CC(C)(C)OC(=O)[C@@H]1CCCCN1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232203002 1035160180 /nfs/dbraw/zinc/16/01/80/1035160180.db2.gz LGLMXDXLMZUGNP-IBGZPJMESA-N 0 0 394.943 3.873 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)c1cnc2cc(OC)ccc2c1O ZINC001161230228 1035186222 /nfs/dbraw/zinc/18/62/22/1035186222.db2.gz OMDPOFMTXJTHJM-UHFFFAOYSA-N 0 0 380.444 3.685 20 10 GHCDRN Cc1ccc(CCS(=O)(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 ZINC001209407111 1035271114 /nfs/dbraw/zinc/27/11/14/1035271114.db2.gz YZKFIIJCZUHWKK-UHFFFAOYSA-N 0 0 386.561 3.893 20 10 GHCDRN Cc1cc(CCNC(=O)Nc2ccnn2[C@H]2CCOC2)c(C)n1-c1ccccc1 ZINC001209610468 1035330126 /nfs/dbraw/zinc/33/01/26/1035330126.db2.gz SEBXDGYSFAFZNZ-FQEVSTJZSA-N 0 0 393.491 3.616 20 10 GHCDRN Cc1ccc(-c2noc(Cc3ccc(N)cc3)n2)cc1I ZINC001248183499 1035612059 /nfs/dbraw/zinc/61/20/59/1035612059.db2.gz IXLWZKQGNSFZDT-UHFFFAOYSA-N 0 0 391.212 3.823 20 10 GHCDRN Oc1cc(Br)ccc1CN1CCN(c2ccc(Cl)cn2)CC1 ZINC001462013962 1069945520 /nfs/dbraw/zinc/94/55/20/1069945520.db2.gz QCKRUWUQFUNHQF-UHFFFAOYSA-N 0 0 382.689 3.525 20 10 GHCDRN COc1cc(I)cc(C[N@H+](CC2CC2)C(C)C)c1O ZINC001248401333 1035816008 /nfs/dbraw/zinc/81/60/08/1035816008.db2.gz XYQPTKYOECUXSD-UHFFFAOYSA-N 0 0 375.250 3.626 20 10 GHCDRN COc1cc(O)c(CN2CC(c3ccccc3)C2)cc1I ZINC001248472303 1035900056 /nfs/dbraw/zinc/90/00/56/1035900056.db2.gz XDRZPCUHIONJKZ-UHFFFAOYSA-N 0 0 395.240 3.605 20 10 GHCDRN COc1ccc(C[N@H+](C)CCc2ccccc2)c([O-])c1I ZINC001248476756 1035903758 /nfs/dbraw/zinc/90/37/58/1035903758.db2.gz PBDQMCMWOZBLJE-UHFFFAOYSA-N 0 0 397.256 3.680 20 10 GHCDRN CC[C@@H](NC(=O)N1CCN(c2ccc(OC)cc2OC)CC1)C1CCCC1 ZINC001248684562 1036051185 /nfs/dbraw/zinc/05/11/85/1036051185.db2.gz DFWQWVGIIMWILR-GOSISDBHSA-N 0 0 375.513 3.504 20 10 GHCDRN CCOc1ccc(N2CCN(Cc3cc(Br)cnc3C)CC2)cc1 ZINC001248782398 1036144579 /nfs/dbraw/zinc/14/45/79/1036144579.db2.gz ZKCXVXZZJDFCJI-UHFFFAOYSA-N 0 0 390.325 3.873 20 10 GHCDRN CN(c1ccccc1)c1cc(-c2cnn(CCO[C@H]3CCCCO3)c2)ncn1 ZINC001243863995 1036310107 /nfs/dbraw/zinc/31/01/07/1036310107.db2.gz LNLLOIUXGXLPHS-NRFANRHFSA-N 0 0 379.464 3.651 20 10 GHCDRN O=C1c2ccccc2C(=O)c2cc(NC(=S)NCCc3ccccc3)ccc21 ZINC001245281106 1036849440 /nfs/dbraw/zinc/84/94/40/1036849440.db2.gz MIRGXXYGBIVMHW-UHFFFAOYSA-N 0 0 386.476 3.991 20 10 GHCDRN C[NH+](C)CCN(Cc1ccccc1F)Cc1cc(Br)cc(F)c1[O-] ZINC001462211471 1070085382 /nfs/dbraw/zinc/08/53/82/1070085382.db2.gz RFSCCKWKMMFIFZ-UHFFFAOYSA-N 0 0 399.279 3.997 20 10 GHCDRN Cc1ccc(NC(=S)NCCCC[S@@](C)=O)c(C(=O)c2ccccc2)c1 ZINC001246960429 1037781309 /nfs/dbraw/zinc/78/13/09/1037781309.db2.gz VTWAUGOVTSZSNY-AREMUKBSSA-N 0 0 388.558 3.671 20 10 GHCDRN CCC[C@H](COC)[N@H+](CCC(=O)OCC)Cc1cc(Cl)c(OC)cc1O ZINC001232267925 1037990321 /nfs/dbraw/zinc/99/03/21/1037990321.db2.gz KGABSFHDTUOHEX-OAHLLOKOSA-N 0 0 387.904 3.625 20 10 GHCDRN COC(=O)c1c(CN2CCc3ccc(C(C)=O)cc3C2)c2ccccc2n1C ZINC001232406101 1038188765 /nfs/dbraw/zinc/18/87/65/1038188765.db2.gz ULXYCVZOLULSJZ-UHFFFAOYSA-N 0 0 376.456 3.726 20 10 GHCDRN COC(=O)c1c(CN2CCO[C@@](C)(c3ccc(F)cc3)C2)c2ccccc2n1C ZINC001232406073 1038189406 /nfs/dbraw/zinc/18/94/06/1038189406.db2.gz SQUUSKKVTWSPKM-HSZRJFAPSA-N 0 0 396.462 3.852 20 10 GHCDRN CCOC(=O)c1sc(-c2ccc(O)c(CN(C)Cc3ccon3)c2)nc1C ZINC001232454195 1038237678 /nfs/dbraw/zinc/23/76/78/1038237678.db2.gz XZIVWVARSCOKQN-UHFFFAOYSA-N 0 0 387.461 3.621 20 10 GHCDRN O=C(c1cccs1)N1CCC2(C1)CC[NH+](Cc1ccc(F)c(F)c1[O-])CC2 ZINC001233074782 1038839053 /nfs/dbraw/zinc/83/90/53/1038839053.db2.gz MPTICYWIBQMMGG-UHFFFAOYSA-N 0 0 392.471 3.860 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N3CCc4ccc(Cl)cc43)C2)cc1 ZINC001252115360 1038866358 /nfs/dbraw/zinc/86/63/58/1038866358.db2.gz JYBCIDOGAQDTJZ-HNNXBMFYSA-N 0 0 385.895 3.947 20 10 GHCDRN COC(=O)c1ccc2c(c1)CCN(Cc1cc(Br)cc(C)c1O)C2 ZINC001233106765 1038890805 /nfs/dbraw/zinc/89/08/05/1038890805.db2.gz MUMZHNPKKBKSRW-UHFFFAOYSA-N 0 0 390.277 3.808 20 10 GHCDRN COC(=O)c1ccc(C2C[NH+](Cc3cc(Br)cc(C)c3O)C2)cc1 ZINC001233111465 1038901850 /nfs/dbraw/zinc/90/18/50/1038901850.db2.gz OYRRCCULZRMVSL-UHFFFAOYSA-N 0 0 390.277 3.849 20 10 GHCDRN Cc1cc(Br)cc(C[NH+]2CCC(NC(=O)C(C)(C)C)CC2)c1O ZINC001233111482 1038902058 /nfs/dbraw/zinc/90/20/58/1038902058.db2.gz PVPPHNNSEDPLAW-UHFFFAOYSA-N 0 0 383.330 3.590 20 10 GHCDRN C[C@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(F)c(F)c1 ZINC001252248528 1038914245 /nfs/dbraw/zinc/91/42/45/1038914245.db2.gz QYXQPVJNCUGOQN-YOEHRIQHSA-N 0 0 375.415 3.982 20 10 GHCDRN COCOc1cccc(C[NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC001233283720 1039058022 /nfs/dbraw/zinc/05/80/22/1039058022.db2.gz SOBGYDHOTOJAHN-UHFFFAOYSA-N 0 0 396.409 3.890 20 10 GHCDRN CC(C)N(C)Cc1nnc2n1CCCN(Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001233285643 1039062147 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CCc1c(C(=O)NCc2ccc(N(C)C)c(F)c2)cnn1Cc1ccccc1 ZINC000746804977 878879248 /nfs/dbraw/zinc/87/92/48/878879248.db2.gz BAQKLJBLKDDHKO-UHFFFAOYSA-N 0 0 380.467 3.629 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H](c1cccs1)C1CC1 ZINC000853265812 878941202 /nfs/dbraw/zinc/94/12/02/878941202.db2.gz IWXYQCLIRWOFIP-FQEVSTJZSA-N 0 0 385.533 3.660 20 10 GHCDRN COc1cc(N2CCN(C(=O)Nc3cc(C)cc(C)c3)CC2)cc(OC)c1OC ZINC000008688161 878955956 /nfs/dbraw/zinc/95/59/56/878955956.db2.gz PQTBUFWCGQDHHZ-UHFFFAOYSA-N 0 0 399.491 3.683 20 10 GHCDRN CN1CCCc2cc(CNC(=O)CCOc3ccc(F)c(Cl)c3)ccc21 ZINC000746813679 878984207 /nfs/dbraw/zinc/98/42/07/878984207.db2.gz ZJWXVEWPYOTDQZ-UHFFFAOYSA-N 0 0 376.859 3.947 20 10 GHCDRN O=S1(=O)N=C(Cl)c2ccc(NCc3c(O)ccc4c3CCCC4)cc21 ZINC000853383815 878996071 /nfs/dbraw/zinc/99/60/71/878996071.db2.gz ZZVYCTJAPXGLIQ-UHFFFAOYSA-N 0 0 376.865 3.571 20 10 GHCDRN CC[C@@]1(CO)CCC[N@@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000789565783 879075354 /nfs/dbraw/zinc/07/53/54/879075354.db2.gz 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CC(=O)N1CCC[C@H](c2noc(Cc3cc(C)n(-c4ccccc4)c3C)n2)C1 ZINC000854035746 879462011 /nfs/dbraw/zinc/46/20/11/879462011.db2.gz PXPPVZFHCGUOHE-SFHVURJKSA-N 0 0 378.476 3.794 20 10 GHCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C[C@]1(C)CO ZINC000854038370 879466079 /nfs/dbraw/zinc/46/60/79/879466079.db2.gz DJANKESAFGMOIV-WHSLLNHNSA-N 0 0 393.959 3.736 20 10 GHCDRN COCCN(C)c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cn1 ZINC000790101491 879466470 /nfs/dbraw/zinc/46/64/70/879466470.db2.gz OQTRLIFEJUSXCW-FOWTUZBSSA-N 0 0 385.514 3.570 20 10 GHCDRN CC(=O)c1cc(F)cc(CN2CC(C)(c3nnc(-c4cccc(F)c4)o3)C2)c1O ZINC000854086474 879513030 /nfs/dbraw/zinc/51/30/30/879513030.db2.gz BJJCOSMVNVGCHM-UHFFFAOYSA-N 0 0 399.397 3.697 20 10 GHCDRN COc1ccc(CSCC(=O)NCc2ccc(N(C)C)cc2)cc1Cl ZINC000790298796 879604621 /nfs/dbraw/zinc/60/46/21/879604621.db2.gz BPPRLIBQWNZUCK-UHFFFAOYSA-N 0 0 378.925 3.964 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3ccc(OC(F)F)cc3)C2)cc1 ZINC000854185668 879616922 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Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000790996732 880123555 /nfs/dbraw/zinc/12/35/55/880123555.db2.gz YRLVIODEHNXGBM-HNNXBMFYSA-N 0 0 378.314 3.888 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CC1(NC(=O)OC(C)(C)C)CC1 ZINC000854948057 880168956 /nfs/dbraw/zinc/16/89/56/880168956.db2.gz KGSDEPMSLGKLMO-INIZCTEOSA-N 0 0 389.540 3.556 20 10 GHCDRN COc1ccc(OC(C)(C)C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000854980477 880194249 /nfs/dbraw/zinc/19/42/49/880194249.db2.gz BZAVUDCYZWBFNL-QGZVFWFLSA-N 0 0 398.503 3.504 20 10 GHCDRN CCCCO[C@H](C)C(=O)Nc1ccc(N2CCC(O)CC2)cc1OCCC ZINC000791248907 880282622 /nfs/dbraw/zinc/28/26/22/880282622.db2.gz ALTPOLZOOCGRBT-MRXNPFEDSA-N 0 0 378.513 3.580 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000791245673 880304939 /nfs/dbraw/zinc/30/49/39/880304939.db2.gz DLMAIXONVSYSAT-UHFFFAOYSA-N 0 0 399.447 3.597 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3c(C)n(C)c4ccc(OC)cc43)C2)cc1 ZINC000855227225 880370970 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Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H](C)c1noc(C(F)F)n1 ZINC000861960857 886030221 /nfs/dbraw/zinc/03/02/21/886030221.db2.gz OQEOGCUEFKSCAJ-LLVKDONJSA-N 0 0 388.374 3.718 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC[C@H](O)CC23CCC3)ccc1C ZINC000862019962 886056107 /nfs/dbraw/zinc/05/61/07/886056107.db2.gz HFWNMAAGFGYYPI-FQEVSTJZSA-N 0 0 380.488 3.735 20 10 GHCDRN C[C@@H](C(=O)Nc1cccc2ncccc21)N1CCOc2cc(N(C)C)ccc21 ZINC000762349370 886057828 /nfs/dbraw/zinc/05/78/28/886057828.db2.gz UELOTRTUXCYMFI-HNNXBMFYSA-N 0 0 376.460 3.527 20 10 GHCDRN CC[C@@H](C)c1nc(C)c(CC(=O)NCc2ccc3cccnc3c2O)c(C)n1 ZINC000862025010 886061755 /nfs/dbraw/zinc/06/17/55/886061755.db2.gz KRBTZCBXYLBRNF-CYBMUJFWSA-N 0 0 378.476 3.720 20 10 GHCDRN CC[C@H]1[C@H](C(=O)NCc2ccc3cccnc3c2O)CCN1C(=O)OC(C)(C)C ZINC000862025762 886061786 /nfs/dbraw/zinc/06/17/86/886061786.db2.gz AELRVJDZZFVPJO-SJORKVTESA-N 0 0 399.491 3.592 20 10 GHCDRN CC[C@@H]1[C@H](C(=O)NCc2ccc3cccnc3c2O)CCN1C(=O)OC(C)(C)C ZINC000862025760 886061893 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COc1ccc(-n2c(C)cc(C(=O)NC[C@H](O)c3cccc(F)c3)c2C)cc1 ZINC000762384031 886122840 /nfs/dbraw/zinc/12/28/40/886122840.db2.gz AKWIDVSWWLZUMJ-NRFANRHFSA-N 0 0 382.435 3.705 20 10 GHCDRN COC(=O)[C@@H](CC(F)F)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000762403924 886149663 /nfs/dbraw/zinc/14/96/63/886149663.db2.gz KLOSXEGMLZKKQL-OAHLLOKOSA-N 0 0 384.810 3.674 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)c1 ZINC000862151415 886166432 /nfs/dbraw/zinc/16/64/32/886166432.db2.gz HRVWJDJTSJJASF-IBGZPJMESA-N 0 0 378.432 3.734 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000808279904 886217400 /nfs/dbraw/zinc/21/74/00/886217400.db2.gz AHZNTPLYEQMCLH-UHFFFAOYSA-N 0 0 377.391 3.578 20 10 GHCDRN Cc1ccc(-n2cc(C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)nn2)cc1 ZINC000915284731 886229734 /nfs/dbraw/zinc/22/97/34/886229734.db2.gz ZLSWVFZMADNCEC-UHFFFAOYSA-N 0 0 377.492 3.693 20 10 GHCDRN C[C@@H](NC(=O)C1(c2cccnc2)CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000808305257 886236476 /nfs/dbraw/zinc/23/64/76/886236476.db2.gz MNWWMTBEZZBFKY-GOSISDBHSA-N 0 0 379.504 3.607 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000808370451 886282191 /nfs/dbraw/zinc/28/21/91/886282191.db2.gz WVSHHVLUWBLJHP-XMSQKQJNSA-N 0 0 380.488 3.991 20 10 GHCDRN COc1ccc([C@H](O)C2CCN(Cc3cc(F)c(N(C)C)cc3F)CC2)cc1 ZINC000862372735 886334002 /nfs/dbraw/zinc/33/40/02/886334002.db2.gz RQQWFYICLXZPCX-QFIPXVFZSA-N 0 0 390.474 3.985 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000919783448 886358993 /nfs/dbraw/zinc/35/89/93/886358993.db2.gz NILQPPUUYLDIFF-UHFFFAOYSA-N 0 0 388.899 3.624 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)c1ccccc1Br ZINC000765763554 886372712 /nfs/dbraw/zinc/37/27/12/886372712.db2.gz DDDNJNOYGVHDSF-UHFFFAOYSA-N 0 0 385.055 3.847 20 10 GHCDRN CC(=O)C(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000808486197 886394700 /nfs/dbraw/zinc/39/47/00/886394700.db2.gz KBCIUTLEBXAUOQ-UHFFFAOYSA-N 0 0 382.803 3.508 20 10 GHCDRN Cc1cc(C(=O)N(C)[C@@H](CO)COC(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000762566870 886433008 /nfs/dbraw/zinc/43/30/08/886433008.db2.gz QHHKEIQFQRECEQ-SFHVURJKSA-N 0 0 378.900 3.605 20 10 GHCDRN COCCOc1cccc(CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000119016971 886515717 /nfs/dbraw/zinc/51/57/17/886515717.db2.gz JWDRGWBFLSRINB-UHFFFAOYSA-N 0 0 396.531 3.903 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(C)n(Cc3ccncc3)c2C)c1 ZINC000762621196 886553007 /nfs/dbraw/zinc/55/30/07/886553007.db2.gz GELDUYTYLNUFKW-HNNXBMFYSA-N 0 0 379.460 3.753 20 10 GHCDRN CSCC[C@H](NC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C)C(N)=O ZINC000862715491 886557207 /nfs/dbraw/zinc/55/72/07/886557207.db2.gz YOJWVSRCIBOGJD-IBGZPJMESA-N 0 0 387.549 3.554 20 10 GHCDRN CCOc1ccc(N2CCN(CC(=O)Nc3ccc4ccccc4c3)CC2)cc1 ZINC001168325403 886602898 /nfs/dbraw/zinc/60/28/98/886602898.db2.gz WHPCQDMPXWSXPW-UHFFFAOYSA-N 0 0 389.499 3.999 20 10 GHCDRN Cc1cc(Cl)cc([C@@H](C)Nc2ccc(CC(=O)N3CCOCC3)cc2)c1O ZINC000808709379 886690987 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Cc1cc(CNC(=O)CCn2c(C)c(C)sc2=O)c(C)n1-c1ccccc1 ZINC000863165741 886901554 /nfs/dbraw/zinc/90/15/54/886901554.db2.gz MWAKJOHCKWHUIF-UHFFFAOYSA-N 0 0 383.517 3.641 20 10 GHCDRN COC(=O)c1cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc2[nH]ccc21 ZINC000808874301 886926881 /nfs/dbraw/zinc/92/68/81/886926881.db2.gz BKAFRNLRXGRRHM-UHFFFAOYSA-N 0 0 390.443 3.652 20 10 GHCDRN COc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1OC ZINC000119443873 887101847 /nfs/dbraw/zinc/10/18/47/887101847.db2.gz QSZNOCHEBAWARM-IBGZPJMESA-N 0 0 398.503 3.591 20 10 GHCDRN CC(C)Cn1ccc2cc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3)ccc21 ZINC000119456389 887112457 /nfs/dbraw/zinc/11/24/57/887112457.db2.gz BQZNFWDNAOYAOG-UHFFFAOYSA-N 0 0 392.503 3.618 20 10 GHCDRN Cc1cc(C(=O)CN2CCN(CC(F)(F)F)[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC000762928481 887118074 /nfs/dbraw/zinc/11/80/74/887118074.db2.gz SWTRNYXPBKVOED-INIZCTEOSA-N 0 0 393.453 3.845 20 10 GHCDRN COc1ccc(OC)c(CCCNC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000179126423 887121689 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GHCDRN CN(C)c1ccc(CN(C)Cn2c(=O)oc3cccc(Br)c32)cc1 ZINC000794617314 887681263 /nfs/dbraw/zinc/68/12/63/887681263.db2.gz UZRWKUYOROBANW-UHFFFAOYSA-N 0 0 390.281 3.513 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc3c([nH]c2=O)CCC3)cc1 ZINC000915847676 887692004 /nfs/dbraw/zinc/69/20/04/887692004.db2.gz LWJOMKDFQNFKSD-UHFFFAOYSA-N 0 0 391.471 3.778 20 10 GHCDRN COC(=O)c1cccc(C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)c1 ZINC000915847693 887692316 /nfs/dbraw/zinc/69/23/16/887692316.db2.gz OHFQKZOPSZJVFR-UHFFFAOYSA-N 0 0 392.455 3.975 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[N@H+]2CCCC[C@@H]2COC(=O)N(C)C)c1 ZINC000809709244 887729808 /nfs/dbraw/zinc/72/98/08/887729808.db2.gz OGWXVFVVYMUUFJ-CQSZACIVSA-N 0 0 385.302 3.516 20 10 GHCDRN COCCN(Cc1cccnc1)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809740744 887776589 /nfs/dbraw/zinc/77/65/89/887776589.db2.gz COGWIWSXZBYSCQ-UHFFFAOYSA-N 0 0 384.480 3.629 20 10 GHCDRN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCC[C@@H](C(C)(C)C)C2)c1 ZINC000794703365 887876914 /nfs/dbraw/zinc/87/69/14/887876914.db2.gz BWBOHSHGQBXEIE-OAQYLSRUSA-N 0 0 388.552 3.685 20 10 GHCDRN COCC1=CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C)CC1 ZINC000809826291 887879068 /nfs/dbraw/zinc/87/90/68/887879068.db2.gz BNPHPALAACLDSZ-UHFFFAOYSA-N 0 0 377.492 3.673 20 10 GHCDRN Cc1ccc(I)cc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000763178876 888078142 /nfs/dbraw/zinc/07/81/42/888078142.db2.gz HEMUXYDDTJSXNT-UHFFFAOYSA-N 0 0 394.256 3.596 20 10 GHCDRN COC(=O)c1ccc(Cl)c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000810064649 888150373 /nfs/dbraw/zinc/15/03/73/888150373.db2.gz ONYAJIDVKJOPDG-UHFFFAOYSA-N 0 0 386.879 3.997 20 10 GHCDRN CC[C@@H](Nc1ccc(NC(=O)CN2CCOCC2)cc1)c1ccc(C)cc1O ZINC000794815607 888206039 /nfs/dbraw/zinc/20/60/39/888206039.db2.gz WMBHENNRGSIUQP-HXUWFJFHSA-N 0 0 383.492 3.535 20 10 GHCDRN C[C@@H](C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])NC(=O)OC(C)(C)C ZINC000794825349 888239676 /nfs/dbraw/zinc/23/96/76/888239676.db2.gz MWPATMACLGLZPO-UWVGGRQHSA-N 0 0 391.281 3.858 20 10 GHCDRN CC[C@@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1ccc(N(C)C)cc1 ZINC000794830289 888243762 /nfs/dbraw/zinc/24/37/62/888243762.db2.gz VVHDBNXMQPSURA-QZTJIDSGSA-N 0 0 390.325 3.782 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)Nc2cc(OC)cnc2F)CCCC1 ZINC001132111317 888244608 /nfs/dbraw/zinc/24/46/08/888244608.db2.gz UFUCHUMNAFYCJZ-UHFFFAOYSA-N 0 0 383.423 3.710 20 10 GHCDRN CCc1nnc([C@H](C)NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)[nH]1 ZINC000763201760 888249704 /nfs/dbraw/zinc/24/97/04/888249704.db2.gz LPYLALLMHNXAIX-ZDUSSCGKSA-N 0 0 385.899 3.848 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccn2ccnc2c1 ZINC000810228822 888304497 /nfs/dbraw/zinc/30/44/97/888304497.db2.gz LWKIMABNBOKGCE-UHFFFAOYSA-N 0 0 389.253 3.856 20 10 GHCDRN COc1ccc(-c2n[nH]cc2C=C2SC(=S)N(c3cccnc3)C2=O)cc1 ZINC000810204667 888314142 /nfs/dbraw/zinc/31/41/42/888314142.db2.gz DMWLMJBSBNXHSS-CXUHLZMHSA-N 0 0 394.481 3.886 20 10 GHCDRN CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000810256762 888359918 /nfs/dbraw/zinc/35/99/18/888359918.db2.gz GDFINOGXSFAOFK-HRDYMLBCSA-N 0 0 381.108 3.991 20 10 GHCDRN CCCCCCNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000915881068 888404664 /nfs/dbraw/zinc/40/46/64/888404664.db2.gz JBZAZYREQNJPEL-UHFFFAOYSA-N 0 0 387.446 3.922 20 10 GHCDRN C[C@H]([NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000794842668 888423355 /nfs/dbraw/zinc/42/33/55/888423355.db2.gz SBACQMSUXWQERH-XPTSAGLGSA-N 0 0 377.309 3.953 20 10 GHCDRN Cc1cc(C)n(CCCNC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)n1 ZINC000915889507 888548426 /nfs/dbraw/zinc/54/84/26/888548426.db2.gz FFFHHMAXKDYGLM-UHFFFAOYSA-N 0 0 393.535 3.839 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2csc(-c3cnn(C)c3)n2)cc1 ZINC000916114906 888742982 /nfs/dbraw/zinc/74/29/82/888742982.db2.gz PPWQDJPBEVORAH-UHFFFAOYSA-N 0 0 383.521 3.662 20 10 GHCDRN Cc1cc(C(=O)NCC(=O)NCc2ccco2)c(C)n1-c1cccc(C(C)C)c1 ZINC000916134191 888749036 /nfs/dbraw/zinc/74/90/36/888749036.db2.gz FBPWWDSIMFYEOW-UHFFFAOYSA-N 0 0 393.487 3.857 20 10 GHCDRN COc1ccc(/C=C2/SC(=S)N(c3cccnc3)C2=O)c(OC)c1OC ZINC000916139992 888760829 /nfs/dbraw/zinc/76/08/29/888760829.db2.gz MOTSYBYTHIPZIS-NTEUORMPSA-N 0 0 388.470 3.513 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1csc(-c2cnn(C)c2)n1 ZINC000916147039 888767117 /nfs/dbraw/zinc/76/71/17/888767117.db2.gz PQWZEEGOBZNUPO-UHFFFAOYSA-N 0 0 383.521 3.660 20 10 GHCDRN C[C@H]1C[C@@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCS1 ZINC000916244241 888867188 /nfs/dbraw/zinc/86/71/88/888867188.db2.gz MCWGNGVUZZNWDV-ZFWWWQNUSA-N 0 0 399.507 3.840 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)NCc2ccc(NC(C)=O)cc2)cc1 ZINC000916247810 888869702 /nfs/dbraw/zinc/86/97/02/888869702.db2.gz FAVLUGOEDMNCKH-UHFFFAOYSA-N 0 0 382.508 3.833 20 10 GHCDRN O=C([C@H]1SCCc2ccccc21)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000153936282 888897631 /nfs/dbraw/zinc/89/76/31/888897631.db2.gz DTZRQAMRCSERGF-NQIIRXRSSA-N 0 0 383.513 3.930 20 10 GHCDRN CCOC(=O)c1scnc1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O ZINC000794931747 888939306 /nfs/dbraw/zinc/93/93/06/888939306.db2.gz POUBTBPLTUPGMY-GHXNOFRVSA-N 0 0 394.474 3.865 20 10 GHCDRN C[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1cc(Br)cc(F)c1[O-] ZINC000866565705 888939320 /nfs/dbraw/zinc/93/93/20/888939320.db2.gz PPPVYMQZHZNDIO-SSDOTTSWSA-N 0 0 378.192 3.816 20 10 GHCDRN COC(=O)c1ccc(Cl)c(/C=C2/SC(=S)N(c3cccnc3)C2=O)c1 ZINC000794931809 888941533 /nfs/dbraw/zinc/94/15/33/888941533.db2.gz PSJSMVOHDAIENS-RIYZIHGNSA-N 0 0 390.873 3.927 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(OCC(=O)N(C)C)c2)cc1 ZINC000916459456 889021514 /nfs/dbraw/zinc/02/15/14/889021514.db2.gz ILZISEUMQJEKHY-UHFFFAOYSA-N 0 0 391.471 3.813 20 10 GHCDRN CC(C)([NH2+]Cc1cc(Br)ccc1O)c1cn(-c2ccccc2)nn1 ZINC000154017461 889048265 /nfs/dbraw/zinc/04/82/65/889048265.db2.gz KJQLBLRCWLQYIS-UHFFFAOYSA-N 0 0 387.281 3.760 20 10 GHCDRN Cn1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)c(-c2cccs2)n1 ZINC000154043685 889102795 /nfs/dbraw/zinc/10/27/95/889102795.db2.gz JQBAURHPPCDBDH-UHFFFAOYSA-N 0 0 398.557 3.632 20 10 GHCDRN CCc1sc(-c2nnc(CN3CCN(c4ccc(OC)cc4)CC3)o2)cc1C ZINC000916568395 889144758 /nfs/dbraw/zinc/14/47/58/889144758.db2.gz WHFOLICQLSMGNX-UHFFFAOYSA-N 0 0 398.532 4.000 20 10 GHCDRN O=C(c1nc(Cl)ccc1Cl)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000154069136 889161680 /nfs/dbraw/zinc/16/16/80/889161680.db2.gz BTIVGAGFTADMSN-CYBMUJFWSA-N 0 0 381.259 3.915 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2cc(=O)[nH]c3cc(F)ccc32)cc1F ZINC000121838107 889165982 /nfs/dbraw/zinc/16/59/82/889165982.db2.gz LOIMSTNQWMOERT-UHFFFAOYSA-N 0 0 385.414 3.583 20 10 GHCDRN Nc1ccc(Cc2nc(C(=O)N[C@@H]3CC=CC[C@H]3C(F)(F)F)cs2)cc1 ZINC000868025972 889263242 /nfs/dbraw/zinc/26/32/42/889263242.db2.gz FYFMYDHSNQHHAQ-ZIAGYGMSSA-N 0 0 381.423 3.943 20 10 GHCDRN COC(=O)c1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000916662972 889290476 /nfs/dbraw/zinc/29/04/76/889290476.db2.gz WLYYVHOUKIHDJU-PXNMLYILSA-N 0 0 399.449 3.608 20 10 GHCDRN CCCNC(=O)c1cccc(NC(=O)NCc2ccc(N(CC)CC)cc2)c1 ZINC000916680457 889311637 /nfs/dbraw/zinc/31/16/37/889311637.db2.gz HDSQVIVLEBCKJX-UHFFFAOYSA-N 0 0 382.508 3.994 20 10 GHCDRN C[C@H](NC(=O)N1CC(C)(C)[C@@H]1c1ccco1)c1ccc(N2CCOCC2)cc1 ZINC000868148790 889320073 /nfs/dbraw/zinc/32/00/73/889320073.db2.gz KXDSWJJGQGQOFR-JXFKEZNVSA-N 0 0 383.492 3.970 20 10 GHCDRN C[C@@H](NC(=O)N[C@H](CF)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000868148450 889320635 /nfs/dbraw/zinc/32/06/35/889320635.db2.gz HBIGIYVKUGTKHC-FOIQADDNSA-N 0 0 389.446 3.733 20 10 GHCDRN O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1ccsn1 ZINC001132745100 889424535 /nfs/dbraw/zinc/42/45/35/889424535.db2.gz NHKKWICYZOVOHH-XFXZXTDPSA-N 0 0 393.490 3.512 20 10 GHCDRN COc1ccc(N2CC[NH+](CCCNc3nc4cccc(C)c4o3)CC2)cc1 ZINC001184658602 913347409 /nfs/dbraw/zinc/34/74/09/913347409.db2.gz DWMCCSQMXWMOAJ-UHFFFAOYSA-N 0 0 380.492 3.769 20 10 GHCDRN CCNC(=O)COc1ccc(CN2CCCCc3cc(OC)ccc32)cc1OC ZINC000811508415 889699548 /nfs/dbraw/zinc/69/95/48/889699548.db2.gz OZTVZVMQQRJJRE-UHFFFAOYSA-N 0 0 398.503 3.562 20 10 GHCDRN C[C@@H](NC(=O)NCc1nc(C(F)(F)F)n2c1CCCC2)c1ccccc1O ZINC000869102546 889763264 /nfs/dbraw/zinc/76/32/64/889763264.db2.gz KNDYTFHOXHYLCN-LLVKDONJSA-N 0 0 382.386 3.504 20 10 GHCDRN CC(C)(CC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(F)cc1 ZINC000869294697 889871600 /nfs/dbraw/zinc/87/16/00/889871600.db2.gz DOFUNQABLPLBHS-UHFFFAOYSA-N 0 0 384.495 3.771 20 10 GHCDRN O=C(Nc1ccc(F)cn1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000122631632 889974315 /nfs/dbraw/zinc/97/43/15/889974315.db2.gz GZQYYDVKVYWJCW-ZDUSSCGKSA-N 0 0 380.370 3.613 20 10 GHCDRN Cc1c(CO)cc([N+](=O)[O-])c(NCc2c(O)ccc3c2CCCC3)c1[N+](=O)[O-] ZINC000811808485 889992560 /nfs/dbraw/zinc/99/25/60/889992560.db2.gz KNLAUYUNIQKIRS-UHFFFAOYSA-N 0 0 387.392 3.500 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000811955166 890157361 /nfs/dbraw/zinc/15/73/61/890157361.db2.gz OKBYBGWSGPEIOF-JOCHJYFZSA-N 0 0 393.531 3.954 20 10 GHCDRN Cc1ccc(-n2cc(C(=O)NCCc3ccc(O)c(O)c3)c(C(C)(C)C)n2)cc1 ZINC000122913768 890193746 /nfs/dbraw/zinc/19/37/46/890193746.db2.gz VUDDWDVNUBDWOQ-UHFFFAOYSA-N 0 0 393.487 3.862 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)NC3(C(F)F)CCCC3)cc2F)C[C@H](C)O1 ZINC000812009312 890197703 /nfs/dbraw/zinc/19/77/03/890197703.db2.gz NVZCIUSEWGRHQU-OKILXGFUSA-N 0 0 399.457 3.816 20 10 GHCDRN COc1ccc2c(c1)C1(CC1)CN(C(=O)NCc1ccc(N(C)C)cc1C)C2 ZINC000812048103 890259456 /nfs/dbraw/zinc/25/94/56/890259456.db2.gz NAKYTPLRBJVANA-UHFFFAOYSA-N 0 0 379.504 3.827 20 10 GHCDRN CC[C@@]1(CNC(=O)NCCCSc2nccs2)OCCc2ccccc21 ZINC000812154369 890342369 /nfs/dbraw/zinc/34/23/69/890342369.db2.gz RGTNAQZCENVHCA-IBGZPJMESA-N 0 0 391.562 3.803 20 10 GHCDRN COC[C@@H](NC(=O)NCCCSc1nccs1)c1cccc(Cl)c1 ZINC000812153923 890376854 /nfs/dbraw/zinc/37/68/54/890376854.db2.gz MCJUKUDJHIDIER-CQSZACIVSA-N 0 0 385.942 3.966 20 10 GHCDRN CCOCCCn1c(-c2ccccc2F)nnc1N(C)Cc1ccccc1O ZINC000812188950 890397149 /nfs/dbraw/zinc/39/71/49/890397149.db2.gz OUZHCSNZEAFMFE-UHFFFAOYSA-N 0 0 384.455 3.853 20 10 GHCDRN CN(Cc1nc(-c2cccs2)no1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000287642053 913462467 /nfs/dbraw/zinc/46/24/67/913462467.db2.gz UMYZAJIGGLOZMW-UHFFFAOYSA-N 0 0 397.504 3.522 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc(-c2cccnc2)n1Cc1cccs1 ZINC000812360852 890566122 /nfs/dbraw/zinc/56/61/22/890566122.db2.gz WOGSNXUAOSBATQ-UHFFFAOYSA-N 0 0 377.473 3.792 20 10 GHCDRN Cc1cccc(CNS(=O)(=O)c2ccc(Br)cc2Cl)c1O ZINC001184824819 913464518 /nfs/dbraw/zinc/46/45/18/913464518.db2.gz QRDWGZTWFKWZBA-UHFFFAOYSA-N 0 0 390.686 3.595 20 10 GHCDRN Cc1ccc(-c2nnc(N(C)Cc3ccccc3O)n2C[C@@H]2CCCCO2)o1 ZINC000812431904 890622166 /nfs/dbraw/zinc/62/21/66/890622166.db2.gz SVRCFZGGWLDNCU-KRWDZBQOSA-N 0 0 382.464 3.758 20 10 GHCDRN CCOCC(C)(C)CNC(=O)N(CC)Cc1cc(Br)ccc1O ZINC000812435677 890629430 /nfs/dbraw/zinc/62/94/30/890629430.db2.gz QQYUYINKNLYNJD-UHFFFAOYSA-N 0 0 387.318 3.749 20 10 GHCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)N1CC[C@H]2CSC[C@H]2C1 ZINC000888583353 890924447 /nfs/dbraw/zinc/92/44/47/890924447.db2.gz FJUVSYJGEHZVIR-LSDHHAIUSA-N 0 0 379.489 3.613 20 10 GHCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccc(N2CCCNC2=O)cc1 ZINC000812801418 890996631 /nfs/dbraw/zinc/99/66/31/890996631.db2.gz UCCNTGNASIXZHO-GFCCVEGCSA-N 0 0 377.847 3.955 20 10 GHCDRN COc1cc(N(C)Cc2ccn(-c3c(F)cccc3F)n2)cc(OC)c1OC ZINC000154272978 891029519 /nfs/dbraw/zinc/02/95/19/891029519.db2.gz CVISRMZHQCDCTB-UHFFFAOYSA-N 0 0 389.402 3.813 20 10 GHCDRN COC(=O)/C=C\c1ccc(N(C)Cc2ccn(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000917090568 891089540 /nfs/dbraw/zinc/08/95/40/891089540.db2.gz YPAUJLWEVMGFNO-LUAWRHEFSA-N 0 0 392.415 3.603 20 10 GHCDRN COC(=O)c1cc2nc[nH]c2c(NCc2cc(Cl)c3cccnc3c2O)c1 ZINC001168522805 891103916 /nfs/dbraw/zinc/10/39/16/891103916.db2.gz JNVMSVXVLGHJOQ-UHFFFAOYSA-N 0 0 382.807 3.869 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cn(C)nc1C1CC1 ZINC000812997967 891197169 /nfs/dbraw/zinc/19/71/69/891197169.db2.gz JFKYUQQDZQVIAT-UHFFFAOYSA-N 0 0 393.285 3.820 20 10 GHCDRN COc1cc(C)cc(CN2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1O ZINC000813125500 891308864 /nfs/dbraw/zinc/30/88/64/891308864.db2.gz NVDMYXPEMFXSAP-UHFFFAOYSA-N 0 0 398.547 3.570 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCN(c2ccccc2F)C1 ZINC000813207188 891363476 /nfs/dbraw/zinc/36/34/76/891363476.db2.gz FGOQSKPOJIFUFI-QGZVFWFLSA-N 0 0 385.483 3.979 20 10 GHCDRN CC[C@H](O)CN(Cc1ccccc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000179175020 891558208 /nfs/dbraw/zinc/55/82/08/891558208.db2.gz PVUROBYHUDTQJI-QFIPXVFZSA-N 0 0 381.520 3.770 20 10 GHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2CCc3cccnc32)cc1 ZINC000813398974 891574050 /nfs/dbraw/zinc/57/40/50/891574050.db2.gz HCBMDDMVVSVIGR-QGZVFWFLSA-N 0 0 377.410 3.769 20 10 GHCDRN COc1cc(NC(=O)NCc2ccc(N(C)C)c(F)c2)ccc1OC(F)F ZINC000825685832 891731504 /nfs/dbraw/zinc/73/15/04/891731504.db2.gz NDXDHNOXMQPUFD-UHFFFAOYSA-N 0 0 383.370 3.823 20 10 GHCDRN CN(C)c1ccc(CNC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)cc1 ZINC000124622995 891750668 /nfs/dbraw/zinc/75/06/68/891750668.db2.gz CFXVTCJCPWMAQW-MRXNPFEDSA-N 0 0 382.291 3.592 20 10 GHCDRN CN(C)c1ccc(CNC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)cc1 ZINC000124622800 891751168 /nfs/dbraw/zinc/75/11/68/891751168.db2.gz 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DZJKJOAHBWSHHP-UHFFFAOYSA-N 0 0 395.528 3.950 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3c[nH]c(=O)c([N+](=O)[O-])c3)n2)cc1 ZINC001212843961 903682263 /nfs/dbraw/zinc/68/22/63/903682263.db2.gz GIYIEHDCUYWBEF-UHFFFAOYSA-N 0 0 377.360 3.820 20 10 GHCDRN Nc1ccc(N=Nc2ccc(Br)cn2)c(NC(=O)c2c[nH]cn2)c1 ZINC001147252973 903733248 /nfs/dbraw/zinc/73/32/48/903733248.db2.gz RDXQRWNZZHGMEP-GHVJWSGMSA-N 0 0 386.213 3.817 20 10 GHCDRN CC(C)c1cc(C(=O)N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)no1 ZINC001147481760 903812702 /nfs/dbraw/zinc/81/27/02/903812702.db2.gz MTLIBLIDVDXQHD-UHFFFAOYSA-N 0 0 383.370 3.659 20 10 GHCDRN CC(C)n1ncc2cc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cnc21 ZINC000265401246 903865735 /nfs/dbraw/zinc/86/57/35/903865735.db2.gz KQBVTEICGCNXAX-LJQANCHMSA-N 0 0 394.475 3.539 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)CN(C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000302745929 903927265 /nfs/dbraw/zinc/92/72/65/903927265.db2.gz GCQPUDTYBSEKNO-UHFFFAOYSA-N 0 0 393.453 3.862 20 10 GHCDRN O=C(Nc1ccnn1Cc1cccc(C(F)(F)F)c1)c1cccc(O)c1O ZINC001148211946 904007644 /nfs/dbraw/zinc/00/76/44/904007644.db2.gz DPNNWECHFPTSEY-UHFFFAOYSA-N 0 0 377.322 3.614 20 10 GHCDRN Cc1ccnc(NC(=O)c2ccc(C)c(NC(=O)c3cccc(O)c3O)c2)c1 ZINC001148219393 904010368 /nfs/dbraw/zinc/01/03/68/904010368.db2.gz XJYUKAFTCKDXSF-UHFFFAOYSA-N 0 0 377.400 3.614 20 10 GHCDRN CNC(=O)c1cccc(Oc2ccc(NC(=O)c3cccc(O)c3O)cc2)c1 ZINC001148219418 904010508 /nfs/dbraw/zinc/01/05/08/904010508.db2.gz ZIGFGTSJAREPGK-UHFFFAOYSA-N 0 0 378.384 3.502 20 10 GHCDRN COc1ccc(N(Cc2ccco2)Cc2noc(C3CCOCC3)n2)cc1F ZINC000150870094 904036087 /nfs/dbraw/zinc/03/60/87/904036087.db2.gz GJONIZVFGXUKJZ-UHFFFAOYSA-N 0 0 387.411 3.911 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000103631231 904047439 /nfs/dbraw/zinc/04/74/39/904047439.db2.gz CWLQGPCNFOIHKF-OAHLLOKOSA-N 0 0 390.439 3.884 20 10 GHCDRN COCc1ccc(C(=O)N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC001148439403 904065917 /nfs/dbraw/zinc/06/59/17/904065917.db2.gz NADYNVDXHMQRAG-UHFFFAOYSA-N 0 0 394.393 3.694 20 10 GHCDRN CCCN(Cc1nc2cc(S(=O)(=O)CC)ccc2o1)Cc1ccccc1O ZINC000151158962 904078001 /nfs/dbraw/zinc/07/80/01/904078001.db2.gz CPDOEVKXJICIDZ-UHFFFAOYSA-N 0 0 388.489 3.739 20 10 GHCDRN Cc1cc(CC(=O)N[C@@H](CO)c2ccc(F)cc2F)c(C)n1-c1ccccc1 ZINC001148516121 904089369 /nfs/dbraw/zinc/08/93/69/904089369.db2.gz DAWBGSOGUBDTJY-NRFANRHFSA-N 0 0 384.426 3.765 20 10 GHCDRN Cc1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1C(=O)NC(C)C ZINC000151552617 904154562 /nfs/dbraw/zinc/15/45/62/904154562.db2.gz BKQWVBFSJXWPTN-UHFFFAOYSA-N 0 0 392.503 3.831 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@H](c3nnc(C)[nH]3)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000839884562 904186809 /nfs/dbraw/zinc/18/68/09/904186809.db2.gz LNBRLEGNVKAEOZ-SFHVURJKSA-N 0 0 377.492 3.767 20 10 GHCDRN CCOc1ccc(CNC(=O)NCc2ccc(N3CCCC3)cc2)cc1OC ZINC000048883318 904251714 /nfs/dbraw/zinc/25/17/14/904251714.db2.gz NKSFYSMMYJVWFO-UHFFFAOYSA-N 0 0 383.492 3.694 20 10 GHCDRN C[C@@H](NC(=O)c1cc(COc2ccccc2F)on1)c1ccc(N(C)C)cc1 ZINC000772998137 904338797 /nfs/dbraw/zinc/33/87/97/904338797.db2.gz IPKWSABRHAOOFB-CQSZACIVSA-N 0 0 383.423 3.950 20 10 GHCDRN Cc1nc(COc2ccccc2C(=O)N[C@H](C)c2ccc(N(C)C)cc2)no1 ZINC000773004723 904361198 /nfs/dbraw/zinc/36/11/98/904361198.db2.gz ACECMTAVZQDMJQ-CQSZACIVSA-N 0 0 380.448 3.514 20 10 GHCDRN CCCn1c2ccccc2n(CCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1=O ZINC000773016805 904377332 /nfs/dbraw/zinc/37/73/32/904377332.db2.gz BKLSTMUAKWTOOY-QGZVFWFLSA-N 0 0 394.519 3.547 20 10 GHCDRN C[C@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000773019356 904379990 /nfs/dbraw/zinc/37/99/90/904379990.db2.gz KXDWCRZUVVDPEC-HKUYNNGSSA-N 0 0 394.519 3.874 20 10 GHCDRN C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(N(C)C)cc1 ZINC000773019875 904380587 /nfs/dbraw/zinc/38/05/87/904380587.db2.gz QVAZZHVOBKYNFS-GOEBONIOSA-N 0 0 385.895 3.636 20 10 GHCDRN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773021863 904382436 /nfs/dbraw/zinc/38/24/36/904382436.db2.gz UQWSVRDQHXNHDP-ZHRRBRCNSA-N 0 0 377.488 3.894 20 10 GHCDRN C[C@@H](NCc1cn(-c2ccccc2)nn1)c1ccc(N2CCOCC2)cc1Cl ZINC000773034913 904391258 /nfs/dbraw/zinc/39/12/58/904391258.db2.gz JBVNZCNTAMVIAF-MRXNPFEDSA-N 0 0 397.910 3.608 20 10 GHCDRN CC(C)c1ncc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1 ZINC000773034767 904392036 /nfs/dbraw/zinc/39/20/36/904392036.db2.gz GDQYWHTZIPCKFG-KBPBESRZSA-N 0 0 391.512 3.949 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)Nc3ccccc3-c3ncco3)C2)cc1 ZINC000889011421 904410184 /nfs/dbraw/zinc/41/01/84/904410184.db2.gz UBTSEBJOIPASDD-MRXNPFEDSA-N 0 0 392.459 3.998 20 10 GHCDRN C[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccc(N(C)C)cc1 ZINC000773088856 904419370 /nfs/dbraw/zinc/41/93/70/904419370.db2.gz PPEWAIOOPDTVHL-JTQLQIEISA-N 0 0 389.340 3.616 20 10 GHCDRN C[C@@H](NS(=O)(=O)c1ccccc1OC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773089789 904421173 /nfs/dbraw/zinc/42/11/73/904421173.db2.gz VUNPKQINRMWPGM-GFCCVEGCSA-N 0 0 388.411 3.691 20 10 GHCDRN COc1c([O-])c(C[NH2+][C@@H](C)[C@H](OC)c2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000775055310 914814817 /nfs/dbraw/zinc/81/48/17/914814817.db2.gz BVPCYHUOJJUHFY-GTNSWQLSSA-N 0 0 380.828 3.828 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3nn(C(C)C)cc3Cl)C2)cc1 ZINC000889564316 904648750 /nfs/dbraw/zinc/64/87/50/904648750.db2.gz SGXPUNQUPGTCJO-ZDUSSCGKSA-N 0 0 377.876 3.526 20 10 GHCDRN CC[C@H](C)Oc1cccc(S(=O)(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC001186818942 914832122 /nfs/dbraw/zinc/83/21/22/914832122.db2.gz LMNYUJVOOCYDQF-INIZCTEOSA-N 0 0 376.522 3.717 20 10 GHCDRN COc1ccc(C[C@@H](C)NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000773283893 904679886 /nfs/dbraw/zinc/67/98/86/904679886.db2.gz HRPLILJZRPCAHP-CVEARBPZSA-N 0 0 385.508 3.761 20 10 GHCDRN C[C@H](NC(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000773290974 904684415 /nfs/dbraw/zinc/68/44/15/904684415.db2.gz KDLXDEKGDKQEKG-MAUKXSAKSA-N 0 0 390.528 3.512 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1csc2ccccc12 ZINC000779150636 904712015 /nfs/dbraw/zinc/71/20/15/904712015.db2.gz QGCOPNFGGXAMIP-UHFFFAOYSA-N 0 0 379.485 3.756 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)Nc2ncc(C(F)(F)F)cn2)c1 ZINC001186828796 914839888 /nfs/dbraw/zinc/83/98/88/914839888.db2.gz IIJAYCWFEFUMPD-UHFFFAOYSA-N 0 0 376.338 3.861 20 10 GHCDRN O=C(NCc1nsc2ccccc12)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000890298507 904983191 /nfs/dbraw/zinc/98/31/91/904983191.db2.gz LVJXXRWOHSPKIL-MRXNPFEDSA-N 0 0 397.500 3.893 20 10 GHCDRN Oc1ccccc1CN(Cc1nc(-c2ccccc2F)no1)C[C@@H]1CCCO1 ZINC000189106324 905030031 /nfs/dbraw/zinc/03/00/31/905030031.db2.gz HMFBIIYTBZLSGI-INIZCTEOSA-N 0 0 383.423 3.763 20 10 GHCDRN CNC(=O)c1cncc(/C=C/C(=O)N(C)c2ccc(Oc3ccccc3)cc2)c1 ZINC000303487175 914868943 /nfs/dbraw/zinc/86/89/43/914868943.db2.gz PJSZZNQSLPVSAS-MDWZMJQESA-N 0 0 387.439 3.910 20 10 GHCDRN CC1(C)CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 ZINC000173670749 905089692 /nfs/dbraw/zinc/08/96/92/905089692.db2.gz ZBMYJTVKIVVELE-KAMYIIQDSA-N 0 0 394.587 3.988 20 10 GHCDRN COC(=O)[C@@H](NC1CCN(c2ccc(OC)cc2)CC1)c1ccc(C)c(C)c1 ZINC000779179157 905152667 /nfs/dbraw/zinc/15/26/67/905152667.db2.gz BECRPOUFDSJMCH-QFIPXVFZSA-N 0 0 382.504 3.785 20 10 GHCDRN Cc1ccc(C(C)(C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000174442669 905273592 /nfs/dbraw/zinc/27/35/92/905273592.db2.gz VLKGANQLGOPZDE-UHFFFAOYSA-N 0 0 384.495 3.689 20 10 GHCDRN O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000779195994 905309476 /nfs/dbraw/zinc/30/94/76/905309476.db2.gz MQTGTHSUKSXUBY-INIZCTEOSA-N 0 0 378.394 3.560 20 10 GHCDRN COCCN(CC(=O)Nc1c(C)cc(C)cc1C)c1ccc(OC)c(OC)c1 ZINC000174798562 905351944 /nfs/dbraw/zinc/35/19/44/905351944.db2.gz CDCFRUSPTYIVJJ-UHFFFAOYSA-N 0 0 386.492 3.721 20 10 GHCDRN C[C@H](NC(=O)NCCc1nc(C(F)(F)F)cs1)c1ccc(N(C)C)cc1 ZINC000773343510 905420417 /nfs/dbraw/zinc/42/04/17/905420417.db2.gz ZHVQCJKYWQZRMP-NSHDSACASA-N 0 0 386.443 3.831 20 10 GHCDRN CC(C)NC(=O)CSc1ccccc1C(=O)N1CCS[C@H]2CCCC[C@H]21 ZINC000175417870 905560503 /nfs/dbraw/zinc/56/05/03/905560503.db2.gz AFQSUFUVGYRVKK-AEFFLSMTSA-N 0 0 392.590 3.804 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@H]2CCO)c(C)n1-c1ccc(Br)cc1 ZINC000779283149 906011809 /nfs/dbraw/zinc/01/18/09/906011809.db2.gz FHNWEJWFQUIWND-INIZCTEOSA-N 0 0 391.309 3.844 20 10 GHCDRN Cc1ccc(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1C(=O)N(C)C ZINC000180003124 906655369 /nfs/dbraw/zinc/65/53/69/906655369.db2.gz LOQNFFFUVQQRDW-MRXNPFEDSA-N 0 0 385.483 3.846 20 10 GHCDRN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180954822 906880930 /nfs/dbraw/zinc/88/09/30/906880930.db2.gz XJNNUVCWJXPMTA-XBXARRHUSA-N 0 0 394.471 3.930 20 10 GHCDRN CS(=O)(=O)CCOc1ccc(Cl)cc1NCc1cccc(Cl)c1O ZINC000181058901 906907536 /nfs/dbraw/zinc/90/75/36/906907536.db2.gz XMFGDMMVFFNYOM-UHFFFAOYSA-N 0 0 390.288 3.735 20 10 GHCDRN CN(c1ccc(C(=O)c2ccccc2)cc1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001174223263 906919343 /nfs/dbraw/zinc/91/93/43/906919343.db2.gz KPEVRVRXRNWOKB-UHFFFAOYSA-N 0 0 394.496 3.509 20 10 GHCDRN Cc1cc(C(=O)N2CCC(CC(=O)N(C)C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000181165040 906930104 /nfs/dbraw/zinc/93/01/04/906930104.db2.gz GLYAFMFUMGWNRJ-UHFFFAOYSA-N 0 0 385.483 3.564 20 10 GHCDRN CN(C)S(=O)(=O)c1ccc(Nc2ccccc2Cc2ccc(N)cc2)cc1 ZINC001174259608 906951726 /nfs/dbraw/zinc/95/17/26/906951726.db2.gz UPRFPVUNSGALGX-UHFFFAOYSA-N 0 0 381.501 3.854 20 10 GHCDRN COc1cccc2[nH]cc(CC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c21 ZINC000182632972 907242881 /nfs/dbraw/zinc/24/28/81/907242881.db2.gz RQYMHMOSCHITMZ-SFHVURJKSA-N 0 0 394.471 3.632 20 10 GHCDRN C[C@@H](Nc1cccc(C(=O)NC2CC2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000182664387 907247753 /nfs/dbraw/zinc/24/77/53/907247753.db2.gz MGPPIGTWPXMBFF-OAHLLOKOSA-N 0 0 383.467 3.728 20 10 GHCDRN C[C@@H](NC(=O)NCCOc1cccc(C(F)(F)F)n1)c1ccc(N(C)C)cc1 ZINC000773413329 907247855 /nfs/dbraw/zinc/24/78/55/907247855.db2.gz HOSWAKFMUCZGIW-CYBMUJFWSA-N 0 0 396.413 3.606 20 10 GHCDRN CCN(Cc1ccccc1)c1ccc(CN[C@@H](C)c2nnnn2C2CC2)cc1 ZINC000191831745 907271291 /nfs/dbraw/zinc/27/12/91/907271291.db2.gz BFCIYKSJKOIWHZ-KRWDZBQOSA-N 0 0 376.508 3.885 20 10 GHCDRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000773429374 907294291 /nfs/dbraw/zinc/29/42/91/907294291.db2.gz MYNMAHIOZHEQLD-APPDUMDISA-N 0 0 395.253 3.929 20 10 GHCDRN Cc1ccc(C(=O)C2CCN(C(=O)C=Cc3ccc(O)c(O)c3)CC2)c(C)c1 ZINC000779498113 907317081 /nfs/dbraw/zinc/31/70/81/907317081.db2.gz HZEUKIGJQCGZSO-YVMONPNESA-N 0 0 379.456 3.849 20 10 GHCDRN COc1ccc(N[C@H](C)c2ccc(N(C)C)cc2)cc1OCC(=O)NC1CC1 ZINC000183128530 907333414 /nfs/dbraw/zinc/33/34/14/907333414.db2.gz RANBHRNEXLCLQJ-OAHLLOKOSA-N 0 0 383.492 3.592 20 10 GHCDRN COc1ccc(F)c(Nc2c(CC(N)=O)cccc2C(=O)c2ccccc2)c1F ZINC001175121457 907390188 /nfs/dbraw/zinc/39/01/88/907390188.db2.gz QBIYDWFWDXELAS-UHFFFAOYSA-N 0 0 396.393 3.976 20 10 GHCDRN Cc1ccc(S(=O)(=O)N(c2ccc(N)cc2)c2cc(CO)ccc2F)cc1 ZINC001175131305 907394742 /nfs/dbraw/zinc/39/47/42/907394742.db2.gz VEOFTYBVGQSHAL-UHFFFAOYSA-N 0 0 386.448 3.736 20 10 GHCDRN Cc1nc2ccccc2n1CCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000773475183 907431894 /nfs/dbraw/zinc/43/18/94/907431894.db2.gz MLGZSVKUZDCKCI-IBGZPJMESA-N 0 0 393.487 3.648 20 10 GHCDRN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779541346 907540565 /nfs/dbraw/zinc/54/05/65/907540565.db2.gz FLRIBGXYMIGMRQ-AUXFESMGSA-N 0 0 388.261 3.847 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)Cn1ccc2sccc2c1=O ZINC001175694749 907670797 /nfs/dbraw/zinc/67/07/97/907670797.db2.gz ZLPQKHAQWAVJST-HXUWFJFHSA-N 0 0 396.512 3.825 20 10 GHCDRN COc1cc(OC)cc([C@H](N[C@@H](C)c2ccc(C)cc2O)c2nccn2C)c1 ZINC000184960441 907687340 /nfs/dbraw/zinc/68/73/40/907687340.db2.gz WWECEFMGBNTRMV-BTYIYWSLSA-N 0 0 381.476 3.892 20 10 GHCDRN C[C@H]([NH2+]Cc1cnn(C)c1)c1cc(Br)cc(Br)c1[O-] ZINC000185113028 907714660 /nfs/dbraw/zinc/71/46/60/907714660.db2.gz FUUZARPXUOEKIQ-QMMMGPOBSA-N 0 0 389.091 3.502 20 10 GHCDRN COc1cc(C)c(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1F ZINC000186748215 907979570 /nfs/dbraw/zinc/97/95/70/907979570.db2.gz JOYYINVNPQTBAA-UHFFFAOYSA-N 0 0 387.455 3.643 20 10 GHCDRN CCCOc1ccc(N(C)S(=O)(=O)CCc2ccc(N)cc2)cc1Cl ZINC001176306958 908049422 /nfs/dbraw/zinc/04/94/22/908049422.db2.gz KLSXRQNGJVBGJH-UHFFFAOYSA-N 0 0 382.913 3.720 20 10 GHCDRN COCCCOc1cccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000079829255 908077730 /nfs/dbraw/zinc/07/77/30/908077730.db2.gz UAGJYXXGSLZRBZ-UHFFFAOYSA-N 0 0 375.444 3.629 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(c2cccc(Nc3cccc(O)c3O)c2)CC1 ZINC001176401599 908097076 /nfs/dbraw/zinc/09/70/76/908097076.db2.gz RUDVWTUSPLUCSO-UHFFFAOYSA-N 0 0 385.464 3.899 20 10 GHCDRN Nc1ccc2c(c1Nc1cnc(N3CCCCC3)nc1)C(=O)c1ccccc1C2=O ZINC001176508250 908147538 /nfs/dbraw/zinc/14/75/38/908147538.db2.gz OWUBTQIZFOSVJU-UHFFFAOYSA-N 0 0 399.454 3.568 20 10 GHCDRN C[C@@H](CC(=O)NCc1cc(O)ccc1O)c1ccc(F)c(Br)c1 ZINC001176755292 908255748 /nfs/dbraw/zinc/25/57/48/908255748.db2.gz OJBIWUWTHAPZBH-JTQLQIEISA-N 0 0 382.229 3.809 20 10 GHCDRN C[C@H](NC(=O)N(C)Cc1ccc(C(=O)NC2CC2)cc1)c1ccc(N(C)C)cc1 ZINC000773609533 908400251 /nfs/dbraw/zinc/40/02/51/908400251.db2.gz AJHQCAYZWGOPPA-INIZCTEOSA-N 0 0 394.519 3.547 20 10 GHCDRN C[C@@H](NC(=O)NC[C@H](O)c1ccccc1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773612936 908433512 /nfs/dbraw/zinc/43/35/12/908433512.db2.gz OBKBCFQGXQRWHB-ACJLOTCBSA-N 0 0 395.425 3.865 20 10 GHCDRN C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccccc2F)C1)c1ccc(N(C)C)cc1 ZINC000773613441 908439492 /nfs/dbraw/zinc/43/94/92/908439492.db2.gz WHNRVJJTPQJAJT-SJLPKXTDSA-N 0 0 384.499 3.921 20 10 GHCDRN C[C@H](NC(=O)N1CCC([C@@H](O)c2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000773624275 908456959 /nfs/dbraw/zinc/45/69/59/908456959.db2.gz MHPXNTGHUBWFSD-JTSKRJEESA-N 0 0 381.520 3.969 20 10 GHCDRN C[C@H](NC(=O)N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc(N(C)C)cc1 ZINC000773629735 908486561 /nfs/dbraw/zinc/48/65/61/908486561.db2.gz SISMJOWNDZGXAS-SCLBCKFNSA-N 0 0 395.425 3.865 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ncc(C(C)C)s2)cc1F ZINC000190463443 908489906 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CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1 ZINC001181166315 910619091 /nfs/dbraw/zinc/61/90/91/910619091.db2.gz GXSVGLSVMQEVNB-JOCHJYFZSA-N 0 0 395.547 3.946 20 10 GHCDRN COc1cccc([C@@H]2C[C@H]2C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000246780678 910633421 /nfs/dbraw/zinc/63/34/21/910633421.db2.gz WGIOHTUKQZWATN-QHAWAJNXSA-N 0 0 381.472 3.712 20 10 GHCDRN CCOC(=O)[C@H](Cc1cccc(Cl)c1)NCc1cc(C)cc(OC)c1O ZINC001181264844 910664556 /nfs/dbraw/zinc/66/45/56/910664556.db2.gz AVJRGDJDCXIRAR-KRWDZBQOSA-N 0 0 377.868 3.627 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC[C@H](C(=O)NC(C)C)C1 ZINC001149057160 921602090 /nfs/dbraw/zinc/60/20/90/921602090.db2.gz OKICVBWSKHTIIH-IBGZPJMESA-N 0 0 381.520 3.779 20 10 GHCDRN C[C@H]1CCCN(C(=O)OC[C@H]2CCCC[N@@H+]2Cc2ccc(F)c(F)c2[O-])C1 ZINC001181622217 910885421 /nfs/dbraw/zinc/88/54/21/910885421.db2.gz RPQKDWDXGJGLOS-GOEBONIOSA-N 0 0 382.451 3.893 20 10 GHCDRN O=C(CCc1cccc(OC(F)(F)F)c1)N1CCCc2cc(O)c(O)cc2C1 ZINC001181683870 910894425 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GHCDRN Cc1cc(C(=O)Cn2cnc3snc(C)c3c2=O)c(C)n1-c1cccc(C)c1 ZINC000752879456 929072091 /nfs/dbraw/zinc/07/20/91/929072091.db2.gz JOUGLGFRWNJIBT-UHFFFAOYSA-N 0 0 392.484 3.760 20 10 GHCDRN Cc1ccsc1[C@@H](CO)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000752968746 929126290 /nfs/dbraw/zinc/12/62/90/929126290.db2.gz QZMUPNYYVVSQLA-LJQANCHMSA-N 0 0 387.549 3.826 20 10 GHCDRN CS[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C(C)(C)C ZINC000753283078 929285011 /nfs/dbraw/zinc/28/50/11/929285011.db2.gz KDFVHRSGMAXDRY-AEFFLSMTSA-N 0 0 380.554 3.861 20 10 GHCDRN COCC[C@@H](Cc1ccco1)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000753281638 929285062 /nfs/dbraw/zinc/28/50/62/929285062.db2.gz YZFHZFSZMNBBEV-IBGZPJMESA-N 0 0 387.524 3.913 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H](C)Oc1ccc(F)c(F)c1 ZINC001276284629 929345369 /nfs/dbraw/zinc/34/53/69/929345369.db2.gz VKYRDFZHQMKONV-LSDHHAIUSA-N 0 0 376.447 3.854 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H](C)Oc1ccc(F)c(F)c1 ZINC001276284627 929345532 /nfs/dbraw/zinc/34/55/32/929345532.db2.gz VKYRDFZHQMKONV-GJZGRUSLSA-N 0 0 376.447 3.854 20 10 GHCDRN COCCCOc1cccc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC001276284609 929345655 /nfs/dbraw/zinc/34/56/55/929345655.db2.gz VJHBXHZYUCGJTH-GOSISDBHSA-N 0 0 384.520 3.837 20 10 GHCDRN CC(C)(C)S(=O)(=O)c1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)cn1 ZINC000467746048 929364941 /nfs/dbraw/zinc/36/49/41/929364941.db2.gz ZWDPTCYHQXJKDL-UHFFFAOYSA-N 0 0 396.516 3.824 20 10 GHCDRN CO[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1(C)C ZINC000753558208 929413089 /nfs/dbraw/zinc/41/30/89/929413089.db2.gz GKVGFHPBGIJGQZ-ZWKOTPCHSA-N 0 0 380.448 3.970 20 10 GHCDRN CCCOc1c(Cl)cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1OC ZINC000753644379 929457886 /nfs/dbraw/zinc/45/78/86/929457886.db2.gz LJIOFVQIZNJKAV-LBPRGKRZSA-N 0 0 393.867 3.910 20 10 GHCDRN CCOc1cc2c(cc1/C=C/C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)O[C@H](C)C2 ZINC000753645537 929460143 /nfs/dbraw/zinc/46/01/43/929460143.db2.gz VOVGSBIIZYSAOW-OCESRQBRSA-N 0 0 397.471 3.581 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccccc3OC3CCC3)CC2)cc1F ZINC000753729409 929503797 /nfs/dbraw/zinc/50/37/97/929503797.db2.gz AESJPSZICIZMFA-UHFFFAOYSA-N 0 0 384.451 3.728 20 10 GHCDRN COc1cccc2cc(C(=O)N3CCN(c4ccc(OC)c(F)c4)CC3)oc21 ZINC000753741493 929510478 /nfs/dbraw/zinc/51/04/78/929510478.db2.gz HGXYICJJEVZVHK-UHFFFAOYSA-N 0 0 384.407 3.552 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1cnn(Cc2ccccc2)c(=O)c1 ZINC000753813719 929548470 /nfs/dbraw/zinc/54/84/70/929548470.db2.gz DYKCNRYKPBKHGG-UHFFFAOYSA-N 0 0 388.515 3.918 20 10 GHCDRN O=C1OCC[C@@H]1CCN(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000753844765 929559766 /nfs/dbraw/zinc/55/97/66/929559766.db2.gz FHGGFXSTPJHAON-OCTSTCLRSA-N 0 0 379.456 3.931 20 10 GHCDRN COc1ccc(N2CCN(C(=O)N[C@H]3CCc4cc(C)ccc43)CC2)cc1F ZINC000753861391 929567931 /nfs/dbraw/zinc/56/79/31/929567931.db2.gz IKSZUENTBBXIIJ-FQEVSTJZSA-N 0 0 383.467 3.662 20 10 GHCDRN CC(C)C[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000757633563 929752504 /nfs/dbraw/zinc/75/25/04/929752504.db2.gz BVLSMGDDHMQMNM-SFHVURJKSA-N 0 0 377.504 3.773 20 10 GHCDRN C[C@H]([NH2+]C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000757655377 929760381 /nfs/dbraw/zinc/76/03/81/929760381.db2.gz DTVZDDBSNUEHSY-VBKZILBWSA-N 0 0 393.484 3.988 20 10 GHCDRN COC(=O)c1ccc(C)c(NC(=O)CN(C)c2ccc(OC)c(Cl)c2)c1 ZINC000757857243 929827637 /nfs/dbraw/zinc/82/76/37/929827637.db2.gz NKXTYLIHIAQGLT-UHFFFAOYSA-N 0 0 376.840 3.519 20 10 GHCDRN COc1ccc(N(C)CC(=O)NCc2ccc(OC(F)F)cc2)cc1Cl ZINC000757857928 929828515 /nfs/dbraw/zinc/82/85/15/929828515.db2.gz YOAZHPJSVQODSU-UHFFFAOYSA-N 0 0 384.810 3.703 20 10 GHCDRN CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3oncc3C)c2C)cc1 ZINC000758344495 930017614 /nfs/dbraw/zinc/01/76/14/930017614.db2.gz LWAHGTJVFLAAOF-UHFFFAOYSA-N 0 0 382.416 3.829 20 10 GHCDRN COC(=O)/C=C/c1ccc(N2CC(Cc3ccc(F)c(F)c3)C2)c([N+](=O)[O-])c1 ZINC000758393111 930030981 /nfs/dbraw/zinc/03/09/81/930030981.db2.gz FAPXVHQIMUDRFE-QPJJXVBHSA-N 0 0 388.370 3.738 20 10 GHCDRN COC1CCC(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000758511285 930066322 /nfs/dbraw/zinc/06/63/22/930066322.db2.gz OILFMGWXDAQBRV-GIOYIUAESA-N 0 0 392.515 3.651 20 10 GHCDRN [O-]c1c(Br)cccc1C[NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000758531462 930073394 /nfs/dbraw/zinc/07/33/94/930073394.db2.gz ZRLIWVPTZOPWCK-YJBOKZPZSA-N 0 0 380.257 3.550 20 10 GHCDRN Cn1cc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)c2ccccc2c1=O ZINC000758635665 930112294 /nfs/dbraw/zinc/11/22/94/930112294.db2.gz VWMQAYSEMPXFGP-UHFFFAOYSA-N 0 0 395.422 3.501 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)NC[C@]3(C)CCCS3)cc2F)C[C@H](C)O1 ZINC000758701578 930138477 /nfs/dbraw/zinc/13/84/77/930138477.db2.gz NBFJFJDTAKLQJL-MDOVXXIYSA-N 0 0 395.544 3.524 20 10 GHCDRN COc1cc2c(cc1/C=C1/SC(=S)N(C(C3CC3)C3CC3)C1=O)OCO2 ZINC000758823390 930182147 /nfs/dbraw/zinc/18/21/47/930182147.db2.gz ZXEUCEVNMPWODC-FRKPEAEDSA-N 0 0 389.498 3.814 20 10 GHCDRN CCO[C@@H]1C[C@@H](NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)[C@@]12CCCO2 ZINC000759206036 930309187 /nfs/dbraw/zinc/30/91/87/930309187.db2.gz RNAKUUZXLJAGMC-XPNTWCBSSA-N 0 0 398.503 3.559 20 10 GHCDRN CCO[C@@H]1C[C@H](NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)[C@@]12CCCO2 ZINC000759212702 930311228 /nfs/dbraw/zinc/31/12/28/930311228.db2.gz WNBZJBHOTZGEHR-VWPQPMDRSA-N 0 0 386.467 3.690 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)CC(C)(C)O3)cc1 ZINC000759500276 930387164 /nfs/dbraw/zinc/38/71/64/930387164.db2.gz OHWHZVQCYBHAMK-UHFFFAOYSA-N 0 0 395.503 3.501 20 10 GHCDRN CCOC(=O)c1cc(NC(=O)N(C)Cc2ccc(N(CC)CC)cc2)cn1C ZINC000759502168 930387733 /nfs/dbraw/zinc/38/77/33/930387733.db2.gz BXDCVOFDWQLRMH-UHFFFAOYSA-N 0 0 386.496 3.712 20 10 GHCDRN CCOc1ccc(CNC(=O)NCCCSc2nccs2)cc1OC ZINC000759551102 930400406 /nfs/dbraw/zinc/40/04/06/930400406.db2.gz RZDLGPLLYLKNEK-UHFFFAOYSA-N 0 0 381.523 3.532 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCc1ccc(OCc2cccnc2)cc1 ZINC000759578352 930410508 /nfs/dbraw/zinc/41/05/08/930410508.db2.gz IIRRTCHQIIMOPX-UXBLZVDNSA-N 0 0 377.396 3.828 20 10 GHCDRN C[C@H](NC(=O)NCCCSc1nccs1)[C@H]1Oc2ccccc2[C@H]1C ZINC000759586538 930414536 /nfs/dbraw/zinc/41/45/36/930414536.db2.gz QGPNDGHFPUSZDA-WWGRRREGSA-N 0 0 377.535 3.878 20 10 GHCDRN CC(C)C[C@H](NC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000759590951 930416088 /nfs/dbraw/zinc/41/60/88/930416088.db2.gz BOOHSAMKHYVRLK-CKDFRHGISA-N 0 0 383.444 3.558 20 10 GHCDRN CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)C=Cc2ccc(O)c(O)c2)C(C)C)c1 ZINC000759594032 930417629 /nfs/dbraw/zinc/41/76/29/930417629.db2.gz DQUDXNPHXXNNAE-FLJMFPIGSA-N 0 0 397.427 3.520 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)Nc1nc2c(s1)CCCC2 ZINC000796640482 930490364 /nfs/dbraw/zinc/49/03/64/930490364.db2.gz OEDHFCVBNRMFMV-UHFFFAOYSA-N 0 0 382.283 3.812 20 10 GHCDRN Cc1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)c(O)c1O ZINC000780906682 930634759 /nfs/dbraw/zinc/63/47/59/930634759.db2.gz GEOAJXSHAUPYLO-CYBMUJFWSA-N 0 0 377.824 3.870 20 10 GHCDRN Cc1ccc(C(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c(O)c1O ZINC000780915934 930638482 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GHCDRN Cc1cc(Br)c([O-])c(C[NH2+]CCCN(C(=O)C2CCC2)C2CC2)c1 ZINC000781629575 930915681 /nfs/dbraw/zinc/91/56/81/930915681.db2.gz JUQFWPBWBVBOOP-UHFFFAOYSA-N 0 0 395.341 3.734 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCNC(=O)NC1CCCCC1 ZINC001137519066 930942897 /nfs/dbraw/zinc/94/28/97/930942897.db2.gz KEDWGFTVMYLRPE-UHFFFAOYSA-N 0 0 396.535 3.764 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)c1 ZINC000781911568 931025156 /nfs/dbraw/zinc/02/51/56/931025156.db2.gz NWVVURGOZIEFTC-JOCHJYFZSA-N 0 0 382.323 3.833 20 10 GHCDRN C[C@H](NC(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F)c1ccccc1O ZINC000827964363 931256632 /nfs/dbraw/zinc/25/66/32/931256632.db2.gz LYTLHPFUGHDSRQ-ZDUSSCGKSA-N 0 0 391.464 3.739 20 10 GHCDRN O=C(Nc1cnc2c(c1)CCCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000782660284 931294077 /nfs/dbraw/zinc/29/40/77/931294077.db2.gz CQDPSNJHUGJQKP-IBGZPJMESA-N 0 0 381.476 3.879 20 10 GHCDRN O=C(NCC1C[C@H]2CC[C@@H](C1)S2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000924299708 931314286 /nfs/dbraw/zinc/31/42/86/931314286.db2.gz FIZIOFYHVKZNSX-SCDLOJPASA-N 0 0 390.549 3.757 20 10 GHCDRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N(C)Cc1ccccc1O ZINC000782725863 931316792 /nfs/dbraw/zinc/31/67/92/931316792.db2.gz MTBXMEUDVBYECP-UHFFFAOYSA-N 0 0 377.466 3.776 20 10 GHCDRN O=C(COC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1)c1ccc(O)c(O)c1 ZINC000783086551 931406773 /nfs/dbraw/zinc/40/67/73/931406773.db2.gz ZWDRIRBYMVEVDK-UHFFFAOYSA-N 0 0 395.289 3.517 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000783316742 931518401 /nfs/dbraw/zinc/51/84/01/931518401.db2.gz KYBUEUYQBKAIAM-UHFFFAOYSA-N 0 0 391.874 3.921 20 10 GHCDRN O=C(COC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1ccc(O)c(O)c1 ZINC000783419571 931542647 /nfs/dbraw/zinc/54/26/47/931542647.db2.gz ACKYOUVJAADXPX-UHFFFAOYSA-N 0 0 380.318 3.574 20 10 GHCDRN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783743000 931639779 /nfs/dbraw/zinc/63/97/79/931639779.db2.gz FJIKDIAXYLEUOV-LLVKDONJSA-N 0 0 382.334 3.721 20 10 GHCDRN COc1ccc(N(C)C[C@@H](O)COc2ccccc2C(F)(F)F)cc1OC ZINC000784137840 931794650 /nfs/dbraw/zinc/79/46/50/931794650.db2.gz NUUGIQMYYPVWEG-CQSZACIVSA-N 0 0 385.382 3.599 20 10 GHCDRN COC(=O)COc1ccc(N(C)Cc2ccccc2OCC(F)(F)F)cc1 ZINC000784557733 931937186 /nfs/dbraw/zinc/93/71/86/931937186.db2.gz UANXADWRVZKKKA-UHFFFAOYSA-N 0 0 383.366 3.816 20 10 GHCDRN COC(=O)COc1ccc(N(C)Cc2cccc(OCC(F)(F)F)c2)cc1 ZINC000784564151 931940048 /nfs/dbraw/zinc/94/00/48/931940048.db2.gz OMYHUSMRJRHRPR-UHFFFAOYSA-N 0 0 383.366 3.816 20 10 GHCDRN O=C(COC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1ccc(O)c(O)c1 ZINC000784850962 932013020 /nfs/dbraw/zinc/01/30/20/932013020.db2.gz UNWRENHSOQTQKI-UHFFFAOYSA-N 0 0 398.308 3.713 20 10 GHCDRN CC[C@@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000796686184 932030103 /nfs/dbraw/zinc/03/01/03/932030103.db2.gz YJJCSUVJYHOIKF-HXUWFJFHSA-N 0 0 385.483 3.675 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnn(Cc2ccccc2)c1Cl ZINC000796803157 932073232 /nfs/dbraw/zinc/07/32/32/932073232.db2.gz PTDSXYLAURPQLD-UHFFFAOYSA-N 0 0 396.878 3.690 20 10 GHCDRN O=C1[C@@H]2CC[C@@H](c3ccccc3)N2C(=O)N1Cc1ccc(N2CCCC2)cc1 ZINC000797136106 932197625 /nfs/dbraw/zinc/19/76/25/932197625.db2.gz OVSMDXAPKMMWLY-SFTDATJTSA-N 0 0 375.472 3.955 20 10 GHCDRN COc1ccc(CNC(=O)C(=O)Nc2ccc(-c3ccccc3)c(C)c2)c(O)c1 ZINC000797389220 932269110 /nfs/dbraw/zinc/26/91/10/932269110.db2.gz VSKXPQJQBCDMQF-UHFFFAOYSA-N 0 0 390.439 3.631 20 10 GHCDRN CC1=C[C@H](C)CN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000797432909 932282281 /nfs/dbraw/zinc/28/22/81/932282281.db2.gz YATCTMZMRAFEFU-XIRDDKMYSA-N 0 0 375.488 3.547 20 10 GHCDRN C[C@@H]1C[C@]2(CCO1)CN(Cc1ccc(N(C)C)cc1C(F)(F)F)C[C@H](C)O2 ZINC000797605239 932341067 /nfs/dbraw/zinc/34/10/67/932341067.db2.gz OAPGDWFJIQIIQO-ZRGWGRIASA-N 0 0 386.458 3.930 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3cn(C)c4ccc(F)cc34)CC2)cc1 ZINC000797618353 932345939 /nfs/dbraw/zinc/34/59/39/932345939.db2.gz GGQOCPNNWQAQNF-UHFFFAOYSA-N 0 0 381.451 3.725 20 10 GHCDRN Cc1ccnc(Oc2ccc(NC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc2)n1 ZINC000797633183 932350670 /nfs/dbraw/zinc/35/06/70/932350670.db2.gz GIVNWIBRWSQFMB-CQSZACIVSA-N 0 0 394.431 3.741 20 10 GHCDRN COc1cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc(OC)c1C(C)C ZINC000797642708 932353621 /nfs/dbraw/zinc/35/36/21/932353621.db2.gz LCLCKTZBDBCIPG-CYBMUJFWSA-N 0 0 388.464 3.991 20 10 GHCDRN COc1ccc(CNC(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)c(O)c1 ZINC000797648029 932355322 /nfs/dbraw/zinc/35/53/22/932355322.db2.gz ULJBFSQLZHYMEF-HNNXBMFYSA-N 0 0 390.308 3.782 20 10 GHCDRN O=C(CO[C@@H]1CCCc2ccccc21)NCc1cccc(Br)c1O ZINC000797759897 932398789 /nfs/dbraw/zinc/39/87/89/932398789.db2.gz QAKPEKDRGMRPFC-QGZVFWFLSA-N 0 0 390.277 3.865 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000797766740 932400688 /nfs/dbraw/zinc/40/06/88/932400688.db2.gz PUYLOKFGFMWJKY-WMZHIEFXSA-N 0 0 382.504 3.813 20 10 GHCDRN O=C(c1cccc(O)c1O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000797770041 932402221 /nfs/dbraw/zinc/40/22/21/932402221.db2.gz JLZURJSSFXOIET-AWEZNQCLSA-N 0 0 380.213 3.977 20 10 GHCDRN Cc1cc(C(=O)N2CCC(Nc3ccccn3)CC2)c(C)n1-c1ccccn1 ZINC000927098155 932410551 /nfs/dbraw/zinc/41/05/51/932410551.db2.gz DEBUWVZLTZSVPI-UHFFFAOYSA-N 0 0 375.476 3.601 20 10 GHCDRN COc1cc(NS(=O)(=O)c2c(C)cc(Br)cc2C)ccc1O ZINC000797819334 932416324 /nfs/dbraw/zinc/41/63/24/932416324.db2.gz GJRPGKLJZLDQQB-UHFFFAOYSA-N 0 0 386.267 3.581 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)C[C@H]3CCC(F)(F)C3)cc2F)C[C@H](C)O1 ZINC000797833798 932423714 /nfs/dbraw/zinc/42/37/14/932423714.db2.gz KFCXLCLVZRKUGX-QLFBSQMISA-N 0 0 384.442 3.881 20 10 GHCDRN O=C(/C=C/Sc1cc(F)ccc1F)NCc1ccc(N2CCOCC2)cc1 ZINC000797839078 932425725 /nfs/dbraw/zinc/42/57/25/932425725.db2.gz RYANJYXWMKRBAZ-KPKJPENVSA-N 0 0 390.455 3.724 20 10 GHCDRN COc1ccccc1CCNC(=O)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000798001970 932486425 /nfs/dbraw/zinc/48/64/25/932486425.db2.gz VCIBQCITTFXUKD-GFCCVEGCSA-N 0 0 397.302 3.717 20 10 GHCDRN C[C@@H](NC(=O)N[C@H]1C[C@H](c2ccccc2)C1)c1ccc(N2CCOCC2)cc1 ZINC000798061373 932514760 /nfs/dbraw/zinc/51/47/60/932514760.db2.gz ZAHIMKOAGIBIHF-DUXKGJEZSA-N 0 0 379.504 3.830 20 10 GHCDRN O=C(N[C@H]1CCCc2cccnc21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000927384251 932534084 /nfs/dbraw/zinc/53/40/84/932534084.db2.gz CCFGJAZJSRNIGW-OALUTQOASA-N 0 0 381.476 3.555 20 10 GHCDRN O=C(N[C@@H](C1CC1)[C@@H]1CCCOC1)N(Cc1ccco1)Cc1ccccc1O ZINC000927444099 932563272 /nfs/dbraw/zinc/56/32/72/932563272.db2.gz WXNNJFXEXUKKCR-NQIIRXRSSA-N 0 0 384.476 3.902 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(C)cc1O ZINC000798248695 932575854 /nfs/dbraw/zinc/57/58/54/932575854.db2.gz JMILLIFDLBOELR-UHFFFAOYSA-N 0 0 384.476 3.703 20 10 GHCDRN COc1ccc(O)c(CNc2cnc3c(c2)C[C@H](NC(=O)OC(C)(C)C)CC3)c1 ZINC000798277262 932590313 /nfs/dbraw/zinc/59/03/13/932590313.db2.gz OQXKHYJAVNOUPU-MRXNPFEDSA-N 0 0 399.491 3.790 20 10 GHCDRN C[C@H]1CCN(S(=O)(=O)c2cccc3nsnc32)c2ccccc2S1 ZINC000798424801 932641783 /nfs/dbraw/zinc/64/17/83/932641783.db2.gz QVVZTFGONPBCMP-NSHDSACASA-N 0 0 377.516 3.771 20 10 GHCDRN COc1ccccc1-n1ncc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1C ZINC000798500826 932675526 /nfs/dbraw/zinc/67/55/26/932675526.db2.gz BGCWPNBETOWEMQ-HNNXBMFYSA-N 0 0 378.476 3.746 20 10 GHCDRN O=C1CCN1c1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000798502576 932677434 /nfs/dbraw/zinc/67/74/34/932677434.db2.gz RBHZXNCHCQCVDZ-UHFFFAOYSA-N 0 0 380.448 3.934 20 10 GHCDRN [O-]c1c(Br)cccc1C[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000798504409 932678947 /nfs/dbraw/zinc/67/89/47/932678947.db2.gz HCFYGGRYIQPYQW-UHFFFAOYSA-N 0 0 391.187 3.781 20 10 GHCDRN C[C@H](OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)C(=O)C1CC1 ZINC000798566590 932706427 /nfs/dbraw/zinc/70/64/27/932706427.db2.gz MJVSOYBFBXHHTN-JTQLQIEISA-N 0 0 382.799 3.640 20 10 GHCDRN C[C@@]1(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCC(=O)NC1 ZINC000798781676 932773974 /nfs/dbraw/zinc/77/39/74/932773974.db2.gz UQMXQNXVTKAJJH-OAQYLSRUSA-N 0 0 394.431 3.500 20 10 GHCDRN O=C1NC2(CCCCC2)C(=O)N1[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000777665921 932778955 /nfs/dbraw/zinc/77/89/55/932778955.db2.gz FPMQRWNKLUDRBP-OAHLLOKOSA-N 0 0 393.434 3.512 20 10 GHCDRN COc1ccc(CN2C(=O)/C(=C\c3ccc4c(c3)OCCO4)SC2=S)cc1 ZINC000799203715 932914191 /nfs/dbraw/zinc/91/41/91/932914191.db2.gz HQCASZYHZQEBOG-WOJGMQOQSA-N 0 0 399.493 3.868 20 10 GHCDRN COc1ccc2occ(C(=O)N3CCN(c4ccc(OC)c(F)c4)CC3)c2c1 ZINC000799680451 933089061 /nfs/dbraw/zinc/08/90/61/933089061.db2.gz OHAKJNDJFXLDQX-UHFFFAOYSA-N 0 0 384.407 3.552 20 10 GHCDRN C[C@H]([NH2+][C@H](CCO)Cc1ccccc1)c1cc(Br)c(F)cc1[O-] ZINC000799730384 933101263 /nfs/dbraw/zinc/10/12/63/933101263.db2.gz FBBMMGMQUUQUKC-GXTWGEPZSA-N 0 0 382.273 3.938 20 10 GHCDRN O=C(NOC1CCCCC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000777717853 933149168 /nfs/dbraw/zinc/14/91/68/933149168.db2.gz RABIQAZDLSBRKH-AWEZNQCLSA-N 0 0 383.439 3.820 20 10 GHCDRN Cc1noc([C@H](C)NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n1 ZINC000799941008 933180515 /nfs/dbraw/zinc/18/05/15/933180515.db2.gz IMJBRGNJFNIKEI-OLZOCXBDSA-N 0 0 391.903 3.828 20 10 GHCDRN C[C@@H](CCNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)[S@@](C)=O ZINC000799955427 933187374 /nfs/dbraw/zinc/18/73/74/933187374.db2.gz LOUPSJVGTLNWTR-CFAZGSRYSA-N 0 0 399.988 3.533 20 10 GHCDRN COC(=O)[C@H](NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)c1cccnc1 ZINC000799980706 933199284 /nfs/dbraw/zinc/19/92/84/933199284.db2.gz REDFYTLOTLQMIL-FOIQADDNSA-N 0 0 387.911 3.975 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)NCCOCC(F)F)cc2Cl)C1 ZINC000799981959 933200768 /nfs/dbraw/zinc/20/07/68/933200768.db2.gz ZSSGAGIYJZUQGN-CYBMUJFWSA-N 0 0 389.874 3.657 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N(C)C[C@@H]3CCCO3)cc2Cl)C1 ZINC000799994048 933206445 /nfs/dbraw/zinc/20/64/45/933206445.db2.gz HSHSHOQWQIEXHE-WBVHZDCISA-N 0 0 379.932 3.897 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)N3CCOCC[C@H]3C)cc2Cl)C1 ZINC000799995311 933207370 /nfs/dbraw/zinc/20/73/70/933207370.db2.gz XWCATOWVAAQCHQ-JKSUJKDBSA-N 0 0 379.932 3.897 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H](C)C(=O)NC(C)(C)C)c1 ZINC001115906716 933239424 /nfs/dbraw/zinc/23/94/24/933239424.db2.gz COKZGIIHOYECDP-CQSZACIVSA-N 0 0 375.900 3.781 20 10 GHCDRN Cc1cccc(-c2noc(SCC(=O)NCc3ccc(N(C)C)cc3)n2)c1 ZINC000777791028 933485822 /nfs/dbraw/zinc/48/58/22/933485822.db2.gz LKBUGZBWHPLHFP-UHFFFAOYSA-N 0 0 382.489 3.520 20 10 GHCDRN COc1cc(F)cc(F)c1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC001116354182 933504339 /nfs/dbraw/zinc/50/43/39/933504339.db2.gz VYQZJODQCIZPLV-UHFFFAOYSA-N 0 0 397.443 3.813 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3nc4c(s3)C[C@@H](C)CC4)CC2)cc1 ZINC001116387971 933528672 /nfs/dbraw/zinc/52/86/72/933528672.db2.gz TXTRYOSOERYDSL-AWEZNQCLSA-N 0 0 386.521 3.631 20 10 GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(Cl)cc1F ZINC000777826880 933621579 /nfs/dbraw/zinc/62/15/79/933621579.db2.gz UPIXBEXNPOKOCL-UHFFFAOYSA-N 0 0 386.206 3.654 20 10 GHCDRN Cc1ccc(O)c2c1[C@H](C)C[C@H]2Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 ZINC001116567825 933637797 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GHCDRN Cc1cc(CNC(=O)N[C@@H]2CCCc3c2cnn3C)c(C)n1-c1ccccc1 ZINC001118858256 934269351 /nfs/dbraw/zinc/26/93/51/934269351.db2.gz FMLMRBYXIVXYEW-HXUWFJFHSA-N 0 0 377.492 3.704 20 10 GHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H](F)Cc1ccccc1 ZINC000777989710 934510035 /nfs/dbraw/zinc/51/00/35/934510035.db2.gz QGRFEQYBXPVAFW-VQIMIIECSA-N 0 0 392.421 3.954 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cnn(C2CCC2)c1 ZINC000931581732 934627557 /nfs/dbraw/zinc/62/75/57/934627557.db2.gz QLUNMTJBTVMQRB-UHFFFAOYSA-N 0 0 390.434 3.608 20 10 GHCDRN CCn1c([C@@H](O)[C@@H](C)c2ccccc2F)nnc1N(C)Cc1ccccc1O ZINC001121741293 934752797 /nfs/dbraw/zinc/75/27/97/934752797.db2.gz ASDRECDQRGTUND-LIRRHRJNSA-N 0 0 384.455 3.616 20 10 GHCDRN CCn1c(C2Sc3ncccc3C2=O)nnc1N(C)Cc1c(C)noc1C ZINC001121957039 934792277 /nfs/dbraw/zinc/79/22/77/934792277.db2.gz KPQBCWGWIULWMJ-UHFFFAOYSA-N 0 0 384.465 3.522 20 10 GHCDRN CCn1c(C2Sc3ncccc3C2=O)nnc1N1CCC[C@@]2(CC2(F)F)C1 ZINC001122036126 934805442 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C[C@@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756591281 1023725317 /nfs/dbraw/zinc/72/53/17/1023725317.db2.gz GQLBYSOQPVSIPP-IYXRBSQSSA-N 0 0 379.457 3.787 20 10 GHCDRN C[C@H]([NH2+]CCCNc1ncccn1)c1cc(Br)cc(Cl)c1[O-] ZINC000756640575 1023749443 /nfs/dbraw/zinc/74/94/43/1023749443.db2.gz CRIVFGDEEHATAS-JTQLQIEISA-N 0 0 385.693 3.751 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1cc(Br)c(F)cc1[O-] ZINC000756659942 1023760206 /nfs/dbraw/zinc/76/02/06/1023760206.db2.gz HTIVJJLJHYQODH-ZBEGNZNMSA-N 0 0 393.256 3.750 20 10 GHCDRN COc1ccc(-c2csc(NC(=O)CN(C)c3ccc4c(c3)OCO4)n2)cc1 ZINC000756662986 1023762305 /nfs/dbraw/zinc/76/23/05/1023762305.db2.gz ZWTVRKAADDBRCQ-UHFFFAOYSA-N 0 0 397.456 3.622 20 10 GHCDRN C[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1cc(Br)cc(Cl)c1[O-] ZINC000756682611 1023772997 /nfs/dbraw/zinc/77/29/97/1023772997.db2.gz JJSQQIBLGBBCSD-SECBINFHSA-N 0 0 377.710 3.764 20 10 GHCDRN C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1[O-] ZINC000756757503 1023801706 /nfs/dbraw/zinc/80/17/06/1023801706.db2.gz CFTRUAILGDSJIL-TZMCWYRMSA-N 0 0 387.373 3.932 20 10 GHCDRN C[C@H]([NH2+][C@@H](C)[C@@H](O)Cc1ccccc1)c1cc(Br)c(F)cc1[O-] ZINC000756758868 1023802834 /nfs/dbraw/zinc/80/28/34/1023802834.db2.gz GWIVSMALWCIYRS-PRXAMGSTSA-N 0 0 382.273 3.937 20 10 GHCDRN COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1O)C2 ZINC000756775784 1023811271 /nfs/dbraw/zinc/81/12/71/1023811271.db2.gz SYAZHENFVBOSNA-BXUZGUMPSA-N 0 0 378.266 3.818 20 10 GHCDRN COc1ccc(OC(F)F)c(CNC(=O)N[C@H](C)c2cc(OC)ccc2O)c1 ZINC000756959540 1023886211 /nfs/dbraw/zinc/88/62/11/1023886211.db2.gz YCBLQDNSRBCGTO-LLVKDONJSA-N 0 0 396.390 3.571 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(Cc2cc(O)ccc2O)C[C@H]1Cc1ccccc1 ZINC001141155910 1023981940 /nfs/dbraw/zinc/98/19/40/1023981940.db2.gz ANSRAHUVCNEOSB-LJQANCHMSA-N 0 0 398.503 3.762 20 10 GHCDRN CO[C@H](CS(=O)(=O)N(Cc1ccccc1O)C1CCCC1)c1ccccc1 ZINC000830627795 1024028076 /nfs/dbraw/zinc/02/80/76/1024028076.db2.gz NECUSRQVQFHCLZ-OAQYLSRUSA-N 0 0 389.517 3.854 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1nnc(C2CCCC2)n1CC1CC1 ZINC000830796916 1024154009 /nfs/dbraw/zinc/15/40/09/1024154009.db2.gz HSCIPZGTGVWCAS-UHFFFAOYSA-N 0 0 395.551 3.819 20 10 GHCDRN CC[C@H](C)c1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CC1CC1 ZINC000830821526 1024167245 /nfs/dbraw/zinc/16/72/45/1024167245.db2.gz VLZRJJZJLJKMKL-KRWDZBQOSA-N 0 0 383.540 3.675 20 10 GHCDRN Oc1c(F)cccc1CN1CCc2c(c(COCC3CC3)nn2CC2CC2)C1 ZINC001138125126 1024169533 /nfs/dbraw/zinc/16/95/33/1024169533.db2.gz JGIRPELQVLCPSP-UHFFFAOYSA-N 0 0 385.483 3.623 20 10 GHCDRN Oc1c(F)cccc1CN1Cc2ncn(CC3CC3)c2[C@@H](COCC2CC2)C1 ZINC001138124842 1024169826 /nfs/dbraw/zinc/16/98/26/1024169826.db2.gz AHKQFINBMZHSIW-GOSISDBHSA-N 0 0 385.483 3.664 20 10 GHCDRN CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3cccc(F)c3[O-])CC2)c2ccccc21 ZINC001138127137 1024173783 /nfs/dbraw/zinc/17/37/83/1024173783.db2.gz PWBYBLICKBONMQ-QGZVFWFLSA-N 0 0 382.479 3.689 20 10 GHCDRN [O-]c1c(F)cccc1C[N@@H+]1CCO[C@]2(CCC[C@@H]2COCc2ccccn2)C1 ZINC001138127272 1024173908 /nfs/dbraw/zinc/17/39/08/1024173908.db2.gz VJVYLBIYRAIKDD-XMSQKQJNSA-N 0 0 386.467 3.514 20 10 GHCDRN CCOCC[N@H+](Cc1cccc(F)c1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001138130959 1024185966 /nfs/dbraw/zinc/18/59/66/1024185966.db2.gz MGNNSXVVUYCPLM-UHFFFAOYSA-N 0 0 396.503 3.769 20 10 GHCDRN COc1ccc(N2CCN(Cc3ccc(N4CCCCC4)o3)CC2)c(OC)c1 ZINC001138178795 1024312917 /nfs/dbraw/zinc/31/29/17/1024312917.db2.gz VTFYSDWIISQDOS-UHFFFAOYSA-N 0 0 385.508 3.609 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2c(C)noc2C)c(C)n1-c1ccc(Cl)cn1 ZINC000837349329 1024368082 /nfs/dbraw/zinc/36/80/82/1024368082.db2.gz WDKJNVXGDZMYIM-UHFFFAOYSA-N 0 0 387.823 3.787 20 10 GHCDRN CCN(CC)c1ccc(CN(C)c2nnc(-c3ncccn3)n2CC2CC2)cc1 ZINC000831150527 1024387833 /nfs/dbraw/zinc/38/78/33/1024387833.db2.gz MVZBGONCSROHGF-UHFFFAOYSA-N 0 0 391.523 3.628 20 10 GHCDRN Cc1cc(C(=O)COC(=O)CC2CCOCC2)c(C)n1-c1ccc(Cl)cn1 ZINC000837530434 1024529831 /nfs/dbraw/zinc/52/98/31/1024529831.db2.gz RJDFWJUYYXKROC-UHFFFAOYSA-N 0 0 390.867 3.685 20 10 GHCDRN CCc1ncsc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000837591509 1024570944 /nfs/dbraw/zinc/57/09/44/1024570944.db2.gz MZXOLMKZIQDEPJ-UHFFFAOYSA-N 0 0 387.436 3.687 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1coc2cc(F)ccc21 ZINC000837715159 1024658153 /nfs/dbraw/zinc/65/81/53/1024658153.db2.gz RHGDFQSBGODDSR-UHFFFAOYSA-N 0 0 390.361 3.617 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)NC3(C4(C)CC4)CC3)cc2F)C[C@H](C)O1 ZINC000837715039 1024658218 /nfs/dbraw/zinc/65/82/18/1024658218.db2.gz UKMNKFONHICUOQ-GASCZTMLSA-N 0 0 375.488 3.571 20 10 GHCDRN CCOC[C@@H]1CN(Cc2ccc3c(c2)CCCN3C)Cc2c1cnn2CC1CC1 ZINC001138355890 1024720950 /nfs/dbraw/zinc/72/09/50/1024720950.db2.gz XORUFMAKINWXMN-NRFANRHFSA-N 0 0 394.563 3.811 20 10 GHCDRN CCNC(=O)OC1CC[NH+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141374773 1024766881 /nfs/dbraw/zinc/76/68/81/1024766881.db2.gz PAIRSDAENIXVRL-UHFFFAOYSA-N 0 0 391.693 3.519 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CCC[C@@H](Oc2cnccn2)C1 ZINC001141377655 1024774653 /nfs/dbraw/zinc/77/46/53/1024774653.db2.gz XAYAQRGDDLDCTE-CYBMUJFWSA-N 0 0 398.688 3.642 20 10 GHCDRN CC[C@H](NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000838008739 1024875790 /nfs/dbraw/zinc/87/57/90/1024875790.db2.gz BMQYRXMGXNCMNW-IBGZPJMESA-N 0 0 389.446 3.752 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@H](C)CC(F)(F)F)c(C)n1-c1ccc(F)cn1 ZINC000838405398 1025118588 /nfs/dbraw/zinc/11/85/88/1025118588.db2.gz BJUPOZUDHVIQBK-SNVBAGLBSA-N 0 0 386.345 3.943 20 10 GHCDRN O=C(NCCCSc1nccs1)NCCc1cc(C(F)(F)F)ccn1 ZINC000838514163 1025185088 /nfs/dbraw/zinc/18/50/88/1025185088.db2.gz FYGCLGUVTHTZHW-UHFFFAOYSA-N 0 0 390.456 3.581 20 10 GHCDRN C[C@H](NC(=O)N(C)[C@H](c1ncc[nH]1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000838559661 1025209766 /nfs/dbraw/zinc/20/97/66/1025209766.db2.gz NHEWKIOGANMYIW-JXFKEZNVSA-N 0 0 377.492 3.968 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)N(C)CC(C)(C)CO)cc2Cl)C1 ZINC000838578858 1025219239 /nfs/dbraw/zinc/21/92/39/1025219239.db2.gz NYFBDLGSGJIUBT-HNNXBMFYSA-N 0 0 381.948 3.736 20 10 GHCDRN CC[C@H](COCC(F)(F)F)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000838638611 1025257582 /nfs/dbraw/zinc/25/75/82/1025257582.db2.gz ZRBAMTPDNFRNCK-OAHLLOKOSA-N 0 0 387.446 3.784 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(F)cc1SC ZINC000832194964 1025313603 /nfs/dbraw/zinc/31/36/03/1025313603.db2.gz CVOUJGOWQNYOOK-UHFFFAOYSA-N 0 0 389.496 3.601 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000838707171 1025313833 /nfs/dbraw/zinc/31/38/33/1025313833.db2.gz ZSKZNSAXWHKJQE-DLBZAZTESA-N 0 0 395.503 3.680 20 10 GHCDRN CC(C)(NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cccs1 ZINC000838746899 1025343036 /nfs/dbraw/zinc/34/30/36/1025343036.db2.gz LPVBEXJWKXGUCW-UHFFFAOYSA-N 0 0 395.475 3.597 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC001141538664 1025431572 /nfs/dbraw/zinc/43/15/72/1025431572.db2.gz TUSGTTOUIFTAOG-GOSISDBHSA-N 0 0 378.394 3.655 20 10 GHCDRN C[C@@H](NC(=O)c1nn(C(C)(C)C)cc1Br)c1ccc(N(C)C)cc1 ZINC000832430400 1025551249 /nfs/dbraw/zinc/55/12/49/1025551249.db2.gz CWVPTPOLXWOGME-GFCCVEGCSA-N 0 0 393.329 3.958 20 10 GHCDRN C[C@H]1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)CC[S@]1=O ZINC000839065226 1025554240 /nfs/dbraw/zinc/55/42/40/1025554240.db2.gz ZJINBWLHSLYVEQ-NPMXOYFQSA-N 0 0 399.398 3.782 20 10 GHCDRN O=[N+]([O-])c1ccc(Cl)cc1CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146490 1025642287 /nfs/dbraw/zinc/64/22/87/1025642287.db2.gz JUUZBPLLXXXAEW-UHFFFAOYSA-N 0 0 397.809 3.653 20 10 GHCDRN C[C@@H](NC(=O)Nc1ccc(F)cc1N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000839179881 1025689390 /nfs/dbraw/zinc/68/93/90/1025689390.db2.gz OIGXYKGQYNTLST-OAHLLOKOSA-N 0 0 386.471 3.611 20 10 GHCDRN CN(C[C@@H]1CC=CCC1)C(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000839211868 1025727887 /nfs/dbraw/zinc/72/78/87/1025727887.db2.gz GMQVMUBFZGHSLE-GOSISDBHSA-N 0 0 384.520 3.868 20 10 GHCDRN CC[C@@H](CN(CC)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000839367741 1025854218 /nfs/dbraw/zinc/85/42/18/1025854218.db2.gz DQASKGZVFBDQQR-FQEVSTJZSA-N 0 0 395.547 3.753 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+](C)Cc1ncccc1C(F)(F)F ZINC001139124476 1025937862 /nfs/dbraw/zinc/93/78/62/1025937862.db2.gz AUZYZORMFNKKNN-UHFFFAOYSA-N 0 0 378.350 3.853 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001139129395 1025941910 /nfs/dbraw/zinc/94/19/10/1025941910.db2.gz XXSDECLQRFPESJ-UHFFFAOYSA-N 0 0 392.499 3.903 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3cccc(O)c3)cc2F)C[C@@H](C)O1 ZINC000839548386 1026042873 /nfs/dbraw/zinc/04/28/73/1026042873.db2.gz AJVAZISJTJIGJU-XWYPRVOQSA-N 0 0 398.478 3.565 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc2cnccc2n1 ZINC000839627880 1026133218 /nfs/dbraw/zinc/13/32/18/1026133218.db2.gz IGCXZMJAIXGDIF-UHFFFAOYSA-N 0 0 398.413 3.630 20 10 GHCDRN CCOC(=O)[C@H](C)[C@H](C)NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000839648103 1026167421 /nfs/dbraw/zinc/16/74/21/1026167421.db2.gz JLOVLPBQQCULDA-CABCVRRESA-N 0 0 396.447 3.744 20 10 GHCDRN COC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001163488261 1026211433 /nfs/dbraw/zinc/21/14/33/1026211433.db2.gz XOCIQPDYXCGSRI-KRWDZBQOSA-N 0 0 385.420 3.834 20 10 GHCDRN COc1cc([N+](=O)[O-])c(N2CCC(CCC(=O)OC(C)(C)C)CC2)cc1OC ZINC001163695742 1026286388 /nfs/dbraw/zinc/28/63/88/1026286388.db2.gz GWDQTDDIFUJVQU-UHFFFAOYSA-N 0 0 394.468 3.950 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@H](N2CCCC2=O)CC1 ZINC000839896039 1026336024 /nfs/dbraw/zinc/33/60/24/1026336024.db2.gz LADAVDXZFKUPJW-KRWDZBQOSA-N 0 0 385.533 3.773 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000839912627 1026343349 /nfs/dbraw/zinc/34/33/49/1026343349.db2.gz GCTNSLQKBIJNSI-CABCVRRESA-N 0 0 397.544 3.855 20 10 GHCDRN Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c(Br)n1 ZINC000839918541 1026345589 /nfs/dbraw/zinc/34/55/89/1026345589.db2.gz BBOGRAOXHPICGH-AWEZNQCLSA-N 0 0 390.325 3.888 20 10 GHCDRN CCN(CC)C(=O)c1ccc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)cc1 ZINC000839917991 1026346720 /nfs/dbraw/zinc/34/67/20/1026346720.db2.gz INNKJNVLCNUBFZ-GOSISDBHSA-N 0 0 395.547 3.904 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cn(C)nc1-c1cccs1 ZINC000839921415 1026348262 /nfs/dbraw/zinc/34/82/62/1026348262.db2.gz ZAIDEEMFVWCFIZ-HNNXBMFYSA-N 0 0 382.533 3.884 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCn3ccnc32)c(C)n1-c1cccc(Br)c1 ZINC000833298972 1026396701 /nfs/dbraw/zinc/39/67/01/1026396701.db2.gz GARBCDBJIBMSMX-KRWDZBQOSA-N 0 0 399.292 3.928 20 10 GHCDRN CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3c(F)ccc(F)c3[O-])C[C@@H]21 ZINC001139682671 1026537811 /nfs/dbraw/zinc/53/78/11/1026537811.db2.gz AKHOCLVFCVRZDT-HZUJVAHNSA-N 0 0 387.474 3.798 20 10 GHCDRN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(Cc1cc(F)ccc1O)C2 ZINC001140055610 1026834991 /nfs/dbraw/zinc/83/49/91/1026834991.db2.gz NANQWJBFFLXJRG-UHFFFAOYSA-N 0 0 378.451 3.652 20 10 GHCDRN COC(=O)/C(=C\c1ccc(N(C)Cc2cccs2)cc1)CN1CCC(=O)CC1 ZINC000834438058 1026992079 /nfs/dbraw/zinc/99/20/79/1026992079.db2.gz FXNVGWPYCFXVQU-JXAWBTAJSA-N 0 0 398.528 3.606 20 10 GHCDRN CNc1cnn(CC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c(=O)c1Cl ZINC001166500213 1027016643 /nfs/dbraw/zinc/01/66/43/1027016643.db2.gz ARMRPGXURBKPPU-UHFFFAOYSA-N 0 0 398.894 3.846 20 10 GHCDRN CCc1nc(C)c(CN2CCN(c3ccc(OCc4cccnc4)cc3)CC2)[nH]1 ZINC001203254325 1027248346 /nfs/dbraw/zinc/24/83/46/1027248346.db2.gz SJGMSTLAVYSIBN-UHFFFAOYSA-N 0 0 391.519 3.577 20 10 GHCDRN COc1ccc(C(C)=O)cc1Nc1c(N)ccc2c1C(=O)c1ccccc1C2=O ZINC001210080377 1027335902 /nfs/dbraw/zinc/33/59/02/1027335902.db2.gz SKWFOAMVYJARDD-UHFFFAOYSA-N 0 0 386.407 3.999 20 10 GHCDRN CC[C@H](C)Oc1cccc(S(=O)(=O)N[C@H](C)c2cc(OC)ccc2O)c1 ZINC001210086093 1027336930 /nfs/dbraw/zinc/33/69/30/1027336930.db2.gz POUHNSUILBCCKW-UONOGXRCSA-N 0 0 379.478 3.618 20 10 GHCDRN FC(F)Oc1ccc(N2CCC(Nc3nc(C4CCOCC4)no3)CC2)cc1 ZINC000840255252 1027386448 /nfs/dbraw/zinc/38/64/48/1027386448.db2.gz ZXZTYJCYWGRJRI-UHFFFAOYSA-N 0 0 394.422 3.646 20 10 GHCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC001203580083 1027449293 /nfs/dbraw/zinc/44/92/93/1027449293.db2.gz HFECZUHQZJQTPJ-KDYLLFBJSA-N 0 0 384.220 3.573 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1)Cc1cc(Br)ccc1O ZINC001203636540 1027496194 /nfs/dbraw/zinc/49/61/94/1027496194.db2.gz WZELQZOIVUTWTI-UHFFFAOYSA-N 0 0 378.266 3.720 20 10 GHCDRN CS(=O)(=O)c1cccc(C2CCN(Cc3cc(Cl)ccc3O)CC2)c1 ZINC001203665811 1027518143 /nfs/dbraw/zinc/51/81/43/1027518143.db2.gz WEFTVBPXCOGCDQ-UHFFFAOYSA-N 0 0 379.909 3.829 20 10 GHCDRN CCOC(=O)[C@@H]1c2ccc(OC)cc2CCN1Cc1cc(Cl)ccc1O ZINC001203665496 1027519082 /nfs/dbraw/zinc/51/90/82/1027519082.db2.gz MJOKXFAXMXSFFY-IBGZPJMESA-N 0 0 375.852 3.717 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000840485655 1027570256 /nfs/dbraw/zinc/57/02/56/1027570256.db2.gz VURSCZUBIXEMLF-BULFRSBZSA-N 0 0 387.568 3.575 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000840486346 1027570722 /nfs/dbraw/zinc/57/07/22/1027570722.db2.gz ZNDUAHABLFZRIK-DZFGPLHGSA-N 0 0 385.552 3.735 20 10 GHCDRN CC(=O)Nc1cc(NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)ccc1F ZINC000840486553 1027571722 /nfs/dbraw/zinc/57/17/22/1027571722.db2.gz CBOBXSRQFOZOPF-CQSZACIVSA-N 0 0 386.471 3.911 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@H]2CCNC(=O)CC2)cc1 ZINC000840528963 1027601294 /nfs/dbraw/zinc/60/12/94/1027601294.db2.gz OJUFBBRRNFWDIR-OAHLLOKOSA-N 0 0 379.464 3.567 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O ZINC000840558504 1027615083 /nfs/dbraw/zinc/61/50/83/1027615083.db2.gz YTGDEOMYBKUTRD-LBPRGKRZSA-N 0 0 381.398 3.541 20 10 GHCDRN CCCCOc1ccc(N(C)S(=O)(=O)CCc2ccc(N)cc2)c(C)c1 ZINC001211284766 1027886890 /nfs/dbraw/zinc/88/68/90/1027886890.db2.gz MCMFALRWYOFCPV-UHFFFAOYSA-N 0 0 376.522 3.765 20 10 GHCDRN CC(=O)Nc1ccc(NC(=S)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cc1 ZINC000840870550 1027908557 /nfs/dbraw/zinc/90/85/57/1027908557.db2.gz SLHUIOUJYBVWGS-HNNXBMFYSA-N 0 0 384.549 3.937 20 10 GHCDRN CC(=O)NC1(c2noc(-c3csc(Cc4ccc(N)cc4)n3)n2)CCCCC1 ZINC000840993589 1028027321 /nfs/dbraw/zinc/02/73/21/1028027321.db2.gz DVWAZQJHHQUEPK-UHFFFAOYSA-N 0 0 397.504 3.662 20 10 GHCDRN Cc1ccc(SC2(CNC(=O)C(=O)Nc3ccc(N)cc3)CCCC2)cc1 ZINC000841066342 1028086369 /nfs/dbraw/zinc/08/63/69/1028086369.db2.gz SLEANFQWGGZWHR-UHFFFAOYSA-N 0 0 383.517 3.737 20 10 GHCDRN Cc1ccc(CNC(=O)C(=O)Nc2ccc(N)cc2)c(O[C@@H](C)CC(C)C)c1 ZINC000841069537 1028088191 /nfs/dbraw/zinc/08/81/91/1028088191.db2.gz YDVQGEQVMPQLOI-INIZCTEOSA-N 0 0 383.492 3.646 20 10 GHCDRN Nc1ccc(NC(=O)C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)cc1 ZINC000841071338 1028092081 /nfs/dbraw/zinc/09/20/81/1028092081.db2.gz DIVKLLZXWXGYNS-UHFFFAOYSA-N 0 0 389.908 3.644 20 10 GHCDRN NC[C@H]([NH2+]Cc1cc(Br)cc(Br)c1[O-])C1CCCC1 ZINC000841086301 1028110280 /nfs/dbraw/zinc/11/02/80/1028110280.db2.gz HYHVIOIUKHKJSV-ZDUSSCGKSA-N 0 0 392.135 3.524 20 10 GHCDRN O=S(=O)(NCc1c(O)cccc1F)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC001213799882 1028382512 /nfs/dbraw/zinc/38/25/12/1028382512.db2.gz SCYSQQNQKCVQNZ-UHFFFAOYSA-N 0 0 399.312 3.664 20 10 GHCDRN CN1CCN(c2ccc(CNc3ccc(OC4CCCC4)nc3)cc2F)CC1 ZINC001461368791 1069520982 /nfs/dbraw/zinc/52/09/82/1069520982.db2.gz KBGVVOOXFRXBBS-UHFFFAOYSA-N 0 0 384.499 3.906 20 10 GHCDRN Cc1ccc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)Cc3ccccc32)c(O)c1O ZINC000841450144 1028652232 /nfs/dbraw/zinc/65/22/32/1028652232.db2.gz XYBSGCNQGYQNQN-HNNXBMFYSA-N 0 0 398.459 3.502 20 10 GHCDRN CS(=O)(=O)c1cccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c1 ZINC000841495378 1028694123 /nfs/dbraw/zinc/69/41/23/1028694123.db2.gz GZOPGRPGWGPTJH-RVDMUPIBSA-N 0 0 381.544 3.624 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1ccc([S@@](C)=O)c(F)c1 ZINC000841653903 1028802769 /nfs/dbraw/zinc/80/27/69/1028802769.db2.gz KLWIMUQUVCRTNF-PGGUUEOZSA-N 0 0 391.512 3.690 20 10 GHCDRN C[C@H](C(=O)N1CCc2cccc(O)c2C1)N(C(=O)OC(C)(C)C)c1cccnc1 ZINC001142414955 1028850250 /nfs/dbraw/zinc/85/02/50/1028850250.db2.gz CQHDAKPLOLEWQB-OAHLLOKOSA-N 0 0 397.475 3.502 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1cccc(C2OCCO2)c1 ZINC000841700981 1028855369 /nfs/dbraw/zinc/85/53/69/1028855369.db2.gz POTNMKBIQORXRX-MRXNPFEDSA-N 0 0 383.492 3.859 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cnc2c(F)cc(F)cc2c1O ZINC001142419465 1028863154 /nfs/dbraw/zinc/86/31/54/1028863154.db2.gz SAKPLKZMBHGAGT-CYBMUJFWSA-N 0 0 399.441 3.542 20 10 GHCDRN COc1ccc([C@H](C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])N2CCOCC2)cc1 ZINC000841744453 1028906405 /nfs/dbraw/zinc/90/64/05/1028906405.db2.gz NYTKAEHHNPMCMR-QRWLVFNGSA-N 0 0 390.911 3.778 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1cccc([C@H]2CCC(=O)N2)c1 ZINC000841762408 1028919851 /nfs/dbraw/zinc/91/98/51/1028919851.db2.gz XHACSLWRTWAGCM-HRAATJIYSA-N 0 0 394.519 3.765 20 10 GHCDRN CN(C)C(=O)c1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(F)c1 ZINC000841770267 1028928517 /nfs/dbraw/zinc/92/85/17/1028928517.db2.gz LRDJFSWXCULXJR-UHFFFAOYSA-N 0 0 398.482 3.790 20 10 GHCDRN Nc1ccc(CCNC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1 ZINC000841960462 1029014731 /nfs/dbraw/zinc/01/47/31/1029014731.db2.gz RDKQGRBUZJHJLG-CYBMUJFWSA-N 0 0 398.454 3.876 20 10 GHCDRN Oc1cccc(-c2nc(-c3ccc(F)c(I)c3)no2)c1O ZINC001215145830 1029058601 /nfs/dbraw/zinc/05/86/01/1029058601.db2.gz LRIZJYLWTBDOAM-UHFFFAOYSA-N 0 0 398.131 3.559 20 10 GHCDRN Oc1ccc(-c2nc(-c3cccc(I)c3F)no2)cc1O ZINC001215304580 1029141012 /nfs/dbraw/zinc/14/10/12/1029141012.db2.gz STYZXDJGBFITHT-UHFFFAOYSA-N 0 0 398.131 3.559 20 10 GHCDRN CCOc1cc(Br)ccc1-c1noc(-c2ccc(O)c(O)c2)n1 ZINC001215304527 1029141385 /nfs/dbraw/zinc/14/13/85/1029141385.db2.gz QNOXMWXOTMUWMD-UHFFFAOYSA-N 0 0 377.194 3.976 20 10 GHCDRN Oc1ccc(-c2nc(-c3cc(F)c(F)cc3Br)no2)c(O)c1O ZINC001215325103 1029153540 /nfs/dbraw/zinc/15/35/40/1029153540.db2.gz ALNIVBXBHHXOMS-UHFFFAOYSA-N 0 0 385.120 3.561 20 10 GHCDRN CCNC(=O)c1ccc(Nc2ccccc2C(=O)c2ccncc2)c(OC)c1 ZINC001215624977 1029314015 /nfs/dbraw/zinc/31/40/15/1029314015.db2.gz YNTQGKWCYBWOJY-UHFFFAOYSA-N 0 0 375.428 3.815 20 10 GHCDRN O=C(NCc1ccc2cccnc2c1O)c1ccc(Br)cc1F ZINC001142727785 1029351440 /nfs/dbraw/zinc/35/14/40/1029351440.db2.gz FGXNBYKGVLBTMN-UHFFFAOYSA-N 0 0 375.197 3.772 20 10 GHCDRN Oc1cccc2c1CN(Cc1ccc(Br)nc1Br)CC2 ZINC001142750259 1029378957 /nfs/dbraw/zinc/37/89/57/1029378957.db2.gz OPVJWZSYKICDRG-UHFFFAOYSA-N 0 0 398.098 3.871 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC001461521661 1069589776 /nfs/dbraw/zinc/58/97/76/1069589776.db2.gz ODWJAADEMQURLR-NWDGAFQWSA-N 0 0 387.318 3.854 20 10 GHCDRN CN(c1ccc(C(F)(F)F)cc1Cl)S(=O)(=O)CCc1ccc(N)cc1 ZINC001215972803 1029476929 /nfs/dbraw/zinc/47/69/29/1029476929.db2.gz WMPUFVCDUXCVOS-UHFFFAOYSA-N 0 0 392.830 3.950 20 10 GHCDRN COc1ncc(N(c2ccccc2)c2ccc(N)cc2)cc1NS(C)(=O)=O ZINC001216156860 1029545142 /nfs/dbraw/zinc/54/51/42/1029545142.db2.gz ZUQYPYFOUBMWDN-UHFFFAOYSA-N 0 0 384.461 3.514 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@@H](C)Cn3ncc4ccccc43)C2)cc1 ZINC000842874795 1029651127 /nfs/dbraw/zinc/65/11/27/1029651127.db2.gz IBKVAXUHNDXYCV-ZWKOTPCHSA-N 0 0 393.487 3.751 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000842875622 1029651707 /nfs/dbraw/zinc/65/17/07/1029651707.db2.gz SLAFEOKCAXYFHT-INIZCTEOSA-N 0 0 398.459 3.951 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3cncc(C(F)(F)F)c3)C2)cc1 ZINC000842876262 1029653968 /nfs/dbraw/zinc/65/39/68/1029653968.db2.gz RTAKPPYGPVRZGH-ZDUSSCGKSA-N 0 0 380.366 3.792 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3csc([C@H]4CCCO4)n3)C2)cc1 ZINC000842877799 1029654746 /nfs/dbraw/zinc/65/47/46/1029654746.db2.gz DHCDQYOADIALBL-KBXCAEBGSA-N 0 0 388.489 3.687 20 10 GHCDRN CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])[C@@H]1SC ZINC000842925583 1029691187 /nfs/dbraw/zinc/69/11/87/1029691187.db2.gz YUGQNONHOIXICG-MKSSDUHQSA-N 0 0 378.307 3.853 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc(CC(F)(F)F)n1Cc1cccs1 ZINC000843036518 1029777390 /nfs/dbraw/zinc/77/73/90/1029777390.db2.gz OPXIIHCCKWLYBO-UHFFFAOYSA-N 0 0 382.411 3.835 20 10 GHCDRN C[C@@H]1SCC[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000843434646 1030008282 /nfs/dbraw/zinc/00/82/82/1030008282.db2.gz LXSYKOCQXHGACF-WRWORJQWSA-N 0 0 381.133 3.901 20 10 GHCDRN C[C@H](NC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1ccccc1O ZINC001222254619 1030033943 /nfs/dbraw/zinc/03/39/43/1030033943.db2.gz REVYZXRVMMFJEL-BBRMVZONSA-N 0 0 387.867 3.601 20 10 GHCDRN CCC[C@H](C)[C@@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC001461619032 1069644019 /nfs/dbraw/zinc/64/40/19/1069644019.db2.gz NEPMSJWAHLCACA-TVQRCGJNSA-N 0 0 395.135 3.804 20 10 GHCDRN CCC[C@@H](C)[C@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC001461619029 1069644168 /nfs/dbraw/zinc/64/41/68/1069644168.db2.gz NEPMSJWAHLCACA-RNCFNFMXSA-N 0 0 395.135 3.804 20 10 GHCDRN Oc1ccc(-c2nc(-c3cccc4occc43)no2)cc1CN1CCOCC1 ZINC001217055876 1030126986 /nfs/dbraw/zinc/12/69/86/1030126986.db2.gz CASYAXYBPWVZPN-UHFFFAOYSA-N 0 0 377.400 3.688 20 10 GHCDRN Oc1ccc(-c2nc(-c3ccc4scnc4c3)no2)cc1CN1CCOCC1 ZINC001217056933 1030130298 /nfs/dbraw/zinc/13/02/98/1030130298.db2.gz XTGJSNYFBSCOQZ-UHFFFAOYSA-N 0 0 394.456 3.551 20 10 GHCDRN COc1ccc2c(c1)OCC[C@H]2NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001222479707 1030160469 /nfs/dbraw/zinc/16/04/69/1030160469.db2.gz BWUXWOLNYNODGJ-IIBYNOLFSA-N 0 0 397.519 3.824 20 10 GHCDRN O=C(NCC[C@@H]1C[C@H]1C1CC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001222590421 1030215594 /nfs/dbraw/zinc/21/55/94/1030215594.db2.gz NRFQIJTYZJUMAL-GJYPPUQNSA-N 0 0 393.478 3.992 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCc2nc(C)c(C)s2)c1 ZINC001149594812 1030237815 /nfs/dbraw/zinc/23/78/15/1030237815.db2.gz YECCFVKYPGWCFZ-UHFFFAOYSA-N 0 0 381.501 3.952 20 10 GHCDRN CCCC[C@H](CCC)NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001222971615 1030373488 /nfs/dbraw/zinc/37/34/88/1030373488.db2.gz OQPPGUIUWOJTSU-IBGZPJMESA-N 0 0 388.556 3.546 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCOc1ccc(F)cc1F ZINC001223057058 1030414284 /nfs/dbraw/zinc/41/42/84/1030414284.db2.gz XWLBJUCBGCIANX-OAHLLOKOSA-N 0 0 391.462 3.648 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@H](O)COc1ccc(F)cc1 ZINC001150145239 1030426267 /nfs/dbraw/zinc/42/62/67/1030426267.db2.gz FEPGWLKYZYERRJ-IBGZPJMESA-N 0 0 396.462 3.711 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccc3[nH]c(=O)n(CC(C)(C)C)c32)c1 ZINC001150543444 1030561515 /nfs/dbraw/zinc/56/15/15/1030561515.db2.gz OWLWRACBPNQGIB-ZDUSSCGKSA-N 0 0 397.475 3.993 20 10 GHCDRN Cc1cc(C(=O)N[C@H](CCO)C(C)C)c(C)n1-c1cccc(Br)c1 ZINC001150565715 1030571386 /nfs/dbraw/zinc/57/13/86/1030571386.db2.gz MRGKINKPLWLWDZ-GOSISDBHSA-N 0 0 393.325 3.993 20 10 GHCDRN CCON(C(=O)Cc1ccc(O)c(O)c1)[C@H](C)c1cccc(Br)c1 ZINC001150708473 1030621205 /nfs/dbraw/zinc/62/12/05/1030621205.db2.gz JQDMPKYFOUXKEQ-GFCCVEGCSA-N 0 0 394.265 3.944 20 10 GHCDRN COc1ccc(CNCc2nnc([C@H]3C[C@H]3c3ccc(Cl)cc3)o2)c(O)c1 ZINC001217717512 1030625597 /nfs/dbraw/zinc/62/55/97/1030625597.db2.gz CXCIIVJTDBUXCY-IRXDYDNUSA-N 0 0 385.851 3.998 20 10 GHCDRN COc1ccc(CNCc2nnc(-c3ccc(-n4cccc4)cc3)o2)c(OC)c1 ZINC001217729648 1030632117 /nfs/dbraw/zinc/63/21/17/1030632117.db2.gz DWIJOBIBKWPCHR-UHFFFAOYSA-N 0 0 390.443 3.834 20 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1031043018 /nfs/dbraw/zinc/04/30/18/1031043018.db2.gz AUCYAQCBJQLVGO-WLRWDXFRSA-N 0 0 388.876 3.852 20 10 GHCDRN Cc1cnn(Cc2ccc(Br)cc2)c1NC(=O)Cc1ccc(N)cc1 ZINC001218734351 1031057620 /nfs/dbraw/zinc/05/76/20/1031057620.db2.gz HHODJKAIXDZUEE-UHFFFAOYSA-N 0 0 399.292 3.766 20 10 GHCDRN COC(=O)c1ccnc(C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)c1 ZINC001152402358 1031220724 /nfs/dbraw/zinc/22/07/24/1031220724.db2.gz XLCGFIJPITZLDH-INIZCTEOSA-N 0 0 390.439 3.977 20 10 GHCDRN CCO[C@@H](CCNC(=O)Nc1c(-c2ccccn2)nc2ccccn21)C(C)C ZINC001219189932 1031298466 /nfs/dbraw/zinc/29/84/66/1031298466.db2.gz SNSUFIIWZVVZOZ-KRWDZBQOSA-N 0 0 381.480 3.969 20 10 GHCDRN CN(C)c1ccc(/C=C/c2ccc(NC(=O)c3c4c(nn3C)CNC4)cc2)cc1 ZINC001219203677 1031303467 /nfs/dbraw/zinc/30/34/67/1031303467.db2.gz LRUNGINBCWUSLP-SNAWJCMRSA-N 0 0 387.487 3.512 20 10 GHCDRN Nc1ccc(N(C(=O)[C@H](N)c2cccnc2)c2ccc3ccccc3c2N)cc1 ZINC001219471847 1031443462 /nfs/dbraw/zinc/44/34/62/1031443462.db2.gz VKKNRQNWNQLZAT-OAQYLSRUSA-N 0 0 383.455 3.764 20 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Cc1ccc(C(=O)NCC(C)(C)c2ccc(Br)cc2)c(O)c1O ZINC001291544307 1043334389 /nfs/dbraw/zinc/33/43/89/1043334389.db2.gz AUBUVHJBGVOLBO-UHFFFAOYSA-N 0 0 378.266 3.876 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H](C)C(=O)NCc1ccccc1 ZINC001292093111 1043589428 /nfs/dbraw/zinc/58/94/28/1043589428.db2.gz OBINWBWDLGCPBI-IBGZPJMESA-N 0 0 389.499 3.837 20 10 GHCDRN COc1ccc(N2CCN(CCNC(=O)C[C@H]3CCCCC3(C)C)CC2)cc1 ZINC001292282089 1043663340 /nfs/dbraw/zinc/66/33/40/1043663340.db2.gz KEIIPXSUSDZRIF-LJQANCHMSA-N 0 0 387.568 3.540 20 10 GHCDRN Cc1cc(C(=O)N=c2sccn2C)c(C)n1-c1ccccc1Br ZINC001292362718 1043705344 /nfs/dbraw/zinc/70/53/44/1043705344.db2.gz OYJUWRKAXHUYLR-UHFFFAOYSA-N 0 0 390.306 3.998 20 10 GHCDRN COc1cc(C[C@@H](O)c2nnc(-c3ccc(-n4cccc4)cc3)o2)ccc1O ZINC001256934894 1043759617 /nfs/dbraw/zinc/75/96/17/1043759617.db2.gz ADSFXPCRJVHSNE-GOSISDBHSA-N 0 0 377.400 3.518 20 10 GHCDRN CN1C(=O)C[C@H](c2nnc(-c3ccc(-n4cccc4)cc3)o2)[C@H]1c1cccnc1 ZINC001256956841 1043772743 /nfs/dbraw/zinc/77/27/43/1043772743.db2.gz AFPZNUMUMJBKKF-AZUAARDMSA-N 0 0 385.427 3.609 20 10 GHCDRN Cc1cn2c(ncc(-c3nnc(-c4ccc(-n5cccc5)cc4)o3)c2=O)s1 ZINC001256996106 1043792768 /nfs/dbraw/zinc/79/27/68/1043792768.db2.gz RMTPDADIRIFVMN-UHFFFAOYSA-N 0 0 375.413 3.572 20 10 GHCDRN COc1ccc(COCCCNC(=O)c2cc3cc(O)c(O)cc3s2)cc1 ZINC001292726694 1043851057 /nfs/dbraw/zinc/85/10/57/1043851057.db2.gz UFSUHDCUIOHTHM-UHFFFAOYSA-N 0 0 387.457 3.658 20 10 GHCDRN CCc1nnc(N2CCCCCC2)n1Cc1ccc(N2CCSCC2)cc1 ZINC001293061089 1044007073 /nfs/dbraw/zinc/00/70/73/1044007073.db2.gz XDGNKCCLTXSMCO-UHFFFAOYSA-N 0 0 385.581 3.822 20 10 GHCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cc(F)c[nH]c2=O)cc1 ZINC001293123699 1044027996 /nfs/dbraw/zinc/02/79/96/1044027996.db2.gz SXOGDWWAYJIRBA-UHFFFAOYSA-N 0 0 395.434 3.848 20 10 GHCDRN CCc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CCCSc1nccs1 ZINC001293147324 1044036381 /nfs/dbraw/zinc/03/63/81/1044036381.db2.gz ONRYELRDGTUQFL-AWEZNQCLSA-N 0 0 395.598 3.731 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(-n3cccn3)c(F)c2)cc1F ZINC001293225374 1044069269 /nfs/dbraw/zinc/06/92/69/1044069269.db2.gz SNWTVIQLKHSEML-UHFFFAOYSA-N 0 0 384.430 3.927 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)Nc1ccc2c(c1)N(C)CCO2 ZINC001294423928 1044617110 /nfs/dbraw/zinc/61/71/10/1044617110.db2.gz AGUBCKGUOCZMBR-UHFFFAOYSA-N 0 0 389.455 3.988 20 10 GHCDRN CCCN(CC)c1nnc(CC(C)C)n1Cc1ccc(N2CCOCC2)cc1 ZINC001294497676 1044666467 /nfs/dbraw/zinc/66/64/67/1044666467.db2.gz NTPHGHSZKXHMDX-UHFFFAOYSA-N 0 0 385.556 3.598 20 10 GHCDRN COc1ccc([C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C(F)(F)F)cc1 ZINC001295496957 1045035009 /nfs/dbraw/zinc/03/50/09/1045035009.db2.gz YQSLZDOFFXIIAC-CQSZACIVSA-N 0 0 380.326 3.891 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1 ZINC001295729308 1045119179 /nfs/dbraw/zinc/11/91/79/1045119179.db2.gz FQYSNNPQRLQAJA-FCHUYYIVSA-N 0 0 396.531 3.705 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2c[nH]c(C(=O)N3CCCC3)c2)cc1 ZINC001296059088 1045236670 /nfs/dbraw/zinc/23/66/70/1045236670.db2.gz ZFFXKUKWLNRDKP-UHFFFAOYSA-N 0 0 376.460 3.911 20 10 GHCDRN C[C@H]1CCCCN1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1 ZINC001259684439 1045266207 /nfs/dbraw/zinc/26/62/07/1045266207.db2.gz VIWCQQFHKZPTQE-AWEZNQCLSA-N 0 0 389.477 3.599 20 10 GHCDRN CCOC1(Cn2c(CC3CC3)nnc2N(C)Cc2ccccc2O)CCCC1 ZINC001296689807 1045354224 /nfs/dbraw/zinc/35/42/24/1045354224.db2.gz KYSOPLSNRQMTDL-UHFFFAOYSA-N 0 0 384.524 3.922 20 10 GHCDRN CN1C(=O)COc2ccc(NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc21 ZINC000743500578 1045357000 /nfs/dbraw/zinc/35/70/00/1045357000.db2.gz JJSBDCYEXAFJLO-UHFFFAOYSA-N 0 0 396.447 3.552 20 10 GHCDRN O=S(=O)(Nc1c(F)cc(O)cc1F)c1ccc(Oc2ccccn2)cc1 ZINC001260147820 1045398328 /nfs/dbraw/zinc/39/83/28/1045398328.db2.gz YOBDSKUFFYKHCK-UHFFFAOYSA-N 0 0 378.356 3.659 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@@H](CO)[C@H]2C)c(C)n1-c1ccc(Br)cc1 ZINC001297076251 1045443291 /nfs/dbraw/zinc/44/32/91/1045443291.db2.gz OCJUFOJBRHOMRS-HIFRSBDPSA-N 0 0 391.309 3.700 20 10 GHCDRN CCOCc1nnc(N2C[C@@H](C)C[C@@H]2CC)n1Cc1ccc(N(C)C)c(F)c1 ZINC001297096295 1045449690 /nfs/dbraw/zinc/44/96/90/1045449690.db2.gz AADKQRKJUGXKFX-RDJZCZTQSA-N 0 0 389.519 3.693 20 10 GHCDRN O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N1CCc2cccc(O)c2C1 ZINC001260321153 1045459834 /nfs/dbraw/zinc/45/98/34/1045459834.db2.gz UJZWWJVPASGBJP-UHFFFAOYSA-N 0 0 391.798 3.811 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)S(=O)(=O)c1c(F)cc(F)cc1F ZINC001260351848 1045473032 /nfs/dbraw/zinc/47/30/32/1045473032.db2.gz XKHCEUVOJLJLDI-UHFFFAOYSA-N 0 0 384.423 3.525 20 10 GHCDRN O=S(=O)(NCc1cccc(O)c1O)c1ccc(Cl)c(Cl)c1Cl ZINC001260434008 1045494825 /nfs/dbraw/zinc/49/48/25/1045494825.db2.gz NEWLUSIBFCAABK-UHFFFAOYSA-N 0 0 382.652 3.537 20 10 GHCDRN Cc1cc(Br)ccc1S(=O)(=O)Nc1ccc(O)c(F)c1F ZINC001260461580 1045502584 /nfs/dbraw/zinc/50/25/84/1045502584.db2.gz ZNMOSCXTDQPZSP-UHFFFAOYSA-N 0 0 378.194 3.542 20 10 GHCDRN Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Br)c(Cl)s1 ZINC001260491202 1045513984 /nfs/dbraw/zinc/51/39/84/1045513984.db2.gz WVBZETTUJHZDDN-UHFFFAOYSA-N 0 0 382.688 3.979 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F)c2C)cc1 ZINC001297773147 1045618482 /nfs/dbraw/zinc/61/84/82/1045618482.db2.gz GJQLQVKYRQMFTF-ROUUACIJSA-N 0 0 398.425 3.780 20 10 GHCDRN O=S(=O)(Nc1ccc(O)c(Br)c1)c1ccc2c(c1)CCCC2 ZINC001260981910 1045796309 /nfs/dbraw/zinc/79/63/09/1045796309.db2.gz KKANNUSXXTYZHA-UHFFFAOYSA-N 0 0 382.279 3.834 20 10 GHCDRN O=S(=O)(Nc1ccc(O)cc1Br)c1ccc2c(c1)CCCC2 ZINC001260982657 1045798389 /nfs/dbraw/zinc/79/83/89/1045798389.db2.gz ZFSUZYBBLLMTOY-UHFFFAOYSA-N 0 0 382.279 3.834 20 10 GHCDRN CCN(Cc1ccccc1O)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC001261018473 1045842661 /nfs/dbraw/zinc/84/26/61/1045842661.db2.gz CHJIAPSLCQAUOC-UHFFFAOYSA-N 0 0 377.359 3.761 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](C(C)C)C2(CO)CCC2)c1 ZINC001298519914 1045849250 /nfs/dbraw/zinc/84/92/50/1045849250.db2.gz WDGLNHQRIVANIU-NRFANRHFSA-N 0 0 382.504 3.824 20 10 GHCDRN O=S(=O)(Nc1ccc(Cl)c(F)c1F)c1ccc(Cl)c2nonc21 ZINC001261072952 1045888710 /nfs/dbraw/zinc/88/87/10/1045888710.db2.gz LODPPVGACONUSX-UHFFFAOYSA-N 0 0 380.159 3.609 20 10 GHCDRN Cc1ccc(S(=O)(=O)NCc2ccc(N3CCC(C)CC3)cc2)c(Cl)n1 ZINC001463048616 1070756532 /nfs/dbraw/zinc/75/65/32/1070756532.db2.gz PKNOIOXJMYVYQZ-UHFFFAOYSA-N 0 0 393.940 3.758 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)c1 ZINC001301046637 1046307282 /nfs/dbraw/zinc/30/72/82/1046307282.db2.gz GUIREAXCGYYPDV-UHFFFAOYSA-N 0 0 375.350 3.835 20 10 GHCDRN CCn1c(C2SC=CC2=O)nnc1N1CCN(c2cccc3[nH]ccc32)CC1 ZINC001263011173 1046498952 /nfs/dbraw/zinc/49/89/52/1046498952.db2.gz ULNSQECIWHMTAT-UHFFFAOYSA-N 0 0 394.504 3.540 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OCCNC(=O)c2cccnc2)c1 ZINC001263291263 1046687021 /nfs/dbraw/zinc/68/70/21/1046687021.db2.gz QKZJCPJVLJTLRA-UHFFFAOYSA-N 0 0 397.862 3.729 20 10 GHCDRN Cc1cc(CNC(=O)c2ccc(-n3cnnc3)cc2)c(C)n1-c1cccc(C)c1 ZINC001302262393 1046890076 /nfs/dbraw/zinc/89/00/76/1046890076.db2.gz QNSDJYSXNXZGDX-UHFFFAOYSA-N 0 0 385.471 3.913 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc([C@H]2CCCCN2C)n1Cc1cccs1 ZINC001263499969 1046910255 /nfs/dbraw/zinc/91/02/55/1046910255.db2.gz VGWNQNFAMUCMOC-GOSISDBHSA-N 0 0 397.548 3.887 20 10 GHCDRN CCOc1ccc([N+](=O)[O-])cc1CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000747531328 1046959155 /nfs/dbraw/zinc/95/91/55/1046959155.db2.gz WJGOLPPRWUCNCX-UHFFFAOYSA-N 0 0 376.409 3.656 20 10 GHCDRN Cc1cc(C(=O)NCc2nn(C)cc2C(F)F)c(C)n1-c1ccc(F)cc1 ZINC001302596132 1046996921 /nfs/dbraw/zinc/99/69/21/1046996921.db2.gz FOASMWRTNPURFV-UHFFFAOYSA-N 0 0 376.382 3.834 20 10 GHCDRN COC(=O)/C=C/c1ccc(N(C)Cc2nc3c(s2)CCCC3)c([N+](=O)[O-])c1 ZINC000747622242 1047011345 /nfs/dbraw/zinc/01/13/45/1047011345.db2.gz PRXNCTJTXBLXCN-CSKARUKUSA-N 0 0 387.461 3.753 20 10 GHCDRN Cc1cc(C(=O)NC[C@H](CO)Cc2ccoc2)c(C)n1-c1cc(C)cc(C)c1 ZINC001303093984 1047277209 /nfs/dbraw/zinc/27/72/09/1047277209.db2.gz SIEFVZVPZWHQDW-HXUWFJFHSA-N 0 0 380.488 3.885 20 10 GHCDRN O=C(NCc1cccc(O)c1O)c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC001303194809 1047309139 /nfs/dbraw/zinc/30/91/39/1047309139.db2.gz KBVAYLALUXDXRB-UHFFFAOYSA-N 0 0 383.350 3.537 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2nc3ccccc3n2C)cc1 ZINC001303390243 1047380491 /nfs/dbraw/zinc/38/04/91/1047380491.db2.gz GRQFXDIWJLXCEY-UHFFFAOYSA-N 0 0 386.455 3.975 20 10 GHCDRN C[C@@H](Nc1ccc(C(=O)NCc2ccccc2O)cc1[N+](=O)[O-])c1ccccn1 ZINC000748345901 1047417798 /nfs/dbraw/zinc/41/77/98/1047417798.db2.gz GEHMADXLDPEDMF-CQSZACIVSA-N 0 0 392.415 3.799 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Cc3ccc([Si](C)(C)C)cc3)CC2)cc1 ZINC001264733390 1047421437 /nfs/dbraw/zinc/42/14/37/1047421437.db2.gz ZOIKFNAWITWMRW-UHFFFAOYSA-N 0 0 396.607 3.522 20 10 GHCDRN Cc1cc(C(=O)N2CCC(c3ccn(C)n3)CC2)c(C)n1-c1ccc(F)cc1 ZINC001303784431 1047511972 /nfs/dbraw/zinc/51/19/72/1047511972.db2.gz LVYCUNUNSVYAHM-UHFFFAOYSA-N 0 0 380.467 3.987 20 10 GHCDRN O=C(NCc1c(O)ccc2ccccc21)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC001304090001 1047584339 /nfs/dbraw/zinc/58/43/39/1047584339.db2.gz UTUABYGDEBSBEG-MOPGFXCFSA-N 0 0 380.488 3.590 20 10 GHCDRN Cc1cc(N(C)C)ccc1Cn1c(-c2ccc[nH]2)nnc1N(C)CC1CC(F)C1 ZINC001304237713 1047622685 /nfs/dbraw/zinc/62/26/85/1047622685.db2.gz AORMIHMXJSSNGI-UHFFFAOYSA-N 0 0 396.514 3.880 20 10 GHCDRN Cc1cc(N(C)C)ccc1Cn1c(-c2cccnc2)nnc1N(C)CC(C)C ZINC001304237715 1047622803 /nfs/dbraw/zinc/62/28/03/1047622803.db2.gz APGNFFCBMDNANQ-UHFFFAOYSA-N 0 0 378.524 3.855 20 10 GHCDRN Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](C)CC1 ZINC001304238482 1047623381 /nfs/dbraw/zinc/62/33/81/1047623381.db2.gz RPROBAGDIKZUIR-XLIONFOSSA-N 0 0 397.567 3.831 20 10 GHCDRN Cc1cc(N(C)C)ccc1Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](C)C1 ZINC001304240965 1047623930 /nfs/dbraw/zinc/62/39/30/1047623930.db2.gz QUCLHYPGQQDGMA-QGZVFWFLSA-N 0 0 390.535 3.533 20 10 GHCDRN Cc1cc(O)c(CN2C[C@H]3CN(CCCC(F)(F)F)C[C@@H](C2)O3)cc1Cl ZINC001279433649 1047805084 /nfs/dbraw/zinc/80/50/84/1047805084.db2.gz YMNVZKFKLZVICG-GASCZTMLSA-N 0 0 392.849 3.582 20 10 GHCDRN Cc1ccccc1-n1ccnc1SCC(=O)NCc1cccc(Cl)c1O ZINC001305069967 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COc1ccc2ccc(O)c(CN(C)Cc3nccn3CC(F)(F)F)c2c1 ZINC000738156162 865499242 /nfs/dbraw/zinc/49/92/42/865499242.db2.gz KMYAFKQXDDDVKK-UHFFFAOYSA-N 0 0 379.382 3.945 20 10 GHCDRN Cc1cc(C(=O)CN2CCCN(C(=O)C(C)C)CC2)c(C)n1-c1cccc(F)c1 ZINC000738313376 865528836 /nfs/dbraw/zinc/52/88/36/865528836.db2.gz IEIMCQXCEAAFPM-UHFFFAOYSA-N 0 0 399.510 3.606 20 10 GHCDRN CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000793045011 881892181 /nfs/dbraw/zinc/89/21/81/881892181.db2.gz YXOOCXRXSSNSLA-GOSISDBHSA-N 0 0 387.524 3.549 20 10 GHCDRN Cc1cc(NCc2ccc(N3CCOCC3)cc2)c2cccc([N+](=O)[O-])c2n1 ZINC000302024908 865673481 /nfs/dbraw/zinc/67/34/81/865673481.db2.gz POCOJLKSKAQBBE-UHFFFAOYSA-N 0 0 378.432 3.900 20 10 GHCDRN COc1cccc(CNC(=O)N[C@@H](C)COc2ccccc2C(F)(F)F)c1O ZINC000174299733 865691473 /nfs/dbraw/zinc/69/14/73/865691473.db2.gz COEOHNNYLVOIOW-LBPRGKRZSA-N 0 0 398.381 3.686 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCSC[C@@H]2c2nccs2)cc1 ZINC000185195466 865699737 /nfs/dbraw/zinc/69/97/37/865699737.db2.gz YNAYQFGWUUKWLU-QGZVFWFLSA-N 0 0 390.578 3.989 20 10 GHCDRN CCN1C[C@@H](COC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1=O ZINC000739243598 865706876 /nfs/dbraw/zinc/70/68/76/865706876.db2.gz LJJGLZDVMVQDQL-INIZCTEOSA-N 0 0 388.895 3.702 20 10 GHCDRN COc1cc2c(cc1F)ncnc2NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000302191743 865758762 /nfs/dbraw/zinc/75/87/62/865758762.db2.gz ZHZZDAGVEBHIPU-UHFFFAOYSA-N 0 0 396.466 3.598 20 10 GHCDRN CN(C)c1nc2sc(C(=O)N3CCOc4cc(N(C)C)ccc43)cc2s1 ZINC000173196314 865773773 /nfs/dbraw/zinc/77/37/73/865773773.db2.gz QMFUAHBHBKFCCR-UHFFFAOYSA-N 0 0 388.518 3.529 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCOC[C@H]3C(F)(F)F)c2C)cc1 ZINC000739752690 865797683 /nfs/dbraw/zinc/79/76/83/865797683.db2.gz XIHYEWLRFPPGDC-KRWDZBQOSA-N 0 0 382.382 3.506 20 10 GHCDRN O=C(CCc1nc(-c2ccsc2)no1)NCc1c(O)ccc2c1CCCC2 ZINC000174516119 865862764 /nfs/dbraw/zinc/86/27/64/865862764.db2.gz SERFAMQHTNBVCK-UHFFFAOYSA-N 0 0 383.473 3.632 20 10 GHCDRN Cc1cc(C(=O)NC[C@]2(CO)C[C@H]2c2ccc(F)cc2)c(C)n1-c1ccccn1 ZINC000760588714 866073985 /nfs/dbraw/zinc/07/39/85/866073985.db2.gz MLQMKGNAQOSFPY-REWPJTCUSA-N 0 0 393.462 3.524 20 10 GHCDRN Cc1ccc(-c2noc(CN(Cc3ccccc3O)C[C@@H]3CCCO3)n2)cc1 ZINC000070976499 866228636 /nfs/dbraw/zinc/22/86/36/866228636.db2.gz LSZCTQAQSUBBGN-IBGZPJMESA-N 0 0 379.460 3.932 20 10 GHCDRN CCCN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000741090067 866234058 /nfs/dbraw/zinc/23/40/58/866234058.db2.gz BNVLQTNCKVUSJX-HBMCJLEFSA-N 0 0 383.536 3.798 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3cnc(-c4ccccc4F)s3)CC2)cc1 ZINC000109024876 866360809 /nfs/dbraw/zinc/36/08/09/866360809.db2.gz JALASGLPQORWCS-UHFFFAOYSA-N 0 0 397.475 3.920 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000741426258 866525797 /nfs/dbraw/zinc/52/57/97/866525797.db2.gz QTGYBXHIHUEMKR-NJYVYQBISA-N 0 0 397.519 3.871 20 10 GHCDRN COc1cccc2[nH]cc(CCNC(=O)NCCCSc3nccs3)c21 ZINC000183288246 866562030 /nfs/dbraw/zinc/56/20/30/866562030.db2.gz HYCGUZRFTOHTQL-UHFFFAOYSA-N 0 0 390.534 3.657 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H](C4(C)OCCO4)C3)c2C)cc1 ZINC000183315492 866593217 /nfs/dbraw/zinc/59/32/17/866593217.db2.gz FICPFUHKDSHKQV-GOSISDBHSA-N 0 0 398.503 3.718 20 10 GHCDRN Cc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1NC(=O)c1ccco1 ZINC000183454930 866733628 /nfs/dbraw/zinc/73/36/28/866733628.db2.gz DTLYNNQBMNKXDT-CQSZACIVSA-N 0 0 394.427 3.613 20 10 GHCDRN COc1ccc(N2CCCN(Cn3ncn(-c4ccccc4)c3=S)CC2)cc1 ZINC000054570297 882011288 /nfs/dbraw/zinc/01/12/88/882011288.db2.gz GVFBVNDXDIOMEG-UHFFFAOYSA-N 0 0 395.532 3.582 20 10 GHCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)/C=C/c2cccc(O)c2)cc1 ZINC000183514979 866809678 /nfs/dbraw/zinc/80/96/78/866809678.db2.gz RLBQHLHZGFNTPL-FLSMSTFGSA-N 0 0 380.488 3.679 20 10 GHCDRN COc1cc(N(C)C[C@@H](O)COc2c(C)ccc(C)c2C)cc(OC)c1OC ZINC000741798913 866821466 /nfs/dbraw/zinc/82/14/66/866821466.db2.gz NFYPLWAWBJUAOZ-GOSISDBHSA-N 0 0 389.492 3.514 20 10 GHCDRN COc1cc(N(C)Cc2cc3c(C)nn(C)c3nc2Cl)cc(OC)c1OC ZINC000741799339 866822107 /nfs/dbraw/zinc/82/21/07/866822107.db2.gz ZMEYMVKVIYJCAL-UHFFFAOYSA-N 0 0 390.871 3.592 20 10 GHCDRN COc1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(C)c1 ZINC000741909412 866886634 /nfs/dbraw/zinc/88/66/34/866886634.db2.gz PNROFDKNUMSXFO-HOTGVXAUSA-N 0 0 386.467 3.686 20 10 GHCDRN COc1ccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(C)c1 ZINC000741909413 866888084 /nfs/dbraw/zinc/88/80/84/866888084.db2.gz PNROFDKNUMSXFO-HZPDHXFCSA-N 0 0 386.467 3.686 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1 ZINC000741931938 866920075 /nfs/dbraw/zinc/92/00/75/866920075.db2.gz MFYICICVKVDHSL-XMMPIXPASA-N 0 0 393.531 3.620 20 10 GHCDRN Cc1cc(CCNC(=O)[C@H](C)Cc2c(C)nn(C)c2C)c(C)n1-c1ccccc1 ZINC000742041443 867023332 /nfs/dbraw/zinc/02/33/32/867023332.db2.gz QKBCMLIBPWOMSS-MRXNPFEDSA-N 0 0 392.547 3.982 20 10 GHCDRN O=C(NCCCSc1nccs1)c1ccc(OC2CCOCC2)cc1 ZINC000742074559 867033649 /nfs/dbraw/zinc/03/36/49/867033649.db2.gz ULJHRSHJEZQRMB-UHFFFAOYSA-N 0 0 378.519 3.613 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(N3CCC(O)CC3)cc2)cc1F ZINC000742252945 867167373 /nfs/dbraw/zinc/16/73/73/867167373.db2.gz QGXAZXXRIRJELI-UHFFFAOYSA-N 0 0 399.510 3.563 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000920339225 882058608 /nfs/dbraw/zinc/05/86/08/882058608.db2.gz RUSPNSZHGMJUDL-HXUWFJFHSA-N 0 0 399.579 3.920 20 10 GHCDRN Cc1cc(C(=O)CS[C@@H](C)C(C)C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000742460213 867308535 /nfs/dbraw/zinc/30/85/35/867308535.db2.gz ANLXLPYMHJCLSC-HNNXBMFYSA-N 0 0 394.562 3.702 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3cccc(-c4cscn4)c3)CC2)cc1 ZINC000742471438 867313296 /nfs/dbraw/zinc/31/32/96/867313296.db2.gz PURCEKBSRGMOMV-UHFFFAOYSA-N 0 0 379.485 3.781 20 10 GHCDRN C[C@@H](NC(=O)[C@@H]1SCCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000742584413 867391611 /nfs/dbraw/zinc/39/16/11/867391611.db2.gz YIIPFLCROQOCLW-IIBYNOLFSA-N 0 0 382.529 3.731 20 10 GHCDRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000742597134 867406537 /nfs/dbraw/zinc/40/65/37/867406537.db2.gz NXBRVDKNODBSBH-UHFFFAOYSA-N 0 0 386.858 3.969 20 10 GHCDRN CCC[C@H](Cc1ccccc1)NC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000553442490 867421198 /nfs/dbraw/zinc/42/11/98/867421198.db2.gz NXUAGMPPJIPVDY-LJQANCHMSA-N 0 0 391.515 3.631 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)[C@@]3(C)CCc4ccccc4C3)CC2)cc1 ZINC000742619152 867427304 /nfs/dbraw/zinc/42/73/04/867427304.db2.gz PKQPOGVTWZGMFZ-DEOSSOPVSA-N 0 0 378.516 3.975 20 10 GHCDRN CC[C@H](C)CC[C@@H](O)CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000793345442 882093625 /nfs/dbraw/zinc/09/36/25/882093625.db2.gz CDBVGMVSFFSBDR-MAUKXSAKSA-N 0 0 398.494 3.950 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCN[C@H](c4ccccc4)C3)ccc21 ZINC000456991273 867500365 /nfs/dbraw/zinc/50/03/65/867500365.db2.gz MANRDBPMEBIPRR-QFIPXVFZSA-N 0 0 391.515 3.691 20 10 GHCDRN CCOC(=O)CCCNC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000742758586 867531496 /nfs/dbraw/zinc/53/14/96/867531496.db2.gz AWJXOOLEEJLCGJ-UHFFFAOYSA-N 0 0 375.513 3.598 20 10 GHCDRN CC[C@H](C)CC[C@H](O)CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000793345444 882093126 /nfs/dbraw/zinc/09/31/26/882093126.db2.gz CDBVGMVSFFSBDR-YJBOKZPZSA-N 0 0 398.494 3.950 20 10 GHCDRN C/C(=C/C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)C1CC1 ZINC000742751169 867548072 /nfs/dbraw/zinc/54/80/72/867548072.db2.gz RYURLGSIKDCCEZ-ZDRDQBANSA-N 0 0 387.524 3.791 20 10 GHCDRN CC(C)[C@@H](C)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000742754238 867551269 /nfs/dbraw/zinc/55/12/69/867551269.db2.gz NZTWCVZOOHVZRL-QAPCUYQASA-N 0 0 377.529 3.727 20 10 GHCDRN C[C@@H]1CCCC[C@H]1OCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000742799135 867563492 /nfs/dbraw/zinc/56/34/92/867563492.db2.gz HCMMHIAWMSTMLO-GPMSIDNRSA-N 0 0 396.478 3.968 20 10 GHCDRN COc1ccc(F)cc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000742800708 867564836 /nfs/dbraw/zinc/56/48/36/867564836.db2.gz LDIOIZOVNVZVKA-AWEZNQCLSA-N 0 0 394.393 3.835 20 10 GHCDRN Cc1cc(C(=O)NCCc2nc(C(F)(F)F)cs2)c(C)n1-c1ccccn1 ZINC000742930774 867682871 /nfs/dbraw/zinc/68/28/71/867682871.db2.gz ZZACATNLVZEAEN-UHFFFAOYSA-N 0 0 394.422 3.937 20 10 GHCDRN CCc1nc(NC(=O)NCc2ccc(N3CCSCC3)cc2)sc1C ZINC000743223399 867974584 /nfs/dbraw/zinc/97/45/84/867974584.db2.gz HNPOOLMGYKAVSZ-UHFFFAOYSA-N 0 0 376.551 3.889 20 10 GHCDRN Cc1cc(C)cc(-c2ccc(/C=C3\SC(=S)N(CC(N)=O)C3=O)cc2)c1 ZINC000743281532 868027525 /nfs/dbraw/zinc/02/75/25/868027525.db2.gz BIKZANSBSQDMFD-YVLHZVERSA-N 0 0 382.510 3.657 20 10 GHCDRN COc1ccc(O)c(CNC(=O)c2cccc(-c3noc(CC(C)(C)C)n3)c2)c1 ZINC000743412529 868190017 /nfs/dbraw/zinc/19/00/17/868190017.db2.gz IRROUALBYKCUMD-UHFFFAOYSA-N 0 0 395.459 3.969 20 10 GHCDRN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1nc(Cc2ccccc2)no1 ZINC000743475237 868223613 /nfs/dbraw/zinc/22/36/13/868223613.db2.gz ZRMUIKBQSYYBRL-ZWKOTPCHSA-N 0 0 392.503 3.909 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000128304137 868228845 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[O-]c1c(Br)cccc1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000775997055 875066096 /nfs/dbraw/zinc/06/60/96/875066096.db2.gz NRMRSEZYUBNMAR-UHFFFAOYSA-N 0 0 394.284 3.863 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@H](CO)c3ccccc3OC)c2C)cc1 ZINC000771138645 875069243 /nfs/dbraw/zinc/06/92/43/875069243.db2.gz DBRXHANJTJPAAS-OAQYLSRUSA-N 0 0 394.471 3.575 20 10 GHCDRN COc1cccc(O)c1CN1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000775995162 875087291 /nfs/dbraw/zinc/08/72/91/875087291.db2.gz CAHBKKRBOJSHQH-SFHVURJKSA-N 0 0 396.256 3.876 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[C@@]1(C)Br ZINC000528828874 875109407 /nfs/dbraw/zinc/10/94/07/875109407.db2.gz DQOVRBGCNMRMBF-BXUZGUMPSA-N 0 0 391.103 3.677 20 10 GHCDRN CC[C@@H](C)n1nc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1C ZINC000776031062 875228203 /nfs/dbraw/zinc/22/82/03/875228203.db2.gz VRCUDDXOXIOSRF-MRXNPFEDSA-N 0 0 385.512 3.663 20 10 GHCDRN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000771548615 875329860 /nfs/dbraw/zinc/32/98/60/875329860.db2.gz ZGBOVEBUASIYQK-KSFYIVLOSA-N 0 0 379.504 3.603 20 10 GHCDRN S=C(NCc1cccc(OC2CCOCC2)n1)Nc1ccccc1Cl ZINC001200871060 875372374 /nfs/dbraw/zinc/37/23/74/875372374.db2.gz ZIQZTJILKYTHOK-UHFFFAOYSA-N 0 0 377.897 3.779 20 10 GHCDRN Cc1cc(C(=O)NCC(C)(C)CO)c(C)n1-c1cccc(Br)c1 ZINC000771677911 875415330 /nfs/dbraw/zinc/41/53/30/875415330.db2.gz HUDMWTRVKWCTOO-UHFFFAOYSA-N 0 0 379.298 3.605 20 10 GHCDRN CCOC(=O)c1csc(=O)n1CC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000771750163 875435339 /nfs/dbraw/zinc/43/53/39/875435339.db2.gz LUEIVMAFGLDJFX-UHFFFAOYSA-N 0 0 398.484 3.685 20 10 GHCDRN CCc1nn(C)c(OC)c1CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000771797892 875466139 /nfs/dbraw/zinc/46/61/39/875466139.db2.gz BPEGXPXMDBUDJX-UHFFFAOYSA-N 0 0 380.492 3.637 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000858200979 882934063 /nfs/dbraw/zinc/93/40/63/882934063.db2.gz FPNLBYFYCKVTQF-FGZHOGPDSA-N 0 0 382.479 3.815 20 10 GHCDRN COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000771875507 875509802 /nfs/dbraw/zinc/50/98/02/875509802.db2.gz GZACOOHHQIQGOT-ZMZPIMSZSA-N 0 0 380.828 3.828 20 10 GHCDRN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1ccccc1SCc1cccs1 ZINC000121576328 875674854 /nfs/dbraw/zinc/67/48/54/875674854.db2.gz QHBGQHNUJCHDAA-ZIAGYGMSSA-N 0 0 395.571 3.688 20 10 GHCDRN Nc1ccc(N(c2ccc(N)cc2)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC001201467755 875702746 /nfs/dbraw/zinc/70/27/46/875702746.db2.gz UHVJKCMKUUJWNC-UHFFFAOYSA-N 0 0 394.500 3.762 20 10 GHCDRN O=C(COc1ccccc1F)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000005603441 875720853 /nfs/dbraw/zinc/72/08/53/875720853.db2.gz OYRCNEFSEOUVDM-UHFFFAOYSA-N 0 0 375.355 3.619 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@@H]2CCCN(C)C2=O)cc1 ZINC000772159379 875755803 /nfs/dbraw/zinc/75/58/03/875755803.db2.gz MXEYTQATDLYLJR-LJQANCHMSA-N 0 0 379.464 3.519 20 10 GHCDRN Cc1ccccc1Oc1cccc(S(=O)(=O)NCc2ccc(O)cc2O)c1 ZINC001201589209 875769158 /nfs/dbraw/zinc/76/91/58/875769158.db2.gz SKGHQPJRMURERJ-UHFFFAOYSA-N 0 0 385.441 3.677 20 10 GHCDRN COCCOc1cccc(CC(=O)NCc2ccc(N3CCCCC3)cc2)c1 ZINC000772222711 875782494 /nfs/dbraw/zinc/78/24/94/875782494.db2.gz UBJYIEROMQHOCJ-UHFFFAOYSA-N 0 0 382.504 3.561 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C3CC3)cc2)cc1F ZINC000772223153 875783804 /nfs/dbraw/zinc/78/38/04/875783804.db2.gz MTHTUTADYHIWAO-UHFFFAOYSA-N 0 0 383.467 3.804 20 10 GHCDRN CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(Oc3ccncc3)cc2)cc1 ZINC001201615057 875789771 /nfs/dbraw/zinc/78/97/71/875789771.db2.gz RITLYSRVXCDBIC-UHFFFAOYSA-N 0 0 397.500 3.761 20 10 GHCDRN Cn1ccnc1C[C@@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000776220635 875907676 /nfs/dbraw/zinc/90/76/76/875907676.db2.gz XZNFVGJQRPPMPT-MRXNPFEDSA-N 0 0 386.839 3.761 20 10 GHCDRN CCN(CC)c1ccc(CNS(=O)(=O)C2=Cc3ccccc3OCC2)cc1 ZINC000772454423 875946121 /nfs/dbraw/zinc/94/61/21/875946121.db2.gz SUDSUDBVPLGZRR-UHFFFAOYSA-N 0 0 386.517 3.776 20 10 GHCDRN COCCC(C)(C)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000776230534 875966538 /nfs/dbraw/zinc/96/65/38/875966538.db2.gz KNPBEVVMXDGUJH-UHFFFAOYSA-N 0 0 381.108 3.822 20 10 GHCDRN CCO[C@@H]1C[C@H](NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)[C@@H]1Oc1ccccc1 ZINC000776240614 876000711 /nfs/dbraw/zinc/00/07/11/876000711.db2.gz ZNQZHZVPNVZCDH-ZJMJOCHXSA-N 0 0 397.519 3.738 20 10 GHCDRN CCN(CC)c1ccc(CNc2ccc(OCCN3CCNC3=O)cc2C)cc1 ZINC001202126182 876011907 /nfs/dbraw/zinc/01/19/07/876011907.db2.gz GCTKSZOWPPIDAY-UHFFFAOYSA-N 0 0 396.535 3.857 20 10 GHCDRN C[C@@H](NC(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O)c1ccc(N(C)C)cc1 ZINC000776250252 876031002 /nfs/dbraw/zinc/03/10/02/876031002.db2.gz TUCULVBYHPQGBQ-DYESRHJHSA-N 0 0 394.519 3.651 20 10 GHCDRN O=C(NCc1nc(C(F)(F)F)n[nH]1)N(Cc1ccccc1O)C1CCCCC1 ZINC000776255993 876032713 /nfs/dbraw/zinc/03/27/13/876032713.db2.gz IOEKNTKOEKBRKR-UHFFFAOYSA-N 0 0 397.401 3.574 20 10 GHCDRN COc1ccc(=O)n(CC(=O)c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)n1 ZINC000794441499 876070578 /nfs/dbraw/zinc/07/05/78/876070578.db2.gz SMWGOBHZIJXDQT-UHFFFAOYSA-N 0 0 393.487 3.840 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N3CCc4ccccc4[C@@H]3C)CC2)cc1 ZINC000106556752 876103616 /nfs/dbraw/zinc/10/36/16/876103616.db2.gz IMDHVDAYFQLROH-KRWDZBQOSA-N 0 0 379.504 3.993 20 10 GHCDRN O=C(Nc1ccc(Br)cc1)N1CCCc2cc(O)c(O)cc2C1 ZINC001202333473 876146862 /nfs/dbraw/zinc/14/68/62/876146862.db2.gz QLAALNSCMNAYHW-UHFFFAOYSA-N 0 0 377.238 3.841 20 10 GHCDRN CC(=O)c1csc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1 ZINC000106759283 876243272 /nfs/dbraw/zinc/24/32/72/876243272.db2.gz LMFVCEOISMCOGY-IBGZPJMESA-N 0 0 386.517 3.838 20 10 GHCDRN COc1ncc(/C=C/C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000776311705 876243362 /nfs/dbraw/zinc/24/33/62/876243362.db2.gz SOYIDPBIOBLQSD-QPJJXVBHSA-N 0 0 388.811 3.503 20 10 GHCDRN Oc1ccccc1CN(Cc1ncc(Br)cc1F)C[C@H]1CCCO1 ZINC000529518110 876261301 /nfs/dbraw/zinc/26/13/01/876261301.db2.gz PXBCCSWPRRVWIS-OAHLLOKOSA-N 0 0 395.272 3.870 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000785927354 876327204 /nfs/dbraw/zinc/32/72/04/876327204.db2.gz ZISGGKUXWKNZPN-LJQANCHMSA-N 0 0 387.524 3.638 20 10 GHCDRN COc1ccc(N2CCC(NC(=S)N[C@H](C)Cc3ccccc3)CC2)cc1 ZINC000786073417 876415053 /nfs/dbraw/zinc/41/50/53/876415053.db2.gz LBUQSPPWEIGFNQ-QGZVFWFLSA-N 0 0 383.561 3.759 20 10 GHCDRN CC(=O)N1CCN(c2ccc(CNc3ncnc4cc(Cl)ccc43)cc2)CC1 ZINC000786037217 876422428 /nfs/dbraw/zinc/42/24/28/876422428.db2.gz NKQZFVVKHHOFGC-UHFFFAOYSA-N 0 0 395.894 3.564 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(CSc3nccn3C)o2)c1 ZINC000728982663 876438816 /nfs/dbraw/zinc/43/88/16/876438816.db2.gz NZFOWKBXYKPNDM-GFCCVEGCSA-N 0 0 387.461 3.511 20 10 GHCDRN CC(=O)Nc1ccc(O)c(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000108453795 876472173 /nfs/dbraw/zinc/47/21/73/876472173.db2.gz MHMOOTXYUYVHGZ-UHFFFAOYSA-N 0 0 381.476 3.517 20 10 GHCDRN CCCO[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000108565499 876490176 /nfs/dbraw/zinc/49/01/76/876490176.db2.gz CBMBLHQUGDXKFR-GHTZIAJQSA-N 0 0 389.540 3.575 20 10 GHCDRN CCCCSc1nnc(SCC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000007098571 876526373 /nfs/dbraw/zinc/52/63/73/876526373.db2.gz AGHXABZEZVQESJ-UHFFFAOYSA-N 0 0 396.607 3.905 20 10 GHCDRN O=C(Cc1ccc(Cl)cn1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000786246551 876549811 /nfs/dbraw/zinc/54/98/11/876549811.db2.gz VDRWWQCPIYXWKO-OAHLLOKOSA-N 0 0 395.837 3.664 20 10 GHCDRN O=C(Cc1ccc(Cl)cn1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000786246549 876550243 /nfs/dbraw/zinc/55/02/43/876550243.db2.gz VDRWWQCPIYXWKO-HNNXBMFYSA-N 0 0 395.837 3.664 20 10 GHCDRN COc1ccc(CN(C)C(=O)[C@@H](C)Sc2ncc(Cl)s2)cc1OC ZINC000849998931 876584038 /nfs/dbraw/zinc/58/40/38/876584038.db2.gz KQVRBWMRIQEDJL-SNVBAGLBSA-N 0 0 386.926 3.953 20 10 GHCDRN NC(=O)c1c2c(sc1NC(=O)CSc1ncc(Cl)s1)CCCC2 ZINC000849998170 876584067 /nfs/dbraw/zinc/58/40/67/876584067.db2.gz KYBSAGIJYRMJEO-UHFFFAOYSA-N 0 0 387.939 3.567 20 10 GHCDRN CC(C)(C(=O)CSc1ncc(Cl)s1)N1C(=O)c2ccccc2C1=O ZINC000850000414 876585222 /nfs/dbraw/zinc/58/52/22/876585222.db2.gz UDLBIWYLWCNZFO-UHFFFAOYSA-N 0 0 380.878 3.533 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)CN(C)Cc2ccc3ccccc3c2)cc1 ZINC000007218886 876596677 /nfs/dbraw/zinc/59/66/77/876596677.db2.gz RINYOVKCYFPVCR-UHFFFAOYSA-N 0 0 375.516 3.996 20 10 GHCDRN Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000786581941 876769921 /nfs/dbraw/zinc/76/99/21/876769921.db2.gz JQQSXPSAYHZZTJ-WFASDCNBSA-N 0 0 382.273 3.856 20 10 GHCDRN COc1cc(O)c(CN2CCOc3ccc(Br)cc32)cc1OC ZINC000786574474 876806653 /nfs/dbraw/zinc/80/66/53/876806653.db2.gz CLQIJZMCDIXNRG-UHFFFAOYSA-N 0 0 380.238 3.571 20 10 GHCDRN Cc1cccc(C[C@H](CO)[NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])c1 ZINC000786574844 876806697 /nfs/dbraw/zinc/80/66/97/876806697.db2.gz HCVDZPUTWKERLE-IUODEOHRSA-N 0 0 382.273 3.856 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)c1 ZINC000850419261 876900271 /nfs/dbraw/zinc/90/02/71/876900271.db2.gz HNGQATNVXZIOGQ-AWEZNQCLSA-N 0 0 390.199 3.704 20 10 GHCDRN Cc1cscc1CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000787002338 877074334 /nfs/dbraw/zinc/07/43/34/877074334.db2.gz WQVAVRRHDYUJPQ-HUUCEWRRSA-N 0 0 391.512 3.809 20 10 GHCDRN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@H](C)[C@H]1O ZINC000850636130 877084343 /nfs/dbraw/zinc/08/43/43/877084343.db2.gz BOBFZUDEAPQHKR-QWHZDKJVSA-N 0 0 380.448 3.516 20 10 GHCDRN COc1ccc(N2CCC(Nc3ccc(C)c(N4CCNC4=O)c3)CC2)cc1 ZINC000786980661 877086419 /nfs/dbraw/zinc/08/64/19/877086419.db2.gz NECLQIJCLMMIEY-UHFFFAOYSA-N 0 0 380.492 3.614 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CCCN1c1ccccc1 ZINC000787054506 877145823 /nfs/dbraw/zinc/14/58/23/877145823.db2.gz SGOJEHVFJPZJEE-OAQYLSRUSA-N 0 0 381.545 3.525 20 10 GHCDRN CN1CCCc2cc(CNC(=O)N3CCC[C@H]3C[C@H](O)c3cccs3)ccc21 ZINC000175466658 877190081 /nfs/dbraw/zinc/19/00/81/877190081.db2.gz YFNHKJLQLDXIME-ICSRJNTNSA-N 0 0 399.560 3.928 20 10 GHCDRN CO[C@H](C)c1nc(-c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cs1 ZINC000175507498 877232069 /nfs/dbraw/zinc/23/20/69/877232069.db2.gz PIHJQSRGTQKAOT-CYBMUJFWSA-N 0 0 391.518 3.572 20 10 GHCDRN C[C@]1(Cc2cccc3ccccc32)CCCN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000850859258 877236597 /nfs/dbraw/zinc/23/65/97/877236597.db2.gz MJTUOZVRKHLRMR-XMMPIXPASA-N 0 0 387.483 3.984 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1C[C@]12CCc1ccccc12 ZINC000175520920 877242666 /nfs/dbraw/zinc/24/26/66/877242666.db2.gz NOKCZFVOTDJGSB-GGAORHGYSA-N 0 0 378.541 3.760 20 10 GHCDRN Oc1cc(OCc2ccccc2)ccc1CNCc1ncnn1-c1ccccc1 ZINC000787296428 877299610 /nfs/dbraw/zinc/29/96/10/877299610.db2.gz LRYUQNZWDNWQBV-UHFFFAOYSA-N 0 0 386.455 3.842 20 10 GHCDRN Cc1ccc(N2CCNC2=O)cc1NCc1cc(Br)cc(C)c1O ZINC000787308299 877334232 /nfs/dbraw/zinc/33/42/32/877334232.db2.gz BGSYVWMRIBCNPQ-UHFFFAOYSA-N 0 0 390.281 3.913 20 10 GHCDRN C[C@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)Sc1ccccc1 ZINC000761480226 877396859 /nfs/dbraw/zinc/39/68/59/877396859.db2.gz QARICJJKQRPZFP-CYBMUJFWSA-N 0 0 390.892 3.991 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3cc(C)cnc3Cl)CC2)cc1F ZINC000787456638 877415715 /nfs/dbraw/zinc/41/57/15/877415715.db2.gz CUITYFABQHPZTQ-UHFFFAOYSA-N 0 0 378.835 3.545 20 10 GHCDRN CN(CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)Cc1ccccc1O ZINC000109771220 877428894 /nfs/dbraw/zinc/42/88/94/877428894.db2.gz DBERPOSGFXKNIM-KRWDZBQOSA-N 0 0 395.484 3.856 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)c1 ZINC000175668931 877441628 /nfs/dbraw/zinc/44/16/28/877441628.db2.gz HDWXZUDOYINXQF-UKRRQHHQSA-N 0 0 389.883 3.693 20 10 GHCDRN Cc1cc(C)n(-c2ccc(NC(=O)NCc3ccc4c(c3)CCCN4C)cn2)n1 ZINC000746706390 877575378 /nfs/dbraw/zinc/57/53/78/877575378.db2.gz RTIUSKDSFHNPTQ-UHFFFAOYSA-N 0 0 390.491 3.588 20 10 GHCDRN CN(C)c1ccc(CNC(=O)Nc2nc(CN3CCCCC3)cs2)cc1F ZINC000746708732 877697935 /nfs/dbraw/zinc/69/79/35/877697935.db2.gz UIGYPKYGZTVCLG-UHFFFAOYSA-N 0 0 391.516 3.656 20 10 GHCDRN C/C=C/c1ccc(OC[C@H](O)CN(C)c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000067984723 877730036 /nfs/dbraw/zinc/73/00/36/877730036.db2.gz ZGIQQNFAHXTGII-IPLHWJFFSA-N 0 0 387.476 3.622 20 10 GHCDRN CN(C)c1ccc(CNC(=O)NCc2ccc(OC3CCCC3)nc2)cc1F ZINC000746722679 877766983 /nfs/dbraw/zinc/76/69/83/877766983.db2.gz ZKCNVYLNHGZQTF-UHFFFAOYSA-N 0 0 386.471 3.608 20 10 GHCDRN NC(=O)c1cc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)ccc1F ZINC000110088746 877836708 /nfs/dbraw/zinc/83/67/08/877836708.db2.gz CXUNYTWKAKQVQN-UHFFFAOYSA-N 0 0 385.439 3.997 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1Cl ZINC000851910880 877971443 /nfs/dbraw/zinc/97/14/43/877971443.db2.gz FXYLRLMRVNSLBY-HNNXBMFYSA-N 0 0 387.911 3.862 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CCSc2ccccc21 ZINC000851938630 877989699 /nfs/dbraw/zinc/98/96/99/877989699.db2.gz VLHRVHLXDDJLFT-HXUWFJFHSA-N 0 0 397.544 3.684 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)NCc3cccc(OC(C)C)c3)C2)cc1 ZINC000851963941 878004159 /nfs/dbraw/zinc/00/41/59/878004159.db2.gz SGFNXTRDQNNDAQ-GOSISDBHSA-N 0 0 383.492 3.561 20 10 GHCDRN C[C@H](NC(=O)N1CCOc2ccccc2[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000852012509 878031931 /nfs/dbraw/zinc/03/19/31/878031931.db2.gz KRQKDXLTJCZTMP-ROUUACIJSA-N 0 0 395.503 3.749 20 10 GHCDRN Cc1cncc(CCNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)n1 ZINC000852020628 878037488 /nfs/dbraw/zinc/03/74/88/878037488.db2.gz IODWWAGSNJOMJN-UHFFFAOYSA-N 0 0 381.524 3.596 20 10 GHCDRN CC(C)(CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(F)cc1 ZINC000852056893 878053888 /nfs/dbraw/zinc/05/38/88/878053888.db2.gz SCCBMSGFGQSZLD-UHFFFAOYSA-N 0 0 399.510 3.564 20 10 GHCDRN Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])cc1F ZINC000788521309 878125959 /nfs/dbraw/zinc/12/59/59/878125959.db2.gz VQGPPSRBRIZULU-GFCCVEGCSA-N 0 0 384.373 3.939 20 10 GHCDRN CCOCCC1(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCCC1 ZINC000852204387 878141643 /nfs/dbraw/zinc/14/16/43/878141643.db2.gz QRJLNPGJPSOAKJ-SFHVURJKSA-N 0 0 389.540 3.560 20 10 GHCDRN CCC(CC)[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCO1 ZINC000852246540 878168524 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ZINC000747249721 883903060 /nfs/dbraw/zinc/90/30/60/883903060.db2.gz DJIDVTPSVFLPJX-UHFFFAOYSA-N 0 0 381.501 3.654 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2cnn(C)c2C2CC2)c(C)n1-c1cccc(F)c1 ZINC000747253447 883908335 /nfs/dbraw/zinc/90/83/35/883908335.db2.gz MUPQSNCSRMAQGS-UHFFFAOYSA-N 0 0 395.434 3.884 20 10 GHCDRN C[C@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc[nH]1 ZINC000760358294 883999010 /nfs/dbraw/zinc/99/90/10/883999010.db2.gz UEPCWPXCALILER-KBPBESRZSA-N 0 0 378.423 3.645 20 10 GHCDRN CCO[C@@H](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C(C)C ZINC000760382993 884023472 /nfs/dbraw/zinc/02/34/72/884023472.db2.gz WHFNGFMHBWJCLR-YRNRMSPPSA-N 0 0 380.504 3.507 20 10 GHCDRN CNc1ccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 ZINC000859743381 884027199 /nfs/dbraw/zinc/02/71/99/884027199.db2.gz BBIPLUDMTPDBGD-HUUCEWRRSA-N 0 0 386.471 3.803 20 10 GHCDRN CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001275236244 912779444 /nfs/dbraw/zinc/77/94/44/912779444.db2.gz 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393.578 3.821 20 10 GHCDRN C[C@H](NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000774696313 912900793 /nfs/dbraw/zinc/90/07/93/912900793.db2.gz SEBNPNJWLQIKTB-HOTGVXAUSA-N 0 0 398.463 3.553 20 10 GHCDRN CC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000914906129 885141762 /nfs/dbraw/zinc/14/17/62/885141762.db2.gz LBZMTVRKFVSOAG-QZTJIDSGSA-N 0 0 383.492 3.826 20 10 GHCDRN Cc1cc(C(=O)OCC(=O)N[C@@H](C)c2cccs2)c(C)n1-c1ccccn1 ZINC000914905480 885141824 /nfs/dbraw/zinc/14/18/24/885141824.db2.gz IKVQXIHBHSALEX-AWEZNQCLSA-N 0 0 383.473 3.585 20 10 GHCDRN CC[C@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000914906130 885141892 /nfs/dbraw/zinc/14/18/92/885141892.db2.gz LBZMTVRKFVSOAG-ROUUACIJSA-N 0 0 383.492 3.826 20 10 GHCDRN CNC(=O)C[C@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])c1ccccc1 ZINC000795850317 912907887 /nfs/dbraw/zinc/90/78/87/912907887.db2.gz XWVRMZYEXHLXLX-ZBEGNZNMSA-N 0 0 395.272 3.822 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)N[C@@H](c1cccnc1)C1CC1 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Cc1cc(C(=O)N2CC[C@H](n3cncn3)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000777217666 885790926 /nfs/dbraw/zinc/79/09/26/885790926.db2.gz RKHGJKNYADHMQB-FQEVSTJZSA-N 0 0 377.492 3.896 20 10 GHCDRN COc1cccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1C ZINC000861820306 885892685 /nfs/dbraw/zinc/89/26/85/885892685.db2.gz UDWBKVJVWVHCEF-UHFFFAOYSA-N 0 0 381.476 3.748 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000861843725 885920628 /nfs/dbraw/zinc/92/06/28/885920628.db2.gz DASLKJKSKZZZDT-FYYLOGMGSA-N 0 0 378.472 3.690 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCC(C)(C)c2ccccn2)cc1 ZINC000861863041 885934185 /nfs/dbraw/zinc/93/41/85/885934185.db2.gz KMDMFVNOKGBTEX-UHFFFAOYSA-N 0 0 389.499 3.938 20 10 GHCDRN CO[C@@H](C)C(=O)OCC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000919595041 885971893 /nfs/dbraw/zinc/97/18/93/885971893.db2.gz JICVYUYSXBEFLL-ZDUSSCGKSA-N 0 0 394.265 3.617 20 10 GHCDRN Cc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)nn1C ZINC000919589027 885974953 /nfs/dbraw/zinc/97/49/53/885974953.db2.gz MCFPTHRNUPKHQO-UHFFFAOYSA-N 0 0 383.423 3.623 20 10 GHCDRN CO[C@H](C)C(=O)O[C@@H](C)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C ZINC000919593323 885985414 /nfs/dbraw/zinc/98/54/14/885985414.db2.gz DGKLKROBCGVNDM-UONOGXRCSA-N 0 0 395.402 3.845 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cn(C)nc1-c1ccccc1Cl ZINC000808094323 886012574 /nfs/dbraw/zinc/01/25/74/886012574.db2.gz KAFLGEGKAIKJIV-UHFFFAOYSA-N 0 0 390.867 3.862 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC000808096294 886013919 /nfs/dbraw/zinc/01/39/19/886013919.db2.gz GFTIQOVPCUIGQO-UHFFFAOYSA-N 0 0 384.476 3.670 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCc2ccc(C)c(C)n2)cc1 ZINC000861949098 886021641 /nfs/dbraw/zinc/02/16/41/886021641.db2.gz ITWWJLPEOJENMO-UHFFFAOYSA-N 0 0 375.472 3.777 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H](C)c1noc(C(F)F)n1 ZINC000861960858 886030381 /nfs/dbraw/zinc/03/03/81/886030381.db2.gz OQEOGCUEFKSCAJ-NSHDSACASA-N 0 0 388.374 3.718 20 10 GHCDRN Cc1cc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c(C)n1-c1cnccn1 ZINC000862002378 886045137 /nfs/dbraw/zinc/04/51/37/886045137.db2.gz RLPVKYFHMHSZAO-MRXNPFEDSA-N 0 0 391.519 3.620 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cc1cc(C(F)(F)F)ccn1 ZINC000862002961 886045166 /nfs/dbraw/zinc/04/51/66/886045166.db2.gz XGJSCDRWJMRTKE-CQSZACIVSA-N 0 0 379.426 3.765 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCc2ccc3cccnc3c2O)CC1 ZINC000862025688 886061729 /nfs/dbraw/zinc/06/17/29/886061729.db2.gz ZXWJRRQPEVVDJO-INIZCTEOSA-N 0 0 399.491 3.594 20 10 GHCDRN CCCc1nc2ccccc2n1CCC(=O)NCc1ccc2cccnc2c1O ZINC000862027495 886064053 /nfs/dbraw/zinc/06/40/53/886064053.db2.gz UYZPVRBUSNBQIJ-UHFFFAOYSA-N 0 0 388.471 3.949 20 10 GHCDRN CCOc1ccc(OCCCC(=O)NCc2ccc3cccnc3c2O)cc1 ZINC000862028801 886065158 /nfs/dbraw/zinc/06/51/58/886065158.db2.gz KWWJLEQENPEOGY-UHFFFAOYSA-N 0 0 380.444 3.815 20 10 GHCDRN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)NCc1ccc2cccnc2c1O ZINC000862028005 886065186 /nfs/dbraw/zinc/06/51/86/886065186.db2.gz MTYIRXJCCAJERR-AWEZNQCLSA-N 0 0 389.459 3.895 20 10 GHCDRN O=C(NCc1ccc2cccnc2c1O)C1(c2cccc(Cl)c2)CCOCC1 ZINC000862028098 886065362 /nfs/dbraw/zinc/06/53/62/886065362.db2.gz PPZGZNVQPXUPJO-UHFFFAOYSA-N 0 0 396.874 3.958 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@H]3[C@@H]4c5ccc(Cl)cc5C[C@H]34)C2)cc1 ZINC000862035133 886070482 /nfs/dbraw/zinc/07/04/82/886070482.db2.gz JTUCMJYWTUJIQP-MVMQPQNDSA-N 0 0 396.918 3.877 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)Cc3ccc(F)c(Cl)c3)C2)cc1 ZINC000862035013 886070886 /nfs/dbraw/zinc/07/08/86/886070886.db2.gz GFKJEPVIDGJHAP-OAHLLOKOSA-N 0 0 376.859 3.673 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)c(C)n1-c1cccc(C)c1 ZINC000118686897 886072653 /nfs/dbraw/zinc/07/26/53/886072653.db2.gz YDXQUVGSDRIGQZ-HXUWFJFHSA-N 0 0 394.496 3.661 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000862039735 886073977 /nfs/dbraw/zinc/07/39/77/886073977.db2.gz NBZBCHLAJCXBDC-RTBURBONSA-N 0 0 385.435 3.617 20 10 GHCDRN COC(=O)CC1CCN(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000919654495 886076184 /nfs/dbraw/zinc/07/61/84/886076184.db2.gz GIZVIARDOIURPP-UHFFFAOYSA-N 0 0 397.519 3.621 20 10 GHCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000862117716 886130445 /nfs/dbraw/zinc/13/04/45/886130445.db2.gz ZJZZAMBWSOSROI-RTBURBONSA-N 0 0 378.432 3.724 20 10 GHCDRN O=C(c1ccccc1)c1ccc(O)c(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c1[O-] ZINC000747470204 886160470 /nfs/dbraw/zinc/16/04/70/886160470.db2.gz ACASLDQETXWSEV-HSZRJFAPSA-N 0 0 381.472 3.721 20 10 GHCDRN C[C@@H]1Oc2ccccc2[C@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000808237986 886170414 /nfs/dbraw/zinc/17/04/14/886170414.db2.gz NFRUEAZWJPQGFC-YWZLYKJASA-N 0 0 383.517 3.561 20 10 GHCDRN Cn1nnnc1-c1ccc(NC(=O)C2=S=C3CC[C@@H](C(C)(C)C)CC3=C2)cc1 ZINC001131222520 886213676 /nfs/dbraw/zinc/21/36/76/886213676.db2.gz ZSJCTLCBCXNCAS-OAHLLOKOSA-N 0 0 395.532 3.680 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000862226166 886224141 /nfs/dbraw/zinc/22/41/41/886224141.db2.gz UUHIMYMXESTAHM-KSEOMHKRSA-N 0 0 396.918 3.503 20 10 GHCDRN CC(C)COc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000919724718 886228343 /nfs/dbraw/zinc/22/83/43/886228343.db2.gz AJXQLSZPKCSGOZ-UHFFFAOYSA-N 0 0 388.533 3.800 20 10 GHCDRN COc1cccc([C@H]2CN(Cc3c(O)cccc3Br)CCO2)c1 ZINC000862239040 886238053 /nfs/dbraw/zinc/23/80/53/886238053.db2.gz SNQRYJBVMJDONW-GOSISDBHSA-N 0 0 378.266 3.737 20 10 GHCDRN Cc1cc(C(=O)NCC(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccccn1 ZINC000919760166 886309708 /nfs/dbraw/zinc/30/97/08/886309708.db2.gz WFSXILAKQHHPDB-UHFFFAOYSA-N 0 0 382.851 3.511 20 10 GHCDRN O=C(COc1c(Cl)cccc1Cl)NCc1ccc(N2CCOCC2)cc1 ZINC000919766555 886325923 /nfs/dbraw/zinc/32/59/23/886325923.db2.gz DLTNZIKMYIHEBC-UHFFFAOYSA-N 0 0 395.286 3.525 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000919767545 886326138 /nfs/dbraw/zinc/32/61/38/886326138.db2.gz RXRYBOYEUCZINO-UHFFFAOYSA-N 0 0 397.862 3.762 20 10 GHCDRN O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000808422042 886342375 /nfs/dbraw/zinc/34/23/75/886342375.db2.gz FAMMQMCNHQFMBE-SNVBAGLBSA-N 0 0 382.785 3.608 20 10 GHCDRN O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCC1CC=CC1 ZINC000862627651 886499691 /nfs/dbraw/zinc/49/96/91/886499691.db2.gz KAIJSYVXVCGPRO-RVDMUPIBSA-N 0 0 392.571 3.812 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000762645848 886590293 /nfs/dbraw/zinc/59/02/93/886590293.db2.gz PSHXEOUARFCRBP-UHFFFAOYSA-N 0 0 383.492 3.691 20 10 GHCDRN CC(C)n1ncc2cc(C=CC(=O)N3CCc4c3cccc4Cl)c(=O)[nH]c21 ZINC000119102877 886645792 /nfs/dbraw/zinc/64/57/92/886645792.db2.gz DDMQEZQPAZVXTH-VOTSOKGWSA-N 0 0 382.851 3.561 20 10 GHCDRN CN(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CCC(C)(C)CC1 ZINC000119173790 886754971 /nfs/dbraw/zinc/75/49/71/886754971.db2.gz BFUPKCOKOXTNIT-UHFFFAOYSA-N 0 0 391.531 3.897 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3cnn(CCC(C)C)c3C)CC2)cc1 ZINC000119259410 886870931 /nfs/dbraw/zinc/87/09/31/886870931.db2.gz QTEWJHMSNNDZMO-UHFFFAOYSA-N 0 0 384.524 3.645 20 10 GHCDRN Cc1cc(CNC(=O)CCCc2nc(C3CC3)no2)c(C)n1-c1ccccc1 ZINC000863166315 886901614 /nfs/dbraw/zinc/90/16/14/886901614.db2.gz XLNCKCQTMFJCJO-UHFFFAOYSA-N 0 0 378.476 3.994 20 10 GHCDRN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CC(C2CC2)C1 ZINC000794500874 886964702 /nfs/dbraw/zinc/96/47/02/886964702.db2.gz ZMYSYLKGANCYPU-DHDCSXOGSA-N 0 0 392.571 3.598 20 10 GHCDRN COC(=O)[C@H](NCc1cc(OC)cc(C(C)(C)C)c1O)c1ccc2c(c1)CCO2 ZINC000825563175 886981090 /nfs/dbraw/zinc/98/10/90/886981090.db2.gz UOTAJANNXIECOT-HXUWFJFHSA-N 0 0 399.487 3.637 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1F ZINC000747547772 887187876 /nfs/dbraw/zinc/18/78/76/887187876.db2.gz RBVKKACTLUJFMI-UHFFFAOYSA-N 0 0 382.443 3.574 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000915688078 887305661 /nfs/dbraw/zinc/30/56/61/887305661.db2.gz HHWLDYIRZLQOTH-FQEVSTJZSA-N 0 0 398.576 3.985 20 10 GHCDRN Oc1cccc2c1CN(Cc1cccc(I)c1F)CC2 ZINC001235485446 887383469 /nfs/dbraw/zinc/38/34/69/887383469.db2.gz VCSTZJVBKJQPQH-UHFFFAOYSA-N 0 0 383.204 3.694 20 10 GHCDRN Cc1cscc1CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000809407697 887407734 /nfs/dbraw/zinc/40/77/34/887407734.db2.gz KEBKZHFSBGYOQS-UHFFFAOYSA-N 0 0 386.517 3.740 20 10 GHCDRN Cc1ccccc1[C@H]1C(=O)NCCN1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000863949414 887478077 /nfs/dbraw/zinc/47/80/77/887478077.db2.gz HAMXAZLQDPJZNB-QHCPKHFHSA-N 0 0 377.532 3.967 20 10 GHCDRN Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c(C)n1-c1ccccc1C ZINC000131590064 887555629 /nfs/dbraw/zinc/55/56/29/887555629.db2.gz DOSCAWCBFWURBN-GHTZIAJQSA-N 0 0 379.504 3.533 20 10 GHCDRN C[C@H]1c2nnc(C3CCCC3)n2CCN1Cc1cc(Br)ccc1O ZINC000809769097 887756161 /nfs/dbraw/zinc/75/61/61/887756161.db2.gz GTNXGJHRKNOVGO-LBPRGKRZSA-N 0 0 391.313 3.981 20 10 GHCDRN COc1ccc(O)c(CNC(=O)N[C@H](c2cccc(F)c2)c2ccccn2)c1 ZINC000133589943 887779205 /nfs/dbraw/zinc/77/92/05/887779205.db2.gz MLWFXJUPFDQHBU-HXUWFJFHSA-N 0 0 381.407 3.524 20 10 GHCDRN C[C@H]1CN(Cc2cc(Br)ccc2O)c2ccccc2N(C)C1=O ZINC000809785759 887836266 /nfs/dbraw/zinc/83/62/66/887836266.db2.gz AVQDOCUAMJJBJS-LBPRGKRZSA-N 0 0 375.266 3.774 20 10 GHCDRN Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)C(=O)/C=C/c2cnccn2)c1 ZINC000729658226 887870255 /nfs/dbraw/zinc/87/02/55/887870255.db2.gz RWLAJDIFLZXBEU-CMDGGOBGSA-N 0 0 386.455 3.779 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)Cc2csc(CCC(F)(F)F)n2)cc1 ZINC000864633145 887897680 /nfs/dbraw/zinc/89/76/80/887897680.db2.gz AEBBRMQCANGRSL-UHFFFAOYSA-N 0 0 385.455 3.905 20 10 GHCDRN COc1ccc(N2CCN(C(=O)[C@H]3CCN(c4ccccc4Cl)C3)CC2)cc1 ZINC000809940989 887994845 /nfs/dbraw/zinc/99/48/45/887994845.db2.gz UNWWMHSLJOLCFA-KRWDZBQOSA-N 0 0 399.922 3.524 20 10 GHCDRN Cc1cc(CCNC(=O)[C@@H]2C[C@]2(C)Br)c(C)n1-c1ccccc1 ZINC001132015697 888080387 /nfs/dbraw/zinc/08/03/87/888080387.db2.gz ZXRDLCVCQRVDBY-HKUYNNGSSA-N 0 0 375.310 3.926 20 10 GHCDRN Cc1cc(CNC(=O)[C@H]2CCCc3nn(C)cc32)c(C)n1-c1cccc(C)c1 ZINC001132044433 888105161 /nfs/dbraw/zinc/10/51/61/888105161.db2.gz SIVLKISTMMSZFU-FQEVSTJZSA-N 0 0 376.504 3.872 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)c3nnc(C(C)C)[nH]3)c2C)cc1 ZINC000763197333 888229091 /nfs/dbraw/zinc/22/90/91/888229091.db2.gz OVVOGWVQWWWIEF-AWEZNQCLSA-N 0 0 381.480 3.835 20 10 GHCDRN CCn1c2cccc(F)c2nc1/C(Cl)=C/c1cn(C[C@@H]2CCOC2)nn1 ZINC000865217609 888251347 /nfs/dbraw/zinc/25/13/47/888251347.db2.gz LHGBTEGYQGBNPK-QENILXLESA-N 0 0 375.835 3.560 20 10 GHCDRN CCn1c2cccc(F)c2nc1/C(Cl)=C\c1cn(C[C@@H]2CCCO2)nn1 ZINC000865219176 888252584 /nfs/dbraw/zinc/25/25/84/888252584.db2.gz VRAPESGREDFHBQ-FYQHACEVSA-N 0 0 375.835 3.703 20 10 GHCDRN CC[C@H](Nc1ccc(OC)c(-n2cnnn2)c1)c1ccc(C(F)(F)F)cc1O ZINC000810235485 888311942 /nfs/dbraw/zinc/31/19/42/888311942.db2.gz QQZJTNGUYYEYJJ-AWEZNQCLSA-N 0 0 393.369 3.959 20 10 GHCDRN COc1ccc(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])c(OC)n1 ZINC000810261671 888325377 /nfs/dbraw/zinc/32/53/77/888325377.db2.gz XQVHFVDLCPBJNL-VIFPVBQESA-N 0 0 385.233 3.557 20 10 GHCDRN CN1CCCc2cc(CNC(=O)c3cc(Cl)ncc3Br)ccc21 ZINC000810266219 888329856 /nfs/dbraw/zinc/32/98/56/888329856.db2.gz IAGQFPKLIRCUGK-UHFFFAOYSA-N 0 0 394.700 3.810 20 10 GHCDRN CCn1cnc2c1nc(Cl)nc2N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000865425369 888342844 /nfs/dbraw/zinc/34/28/44/888342844.db2.gz OPKUVPYPTDBRPG-UHFFFAOYSA-N 0 0 379.855 3.670 20 10 GHCDRN Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)nn1C1CCCCC1 ZINC000810300664 888365762 /nfs/dbraw/zinc/36/57/62/888365762.db2.gz BTKAMRZMGDYNPB-UHFFFAOYSA-N 0 0 397.523 3.855 20 10 GHCDRN CC[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287290191 913239698 /nfs/dbraw/zinc/23/96/98/913239698.db2.gz BXFPAVKNVJMTMM-WFASDCNBSA-N 0 0 376.280 3.662 20 10 GHCDRN O=C([C@@H]1CCN(c2ccccc2F)C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000810369147 888435252 /nfs/dbraw/zinc/43/52/52/888435252.db2.gz OJLLLVSOPNLAIT-RTBURBONSA-N 0 0 398.478 3.565 20 10 GHCDRN CC[C@@H]1[C@@H](C(=O)N[C@@H](C)c2cc(OC)ccc2O)CCN1C(=O)OC(C)(C)C ZINC000810348227 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COc1ccc(O)c([C@H](C)NC(=O)CCOc2cccc(Br)c2)c1 ZINC000153863219 888747288 /nfs/dbraw/zinc/74/72/88/888747288.db2.gz XPEIOAUVOWKJOJ-LBPRGKRZSA-N 0 0 394.265 3.810 20 10 GHCDRN C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccncc1 ZINC000866137598 888749370 /nfs/dbraw/zinc/74/93/70/888749370.db2.gz BSALNDFMVWWOOD-GOEBONIOSA-N 0 0 375.419 3.572 20 10 GHCDRN CCOC1CC2(C[C@@H]2C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000866138838 888750469 /nfs/dbraw/zinc/75/04/69/888750469.db2.gz PFOVNBHMPAZAER-QHPYWPBHSA-N 0 0 394.462 3.578 20 10 GHCDRN C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)NCCCSc1nccs1 ZINC000120981669 888801629 /nfs/dbraw/zinc/80/16/29/888801629.db2.gz SRWJZZLCSQIJLG-IUODEOHRSA-N 0 0 383.514 3.576 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1c(C)nn(C)c1Cl ZINC000120986688 888804547 /nfs/dbraw/zinc/80/45/47/888804547.db2.gz CDLFQIJNQJKIFU-UHFFFAOYSA-N 0 0 386.677 3.512 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@H](c3nccs3)C2)c1 ZINC000916279198 888886814 /nfs/dbraw/zinc/88/68/14/888886814.db2.gz BERAJXLNTDJBLA-KRWDZBQOSA-N 0 0 379.485 3.993 20 10 GHCDRN COc1ccc(OC)c2c1CN(Cc1ccc(N3CCCCC3)cc1)C[C@H]2O ZINC000121081286 888906330 /nfs/dbraw/zinc/90/63/30/888906330.db2.gz IQOJYTMMLMMIJA-HXUWFJFHSA-N 0 0 382.504 3.743 20 10 GHCDRN C[C@H]([NH2+]Cc1ccc(CN2CCNC2=O)cc1)c1cccc(C(F)(F)F)c1[O-] ZINC000866575827 888945960 /nfs/dbraw/zinc/94/59/60/888945960.db2.gz FNEPXCKFHBYFJA-ZDUSSCGKSA-N 0 0 393.409 3.787 20 10 GHCDRN CCC(=O)Nc1cccc(CNC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000916381496 888948700 /nfs/dbraw/zinc/94/87/00/888948700.db2.gz JWMQVCQQKJGOSP-UHFFFAOYSA-N 0 0 380.492 3.635 20 10 GHCDRN CC(C)(C)SCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000916456748 889019082 /nfs/dbraw/zinc/01/90/82/889019082.db2.gz PHVUWSHJKVMZNV-UHFFFAOYSA-N 0 0 390.471 3.690 20 10 GHCDRN CN1C(=O)/C(=C\c2nccn2Cc2ccccc2)c2cc(Br)cnc21 ZINC000794954526 889045787 /nfs/dbraw/zinc/04/57/87/889045787.db2.gz UXZXMOJPVLGFLE-YBEGLDIGSA-N 0 0 395.260 3.606 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)COCc2nc3ccccc3s2)cc1 ZINC000916502198 889074832 /nfs/dbraw/zinc/07/48/32/889074832.db2.gz FBHPSVIPQGCWEW-UHFFFAOYSA-N 0 0 383.517 3.976 20 10 GHCDRN Cc1cc(C)c2c(N)c(C(=O)OCc3nc(-c4cccs4)no3)sc2n1 ZINC000916525558 889083542 /nfs/dbraw/zinc/08/35/42/889083542.db2.gz NBJBOGKABYMVPY-UHFFFAOYSA-N 0 0 386.458 3.964 20 10 GHCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCn4c(cc5ccc(Cl)cc54)C3)cc2N1 ZINC000774758972 913311059 /nfs/dbraw/zinc/31/10/59/913311059.db2.gz VVRFDJMQDIXXNS-UHFFFAOYSA-N 0 0 398.806 3.554 20 10 GHCDRN COc1cc(CNC(=O)NCCCSc2nccs2)c2ccccc2n1 ZINC000154037567 889091721 /nfs/dbraw/zinc/09/17/21/889091721.db2.gz BDZZTJNYQXPMME-UHFFFAOYSA-N 0 0 388.518 3.682 20 10 GHCDRN CCc1ccc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)s1 ZINC000916576637 889138454 /nfs/dbraw/zinc/13/84/54/889138454.db2.gz ASIPWVWEXOINFC-UHFFFAOYSA-N 0 0 375.563 3.863 20 10 GHCDRN C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H](c2ccsc2)O1 ZINC000121819651 889161204 /nfs/dbraw/zinc/16/12/04/889161204.db2.gz 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Cc1cc(Br)c(O)c(CN[C@H](C)c2noc(COC(C)C)n2)c1 ZINC000811519177 889672659 /nfs/dbraw/zinc/67/26/59/889672659.db2.gz XCRNOFPIEAWNOQ-LLVKDONJSA-N 0 0 384.274 3.622 20 10 GHCDRN C[C@@H](Sc1ccc(Br)cc1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000122368551 889703355 /nfs/dbraw/zinc/70/33/55/889703355.db2.gz MZNQEEPRBZZNOF-LLVKDONJSA-N 0 0 396.306 3.700 20 10 GHCDRN O=C(CCC(F)(F)F)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000173586695 889743682 /nfs/dbraw/zinc/74/36/82/889743682.db2.gz IYIUTSVNTHPAPL-UHFFFAOYSA-N 0 0 384.320 3.501 20 10 GHCDRN CC(C)[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)c2ccccc21 ZINC000774774956 913386456 /nfs/dbraw/zinc/38/64/56/913386456.db2.gz RBCSILYVGWDTEA-NRFANRHFSA-N 0 0 379.504 3.993 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2nnc(C3CC3)n2C2CC2)cc1 ZINC000122581696 889934822 /nfs/dbraw/zinc/93/48/22/889934822.db2.gz MKRTWPKKOLLZGZ-UHFFFAOYSA-N 0 0 375.476 3.828 20 10 GHCDRN COc1ccc2c(c1)CCCN2Cn1nc(-c2ccc(C)cc2)c(C)cc1=O ZINC000811758180 889966752 /nfs/dbraw/zinc/96/67/52/889966752.db2.gz QISIPKBZCXCBPL-UHFFFAOYSA-N 0 0 375.472 3.946 20 10 GHCDRN Cc1nnc(CCNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)s1 ZINC000811869540 890064787 /nfs/dbraw/zinc/06/47/87/890064787.db2.gz QUFOTNZOHRFITR-UHFFFAOYSA-N 0 0 387.553 3.657 20 10 GHCDRN O=C(COC(c1ccccc1)c1ccccc1)NCCc1ccc(O)c(O)c1 ZINC000122817245 890108363 /nfs/dbraw/zinc/10/83/63/890108363.db2.gz XLHXGADGNUSWJE-UHFFFAOYSA-N 0 0 377.440 3.563 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccc(Br)cc3C)CC2)cc1 ZINC000916723724 890131164 /nfs/dbraw/zinc/13/11/64/890131164.db2.gz LISAWUZYIBRNCU-UHFFFAOYSA-N 0 0 389.293 3.729 20 10 GHCDRN CCOCc1nc([C@@H](C)NC(=O)c2cc(C)n(-c3ccccc3C)c2C)no1 ZINC000811941848 890135164 /nfs/dbraw/zinc/13/51/64/890135164.db2.gz OGBYNIGAVZZZBU-OAHLLOKOSA-N 0 0 382.464 3.813 20 10 GHCDRN CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(Cl)c1[O-] ZINC000287578073 913419410 /nfs/dbraw/zinc/41/94/10/913419410.db2.gz HFEQDCHHEGZOME-QGZVFWFLSA-N 0 0 382.913 3.537 20 10 GHCDRN CCc1nnc(CNC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)s1 ZINC000811967338 890176004 /nfs/dbraw/zinc/17/60/04/890176004.db2.gz OCKDJCIKHZEMPM-UHFFFAOYSA-N 0 0 383.521 3.550 20 10 GHCDRN CCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000747756757 890217992 /nfs/dbraw/zinc/21/79/92/890217992.db2.gz RQTIEWQAJQVCKV-LJQANCHMSA-N 0 0 381.520 3.781 20 10 GHCDRN CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCCO[C@@H](C)C1 ZINC000812024044 890234444 /nfs/dbraw/zinc/23/44/44/890234444.db2.gz GUXOUTOVOCTBAZ-KRWDZBQOSA-N 0 0 379.508 3.988 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000812047869 890257910 /nfs/dbraw/zinc/25/79/10/890257910.db2.gz KACXBRPDHRDPFI-HSZRJFAPSA-N 0 0 379.504 3.740 20 10 GHCDRN Oc1c(CNc2nc3nc[nH]c3c(C(F)(F)F)n2)cc(Cl)c2cccnc12 ZINC001168521960 890279414 /nfs/dbraw/zinc/27/94/14/890279414.db2.gz MHVBXFMTTPOBPZ-UHFFFAOYSA-N 0 0 394.744 3.843 20 10 GHCDRN Cc1cc(-c2nccn2C)c(NCc2cc(Cl)c3cccnc3c2O)nn1 ZINC001168522064 890303574 /nfs/dbraw/zinc/30/35/74/890303574.db2.gz OLUFTQOORBWHKY-UHFFFAOYSA-N 0 0 380.839 3.705 20 10 GHCDRN COc1ccc(N2CCCN(c3nnc(C4CCC4)n3CC(C)C)CC2)cc1 ZINC000812213101 890441148 /nfs/dbraw/zinc/44/11/48/890441148.db2.gz VCQMJOXALJYRQK-UHFFFAOYSA-N 0 0 383.540 3.927 20 10 GHCDRN COc1ccc(N2C(=O)/C(=C\c3cc(F)ccc3OC)SC2=S)cn1 ZINC000812219979 890449089 /nfs/dbraw/zinc/44/90/89/890449089.db2.gz VCFYIKOUUFQGLI-RIYZIHGNSA-N 0 0 376.434 3.644 20 10 GHCDRN O=C(CN(Cc1ccco1)Cc1ccccc1O)N[C@H]1CCOc2ccccc21 ZINC000123356795 890542320 /nfs/dbraw/zinc/54/23/20/890542320.db2.gz PRVPFNJLCRWRCW-FQEVSTJZSA-N 0 0 392.455 3.627 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000805453721 890576725 /nfs/dbraw/zinc/57/67/25/890576725.db2.gz ZSDPFZTWUBIIHW-OAHLLOKOSA-N 0 0 395.684 3.775 20 10 GHCDRN C[C@@H](Cc1ccccc1)NC(=S)NCc1cc(Br)ccc1O ZINC000795153627 890587750 /nfs/dbraw/zinc/58/77/50/890587750.db2.gz GMWOSQIGHKYCOX-LBPRGKRZSA-N 0 0 379.323 3.750 20 10 GHCDRN O=C(NC[C@H]1COc2ccccc21)N(Cc1ccco1)Cc1ccccc1O ZINC000812442887 890636343 /nfs/dbraw/zinc/63/63/43/890636343.db2.gz 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921308338 /nfs/dbraw/zinc/30/83/38/921308338.db2.gz AXLRWXOVZSSLEG-OXJNMPFZSA-N 0 0 384.476 3.853 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000779480742 907307690 /nfs/dbraw/zinc/30/76/90/907307690.db2.gz CGDUCVUPGDQBLG-LWUPOJRFSA-N 0 0 389.835 3.961 20 10 GHCDRN Cc1cnc([C@@H](C)CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000183198767 907349612 /nfs/dbraw/zinc/34/96/12/907349612.db2.gz MYXORUHVEFUBLK-WMLDXEAASA-N 0 0 389.521 3.651 20 10 GHCDRN Cc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1NC(=O)c1ccncc1 ZINC000779504075 907351179 /nfs/dbraw/zinc/35/11/79/907351179.db2.gz YRRURMCWPNFUIH-QPJJXVBHSA-N 0 0 389.411 3.705 20 10 GHCDRN C[C@@H](NC(=O)Nc1cnn([C@@H](C)C2CC2)c1)c1ccc(N2CCOCC2)cc1 ZINC000779504416 907353597 /nfs/dbraw/zinc/35/35/97/907353597.db2.gz LQZQXKDZLQIIIV-CVEARBPZSA-N 0 0 383.496 3.573 20 10 GHCDRN C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000773440831 907354763 /nfs/dbraw/zinc/35/47/63/907354763.db2.gz QWIGBTLKRPLVCC-CYBMUJFWSA-N 0 0 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C[C@@H](NC(=O)N[C@H](Cn1cccn1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000773622570 908455253 /nfs/dbraw/zinc/45/52/53/908455253.db2.gz GQJVMFACMAONNS-DYESRHJHSA-N 0 0 377.492 3.751 20 10 GHCDRN CC(C)[C@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C ZINC000773624267 908456773 /nfs/dbraw/zinc/45/67/73/908456773.db2.gz MDWNDCYKFXYWKE-QAPCUYQASA-N 0 0 392.544 3.662 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)CSc1cncc(Cl)n1 ZINC001177473893 908585263 /nfs/dbraw/zinc/58/52/63/908585263.db2.gz HPJHNZBNRQPYAG-GOSISDBHSA-N 0 0 391.924 3.984 20 10 GHCDRN CC(C)c1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000193905549 908791271 /nfs/dbraw/zinc/79/12/71/908791271.db2.gz KFIVMLSPGRIZBW-FQEVSTJZSA-N 0 0 396.487 3.662 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCc2ccnc(N3CCCC3)c2)cc1 ZINC000194406880 908879117 /nfs/dbraw/zinc/87/91/17/908879117.db2.gz CZRAHXBLEXBWFW-UHFFFAOYSA-N 0 0 381.524 3.527 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3ccc(Cl)c(OC)c3)CC2)cc1F ZINC000194430574 908882321 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COC[C@@H](C)CNC(=O)c1cc(C)n(-c2ccccc2Br)c1C ZINC000195698847 909032994 /nfs/dbraw/zinc/03/29/94/909032994.db2.gz VHSCMPOVYWPTLW-LBPRGKRZSA-N 0 0 379.298 3.869 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1cc(Br)ccc1F ZINC000773744405 909047343 /nfs/dbraw/zinc/04/73/43/909047343.db2.gz RCLBLVMVMONRMH-NSHDSACASA-N 0 0 396.256 3.679 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1cc(Br)ccc1F ZINC000773744403 909048059 /nfs/dbraw/zinc/04/80/59/909048059.db2.gz RCLBLVMVMONRMH-LLVKDONJSA-N 0 0 396.256 3.679 20 10 GHCDRN COc1ccc(C(=O)CCC(=O)NCc2ccc(N(C)C)c(F)c2)c(Cl)c1 ZINC000779891603 909063161 /nfs/dbraw/zinc/06/31/61/909063161.db2.gz KSQUJYYSIQRNFR-UHFFFAOYSA-N 0 0 392.858 3.833 20 10 GHCDRN O=S(=O)(Cc1ccc(F)cc1F)N(Cc1ccccc1O)C1CCCC1 ZINC000779900465 909066181 /nfs/dbraw/zinc/06/61/81/909066181.db2.gz XXVHNYLSZFMXGF-UHFFFAOYSA-N 0 0 381.444 3.945 20 10 GHCDRN CC(C)[C@@H]1CN(C(=O)c2ccccc2SCC(=O)N2CCCC2)CCS1 ZINC000266305011 909070368 /nfs/dbraw/zinc/07/03/68/909070368.db2.gz KVPQPEIDRHDOJU-SFHVURJKSA-N 0 0 392.590 3.615 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CSc1cccc(C(F)(F)F)c1 ZINC000773750946 909119077 /nfs/dbraw/zinc/11/90/77/909119077.db2.gz YIVSULKMYFULDE-LLVKDONJSA-N 0 0 385.407 3.956 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(OCc2ccccc2)ccc1O ZINC000773760267 909134591 /nfs/dbraw/zinc/13/45/91/909134591.db2.gz FURQDHWJNIBJCD-OAHLLOKOSA-N 0 0 393.439 3.743 20 10 GHCDRN Cc1ccc(OCCCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(Cl)c1 ZINC000773760852 909169181 /nfs/dbraw/zinc/16/91/81/909169181.db2.gz MAILLDAKVNLUTC-CQSZACIVSA-N 0 0 377.868 3.966 20 10 GHCDRN O=C(NCc1c(O)cccc1O)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC001178905999 909307814 /nfs/dbraw/zinc/30/78/14/909307814.db2.gz VQQLPRLRRIAZSL-UHFFFAOYSA-N 0 0 385.423 3.881 20 10 GHCDRN Cc1cc(C)c(CNC(=O)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001178978305 909322862 /nfs/dbraw/zinc/32/28/62/909322862.db2.gz SYJUKTNWHVBHER-OAQYLSRUSA-N 0 0 376.497 3.662 20 10 GHCDRN CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2c(O)ccc3ccccc32)C1 ZINC001179033309 909367163 /nfs/dbraw/zinc/36/71/63/909367163.db2.gz VLSDFBKQLOOIHF-FDDCHVKYSA-N 0 0 396.487 3.809 20 10 GHCDRN Cc1cc(NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)nc(C)n1 ZINC000795226528 909373231 /nfs/dbraw/zinc/37/32/31/909373231.db2.gz ICSTTYLHMMOUFQ-GOSISDBHSA-N 0 0 385.512 3.837 20 10 GHCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C1(CN2CCN(c3ccccc3)CC2)CC1 ZINC001179159261 909405721 /nfs/dbraw/zinc/40/57/21/909405721.db2.gz KVPPCDVPXCDBHX-UHFFFAOYSA-N 0 0 389.902 3.629 20 10 GHCDRN COC(=O)c1sc(C(C)(C)C)cc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179683141 909670649 /nfs/dbraw/zinc/67/06/49/909670649.db2.gz GTCZHCAMHDWPKU-SOFGYWHQSA-N 0 0 375.446 3.895 20 10 GHCDRN Cc1nc2c(cccc2C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)[nH]1 ZINC000801826326 921528118 /nfs/dbraw/zinc/52/81/18/921528118.db2.gz JYXJXHVWTGOMOU-ZIAGYGMSSA-N 0 0 396.466 3.554 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)CCn1nnc2ccccc21 ZINC001179999268 909861821 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/nfs/dbraw/zinc/01/42/55/911014255.db2.gz CWDNOHGHTCWOKJ-UHFFFAOYSA-N 0 0 384.476 3.732 20 10 GHCDRN C[C@H]1C(=O)OC[C@H]1C(=O)N(C)CCC=C1c2ccccc2CCc2ccccc21 ZINC001182076567 911174637 /nfs/dbraw/zinc/17/46/37/911174637.db2.gz AJWMRYNLBGCRPY-UZUQRXQVSA-N 0 0 389.495 3.875 20 10 GHCDRN CC1(C)[C@@]2(C)CC[C@]1(C(=O)n1c(=N)ccc(/N=N/c3ccccc3)c1N)OC2=O ZINC001182149465 911209776 /nfs/dbraw/zinc/20/97/76/911209776.db2.gz WPMMENJKRQISIQ-VOCNGIKASA-N 0 0 393.447 3.727 20 10 GHCDRN CCOC(=O)c1noc(NC(=O)CCc2ccc(O)c(O)c2)c1-c1ccccc1 ZINC001182154488 911212928 /nfs/dbraw/zinc/21/29/28/911212928.db2.gz ITALGMCATIDTCN-UHFFFAOYSA-N 0 0 396.399 3.501 20 10 GHCDRN C[C@H](NC(=O)c1ccc(=O)n(-c2cccc(F)c2)c1)c1ccc(N(C)C)cc1 ZINC000773988940 911237429 /nfs/dbraw/zinc/23/74/29/911237429.db2.gz MFWPEEYFXDMCJF-HNNXBMFYSA-N 0 0 379.435 3.534 20 10 GHCDRN C[C@@H](NC(=O)c1cscc1Br)c1ccc(N2CCOCC2)cc1 ZINC000795592406 911384617 /nfs/dbraw/zinc/38/46/17/911384617.db2.gz JUAXEJKZYDWVQA-GFCCVEGCSA-N 0 0 395.322 3.838 20 10 GHCDRN CCCN1C(=O)CCc2cc(NC(=O)N[C@H](C)c3cc(OC)ccc3O)ccc21 ZINC000774109592 911396072 /nfs/dbraw/zinc/39/60/72/911396072.db2.gz VPNCFTCLQFZVEI-CQSZACIVSA-N 0 0 397.475 3.973 20 10 GHCDRN COC(=O)c1coc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c1 ZINC000774112934 911401549 /nfs/dbraw/zinc/40/15/49/911401549.db2.gz CEUMWNOMKXJLIX-OQLLNIDSSA-N 0 0 388.470 3.538 20 10 GHCDRN C[C@@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774141659 911409267 /nfs/dbraw/zinc/40/92/67/911409267.db2.gz WSPFCCONVBBUCI-GFCCVEGCSA-N 0 0 388.316 3.965 20 10 GHCDRN CNC(=O)COc1cccc(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])c1 ZINC000774129229 911431155 /nfs/dbraw/zinc/43/11/55/911431155.db2.gz DBZFUPBCEHLJLC-LLVKDONJSA-N 0 0 383.275 3.675 20 10 GHCDRN O=C(c1ccc(Br)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000247903607 911491515 /nfs/dbraw/zinc/49/15/15/911491515.db2.gz LCTADRYJHFLPQK-QGZVFWFLSA-N 0 0 390.277 3.976 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@H](C3N=NC(=O)O3)C2)c(C)n1-c1ccccc1C ZINC000774218521 911532306 /nfs/dbraw/zinc/53/23/06/911532306.db2.gz VBQYDQPTFIUZJP-INIZCTEOSA-N 0 0 380.448 3.511 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000283504010 911536012 /nfs/dbraw/zinc/53/60/12/911536012.db2.gz DXLAUPPWSSKETE-UHFFFAOYSA-N 0 0 381.432 3.609 20 10 GHCDRN CC(=O)Nc1ccc(CC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000247967613 911548772 /nfs/dbraw/zinc/54/87/72/911548772.db2.gz XREYKUSSEITTGS-UHFFFAOYSA-N 0 0 378.428 3.715 20 10 GHCDRN Cc1cc(C(=O)CN(C)Cc2nncn2C(C)C)c(C)n1-c1ccc(F)cc1 ZINC000795640188 911623754 /nfs/dbraw/zinc/62/37/54/911623754.db2.gz XQIVKNAHDQPENY-UHFFFAOYSA-N 0 0 383.471 3.720 20 10 GHCDRN COc1ccc(N[C@@H](C)c2cc(Cl)c(Cl)cc2O)cc1-n1cnnn1 ZINC000774346440 911693348 /nfs/dbraw/zinc/69/33/48/911693348.db2.gz XBAVNZHUWCHNSM-VIFPVBQESA-N 0 0 380.235 3.856 20 10 GHCDRN CC[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000774412086 911719774 /nfs/dbraw/zinc/71/97/74/911719774.db2.gz UVKKZTYXUMKLBG-JOCHJYFZSA-N 0 0 393.531 3.903 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000774545648 912032300 /nfs/dbraw/zinc/03/23/00/912032300.db2.gz TXICNAAQEWCKLG-SFHVURJKSA-N 0 0 382.504 3.658 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)c1noc(COC(C)C)n1 ZINC000291313126 915096412 /nfs/dbraw/zinc/09/64/12/915096412.db2.gz RWDXWTAREZMWRQ-HNNXBMFYSA-N 0 0 390.484 3.773 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)NCCN1CCc2sccc2C1 ZINC000802018963 921763139 /nfs/dbraw/zinc/76/31/39/921763139.db2.gz UCVZGTUFODUCPV-UHFFFAOYSA-N 0 0 387.549 3.824 20 10 GHCDRN Cc1cccc(CN(C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1C ZINC000291736917 915341278 /nfs/dbraw/zinc/34/12/78/915341278.db2.gz YHFLBEGZEDPBIB-UHFFFAOYSA-N 0 0 399.510 3.745 20 10 GHCDRN Cn1c(C[NH2+]Cc2cccc(Br)c2[O-])nc2ccc(Cl)cc21 ZINC000775146335 915555554 /nfs/dbraw/zinc/55/55/54/915555554.db2.gz PHEICVPHZXNHMC-UHFFFAOYSA-N 0 0 380.673 3.985 20 10 GHCDRN COc1ccc(CCCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000097576247 915704823 /nfs/dbraw/zinc/70/48/23/915704823.db2.gz JKPQBXUTGDUBHU-OAQYLSRUSA-N 0 0 383.488 3.931 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1OCCc2sccc21 ZINC000292965490 915925087 /nfs/dbraw/zinc/92/50/87/915925087.db2.gz KRXTYQATAJMJIX-MGPUTAFESA-N 0 0 383.517 3.626 20 10 GHCDRN Cc1cccc(-n2cc(C(=O)CSc3ncc(-c4ccccc4)n3C)nn2)c1 ZINC001188400411 915951251 /nfs/dbraw/zinc/95/12/51/915951251.db2.gz JGBLHWDJLNQHKQ-UHFFFAOYSA-N 0 0 389.484 3.951 20 10 GHCDRN O=C(NC1CCCC1)c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000775178926 916034946 /nfs/dbraw/zinc/03/49/46/916034946.db2.gz CUKWVDNTLFEZBN-UHFFFAOYSA-N 0 0 397.494 3.947 20 10 GHCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccccc1OCc1ccc(F)cc1 ZINC000098074551 916167812 /nfs/dbraw/zinc/16/78/12/916167812.db2.gz CWVPCHOUVGPSEO-UHFFFAOYSA-N 0 0 381.403 3.788 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1(c2cccc(Cl)c2)CC1 ZINC000098093915 916191589 /nfs/dbraw/zinc/19/15/89/916191589.db2.gz GNHAGGPJRRKLBG-UHFFFAOYSA-N 0 0 398.934 3.897 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000775199466 916210726 /nfs/dbraw/zinc/21/07/26/916210726.db2.gz UGONDFUREORRMV-OAQYLSRUSA-N 0 0 381.520 3.581 20 10 GHCDRN O=C(NC[C@H](O)c1ccc(O)c(O)c1)Nc1ccc(OCc2ccccc2)cc1 ZINC001189139141 916422820 /nfs/dbraw/zinc/42/28/20/916422820.db2.gz LCLPMMWFLUIFHE-NRFANRHFSA-N 0 0 394.427 3.532 20 10 GHCDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000294102817 916587582 /nfs/dbraw/zinc/58/75/82/916587582.db2.gz FIVHXIZMLQAJLC-GFCCVEGCSA-N 0 0 392.858 3.693 20 10 GHCDRN C[C@H]1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)[C@H]1C ZINC000294209771 916650957 /nfs/dbraw/zinc/65/09/57/916650957.db2.gz QWFGYSKNGSAWFM-MFRBPKMGSA-N 0 0 380.560 3.596 20 10 GHCDRN CCN(CC)c1ccc(/N=N/c2ccccc2C(=O)N2CCNC(=O)[C@@H]2C)cc1 ZINC001189714730 916858017 /nfs/dbraw/zinc/85/80/17/916858017.db2.gz XXVIQZKBGWWWDR-UPCARPLXSA-N 0 0 393.491 3.909 20 10 GHCDRN Cc1cc(C)c([C@@H](C)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)c(O)c1 ZINC000294821978 916996568 /nfs/dbraw/zinc/99/65/68/916996568.db2.gz 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GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C(F)=C\C1CCCCC1 ZINC001137816619 935805798 /nfs/dbraw/zinc/80/57/98/935805798.db2.gz MQNOFKPEVDHQTE-CXUHLZMHSA-N 0 0 383.847 3.981 20 10 GHCDRN CO[C@H]1CCN(CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)[C@H](C)C1 ZINC000829463948 935812927 /nfs/dbraw/zinc/81/29/27/935812927.db2.gz SNZINDUSAIYUDH-DYVFJYSZSA-N 0 0 375.900 3.825 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCC2([C@@H](O)C(C)C)CC2)ccc1C ZINC001137837156 935816427 /nfs/dbraw/zinc/81/64/27/935816427.db2.gz VNHQWYWYTKXBND-NRFANRHFSA-N 0 0 382.504 3.742 20 10 GHCDRN COC(=O)c1cnc(SCC(=O)NC[C@@H](c2ccccc2)C(C)C)s1 ZINC000829684494 935844907 /nfs/dbraw/zinc/84/49/07/935844907.db2.gz QJHHYJLIRJNVTQ-CQSZACIVSA-N 0 0 378.519 3.578 20 10 GHCDRN COC(=O)c1cnc(SC[C@@H]2CN=C(c3ccc(OC)cc3)S2)s1 ZINC000829692473 935846255 /nfs/dbraw/zinc/84/62/55/935846255.db2.gz MOUDGQVLONSVKP-LBPRGKRZSA-N 0 0 380.516 3.593 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000830140853 935905958 /nfs/dbraw/zinc/90/59/58/935905958.db2.gz IWPTVFCEUKTARW-UHFFFAOYSA-N 0 0 378.266 3.971 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC000830141220 935906211 /nfs/dbraw/zinc/90/62/11/935906211.db2.gz OWOWTQINOXXUHT-QGZVFWFLSA-N 0 0 384.451 3.713 20 10 GHCDRN COC(=O)c1c(C[NH2+][C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c2cc(F)ccc2n1C ZINC001593867125 955591061 /nfs/dbraw/zinc/59/10/61/955591061.db2.gz ZEBVMWSPFPIGRW-SJLPKXTDSA-N 0 0 396.418 3.507 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1cnn2c1OCC(C)(C)C2 ZINC001154371182 1032068576 /nfs/dbraw/zinc/06/85/76/1032068576.db2.gz GAQZKTLWLCVFFS-GOSISDBHSA-N 0 0 383.492 3.678 20 10 GHCDRN Cc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001460982594 1069316279 /nfs/dbraw/zinc/31/62/79/1069316279.db2.gz KWWZQDHICGEJNT-GOSISDBHSA-N 0 0 376.504 3.916 20 10 GHCDRN CCn1ncnc1-c1ccc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)cc1 ZINC001460984107 1069317547 /nfs/dbraw/zinc/31/75/47/1069317547.db2.gz RCZSRBCDIZZGRR-QGZVFWFLSA-N 0 0 391.519 3.700 20 10 GHCDRN COc1cccc(C(F)(F)C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC001460986291 1069320384 /nfs/dbraw/zinc/32/03/84/1069320384.db2.gz VTDORYQHIIMPRQ-HNNXBMFYSA-N 0 0 376.447 3.909 20 10 GHCDRN CCc1ccccc1-n1cc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)nn1 ZINC001460986656 1069320452 /nfs/dbraw/zinc/32/04/52/1069320452.db2.gz WGPFAARLEZEZDY-KRWDZBQOSA-N 0 0 391.519 3.565 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N=[S@@](C)(=O)C(C)(C)C)CCCC1 ZINC001626310088 1014308843 /nfs/dbraw/zinc/30/88/43/1014308843.db2.gz XGPRZZMUAWIION-SANMLTNESA-N 0 0 376.522 3.952 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1c(F)ccc2ccncc21 ZINC001625969946 1014599359 /nfs/dbraw/zinc/59/93/59/1014599359.db2.gz MWAIYTKYZKZTLW-UHFFFAOYSA-N 0 0 381.476 3.857 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(F)F)cc1 ZINC001626086218 1014870402 /nfs/dbraw/zinc/87/04/02/1014870402.db2.gz ZBORQHBJVKOQGN-INIZCTEOSA-N 0 0 399.482 3.698 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2nc(C(F)(F)F)n3ccccc23)c1 ZINC001545684213 1014990881 /nfs/dbraw/zinc/99/08/81/1014990881.db2.gz OCFVWZOUGOXUNC-JTQLQIEISA-N 0 0 379.338 3.558 20 10 GHCDRN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c1O ZINC001589271129 985969516 /nfs/dbraw/zinc/96/95/16/985969516.db2.gz OGFRXPMYSMWXLG-OAHLLOKOSA-N 0 0 385.313 3.668 20 10 GHCDRN CCOc1cc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)ccc1OC(F)F ZINC001597035272 986469751 /nfs/dbraw/zinc/46/97/51/986469751.db2.gz DMGHKKMLFLPHIX-NSHDSACASA-N 0 0 381.375 3.941 20 10 GHCDRN O=C(Nc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1)C1=S=CC=C1 ZINC000544935569 1015239448 /nfs/dbraw/zinc/23/94/48/1015239448.db2.gz VIWBWFAXCWMZTC-UHFFFAOYSA-N 0 0 392.396 3.528 20 10 GHCDRN C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C[C@H]1C(=O)[O-] ZINC001599866518 989271852 /nfs/dbraw/zinc/27/18/52/989271852.db2.gz MBRUWZNXXDJZOQ-UKRRQHHQSA-N 0 0 381.314 3.592 20 10 GHCDRN Cc1cc(-c2nc([C@@H]3CCO[C@@H](C)C3)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000545093469 1015522438 /nfs/dbraw/zinc/52/24/38/1015522438.db2.gz HUHSQYBPMRHNLA-UONOGXRCSA-N 0 0 383.473 3.544 20 10 GHCDRN CN(C)c1ccc(/C=C/C[N@H+](C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1 ZINC001598314247 991294779 /nfs/dbraw/zinc/29/47/79/991294779.db2.gz JXEUECVLAQJLCK-PXPVJAHISA-N 0 0 378.394 3.941 20 10 GHCDRN Cn1c2ccc(F)cc2c(C[N@H+](C)C[C@@H]2OCCc3ccccc32)c1C(=O)[O-] ZINC001598505893 992502983 /nfs/dbraw/zinc/50/29/83/992502983.db2.gz SANVRBNCMICJIE-FQEVSTJZSA-N 0 0 382.435 3.761 20 10 GHCDRN C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598519127 992656579 /nfs/dbraw/zinc/65/65/79/992656579.db2.gz KNSRGSRRGBCCLB-UHFFFAOYSA-N 0 0 383.448 3.915 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)NCCCOc3cccc(C)c3)C2)cc1 ZINC001220804675 1032128701 /nfs/dbraw/zinc/12/87/01/1032128701.db2.gz LHNYLVKIVAQJEM-LJQANCHMSA-N 0 0 397.519 3.598 20 10 GHCDRN C[C@H]([NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1)c1cc(C(=O)[O-])ccc1O ZINC001593218845 994292271 /nfs/dbraw/zinc/29/22/71/994292271.db2.gz IGRDMEDSMDLCAM-QGLTVNCISA-N 0 0 386.414 3.546 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCCC3(C)C)cc2F)C[C@@H](C)O1 ZINC001221184931 1032321036 /nfs/dbraw/zinc/32/10/36/1032321036.db2.gz UHMNEFBHTPTFSR-SPYBWZPUSA-N 0 0 377.504 3.817 20 10 GHCDRN O=C1CC(Oc2cc3c4cc(O)c(O)cc4c4cc(O)c(O)cc4c3cc2O)C1 ZINC001227508779 1032445891 /nfs/dbraw/zinc/44/58/91/1032445891.db2.gz BDRRFNGVSRQERP-UHFFFAOYSA-N 0 0 392.363 3.785 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2cccc(-n3cnnc3)c2)cc1 ZINC001155258198 1032472932 /nfs/dbraw/zinc/47/29/32/1032472932.db2.gz JOJANZQPFZOMTQ-UHFFFAOYSA-N 0 0 399.454 3.669 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCN1CCCc2ccccc21 ZINC001221667684 1032502703 /nfs/dbraw/zinc/50/27/03/1032502703.db2.gz CXPSCBVCEUTLMW-IBGZPJMESA-N 0 0 394.563 3.744 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)NCC3(c4ccc(Cl)cc4)CC3)C2)cc1 ZINC001221732711 1032518527 /nfs/dbraw/zinc/51/85/27/1032518527.db2.gz RSKXMZKFEDHOAM-SFHVURJKSA-N 0 0 399.922 3.958 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCC23CCOCC3)cc1F ZINC001221879012 1032560788 /nfs/dbraw/zinc/56/07/88/1032560788.db2.gz OXQGZKVCNCJYFE-KRWDZBQOSA-N 0 0 377.504 3.678 20 10 GHCDRN Cc1cc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)c(C)n1-c1cccc(C)c1 ZINC001155507353 1032566062 /nfs/dbraw/zinc/56/60/62/1032566062.db2.gz DOVIDLHKTRNTSR-OAQYLSRUSA-N 0 0 380.463 3.875 20 10 GHCDRN C[C@@H]1CN(Cc2cccc(Cl)c2[O-])CCN1C(=O)Cc1cccc(Cl)c1 ZINC001204211803 1032662033 /nfs/dbraw/zinc/66/20/33/1032662033.db2.gz FUKXFITYKHHIGD-CQSZACIVSA-N 0 0 393.314 3.974 20 10 GHCDRN CN(C)c1ccc(CN2CCN(c3nccnc3Cl)CC2)c2ccccc21 ZINC001204234128 1032679741 /nfs/dbraw/zinc/67/97/41/1032679741.db2.gz XHSIUHNIXHPAPH-UHFFFAOYSA-N 0 0 381.911 3.671 20 10 GHCDRN CCc1noc([C@H]2CC[C@H](NC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)C2)n1 ZINC000927349732 1017394842 /nfs/dbraw/zinc/39/48/42/1017394842.db2.gz OBUFMEKRPXJZCE-ROUUACIJSA-N 0 0 399.539 3.954 20 10 GHCDRN CCOC(=O)C(F)(F)[C@H](CC)Oc1c(O)c(O)ccc1C(=O)c1ccccc1 ZINC001227937620 1032705035 /nfs/dbraw/zinc/70/50/35/1032705035.db2.gz NMCMUIWBGQMDGK-HNNXBMFYSA-N 0 0 394.370 3.685 20 10 GHCDRN COC(=O)C[C@@H]1CCC[C@H](Oc2c(O)c(O)ccc2C(=O)c2ccccc2)C1 ZINC001227940966 1032707311 /nfs/dbraw/zinc/70/73/11/1032707311.db2.gz PSFBFRMWOULVFU-ZBFHGGJFSA-N 0 0 384.428 3.830 20 10 GHCDRN CCc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)ccc1C ZINC000778131070 1018716177 /nfs/dbraw/zinc/71/61/77/1018716177.db2.gz BHXQUIPQZJPATR-UHFFFAOYSA-N 0 0 379.504 3.753 20 10 GHCDRN COc1cc(CN2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)cc(O)c1O ZINC001204349317 1032786359 /nfs/dbraw/zinc/78/63/59/1032786359.db2.gz RWJOQIGLRKOQMT-OAGGEKHMSA-N 0 0 377.481 3.581 20 10 GHCDRN COc1cc(CN(C)[C@@H](CC(C)C)C(=O)OCc2ccccc2)cc(O)c1O ZINC001204348632 1032787270 /nfs/dbraw/zinc/78/72/70/1032787270.db2.gz GDYXWLQTNHEWPI-SFHVURJKSA-N 0 0 387.476 3.696 20 10 GHCDRN Cc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c2ncccc12 ZINC000933825724 1018892069 /nfs/dbraw/zinc/89/20/69/1018892069.db2.gz VMZYRSUEPHFEML-UHFFFAOYSA-N 0 0 393.462 3.573 20 10 GHCDRN CC(C)(C)NC(=O)c1cc(Cl)nc(N2CCCc3cc(O)c(O)cc3C2)c1 ZINC001155941735 1032804750 /nfs/dbraw/zinc/80/47/50/1032804750.db2.gz XMFJCPNPPDIEIM-UHFFFAOYSA-N 0 0 389.883 3.627 20 10 GHCDRN CN(C)c1ccc(-c2ccnc(N3CCCc4cc(O)c(O)cc4C3)n2)cc1 ZINC001155945024 1032806119 /nfs/dbraw/zinc/80/61/19/1032806119.db2.gz PUEZSOBDDSUCDR-UHFFFAOYSA-N 0 0 376.460 3.574 20 10 GHCDRN CN(CCC=C1c2ccccc2CCc2ccccc21)c1ccc(C(N)=O)nn1 ZINC001156004257 1032835878 /nfs/dbraw/zinc/83/58/78/1032835878.db2.gz DNJHCDVNJBMQOC-UHFFFAOYSA-N 0 0 384.483 3.632 20 10 GHCDRN CCCN(C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1)[C@@H](C)C(=O)OCC ZINC001156049042 1032856184 /nfs/dbraw/zinc/85/61/84/1032856184.db2.gz GKRONDAJXDWMFL-SFHVURJKSA-N 0 0 398.503 3.639 20 10 GHCDRN Cc1ccccc1O[C@@H](C)C(=O)N1CCN(Cc2cc(C(C)C)ccc2O)CC1 ZINC001204480669 1032915980 /nfs/dbraw/zinc/91/59/80/1032915980.db2.gz VXCIOTRQTUXGIB-IBGZPJMESA-N 0 0 396.531 3.936 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)CCc2nc(-c3ccsc3)no2)cc1 ZINC000193747266 1020946995 /nfs/dbraw/zinc/94/69/95/1020946995.db2.gz BJSKTCMDYGCVFJ-UHFFFAOYSA-N 0 0 384.505 3.893 20 10 GHCDRN O=S(=O)([N-]c1nc(-c2ccco2)cs1)c1c(Cl)nc2ccccn21 ZINC000193887255 1020953397 /nfs/dbraw/zinc/95/33/97/1020953397.db2.gz HEXQONXADMAWAV-UHFFFAOYSA-N 0 0 380.838 3.505 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc2ccccc21 ZINC000194014143 1020958414 /nfs/dbraw/zinc/95/84/14/1020958414.db2.gz KYARWXSABYRJIJ-UHFFFAOYSA-N 0 0 375.472 3.893 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000194500808 1020967173 /nfs/dbraw/zinc/96/71/73/1020967173.db2.gz IBEFYBXAHAJWGM-MRXNPFEDSA-N 0 0 394.519 3.978 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)/C(C)=C/c1cccnc1 ZINC000834510061 1021234136 /nfs/dbraw/zinc/23/41/36/1021234136.db2.gz WRRBPYBSORGMEU-SAPNQHFASA-N 0 0 395.503 3.874 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ncc(C)cc1C ZINC000834514443 1021236216 /nfs/dbraw/zinc/23/62/16/1021236216.db2.gz NRAAAEJMXKZADK-UHFFFAOYSA-N 0 0 383.492 3.701 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H](C)c1ccccn1 ZINC000834518069 1021240523 /nfs/dbraw/zinc/24/05/23/1021240523.db2.gz FSBRNDKVXVUIAR-MRXNPFEDSA-N 0 0 383.492 3.574 20 10 GHCDRN Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)sc1C=O ZINC001626154218 1021287810 /nfs/dbraw/zinc/28/78/10/1021287810.db2.gz KDTLARWKHQJLRR-KBPBESRZSA-N 0 0 390.480 3.552 20 10 GHCDRN O=C(Nc1ccccc1)N1CC[C@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000800901110 1021348368 /nfs/dbraw/zinc/34/83/68/1021348368.db2.gz CCULXAQTSOLPQE-HNNXBMFYSA-N 0 0 390.281 3.551 20 10 GHCDRN CC(C)(C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1nccs1 ZINC000900868400 1021354376 /nfs/dbraw/zinc/35/43/76/1021354376.db2.gz HJBGQFGLXAJASK-CYBMUJFWSA-N 0 0 395.475 3.807 20 10 GHCDRN Cc1cc(CC(=O)Nc2cc([C@H]3CCCO3)nn2C)c(C)n1-c1ccccc1 ZINC000834709782 1021395172 /nfs/dbraw/zinc/39/51/72/1021395172.db2.gz VJJXPGQUUQMSAF-HXUWFJFHSA-N 0 0 378.476 3.860 20 10 GHCDRN COCCN(Cc1ccc(C)o1)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001204566312 1032977194 /nfs/dbraw/zinc/97/71/94/1032977194.db2.gz UWEAECNSRBBHIT-UHFFFAOYSA-N 0 0 388.439 3.654 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H]1CN(Cc2c(O)cccc2Cl)CC(F)(F)C1 ZINC001140341778 1021452053 /nfs/dbraw/zinc/45/20/53/1021452053.db2.gz HKUWTWZWQWQHLV-LLVKDONJSA-N 0 0 376.831 3.780 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21)c1cc(Cl)c(Cl)cc1[O-] ZINC000834826122 1021521091 /nfs/dbraw/zinc/52/10/91/1021521091.db2.gz CJIACTYXQDROKL-GHMZBOCLSA-N 0 0 386.300 3.921 20 10 GHCDRN C[C@@H](CCO)CC[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000834833108 1021530389 /nfs/dbraw/zinc/53/03/89/1021530389.db2.gz UYDQLTHDYGBPEJ-ZJUUUORDSA-N 0 0 395.135 3.976 20 10 GHCDRN Cc1cc(C(=O)CN2CCC(O[C@H]3CCOC3)CC2)c(C)n1-c1ccccc1C ZINC000748834693 1021724033 /nfs/dbraw/zinc/72/40/33/1021724033.db2.gz ZGUBQNLHPNCLLS-NRFANRHFSA-N 0 0 396.531 3.855 20 10 GHCDRN CC(=O)N[C@@H]1Cc2ccccc2N(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000749067814 1021743823 /nfs/dbraw/zinc/74/38/23/1021743823.db2.gz MRHHXDBPQKCTJF-OAQYLSRUSA-N 0 0 387.483 3.802 20 10 GHCDRN COc1c(O)c(CNc2ccc3c(c2)CN(CC(F)(F)F)C3)ccc1[N+](=O)[O-] ZINC000835080682 1021878190 /nfs/dbraw/zinc/87/81/90/1021878190.db2.gz VEIHKJBOASKZNW-UHFFFAOYSA-N 0 0 397.353 3.799 20 10 GHCDRN CCOc1ccc(O)c(CN[C@@H](C(=O)OC)c2ccccc2Br)c1 ZINC000827158694 1021922714 /nfs/dbraw/zinc/92/27/14/1021922714.db2.gz TYRCLNABQLCJCR-QGZVFWFLSA-N 0 0 394.265 3.557 20 10 GHCDRN CC[C@H]1[N@H+](Cc2c([O-])cc(F)cc2F)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001140581467 1022002366 /nfs/dbraw/zinc/00/23/66/1022002366.db2.gz SPMZKFRRUBZTRX-CTNGQTDRSA-N 0 0 378.463 3.816 20 10 GHCDRN CCNC(=O)C1(CNC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)CCC1 ZINC001156406046 1033021533 /nfs/dbraw/zinc/02/15/33/1033021533.db2.gz IGDQKOGXKMPORT-UHFFFAOYSA-N 0 0 381.520 3.747 20 10 GHCDRN Cc1ccc(O)c(CN2[C@@H](C(F)(F)F)[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1 ZINC001140619942 1022088723 /nfs/dbraw/zinc/08/87/23/1022088723.db2.gz VSXWKRKFKMWIMX-OFQRWUPVSA-N 0 0 386.414 3.825 20 10 GHCDRN Cc1ccc(N2CCN(Cc3ccc(N4CCOCC4)cc3F)CC2)cc1C ZINC001140662573 1022202493 /nfs/dbraw/zinc/20/24/93/1022202493.db2.gz ZDXYGZODJVYXJV-UHFFFAOYSA-N 0 0 383.511 3.601 20 10 GHCDRN COc1ccc(N2CCN(CN3C(=O)C(C)(C)[C@@H]3c3ccccc3)CC2)cc1F ZINC000754015786 1022423776 /nfs/dbraw/zinc/42/37/76/1022423776.db2.gz ZPNZMXLBZHZNBR-NRFANRHFSA-N 0 0 397.494 3.524 20 10 GHCDRN O=S(=O)(Cc1ccccc1Cl)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000754039402 1022439248 /nfs/dbraw/zinc/43/92/48/1022439248.db2.gz WOMZRGPCXBVFDM-QGZVFWFLSA-N 0 0 395.908 3.557 20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)NCCC3CC(F)(F)C3)cc2F)C[C@H](C)O1 ZINC000836240769 1022758333 /nfs/dbraw/zinc/75/83/33/1022758333.db2.gz JKZRMDNNXWBDTO-KBPBESRZSA-N 0 0 399.457 3.674 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@H]1CCCCC1(F)F ZINC000836241055 1022758462 /nfs/dbraw/zinc/75/84/62/1022758462.db2.gz AGESFKGHESNRSJ-INIZCTEOSA-N 0 0 383.508 3.865 20 10 GHCDRN O=C(COc1ccc(F)cc1F)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000754535632 1022759838 /nfs/dbraw/zinc/75/98/38/1022759838.db2.gz HDPUQBZWBTWSSN-UHFFFAOYSA-N 0 0 393.345 3.758 20 10 GHCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccn(-c2ccccc2)n1 ZINC000754545753 1022763229 /nfs/dbraw/zinc/76/32/29/1022763229.db2.gz KYKVADSJXLBYHB-UHFFFAOYSA-N 0 0 393.402 3.900 20 10 GHCDRN C[C@@H](Cc1cnn(C)c1)NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000836259841 1022786942 /nfs/dbraw/zinc/78/69/42/1022786942.db2.gz LVXMGHXJQNPDFW-KRWDZBQOSA-N 0 0 383.540 3.619 20 10 GHCDRN Cc1cc(C(=O)CN(C)Cc2cn[nH]c2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000754660707 1022815049 /nfs/dbraw/zinc/81/50/49/1022815049.db2.gz TVOVLVQGHWLBQA-UHFFFAOYSA-N 0 0 388.418 3.733 20 10 GHCDRN Cc1cc(C(=O)C[N@H+](CC(C)(C)O)C2CCOCC2)c(C)n1-c1ccccc1C ZINC000754660527 1022815204 /nfs/dbraw/zinc/81/52/04/1022815204.db2.gz UMOIQAMIEHOCMR-UHFFFAOYSA-N 0 0 398.547 3.837 20 10 GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1cccc(C)c1Cl ZINC000754663590 1022817939 /nfs/dbraw/zinc/81/79/39/1022817939.db2.gz ICPRCTVUYPBCMG-UHFFFAOYSA-N 0 0 396.270 3.752 20 10 GHCDRN Cc1cc(C(=O)CN(C)Cc2nnc3n2CCC3)c(C)n1-c1cc(C)cc(C)c1 ZINC000754666346 1022820018 /nfs/dbraw/zinc/82/00/18/1022820018.db2.gz OJVKJDBSXRILAV-UHFFFAOYSA-N 0 0 391.519 3.563 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NCc1ccc(OC(F)F)c(F)c1 ZINC000836320050 1022867252 /nfs/dbraw/zinc/86/72/52/1022867252.db2.gz HWINFOZXMBGHPK-UHFFFAOYSA-N 0 0 391.393 3.803 20 10 GHCDRN O=C(COC(=O)C1=CC(=O)CS1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000754816202 1022909894 /nfs/dbraw/zinc/90/98/94/1022909894.db2.gz LZKAZALVDAZTDY-UHFFFAOYSA-N 0 0 378.406 3.512 20 10 GHCDRN CCc1nn(C)c(CC)c1CNC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000754878606 1022946508 /nfs/dbraw/zinc/94/65/08/1022946508.db2.gz NAKPBWQICNJSKF-UHFFFAOYSA-N 0 0 385.556 3.733 20 10 GHCDRN CCn1ccnc1CNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000836442797 1022976222 /nfs/dbraw/zinc/97/62/22/1022976222.db2.gz AWVXLFSYXCGTBA-HNNXBMFYSA-N 0 0 389.931 3.792 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCn4ccnc43)cc2Cl)C1 ZINC000836443630 1022977496 /nfs/dbraw/zinc/97/74/96/1022977496.db2.gz IIWOFOMQPSGFKC-RHSMWYFYSA-N 0 0 387.915 3.717 20 10 GHCDRN CC(F)(F)CCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000836505423 1023042989 /nfs/dbraw/zinc/04/29/89/1023042989.db2.gz LNRRKFJOJUZRMP-LBPRGKRZSA-N 0 0 377.382 3.601 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H]1CSc2ccccc21 ZINC000836504853 1023043321 /nfs/dbraw/zinc/04/33/21/1023043321.db2.gz CKQAGQGQBMSHET-GOSISDBHSA-N 0 0 397.544 3.554 20 10 GHCDRN CO[C@@H]1CC[C@H]2OCCN(CC(=O)c3cc(C)n(-c4ccc(C)cc4)c3C)[C@@H]2C1 ZINC000755052908 1023047813 /nfs/dbraw/zinc/04/78/13/1023047813.db2.gz JOAUTHCONCDWOP-KIFXHHALSA-N 0 0 396.531 3.854 20 10 GHCDRN CC(C)[C@@H]1CCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1 ZINC000755125252 1023084754 /nfs/dbraw/zinc/08/47/54/1023084754.db2.gz AOHHHAVLUSSJOQ-JFIYKMOQSA-N 0 0 377.504 3.627 20 10 GHCDRN C[C@@]1(c2ccccc2)CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000755128235 1023085378 /nfs/dbraw/zinc/08/53/78/1023085378.db2.gz SYTTZYDLOWHMEL-HSZRJFAPSA-N 0 0 397.494 3.536 20 10 GHCDRN CCOCCOc1cc(C)ccc1CNC(=O)NCc1ccc(N(C)C)cc1C ZINC000755237186 1023148111 /nfs/dbraw/zinc/14/81/11/1023148111.db2.gz JVGJDUKBLCZADS-UHFFFAOYSA-N 0 0 399.535 3.784 20 10 GHCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCSc2ccccn2)cc1 ZINC000755262690 1023160124 /nfs/dbraw/zinc/16/01/24/1023160124.db2.gz SAMYBGGTDFYSNM-HXUWFJFHSA-N 0 0 399.560 3.838 20 10 GHCDRN C[C@@H](CCCC(F)(F)F)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000755300949 1023179879 /nfs/dbraw/zinc/17/98/79/1023179879.db2.gz YMBLIHAPNMCTHH-HNNXBMFYSA-N 0 0 387.446 3.786 20 10 GHCDRN C[C@H](NC(=O)Nc1cc(F)cc(F)c1F)c1ccc(N2CCOCC2)cc1 ZINC000836661727 1023223331 /nfs/dbraw/zinc/22/33/31/1023223331.db2.gz LGOLKBGXWBANMV-LBPRGKRZSA-N 0 0 379.382 3.823 20 10 GHCDRN CCc1noc(CC)c1CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000755385324 1023225393 /nfs/dbraw/zinc/22/53/93/1023225393.db2.gz YGDLDCAWJLOQJJ-UHFFFAOYSA-N 0 0 375.432 3.690 20 10 GHCDRN CCOC(=O)CN1C(=O)/C(=C/c2ccc(F)c3cccnc23)c2ccccc21 ZINC000755410346 1023236467 /nfs/dbraw/zinc/23/64/67/1023236467.db2.gz MDDDNTAEMBOSOT-SFQUDFHCSA-N 0 0 376.387 3.824 20 10 GHCDRN COc1cc(O)c(CN2CC(Oc3ccccc3C(F)(F)F)C2)c(OC)c1 ZINC001141028568 1023276888 /nfs/dbraw/zinc/27/68/88/1023276888.db2.gz UXRUJRJBMWWCDS-UHFFFAOYSA-N 0 0 383.366 3.691 20 10 GHCDRN Cc1cc(C(=O)N2CCC(C3(C)OCCO3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000756004276 1023474700 /nfs/dbraw/zinc/47/47/00/1023474700.db2.gz BUGWJPAXCJYMCN-UHFFFAOYSA-N 0 0 386.467 3.848 20 10 GHCDRN Cc1cc(C(=O)N2CC[S@](=O)C(C)(C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000836961117 1023518930 /nfs/dbraw/zinc/51/89/30/1023518930.db2.gz GSPBNLXHDFGMOF-SANMLTNESA-N 0 0 376.497 3.606 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccc3ccncc32)cc1 ZINC000756157490 1023539344 /nfs/dbraw/zinc/53/93/44/1023539344.db2.gz YQLVZPNRNODSIX-UHFFFAOYSA-N 0 0 390.487 3.678 20 10 GHCDRN CN(Cc1ccccc1O)Cc1cc(Br)cnc1Br ZINC001141124305 1023545683 /nfs/dbraw/zinc/54/56/83/1023545683.db2.gz BWZRRBQDZKXHNF-UHFFFAOYSA-N 0 0 386.087 3.944 20 10 GHCDRN C[C@@H]1Cc2ccccc2N1C(=O)CN(Cc1ccco1)Cc1ccccc1O ZINC000756326186 1023591245 /nfs/dbraw/zinc/59/12/45/1023591245.db2.gz HCIVDDIVBRPJPT-QGZVFWFLSA-N 0 0 376.456 3.965 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](c2ccc(OC)cc2)N2CCCC2)c1 ZINC000756358147 1023603876 /nfs/dbraw/zinc/60/38/76/1023603876.db2.gz SHURXPMCUNKGNB-HRAATJIYSA-N 0 0 398.503 3.675 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)c1 ZINC000756366630 1023610332 /nfs/dbraw/zinc/61/03/32/1023610332.db2.gz VRUIRLYWVNOPFB-HNNXBMFYSA-N 0 0 393.487 3.891 20 10 GHCDRN C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1cc(Br)cc(F)c1[O-] ZINC000756372115 1023614198 /nfs/dbraw/zinc/61/41/98/1023614198.db2.gz OIPJCGRFQNCUNA-LLVKDONJSA-N 0 0 396.256 3.958 20 10 GHCDRN C[C@@H]([NH2+]CCc1cn2ccccc2n1)c1cc(Br)c(F)cc1[O-] ZINC000756393736 1023626983 /nfs/dbraw/zinc/62/69/83/1023626983.db2.gz ULBBKUCDKMLRLU-LLVKDONJSA-N 0 0 378.245 3.835 20 10 GHCDRN C[C@@H]([NH2+]CCNC(=O)c1ccc(F)cc1)c1cc(Br)c(F)cc1[O-] ZINC000756453912 1023659501 /nfs/dbraw/zinc/65/95/01/1023659501.db2.gz JMDBSMFYSVDDPA-SNVBAGLBSA-N 0 0 399.235 3.514 20 10 GHCDRN CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756453942 1023659793 /nfs/dbraw/zinc/65/97/93/1023659793.db2.gz BLFNZIJBJMCSOY-VHSXEESVSA-N 0 0 377.710 3.764 20 10 GHCDRN C[C@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cc(F)cc(F)c1[O-] ZINC000756457339 1023661469 /nfs/dbraw/zinc/66/14/69/1023661469.db2.gz GKPODCZHOFJHRJ-SGTLLEGYSA-N 0 0 376.403 3.639 20 10 GHCDRN C[C@@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756457851 1023661987 /nfs/dbraw/zinc/66/19/87/1023661987.db2.gz RSUXNYIRVPVYIX-SECBINFHSA-N 0 0 395.209 3.642 20 10 GHCDRN C[C@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)c1cc(F)cc(F)c1[O-] ZINC000756460443 1023663993 /nfs/dbraw/zinc/66/39/93/1023663993.db2.gz PPUNUDMFMVJOED-ZDUSSCGKSA-N 0 0 391.414 3.798 20 10 GHCDRN COC(=O)N1CCC([NH2+][C@H](C)c2cc(Br)cc(Cl)c2[O-])CC1 ZINC000756461790 1023664579 /nfs/dbraw/zinc/66/45/79/1023664579.db2.gz VTFXBYKRVFLQGO-SECBINFHSA-N 0 0 391.693 3.690 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)c1 ZINC000756476673 1023675099 /nfs/dbraw/zinc/67/50/99/1023675099.db2.gz UGNIQDJOMUARSK-KBPBESRZSA-N 0 0 390.430 3.634 20 10 GHCDRN C[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756575601 1023718589 /nfs/dbraw/zinc/71/85/89/1023718589.db2.gz WHCGIHXSBQBITL-NSHDSACASA-N 0 0 391.737 3.570 20 10 GHCDRN C[C@@H](NC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCOCC1)c1ccccc1 ZINC000756594829 1023727319 /nfs/dbraw/zinc/72/73/19/1023727319.db2.gz PLTQOYPTIQLKEO-SJORKVTESA-N 0 0 399.491 3.851 20 10 GHCDRN C[C@H]([NH2+]CC1(O)Cc2ccccc2C1)c1cc(Br)cc(Cl)c1[O-] ZINC000756595501 1023727796 /nfs/dbraw/zinc/72/77/96/1023727796.db2.gz WCYUGOQTJZGKJY-NSHDSACASA-N 0 0 396.712 3.989 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCCN(C)[C@H]2c2cccs2)c1 ZINC000756596924 1023728230 /nfs/dbraw/zinc/72/82/30/1023728230.db2.gz IMPHQEKOFJYABC-DKICVRJWSA-N 0 0 388.533 3.974 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCc2coc(-c3ccc(F)cc3)n2)c1 ZINC000756674917 1023769915 /nfs/dbraw/zinc/76/99/15/1023769915.db2.gz CWSXSBSWTAORTQ-ZDUSSCGKSA-N 0 0 384.407 3.866 20 10 GHCDRN C[C@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1cc(Br)c(F)cc1[O-] ZINC000756742522 1023795259 /nfs/dbraw/zinc/79/52/59/1023795259.db2.gz NKPYXHXBSOOUQU-NSHDSACASA-N 0 0 391.244 3.725 20 10 GHCDRN C[C@H]([NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1[O-] ZINC000756757495 1023801755 /nfs/dbraw/zinc/80/17/55/1023801755.db2.gz CFTRUAILGDSJIL-GXTWGEPZSA-N 0 0 387.373 3.932 20 10 GHCDRN COC1(C[NH2+][C@@H](C)c2cc(Br)cc(Cl)c2[O-])CCOCC1 ZINC000756759744 1023803320 /nfs/dbraw/zinc/80/33/20/1023803320.db2.gz LBUXRXDXSCFIEX-JTQLQIEISA-N 0 0 378.694 3.654 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)c1 ZINC000756784488 1023814154 /nfs/dbraw/zinc/81/41/54/1023814154.db2.gz NSOFBSWJSLPSTK-UONOGXRCSA-N 0 0 381.432 3.683 20 10 GHCDRN C[C@H]([NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000756835663 1023829618 /nfs/dbraw/zinc/82/96/18/1023829618.db2.gz QKWUMHNYPIFNKT-FGDXXIHYSA-N 0 0 375.337 3.856 20 10 GHCDRN CC[C@H](C)CSCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000756952409 1023883070 /nfs/dbraw/zinc/88/30/70/1023883070.db2.gz SLKQRRIWTRTBSZ-ARFHVFGLSA-N 0 0 382.545 3.835 20 10 GHCDRN Cc1cccc(COCc2cnc3n2CCN(Cc2cccc(F)c2O)[C@@H]3C)n1 ZINC001138125727 1024169377 /nfs/dbraw/zinc/16/93/77/1024169377.db2.gz WJLVVNOTACLXNV-MRXNPFEDSA-N 0 0 396.466 3.725 20 10 GHCDRN O=C1N(Cc2cccc(F)c2)CC[C@@]12CCC[N@@H+](Cc1cccc(F)c1[O-])C2 ZINC001138126935 1024172883 /nfs/dbraw/zinc/17/28/83/1024172883.db2.gz NHXOSCIUBYNESK-JOCHJYFZSA-N 0 0 386.442 3.685 20 10 GHCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001138126916 1024174159 /nfs/dbraw/zinc/17/41/59/1024174159.db2.gz MQBWRTBLPPGXTO-GHTZIAJQSA-N 0 0 390.430 3.516 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc([C@H]2Cc3ccccc3O2)n1CC1CC1 ZINC000830863497 1024201073 /nfs/dbraw/zinc/20/10/73/1024201073.db2.gz TUTOUVKUFJJDNJ-HXUWFJFHSA-N 0 0 376.460 3.706 20 10 GHCDRN Cc1cccc(Oc2ccc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)nc2)c1 ZINC001138152905 1024249157 /nfs/dbraw/zinc/24/91/57/1024249157.db2.gz SKPRIENYHROFFP-OAHLLOKOSA-N 0 0 378.428 3.955 20 10 GHCDRN C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@@H]1C(=O)NCc1ccc(N)cc1 ZINC000837303174 1024327672 /nfs/dbraw/zinc/32/76/72/1024327672.db2.gz XKMUHEWODXRWFC-CZAAIQMYSA-N 0 0 391.515 3.669 20 10 GHCDRN C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@H]1C(=O)NCc1ccc(N)cc1 ZINC000837303175 1024328038 /nfs/dbraw/zinc/32/80/38/1024328038.db2.gz XKMUHEWODXRWFC-HBGVWJBISA-N 0 0 391.515 3.669 20 10 GHCDRN C[C@H]1CN(C)c2ccccc2CN1C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000831110063 1024360402 /nfs/dbraw/zinc/36/04/02/1024360402.db2.gz GQDCWLQMRVOLHJ-HNNXBMFYSA-N 0 0 392.528 3.797 20 10 GHCDRN c1ccc(O[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2ccc(N3CCCCC3)cc2)nc1 ZINC001138216657 1024386083 /nfs/dbraw/zinc/38/60/83/1024386083.db2.gz GIORVENWYXLYHA-WMTXJRDZSA-N 0 0 393.531 3.883 20 10 GHCDRN COC(=O)[C@@H]1[C@H](c2ccccc2)OCCN1Cc1c(C)n(C)c2ccccc12 ZINC001138260415 1024492219 /nfs/dbraw/zinc/49/22/19/1024492219.db2.gz DXWBIEPMLMYEMK-VXKWHMMOSA-N 0 0 378.472 3.602 20 10 GHCDRN Cc1cc(C(=O)COC(=O)CC[C@@H]2CC[C@@H](C)O2)c(C)n1-c1ccc(F)cn1 ZINC000837554733 1024548933 /nfs/dbraw/zinc/54/89/33/1024548933.db2.gz JKRADNFOFUEQDY-PBHICJAKSA-N 0 0 388.439 3.702 20 10 GHCDRN Cc1cc(C(=O)COC(=O)CC[C@@H]2CC[C@H](C)O2)c(C)n1-c1ccc(F)cn1 ZINC000837554736 1024549567 /nfs/dbraw/zinc/54/95/67/1024549567.db2.gz JKRADNFOFUEQDY-YOEHRIQHSA-N 0 0 388.439 3.702 20 10 GHCDRN Cc1ccsc1CCCC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837705853 1024648910 /nfs/dbraw/zinc/64/89/10/1024648910.db2.gz CHFXZEYOPJLELO-UHFFFAOYSA-N 0 0 394.487 3.810 20 10 GHCDRN CC(C)(C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cccc(F)c1 ZINC000837709713 1024654594 /nfs/dbraw/zinc/65/45/94/1024654594.db2.gz OLSMPVDBSFTLRF-UHFFFAOYSA-N 0 0 392.421 3.535 20 10 GHCDRN CC(C)Oc1ccccc1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837709790 1024654767 /nfs/dbraw/zinc/65/47/67/1024654767.db2.gz QVSSYOQLQVUPRL-UHFFFAOYSA-N 0 0 390.430 3.519 20 10 GHCDRN CC(C)[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)[C@@H]1C(C)C ZINC000837715383 1024658053 /nfs/dbraw/zinc/65/80/53/1024658053.db2.gz WTNPDVXYBMNQAD-GHTZIAJQSA-N 0 0 391.531 3.609 20 10 GHCDRN CCOC[C@@H]1CN(Cc2ccc3c(c2)CCCN3C)Cc2nn(CC3CC3)cc21 ZINC001138355399 1024718859 /nfs/dbraw/zinc/71/88/59/1024718859.db2.gz PVMIIRVBKUMTMZ-NRFANRHFSA-N 0 0 394.563 3.811 20 10 GHCDRN Cc1cc(CC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c(C)n1-c1ccccc1 ZINC000831711791 1024772716 /nfs/dbraw/zinc/77/27/16/1024772716.db2.gz MJSUFXGGXSYMQG-UHFFFAOYSA-N 0 0 390.443 3.525 20 10 GHCDRN Cc1c[nH+]ccc1N1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141377491 1024774460 /nfs/dbraw/zinc/77/44/60/1024774460.db2.gz QMDKWKOGFNTALA-UHFFFAOYSA-N 0 0 396.716 3.834 20 10 GHCDRN Cc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)nn1C(C)C ZINC000838109732 1024926109 /nfs/dbraw/zinc/92/61/09/1024926109.db2.gz JKVCXVQZGVRBEO-UHFFFAOYSA-N 0 0 398.438 3.754 20 10 GHCDRN Cc1cnc(CCCC(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)o1 ZINC000838225717 1025002765 /nfs/dbraw/zinc/00/27/65/1025002765.db2.gz PPASVSISVRAHKE-UHFFFAOYSA-N 0 0 399.422 3.673 20 10 GHCDRN CC(C)(C)c1n[nH]cc1CN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001138581252 1025061226 /nfs/dbraw/zinc/06/12/26/1025061226.db2.gz BCPYXWUSJDNEGD-UHFFFAOYSA-N 0 0 382.430 3.928 20 10 GHCDRN Cc1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)c(Br)c2)cn1 ZINC001138678331 1025203508 /nfs/dbraw/zinc/20/35/08/1025203508.db2.gz ZRYQOJDFWVMYIS-UHFFFAOYSA-N 0 0 390.325 3.621 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2ccc(C(F)(F)F)nn2)C1 ZINC001141495937 1025254905 /nfs/dbraw/zinc/25/49/05/1025254905.db2.gz JPZFRTGFPCZYPU-UHFFFAOYSA-N 0 0 376.382 3.554 20 10 GHCDRN CO[C@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1O)Cc1ccccc1 ZINC000838644981 1025260916 /nfs/dbraw/zinc/26/09/16/1025260916.db2.gz MMNYLNMHDNZBMQ-NRFANRHFSA-N 0 0 394.471 3.955 20 10 GHCDRN CCn1c(Br)ncc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001141506283 1025315160 /nfs/dbraw/zinc/31/51/60/1025315160.db2.gz WZEGAQWULNYDCH-UHFFFAOYSA-N 0 0 391.313 3.536 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CC(C2CCCCC2)C1 ZINC000838740116 1025339787 /nfs/dbraw/zinc/33/97/87/1025339787.db2.gz SGOATZLOXCBJKG-UHFFFAOYSA-N 0 0 393.478 3.523 20 10 GHCDRN CC(C)CN(CC(C)C)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838745571 1025340887 /nfs/dbraw/zinc/34/08/87/1025340887.db2.gz ABHLTRKRIKYZIL-UHFFFAOYSA-N 0 0 383.483 3.625 20 10 GHCDRN CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000832431455 1025552875 /nfs/dbraw/zinc/55/28/75/1025552875.db2.gz PJMJYDNUWOLEHY-HNNXBMFYSA-N 0 0 393.487 3.831 20 10 GHCDRN OCc1ccc(NCc2ccc(N3CCCCC3)c(Br)c2)nc1 ZINC000839072664 1025564445 /nfs/dbraw/zinc/56/44/45/1025564445.db2.gz DOHIIZKUZXRNJT-UHFFFAOYSA-N 0 0 376.298 3.939 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)Cc1ccc(F)c(Cl)c1 ZINC000839272175 1025767671 /nfs/dbraw/zinc/76/76/71/1025767671.db2.gz MBWGLBWLDUXPFV-UHFFFAOYSA-N 0 0 392.858 3.582 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)C/C(C)=C\c1ccccc1 ZINC000839274282 1025772427 /nfs/dbraw/zinc/77/24/27/1025772427.db2.gz YRJGFMXFQMKLGO-SDXDJHTJSA-N 0 0 380.488 3.693 20 10 GHCDRN C[C@@H]1CN(C(=O)C=C2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc2NC1=O ZINC000839284358 1025777812 /nfs/dbraw/zinc/77/78/12/1025777812.db2.gz GBHVAPKWDGXNNY-OAHLLOKOSA-N 0 0 399.491 3.565 20 10 GHCDRN O=C(NCc1ccc2cccnc2c1O)c1cnn(-c2ccccc2)c1C(F)F ZINC001162612449 1025829627 /nfs/dbraw/zinc/82/96/27/1025829627.db2.gz JMUNIQMTMVNRPU-UHFFFAOYSA-N 0 0 394.381 3.994 20 10 GHCDRN COC(=O)[C@@H]1CC[N@H+](Cc2c([O-])ccc3c(C)cc(=O)oc32)[C@H]1c1ccccc1 ZINC001139125285 1025938016 /nfs/dbraw/zinc/93/80/16/1025938016.db2.gz QIYKIVVFBVPZTC-UTKZUKDTSA-N 0 0 393.439 3.543 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC001139126990 1025939211 /nfs/dbraw/zinc/93/92/11/1025939211.db2.gz ALSYIBBJSWWVAW-UHFFFAOYSA-N 0 0 384.863 3.783 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001139132655 1025945162 /nfs/dbraw/zinc/94/51/62/1025945162.db2.gz YVZUDJBYHAZXJW-UHFFFAOYSA-N 0 0 387.439 3.551 20 10 GHCDRN COc1ccc(N2CCN(Cc3cccc(C(=O)C(F)(F)F)c3)CC2)cc1 ZINC000839458471 1025948027 /nfs/dbraw/zinc/94/80/27/1025948027.db2.gz RJZOSUJQRDCZHH-UHFFFAOYSA-N 0 0 378.394 3.762 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)c3cncc4ncn(C)c43)cc2Cl)C1 ZINC001139139545 1025953293 /nfs/dbraw/zinc/95/32/93/1025953293.db2.gz WDSMKRZVMBCABU-CQSZACIVSA-N 0 0 397.910 3.788 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(-c2ccoc2C)on1 ZINC000839547683 1026044582 /nfs/dbraw/zinc/04/45/82/1026044582.db2.gz JUYFMNUIOIDEFN-UHFFFAOYSA-N 0 0 397.431 3.716 20 10 GHCDRN Cc1ccccc1[C@@H](CC(F)(F)F)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000839584527 1026082695 /nfs/dbraw/zinc/08/26/95/1026082695.db2.gz VHAJQPOHYZIHCM-LJQANCHMSA-N 0 0 393.453 3.961 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)Nc1cccc2ccsc21 ZINC000839633310 1026137608 /nfs/dbraw/zinc/13/76/08/1026137608.db2.gz HEYQHQIDCUWNHI-HNNXBMFYSA-N 0 0 395.528 3.962 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)Nc1ccc(OC(C)C)cc1 ZINC000839633349 1026137915 /nfs/dbraw/zinc/13/79/15/1026137915.db2.gz IGKKYBNXNHHRSE-KRWDZBQOSA-N 0 0 397.519 3.534 20 10 GHCDRN Cc1cc2cc[nH]c2cc1NC(=O)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839633039 1026138058 /nfs/dbraw/zinc/13/80/58/1026138058.db2.gz FMBLHLVCMWCPJU-INIZCTEOSA-N 0 0 392.503 3.537 20 10 GHCDRN CSCc1ccccc1NC(=O)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839633867 1026138979 /nfs/dbraw/zinc/13/89/79/1026138979.db2.gz MMFVYNGAIJJBSO-INIZCTEOSA-N 0 0 399.560 3.610 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)Nc1cccc(OC(C)C)c1 ZINC000839634007 1026139214 /nfs/dbraw/zinc/13/92/14/1026139214.db2.gz NRRCKFWLTPUDER-KRWDZBQOSA-N 0 0 397.519 3.534 20 10 GHCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]Cc1nccs1 ZINC001461079028 1069378569 /nfs/dbraw/zinc/37/85/69/1069378569.db2.gz QPSNWLVGLBSHBL-UHFFFAOYSA-N 0 0 378.089 3.664 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000839916591 1026344729 /nfs/dbraw/zinc/34/47/29/1026344729.db2.gz VTNHQKBJQGUGFZ-YLJYHZDGSA-N 0 0 393.531 3.699 20 10 GHCDRN Cc1nc(-c2ccc(C(=O)N[C@@H](C)Cc3ccc(N(C)C)cc3C)cc2)n[nH]1 ZINC000839917663 1026346055 /nfs/dbraw/zinc/34/60/55/1026346055.db2.gz GHSZAKBBRJSMKD-HNNXBMFYSA-N 0 0 377.492 3.516 20 10 GHCDRN CCO[C@H](C)c1ncc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC000839918896 1026347230 /nfs/dbraw/zinc/34/72/30/1026347230.db2.gz OBPHRLJMSKAGKN-LSDHHAIUSA-N 0 0 375.538 3.976 20 10 GHCDRN O=C(NC1CCN(Cc2cccc(Br)c2)CC1)C1=CC(=O)CS1 ZINC000839942277 1026362351 /nfs/dbraw/zinc/36/23/51/1026362351.db2.gz HMWSEVARMMRCIO-UHFFFAOYSA-N 0 0 395.322 3.611 20 10 GHCDRN Cc1cc(C(=O)N(C[C@H](C)O)C2CC2)c(C)n1-c1ccc(Br)cc1 ZINC001164142018 1026432427 /nfs/dbraw/zinc/43/24/27/1026432427.db2.gz VEOKBYSCKQBGAG-ZDUSSCGKSA-N 0 0 391.309 3.842 20 10 GHCDRN Cc1cc(CN2CCC(F)(F)[C@H](NC(=O)OC(C)(C)C)C2)ccc1N(C)C ZINC001139674385 1026528854 /nfs/dbraw/zinc/52/88/54/1026528854.db2.gz XKRMDOQXISYDHQ-QGZVFWFLSA-N 0 0 383.483 3.795 20 10 GHCDRN Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@H+](Cc3c(F)ccc(F)c3[O-])C[C@H]21 ZINC001139681070 1026535813 /nfs/dbraw/zinc/53/58/13/1026535813.db2.gz HMFYYSPTALXBCF-HIFRSBDPSA-N 0 0 399.416 3.982 20 10 GHCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001139682261 1026537350 /nfs/dbraw/zinc/53/73/50/1026537350.db2.gz UNYWXRUKFNXURQ-NQIIRXRSSA-N 0 0 390.430 3.516 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)/C=C(\C)Cc2ccccc2OC)cc1 ZINC001164597261 1026562394 /nfs/dbraw/zinc/56/23/94/1026562394.db2.gz IQTDJSKDCZBDCL-ISLYRVAYSA-N 0 0 382.504 3.787 20 10 GHCDRN COC(=O)CC1(NC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)CCCC1 ZINC001139851287 1026668170 /nfs/dbraw/zinc/66/81/70/1026668170.db2.gz MZEHOMUHLVAYOW-UHFFFAOYSA-N 0 0 382.460 3.512 20 10 GHCDRN CC(C)(C)OC(=O)/C=C\c1cc(C(=O)NCc2cc(Cl)ccc2O)co1 ZINC001165507232 1026749242 /nfs/dbraw/zinc/74/92/42/1026749242.db2.gz CKCPNODILMCWCS-ALCCZGGFSA-N 0 0 377.824 3.924 20 10 GHCDRN Oc1ccc(F)cc1C[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 ZINC001140054245 1026833752 /nfs/dbraw/zinc/83/37/52/1026833752.db2.gz NJYOBDBWCBYSNY-LJQANCHMSA-N 0 0 377.410 3.664 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnn(-c2ccccc2Cl)c1 ZINC001140198593 1026971334 /nfs/dbraw/zinc/97/13/34/1026971334.db2.gz KIYWOQDJRAARMU-UHFFFAOYSA-N 0 0 376.840 3.647 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1 ZINC001140198604 1026971362 /nfs/dbraw/zinc/97/13/62/1026971362.db2.gz KVWLBSCZWGAWCA-CYBMUJFWSA-N 0 0 393.505 3.633 20 10 GHCDRN CC(C)(CCS(=O)(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 ZINC001210039682 1027324764 /nfs/dbraw/zinc/32/47/64/1027324764.db2.gz WAHYLTYJGLXHEY-GOSISDBHSA-N 0 0 381.538 3.529 20 10 GHCDRN C[C@H](O)[C@H]1CCN(c2cc(NCc3ccc(N4CCC(C)CC4)cc3)ncn2)C1 ZINC000840258697 1027387974 /nfs/dbraw/zinc/38/79/74/1027387974.db2.gz GUMXWFZROUGEBB-ICSRJNTNSA-N 0 0 395.551 3.532 20 10 GHCDRN CCOc1cccc(CN2CCN(c3c(Cl)cncc3Cl)CC2)c1O ZINC001203614343 1027478639 /nfs/dbraw/zinc/47/86/39/1027478639.db2.gz XZXBADVGQWJSDH-UHFFFAOYSA-N 0 0 382.291 3.815 20 10 GHCDRN Nc1ccc(Nc2ccc(Br)cc2C(=O)c2ccccn2)c(F)n1 ZINC001203621559 1027483309 /nfs/dbraw/zinc/48/33/09/1027483309.db2.gz QFEAYJKYMYTFQH-UHFFFAOYSA-N 0 0 387.212 3.935 20 10 GHCDRN CCn1ccc(CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n1 ZINC000840367445 1027491234 /nfs/dbraw/zinc/49/12/34/1027491234.db2.gz PVAKHJMUGNBEMY-OAHLLOKOSA-N 0 0 389.931 3.792 20 10 GHCDRN CC(C)(C)OC(=O)NCC1(C)CN(Cc2cc(Br)ccc2O)C1 ZINC001203650612 1027506743 /nfs/dbraw/zinc/50/67/43/1027506743.db2.gz XTDOSMOUKQMZSY-UHFFFAOYSA-N 0 0 385.302 3.501 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC[C@@]2(CN(Cc3cc(Cl)ccc3O)CCO2)C1 ZINC001203651702 1027507121 /nfs/dbraw/zinc/50/71/21/1027507121.db2.gz STYAJUXQRFPYGU-HXUWFJFHSA-N 0 0 396.915 3.648 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cc(Cl)ccc2O)CC(F)(F)C1 ZINC001203664824 1027518354 /nfs/dbraw/zinc/51/83/54/1027518354.db2.gz XPWWHWHJYFOGFM-ZDUSSCGKSA-N 0 0 376.831 3.780 20 10 GHCDRN 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GHCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@H](Cc3cccnc3)C3CCCC3)C2)cc1 ZINC001461491549 1069574815 /nfs/dbraw/zinc/57/48/15/1069574815.db2.gz CZZHCDTYXUYCEX-NFBKMPQASA-N 0 0 393.531 3.834 20 10 GHCDRN CS(=O)(=O)c1cc(Nc2cccc3c2C(=O)c2ccccc2C3=O)ccc1F ZINC001215355117 1029170130 /nfs/dbraw/zinc/17/01/30/1029170130.db2.gz JKTWLLIPLKDMTJ-UHFFFAOYSA-N 0 0 395.411 3.748 20 10 GHCDRN COc1cc(-c2noc(-c3ccc(-n4cccc4)cc3)n2)ccc1OC1COC1 ZINC001215388299 1029184783 /nfs/dbraw/zinc/18/47/83/1029184783.db2.gz BPKYUASEHPGPHA-UHFFFAOYSA-N 0 0 389.411 3.981 20 10 GHCDRN CO[C@@H](Cc1ccccc1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC001142713223 1029314334 /nfs/dbraw/zinc/31/43/34/1029314334.db2.gz RQXWDHRMPMVQPR-PKTZIBPZSA-N 0 0 396.531 3.518 20 10 GHCDRN CC(C)N(C(=O)c1ccc(N(c2ccc(N)cc2)S(C)(=O)=O)cc1)C(C)C ZINC001215659252 1029332320 /nfs/dbraw/zinc/33/23/20/1029332320.db2.gz WFOYHCOGTUMIEQ-UHFFFAOYSA-N 0 0 389.521 3.626 20 10 GHCDRN Cc1cc(C)n(-c2ccc(CC(=O)NCc3ccc4cccnc4c3O)cc2)n1 ZINC001142728194 1029352698 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COc1ccc(N2CCC(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)cc1 ZINC000726561784 1048234386 /nfs/dbraw/zinc/23/43/86/1048234386.db2.gz RMZHAMKFDZWDQB-UHFFFAOYSA-N 0 0 395.415 3.748 20 10 GHCDRN CCc1nnc(N2CCC[C@@H]2[C@H]2CCCO2)n1Cc1ccc(N(CC)CC)cc1 ZINC001306176882 1048493665 /nfs/dbraw/zinc/49/36/65/1048493665.db2.gz QUXCIFVUYKMEMQ-NHCUHLMSSA-N 0 0 397.567 3.883 20 10 GHCDRN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000750671650 1048637827 /nfs/dbraw/zinc/63/78/27/1048637827.db2.gz UCGVLPOLEXCCRR-SRLOGKKOSA-N 0 0 393.597 3.752 20 10 GHCDRN O=C(NCC1(c2ccc3c(c2)OCO3)CCCCC1)c1c(F)ccc(O)c1O ZINC001306435337 1048663247 /nfs/dbraw/zinc/66/32/47/1048663247.db2.gz OIVXVTDUANJJBO-UHFFFAOYSA-N 0 0 387.407 3.598 20 10 GHCDRN CCOC(=O)c1ccc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)nc1 ZINC001287661122 1048866990 /nfs/dbraw/zinc/86/69/90/1048866990.db2.gz NJGGSYBLQRUHTC-UHFFFAOYSA-N 0 0 377.444 3.596 20 10 GHCDRN Cc1cc(C(=O)CN2CCS(=O)CC2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000732201082 1048985291 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Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCc1noc2c1CC(C)(C)CC2 ZINC001312886541 1052902983 /nfs/dbraw/zinc/90/29/83/1052902983.db2.gz WQPRGTKSFPTGMJ-MRXNPFEDSA-N 0 0 398.551 3.994 20 10 GHCDRN CCOC1CC2(C[C@@H]2NC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001313100598 1052957669 /nfs/dbraw/zinc/95/76/69/1052957669.db2.gz MHSCLYIDKKOWJI-QKDPSFTKSA-N 0 0 381.520 3.893 20 10 GHCDRN Cc1cc(CNC(=O)N2CCO[C@H](c3ccco3)C2)c(C)n1-c1ccccc1 ZINC001313131753 1052964922 /nfs/dbraw/zinc/96/49/22/1052964922.db2.gz BNYDDKQBFZTFGH-NRFANRHFSA-N 0 0 379.460 3.970 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H](C(N)=O)c2ccc(F)cc2)c1 ZINC001342675318 1053293002 /nfs/dbraw/zinc/29/30/02/1053293002.db2.gz KOFBVCJWTVPKSN-IBGZPJMESA-N 0 0 399.853 3.843 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-c2ccc(Cl)cc2)nn1C ZINC001342892463 1053415773 /nfs/dbraw/zinc/41/57/73/1053415773.db2.gz HIPIKJBIXXBZFO-GFCCVEGCSA-N 0 0 385.851 3.513 20 10 GHCDRN COc1ccc(Br)cc1NC(=O)NCc1ccc(N(C)C)cc1 ZINC001317944550 1054320362 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GHCDRN COCCOC[C@H]1CCN(C(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)C1 ZINC001323315866 1056952570 /nfs/dbraw/zinc/95/25/70/1056952570.db2.gz UHNKXVQJAXXAEG-KRWDZBQOSA-N 0 0 390.911 3.873 20 10 GHCDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cc(CN(C)C)on1 ZINC001323654848 1056995581 /nfs/dbraw/zinc/99/55/81/1056995581.db2.gz HBDCMYJBKWVXCY-INIZCTEOSA-N 0 0 379.460 3.845 20 10 GHCDRN COc1nc(Cl)c(CN(Cc2ccco2)Cc2ccc(N(C)C)cc2)n1C ZINC001323780207 1057011976 /nfs/dbraw/zinc/01/19/76/1057011976.db2.gz FTBGGTSXAPMVQP-UHFFFAOYSA-N 0 0 388.899 3.944 20 10 GHCDRN CCn1c2cc(F)ccc2nc1NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001323971667 1057046893 /nfs/dbraw/zinc/04/68/93/1057046893.db2.gz DPGNLJBDNCVENB-UHFFFAOYSA-N 0 0 385.462 3.698 20 10 GHCDRN Cc1cc(C)cc(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC001355130520 1057058382 /nfs/dbraw/zinc/05/83/82/1057058382.db2.gz MLLMOGJNIVHBJJ-HDICACEKSA-N 0 0 384.495 3.915 20 10 GHCDRN COc1ccc(N2CCN(C(=O)NCc3cccc(C(F)F)c3)CC2)cc1F ZINC001324276027 1057102452 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COc1ccccc1COC1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001446187986 1059722645 /nfs/dbraw/zinc/72/26/45/1059722645.db2.gz NEAHBWMBXHBAFY-UHFFFAOYSA-N 0 0 396.447 3.679 20 10 GHCDRN CCC(=O)[C@@H]1CCCCN1C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC001446295521 1059749577 /nfs/dbraw/zinc/74/95/77/1059749577.db2.gz GCCMEMVQWCIDGU-NRFANRHFSA-N 0 0 380.488 3.809 20 10 GHCDRN C[C@@H](NC(=O)C[C@@H]1CCNc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC001340192441 1059753724 /nfs/dbraw/zinc/75/37/24/1059753724.db2.gz WWMAAAIEJRHELS-MJGOQNOKSA-N 0 0 379.504 3.690 20 10 GHCDRN CCCO[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccc(F)cc1C ZINC001447561682 1059982387 /nfs/dbraw/zinc/98/23/87/1059982387.db2.gz JQFISTVIFANPJY-VBKZILBWSA-N 0 0 375.440 3.760 20 10 GHCDRN CCN(CCOC)C(=O)c1cc(C)n(-c2ccccc2Br)c1C ZINC001449227186 1060359158 /nfs/dbraw/zinc/35/91/58/1060359158.db2.gz RMOQOEKUPZZBPF-UHFFFAOYSA-N 0 0 379.298 3.965 20 10 GHCDRN CCOC1CN(C(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)C1 ZINC001450261247 1060565035 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COc1ccc(N2CCC(NC(=O)c3ccc(NC(=O)C4CC4)s3)CC2)cc1 ZINC001359816647 1068202849 /nfs/dbraw/zinc/20/28/49/1068202849.db2.gz OHVPIOQWOZDVPA-UHFFFAOYSA-N 0 0 399.516 3.504 20 10 GHCDRN CC1(C)CO[C@H](CCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC001359865176 1068227764 /nfs/dbraw/zinc/22/77/64/1068227764.db2.gz JPZFDNRUVACQFG-GOSISDBHSA-N 0 0 396.478 3.968 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)CCC(=O)c2cc(C)sc2C)cc1 ZINC001469807344 1068401308 /nfs/dbraw/zinc/40/13/08/1068401308.db2.gz YYYISOAZTCLVBF-UHFFFAOYSA-N 0 0 388.533 3.931 20 10 GHCDRN C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NCc1cc(Cl)ccc1O ZINC001469876474 1068442993 /nfs/dbraw/zinc/44/29/93/1068442993.db2.gz GNMSAQZLGZXORC-QMTHXVAHSA-N 0 0 376.815 3.709 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)c2cc3cccc(C(F)(F)F)c3[nH]c2=O)c1 ZINC001470257219 1068649056 /nfs/dbraw/zinc/64/90/56/1068649056.db2.gz GNTBOPKNOHPNAB-UHFFFAOYSA-N 0 0 376.334 3.903 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@@]3(C)CCCc4ccccc43)C2)cc1 ZINC001470773513 1072729646 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10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCc2cc(C3CC3)nn2C)ccc1C ZINC001472040174 1073314559 /nfs/dbraw/zinc/31/45/59/1073314559.db2.gz GLSMXKMLLPAVOF-UHFFFAOYSA-N 0 0 390.487 3.756 20 10 GHCDRN CC(=O)Nc1ccc(S[C@@H](C)C(=O)NCc2cccc(Cl)c2O)cc1 ZINC001472316614 1073416707 /nfs/dbraw/zinc/41/67/07/1073416707.db2.gz ZKGMDSNIVFLSEU-NSHDSACASA-N 0 0 378.881 3.801 20 10 GHCDRN CC(=O)Nc1ccc(S[C@H](C)C(=O)NCc2cccc(Cl)c2O)cc1 ZINC001472316613 1073416812 /nfs/dbraw/zinc/41/68/12/1073416812.db2.gz ZKGMDSNIVFLSEU-LLVKDONJSA-N 0 0 378.881 3.801 20 10 GHCDRN C[C@H](NC(=O)c1c(F)ccc(O)c1O)c1ccc(C(F)(F)F)nc1Cl ZINC001472569312 1073555656 /nfs/dbraw/zinc/55/56/56/1073555656.db2.gz BUFVJBMXPNFUIR-LURJTMIESA-N 0 0 378.709 3.795 20 10 GHCDRN CCn1c(-c2ccc(Br)cc2)cnc1SC[C@@H]1CCN(C)C1=O ZINC001472952448 1073733429 /nfs/dbraw/zinc/73/34/29/1073733429.db2.gz QIGKLIRYQCZQMG-ZDUSSCGKSA-N 0 0 394.338 3.903 20 10 GHCDRN Cc1cc(C(=O)Cn2nnc(-c3ccsc3)n2)c(C)n1-c1ccc(Cl)cn1 ZINC001472961288 1073735886 /nfs/dbraw/zinc/73/58/86/1073735886.db2.gz VXMHJSILHDCQDW-UHFFFAOYSA-N 0 0 398.879 3.740 20 10 GHCDRN Cc1cc(C(=O)Cn2nnc3c(Cl)cccc3c2=O)c(C)n1-c1ccccc1 ZINC001473047844 1073760591 /nfs/dbraw/zinc/76/05/91/1073760591.db2.gz BYVVRXLNXSZEHI-UHFFFAOYSA-N 0 0 392.846 3.735 20 10 GHCDRN COC(=O)[C@@H](c1cccc(C(F)(F)F)c1)N1CCOc2cc(N(C)C)ccc21 ZINC001473344455 1073928932 /nfs/dbraw/zinc/92/89/32/1073928932.db2.gz QAKOVQGOQRXTOW-GOSISDBHSA-N 0 0 394.393 3.885 20 10 GHCDRN Cc1ccc([C@H](CC(F)(F)F)NCC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC001473355296 1073934259 /nfs/dbraw/zinc/93/42/59/1073934259.db2.gz ZGGPWDMQQNIMTJ-IBGZPJMESA-N 0 0 393.453 3.961 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CCOC12CCCC2 ZINC001479535737 1079224868 /nfs/dbraw/zinc/22/48/68/1079224868.db2.gz LGLKQUGNMPQBIF-MRXNPFEDSA-N 0 0 397.313 3.788 20 10 GHCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]CC[C@@H]1CCCCO1 ZINC001474083446 1074258455 /nfs/dbraw/zinc/25/84/55/1074258455.db2.gz BPQAHORJTWTNLJ-LBPRGKRZSA-N 0 0 393.119 3.966 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC001474099801 1074263174 /nfs/dbraw/zinc/26/31/74/1074263174.db2.gz HARQSLBDIXJSGZ-YRGRVCCFSA-N 0 0 378.332 3.763 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC001474391991 1074380965 /nfs/dbraw/zinc/38/09/65/1074380965.db2.gz REOZHAKRXHFOHY-KRWDZBQOSA-N 0 0 384.220 3.526 20 10 GHCDRN Cc1c(Br)cncc1C[NH2+]Cc1cccc(Br)c1[O-] ZINC001474495102 1074432263 /nfs/dbraw/zinc/43/22/63/1074432263.db2.gz FMWYBJIJHCFZIJ-UHFFFAOYSA-N 0 0 386.087 3.910 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC001475402792 1074862041 /nfs/dbraw/zinc/86/20/41/1074862041.db2.gz KTVSRMURZAGVFD-CYBMUJFWSA-N 0 0 384.904 3.763 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC001475402661 1074862175 /nfs/dbraw/zinc/86/21/75/1074862175.db2.gz GJKBFYVDPCYOAB-AWEZNQCLSA-N 0 0 389.496 3.591 20 10 GHCDRN COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@H](C)c1ccccc1O ZINC001475585885 1074920882 /nfs/dbraw/zinc/92/08/82/1074920882.db2.gz NCNWRBNBGIPTBU-LLVKDONJSA-N 0 0 392.864 3.642 20 10 GHCDRN CC(C)CCOc1ccc(S(=O)(=O)NCc2cccc(Cl)c2O)cc1 ZINC001475774786 1075018884 /nfs/dbraw/zinc/01/88/84/1075018884.db2.gz QFXJMDMBRUOKNL-UHFFFAOYSA-N 0 0 383.897 3.949 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccnc(OCC(F)(F)F)c1 ZINC001476337979 1075128291 /nfs/dbraw/zinc/12/82/91/1075128291.db2.gz ACCMFIGGXYMWIE-UHFFFAOYSA-N 0 0 395.381 3.929 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)Nc2ccn(Cc3ccccn3)n2)c1 ZINC001546253321 1079475298 /nfs/dbraw/zinc/47/52/98/1079475298.db2.gz RAAYICAZZCFRBR-UHFFFAOYSA-N 0 0 399.454 3.799 20 10 GHCDRN CCC[C@@H](C)N(C)c1nnc(CC)n1Cc1ccc(N2CCC(CO)CC2)cc1 ZINC001500061042 1079576822 /nfs/dbraw/zinc/57/68/22/1079576822.db2.gz SMBJQMPAFHCMQU-GOSISDBHSA-N 0 0 399.583 3.722 20 10 GHCDRN C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC001658653260 1126263013 /nfs/dbraw/zinc/26/30/13/1126263013.db2.gz ZQHTVGLYRUYWAD-QGZVFWFLSA-N 0 0 386.236 3.516 20 10 GHCDRN C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC001660398731 1126265055 /nfs/dbraw/zinc/26/50/55/1126265055.db2.gz XZWNGTKCIZNWKA-QGZVFWFLSA-N 0 0 384.701 3.891 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)COc1cccc2cccnc21 ZINC001460974448 1069309758 /nfs/dbraw/zinc/30/97/58/1069309758.db2.gz JEJFYUKJDORPMW-QGZVFWFLSA-N 0 0 377.488 3.735 20 10 GHCDRN Cc1cc(C(=O)N([C@H](C)C2CC2)C2CC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737228321 598610549 /nfs/dbraw/zinc/61/05/49/598610549.db2.gz WICUUVWYSMDHEX-CQSZACIVSA-N 0 0 390.491 3.677 20 10 GHCDRN O=C(Nc1ccc(-c2nn[nH]n2)cc1)N(Cc1ccccc1O)C1CCCCC1 ZINC000738152688 598813337 /nfs/dbraw/zinc/81/33/37/598813337.db2.gz XLYNEYUBZRKSNN-UHFFFAOYSA-N 0 0 392.463 3.939 20 10 GHCDRN Clc1ccc(-c2nn[nH]n2)c(N2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000737571017 599401844 /nfs/dbraw/zinc/40/18/44/599401844.db2.gz PWQCBANMEPUUJP-UHFFFAOYSA-N 0 0 377.839 3.690 20 10 GHCDRN Fc1cc(NNC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)ccc1Cl ZINC000822753199 606167870 /nfs/dbraw/zinc/16/78/70/606167870.db2.gz IQRQGKKJMGGLAU-UHFFFAOYSA-N 0 0 398.254 3.626 20 10 GHCDRN Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nn[nH]n4)s3)SC2=S)c1 ZINC000822308281 606394244 /nfs/dbraw/zinc/39/42/44/606394244.db2.gz BNZBVICKCGFYSY-MDWZMJQESA-N 0 0 385.499 3.642 20 10 GHCDRN Clc1ccc(C2=CCN(c3c(-c4nn[nH]n4)cnc4ccccc43)CC2)cn1 ZINC000826351712 608296661 /nfs/dbraw/zinc/29/66/61/608296661.db2.gz XJPMXXGJEYBDDV-UHFFFAOYSA-N 0 0 389.850 3.757 20 10 GHCDRN Cc1c(C(=O)N2CCOc3cc(N(C)C)ccc32)cnn1-c1ccccc1C ZINC000173189458 837591663 /nfs/dbraw/zinc/59/16/63/837591663.db2.gz XQPWEKBTXPLPGG-UHFFFAOYSA-N 0 0 376.460 3.594 20 10 GHCDRN Cc1cc(C(=O)N(C)CC[C@@H](C)O)c(C)n1-c1cccc(Br)c1 ZINC000748059043 834568212 /nfs/dbraw/zinc/56/82/12/834568212.db2.gz MUOZLVQPZXNWAQ-CYBMUJFWSA-N 0 0 379.298 3.700 20 10 GHCDRN Cc1cc(C(=O)N(C)CC[C@H](C)O)c(C)n1-c1cccc(Br)c1 ZINC000748059045 834568462 /nfs/dbraw/zinc/56/84/62/834568462.db2.gz MUOZLVQPZXNWAQ-ZDUSSCGKSA-N 0 0 379.298 3.700 20 10 GHCDRN COc1ccc([C@H](C)CC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1 ZINC000175714717 834608748 /nfs/dbraw/zinc/60/87/48/834608748.db2.gz LXIUMTCUBDRRKF-GOSISDBHSA-N 0 0 382.504 3.936 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3c(C)c4ccccc4oc3=O)CC2)cc1 ZINC000176862248 834695126 /nfs/dbraw/zinc/69/51/26/834695126.db2.gz JGUSRJSIWJAYRM-UHFFFAOYSA-N 0 0 392.455 3.509 20 10 GHCDRN COCc1c(Br)cccc1NCc1ccc(OC)c(OC)c1O ZINC000892346604 834775201 /nfs/dbraw/zinc/77/52/01/834775201.db2.gz XBJAQPXRANPKEF-UHFFFAOYSA-N 0 0 382.254 3.930 20 10 GHCDRN CNC(=O)c1cc2cc(NC(=O)NCc3c(C)c4ccccc4n3C)ccc2[nH]1 ZINC000471420456 837808938 /nfs/dbraw/zinc/80/89/38/837808938.db2.gz YNJPSBQXEZMZGV-UHFFFAOYSA-N 0 0 389.459 3.649 20 10 GHCDRN COCCOc1ncccc1C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000060157380 834876360 /nfs/dbraw/zinc/87/63/60/834876360.db2.gz XORYDNSXTRYBLX-UHFFFAOYSA-N 0 0 397.519 3.806 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)Cc3ccc([Si](C)(C)C)cc3)CC2)cc1 ZINC001125750003 835053497 /nfs/dbraw/zinc/05/34/97/835053497.db2.gz BARCOWXTIBCPIF-UHFFFAOYSA-N 0 0 396.607 3.568 20 10 GHCDRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc2c1OCO2 ZINC000007165948 835056618 /nfs/dbraw/zinc/05/66/18/835056618.db2.gz CYDJRPUATAIRNE-NVNXTCNLSA-N 0 0 389.429 3.969 20 10 GHCDRN COc1cccc(N2CC[C@@H](NC(=O)c3cc(C)n(-c4ccccn4)c3C)C2)c1 ZINC000728192547 835089964 /nfs/dbraw/zinc/08/99/64/835089964.db2.gz KGCVRCFCZCVHRL-GOSISDBHSA-N 0 0 390.487 3.506 20 10 GHCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc3nccnc3c2)cc1 ZINC000120348343 835183468 /nfs/dbraw/zinc/18/34/68/835183468.db2.gz OHDSJANYXJPCHU-HXUWFJFHSA-N 0 0 390.487 3.517 20 10 GHCDRN Cc1cc(C(=O)CN2CCC(C3OCCO3)CC2)c(C)n1-c1cccc(F)c1 ZINC000728927808 844035566 /nfs/dbraw/zinc/03/55/66/844035566.db2.gz GUDHDYPSAUARFG-UHFFFAOYSA-N 0 0 386.467 3.501 20 10 GHCDRN COc1cc(N(C)CC(=O)Nc2c(C)cccc2Cl)cc(OC)c1OC ZINC000132430688 835360259 /nfs/dbraw/zinc/36/02/59/835360259.db2.gz RZAOPHDTALATPT-UHFFFAOYSA-N 0 0 378.856 3.749 20 10 GHCDRN CN1CCCc2cc(CNC(=O)c3ccc(-c4nc(C5CC5)no4)cc3)ccc21 ZINC000176960811 835395286 /nfs/dbraw/zinc/39/52/86/835395286.db2.gz WNJFIGMUKMEIGG-UHFFFAOYSA-N 0 0 388.471 3.926 20 10 GHCDRN CC(C)NC(=O)CN(C)C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000255656986 835455762 /nfs/dbraw/zinc/45/57/62/835455762.db2.gz QXPHRCUECPCNIK-UHFFFAOYSA-N 0 0 381.480 3.765 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc(N2CCOCC2)cc1C ZINC000471176658 835455801 /nfs/dbraw/zinc/45/58/01/835455801.db2.gz LZFSMTJWLMMWSL-UHFFFAOYSA-N 0 0 392.503 3.953 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cc1 ZINC000255668134 835504313 /nfs/dbraw/zinc/50/43/13/835504313.db2.gz QOBASXRBMDAYMM-DOTOQJQBSA-N 0 0 393.491 3.942 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)cc1 ZINC000255668138 835504455 /nfs/dbraw/zinc/50/44/55/835504455.db2.gz QOBASXRBMDAYMM-RDJZCZTQSA-N 0 0 393.491 3.942 20 10 GHCDRN Cc1cncc(/C=C\C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000255724969 835674753 /nfs/dbraw/zinc/67/47/53/835674753.db2.gz PIKCGHCURJMRMR-INDRUJQFSA-N 0 0 387.430 3.790 20 10 GHCDRN CCC(CC)[C@H](O)CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255725939 835675417 /nfs/dbraw/zinc/67/54/17/835675417.db2.gz QGCMKWXYZVTQNF-LJQANCHMSA-N 0 0 382.464 3.954 20 10 GHCDRN O=C1/C(=C\c2ccc(Br)o2)SC(=S)N1CCc1ccccn1 ZINC000255771831 835784635 /nfs/dbraw/zinc/78/46/35/835784635.db2.gz NAWNMLOHFSDDTD-FMIVXFBMSA-N 0 0 395.303 3.881 20 10 GHCDRN CNC(=O)c1ccc(Cl)c(NC(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471202672 835787135 /nfs/dbraw/zinc/78/71/35/835787135.db2.gz HRRDVZCVAJVEOK-UHFFFAOYSA-N 0 0 384.867 3.821 20 10 GHCDRN COc1ccc(N2CCN(C(=O)/C=C\c3nc4ccccc4s3)CC2)cc1F ZINC000255024356 835957731 /nfs/dbraw/zinc/95/77/31/835957731.db2.gz MRHDETZESLEUDO-HJWRWDBZSA-N 0 0 397.475 3.806 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000176834582 835974901 /nfs/dbraw/zinc/97/49/01/835974901.db2.gz VGEAAEKOGDWDCN-UXHICEINSA-N 0 0 385.508 3.924 20 10 GHCDRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471222439 835980389 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CCOc1ccc([C@H]2Nc3ccc(Br)cc3C(=O)N2C)c(O)c1 ZINC000771099874 875039086 /nfs/dbraw/zinc/03/90/86/875039086.db2.gz GTFJYAVYNIFPKR-INIZCTEOSA-N 0 0 377.238 3.750 20 10 GHCDRN COc1ccccc1[C@H](CO)NC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000771149150 875052600 /nfs/dbraw/zinc/05/26/00/875052600.db2.gz MQEWLVWHIQKGNI-FQEVSTJZSA-N 0 0 378.472 3.875 20 10 GHCDRN Cc1cc(C)n(-c2ccc(CCNC(=O)NCc3cc(C)ccc3O)cc2)n1 ZINC000858152401 882890799 /nfs/dbraw/zinc/89/07/99/882890799.db2.gz PIKHWKOXOGYHJQ-UHFFFAOYSA-N 0 0 378.476 3.545 20 10 GHCDRN C[C@@H]1COCCN1c1ccc(NCc2c(O)cccc2Br)cc1 ZINC000858152467 882891055 /nfs/dbraw/zinc/89/10/55/882891055.db2.gz RIQRTAMNSMHHKD-CYBMUJFWSA-N 0 0 377.282 3.992 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CCC(F)(F)C[C@@H]3C)cc2F)C[C@@H](C)O1 ZINC000858154928 882892400 /nfs/dbraw/zinc/89/24/00/882892400.db2.gz WDFKGBVTMUFFME-RRFJBIMHSA-N 0 0 399.457 3.769 20 10 GHCDRN O=C(NCc1ccccc1O)Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000771191596 875103497 /nfs/dbraw/zinc/10/34/97/875103497.db2.gz PPRFGILJYJJZNM-UHFFFAOYSA-N 0 0 376.338 3.918 20 10 GHCDRN Cn1ncc(-c2noc(-c3ccc(-n4cccc4)c(F)c3)n2)c1Br ZINC000771553100 875330951 /nfs/dbraw/zinc/33/09/51/875330951.db2.gz QLVXESNXQWLUDZ-UHFFFAOYSA-N 0 0 388.200 3.829 20 10 GHCDRN COc1cccc(CNC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)c1O ZINC000105650957 875355888 /nfs/dbraw/zinc/35/58/88/875355888.db2.gz FTBINKBIDFUGQN-HUUCEWRRSA-N 0 0 376.250 3.583 20 10 GHCDRN S=C(NCc1cc(OC2CCOCC2)ccn1)Nc1ccccc1Cl ZINC001200870493 875371875 /nfs/dbraw/zinc/37/18/75/875371875.db2.gz LTYXZTDXCDLLNY-UHFFFAOYSA-N 0 0 377.897 3.779 20 10 GHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cccc3nccn32)cc1 ZINC000771808808 875488844 /nfs/dbraw/zinc/48/88/44/875488844.db2.gz VFVQSLHVMGVDSV-UHFFFAOYSA-N 0 0 376.382 3.605 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccsc1C(F)(F)F ZINC000858201162 882935089 /nfs/dbraw/zinc/93/50/89/882935089.db2.gz IMFQBVGBACVRLF-UHFFFAOYSA-N 0 0 384.423 3.876 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cc(C=O)c(OC)cc2OC)cc1 ZINC000858201538 882935208 /nfs/dbraw/zinc/93/52/08/882935208.db2.gz PEZCZBHMSWLFTG-UHFFFAOYSA-N 0 0 384.476 3.635 20 10 GHCDRN CN(C)c1ccc(/C=C/CNc2cccc(Cn3nc4ccccn4c3=O)c2)cc1 ZINC001201280847 875588376 /nfs/dbraw/zinc/58/83/76/875588376.db2.gz ILRAGWKRTGWNGM-SOFGYWHQSA-N 0 0 399.498 3.736 20 10 GHCDRN COc1ccc(C(=O)N(C)C)cc1NCc1cc(C)cc(Br)c1O ZINC001201257669 875596063 /nfs/dbraw/zinc/59/60/63/875596063.db2.gz UCLKJGYLFZJCPW-UHFFFAOYSA-N 0 0 393.281 3.786 20 10 GHCDRN CC[C@@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1nnc2n1CCCCC2 ZINC000776159917 875651981 /nfs/dbraw/zinc/65/19/81/875651981.db2.gz WPKQFRYWVNFMKQ-CRAIPNDOSA-N 0 0 384.528 3.582 20 10 GHCDRN C[C@H](NC(=O)NCc1ncc(-c2ccccc2)cn1)c1ccc(N(C)C)cc1 ZINC000776183041 875675404 /nfs/dbraw/zinc/67/54/04/875675404.db2.gz SKZIYXQYUUMJPC-INIZCTEOSA-N 0 0 375.476 3.770 20 10 GHCDRN CCC[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000776173844 875691628 /nfs/dbraw/zinc/69/16/28/875691628.db2.gz APRDFZXZARBKRM-CYBMUJFWSA-N 0 0 381.108 3.558 20 10 GHCDRN CCOC(=O)c1nn(-c2ccccc2)cc1CNCc1ccc(N(C)C)cc1C ZINC000776173879 875691746 /nfs/dbraw/zinc/69/17/46/875691746.db2.gz CGJFZGBCEGYONE-UHFFFAOYSA-N 0 0 392.503 3.713 20 10 GHCDRN C[C@H](NC(=O)N1CCC(C(=O)OC(C)(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000776237950 875996797 /nfs/dbraw/zinc/99/67/97/875996797.db2.gz KQTWTHLOEKPDQZ-HNNXBMFYSA-N 0 0 375.513 3.577 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@H](CCO)Cc1ccccc1 ZINC001202135150 876016615 /nfs/dbraw/zinc/01/66/15/876016615.db2.gz NHGGWUCHVJLTCS-OAHLLOKOSA-N 0 0 384.701 3.891 20 10 GHCDRN C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000776245841 876027355 /nfs/dbraw/zinc/02/73/55/876027355.db2.gz OUJQEONSGINUIJ-DYESRHJHSA-N 0 0 397.519 3.910 20 10 GHCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000776247163 876040382 /nfs/dbraw/zinc/04/03/82/876040382.db2.gz AMWBEPDCCOXVGR-OTCDBFHCSA-N 0 0 393.119 3.558 20 10 GHCDRN CCOc1cccc(CCC(=O)NCc2cc(Br)ccc2O)c1 ZINC000529387683 876060565 /nfs/dbraw/zinc/06/05/65/876060565.db2.gz LQDJIIBIZFKGFP-UHFFFAOYSA-N 0 0 378.266 3.802 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1CCc2ccc(F)cc21 ZINC000106538265 876100575 /nfs/dbraw/zinc/10/05/75/876100575.db2.gz HOKXFLBSDRCNND-QFIPXVFZSA-N 0 0 397.494 3.521 20 10 GHCDRN Cc1ccc(N2CCNC2=O)cc1NCc1cccc(Br)c1O ZINC000785551832 876104302 /nfs/dbraw/zinc/10/43/02/876104302.db2.gz YOQKNXDXRFAZJL-UHFFFAOYSA-N 0 0 376.254 3.605 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C2CC2)cc1 ZINC000785608705 876129973 /nfs/dbraw/zinc/12/99/73/876129973.db2.gz NPRWJDPEDGXPCN-VAMGGRTRSA-N 0 0 397.563 3.719 20 10 GHCDRN O=C(O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1cccc(O)c1O ZINC000776282723 876175110 /nfs/dbraw/zinc/17/51/10/876175110.db2.gz VOBNHHXJNSDXCP-LJQANCHMSA-N 0 0 381.359 3.774 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)NCC2CC2)cc1 ZINC000921448423 883005970 /nfs/dbraw/zinc/00/59/70/883005970.db2.gz LLVRQLBESJWQCS-UHFFFAOYSA-N 0 0 380.448 3.851 20 10 GHCDRN CC(C)COc1ccc(CC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000106634488 876226090 /nfs/dbraw/zinc/22/60/90/876226090.db2.gz IBPTXWBHQGLRCF-IBGZPJMESA-N 0 0 396.531 3.978 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2cc(C)nnc2C)c(C)n1-c1ccc(F)cc1 ZINC000786023103 876391044 /nfs/dbraw/zinc/39/10/44/876391044.db2.gz FWVCVYPRRDSJHX-UHFFFAOYSA-N 0 0 381.407 3.680 20 10 GHCDRN C[C@@H](NC(=S)N[C@@H](C)Cc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000786066786 876411080 /nfs/dbraw/zinc/41/10/80/876411080.db2.gz GVFLMMKAWMPGCR-ZWKOTPCHSA-N 0 0 383.561 3.680 20 10 GHCDRN Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2C)n(-c2cc(C)ccn2)n1 ZINC000786091079 876437772 /nfs/dbraw/zinc/43/77/72/876437772.db2.gz ISNFFRZOSBPJEL-UHFFFAOYSA-N 0 0 378.480 3.580 20 10 GHCDRN CC[S@](=O)c1ccccc1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108295867 876452732 /nfs/dbraw/zinc/45/27/32/876452732.db2.gz YXVSZEAHXQCXIL-HHHXNRCGSA-N 0 0 384.545 3.980 20 10 GHCDRN COc1cc(C)c([C@H](C)NC(=O)COc2ccc(N3CCCC3)cc2)cc1OC ZINC000152003454 876472097 /nfs/dbraw/zinc/47/20/97/876472097.db2.gz FAVVUXNZYUPEKV-KRWDZBQOSA-N 0 0 398.503 3.869 20 10 GHCDRN COc1cc(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)ccc1O ZINC000108548550 876487364 /nfs/dbraw/zinc/48/73/64/876487364.db2.gz NZSLWBJESWMVOW-UHFFFAOYSA-N 0 0 383.492 3.637 20 10 GHCDRN Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(C)n1[C@@H]1CCOC1 ZINC000858341682 883036140 /nfs/dbraw/zinc/03/61/40/883036140.db2.gz KGASUYBQBYDVOH-OAQYLSRUSA-N 0 0 381.520 3.937 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2cccnc2-c2cnn(C)c2)cc1 ZINC000786208614 876527370 /nfs/dbraw/zinc/52/73/70/876527370.db2.gz LBLFCXAZNNFNGH-UHFFFAOYSA-N 0 0 392.507 3.992 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)N1CCc2sccc2C1 ZINC000108928748 876540037 /nfs/dbraw/zinc/54/00/37/876540037.db2.gz IGRRSKPAMOIYPP-MRXNPFEDSA-N 0 0 387.549 3.822 20 10 GHCDRN C[C@@H]1[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)CCN1C(=O)OC(C)(C)C ZINC000786251967 876552358 /nfs/dbraw/zinc/55/23/58/876552358.db2.gz FRXDVYNYFXMQFC-VQIMIIECSA-N 0 0 387.524 3.549 20 10 GHCDRN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)Sc1ncc(Cl)s1 ZINC000849998982 876583544 /nfs/dbraw/zinc/58/35/44/876583544.db2.gz VDLKTLUEMGZTMJ-LLVKDONJSA-N 0 0 383.926 3.649 20 10 GHCDRN OCC1CCN(c2ccc(CNc3nc4ccccc4n4cncc34)cc2)CC1 ZINC000858354934 883044045 /nfs/dbraw/zinc/04/40/45/883044045.db2.gz WKEMZVOYKMZMHX-UHFFFAOYSA-N 0 0 387.487 3.703 20 10 GHCDRN Cn1cc(-c2c[nH]cc2C(=O)N2CC3(CC3)c3ccc(Br)cc32)cn1 ZINC000529823275 876716960 /nfs/dbraw/zinc/71/69/60/876716960.db2.gz VNIDJAOVUSHSTM-UHFFFAOYSA-N 0 0 397.276 3.870 20 10 GHCDRN Cc1cc(C)n2c(nn(CN(C)Cc3ccc(N4CCCCC4)cc3)c2=S)n1 ZINC000007317278 876726006 /nfs/dbraw/zinc/72/60/06/876726006.db2.gz WHAJJYIFLPXYPI-UHFFFAOYSA-N 0 0 396.564 3.957 20 10 GHCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)c2nc(C(F)(F)F)ns2)cc1 ZINC000804573619 883058478 /nfs/dbraw/zinc/05/84/78/883058478.db2.gz NFUSZVHOONXBTE-CQSZACIVSA-N 0 0 386.443 3.809 20 10 GHCDRN Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])cc1 ZINC000786584501 876772585 /nfs/dbraw/zinc/77/25/85/876772585.db2.gz UGGTXPUTRQTCHU-IUODEOHRSA-N 0 0 382.273 3.856 20 10 GHCDRN COCCNC(=O)c1cccc(NCc2cc(OC)cc(C(C)(C)C)c2O)c1 ZINC000850294274 876788982 /nfs/dbraw/zinc/78/89/82/876788982.db2.gz DORNJYKULZWMIZ-UHFFFAOYSA-N 0 0 386.492 3.687 20 10 GHCDRN Cc1nc([C@@H](NCc2ccc(N3CCOCC3)cc2)c2ccc(Cl)cc2)no1 ZINC000180191828 883066229 /nfs/dbraw/zinc/06/62/29/883066229.db2.gz DNLMKIAURHUXHC-FQEVSTJZSA-N 0 0 398.894 3.747 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+]Cc2cccnc2N2CCCC2)c1 ZINC000850352931 876843846 /nfs/dbraw/zinc/84/38/46/876843846.db2.gz MSXZYOXRAVLICX-UHFFFAOYSA-N 0 0 376.298 3.748 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000152111413 876872711 /nfs/dbraw/zinc/87/27/11/876872711.db2.gz GDOCTWBMCYLKNO-OAQYLSRUSA-N 0 0 379.460 3.552 20 10 GHCDRN CC1(C)CCC(SCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000786749647 876903596 /nfs/dbraw/zinc/90/35/96/876903596.db2.gz SKOWGEMAXQDFKR-UHFFFAOYSA-N 0 0 394.556 3.981 20 10 GHCDRN C[C@H](NC(=O)C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000786814106 876970464 /nfs/dbraw/zinc/97/04/64/876970464.db2.gz BRPHNUUUCXUQKI-INIZCTEOSA-N 0 0 381.520 3.544 20 10 GHCDRN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ncc(Br)s1 ZINC000850565114 877030970 /nfs/dbraw/zinc/03/09/70/877030970.db2.gz ALJDREGJWKAULG-GFCCVEGCSA-N 0 0 396.354 3.718 20 10 GHCDRN Cc1ccc(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1N1CCNC1=O ZINC000786986146 877091135 /nfs/dbraw/zinc/09/11/35/877091135.db2.gz BBBLPGLGTNHKLO-INIZCTEOSA-N 0 0 398.482 3.673 20 10 GHCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000850694550 877099780 /nfs/dbraw/zinc/09/97/80/877099780.db2.gz JVNSASMCSMUJBQ-CVEARBPZSA-N 0 0 378.432 3.535 20 10 GHCDRN Cc1cnc(CC(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)s1 ZINC000787025842 877103050 /nfs/dbraw/zinc/10/30/50/877103050.db2.gz MFLTXXKXSCNZQJ-UHFFFAOYSA-N 0 0 386.448 3.967 20 10 GHCDRN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@@]1(C)CO ZINC000850707341 877109558 /nfs/dbraw/zinc/10/95/58/877109558.db2.gz RFHMYYIESPNPIH-VFNWGFHPSA-N 0 0 380.448 3.517 20 10 GHCDRN Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)NCc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000787041808 877115403 /nfs/dbraw/zinc/11/54/03/877115403.db2.gz LZZROWYEXPTCDZ-DENIHFKCSA-N 0 0 393.531 3.919 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCCN1c1ccccc1 ZINC000787054503 877145933 /nfs/dbraw/zinc/14/59/33/877145933.db2.gz SGOJEHVFJPZJEE-NRFANRHFSA-N 0 0 381.545 3.525 20 10 GHCDRN Cc1cc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1N ZINC000850777076 877167136 /nfs/dbraw/zinc/16/71/36/877167136.db2.gz GRINJBSKHYYELZ-HNNXBMFYSA-N 0 0 390.434 3.969 20 10 GHCDRN Cc1cc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)ccc1N ZINC000850780981 877170752 /nfs/dbraw/zinc/17/07/52/877170752.db2.gz NYRNWXSGEJIIIQ-GJZGRUSLSA-N 0 0 386.471 3.652 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NC[C@H](c3cccnc3)C(C)C)CC2)cc1 ZINC000175487107 877229262 /nfs/dbraw/zinc/22/92/62/877229262.db2.gz LTXLCTKAJGCXNE-QFIPXVFZSA-N 0 0 396.535 3.798 20 10 GHCDRN Cc1cc(F)cc2[nH]c(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc21 ZINC000175544027 877294225 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Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1OC(C)C ZINC000787560936 877481959 /nfs/dbraw/zinc/48/19/59/877481959.db2.gz XOZZDBWHUVDVPE-MRXNPFEDSA-N 0 0 383.492 3.664 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NC[C@@H](O)C(F)(F)F)cc1 ZINC000772706535 877625622 /nfs/dbraw/zinc/62/56/22/877625622.db2.gz FMUTVYJAFOKRCD-MRXNPFEDSA-N 0 0 380.370 3.821 20 10 GHCDRN CCOc1ccc([C@@H]2CCCN2C(=O)CN(C)c2ccc(OC)c(OC)c2)cc1 ZINC000067984669 877729285 /nfs/dbraw/zinc/72/92/85/877729285.db2.gz LUVYKQZLWSYVIK-FQEVSTJZSA-N 0 0 398.503 3.902 20 10 GHCDRN O=C(c1ccncc1)c1ccccc1Nc1cnn(CCO[C@@H]2CCCCO2)c1 ZINC001212956993 912277393 /nfs/dbraw/zinc/27/73/93/912277393.db2.gz MLGVBSWUAIPPAC-OAQYLSRUSA-N 0 0 392.459 3.796 20 10 GHCDRN Cc1cc(C(=O)NCC(=O)Nc2cccnc2)c(C)n1-c1cccc(Cl)c1 ZINC000110200046 877900696 /nfs/dbraw/zinc/90/06/96/877900696.db2.gz ZBLYGCGQULPDJZ-UHFFFAOYSA-N 0 0 382.851 3.511 20 10 GHCDRN CC(C)(C)[C@H](NC(=O)C(=O)NCCCSc1nccs1)c1ccccc1 ZINC000788231758 877901054 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880121032 /nfs/dbraw/zinc/12/10/32/880121032.db2.gz DUBRSHSNQWKSDP-MRXNPFEDSA-N 0 0 398.812 3.744 20 10 GHCDRN C[C@@H](O)[C@@](C)(C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])Cc1ccccc1 ZINC000791002367 880128193 /nfs/dbraw/zinc/12/81/93/880128193.db2.gz GROTYYDYCPICHV-BFUOFWGJSA-N 0 0 378.856 3.673 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(c2ccc(CN3Cc4cccc(O)c4C3)o2)CC1 ZINC001183453204 912547294 /nfs/dbraw/zinc/54/72/94/912547294.db2.gz ADQLXUCZMRFDMI-UHFFFAOYSA-N 0 0 399.491 3.558 20 10 GHCDRN COCCN(C(=O)NCc1ccc2c(c1)CCCN2C)[C@@H](C)c1ccccc1 ZINC000746981043 880222601 /nfs/dbraw/zinc/22/26/01/880222601.db2.gz IBTYXBOJFJUHNN-SFHVURJKSA-N 0 0 381.520 3.988 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(CCO)cc3OC)c2C)cc1 ZINC000791245395 880305080 /nfs/dbraw/zinc/30/50/80/880305080.db2.gz MNVWCGHMMMIYGO-UHFFFAOYSA-N 0 0 394.471 3.898 20 10 GHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2COc3ccccc32)cc1 ZINC000113049559 880307133 /nfs/dbraw/zinc/30/71/33/880307133.db2.gz PAQLAMNIVQVSMC-QGZVFWFLSA-N 0 0 378.394 3.820 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1nc(-c2ccccc2)cs1 ZINC000791336274 880339523 /nfs/dbraw/zinc/33/95/23/880339523.db2.gz NPONXIAWZUWYNK-UHFFFAOYSA-N 0 0 379.485 3.577 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cc(Cl)c(C)cc3[N+](=O)[O-])C2)cc1 ZINC000855225828 880369815 /nfs/dbraw/zinc/36/98/15/880369815.db2.gz QTRWOOYTPMLRIH-CYBMUJFWSA-N 0 0 389.839 3.574 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)[C@H]3C[C@H]3c3cc(F)c(F)c(F)c3)C2)cc1 ZINC000855227962 880371833 /nfs/dbraw/zinc/37/18/33/880371833.db2.gz SHNXVAZRFMNWAO-JQFCIGGWSA-N 0 0 390.405 3.611 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(-n4nc(C)cc4C)cc3)C2)cc1 ZINC000855229838 880374213 /nfs/dbraw/zinc/37/42/13/880374213.db2.gz RQCJZPCLDXLWBS-LJQANCHMSA-N 0 0 390.487 3.506 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(F)cc3Br)C2)cc1 ZINC000855230349 880375462 /nfs/dbraw/zinc/37/54/62/880375462.db2.gz VOLPWVMDCZQSQK-CYBMUJFWSA-N 0 0 393.256 3.606 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)Oc3ccc(SC)cc3)C2)cc1 ZINC000855230702 880375764 /nfs/dbraw/zinc/37/57/64/880375764.db2.gz IDQGBMYBOMTLLW-JKSUJKDBSA-N 0 0 386.517 3.580 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3nc(-c4ccco4)sc3C)C2)cc1 ZINC000855232797 880377565 /nfs/dbraw/zinc/37/75/65/880377565.db2.gz USYFLCFEEFLYJL-AWEZNQCLSA-N 0 0 383.473 3.729 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3[nH]c4ccc(F)cc4c3Cl)C2)cc1 ZINC000855232998 880377669 /nfs/dbraw/zinc/37/76/69/880377669.db2.gz VMJZXIDVMBCINB-ZDUSSCGKSA-N 0 0 387.842 3.978 20 10 GHCDRN COc1ccc(S[C@H](C)C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000855232503 880377763 /nfs/dbraw/zinc/37/77/63/880377763.db2.gz RGAGDDZSVWEZNC-HZPDHXFCSA-N 0 0 386.517 3.580 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3cnc(C)c(Cl)c3Cl)C2)cc1 ZINC000855234045 880379062 /nfs/dbraw/zinc/37/90/62/880379062.db2.gz RBSUGOUTKKBYAA-LBPRGKRZSA-N 0 0 380.275 3.714 20 10 GHCDRN CC[C@@H](C)n1ncc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1C1CC1 ZINC000855233723 880379087 /nfs/dbraw/zinc/37/90/87/880379087.db2.gz LGWNHHVXFGDXEX-WBVHZDCISA-N 0 0 382.508 3.749 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cc(Cl)nc(C(F)(F)F)c3)C2)cc1 ZINC000855234325 880379159 /nfs/dbraw/zinc/37/91/59/880379159.db2.gz XGTHYXVUSOZGQX-GFCCVEGCSA-N 0 0 399.800 3.771 20 10 GHCDRN CO[C@@H]1CCC[C@@H]([C@H](CO)NC(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC000855350953 880474665 /nfs/dbraw/zinc/47/46/65/880474665.db2.gz XYWBJISAARTJQM-SBHAEUEKSA-N 0 0 384.520 3.698 20 10 GHCDRN Cc1nc2ccc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)cc2o1 ZINC000791525334 880481347 /nfs/dbraw/zinc/48/13/47/880481347.db2.gz FAEVUOBWBLHIOK-KBPBESRZSA-N 0 0 397.450 3.819 20 10 GHCDRN CCC(CC)NC(=O)[C@H]1CN(C(=O)/C=C/c2scnc2C)c2ccccc2O1 ZINC000776811633 880513046 /nfs/dbraw/zinc/51/30/46/880513046.db2.gz BLRBFWRKILPPBM-DOJUMQAQSA-N 0 0 399.516 3.564 20 10 GHCDRN CCS[C@H]1CCCC[C@H]1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761601835 880630020 /nfs/dbraw/zinc/63/00/20/880630020.db2.gz WKDZTWRFQHLOKQ-ZBFHGGJFSA-N 0 0 382.913 3.874 20 10 GHCDRN COC(=O)[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)[C@@H]2CCCC[C@@H]12 ZINC000855642728 880655331 /nfs/dbraw/zinc/65/53/31/880655331.db2.gz KHYSDQZZWUOBAW-NLWGTHIKSA-N 0 0 395.503 3.683 20 10 GHCDRN Cc1cc(CC(=O)NCCc2cncc(C)n2)c(C)n1-c1ccc(Cl)cc1 ZINC000855953678 880869932 /nfs/dbraw/zinc/86/99/32/880869932.db2.gz CFMNZZOYNVCASO-UHFFFAOYSA-N 0 0 382.895 3.747 20 10 GHCDRN CCC[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@@H](O)c1ccccc1 ZINC000792057410 880871243 /nfs/dbraw/zinc/87/12/43/880871243.db2.gz DBLHDTPQKVPPMZ-IRLDBZIGSA-N 0 0 381.520 3.771 20 10 GHCDRN CC1(CCNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC000792032879 880886211 /nfs/dbraw/zinc/88/62/11/880886211.db2.gz JDKAQSKTMZUMBG-UHFFFAOYSA-N 0 0 385.430 3.531 20 10 GHCDRN COCCC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000792093312 880922702 /nfs/dbraw/zinc/92/27/02/880922702.db2.gz RZOWWJFMKYBURC-NRFANRHFSA-N 0 0 383.536 3.898 20 10 GHCDRN Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3c([O-])ccc(Cl)c3F)C2)nc1 ZINC000792162079 880929288 /nfs/dbraw/zinc/92/92/88/880929288.db2.gz BMNKAELSJGOKBF-CYBMUJFWSA-N 0 0 377.847 3.739 20 10 GHCDRN COC(=O)C(C)(C)n1cc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cn1 ZINC000856087656 880956075 /nfs/dbraw/zinc/95/60/75/880956075.db2.gz AADUCGDPALTQMK-UHFFFAOYSA-N 0 0 398.438 3.590 20 10 GHCDRN COC(=O)CN(Cc1ccc(Br)o1)Cc1cc(Cl)ccc1O ZINC000792167549 880959371 /nfs/dbraw/zinc/95/93/71/880959371.db2.gz JXXFDTCNKQXQNG-UHFFFAOYSA-N 0 0 388.645 3.576 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccn(C2CCCCC2)n1 ZINC000792189359 880977497 /nfs/dbraw/zinc/97/74/97/880977497.db2.gz LCMJJPSLISSVFO-UHFFFAOYSA-N 0 0 396.535 3.527 20 10 GHCDRN O=C(CCCc1c[nH]c2ccccc12)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856208517 881041453 /nfs/dbraw/zinc/04/14/53/881041453.db2.gz PAONLDUVYQPIBT-UHFFFAOYSA-N 0 0 391.515 3.768 20 10 GHCDRN CC(C)Cc1ccc(CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000856207989 881041505 /nfs/dbraw/zinc/04/15/05/881041505.db2.gz FGSFPLGHPVUSLB-UHFFFAOYSA-N 0 0 380.532 3.705 20 10 GHCDRN CC[C@@H](C)n1ncc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1C1CC1 ZINC000856211975 881046671 /nfs/dbraw/zinc/04/66/71/881046671.db2.gz FKQNSJODEZSBLF-MRXNPFEDSA-N 0 0 396.535 3.623 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(F)c2ccccc12 ZINC000856213751 881048608 /nfs/dbraw/zinc/04/86/08/881048608.db2.gz WLNUGKRFKACFFH-UHFFFAOYSA-N 0 0 378.447 3.870 20 10 GHCDRN Cc1cnc(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1 ZINC000792346606 881070713 /nfs/dbraw/zinc/07/07/13/881070713.db2.gz OBTIJADGNHSLNE-UHFFFAOYSA-N 0 0 375.388 3.996 20 10 GHCDRN CC[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(OC)cc1 ZINC000127408071 881082645 /nfs/dbraw/zinc/08/26/45/881082645.db2.gz ZXWYIYRBCMZBMB-QFIPXVFZSA-N 0 0 397.519 3.825 20 10 GHCDRN Cc1cc(C(=O)N2CCC(N3CCOC3=O)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000856294538 881089708 /nfs/dbraw/zinc/08/97/08/881089708.db2.gz KBPTYYGZYYPRLG-UHFFFAOYSA-N 0 0 395.503 3.768 20 10 GHCDRN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[C@H](C)c1ccccc1 ZINC000174888140 881098114 /nfs/dbraw/zinc/09/81/14/881098114.db2.gz BUXOKSCPPDFFGH-RBUKOAKNSA-N 0 0 381.520 3.857 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)CN[C@H](c2ccc(F)cc2)C(F)(F)F)cc1 ZINC000792461251 881112092 /nfs/dbraw/zinc/11/20/92/881112092.db2.gz XQSMDMAYXGGVIO-LJQANCHMSA-N 0 0 397.416 3.743 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnc(Cc2ccccc2F)s1 ZINC000187488813 881210910 /nfs/dbraw/zinc/21/09/10/881210910.db2.gz JUWKDUVFLQXFEN-UHFFFAOYSA-N 0 0 397.475 3.978 20 10 GHCDRN CC(C)c1ccccc1OCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000919969136 881306605 /nfs/dbraw/zinc/30/66/05/881306605.db2.gz XEHFVVXXLXOSPS-UHFFFAOYSA-N 0 0 396.531 3.714 20 10 GHCDRN CCc1c(C(=O)N2CCOc3cc(N(C)C)ccc32)cnn1-c1ccccc1 ZINC000188906372 881339461 /nfs/dbraw/zinc/33/94/61/881339461.db2.gz OEVJJIGVRBAXAL-UHFFFAOYSA-N 0 0 376.460 3.540 20 10 GHCDRN Cc1ccc(C2(C(=O)N3CCOc4cc(N(C)C)ccc43)CCOCC2)cc1 ZINC000188905744 881339777 /nfs/dbraw/zinc/33/97/77/881339777.db2.gz CTMYRVSVKXWKFE-UHFFFAOYSA-N 0 0 380.488 3.535 20 10 GHCDRN C[C@H]1CSC(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)=N1 ZINC000760185083 883128911 /nfs/dbraw/zinc/12/89/11/883128911.db2.gz ZZEIKMWWLJZVTC-NSHDSACASA-N 0 0 396.493 3.625 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)NCC(C)(C)c3ccc(C)cn3)C2)cc1 ZINC000858552541 883191591 /nfs/dbraw/zinc/19/15/91/883191591.db2.gz UEHJJDWDNAGTSV-GOSISDBHSA-N 0 0 396.535 3.502 20 10 GHCDRN Cc1nnc2c3ccccc3c(NCc3cccc(Br)c3O)nn12 ZINC000804654651 883201816 /nfs/dbraw/zinc/20/18/16/883201816.db2.gz VTRKTXWXOBCNEN-UHFFFAOYSA-N 0 0 384.237 3.666 20 10 GHCDRN CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2cc(Br)cc(Br)c2[O-])C1 ZINC000858593120 883221561 /nfs/dbraw/zinc/22/15/61/883221561.db2.gz SZZSSOLNTLHOMX-ATZCPNFKSA-N 0 0 393.119 3.993 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CC(C)(C)OC3(C)C)cc2F)C[C@H](C)O1 ZINC000858625864 883241248 /nfs/dbraw/zinc/24/12/48/883241248.db2.gz FDEGZNBGXZQKPY-HLLBOEOZSA-N 0 0 392.515 3.649 20 10 GHCDRN CC1(C)CCC[C@H]1CCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000858649396 883254833 /nfs/dbraw/zinc/25/48/33/883254833.db2.gz VAELIAGFVXWCFA-KRWDZBQOSA-N 0 0 391.531 3.802 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC(c3nc(C)no3)CC2)c1 ZINC000858674125 883274664 /nfs/dbraw/zinc/27/46/64/883274664.db2.gz GQUNSSLEWKLSHO-UHFFFAOYSA-N 0 0 392.459 3.618 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC[C@@H](c2nc(C)no2)C1 ZINC000858674689 883276154 /nfs/dbraw/zinc/27/61/54/883276154.db2.gz WNHIMMQUNKPQIB-QGZVFWFLSA-N 0 0 392.459 3.618 20 10 GHCDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1cc(Br)ccc1O ZINC000804739419 883298547 /nfs/dbraw/zinc/29/85/47/883298547.db2.gz FXZCDNVYXTZURS-UHFFFAOYSA-N 0 0 399.628 3.955 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)c1cc(F)c(F)c(F)c1F ZINC000804739916 883300199 /nfs/dbraw/zinc/30/01/99/883300199.db2.gz YQVDWNKUKGQHTB-UHFFFAOYSA-N 0 0 378.119 3.641 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000804741403 883301381 /nfs/dbraw/zinc/30/13/81/883301381.db2.gz XCUOJXWCYBRSDX-OAHLLOKOSA-N 0 0 390.277 3.979 20 10 GHCDRN COc1ccc(SCC(=O)NCc2cc(Br)ccc2O)cc1 ZINC000804735212 883317616 /nfs/dbraw/zinc/31/76/16/883317616.db2.gz 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CO[C@@H](C)c1nsc(NC(=O)NCc2cc(C)n(-c3ccccc3)c2C)n1 ZINC000861124677 885265844 /nfs/dbraw/zinc/26/58/44/885265844.db2.gz LLVKFOCMUQZKMA-AWEZNQCLSA-N 0 0 385.493 3.975 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1 ZINC000118031484 885284995 /nfs/dbraw/zinc/28/49/95/885284995.db2.gz DSRNAYSIJDDNBV-SFHVURJKSA-N 0 0 396.535 3.776 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000807181810 885304824 /nfs/dbraw/zinc/30/48/24/885304824.db2.gz UKTJABLOTQKNHF-TZIWHRDSSA-N 0 0 394.515 3.658 20 10 GHCDRN CCCC(=O)NCC(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000914987883 885317546 /nfs/dbraw/zinc/31/75/46/885317546.db2.gz PDIGQDACMUHOID-UHFFFAOYSA-N 0 0 382.420 3.500 20 10 GHCDRN CN1c2ccccc2C(=O)N(Cc2ccco2)[C@H]1c1c[nH]nc1-c1cccnc1 ZINC000131084935 885473486 /nfs/dbraw/zinc/47/34/86/885473486.db2.gz ZLKMQTSWUIUJRL-NRFANRHFSA-N 0 0 385.427 3.856 20 10 GHCDRN COc1cccnc1CC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000807476699 885503174 /nfs/dbraw/zinc/50/31/74/885503174.db2.gz JTQBGJIFOMWGHE-HNNXBMFYSA-N 0 0 387.911 3.839 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)Nc2cc(C3CCOCC3)nn2C)C2CC2)cc1 ZINC000861519506 885602203 /nfs/dbraw/zinc/60/22/03/885602203.db2.gz RWEVYAPEEGWBFZ-UHFFFAOYSA-N 0 0 397.523 3.577 20 10 GHCDRN C[C@H](NC(=O)C(=O)N1CCC[C@@H]1/C=C\c1ccccc1)c1ccc(N(C)C)cc1 ZINC000807678209 885627785 /nfs/dbraw/zinc/62/77/85/885627785.db2.gz VQSYXFUPXOHCFM-YMRGIHSJSA-N 0 0 391.515 3.634 20 10 GHCDRN Cc1cc(C(=O)NCC2=CCCOC2)c(C)n1-c1cccc(Br)c1 ZINC000807850084 885779506 /nfs/dbraw/zinc/77/95/06/885779506.db2.gz IANQGZOUZBTDRO-UHFFFAOYSA-N 0 0 389.293 3.933 20 10 GHCDRN CCC[C@@]1(CO)CCN(C(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)C1 ZINC000861746211 885818458 /nfs/dbraw/zinc/81/84/58/885818458.db2.gz IUZDQEDWGOVOBG-HSZRJFAPSA-N 0 0 382.504 3.840 20 10 GHCDRN CCC(=O)N1CC[C@@H](NC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C1 ZINC000762250800 885850736 /nfs/dbraw/zinc/85/07/36/885850736.db2.gz MGNSUTHBBFKYGL-LJQANCHMSA-N 0 0 381.520 3.958 20 10 GHCDRN COc1ccc(N2C(=O)C3(CCCC3)N[C@@H]2c2cc(C)c(C)cc2O)cc1OC ZINC000747441760 885918994 /nfs/dbraw/zinc/91/89/94/885918994.db2.gz ZXNWDGIKNUOGJI-NRFANRHFSA-N 0 0 396.487 3.974 20 10 GHCDRN Cc1ccsc1CNC(=O)COC(=O)c1sccc1-n1c(C)ccc1C ZINC000919569005 885941745 /nfs/dbraw/zinc/94/17/45/885941745.db2.gz WNCDMNBSJQBSBH-UHFFFAOYSA-N 0 0 388.514 3.999 20 10 GHCDRN COc1ccc(CN[C@@H](C(=O)OC(C)(C)C)c2cccc(C)c2)c(O)c1OC ZINC001184087591 912992065 /nfs/dbraw/zinc/99/20/65/912992065.db2.gz DJSMYDSAXFMCST-GOSISDBHSA-N 0 0 387.476 3.890 20 10 GHCDRN CC[C@H](C)c1cccc(NC(=O)C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000861905538 885976969 /nfs/dbraw/zinc/97/69/69/885976969.db2.gz VIQVGURAHZCZTR-LPHOPBHVSA-N 0 0 395.503 3.542 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCc2cnc(C)cc2C)cc1 ZINC000861932920 886003658 /nfs/dbraw/zinc/00/36/58/886003658.db2.gz AMIWCKHNYUHIQW-UHFFFAOYSA-N 0 0 375.472 3.777 20 10 GHCDRN Cc1sc(NC(=O)c2cn(C)nn2)c(C(=O)OC(C)C)c1-c1ccccc1 ZINC000808105411 886018522 /nfs/dbraw/zinc/01/85/22/886018522.db2.gz FFOUYEUZWQZEOM-UHFFFAOYSA-N 0 0 384.461 3.670 20 10 GHCDRN CC(C)[C@H](CC(F)(F)F)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000762322240 886033171 /nfs/dbraw/zinc/03/31/71/886033171.db2.gz VZQBYYYWJQSIIA-LBPRGKRZSA-N 0 0 378.778 3.787 20 10 GHCDRN Cc1cc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c(C)n1[C@@H]1CCOC1 ZINC000862002275 886045153 /nfs/dbraw/zinc/04/51/53/886045153.db2.gz PMWOOPUZLIIDDR-IIBYNOLFSA-N 0 0 383.536 3.802 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc(-c2csnn2)cc1 ZINC000862002970 886045478 /nfs/dbraw/zinc/04/54/78/886045478.db2.gz XLLRECXIJUBYQN-HNNXBMFYSA-N 0 0 380.517 3.941 20 10 GHCDRN COC(OC)[C@@H](C)NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000808151761 886059542 /nfs/dbraw/zinc/05/95/42/886059542.db2.gz OYRCNUJETSJAGD-GFCCVEGCSA-N 0 0 395.297 3.594 20 10 GHCDRN O=C(NCc1ccc2cccnc2c1O)C1(Cc2ccc(F)cc2)CCOCC1 ZINC000862025836 886061791 /nfs/dbraw/zinc/06/17/91/886061791.db2.gz BHTTVJNXBYDNNU-UHFFFAOYSA-N 0 0 394.446 3.735 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(COC(C)(C)C)c2C)c1 ZINC000862025353 886061974 /nfs/dbraw/zinc/06/19/74/886061974.db2.gz KLXCYSMETKLLPH-UHFFFAOYSA-N 0 0 384.476 3.579 20 10 GHCDRN CC(=O)CCc1ccc(O[C@H](C)C(=O)NCc2ccc3cccnc3c2O)cc1 ZINC000862027647 886064094 /nfs/dbraw/zinc/06/40/94/886064094.db2.gz AADBELCEKLLDHC-MRXNPFEDSA-N 0 0 392.455 3.546 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)c2nc(C(F)(F)F)no2)cc1 ZINC000862028667 886065146 /nfs/dbraw/zinc/06/51/46/886065146.db2.gz HCYVJKPXWVSANW-GFCCVEGCSA-N 0 0 378.354 3.987 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CC[C@H]3c3ccc(F)cc3)C2)cc1 ZINC000862035120 886070525 /nfs/dbraw/zinc/07/05/25/886070525.db2.gz JERBXWGUPGOGAA-XGRCMKMKSA-N 0 0 382.479 3.971 20 10 GHCDRN CCOc1cccc(/C=C\C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000862035260 886070873 /nfs/dbraw/zinc/07/08/73/886070873.db2.gz OACRELRDCHNETJ-DIBVOSKASA-N 0 0 380.488 3.750 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000919671972 886096796 /nfs/dbraw/zinc/09/67/96/886096796.db2.gz FAOCDQOGJKAWOX-QFIPXVFZSA-N 0 0 390.531 3.687 20 10 GHCDRN CC(C)(C)OC(=O)[C@@H]1CN(Cc2cc3oc4ccccc4c3cc2O)CCO1 ZINC000747464932 886099544 /nfs/dbraw/zinc/09/95/44/886099544.db2.gz DAVLGSJRGTXWHV-FQEVSTJZSA-N 0 0 383.444 3.834 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC(c3ncco3)CC2)c1 ZINC000862106427 886113679 /nfs/dbraw/zinc/11/36/79/886113679.db2.gz IMHIDDDHMCWGRO-UHFFFAOYSA-N 0 0 377.444 3.914 20 10 GHCDRN Cc1cc(Br)c2c(c1)CCN(C(=O)c1c(F)ccc(O)c1O)C2 ZINC001184116712 913035869 /nfs/dbraw/zinc/03/58/69/913035869.db2.gz FGNYADYPZCDKHB-UHFFFAOYSA-N 0 0 380.213 3.506 20 10 GHCDRN Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1-n1cccc1 ZINC000919767483 886326049 /nfs/dbraw/zinc/32/60/49/886326049.db2.gz LNLHJGXKBXQLAJ-UHFFFAOYSA-N 0 0 375.472 3.552 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 ZINC000915334269 886348345 /nfs/dbraw/zinc/34/83/45/886348345.db2.gz HDMAQNKQLVXCEA-HNNXBMFYSA-N 0 0 396.491 3.916 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC(=O)c4ccccc43)ccc21 ZINC000499015974 886355628 /nfs/dbraw/zinc/35/56/28/886355628.db2.gz QQDMKHVJMUKWJD-FQEVSTJZSA-N 0 0 376.456 3.962 20 10 GHCDRN O=C(NCCc1csc2ccccc12)NCc1ccc(N2CCOCC2)cc1 ZINC000919790704 886372484 /nfs/dbraw/zinc/37/24/84/886372484.db2.gz ZJDUCFPXGHSIES-UHFFFAOYSA-N 0 0 395.528 3.780 20 10 GHCDRN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1nccn1-c1ccccc1 ZINC000808428882 886377431 /nfs/dbraw/zinc/37/74/31/886377431.db2.gz TYYZOKQVPRUVCH-QGZVFWFLSA-N 0 0 380.467 3.699 20 10 GHCDRN CO[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(Br)cn3)c2C)C1 ZINC000843787444 886381375 /nfs/dbraw/zinc/38/13/75/886381375.db2.gz UFFKQGXBJNOJLK-OAHLLOKOSA-N 0 0 392.297 3.503 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)cc1F ZINC000762571169 886416471 /nfs/dbraw/zinc/41/64/71/886416471.db2.gz FJWDAPZRHBOMGV-KBAYOESNSA-N 0 0 397.585 3.851 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)C(=O)NCc2ccccc2)cc1 ZINC000919821879 886474922 /nfs/dbraw/zinc/47/49/22/886474922.db2.gz DCMIGTJRIBHTKD-GOSISDBHSA-N 0 0 375.472 3.529 20 10 GHCDRN Cc1cc(C(=O)N[C@H](C)COc2ccc(F)cc2F)c(C)n1-c1ccccn1 ZINC000919832804 886502208 /nfs/dbraw/zinc/50/22/08/886502208.db2.gz JZKDFXLHFBQDIT-CYBMUJFWSA-N 0 0 385.414 3.965 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c1 ZINC000862755313 886583954 /nfs/dbraw/zinc/58/39/54/886583954.db2.gz QKGGCRFPVRWGTR-HXUWFJFHSA-N 0 0 393.405 3.985 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)NCc3nccc(C(F)F)n3)ccc21 ZINC000287045869 913058688 /nfs/dbraw/zinc/05/86/88/913058688.db2.gz JBXLULVAMFWQLL-UHFFFAOYSA-N 0 0 388.418 3.562 20 10 GHCDRN COc1ccc(C2(CNC(=O)Cc3ccc(N)cc3)CCCCC2)cc1OC ZINC000237490558 886669542 /nfs/dbraw/zinc/66/95/42/886669542.db2.gz DXFRKIHBKRFMDV-UHFFFAOYSA-N 0 0 382.504 3.847 20 10 GHCDRN COC(=O)/C=C\c1ccc(N2CCC(Oc3ccncc3C)CC2)c([N+](=O)[O-])c1 ZINC000774731388 913068345 /nfs/dbraw/zinc/06/83/45/913068345.db2.gz HQUBPTNNAUHQSZ-XQRVVYSFSA-N 0 0 397.431 3.532 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC1CN(C(=O)OC(C)(C)C)C1 ZINC000762705471 886737703 /nfs/dbraw/zinc/73/77/03/886737703.db2.gz NQZFJZHZMPQOHP-UHFFFAOYSA-N 0 0 389.521 3.752 20 10 GHCDRN COc1cc(Br)cc(CNc2ccccc2C[S@](C)=O)c1O ZINC000762790803 886826956 /nfs/dbraw/zinc/82/69/56/886826956.db2.gz IEZXQEKYLLRASX-QFIPXVFZSA-N 0 0 384.295 3.654 20 10 GHCDRN Cc1ccccc1OCCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000729622300 886853318 /nfs/dbraw/zinc/85/33/18/886853318.db2.gz WKAGJTYQGPQFLI-HXUWFJFHSA-N 0 0 398.503 3.860 20 10 GHCDRN C[C@H]1CC(=O)N(C)c2ccc(NC(=S)NCCCN(C)c3ccccc3)cc21 ZINC000863243229 886956902 /nfs/dbraw/zinc/95/69/02/886956902.db2.gz LGPCHYGCXBWJJW-INIZCTEOSA-N 0 0 396.560 3.970 20 10 GHCDRN CO[C@H](CS(=O)(=O)Nc1ccc(O)c(COC(C)C)c1)c1ccc(F)cc1 ZINC000863409252 887091939 /nfs/dbraw/zinc/09/19/39/887091939.db2.gz ACGQFCNREGYOCM-LJQANCHMSA-N 0 0 397.468 3.586 20 10 GHCDRN CC1(C)CCC(CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 ZINC000809201091 887197138 /nfs/dbraw/zinc/19/71/38/887197138.db2.gz 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O=C([O-])[C@H]([NH2+]Cc1c(O)cccc1Br)C(C1CCC1)C1CCC1 ZINC000864513805 887818591 /nfs/dbraw/zinc/81/85/91/887818591.db2.gz JPWBPICVDBZGNU-QGZVFWFLSA-N 0 0 382.298 3.914 20 10 GHCDRN O=C([O-])[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000864516088 887820465 /nfs/dbraw/zinc/82/04/65/887820465.db2.gz BOAULCDHGHMSML-SJORKVTESA-N 0 0 375.469 3.708 20 10 GHCDRN COc1ccc(CNC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c(O)c1 ZINC000794760310 888022672 /nfs/dbraw/zinc/02/26/72/888022672.db2.gz NIPMGFQPVLRZHP-UHFFFAOYSA-N 0 0 387.436 3.909 20 10 GHCDRN Cc1cc(CCNC(=O)Cc2nn(C)c3ccccc23)c(C)n1-c1ccccc1 ZINC001132015488 888079308 /nfs/dbraw/zinc/07/93/08/888079308.db2.gz UYXYXGZVXGSJNG-UHFFFAOYSA-N 0 0 386.499 3.882 20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)c3scnc3C(F)F)cc2F)C[C@H](C)O1 ZINC000864931414 888084373 /nfs/dbraw/zinc/08/43/73/888084373.db2.gz LIRJGHIFDGHXGC-QWRGUYRKSA-N 0 0 399.438 3.763 20 10 GHCDRN O=C(NCCOCc1ccccc1)N(Cc1ccco1)Cc1ccccc1O ZINC000747589921 888152090 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CC(C)COC(=O)Nc1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000268551320 909926346 /nfs/dbraw/zinc/92/63/46/909926346.db2.gz ILCFECCIMUUHEF-UHFFFAOYSA-N 0 0 387.436 3.667 20 10 GHCDRN Cc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1NC(=O)C(C)(C)C ZINC000268574968 909934432 /nfs/dbraw/zinc/93/44/32/909934432.db2.gz MDZLGEJLOYTHOX-UHFFFAOYSA-N 0 0 385.464 3.755 20 10 GHCDRN CN(C)c1ccc(/C=C/C(=O)Nc2cc(Cl)nn(-c3ccccc3)c2=O)cc1 ZINC001180129879 909941691 /nfs/dbraw/zinc/94/16/91/909941691.db2.gz LMYXBQSCQOLWGW-JLHYYAGUSA-N 0 0 394.862 3.604 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC000801834908 921536312 /nfs/dbraw/zinc/53/63/12/921536312.db2.gz ALFHDDCWHUILHD-SFHVURJKSA-N 0 0 396.384 3.869 20 10 GHCDRN COC(=O)C[C@H](C)N(Cc1ccccc1)C(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180126497 909972855 /nfs/dbraw/zinc/97/28/55/909972855.db2.gz VHABEDSXXFZNGO-XOVFHRFOSA-N 0 0 380.488 3.746 20 10 GHCDRN Cc1c([C@@H](C)NCc2ccc(N3CCOCC3)cc2)nnn1-c1ccc(C)cc1 ZINC000268846215 910043196 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Cc1c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nnn1-c1ccccc1Cl ZINC000773987385 911236480 /nfs/dbraw/zinc/23/64/80/911236480.db2.gz CCTPSWYZWSGZNK-ZDUSSCGKSA-N 0 0 383.883 3.786 20 10 GHCDRN C[C@@H](NC(=O)[C@@H](C)Cn1ccc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000795593205 911384311 /nfs/dbraw/zinc/38/43/11/911384311.db2.gz XGUGCKDDSHOGKD-RBUKOAKNSA-N 0 0 391.515 3.991 20 10 GHCDRN Cc1cc(C)c(CNC(=O)[C@@H]2CCc3cc(Br)ccc3O2)c(O)c1 ZINC001182263459 911396636 /nfs/dbraw/zinc/39/66/36/911396636.db2.gz YDRXPIXZTXHKDU-SFHVURJKSA-N 0 0 390.277 3.782 20 10 GHCDRN C[C@@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774114900 911401232 /nfs/dbraw/zinc/40/12/32/911401232.db2.gz IARHBGVJRLPDJO-SNVBAGLBSA-N 0 0 389.304 3.921 20 10 GHCDRN COCOc1cccc(Nc2c(CC(N)=O)cccc2C(=O)c2ccccc2)c1 ZINC001212900907 911452626 /nfs/dbraw/zinc/45/26/26/911452626.db2.gz DDGJDBSIHAIWLM-UHFFFAOYSA-N 0 0 390.439 3.672 20 10 GHCDRN COC(=O)c1ccc(CNC(=O)c2cc(C)n(-c3ccccc3C)c2C)nc1 ZINC000774245600 911544771 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COc1c(Br)c([N+](=O)[O-])c(NCc2ccccc2O)cc1[N+](=O)[O-] ZINC000774524478 911919210 /nfs/dbraw/zinc/91/92/10/911919210.db2.gz UVWQAKOUUMUMIA-UHFFFAOYSA-N 0 0 398.169 3.592 20 10 GHCDRN [O-]c1c(F)cc(Cl)cc1CN1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001182712925 911996253 /nfs/dbraw/zinc/99/62/53/911996253.db2.gz DEDWGGMDMVEEOH-PMACEKPBSA-N 0 0 390.886 3.660 20 10 GHCDRN CCOC(=O)[C@]1(F)CN(Cc2cc(OC)cc(C(C)(C)C)c2O)CC12CCC2 ZINC001182856166 912079756 /nfs/dbraw/zinc/07/97/56/912079756.db2.gz UIJRVXLNDFLTAB-JOCHJYFZSA-N 0 0 393.499 3.956 20 10 GHCDRN COc1cc(CN2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c(O)cc1C ZINC000795663455 912133149 /nfs/dbraw/zinc/13/31/49/912133149.db2.gz CRMDKIKYMFTSRF-KRWDZBQOSA-N 0 0 387.480 3.713 20 10 GHCDRN O=C(NCC1CCOCC1)Nc1cccc2c1C(=O)c1cccc(Cl)c1C2=O ZINC001186942170 914889905 /nfs/dbraw/zinc/88/99/05/914889905.db2.gz BFMWQTRZYWOQAG-UHFFFAOYSA-N 0 0 398.846 3.664 20 10 GHCDRN COc1ccc(N(C)CCN(C)c2cc(-c3ccccc3)nc3ccnn32)cc1 ZINC001186921354 914903647 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COc1ccc(CNC(=O)Nc2cccc3c2CN(c2ccccn2)C3)c(O)c1 ZINC000373926659 926563204 /nfs/dbraw/zinc/56/32/04/926563204.db2.gz WBMUAMGFUSGYAM-UHFFFAOYSA-N 0 0 390.443 3.638 20 10 GHCDRN CC(=O)NC1CCC(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 ZINC000726167139 926577184 /nfs/dbraw/zinc/57/71/84/926577184.db2.gz ZYPUMYMVSKMAJG-UHFFFAOYSA-N 0 0 387.911 3.925 20 10 GHCDRN C[C@@H](NC(=O)NCc1ccc(F)c(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000726277486 926617067 /nfs/dbraw/zinc/61/70/67/926617067.db2.gz BZTIHFSXJOAGCD-CQSZACIVSA-N 0 0 391.874 3.876 20 10 GHCDRN COc1ccc(OC)c(NC(=S)NCCCN(C)c2ccccc2F)c1 ZINC000726473127 926690861 /nfs/dbraw/zinc/69/08/61/926690861.db2.gz WYWWESIBDLVWRR-UHFFFAOYSA-N 0 0 377.485 3.656 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)Cc3c(C)[nH]c4ccccc43)CC2)cc1 ZINC000726561299 926738329 /nfs/dbraw/zinc/73/83/29/926738329.db2.gz LIYLUONJHQLKIE-UHFFFAOYSA-N 0 0 377.488 3.813 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3sccc3Br)CC2)cc1 ZINC000726561855 926739739 /nfs/dbraw/zinc/73/97/39/926739739.db2.gz 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CC(C)n1ncc2cc(NC(=O)NCCCSc3nccs3)cnc21 ZINC000758544768 930078062 /nfs/dbraw/zinc/07/80/62/930078062.db2.gz DWEGVFXWWMDOLK-UHFFFAOYSA-N 0 0 376.511 3.773 20 10 GHCDRN C[C@@H](NC(=O)[C@H](C)OC(=O)c1cccc(O)c1O)c1ccc2ccccc2c1 ZINC000758562582 930084265 /nfs/dbraw/zinc/08/42/65/930084265.db2.gz SNGGRNKVPIEDHK-KGLIPLIRSA-N 0 0 379.412 3.674 20 10 GHCDRN Cc1nc(-c2ccccc2NC(=O)NCCCSc2nccs2)no1 ZINC000758567092 930085538 /nfs/dbraw/zinc/08/55/38/930085538.db2.gz ARKHQOXPZKTNTI-UHFFFAOYSA-N 0 0 375.479 3.805 20 10 GHCDRN O=C(N[C@@H]1CC12CCCC2)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000758624484 930107058 /nfs/dbraw/zinc/10/70/58/930107058.db2.gz PDZOACWMRGPKIT-QGZVFWFLSA-N 0 0 379.451 3.889 20 10 GHCDRN Cc1cc(C(=O)OCCCS(=O)(=O)C(C)C)c(C)n1-c1ccc(F)cc1 ZINC000758908673 930208887 /nfs/dbraw/zinc/20/88/87/930208887.db2.gz FRHIMDMJHPXAMN-UHFFFAOYSA-N 0 0 381.469 3.603 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCCC12CCCCC2 ZINC000759287577 930331615 /nfs/dbraw/zinc/33/16/15/930331615.db2.gz SBSLRMUBJNDTRO-UHFFFAOYSA-N 0 0 375.488 3.671 20 10 GHCDRN C[C@@H](NC(=O)N(C)CC1(c2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000780339870 930344652 /nfs/dbraw/zinc/34/46/52/930344652.db2.gz SWUHPGONAZYFPD-LJQANCHMSA-N 0 0 393.531 3.957 20 10 GHCDRN C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000759593408 930416975 /nfs/dbraw/zinc/41/69/75/930416975.db2.gz OADUBPDOQRLITQ-HSGAWUPJSA-N 0 0 389.835 3.574 20 10 GHCDRN CC(=O)N[C@@H]1Cc2ccccc2N(Cc2cc(Br)cc(C)c2O)C1 ZINC000780778668 930596341 /nfs/dbraw/zinc/59/63/41/930596341.db2.gz NKZWQQQAFKNCOE-QGZVFWFLSA-N 0 0 389.293 3.531 20 10 GHCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000780794708 930599826 /nfs/dbraw/zinc/59/98/26/930599826.db2.gz UMVYMMLNXYSQLX-VIFPVBQESA-N 0 0 393.358 3.598 20 10 GHCDRN C[C@H](NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1)[C@H]1CCCOC1 ZINC000780860776 930620241 /nfs/dbraw/zinc/62/02/41/930620241.db2.gz PVTVKOHYFPFUSZ-HKUYNNGSSA-N 0 0 385.508 3.873 20 10 GHCDRN C[C@H](O)[C@@H]1CCC[N@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000780892270 930629778 /nfs/dbraw/zinc/62/97/78/930629778.db2.gz IVSDXELWYAQVDS-VHSXEESVSA-N 0 0 393.119 3.510 20 10 GHCDRN Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)c(O)c1O ZINC000780919163 930639152 /nfs/dbraw/zinc/63/91/52/930639152.db2.gz BAMDJOKWXIBHSK-UHFFFAOYSA-N 0 0 388.423 3.861 20 10 GHCDRN COc1cccc(Oc2ncccc2CNC(=O)c2ccc(C)c(O)c2O)c1 ZINC000780953328 930649323 /nfs/dbraw/zinc/64/93/23/930649323.db2.gz FRVVZJSFZMCHPD-UHFFFAOYSA-N 0 0 380.400 3.532 20 10 GHCDRN Cc1nc2cc(NC(=O)NCc3ccc(N4CCOCC4)cc3)ccc2s1 ZINC000781497295 930870033 /nfs/dbraw/zinc/87/00/33/930870033.db2.gz LRDFMCUUFXEQMD-UHFFFAOYSA-N 0 0 382.489 3.763 20 10 GHCDRN Cc1cc(Br)c(O)c(CN(C)Cc2nc(-c3cccnc3)no2)c1 ZINC000781907162 931023034 /nfs/dbraw/zinc/02/30/34/931023034.db2.gz DOBVZERVAJBEJP-UHFFFAOYSA-N 0 0 389.253 3.540 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2cnn(C)c2C(F)(F)F)cc1 ZINC000782103897 931090610 /nfs/dbraw/zinc/09/06/10/931090610.db2.gz 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ZINC000784247490 931833411 /nfs/dbraw/zinc/83/34/11/931833411.db2.gz QGHCRBAKGKELJD-QGZVFWFLSA-N 0 0 379.570 3.807 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(C(=O)NCC3CC3)ccc2C)c1 ZINC000784476974 931908533 /nfs/dbraw/zinc/90/85/33/931908533.db2.gz TWYJHIZREPIPGE-AWEZNQCLSA-N 0 0 397.475 3.732 20 10 GHCDRN O=C(c1cccc(O)c1O)N1CCC(c2ccccc2Br)CC1 ZINC000784766027 932000222 /nfs/dbraw/zinc/00/02/22/932000222.db2.gz VWAODFPYZQVIBZ-UHFFFAOYSA-N 0 0 376.250 3.880 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2nnn(C(C)C)c2C)c(C)n1-c1cccc(F)c1 ZINC000796668180 932023561 /nfs/dbraw/zinc/02/35/61/932023561.db2.gz NKMIIGRZSDUECD-UHFFFAOYSA-N 0 0 398.438 3.754 20 10 GHCDRN Cc1cc(C(=O)CN2CCC[C@@H]2c2nc(C)no2)c(C)n1-c1ccc(F)cc1 ZINC000796697482 932033129 /nfs/dbraw/zinc/03/31/29/932033129.db2.gz XDQXNRNOSNFLGP-LJQANCHMSA-N 0 0 382.439 3.944 20 10 GHCDRN COc1ccc(N2CCC(Nc3cc(N4CCOCC4)ccc3C)CC2)cc1 ZINC000797588111 932335652 /nfs/dbraw/zinc/33/56/52/932335652.db2.gz RFDSAWZYYKSXCL-UHFFFAOYSA-N 0 0 381.520 3.921 20 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/nfs/dbraw/zinc/56/33/33/932563333.db2.gz WXNNJFXEXUKKCR-RXVVDRJESA-N 0 0 384.476 3.902 20 10 GHCDRN Cc1cc(C(=O)N2CCn3c(nnc3C(F)F)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000798251890 932577217 /nfs/dbraw/zinc/57/72/17/932577217.db2.gz GGTIFFYBMKDRER-UHFFFAOYSA-N 0 0 399.445 3.896 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H]1CCc2ncc(NCc3cc(F)ccc3O)cc2C1 ZINC000798277116 932590309 /nfs/dbraw/zinc/59/03/09/932590309.db2.gz WJWBQGOCXVYRBA-INIZCTEOSA-N 0 0 387.455 3.920 20 10 GHCDRN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)NCCCSc2nccs2)C1 ZINC000798437590 932647710 /nfs/dbraw/zinc/64/77/10/932647710.db2.gz KTTWWCXMEFJNOF-QXSJWSMHSA-N 0 0 383.583 3.596 20 10 GHCDRN O=C(NCC[C@@H]1CCC2(CCC2)O1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000927727630 932672682 /nfs/dbraw/zinc/67/26/82/932672682.db2.gz JVYBFVFNASUWAG-OALUTQOASA-N 0 0 388.508 3.575 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NCC[C@H]2CC(=O)N(C)C2)cc1 ZINC000927750237 932680481 /nfs/dbraw/zinc/68/04/81/932680481.db2.gz OONWWTYKCBJSCD-INIZCTEOSA-N 0 0 393.491 3.766 20 10 GHCDRN CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000798953569 932835820 /nfs/dbraw/zinc/83/58/20/932835820.db2.gz HIQXMBKOTJNZNT-SFHVURJKSA-N 0 0 399.329 3.891 20 10 GHCDRN O=C1/C(=C/c2ccc3c(c2)OCCO3)SC(=S)N1CCc1ccccc1 ZINC000799203231 932914148 /nfs/dbraw/zinc/91/41/48/932914148.db2.gz JUNUWVIHMJWRGC-AQTBWJFISA-N 0 0 383.494 3.902 20 10 GHCDRN CNC(=O)CSCC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000799308627 932946425 /nfs/dbraw/zinc/94/64/25/932946425.db2.gz ACEIDZWWJXDOHN-UHFFFAOYSA-N 0 0 395.322 3.519 20 10 GHCDRN CC(=O)NCc1ccc(N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1 ZINC000777687375 932948334 /nfs/dbraw/zinc/94/83/34/932948334.db2.gz ZUWQISDTNTUSOD-HNNXBMFYSA-N 0 0 387.911 3.986 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2nc3cc(Cl)ccc3n2C)c1 ZINC000777689934 932964048 /nfs/dbraw/zinc/96/40/48/932964048.db2.gz CWERKWYAIPGBCP-LLVKDONJSA-N 0 0 388.855 3.501 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2cc3cnn(CC)c3nc2C)cc1F ZINC000799415919 932995467 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CC(=O)N1CCN(c2ccc(O[C@H]3CCCc4c(Cl)ccnc43)cc2)CC1 ZINC001228199591 1032836422 /nfs/dbraw/zinc/83/64/22/1032836422.db2.gz LVDLGIJGXMKPAL-FQEVSTJZSA-N 0 0 385.895 3.860 20 10 GHCDRN COc1ccc(Br)c(CC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000156471785 1019670525 /nfs/dbraw/zinc/67/05/25/1019670525.db2.gz JRSGLIWCHGADNL-UHFFFAOYSA-N 0 0 391.309 3.725 20 10 GHCDRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NCc1ccc(O)c(O)c1 ZINC000778919313 1019972128 /nfs/dbraw/zinc/97/21/28/1019972128.db2.gz YNWGGXNXZKPDKB-UHFFFAOYSA-N 0 0 385.851 3.543 20 10 GHCDRN CCCn1nccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 ZINC000189446698 1020447292 /nfs/dbraw/zinc/44/72/92/1020447292.db2.gz VBXOJHMYYPSDOL-MRXNPFEDSA-N 0 0 391.475 3.608 20 10 GHCDRN CC(=O)N1CCN(c2ccc(CNc3ccnc4c(F)cccc34)cc2)CC1 ZINC000191600005 1020792299 /nfs/dbraw/zinc/79/22/99/1020792299.db2.gz ZJECZQRYZQANKM-UHFFFAOYSA-N 0 0 378.451 3.655 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Br)c(=O)[nH]c1C ZINC000795753116 1021104906 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Oc1cccc(Cl)c1CN1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001140339226 1021447187 /nfs/dbraw/zinc/44/71/87/1021447187.db2.gz GCBPXHLLSGNWLZ-VVFCZOMOSA-N 0 0 394.924 3.698 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)NC1CCC(C(=O)OCC)CC1 ZINC000802041106 1021470361 /nfs/dbraw/zinc/47/03/61/1021470361.db2.gz WIADCJLJVGSEHQ-UHFFFAOYSA-N 0 0 376.497 3.826 20 10 GHCDRN O=S1(=O)CCCN(Cc2cc3oc4ccccc4c3cc2O)[C@H](C2CC2)C1 ZINC000902624674 1021526538 /nfs/dbraw/zinc/52/65/38/1021526538.db2.gz OUXLSJJZEORNIQ-SFHVURJKSA-N 0 0 385.485 3.691 20 10 GHCDRN CCCC[C@H](CCC)NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000748960651 1021737418 /nfs/dbraw/zinc/73/74/18/1021737418.db2.gz PXRRZNZWIFGDPW-MOPGFXCFSA-N 0 0 388.556 3.546 20 10 GHCDRN CCOC[C@H]1CN(Cc2ccc(Cl)cc2O)Cc2nn(CC3CC3)cc21 ZINC001140463257 1021754720 /nfs/dbraw/zinc/75/47/20/1021754720.db2.gz YDILLXXQMGYGAL-MRXNPFEDSA-N 0 0 375.900 3.788 20 10 GHCDRN COc1cc([N+](=O)[O-])c(N2CCC(C)(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000826704566 1021764145 /nfs/dbraw/zinc/76/41/45/1021764145.db2.gz LNXWYUPXLUYWEL-UHFFFAOYSA-N 0 0 380.441 3.560 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)CCCC1CCOCC1 ZINC000826927549 1021831301 /nfs/dbraw/zinc/83/13/01/1021831301.db2.gz HVFDMYXRMWHAJD-UHFFFAOYSA-N 0 0 394.581 3.645 20 10 GHCDRN CCOc1cccc(CN[C@H](C(=O)OC)c2ccccc2Br)c1O ZINC000827158023 1021921231 /nfs/dbraw/zinc/92/12/31/1021921231.db2.gz MBWZKNCWCCWWRM-INIZCTEOSA-N 0 0 394.265 3.557 20 10 GHCDRN O=C(NCc1ccc(Cl)cc1)C1CC[NH+](Cc2c([O-])cc(F)cc2F)CC1 ZINC001140584836 1022009034 /nfs/dbraw/zinc/00/90/34/1022009034.db2.gz GIFBPUAPWIUFLY-UHFFFAOYSA-N 0 0 394.849 3.852 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2ccc(C(=O)NC(C)C)cc2)C1 ZINC001140618811 1022085031 /nfs/dbraw/zinc/08/50/31/1022085031.db2.gz BMYSAQZJSJVDOU-UHFFFAOYSA-N 0 0 391.515 3.883 20 10 GHCDRN Cc1ccc(O)c(C[N@H+]2Cc3c(cnn3CC3CC3)[C@@H](COCC3CC3)C2)c1 ZINC001140620403 1022090811 /nfs/dbraw/zinc/09/08/11/1022090811.db2.gz NAWYMJWLQHIPSA-HXUWFJFHSA-N 0 0 381.520 3.833 20 10 GHCDRN O=S1(=O)CCN(Cc2c3c(ccc2O)oc2c3CCCC2)[C@@H]2CCCC[C@H]21 ZINC000754012886 1022424202 /nfs/dbraw/zinc/42/42/02/1022424202.db2.gz LZFRSTNQIDZYRI-OXQOHEQNSA-N 0 0 389.517 3.559 20 10 GHCDRN Cc1csc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 ZINC000836241422 1022759677 /nfs/dbraw/zinc/75/96/77/1022759677.db2.gz NDHQGRIJMFBLNU-HUUCEWRRSA-N 0 0 391.512 3.809 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000836248672 1022769200 /nfs/dbraw/zinc/76/92/00/1022769200.db2.gz JBEPQJPNNJHYQP-FQEVSTJZSA-N 0 0 381.476 3.553 20 10 GHCDRN Cc1ccccc1CCN(C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000836257306 1022783213 /nfs/dbraw/zinc/78/32/13/1022783213.db2.gz XQHVOSIGOCEGBO-IBGZPJMESA-N 0 0 381.520 3.777 20 10 GHCDRN Cc1cc(C(=O)Cn2nc(C(F)(F)F)ccc2=O)c(C)n1-c1ccccc1 ZINC000754719696 1022856588 /nfs/dbraw/zinc/85/65/88/1022856588.db2.gz HBQIUQCDTJLHFF-UHFFFAOYSA-N 0 0 375.350 3.553 20 10 GHCDRN C[C@H](S[C@@H]1CCO[C@@H]1C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000754728192 1022861542 /nfs/dbraw/zinc/86/15/42/1022861542.db2.gz XAYKNRHCRYDHRG-QHRIQVFBSA-N 0 0 395.480 3.700 20 10 GHCDRN COC(=O)CCCN1C(=O)/C(=C/c2ccc3nc(C)sc3c2)SC1=S ZINC000754831970 1022920772 /nfs/dbraw/zinc/92/07/72/1022920772.db2.gz HWTPMMPUTRDQKN-ZROIWOOFSA-N 0 0 392.527 3.759 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N3CC[C@@H](C4CCOCC4)C3)cc2)CC1 ZINC000754854725 1022935768 /nfs/dbraw/zinc/93/57/68/1022935768.db2.gz ITPNUDVEAADNOV-OAQYLSRUSA-N 0 0 385.552 3.881 20 10 GHCDRN Cc1ccc(CN2[C@@H](C(F)(F)F)[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c(O)c1 ZINC001140947783 1022964284 /nfs/dbraw/zinc/96/42/84/1022964284.db2.gz FRVQAOZNFPKZQB-OFQRWUPVSA-N 0 0 386.414 3.825 20 10 GHCDRN O=C(NCCc1cc(C(F)(F)F)ccn1)NCc1c(O)ccc2c1CCCC2 ZINC000836482770 1023015205 /nfs/dbraw/zinc/01/52/05/1023015205.db2.gz USEWJKBGMVMIOS-UHFFFAOYSA-N 0 0 393.409 3.727 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NC[C@@H]3CSc4ccccc43)CC2)cc1 ZINC000836505692 1023044759 /nfs/dbraw/zinc/04/47/59/1023044759.db2.gz RBQFAAWAWBHQGZ-MRXNPFEDSA-N 0 0 397.544 3.853 20 10 GHCDRN C[C@H](NC(=O)N1CC[C@](C)(c2ccccc2)C1)c1ccc(N2CCOCC2)cc1 ZINC000755129224 1023086688 /nfs/dbraw/zinc/08/66/88/1023086688.db2.gz DRAXDHIMXJMPGA-CYFREDJKSA-N 0 0 393.531 3.957 20 10 GHCDRN CSCc1cc(F)ccc1CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000755231954 1023144634 /nfs/dbraw/zinc/14/46/34/1023144634.db2.gz HELZXYNGFWESBY-UHFFFAOYSA-N 0 0 379.476 3.893 20 10 GHCDRN CC(C)C[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N1CCCCC1=O ZINC000755248784 1023153939 /nfs/dbraw/zinc/15/39/39/1023153939.db2.gz OWELZAJUIFBIGB-OAQYLSRUSA-N 0 0 385.552 3.720 20 10 GHCDRN CC1(C)CCC[C@H](CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000836660546 1023220370 /nfs/dbraw/zinc/22/03/70/1023220370.db2.gz FBCDCOKUPDPGPA-KRWDZBQOSA-N 0 0 391.531 3.802 20 10 GHCDRN CC(C)(CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1=CCCC1 ZINC000836673533 1023237817 /nfs/dbraw/zinc/23/78/17/1023237817.db2.gz VXHQZWCHCHXLRD-UHFFFAOYSA-N 0 0 389.515 3.723 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(N(C(C)=O)C3CC3)cc2)c1 ZINC000836701620 1023273045 /nfs/dbraw/zinc/27/30/45/1023273045.db2.gz GIOCCMUYJNNGGZ-ZDUSSCGKSA-N 0 0 383.448 3.799 20 10 GHCDRN CCOc1ncc(C)cc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000836707449 1023281387 /nfs/dbraw/zinc/28/13/87/1023281387.db2.gz DXZNWTFIBIUNOX-KRWDZBQOSA-N 0 0 385.464 3.707 20 10 GHCDRN CCCn1ncc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1C1CC1 ZINC000836713352 1023290389 /nfs/dbraw/zinc/29/03/89/1023290389.db2.gz BPWIOVBBWLTRSL-UHFFFAOYSA-N 0 0 383.496 3.533 20 10 GHCDRN CCCn1ncc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1C1CC1 ZINC000836715758 1023294468 /nfs/dbraw/zinc/29/44/68/1023294468.db2.gz MMUVRCPYQYTFMD-UHFFFAOYSA-N 0 0 397.523 3.671 20 10 GHCDRN C[C@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCS1 ZINC000755744607 1023360917 /nfs/dbraw/zinc/36/09/17/1023360917.db2.gz JYZLLEVWJPZHPO-GJZGRUSLSA-N 0 0 399.507 3.794 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(-c3n[nH]c(C)n3)ccc2C)c1 ZINC000755828252 1023394344 /nfs/dbraw/zinc/39/43/44/1023394344.db2.gz IFGCWPIDVZAUKM-GFCCVEGCSA-N 0 0 381.436 3.685 20 10 GHCDRN COC(=O)CN(Cc1ccnn1-c1ccccc1C)Cc1cc(Cl)ccc1O ZINC001204867123 1033131817 /nfs/dbraw/zinc/13/18/17/1033131817.db2.gz SQYTZUSVSCFITH-UHFFFAOYSA-N 0 0 399.878 3.715 20 10 GHCDRN CCOC[C@@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)Cc2nn(CC)cc21 ZINC001141075033 1023435268 /nfs/dbraw/zinc/43/52/68/1023435268.db2.gz IXWHTNDXDLQGCI-NRFANRHFSA-N 0 0 394.563 3.738 20 10 GHCDRN O=C1Nc2ccccc2CN1C1CN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141079066 1023445432 /nfs/dbraw/zinc/44/54/32/1023445432.db2.gz ROULBBISIHJLIQ-UHFFFAOYSA-N 0 0 388.515 3.617 20 10 GHCDRN CC(C)CSCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000756058125 1023501996 /nfs/dbraw/zinc/50/19/96/1023501996.db2.gz QTLMBMZMLOMQTK-IYBDPMFKSA-N 0 0 397.560 3.628 20 10 GHCDRN CCN(CC)C(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756342938 1023597643 /nfs/dbraw/zinc/59/76/43/1023597643.db2.gz LVWOGPUVASBDSZ-IFXJQAMLSA-N 0 0 376.447 3.801 20 10 GHCDRN C[C@@H]([NH2+]CC(C)(C)N(C)C)c1cc(Br)cc(Br)c1[O-] ZINC000756344088 1023597799 /nfs/dbraw/zinc/59/77/99/1023597799.db2.gz QHGPBMPVASUSJJ-SECBINFHSA-N 0 0 394.151 3.908 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCNc2ccc(C(F)(F)F)cn2)c1 ZINC000756402550 1023629532 /nfs/dbraw/zinc/62/95/32/1023629532.db2.gz UXCMYSNVGLTHHR-GFCCVEGCSA-N 0 0 397.397 3.745 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(N3CCCCCC3)nc2)c1 ZINC000756415530 1023636815 /nfs/dbraw/zinc/63/68/15/1023636815.db2.gz CASMYSCZGDOSAE-MRXNPFEDSA-N 0 0 383.492 3.805 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)c1 ZINC000756476677 1023675137 /nfs/dbraw/zinc/67/51/37/1023675137.db2.gz UGNIQDJOMUARSK-KGLIPLIRSA-N 0 0 390.430 3.634 20 10 GHCDRN O=C(NCc1ccccc1O)Nc1cnn(-c2ccccc2Br)c1 ZINC000756503093 1023686644 /nfs/dbraw/zinc/68/66/44/1023686644.db2.gz XJMCXAHMTGJLIO-UHFFFAOYSA-N 0 0 387.237 3.662 20 10 GHCDRN C[C@H]([NH2+]CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756556580 1023712323 /nfs/dbraw/zinc/71/23/23/1023712323.db2.gz XBHPXNLGLLGMIA-LSDHHAIUSA-N 0 0 393.484 3.988 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC000756592750 1023726747 /nfs/dbraw/zinc/72/67/47/1023726747.db2.gz VBIXYCFXBKLJSF-QGHHPUGFSA-N 0 0 384.259 3.870 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1 ZINC000756642613 1023751402 /nfs/dbraw/zinc/75/14/02/1023751402.db2.gz OOVQZXBBCZWYAT-FUHIMQAGSA-N 0 0 382.504 3.883 20 10 GHCDRN C[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756648894 1023753647 /nfs/dbraw/zinc/75/36/47/1023753647.db2.gz ALQNOEIXBTWGHZ-CMPLNLGQSA-N 0 0 378.694 3.654 20 10 GHCDRN C[C@H]([NH2+]CCc1cccc(C(N)=O)c1)c1cc(Br)cc(Cl)c1[O-] ZINC000756682431 1023772294 /nfs/dbraw/zinc/77/22/94/1023772294.db2.gz DHTLXDALCIRTKI-JTQLQIEISA-N 0 0 397.700 3.800 20 10 GHCDRN C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1cc(Br)cc(Cl)c1[O-] ZINC000756707722 1023783148 /nfs/dbraw/zinc/78/31/48/1023783148.db2.gz NOOYJQCLNGGPCM-VIFPVBQESA-N 0 0 398.750 3.672 20 10 GHCDRN C[C@H]([NH2+][C@H](CCO)C1CC1)c1cc(Br)cc(Br)c1[O-] ZINC000756740685 1023795460 /nfs/dbraw/zinc/79/54/60/1023795460.db2.gz SPEQSALJVAXIFR-ISVAXAHUSA-N 0 0 393.119 3.729 20 10 GHCDRN C[C@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1cc(Br)cc(F)c1[O-] ZINC000756743764 1023796048 /nfs/dbraw/zinc/79/60/48/1023796048.db2.gz VSXRXYBKZPYEQG-NSHDSACASA-N 0 0 391.244 3.725 20 10 GHCDRN C[C@@H](CO)CCC[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000756786185 1023814958 /nfs/dbraw/zinc/81/49/58/1023814958.db2.gz YMBRDSXETXBZKE-NXEZZACHSA-N 0 0 395.135 3.976 20 10 GHCDRN C[C@H]([NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000756835667 1023829929 /nfs/dbraw/zinc/82/99/29/1023829929.db2.gz QKWUMHNYPIFNKT-QXKQMHMISA-N 0 0 375.337 3.856 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)C(F)(F)c1c(F)cccc1F ZINC000756938381 1023876871 /nfs/dbraw/zinc/87/68/71/1023876871.db2.gz JIQVPYOAQLPIBI-UHFFFAOYSA-N 0 0 398.425 3.926 20 10 GHCDRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]1CC(=O)NCc1ccccc1O ZINC000830527095 1023967885 /nfs/dbraw/zinc/96/78/85/1023967885.db2.gz UQYCHSTWFBXQQG-SFHVURJKSA-N 0 0 382.460 3.891 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@H]([C@@H](O)C(F)(F)F)C2)c(C)n1-c1ccc(F)cc1 ZINC000837036664 1023971022 /nfs/dbraw/zinc/97/10/22/1023971022.db2.gz IKVUGTDQUUCZPA-SUMWQHHRSA-N 0 0 384.373 3.619 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@H]([C@@H](O)C(F)(F)F)C2)c(C)n1-c1ccccc1C ZINC000837039880 1023972528 /nfs/dbraw/zinc/97/25/28/1023972528.db2.gz WJUGKUJOHNYBCC-MAUKXSAKSA-N 0 0 380.410 3.788 20 10 GHCDRN COc1cccc(CNC(=O)c2cccc3c2CN(C(=O)OC(C)(C)C)C3)c1O ZINC000830541491 1023977014 /nfs/dbraw/zinc/97/70/14/1023977014.db2.gz YWYRWZQBWFZOBU-UHFFFAOYSA-N 0 0 398.459 3.582 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(Cc2cc(O)ccc2O)C[C@@H]1Cc1ccccc1 ZINC001141155909 1023981889 /nfs/dbraw/zinc/98/18/89/1023981889.db2.gz ANSRAHUVCNEOSB-IBGZPJMESA-N 0 0 398.503 3.762 20 10 GHCDRN Cc1nc(CN2CCN(Cc3cc(O)ccc3O)Cc3ccc(C)nc32)cs1 ZINC001141158110 1023982644 /nfs/dbraw/zinc/98/26/44/1023982644.db2.gz UIYFASDSEOTGLG-UHFFFAOYSA-N 0 0 396.516 3.589 20 10 GHCDRN [O-]c1c(F)cccc1C[NH+]1CCC2(CCOC[C@H]2COc2ccccn2)CC1 ZINC001138126733 1024171850 /nfs/dbraw/zinc/17/18/50/1024171850.db2.gz JAEXGHQSEWWAJR-SFHVURJKSA-N 0 0 386.467 3.624 20 10 GHCDRN C/C(=C\c1ccc(Br)o1)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001138152164 1024248032 /nfs/dbraw/zinc/24/80/32/1024248032.db2.gz BOBCQFQVYVFMAH-HUYFXPKMSA-N 0 0 380.238 3.604 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)COCc3cccc(Cl)c3)CC2)cc1 ZINC000837386251 1024405864 /nfs/dbraw/zinc/40/58/64/1024405864.db2.gz MWTSWNCZQLTBPE-UHFFFAOYSA-N 0 0 388.895 3.650 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@@H](CO)Cc3ccc(C)cc3)c2C)cc1 ZINC001138242895 1024451941 /nfs/dbraw/zinc/45/19/41/1024451941.db2.gz FYRRLEFBJAXYLG-HXUWFJFHSA-N 0 0 392.499 3.745 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@]2(C)CCCOC2)c(C)n1-c1ccc(Cl)cn1 ZINC000837623152 1024592589 /nfs/dbraw/zinc/59/25/89/1024592589.db2.gz YHMRKVRPZZQSQM-HXUWFJFHSA-N 0 0 390.867 3.685 20 10 GHCDRN CC(=O)CCC(C)(C)C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000837685786 1024633617 /nfs/dbraw/zinc/63/36/17/1024633617.db2.gz WARPXFXPOYXJIW-UHFFFAOYSA-N 0 0 388.439 3.750 20 10 GHCDRN C/C(=C/c1ccc(F)cc1)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837708885 1024653274 /nfs/dbraw/zinc/65/32/74/1024653274.db2.gz YMQSMWFSYYYFFW-UVTDQMKNSA-N 0 0 390.405 3.660 20 10 GHCDRN O=C1CN(Cc2cc3c4c(c2O)CCCN4CCC3)Cc2ccc(Cl)cc21 ZINC001138341756 1024702518 /nfs/dbraw/zinc/70/25/18/1024702518.db2.gz VUWYQHOLEWWRTI-UHFFFAOYSA-N 0 0 382.891 3.943 20 10 GHCDRN CN1CCCc2cc(CN3C[C@@H](NC(=O)OC(C)(C)C)CC(F)(F)C3)ccc21 ZINC001138358996 1024722696 /nfs/dbraw/zinc/72/26/96/1024722696.db2.gz GTLISZJIYKBEDS-KRWDZBQOSA-N 0 0 395.494 3.803 20 10 GHCDRN C[C@@](Cc1ccccc1)(NC(=O)NCc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000837818022 1024735457 /nfs/dbraw/zinc/73/54/57/1024735457.db2.gz XOJVNFHKSHZUKD-DEOSSOPVSA-N 0 0 393.531 3.734 20 10 GHCDRN O=C(c1ccc2sc(Br)nc2c1)N1CCc2cccc(O)c2C1 ZINC001156770452 1033233165 /nfs/dbraw/zinc/23/31/65/1033233165.db2.gz HMTTYEMWAFBSAF-UHFFFAOYSA-N 0 0 389.274 3.963 20 10 GHCDRN CCOC(=O)[C@@H](CC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1)C(C)=O ZINC000831707083 1024767370 /nfs/dbraw/zinc/76/73/70/1024767370.db2.gz VNRAWBWHTODYFZ-JXFKEZNVSA-N 0 0 397.471 3.640 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C3CCCC3)C(F)(F)F)C2)cc1 ZINC001203110014 1024858269 /nfs/dbraw/zinc/85/82/69/1024858269.db2.gz SMHOZFFWKPYVNK-YOEHRIQHSA-N 0 0 385.430 3.694 20 10 GHCDRN Cc1cc(C(=O)NC2(CO)CCSCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000838004549 1024872063 /nfs/dbraw/zinc/87/20/63/1024872063.db2.gz DKRLXHOBMPBVNM-UHFFFAOYSA-N 0 0 378.925 3.735 20 10 GHCDRN O=C(NCCCSc1nccs1)NCc1cccc(C(F)(F)F)n1 ZINC000838513683 1025186028 /nfs/dbraw/zinc/18/60/28/1025186028.db2.gz KMERTPLNKLGNDG-UHFFFAOYSA-N 0 0 376.429 3.539 20 10 GHCDRN C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(Br)c2)CCC1(F)F ZINC001138676778 1025202408 /nfs/dbraw/zinc/20/24/08/1025202408.db2.gz VHTIWNXBIYBDOZ-CYBMUJFWSA-N 0 0 389.284 3.763 20 10 GHCDRN Brc1cc(CN2CCc3ccsc3C2)ccc1N1CCOCC1 ZINC001138679017 1025203281 /nfs/dbraw/zinc/20/32/81/1025203281.db2.gz NAHYIWQPBOISTQ-UHFFFAOYSA-N 0 0 393.350 3.906 20 10 GHCDRN C[C@H](NC(=O)NCc1noc(-c2cccc(F)c2)n1)c1ccc(N(C)C)cc1 ZINC000838558143 1025209018 /nfs/dbraw/zinc/20/90/18/1025209018.db2.gz DUBREDIRBGKRNG-ZDUSSCGKSA-N 0 0 383.427 3.502 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H](CC)NC(=O)OC(C)(C)C ZINC000838652620 1025266551 /nfs/dbraw/zinc/26/65/51/1025266551.db2.gz YPTRLJZDVOVMBB-MRXNPFEDSA-N 0 0 379.501 3.617 20 10 GHCDRN CC[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)N(C)C(=O)OC(C)(C)C ZINC001141506177 1025315105 /nfs/dbraw/zinc/31/51/05/1025315105.db2.gz SLZSCEGONXZRNH-IBGZPJMESA-N 0 0 389.540 3.889 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)NC2CCC(OC(F)F)CC2)C2CC2)cc1 ZINC000838716591 1025315942 /nfs/dbraw/zinc/31/59/42/1025315942.db2.gz XQNAIBKGGNXFEJ-UHFFFAOYSA-N 0 0 381.467 3.977 20 10 GHCDRN C[C@@H]1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC12CCC2 ZINC000838739429 1025338678 /nfs/dbraw/zinc/33/86/78/1025338678.db2.gz NHCNAUAEKMVDTK-OAHLLOKOSA-N 0 0 393.478 3.523 20 10 GHCDRN C[C@@H]1CCN(c2ccc(F)cc2F)CCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001156851158 1033278671 /nfs/dbraw/zinc/27/86/71/1033278671.db2.gz HWYXZPVPROAHAA-NMNMAYGDSA-N 0 0 388.414 3.517 20 10 GHCDRN Cc1cc(CN2CCN(c3ccc(OCc4ccccc4)cc3)CC2)nn1C ZINC001138830140 1025439047 /nfs/dbraw/zinc/43/90/47/1025439047.db2.gz FRTFORWGCCAITN-UHFFFAOYSA-N 0 0 376.504 3.630 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H](CO)CC2CCCC2)cc1 ZINC001138869721 1025498349 /nfs/dbraw/zinc/49/83/49/1025498349.db2.gz ZSRMNVNOZWBCJU-NRFANRHFSA-N 0 0 382.504 3.507 20 10 GHCDRN CN(Cc1nccn1C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838994759 1025506973 /nfs/dbraw/zinc/50/69/73/1025506973.db2.gz MBTAWCMCRXBSHV-UHFFFAOYSA-N 0 0 377.330 3.805 20 10 GHCDRN COCc1cc(CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)no1 ZINC000839003154 1025510329 /nfs/dbraw/zinc/51/03/29/1025510329.db2.gz IICJCAALEUYFBR-UHFFFAOYSA-N 0 0 387.480 3.799 20 10 GHCDRN COc1c([O-])c(C[NH2+]Cc2ccc(Br)c(C)c2)ccc1[N+](=O)[O-] ZINC000839147278 1025644414 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CCOc1ccc(C[C@H](C)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000839471855 1025963163 /nfs/dbraw/zinc/96/31/63/1025963163.db2.gz HRZZVPAGDGUNGR-IBGZPJMESA-N 0 0 396.531 3.759 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NCc2nc3sc4c(c3c(N)n2)CCCC4)c1 ZINC000839540313 1026030162 /nfs/dbraw/zinc/03/01/62/1026030162.db2.gz SOJPKVYYRSSKRV-LLVKDONJSA-N 0 0 384.505 3.717 20 10 GHCDRN CCOC(=O)c1sc2[nH]cnc(=N[C@@H](C)c3ccc(N(C)C)cc3)c2c1C ZINC001163099394 1026041191 /nfs/dbraw/zinc/04/11/91/1026041191.db2.gz HGVOBIJDABHFLW-ZDUSSCGKSA-N 0 0 384.505 3.837 20 10 GHCDRN CC[C@@H](C)C[C@@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)OC ZINC001163178141 1026079240 /nfs/dbraw/zinc/07/92/40/1026079240.db2.gz YOWFSFSLODGLLH-JLTOFOAXSA-N 0 0 386.492 3.810 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC001461061046 1069368777 /nfs/dbraw/zinc/36/87/77/1069368777.db2.gz MITMUMJVRFITFJ-UHFFFAOYSA-N 0 0 382.895 3.688 20 10 GHCDRN CSc1cc(C)ccc1NC(=O)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839635196 1026140786 /nfs/dbraw/zinc/14/07/86/1026140786.db2.gz WNLBNUGJYKJADQ-MRXNPFEDSA-N 0 0 399.560 3.777 20 10 GHCDRN Cc1cc(C(=O)CN2C[C@@H](O)C[C@H]2c2ccccc2)c(C)n1-c1ccc(F)cn1 ZINC000839635819 1026142364 /nfs/dbraw/zinc/14/23/64/1026142364.db2.gz KCKUZDHOKVPLTP-FPOVZHCZSA-N 0 0 393.462 3.619 20 10 GHCDRN CCc1nn(C)c(Cl)c1CNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC001461068229 1069373798 /nfs/dbraw/zinc/37/37/98/1069373798.db2.gz SITGLOYFFMTWSZ-KBPBESRZSA-N 0 0 394.922 3.678 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1ccc(C(=O)N2CCOCC2)cn1 ZINC001163486652 1026210590 /nfs/dbraw/zinc/21/05/90/1026210590.db2.gz LXSYHDYRHLIWQH-NRFANRHFSA-N 0 0 395.503 3.612 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1nc(-c2ccncc2)nc(C)c1C ZINC001163524676 1026223111 /nfs/dbraw/zinc/22/31/11/1026223111.db2.gz WAEKSYMNITYNNR-INIZCTEOSA-N 0 0 375.520 3.995 20 10 GHCDRN Cc1cc(CC(=O)NCc2ncnn2C(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000839749050 1026246670 /nfs/dbraw/zinc/24/66/70/1026246670.db2.gz ZDRGIZISHSGVMJ-UHFFFAOYSA-N 0 0 385.899 3.779 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000839912649 1026343296 /nfs/dbraw/zinc/34/32/96/1026343296.db2.gz GFGGZXYFTMMZSA-HNNXBMFYSA-N 0 0 397.544 3.856 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cc1csc(-c2cccnc2)n1 ZINC000839914703 1026343727 /nfs/dbraw/zinc/34/37/27/1026343727.db2.gz BDYVMDYOWHPVOT-MRXNPFEDSA-N 0 0 394.544 3.869 20 10 GHCDRN CSc1ncc(Cl)c(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000839915422 1026343987 /nfs/dbraw/zinc/34/39/87/1026343987.db2.gz FDVTUCSHIFCCCK-LBPRGKRZSA-N 0 0 378.929 3.587 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccccc1N(C)C(=O)C1CC1 ZINC000839918249 1026346505 /nfs/dbraw/zinc/34/65/05/1026346505.db2.gz LKFQOJIJUJIZLN-KRWDZBQOSA-N 0 0 393.531 3.795 20 10 GHCDRN Cc1nn(C(F)F)c(C)c1CC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839918137 1026346525 /nfs/dbraw/zinc/34/65/25/1026346525.db2.gz JUADLGCRYPICQG-ZDUSSCGKSA-N 0 0 378.467 3.559 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000839919869 1026346876 /nfs/dbraw/zinc/34/68/76/1026346876.db2.gz WDLFKSXJDALCPV-MRXNPFEDSA-N 0 0 381.520 3.792 20 10 GHCDRN Cc1onc(-c2ccncc2)c1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920225 1026347595 /nfs/dbraw/zinc/34/75/95/1026347595.db2.gz NQQTXNRYBHAMRR-OAHLLOKOSA-N 0 0 378.476 3.780 20 10 GHCDRN COc1ccc(N2CC[NH+](CCCNc3cc(F)ccc3[S-])CC2)cc1 ZINC001164335713 1026489236 /nfs/dbraw/zinc/48/92/36/1026489236.db2.gz HYPIRMUSLXUVJQ-UHFFFAOYSA-N 0 0 375.513 3.747 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC2(CC[N@H+](Cc3c(F)ccc(F)c3[O-])C2)CC1 ZINC001139681564 1026536123 /nfs/dbraw/zinc/53/61/23/1026536123.db2.gz TXSIWHVLXZBNMJ-UHFFFAOYSA-N 0 0 382.451 3.893 20 10 GHCDRN Cc1cccc(CN2CC[C@]3(CC[N@H+](Cc4c(F)ccc(F)c4[O-])C3)C2=O)c1 ZINC001139681881 1026537006 /nfs/dbraw/zinc/53/70/06/1026537006.db2.gz GURLPCFOUKSJLM-QFIPXVFZSA-N 0 0 386.442 3.603 20 10 GHCDRN O=C(NCc1ccc(Cl)cc1)C1CC[NH+](Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139690578 1026542094 /nfs/dbraw/zinc/54/20/94/1026542094.db2.gz YGTJKLWTOYIDOJ-UHFFFAOYSA-N 0 0 394.849 3.852 20 10 GHCDRN Oc1cccc(Br)c1CN1Cc2cc(Br)cnc2C1 ZINC001140100794 1026878972 /nfs/dbraw/zinc/87/89/72/1026878972.db2.gz BTPYRYVHNOZTJR-UHFFFAOYSA-N 0 0 384.071 3.828 20 10 GHCDRN CN(Cc1c(O)cccc1Br)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140101175 1026879179 /nfs/dbraw/zinc/87/91/79/1026879179.db2.gz LKRKTLPPFFADQI-LBPRGKRZSA-N 0 0 385.302 3.596 20 10 GHCDRN COc1ccc(N(C#N)CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)cc1 ZINC001166057361 1026906530 /nfs/dbraw/zinc/90/65/30/1026906530.db2.gz MLEPGICTBGPMDM-UHFFFAOYSA-N 0 0 378.407 3.807 20 10 GHCDRN COC(=O)c1cnc(SC[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)s1 ZINC000834382531 1026962390 /nfs/dbraw/zinc/96/23/90/1026962390.db2.gz MVQPNCWNIQACDY-GXFFZTMASA-N 0 0 387.910 3.814 20 10 GHCDRN COC(=O)c1cc(Cl)cnc1N1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001166816161 1027093281 /nfs/dbraw/zinc/09/32/81/1027093281.db2.gz UZCXEGQWTXUXLC-UHFFFAOYSA-N 0 0 385.851 3.585 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2nccc(-c3cccnc3F)n2)C1 ZINC001166818754 1027093764 /nfs/dbraw/zinc/09/37/64/1027093764.db2.gz RSUBSWLTPWIIBC-UHFFFAOYSA-N 0 0 389.434 3.741 20 10 GHCDRN Cc1cc(C(=O)COc2ccc(C(N)=O)cc2F)c(C)n1-c1ccc(C)cc1 ZINC001166950612 1027164914 /nfs/dbraw/zinc/16/49/14/1027164914.db2.gz JMJRIMJRAMYVHZ-UHFFFAOYSA-N 0 0 380.419 3.902 20 10 GHCDRN CN(C)S(=O)(=O)c1cccc(N(c2ccc(N)cc2)c2ccc(N)cc2)c1 ZINC001203280532 1027259561 /nfs/dbraw/zinc/25/95/61/1027259561.db2.gz XWFXSPQHWJXPIM-UHFFFAOYSA-N 0 0 382.489 3.571 20 10 GHCDRN Cc1sc(C)c(S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1C ZINC001210038914 1027324748 /nfs/dbraw/zinc/32/47/48/1027324748.db2.gz NFCDTNAXJKHHNJ-KRWDZBQOSA-N 0 0 395.546 3.749 20 10 GHCDRN COc1ccc(N2CCCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000840248020 1027377071 /nfs/dbraw/zinc/37/70/71/1027377071.db2.gz LIQMVKMKEIREBO-UHFFFAOYSA-N 0 0 378.432 3.868 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000840260386 1027389985 /nfs/dbraw/zinc/38/99/85/1027389985.db2.gz YHKKPZGJKATMDB-IBGZPJMESA-N 0 0 382.483 3.504 20 10 GHCDRN CC(=O)c1ccc2c(c1)CN(C(=O)N[C@@H](C)c1ccc(N3CCOCC3)cc1)C2 ZINC000840272058 1027398432 /nfs/dbraw/zinc/39/84/32/1027398432.db2.gz RUFBCTVWARYZNR-INIZCTEOSA-N 0 0 393.487 3.512 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1F ZINC000840281353 1027406813 /nfs/dbraw/zinc/40/68/13/1027406813.db2.gz RULGZOCYSHWHNY-NRFANRHFSA-N 0 0 397.494 3.955 20 10 GHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC001203574992 1027443226 /nfs/dbraw/zinc/44/32/26/1027443226.db2.gz AJNVQKHRFCTYSL-GJZGRUSLSA-N 0 0 378.303 3.658 20 10 GHCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001203574087 1027443484 /nfs/dbraw/zinc/44/34/84/1027443484.db2.gz OGDFPXZHAGJTBE-DGCLKSJQSA-N 0 0 376.177 3.926 20 10 GHCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2c(C)cnn2C)cc1 ZINC000840336366 1027464451 /nfs/dbraw/zinc/46/44/51/1027464451.db2.gz YGYZMCHRMRXNET-UHFFFAOYSA-N 0 0 378.476 3.650 20 10 GHCDRN Cc1ccc(S(=O)(=O)N(c2cnn(C(F)(F)F)c2)c2ccc(N)cc2)cc1 ZINC001210363119 1027469292 /nfs/dbraw/zinc/46/92/92/1027469292.db2.gz UQTNYOUEKZGUFO-UHFFFAOYSA-N 0 0 396.394 3.777 20 10 GHCDRN COc1ccc(CN2Cc3ncn(CC4CC4)c3[C@H](COCC3CC3)C2)c(O)c1 ZINC001203621890 1027483473 /nfs/dbraw/zinc/48/34/73/1027483473.db2.gz JKKZRPBVSJVOFR-IBGZPJMESA-N 0 0 397.519 3.533 20 10 GHCDRN CC[C@@H](CNC(=O)NCc1cc(Br)ccc1O)CC(F)(F)F ZINC000840429088 1027530402 /nfs/dbraw/zinc/53/04/02/1027530402.db2.gz FYDJIBJXJSWXAE-SECBINFHSA-N 0 0 383.208 3.933 20 10 GHCDRN Cc1n[nH]cc1C1CCN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000840484091 1027568122 /nfs/dbraw/zinc/56/81/22/1027568122.db2.gz MSLDUCRDNMLKNB-INIZCTEOSA-N 0 0 383.540 3.613 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000840487137 1027572354 /nfs/dbraw/zinc/57/23/54/1027572354.db2.gz GCJMMWBQBUODBN-OAHLLOKOSA-N 0 0 380.492 3.698 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000840489099 1027575071 /nfs/dbraw/zinc/57/50/71/1027575071.db2.gz QVCHMZYAAXGVGQ-XMSQKQJNSA-N 0 0 399.535 3.976 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1(c2ccc(F)cc2)CCOCC1 ZINC000840556691 1027614785 /nfs/dbraw/zinc/61/47/85/1027614785.db2.gz MUNYMLWSIXLWNW-SFHVURJKSA-N 0 0 398.522 3.996 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC2(CC(F)(F)CN2Cc2ccc(O)c(O)c2)CC1 ZINC001203875814 1027675176 /nfs/dbraw/zinc/67/51/76/1027675176.db2.gz WHKBEAHGMBRMRR-UHFFFAOYSA-N 0 0 398.450 3.709 20 10 GHCDRN COC(=O)CCN(CC(C)C)C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC001141945009 1027724544 /nfs/dbraw/zinc/72/45/44/1027724544.db2.gz JUJPHWBGSFVRDL-UHFFFAOYSA-N 0 0 386.492 3.764 20 10 GHCDRN COc1ccc([C@H](CO)CNC(=O)c2sccc2-n2c(C)ccc2C)cc1 ZINC001141962072 1027752750 /nfs/dbraw/zinc/75/27/50/1027752750.db2.gz LWXWVZKKMOKWCZ-KRWDZBQOSA-N 0 0 384.501 3.670 20 10 GHCDRN C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1nc2c(s1)CCCC2 ZINC000840760019 1027798434 /nfs/dbraw/zinc/79/84/34/1027798434.db2.gz QLOAFIANKKCPMH-CYBMUJFWSA-N 0 0 393.503 3.988 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001141982964 1027809359 /nfs/dbraw/zinc/80/93/59/1027809359.db2.gz QGJQJTBYPIKLMB-UHFFFAOYSA-N 0 0 377.400 3.745 20 10 GHCDRN C[C@@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1cc(Cl)c(Cl)cc1[O-] ZINC000840796686 1027831005 /nfs/dbraw/zinc/83/10/05/1027831005.db2.gz GRGPEZKBVNHAMM-BDJLRTHQSA-N 0 0 390.307 3.765 20 10 GHCDRN COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])cc1 ZINC000840809328 1027849634 /nfs/dbraw/zinc/84/96/34/1027849634.db2.gz RANJSICMJGFLPR-AAEUAGOBSA-N 0 0 398.272 3.729 20 10 GHCDRN CCc1ccc(NC(=S)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000840840759 1027871735 /nfs/dbraw/zinc/87/17/35/1027871735.db2.gz BGFAZQNREDGIHM-UHFFFAOYSA-N 0 0 391.487 3.850 20 10 GHCDRN COC(=O)[C@@H](C)c1cccc(NC(=S)NCCCN(C)c2ccccc2)c1 ZINC000840854258 1027888759 /nfs/dbraw/zinc/88/87/59/1027888759.db2.gz AWVVZDLDOMFTPM-INIZCTEOSA-N 0 0 385.533 3.776 20 10 GHCDRN C[C@H](NCc1nccc(C(F)(F)F)n1)c1ccc(Br)cc1O ZINC000840870428 1027908914 /nfs/dbraw/zinc/90/89/14/1027908914.db2.gz ZYLWQAPVDUTELK-QMMMGPOBSA-N 0 0 376.176 3.814 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000840882741 1027919878 /nfs/dbraw/zinc/91/98/78/1027919878.db2.gz BNJQHIAXWWASJP-QZTJIDSGSA-N 0 0 381.520 3.923 20 10 GHCDRN CCN(CC)c1ccc(CNc2ccc(OC)c(S(C)(=O)=O)c2)cc1F ZINC000840971291 1028006111 /nfs/dbraw/zinc/00/61/11/1028006111.db2.gz JVRXCBDDODIKGP-UHFFFAOYSA-N 0 0 380.485 3.696 20 10 GHCDRN CN(C)c1ccc(C[N@H+](CCc2ccccc2)CC(=O)[O-])c(C(F)(F)F)c1 ZINC000840995225 1028028523 /nfs/dbraw/zinc/02/85/23/1028028523.db2.gz WFRVWIAYDVKHRS-UHFFFAOYSA-N 0 0 380.410 3.901 20 10 GHCDRN CCCCc1oc2ccccc2c1CN(C)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841013383 1028042026 /nfs/dbraw/zinc/04/20/26/1028042026.db2.gz PNTJBVXRULYOCB-UHFFFAOYSA-N 0 0 379.460 3.955 20 10 GHCDRN Nc1ccc(CCNC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1 ZINC000841065495 1028083099 /nfs/dbraw/zinc/08/30/99/1028083099.db2.gz QLLJYPRKRPHMNR-UHFFFAOYSA-N 0 0 380.492 3.649 20 10 GHCDRN CC1CCN(C(=O)c2ccc(NC(=O)NCCc3ccc(N)cc3)cc2)CC1 ZINC000841070348 1028090156 /nfs/dbraw/zinc/09/01/56/1028090156.db2.gz ACMSAJBZGXVHOZ-UHFFFAOYSA-N 0 0 380.492 3.505 20 10 GHCDRN Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](Cc3csc4ccccc34)C2)cc1 ZINC000841090031 1028112658 /nfs/dbraw/zinc/11/26/58/1028112658.db2.gz TWTVFDVDUOXPIV-HNNXBMFYSA-N 0 0 393.512 3.903 20 10 GHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc3cnccc3n2)cc1 ZINC000841107767 1028147534 /nfs/dbraw/zinc/14/75/34/1028147534.db2.gz KZWZEPMTVGUJSE-UHFFFAOYSA-N 0 0 388.393 3.901 20 10 GHCDRN Nc1ccc(NC(=O)C(=O)NCC2(c3c(Cl)cccc3Cl)CCC2)cc1 ZINC000841118942 1028163899 /nfs/dbraw/zinc/16/38/99/1028163899.db2.gz APNYHJJOFCJTJC-UHFFFAOYSA-N 0 0 392.286 3.752 20 10 GHCDRN CCOc1ccc(SCC(=O)N(C)CCN(C)c2ccc(OC)cc2)cc1 ZINC001461347571 1069512847 /nfs/dbraw/zinc/51/28/47/1069512847.db2.gz WOGZDGFJHKYRRM-UHFFFAOYSA-N 0 0 388.533 3.781 20 10 GHCDRN COc1ccc(N2CCN(Cc3c(C)nn(C(C)(C)C)c3C)CC2)c(OC)c1 ZINC001142184461 1028317886 /nfs/dbraw/zinc/31/78/86/1028317886.db2.gz DZCXAPDINWHNHN-UHFFFAOYSA-N 0 0 386.540 3.594 20 10 GHCDRN CC(C)(C)C[C@@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC001461358624 1069517731 /nfs/dbraw/zinc/51/77/31/1069517731.db2.gz REQAJFKWCKPURK-NSHDSACASA-N 0 0 395.135 3.804 20 10 GHCDRN COc1cc([C@H](NC(=O)Nc2ccc(N)cc2)C(F)(F)F)cc(OC)c1OC ZINC000841296745 1028387488 /nfs/dbraw/zinc/38/74/88/1028387488.db2.gz YPYZZPJKDMIRIE-INIZCTEOSA-N 0 0 399.369 3.720 20 10 GHCDRN Nc1ccc(NC(=O)N2CCC(O)(c3ccccc3C(F)(F)F)CC2)cc1 ZINC000841297345 1028389987 /nfs/dbraw/zinc/38/99/87/1028389987.db2.gz OXYCAXCYZHICNQ-UHFFFAOYSA-N 0 0 379.382 3.803 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3cc(-c4cnccn4)[nH]n3)n2)cc1 ZINC001213833928 1028397262 /nfs/dbraw/zinc/39/72/62/1028397262.db2.gz LXJPRNXNWCYABP-UHFFFAOYSA-N 0 0 383.415 3.991 20 10 GHCDRN COc1cc(CCC(=O)n2c(=N)ccc(/N=N/c3ccccc3)c2N)ccn1 ZINC001142228084 1028425261 /nfs/dbraw/zinc/42/52/61/1028425261.db2.gz CPURXGJJDUSQRI-MHWBOGJCSA-N 0 0 376.420 3.642 20 10 GHCDRN CON(C)C(=O)c1cc(-n2c(=N)ccc(/N=N/c3ccccc3)c2N)ccc1F ZINC001214252099 1028622473 /nfs/dbraw/zinc/62/24/73/1028622473.db2.gz QSPWKSHOMXVVTB-CWVRCJGXSA-N 0 0 394.410 3.727 20 10 GHCDRN COC(=O)NCc1ccc(NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)cc1 ZINC000841642640 1028798324 /nfs/dbraw/zinc/79/83/24/1028798324.db2.gz YKIKBBVBEFINDE-MRXNPFEDSA-N 0 0 398.507 3.670 20 10 GHCDRN COCCOc1nccnc1-c1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC001214653232 1028839738 /nfs/dbraw/zinc/83/97/38/1028839738.db2.gz YIASGANGGFLTPL-UHFFFAOYSA-N 0 0 391.431 3.626 20 10 GHCDRN Nc1ccc(CCNC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000841734687 1028892319 /nfs/dbraw/zinc/89/23/19/1028892319.db2.gz MNBNIIKXZVLUCX-UHFFFAOYSA-N 0 0 387.911 3.512 20 10 GHCDRN C[C@H](NC(=O)NCCc1ccc(N)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000841741852 1028905075 /nfs/dbraw/zinc/90/50/75/1028905075.db2.gz VGUBMQUJAQHSMT-ZDUSSCGKSA-N 0 0 381.398 3.813 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)Nc1cccc([C@H]2CCC(=O)N2)c1 ZINC000841762466 1028919738 /nfs/dbraw/zinc/91/97/38/1028919738.db2.gz OSKNIOFVTDYDMX-HXUWFJFHSA-N 0 0 378.476 3.560 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccc(C(=O)N(C)C)cc2F)cc1 ZINC000841770985 1028929057 /nfs/dbraw/zinc/92/90/57/1028929057.db2.gz RIRZQBZRWPFQDJ-UHFFFAOYSA-N 0 0 386.471 3.695 20 10 GHCDRN Cc1c(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc(F)c1F ZINC000841792169 1028938825 /nfs/dbraw/zinc/93/88/25/1028938825.db2.gz QYKFOCUYKXWUGE-UHFFFAOYSA-N 0 0 375.419 3.774 20 10 GHCDRN CCOC(=O)c1snnc1-c1nc(-c2ccc(Br)cc2C)no1 ZINC001214859439 1028941533 /nfs/dbraw/zinc/94/15/33/1028941533.db2.gz FXKCSMSZMHMWNM-UHFFFAOYSA-N 0 0 395.238 3.503 20 10 GHCDRN CN1CCCc2cc(CNC(=O)[C@@]3(C(=O)OC(C)(C)C)CC=CCC3)ccc21 ZINC001142465157 1028971167 /nfs/dbraw/zinc/97/11/67/1028971167.db2.gz DCPOLEUXRZQFKA-HSZRJFAPSA-N 0 0 384.520 3.753 20 10 GHCDRN COCc1c(Br)cccc1NC(=O)NCc1c(O)cccc1F ZINC001215055657 1029015920 /nfs/dbraw/zinc/01/59/20/1029015920.db2.gz GKHFXTBLPMIODR-UHFFFAOYSA-N 0 0 383.217 3.762 20 10 GHCDRN CC[C@H]1[N@H+](Cc2cc(F)c(F)cc2[O-])CCC[C@]12CCC(=O)N2CC1CC1 ZINC001142517485 1029022451 /nfs/dbraw/zinc/02/24/51/1029022451.db2.gz PAPRAYYPSFSTJT-CTNGQTDRSA-N 0 0 378.463 3.816 20 10 GHCDRN O=C(NCc1cc(Cl)ccc1O)Nc1nnc(Cc2ccccc2F)s1 ZINC001215258884 1029117931 /nfs/dbraw/zinc/11/79/31/1029117931.db2.gz UOBOJIPCRBHMDO-UHFFFAOYSA-N 0 0 392.843 3.949 20 10 GHCDRN C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000842176055 1029126443 /nfs/dbraw/zinc/12/64/43/1029126443.db2.gz CZHLXZVBAUKAFF-QLFBSQMISA-N 0 0 381.467 3.943 20 10 GHCDRN Oc1ccc(-c2nc(-c3cc(F)cc(I)c3)no2)cc1O ZINC001215304665 1029141182 /nfs/dbraw/zinc/14/11/82/1029141182.db2.gz XPPXJKYXNIGODS-UHFFFAOYSA-N 0 0 398.131 3.559 20 10 GHCDRN Cc1cccc(NC(=O)c2cccc(O)c2O)c1C(=O)NCCc1ccccc1 ZINC001142645609 1029201854 /nfs/dbraw/zinc/20/18/54/1029201854.db2.gz AVHQCPQTQDOSDT-UHFFFAOYSA-N 0 0 390.439 3.631 20 10 GHCDRN Nc1ccc2c(c1Nc1ccc(F)c(CO)c1F)C(=O)c1ccccc1C2=O ZINC001215654270 1029329278 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3.551 20 10 GHCDRN COC(=O)Nc1cccc(C(=O)OC[C@@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000842878308 1029655627 /nfs/dbraw/zinc/65/56/27/1029655627.db2.gz LNMAPPUEXWOTJL-OAHLLOKOSA-N 0 0 384.432 3.557 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)[C@@H](C)Oc3cccc(C(C)=O)c3)C2)cc1 ZINC000842880110 1029658060 /nfs/dbraw/zinc/65/80/60/1029658060.db2.gz YKJPVSGPOVKACT-MSOLQXFVSA-N 0 0 397.471 3.735 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)C[C@@H]3OCCc4ccccc43)C2)cc1 ZINC000842880512 1029658093 /nfs/dbraw/zinc/65/80/93/1029658093.db2.gz YRLJMYWPHHIPJY-VGSWGCGISA-N 0 0 381.472 3.769 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3c(C)onc3-c3ccncc3)C2)cc1 ZINC000842879937 1029659262 /nfs/dbraw/zinc/65/92/62/1029659262.db2.gz SWMZKNBPIBJAFZ-INIZCTEOSA-N 0 0 393.443 3.737 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)OCC3CN(c4ccccn4)C3)ccc21 ZINC000842891440 1029666502 /nfs/dbraw/zinc/66/65/02/1029666502.db2.gz OUKKDEUSQVEGDB-UHFFFAOYSA-N 0 0 393.487 3.593 20 10 GHCDRN COc1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ncc1Br ZINC001216643770 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COC(=O)N1CCC[C@@H](NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)C1 ZINC001318323064 1054566919 /nfs/dbraw/zinc/56/69/19/1054566919.db2.gz BPWNXTUDVATUHX-OAHLLOKOSA-N 0 0 389.883 3.708 20 10 GHCDRN CO[C@H]1CN(c2nnc(C3SC=CC3=O)n2Cc2cccs2)CC[C@@H]1C ZINC001344901981 1054793127 /nfs/dbraw/zinc/79/31/27/1054793127.db2.gz XAFVZXXCUUGJAC-WFASDCNBSA-N 0 0 390.534 3.683 20 10 GHCDRN O=C(NCc1ccc(NC(=O)C2CC2)cc1)NCc1c(O)ccc2c1CCCC2 ZINC001318938909 1054956009 /nfs/dbraw/zinc/95/60/09/1054956009.db2.gz MKGNGHOENHFXHN-UHFFFAOYSA-N 0 0 393.487 3.619 20 10 GHCDRN C[C@@H](NC(=O)NCc1cccc(Cl)c1F)c1ccc(N2CCOCC2)cc1 ZINC001318958069 1054965619 /nfs/dbraw/zinc/96/56/19/1054965619.db2.gz SJLBLPGZBYMKGQ-CQSZACIVSA-N 0 0 391.874 3.876 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2cnn(Cc3cccnc3)c2)cc1F ZINC001319037620 1055002925 /nfs/dbraw/zinc/00/29/25/1055002925.db2.gz HYNMTPQMESIWLB-UHFFFAOYSA-N 0 0 396.470 3.633 20 10 GHCDRN COCCn1c(C2SC=CC2=O)nnc1N1Cc2cccc(Cl)c2C1 ZINC001345770802 1055249868 /nfs/dbraw/zinc/24/98/68/1055249868.db2.gz IAZJXSLGGJPOJP-UHFFFAOYSA-N 0 0 376.869 3.532 20 10 GHCDRN CCOc1ccc(N2CCN(Cc3nc4sc(C)c(C)c4c(N)n3)CC2)cc1 ZINC001319755295 1055446107 /nfs/dbraw/zinc/44/61/07/1055446107.db2.gz HWDGGYNDDQSZSZ-UHFFFAOYSA-N 0 0 397.548 3.611 20 10 GHCDRN CCOc1ccc(N2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)cc1 ZINC001319842105 1055500510 /nfs/dbraw/zinc/50/05/10/1055500510.db2.gz HSVUKNXLNRNLEY-UHFFFAOYSA-N 0 0 378.432 3.868 20 10 GHCDRN CCc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1CC ZINC001319931644 1055549258 /nfs/dbraw/zinc/54/92/58/1055549258.db2.gz CCGJDYNCZXJRIU-UHFFFAOYSA-N 0 0 384.495 3.842 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)c3cc(C)n([C@@H](C)C4CC4)n3)CC2)cc1 ZINC001319984123 1055579530 /nfs/dbraw/zinc/57/95/30/1055579530.db2.gz PTJYJRDPKPDCPO-KRWDZBQOSA-N 0 0 382.508 3.524 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccnc(Cc2ccccc2)n1 ZINC001320013380 1055596579 /nfs/dbraw/zinc/59/65/79/1055596579.db2.gz IKBXONPNUYCYQG-UHFFFAOYSA-N 0 0 385.471 3.765 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccnc(Cc3ccccc3)n2)c1 ZINC001320130250 1055667863 /nfs/dbraw/zinc/66/78/63/1055667863.db2.gz CDKZIWPFDYCPPC-AWEZNQCLSA-N 0 0 378.432 3.664 20 10 GHCDRN COC(=O)C[C@@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccc(C)cc1 ZINC001320380348 1055779246 /nfs/dbraw/zinc/77/92/46/1055779246.db2.gz CIHNNJUOSBWESK-OXQOHEQNSA-N 0 0 383.492 3.726 20 10 GHCDRN COC(=O)[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccc(OC)c(Cl)c1 ZINC001320487420 1055833816 /nfs/dbraw/zinc/83/38/16/1055833816.db2.gz UTULJMAYXICILT-FQEVSTJZSA-N 0 0 388.895 3.953 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCCCN2C(=O)OC(C)(C)C)c1 ZINC001320765019 1055954393 /nfs/dbraw/zinc/95/43/93/1055954393.db2.gz SWVSNILPMSWBMQ-YOEHRIQHSA-N 0 0 392.496 3.758 20 10 GHCDRN CCCNC(=O)[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)c2ccccc2O1 ZINC001320869737 1055993735 /nfs/dbraw/zinc/99/37/35/1055993735.db2.gz QZTPESXUZIBPFK-QFIPXVFZSA-N 0 0 379.504 3.581 20 10 GHCDRN COCC[C@]1(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)CCOC1 ZINC001320914889 1056013490 /nfs/dbraw/zinc/01/34/90/1056013490.db2.gz ZJDFKEDVFWXFTM-FQEVSTJZSA-N 0 0 376.884 3.673 20 10 GHCDRN Cn1cc(-c2ccc(/C=C3/SC(=S)N(c4cccnc4)C3=O)cc2)cn1 ZINC001321071867 1056078774 /nfs/dbraw/zinc/07/87/74/1056078774.db2.gz FEJUUIPUIXBXMA-RQZCQDPDSA-N 0 0 378.482 3.888 20 10 GHCDRN O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1c2nonc2ccc1Cl ZINC001321103115 1056094773 /nfs/dbraw/zinc/09/47/73/1056094773.db2.gz GEAAYFUZWZLWAL-UHFFFAOYSA-N 0 0 393.230 3.678 20 10 GHCDRN Cc1ccc(-c2ccnn2C)cc1NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001321312848 1056220012 /nfs/dbraw/zinc/22/00/12/1056220012.db2.gz MZSSSKWNBRMKLI-UHFFFAOYSA-N 0 0 393.510 3.899 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3ccc(Cn4cccc4)cc3)CC2)cc1 ZINC001321565963 1056318425 /nfs/dbraw/zinc/31/84/25/1056318425.db2.gz HOCJCHBDYDFAIF-UHFFFAOYSA-N 0 0 389.499 3.898 20 10 GHCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cc(Cl)ncc1F ZINC001354114435 1056347795 /nfs/dbraw/zinc/34/77/95/1056347795.db2.gz VJLZOKVYJZGQDS-UHFFFAOYSA-N 0 0 380.762 3.902 20 10 GHCDRN CC1CCC(N2C[C@@H](C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)CC2=O)CC1 ZINC001354142006 1056368016 /nfs/dbraw/zinc/36/80/16/1056368016.db2.gz PJQHBAPZRNZIOY-BIXGBWIQSA-N 0 0 397.563 3.671 20 10 GHCDRN COc1cc(CN2CCn3c(nnc3C3CCCC3)C2)c(O)c(C(C)(C)C)c1 ZINC001321833308 1056412427 /nfs/dbraw/zinc/41/24/27/1056412427.db2.gz KFHMLPYBXNBSAO-UHFFFAOYSA-N 0 0 384.524 3.963 20 10 GHCDRN Cc1cc(C(=O)NC[C@@H](CO)CC2CCOCC2)c(C)n1-c1ccccc1C ZINC001322026605 1056479825 /nfs/dbraw/zinc/47/98/25/1056479825.db2.gz IEIASIZFVSFBRH-FQEVSTJZSA-N 0 0 384.520 3.558 20 10 GHCDRN COc1ccc(CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H](C)C2CC2)c(OC)c1 ZINC000848101583 1056626309 /nfs/dbraw/zinc/62/63/09/1056626309.db2.gz GTHKPDXUXZNMFV-IWOOQVRJSA-N 0 0 397.471 3.956 20 10 GHCDRN CO[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001354574211 1056785492 /nfs/dbraw/zinc/78/54/92/1056785492.db2.gz FKOFAKQSSCTNAO-NRFANRHFSA-N 0 0 385.419 3.658 20 10 GHCDRN OC1CCN(c2ccc(CNc3nc(C4CC4)nc4c3CCC4)cc2F)CC1 ZINC001322744492 1056830565 /nfs/dbraw/zinc/83/05/65/1056830565.db2.gz PRMPGHMZVVXIRJ-UHFFFAOYSA-N 0 0 382.483 3.555 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[C@@H](c1nccn1C)C(F)(F)F ZINC000848226997 1056912648 /nfs/dbraw/zinc/91/26/48/1056912648.db2.gz XKXZYNIYUSHUEL-PBHICJAKSA-N 0 0 396.457 3.578 20 10 GHCDRN CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c(NC(C)C)c1 ZINC001300736001 1056963836 /nfs/dbraw/zinc/96/38/36/1056963836.db2.gz IGUAMNIRAKNHHM-UXBLZVDNSA-N 0 0 384.432 3.747 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCc3c(nnn3C)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000848309000 1056994019 /nfs/dbraw/zinc/99/40/19/1056994019.db2.gz FWAMILAMDYCMCW-SFHVURJKSA-N 0 0 391.519 3.633 20 10 GHCDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1c2nonc2ccc1Cl ZINC001323706723 1057002951 /nfs/dbraw/zinc/00/29/51/1057002951.db2.gz HEZIAWZRSGMXCT-SSDOTTSWSA-N 0 0 397.174 3.844 20 10 GHCDRN Cc1cc(-c2nnc(C3(S(C)(=O)=O)CCCC3)o2)c(C)n1-c1ccccc1 ZINC001323902649 1057031763 /nfs/dbraw/zinc/03/17/63/1057031763.db2.gz FUFIZAYTGFWCNL-UHFFFAOYSA-N 0 0 385.489 3.958 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Cc3ccc4cccnc4c3)CC2)cc1 ZINC001355446132 1057163528 /nfs/dbraw/zinc/16/35/28/1057163528.db2.gz NNTADLNGUAEAPY-UHFFFAOYSA-N 0 0 375.472 3.525 20 10 GHCDRN C[C@@H]1COCCN1CCSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC001472972244 1057163615 /nfs/dbraw/zinc/16/36/15/1057163615.db2.gz YIKQYXPHEMKMLH-MJGOQNOKSA-N 0 0 387.549 3.542 20 10 GHCDRN COc1cc(Br)cc([C@H](C)Nc2ccc(COCCO)cc2)c1O ZINC000848555167 1057175695 /nfs/dbraw/zinc/17/56/95/1057175695.db2.gz MHNIWQFECGBCSX-LBPRGKRZSA-N 0 0 396.281 3.845 20 10 GHCDRN CN(C)c1ccc(/C=C\CN[C@@H](Cc2ccncc2)C(=O)OC(C)(C)C)cc1 ZINC000848575928 1057191027 /nfs/dbraw/zinc/19/10/27/1057191027.db2.gz DFFQQFYQLACKEJ-NGXITPROSA-N 0 0 381.520 3.703 20 10 GHCDRN O=C(Nc1c2nonc2ccc1Cl)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC001324718096 1057211134 /nfs/dbraw/zinc/21/11/34/1057211134.db2.gz KKRYREJCGIURNI-SNVBAGLBSA-N 0 0 377.231 3.995 20 10 GHCDRN CSc1cc(NCc2ccc(N3CCC(CO)CC3)cc2)nc(SC)n1 ZINC000848645884 1057222257 /nfs/dbraw/zinc/22/22/57/1057222257.db2.gz BCHPZHHHHYBMPT-UHFFFAOYSA-N 0 0 390.578 3.741 20 10 GHCDRN CCC[C@@H](C)NC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S ZINC001355754330 1057268537 /nfs/dbraw/zinc/26/85/37/1057268537.db2.gz FCEUUYBHHWDXKT-PKVLTRFUSA-N 0 0 380.510 3.722 20 10 GHCDRN Cc1cc(CC(=O)Nc2ccccc2C(=O)N(C)C)c(C)n1-c1ccccc1 ZINC001355889724 1057306489 /nfs/dbraw/zinc/30/64/89/1057306489.db2.gz PWODTNJEWJSPNZ-UHFFFAOYSA-N 0 0 375.472 3.977 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc2c(c1)NC(=O)CS2 ZINC001356256406 1057449490 /nfs/dbraw/zinc/44/94/90/1057449490.db2.gz RPVOXXRLANIOGM-UHFFFAOYSA-N 0 0 381.501 3.603 20 10 GHCDRN CC/C(=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 ZINC001356445593 1057515191 /nfs/dbraw/zinc/51/51/91/1057515191.db2.gz KDJVSZDOSHHJKM-ISLYRVAYSA-N 0 0 380.488 3.846 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(OCc3ccccn3)cc2)cc1 ZINC001440666689 1058568993 /nfs/dbraw/zinc/56/89/93/1058568993.db2.gz OEVKTLAFOPGNCV-UHFFFAOYSA-N 0 0 375.472 3.999 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)C[C@H]2C(=O)Nc3ccc(F)cc32)C2CC2)cc1 ZINC001441129269 1058711975 /nfs/dbraw/zinc/71/19/75/1058711975.db2.gz JOTPNFLSOVZRAA-LJQANCHMSA-N 0 0 381.451 3.509 20 10 GHCDRN NC(=O)N=Nc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 ZINC001443542638 1059147513 /nfs/dbraw/zinc/14/75/13/1059147513.db2.gz UVARCZIIMFVWNI-UHFFFAOYSA-N 0 0 395.400 3.954 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCCc2ccc(O)cc2)c1 ZINC001444627592 1059352318 /nfs/dbraw/zinc/35/23/18/1059352318.db2.gz GUHGPYKQTWLVMP-UHFFFAOYSA-N 0 0 376.456 3.975 20 10 GHCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc2[nH]cnc21 ZINC001444988630 1059431415 /nfs/dbraw/zinc/43/14/15/1059431415.db2.gz QFXKZSQGMXMATE-ZDUSSCGKSA-N 0 0 386.402 3.563 20 10 GHCDRN COC[C@@H](NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1)c1ccc(C)o1 ZINC001445162726 1059470024 /nfs/dbraw/zinc/47/00/24/1059470024.db2.gz SEDIQHYUFRBJED-HXUWFJFHSA-N 0 0 380.444 3.926 20 10 GHCDRN Cc1cc(CC(=O)N2CCC[C@H]2[C@@H](O)C(F)(F)F)c(C)n1-c1ccccc1 ZINC001446531351 1059793138 /nfs/dbraw/zinc/79/31/38/1059793138.db2.gz UQNPIMBHWDGARF-PKOBYXMFSA-N 0 0 380.410 3.551 20 10 GHCDRN CCOC(=O)c1cc(C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)on1 ZINC001446795598 1059860954 /nfs/dbraw/zinc/86/09/54/1059860954.db2.gz AIZMHAHQNPXDIU-HNNXBMFYSA-N 0 0 394.427 3.961 20 10 GHCDRN CCN(CC)c1ccc(CN(C)c2nnc([C@H]3CCCCC(=O)N3)n2CC)cc1 ZINC001340393450 1059909360 /nfs/dbraw/zinc/90/93/60/1059909360.db2.gz WDOMEJGEZNTEKE-LJQANCHMSA-N 0 0 398.555 3.512 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@H](C)[C@@H](O)C2)c(C)n1-c1cccc(Br)c1 ZINC001447001237 1059917163 /nfs/dbraw/zinc/91/71/63/1059917163.db2.gz FKTFQDNAORYEJV-SGTLLEGYSA-N 0 0 391.309 3.700 20 10 GHCDRN Cc1cc(CC(=O)NC[Si](C)(C)c2ccccc2)c(C)n1-c1ccccc1 ZINC001447520071 1059976975 /nfs/dbraw/zinc/97/69/75/1059976975.db2.gz HGLDMGRGHUWNGK-UHFFFAOYSA-N 0 0 376.576 3.908 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@H](CO)Cc3cccc(C)c3)c2C)cc1 ZINC001447737990 1060016074 /nfs/dbraw/zinc/01/60/74/1060016074.db2.gz BIWFHWQJQBDCHC-FQEVSTJZSA-N 0 0 392.499 3.745 20 10 GHCDRN COc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)[nH]n2)c(OC)c1 ZINC001447969982 1060076174 /nfs/dbraw/zinc/07/61/74/1060076174.db2.gz LQKUKACBVMGDKE-AWEZNQCLSA-N 0 0 394.475 3.651 20 10 GHCDRN CCOC(=O)[C@@H](CC)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC001448446667 1060188156 /nfs/dbraw/zinc/18/81/56/1060188156.db2.gz CVMCFVXAWBGSMY-ZBFHGGJFSA-N 0 0 380.916 3.782 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3c3c(F)cccc3F)CC2)cc1 ZINC001340945431 1060273113 /nfs/dbraw/zinc/27/31/13/1060273113.db2.gz NCLKTUHXDBNVHW-MSOLQXFVSA-N 0 0 386.442 3.816 20 10 GHCDRN CCn1c(C2Sc3ncccc3C2=O)nnc1N(C)Cc1cccc(C)n1 ZINC001340987729 1060312828 /nfs/dbraw/zinc/31/28/28/1060312828.db2.gz VWXMMXFREKNHQV-UHFFFAOYSA-N 0 0 380.477 3.620 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccccc1COC1CCOCC1 ZINC001449116157 1060335460 /nfs/dbraw/zinc/33/54/60/1060335460.db2.gz FNSGWAXLUFDJJV-UHFFFAOYSA-N 0 0 390.476 3.504 20 10 GHCDRN CON(CC1CCOCC1)C(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001449418713 1060401875 /nfs/dbraw/zinc/40/18/75/1060401875.db2.gz WWECELXXEAAQRP-UHFFFAOYSA-N 0 0 384.476 3.645 20 10 GHCDRN CCOc1ccc(N2CCN(Cc3nnc(-c4ccc(C)cc4)o3)CC2)cc1 ZINC001341376138 1060624081 /nfs/dbraw/zinc/62/40/81/1060624081.db2.gz IRFXLUCVQAXTLT-UHFFFAOYSA-N 0 0 378.476 3.766 20 10 GHCDRN Cc1csc(NCCNC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)n1 ZINC001451054420 1060731294 /nfs/dbraw/zinc/73/12/94/1060731294.db2.gz OTMBXEONWLZEEW-UHFFFAOYSA-N 0 0 382.489 3.513 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC001546028702 1060744153 /nfs/dbraw/zinc/74/41/53/1060744153.db2.gz LMNFPPJWXALHBU-OAHLLOKOSA-N 0 0 385.508 3.985 20 10 GHCDRN Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)NCc1ccc(O)cc1O ZINC001451772409 1060832014 /nfs/dbraw/zinc/83/20/14/1060832014.db2.gz VQSGGTIDNAZHDB-UHFFFAOYSA-N 0 0 391.349 3.745 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1coc2ccc(Cl)cc21 ZINC001451918844 1060863905 /nfs/dbraw/zinc/86/39/05/1060863905.db2.gz QZMHICWOUAFOJE-UHFFFAOYSA-N 0 0 387.819 3.997 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)Cc1ccc(C2CCC2)cc1 ZINC001451925668 1060866294 /nfs/dbraw/zinc/86/62/94/1060866294.db2.gz XSNHBLRXEBPTOF-UHFFFAOYSA-N 0 0 381.472 3.794 20 10 GHCDRN Cc1cc(C(=O)N2CCn3c(nnc3C(C)(C)C)C2)c(C)n1-c1ccccc1C ZINC001453890366 1061222908 /nfs/dbraw/zinc/22/29/08/1061222908.db2.gz CQMAEWQVTWNEIB-UHFFFAOYSA-N 0 0 391.519 3.948 20 10 GHCDRN Cc1c(CO)cc([N+](=O)[O-])c(N2Cc3ccccc3C3(CCC3)C2)c1[N+](=O)[O-] ZINC001346127824 1061385582 /nfs/dbraw/zinc/38/55/82/1061385582.db2.gz LXXZQFQFUPXGHR-UHFFFAOYSA-N 0 0 383.404 3.746 20 10 GHCDRN Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCOC2)nnc1N(C)CC1CCCC1 ZINC001361098307 1061597601 /nfs/dbraw/zinc/59/76/01/1061597601.db2.gz QLRYKOGLIDJLMN-FQEVSTJZSA-N 0 0 397.567 3.831 20 10 GHCDRN COc1cccc([C@@H]2CN(C(=O)c3sccc3-n3c(C)ccc3C)CCN2)c1 ZINC001454468465 1061793838 /nfs/dbraw/zinc/79/38/38/1061793838.db2.gz IFGWETMMIOHMNG-IBGZPJMESA-N 0 0 395.528 3.951 20 10 GHCDRN Cc1cc(C(=O)NCc2cccnc2C)c(C)n1-c1ccc(Br)cn1 ZINC001454540290 1061824469 /nfs/dbraw/zinc/82/44/69/1061824469.db2.gz ZSVPXGNDDZZNBG-UHFFFAOYSA-N 0 0 399.292 3.885 20 10 GHCDRN Nc1ccc(CNC(=O)NC2(Cc3ccc(F)cc3Cl)CCOCC2)cc1 ZINC001346739822 1061841341 /nfs/dbraw/zinc/84/13/41/1061841341.db2.gz UZMMVTJALKTDRR-UHFFFAOYSA-N 0 0 391.874 3.652 20 10 GHCDRN Cc1cc(CNC(=O)[C@H](C)NC(=O)c2cccs2)c(C)n1-c1ccccc1 ZINC001454623062 1061883731 /nfs/dbraw/zinc/88/37/31/1061883731.db2.gz GAHIECVZCRHRDK-HNNXBMFYSA-N 0 0 381.501 3.590 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCCCCCNC(=O)CC3)c2C)cc1 ZINC001454620749 1061884190 /nfs/dbraw/zinc/88/41/90/1061884190.db2.gz WIBWSQOWSVUPCB-UHFFFAOYSA-N 0 0 397.519 3.625 20 10 GHCDRN O=C(Nc1c2nonc2ccc1Cl)c1cnc(Br)c(Cl)c1 ZINC001346939922 1061995252 /nfs/dbraw/zinc/99/52/52/1061995252.db2.gz CLZRWQYUIWJSOU-UHFFFAOYSA-N 0 0 388.008 3.939 20 10 GHCDRN O=C(CCCNC(=O)OCc1ccccc1)Nc1c2nonc2ccc1Cl ZINC001346941425 1061996325 /nfs/dbraw/zinc/99/63/25/1061996325.db2.gz SBRWGGFMLXKXCK-UHFFFAOYSA-N 0 0 388.811 3.521 20 10 GHCDRN COc1c(Br)ccc(F)c1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001434914319 1062103753 /nfs/dbraw/zinc/10/37/53/1062103753.db2.gz GQPMSAVEXZAEFG-UHFFFAOYSA-N 0 0 399.235 3.732 20 10 GHCDRN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)C3=S=CC=C3)cc2)nc1 ZINC001434996610 1062199887 /nfs/dbraw/zinc/19/98/87/1062199887.db2.gz OKXYNHDQZUSRLD-UHFFFAOYSA-N 0 0 379.485 3.848 20 10 GHCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(F)cc2)c1[O-] ZINC001347331881 1062302302 /nfs/dbraw/zinc/30/23/02/1062302302.db2.gz AAGYMTSSPOFPDW-MOPGFXCFSA-N 0 0 376.859 3.922 20 10 GHCDRN CC[S@@](C)(=O)=NC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C ZINC001456059778 1062455577 /nfs/dbraw/zinc/45/55/77/1062455577.db2.gz YXCHMWCVTKPMCC-JOCHJYFZSA-N 0 0 384.299 3.510 20 10 GHCDRN Cc1cc(C(=O)N2CC(N3CCCC3=O)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC001456299639 1062600887 /nfs/dbraw/zinc/60/08/87/1062600887.db2.gz OABYQAKUVWGOJK-UHFFFAOYSA-N 0 0 379.504 3.664 20 10 GHCDRN CN(C)c1ccc(CNC(=O)Cc2noc3ccc(Br)cc32)cc1 ZINC001348908704 1063391971 /nfs/dbraw/zinc/39/19/71/1063391971.db2.gz DOGASQZGHASHPX-UHFFFAOYSA-N 0 0 388.265 3.515 20 10 GHCDRN COCCOc1cc(OC)ccc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001349116697 1063556277 /nfs/dbraw/zinc/55/62/77/1063556277.db2.gz CYHXINIVBJHIKW-UHFFFAOYSA-N 0 0 398.503 3.593 20 10 GHCDRN Cc1cc(C(F)(F)F)nc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001349119966 1063557786 /nfs/dbraw/zinc/55/77/86/1063557786.db2.gz WEKWSNJOCAPAHQ-UHFFFAOYSA-N 0 0 378.398 3.676 20 10 GHCDRN Cc1ccc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c2ncccc12 ZINC001436625346 1063575567 /nfs/dbraw/zinc/57/55/67/1063575567.db2.gz ZPPVVLOGPMXNQF-UHFFFAOYSA-N 0 0 397.425 3.588 20 10 GHCDRN O=C(/C=C/c1ccc(Cl)cc1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001436637962 1063585641 /nfs/dbraw/zinc/58/56/41/1063585641.db2.gz LPRNSTNNELWVEC-ZZXKWVIFSA-N 0 0 392.833 3.784 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cccnc1N1CCCCC1 ZINC001436844522 1063671234 /nfs/dbraw/zinc/67/12/34/1063671234.db2.gz DBFHBSYSNPLWOH-SFHVURJKSA-N 0 0 380.536 3.807 20 10 GHCDRN COc1ccc(N(C)CCN(C)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC001458479434 1063836857 /nfs/dbraw/zinc/83/68/57/1063836857.db2.gz DNSFSWXZESHRGJ-UHFFFAOYSA-N 0 0 394.269 3.939 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])cc1 ZINC001437383591 1063840092 /nfs/dbraw/zinc/84/00/92/1063840092.db2.gz VBOIQVLHEHYIKV-UHFFFAOYSA-N 0 0 391.855 3.774 20 10 GHCDRN CCCNC(=O)CCCSc1ncc(-c2ccc3c(c2)OCCO3)n1CC ZINC001458857299 1063948721 /nfs/dbraw/zinc/94/87/21/1063948721.db2.gz POMPIIMMWRYIFX-UHFFFAOYSA-N 0 0 389.521 3.740 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1C(=O)Nc2c1cccc2F ZINC001350043939 1063972079 /nfs/dbraw/zinc/97/20/79/1063972079.db2.gz CGFSJNPWOJQNOU-SFHVURJKSA-N 0 0 383.467 3.755 20 10 GHCDRN COc1ccc(N2CCN(C(=O)C3(Cc4ccccc4F)CC3)CC2)c(OC)c1 ZINC001438186073 1064000764 /nfs/dbraw/zinc/00/07/64/1064000764.db2.gz OBZIVFNLVSJBJX-UHFFFAOYSA-N 0 0 398.478 3.514 20 10 GHCDRN COC(=O)c1cccn(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1=O ZINC001350164673 1064008021 /nfs/dbraw/zinc/00/80/21/1064008021.db2.gz UNVCQXWYQRCBQI-UHFFFAOYSA-N 0 0 390.399 3.689 20 10 GHCDRN C[C@H](NC(=O)c1cccc(C(=O)N2CCCCC2)c1)c1ccc(N(C)C)cc1 ZINC001459176799 1064014456 /nfs/dbraw/zinc/01/44/56/1064014456.db2.gz FMARNSVZLSIIBR-KRWDZBQOSA-N 0 0 379.504 3.870 20 10 GHCDRN CCN(CC)C(=O)CCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 ZINC001350440479 1064087680 /nfs/dbraw/zinc/08/76/80/1064087680.db2.gz SAWVSPVJTPGLBV-UHFFFAOYSA-N 0 0 394.537 3.779 20 10 GHCDRN COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001463801177 1064629385 /nfs/dbraw/zinc/62/93/85/1064629385.db2.gz XDCJKWUVXBIELI-CYBMUJFWSA-N 0 0 399.468 3.764 20 10 GHCDRN CC(=O)c1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1C ZINC000847219637 1064917363 /nfs/dbraw/zinc/91/73/63/1064917363.db2.gz UOVYYZOGPQPXEL-UHFFFAOYSA-N 0 0 381.476 3.698 20 10 GHCDRN Cc1cc(CNS(=O)(=O)c2c[nH]c(C(F)(F)F)c2)c(C)n1-c1ccccc1 ZINC001464231929 1064918407 /nfs/dbraw/zinc/91/84/07/1064918407.db2.gz ODCDPBJQAROVGS-UHFFFAOYSA-N 0 0 397.422 3.920 20 10 GHCDRN NC(=O)N=Nc1ccc(C(=O)NCc2cc(F)ccc2Br)cc1 ZINC001464318063 1064953576 /nfs/dbraw/zinc/95/35/76/1064953576.db2.gz CSOISJYDJZZTIZ-UHFFFAOYSA-N 0 0 379.189 3.681 20 10 GHCDRN Cc1cc(CC(=O)NCc2cccnc2-n2ccnc2C)c(C)n1-c1ccccc1 ZINC001464395002 1064986941 /nfs/dbraw/zinc/98/69/41/1064986941.db2.gz CTGALKMOPIDEAV-UHFFFAOYSA-N 0 0 399.498 3.842 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C[C@@H](c2nccn2C)C(F)(F)F)cc1 ZINC000847304551 1065016359 /nfs/dbraw/zinc/01/63/59/1065016359.db2.gz VEIRVOBTFOYVMA-KRWDZBQOSA-N 0 0 396.457 3.961 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)CCN(C(=O)OC(C)(C)C)C2CC2)cc1 ZINC000847304564 1065016411 /nfs/dbraw/zinc/01/64/11/1065016411.db2.gz VQZYNQGJRUKOCK-UHFFFAOYSA-N 0 0 375.513 3.501 20 10 GHCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(Cl)c2N)cc1 ZINC001464607335 1065108346 /nfs/dbraw/zinc/10/83/46/1065108346.db2.gz SRUXFAKDTKHZTH-KRWDZBQOSA-N 0 0 387.911 3.810 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N3Cc4cc(F)c(F)cc4C3)C2)cc1 ZINC000847386554 1065193117 /nfs/dbraw/zinc/19/31/17/1065193117.db2.gz FFJNNHLANYSHQZ-AWEZNQCLSA-N 0 0 387.430 3.525 20 10 GHCDRN C/C(=C\c1ccncc1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000847408231 1065235619 /nfs/dbraw/zinc/23/56/19/1065235619.db2.gz ULDZCYUXLLSVKQ-LXKWBGADSA-N 0 0 379.504 3.759 20 10 GHCDRN CN1CCN(C(=O)/C=C\[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c2ccccc21 ZINC001464842221 1065239537 /nfs/dbraw/zinc/23/95/37/1065239537.db2.gz ZFCCGYFZMMFKPY-WFTPILKQSA-N 0 0 385.508 3.673 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)[C@@](C)(O)CCc3ccccc3)cc2)CC1 ZINC001464963723 1065293561 /nfs/dbraw/zinc/29/35/61/1065293561.db2.gz YNLMMBVBUBJNNP-DEOSSOPVSA-N 0 0 380.532 3.923 20 10 GHCDRN CC(C)CNC(=O)c1ccc(NC(=O)NCc2cccc(Cl)c2O)cc1 ZINC001465297161 1065530859 /nfs/dbraw/zinc/53/08/59/1065530859.db2.gz OPOSJAOWFLKEPI-UHFFFAOYSA-N 0 0 375.856 3.753 20 10 GHCDRN CC(C)CCNC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC001353196005 1065755135 /nfs/dbraw/zinc/75/51/35/1065755135.db2.gz JDIKXGSENKMLIE-PTNGSMBKSA-N 0 0 380.510 3.579 20 10 GHCDRN CC[C@H](CNC(=O)Cc1ccc(O)c(O)c1)Oc1ccccc1C(F)(F)F ZINC001465657097 1065774337 /nfs/dbraw/zinc/77/43/37/1065774337.db2.gz UTYUUORBYJBRNG-CYBMUJFWSA-N 0 0 383.366 3.633 20 10 GHCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]C1CCSCC1 ZINC001200280546 1065798510 /nfs/dbraw/zinc/79/85/10/1065798510.db2.gz BZLKYLYGMHCPMJ-UHFFFAOYSA-N 0 0 381.133 3.902 20 10 GHCDRN Cc1cc(C(=O)N[C@H](C)[C@H]2CN(C)CCO2)c(C)n1-c1ccc(C(C)C)cc1 ZINC001465882055 1065909074 /nfs/dbraw/zinc/90/90/74/1065909074.db2.gz CICCSSOPWHLGBG-VGOFRKELSA-N 0 0 383.536 3.666 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccc(OC(F)F)cc3F)CC2)cc1F ZINC001465931256 1065927795 /nfs/dbraw/zinc/92/77/95/1065927795.db2.gz DBKMTLJYZPFBLO-UHFFFAOYSA-N 0 0 398.356 3.537 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(O[C@@H](C)C(F)(F)F)nc2C)c1 ZINC001465993969 1065949395 /nfs/dbraw/zinc/94/93/95/1065949395.db2.gz ZYMXFXRVFDYVER-NEPJUHHUSA-N 0 0 398.381 3.925 20 10 GHCDRN COc1ccc(CNC(=S)Nc2ccccc2C(=O)c2ccncc2)cc1 ZINC001200360892 1065986527 /nfs/dbraw/zinc/98/65/27/1065986527.db2.gz KTRFQPQMOOXWRC-UHFFFAOYSA-N 0 0 377.469 3.808 20 10 GHCDRN Cc1cc(N(C)C)cc(C)c1CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001466290235 1066076314 /nfs/dbraw/zinc/07/63/14/1066076314.db2.gz UIQFVTPPHBJVOZ-OAQYLSRUSA-N 0 0 396.531 3.825 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)Nc2ccc(N(C)C)cn2)CCCC1 ZINC001353675985 1066128258 /nfs/dbraw/zinc/12/82/58/1066128258.db2.gz QOTWMEBRBVMQQG-UHFFFAOYSA-N 0 0 378.476 3.628 20 10 GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc2nc(C)ccc2c1 ZINC001466397964 1066131897 /nfs/dbraw/zinc/13/18/97/1066131897.db2.gz FXAJCPCIQQXSFO-UHFFFAOYSA-N 0 0 398.846 3.718 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3ccc4c(ccnc4OC)c3)CC2)cc1 ZINC001466599169 1066205970 /nfs/dbraw/zinc/20/59/70/1066205970.db2.gz HHBQZJGGLSRNKE-UHFFFAOYSA-N 0 0 392.459 3.606 20 10 GHCDRN CN1C(=O)C[C@H](C(=O)NCc2cc(Cl)ccc2O)[C@H]1c1cccc(Cl)c1 ZINC001300396214 1066210852 /nfs/dbraw/zinc/21/08/52/1066210852.db2.gz LRFXJVCKEHDUAV-MAUKXSAKSA-N 0 0 393.270 3.535 20 10 GHCDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC001300415313 1066271349 /nfs/dbraw/zinc/27/13/49/1066271349.db2.gz FAXZNQDLEOVCSS-OWNNVSBGSA-N 0 0 382.243 3.610 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3cc4cc(N)ccc4s3)CC2)cc1 ZINC001357391957 1067078797 /nfs/dbraw/zinc/07/87/97/1067078797.db2.gz PKRCCWSFMODZQA-UHFFFAOYSA-N 0 0 381.501 3.891 20 10 GHCDRN CCn1c(C2Sc3ncccc3C2=O)nnc1N1CCC(F)(F)C[C@H]1C ZINC001357516145 1067141503 /nfs/dbraw/zinc/14/15/03/1067141503.db2.gz GVENHPLDGYSPIM-SNVBAGLBSA-N 0 0 379.436 3.904 20 10 GHCDRN COc1cccc(CNC(=O)Nc2cc(N(C)C)cc(C(F)(F)F)c2)c1O ZINC001467340403 1067237406 /nfs/dbraw/zinc/23/74/06/1067237406.db2.gz LFEKDHGBQFDFNA-UHFFFAOYSA-N 0 0 383.370 3.807 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3ccnc(-c4ccccc4)n3)CC2)cc1 ZINC001357810836 1067286602 /nfs/dbraw/zinc/28/66/02/1067286602.db2.gz DODWHKYWLZCOSK-UHFFFAOYSA-N 0 0 388.471 3.505 20 10 GHCDRN CC(C)OC(=O)CCCNC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC001477647085 1078505983 /nfs/dbraw/zinc/50/59/83/1078505983.db2.gz PIJIRTGAFSGEDZ-UHFFFAOYSA-N 0 0 389.540 3.987 20 10 GHCDRN CC[C@@H](C)CCNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC001467792787 1067471444 /nfs/dbraw/zinc/47/14/44/1067471444.db2.gz GFIGIQKNOKCUCB-CQSZACIVSA-N 0 0 387.446 3.777 20 10 GHCDRN O=C(NCCc1cc(Cl)c2c(c1)OCCO2)NCc1cc(Cl)ccc1O ZINC001467819752 1067481747 /nfs/dbraw/zinc/48/17/47/1067481747.db2.gz LQWYHIHWLYRVSG-UHFFFAOYSA-N 0 0 397.258 3.512 20 10 GHCDRN CCC[C@@H]1CCCC[C@H]1NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001477781351 1078563516 /nfs/dbraw/zinc/56/35/16/1078563516.db2.gz JWKDPAIHCSISNR-VQIMIIECSA-N 0 0 395.494 3.960 20 10 GHCDRN CN1CCCc2cc(CNC(=O)NCCc3ccc(F)cc3Cl)ccc21 ZINC001468319660 1067683438 /nfs/dbraw/zinc/68/34/38/1067683438.db2.gz VKNZIDNGYUGAPK-UHFFFAOYSA-N 0 0 375.875 3.903 20 10 GHCDRN CN(C)c1ccc(CNC(=O)NCCc2ccccc2OC(F)(F)F)cc1F ZINC001468350497 1067697990 /nfs/dbraw/zinc/69/79/90/1067697990.db2.gz ZERZTVRTQPAAOH-UHFFFAOYSA-N 0 0 399.388 3.832 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NC[C@H]2c3ccccc3CN2C)cc1F ZINC001477847797 1078592004 /nfs/dbraw/zinc/59/20/04/1078592004.db2.gz NJKRDEZYKNIQDE-NRFANRHFSA-N 0 0 384.499 3.658 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CN3C(=O)N[C@@](C)(CCF)C3=O)cc2Cl)C1 ZINC000849358201 1067820749 /nfs/dbraw/zinc/82/07/49/1067820749.db2.gz XCIGIAWXYXOVID-DJJJIMSYSA-N 0 0 381.879 3.746 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)NCCCOc3ccccc3C)C2)cc1 ZINC001468705631 1067839875 /nfs/dbraw/zinc/83/98/75/1067839875.db2.gz MYDFGPFJLRIBAB-IBGZPJMESA-N 0 0 397.519 3.598 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N[C@H](Cc3ccccc3)C3CC3)C2)cc1 ZINC001477884112 1078611038 /nfs/dbraw/zinc/61/10/38/1078611038.db2.gz SPYUSCHTGOOLLE-AUSIDOKSSA-N 0 0 393.531 3.842 20 10 GHCDRN C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)c1ccccc1O ZINC001468883913 1067917993 /nfs/dbraw/zinc/91/79/93/1067917993.db2.gz IISLCBFBMOKJNH-ZMSDIMECSA-N 0 0 391.512 3.836 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@H](C)Oc1ccccc1F ZINC001469030488 1067957518 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382.451 3.796 20 10 GHCDRN COc1ccc(O)c(CNc2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC001474512405 1074441735 /nfs/dbraw/zinc/44/17/35/1074441735.db2.gz IXQSVJHQYXKGDX-UHFFFAOYSA-N 0 0 390.505 3.578 20 10 GHCDRN CN(C)c1cc(F)c(CN2Cc3ccccc3OC3(CCOCC3)C2)cc1F ZINC001474707447 1074527079 /nfs/dbraw/zinc/52/70/79/1074527079.db2.gz WNJKBSPKFOOQOU-UHFFFAOYSA-N 0 0 388.458 3.975 20 10 GHCDRN CC(C)c1nnc(N2CCO[C@@H](C)C2)n1Cc1ccc(N2CCC(C)CC2)cc1 ZINC001493873045 1079304718 /nfs/dbraw/zinc/30/47/18/1079304718.db2.gz JFYXLHWTEZPCQT-IBGZPJMESA-N 0 0 397.567 3.911 20 10 GHCDRN Cc1nc(-c2ccc(S(=O)(=O)N3Cc4cccc(O)c4C3)s2)cs1 ZINC001475608361 1074925925 /nfs/dbraw/zinc/92/59/25/1074925925.db2.gz KLBXNRQEDLOKHL-UHFFFAOYSA-N 0 0 378.500 3.590 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2cnc(-c3ccccc3)nc2)cc1 ZINC001476004047 1075067526 /nfs/dbraw/zinc/06/75/26/1075067526.db2.gz XSZZPTFHOQYHIY-UHFFFAOYSA-N 0 0 391.475 3.752 20 10 GHCDRN C[C@@H](NC(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F)c1ccccc1O ZINC001476004868 1075067537 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COc1cc(O)c([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1OC ZINC000768265284 873197671 /nfs/dbraw/zinc/19/76/71/873197671.db2.gz BLYQFXRCNQULDN-MRXNPFEDSA-N 0 0 382.338 3.538 20 10 GHCDRN O=C1c2ccccc2N[C@H](c2cc(Cl)cc(F)c2O)N1C[C@H]1CCCO1 ZINC000768266928 873197782 /nfs/dbraw/zinc/19/77/82/873197782.db2.gz XEJOAWLAHPPYFZ-XIKOKIGWSA-N 0 0 376.815 3.930 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)cc1F ZINC000768298844 873217304 /nfs/dbraw/zinc/21/73/04/873217304.db2.gz ACKIYRCHJQWBNS-LJQANCHMSA-N 0 0 391.874 3.828 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(C(=O)NC(C)C)cc1C ZINC000115761512 882704312 /nfs/dbraw/zinc/70/43/12/882704312.db2.gz YEPPSLMOLKDUBB-UHFFFAOYSA-N 0 0 382.508 3.829 20 10 GHCDRN Oc1cc2c(cc1CN1CCCc3cc(Br)cc(F)c31)[C@@H](O)CO2 ZINC000768452004 873311029 /nfs/dbraw/zinc/31/10/29/873311029.db2.gz MYDKUXWYPMWCDT-INIZCTEOSA-N 0 0 394.240 3.672 20 10 GHCDRN COc1ccc(O)c(C[N@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)c1 ZINC000768526512 873359653 /nfs/dbraw/zinc/35/96/53/873359653.db2.gz OJSIRWINUSDRFU-UHFFFAOYSA-N 0 0 386.492 3.928 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000768650207 873467725 /nfs/dbraw/zinc/46/77/25/873467725.db2.gz BLZXRHIPFRHHEF-FNORWQNLSA-N 0 0 393.270 3.767 20 10 GHCDRN COc1ccc(CNC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)c(O)c1 ZINC000794377929 882736804 /nfs/dbraw/zinc/73/68/04/882736804.db2.gz ANAUCWZYHXOUIL-UHFFFAOYSA-N 0 0 394.402 3.722 20 10 GHCDRN Oc1ccc([C@@H](O)CNC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1O ZINC001197029656 873552564 /nfs/dbraw/zinc/55/25/64/873552564.db2.gz ULICFMJDXSCCMC-FQEVSTJZSA-N 0 0 396.468 3.910 20 10 GHCDRN COc1c(Br)ccc(F)c1C(=O)NCc1c(C)cc(C)cc1O ZINC001197085529 873560435 /nfs/dbraw/zinc/56/04/35/873560435.db2.gz YXZUKPVOPKKOBG-UHFFFAOYSA-N 0 0 382.229 3.849 20 10 GHCDRN CSc1cccc(-n2c(C)cc(C(=O)Cn3cnc4c(c3=O)CCC4)c2C)c1 ZINC000768809229 873566230 /nfs/dbraw/zinc/56/62/30/873566230.db2.gz HJWMLAQSXXNWHL-UHFFFAOYSA-N 0 0 393.512 3.744 20 10 GHCDRN COc1ccc(N2C(=O)/C(=C/c3cc(F)c(F)c(F)c3)SC2=S)cn1 ZINC000102792114 873588202 /nfs/dbraw/zinc/58/82/02/873588202.db2.gz LNDOYRDMWQAWFX-SDQBBNPISA-N 0 0 382.388 3.913 20 10 GHCDRN COc1ccc(CNC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)c(O)c1 ZINC000794379299 882739268 /nfs/dbraw/zinc/73/92/68/882739268.db2.gz KYJZRFIJJQRNQC-LLVKDONJSA-N 0 0 396.256 3.797 20 10 GHCDRN CC(C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197186268 873620778 /nfs/dbraw/zinc/62/07/78/873620778.db2.gz AZOHFAUMYXJOHU-YISVQYQQSA-N 0 0 375.450 3.720 20 10 GHCDRN C[C@@]1(CO)CC(F)(F)CN1S(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197160441 873630259 /nfs/dbraw/zinc/63/02/59/873630259.db2.gz AYSXTWRXOIBAKX-SIUCFOQUSA-N 0 0 395.431 3.883 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1ncn(Cc2ccccc2)n1 ZINC001197194979 873645534 /nfs/dbraw/zinc/64/55/34/873645534.db2.gz APEVXDJKHHAULJ-HXUWFJFHSA-N 0 0 390.487 3.702 20 10 GHCDRN COc1ccc(CNC(=O)c2c[nH]c3ccc(Br)cc32)c(O)c1 ZINC000794387142 882745125 /nfs/dbraw/zinc/74/51/25/882745125.db2.gz FSEGYMAAISDHPX-UHFFFAOYSA-N 0 0 375.222 3.575 20 10 GHCDRN COc1ccc(CNC(=O)CCCc2cccc(Br)c2)c(O)c1 ZINC000794391636 882747609 /nfs/dbraw/zinc/74/76/09/882747609.db2.gz ZLQQGIACOXPZSQ-UHFFFAOYSA-N 0 0 378.266 3.802 20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc4c(c3)COC4)cc2F)C[C@H](C)O1 ZINC000768919741 873688932 /nfs/dbraw/zinc/68/89/32/873688932.db2.gz BVSLBNZDBKXZCX-GJZGRUSLSA-N 0 0 399.466 3.791 20 10 GHCDRN CC1(NC(=O)NCc2ccc(N3CCSCC3)cc2)Cc2ccccc2C1 ZINC000768928032 873697262 /nfs/dbraw/zinc/69/72/62/873697262.db2.gz ZNKMPXVHRXCYPR-UHFFFAOYSA-N 0 0 381.545 3.597 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3CCCC(F)(F)C3)cc2F)C[C@H](C)O1 ZINC000769032971 873753620 /nfs/dbraw/zinc/75/36/20/873753620.db2.gz IHFSDOMSSUEZCT-LZWOXQAQSA-N 0 0 399.457 3.816 20 10 GHCDRN COc1ccc(N2CCCN(Cc3c(C(C)C)nc4sc(C)nn34)CC2)cc1 ZINC000768997511 873762746 /nfs/dbraw/zinc/76/27/46/873762746.db2.gz GARFKGNPFFXSSS-UHFFFAOYSA-N 0 0 399.564 3.944 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2cccc(-n3ccnn3)c2)cc1F ZINC000769018067 873779192 /nfs/dbraw/zinc/77/91/92/873779192.db2.gz XTWPXJFVCSOGLU-UHFFFAOYSA-N 0 0 382.443 3.574 20 10 GHCDRN Fc1cc(F)c(F)c(NC(=S)NCc2cccc(Br)n2)c1F ZINC001197413430 873798093 /nfs/dbraw/zinc/79/80/93/873798093.db2.gz TZVWMGGCTBCBRX-UHFFFAOYSA-N 0 0 394.191 3.887 20 10 GHCDRN CCNc1nc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cs1 ZINC000769147791 873840556 /nfs/dbraw/zinc/84/05/56/873840556.db2.gz PYZJXCKEVLGDHH-LBPRGKRZSA-N 0 0 396.463 3.575 20 10 GHCDRN O=C(c1ccc(F)cc1Cl)N1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000769148789 873847823 /nfs/dbraw/zinc/84/78/23/873847823.db2.gz RZRBARUWOWAIGU-UHFFFAOYSA-N 0 0 383.250 3.796 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C ZINC000769208050 873891826 /nfs/dbraw/zinc/89/18/26/873891826.db2.gz BYXBZIXMVZYADE-QGZVFWFLSA-N 0 0 377.529 3.617 20 10 GHCDRN CN(C)c1ccc(CN2CCN(C(=O)CCCc3ccccc3)CC2)cc1F ZINC000769232202 873909311 /nfs/dbraw/zinc/90/93/11/873909311.db2.gz IWYRHEVEBMLPCU-UHFFFAOYSA-N 0 0 383.511 3.559 20 10 GHCDRN Oc1ccc(-c2ccccc2)cc1CN1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000769238754 873913310 /nfs/dbraw/zinc/91/33/10/873913310.db2.gz DLPGMGZDVATSHB-FQEVSTJZSA-N 0 0 377.444 3.893 20 10 GHCDRN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000775779384 873939414 /nfs/dbraw/zinc/93/94/14/873939414.db2.gz ZHXPRCDSTAXKIZ-VFNWGFHPSA-N 0 0 385.483 3.784 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000769279812 873940197 /nfs/dbraw/zinc/94/01/97/873940197.db2.gz AKGLBOJTDUSVOK-LJQANCHMSA-N 0 0 382.460 3.542 20 10 GHCDRN O=C(NCc1ccccc1O)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000769363077 874000828 /nfs/dbraw/zinc/00/08/28/874000828.db2.gz NLXVIXLQALSBCN-GOSISDBHSA-N 0 0 389.293 3.608 20 10 GHCDRN CCOc1ccc(CN(CC(=O)OC)Cc2cc(Cl)ccc2O)cc1OC ZINC000769380339 874008401 /nfs/dbraw/zinc/00/84/01/874008401.db2.gz UIGNNZOVIQWCHG-UHFFFAOYSA-N 0 0 393.867 3.628 20 10 GHCDRN COc1cccc(O)c1CN1CCN(C(=O)c2sc3ccccc3c2C)CC1 ZINC000769480672 874062210 /nfs/dbraw/zinc/06/22/10/874062210.db2.gz OISQRRCYFAMYND-UHFFFAOYSA-N 0 0 396.512 3.882 20 10 GHCDRN CCN(CC)c1ccc(CN2CCCN(c3nc(C)ns3)CC2)cc1F ZINC000769505347 874114222 /nfs/dbraw/zinc/11/42/22/874114222.db2.gz HLWBBMVIWJGZMQ-UHFFFAOYSA-N 0 0 377.533 3.544 20 10 GHCDRN CCOC(=O)c1cccc(CNC(=S)Nc2ccccc2OC(F)(F)F)n1 ZINC001198180656 874265263 /nfs/dbraw/zinc/26/52/63/874265263.db2.gz GEVLLCJOPIPFJK-UHFFFAOYSA-N 0 0 399.394 3.644 20 10 GHCDRN O=C1CCCN1c1cccc(C[NH2+]Cc2c(O)cccc2Br)c1 ZINC000858097583 882841696 /nfs/dbraw/zinc/84/16/96/882841696.db2.gz RPWMJOJUQVOHII-UHFFFAOYSA-N 0 0 375.266 3.571 20 10 GHCDRN O=S1(=O)CCN(Cc2ccc(N3CCCCC3)cc2)CC12CCCCC2 ZINC000770302583 874585851 /nfs/dbraw/zinc/58/58/51/874585851.db2.gz QIFKLKAHGNMBCO-UHFFFAOYSA-N 0 0 376.566 3.610 20 10 GHCDRN O=C(Nc1ccc(NCc2c(O)cccc2Br)cc1)[C@@H]1CCCO1 ZINC000858102548 882848973 /nfs/dbraw/zinc/84/89/73/882848973.db2.gz BBBHYBZGVOTBTP-KRWDZBQOSA-N 0 0 391.265 3.884 20 10 GHCDRN COc1ccc(CNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)nc1 ZINC000770418017 874657968 /nfs/dbraw/zinc/65/79/68/874657968.db2.gz BBHRGBAHGDQTIY-UHFFFAOYSA-N 0 0 382.508 3.859 20 10 GHCDRN CN(C)c1ccc(CN(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)cc1F ZINC000770388021 874672010 /nfs/dbraw/zinc/67/20/10/874672010.db2.gz SLFGJTSFLREZIE-QGZVFWFLSA-N 0 0 382.888 3.506 20 10 GHCDRN Cc1cc(C(=O)NCc2ccc([C@@H](C)O)c(C)n2)c(C)n1-c1ccc(F)cc1 ZINC000770448115 874689011 /nfs/dbraw/zinc/68/90/11/874689011.db2.gz FWGLZKWARKKYRH-MRXNPFEDSA-N 0 0 381.451 3.920 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@H]2COC(=O)NC2CC2)cc1 ZINC001129482612 882853205 /nfs/dbraw/zinc/85/32/05/882853205.db2.gz SXSMWESFDAEVOK-NRFANRHFSA-N 0 0 395.503 3.977 20 10 GHCDRN Cc1cc(NC(=O)N2CCOc3cc(N(C)C)ccc32)n(Cc2ccccc2)n1 ZINC000541997332 874728989 /nfs/dbraw/zinc/72/89/89/874728989.db2.gz ZOVJMYYXESBHFK-UHFFFAOYSA-N 0 0 391.475 3.737 20 10 GHCDRN Cn1c2cc(NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)ccc2oc1=O ZINC000770557071 874737402 /nfs/dbraw/zinc/73/74/02/874737402.db2.gz FYUOTLLPOOZYBZ-UHFFFAOYSA-N 0 0 382.420 3.642 20 10 GHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc3nsnc3c2)cc1 ZINC000770525791 874745284 /nfs/dbraw/zinc/74/52/84/874745284.db2.gz SZZITCVBHBUDAU-UHFFFAOYSA-N 0 0 394.422 3.962 20 10 GHCDRN COc1cc(OC)c(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1Cl ZINC000542005284 874748390 /nfs/dbraw/zinc/74/83/90/874748390.db2.gz YBENZBIBTNWFCD-UHFFFAOYSA-N 0 0 391.855 3.854 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1cnc(OC2CCC2)cn1 ZINC001199150809 874813719 /nfs/dbraw/zinc/81/37/19/874813719.db2.gz UUUWXOXHEROWGF-HXUWFJFHSA-N 0 0 381.476 3.784 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC001199137721 874817536 /nfs/dbraw/zinc/81/75/36/874817536.db2.gz XZVZUPORABXOGQ-UHFFFAOYSA-N 0 0 393.672 3.679 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000745827803 874820931 /nfs/dbraw/zinc/82/09/31/874820931.db2.gz LAQYQNDUXFYFTI-HRAATJIYSA-N 0 0 385.483 3.872 20 10 GHCDRN COc1ccc(N2CCN(C(=O)[C@H]3[C@@H]4c5cccc(Cl)c5C[C@H]34)CC2)cc1 ZINC000858129013 882866658 /nfs/dbraw/zinc/86/66/58/882866658.db2.gz IZCQSBMSRFDVPR-CEWLAPEOSA-N 0 0 382.891 3.583 20 10 GHCDRN CCOC(=O)N1CCC([NH2+]Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001199151718 874828908 /nfs/dbraw/zinc/82/89/08/874828908.db2.gz ABDKGYDLDUXXQH-UHFFFAOYSA-N 0 0 391.693 3.519 20 10 GHCDRN COc1ccc(-n2nc(C(=O)NCc3c(O)ccc4c3CCCC4)cc2C)cc1 ZINC000770795839 874875509 /nfs/dbraw/zinc/87/55/09/874875509.db2.gz AZYMBXDOFBNLMC-UHFFFAOYSA-N 0 0 391.471 3.704 20 10 GHCDRN CCc1nc(-c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc2)n[nH]1 ZINC000770802593 874877142 /nfs/dbraw/zinc/87/71/42/874877142.db2.gz PBAPTWGUIUQLGE-UHFFFAOYSA-N 0 0 389.503 3.905 20 10 GHCDRN CCOCCCC[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC001199412541 874975418 /nfs/dbraw/zinc/97/54/18/874975418.db2.gz IYGGOTRIFMZQIZ-UHFFFAOYSA-N 0 0 381.108 3.824 20 10 GHCDRN COCC[S@@](=O)Cc1cccc(NCc2cc(F)c(N(C)C)cc2F)c1 ZINC000858152433 882890693 /nfs/dbraw/zinc/89/06/93/882890693.db2.gz QFXXSKYOXYOYRB-AREMUKBSSA-N 0 0 382.476 3.538 20 10 GHCDRN C/C=C\C[C@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000858155088 882892669 /nfs/dbraw/zinc/89/26/69/882892669.db2.gz ZXHPEPALHRRGGN-KYVUIXNKSA-N 0 0 375.488 3.550 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=S)Nc1ccc2c(c1)OCCO2 ZINC001199673167 875114904 /nfs/dbraw/zinc/11/49/04/875114904.db2.gz UOVOOFQWARHWQO-UHFFFAOYSA-N 0 0 383.517 3.887 20 10 GHCDRN O=C(NCc1ccco1)c1cccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])c1 ZINC000776024793 875183259 /nfs/dbraw/zinc/18/32/59/875183259.db2.gz VVJVXVGJMQBFDC-UHFFFAOYSA-N 0 0 388.826 3.998 20 10 GHCDRN CC(C)(C)c1ccccc1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000771292465 875195915 /nfs/dbraw/zinc/19/59/15/875195915.db2.gz BDZFLKNLANLXAE-SFHVURJKSA-N 0 0 393.531 3.616 20 10 GHCDRN CC(C)[C@H](O)C1(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000776062104 875293060 /nfs/dbraw/zinc/29/30/60/875293060.db2.gz BYPUHSBGRJYTIF-IBGZPJMESA-N 0 0 394.475 3.954 20 10 GHCDRN CC(C)c1n[nH]c(C(=O)N(Cc2ccco2)Cc2ccccc2O)c1[N+](=O)[O-] ZINC000771577475 875325134 /nfs/dbraw/zinc/32/51/34/875325134.db2.gz AYZCQZMJWLUAHF-UHFFFAOYSA-N 0 0 384.392 3.583 20 10 GHCDRN Cc1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)nn1C1CCOCC1 ZINC000858202223 882935985 /nfs/dbraw/zinc/93/59/85/882935985.db2.gz PHKIBSCYURIURJ-UHFFFAOYSA-N 0 0 396.535 3.806 20 10 GHCDRN CSc1ccc(/C=C/C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000858201009 882933822 /nfs/dbraw/zinc/93/38/22/882933822.db2.gz GKZUOVQZSQFIFE-VQHVLOKHSA-N 0 0 388.558 3.978 20 10 GHCDRN CCc1nc2cc(N3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)ccc2o1 ZINC000771898944 875540976 /nfs/dbraw/zinc/54/09/76/875540976.db2.gz IFOAQDXJQMODPK-UHFFFAOYSA-N 0 0 385.807 3.718 20 10 GHCDRN C[C@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1nc(Cc2ccccc2)no1 ZINC000776160473 875663343 /nfs/dbraw/zinc/66/33/43/875663343.db2.gz QKPLGRSDXWSDCM-HOTGVXAUSA-N 0 0 393.491 3.848 20 10 GHCDRN CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000776175356 875693311 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COc1cccc(OC)c1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000772722519 878186044 /nfs/dbraw/zinc/18/60/44/878186044.db2.gz NSIJRDBJHYORBI-UHFFFAOYSA-N 0 0 391.489 3.543 20 10 GHCDRN O=C(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2cc(F)ccc2O)CC1 ZINC000179932113 878215001 /nfs/dbraw/zinc/21/50/01/878215001.db2.gz QTGMRRPVOIQLKW-UHFFFAOYSA-N 0 0 382.357 3.508 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000852303253 878218947 /nfs/dbraw/zinc/21/89/47/878218947.db2.gz WRLZKCCAWOSOCM-IYARVYRRSA-N 0 0 397.494 3.532 20 10 GHCDRN CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)NCCc1ccc(O)c(O)c1 ZINC000179946127 878254328 /nfs/dbraw/zinc/25/43/28/878254328.db2.gz YYDFFGASFCCLRS-UHFFFAOYSA-N 0 0 384.476 3.642 20 10 GHCDRN Cc1cc(N(Cc2ccccc2O)C[C@H]2CCCO2)nc(-c2ccncc2)n1 ZINC000179947224 878256100 /nfs/dbraw/zinc/25/61/00/878256100.db2.gz JGSPGPFXCTYVJS-LJQANCHMSA-N 0 0 376.460 3.738 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CCC[C@H](C2CCC2)C1 ZINC000852379840 878287762 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3.743 20 10 GHCDRN CC(C)[C@H](c1ccccc1)N(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788937907 878484806 /nfs/dbraw/zinc/48/48/06/878484806.db2.gz OJLZOQSHKPEMMF-JOCHJYFZSA-N 0 0 393.531 3.759 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[C@H]2c2ccsc2)cc1 ZINC000788977945 878524744 /nfs/dbraw/zinc/52/47/44/878524744.db2.gz OPEXNIANYHGOJN-IBGZPJMESA-N 0 0 385.533 3.574 20 10 GHCDRN CC(C)(CNC(=O)NCc1cccc(Br)c1O)CC(F)(F)F ZINC000852724887 878550772 /nfs/dbraw/zinc/55/07/72/878550772.db2.gz PRYDSWITVZSKKK-UHFFFAOYSA-N 0 0 383.208 3.933 20 10 GHCDRN CCCOc1ccc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000068479990 878610574 /nfs/dbraw/zinc/61/05/74/878610574.db2.gz QBXCBMUQMPJHAE-SFHVURJKSA-N 0 0 397.519 3.872 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)c1sc2c(c1Br)CNC2 ZINC000852800163 878611595 /nfs/dbraw/zinc/61/15/95/878611595.db2.gz LNFNYUIVNYQBHO-UHFFFAOYSA-N 0 0 395.322 3.872 20 10 GHCDRN COc1cccc(CNC(=O)[C@@H](C)Oc2ccc(C)cc2Br)c1O ZINC000068489315 878631855 /nfs/dbraw/zinc/63/18/55/878631855.db2.gz 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COC(=O)CN(Cc1cccc(Br)c1)Cc1cccc(C)c1O ZINC000789594347 879102545 /nfs/dbraw/zinc/10/25/45/879102545.db2.gz KYAIMVNJXANWOQ-UHFFFAOYSA-N 0 0 378.266 3.638 20 10 GHCDRN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180652640 879103369 /nfs/dbraw/zinc/10/33/69/879103369.db2.gz SETMHYBZJJNZKG-ZGWZEZEDSA-N 0 0 394.471 3.868 20 10 GHCDRN Cc1oc2c(ccc([O-])c2C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)c(=O)c1-c1ccccc1 ZINC000853567727 879123974 /nfs/dbraw/zinc/12/39/74/879123974.db2.gz XAECQUVZLNFUMQ-MZNJEOGPSA-N 0 0 391.467 3.942 20 10 GHCDRN CCCCN(Cc1ccccc1O)c1ccc2c(c1)S(=O)(=O)N=C2Cl ZINC000853576753 879135156 /nfs/dbraw/zinc/13/51/56/879135156.db2.gz FJEGIPKCIGMFNR-UHFFFAOYSA-N 0 0 378.881 3.887 20 10 GHCDRN Oc1cc2c(cc1CN1CC[C@@H]1c1ccc(Br)cc1)[C@H](O)CO2 ZINC000853602773 879158674 /nfs/dbraw/zinc/15/86/74/879158674.db2.gz RMCSYQQWQKSGCT-NVXWUHKLSA-N 0 0 376.250 3.528 20 10 GHCDRN C[C@@H]1CN(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)cc2F)C[C@H](C)O1 ZINC000180668325 879170216 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C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761580020 879329736 /nfs/dbraw/zinc/32/97/36/879329736.db2.gz QYSMRDLGAQUUNJ-ZDUSSCGKSA-N 0 0 387.867 3.637 20 10 GHCDRN CC(C)(CO)[C@@H](NC(=O)NCCCSc1nccs1)c1cccs1 ZINC000853856382 879334738 /nfs/dbraw/zinc/33/47/38/879334738.db2.gz YMUVZFRNASGRQZ-ZDUSSCGKSA-N 0 0 385.580 3.746 20 10 GHCDRN O=C(NCCCSc1nccs1)N1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000853856034 879334847 /nfs/dbraw/zinc/33/48/47/879334847.db2.gz OWLCJIOXOBUMSD-OAHLLOKOSA-N 0 0 393.534 3.782 20 10 GHCDRN Cc1cc(F)cc(-n2cc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)nn2)c1 ZINC000789893029 879339821 /nfs/dbraw/zinc/33/98/21/879339821.db2.gz YWRBOQATLGMRCK-UHFFFAOYSA-N 0 0 393.466 3.586 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)c2ccc(O[C@@H]3CCOC3)cc2)C2CC2)cc1 ZINC000789892862 879339841 /nfs/dbraw/zinc/33/98/41/879339841.db2.gz VAFLIYLIQVFKNC-JOCHJYFZSA-N 0 0 380.488 3.725 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2CCC(=O)c3cccn32)cc1 ZINC000789892814 879341767 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CCc1nn(C)c(CC)c1CC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000790236077 879539462 /nfs/dbraw/zinc/53/94/62/879539462.db2.gz SOEXTQDXDCOVAQ-UHFFFAOYSA-N 0 0 392.547 3.854 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCN(c4ccccn4)C3)c2C)cc1 ZINC000152775520 879680151 /nfs/dbraw/zinc/68/01/51/879680151.db2.gz QOUZNVHZYVURRE-SFHVURJKSA-N 0 0 390.487 3.506 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)CN(CCC(F)(F)F)CC(F)(F)F)cc1 ZINC000790419888 879699976 /nfs/dbraw/zinc/69/99/76/879699976.db2.gz CUYBLUCSTUOOLL-UHFFFAOYSA-N 0 0 399.379 3.528 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCc4nc[nH]c4C3)cc2Cl)C1 ZINC000854343359 879740527 /nfs/dbraw/zinc/74/05/27/879740527.db2.gz DKWIOCYUFBDZOX-GDBMZVCRSA-N 0 0 386.927 3.721 20 10 GHCDRN COCCCOCCC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000854344409 879742108 /nfs/dbraw/zinc/74/21/08/879742108.db2.gz ORWSJWVDXJPTIF-MRXNPFEDSA-N 0 0 382.932 3.636 20 10 GHCDRN O=C(CCOCC(F)(F)C(F)(F)F)NCc1ccc(N2CCCCC2)cc1 ZINC000790523051 879791824 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CCOCCC1(CNC(=O)NCc2cc(Br)ccc2O)CCC1 ZINC000805215832 883697253 /nfs/dbraw/zinc/69/72/53/883697253.db2.gz ZNWDIFFVMHAHBN-UHFFFAOYSA-N 0 0 385.302 3.551 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000805221628 883700415 /nfs/dbraw/zinc/70/04/15/883700415.db2.gz TXZWPJUXNQBXCZ-JFIYKMOQSA-N 0 0 387.277 3.540 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC(OC(C)C)CC2)cc1 ZINC000859266628 883706746 /nfs/dbraw/zinc/70/67/46/883706746.db2.gz IEOUQOLERAGWOX-UHFFFAOYSA-N 0 0 382.504 3.865 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000914506281 883902186 /nfs/dbraw/zinc/90/21/86/883902186.db2.gz ZUQHWNIJDRNPIR-UHFFFAOYSA-N 0 0 384.480 3.900 20 10 GHCDRN Cc1cc(Br)c(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1Cl ZINC000805601054 883904603 /nfs/dbraw/zinc/90/46/03/883904603.db2.gz ZKWZJELDDLKQMY-UHFFFAOYSA-N 0 0 399.624 3.862 20 10 GHCDRN CCc1cnc(CCNC(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)s1 ZINC000859673964 883982844 /nfs/dbraw/zinc/98/28/44/883982844.db2.gz KFMZBBRAFVBVBT-UHFFFAOYSA-N 0 0 395.528 3.827 20 10 GHCDRN CN(C)c1ccc([C@@H](CNC(=O)CC2(C)CC2)NC(=O)OC(C)(C)C)cc1 ZINC000760374682 884015206 /nfs/dbraw/zinc/01/52/06/884015206.db2.gz YNWLBJCIIKRQRA-QGZVFWFLSA-N 0 0 375.513 3.625 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)cc1 ZINC000918619107 884052541 /nfs/dbraw/zinc/05/25/41/884052541.db2.gz CVVKUNZHGGDGDU-QFIPXVFZSA-N 0 0 387.483 3.798 20 10 GHCDRN CCCc1c(C(=O)NCc2cccc(OC)c2O)cnn1-c1ccccc1C ZINC000760454854 884103844 /nfs/dbraw/zinc/10/38/44/884103844.db2.gz MBYILWYVTOHORE-UHFFFAOYSA-N 0 0 379.460 3.777 20 10 GHCDRN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCCC[C@@H]2CC(C)C)c1 ZINC000757615430 884104325 /nfs/dbraw/zinc/10/43/25/884104325.db2.gz UXHIZAQSCVDWBW-JOCHJYFZSA-N 0 0 388.552 3.828 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000918658386 884126168 /nfs/dbraw/zinc/12/61/68/884126168.db2.gz OXIKIWVRBLBYOE-SFHVURJKSA-N 0 0 397.519 3.805 20 10 GHCDRN Cc1ccccc1[C@@H](NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000805875916 884169495 /nfs/dbraw/zinc/16/94/95/884169495.db2.gz BRVZEODDGCZMNO-IERDGZPVSA-N 0 0 379.504 3.506 20 10 GHCDRN Cc1cc(C(=O)CN2CCc3c(O)cccc3C2)c(C)n1-c1ccc(F)cn1 ZINC000859946382 884197267 /nfs/dbraw/zinc/19/72/67/884197267.db2.gz KRGHNVKJPNJXNT-UHFFFAOYSA-N 0 0 379.435 3.575 20 10 GHCDRN CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)NCCCSc2nccs2)C1 ZINC000761771134 884225747 /nfs/dbraw/zinc/22/57/47/884225747.db2.gz MJRQMOAQBXJXQB-AWEZNQCLSA-N 0 0 399.582 3.779 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N(C)C2CCC(CO)CC2)ccc1C ZINC000860032968 884275826 /nfs/dbraw/zinc/27/58/26/884275826.db2.gz XKMCHSSQQRSNPE-UHFFFAOYSA-N 0 0 382.504 3.838 20 10 GHCDRN Cc1cc(C(=O)Cn2cccnc2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000918748924 884279601 /nfs/dbraw/zinc/27/96/01/884279601.db2.gz GDKPPTYOGQOLHE-UHFFFAOYSA-N 0 0 375.350 3.553 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000860048919 884291642 /nfs/dbraw/zinc/29/16/42/884291642.db2.gz KIPMMLXBCOIKFD-SJLPKXTDSA-N 0 0 394.487 3.726 20 10 GHCDRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(C)cn3)SC2=S)cc1 ZINC000761785436 884308029 /nfs/dbraw/zinc/30/80/29/884308029.db2.gz IDLIJVIKOAROAI-MHWRWJLKSA-N 0 0 384.482 3.973 20 10 GHCDRN Nc1ccc(CCNC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000841955858 884312281 /nfs/dbraw/zinc/31/22/81/884312281.db2.gz PWMIBPBFXIRJRY-UHFFFAOYSA-N 0 0 379.382 3.698 20 10 GHCDRN CC[C@H]([NH2+]Cc1cccc(S(=O)(=O)NC(C)C)c1)c1cccc(Cl)c1[O-] ZINC000806133206 884353991 /nfs/dbraw/zinc/35/39/91/884353991.db2.gz JAADDUZHVLKJHL-SFHVURJKSA-N 0 0 396.940 3.973 20 10 GHCDRN Cc1ccc(C(=O)C2CCN(C(=O)NCCc3ccc(N)cc3)CC2)c(C)c1 ZINC000841962027 884382285 /nfs/dbraw/zinc/38/22/85/884382285.db2.gz LOBDSUABTYVCHA-UHFFFAOYSA-N 0 0 379.504 3.733 20 10 GHCDRN CC[C@H]([NH2+][C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cccc(Cl)c1[O-] ZINC000806139654 884386668 /nfs/dbraw/zinc/38/66/68/884386668.db2.gz CDYXHYXFSXONRG-YYWHXJBOSA-N 0 0 388.939 3.969 20 10 GHCDRN CCOc1ccc(NC(=O)NCc2cc(Br)ccc2O)cc1OC ZINC000806154017 884411386 /nfs/dbraw/zinc/41/13/86/884411386.db2.gz ZVZFEELFPUWEQI-UHFFFAOYSA-N 0 0 395.253 3.884 20 10 GHCDRN CC[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000806155063 884412867 /nfs/dbraw/zinc/41/28/67/884412867.db2.gz MEJPYBLYWJGNRS-HPEXNQPKSA-N 0 0 397.306 3.667 20 10 GHCDRN C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897765168 884448987 /nfs/dbraw/zinc/44/89/87/884448987.db2.gz COWDNDKFEZLJAT-LLVKDONJSA-N 0 0 398.488 3.779 20 10 GHCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000897813716 884459842 /nfs/dbraw/zinc/45/98/42/884459842.db2.gz YRMKNENGGYLUJI-JOCHJYFZSA-N 0 0 397.496 3.770 20 10 GHCDRN C[C@@H]([NH2+]C[C@H](CO)c1cccnc1)c1cc(Br)cc(Cl)c1[O-] ZINC000806179739 884461040 /nfs/dbraw/zinc/46/10/40/884461040.db2.gz VWRMWFJAWQLQDU-ZYHUDNBSSA-N 0 0 385.689 3.630 20 10 GHCDRN Cc1cccc2c1C[C@@H](C(=O)NCc1ccccc1O)N2C(=O)OC(C)(C)C ZINC000860233365 884461143 /nfs/dbraw/zinc/46/11/43/884461143.db2.gz KLGLTACTUNXONS-SFHVURJKSA-N 0 0 382.460 3.683 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)n(C[C@H]3CCCOC3)c2C)c1 ZINC000860243150 884476051 /nfs/dbraw/zinc/47/60/51/884476051.db2.gz YRFFKDQCSLCNMO-NVXWUHKLSA-N 0 0 386.492 3.737 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)CCCn2ccnc2C)c1 ZINC000860306853 884546356 /nfs/dbraw/zinc/54/63/56/884546356.db2.gz LOSSNOROHSALLA-UHFFFAOYSA-N 0 0 378.476 3.574 20 10 GHCDRN Cc1cc(C(F)(F)F)nn1CC[NH2+]Cc1cc(Br)cc(C)c1O ZINC001183833436 912838342 /nfs/dbraw/zinc/83/83/42/912838342.db2.gz PGJGKOBIZHYKBF-UHFFFAOYSA-N 0 0 392.219 3.777 20 10 GHCDRN Cc1ccc(CO[C@H](C)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000860346491 884582762 /nfs/dbraw/zinc/58/27/62/884582762.db2.gz BLRAHXTVVCKVBW-WIYYLYMNSA-N 0 0 383.488 3.814 20 10 GHCDRN Cc1cc(CCNC(=O)N2CCC[C@H]2c2nc(C)no2)c(C)n1-c1ccccc1 ZINC000806346321 884604134 /nfs/dbraw/zinc/60/41/34/884604134.db2.gz SLALFGGCFHJZBT-FQEVSTJZSA-N 0 0 393.491 3.875 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000914728163 884632789 /nfs/dbraw/zinc/63/27/89/884632789.db2.gz HOTYLOJEURZCMX-LJQANCHMSA-N 0 0 379.504 3.544 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC(C)(C)c1cccs1 ZINC000806423086 884658698 /nfs/dbraw/zinc/65/86/98/884658698.db2.gz BLJWTRHFUUATRP-UHFFFAOYSA-N 0 0 388.533 3.676 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3Cc4ccccc4CO3)cc2F)C[C@@H](C)O1 ZINC000806457601 884726620 /nfs/dbraw/zinc/72/66/20/884726620.db2.gz PHTOEYKTTCYHIM-HZPDHXFCSA-N 0 0 399.466 3.596 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)Cc1cccnc1 ZINC000898335534 884737804 /nfs/dbraw/zinc/73/78/04/884737804.db2.gz VIOKKRYKMNRKRU-ZDUSSCGKSA-N 0 0 392.297 3.712 20 10 GHCDRN COc1ccc2c(c1)C[C@@H](C(=O)N(C)Cc1ccc(N3CCCCC3)cc1)CO2 ZINC000914779168 884742494 /nfs/dbraw/zinc/74/24/94/884742494.db2.gz MFSAZOXEZIVCOE-HXUWFJFHSA-N 0 0 394.515 3.895 20 10 GHCDRN CCc1cc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1F ZINC000806555208 884807246 /nfs/dbraw/zinc/80/72/46/884807246.db2.gz ACTXWBXOVQOARG-UHFFFAOYSA-N 0 0 375.419 3.686 20 10 GHCDRN CCN(C)C(=O)c1cccc(NC(=S)NCCCN(C)c2ccccc2)c1 ZINC000806592097 884833043 /nfs/dbraw/zinc/83/30/43/884833043.db2.gz MWYARJYXSQPVQR-UHFFFAOYSA-N 0 0 384.549 3.591 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000914831081 884840283 /nfs/dbraw/zinc/84/02/83/884840283.db2.gz LDTQSECMJOKCBD-UHFFFAOYSA-N 0 0 383.883 3.649 20 10 GHCDRN NS(=O)(=O)c1ccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)cc1 ZINC000806669686 884900682 /nfs/dbraw/zinc/90/06/82/884900682.db2.gz WGGCWZDUIURLNS-UHFFFAOYSA-N 0 0 393.512 3.509 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N(C)C3CCC(F)(F)CC3)CC2)cc1 ZINC000806683214 884914503 /nfs/dbraw/zinc/91/45/03/884914503.db2.gz CEYPOOJYJLYMBO-UHFFFAOYSA-N 0 0 381.467 3.883 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC[C@@H](OC(F)F)C1 ZINC000860702588 884929961 /nfs/dbraw/zinc/92/99/61/884929961.db2.gz DRCUXWMZKBXCKI-MRXNPFEDSA-N 0 0 376.403 3.750 20 10 GHCDRN CCc1cc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)ccc1F ZINC000806843048 885018269 /nfs/dbraw/zinc/01/82/69/885018269.db2.gz CNUWPZFRWUBHMX-UHFFFAOYSA-N 0 0 396.418 3.854 20 10 GHCDRN Cc1cc(C(=O)N2CCOC[C@H]2C)c(C)n1-c1ccc(Br)cc1 ZINC000914879229 885099869 /nfs/dbraw/zinc/09/98/69/885099869.db2.gz PWALMFLHHHLSDW-CYBMUJFWSA-N 0 0 377.282 3.718 20 10 GHCDRN CCC(C)(C)NC(=O)[C@@H](OC(=O)c1cc(C)n(-c2ccccn2)c1C)C(C)C ZINC000914903126 885132523 /nfs/dbraw/zinc/13/25/23/885132523.db2.gz FYFOQIHMKVRYDW-IBGZPJMESA-N 0 0 385.508 3.975 20 10 GHCDRN Cc1cc(C(=O)O[C@@H](C)C(=O)NC2CCC(C)CC2)c(C)n1-c1ccccn1 ZINC000914904196 885136279 /nfs/dbraw/zinc/13/62/79/885136279.db2.gz XGFDAUDMDOWHED-GMXGEUMGSA-N 0 0 383.492 3.729 20 10 GHCDRN Cc1cc(C(=O)CN2CCC[C@@H]2C(=O)[O-])c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000263577784 885224759 /nfs/dbraw/zinc/22/47/59/885224759.db2.gz RWAKIJOHLTULCB-QGZVFWFLSA-N 0 0 394.393 3.845 20 10 GHCDRN COc1cccc([C@@H]2C[C@@H]2C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000117976229 885234424 /nfs/dbraw/zinc/23/44/24/885234424.db2.gz WGIOHTUKQZWATN-ACRUOGEOSA-N 0 0 381.472 3.712 20 10 GHCDRN Cc1cc(C(=O)NCCc2csc(N3CCCC3)n2)c(C)n1-c1ccccn1 ZINC000117984410 885238873 /nfs/dbraw/zinc/23/88/73/885238873.db2.gz IWUIQSKTFAIDMR-UHFFFAOYSA-N 0 0 395.532 3.518 20 10 GHCDRN C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)c1ccc(N(C)C)cc1 ZINC000807141943 885259998 /nfs/dbraw/zinc/25/99/98/885259998.db2.gz XPBCMBXFPYKMQQ-NPPFBWRTSA-N 0 0 380.536 3.776 20 10 GHCDRN COc1ccc2c(c1)OC[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)C2 ZINC000747374249 885294385 /nfs/dbraw/zinc/29/43/85/885294385.db2.gz CWQMFADJYDXNPX-IBGZPJMESA-N 0 0 382.504 3.750 20 10 GHCDRN Cc1cc(C(=O)OC[C@H]2CC(=O)N(C3CCCCC3)C2)c(C)n1-c1ccccn1 ZINC000861243434 885348145 /nfs/dbraw/zinc/34/81/45/885348145.db2.gz RZSXZHCJIIWZAL-SFHVURJKSA-N 0 0 395.503 3.827 20 10 GHCDRN CC(C)c1ccc(NC(=O)C(=O)NCc2cc(Br)ccc2O)cc1 ZINC000807385916 885412629 /nfs/dbraw/zinc/41/26/29/885412629.db2.gz UPIQHVODOYYDIV-UHFFFAOYSA-N 0 0 391.265 3.533 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N(C)Cc2cnn(C)c2C)ccc1C ZINC000861411073 885476670 /nfs/dbraw/zinc/47/66/70/885476670.db2.gz RETZWEPFGGUCDF-UHFFFAOYSA-N 0 0 378.476 3.529 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)Nc1cc([C@@H]2CCCOC2)[nH]n1 ZINC000861436438 885497353 /nfs/dbraw/zinc/49/73/53/885497353.db2.gz JDZLLEFYBFRULG-MRXNPFEDSA-N 0 0 392.459 3.776 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(Cl)c(C)c1 ZINC000807580684 885547323 /nfs/dbraw/zinc/54/73/23/885547323.db2.gz BVOZEWOFSXJFNC-UHFFFAOYSA-N 0 0 388.895 3.799 20 10 GHCDRN CCC[C@@H](CCc1ccccc1)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807586811 885552317 /nfs/dbraw/zinc/55/23/17/885552317.db2.gz BLNNJXMTXZGIBG-NQIIRXRSSA-N 0 0 395.547 3.848 20 10 GHCDRN CCN(Cc1ccc(Cl)cc1)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807671328 885621405 /nfs/dbraw/zinc/62/14/05/885621405.db2.gz OEGFENIWXYPRPC-HNNXBMFYSA-N 0 0 387.911 3.632 20 10 GHCDRN C[C@@H](NC(=O)C(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000807672517 885623103 /nfs/dbraw/zinc/62/31/03/885623103.db2.gz CVDXYYJRSYRBJS-ZOCZFRKYSA-N 0 0 397.494 3.679 20 10 GHCDRN Cc1ccc(SC[C@H](C)NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000807673067 885623129 /nfs/dbraw/zinc/62/31/29/885623129.db2.gz MWNRARNGCGYVAZ-DLBZAZTESA-N 0 0 399.560 3.535 20 10 GHCDRN C[C@H](NC(=O)C(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1)c1ccc(N(C)C)cc1 ZINC000807676692 885626561 /nfs/dbraw/zinc/62/65/61/885626561.db2.gz IRVCZZNVBOVMHO-JTDSTZFVSA-N 0 0 383.492 3.523 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1c2ccccc2CC[C@H]1C ZINC000807691571 885640021 /nfs/dbraw/zinc/64/00/21/885640021.db2.gz ODWXCPONILQSIH-VGOFRKELSA-N 0 0 394.515 3.961 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1nnc2ccccn21 ZINC000170994459 885663269 /nfs/dbraw/zinc/66/32/69/885663269.db2.gz GUDYAWJAYFUCMZ-KRWDZBQOSA-N 0 0 392.507 3.526 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc(OC)cnc1F ZINC000861585405 885666385 /nfs/dbraw/zinc/66/63/85/885666385.db2.gz FQLMJBRZEZGDNU-UHFFFAOYSA-N 0 0 398.232 3.751 20 10 GHCDRN CCc1cc(Cl)cnc1NC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000861607679 885689884 /nfs/dbraw/zinc/68/98/84/885689884.db2.gz OIPRJUNIMYPGGS-CQSZACIVSA-N 0 0 388.899 3.954 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000807819233 885740142 /nfs/dbraw/zinc/74/01/42/885740142.db2.gz VIMHAIXJWJOSJN-HXUWFJFHSA-N 0 0 393.531 3.795 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1cnn(C(F)F)c1)c1ccccc1O ZINC001184073746 912975205 /nfs/dbraw/zinc/97/52/05/912975205.db2.gz WOHUHLLYWHHXDZ-CYBMUJFWSA-N 0 0 396.394 3.578 20 10 GHCDRN C[C@@H]1[C@H](C)SCCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000118575045 885901419 /nfs/dbraw/zinc/90/14/19/885901419.db2.gz ZTEMZUQLONFFOK-KGLIPLIRSA-N 0 0 399.507 3.792 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCC(=O)c1ccc(NC(N)=O)cc1 ZINC000919568574 885939706 /nfs/dbraw/zinc/93/97/06/885939706.db2.gz HEHKQBPYFJXKCS-UHFFFAOYSA-N 0 0 397.456 3.686 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000861885682 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Cc1ccc(CNC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c2ccccc12 ZINC000817834207 895917018 /nfs/dbraw/zinc/91/70/18/895917018.db2.gz ZWCGVEYGLBWVBP-QGZVFWFLSA-N 0 0 389.499 3.708 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)Nc3cccc4c3OCCCO4)CC2)cc1 ZINC000880837722 895923773 /nfs/dbraw/zinc/92/37/73/895923773.db2.gz RNBKZTQKGPEKPT-UHFFFAOYSA-N 0 0 397.475 3.647 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N(CC(C)C)C1CCCC1 ZINC000817860087 895934808 /nfs/dbraw/zinc/93/48/08/895934808.db2.gz VGSAFIHFFNTMKS-SFHVURJKSA-N 0 0 387.568 3.535 20 10 GHCDRN C[C@H]1C[C@H](C(=O)[O-])C[N@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000817882028 895948431 /nfs/dbraw/zinc/94/84/31/895948431.db2.gz VFYHTYWIVSKWRO-HOCLYGCPSA-N 0 0 395.341 3.982 20 10 GHCDRN C[C@]1(c2ccccc2)CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CCO1 ZINC000817937224 895967014 /nfs/dbraw/zinc/96/70/14/895967014.db2.gz VUOXLMASDRAHCB-JOCHJYFZSA-N 0 0 393.512 3.704 20 10 GHCDRN C[C@H]([NH2+]CCCNCc1cccnc1)c1cc(Br)cc(F)c1[O-] ZINC000817939267 895968842 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CCN(CC(F)F)C(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C ZINC000843853767 900248723 /nfs/dbraw/zinc/24/87/23/900248723.db2.gz DDBHSEZWLPKDQO-UHFFFAOYSA-N 0 0 386.240 3.979 20 10 GHCDRN COCC(C)(C)N(C)C(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C ZINC000843893315 900297629 /nfs/dbraw/zinc/29/76/29/900297629.db2.gz MQIDCHVLWNNZPU-UHFFFAOYSA-N 0 0 394.313 3.749 20 10 GHCDRN CS[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccc(Br)cn3)c2C)C1 ZINC000843898962 900305609 /nfs/dbraw/zinc/30/56/09/900305609.db2.gz MFBXRLSUXFCAII-CQSZACIVSA-N 0 0 394.338 3.829 20 10 GHCDRN C[C@@H](NC(=O)NCC1(Cc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000157198309 900332310 /nfs/dbraw/zinc/33/23/10/900332310.db2.gz QPPRIQNCSUYKRY-LJQANCHMSA-N 0 0 393.531 3.906 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCC(O)(C4CCC4)CC3)ccc21 ZINC000884987855 900359807 /nfs/dbraw/zinc/35/98/07/900359807.db2.gz GVUPGZOCMYKDRR-UHFFFAOYSA-N 0 0 384.520 3.672 20 10 GHCDRN O=C(Cc1cccc(F)c1Br)N1CCCc2cc(O)c(O)cc2C1 ZINC001143755478 900503263 /nfs/dbraw/zinc/50/32/63/900503263.db2.gz 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CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(Br)c(F)cc1[O-] ZINC001144307606 901696956 /nfs/dbraw/zinc/69/69/56/901696956.db2.gz BPQFPLIAXZVDFI-GFCCVEGCSA-N 0 0 388.277 3.990 20 10 GHCDRN O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000845107403 901787902 /nfs/dbraw/zinc/78/79/02/901787902.db2.gz IBGNQVKNTWSAOH-FUHWJXTLSA-N 0 0 378.831 3.904 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)N[C@@H](C)CCCC(F)(F)F)cc1 ZINC000845150977 901857645 /nfs/dbraw/zinc/85/76/45/901857645.db2.gz SSCPRKWXIJYDTD-AWEZNQCLSA-N 0 0 375.435 3.894 20 10 GHCDRN COCCC[C@H](Cc1ccccc1)NC(=O)NCc1cc(Cl)ccc1O ZINC000845161859 901874361 /nfs/dbraw/zinc/87/43/61/901874361.db2.gz BJOWIWHOMMUZIB-GOSISDBHSA-N 0 0 376.884 3.883 20 10 GHCDRN O=C(NCc1nc(C2CC2)cs1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000123261662 901913696 /nfs/dbraw/zinc/91/36/96/901913696.db2.gz ORMHIHLQTVGKDA-INIZCTEOSA-N 0 0 387.505 3.617 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)NC[C@H]2CSc3ccccc32)cc1 ZINC000845225168 901923818 /nfs/dbraw/zinc/92/38/18/901923818.db2.gz 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C[C@H]1CN(Cc2ccc(C(=O)NCc3cc(Cl)ccc3O)cc2)C[C@H](C)O1 ZINC000846472687 903001211 /nfs/dbraw/zinc/00/12/11/903001211.db2.gz LKAJIJLOEPPMCP-GJZGRUSLSA-N 0 0 388.895 3.585 20 10 GHCDRN Cc1cc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc(OCCO)c1 ZINC000775042430 914690004 /nfs/dbraw/zinc/69/00/04/914690004.db2.gz ZUIMQKYZHXVTIT-UHFFFAOYSA-N 0 0 385.464 3.877 20 10 GHCDRN O=C(c1cc2sccc2s1)N1CCN(Cc2cc(F)ccc2O)CC1 ZINC000779030657 903171047 /nfs/dbraw/zinc/17/10/47/903171047.db2.gz YKECIOQPRJPUSD-UHFFFAOYSA-N 0 0 376.478 3.766 20 10 GHCDRN COC(=O)[C@@H](c1cccc(Br)c1)N(C)Cc1cc(F)ccc1O ZINC000779029332 903189321 /nfs/dbraw/zinc/18/93/21/903189321.db2.gz BTTVJMPZTVXLGZ-MRXNPFEDSA-N 0 0 382.229 3.640 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)CCc1c(C)nc2cc(=O)[nH]n2c1C ZINC000801549388 921121125 /nfs/dbraw/zinc/12/11/25/921121125.db2.gz MGMAGJDVIJHYNX-UHFFFAOYSA-N 0 0 396.491 3.519 20 10 GHCDRN C[C@@H](NC(=O)c1cc(Cl)nc(C2CC2)c1)c1ccc(N2CCOCC2)cc1 ZINC000846835184 903256555 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904410280 /nfs/dbraw/zinc/41/02/80/904410280.db2.gz VUHLXUXGFDLWGB-UHFFFAOYSA-N 0 0 385.455 3.790 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccccc2[C@H]2CCC(=O)N2)cc1 ZINC000889143540 904444841 /nfs/dbraw/zinc/44/48/41/904444841.db2.gz JCNYRGSVQDCDMP-HXUWFJFHSA-N 0 0 380.492 3.806 20 10 GHCDRN CCOC(=O)CN(Cc1coc(-c2ccccc2F)n1)Cc1ccccc1O ZINC001171391148 904480086 /nfs/dbraw/zinc/48/00/86/904480086.db2.gz XPLVKQMBBYLOTC-UHFFFAOYSA-N 0 0 384.407 3.752 20 10 GHCDRN c1ncn(Cc2ccc(NCCc3ccc(OCc4ccccn4)cc3)cc2)n1 ZINC001171426581 904578460 /nfs/dbraw/zinc/57/84/60/904578460.db2.gz VCLYGARTRVUZRF-UHFFFAOYSA-N 0 0 385.471 3.955 20 10 GHCDRN COc1ccc(CCCNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000773248321 904613574 /nfs/dbraw/zinc/61/35/74/904613574.db2.gz YICBCWPBEZCEPL-MRXNPFEDSA-N 0 0 385.508 3.763 20 10 GHCDRN COc1cccc(N2CC[C@@H](CNC(=O)N[C@H](C)c3ccc(N(C)C)cc3)C2)c1 ZINC000773264068 904625083 /nfs/dbraw/zinc/62/50/83/904625083.db2.gz CRUPPGCJBCWKON-MSOLQXFVSA-N 0 0 396.535 3.648 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Nc3nn(C(C)C)cc3Cl)CC2)cc1 ZINC000889537766 904627478 /nfs/dbraw/zinc/62/74/78/904627478.db2.gz IWJVWWHOKGNUEG-UHFFFAOYSA-N 0 0 391.903 3.870 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)Nc2cnn(C3CCOCC3)c2)c1 ZINC001186830602 914840047 /nfs/dbraw/zinc/84/00/47/914840047.db2.gz SQKUSVVXTNAPJZ-UHFFFAOYSA-N 0 0 380.448 3.600 20 10 GHCDRN COC(=O)c1ccnc(Cl)c1NC(=O)c1cc(-n2c(C)ccc2C)ccc1O ZINC001186831163 914841217 /nfs/dbraw/zinc/84/12/17/914841217.db2.gz XELDZYNHMHTCET-UHFFFAOYSA-N 0 0 399.834 3.887 20 10 GHCDRN CCc1c(C(=O)N[C@@H](C)c2cc(OC)ccc2O)cnn1-c1ccccc1OC ZINC000187699431 904825460 /nfs/dbraw/zinc/82/54/60/904825460.db2.gz ULCNCUATCKNVGR-AWEZNQCLSA-N 0 0 395.459 3.649 20 10 GHCDRN Cc1cccc(Cl)c1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000826671716 904868683 /nfs/dbraw/zinc/86/86/83/904868683.db2.gz PTQAOLFHQHMCEV-UHFFFAOYSA-N 0 0 376.859 3.679 20 10 GHCDRN Cc1c(CNC(=O)OC(C)(C)C)c(NCc2cc(Cl)ccc2O)nn1C ZINC000826692784 905037009 /nfs/dbraw/zinc/03/70/09/905037009.db2.gz 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Cc1cc(C(=O)N2CCC[C@H]2CCO)c(C)n1-c1cccc(Br)c1 ZINC000779284282 906015881 /nfs/dbraw/zinc/01/58/81/906015881.db2.gz LPUCOUICILNWTA-INIZCTEOSA-N 0 0 391.309 3.844 20 10 GHCDRN CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H]3CCCCC3(C)C)cc2)CC1 ZINC000190574398 906149911 /nfs/dbraw/zinc/14/99/11/906149911.db2.gz CNWJZOPNILQWCE-FQEVSTJZSA-N 0 0 385.552 3.578 20 10 GHCDRN C[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Cl)s1 ZINC000177664235 906193099 /nfs/dbraw/zinc/19/30/99/906193099.db2.gz OYUWBOUBEWILEC-GFCCVEGCSA-N 0 0 396.915 3.922 20 10 GHCDRN Cc1cc(C(=O)N2CCC(Cn3cncn3)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000190720757 906255076 /nfs/dbraw/zinc/25/50/76/906255076.db2.gz ZQXYRMBFMFFATD-UHFFFAOYSA-N 0 0 391.519 3.855 20 10 GHCDRN CC[C@]1(O)CCN(C(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)C1 ZINC000779335715 906256817 /nfs/dbraw/zinc/25/68/17/906256817.db2.gz KRYUSHVIWDPFPS-IBGZPJMESA-N 0 0 391.309 3.844 20 10 GHCDRN CNC(=O)C1CCN(C(=O)c2ccccc2/N=N/c2ccc(N(C)C)cc2)CC1 ZINC000178465833 906346522 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CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000182960726 907301382 /nfs/dbraw/zinc/30/13/82/907301382.db2.gz IZDBGOBILDQNOW-UHFFFAOYSA-N 0 0 380.448 3.532 20 10 GHCDRN Cc1cnc([C@@H](C)CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000183198725 907349333 /nfs/dbraw/zinc/34/93/33/907349333.db2.gz MYXORUHVEFUBLK-YOEHRIQHSA-N 0 0 389.521 3.651 20 10 GHCDRN Cc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1NC(=O)c1ccncc1 ZINC000779504074 907350850 /nfs/dbraw/zinc/35/08/50/907350850.db2.gz YRRURMCWPNFUIH-DAXSKMNVSA-N 0 0 389.411 3.705 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccnn1[C@H]1CCCc2ccccc21 ZINC000779515122 907357154 /nfs/dbraw/zinc/35/71/54/907357154.db2.gz SPTUGJFZAUMXDI-CKDFRHGISA-N 0 0 375.428 3.872 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC(OCc2cccc3ccccc32)C1 ZINC000779526226 907365381 /nfs/dbraw/zinc/36/53/81/907365381.db2.gz QUHYWEOOAHXNEK-LUAWRHEFSA-N 0 0 375.424 3.692 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1O ZINC000779526657 907366467 /nfs/dbraw/zinc/36/64/67/907366467.db2.gz WRFWGVHWWPQAOB-HNNXBMFYSA-N 0 0 376.403 3.701 20 10 GHCDRN CCc1ccc(-c2noc([C@H](C)NC(=O)/C=C/c3ccc(O)c(O)c3)n2)cc1 ZINC000779531766 907395727 /nfs/dbraw/zinc/39/57/27/907395727.db2.gz KLSCEJKSBDLUQH-HJTPGIPUSA-N 0 0 379.416 3.601 20 10 GHCDRN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779541352 907540722 /nfs/dbraw/zinc/54/07/22/907540722.db2.gz FLRIBGXYMIGMRQ-QDBLGGKGSA-N 0 0 388.261 3.847 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccccc2C[S@](C)=O)cc1F ZINC000184299242 907556182 /nfs/dbraw/zinc/55/61/82/907556182.db2.gz NIXJXEITQRIYES-MHZLTWQESA-N 0 0 391.512 3.872 20 10 GHCDRN Cc1n[nH]c2ccc(Nc3c(CC(N)=O)cccc3C(=O)c3ccccc3)cc12 ZINC001175700699 907673539 /nfs/dbraw/zinc/67/35/39/907673539.db2.gz SEWDBPFPWZOOJP-UHFFFAOYSA-N 0 0 384.439 3.874 20 10 GHCDRN C[C@@H]([NH2+]C1CCOCC1)c1cc(Br)cc(Br)c1[O-] ZINC000185078731 907709240 /nfs/dbraw/zinc/70/92/40/907709240.db2.gz NYPUGDXTDLWCGV-MRVPVSSYSA-N 0 0 379.092 3.747 20 10 GHCDRN Cn1c(-c2ccccc2)cnc1SCCS(=O)(=O)c1ccc(F)cc1 ZINC000192644348 907818679 /nfs/dbraw/zinc/81/86/79/907818679.db2.gz MEBUPOUZWGLAEE-UHFFFAOYSA-N 0 0 376.478 3.792 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)NC1CCC(O)(c2cccnc2)CC1 ZINC000185722611 907822118 /nfs/dbraw/zinc/82/21/18/907822118.db2.gz SMMHSWBUGWWIAL-UHFFFAOYSA-N 0 0 383.492 3.539 20 10 GHCDRN CC(F)(F)c1cccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000187314739 908073264 /nfs/dbraw/zinc/07/32/64/908073264.db2.gz PHYMPNWZPFSPIS-UHFFFAOYSA-N 0 0 387.430 3.653 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C1CCN(C(=O)OCC)CC1 ZINC000779669156 908089637 /nfs/dbraw/zinc/08/96/37/908089637.db2.gz LMDCZZNCAXMJSI-MRXNPFEDSA-N 0 0 391.512 3.571 20 10 GHCDRN O=C1c2ccccc2C(=O)c2c(Nc3cnn(Cc4cccnc4)c3)cccc21 ZINC001176455608 908118397 /nfs/dbraw/zinc/11/83/97/908118397.db2.gz MVVYRBNICJLWGQ-UHFFFAOYSA-N 0 0 380.407 3.845 20 10 GHCDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cnc(N(C)C)cn1 ZINC000779678886 908139953 /nfs/dbraw/zinc/13/99/53/908139953.db2.gz JEBHMGDDJBHHDQ-INIZCTEOSA-N 0 0 376.460 3.652 20 10 GHCDRN CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000080020386 908207991 /nfs/dbraw/zinc/20/79/91/908207991.db2.gz MTBCQAZLMNHKBM-APWZRJJASA-N 0 0 377.504 3.555 20 10 GHCDRN Cc1cc(C(=O)CN2CCCN(CC(F)F)CC2)c(C)n1-c1cccc(F)c1 ZINC000773596457 908292851 /nfs/dbraw/zinc/29/28/51/908292851.db2.gz DNHMFVADVNSTCX-UHFFFAOYSA-N 0 0 393.453 3.689 20 10 GHCDRN COC(=O)c1ccc(CNC(=S)Nc2ccc3c(c2)CCC3)nc1C1CC1 ZINC000779718793 908308648 /nfs/dbraw/zinc/30/86/48/908308648.db2.gz MCTBXRBYRXQFNG-UHFFFAOYSA-N 0 0 381.501 3.721 20 10 GHCDRN CCOc1ccc(OCC)c(NC(=S)NNc2cccc(C(=O)OC)c2)c1 ZINC000779729283 908356249 /nfs/dbraw/zinc/35/62/49/908356249.db2.gz YIWWRLICSCPBHW-UHFFFAOYSA-N 0 0 389.477 3.584 20 10 GHCDRN Cc1cc(C(F)F)n(CC(=O)n2c(=N)ccc(/N=N/c3ccccc3)c2N)n1 ZINC001176999612 908357145 /nfs/dbraw/zinc/35/71/45/908357145.db2.gz YHPZWQLJRGVHGH-AYKHIQLFSA-N 0 0 385.378 3.748 20 10 GHCDRN CC(C)Oc1cccc([C@H](O)CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 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GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccnc(C2CC2)c1 ZINC000834513722 1021237285 /nfs/dbraw/zinc/23/72/85/1021237285.db2.gz BPPOVAGUVAUZMM-UHFFFAOYSA-N 0 0 395.503 3.961 20 10 GHCDRN Cc1cc(CC(=O)N2CCC[C@H]2C(=O)NC(C)(C)C)c(C)n1-c1ccccc1 ZINC001156296632 1032965792 /nfs/dbraw/zinc/96/57/92/1032965792.db2.gz MOEYYDLHKGRRJC-FQEVSTJZSA-N 0 0 381.520 3.542 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O[C@@H]2COC[C@H]2F)c1 ZINC001228522466 1032969754 /nfs/dbraw/zinc/96/97/54/1032969754.db2.gz OKBMUYGPCYATDQ-QAENBJJHSA-N 0 0 390.451 3.977 20 10 GHCDRN CC(C)(C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1nccs1 ZINC000900868401 1021354664 /nfs/dbraw/zinc/35/46/64/1021354664.db2.gz HJBGQFGLXAJASK-ZDUSSCGKSA-N 0 0 395.475 3.807 20 10 GHCDRN Oc1cccc(Cl)c1CN1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001140339225 1021446997 /nfs/dbraw/zinc/44/69/97/1021446997.db2.gz GCBPXHLLSGNWLZ-URKNILKWSA-N 0 0 394.924 3.698 20 10 GHCDRN CS(=O)(=O)c1ccc(C2CCN(Cc3c(O)cccc3Cl)CC2)cc1 ZINC001140342529 1021454967 /nfs/dbraw/zinc/45/49/67/1021454967.db2.gz NXXNVJSUQJBJRF-UHFFFAOYSA-N 0 0 379.909 3.829 20 10 GHCDRN Cc1cnc(COCC(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)o1 ZINC000803030302 1021554986 /nfs/dbraw/zinc/55/49/86/1021554986.db2.gz QYHPFQUODYOWRK-KRWDZBQOSA-N 0 0 380.444 3.995 20 10 GHCDRN COc1cc(OC)c(C[C@@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])c(OC)c1 ZINC000834881490 1021606198 /nfs/dbraw/zinc/60/61/98/1021606198.db2.gz QPSPIYXLFNMCAK-VXGBXAGGSA-N 0 0 381.419 3.978 20 10 GHCDRN Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000834910038 1021672845 /nfs/dbraw/zinc/67/28/45/1021672845.db2.gz DXRGLUVZGRQBLE-KOLCDFICSA-N 0 0 396.260 3.675 20 10 GHCDRN CCS(=O)(=O)Nc1ccc(NC/C=C/c2ccc(N(C)C)cc2)cc1OC ZINC000835029982 1021786939 /nfs/dbraw/zinc/78/69/39/1021786939.db2.gz ACRCTLLJMILRSW-VOTSOKGWSA-N 0 0 389.521 3.648 20 10 GHCDRN O=C([O-])c1ccccc1C[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001140509074 1021896333 /nfs/dbraw/zinc/89/63/33/1021896333.db2.gz BNBGIUUUCXBYMR-UHFFFAOYSA-N 0 0 380.366 3.606 20 10 GHCDRN CC(C)[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1F ZINC000827159174 1021923947 /nfs/dbraw/zinc/92/39/47/1021923947.db2.gz YMGZLOMNRLWZPM-OAQYLSRUSA-N 0 0 397.494 3.556 20 10 GHCDRN CC(F)(F)c1ccccc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000835150315 1021925170 /nfs/dbraw/zinc/92/51/70/1021925170.db2.gz XMKOQPCAIYFBMI-UHFFFAOYSA-N 0 0 388.414 3.638 20 10 GHCDRN Cc1cc(C(=O)NC[C@H](O)CC(C)C)c(C)n1-c1ccc(Br)cc1 ZINC001137359882 1021951476 /nfs/dbraw/zinc/95/14/76/1021951476.db2.gz MZOKGJGQNYRQDS-QGZVFWFLSA-N 0 0 393.325 3.993 20 10 GHCDRN CCOc1cc(C)c(Nc2c(CC(N)=O)cccc2C(=O)c2ccccc2)cn1 ZINC001203046594 1021957917 /nfs/dbraw/zinc/95/79/17/1021957917.db2.gz TXBSOYOKLMUGQW-UHFFFAOYSA-N 0 0 389.455 3.791 20 10 GHCDRN CC(C)(C)OC(=O)N1CCCC2(C[NH+](Cc3c([O-])cc(F)cc3F)C2)CC1 ZINC001140583975 1022007458 /nfs/dbraw/zinc/00/74/58/1022007458.db2.gz AEODHBORRRBMRV-UHFFFAOYSA-N 0 0 382.451 3.893 20 10 GHCDRN O=[N+]([O-])c1cccc2c1ccnc2NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000827420262 1022160945 /nfs/dbraw/zinc/16/09/45/1022160945.db2.gz OLWMVACNJNQKBD-UHFFFAOYSA-N 0 0 396.422 3.855 20 10 GHCDRN Nc1ccc(Cc2nc(C(=O)N3CCCN(c4ccccc4)CC3)cs2)cc1 ZINC000827464221 1022213670 /nfs/dbraw/zinc/21/36/70/1022213670.db2.gz YCZPDGJQKZHADW-UHFFFAOYSA-N 0 0 392.528 3.669 20 10 GHCDRN CCOC(=O)[C@H]1c2ccc(Cl)cc2CCN1Cc1ccc(O)c(C)c1O ZINC001140750904 1022430740 /nfs/dbraw/zinc/43/07/40/1022430740.db2.gz BSHNVCQBDLFVIO-GOSISDBHSA-N 0 0 375.852 3.722 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCC(c3nccc(C)n3)CC2)cc1 ZINC000754158998 1022513009 /nfs/dbraw/zinc/51/30/09/1022513009.db2.gz JSAZNCJTXQWQLO-UHFFFAOYSA-N 0 0 381.524 3.720 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H]1CCCCC1(F)F ZINC000836241058 1022758695 /nfs/dbraw/zinc/75/86/95/1022758695.db2.gz AGESFKGHESNRSJ-MRXNPFEDSA-N 0 0 383.508 3.865 20 10 GHCDRN Cc1nn(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c(C)c1Cl ZINC000754552550 1022766008 /nfs/dbraw/zinc/76/60/08/1022766008.db2.gz OQOPXNINFMHXER-UHFFFAOYSA-N 0 0 393.830 3.567 20 10 GHCDRN C[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)C[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000836254914 1022777291 /nfs/dbraw/zinc/77/72/91/1022777291.db2.gz AEJYOKJOERYXOM-HLLBOEOZSA-N 0 0 399.457 3.957 20 10 GHCDRN C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000836254920 1022777739 /nfs/dbraw/zinc/77/77/39/1022777739.db2.gz AEJYOKJOERYXOM-ZOBUZTSGSA-N 0 0 399.457 3.957 20 10 GHCDRN COC(=O)c1ccc(-n2c(C)cc(C(=O)CS[C@@H]3CCO[C@@H]3C)c2C)cc1 ZINC000754725772 1022861012 /nfs/dbraw/zinc/86/10/12/1022861012.db2.gz DDONSZYDJDSQJA-FOIQADDNSA-N 0 0 387.501 3.974 20 10 GHCDRN COc1cc(CN2CCN(CC(F)(F)C(F)F)CC2)c(O)c(C(C)(C)C)c1 ZINC000754739937 1022872482 /nfs/dbraw/zinc/87/24/82/1022872482.db2.gz DYICBYOQCGRCRU-UHFFFAOYSA-N 0 0 392.437 3.716 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NC[C@@H]3CCCCC3(F)F)CC2)cc1 ZINC000836527688 1023082504 /nfs/dbraw/zinc/08/25/04/1023082504.db2.gz SXBIYRVSWKGIEY-INIZCTEOSA-N 0 0 381.467 3.742 20 10 GHCDRN CC[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CCCC1 ZINC000836642909 1023203666 /nfs/dbraw/zinc/20/36/66/1023203666.db2.gz ZHFODLOQUUQCEL-LJQANCHMSA-N 0 0 377.504 3.555 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccnc(Br)c2C)c1 ZINC000836675043 1023240863 /nfs/dbraw/zinc/24/08/63/1023240863.db2.gz IPJQRVYNNZZULA-SNVBAGLBSA-N 0 0 380.242 3.749 20 10 GHCDRN CC(=O)N(c1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1)[C@H]1C[C@@H]1C ZINC000836704789 1023278524 /nfs/dbraw/zinc/27/85/24/1023278524.db2.gz RIQQPKAXKMMREP-KSMMKXTCSA-N 0 0 397.475 3.612 20 10 GHCDRN Cc1cc(C(=O)N(C)C[C@@H](O)C2CC2)c(C)n1-c1ccccc1Br ZINC000755518550 1023281022 /nfs/dbraw/zinc/28/10/22/1023281022.db2.gz JLASDBZAMRIBRW-GOSISDBHSA-N 0 0 391.309 3.700 20 10 GHCDRN Cc1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(C)n1 ZINC000755850237 1023402898 /nfs/dbraw/zinc/40/28/98/1023402898.db2.gz DVJVGQMGCLBPDN-GJZGRUSLSA-N 0 0 386.471 3.773 20 10 GHCDRN CC[C@H](CCO)NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000755992401 1023469899 /nfs/dbraw/zinc/46/98/99/1023469899.db2.gz FOTVUTGLKMKLGF-OAHLLOKOSA-N 0 0 379.298 3.747 20 10 GHCDRN Cc1cc(C(=O)N[C@H](C)c2ccc([S@](C)=O)cc2)c(C)n1-c1ccccn1 ZINC000756041875 1023492882 /nfs/dbraw/zinc/49/28/82/1023492882.db2.gz MBLVTAQXSAWKGV-RXAIFQJESA-N 0 0 381.501 3.718 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ncc(C(C)C)s2)cc1 ZINC000756077112 1023512893 /nfs/dbraw/zinc/51/28/93/1023512893.db2.gz QVVPLVBNAMTRQJ-UHFFFAOYSA-N 0 0 388.537 3.710 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NCCCSCC(C)C)CC2)cc1 ZINC000756113269 1023526080 /nfs/dbraw/zinc/52/60/80/1023526080.db2.gz GPKXMCYLGRMNFT-UHFFFAOYSA-N 0 0 379.570 3.696 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCO[C@H](c3ccnn3C)C2)c(C)n1-c1cccc(C)c1 ZINC000836974597 1023535552 /nfs/dbraw/zinc/53/55/52/1023535552.db2.gz JBXCPRXKMKRKGG-AVRDEDQJSA-N 0 0 392.503 3.786 20 10 GHCDRN C[C@@H]([NH2+]CCCNc1ccc(C(F)(F)F)cn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756399703 1023628596 /nfs/dbraw/zinc/62/85/96/1023628596.db2.gz FQNTZNJJSYMPEZ-LLVKDONJSA-N 0 0 384.358 3.867 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2(c3ccc(OC)cc3)CCOCC2)c1 ZINC000756454394 1023659832 /nfs/dbraw/zinc/65/98/32/1023659832.db2.gz MEVADBXZBOMWHK-MRXNPFEDSA-N 0 0 399.487 3.586 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756475388 1023675152 /nfs/dbraw/zinc/67/51/52/1023675152.db2.gz PAQIYPVQIBDAIN-HIFRSBDPSA-N 0 0 379.457 3.741 20 10 GHCDRN C[C@@H](NC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCOCC1)c1ccccc1 ZINC000756594825 1023727631 /nfs/dbraw/zinc/72/76/31/1023727631.db2.gz PLTQOYPTIQLKEO-IAGOWNOFSA-N 0 0 399.491 3.851 20 10 GHCDRN C[C@@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756601805 1023731803 /nfs/dbraw/zinc/73/18/03/1023731803.db2.gz BDXSCWIPZXREOK-JLTOFOAXSA-N 0 0 395.330 3.987 20 10 GHCDRN C[C@@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756638934 1023748379 /nfs/dbraw/zinc/74/83/79/1023748379.db2.gz UITFQQUMZNLVML-BMIGLBTASA-N 0 0 393.778 3.896 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(C)cc2OC[C@H]2CCCO2)c1 ZINC000756646443 1023752145 /nfs/dbraw/zinc/75/21/45/1023752145.db2.gz MJRNSSBPZGOFFJ-VQIMIIECSA-N 0 0 399.487 3.896 20 10 GHCDRN CC[C@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-])[C@@H](O)c1c(F)cccc1F ZINC000756734152 1023792202 /nfs/dbraw/zinc/79/22/02/1023792202.db2.gz UYUDLWVHXWDAAR-XNPNBVRTSA-N 0 0 379.403 3.620 20 10 GHCDRN O=C(NCCc1cnc(C2CC2)nc1)N(Cc1ccco1)Cc1ccccc1O ZINC000756732291 1023792446 /nfs/dbraw/zinc/79/24/46/1023792446.db2.gz CZSIVXQVNJJVDG-UHFFFAOYSA-N 0 0 392.459 3.607 20 10 GHCDRN C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756779286 1023812086 /nfs/dbraw/zinc/81/20/86/1023812086.db2.gz IMSUZPREIDHWBF-UTLVKMTRSA-N 0 0 389.839 3.576 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756779169 1023812537 /nfs/dbraw/zinc/81/25/37/1023812537.db2.gz QPWCATQFICOFLJ-JVMOKEISSA-N 0 0 377.391 3.675 20 10 GHCDRN C[C@H](Nc1ccc2c(c1)NC(=O)CO2)c1cc(Br)cc(F)c1O ZINC000756797706 1023817514 /nfs/dbraw/zinc/81/75/14/1023817514.db2.gz UTXUTPLTOMRDIS-QMMMGPOBSA-N 0 0 381.201 3.798 20 10 GHCDRN C[C@H](Nc1cccc(N2CCNC2=O)c1)c1ccc(Br)cc1O ZINC000756818797 1023826194 /nfs/dbraw/zinc/82/61/94/1023826194.db2.gz HXWHRBDTZZPLPY-NSHDSACASA-N 0 0 376.254 3.857 20 10 GHCDRN C[C@@H](Nc1cccc(N2CCNC2=O)c1)c1cc(Br)c(F)cc1O ZINC000756817774 1023826769 /nfs/dbraw/zinc/82/67/69/1023826769.db2.gz BWFJYAQEZNDGPV-SNVBAGLBSA-N 0 0 394.244 3.997 20 10 GHCDRN COc1cc([N+](=O)[O-])ccc1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000756857721 1023837476 /nfs/dbraw/zinc/83/74/76/1023837476.db2.gz CNGAMTALMFXXRK-UHFFFAOYSA-N 0 0 382.372 3.745 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c(C)n1-c1cccc(C)c1 ZINC000837037407 1023971819 /nfs/dbraw/zinc/97/18/19/1023971819.db2.gz KYLOXDCELKVDQK-CRAIPNDOSA-N 0 0 380.410 3.788 20 10 GHCDRN COc1ccc(O)c(CNC(=O)Cc2sc(SCC(C)C)nc2C)c1 ZINC000830544576 1023978902 /nfs/dbraw/zinc/97/89/02/1023978902.db2.gz RJCSYIBYNFRMLQ-UHFFFAOYSA-N 0 0 380.535 3.773 20 10 GHCDRN CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2CN1Cc1cc(O)ccc1O ZINC001141163259 1023988873 /nfs/dbraw/zinc/98/88/73/1023988873.db2.gz XRAHEQDPGACKEN-SFHVURJKSA-N 0 0 384.476 3.549 20 10 GHCDRN Cc1nc(CO[C@@H]2COC3(C2)CC[NH+](Cc2cccc(F)c2[O-])CC3)cs1 ZINC001138127126 1024173631 /nfs/dbraw/zinc/17/36/31/1024173631.db2.gz PLSPHZUIPLXSNQ-KRWDZBQOSA-N 0 0 392.496 3.637 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cccc(F)c2[O-])C[C@@H]1C(F)(F)F ZINC001138131062 1024186010 /nfs/dbraw/zinc/18/60/10/1024186010.db2.gz OFXJWWRALQZBQA-JSGCOSHPSA-N 0 0 392.393 3.809 20 10 GHCDRN C/C=C\C[C@H](NC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1)C(=O)OCC ZINC001138133187 1024193650 /nfs/dbraw/zinc/19/36/50/1024193650.db2.gz DSGATPJQEPGCFC-LZVBJTEYSA-N 0 0 396.487 3.843 20 10 GHCDRN O=C(NCc1ccco1)C12CC(C1)CN2Cc1ccc(N2CCCCC2)cc1 ZINC001138218971 1024391156 /nfs/dbraw/zinc/39/11/56/1024391156.db2.gz ZSSGAPRDXGGQMU-UHFFFAOYSA-N 0 0 379.504 3.551 20 10 GHCDRN COCC1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCCC1 ZINC000837439153 1024458529 /nfs/dbraw/zinc/45/85/29/1024458529.db2.gz FHDMGNYFAHBGCE-OAHLLOKOSA-N 0 0 382.451 3.580 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)c3cnn(C)c3Cl)cc2Cl)C1 ZINC000831277061 1024465746 /nfs/dbraw/zinc/46/57/46/1024465746.db2.gz SBKWRMMJQXJBPW-LBPRGKRZSA-N 0 0 381.307 3.893 20 10 GHCDRN O=C(COCc1cccc(Cl)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000837490661 1024501391 /nfs/dbraw/zinc/50/13/91/1024501391.db2.gz JKGNLLYLKQNAKD-IBGZPJMESA-N 0 0 389.879 3.770 20 10 GHCDRN CC(=O)N(c1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1)[C@@H]1C[C@@H]1C ZINC001141327428 1024571100 /nfs/dbraw/zinc/57/11/00/1024571100.db2.gz FKKGOMFDADXDLK-KPZWWZAWSA-N 0 0 379.420 3.863 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCOC[C@@H]1c1ccc(F)cc1 ZINC000837627760 1024595346 /nfs/dbraw/zinc/59/53/46/1024595346.db2.gz YFGCRYUQJOMNEB-OAQYLSRUSA-N 0 0 383.467 3.709 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@H]2CCOC[C@@H]2C)c(C)n1-c1ccc(Cl)cn1 ZINC000837672216 1024623716 /nfs/dbraw/zinc/62/37/16/1024623716.db2.gz CMQFQCJJDMPBAV-LRDDRELGSA-N 0 0 390.867 3.541 20 10 GHCDRN C[C@H](OC1CCCCCC1)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837706977 1024650317 /nfs/dbraw/zinc/65/03/17/1024650317.db2.gz ITEQFRRLLXWJOJ-HNNXBMFYSA-N 0 0 396.478 3.546 20 10 GHCDRN CC(C)c1nc(CC[N@H+](C)Cc2cc(Cl)cc(Br)c2[O-])no1 ZINC001141367681 1024741186 /nfs/dbraw/zinc/74/11/86/1024741186.db2.gz LYRRQCUIBZVIBI-UHFFFAOYSA-N 0 0 388.693 3.989 20 10 GHCDRN COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])[C@H]1C ZINC001141373052 1024761774 /nfs/dbraw/zinc/76/17/74/1024761774.db2.gz KVBREJAJYJFRMY-JOYOIKCWSA-N 0 0 376.678 3.582 20 10 GHCDRN CCN(CC)c1ccc(CN2CCN(c3ncccc3Cl)CC2)c(OC)c1 ZINC001138389216 1024764085 /nfs/dbraw/zinc/76/40/85/1024764085.db2.gz FVSRFXZQNOHQMN-UHFFFAOYSA-N 0 0 388.943 3.912 20 10 GHCDRN Cc1cnc(O[C@H]2CC[N@H+](Cc3cc(Cl)cc(Br)c3[O-])C2)nc1 ZINC001141377695 1024775881 /nfs/dbraw/zinc/77/58/81/1024775881.db2.gz XYUVVDDEHUGELR-ZDUSSCGKSA-N 0 0 398.688 3.560 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2c3sccc3OC(C)(C)[C@@H]2O)c(C)n1-c1ccccn1 ZINC000837966060 1024850628 /nfs/dbraw/zinc/85/06/28/1024850628.db2.gz BAMDTHSGNIVZRN-PKOBYXMFSA-N 0 0 397.500 3.554 20 10 GHCDRN Cc1cc(Br)cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1C ZINC000831932091 1025035098 /nfs/dbraw/zinc/03/50/98/1025035098.db2.gz YOQUNHAZHAUAFJ-LLVKDONJSA-N 0 0 378.266 3.838 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)Nc3ccc4c(c3)nnn4C)cc2)CC1 ZINC000831976569 1025078353 /nfs/dbraw/zinc/07/83/53/1025078353.db2.gz ZOHQCOOJQWAVPK-UHFFFAOYSA-N 0 0 378.480 3.526 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@@H](C)c2cncnc2)c(C)n1-c1ccccc1C ZINC000838383249 1025103804 /nfs/dbraw/zinc/10/38/04/1025103804.db2.gz MWTFDDJGMJDEQA-INIZCTEOSA-N 0 0 377.444 3.722 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1F ZINC000838392344 1025107603 /nfs/dbraw/zinc/10/76/03/1025107603.db2.gz UCHTXOWIYLXCGZ-YVWKXTFCSA-N 0 0 377.504 3.507 20 10 GHCDRN C[C@H](NC(=O)N(C)[C@H](CO)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000838560093 1025209633 /nfs/dbraw/zinc/20/96/33/1025209633.db2.gz ULKZNZJZWIGDHZ-IFXJQAMLSA-N 0 0 375.900 3.842 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CCCC2(CCCC2)C1 ZINC000838740019 1025339393 /nfs/dbraw/zinc/33/93/93/1025339393.db2.gz RIVGZYWTRAKDAN-UHFFFAOYSA-N 0 0 393.478 3.667 20 10 GHCDRN Cc1ccc(F)c(NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000838747714 1025343675 /nfs/dbraw/zinc/34/36/75/1025343675.db2.gz WRKDDOTWAAQVKL-UHFFFAOYSA-N 0 0 379.382 3.571 20 10 GHCDRN C[C@H](NC(=O)c1cnn(C(C)(C)C)c1Br)c1ccc(N(C)C)cc1 ZINC000832435433 1025558372 /nfs/dbraw/zinc/55/83/72/1025558372.db2.gz BEUPHLXLLNKTNN-LBPRGKRZSA-N 0 0 393.329 3.958 20 10 GHCDRN Cc1cc(N(C)Cc2ccc(N3CCCC3)cc2)n2nc(C(F)(F)F)nc2n1 ZINC001162061845 1025577286 /nfs/dbraw/zinc/57/72/86/1025577286.db2.gz HCFZISHNZWMJEV-UHFFFAOYSA-N 0 0 390.413 3.688 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cccc(Nc2ncccn2)c1 ZINC001162107154 1025608992 /nfs/dbraw/zinc/60/89/92/1025608992.db2.gz DWEMKKKQNHZHLN-QGZVFWFLSA-N 0 0 389.503 3.956 20 10 GHCDRN CC(C)CN(CC(C)C)C(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000839202759 1025720644 /nfs/dbraw/zinc/72/06/44/1025720644.db2.gz FANWLUPNYXCSEL-UHFFFAOYSA-N 0 0 387.568 3.776 20 10 GHCDRN C[C@H]1CCC[C@H](N(C)C(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000839237874 1025749415 /nfs/dbraw/zinc/74/94/15/1025749415.db2.gz ROWKDYKIMXWUTJ-RXVVDRJESA-N 0 0 385.552 3.672 20 10 GHCDRN Cc1cncc(CCC(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1 ZINC000839274575 1025771623 /nfs/dbraw/zinc/77/16/23/1025771623.db2.gz XQHHROWRTKFKDW-UHFFFAOYSA-N 0 0 379.426 3.980 20 10 GHCDRN CCOC(=O)c1cnc(Sc2ccc(S(=O)(=O)C(F)(F)F)cc2)s1 ZINC001162712681 1025887273 /nfs/dbraw/zinc/88/72/73/1025887273.db2.gz RFNYWIPLBWBMFW-UHFFFAOYSA-N 0 0 397.421 3.765 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1cc2cc(Cl)ccc2[nH]1 ZINC000839472585 1025964654 /nfs/dbraw/zinc/96/46/54/1025964654.db2.gz RXVRYQFPOIVYIO-UHFFFAOYSA-N 0 0 397.906 3.859 20 10 GHCDRN C/C(=C\C(=O)N1CCN(C(=O)OC(C)(C)C)c2ccccc21)c1cnccn1 ZINC000832876594 1026061355 /nfs/dbraw/zinc/06/13/55/1026061355.db2.gz FNYRDAUIYZHFHN-FYWRMAATSA-N 0 0 380.448 3.668 20 10 GHCDRN Cc1ccccc1[C@H](CC(F)(F)F)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000839584525 1026082221 /nfs/dbraw/zinc/08/22/21/1026082221.db2.gz VHAJQPOHYZIHCM-IBGZPJMESA-N 0 0 393.453 3.961 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1Cl ZINC000839633904 1026138879 /nfs/dbraw/zinc/13/88/79/1026138879.db2.gz MVYAKXLZQDNXQW-ZDUSSCGKSA-N 0 0 391.874 3.539 20 10 GHCDRN Cc1cc(C(=O)CN2CCC[C@@H](N3CCCC3=O)CC2)c(C)n1-c1ccccc1 ZINC000839667604 1026185017 /nfs/dbraw/zinc/18/50/17/1026185017.db2.gz UKAMEILMFPDTMX-HXUWFJFHSA-N 0 0 393.531 3.754 20 10 GHCDRN COc1ccc(N2CCN(Cc3cscc3Br)CC2)c(OC)c1 ZINC001139350545 1026221262 /nfs/dbraw/zinc/22/12/62/1026221262.db2.gz JNPOOSQTOJNCEQ-UHFFFAOYSA-N 0 0 397.338 3.850 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)C(C)(C)c3ccc(F)cc3F)C2)cc1 ZINC001461077205 1069377649 /nfs/dbraw/zinc/37/76/49/1069377649.db2.gz MXEMMOKIPDAQNF-HNNXBMFYSA-N 0 0 388.458 3.894 20 10 GHCDRN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839916753 1026344906 /nfs/dbraw/zinc/34/49/06/1026344906.db2.gz WSVHWPSWEDTKNH-FUHWJXTLSA-N 0 0 391.515 3.623 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCc1cc2ccccc2[nH]c1=O ZINC000839919714 1026346387 /nfs/dbraw/zinc/34/63/87/1026346387.db2.gz JPSOENZIORWVLG-KRWDZBQOSA-N 0 0 391.515 3.995 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1scnc1Br ZINC000839920770 1026347301 /nfs/dbraw/zinc/34/73/01/1026347301.db2.gz UAXNFHPUWXGOSZ-LLVKDONJSA-N 0 0 382.327 3.641 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+](Cc3c(F)ccc(F)c3[O-])C2)C1 ZINC001139681461 1026536081 /nfs/dbraw/zinc/53/60/81/1026536081.db2.gz RGXMPXPJTCTMKY-FQEVSTJZSA-N 0 0 382.451 3.893 20 10 GHCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001139681111 1026536099 /nfs/dbraw/zinc/53/60/99/1026536099.db2.gz IJKUCBNKUQCKLL-YMRXKLBXSA-N 0 0 378.444 3.966 20 10 GHCDRN O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)c1cnccn1 ZINC001165445221 1026729257 /nfs/dbraw/zinc/72/92/57/1026729257.db2.gz HBPZTFBYDRMTCZ-UHFFFAOYSA-N 0 0 376.441 3.956 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001139974463 1026771450 /nfs/dbraw/zinc/77/14/50/1026771450.db2.gz CWHSEJCTMZPZQX-QWHCGFSZSA-N 0 0 382.204 3.853 20 10 GHCDRN Oc1ccc(F)cc1CN1CCc2c(c(COCC3CC3)nn2CC2CC2)C1 ZINC001140063269 1026842119 /nfs/dbraw/zinc/84/21/19/1026842119.db2.gz PKERHHDYWKUVGU-UHFFFAOYSA-N 0 0 385.483 3.623 20 10 GHCDRN Oc1cccc2c1CN(Cc1c(F)cccc1I)CC2 ZINC001140089515 1026867443 /nfs/dbraw/zinc/86/74/43/1026867443.db2.gz FPZWDLDQOMHPQS-UHFFFAOYSA-N 0 0 383.204 3.694 20 10 GHCDRN Oc1cccc(Br)c1CN1CCN(c2ccc(F)cc2F)CC1 ZINC001140101613 1026880608 /nfs/dbraw/zinc/88/06/08/1026880608.db2.gz ZGYJFKRGBNRKRZ-UHFFFAOYSA-N 0 0 383.236 3.755 20 10 GHCDRN Cc1cc(C(=O)Cn2nc(Cl)sc2=O)c(C)n1-c1ccc2c(c1)CCC2 ZINC001165985810 1026885887 /nfs/dbraw/zinc/88/58/87/1026885887.db2.gz YKKDVLLGQMSSPV-UHFFFAOYSA-N 0 0 387.892 3.737 20 10 GHCDRN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CC[C@H]1C1CC1 ZINC000834314226 1026922217 /nfs/dbraw/zinc/92/22/17/1026922217.db2.gz BSHQHQTYUGRCRC-XFNCEPBJSA-N 0 0 392.571 3.740 20 10 GHCDRN COC(=O)c1cnc(SC[C@H](O)Cc2ccc(C(F)(F)F)cc2)s1 ZINC000834382617 1026962523 /nfs/dbraw/zinc/96/25/23/1026962523.db2.gz OGWIZNXLGGJDHI-LLVKDONJSA-N 0 0 377.409 3.644 20 10 GHCDRN Cc1ncsc1C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC001461177377 1069428090 /nfs/dbraw/zinc/42/80/90/1069428090.db2.gz HDXUPDGYACNIHK-UHFFFAOYSA-N 0 0 392.116 3.972 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001166816435 1027093224 /nfs/dbraw/zinc/09/32/24/1027093224.db2.gz XVUJFGHSPLUOJI-UHFFFAOYSA-N 0 0 389.415 3.601 20 10 GHCDRN Cc1ccc(S(=O)(=O)N(c2ccc(N)cc2)c2ccc3[nH]nc(N)c3c2)cc1 ZINC001209862580 1027251848 /nfs/dbraw/zinc/25/18/48/1027251848.db2.gz KOIKVNCDTVNLMY-UHFFFAOYSA-N 0 0 393.472 3.563 20 10 GHCDRN C[C@H]1CN(CCSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)CCO1 ZINC000840157432 1027291916 /nfs/dbraw/zinc/29/19/16/1027291916.db2.gz VDPINSADINCXMW-PKOBYXMFSA-N 0 0 387.549 3.542 20 10 GHCDRN O=C(c1ccccn1)c1cc(Cl)ccc1Nc1ccc2c(c1)CCNC2=O ZINC001210165071 1027369197 /nfs/dbraw/zinc/36/91/97/1027369197.db2.gz YEQWXSABQAKJHF-UHFFFAOYSA-N 0 0 377.831 3.996 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H](c1nc(C2CC2)no1)C(C)C ZINC000840287795 1027414521 /nfs/dbraw/zinc/41/45/21/1027414521.db2.gz ZWRUYRSDDPBMRN-KXBFYZLASA-N 0 0 399.539 3.949 20 10 GHCDRN Cc1c(NCc2ccc(N(C)C)c(F)c2)nnn1CCOc1ccc(F)cc1 ZINC001203542178 1027418659 /nfs/dbraw/zinc/41/86/59/1027418659.db2.gz URXZUZMXPCBWRQ-UHFFFAOYSA-N 0 0 387.434 3.622 20 10 GHCDRN O=C1NC[C@H](c2ccccc2)[C@]12CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001203575529 1027445003 /nfs/dbraw/zinc/44/50/03/1027445003.db2.gz QNKSQNPPKMFVKP-OXQOHEQNSA-N 0 0 391.298 3.805 20 10 GHCDRN COc1cccc(CN2CCn3c(COCC4CCCC4)cnc3[C@H]2C)c1O ZINC001203593073 1027457831 /nfs/dbraw/zinc/45/78/31/1027457831.db2.gz YKFBPZOKXGOLOM-MRXNPFEDSA-N 0 0 385.508 3.881 20 10 GHCDRN CCOc1cccc(CN2CCn3c(COc4cccnc4)cnc3[C@H]2C)c1O ZINC001203609545 1027473305 /nfs/dbraw/zinc/47/33/05/1027473305.db2.gz GQSLCUSCQYWAEQ-MRXNPFEDSA-N 0 0 394.475 3.538 20 10 GHCDRN C[C@H](NC(=O)N1CC[C@]2(C1)CC(=O)c1ccccc1O2)c1ccc(N(C)C)cc1 ZINC000840355245 1027476391 /nfs/dbraw/zinc/47/63/91/1027476391.db2.gz ZIKJZVCHXWRUOX-QMHKHESXSA-N 0 0 393.487 3.633 20 10 GHCDRN CCOC(=O)[C@H]1c2ccc(Cl)cc2CCN1Cc1ccc(OC)cc1O ZINC001203635204 1027494267 /nfs/dbraw/zinc/49/42/67/1027494267.db2.gz OONZOKXDFYHPMX-LJQANCHMSA-N 0 0 375.852 3.717 20 10 GHCDRN Oc1ccc(Br)cc1CN1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001203645542 1027501114 /nfs/dbraw/zinc/50/11/14/1027501114.db2.gz MDNPELQFFADTPZ-LPHOPBHVSA-N 0 0 387.321 3.861 20 10 GHCDRN O=C(Nc1ccccc1)C1=NO[C@]2(C1)CCCN(Cc1cc(Cl)ccc1O)C2 ZINC001203657113 1027511362 /nfs/dbraw/zinc/51/13/62/1027511362.db2.gz FACTWSTZQLPNGD-NRFANRHFSA-N 0 0 399.878 3.795 20 10 GHCDRN Oc1ccc(Cl)cc1CN1CCO[C@H]2[C@H]1CC[C@H]2COCc1cccnc1 ZINC001203658801 1027514900 /nfs/dbraw/zinc/51/49/00/1027514900.db2.gz PBHBDZPRVDHKBV-LDQXTDLNSA-N 0 0 388.895 3.637 20 10 GHCDRN Oc1ccc(Cl)cc1CN1CCCn2cnc(COCc3ccco3)c2C1 ZINC001203659093 1027516703 /nfs/dbraw/zinc/51/67/03/1027516703.db2.gz RNSGXIAJXKFLNG-UHFFFAOYSA-N 0 0 387.867 3.958 20 10 GHCDRN COc1ccc(O)c(CN2Cc3ncn(CC4CC4)c3[C@@H](COCC3CC3)C2)c1 ZINC001203671533 1027521591 /nfs/dbraw/zinc/52/15/91/1027521591.db2.gz QRWYQSSPFODLTK-LJQANCHMSA-N 0 0 397.519 3.533 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+]CCCc2nnc3n2CCCCC3)c1 ZINC001461255284 1069463876 /nfs/dbraw/zinc/46/38/76/1069463876.db2.gz RCWIGYAPPFFHBM-UHFFFAOYSA-N 0 0 393.329 3.503 20 10 GHCDRN NC(=O)Cc1cccc(C(=O)c2ccccc2)c1Nc1ccc2cncnc2c1 ZINC001203707683 1027546276 /nfs/dbraw/zinc/54/62/76/1027546276.db2.gz JFQGGIQWZRAPNY-UHFFFAOYSA-N 0 0 382.423 3.632 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@H](Cc2ccncc2)C1 ZINC000840478727 1027563428 /nfs/dbraw/zinc/56/34/28/1027563428.db2.gz BRGODEBWHHPKBA-UYAOXDASSA-N 0 0 380.536 3.661 20 10 GHCDRN CCN(C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)[C@@H]1CCOC(C)(C)C1 ZINC000840486076 1027570390 /nfs/dbraw/zinc/57/03/90/1027570390.db2.gz YIIDCARTTZIAJQ-FXAWDEMLSA-N 0 0 375.557 3.981 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC2(CCOCC2)[C@H]1C1CC1 ZINC000840485999 1027570540 /nfs/dbraw/zinc/57/05/40/1027570540.db2.gz XXIOXLDYVBACDM-DYESRHJHSA-N 0 0 385.552 3.593 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000840554836 1027613253 /nfs/dbraw/zinc/61/32/53/1027613253.db2.gz CQWYGDVOBUGFCM-VLCRHTCISA-N 0 0 399.579 3.537 20 10 GHCDRN CCc1[nH]nc2ncc(Nc3c(N)ccc4c3C(=O)c3ccccc3C4=O)cc21 ZINC001210883795 1027692775 /nfs/dbraw/zinc/69/27/75/1027692775.db2.gz AKISCBYTNSLZDX-UHFFFAOYSA-N 0 0 383.411 3.622 20 10 GHCDRN COCc1cncc(N(c2ccc(N)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC001211078937 1027777795 /nfs/dbraw/zinc/77/77/95/1027777795.db2.gz WNPBCDWNCHLKKJ-UHFFFAOYSA-N 0 0 383.473 3.646 20 10 GHCDRN C[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1cc(F)cc(F)c1[O-] ZINC000840760062 1027799036 /nfs/dbraw/zinc/79/90/36/1027799036.db2.gz QSCUJBPGNGTMII-NSHDSACASA-N 0 0 384.373 3.636 20 10 GHCDRN Nc1ccc(OCCOc2ccc(NC3=CCN(C(=O)C4CC4)CC3)cc2)cc1 ZINC001211184291 1027828031 /nfs/dbraw/zinc/82/80/31/1027828031.db2.gz OQSXFCWTMAUFPY-UHFFFAOYSA-N 0 0 393.487 3.665 20 10 GHCDRN FC(F)(F)Oc1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC001204057108 1027844931 /nfs/dbraw/zinc/84/49/31/1027844931.db2.gz VVKPBHXWGOYCCM-UHFFFAOYSA-N 0 0 380.366 3.636 20 10 GHCDRN COc1cc(CN[C@@H](C(N)=O)c2ccc(Cl)cc2)c(O)c(C(C)(C)C)c1 ZINC001204058128 1027845156 /nfs/dbraw/zinc/84/51/56/1027845156.db2.gz WNRPHFHSAOFFBN-QGZVFWFLSA-N 0 0 376.884 3.668 20 10 GHCDRN C[C@@H](NCc1nccc(C(F)(F)F)n1)c1cc(Br)ccc1O ZINC000840868900 1027905823 /nfs/dbraw/zinc/90/58/23/1027905823.db2.gz FXIFETNWALQBIM-MRVPVSSYSA-N 0 0 376.176 3.814 20 10 GHCDRN CCOC(=O)COc1ccc(Nc2ccccc2C(=O)c2ccncc2)cc1 ZINC001211424030 1027953338 /nfs/dbraw/zinc/95/33/38/1027953338.db2.gz SSPJXZFSRINKJG-UHFFFAOYSA-N 0 0 376.412 3.998 20 10 GHCDRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NCc2ccc(N(C)C)cc2C)c1 ZINC000840931530 1027964808 /nfs/dbraw/zinc/96/48/08/1027964808.db2.gz MRNKESUXLZYHGP-KRWDZBQOSA-N 0 0 389.565 3.891 20 10 GHCDRN COC(=O)c1cncc(Nc2ccc(NC(=O)Nc3ccc(N)cc3)cc2)c1 ZINC001211467521 1027974101 /nfs/dbraw/zinc/97/41/01/1027974101.db2.gz ANLMUUFUTYAYCD-UHFFFAOYSA-N 0 0 377.404 3.838 20 10 GHCDRN CO[C@@H](CS(=O)(=O)NCc1cc(C)n(-c2ccccc2)c1C)c1ccccc1 ZINC001213351909 1028129654 /nfs/dbraw/zinc/12/96/54/1028129654.db2.gz PDDSEJUZVYKQEQ-QFIPXVFZSA-N 0 0 398.528 3.901 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccnc(N3CCC[C@H](C)C3)c2)cc1 ZINC001461335997 1069505735 /nfs/dbraw/zinc/50/57/35/1069505735.db2.gz GKPFNEUAKTWUNH-SFHVURJKSA-N 0 0 396.535 3.535 20 10 GHCDRN CCn1ncc(C(=O)N(C)CCN(C)c2ccc(OC)cc2)c1-c1ccccc1 ZINC001461333207 1069504763 /nfs/dbraw/zinc/50/47/63/1069504763.db2.gz AYFSRSCWBSEGAY-UHFFFAOYSA-N 0 0 392.503 3.787 20 10 GHCDRN CC(C)(CO)n1cc(Nc2ccc(NC(=O)Nc3ccc(N)cc3)cc2)cn1 ZINC001213417355 1028178478 /nfs/dbraw/zinc/17/84/78/1028178478.db2.gz LUVCSTOZBFVHRH-UHFFFAOYSA-N 0 0 380.452 3.580 20 10 GHCDRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)NCCc1ccc(N)cc1 ZINC000841210355 1028287140 /nfs/dbraw/zinc/28/71/40/1028287140.db2.gz VXVODPRHNZNZGN-CYBMUJFWSA-N 0 0 377.872 3.700 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@H](C(=O)N(C)C)C2)c(C)n1-c1cccc(C(C)C)c1 ZINC001142169589 1028288743 /nfs/dbraw/zinc/28/87/43/1028288743.db2.gz FACRGBIWEQLEON-IBGZPJMESA-N 0 0 381.520 3.768 20 10 GHCDRN CC(C)(C)C[C@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC001461358617 1069517487 /nfs/dbraw/zinc/51/74/87/1069517487.db2.gz REQAJFKWCKPURK-LLVKDONJSA-N 0 0 395.135 3.804 20 10 GHCDRN Nc1ccc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC000841301359 1028395708 /nfs/dbraw/zinc/39/57/08/1028395708.db2.gz MLOPOGQDBVZJAR-AWEZNQCLSA-N 0 0 381.411 3.869 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3ccc4c(c3)CCCN4)CC2)cc1F ZINC000841302986 1028395730 /nfs/dbraw/zinc/39/57/30/1028395730.db2.gz IEHWSTIURPVZFC-UHFFFAOYSA-N 0 0 384.455 3.547 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1c(C(F)(F)F)nc2ccccn21 ZINC000841381415 1028539635 /nfs/dbraw/zinc/53/96/35/1028539635.db2.gz LAFBBVBVISQISV-UHFFFAOYSA-N 0 0 388.393 3.883 20 10 GHCDRN COc1ccc(O)c(CNC(=O)c2nn(-c3ccccc3F)c3c2CCCC3)c1 ZINC000841403542 1028577283 /nfs/dbraw/zinc/57/72/83/1028577283.db2.gz BXJIYMUGLXRDGS-UHFFFAOYSA-N 0 0 395.434 3.534 20 10 GHCDRN C[C@H](C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1)[C@@H](C)S(C)(=O)=O ZINC000841418164 1028597161 /nfs/dbraw/zinc/59/71/61/1028597161.db2.gz XRYLZDIFOAJXJH-YESZJQIVSA-N 0 0 389.517 3.551 20 10 GHCDRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C\c2cccc(S(C)(=O)=O)c2)SC1=S ZINC000841495869 1028696714 /nfs/dbraw/zinc/69/67/14/1028696714.db2.gz JXALYHSZAFFIHW-VDEMLFSASA-N 0 0 395.571 3.870 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC001214383545 1028708183 /nfs/dbraw/zinc/70/81/83/1028708183.db2.gz NGMHNWRLQHDEAK-UHFFFAOYSA-N 0 0 375.375 3.930 20 10 GHCDRN CC(=O)N(C)c1ccc(NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cc1 ZINC000841603701 1028769511 /nfs/dbraw/zinc/76/95/11/1028769511.db2.gz SQOOJEZRGVHDFL-INIZCTEOSA-N 0 0 382.508 3.796 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000841671033 1028817719 /nfs/dbraw/zinc/81/77/19/1028817719.db2.gz QTYZUBHEXNQARD-FXAWDEMLSA-N 0 0 397.519 3.981 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2cnc(SC)nc2Cl)C1 ZINC001142426750 1028877792 /nfs/dbraw/zinc/87/77/92/1028877792.db2.gz BKNDNOZMCHXLLF-UHFFFAOYSA-N 0 0 388.924 3.911 20 10 GHCDRN COc1cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(Cl)c(OC)c1 ZINC000841732071 1028892850 /nfs/dbraw/zinc/89/28/50/1028892850.db2.gz PRNOURDVVXIYGA-SNVBAGLBSA-N 0 0 380.828 3.521 20 10 GHCDRN C[C@H](COc1ccccc1C(F)(F)F)NC(=O)NCCc1ccc(N)cc1 ZINC000841736049 1028896064 /nfs/dbraw/zinc/89/60/64/1028896064.db2.gz ZOKRETNXHUKTOF-CYBMUJFWSA-N 0 0 381.398 3.597 20 10 GHCDRN CCOc1ccc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c(F)c1 ZINC000841783462 1028934237 /nfs/dbraw/zinc/93/42/37/1028934237.db2.gz CVONCWBZEIXVHU-UHFFFAOYSA-N 0 0 391.418 3.726 20 10 GHCDRN C[C@@H]1CC[C@](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)(CC(=O)[O-])C1 ZINC000841793660 1028938875 /nfs/dbraw/zinc/93/88/75/1028938875.db2.gz OJEHNFQKBMNHSY-IIBYNOLFSA-N 0 0 389.496 3.956 20 10 GHCDRN CC(C)(C)[C@H](C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CC(=O)[O-] ZINC000841794179 1028941154 /nfs/dbraw/zinc/94/11/54/1028941154.db2.gz VAUFNCDUUAVCPB-INIZCTEOSA-N 0 0 377.485 3.812 20 10 GHCDRN CCC[C@H](C)C[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000841802608 1028948980 /nfs/dbraw/zinc/94/89/80/1028948980.db2.gz KVUZVRVLNFWRBK-RDJZCZTQSA-N 0 0 377.485 3.954 20 10 GHCDRN CN1CCCc2cc(CNC(=O)c3nc(C(F)(F)F)n4ccccc34)ccc21 ZINC001142465743 1028971633 /nfs/dbraw/zinc/97/16/33/1028971633.db2.gz OYTBKJRPHBOACI-UHFFFAOYSA-N 0 0 388.393 3.666 20 10 GHCDRN Cc1ccc(CNC(=O)NCCc2ccc(N)cc2)c(OCC(F)(F)F)c1 ZINC000841853209 1028977751 /nfs/dbraw/zinc/97/77/51/1028977751.db2.gz NNSQQKVMUJIYLF-UHFFFAOYSA-N 0 0 381.398 3.560 20 10 GHCDRN Nc1cccc(C2CCN(C(=O)NCCCSc3nccs3)CC2)c1 ZINC000841857176 1028978627 /nfs/dbraw/zinc/97/86/27/1028978627.db2.gz NLZZSEMIIWZVLY-UHFFFAOYSA-N 0 0 376.551 3.797 20 10 GHCDRN Nc1ccc(CCNC(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)cc1 ZINC000841902048 1028994972 /nfs/dbraw/zinc/99/49/72/1028994972.db2.gz PJNVRBHNHOKRGK-HXUWFJFHSA-N 0 0 387.911 3.932 20 10 GHCDRN COCC[C@H](NC(=O)NCCc1ccc(N)cc1)c1cccc(C(F)(F)F)c1 ZINC000841912594 1028996614 /nfs/dbraw/zinc/99/66/14/1028996614.db2.gz MOSCYPMDRVDWIQ-SFHVURJKSA-N 0 0 395.425 3.907 20 10 GHCDRN CCOc1cc(CN(C)C(=O)NCCc2ccc(N)cc2)ccc1OC(F)F ZINC000841961250 1029015531 /nfs/dbraw/zinc/01/55/31/1029015531.db2.gz DIQQQCHTIJNJGC-UHFFFAOYSA-N 0 0 393.434 3.653 20 10 GHCDRN CN(Cc1ccco1)Cc1cncc2c1CCN(Cc1cc(F)c(F)cc1O)C2 ZINC001142517429 1029022184 /nfs/dbraw/zinc/02/21/84/1029022184.db2.gz MVDIFGMOACRDDO-UHFFFAOYSA-N 0 0 399.441 3.849 20 10 GHCDRN Oc1cc(-c2nc(-c3cc(Cl)ccc3Br)no2)cc(O)c1O ZINC001215327847 1029156189 /nfs/dbraw/zinc/15/61/89/1029156189.db2.gz WMRDFGSVVXQNBE-UHFFFAOYSA-N 0 0 383.585 3.936 20 10 GHCDRN C[C@@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c2ccccc2O1 ZINC000842252323 1029168696 /nfs/dbraw/zinc/16/86/96/1029168696.db2.gz FMPBGOMOFLJLDJ-MLGOLLRUSA-N 0 0 386.835 3.722 20 10 GHCDRN CCc1oc2ccccc2c1CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001461495842 1069577114 /nfs/dbraw/zinc/57/71/14/1069577114.db2.gz NEJCGEHHZPILSZ-MRXNPFEDSA-N 0 0 378.472 3.941 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)CC[C@H]1CCc2ccccc21 ZINC001142689844 1029272970 /nfs/dbraw/zinc/27/29/70/1029272970.db2.gz DAKGMVHQVXDUSV-GOSISDBHSA-N 0 0 381.472 3.794 20 10 GHCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2coc(C(C)(C)C)n2)cc1 ZINC001142713154 1029314096 /nfs/dbraw/zinc/31/40/96/1029314096.db2.gz PYLRZERALFXPMV-SFHVURJKSA-N 0 0 385.508 3.860 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)C3(c4cccnc4)CCCC3)C2)cc1 ZINC000842872599 1029648389 /nfs/dbraw/zinc/64/83/89/1029648389.db2.gz BNPUKZYZDYWROT-GOSISDBHSA-N 0 0 380.488 3.972 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)C[C@H]3CCO[C@H](C(C)C)C3)C2)cc1 ZINC000842874982 1029652598 /nfs/dbraw/zinc/65/25/98/1029652598.db2.gz IXYKQMXCPUITHI-WFXMLNOXSA-N 0 0 375.509 3.906 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3scnc3Br)C2)cc1 ZINC000842875701 1029652818 /nfs/dbraw/zinc/65/28/18/1029652818.db2.gz OJVVZENTKUXZMG-NSHDSACASA-N 0 0 397.294 3.598 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)Cc3cccc([N+](=O)[O-])c3C)C2)cc1 ZINC000842876233 1029653892 /nfs/dbraw/zinc/65/38/92/1029653892.db2.gz RKDVGXUFROJYKL-INIZCTEOSA-N 0 0 384.432 3.524 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)c3cccc(N4CCCC4=O)c3)C2)cc1 ZINC000842877590 1029654691 /nfs/dbraw/zinc/65/46/91/1029654691.db2.gz FNUODBJQPIHMCA-QGZVFWFLSA-N 0 0 394.471 3.505 20 10 GHCDRN CCC(=O)Nc1cccc(C(=O)OC[C@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000842877637 1029654776 /nfs/dbraw/zinc/65/47/76/1029654776.db2.gz GXRRGYVJCXLXKY-INIZCTEOSA-N 0 0 382.460 3.727 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@H](C)OCc3cccc(OC)c3)C2)cc1 ZINC000842879011 1029657158 /nfs/dbraw/zinc/65/71/58/1029657158.db2.gz PIXVSTZFKBHMJC-PKOBYXMFSA-N 0 0 399.487 3.679 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1cc(Br)cc(Cl)c1[O-] ZINC000842887331 1029663160 /nfs/dbraw/zinc/66/31/60/1029663160.db2.gz YMSROECVFVQKLJ-TVQRCGJNSA-N 0 0 389.721 3.858 20 10 GHCDRN Cc1ncsc1-c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCCCO1 ZINC000843038939 1029778780 /nfs/dbraw/zinc/77/87/80/1029778780.db2.gz PUACLJBCCCVHRM-INIZCTEOSA-N 0 0 399.520 3.621 20 10 GHCDRN CC(C)(C)c1cc(C[NH2+]CC2(C(=O)[O-])CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000843040760 1029781696 /nfs/dbraw/zinc/78/16/96/1029781696.db2.gz XVMWPYTUTAMRFR-UHFFFAOYSA-N 0 0 377.525 3.958 20 10 GHCDRN CC(C)(C)O[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C12CCC2 ZINC001222190967 1029995537 /nfs/dbraw/zinc/99/55/37/1029995537.db2.gz BXLYUDVPGAFHLV-VQTJNVASSA-N 0 0 383.536 3.988 20 10 GHCDRN COc1cc(-c2nc(-c3cccc(Br)c3F)no2)cc(O)c1O ZINC001216944818 1030018433 /nfs/dbraw/zinc/01/84/33/1030018433.db2.gz YLIJRPMZYCTCSC-UHFFFAOYSA-N 0 0 381.157 3.725 20 10 GHCDRN COc1cc(-c2noc(-c3ccc(O)c(O)c3Cl)n2)ccc1-n1cnc(C)c1 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/nfs/dbraw/zinc/04/28/36/1068042836.db2.gz AZJROHHWZQDHCS-MRXNPFEDSA-N 0 0 387.501 3.606 20 10 GHCDRN CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccc3cccnc3c2O)nc1 ZINC001469247553 1068058011 /nfs/dbraw/zinc/05/80/11/1068058011.db2.gz BVAWWQYYVUJXRQ-UHFFFAOYSA-N 0 0 394.431 3.612 20 10 GHCDRN NC(=O)N=Nc1ccc(C(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)cc1 ZINC001469249722 1068060895 /nfs/dbraw/zinc/06/08/95/1068060895.db2.gz PAGFWNLTWWPEAN-UHFFFAOYSA-N 0 0 385.449 3.995 20 10 GHCDRN C[C@@H](C(=O)NCc1cccc(Br)c1O)c1ccc([N+](=O)[O-])cc1F ZINC000765753858 1068120918 /nfs/dbraw/zinc/12/09/18/1068120918.db2.gz RCNDZZVATLIPQW-SECBINFHSA-N 0 0 397.200 3.622 20 10 GHCDRN O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000766035197 1068131872 /nfs/dbraw/zinc/13/18/72/1068131872.db2.gz UMEXJPQPZRRDKZ-XFFZJAGNSA-N 0 0 398.762 3.811 20 10 GHCDRN Cc1ccc(C(=O)NCCCCc2nc(-c3ccccn3)cs2)c(O)c1O ZINC001469547695 1068217088 /nfs/dbraw/zinc/21/70/88/1068217088.db2.gz YVBKNXWJPDAJLG-UHFFFAOYSA-N 0 0 383.473 3.677 20 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/nfs/dbraw/zinc/85/96/95/1068859695.db2.gz HNBYYXOZHQYYIS-UHFFFAOYSA-N 0 0 387.534 3.935 20 10 GHCDRN COc1ccc(N(C)CCN(C)Cc2ccn(-c3ccc(F)cc3F)n2)cc1 ZINC001460332963 1068929655 /nfs/dbraw/zinc/92/96/55/1068929655.db2.gz DQZWLDNXBNGGTB-UHFFFAOYSA-N 0 0 386.446 3.727 20 10 GHCDRN C/C(=C\c1cccnc1)C(=O)N1CCOc2cc(F)c(Br)cc21 ZINC001460437257 1068964913 /nfs/dbraw/zinc/96/49/13/1068964913.db2.gz XEPNLTCUWQRNRR-YRNVUSSQSA-N 0 0 377.213 3.812 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](C)[C@](C)(OC)C2CC2)CCCC1 ZINC001460904535 1069265489 /nfs/dbraw/zinc/26/54/89/1069265489.db2.gz MXUGMJWSRUMFBL-CMJOXMDJSA-N 0 0 384.520 3.849 20 10 GHCDRN CCOC(=O)Cc1cccc(N(C)Cc2cc(Cl)cc(C(C)=O)c2O)c1 ZINC001460932982 1069282796 /nfs/dbraw/zinc/28/27/96/1069282796.db2.gz YFOVWQFIELZOEO-UHFFFAOYSA-N 0 0 375.852 3.990 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)NC[C@@H]3C[C@@H]3Cc3ccccc3)C2)cc1 ZINC001470592244 1072638665 /nfs/dbraw/zinc/63/86/65/1072638665.db2.gz ARZGNRGVAIAZLH-HKBOAZHASA-N 0 0 393.531 3.700 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N3CCS[C@@H](c4ccccc4)C3)C2)cc1 ZINC001470772806 1072729689 /nfs/dbraw/zinc/72/96/89/1072729689.db2.gz MWSPLDBJVIWQTH-GHTZIAJQSA-N 0 0 397.544 3.774 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N(C)[C@H](C)Cc3ccc(C)cc3)C2)cc1 ZINC001470773937 1072730762 /nfs/dbraw/zinc/73/07/62/1072730762.db2.gz RZHYJHPCECVSRP-QUCCMNQESA-N 0 0 381.520 3.855 20 10 GHCDRN CC(=O)NC[C@H]1CCCCN1C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC001470789156 1072741162 /nfs/dbraw/zinc/74/11/62/1072741162.db2.gz BSQCABSDHIYNGN-LJQANCHMSA-N 0 0 387.911 3.878 20 10 GHCDRN Cc1cc(CCNC(=O)[C@@](C)(O)c2ccc(F)cc2)c(C)n1-c1ccccc1 ZINC001470849516 1072769115 /nfs/dbraw/zinc/76/91/15/1072769115.db2.gz HMPXJRRHIUDZPZ-QHCPKHFHSA-N 0 0 380.463 3.800 20 10 GHCDRN COc1ccc(N2CCN(C(=O)NC[C@@H](c3ccccc3)C3CC3)CC2)cc1F ZINC001478722209 1078966340 /nfs/dbraw/zinc/96/63/40/1078966340.db2.gz LLTONEQMPVRVBC-FQEVSTJZSA-N 0 0 397.494 3.860 20 10 GHCDRN Cc1cc(CCNC(=O)N(C)C[C@H]2CCCC[C@H]2O)c(C)n1-c1ccccc1 ZINC001470968933 1072855810 /nfs/dbraw/zinc/85/58/10/1072855810.db2.gz MPWUGEDRLSWUEP-IFMALSPDSA-N 0 0 383.536 3.829 20 10 GHCDRN C[C@H](NC(=O)N[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC001470993963 1072872315 /nfs/dbraw/zinc/87/23/15/1072872315.db2.gz ICPVPJHZWIFWMC-ILXRZTDVSA-N 0 0 377.485 3.540 20 10 GHCDRN Cc1cc(CNC(=O)N[C@@H](CO)c2ccccc2)c(C)n1-c1cccc(C)c1 ZINC001471032976 1072893455 /nfs/dbraw/zinc/89/34/55/1072893455.db2.gz BEVPTCCGCHIJFJ-QFIPXVFZSA-N 0 0 377.488 3.935 20 10 GHCDRN Cc1cc(CNC(=O)NCCNc2cccc(C)n2)c(C)n1-c1ccccc1 ZINC001471036372 1072896501 /nfs/dbraw/zinc/89/65/01/1072896501.db2.gz ATXXHXGHEGVSNX-UHFFFAOYSA-N 0 0 377.492 3.709 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N3CCc4cc(F)ccc4[C@@H]3C)C2)cc1 ZINC001478956833 1079038472 /nfs/dbraw/zinc/03/84/72/1079038472.db2.gz JJICYBJTASRCEV-YJBOKZPZSA-N 0 0 383.467 3.742 20 10 GHCDRN Cc1ccc(C(=O)NCc2cccc(O)c2O)cc1NC(=O)c1ccccc1 ZINC001471644767 1073168074 /nfs/dbraw/zinc/16/80/74/1073168074.db2.gz YMULSDMEOLNUGC-UHFFFAOYSA-N 0 0 376.412 3.589 20 10 GHCDRN CCOC(=O)[C@H](COC)NC(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C ZINC001471866350 1073236418 /nfs/dbraw/zinc/23/64/18/1073236418.db2.gz LYXLZVPOFGCYSD-FQEVSTJZSA-N 0 0 386.492 3.525 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@H](C(F)(F)F)C2)CCCC1 ZINC001472075461 1073326685 /nfs/dbraw/zinc/32/66/85/1073326685.db2.gz UUJFGRQHODAFAS-ZDUSSCGKSA-N 0 0 380.410 3.940 20 10 GHCDRN Cc1cc(CCNC(=O)NCCc2ccccc2O)c(C)n1-c1ccccc1 ZINC001479064594 1079088957 /nfs/dbraw/zinc/08/89/57/1079088957.db2.gz UFWCIDUVZCNAEK-UHFFFAOYSA-N 0 0 377.488 3.884 20 10 GHCDRN Cc1cc(CNC(=O)NCCC(=O)N2CCC[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC001479102996 1079104362 /nfs/dbraw/zinc/10/43/62/1079104362.db2.gz POEULHDOBCMJBZ-QGZVFWFLSA-N 0 0 396.535 3.542 20 10 GHCDRN Cc1cc(CNC(=O)N[C@H](C)C(=O)Nc2ccccc2)c(C)n1-c1ccccc1 ZINC001479099774 1079102530 /nfs/dbraw/zinc/10/25/30/1079102530.db2.gz ORZSNBHCMLKGAW-QGZVFWFLSA-N 0 0 390.487 3.921 20 10 GHCDRN COc1ccc(N(C)CCN(C)c2cc(OC)c([N+](=O)[O-])cc2Cl)cc1 ZINC001472823514 1073682629 /nfs/dbraw/zinc/68/26/29/1073682629.db2.gz DWSXVVFJJWCCCO-UHFFFAOYSA-N 0 0 379.844 3.838 20 10 GHCDRN CCn1c(-c2ccc(Br)cc2)cnc1SC[C@H]1CCN(C)C1=O ZINC001472952447 1073733397 /nfs/dbraw/zinc/73/33/97/1073733397.db2.gz QIGKLIRYQCZQMG-CYBMUJFWSA-N 0 0 394.338 3.903 20 10 GHCDRN COc1ccc(N(CC(=O)N(C)CC(=O)Nc2ccc(C)cc2)CC(C)C)cc1 ZINC001473560253 1074016243 /nfs/dbraw/zinc/01/62/43/1074016243.db2.gz SZPUMLZRQSBWHV-UHFFFAOYSA-N 0 0 397.519 3.563 20 10 GHCDRN COc1ccc(N(C)CCN(C)CC(=O)Nc2cccc3ccccc32)cc1 ZINC001473610352 1074047030 /nfs/dbraw/zinc/04/70/30/1074047030.db2.gz NHNCIVGMVFRGKX-UHFFFAOYSA-N 0 0 377.488 3.855 20 10 GHCDRN C[C@H](NCc1noc(Cc2ccc(Br)cc2)n1)c1ccccc1O ZINC001473722687 1074107276 /nfs/dbraw/zinc/10/72/76/1074107276.db2.gz LWPMVOJIHGNRRN-LBPRGKRZSA-N 0 0 388.265 3.979 20 10 GHCDRN CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C2)c1O ZINC001473862470 1074180093 /nfs/dbraw/zinc/18/00/93/1074180093.db2.gz HQFNKIZRXDOPKD-PHIMTYICSA-N 0 0 378.822 3.705 20 10 GHCDRN COc1cccc2c1OC[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC001473979029 1074224067 /nfs/dbraw/zinc/22/40/67/1074224067.db2.gz JXTIWPBVWXHEMQ-CYBMUJFWSA-N 0 0 398.684 3.910 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NC[C@@H]3C[C@@H]3Cc3ccccc3)CC2)cc1 ZINC001479571060 1079231986 /nfs/dbraw/zinc/23/19/86/1079231986.db2.gz ILVQDAKGXHLKRY-SFTDATJTSA-N 0 0 393.531 3.796 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H](CC(N)=O)c2ccc(Cl)cc2)c1 ZINC001474091212 1074260334 /nfs/dbraw/zinc/26/03/34/1074260334.db2.gz YQWAUFHCQHWPJD-OAHLLOKOSA-N 0 0 397.700 3.823 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](NCc2ccc3c(c2)CCCO3)C1 ZINC001474148996 1074277683 /nfs/dbraw/zinc/27/76/83/1074277683.db2.gz IBCBVHLONTXDSM-QGZVFWFLSA-N 0 0 382.451 3.746 20 10 GHCDRN CN(C1CC1)S(=O)(=O)c1ccc(NCc2c(O)ccc(Cl)c2F)cc1 ZINC001474262529 1074316113 /nfs/dbraw/zinc/31/61/13/1074316113.db2.gz VNHZHKIGFNAAIE-UHFFFAOYSA-N 0 0 384.860 3.580 20 10 GHCDRN O=[N+]([O-])c1cc(CN[C@@H](CO)c2cc(F)ccc2F)ccc1N1CCCCC1 ZINC001474297950 1074329802 /nfs/dbraw/zinc/32/98/02/1074329802.db2.gz KLKSXUIYJRUMJE-SFHVURJKSA-N 0 0 391.418 3.687 20 10 GHCDRN COc1ccc(CN2CCc3c(F)cc(Br)cc3C2)c(O)c1OC ZINC001474354229 1074358872 /nfs/dbraw/zinc/35/88/72/1074358872.db2.gz NFVPNENOYDHIJC-UHFFFAOYSA-N 0 0 396.256 3.869 20 10 GHCDRN [O-]c1c(Br)cccc1C[NH2+]Cc1cc(Br)cnc1F ZINC001474495237 1074432288 /nfs/dbraw/zinc/43/22/88/1074432288.db2.gz HCEHZEKMWAZBGM-UHFFFAOYSA-N 0 0 390.050 3.741 20 10 GHCDRN CC(C)[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])ONC(=O)OC(C)(C)C ZINC001474586540 1074472635 /nfs/dbraw/zinc/47/26/35/1074472635.db2.gz FSCOIYWDCUPULN-CQSZACIVSA-N 0 0 376.856 3.755 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cccc2c1O[C@@H](C)C2 ZINC001474858448 1074596425 /nfs/dbraw/zinc/59/64/25/1074596425.db2.gz OIZFJURKDUMQNI-INIZCTEOSA-N 0 0 388.533 3.675 20 10 GHCDRN Cc1cc(CCNS(=O)(=O)CCc2ccccc2)c(C)n1-c1ccccc1 ZINC001475549086 1074911417 /nfs/dbraw/zinc/91/14/17/1074911417.db2.gz AIHLEKXDVJPOAI-UHFFFAOYSA-N 0 0 382.529 3.799 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3cnc(-c4ccccc4)nc3)C2)cc1 ZINC001476003787 1075067502 /nfs/dbraw/zinc/06/75/02/1075067502.db2.gz VZSSRALVFBQQMN-KRWDZBQOSA-N 0 0 389.459 3.553 20 10 GHCDRN CCC[C@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccc(N(C)C)cc1C ZINC001500046273 1079574173 /nfs/dbraw/zinc/57/41/73/1079574173.db2.gz YUSSCJRWOQGBNQ-KRWDZBQOSA-N 0 0 393.539 3.783 20 10 GHCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@](C)(CO)Cc2ccc(Cl)cc2)c1[O-] ZINC001560183337 1126209007 /nfs/dbraw/zinc/20/90/07/1126209007.db2.gz MSBPYHYMLXFDEL-LJQANCHMSA-N 0 0 382.287 3.985 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNc1c(-c2nn[nH]n2)cnc2c(F)cc(F)cc21 ZINC000737271571 599064196 /nfs/dbraw/zinc/06/41/96/599064196.db2.gz WPBDPFBGSVONIM-UHFFFAOYSA-N 0 0 395.417 3.680 20 10 GHCDRN C[C@@H](c1cccs1)N1C(=O)C(=Cc2ccc(-c3nn[nH]n3)cc2)SC1=S ZINC000736204445 598359692 /nfs/dbraw/zinc/35/96/92/598359692.db2.gz RWBCUTZIRDKTOJ-RSYJBZMQSA-N 0 0 399.526 3.891 20 10 GHCDRN CCN(CC)c1ccc(CNc2ncc(-c3nn[nH]n3)cc2Cl)cc1F ZINC000736531991 598556798 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861541684 /nfs/dbraw/zinc/54/16/84/861541684.db2.gz QMFUWNCNVAGBNU-UHFFFAOYSA-N 0 0 391.512 3.713 20 10 GHCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(CN2CCCC2=O)cc1 ZINC000126189524 845234582 /nfs/dbraw/zinc/23/45/82/845234582.db2.gz VDUHIDFKVGJNCU-UHFFFAOYSA-N 0 0 388.427 3.625 20 10 GHCDRN O=C(CCc1cccc(Cl)c1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000098093857 845261606 /nfs/dbraw/zinc/26/16/06/845261606.db2.gz QIRWUCQLLCBZLL-UHFFFAOYSA-N 0 0 386.923 3.798 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NC[C@]2(O)CCCc3ccccc32)cc1F ZINC000731364190 861574625 /nfs/dbraw/zinc/57/46/25/861574625.db2.gz SXBHPZIHYBRJTR-HSZRJFAPSA-N 0 0 399.510 3.695 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc1 ZINC000171141607 861585002 /nfs/dbraw/zinc/58/50/02/861585002.db2.gz QTLBZSIXXWPNHH-IBGZPJMESA-N 0 0 391.874 3.828 20 10 GHCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2cccc3cnccc32)cc1F ZINC000731356738 861585986 /nfs/dbraw/zinc/58/59/86/861585986.db2.gz QFOMPDZPZHPGHA-UHFFFAOYSA-N 0 0 387.480 3.699 20 10 GHCDRN Cc1cc(C(=O)Nc2cccc(O[C@H]3CC(=O)N3)c2)c(C)n1-c1cccc(C)c1 ZINC001299286179 861597799 /nfs/dbraw/zinc/59/77/99/861597799.db2.gz WIUACROMYPTISF-QFIPXVFZSA-N 0 0 389.455 3.880 20 10 GHCDRN CN(C)c1ccc(CNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1F ZINC000731446036 861622510 /nfs/dbraw/zinc/62/25/10/861622510.db2.gz QBRSRLYPKXGGMB-UHFFFAOYSA-N 0 0 391.295 3.818 20 10 GHCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@@H](CO)c1ccccc1 ZINC000255473565 846071193 /nfs/dbraw/zinc/07/11/93/846071193.db2.gz SISAVGNOKDGJOH-FQEVSTJZSA-N 0 0 388.427 3.890 20 10 GHCDRN CCOc1ccc(-n2c(C)cc(C(=O)CSc3nnnn3C3CC3)c2C)cc1 ZINC000016375475 846170846 /nfs/dbraw/zinc/17/08/46/846170846.db2.gz SXVDPKBDELVWEC-UHFFFAOYSA-N 0 0 397.504 3.789 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(C[S@](C)=O)c1 ZINC000024151278 846212340 /nfs/dbraw/zinc/21/23/40/846212340.db2.gz XGCWKAGQJYVGTE-HHHXNRCGSA-N 0 0 384.545 3.828 20 10 GHCDRN CN(C)c1ccc(CNC(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)cc1 ZINC000047728154 846235371 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Cc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nn1-c1ccccc1 ZINC000731574835 861724717 /nfs/dbraw/zinc/72/47/17/861724717.db2.gz DENXWRSDYHRZHC-UHFFFAOYSA-N 0 0 377.492 3.693 20 10 GHCDRN CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000472223278 847063978 /nfs/dbraw/zinc/06/39/78/847063978.db2.gz OIEYDHFUEGECKS-AEFFLSMTSA-N 0 0 398.551 3.713 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000272640980 847132239 /nfs/dbraw/zinc/13/22/39/847132239.db2.gz YOOCEWKHAZIGLM-UHFFFAOYSA-N 0 0 399.498 3.516 20 10 GHCDRN CC(C)[C@@H]1C[C@@H](CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCO1 ZINC000272861442 847192596 /nfs/dbraw/zinc/19/25/96/847192596.db2.gz SAFTWRKOMCZJCU-CUWPLCDZSA-N 0 0 375.509 3.741 20 10 GHCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H]2OCCc3ccccc32)cc1 ZINC000158307714 847227215 /nfs/dbraw/zinc/22/72/15/847227215.db2.gz JOGBPNTWYRHPNN-GMAHTHKFSA-N 0 0 394.515 3.574 20 10 GHCDRN Cc1n[nH]cc1C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000273356903 847315164 /nfs/dbraw/zinc/31/51/64/847315164.db2.gz CWEHPYWEZILTLO-QMMMGPOBSA-N 0 0 389.091 3.800 20 10 GHCDRN C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273363769 847317768 /nfs/dbraw/zinc/31/77/68/847317768.db2.gz DOSSCBFYCIZYDT-GFCCVEGCSA-N 0 0 382.291 3.781 20 10 GHCDRN COc1cc([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc(OC)c1OC ZINC000273390260 847324597 /nfs/dbraw/zinc/32/45/97/847324597.db2.gz KKTHWUNJMIZTHI-RYUDHWBXSA-N 0 0 376.409 3.738 20 10 GHCDRN CSc1nnc(CCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])n1CC(C)C ZINC000273568575 847374613 /nfs/dbraw/zinc/37/46/13/847374613.db2.gz KCPDWOYTMJZIRM-CYBMUJFWSA-N 0 0 393.513 3.553 20 10 GHCDRN Cc1cc2c(c(C)c1)C(=O)C(=O)N2CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000016878165 847705914 /nfs/dbraw/zinc/70/59/14/847705914.db2.gz PXNKBKSCCCQTKU-UHFFFAOYSA-N 0 0 391.515 3.913 20 10 GHCDRN COc1ccccc1C[C@H]1CCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000127942938 847728219 /nfs/dbraw/zinc/72/82/19/847728219.db2.gz XTKRSRPAJMNTBJ-JOCHJYFZSA-N 0 0 391.515 3.988 20 10 GHCDRN Cc1cc(CCNC(=O)c2cccc(C(=O)N(C)C)c2)c(C)n1-c1ccccc1 ZINC000728514259 848164530 /nfs/dbraw/zinc/16/45/30/848164530.db2.gz YHCNSCNZHPRNIU-UHFFFAOYSA-N 0 0 389.499 3.768 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCO[C@H](Cc2ccccc2)C1 ZINC000472273056 848756222 /nfs/dbraw/zinc/75/62/22/848756222.db2.gz FNHMPVFDOHFTAC-LJQANCHMSA-N 0 0 377.488 3.640 20 10 GHCDRN Cc1cc(C(=O)NCc2nccn2C)c(C)n1-c1ccccc1Br ZINC000728544363 849058986 /nfs/dbraw/zinc/05/89/86/849058986.db2.gz FCWOWWFGYBQMMO-UHFFFAOYSA-N 0 0 387.281 3.520 20 10 GHCDRN C[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F ZINC000123448997 849128266 /nfs/dbraw/zinc/12/82/66/849128266.db2.gz RLMDJDOHEATZNW-HNNXBMFYSA-N 0 0 389.446 3.704 20 10 GHCDRN COc1cc(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])ccc1OCCO ZINC000278155269 849418434 /nfs/dbraw/zinc/41/84/34/849418434.db2.gz ASCKERYEYCSTKW-NSHDSACASA-N 0 0 386.275 3.930 20 10 GHCDRN CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000171282600 862022859 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GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000732177694 862124342 /nfs/dbraw/zinc/12/43/42/862124342.db2.gz XRCPHBYOEYEOIZ-QGZVFWFLSA-N 0 0 385.533 3.630 20 10 GHCDRN CCOc1ccc(NC(=O)CN2CCCc3cc(OC)ccc32)cc1OCC ZINC000027579656 850426692 /nfs/dbraw/zinc/42/66/92/850426692.db2.gz SGDMGOORVGCTJR-UHFFFAOYSA-N 0 0 384.476 3.884 20 10 GHCDRN Cc1cc(CCNC(=O)NCCc2ccc(C)nc2)c(C)n1-c1ccccc1 ZINC000732252509 862156214 /nfs/dbraw/zinc/15/62/14/862156214.db2.gz RQGDQPORPAVJKN-UHFFFAOYSA-N 0 0 376.504 3.882 20 10 GHCDRN COCCN(Cc1cc(=O)oc2cc(C)ccc12)c1ccc(OC)c(OC)c1 ZINC000174799086 850827631 /nfs/dbraw/zinc/82/76/31/850827631.db2.gz ONGVVJANFQPUET-UHFFFAOYSA-N 0 0 383.444 3.772 20 10 GHCDRN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC2CCSCC2)C1 ZINC000435865059 850939565 /nfs/dbraw/zinc/93/95/65/850939565.db2.gz NKUYVLARMPEUFD-UHFFFAOYSA-N 0 0 385.577 3.667 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000031730221 851075629 /nfs/dbraw/zinc/07/56/29/851075629.db2.gz 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COc1cc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)ccc1O ZINC000045614042 855039259 /nfs/dbraw/zinc/03/92/59/855039259.db2.gz IBVUIEAZCFPTGO-UHFFFAOYSA-N 0 0 383.492 3.733 20 10 GHCDRN CCCc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000140130867 855039534 /nfs/dbraw/zinc/03/95/34/855039534.db2.gz YYIOMHVXKUMNSR-KRWDZBQOSA-N 0 0 388.533 3.515 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3[nH]c4ccc(C)cc4c3C)CC2)cc1F ZINC000765825541 855336480 /nfs/dbraw/zinc/33/64/80/855336480.db2.gz LQFYAWWZTHCWSA-UHFFFAOYSA-N 0 0 381.451 3.895 20 10 GHCDRN Cc1cc(C(=O)Nc2ccc(-n3cncn3)nc2)c(C)n1-c1cccc(Cl)c1 ZINC000057202300 855816542 /nfs/dbraw/zinc/81/65/42/855816542.db2.gz WMYNGHPMYJOKCT-UHFFFAOYSA-N 0 0 392.850 3.976 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)CSc2ccc3c(c2)OCCCO3)cc1 ZINC000057933593 855823468 /nfs/dbraw/zinc/82/34/68/855823468.db2.gz CEXFFWVZLXWYLR-UHFFFAOYSA-N 0 0 386.517 3.665 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCN([C@@H](C)c2ccsc2)CC1 ZINC000765884494 855887806 /nfs/dbraw/zinc/88/78/06/855887806.db2.gz 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GHCDRN COc1ccc([C@@H](NC(=O)NCc2cc(OC)ccc2O)C(F)(F)F)cc1 ZINC000155156541 881367615 /nfs/dbraw/zinc/36/76/15/881367615.db2.gz HNICXCOGPFVFAV-MRXNPFEDSA-N 0 0 384.354 3.512 20 10 GHCDRN COc1cc(Cl)cc(CN2CCN(c3ccc(F)cc3OC)CC2)c1O ZINC000761200908 859065148 /nfs/dbraw/zinc/06/51/48/859065148.db2.gz ACPSDHQKIUMVDY-UHFFFAOYSA-N 0 0 380.847 3.524 20 10 GHCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CC2(O)CCCC2)cc1 ZINC000174766890 881380507 /nfs/dbraw/zinc/38/05/07/881380507.db2.gz RPCIMJRLSVTCGT-UHFFFAOYSA-N 0 0 382.504 3.990 20 10 GHCDRN COc1ccccc1OC[C@H](C)CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000764038567 859145327 /nfs/dbraw/zinc/14/53/27/859145327.db2.gz VUMMRBZHRWBCKA-MRXNPFEDSA-N 0 0 393.487 3.943 20 10 GHCDRN O=C1C[C@@H](c2ccc(NCc3ccc(N4CCCCC4)cc3)cc2)NC(=O)N1 ZINC000895354240 859225905 /nfs/dbraw/zinc/22/59/05/859225905.db2.gz WNYLUMKTOBWAJM-FQEVSTJZSA-N 0 0 378.476 3.560 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@@]3(C)CCO[C@H]3C3CC3)ccc21 ZINC000466718961 859277168 /nfs/dbraw/zinc/27/71/68/859277168.db2.gz VGVJIOQLCMASBQ-JTHBVZDNSA-N 0 0 384.520 3.840 20 10 GHCDRN COC(=O)CCC(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1 ZINC000840167045 859336354 /nfs/dbraw/zinc/33/63/54/859336354.db2.gz VIYGFIVNTQAQHQ-UHFFFAOYSA-N 0 0 384.457 3.806 20 10 GHCDRN Cc1cc(C(=O)N2CCO[C@H](C)[C@@H]2C)c(C)n1-c1ccc(Br)cn1 ZINC000843829015 859351280 /nfs/dbraw/zinc/35/12/80/859351280.db2.gz CDKTUFZJHUSODO-GXTWGEPZSA-N 0 0 392.297 3.501 20 10 GHCDRN C[C@H](CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)CC1(C)OCCO1 ZINC000153013703 881425609 /nfs/dbraw/zinc/42/56/09/881425609.db2.gz OXBLUOQJKAIJCG-SFHVURJKSA-N 0 0 389.540 3.608 20 10 GHCDRN CCOCc1ccc(CNC(=O)NCc2cccc(Br)c2O)cc1 ZINC000764764092 859599904 /nfs/dbraw/zinc/59/99/04/859599904.db2.gz XQMLOJUIRNETFQ-UHFFFAOYSA-N 0 0 393.281 3.691 20 10 GHCDRN O=C(NCCCOc1ccc(F)cc1)NCc1cccc(Br)c1O ZINC000764768955 859603863 /nfs/dbraw/zinc/60/38/63/859603863.db2.gz KVFHQUJNVYGRNX-UHFFFAOYSA-N 0 0 397.244 3.562 20 10 GHCDRN C[C@H](CNC(=O)NCc1cccc(Br)c1O)Oc1ccccc1F ZINC000764791648 859611121 /nfs/dbraw/zinc/61/11/21/859611121.db2.gz OYUIBHCGNKZMNO-LLVKDONJSA-N 0 0 397.244 3.561 20 10 GHCDRN O=C1/C(=C\c2cc(Br)cc3c2OCC3)SC(=S)N1C1CC1 ZINC000764891653 859655054 /nfs/dbraw/zinc/65/50/54/859655054.db2.gz LZCXJKKPWYRILU-KPKJPENVSA-N 0 0 382.304 3.748 20 10 GHCDRN CC(=O)c1cccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000764923979 859682930 /nfs/dbraw/zinc/68/29/30/859682930.db2.gz HSWYGGGOIDQAAM-GASCZTMLSA-N 0 0 384.451 3.572 20 10 GHCDRN Cc1cc(C(=O)Oc2ccc3c(c2)CCCC(=O)N3)c(C)n1-c1ccccn1 ZINC000764928669 859684677 /nfs/dbraw/zinc/68/46/77/859684677.db2.gz SVSNMILBOATXQU-UHFFFAOYSA-N 0 0 375.428 3.983 20 10 GHCDRN CSc1nc2ncnc(NCc3cccc(Br)c3O)c2s1 ZINC000764933990 859690470 /nfs/dbraw/zinc/69/04/70/859690470.db2.gz HELGTKZEJKPXTI-UHFFFAOYSA-N 0 0 383.296 3.888 20 10 GHCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@H]2CCOC3(CCC3)C2)cc1 ZINC000895601959 859698462 /nfs/dbraw/zinc/69/84/62/859698462.db2.gz 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Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCc1cccc(C(F)(F)F)n1 ZINC000840383230 860321984 /nfs/dbraw/zinc/32/19/84/860321984.db2.gz ZAHWQXVAUBHQRY-AWEZNQCLSA-N 0 0 394.441 3.905 20 10 GHCDRN COC(=O)[C@H](C)Cc1ccc(NC(=O)NCCCSc2nccs2)cc1 ZINC000760078592 860331473 /nfs/dbraw/zinc/33/14/73/860331473.db2.gz XXXNCDOFCOJQJZ-CYBMUJFWSA-N 0 0 393.534 3.799 20 10 GHCDRN Cc1ccc(C)c(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000727991199 860339751 /nfs/dbraw/zinc/33/97/51/860339751.db2.gz HMCDFQGTSKJAKC-HDICACEKSA-N 0 0 384.495 3.915 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3Cc4ccccc4C3)cc2F)C[C@H](C)O1 ZINC000730025174 860489876 /nfs/dbraw/zinc/48/98/76/860489876.db2.gz VWOLZYZFAKMAEP-IYBDPMFKSA-N 0 0 383.467 3.665 20 10 GHCDRN Cc1ccc(C(=O)CCC(=O)NCc2cccc(Br)c2O)cc1 ZINC000765731257 860505322 /nfs/dbraw/zinc/50/53/22/860505322.db2.gz ISPMTIKKBMYULT-UHFFFAOYSA-N 0 0 376.250 3.742 20 10 GHCDRN O=C(CSc1ccc(F)c(F)c1)NCc1cccc(Br)c1O ZINC000765734944 860525813 /nfs/dbraw/zinc/52/58/13/860525813.db2.gz 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/nfs/dbraw/zinc/90/47/61/860904761.db2.gz PKCXMLCFHRUWIR-UHFFFAOYSA-N 0 0 399.292 3.631 20 10 GHCDRN O=C1CCCN1CCCSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000920070853 881595928 /nfs/dbraw/zinc/59/59/28/881595928.db2.gz IJIOMJZJNDVYPB-SFHVURJKSA-N 0 0 385.533 3.834 20 10 GHCDRN Cc1cc(C(=O)N(C)[C@H]2CCOC2)c(C)n1-c1ccc(Br)cc1 ZINC000730243275 860967499 /nfs/dbraw/zinc/96/74/99/860967499.db2.gz MJVKCKQHTXKOFR-INIZCTEOSA-N 0 0 377.282 3.718 20 10 GHCDRN COC(=O)CCCN1C(=O)/C(=C\c2ccc(OCC(C)C)cc2)SC1=S ZINC000730290259 861004382 /nfs/dbraw/zinc/00/43/82/861004382.db2.gz OSLOXBNXXDFSFK-LFIBNONCSA-N 0 0 393.530 3.876 20 10 GHCDRN Cc1[nH]nc(C(C)C)c1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000763936250 861017401 /nfs/dbraw/zinc/01/74/01/861017401.db2.gz BJOMXBOVOPEXMY-ZIAGYGMSSA-N 0 0 388.487 3.524 20 10 GHCDRN CC(C)(C)CN(CCO)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000730392786 861082199 /nfs/dbraw/zinc/08/21/99/861082199.db2.gz ARODOHNZCOMHQX-UHFFFAOYSA-N 0 0 382.464 3.908 20 10 GHCDRN Cc1cc(C(=O)NC[C@H]2CCCS2)c(C)n1-c1ccc(Br)cn1 ZINC000843821688 863093509 /nfs/dbraw/zinc/09/35/09/863093509.db2.gz MFIAYNNLGMFNNB-CQSZACIVSA-N 0 0 394.338 3.877 20 10 GHCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCN(C2CCC2)CC1 ZINC000733669240 863104575 /nfs/dbraw/zinc/10/45/75/863104575.db2.gz NMLAECYLUAYAJE-UHFFFAOYSA-N 0 0 391.475 3.737 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)C[C@H]3CCOc4ccccc43)CC2)cc1 ZINC000172059082 863163307 /nfs/dbraw/zinc/16/33/07/863163307.db2.gz KKVNJFGILRMDPK-GOSISDBHSA-N 0 0 380.488 3.690 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3cccc4ccc(C)nc43)CC2)cc1 ZINC000172061751 863164521 /nfs/dbraw/zinc/16/45/21/863164521.db2.gz WFTPYNJXGPOOIQ-UHFFFAOYSA-N 0 0 376.460 3.906 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCc1ccc2c(c1)CCO2 ZINC000172077056 863203060 /nfs/dbraw/zinc/20/30/60/863203060.db2.gz VRFHKWXFCBDTFP-UHFFFAOYSA-N 0 0 393.531 3.996 20 10 GHCDRN Cn1ccnc1SCc1ccc(C(=O)NCCCSc2nccs2)o1 ZINC000733881020 863227171 /nfs/dbraw/zinc/22/71/71/863227171.db2.gz 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Cc1cc(NC(=O)N2CCOc3cc(N(C)C)ccc32)ccc1C(=O)NC(C)C ZINC000183113069 863474278 /nfs/dbraw/zinc/47/42/78/863474278.db2.gz DXLVDLZIDFTBGR-UHFFFAOYSA-N 0 0 396.491 3.630 20 10 GHCDRN COc1ccc(O)c(CNC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)c1 ZINC000114540568 881670616 /nfs/dbraw/zinc/67/06/16/881670616.db2.gz IMTWNLMTSWWMKO-UHFFFAOYSA-N 0 0 390.439 3.892 20 10 GHCDRN COc1ccc(O)c(CNC(=O)c2cc(-c3ccncc3)nc3ccccc32)c1 ZINC000114543232 881671623 /nfs/dbraw/zinc/67/16/23/881671623.db2.gz BEHCHHWCUKZOPB-UHFFFAOYSA-N 0 0 385.423 3.941 20 10 GHCDRN COc1ccc(O)c(CNC(=O)c2cccc(OCc3csc(C)n3)c2)c1 ZINC000114543186 881672146 /nfs/dbraw/zinc/67/21/46/881672146.db2.gz PMJOJURLJGHPTI-UHFFFAOYSA-N 0 0 384.457 3.675 20 10 GHCDRN CCc1c(C(=O)NCc2cc(OC)ccc2O)cnn1-c1cccc(Cl)c1 ZINC000114544095 881673584 /nfs/dbraw/zinc/67/35/84/881673584.db2.gz GMSXSPHKRCVYFD-UHFFFAOYSA-N 0 0 385.851 3.732 20 10 GHCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000761622245 881685079 /nfs/dbraw/zinc/68/50/79/881685079.db2.gz FKQYZOTUBQIHIE-UHFFFAOYSA-N 0 0 391.427 3.714 20 10 GHCDRN C[C@@H]1CCCN(C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)[C@@H]1C ZINC000172636548 863827476 /nfs/dbraw/zinc/82/74/76/863827476.db2.gz UMIUWGBVPPFKER-CHWSQXEVSA-N 0 0 392.411 3.631 20 10 GHCDRN COc1ccc(CNC(=O)NCc2ccc(OCc3ccccc3)cc2)c(O)c1 ZINC000792815001 881704890 /nfs/dbraw/zinc/70/48/90/881704890.db2.gz BXIAYTJJTRIPKA-UHFFFAOYSA-N 0 0 392.455 3.979 20 10 GHCDRN CN(C)c1ccc(CN(C)Cc2nc(-c3cccnc3)no2)c(C(F)(F)F)c1 ZINC000792822245 881709446 /nfs/dbraw/zinc/70/94/46/881709446.db2.gz IOCLTRVCUXEVIE-UHFFFAOYSA-N 0 0 391.397 3.848 20 10 GHCDRN CCN(CC)c1nc2sc(C(=O)NCc3cc(OC)ccc3O)cc2s1 ZINC000734014802 863925051 /nfs/dbraw/zinc/92/50/51/863925051.db2.gz CGJQINNYGNBXOK-UHFFFAOYSA-N 0 0 391.518 3.848 20 10 GHCDRN C[C@@H]1CCCC[C@H]1CCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000734014123 863925287 /nfs/dbraw/zinc/92/52/87/863925287.db2.gz MLSKKLYNNKWHEK-AEFFLSMTSA-N 0 0 391.531 3.802 20 10 GHCDRN COc1ccc(O)c(CNC(=O)c2ccccc2OCCOc2ccccc2)c1 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GHCDRN CC(=O)Nc1ccc(NC(=S)NNc2ccc(Br)c(F)c2)cc1 ZINC000769764529 874264783 /nfs/dbraw/zinc/26/47/83/874264783.db2.gz YIKJZGFLGVUUJB-UHFFFAOYSA-N 0 0 397.273 3.860 20 10 GHCDRN C[C@H](NCc1nnnn1-c1ccc(C(F)(F)F)cc1)c1ccc(N(C)C)cc1 ZINC000775830102 874272311 /nfs/dbraw/zinc/27/23/11/874272311.db2.gz CTNVJBQVRIYCPO-ZDUSSCGKSA-N 0 0 390.413 3.598 20 10 GHCDRN CCCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H](C)c1ccc(C)o1 ZINC000769737654 874276005 /nfs/dbraw/zinc/27/60/05/874276005.db2.gz FIQVUVBNDZABIT-AWEZNQCLSA-N 0 0 394.493 3.669 20 10 GHCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNc3nccc4ccc(F)cc43)cc2)C1 ZINC000769858184 874307112 /nfs/dbraw/zinc/30/71/12/874307112.db2.gz JGRJERWVPJVYJB-QGZVFWFLSA-N 0 0 378.451 3.688 20 10 GHCDRN C[C@@H](N[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000775835709 874331970 /nfs/dbraw/zinc/33/19/70/874331970.db2.gz IIDHFJYMEWKSFG-CABCVRRESA-N 0 0 377.496 3.675 20 10 GHCDRN C[C@H](NCc1nnc(C(=O)Nc2ccccc2)s1)c1ccc(N(C)C)cc1 ZINC000775836092 874332142 /nfs/dbraw/zinc/33/21/42/874332142.db2.gz YVPFMSRHSICHQI-AWEZNQCLSA-N 0 0 381.505 3.707 20 10 GHCDRN COc1ccc(N2CCC(Nc3ncnc4sc([N+](=O)[O-])cc43)CC2)cc1 ZINC000804417655 882824028 /nfs/dbraw/zinc/82/40/28/882824028.db2.gz ZKRLGMALINKWJR-UHFFFAOYSA-N 0 0 385.449 3.689 20 10 GHCDRN CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(-c2ccccc2)cc1 ZINC000769928588 874372551 /nfs/dbraw/zinc/37/25/51/874372551.db2.gz NCQWVBPNMANOCU-UHFFFAOYSA-N 0 0 396.468 3.707 20 10 GHCDRN CCSCc1cc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)no1 ZINC000769971987 874382677 /nfs/dbraw/zinc/38/26/77/874382677.db2.gz DYUPAMQJDHCTCH-UHFFFAOYSA-N 0 0 379.445 3.890 20 10 GHCDRN CC(C)Sc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769991640 874389271 /nfs/dbraw/zinc/38/92/71/874389271.db2.gz BIKMJOLRAAGODL-UHFFFAOYSA-N 0 0 380.491 3.517 20 10 GHCDRN Cc1cc(C(=O)NCCc2ccon2)c(C)n1-c1ccccc1Br ZINC000770099981 874459505 /nfs/dbraw/zinc/45/95/05/874459505.db2.gz MFQXLGBKCIHTOU-UHFFFAOYSA-N 0 0 388.265 3.817 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)NCc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000858090580 882836219 /nfs/dbraw/zinc/83/62/19/882836219.db2.gz OCNTZNISPSQTIS-UHFFFAOYSA-N 0 0 376.840 3.515 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cnc2ccccc2c1 ZINC000770230252 874535564 /nfs/dbraw/zinc/53/55/64/874535564.db2.gz JNKDQLPJUWBCRZ-UHFFFAOYSA-N 0 0 383.517 3.900 20 10 GHCDRN COc1ccc(N2CCN(Cc3c(C)nn(-c4ccccc4)c3C)CC2)cc1F ZINC000770302850 874585781 /nfs/dbraw/zinc/58/57/81/874585781.db2.gz TVHDJRBRWLXHEM-UHFFFAOYSA-N 0 0 394.494 3.959 20 10 GHCDRN COc1ccc(N2CCN(Cc3cc(Cl)c(OC)c(OC)c3)CC2)cc1F ZINC000770308070 874588553 /nfs/dbraw/zinc/58/85/53/874588553.db2.gz YFFCBOVYXNMHNO-UHFFFAOYSA-N 0 0 394.874 3.827 20 10 GHCDRN Cc1cc(N2CCOCC2)ccc1NCc1c(O)cccc1Br ZINC000858102622 882848876 /nfs/dbraw/zinc/84/88/76/882848876.db2.gz ZSNSZGWUAVDSSK-UHFFFAOYSA-N 0 0 377.282 3.912 20 10 GHCDRN CC(C)(C)OC(=O)c1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1 ZINC000770688175 874822332 /nfs/dbraw/zinc/82/23/32/874822332.db2.gz LSQCYJZLTLSWQM-UHFFFAOYSA-N 0 0 382.460 3.731 20 10 GHCDRN CC1CCN(c2ccc(CNCc3cn(-c4ccc(F)cc4)nn3)cc2)CC1 ZINC000858132110 882868262 /nfs/dbraw/zinc/86/82/62/882868262.db2.gz SEGCDDAQEQYELW-UHFFFAOYSA-N 0 0 379.483 3.933 20 10 GHCDRN COc1cccc(CNC(=O)Nc2ccc(C)cc2OCC(F)(F)F)c1O ZINC000105017633 874978137 /nfs/dbraw/zinc/97/81/37/874978137.db2.gz POCAYCLZQVUONU-UHFFFAOYSA-N 0 0 384.354 3.972 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 ZINC000105052049 875020826 /nfs/dbraw/zinc/02/08/26/875020826.db2.gz FUMJNSPCLKSPQZ-XMMPIXPASA-N 0 0 392.499 3.807 20 10 GHCDRN O=C1[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CCN1c1ccccc1C(F)(F)F ZINC000775983969 875038544 /nfs/dbraw/zinc/03/85/44/875038544.db2.gz QUZKGOPEIOWMRY-AWEZNQCLSA-N 0 0 384.785 3.960 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H](Cc2ccccc2)CN(C)C)c1 ZINC001199608793 875076218 /nfs/dbraw/zinc/07/62/18/875076218.db2.gz LSNYOQRBXJPMMM-KRWDZBQOSA-N 0 0 377.326 3.726 20 10 GHCDRN CCN(CC)c1ccc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)cc1F ZINC000775994498 875084740 /nfs/dbraw/zinc/08/47/40/875084740.db2.gz JLWAUQLLQRIYTP-UHFFFAOYSA-N 0 0 385.531 3.979 20 10 GHCDRN O=C(C1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1)C(F)(F)F ZINC000776008380 875118524 /nfs/dbraw/zinc/11/85/24/875118524.db2.gz KQIVNQZJIFVLER-UHFFFAOYSA-N 0 0 399.413 3.929 20 10 GHCDRN CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000776015283 875135014 /nfs/dbraw/zinc/13/50/14/875135014.db2.gz AXOPYONCRINTBM-HXUWFJFHSA-N 0 0 398.503 3.785 20 10 GHCDRN Cc1cc(Br)cc2c(C(=O)NCCc3ccc(O)c(O)c3)coc21 ZINC000771418904 875227095 /nfs/dbraw/zinc/22/70/95/875227095.db2.gz TTZGLYUIPXVROT-UHFFFAOYSA-N 0 0 390.233 3.887 20 10 GHCDRN COCCn1c(C)c(C)c2cc(-c3nc(-c4cnc5cnccn54)no3)ccc21 ZINC000771543571 875298268 /nfs/dbraw/zinc/29/82/68/875298268.db2.gz LHBUBPDPIBGCNC-UHFFFAOYSA-N 0 0 388.431 3.664 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)C=C3CCSCC3)cc2F)C[C@H](C)O1 ZINC000771623415 875348253 /nfs/dbraw/zinc/34/82/53/875348253.db2.gz NECDAKIPQPDVNU-GASCZTMLSA-N 0 0 378.513 3.509 20 10 GHCDRN Cc1cc(C(=O)N(C)[C@@H](C)[C@@H]2Cc3ccccc3O2)c(C)n1-c1ccccn1 ZINC000771677483 875415306 /nfs/dbraw/zinc/41/53/06/875415306.db2.gz ZRUODMVOFISMNK-UWJYYQICSA-N 0 0 375.472 3.953 20 10 GHCDRN O=C(/C=C\C1CCCCCC1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001129549417 882936098 /nfs/dbraw/zinc/93/60/98/882936098.db2.gz JTOLIDZNNMOCTI-FPLPWBNLSA-N 0 0 378.463 3.944 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)N2CCCc3cc(F)c(F)c(F)c32)C1 ZINC001129549049 882934819 /nfs/dbraw/zinc/93/48/19/882934819.db2.gz JFGAKPYUXMWNOB-ZDUSSCGKSA-N 0 0 396.409 3.997 20 10 GHCDRN COc1ccc([C@@H](OC)[C@H](C)NC(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000772077990 875656884 /nfs/dbraw/zinc/65/68/84/875656884.db2.gz ZZXNRLBKNOVDDM-KKSFZXQISA-N 0 0 385.508 3.645 20 10 GHCDRN COc1cc(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)ccc1C ZINC000772178969 875734508 /nfs/dbraw/zinc/73/45/08/875734508.db2.gz LSOXXRIFTLNTDR-MHWRWJLKSA-N 0 0 384.482 3.508 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc(N2CCCC2=O)cn1 ZINC000772173565 875767223 /nfs/dbraw/zinc/76/72/23/875767223.db2.gz ZMWYFZVJHCHGDF-UHFFFAOYSA-N 0 0 380.473 3.930 20 10 GHCDRN Cc1ccccc1Oc1cccc(S(=O)(=O)NCCc2ccc(O)c(O)c2)c1 ZINC001201587410 875767652 /nfs/dbraw/zinc/76/76/52/875767652.db2.gz BKRHJPZNCLFLTK-UHFFFAOYSA-N 0 0 399.468 3.720 20 10 GHCDRN C[C@@H](Sc1ncco1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000772247317 875832721 /nfs/dbraw/zinc/83/27/21/875832721.db2.gz NAQQIEGQPMIBRC-LLVKDONJSA-N 0 0 378.409 3.569 20 10 GHCDRN C[C@@H](Nc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)c1ccc(N(C)C)cc1 ZINC000772301997 875855313 /nfs/dbraw/zinc/85/53/13/875855313.db2.gz ZHMHVTFQELHENU-LLVKDONJSA-N 0 0 387.427 3.592 20 10 GHCDRN CCO[C@@H]1C[C@H](NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)[C@H]1Oc1ccccc1 ZINC000776240612 876000305 /nfs/dbraw/zinc/00/03/05/876000305.db2.gz ZNQZHZVPNVZCDH-IDZYALCFSA-N 0 0 397.519 3.738 20 10 GHCDRN COc1cc(C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)ccc1O ZINC000785502456 876078039 /nfs/dbraw/zinc/07/80/39/876078039.db2.gz QTBAREDXCIAGAH-UHFFFAOYSA-N 0 0 380.444 3.902 20 10 GHCDRN Cc1ccc(N2CCNC2=O)cc1NCc1cc(Br)ccc1O ZINC000785550127 876102709 /nfs/dbraw/zinc/10/27/09/876102709.db2.gz JJMTVRXZMVYYAJ-UHFFFAOYSA-N 0 0 376.254 3.605 20 10 GHCDRN O=C(Nc1cnn(CC(F)(F)F)c1)N(Cc1ccco1)Cc1ccccc1O ZINC000151921905 876125501 /nfs/dbraw/zinc/12/55/01/876125501.db2.gz MGQHJZBHTBBHOG-UHFFFAOYSA-N 0 0 394.353 3.978 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNc1cc(S(=O)(=O)N(C)C)cc(C)c1C ZINC001202330096 876142663 /nfs/dbraw/zinc/14/26/63/876142663.db2.gz XMEMIIZXOPQUEZ-UHFFFAOYSA-N 0 0 385.533 3.966 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)NCc2ccc(Br)cc2)cc1 ZINC000106578665 876152102 /nfs/dbraw/zinc/15/21/02/876152102.db2.gz QKGKDHUXWUIZTH-UHFFFAOYSA-N 0 0 376.298 3.857 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1sccc1SC(F)F ZINC000107228911 876325961 /nfs/dbraw/zinc/32/59/61/876325961.db2.gz JDUJMHZTLKESNV-UHFFFAOYSA-N 0 0 384.473 3.829 20 10 GHCDRN O=C(OCc1cncs1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O ZINC000776354957 876327306 /nfs/dbraw/zinc/32/73/06/876327306.db2.gz KEKOYAVLXVERBP-UHFFFAOYSA-N 0 0 383.812 3.929 20 10 GHCDRN O=C(NCc1ccccc1O)C(=O)Nc1ccc(Cl)cc1-c1ccccc1 ZINC000785984149 876394044 /nfs/dbraw/zinc/39/40/44/876394044.db2.gz GRACLFDPNXPKKO-UHFFFAOYSA-N 0 0 380.831 3.968 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)c2ccc(N3CCCC3=O)cc2)C2CC2)cc1 ZINC000914437736 883032123 /nfs/dbraw/zinc/03/21/23/883032123.db2.gz JGYMERHBEFNDNJ-UHFFFAOYSA-N 0 0 377.488 3.684 20 10 GHCDRN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000174918957 883026143 /nfs/dbraw/zinc/02/61/43/883026143.db2.gz DOJFHNRKIRMMNK-JOCHJYFZSA-N 0 0 379.504 3.636 20 10 GHCDRN CC(=O)N1CCN(c2ccc(CNc3ccc4ccc(F)cc4n3)cc2)CC1 ZINC000786073193 876415214 /nfs/dbraw/zinc/41/52/14/876415214.db2.gz KHKPIBBNQOEFTD-UHFFFAOYSA-N 0 0 378.451 3.655 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)CSC[C@@H]3CCCCO3)cc2)CC1 ZINC000108294487 876451278 /nfs/dbraw/zinc/45/12/78/876451278.db2.gz GNAQJJDEDDYBOC-FQEVSTJZSA-N 0 0 376.566 3.841 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)c3ccc(-c4ncon4)cc3)cc2)CC1 ZINC000108294244 876451313 /nfs/dbraw/zinc/45/13/13/876451313.db2.gz SJSCQPXHIBFZMC-UHFFFAOYSA-N 0 0 376.460 3.903 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)c2ccc3c(c2)NC(=O)CS3)C2CC2)cc1 ZINC000914438149 883031452 /nfs/dbraw/zinc/03/14/52/883031452.db2.gz MANNHRNCRBQELY-UHFFFAOYSA-N 0 0 381.501 3.602 20 10 GHCDRN COc1ccc(CCC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1OC ZINC000914438701 883034407 /nfs/dbraw/zinc/03/44/07/883034407.db2.gz QOTWVOIJMQHAQC-UHFFFAOYSA-N 0 0 382.504 3.894 20 10 GHCDRN CSc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000108616651 876496425 /nfs/dbraw/zinc/49/64/25/876496425.db2.gz LLBRHJYVMODYIC-UHFFFAOYSA-N 0 0 397.544 3.900 20 10 GHCDRN Cc1ccc(C)c(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000108616665 876496722 /nfs/dbraw/zinc/49/67/22/876496722.db2.gz RWMZQQRSNLQOEK-UHFFFAOYSA-N 0 0 379.504 3.795 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)Cc2cc(C(F)(F)F)ccn2)C2CC2)cc1 ZINC000858341342 883036205 /nfs/dbraw/zinc/03/62/05/883036205.db2.gz GHTPFSFSXVTGIP-UHFFFAOYSA-N 0 0 377.410 3.900 20 10 GHCDRN C[C@@H](Sc1ncc(Cl)s1)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000849998587 876583485 /nfs/dbraw/zinc/58/34/85/876583485.db2.gz GTAFWJWQYSQQML-MNOVXSKESA-N 0 0 384.910 3.576 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3cc(C)cc4c(C)ccnc34)CC2)cc1F ZINC000786308656 876618232 /nfs/dbraw/zinc/61/82/32/876618232.db2.gz JOLUYJRJTFYMSB-UHFFFAOYSA-N 0 0 393.462 3.962 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cccc(N2CCNC2=O)c1C ZINC000786336569 876635943 /nfs/dbraw/zinc/63/59/43/876635943.db2.gz HIJBSXBOQGHNRN-UHFFFAOYSA-N 0 0 382.464 3.674 20 10 GHCDRN C[C@H](NC(=O)N1CCc2nc(C(C)(C)C)ncc2C1)c1ccc(N(C)C)cc1 ZINC000858368633 883053165 /nfs/dbraw/zinc/05/31/65/883053165.db2.gz MYBVMEDOPFGLKX-HNNXBMFYSA-N 0 0 381.524 3.669 20 10 GHCDRN COc1cc(CNc2ccc(CCS(C)(=O)=O)cc2)c(O)c(C(C)(C)C)c1 ZINC000850221525 876733934 /nfs/dbraw/zinc/73/39/34/876733934.db2.gz KWESNTQXSAFIFY-UHFFFAOYSA-N 0 0 391.533 3.898 20 10 GHCDRN Cc1nc([C@H](NCc2ccc(N3CCOCC3)cc2)c2ccc(Cl)cc2)no1 ZINC000180191811 883065548 /nfs/dbraw/zinc/06/55/48/883065548.db2.gz DNLMKIAURHUXHC-HXUWFJFHSA-N 0 0 398.894 3.747 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2nc(C(C)C)c(C)s2)cc1 ZINC000850351760 876842872 /nfs/dbraw/zinc/84/28/72/876842872.db2.gz UEDZMUNSVDRGHK-UHFFFAOYSA-N 0 0 388.537 3.676 20 10 GHCDRN CN1CCc2c(NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cccc2C1=O ZINC000850382987 876868576 /nfs/dbraw/zinc/86/85/76/876868576.db2.gz FJCXAFIAQZOJBX-UHFFFAOYSA-N 0 0 394.475 3.825 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1ccccc1Cl ZINC000786687835 876872464 /nfs/dbraw/zinc/87/24/64/876872464.db2.gz GOIXMJYTRXFZMC-UHFFFAOYSA-N 0 0 388.895 3.533 20 10 GHCDRN Cc1cc(CCNC(=O)c2cnn(CC(F)(F)F)c2)c(C)n1-c1ccccc1 ZINC000786710295 876878402 /nfs/dbraw/zinc/87/84/02/876878402.db2.gz YHENRACQIDLSFE-UHFFFAOYSA-N 0 0 390.409 3.825 20 10 GHCDRN OC[C@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1Cl ZINC000850402554 876882915 /nfs/dbraw/zinc/88/29/15/876882915.db2.gz NPCLDURSYOZCFV-SFHVURJKSA-N 0 0 381.303 3.653 20 10 GHCDRN C[C@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)c1cc(Br)c(F)cc1[O-] ZINC000850500966 876976675 /nfs/dbraw/zinc/97/66/75/876976675.db2.gz LMJHPWPCBIJRFD-ZUZCIYMTSA-N 0 0 393.256 3.532 20 10 GHCDRN C[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1cc(Br)cc(Br)c1[O-] ZINC000850516545 876987506 /nfs/dbraw/zinc/98/75/06/876987506.db2.gz MOVHKFNULRBIOO-IUCAKERBSA-N 0 0 393.119 3.729 20 10 GHCDRN C[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1cc(Br)cc(F)c1[O-] ZINC000850562709 877027771 /nfs/dbraw/zinc/02/77/71/877027771.db2.gz PENMRTYZQAXYMK-DIFFPNOSSA-N 0 0 390.293 3.512 20 10 GHCDRN O=C(C(=O)N1CCC[C@H](C2CCC2)C1)N(Cc1ccco1)Cc1ccccc1O ZINC000850596659 877062762 /nfs/dbraw/zinc/06/27/62/877062762.db2.gz UIAUGLRUWATFRT-SFHVURJKSA-N 0 0 396.487 3.553 20 10 GHCDRN C[C@@H](Nc1ccc2ccc(=O)n(C)c2c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000786940421 877067294 /nfs/dbraw/zinc/06/72/94/877067294.db2.gz IFHKHLNGNMMXQG-OAHLLOKOSA-N 0 0 381.451 3.687 20 10 GHCDRN Cc1cc(CNC(=O)NCc2cnc3n2CCCC3)c(C)n1-c1ccccc1 ZINC000858436234 883096143 /nfs/dbraw/zinc/09/61/43/883096143.db2.gz BYTBMVKKKIALMP-UHFFFAOYSA-N 0 0 377.492 3.626 20 10 GHCDRN CCc1nc2cc(CNC(=O)NCc3cc(C)ccc3O)ccc2n1C1CC1 ZINC000858431961 883093448 /nfs/dbraw/zinc/09/34/48/883093448.db2.gz DNEPOTWQHDLNKW-UHFFFAOYSA-N 0 0 378.476 3.947 20 10 GHCDRN O=C(NCC(O)(C1CC1)C1CC1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000850667652 877091854 /nfs/dbraw/zinc/09/18/54/877091854.db2.gz MHJJDIDFJHHXFX-UHFFFAOYSA-N 0 0 392.459 3.708 20 10 GHCDRN CC(C)c1c(C(=O)NCc2ccc3c(c2)CCCN3C)cnn1-c1ccccn1 ZINC000109461265 877101919 /nfs/dbraw/zinc/10/19/19/877101919.db2.gz WAROIULAPGMTSJ-UHFFFAOYSA-N 0 0 389.503 3.703 20 10 GHCDRN CN1CCCc2cc(CNC(=O)CCCNC(=O)c3ccc(Cl)cc3)ccc21 ZINC000109461606 877101983 /nfs/dbraw/zinc/10/19/83/877101983.db2.gz VDEAPFJPOSLQJY-UHFFFAOYSA-N 0 0 399.922 3.549 20 10 GHCDRN Cc1cnc(CC(=O)OCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)s1 ZINC000787034855 877111225 /nfs/dbraw/zinc/11/12/25/877111225.db2.gz LJBVZXPJBBXPFW-UHFFFAOYSA-N 0 0 386.448 3.967 20 10 GHCDRN Cc1cc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1N ZINC000850777077 877167505 /nfs/dbraw/zinc/16/75/05/877167505.db2.gz GRINJBSKHYYELZ-OAHLLOKOSA-N 0 0 390.434 3.969 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccnc(OCC(F)(F)F)c2)c1 ZINC000776492550 877186441 /nfs/dbraw/zinc/18/64/41/877186441.db2.gz ZWKNVRDYEYGYNY-JTQLQIEISA-N 0 0 385.342 3.620 20 10 GHCDRN CCO[C@H](CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(C)C ZINC000760574114 877342072 /nfs/dbraw/zinc/34/20/72/877342072.db2.gz MWYDMJMCPKHESE-CRAIPNDOSA-N 0 0 384.467 3.824 20 10 GHCDRN O=C(NCc1coc(-c2ccccc2)n1)NCc1c(O)ccc2c1CCCC2 ZINC000175618835 877376417 /nfs/dbraw/zinc/37/64/17/877376417.db2.gz LUWVIEOGEHNZBD-UHFFFAOYSA-N 0 0 377.444 3.925 20 10 GHCDRN COc1cccc(O[C@@H](C)CNC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000175640969 877413369 /nfs/dbraw/zinc/41/33/69/877413369.db2.gz HBBBBPFWGUHUNS-KRWDZBQOSA-N 0 0 383.492 3.562 20 10 GHCDRN COc1cc(C)cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1C ZINC000787557519 877477997 /nfs/dbraw/zinc/47/79/97/877477997.db2.gz ZDCXDJNWPSUSCZ-UHFFFAOYSA-N 0 0 397.519 3.754 20 10 GHCDRN Cc1cc(Cl)ncc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000152263014 877489358 /nfs/dbraw/zinc/48/93/58/877489358.db2.gz GSXVZTCEKHTZQM-UHFFFAOYSA-N 0 0 399.834 3.510 20 10 GHCDRN Cc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1C(=O)N1CCCCC1 ZINC000787682085 877552134 /nfs/dbraw/zinc/55/21/34/877552134.db2.gz VLMRYVBTTRMVFT-YFHOEESVSA-N 0 0 380.444 3.684 20 10 GHCDRN Cc1cc([C@@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(C)s1 ZINC000787851478 877671247 /nfs/dbraw/zinc/67/12/47/877671247.db2.gz ZYSDQVYXTPLVKG-OAHLLOKOSA-N 0 0 399.560 3.799 20 10 GHCDRN CC[S@](=O)CC(=O)OCC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C ZINC000787947918 877729897 /nfs/dbraw/zinc/72/98/97/877729897.db2.gz JBPSEVWOXOCHEU-MHZLTWQESA-N 0 0 389.517 3.712 20 10 GHCDRN Cc1ccc(NC(=O)C2(CNC(=O)Cc3ccc(N)cc3)CCCC2)cc1C ZINC000237661432 877771844 /nfs/dbraw/zinc/77/18/44/877771844.db2.gz JNZKPOLDVMEEFD-UHFFFAOYSA-N 0 0 379.504 3.743 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@@H](OCC)[C@H]1Oc1ccccc1 ZINC000776529820 877792111 /nfs/dbraw/zinc/79/21/11/877792111.db2.gz DCILHBKSMRBUDD-FCEUIQTBSA-N 0 0 398.503 3.939 20 10 GHCDRN C[C@@H](NCc1ncsc1Br)c1ccc(N2CCOCC2)cc1 ZINC000851895099 877962886 /nfs/dbraw/zinc/96/28/86/877962886.db2.gz BQPCDZNFKTUKAN-GFCCVEGCSA-N 0 0 382.327 3.593 20 10 GHCDRN CCOc1ccc([C@@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000851912297 877972925 /nfs/dbraw/zinc/97/29/25/877972925.db2.gz KMENCCFDSRFBGS-QGZVFWFLSA-N 0 0 397.519 3.607 20 10 GHCDRN COc1cccc(CNC(=O)Nc2ccc(OCc3ccccn3)c(F)c2)c1O ZINC000746742731 878012663 /nfs/dbraw/zinc/01/26/63/878012663.db2.gz NPHAOESLULYREO-UHFFFAOYSA-N 0 0 397.406 3.836 20 10 GHCDRN CC(C)[C@@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)c1ccnn1C ZINC000788318036 878015471 /nfs/dbraw/zinc/01/54/71/878015471.db2.gz GNKBWCZRFYCNMD-HXUWFJFHSA-N 0 0 385.556 3.846 20 10 GHCDRN CC(C)[C@H](CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccnn1C ZINC000788322143 878017766 /nfs/dbraw/zinc/01/77/66/878017766.db2.gz USECYYPNQITTQJ-NRFANRHFSA-N 0 0 397.567 3.992 20 10 GHCDRN Cc1nnc(CN(C)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)s1 ZINC000852021205 878037104 /nfs/dbraw/zinc/03/71/04/878037104.db2.gz XQHUXDSLXAVYJJ-UHFFFAOYSA-N 0 0 387.553 3.957 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)NCCCCOCc3ccccc3)C2)cc1 ZINC000852031397 878042314 /nfs/dbraw/zinc/04/23/14/878042314.db2.gz MKOWKFUIIRXHGU-FQEVSTJZSA-N 0 0 397.519 3.570 20 10 GHCDRN CC[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1OC ZINC000852089200 878070807 /nfs/dbraw/zinc/07/08/07/878070807.db2.gz LSMNDSMXTQTHEM-NRFANRHFSA-N 0 0 397.519 3.607 20 10 GHCDRN Cc1cccc(-c2nnc(SCC(=O)N(C)Cc3ccc(N(C)C)cc3)o2)c1 ZINC000008211181 878092845 /nfs/dbraw/zinc/09/28/45/878092845.db2.gz OGSYERJSXNTGRQ-UHFFFAOYSA-N 0 0 396.516 3.862 20 10 GHCDRN CCS[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852178210 878123517 /nfs/dbraw/zinc/12/35/17/878123517.db2.gz RFNFQNKBGFDJGX-WOJBJXKFSA-N 0 0 391.581 3.511 20 10 GHCDRN C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cn2ccccc2n1 ZINC000788545851 878139670 /nfs/dbraw/zinc/13/96/70/878139670.db2.gz KCEDBLFAKPXQIQ-ZACQAIPSSA-N 0 0 382.483 3.938 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)c3cn(C(C)(C)C)nc3C)C2)cc1 ZINC000852254754 878178719 /nfs/dbraw/zinc/17/87/19/878178719.db2.gz GSHAYZGGKJUBRJ-WBVHZDCISA-N 0 0 399.539 3.594 20 10 GHCDRN CCC(CC)n1nc(C)cc1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000179906754 878194276 /nfs/dbraw/zinc/19/42/76/878194276.db2.gz LTYJDJITFOIZNQ-UHFFFAOYSA-N 0 0 384.524 3.914 20 10 GHCDRN C[C@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1cccc(C(F)(F)F)c1[O-] ZINC000788653407 878210812 /nfs/dbraw/zinc/21/08/12/878210812.db2.gz WJCIQBPWWZVIPV-NSHDSACASA-N 0 0 388.411 3.633 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2nnn(CC3CCCC3)c2C)cc1F ZINC000788750182 878286255 /nfs/dbraw/zinc/28/62/55/878286255.db2.gz BNJCRAKLEMPKBD-UHFFFAOYSA-N 0 0 387.503 3.692 20 10 GHCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C(C)(C)C1 ZINC000746760629 878291247 /nfs/dbraw/zinc/29/12/47/878291247.db2.gz YLMYHWKZONICCR-HRCADAONSA-N 0 0 377.504 3.769 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H](C)C3CCC(F)CC3)C2)cc1 ZINC000852386328 878293758 /nfs/dbraw/zinc/29/37/58/878293758.db2.gz BVKSDZKBMOXPHK-VYMRPNJYSA-N 0 0 377.504 3.738 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C3CCC(F)(F)CC3)C2)cc1 ZINC000852405424 878301448 /nfs/dbraw/zinc/30/14/48/878301448.db2.gz XPSSEPNFOGGSGU-HOCLYGCPSA-N 0 0 381.467 3.787 20 10 GHCDRN C[C@H](NC(=O)c1cccc2c1OCC2(C)C)c1ccc(N2CCOCC2)cc1 ZINC000788742022 878316218 /nfs/dbraw/zinc/31/62/18/878316218.db2.gz LJWBLFXRIQKYLE-INIZCTEOSA-N 0 0 380.488 3.684 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H](C)c3ccc(F)c(F)c3)C2)cc1 ZINC000852454830 878335056 /nfs/dbraw/zinc/33/50/56/878335056.db2.gz QHVDVXUSEJODGD-HOCLYGCPSA-N 0 0 389.446 3.955 20 10 GHCDRN CCOC1CC(CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000788781221 878341954 /nfs/dbraw/zinc/34/19/54/878341954.db2.gz JLDZBDHDVYOWMM-UHFFFAOYSA-N 0 0 382.451 3.578 20 10 GHCDRN Cc1ccccc1[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)C(C)C ZINC000788909258 878445694 /nfs/dbraw/zinc/44/56/94/878445694.db2.gz FPUHOJUGOVDRIH-QFIPXVFZSA-N 0 0 393.531 3.725 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)cc1 ZINC000110720463 878473515 /nfs/dbraw/zinc/47/35/15/878473515.db2.gz ODRITQGRNOERBZ-UHFFFAOYSA-N 0 0 390.422 3.770 20 10 GHCDRN CCN(Cc1ccccc1Cl)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788938597 878484710 /nfs/dbraw/zinc/48/47/10/878484710.db2.gz SVSGGUBOBGKHEW-UHFFFAOYSA-N 0 0 399.922 3.605 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1CCCN(c2ccccc2)C1 ZINC000789035785 878559425 /nfs/dbraw/zinc/55/94/25/878559425.db2.gz AROOFFRUBSYNLA-NRFANRHFSA-N 0 0 390.531 3.779 20 10 GHCDRN CC(C)[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@H](O)c1ccccc1 ZINC000789036016 878560720 /nfs/dbraw/zinc/56/07/20/878560720.db2.gz DPDKZNDCTPWQGJ-FCHUYYIVSA-N 0 0 379.504 3.620 20 10 GHCDRN C[C@@H](OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)c1ccccc1Br ZINC000789072306 878584060 /nfs/dbraw/zinc/58/40/60/878584060.db2.gz HJPBJOHHYVGVFX-GXMKHXEJSA-N 0 0 391.217 3.688 20 10 GHCDRN Nc1ccc(Cc2nc(C(=O)N3CCC[C@@H]([C@H]4CCCCO4)C3)cs2)cc1 ZINC000852862845 878637201 /nfs/dbraw/zinc/63/72/01/878637201.db2.gz LBHZTQSEMZEXQR-VQIMIIECSA-N 0 0 385.533 3.737 20 10 GHCDRN CSCCCN1C(=O)/C(=C\c2cnn(-c3ccc(F)cc3)c2)SC1=S ZINC000170878024 878648618 /nfs/dbraw/zinc/64/86/18/878648618.db2.gz PUMHDCZTCBUBHM-OQLLNIDSSA-N 0 0 393.534 3.966 20 10 GHCDRN C[C@H](NC(=O)N1CCC[C@H]1c1ccccn1)c1ccc(N2CCOCC2)cc1 ZINC000068549110 878727713 /nfs/dbraw/zinc/72/77/13/878727713.db2.gz XTDDCNULEGAGDY-UWJYYQICSA-N 0 0 380.492 3.526 20 10 GHCDRN CC1(C)CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@@H]1c1ccccc1 ZINC000852989653 878733174 /nfs/dbraw/zinc/73/31/74/878733174.db2.gz UQWLPDUIHQDRIE-JOCHJYFZSA-N 0 0 393.531 3.940 20 10 GHCDRN COc1ccc(-c2nccc(N(C)Cc3ccc(N4CCOCC4)cc3)n2)cc1 ZINC000853096188 878812593 /nfs/dbraw/zinc/81/25/93/878812593.db2.gz RKHSBAXZAVCQQE-UHFFFAOYSA-N 0 0 390.487 3.625 20 10 GHCDRN Cc1cc(C(=O)NCC(=O)OC(C)C)c(C)n1-c1cccc(Br)c1 ZINC000111093595 878822457 /nfs/dbraw/zinc/82/24/57/878822457.db2.gz LPTWJYAQLAHVJF-UHFFFAOYSA-N 0 0 393.281 3.538 20 10 GHCDRN CC(=O)CCc1ccc(O[C@H](C)C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000068786128 879026760 /nfs/dbraw/zinc/02/67/60/879026760.db2.gz SYPZNEVIHCWPKG-GOSISDBHSA-N 0 0 382.504 3.700 20 10 GHCDRN Cc1ccc(CC2CN(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000853487548 879055878 /nfs/dbraw/zinc/05/58/78/879055878.db2.gz QKPULFKVTVCJAB-LJQANCHMSA-N 0 0 393.531 3.777 20 10 GHCDRN COC(=O)[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cccs1 ZINC000789571917 879077323 /nfs/dbraw/zinc/07/73/23/879077323.db2.gz NYGHWNKGFDMUDO-SFHVURJKSA-N 0 0 389.477 3.651 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)C1CC(OCc2ccccc2)C1 ZINC000746833707 879105975 /nfs/dbraw/zinc/10/59/75/879105975.db2.gz RIYSBBSKXOZJTC-UHFFFAOYSA-N 0 0 396.556 3.851 20 10 GHCDRN CN1CCCc2cc(CNC(=O)CC3(NC(=O)OC(C)(C)C)CCC3)ccc21 ZINC000746840350 879118809 /nfs/dbraw/zinc/11/88/09/879118809.db2.gz UEUZSCVFMNFCQU-UHFFFAOYSA-N 0 0 387.524 3.523 20 10 GHCDRN CC(C)(C)Oc1ccc(CNC(=O)NCc2ccc(N3CCCC3)cc2)cn1 ZINC000180681733 879144090 /nfs/dbraw/zinc/14/40/90/879144090.db2.gz IDDRPOVYYVXWDS-UHFFFAOYSA-N 0 0 382.508 3.859 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000111471993 879190768 /nfs/dbraw/zinc/19/07/68/879190768.db2.gz ZQPNEXALMLRDHH-TZIWHRDSSA-N 0 0 381.545 3.843 20 10 GHCDRN C[C@H](NC(=O)N[C@H]1c2ccccc2C[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000111479170 879194527 /nfs/dbraw/zinc/19/45/27/879194527.db2.gz BSQFNLWJTLBWQF-PNLZDCPESA-N 0 0 379.504 3.817 20 10 GHCDRN CCOc1ccc(-n2c(C)cc(C(=O)Cn3cc4c(n3)CCOC4)c2C)cc1 ZINC000853708089 879233964 /nfs/dbraw/zinc/23/39/64/879233964.db2.gz DQXOEBKRNMNONZ-UHFFFAOYSA-N 0 0 379.460 3.645 20 10 GHCDRN Cc1ccccc1[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000853725070 879244488 /nfs/dbraw/zinc/24/44/88/879244488.db2.gz KRZPBXMBMIBKLP-HSZRJFAPSA-N 0 0 393.531 3.907 20 10 GHCDRN COc1ccc(-c2cc(CNC(=O)NCc3ccc(N(C)C)cc3C)on2)cc1 ZINC000853749318 879261062 /nfs/dbraw/zinc/26/10/62/879261062.db2.gz PBOIMOQAVRVJCR-UHFFFAOYSA-N 0 0 394.475 3.724 20 10 GHCDRN COc1ccc([C@H]2CN(Cc3c(O)cccc3Br)CCO2)cc1 ZINC001183363972 912438412 /nfs/dbraw/zinc/43/84/12/912438412.db2.gz QJZZVPOHABHIPN-GOSISDBHSA-N 0 0 378.266 3.737 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3nc(C(F)(F)F)cs3)C2)cc1 ZINC000853818682 879306118 /nfs/dbraw/zinc/30/61/18/879306118.db2.gz ZHRWIWNRIWPQMY-SNVBAGLBSA-N 0 0 386.399 3.571 20 10 GHCDRN CC(C)[C@@H](O)[C@H](NC(=O)NCCCSc1nccs1)c1ccccc1 ZINC000853858245 879335905 /nfs/dbraw/zinc/33/59/05/879335905.db2.gz MIGVGTAFWBSGNI-HZPDHXFCSA-N 0 0 379.551 3.683 20 10 GHCDRN CN(c1ccccc1)[C@@H]1CCN(C(=O)NCCCSc2nccs2)C1 ZINC000853858173 879336191 /nfs/dbraw/zinc/33/61/91/879336191.db2.gz LKLSQHFXLNZUNL-MRXNPFEDSA-N 0 0 376.551 3.546 20 10 GHCDRN CCOc1ccc(O)c(CN2C[C@H](CCN3CCCC3=O)c3ccccc32)c1 ZINC000180778344 879337554 /nfs/dbraw/zinc/33/75/54/879337554.db2.gz OCLDXOVZQBEVAM-KRWDZBQOSA-N 0 0 380.488 3.907 20 10 GHCDRN CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000789969777 879370946 /nfs/dbraw/zinc/37/09/46/879370946.db2.gz IEDTWKVJEBJRIG-TZIWHRDSSA-N 0 0 385.552 3.624 20 10 GHCDRN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)/C=C/c3ccc(O)c(O)c3)cc2)n1 ZINC000180817467 879377084 /nfs/dbraw/zinc/37/70/84/879377084.db2.gz OEUSQAXJFMFURR-WQRDJFRPSA-N 0 0 377.444 3.791 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)N(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000181018300 879582975 /nfs/dbraw/zinc/58/29/75/879582975.db2.gz AKECIFRFDXDKJQ-YRNVUSSQSA-N 0 0 392.430 3.917 20 10 GHCDRN CCOCCCn1c(NC(=O)/C=C/c2ccc(O)c(O)c2)nc2ccccc21 ZINC000181031823 879627060 /nfs/dbraw/zinc/62/70/60/879627060.db2.gz HUSBTWHHKYCVAI-PKNBQFBNSA-N 0 0 381.432 3.526 20 10 GHCDRN CCOc1ccc(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1OC ZINC000854230782 879647503 /nfs/dbraw/zinc/64/75/03/879647503.db2.gz YFQRHCWQMPLXDL-INIZCTEOSA-N 0 0 385.464 3.503 20 10 GHCDRN CN(C)c1ccc(CNC(=O)c2cnc(Br)c(Cl)c2)cc1F ZINC000790374634 879678632 /nfs/dbraw/zinc/67/86/32/879678632.db2.gz ARNAGLHWAWVNBV-UHFFFAOYSA-N 0 0 386.652 3.633 20 10 GHCDRN C[C@H](NS(=O)(=O)c1ccc(OC(F)F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000790441477 879729588 /nfs/dbraw/zinc/72/95/88/879729588.db2.gz CPMZQAWCZLHEIM-NSHDSACASA-N 0 0 388.411 3.533 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cn1ccc2ccccc2c1=O ZINC000790484955 879758046 /nfs/dbraw/zinc/75/80/46/879758046.db2.gz WKFBJKOZKLNKCI-UHFFFAOYSA-N 0 0 389.499 3.650 20 10 GHCDRN O=c1cc(NCc2cc(Cl)c3cccnc3c2O)ccn1Cc1ccncc1 ZINC001168525826 879853172 /nfs/dbraw/zinc/85/31/72/879853172.db2.gz MENAQICWSHJWDH-UHFFFAOYSA-N 0 0 392.846 3.811 20 10 GHCDRN COc1ccc(N2CCN(CCc3ccc(F)cc3Cl)CC2)c(OC)c1 ZINC001183419038 912503922 /nfs/dbraw/zinc/50/39/22/912503922.db2.gz GTYWZVUWEGJOHC-UHFFFAOYSA-N 0 0 378.875 3.861 20 10 GHCDRN COc1ccc(C[C@H](NC(=O)c2cccc(O)c2O)c2ccccc2)cc1OC ZINC000790631170 879868844 /nfs/dbraw/zinc/86/88/44/879868844.db2.gz KAMMCLWVRKLNAF-SFHVURJKSA-N 0 0 393.439 3.829 20 10 GHCDRN Cc1cc(CCNC(=O)N(C)Cc2cnn(C)c2C)c(C)n1-c1ccccc1 ZINC000790641145 879879384 /nfs/dbraw/zinc/87/93/84/879879384.db2.gz WQKYFFXQIVVVOZ-UHFFFAOYSA-N 0 0 379.508 3.520 20 10 GHCDRN O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1cccc(O)c1O ZINC000790668822 879899896 /nfs/dbraw/zinc/89/98/96/879899896.db2.gz NGKGUYKGXXPEGN-UHFFFAOYSA-N 0 0 395.286 3.799 20 10 GHCDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000093908407 912512302 /nfs/dbraw/zinc/51/23/02/912512302.db2.gz BVMYXKIGEFMOEU-UHFFFAOYSA-N 0 0 397.475 3.629 20 10 GHCDRN Oc1ccccc1CN(Cc1ccn(-c2cccc(F)c2)n1)C[C@H]1CCCO1 ZINC000112599213 880027502 /nfs/dbraw/zinc/02/75/02/880027502.db2.gz UCVBXXYERKNWBP-OAQYLSRUSA-N 0 0 381.451 3.898 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000181185021 880047849 /nfs/dbraw/zinc/04/78/49/880047849.db2.gz WUYLCUBMZFCKMP-WFNSPDMASA-N 0 0 395.480 3.935 20 10 GHCDRN COc1ccc(CC[C@@H]2CCCCN2C(=O)c2cccc(O)c2O)cc1OC ZINC000790861076 880059164 /nfs/dbraw/zinc/05/91/64/880059164.db2.gz HMVCRZQVDHHKGL-INIZCTEOSA-N 0 0 385.460 3.743 20 10 GHCDRN C[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000790955605 880098151 /nfs/dbraw/zinc/09/81/51/880098151.db2.gz UUCDPCPOLDNGLW-ZDUSSCGKSA-N 0 0 391.874 3.902 20 10 GHCDRN COc1cc(CN2CC[C@H]([NH2+]Cc3c([O-])ccc(Cl)c3F)C2)cc(OC)c1 ZINC000790977270 880137596 /nfs/dbraw/zinc/13/75/96/880137596.db2.gz UTSDRTOHXSECLS-AWEZNQCLSA-N 0 0 394.874 3.566 20 10 GHCDRN Cc1cc(CC(=O)N(C)Cc2cnn(C)c2C)c(C)n1-c1ccc(Cl)cc1 ZINC000791084481 880170625 /nfs/dbraw/zinc/17/06/25/880170625.db2.gz WFBAKADCQLBPNO-UHFFFAOYSA-N 0 0 384.911 3.991 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3ccc(F)c4ccncc34)C2)cc1 ZINC000854980821 880194619 /nfs/dbraw/zinc/19/46/19/880194619.db2.gz HLAYJOODFIBDEJ-OAHLLOKOSA-N 0 0 379.435 3.639 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N3C[C@H](C)O[C@@]4(CCO[C@H]4C)C3)c2C)cc1 ZINC000791153835 880227191 /nfs/dbraw/zinc/22/71/91/880227191.db2.gz ZHNNAXODNKRXQB-CEXJFXJFSA-N 0 0 398.503 3.511 20 10 GHCDRN COc1cccc(C[C@H]2CCCN2C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000746978411 880230729 /nfs/dbraw/zinc/23/07/29/880230729.db2.gz MUHWNYWBWISIDO-GOSISDBHSA-N 0 0 385.483 3.817 20 10 GHCDRN Cc1cc(C(=O)N[C@H](c2nccn2C)C(C)(C)CO)c(C)n1-c1cccc(C)c1 ZINC000855114726 880273115 /nfs/dbraw/zinc/27/31/15/880273115.db2.gz OBDIDSNGOWYFPE-HXUWFJFHSA-N 0 0 394.519 3.626 20 10 GHCDRN C/C=C/COc1cccc(CC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000855225769 880370220 /nfs/dbraw/zinc/37/02/20/880370220.db2.gz MDKHKKLXPPWQCW-GNAXCBTBSA-N 0 0 380.488 3.588 20 10 GHCDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855228015 880372338 /nfs/dbraw/zinc/37/23/38/880372338.db2.gz TZBZOBDPDOQFIO-MSOLQXFVSA-N 0 0 397.475 3.567 20 10 GHCDRN COc1ccc(SCCC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000855229022 880373172 /nfs/dbraw/zinc/37/31/72/880373172.db2.gz JKPCOPARFZIXJT-MRXNPFEDSA-N 0 0 386.517 3.581 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cc(F)ccc3Br)C2)cc1 ZINC000855228349 880373596 /nfs/dbraw/zinc/37/35/96/880373596.db2.gz AJKAXAPUDOUPAB-CYBMUJFWSA-N 0 0 393.256 3.606 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3[nH]c(C)c(C(C)=O)c3C(C)C)C2)cc1 ZINC000855233133 880377736 /nfs/dbraw/zinc/37/77/36/880377736.db2.gz FEYUENPEWZOFDZ-MRXNPFEDSA-N 0 0 383.492 3.666 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cnc(Cc4ccccc4)s3)C2)cc1 ZINC000855233032 880378039 /nfs/dbraw/zinc/37/80/39/880378039.db2.gz DOOFPTACDPAQJK-QGZVFWFLSA-N 0 0 393.512 3.751 20 10 GHCDRN CCOc1ccc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1OCC ZINC000855234773 880378912 /nfs/dbraw/zinc/37/89/12/880378912.db2.gz MCRRDXYERZKHGU-KRWDZBQOSA-N 0 0 384.476 3.501 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3cc(C)ccc3Br)C2)cc1 ZINC000855234333 880378959 /nfs/dbraw/zinc/37/89/59/880378959.db2.gz XLCOROIYUDSDOM-AWEZNQCLSA-N 0 0 389.293 3.775 20 10 GHCDRN C[C@H]1CN(c2ccc(CNc3nc(C(F)(F)F)ns3)cc2F)C[C@H](C)O1 ZINC000791408525 880392233 /nfs/dbraw/zinc/39/22/33/880392233.db2.gz TWQMTTGSABUAKG-UWVGGRQHSA-N 0 0 390.406 3.922 20 10 GHCDRN COc1ccc(N2CCN(C(=O)CCc3cnc4ccccc4c3)CC2)cc1 ZINC000791452725 880417141 /nfs/dbraw/zinc/41/71/41/880417141.db2.gz QSGSKLVMCVTUIV-UHFFFAOYSA-N 0 0 375.472 3.525 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2nc(Br)ccc2F)cc1 ZINC000791520600 880478460 /nfs/dbraw/zinc/47/84/60/880478460.db2.gz HFPGYYDJWMBVDA-UHFFFAOYSA-N 0 0 380.261 3.759 20 10 GHCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cc2nccnc2cc1F ZINC000791518793 880478506 /nfs/dbraw/zinc/47/85/06/880478506.db2.gz VVTYJARAEDJSKZ-UHFFFAOYSA-N 0 0 397.365 3.797 20 10 GHCDRN Brc1cc(CN2CCc3ncncc3C2)ccc1N1CCCCC1 ZINC001183492107 912586723 /nfs/dbraw/zinc/58/67/23/912586723.db2.gz WDPKCABLLSMOPI-UHFFFAOYSA-N 0 0 387.325 3.788 20 10 GHCDRN CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2cccnc2)c(O)c1 ZINC000747039812 880657512 /nfs/dbraw/zinc/65/75/12/880657512.db2.gz HNEDOKUEATVSJA-NRFANRHFSA-N 0 0 375.428 3.953 20 10 GHCDRN O=C(CCNC(=O)N(Cc1ccco1)Cc1ccccc1O)Nc1ccccc1 ZINC000113629411 880716518 /nfs/dbraw/zinc/71/65/18/880716518.db2.gz QDTOPPMHWWHXPZ-UHFFFAOYSA-N 0 0 393.443 3.726 20 10 GHCDRN C/C(=C\C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)c2ccccc21)c1cnccn1 ZINC000855763626 880731927 /nfs/dbraw/zinc/73/19/27/880731927.db2.gz PJIRQSXTSDBNHR-LCJXNMAOSA-N 0 0 379.460 3.742 20 10 GHCDRN C[C@@H]1CN(Cc2ccccc2)C[C@]2(CC[N@H+](Cc3ccc(F)c(F)c3[O-])C2)O1 ZINC001183510855 912608313 /nfs/dbraw/zinc/60/83/13/912608313.db2.gz HQQSEDHKXWPVAH-OPAMFIHVSA-N 0 0 388.458 3.536 20 10 GHCDRN CC[C@@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(F)cc1[O-] ZINC000286183769 912610991 /nfs/dbraw/zinc/61/09/91/912610991.db2.gz QYBKUGFELLSODZ-FZKQIMNGSA-N 0 0 380.485 3.584 20 10 GHCDRN CC(C)OC(=O)CC[C@H](C)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000792078200 880885813 /nfs/dbraw/zinc/88/58/13/880885813.db2.gz XCOFTADJFUGWQM-SFHVURJKSA-N 0 0 389.540 3.842 20 10 GHCDRN [O-]c1ccc(Cl)c(F)c1CN1CCn2c(CCc3ccccc3)nnc2C1 ZINC000792165462 880956437 /nfs/dbraw/zinc/95/64/37/880956437.db2.gz GPICDAMTGGZKBT-UHFFFAOYSA-N 0 0 386.858 3.577 20 10 GHCDRN COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1c([O-])ccc(Cl)c1F)CC2 ZINC000792168764 880959481 /nfs/dbraw/zinc/95/94/81/880959481.db2.gz FRHDWNBDGFPEBH-UHFFFAOYSA-N 0 0 395.858 3.811 20 10 GHCDRN CC1(C)C[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c2ccccc2O1 ZINC000856208223 881041704 /nfs/dbraw/zinc/04/17/04/881041704.db2.gz ATIROIBEQYVUPL-NRFANRHFSA-N 0 0 394.515 3.609 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)C(F)(F)c1cccc(Cl)c1 ZINC000856210539 881044833 /nfs/dbraw/zinc/04/48/33/881044833.db2.gz GVURMMXSXJUZMM-UHFFFAOYSA-N 0 0 394.849 3.709 20 10 GHCDRN C[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856211925 881046175 /nfs/dbraw/zinc/04/61/75/881046175.db2.gz DOTXYDKYQFNCKK-INIZCTEOSA-N 0 0 386.923 3.796 20 10 GHCDRN Cc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c2nccc(C)c2c1 ZINC000856213772 881048369 /nfs/dbraw/zinc/04/83/69/881048369.db2.gz XBIVHQMNLDNWHO-UHFFFAOYSA-N 0 0 389.499 3.743 20 10 GHCDRN CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](COc3ccccc3)C2)c1O ZINC000792375909 881061363 /nfs/dbraw/zinc/06/13/63/881061363.db2.gz HOCOLLPDXZJAKX-GOSISDBHSA-N 0 0 375.852 3.528 20 10 GHCDRN Cc1cc(CC(=O)N2CCc3nccnc3C2)c(C)n1-c1ccc(Cl)cc1 ZINC000856243209 881064349 /nfs/dbraw/zinc/06/43/49/881064349.db2.gz WRKGZWUIYJCNTF-UHFFFAOYSA-N 0 0 380.879 3.665 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cnc(C(F)(F)F)cc2OC)c1 ZINC000792512822 881147936 /nfs/dbraw/zinc/14/79/36/881147936.db2.gz XYGISKXYDBKQFZ-VIFPVBQESA-N 0 0 385.342 3.706 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N(C)Cc2cc(OC)cc(OC)c2)cc1 ZINC000919911365 881159896 /nfs/dbraw/zinc/15/98/96/881159896.db2.gz YLBSQCZLHGESCH-UHFFFAOYSA-N 0 0 385.508 3.892 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000152970405 881273465 /nfs/dbraw/zinc/27/34/65/881273465.db2.gz ZRNDPQLJFSFDHU-UHFFFAOYSA-N 0 0 377.847 3.980 20 10 GHCDRN C[C@@H](NC(c1nccn1C)c1nccn1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000858466494 883120250 /nfs/dbraw/zinc/12/02/50/883120250.db2.gz BNERTJDDMJUJOR-MRXNPFEDSA-N 0 0 396.514 3.723 20 10 GHCDRN C[C@@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1cc(Cl)c(Cl)cc1[O-] ZINC000858564697 883202235 /nfs/dbraw/zinc/20/22/35/883202235.db2.gz VFYGTGLHICAOQM-HIFRSBDPSA-N 0 0 396.318 3.646 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000175029003 883215026 /nfs/dbraw/zinc/21/50/26/883215026.db2.gz DFSUHICJRONTRY-UHFFFAOYSA-N 0 0 379.504 3.778 20 10 GHCDRN Cc1ccc(CO[C@H](C)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000858590153 883218963 /nfs/dbraw/zinc/21/89/63/883218963.db2.gz LKTSPFPTDABDKK-GOSISDBHSA-N 0 0 384.545 3.770 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(C2CC2)[nH]c1C1CC1 ZINC000858626326 883242765 /nfs/dbraw/zinc/24/27/65/883242765.db2.gz YNUMOODLOKGBIO-UHFFFAOYSA-N 0 0 383.467 3.675 20 10 GHCDRN O=C(NCc1ccccc1O)c1cc(Cl)ccc1I ZINC000225107167 883264756 /nfs/dbraw/zinc/26/47/56/883264756.db2.gz BTPBHSHPYRLUOR-UHFFFAOYSA-N 0 0 387.604 3.580 20 10 GHCDRN Cc1nc2ccccc2n1CCC(=O)NCc1cc(Br)ccc1O ZINC000804735721 883316253 /nfs/dbraw/zinc/31/62/53/883316253.db2.gz DNZUMCCQSQVIKB-UHFFFAOYSA-N 0 0 388.265 3.519 20 10 GHCDRN O=C(COc1ccc(F)c(Cl)c1)NCc1cc(Br)ccc1O ZINC000804734252 883316587 /nfs/dbraw/zinc/31/65/87/883316587.db2.gz GQNMTBVDWJKUKS-UHFFFAOYSA-N 0 0 388.620 3.642 20 10 GHCDRN CC(C)CC(=O)Nc1cccc(CNC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000064412536 883326993 /nfs/dbraw/zinc/32/69/93/883326993.db2.gz IKSHKSSLVPPZMQ-UHFFFAOYSA-N 0 0 382.508 3.737 20 10 GHCDRN COc1ccc(N2CCN(C(=O)N[C@@H](c3ccccn3)C3CCC3)CC2)cc1F ZINC000858752854 883328221 /nfs/dbraw/zinc/32/82/21/883328221.db2.gz FVAXDPRSRLUEFT-OAQYLSRUSA-N 0 0 398.482 3.602 20 10 GHCDRN Cc1cc(CNc2cc(N3CC[C@H]([C@@H](C)O)C3)ncn2)c(C)n1-c1ccccc1 ZINC000858802229 883366116 /nfs/dbraw/zinc/36/61/16/883366116.db2.gz FXIFFOPFYLIDIY-MOPGFXCFSA-N 0 0 391.519 3.703 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000858826527 883383246 /nfs/dbraw/zinc/38/32/46/883383246.db2.gz KDCLEDKXBDIJDF-INIZCTEOSA-N 0 0 394.441 3.894 20 10 GHCDRN CCOC(=O)c1cc(NCc2cc(Br)ccc2O)ncc1Cl ZINC000804828690 883389128 /nfs/dbraw/zinc/38/91/28/883389128.db2.gz WHEORGKKWBKGNC-UHFFFAOYSA-N 0 0 385.645 3.992 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ncoc1CCC(F)(F)F ZINC001129975501 883399561 /nfs/dbraw/zinc/39/95/61/883399561.db2.gz ZUAAYUFBLFRPBI-CYBMUJFWSA-N 0 0 383.414 3.905 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccnc(Oc4ccccc4)c3)CC2)cc1 ZINC000116389390 883406341 /nfs/dbraw/zinc/40/63/41/883406341.db2.gz UPDFXXDOQQZOKB-UHFFFAOYSA-N 0 0 389.455 3.845 20 10 GHCDRN C[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1cc(Br)cc(F)c1[O-] ZINC000184988725 883409088 /nfs/dbraw/zinc/40/90/88/883409088.db2.gz ZIPABSRHUZDKHH-NSHDSACASA-N 0 0 391.244 3.725 20 10 GHCDRN Cc1cc(CNC(=O)N2CCO[C@]3(CCSC3)C2)c(C)n1-c1ccccc1 ZINC000858907364 883446939 /nfs/dbraw/zinc/44/69/39/883446939.db2.gz WQKCCAKSUPMRHV-OAQYLSRUSA-N 0 0 385.533 3.512 20 10 GHCDRN CCOc1cc(C)ccc1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761679620 883448992 /nfs/dbraw/zinc/44/89/92/883448992.db2.gz NVXNOLJGBFZFDW-UHFFFAOYSA-N 0 0 388.851 3.717 20 10 GHCDRN CN(C)c1ccc(CNC(=O)NCc2csc(C(F)(F)F)c2)cc1F ZINC000858924546 883464156 /nfs/dbraw/zinc/46/41/56/883464156.db2.gz YMVKMZOIEFQXTL-UHFFFAOYSA-N 0 0 375.391 3.971 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@H]2CCC(=O)C[C@H]2C)c(C)n1-c1cccc(F)c1 ZINC000760555994 883465401 /nfs/dbraw/zinc/46/54/01/883465401.db2.gz QUCXJCOYAFYCIL-YJYMSZOUSA-N 0 0 385.435 3.964 20 10 GHCDRN COc1ccc(Br)c(CN(C)C(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000760547615 883466478 /nfs/dbraw/zinc/46/64/78/883466478.db2.gz ILVXWZNAVHVEEU-XBXARRHUSA-N 0 0 392.249 3.541 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cc(C)c(Br)o3)C2)cc1 ZINC001129993018 883468510 /nfs/dbraw/zinc/46/85/10/883468510.db2.gz FHRDVZBDLPXCCB-ZDUSSCGKSA-N 0 0 393.281 3.615 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCC(n3ccnc3)CC2)ccc1C ZINC000858933672 883473698 /nfs/dbraw/zinc/47/36/98/883473698.db2.gz QXFIXWIYHKNVGE-UHFFFAOYSA-N 0 0 390.487 3.889 20 10 GHCDRN Cc1cc(C(=O)N2CCCC[C@H]2COC(=O)NC(C)C)c(C)n1-c1ccccn1 ZINC000804930441 883496169 /nfs/dbraw/zinc/49/61/69/883496169.db2.gz HMVRGGJQMMURHC-SFHVURJKSA-N 0 0 398.507 3.618 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1Cc2ccccc2C1 ZINC000761683894 883499390 /nfs/dbraw/zinc/49/93/90/883499390.db2.gz VYKBBCNNLJVORE-UHFFFAOYSA-N 0 0 386.442 3.788 20 10 GHCDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCCc1ccc(O)c(O)c1 ZINC000774666170 912716814 /nfs/dbraw/zinc/71/68/14/912716814.db2.gz DORFLUITAZFOFC-UHFFFAOYSA-N 0 0 393.268 3.710 20 10 GHCDRN O=C(NCc1cccc2cccnc21)NCc1cc(Br)ccc1O ZINC000805016794 883532512 /nfs/dbraw/zinc/53/25/12/883532512.db2.gz KUEXTTZZHRQPMK-UHFFFAOYSA-N 0 0 386.249 3.702 20 10 GHCDRN Cc1cccc(CN(C)C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000805022902 883537666 /nfs/dbraw/zinc/53/76/66/883537666.db2.gz HRVBQRJCCDCQMZ-UHFFFAOYSA-N 0 0 393.531 3.506 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)N[C@H]1CCCOc2ccccc21 ZINC000805034787 883576016 /nfs/dbraw/zinc/57/60/16/883576016.db2.gz SVXVUCSPQFRIAP-HNNXBMFYSA-N 0 0 391.265 3.868 20 10 GHCDRN Cc1csc(-c2nnc(N(C)Cc3ccccc3O)n2C[C@H]2CCCO2)c1 ZINC000859086599 883581081 /nfs/dbraw/zinc/58/10/81/883581081.db2.gz LIZAKXIVWGCCAG-MRXNPFEDSA-N 0 0 384.505 3.836 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)[C@@H](C)OCc3ccc(C)cc3)CC2)cc1 ZINC000859097981 883586211 /nfs/dbraw/zinc/58/62/11/883586211.db2.gz XWVQDNCXQUNTMY-GOSISDBHSA-N 0 0 382.504 3.694 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)[C@H](C)OCc3ccccc3C)CC2)cc1 ZINC000859097299 883586571 /nfs/dbraw/zinc/58/65/71/883586571.db2.gz NHGSYEIGHGNLHS-SFHVURJKSA-N 0 0 382.504 3.694 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)N[C@H]1CCc2ccc(F)cc21 ZINC000805081972 883598508 /nfs/dbraw/zinc/59/85/08/883598508.db2.gz HKUAUAUACRHNJD-HNNXBMFYSA-N 0 0 379.229 3.781 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2nc3c(s2)COCC3)cc1 ZINC000859150745 883620677 /nfs/dbraw/zinc/62/06/77/883620677.db2.gz LCSRJVDSPYJVQG-UHFFFAOYSA-N 0 0 395.484 3.617 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H](C)c2c(C)noc2C)cc1 ZINC000859387196 883789666 /nfs/dbraw/zinc/78/96/66/883789666.db2.gz RXRCDTQQPLVULC-AWEZNQCLSA-N 0 0 379.460 3.931 20 10 GHCDRN C[C@H]1CC[C@H](C)N(C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C1 ZINC000175449972 883810038 /nfs/dbraw/zinc/81/00/38/883810038.db2.gz SRJBRIKNGZOYMM-STQMWFEESA-N 0 0 392.411 3.631 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCOC[C@H]2c2ccco2)c1 ZINC000859442239 883816022 /nfs/dbraw/zinc/81/60/22/883816022.db2.gz MMXJNPVSNXEMDV-FQEVSTJZSA-N 0 0 378.428 3.713 20 10 GHCDRN O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NCCCC1CC1 ZINC001130254371 883899258 /nfs/dbraw/zinc/89/92/58/883899258.db2.gz UQTOFPAZGCMFRV-FOWTUZBSSA-N 0 0 392.521 3.723 20 10 GHCDRN Cc1nn(C)c2nc(C)cc(C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)c12 ZINC000914505802 883899412 /nfs/dbraw/zinc/89/94/12/883899412.db2.gz RMNBSTAQDMHPHS-UHFFFAOYSA-N 0 0 379.508 3.702 20 10 GHCDRN Cc1cc(C(=O)Nc2cccc(C[S@](C)=O)c2C)c(C)n1-c1ccccn1 ZINC000116848724 883947521 /nfs/dbraw/zinc/94/75/21/883947521.db2.gz JOCZNCAEEWYQPQ-HHHXNRCGSA-N 0 0 381.501 3.928 20 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/nfs/dbraw/zinc/80/29/88/912802988.db2.gz SMDVISXOXDGAFE-IBGZPJMESA-N 0 0 393.325 3.688 20 10 GHCDRN COc1cccc2c1CC[C@@H]2NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000154799468 884261335 /nfs/dbraw/zinc/26/13/35/884261335.db2.gz XCSVBLAPEYQDFW-PXNSSMCTSA-N 0 0 396.487 3.779 20 10 GHCDRN COC(=O)CC1CCN(CC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1 ZINC000918742152 884264967 /nfs/dbraw/zinc/26/49/67/884264967.db2.gz XOAMZTVPYPHQJI-UHFFFAOYSA-N 0 0 382.504 3.860 20 10 GHCDRN C[C@@H](c1ccccc1Br)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841958992 884339945 /nfs/dbraw/zinc/33/99/45/884339945.db2.gz JTLAMEZSXBXINY-ZDUSSCGKSA-N 0 0 376.298 3.976 20 10 GHCDRN Cc1cc(C(=O)O[C@H](C)C(=O)Nc2c(F)cccc2F)c(C)n1-c1ccccn1 ZINC000914613634 884351292 /nfs/dbraw/zinc/35/12/92/884351292.db2.gz RZTFICQWEQWUPF-CQSZACIVSA-N 0 0 399.397 3.951 20 10 GHCDRN Nc1ccc(CCNC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000841961129 884369266 /nfs/dbraw/zinc/36/92/66/884369266.db2.gz ACNIXFYCSXLVGJ-UHFFFAOYSA-N 0 0 385.895 3.769 20 10 GHCDRN CC[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cccc(Cl)c1[O-] ZINC000806139652 884383964 /nfs/dbraw/zinc/38/39/64/884383964.db2.gz CDYXHYXFSXONRG-JRGCBEDISA-N 0 0 388.939 3.969 20 10 GHCDRN CC[C@@H]([NH2+][C@H]1CCN(c2cc(C)nn2C)C1=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000806146565 884406538 /nfs/dbraw/zinc/40/65/38/884406538.db2.gz CBYHIWCGGARPMH-CABCVRRESA-N 0 0 397.306 3.587 20 10 GHCDRN CC[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1cccc(Cl)c1[O-] ZINC000806157896 884414497 /nfs/dbraw/zinc/41/44/97/884414497.db2.gz BPNOQDFTCZCJHZ-GOSISDBHSA-N 0 0 394.924 3.826 20 10 GHCDRN CC(=O)Nc1cccc(NC(=O)NCc2cc(Br)ccc2O)c1C ZINC000806185999 884428361 /nfs/dbraw/zinc/42/83/61/884428361.db2.gz ZWNUTTGAHGWBAU-UHFFFAOYSA-N 0 0 392.253 3.743 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c1 ZINC000860241005 884472595 /nfs/dbraw/zinc/47/25/95/884472595.db2.gz DZKCEKCCOIPGAB-BKGUAONASA-N 0 0 395.377 3.760 20 10 GHCDRN CC[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccc(Cl)s1 ZINC000806228281 884490776 /nfs/dbraw/zinc/49/07/76/884490776.db2.gz WUPIBLQEYDQEAL-DOMZBBRYSA-N 0 0 393.940 3.912 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCCc2cnc(C)s2)cc1 ZINC000860285695 884525872 /nfs/dbraw/zinc/52/58/72/884525872.db2.gz KXDABGVRJUQTAT-UHFFFAOYSA-N 0 0 381.501 3.573 20 10 GHCDRN C[C@@H](CCC1CCCCC1)NC(=O)C(=O)NCCCSc1nccs1 ZINC000806282912 884536698 /nfs/dbraw/zinc/53/66/98/884536698.db2.gz YIQHKEZPDRRSLO-AWEZNQCLSA-N 0 0 383.583 3.607 20 10 GHCDRN COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142527470 884543493 /nfs/dbraw/zinc/54/34/93/884543493.db2.gz VWKHZDNZRAPTBY-ICSRJNTNSA-N 0 0 375.415 3.982 20 10 GHCDRN CC(C)CC[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C(C)(C)C ZINC000806319956 884580456 /nfs/dbraw/zinc/58/04/56/884580456.db2.gz VJXQODNWIDTLNQ-FQEVSTJZSA-N 0 0 385.552 3.646 20 10 GHCDRN COc1ccc2c(c1)CC[C@@H]2C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000860346568 884582504 /nfs/dbraw/zinc/58/25/04/884582504.db2.gz DWLIBFALDILJAT-FPOVZHCZSA-N 0 0 381.472 3.638 20 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CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(C)c(F)cc1Cl ZINC000806846781 885021899 /nfs/dbraw/zinc/02/18/99/885021899.db2.gz XCCKPLUEXAIALI-UHFFFAOYSA-N 0 0 391.874 3.841 20 10 GHCDRN COc1ccc2cc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)ccc2c1 ZINC000806846119 885021979 /nfs/dbraw/zinc/02/19/79/885021979.db2.gz DCWHVMHEEBMYSL-UHFFFAOYSA-N 0 0 391.471 3.512 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3cnn(C(C)C)c3Cl)C2)cc1 ZINC000860841766 885041801 /nfs/dbraw/zinc/04/18/01/885041801.db2.gz CMJFSRHWOPECNO-AWEZNQCLSA-N 0 0 377.872 3.809 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)N[C@@H]1CSc2ccccc21 ZINC000806828042 885042390 /nfs/dbraw/zinc/04/23/90/885042390.db2.gz AHKKUUKETHJGLF-CYBMUJFWSA-N 0 0 379.279 3.801 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)ccc1C ZINC000860848287 885047281 /nfs/dbraw/zinc/04/72/81/885047281.db2.gz KUCQMHCNYDIVKH-IRLDBZIGSA-N 0 0 380.488 3.902 20 10 GHCDRN C[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@@H](C)c1ccccc1 ZINC000806869319 885071163 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Nc1ccc(N(Cc2ccccc2)C(=O)[C@@H](O)Cc2c[nH]c3ccccc23)cc1 ZINC001184301510 913113090 /nfs/dbraw/zinc/11/30/90/913113090.db2.gz NAKSZFQMTJTTLW-QHCPKHFHSA-N 0 0 385.467 3.887 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NC1(c2cccc(F)c2)CC1 ZINC000119452681 887108837 /nfs/dbraw/zinc/10/88/37/887108837.db2.gz RHNBLBAYPYUXIE-UHFFFAOYSA-N 0 0 385.508 3.867 20 10 GHCDRN CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)[C@@H]1CCC(=O)N1C ZINC001184310132 913121230 /nfs/dbraw/zinc/12/12/30/913121230.db2.gz KPFYEZYZMWVAEN-QHCPKHFHSA-N 0 0 388.511 3.686 20 10 GHCDRN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)[C@H]2C1 ZINC000809196340 887191126 /nfs/dbraw/zinc/19/11/26/887191126.db2.gz STHRAMJDYLXMTH-BULFRSBZSA-N 0 0 397.494 3.610 20 10 GHCDRN Nc1ccc(Cc2noc([C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)n2)cc1 ZINC000863656418 887265747 /nfs/dbraw/zinc/26/57/47/887265747.db2.gz PZFQYRKTGFORNY-RHSMWYFYSA-N 0 0 375.350 3.892 20 10 GHCDRN Cc1cc(CCNC(=O)C2CCN(CC(F)F)CC2)c(C)n1-c1ccccc1 ZINC000863834834 887397547 /nfs/dbraw/zinc/39/75/47/887397547.db2.gz NKVJMKCUACTFRI-UHFFFAOYSA-N 0 0 389.490 3.730 20 10 GHCDRN Cc1ccccc1[C@@H]1C(=O)NCCN1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000863949413 887478153 /nfs/dbraw/zinc/47/81/53/887478153.db2.gz HAMXAZLQDPJZNB-HSZRJFAPSA-N 0 0 377.532 3.967 20 10 GHCDRN COc1cc(CN2CCNC(=O)[C@@H]2c2ccccc2C)c(O)c(C(C)(C)C)c1 ZINC000863949768 887479850 /nfs/dbraw/zinc/47/98/50/887479850.db2.gz RTTNNQJNOSWTSP-FQEVSTJZSA-N 0 0 382.504 3.680 20 10 GHCDRN CCCNS(=O)(=O)c1ccc(NCc2ccc(N(CC)CC)cc2)cc1 ZINC000864043814 887530068 /nfs/dbraw/zinc/53/00/68/887530068.db2.gz WQHZUVRKSCEQIG-UHFFFAOYSA-N 0 0 375.538 3.833 20 10 GHCDRN CCOC(=O)c1ncc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)s1 ZINC001131782031 887603189 /nfs/dbraw/zinc/60/31/89/887603189.db2.gz SSHSMKOVDRUHSD-UHFFFAOYSA-N 0 0 397.500 3.700 20 10 GHCDRN Cc1cc(C(=O)O[C@@H]2CCO[C@@H]([C@H]3CCOC3)C2)c(C)n1-c1ccc(F)cc1 ZINC000763079588 887631509 /nfs/dbraw/zinc/63/15/09/887631509.db2.gz CCRPYPURWCHVIQ-LDQXTDLNSA-N 0 0 387.451 3.974 20 10 GHCDRN CN(C)c1ccc(CNC(=O)c2cc(N3CCCC3=O)ccc2Cl)cc1F ZINC000120011932 887738133 /nfs/dbraw/zinc/73/81/33/887738133.db2.gz SGLADAIGUHWYTP-UHFFFAOYSA-N 0 0 389.858 3.602 20 10 GHCDRN Cc1cc(C(=O)O[C@H]2CCO[C@@H](C3CCOCC3)C2)c(C)n1-c1ccccn1 ZINC000763123992 887761305 /nfs/dbraw/zinc/76/13/05/887761305.db2.gz HHNHFBWSONLCMW-AZUAARDMSA-N 0 0 384.476 3.620 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@](O)(c1ccc(C)o1)C(F)(F)F ZINC000120069229 887779467 /nfs/dbraw/zinc/77/94/67/887779467.db2.gz XTVIXBQLGZPQJR-IBGZPJMESA-N 0 0 398.425 3.843 20 10 GHCDRN Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000809750305 887785990 /nfs/dbraw/zinc/78/59/90/887785990.db2.gz TVTCUJXXUADMNH-HNNXBMFYSA-N 0 0 395.297 3.859 20 10 GHCDRN CN(C)c1cc(F)c(C[NH2+][C@H](Cc2c(F)cccc2Cl)C(=O)[O-])cc1F ZINC000864510069 887815220 /nfs/dbraw/zinc/81/52/20/887815220.db2.gz RKQRWMLJSIMBEB-MRXNPFEDSA-N 0 0 386.801 3.609 20 10 GHCDRN Cc1cc(-c2nnc(N(CCCCO)C3CC3)n2C)c(C)n1-c1ccccc1 ZINC000809858128 887927577 /nfs/dbraw/zinc/92/75/77/887927577.db2.gz CIDYNMYRPODXQJ-UHFFFAOYSA-N 0 0 379.508 3.631 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)CC2)cc1 ZINC000809913466 887935858 /nfs/dbraw/zinc/93/58/58/887935858.db2.gz KSNYDAJRTLWOSA-UHFFFAOYSA-N 0 0 390.827 3.611 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2nc([C@@H](C)OC)ns2)cc1F ZINC000809923394 887973959 /nfs/dbraw/zinc/97/39/59/887973959.db2.gz KMBHEVREPLRTBT-LLVKDONJSA-N 0 0 381.477 3.553 20 10 GHCDRN Cc1cc(C(=O)COC(=O)CCC(F)F)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000796018543 913205488 /nfs/dbraw/zinc/20/54/88/913205488.db2.gz RNWPPGOXFWNNEU-UHFFFAOYSA-N 0 0 393.386 3.637 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000810165161 888225235 /nfs/dbraw/zinc/22/52/35/888225235.db2.gz LJLPSPBXTWCZBN-APWZRJJASA-N 0 0 376.294 3.719 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c1 ZINC000810165165 888225700 /nfs/dbraw/zinc/22/57/00/888225700.db2.gz LJLPSPBXTWCZBN-QFBILLFUSA-N 0 0 376.294 3.719 20 10 GHCDRN CCn1c2ccc(F)cc2nc1/C(Cl)=C/c1cn(C[C@H]2CCOC2)nn1 ZINC000865217872 888251249 /nfs/dbraw/zinc/25/12/49/888251249.db2.gz NIRRPPGRGHDXLY-PWDRSIHYSA-N 0 0 375.835 3.560 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1noc(-c2ccccc2)n1 ZINC000135957869 888270381 /nfs/dbraw/zinc/27/03/81/888270381.db2.gz MTCHUYAVLRFGQI-INIZCTEOSA-N 0 0 389.459 3.673 20 10 GHCDRN Cc1cc([C@H](C)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)no1 ZINC000810233963 888309346 /nfs/dbraw/zinc/30/93/46/888309346.db2.gz UINANTHFDXBIES-HNAYVOBHSA-N 0 0 388.512 3.966 20 10 GHCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCN(c3ccccc3Cl)C2)cc1F ZINC000810266209 888330065 /nfs/dbraw/zinc/33/00/65/888330065.db2.gz XGTCGJRNSMRJFL-OAHLLOKOSA-N 0 0 375.875 3.688 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3ccc(N4CCC(C)=N4)cc3)CC2)cc1 ZINC000055878514 888337542 /nfs/dbraw/zinc/33/75/42/888337542.db2.gz OFXSKDHIGXRUNG-UHFFFAOYSA-N 0 0 392.503 3.634 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2nc3cc(Cl)ccn3n2)cc1F ZINC000810249278 888350917 /nfs/dbraw/zinc/35/09/17/888350917.db2.gz SHQQTUCQEPAKSA-UHFFFAOYSA-N 0 0 390.850 3.690 20 10 GHCDRN Cc1cc(CNC(=O)c2ccc(CS(C)(=O)=O)cc2)c(C)n1-c1ccccc1 ZINC001132263272 888484714 /nfs/dbraw/zinc/48/47/14/888484714.db2.gz BWQLFVREBHAPRX-UHFFFAOYSA-N 0 0 396.512 3.569 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Cc2nnc(-c3ccccc3)o2)cc1F ZINC000865637267 888491926 /nfs/dbraw/zinc/49/19/26/888491926.db2.gz ZGPGWZQPXHXXJI-UHFFFAOYSA-N 0 0 382.439 3.581 20 10 GHCDRN CCO[C@H](C)c1nc(CN(CC(=O)OC)Cc2cc(Cl)ccc2O)cs1 ZINC000120771309 888612540 /nfs/dbraw/zinc/61/25/40/888612540.db2.gz WVKWWXMEXXWMRW-GFCCVEGCSA-N 0 0 398.912 3.775 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1Cc2ccc(Cl)cc21 ZINC000865953157 888663194 /nfs/dbraw/zinc/66/31/94/888663194.db2.gz YGFMEYQDMKRZDB-NRFANRHFSA-N 0 0 384.907 3.505 20 10 GHCDRN C[C@H](CCc1ccc(O)cc1)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000916235112 888842806 /nfs/dbraw/zinc/84/28/06/888842806.db2.gz AEWHXOUCVFZOBF-UTKZUKDTSA-N 0 0 398.503 3.810 20 10 GHCDRN C[C@@H]([NH2+]Cc1c(Br)cnn1C)c1cccc(C(F)(F)F)c1[O-] ZINC000866432194 888873512 /nfs/dbraw/zinc/87/35/12/888873512.db2.gz MXGCITGHNVLZCA-MRVPVSSYSA-N 0 0 378.192 3.758 20 10 GHCDRN CC[C@@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1cc(Cl)cc(Cl)c1[O-] ZINC000866628724 888981145 /nfs/dbraw/zinc/98/11/45/888981145.db2.gz MWHZJHZBUBACRG-CYBMUJFWSA-N 0 0 384.263 3.508 20 10 GHCDRN CN1C(=O)/C(=C/c2nccn2Cc2ccccc2)c2cc(Br)cnc21 ZINC000794954524 889045752 /nfs/dbraw/zinc/04/57/52/889045752.db2.gz UXZXMOJPVLGFLE-MHWRWJLKSA-N 0 0 395.260 3.606 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)cc1 ZINC000916503148 889075701 /nfs/dbraw/zinc/07/57/01/889075701.db2.gz UYLMVPJFFWKIJJ-QFIPXVFZSA-N 0 0 395.547 3.912 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=S)NCCCCC(F)(F)F ZINC000794970312 889101247 /nfs/dbraw/zinc/10/12/47/889101247.db2.gz OCTZYMITDONMRD-UHFFFAOYSA-N 0 0 389.487 3.562 20 10 GHCDRN CN(C)c1ccc(CNC(=O)COc2ccc(Oc3ccccn3)cc2)cc1F ZINC000121739727 889115762 /nfs/dbraw/zinc/11/57/62/889115762.db2.gz GMPMFUFGDVTKAV-UHFFFAOYSA-N 0 0 395.434 3.774 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000121758701 889121389 /nfs/dbraw/zinc/12/13/89/889121389.db2.gz WXHRIYQWLAGAMV-UHFFFAOYSA-N 0 0 386.757 3.662 20 10 GHCDRN CCn1c(CN(C)Cc2ccc(N3CCOCC3)cc2)nc2c1cccc2F ZINC000154086336 889170230 /nfs/dbraw/zinc/17/02/30/889170230.db2.gz OWVQJBNQIDUWFT-UHFFFAOYSA-N 0 0 382.483 3.664 20 10 GHCDRN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000121909565 889209233 /nfs/dbraw/zinc/20/92/33/889209233.db2.gz PLCIVQYOPDRCMY-QHCPKHFHSA-N 0 0 389.499 3.649 20 10 GHCDRN Cc1c(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000916668865 889300919 /nfs/dbraw/zinc/30/09/19/889300919.db2.gz GOPICDHHFRHAFO-MRXNPFEDSA-N 0 0 385.420 3.822 20 10 GHCDRN Cc1cncc([C@H]2CCCN2C(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000868116367 889303374 /nfs/dbraw/zinc/30/33/74/889303374.db2.gz KAWFOQHUOYSWLD-OAQYLSRUSA-N 0 0 396.560 3.990 20 10 GHCDRN COc1ccc(-c2cnc(CN3CCN(c4ccc(OC)c(F)c4)CC3)o2)cc1 ZINC000122080089 889363527 /nfs/dbraw/zinc/36/35/27/889363527.db2.gz LFKCHIMUCVHPDK-UHFFFAOYSA-N 0 0 397.450 3.820 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2ncn(C)n2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000811358877 889467510 /nfs/dbraw/zinc/46/75/10/889467510.db2.gz ZHDYOBHYRQPORJ-UHFFFAOYSA-N 0 0 394.475 3.560 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](c1ccccc1)C(C)(C)CO ZINC000122203730 889511331 /nfs/dbraw/zinc/51/13/31/889511331.db2.gz JNZZYUNTRQRVGV-OAQYLSRUSA-N 0 0 383.536 3.663 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc(N=S(C)(C)=O)cc1 ZINC000868889364 889647038 /nfs/dbraw/zinc/64/70/38/889647038.db2.gz IPCSSXKPQUJJGW-MRXNPFEDSA-N 0 0 387.549 3.781 20 10 GHCDRN COc1cc(Br)cc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1O ZINC000811518261 889672328 /nfs/dbraw/zinc/67/23/28/889672328.db2.gz IAAVAEDDVWKEKU-YOEHRIQHSA-N 0 0 382.298 3.697 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3c(F)cc(OC)cc3Cl)C2)cc1 ZINC000868956292 889685023 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Cc1c(COC(C)(C)C)cccc1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC000747748546 890063509 /nfs/dbraw/zinc/06/35/09/890063509.db2.gz OOFZXLMOAPHWKI-UHFFFAOYSA-N 0 0 384.476 3.613 20 10 GHCDRN Cc1cccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000122775995 890075193 /nfs/dbraw/zinc/07/51/93/890075193.db2.gz UGWRNMAEFAFUNS-AWEZNQCLSA-N 0 0 376.407 3.782 20 10 GHCDRN CC[C@@]1(CNC(=O)N[C@@H](C)c2cc(OC)ccc2O)OCCc2ccccc21 ZINC000811925751 890119659 /nfs/dbraw/zinc/11/96/59/890119659.db2.gz AVYSICDIKQGKEE-NYHFZMIOSA-N 0 0 384.476 3.639 20 10 GHCDRN COc1cccc(C2(CNC(=O)NCCCSc3nccs3)CC2)c1 ZINC000812154535 890341983 /nfs/dbraw/zinc/34/19/83/890341983.db2.gz TVUFCHBSDKLTMZ-UHFFFAOYSA-N 0 0 377.535 3.665 20 10 GHCDRN CC(=O)c1cc(Cl)cc(CN2[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]2C)c1O ZINC000795118393 890352867 /nfs/dbraw/zinc/35/28/67/890352867.db2.gz BJOAUTVWTPRLNR-STQMWFEESA-N 0 0 380.916 3.716 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc(-c2ccccc2F)n1C[C@H]1CCCO1 ZINC000812254853 890460224 /nfs/dbraw/zinc/46/02/24/890460224.db2.gz LHBXKCCCDJWVDA-MRXNPFEDSA-N 0 0 382.439 3.605 20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)C3C[C@H]4CC[C@@H](C3)S4)cc2F)C[C@H](C)O1 ZINC000888289949 890483528 /nfs/dbraw/zinc/48/35/28/890483528.db2.gz SXSLRXWWFPOKQG-COSYGPSOSA-N 0 0 392.540 3.730 20 10 GHCDRN Cc1ccccc1Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCOC1 ZINC000812381050 890591615 /nfs/dbraw/zinc/59/16/15/890591615.db2.gz VEDJNYKCKVQKHG-GOSISDBHSA-N 0 0 392.503 3.556 20 10 GHCDRN CCc1ncsc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000123439042 890600023 /nfs/dbraw/zinc/60/00/23/890600023.db2.gz DSVBYSYPTUUUKT-LBPRGKRZSA-N 0 0 381.448 3.706 20 10 GHCDRN O=C(NCCc1ccc(O)c(O)c1)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000812535868 890724528 /nfs/dbraw/zinc/72/45/28/890724528.db2.gz IVUUNNJZTWZXPH-UHFFFAOYSA-N 0 0 392.333 3.744 20 10 GHCDRN NC(=O)[C@H]1CCCN(c2ccc(CN[C@@H](c3ccccc3)C(F)(F)F)cc2)C1 ZINC000812718119 890894631 /nfs/dbraw/zinc/89/46/31/890894631.db2.gz NPRNVNOYAQFENN-HKUYNNGSSA-N 0 0 391.437 3.782 20 10 GHCDRN COc1ccc(CCNC(=O)N(C)Cc2ccc(N(C)C)cc2)c(Cl)c1 ZINC000123792819 891009827 /nfs/dbraw/zinc/00/98/27/891009827.db2.gz RFRVVKXLEUWLAT-UHFFFAOYSA-N 0 0 375.900 3.799 20 10 GHCDRN COc1ccc(C[NH2+]C[C@@H](CC(=O)[O-])C2CCCCC2)cc1Cn1cccn1 ZINC000871876216 891068350 /nfs/dbraw/zinc/06/83/50/891068350.db2.gz VWYACPAFABKEQL-LJQANCHMSA-N 0 0 385.508 3.701 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NCCc3ccc(F)cc3C)CC2)cc1 ZINC000123855269 891075830 /nfs/dbraw/zinc/07/58/30/891075830.db2.gz RYUJGRGXBDTXFM-UHFFFAOYSA-N 0 0 385.483 3.653 20 10 GHCDRN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cc1 ZINC000123893817 891098536 /nfs/dbraw/zinc/09/85/36/891098536.db2.gz ZYNXFXWXBNLPKC-UHFFFAOYSA-N 0 0 376.478 3.608 20 10 GHCDRN CCn1cc(CCSc2ncc(-c3ccc4c(c3)OCCO4)n2CC)cn1 ZINC000795196740 891099220 /nfs/dbraw/zinc/09/92/20/891099220.db2.gz FQQMIZWPQHZMSG-UHFFFAOYSA-N 0 0 384.505 3.892 20 10 GHCDRN O=[N+]([O-])c1ccccc1CN(Cc1cc2c(cc1O)OCO2)CC(F)(F)F ZINC000054497081 891118339 /nfs/dbraw/zinc/11/83/39/891118339.db2.gz RYBATXAPEBMVEV-UHFFFAOYSA-N 0 0 384.310 3.594 20 10 GHCDRN C[C@@H]1CC[C@@H](NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)C1 ZINC001133566892 891224662 /nfs/dbraw/zinc/22/46/62/891224662.db2.gz UMYSEYASILAZSU-AQXUCWCGSA-N 0 0 392.521 3.722 20 10 GHCDRN CC[C@@H]([NH2+]C1CCN(C(=O)CCOC)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287809471 913546104 /nfs/dbraw/zinc/54/61/04/913546104.db2.gz UPOALBGDJXDIMU-MRXNPFEDSA-N 0 0 389.323 3.767 20 10 GHCDRN Cn1nc2c(c1CNC(=O)N(Cc1ccco1)Cc1ccccc1O)CCCC2 ZINC000813233512 891386788 /nfs/dbraw/zinc/38/67/88/891386788.db2.gz PLXGEHGJVPMYST-UHFFFAOYSA-N 0 0 394.475 3.510 20 10 GHCDRN O=C([O-])[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841795673 891541266 /nfs/dbraw/zinc/54/12/66/891541266.db2.gz LMSRMJJUODDWQY-LJQANCHMSA-N 0 0 397.475 3.761 20 10 GHCDRN CC[C@@H](O)CN(Cc1ccccc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000179175035 891558804 /nfs/dbraw/zinc/55/88/04/891558804.db2.gz PVUROBYHUDTQJI-JOCHJYFZSA-N 0 0 381.520 3.770 20 10 GHCDRN C[C@H](c1cccc(O)c1)N(C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000067634881 891571543 /nfs/dbraw/zinc/57/15/43/891571543.db2.gz HDVASNSTFDJYAV-DLBZAZTESA-N 0 0 383.492 3.692 20 10 GHCDRN CCc1nc2cccc(F)c2n1CC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC001185005044 913572551 /nfs/dbraw/zinc/57/25/51/913572551.db2.gz ISEKRMYYBNEKMQ-UHFFFAOYSA-N 0 0 382.483 3.853 20 10 GHCDRN COc1ccc(O)c(CNC(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)c1 ZINC000154323615 891614345 /nfs/dbraw/zinc/61/43/45/891614345.db2.gz SRYVHMLPQMOTRN-UHFFFAOYSA-N 0 0 384.354 3.972 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2cccc(-c3cn(C)nn3)c2)cc1 ZINC000825692372 891780657 /nfs/dbraw/zinc/78/06/57/891780657.db2.gz JMWUKDQNTXQDDP-UHFFFAOYSA-N 0 0 378.480 3.650 20 10 GHCDRN Cc1ccc(C[C@H](C)NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000124654735 891800882 /nfs/dbraw/zinc/80/08/82/891800882.db2.gz VAOAKBBKUJTWHI-RDJZCZTQSA-N 0 0 387.549 3.885 20 10 GHCDRN C[C@@H](NC(=O)N1Cc2ccccc2O[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000813604826 891807494 /nfs/dbraw/zinc/80/74/94/891807494.db2.gz BMDQRWCIBULANW-QZTJIDSGSA-N 0 0 395.503 3.577 20 10 GHCDRN C[C@@H](NC(=O)NC1(c2noc(C(F)F)n2)CCC1)c1ccc(N(C)C)cc1 ZINC000813720759 891897636 /nfs/dbraw/zinc/89/76/36/891897636.db2.gz WZVBDPCMIJJVMX-LLVKDONJSA-N 0 0 379.411 3.513 20 10 GHCDRN CCOc1cccc(CNc2cccc(Oc3ccnc(C(=O)NC)c3)c2)c1O ZINC000813791007 891980146 /nfs/dbraw/zinc/98/01/46/891980146.db2.gz NPRDMCKYHVATQX-UHFFFAOYSA-N 0 0 393.443 3.950 20 10 GHCDRN CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H](C)c1ccccc1O ZINC000874192234 892028839 /nfs/dbraw/zinc/02/88/39/892028839.db2.gz HKTOHKVEVANCNO-NSHDSACASA-N 0 0 396.365 3.626 20 10 GHCDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2O)c(Cl)c1 ZINC000874192094 892028951 /nfs/dbraw/zinc/02/89/51/892028951.db2.gz NTHFPIKGCBNCSE-GFCCVEGCSA-N 0 0 376.840 3.649 20 10 GHCDRN CCC(CC)C(=O)N1CCN(C(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC000917512951 892114833 /nfs/dbraw/zinc/11/48/33/892114833.db2.gz ZQEQYTAJYZSMQP-UHFFFAOYSA-N 0 0 387.549 3.876 20 10 GHCDRN Cc1ccc(/C=C/S(=O)(=O)NCc2cc(Br)ccc2O)cc1 ZINC000796191261 913631855 /nfs/dbraw/zinc/63/18/55/913631855.db2.gz SWOHDRGQWWFCAO-CMDGGOBGSA-N 0 0 382.279 3.553 20 10 GHCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)c2cccc3c2O[C@H](C)C3)cc1 ZINC001185093640 913633258 /nfs/dbraw/zinc/63/32/58/913633258.db2.gz LGBCNWAOLWPIQR-MRXNPFEDSA-N 0 0 388.533 3.677 20 10 GHCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ccc(OC3CC3)cc2)cc1 ZINC001185095169 913634528 /nfs/dbraw/zinc/63/45/28/913634528.db2.gz YWKHTBNTNQXLFS-UHFFFAOYSA-N 0 0 388.533 3.895 20 10 GHCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000763420740 892197515 /nfs/dbraw/zinc/19/75/15/892197515.db2.gz LDOGULZBNVQTBX-LBPRGKRZSA-N 0 0 384.701 3.749 20 10 GHCDRN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000814172554 892323038 /nfs/dbraw/zinc/32/30/38/892323038.db2.gz SEAQLAKMOROREQ-STQMWFEESA-N 0 0 376.831 3.622 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCOC[C@@H](C4CCC4)C3)c2C)cc1 ZINC000814167645 892361697 /nfs/dbraw/zinc/36/16/97/892361697.db2.gz YSZAIBOIBKGZJJ-IBGZPJMESA-N 0 0 382.504 3.991 20 10 GHCDRN O=C1/C(=C\c2cc3c(cc2Br)OCO3)SC(=S)N1C1CCC1 ZINC000814185509 892381175 /nfs/dbraw/zinc/38/11/75/892381175.db2.gz IUWFCDDSXZYAMC-WLRTZDKTSA-N 0 0 398.303 3.932 20 10 GHCDRN Cc1ccc(CCC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cc1 ZINC000917715197 892417256 /nfs/dbraw/zinc/41/72/56/892417256.db2.gz ZIIVTNMZABXQBF-HDICACEKSA-N 0 0 384.495 3.997 20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)Cc3ccccc3Cl)cc2F)C[C@H](C)O1 ZINC000917708096 892437936 /nfs/dbraw/zinc/43/79/36/892437936.db2.gz BSVLRDPHHHBUFZ-GJZGRUSLSA-N 0 0 390.886 3.952 20 10 GHCDRN Cc1ccc(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1C ZINC000917712248 892444253 /nfs/dbraw/zinc/44/42/53/892444253.db2.gz WCICUMPFNUQJST-QZTJIDSGSA-N 0 0 384.495 3.915 20 10 GHCDRN C[C@H](NC(=O)c1cc2ccccc2cc1N)c1ccc(N2CCOCC2)cc1 ZINC000237475524 892467713 /nfs/dbraw/zinc/46/77/13/892467713.db2.gz IBGLJGMSRAIXEE-INIZCTEOSA-N 0 0 375.472 3.750 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000814359156 892594379 /nfs/dbraw/zinc/59/43/79/892594379.db2.gz ZHJYNTJAFYRXCK-UHFFFAOYSA-N 0 0 378.432 3.616 20 10 GHCDRN NC(=O)[C@H]1CCCN(c2ccc(CNc3c(Cl)cccc3[N+](=O)[O-])cc2)C1 ZINC000814361655 892599119 /nfs/dbraw/zinc/59/91/19/892599119.db2.gz ZOSYDYIBFGUHFM-AWEZNQCLSA-N 0 0 388.855 3.562 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)[C@@H](C)Oc3ccc4c(c3)CCC4)CC2)cc1 ZINC000917822340 892615195 /nfs/dbraw/zinc/61/51/95/892615195.db2.gz XGETVLRYRUFICR-GOSISDBHSA-N 0 0 394.515 3.690 20 10 GHCDRN COc1ccc(OC(F)(F)F)c(C(=O)NCCCSc2nccs2)c1 ZINC000825823093 892839172 /nfs/dbraw/zinc/83/91/72/892839172.db2.gz RAARHVVUCHPDLN-UHFFFAOYSA-N 0 0 392.424 3.963 20 10 GHCDRN O=C(NCCCSc1nccs1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000154585420 892857881 /nfs/dbraw/zinc/85/78/81/892857881.db2.gz AXPKSHYYVZWYAS-UHFFFAOYSA-N 0 0 375.519 3.830 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NCC(C)(C)c3ccccc3)CC2)cc1 ZINC000918008454 892950285 /nfs/dbraw/zinc/95/02/85/892950285.db2.gz NDCNSRXUZJMCKR-UHFFFAOYSA-N 0 0 381.520 3.895 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(F)c(SC)c(F)c1 ZINC000125763526 892975767 /nfs/dbraw/zinc/97/57/67/892975767.db2.gz YKTVVFKINODANJ-UHFFFAOYSA-N 0 0 394.443 3.770 20 10 GHCDRN COc1ccc([C@@H]2CCN(C(=O)NCCCSc3nccs3)C2)cc1 ZINC000154601542 892978580 /nfs/dbraw/zinc/97/85/80/892978580.db2.gz IPNREUWLZJCLID-OAHLLOKOSA-N 0 0 377.535 3.833 20 10 GHCDRN CN(Cc1ccc(Br)o1)C(=O)NCCCSc1nccs1 ZINC000154613897 892997717 /nfs/dbraw/zinc/99/77/17/892997717.db2.gz XVOPHNSPOIDOLK-UHFFFAOYSA-N 0 0 390.328 3.822 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N3CCC[C@H]([C@H]4CCOC4)C3)cc2)CC1 ZINC000747964125 893018191 /nfs/dbraw/zinc/01/81/91/893018191.db2.gz OLNRPAGDFIZAPY-SFTDATJTSA-N 0 0 385.552 3.881 20 10 GHCDRN COc1ccc(CN(C)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cn1 ZINC000747964089 893018343 /nfs/dbraw/zinc/01/83/43/893018343.db2.gz NUJKLLNUFHLKOQ-UHFFFAOYSA-N 0 0 382.508 3.668 20 10 GHCDRN C[C@H](NC(=O)N(C)Cc1ccccc1O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000876230537 893030928 /nfs/dbraw/zinc/03/09/28/893030928.db2.gz DTOGVHOMXKAGFO-HNNXBMFYSA-N 0 0 391.512 3.569 20 10 GHCDRN Cc1cc(C(=O)NC[C@@H](CO)Cc2ccco2)c(C)n1-c1ccc(Cl)cc1 ZINC000918069320 893056940 /nfs/dbraw/zinc/05/69/40/893056940.db2.gz MHNRWMDVIUVZIL-INIZCTEOSA-N 0 0 386.879 3.922 20 10 GHCDRN CCCN(CCO)C(=O)c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000918069155 893057426 /nfs/dbraw/zinc/05/74/26/893057426.db2.gz OPUYUQHSMWJZCO-UHFFFAOYSA-N 0 0 379.298 3.701 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](c1ncccc1C)C(C)(C)C ZINC000933797120 893227248 /nfs/dbraw/zinc/22/72/48/893227248.db2.gz QRTKPYIVLCGKKZ-HXUWFJFHSA-N 0 0 397.519 3.738 20 10 GHCDRN O=C(Cc1ccoc1)Nc1c(-c2ccccn2)nc2ccc(Br)cn21 ZINC001134750811 893267920 /nfs/dbraw/zinc/26/79/20/893267920.db2.gz LHFWPQXMTFGSLJ-UHFFFAOYSA-N 0 0 397.232 3.933 20 10 GHCDRN CS(=O)(=O)c1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000918154030 893279974 /nfs/dbraw/zinc/27/99/74/893279974.db2.gz AHWKBJZAYJOAOR-GDNBJRDFSA-N 0 0 393.486 3.635 20 10 GHCDRN COc1cc([N+](=O)[O-])c(N2CC[C@H](Oc3ccc(Cl)cc3)C2)cc1OC ZINC000814933981 893282108 /nfs/dbraw/zinc/28/21/08/893282108.db2.gz HFGFTOLOECUEFE-AWEZNQCLSA-N 0 0 378.812 3.923 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCCC[C@H]3C)cc2F)C[C@@H](C)O1 ZINC000918155051 893282295 /nfs/dbraw/zinc/28/22/95/893282295.db2.gz MGPLOKGCYWSCMA-YKTARERQSA-N 0 0 377.504 3.817 20 10 GHCDRN CS(=O)(=O)c1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000918198913 893346200 /nfs/dbraw/zinc/34/62/00/893346200.db2.gz KFGBDHSTWWIWML-PTNGSMBKSA-N 0 0 381.544 3.624 20 10 GHCDRN O=C1CCCCN1c1cccc(NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000876822714 893349209 /nfs/dbraw/zinc/34/92/09/893349209.db2.gz IJUWLEAWAGRYFC-UHFFFAOYSA-N 0 0 379.504 3.777 20 10 GHCDRN Cc1ccccc1[C@@H]1C[C@H]1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000126193335 893354044 /nfs/dbraw/zinc/35/40/44/893354044.db2.gz HLFOSJYBIZEBMC-BULFRSBZSA-N 0 0 379.504 3.748 20 10 GHCDRN COc1ccc(OC(F)F)c(NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000876842391 893356733 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C[C@H](CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCCO1 ZINC000825429307 900139384 /nfs/dbraw/zinc/13/93/84/900139384.db2.gz JKENAISZYXQVDY-RDTXWAMCSA-N 0 0 382.451 3.578 20 10 GHCDRN O=C(Cc1ccncc1Cl)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000825429970 900139423 /nfs/dbraw/zinc/13/94/23/900139423.db2.gz SAJKCWFSGFUCPA-UHFFFAOYSA-N 0 0 395.837 3.664 20 10 GHCDRN CC(C)(C)O[C@@H]1C[C@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000825429332 900139500 /nfs/dbraw/zinc/13/95/00/900139500.db2.gz KMUVRRNAZTVLML-IAGOWNOFSA-N 0 0 382.451 3.577 20 10 GHCDRN C[C@H]1CCn2ncc(C(=O)N(Cc3ccco3)Cc3ccc(N(C)C)cc3)c2C1 ZINC000843528305 900229100 /nfs/dbraw/zinc/22/91/00/900229100.db2.gz WNPOLWUSUIXYOC-KRWDZBQOSA-N 0 0 392.503 3.967 20 10 GHCDRN Cc1ccc([C@H](C)CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000157027224 900233876 /nfs/dbraw/zinc/23/38/76/900233876.db2.gz SRSBYOKOHHWTDE-QGZVFWFLSA-N 0 0 399.510 3.698 20 10 GHCDRN NC(=O)C1CCN(c2ccc(CNc3cc(Cl)c4ncccc4n3)cc2)CC1 ZINC000884693793 900235760 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GHCDRN CC(C)c1ccnc(CC(=O)Nc2c(N)ccc3c2C(=O)c2ccccc2C3=O)c1 ZINC001178227095 908966860 /nfs/dbraw/zinc/96/68/60/908966860.db2.gz XJKXVOXPGAYMLU-UHFFFAOYSA-N 0 0 399.450 3.744 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC2CCN(CC(F)(F)F)CC2)cc1 ZINC000195156360 908974289 /nfs/dbraw/zinc/97/42/89/908974289.db2.gz GVRNWTLQVLXUKP-UHFFFAOYSA-N 0 0 379.426 3.851 20 10 GHCDRN FC(F)Oc1ccc(N2CCC[C@@H](N[C@H](c3ncc[nH]3)c3cccnc3)C2)cc1 ZINC000195048413 908984079 /nfs/dbraw/zinc/98/40/79/908984079.db2.gz KDYVZCYBWLUSJY-APWZRJJASA-N 0 0 399.445 3.754 20 10 GHCDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000773741212 909020635 /nfs/dbraw/zinc/02/06/35/909020635.db2.gz HVWKBEOUBKAEQA-GFCCVEGCSA-N 0 0 390.461 3.869 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1 ZINC000195565129 909021378 /nfs/dbraw/zinc/02/13/78/909021378.db2.gz CKODDYBRXYXUTL-LJQANCHMSA-N 0 0 383.492 3.514 20 10 GHCDRN COc1cc(N(C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)cc(OC)c1OC ZINC000780775749 909212100 /nfs/dbraw/zinc/21/21/00/909212100.db2.gz XZZLVMHOPMCYFA-AWEZNQCLSA-N 0 0 380.485 3.548 20 10 GHCDRN CCOCCOCc1cccc(NC(=O)NCc2cccc(OC)c2O)c1C ZINC000266792842 909303802 /nfs/dbraw/zinc/30/38/02/909303802.db2.gz ZDJWXEDAPQIIGQ-UHFFFAOYSA-N 0 0 388.464 3.584 20 10 GHCDRN Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCc1c(O)cccc1O ZINC001178904919 909306630 /nfs/dbraw/zinc/30/66/30/909306630.db2.gz CTQQGXUXHUJSGL-UHFFFAOYSA-N 0 0 388.420 3.511 20 10 GHCDRN Cc1cc(C(=O)N2CCOC[C@H]2C[C@H]2CCCO2)c(C)n1-c1ccccc1C ZINC001179427266 909519858 /nfs/dbraw/zinc/51/98/58/909519858.db2.gz GKSJAAQEPMYDJY-WOJBJXKFSA-N 0 0 382.504 3.813 20 10 GHCDRN Cc1cc(C(=O)N2CCOC[C@H]2C[C@@H]2CCCO2)c(C)n1-c1ccccc1C ZINC001179427264 909520669 /nfs/dbraw/zinc/52/06/69/909520669.db2.gz GKSJAAQEPMYDJY-UXHICEINSA-N 0 0 382.504 3.813 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001179687193 909646569 /nfs/dbraw/zinc/64/65/69/909646569.db2.gz POUXMTKJBWJPED-YCOJEUHLSA-N 0 0 391.389 3.977 20 10 GHCDRN O=C(N[C@@H]1CCO[C@H]1c1ccccc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000245478957 909671428 /nfs/dbraw/zinc/67/14/28/909671428.db2.gz VYWDDMVCHBBXBE-SJBKTWHCSA-N 0 0 396.487 3.613 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)c(C)n1-c1ccccc1C ZINC001179753084 909712449 /nfs/dbraw/zinc/71/24/49/909712449.db2.gz DSONFVJQSFCHHU-QGZVFWFLSA-N 0 0 399.491 3.683 20 10 GHCDRN O=C(/C=C/c1c(F)c(F)c(F)c(F)c1F)N1CCCc2cc(O)c(O)cc2C1 ZINC001179761317 909717995 /nfs/dbraw/zinc/71/79/95/909717995.db2.gz QKOUJSFXUXLVOQ-ONEGZZNKSA-N 0 0 399.315 3.782 20 10 GHCDRN COc1cc(OC)c2c(c1)N(C(=O)c1c(C)onc1-c1cccnc1)CCC2 ZINC000637544126 909850404 /nfs/dbraw/zinc/85/04/04/909850404.db2.gz BTCKTZSKXMGJQN-UHFFFAOYSA-N 0 0 379.416 3.655 20 10 GHCDRN CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@H](OC)C1 ZINC000801832268 921532598 /nfs/dbraw/zinc/53/25/98/921532598.db2.gz IWLBWFCZFZOGKN-IBGZPJMESA-N 0 0 379.508 3.988 20 10 GHCDRN O=C(N1CCCc2cc(O)c(O)cc2C1)[C@](O)(c1ccccc1)C1CCCCC1 ZINC001180216571 910017962 /nfs/dbraw/zinc/01/79/62/910017962.db2.gz YRHRDZYWDLQNCJ-DEOSSOPVSA-N 0 0 395.499 3.841 20 10 GHCDRN C[C@H](NC(=O)C(=O)Nc1ccccc1SC(F)F)c1ccc(N(C)C)cc1 ZINC000773843886 910045379 /nfs/dbraw/zinc/04/53/79/910045379.db2.gz BCLRWAJBPDJRBJ-LBPRGKRZSA-N 0 0 393.459 3.883 20 10 GHCDRN C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c2ncccc12)c1ccc(N(C)C)cc1 ZINC000773844692 910045700 /nfs/dbraw/zinc/04/57/00/910045700.db2.gz DXUWKTYQQDNLFY-ZDUSSCGKSA-N 0 0 396.878 3.770 20 10 GHCDRN Cc1cnc(-c2cccc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)c2)o1 ZINC000773847997 910059425 /nfs/dbraw/zinc/05/94/25/910059425.db2.gz QVAWEJOBXDUFID-OAHLLOKOSA-N 0 0 392.459 3.532 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCN1C(=O)Oc1ccccc1 ZINC001180334849 910103286 /nfs/dbraw/zinc/10/32/86/910103286.db2.gz DTZZUJMPIPBDHN-OAQYLSRUSA-N 0 0 395.503 3.765 20 10 GHCDRN C[C@@H](NC(=O)C(=O)Nc1cccc(CC(F)(F)F)c1)c1ccc(N(C)C)cc1 ZINC000773856816 910141140 /nfs/dbraw/zinc/14/11/40/910141140.db2.gz LQBZNYWGKXUYQQ-CYBMUJFWSA-N 0 0 393.409 3.673 20 10 GHCDRN COc1cc(N(C)Cc2nccc(C)c2Br)cc(OC)c1OC ZINC001180753000 910329727 /nfs/dbraw/zinc/32/97/27/910329727.db2.gz XASLOBJVPRYNCQ-UHFFFAOYSA-N 0 0 381.270 3.815 20 10 GHCDRN O=C(CCc1ccc(Oc2ccccc2)cc1)NCCc1cc(O)c(O)cc1O ZINC001180930145 910432161 /nfs/dbraw/zinc/43/21/61/910432161.db2.gz GPBXKACQYHRJES-UHFFFAOYSA-N 0 0 393.439 3.887 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 ZINC000801884594 921579451 /nfs/dbraw/zinc/57/94/51/921579451.db2.gz LJTSXNWZRAJHNP-UHFFFAOYSA-N 0 0 381.354 3.947 20 10 GHCDRN O=C(c1cccc([C@@H]2CCOC2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000270791138 910701968 /nfs/dbraw/zinc/70/19/68/910701968.db2.gz DUYLSKUQEICUAM-RTWAWAEBSA-N 0 0 381.472 3.718 20 10 GHCDRN COC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)cc(Br)c1[O-])CC2 ZINC001204299646 910838655 /nfs/dbraw/zinc/83/86/55/910838655.db2.gz ZJDVYXDJAKBCGO-LBPRGKRZSA-N 0 0 388.689 3.583 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1c(F)cc(Cl)cc1F ZINC000271684651 911013560 /nfs/dbraw/zinc/01/35/60/911013560.db2.gz 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O=C([C@@H]1C[C@H]1c1cc(F)ccc1F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000247511675 911330209 /nfs/dbraw/zinc/33/02/09/911330209.db2.gz YSAOVAKMOWPSDB-ZIFCJYIRSA-N 0 0 387.426 3.982 20 10 GHCDRN Cc1cc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000247814603 911448012 /nfs/dbraw/zinc/44/80/12/911448012.db2.gz CAWPCDNDNLHNKN-UHFFFAOYSA-N 0 0 385.483 3.564 20 10 GHCDRN Cc1cc(C(=O)N(C)c2ccn(C)n2)c(C)n1-c1cccc(Br)c1 ZINC000774158342 911457807 /nfs/dbraw/zinc/45/78/07/911457807.db2.gz TVQZWQBELWJDOB-UHFFFAOYSA-N 0 0 387.281 3.867 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000283374351 911485427 /nfs/dbraw/zinc/48/54/27/911485427.db2.gz CTROCJYZQJVSNR-FXAWDEMLSA-N 0 0 378.538 3.759 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774182839 911502319 /nfs/dbraw/zinc/50/23/19/911502319.db2.gz KAKOGQMMXKGNKX-NWDGAFQWSA-N 0 0 394.302 3.727 20 10 GHCDRN CC(=O)Nc1ccc(NC(=O)CSc2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC000247941831 911514286 /nfs/dbraw/zinc/51/42/86/911514286.db2.gz NLLLOQUKBNYTJA-UHFFFAOYSA-N 0 0 376.388 3.530 20 10 GHCDRN C[C@@H](c1ccc(F)c(F)c1)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000248124933 911724682 /nfs/dbraw/zinc/72/46/82/911724682.db2.gz OFOHUTZDMSIPHL-HNNXBMFYSA-N 0 0 375.463 3.682 20 10 GHCDRN CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)C3CCC(O)CC3)c2C)cc1 ZINC000795650694 911795541 /nfs/dbraw/zinc/79/55/41/911795541.db2.gz PTAQZXNLBDNVKS-UHFFFAOYSA-N 0 0 399.487 3.770 20 10 GHCDRN COc1cnc2ccccc2c1C(=O)NCc1cccc(Br)c1O ZINC000801965836 921697648 /nfs/dbraw/zinc/69/76/48/921697648.db2.gz YXSBBIXRQPMEOW-UHFFFAOYSA-N 0 0 387.233 3.642 20 10 GHCDRN CCOC(=O)[C@H](NCc1ccc(N2CCC(O)CC2)cc1)C1CCCCCC1 ZINC001182624819 911906170 /nfs/dbraw/zinc/90/61/70/911906170.db2.gz GWABPKBLSYTBAN-JOCHJYFZSA-N 0 0 388.552 3.639 20 10 GHCDRN CC[C@@H](C(=O)OC(C)(C)C)N(C)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001182665549 911933662 /nfs/dbraw/zinc/93/36/62/911933662.db2.gz HDHFUZSFOPCAPT-INIZCTEOSA-N 0 0 392.471 3.656 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN1C(=O)c1ccc(F)cc1 ZINC001182681972 911947878 /nfs/dbraw/zinc/94/78/78/911947878.db2.gz ISZBOCYSWBIODP-NRFANRHFSA-N 0 0 397.494 3.545 20 10 GHCDRN C[C@@H]1SCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H]1c1ccccc1 ZINC000303689261 915064415 /nfs/dbraw/zinc/06/44/15/915064415.db2.gz LMABUCMOBKXMEN-MBSDFSHPSA-N 0 0 397.588 3.890 20 10 GHCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cc(C(C)(C)C)ccc2OC)c1 ZINC001187325493 915172866 /nfs/dbraw/zinc/17/28/66/915172866.db2.gz OVPXJEGKCGAFFO-ZDUSSCGKSA-N 0 0 393.505 3.746 20 10 GHCDRN Cc1cccc(-c2nnc(N(C)Cc3ccccc3O)n2C[C@@H]2CCCCO2)n1 ZINC000291717902 915331230 /nfs/dbraw/zinc/33/12/30/915331230.db2.gz DOPKPUCBIKJDCR-SFHVURJKSA-N 0 0 393.491 3.560 20 10 GHCDRN CC(=O)N[C@H](CC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccccc1 ZINC000098076249 916169354 /nfs/dbraw/zinc/16/93/54/916169354.db2.gz QXXKLBGCRUXMQS-OAQYLSRUSA-N 0 0 392.455 3.782 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000775199463 916211366 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CC[C@@H](C)c1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CC(C)C ZINC000802663662 1021519413 /nfs/dbraw/zinc/51/94/13/1021519413.db2.gz OTDGCBYCVLHMAR-GOSISDBHSA-N 0 0 385.556 3.921 20 10 GHCDRN Cc1cc(CC(=O)N(C)[C@@H](CC(N)=O)c2ccccc2)c(C)n1-c1ccccc1 ZINC000834852501 1021553222 /nfs/dbraw/zinc/55/32/22/1021553222.db2.gz PUJWDKLWEPUTTP-QFIPXVFZSA-N 0 0 389.499 3.712 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(CN2CCCCC2=O)cc1 ZINC000748724655 1021713573 /nfs/dbraw/zinc/71/35/73/1021713573.db2.gz JLHCKFLYNSRMQR-UHFFFAOYSA-N 0 0 393.531 3.927 20 10 GHCDRN CC(=O)N[C@H]1Cc2ccccc2N(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000749067806 1021744230 /nfs/dbraw/zinc/74/42/30/1021744230.db2.gz MRHHXDBPQKCTJF-NRFANRHFSA-N 0 0 387.483 3.802 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(c2ccc(CN3C[C@@H](F)C[C@H]3CF)cc2)CC1 ZINC001140476452 1021772265 /nfs/dbraw/zinc/77/22/65/1021772265.db2.gz OHODOCHKTQXYSF-HKUYNNGSSA-N 0 0 395.494 3.626 20 10 GHCDRN COc1ccccc1[C@H](NC/C=C/c1ccc(N(C)C)cc1)c1nccn1C ZINC000835037700 1021794045 /nfs/dbraw/zinc/79/40/45/1021794045.db2.gz VUQHVCCBIHZACV-DORXLWPQSA-N 0 0 376.504 3.887 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000826979634 1021878308 /nfs/dbraw/zinc/87/83/08/1021878308.db2.gz PYMWIRCICKZBIC-NQSCKRDGSA-N 0 0 396.535 3.607 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCc2ccccc2O1 ZINC001137349232 1021922222 /nfs/dbraw/zinc/92/22/22/1021922222.db2.gz LBOLSCZDFWHZKF-GOSISDBHSA-N 0 0 390.277 3.897 20 10 GHCDRN C[C@@H](NC(=O)C(=O)Nc1ccccc1C(C)(F)F)c1ccc(N(C)C)cc1 ZINC000835235237 1021977549 /nfs/dbraw/zinc/97/75/49/1021977549.db2.gz OEAOKRVSLFDONJ-CYBMUJFWSA-N 0 0 375.419 3.680 20 10 GHCDRN CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+](Cc3c([O-])cc(F)cc3F)C1)C2 ZINC001140584619 1022008059 /nfs/dbraw/zinc/00/80/59/1022008059.db2.gz ZIOITXKLBOSMIC-IVZQSRNASA-N 0 0 387.426 3.766 20 10 GHCDRN Cc1nc(COC[C@H]2Cn3nccc3C[N@H+](Cc3cc(C)ccc3O)C2)cs1 ZINC001140620419 1022091100 /nfs/dbraw/zinc/09/11/00/1022091100.db2.gz NOJIUKUYXKFLCD-QGZVFWFLSA-N 0 0 398.532 3.511 20 10 GHCDRN Cc1ccc(O)c(CN2Cc3ncn(CC4CC4)c3[C@H](COCC3CC3)C2)c1 ZINC001140621458 1022094816 /nfs/dbraw/zinc/09/48/16/1022094816.db2.gz KOUIJFVEJXWWCL-FQEVSTJZSA-N 0 0 381.520 3.833 20 10 GHCDRN C[C@H](NC(=O)N[C@@H]1CCCOc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000726245073 1022408774 /nfs/dbraw/zinc/40/87/74/1022408774.db2.gz GKJNOUGMBUPRSL-LAUBAEHRSA-N 0 0 395.503 3.797 20 10 GHCDRN CC(C)(C)OC1CC(CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000754224796 1022545169 /nfs/dbraw/zinc/54/51/69/1022545169.db2.gz QHMYOHBSEFOYEH-AVAKVYKDSA-N 0 0 375.509 3.884 20 10 GHCDRN Cc1cc(C(=O)N2CCOC[C@H](C)C2)c(C)n1-c1ccccc1Br ZINC000754241574 1022555162 /nfs/dbraw/zinc/55/51/62/1022555162.db2.gz SJOGTKQBJVONQB-CYBMUJFWSA-N 0 0 391.309 3.965 20 10 GHCDRN CN1CCCc2cc(CNC(=O)N[C@@H]3CCO[C@@H](c4ccc(F)cc4)C3)ccc21 ZINC000754293127 1022590007 /nfs/dbraw/zinc/59/00/07/1022590007.db2.gz OUZONZFYEHZLBK-IFMALSPDSA-N 0 0 397.494 3.928 20 10 GHCDRN COc1ccc(CN2CCN(c3ccc(OC)cc3OC)CC2)c(Cl)c1 ZINC001140823073 1022631833 /nfs/dbraw/zinc/63/18/33/1022631833.db2.gz SASBKLCVOTZKBU-UHFFFAOYSA-N 0 0 376.884 3.688 20 10 GHCDRN CCN(CC)c1ccc(CN2CCN(c3ccccc3Cl)C(=O)C2)c(O)c1 ZINC001140856985 1022714066 /nfs/dbraw/zinc/71/40/66/1022714066.db2.gz KLKYZPKPHVBRMB-UHFFFAOYSA-N 0 0 387.911 3.741 20 10 GHCDRN Cc1csc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000836241419 1022760036 /nfs/dbraw/zinc/76/00/36/1022760036.db2.gz NDHQGRIJMFBLNU-GJZGRUSLSA-N 0 0 391.512 3.809 20 10 GHCDRN Cc1cnc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)o1 ZINC000754616883 1022797468 /nfs/dbraw/zinc/79/74/68/1022797468.db2.gz YERFDHRDQAKZQE-WQLSENKSSA-N 0 0 393.515 3.665 20 10 GHCDRN CN(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)Cc1nnc2n1CCC2 ZINC000754666656 1022819025 /nfs/dbraw/zinc/81/90/25/1022819025.db2.gz UFDQSWOFOZUOFX-UHFFFAOYSA-N 0 0 389.463 3.710 20 10 GHCDRN CN(C)c1ccc(CN2CCO[C@@H](CCNC(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001140921300 1022886359 /nfs/dbraw/zinc/88/63/59/1022886359.db2.gz AYSXPMPPPCIWGF-KRWDZBQOSA-N 0 0 397.947 3.522 20 10 GHCDRN Cc1ccc(CN2CCn3c(COCc4cncc(C)c4)cnc3[C@H]2C)c(O)c1 ZINC001140950535 1022973807 /nfs/dbraw/zinc/97/38/07/1022973807.db2.gz XPRXKQRQYNMTJX-GOSISDBHSA-N 0 0 392.503 3.894 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CC34CCOCC4)cc2Cl)C1 ZINC000836445669 1022978289 /nfs/dbraw/zinc/97/82/89/1022978289.db2.gz YJNYWDLUVDGQHR-BEFAXECRSA-N 0 0 391.943 3.945 20 10 GHCDRN CCc1noc(C)c1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000755044017 1023040940 /nfs/dbraw/zinc/04/09/40/1023040940.db2.gz YQPKJRYTAJMAPH-CHWSQXEVSA-N 0 0 390.459 3.620 20 10 GHCDRN CN(C)c1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000755071487 1023061407 /nfs/dbraw/zinc/06/14/07/1023061407.db2.gz SPQVXBMMZZYEAR-UHFFFAOYSA-N 0 0 387.549 3.564 20 10 GHCDRN CC[C@@H]1CCCC[C@H]1CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000836551698 1023105670 /nfs/dbraw/zinc/10/56/70/1023105670.db2.gz VXXHVIVYVVJHNG-MSOLQXFVSA-N 0 0 391.531 3.802 20 10 GHCDRN CC(C)C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)N1CCCCC1=O ZINC000755167107 1023105851 /nfs/dbraw/zinc/10/58/51/1023105851.db2.gz BFTDUSUFUYHIJO-NRFANRHFSA-N 0 0 385.552 3.671 20 10 GHCDRN Cc1nccc(NCc2cccc(C(=O)NCc3ccc(N(C)C)c(F)c3)c2)n1 ZINC000755195784 1023119469 /nfs/dbraw/zinc/11/94/69/1023119469.db2.gz NGZIDWIYSSSMCR-UHFFFAOYSA-N 0 0 393.466 3.532 20 10 GHCDRN CCCCC[C@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(C)C ZINC000755213173 1023130719 /nfs/dbraw/zinc/13/07/19/1023130719.db2.gz SHQWXAUMQZWJRT-CTNGQTDRSA-N 0 0 387.568 3.857 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1C[C@H]1c1cccnc1 ZINC000836577404 1023134853 /nfs/dbraw/zinc/13/48/53/1023134853.db2.gz GYAWMSYEIBVKIW-RBUKOAKNSA-N 0 0 387.430 3.572 20 10 GHCDRN CC(C)C[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N1CCCCC1=O ZINC000755248783 1023154160 /nfs/dbraw/zinc/15/41/60/1023154160.db2.gz OWELZAJUIFBIGB-NRFANRHFSA-N 0 0 385.552 3.720 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc2c(c1)CN(CC(F)F)C2 ZINC000836625873 1023186931 /nfs/dbraw/zinc/18/69/31/1023186931.db2.gz WJMPQZJVTZCXJE-UHFFFAOYSA-N 0 0 388.462 3.963 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)cc1F ZINC000836639161 1023201130 /nfs/dbraw/zinc/20/11/30/1023201130.db2.gz XLWFOMJFXOMPOG-RHSMWYFYSA-N 0 0 377.485 3.673 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc(OC(F)F)cn1 ZINC000836656612 1023215433 /nfs/dbraw/zinc/21/54/33/1023215433.db2.gz VDAIWCZHGBELSM-UHFFFAOYSA-N 0 0 394.447 3.558 20 10 GHCDRN CC(=O)N(c1ccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)cc1)[C@@H]1C[C@@H]1C ZINC000836703781 1023277929 /nfs/dbraw/zinc/27/79/29/1023277929.db2.gz JTFKHYPMRZUKAT-LHSJRXKWSA-N 0 0 398.482 3.975 20 10 GHCDRN Cc1nc(NC(=O)NCCCSc2nccs2)ccc1-c1cnn(C)c1 ZINC000836704970 1023278876 /nfs/dbraw/zinc/27/88/76/1023278876.db2.gz KFBVQUZVDIUGOJ-UHFFFAOYSA-N 0 0 388.522 3.551 20 10 GHCDRN O=C(CSc1nc(-c2ccccc2)no1)NCc1c(O)ccc2c1CCCC2 ZINC000755528769 1023284010 /nfs/dbraw/zinc/28/40/10/1023284010.db2.gz HEZNREDYEGLOHW-UHFFFAOYSA-N 0 0 395.484 3.730 20 10 GHCDRN O=C(Nc1ccc2c(c1)CCC2=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000836714739 1023293738 /nfs/dbraw/zinc/29/37/38/1023293738.db2.gz WXFUREFLCOLNMG-SFHVURJKSA-N 0 0 380.444 3.734 20 10 GHCDRN O=C(Nc1ccc2c(c1)CCC2=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000836714737 1023293825 /nfs/dbraw/zinc/29/38/25/1023293825.db2.gz WXFUREFLCOLNMG-GOSISDBHSA-N 0 0 380.444 3.734 20 10 GHCDRN O=C(NCc1ccc(F)nc1Br)c1cc2cc(O)c(O)cc2s1 ZINC001156591777 1033121062 /nfs/dbraw/zinc/12/10/62/1033121062.db2.gz YYPBGZPLTUOFFN-UHFFFAOYSA-N 0 0 397.225 3.539 20 10 GHCDRN COc1c(F)cc(NC(=O)NCc2ccc3c(c2)CCCN3C)c(OC)c1F ZINC000836737833 1023326449 /nfs/dbraw/zinc/32/64/49/1023326449.db2.gz ZRZDWZIRHYOLID-UHFFFAOYSA-N 0 0 391.418 3.686 20 10 GHCDRN C[C@@H](NC(=O)Nc1ccc2cnccc2c1)c1ccc(N2CCOCC2)cc1 ZINC000836779350 1023361010 /nfs/dbraw/zinc/36/10/10/1023361010.db2.gz ZTACSCYLSUGUSG-MRXNPFEDSA-N 0 0 376.460 3.954 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1cnn(-c2ccccc2F)c1 ZINC000755838325 1023398596 /nfs/dbraw/zinc/39/85/96/1023398596.db2.gz RPOWAGFHKNPBHV-UHFFFAOYSA-N 0 0 380.423 3.918 20 10 GHCDRN FC(F)(F)c1cn2c(n1)CN(Cc1cc3c4c(c1)CCCN4CCC3)CC2 ZINC001141075796 1023438168 /nfs/dbraw/zinc/43/81/68/1023438168.db2.gz ARWAVWWADVBKGX-UHFFFAOYSA-N 0 0 376.426 3.617 20 10 GHCDRN C[C@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)Cc2nnc(C(F)(F)F)n21 ZINC001141077857 1023443122 /nfs/dbraw/zinc/44/31/22/1023443122.db2.gz CMVQUHBBNKGQQT-ZDUSSCGKSA-N 0 0 391.441 3.573 20 10 GHCDRN COC(=O)c1cc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)ccc1F ZINC000755985180 1023466277 /nfs/dbraw/zinc/46/62/77/1023466277.db2.gz MQMQHIPMXJWNMY-UHFFFAOYSA-N 0 0 381.425 3.551 20 10 GHCDRN COC(=O)c1cc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)ccc1C ZINC000755984988 1023466659 /nfs/dbraw/zinc/46/66/59/1023466659.db2.gz LRADWKXYGIRLER-UHFFFAOYSA-N 0 0 377.462 3.720 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccc(C)cc1OCCOC ZINC000756104768 1023523628 /nfs/dbraw/zinc/52/36/28/1023523628.db2.gz ATUWNWMTGTWBKA-UHFFFAOYSA-N 0 0 386.492 3.848 20 10 GHCDRN Cc1ccc([C@@H](CN2CCOCC2)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756360445 1023605442 /nfs/dbraw/zinc/60/54/42/1023605442.db2.gz UHMWHTBIMFRKPZ-MGPUTAFESA-N 0 0 376.447 3.703 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1 ZINC000756361188 1023606772 /nfs/dbraw/zinc/60/67/72/1023606772.db2.gz IVGFCODMHWVFFY-LHSJRXKWSA-N 0 0 385.460 3.998 20 10 GHCDRN COc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])cc1 ZINC000756383015 1023621977 /nfs/dbraw/zinc/62/19/77/1023621977.db2.gz VGOJJFSAIDSAGA-DYZYQPBXSA-N 0 0 384.245 3.687 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)c1 ZINC000756428298 1023644298 /nfs/dbraw/zinc/64/42/98/1023644298.db2.gz CQQYVJSJWBDJQC-HNNXBMFYSA-N 0 0 386.517 3.583 20 10 GHCDRN C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccncc2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756443091 1023652920 /nfs/dbraw/zinc/65/29/20/1023652920.db2.gz SATSZWBBRQENQC-CQSZACIVSA-N 0 0 392.415 3.799 20 10 GHCDRN C[C@H]([NH2+]CCc1cc(Cl)c2c(c1)OCCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756468784 1023669789 /nfs/dbraw/zinc/66/97/89/1023669789.db2.gz GEXLNOCDFKEQHY-NSHDSACASA-N 0 0 378.812 3.618 20 10 GHCDRN C[C@@H]([NH2+]CCn1cnc2ccccc21)c1cc(Br)cc(F)c1[O-] ZINC000756483735 1023680064 /nfs/dbraw/zinc/68/00/64/1023680064.db2.gz XDEKCMKMPWTMNB-LLVKDONJSA-N 0 0 378.245 3.994 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(OC)c(Br)c2)c1 ZINC000756523752 1023697240 /nfs/dbraw/zinc/69/72/40/1023697240.db2.gz FANUSLMHRAWNLT-LLVKDONJSA-N 0 0 394.265 3.801 20 10 GHCDRN CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000756575825 1023718579 /nfs/dbraw/zinc/71/85/79/1023718579.db2.gz QQFSLEAEGKVCNJ-IGJMFERPSA-N 0 0 395.135 3.975 20 10 GHCDRN C[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756585908 1023723133 /nfs/dbraw/zinc/72/31/33/1023723133.db2.gz NFORZBQNDBTFIX-VIFPVBQESA-N 0 0 375.694 3.504 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756599147 1023729369 /nfs/dbraw/zinc/72/93/69/1023729369.db2.gz XNWGVZRJKDRJDD-LRDDRELGSA-N 0 0 389.839 3.800 20 10 GHCDRN COC1(C[NH2+][C@H](C)c2cc(Br)cc(Cl)c2[O-])CCOCC1 ZINC000756759751 1023803597 /nfs/dbraw/zinc/80/35/97/1023803597.db2.gz LBUXRXDXSCFIEX-SNVBAGLBSA-N 0 0 378.694 3.654 20 10 GHCDRN C[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1cc(Br)cc(Cl)c1[O-] ZINC000756774982 1023808020 /nfs/dbraw/zinc/80/80/20/1023808020.db2.gz FSSZWMDGSSELRH-POYBYMJQSA-N 0 0 376.600 3.772 20 10 GHCDRN C[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1cc(Br)c(F)cc1[O-] ZINC000756776371 1023810379 /nfs/dbraw/zinc/81/03/79/1023810379.db2.gz YUHRWBIQJLOVRV-ZWNOBZJWSA-N 0 0 386.236 3.687 20 10 GHCDRN C[C@H](Nc1cccc(N2CCNC2=O)c1)c1cc(Br)ccc1O ZINC000756818309 1023825230 /nfs/dbraw/zinc/82/52/30/1023825230.db2.gz FGHMEWJIQHJXFH-NSHDSACASA-N 0 0 376.254 3.857 20 10 GHCDRN CCCC[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCC1 ZINC000756924696 1023868403 /nfs/dbraw/zinc/86/84/03/1023868403.db2.gz MJFXWSJAZMRDCR-IBGZPJMESA-N 0 0 377.504 3.820 20 10 GHCDRN CC(C)Cc1c[nH]c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC001626159140 1023932257 /nfs/dbraw/zinc/93/22/57/1023932257.db2.gz RVZKANKOXYBLLL-IYBDPMFKSA-N 0 0 387.499 3.896 20 10 GHCDRN CC1([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(Br)c3[O-])C2)OCCO1 ZINC001204937156 1033176119 /nfs/dbraw/zinc/17/61/19/1033176119.db2.gz HIJIFSPOYDLVDB-GFCCVEGCSA-N 0 0 390.705 3.783 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000837034552 1023968484 /nfs/dbraw/zinc/96/84/84/1023968484.db2.gz DQCGHTKVPBMINA-YJBOKZPZSA-N 0 0 380.410 3.788 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1N ZINC000830664973 1024054630 /nfs/dbraw/zinc/05/46/30/1024054630.db2.gz OHGXHSFRBKQAAT-OAHLLOKOSA-N 0 0 375.419 3.577 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1N ZINC000830664970 1024054851 /nfs/dbraw/zinc/05/48/51/1024054851.db2.gz OHGXHSFRBKQAAT-HNNXBMFYSA-N 0 0 375.419 3.577 20 10 GHCDRN Cc1cccc(COCc2cnc3n2CCN(Cc2cccc(F)c2O)[C@H]3C)n1 ZINC001138125726 1024169186 /nfs/dbraw/zinc/16/91/86/1024169186.db2.gz WJLVVNOTACLXNV-INIZCTEOSA-N 0 0 396.466 3.725 20 10 GHCDRN Oc1c(F)cccc1CN1Cc2c(cnn2CC2CC2)[C@H](COCC2CC2)C1 ZINC001138126875 1024171276 /nfs/dbraw/zinc/17/12/76/1024171276.db2.gz KVEMBKQEFINMHP-SFHVURJKSA-N 0 0 385.483 3.664 20 10 GHCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(F)c1)C2 ZINC001138127304 1024173423 /nfs/dbraw/zinc/17/34/23/1024173423.db2.gz WKAWHWOECXLKJO-JOCHJYFZSA-N 0 0 388.458 3.789 20 10 GHCDRN COCCC[N@H+](Cc1cccc(F)c1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001138127459 1024175736 /nfs/dbraw/zinc/17/57/36/1024175736.db2.gz COAXPSRJPZFSSJ-QGZVFWFLSA-N 0 0 396.503 3.769 20 10 GHCDRN Cc1cc(C(=O)Nc2c(C(N)=O)n[nH]c2C(C)C)c(C)n1-c1ccccc1C ZINC000837188664 1024208411 /nfs/dbraw/zinc/20/84/11/1024208411.db2.gz LERGYNKXUKCEIU-UHFFFAOYSA-N 0 0 379.464 3.600 20 10 GHCDRN O=C(CCC[C@H](O)c1ccccc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000830900580 1024228336 /nfs/dbraw/zinc/22/83/36/1024228336.db2.gz ZXYRYPRTRSTPJU-RTWAWAEBSA-N 0 0 383.488 3.804 20 10 GHCDRN COc1ccc(Oc2ccc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)nc2)cc1 ZINC001138152291 1024247619 /nfs/dbraw/zinc/24/76/19/1024247619.db2.gz DEHKVPZQQWBZRY-AWEZNQCLSA-N 0 0 394.427 3.655 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1nnc([C@@H]2CCOC2)n1CC1CC1 ZINC000830965981 1024279357 /nfs/dbraw/zinc/27/93/57/1024279357.db2.gz ZLGVQYYIEVSSER-HXUWFJFHSA-N 0 0 395.551 3.819 20 10 GHCDRN COc1ccc2c(c1)CCC(S(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1)=C2 ZINC000831141682 1024379096 /nfs/dbraw/zinc/37/90/96/1024379096.db2.gz VVOBCVXEYKQSIR-OAHLLOKOSA-N 0 0 386.517 3.729 20 10 GHCDRN Cn1nc(COCC2CC2)c2c1CCN(Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138218714 1024388724 /nfs/dbraw/zinc/38/87/24/1024388724.db2.gz RETKOTZPIKQOFS-UHFFFAOYSA-N 0 0 394.563 3.895 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@H](CO)Cc3ccc(C)cc3)c2C)cc1 ZINC001138242894 1024451421 /nfs/dbraw/zinc/45/14/21/1024451421.db2.gz FYRRLEFBJAXYLG-FQEVSTJZSA-N 0 0 392.499 3.745 20 10 GHCDRN C[C@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)C1CCC1 ZINC000837440234 1024459411 /nfs/dbraw/zinc/45/94/11/1024459411.db2.gz KMEIMNLDNMEWTC-HNAYVOBHSA-N 0 0 389.540 3.871 20 10 GHCDRN COC(=O)[C@@H]1[C@@H](c2ccccc2)OCCN1Cc1c(C)n(C)c2ccccc12 ZINC001138260413 1024490128 /nfs/dbraw/zinc/49/01/28/1024490128.db2.gz DXWBIEPMLMYEMK-FCHUYYIVSA-N 0 0 378.472 3.602 20 10 GHCDRN Cc1cc(C(=O)COC(=O)C2(C)CCOCC2)c(C)n1-c1ccc(Cl)cn1 ZINC000837495141 1024504960 /nfs/dbraw/zinc/50/49/60/1024504960.db2.gz IZDSBRTXMPONOJ-UHFFFAOYSA-N 0 0 390.867 3.685 20 10 GHCDRN C[C@H](Cc1cnn(C)c1)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000837601200 1024577635 /nfs/dbraw/zinc/57/76/35/1024577635.db2.gz BXAVGDDHPIJDQG-HZPDHXFCSA-N 0 0 388.943 3.805 20 10 GHCDRN Cc1ccc(/C=C/CC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000837707112 1024650915 /nfs/dbraw/zinc/65/09/15/1024650915.db2.gz JUFYDIRLRUYNGR-NSCUHMNNSA-N 0 0 386.442 3.830 20 10 GHCDRN CC(C)(C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccccc1F ZINC000837708935 1024653439 /nfs/dbraw/zinc/65/34/39/1024653439.db2.gz YSHZEFIYDHUUAV-UHFFFAOYSA-N 0 0 392.421 3.535 20 10 GHCDRN CSc1ccsc1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837709113 1024653789 /nfs/dbraw/zinc/65/37/89/1024653789.db2.gz IIIPGKWTGJGLAI-UHFFFAOYSA-N 0 0 384.473 3.515 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cc2cccc(F)c2o1 ZINC000837709789 1024654877 /nfs/dbraw/zinc/65/48/77/1024654877.db2.gz QVERXKQCWIGPHG-UHFFFAOYSA-N 0 0 390.361 3.617 20 10 GHCDRN C[C@@H]1CCCC[C@@]1(C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000837714208 1024658247 /nfs/dbraw/zinc/65/82/47/1024658247.db2.gz NFOHPPDLFAEESF-QVKFZJNVSA-N 0 0 377.504 3.555 20 10 GHCDRN CO[C@H]1COCC[C@@H]1CNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001141358847 1024697848 /nfs/dbraw/zinc/69/78/48/1024697848.db2.gz KBZXWPZJBCAKCI-BEFAXECRSA-N 0 0 376.884 3.529 20 10 GHCDRN CO[C@H]1COCC[C@@H]1CNC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C ZINC001141358581 1024697907 /nfs/dbraw/zinc/69/79/07/1024697907.db2.gz GDDFNKZKTBQLCK-KNQAVFIVSA-N 0 0 384.520 3.999 20 10 GHCDRN CCOC[C@H]1CN(Cc2ccc3c(c2)CCCN3C)Cc2c1cnn2CC1CC1 ZINC001138355893 1024720557 /nfs/dbraw/zinc/72/05/57/1024720557.db2.gz XORUFMAKINWXMN-OAQYLSRUSA-N 0 0 394.563 3.811 20 10 GHCDRN CN1CCCc2cc(CN3C[C@H](NC(=O)OC(C)(C)C)CC(F)(F)C3)ccc21 ZINC001138358997 1024722831 /nfs/dbraw/zinc/72/28/31/1024722831.db2.gz GTLISZJIYKBEDS-QGZVFWFLSA-N 0 0 395.494 3.803 20 10 GHCDRN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000837815966 1024732767 /nfs/dbraw/zinc/73/27/67/1024732767.db2.gz AJPJIBQZIUUNTL-SELNLUPBSA-N 0 0 393.531 3.999 20 10 GHCDRN CCN(CC)c1ccc(CN2C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C2)c(OC)c1 ZINC001138389734 1024765925 /nfs/dbraw/zinc/76/59/25/1024765925.db2.gz KXDYIFABKMMWCX-ZWKOTPCHSA-N 0 0 395.519 3.588 20 10 GHCDRN Cc1cc(N2CCN(Cc3cc(Cl)cc(Br)c3[O-])CC2)cc[nH+]1 ZINC001141374796 1024767554 /nfs/dbraw/zinc/76/75/54/1024767554.db2.gz PUIHPRGKEPZAGT-UHFFFAOYSA-N 0 0 396.716 3.834 20 10 GHCDRN C[C@H](NC(=O)NC1CCC(C(F)F)CC1)c1ccc(N2CCOCC2)cc1 ZINC000837884057 1024782445 /nfs/dbraw/zinc/78/24/45/1024782445.db2.gz KJNDUFPANNCFMB-OOHWJJMZSA-N 0 0 381.467 3.707 20 10 GHCDRN Cc1cc(CC(=O)NC2(CO)CCSCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000838004488 1024872257 /nfs/dbraw/zinc/87/22/57/1024872257.db2.gz MKIPSFPLXXKAEX-UHFFFAOYSA-N 0 0 392.952 3.664 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC1(Cc2ccccc2)CCOCC1 ZINC000838477285 1025159614 /nfs/dbraw/zinc/15/96/14/1025159614.db2.gz FSDWCCVACHKYGS-UHFFFAOYSA-N 0 0 381.520 3.652 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)NCCC(C)(C)CO)cc2Cl)C1 ZINC000838577888 1025218108 /nfs/dbraw/zinc/21/81/08/1025218108.db2.gz DNNDSWVRLBYFKY-OAHLLOKOSA-N 0 0 381.948 3.784 20 10 GHCDRN C[C@H](CCCO)CNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000838579484 1025218712 /nfs/dbraw/zinc/21/87/12/1025218712.db2.gz UQZQVORMDMIYMX-HZPDHXFCSA-N 0 0 381.948 3.784 20 10 GHCDRN C[C@H](CCCCO)NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000838578915 1025219692 /nfs/dbraw/zinc/21/96/92/1025219692.db2.gz PGUQLOVRGXAMMI-JKSUJKDBSA-N 0 0 381.948 3.927 20 10 GHCDRN COc1cc(N2CCN(C(=O)c3cccc(C(C)C)c3)CC2)cc(OC)c1OC ZINC000832172371 1025278558 /nfs/dbraw/zinc/27/85/58/1025278558.db2.gz ZPKXCSXCFYJUKU-UHFFFAOYSA-N 0 0 398.503 3.798 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(C(=O)OC(C)(C)C)c1 ZINC000832177601 1025285644 /nfs/dbraw/zinc/28/56/44/1025285644.db2.gz BNWQGIRFGBFAQL-ZDUSSCGKSA-N 0 0 386.448 3.806 20 10 GHCDRN CCc1cccc(NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000838747694 1025341439 /nfs/dbraw/zinc/34/14/39/1025341439.db2.gz VTPSKZQJNBNKFS-UHFFFAOYSA-N 0 0 375.419 3.686 20 10 GHCDRN CC1(C)OC(=O)c2ccccc2[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001141538822 1025432151 /nfs/dbraw/zinc/43/21/51/1025432151.db2.gz WWAUSTJQEUKYCT-FQEVSTJZSA-N 0 0 378.472 3.636 20 10 GHCDRN O=C(NCc1ccc2cccnc2c1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001162607434 1025826433 /nfs/dbraw/zinc/82/64/33/1025826433.db2.gz QFFLFVFQBPIPSW-UHFFFAOYSA-N 0 0 391.305 3.797 20 10 GHCDRN CCOc1ccccc1N1CC[NH+](Cc2c([O-])ccc3c(C)cc(=O)oc32)CC1 ZINC001139127667 1025940307 /nfs/dbraw/zinc/94/03/07/1025940307.db2.gz ZUOXRWWYVKNEHP-UHFFFAOYSA-N 0 0 394.471 3.528 20 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394.519 3.706 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H](C)Cc1cnc2ccccc2n1 ZINC000839920515 1026347709 /nfs/dbraw/zinc/34/77/09/1026347709.db2.gz AUZBWUQXAQTJTF-ROUUACIJSA-N 0 0 390.531 3.930 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Cc1cncn1Cc1ccccc1 ZINC000839921501 1026348207 /nfs/dbraw/zinc/34/82/07/1026348207.db2.gz KBWMFKKYEZVZLP-IBGZPJMESA-N 0 0 390.531 3.596 20 10 GHCDRN COc1ccc(N2CCN(Cc3cccc(Br)c3F)CC2)cc1 ZINC001139531840 1026390477 /nfs/dbraw/zinc/39/04/77/1026390477.db2.gz WVISGFUVLXPOGQ-UHFFFAOYSA-N 0 0 379.273 3.919 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2CCn3ccnc32)c(C)n1-c1cccc(Br)c1 ZINC000833298974 1026397338 /nfs/dbraw/zinc/39/73/38/1026397338.db2.gz GARBCDBJIBMSMX-QGZVFWFLSA-N 0 0 399.292 3.928 20 10 GHCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H](c2ccccc2)C2(CO)CC=CC2)cc1 ZINC001164321230 1026484355 /nfs/dbraw/zinc/48/43/55/1026484355.db2.gz HSJYEZAAFZOALA-SFHVURJKSA-N 0 0 378.432 3.649 20 10 GHCDRN Cc1cc(C(=O)NC[C@]2(CO)CCc3ccccc32)c(C)n1-c1ccc(F)cc1 ZINC001164471114 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CCN(C(C)=O)c1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cn1 ZINC001166349230 1026980060 /nfs/dbraw/zinc/98/00/60/1026980060.db2.gz RJTKYQQEVBDSNY-UHFFFAOYSA-N 0 0 377.448 3.509 20 10 GHCDRN CCOC(=O)[C@@H]1C(=O)CCCN1c1nc2c(F)cccc2cc1[C@H](C)N=[N+]=[N-] ZINC001166731378 1027069864 /nfs/dbraw/zinc/06/98/64/1027069864.db2.gz MYUWWNMTQUZJDM-GTNSWQLSSA-N 0 0 385.399 3.846 20 10 GHCDRN COC(=O)c1cnc(N2CCc3c(c4cc(OC)ccc4n3C)C2)c(Cl)c1 ZINC001166818983 1027095234 /nfs/dbraw/zinc/09/52/34/1027095234.db2.gz JMPNVKXARPATIF-UHFFFAOYSA-N 0 0 385.851 3.585 20 10 GHCDRN Cc1cc(C(=O)CS[C@H]2CCCS(=O)(=O)C2)c(C)n1-c1cccc(F)c1 ZINC001166945103 1027162562 /nfs/dbraw/zinc/16/25/62/1027162562.db2.gz NLGTWQFNKMBDFN-KRWDZBQOSA-N 0 0 395.521 3.726 20 10 GHCDRN Cc1cc(C(=O)NCCc2cnoc2)c(C)n1-c1cccc(Br)c1 ZINC001167003903 1027189956 /nfs/dbraw/zinc/18/99/56/1027189956.db2.gz FYPKOBZOXUNZCK-UHFFFAOYSA-N 0 0 388.265 3.817 20 10 GHCDRN COc1cc(Nc2ccc3c(c2)OCCN3)ccc1I ZINC001209788886 1027192850 /nfs/dbraw/zinc/19/28/50/1027192850.db2.gz JBGAJQKXSNHWGP-UHFFFAOYSA-N 0 0 382.201 3.848 20 10 GHCDRN C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2[O-])[C@H](C)O1 ZINC001203370395 1027296145 /nfs/dbraw/zinc/29/61/45/1027296145.db2.gz ZKEUCMDJHGALLU-LWINAJNOSA-N 0 0 379.092 3.573 20 10 GHCDRN Nc1ccc2c(c1Nc1ccc3c(c1)OCCCO3)C(=O)c1ccccc1C2=O ZINC001210006017 1027311542 /nfs/dbraw/zinc/31/15/42/1027311542.db2.gz BREZQERAGJTLGJ-UHFFFAOYSA-N 0 0 386.407 3.949 20 10 GHCDRN Cc1sc(C)c(S(=O)(=O)N(C)Cc2ccccc2O)c1Br ZINC001210067221 1027330492 /nfs/dbraw/zinc/33/04/92/1027330492.db2.gz NUBMARVDBGWLRB-UHFFFAOYSA-N 0 0 390.324 3.654 20 10 GHCDRN COc1ncc(Nc2ccc(NC(=O)Nc3ccc(N)cc3)cc2)cc1[N+](=O)[O-] ZINC001210139980 1027355197 /nfs/dbraw/zinc/35/51/97/1027355197.db2.gz PZZHPBZVYBVQGW-UHFFFAOYSA-N 0 0 394.391 3.968 20 10 GHCDRN FC(F)(F)c1cc(N2CCOCC2)ccc1CNc1cc(NC2CC2)ncn1 ZINC000840246664 1027375249 /nfs/dbraw/zinc/37/52/49/1027375249.db2.gz WHZCNFRWZGZGPO-UHFFFAOYSA-N 0 0 393.413 3.518 20 10 GHCDRN c1ccc(COc2cc(NCc3ccc(N4CCOCC4)cc3)ncn2)cc1 ZINC000840247899 1027377869 /nfs/dbraw/zinc/37/78/69/1027377869.db2.gz CNNIEPOEKKFQLU-UHFFFAOYSA-N 0 0 376.460 3.504 20 10 GHCDRN CN1CCOc2cc(Nc3ccc(NC(=O)Nc4ccc(N)cc4)cc3)cnc21 ZINC001203497624 1027382295 /nfs/dbraw/zinc/38/22/95/1027382295.db2.gz RYHWJHQNSOLQQZ-UHFFFAOYSA-N 0 0 390.447 3.880 20 10 GHCDRN CC(=O)c1ccc2c(c1)CN(C(=O)N[C@H](C)c1ccc(N3CCOCC3)cc1)C2 ZINC000840272061 1027396268 /nfs/dbraw/zinc/39/62/68/1027396268.db2.gz RUFBCTVWARYZNR-MRXNPFEDSA-N 0 0 393.487 3.512 20 10 GHCDRN C[C@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2[O-])CC[C@H]1O ZINC001203562280 1027434279 /nfs/dbraw/zinc/43/42/79/1027434279.db2.gz GRDBULBIDKIJAE-TVQRCGJNSA-N 0 0 393.119 3.510 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)c1csnn1 ZINC000840367841 1027491600 /nfs/dbraw/zinc/49/16/00/1027491600.db2.gz QHHQPKCPHWBVLN-STQMWFEESA-N 0 0 393.944 3.988 20 10 GHCDRN CC(C)OCc1ncn2c1CN(Cc1cc(Br)ccc1O)CCC2 ZINC001203642062 1027500086 /nfs/dbraw/zinc/50/00/86/1027500086.db2.gz CPPHJVSBIPNQGT-UHFFFAOYSA-N 0 0 394.313 3.682 20 10 GHCDRN CC(=O)c1ccc(S(C)(=O)=O)c(N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000840385444 1027501844 /nfs/dbraw/zinc/50/18/44/1027501844.db2.gz WPBWEHOTKGONKA-HNNXBMFYSA-N 0 0 388.533 3.710 20 10 GHCDRN Oc1ccc(Br)cc1CN1CCc2ncc(Br)cc2C1 ZINC001203643087 1027501756 /nfs/dbraw/zinc/50/17/56/1027501756.db2.gz RVKJICDHRAGCGX-UHFFFAOYSA-N 0 0 398.098 3.871 20 10 GHCDRN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840482684 1027567973 /nfs/dbraw/zinc/56/79/73/1027567973.db2.gz ZECDGHAHJSBKRQ-QRWLVFNGSA-N 0 0 383.540 3.879 20 10 GHCDRN CC(=O)c1cc(Nc2ccc(OCCCOc3ccc(N)cc3)cc2)ccn1 ZINC001210597752 1027569742 /nfs/dbraw/zinc/56/97/42/1027569742.db2.gz MRNPMBOBKNJDRA-UHFFFAOYSA-N 0 0 377.444 3.880 20 10 GHCDRN CN(C)C(=O)C1(NC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC1 ZINC000840501630 1027582148 /nfs/dbraw/zinc/58/21/48/1027582148.db2.gz WFTNSMUGLIANQB-UHFFFAOYSA-N 0 0 379.464 3.519 20 10 GHCDRN CN(C)C(=O)[C@H]1CCN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)C1 ZINC000840506658 1027584731 /nfs/dbraw/zinc/58/47/31/1027584731.db2.gz AYJDKCPHVSBHDM-INIZCTEOSA-N 0 0 393.491 3.718 20 10 GHCDRN COc1ccc(N2CCN(Cc3cccc(Br)c3)CC2)c(OC)c1 ZINC001203767199 1027589995 /nfs/dbraw/zinc/58/99/95/1027589995.db2.gz CCJSFPILQAVADV-UHFFFAOYSA-N 0 0 391.309 3.789 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001141979979 1027800575 /nfs/dbraw/zinc/80/05/75/1027800575.db2.gz FQHHPMBDIFJDRY-INIZCTEOSA-N 0 0 377.529 3.745 20 10 GHCDRN Cc1cccc(C)c1NC(=S)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840841650 1027873318 /nfs/dbraw/zinc/87/33/18/1027873318.db2.gz MBNNELQQPSMDAY-UHFFFAOYSA-N 0 0 391.487 3.905 20 10 GHCDRN Cc1ccc(NC(=S)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1C ZINC000840841729 1027873734 /nfs/dbraw/zinc/87/37/34/1027873734.db2.gz NBOWWVNMZJKNGX-UHFFFAOYSA-N 0 0 391.487 3.905 20 10 GHCDRN COC(=O)[C@H](C)c1cccc(NC(=S)NCCCN(C)c2ccccc2)c1 ZINC000840854262 1027887213 /nfs/dbraw/zinc/88/72/13/1027887213.db2.gz AWVVZDLDOMFTPM-MRXNPFEDSA-N 0 0 385.533 3.776 20 10 GHCDRN COC(=O)[C@H](C)c1ccc(NC(=S)NCCCN(C)c2ccccc2)cc1 ZINC000840867688 1027904118 /nfs/dbraw/zinc/90/41/18/1027904118.db2.gz UJOXKAFFVOHTBW-MRXNPFEDSA-N 0 0 385.533 3.776 20 10 GHCDRN CCOCc1nnc(NCc2ccc(N3CCCCC3)c(Br)c2)o1 ZINC000840878756 1027915296 /nfs/dbraw/zinc/91/52/96/1027915296.db2.gz IFQVYOPLILCGHC-UHFFFAOYSA-N 0 0 395.301 3.971 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1cc(Br)cc(F)c1[O-] ZINC000840879348 1027916440 /nfs/dbraw/zinc/91/64/40/1027916440.db2.gz FFVCFWSLYNRBJS-PWSUYJOCSA-N 0 0 386.236 3.860 20 10 GHCDRN COc1cc(NCc2ccc(N3CCOCC3)c(F)c2)c(Cl)c(OC)c1 ZINC000840956181 1027985318 /nfs/dbraw/zinc/98/53/18/1027985318.db2.gz KNYTYTJTLPHXMK-UHFFFAOYSA-N 0 0 380.847 3.945 20 10 GHCDRN Cc1ccc(O)c(CNS(=O)(=O)c2cc(Cl)ccc2OCC2CC2)c1 ZINC001213165347 1028023374 /nfs/dbraw/zinc/02/33/74/1028023374.db2.gz SZNGWDPEZKLRIE-UHFFFAOYSA-N 0 0 381.881 3.621 20 10 GHCDRN COc1ccc(-c2noc(-c3csc(-c4ccc(N(C)C)cc4)n3)n2)nc1 ZINC001213243482 1028065801 /nfs/dbraw/zinc/06/58/01/1028065801.db2.gz VBOWJFZXTHNZFD-UHFFFAOYSA-N 0 0 379.445 3.997 20 10 GHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1SCCCS1 ZINC000841134438 1028196882 /nfs/dbraw/zinc/19/68/82/1028196882.db2.gz WUTSTFPPWIHBFQ-GFCCVEGCSA-N 0 0 388.505 3.569 20 10 GHCDRN O=c1ccc2cc(Nc3ccc(O)c4c3C(=O)c3ccccc3C4=O)ccc2[nH]1 ZINC001213779475 1028376675 /nfs/dbraw/zinc/37/66/75/1028376675.db2.gz BQBOPPHXXWWHRA-UHFFFAOYSA-N 0 0 382.375 3.753 20 10 GHCDRN Nc1ccc(NC(=O)NC2(c3cccc(OC(F)(F)F)c3)CCOCC2)cc1 ZINC000841297957 1028389427 /nfs/dbraw/zinc/38/94/27/1028389427.db2.gz WKEMINFQGNJLDN-UHFFFAOYSA-N 0 0 395.381 3.995 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccnc2cc(Cl)ccc21 ZINC001142235034 1028439674 /nfs/dbraw/zinc/43/96/74/1028439674.db2.gz IIKYTFCHGOKRIW-UHFFFAOYSA-N 0 0 381.863 3.655 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)c2c(C(F)(F)F)nc3ccccn32)cc1 ZINC000841379625 1028536409 /nfs/dbraw/zinc/53/64/09/1028536409.db2.gz LHNRDTRNUILRNJ-UHFFFAOYSA-N 0 0 376.382 3.691 20 10 GHCDRN Cc1nc(SC2CCCC2)sc1CC(=O)NCc1ccc(O)c(O)c1 ZINC000841407024 1028583275 /nfs/dbraw/zinc/58/32/75/1028583275.db2.gz WPFRTLKHNMTHGJ-UHFFFAOYSA-N 0 0 378.519 3.756 20 10 GHCDRN COCCn1nc(C)cc1-c1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC001214256222 1028626145 /nfs/dbraw/zinc/62/61/45/1028626145.db2.gz NOAURRQNFQGMHH-UHFFFAOYSA-N 0 0 377.448 3.962 20 10 GHCDRN COCCOc1ccnc(-c2nc(-c3ccc(-n4c(C)ccc4C)cc3)no2)n1 ZINC001214530537 1028779248 /nfs/dbraw/zinc/77/92/48/1028779248.db2.gz MGHNPIKIZTVBMA-UHFFFAOYSA-N 0 0 391.431 3.626 20 10 GHCDRN Cc1cc(NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)n(C2CCOCC2)n1 ZINC000841672574 1028817608 /nfs/dbraw/zinc/81/76/08/1028817608.db2.gz JJHPFSPMXXDRSW-MRXNPFEDSA-N 0 0 399.539 3.670 20 10 GHCDRN Nc1ccc(CCNC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000841691479 1028842786 /nfs/dbraw/zinc/84/27/86/1028842786.db2.gz ADBGSPRHSSAKHZ-HXUWFJFHSA-N 0 0 386.927 3.601 20 10 GHCDRN COc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])N2CCOCC2)cc1 ZINC000841744451 1028905925 /nfs/dbraw/zinc/90/59/25/1028905925.db2.gz NYTKAEHHNPMCMR-MGPUTAFESA-N 0 0 390.911 3.778 20 10 GHCDRN CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2[O-])s1 ZINC000841752943 1028912592 /nfs/dbraw/zinc/91/25/92/1028912592.db2.gz DALCIONQXAPMAP-OUAUKWLOSA-N 0 0 382.917 3.773 20 10 GHCDRN C[C@@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1cc(Br)cc(F)c1[O-] ZINC000841763041 1028921004 /nfs/dbraw/zinc/92/10/04/1028921004.db2.gz UIYHSOKGXVXWHD-LLVKDONJSA-N 0 0 390.293 3.512 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(N(C)C)c(C(F)(F)F)c1 ZINC000841765495 1028922732 /nfs/dbraw/zinc/92/27/32/1028922732.db2.gz AWOMEZCOCGAYSV-LLVKDONJSA-N 0 0 397.397 3.935 20 10 GHCDRN CC1CCC(Oc2cc(CNC(=O)NCCc3ccc(N)cc3)ccn2)CC1 ZINC000841815831 1028963444 /nfs/dbraw/zinc/96/34/44/1028963444.db2.gz LXLWHNNTVFNXRK-UHFFFAOYSA-N 0 0 382.508 3.663 20 10 GHCDRN CCN(Cc1cccc(Br)c1)C(=O)NCCc1ccc(N)cc1 ZINC000841958315 1029014102 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COc1cc(Br)c(-c2noc(-c3ccc(O)c(O)c3)n2)cc1OC ZINC001215303986 1029140761 /nfs/dbraw/zinc/14/07/61/1029140761.db2.gz AKTKDXVTDMIEOK-UHFFFAOYSA-N 0 0 393.193 3.595 20 10 GHCDRN Oc1ccc(-c2nc(-c3cccc(-n4cc(Br)cn4)c3)no2)cc1O ZINC001215304542 1029140888 /nfs/dbraw/zinc/14/08/88/1029140888.db2.gz RBHDRRGNCLIFLF-UHFFFAOYSA-N 0 0 399.204 3.763 20 10 GHCDRN Oc1ccc(-c2nc(-c3cc(Cl)cc(Br)c3)no2)c(O)c1O ZINC001215325123 1029153739 /nfs/dbraw/zinc/15/37/39/1029153739.db2.gz BYHVQAQHVGBSFZ-UHFFFAOYSA-N 0 0 383.585 3.936 20 10 GHCDRN Cc1cc(F)c(-c2noc(-c3cc(O)c(O)c(O)c3)n2)cc1Br ZINC001215327675 1029154449 /nfs/dbraw/zinc/15/44/49/1029154449.db2.gz NRMWJPFBLOTHPH-UHFFFAOYSA-N 0 0 381.157 3.730 20 10 GHCDRN CCOc1ccc(Br)cc1-c1noc(-c2cc(O)c(O)c(O)c2)n1 ZINC001215327589 1029155319 /nfs/dbraw/zinc/15/53/19/1029155319.db2.gz JVTZGNNLMCPFRX-UHFFFAOYSA-N 0 0 393.193 3.682 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cnn(-c4ccccc4Cl)c3)C2)cc1 ZINC001461495097 1069577338 /nfs/dbraw/zinc/57/73/38/1069577338.db2.gz 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/nfs/dbraw/zinc/89/48/10/1069894810.db2.gz QSQIXGGDMUUCQT-UHFFFAOYSA-N 0 0 389.091 3.662 20 10 GHCDRN CCc1ncnc(Cl)c1N[C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1O ZINC001160616363 1035016721 /nfs/dbraw/zinc/01/67/21/1035016721.db2.gz IFUALVBKMYMNPL-QZTJIDSGSA-N 0 0 384.867 3.957 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(CCc2cccnc2OC(C)C)C1 ZINC001208799120 1035026726 /nfs/dbraw/zinc/02/67/26/1035026726.db2.gz RGGHUAKFMXVCTJ-UHFFFAOYSA-N 0 0 379.504 3.970 20 10 GHCDRN COc1ccc(N2CCN(Cc3ncc(Br)cc3F)CC2)c(C)c1 ZINC001231990056 1035026993 /nfs/dbraw/zinc/02/69/93/1035026993.db2.gz HMKKKPIWHGQPAI-UHFFFAOYSA-N 0 0 394.288 3.622 20 10 GHCDRN CCOC(=O)C(C(=O)OCC)c1ccc(C2=CCN(c3ccccc3)CC2)cn1 ZINC001241360480 1035566573 /nfs/dbraw/zinc/56/65/73/1035566573.db2.gz RPFWISMQEPVQOA-UHFFFAOYSA-N 0 0 394.471 3.585 20 10 GHCDRN COc1ccc(N2CCN(C(=S)Nc3cc(F)ccc3F)CC2)c(C)c1 ZINC001248581706 1035970500 /nfs/dbraw/zinc/97/05/00/1035970500.db2.gz IYIMOMOFCZPAIF-UHFFFAOYSA-N 0 0 377.460 3.801 20 10 GHCDRN 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ZINC001233031112 1038784406 /nfs/dbraw/zinc/78/44/06/1038784406.db2.gz VZVAFMXMURBTBM-UHFFFAOYSA-N 0 0 384.245 3.943 20 10 GHCDRN [O-]c1c(C[NH+]2CCC3(CC2)CN(Cc2cccs2)CCO3)ccc(F)c1F ZINC001233074028 1038835619 /nfs/dbraw/zinc/83/56/19/1038835619.db2.gz GIEULJAHZDMJTL-UHFFFAOYSA-N 0 0 394.487 3.599 20 10 GHCDRN O=C(c1ccco1)N1CCCC12CC[NH+](Cc1ccc(F)c(F)c1[O-])CC2 ZINC001233076869 1038841895 /nfs/dbraw/zinc/84/18/95/1038841895.db2.gz WKSZGJPRCDRGNR-UHFFFAOYSA-N 0 0 376.403 3.534 20 10 GHCDRN O=C(c1ccsc1)N1CCC2(C1)CC[NH+](Cc1ccc(F)c(F)c1[O-])CC2 ZINC001233076674 1038843242 /nfs/dbraw/zinc/84/32/42/1038843242.db2.gz SGINNMBAEKCUAU-UHFFFAOYSA-N 0 0 392.471 3.860 20 10 GHCDRN O=C1OC2(CC[NH+](Cc3ccc(F)c(F)c3[O-])CC2)c2ccc(Cl)cc21 ZINC001233078796 1038845022 /nfs/dbraw/zinc/84/50/22/1038845022.db2.gz KLLXKNVVEOHQTL-UHFFFAOYSA-N 0 0 379.790 3.986 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N3CCCc4ccccc4CC3)C2)cc1 ZINC001252115132 1038866386 /nfs/dbraw/zinc/86/63/86/1038866386.db2.gz IKQOQOLIQZGENZ-LJQANCHMSA-N 0 0 393.531 3.722 20 10 GHCDRN COc1cc(O)c(CN2CCC(=O)[C@@H](C)C23CCCC3)cc1Br ZINC001233141208 1038920626 /nfs/dbraw/zinc/92/06/26/1038920626.db2.gz FERLEMXNOPSIOL-GFCCVEGCSA-N 0 0 382.298 3.887 20 10 GHCDRN COc1cc(Cl)cc(CN2Cc3ncn(C)c3[C@H](COCC(C)C)C2)c1O ZINC001233288479 1039069266 /nfs/dbraw/zinc/06/92/66/1039069266.db2.gz MDGUJCBVZWFSGZ-HNNXBMFYSA-N 0 0 393.915 3.560 20 10 GHCDRN COC(=O)c1cc(Br)c([O-])c(C[N@H+](C)Cc2ccc(OC)cc2)c1 ZINC001233307123 1039097731 /nfs/dbraw/zinc/09/77/31/1039097731.db2.gz RENGIGOWLGHGNI-UHFFFAOYSA-N 0 0 394.265 3.582 20 10 GHCDRN Cc1cccc(N2CCC[C@]3(CN(Cc4c(O)ccc(F)c4F)CCO3)C2)c1 ZINC001233333081 1039130940 /nfs/dbraw/zinc/13/09/40/1039130940.db2.gz JATZFFOKLNVDFV-QFIPXVFZSA-N 0 0 388.458 3.850 20 10 GHCDRN COC(=O)c1ccc(OC2CC[NH+](Cc3c([O-])ccc(F)c3F)CC2)cc1 ZINC001233334807 1039133212 /nfs/dbraw/zinc/13/32/12/1039133212.db2.gz UQFFCBJMODPLLU-UHFFFAOYSA-N 0 0 377.387 3.500 20 10 GHCDRN CN1C(=O)C[C@H](c2ccccc2)C12CC[NH+](Cc1c([O-])ccc(F)c1F)CC2 ZINC001233334230 1039135195 /nfs/dbraw/zinc/13/51/95/1039135195.db2.gz YJRLDABJYGKJCM-QGZVFWFLSA-N 0 0 386.442 3.651 20 10 GHCDRN Oc1ccc(F)c(F)c1CN1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001233333432 1039135873 /nfs/dbraw/zinc/13/58/73/1039135873.db2.gz VQCCCADEJSNLTD-YMRXKLBXSA-N 0 0 378.444 3.966 20 10 GHCDRN CC(C)(C)OC(=O)[C@@H]1Cc2ccccc2CN1Cc1c(O)ccc(F)c1F ZINC001233335937 1039137558 /nfs/dbraw/zinc/13/75/58/1039137558.db2.gz RSMBXNUDIKKFLC-KRWDZBQOSA-N 0 0 375.415 3.939 20 10 GHCDRN O=C1OC2(CC[NH+](Cc3c([O-])ccc(F)c3F)CC2)c2ccc(Cl)cc21 ZINC001233335880 1039139099 /nfs/dbraw/zinc/13/90/99/1039139099.db2.gz POUCEBYEFULUBW-UHFFFAOYSA-N 0 0 379.790 3.986 20 10 GHCDRN FC(F)(F)Oc1ccc(N2CCN(Cc3cccc4nccn43)CC2)cc1 ZINC001233364319 1039191350 /nfs/dbraw/zinc/19/13/50/1039191350.db2.gz DQYNXVLVEXTQFR-UHFFFAOYSA-N 0 0 376.382 3.555 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](Cc4ccccc4)[C@@H]3C)C2)cc1 ZINC001252925155 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377.282 3.894 20 10 GHCDRN CC(=O)c1cc(O)c(O)cc1OCc1cc(Br)cnc1OC(C)C ZINC001234475034 1040058542 /nfs/dbraw/zinc/05/85/42/1040058542.db2.gz CCNKVRMMMODDEK-UHFFFAOYSA-N 0 0 396.237 3.824 20 10 GHCDRN CC(=O)c1cc(O)c(O)cc1OC1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001234474411 1040059515 /nfs/dbraw/zinc/05/95/15/1040059515.db2.gz SAOCRUKRTOLVMF-UHFFFAOYSA-N 0 0 391.464 3.859 20 10 GHCDRN C[C@H](COc1ccccc1)Oc1cc(O)cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234746553 1040273056 /nfs/dbraw/zinc/27/30/56/1040273056.db2.gz AJELWRFLDUEVMK-GFCCVEGCSA-N 0 0 394.379 3.909 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254602102 1040373083 /nfs/dbraw/zinc/37/30/83/1040373083.db2.gz BGHURVWOKHUULK-KRWDZBQOSA-N 0 0 377.444 3.621 20 10 GHCDRN Oc1c(C[N@@H+]2C[C@H]3CCN(c4ncccn4)C[C@H]3C2)cccc1-c1ccccc1 ZINC001234988361 1040483072 /nfs/dbraw/zinc/48/30/72/1040483072.db2.gz NRLAKNDJZXACAS-TZIWHRDSSA-N 0 0 386.499 3.808 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C[C@@H](C(=O)OC(C)(C)C)C1 ZINC001235011141 1040500589 /nfs/dbraw/zinc/50/05/89/1040500589.db2.gz OJYDLSPVFZJIOG-HDICACEKSA-N 0 0 389.540 3.793 20 10 GHCDRN O=C1c2ccccc2[C@@H]2C[N@H+](Cc3cc(Br)cc(F)c3[O-])C[C@H]12 ZINC001235058492 1040547733 /nfs/dbraw/zinc/54/77/33/1040547733.db2.gz NBEQUKYZWDQRDL-GJZGRUSLSA-N 0 0 376.225 3.706 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1C[NH+]1CCC(Oc2ccc(F)cn2)CC1 ZINC001235075923 1040565071 /nfs/dbraw/zinc/56/50/71/1040565071.db2.gz RMXOAXYSICWRMG-UHFFFAOYSA-N 0 0 399.235 3.871 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2cc(C)c(OCCO)c(C)c2)C1 ZINC001235358501 1040839892 /nfs/dbraw/zinc/83/98/92/1040839892.db2.gz VEXJYQGMTNJLBX-UHFFFAOYSA-N 0 0 394.515 3.733 20 10 GHCDRN CC(C)N(C)C(=O)c1noc2c1CN(Cc1ccc(C(C)(C)C)cc1O)CC2 ZINC001235682146 1041148453 /nfs/dbraw/zinc/14/84/53/1041148453.db2.gz ODINNUDPICFCSM-UHFFFAOYSA-N 0 0 385.508 3.716 20 10 GHCDRN CC(C)(C)c1ccc(C[N@@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)c(O)c1 ZINC001235681482 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Cc1ccc(C(N)=O)cc1NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000058449462 856786804 /nfs/dbraw/zinc/78/68/04/856786804.db2.gz OAZLJMWPXYGMIM-UHFFFAOYSA-N 0 0 379.416 3.627 20 10 GHCDRN COc1ccc(OC(F)F)c(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000542925378 856842053 /nfs/dbraw/zinc/84/20/53/856842053.db2.gz YLCBGKUZVYTVHA-UHFFFAOYSA-N 0 0 393.390 3.794 20 10 GHCDRN CC(C)O[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C1(C)C ZINC000766085266 856934680 /nfs/dbraw/zinc/93/46/80/856934680.db2.gz ADMYSTOLZCQRRG-MOPGFXCFSA-N 0 0 391.581 3.631 20 10 GHCDRN COC(=O)CCCN1C(=O)/C(=C/c2ccc(C(F)(F)F)s2)SC1=S ZINC000760989922 857004206 /nfs/dbraw/zinc/00/42/06/857004206.db2.gz SXYJQKSPOVRRAA-CLFYSBASSA-N 0 0 395.449 3.921 20 10 GHCDRN C[C@H](Oc1ccccc1Cl)C(=O)NCc1cccc(Br)c1O ZINC000765765270 857012743 /nfs/dbraw/zinc/01/27/43/857012743.db2.gz QSQWFPPAZDTMFU-JTQLQIEISA-N 0 0 384.657 3.892 20 10 GHCDRN CCOCCOCc1cccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000542943039 857016298 /nfs/dbraw/zinc/01/62/98/857016298.db2.gz FJLKXEUJKDYGNF-UHFFFAOYSA-N 0 0 399.491 3.737 20 10 GHCDRN O=C(COc1ccc(F)c(Cl)c1)NCc1cccc(Br)c1O ZINC000765764626 857123434 /nfs/dbraw/zinc/12/34/34/857123434.db2.gz NBBMVLCKNBIEQX-UHFFFAOYSA-N 0 0 388.620 3.642 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N[C@@H]3C[C@H](OC(C)C)C3(C)C)CC2)cc1 ZINC000766104420 857146474 /nfs/dbraw/zinc/14/64/74/857146474.db2.gz JUFKWWIXFQKAJG-UXHICEINSA-N 0 0 389.540 3.555 20 10 GHCDRN COC(=O)N(C)c1ccc(NC(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000058643539 857203435 /nfs/dbraw/zinc/20/34/35/857203435.db2.gz JKBOSVQHDTYKBH-UHFFFAOYSA-N 0 0 382.464 3.593 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H](c4ccnn4C)C3)ccc21 ZINC000366914715 857580895 /nfs/dbraw/zinc/58/08/95/857580895.db2.gz IAKCLDAJGXQGQV-IBGZPJMESA-N 0 0 394.519 3.658 20 10 GHCDRN C[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1ccnc2c1CC(=O)N2 ZINC000907369446 857607817 /nfs/dbraw/zinc/60/78/17/857607817.db2.gz PDSJSNPKRDOXIS-HNNXBMFYSA-N 0 0 390.487 3.548 20 10 GHCDRN CCCc1c(NC(=O)/C=C\c2ccc(O)c(O)c2)cnn1-c1cc(C)ccn1 ZINC000761029466 857619205 /nfs/dbraw/zinc/61/92/05/857619205.db2.gz GRGPPYWHAHOYHS-VURMDHGXSA-N 0 0 378.432 3.591 20 10 GHCDRN CCCc1cc(=O)oc2cc(OCC(=O)NCc3ccc(N(C)C)cc3)ccc12 ZINC000027273623 857756425 /nfs/dbraw/zinc/75/64/25/857756425.db2.gz UDEDCIBQBLEPOP-UHFFFAOYSA-N 0 0 394.471 3.507 20 10 GHCDRN O=C(CNc1cc(-c2ccccn2)nc(-c2ccccn2)c1)c1ccc(O)c(O)c1 ZINC001170314742 881345760 /nfs/dbraw/zinc/34/57/60/881345760.db2.gz HAFHCJLKUWIWOY-UHFFFAOYSA-N 0 0 398.422 3.912 20 10 GHCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCOc1cccc(Cl)c1 ZINC000761116713 858566898 /nfs/dbraw/zinc/56/68/98/858566898.db2.gz HWPUQFSIIIYLGJ-UHFFFAOYSA-N 0 0 395.242 3.542 20 10 GHCDRN COc1ccc(Cl)cc1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761116222 858568468 /nfs/dbraw/zinc/56/84/68/858568468.db2.gz FGXVBSWPBOITDB-UHFFFAOYSA-N 0 0 395.242 3.672 20 10 GHCDRN Cc1cc(C(=O)N2CCO[C@]3(CCc4ccccc43)C2)c(C)n1-c1ccccn1 ZINC000158261569 858598442 /nfs/dbraw/zinc/59/84/42/858598442.db2.gz UXSSFMUDQDPMRJ-XMMPIXPASA-N 0 0 387.483 3.803 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000673314728 858644781 /nfs/dbraw/zinc/64/47/81/858644781.db2.gz SFFJQLDORVEIJY-OAHLLOKOSA-N 0 0 397.906 3.976 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c1 ZINC000729535485 858714854 /nfs/dbraw/zinc/71/48/54/858714854.db2.gz RVBFFKUJQLWOCT-BBRMVZONSA-N 0 0 380.485 3.517 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CN3C(=O)[C@@H]4CCCCN4C3=O)cc2Cl)C1 ZINC000804187973 858739267 /nfs/dbraw/zinc/73/92/67/858739267.db2.gz IBMWSKHLTXTRCG-KSSFIOAISA-N 0 0 375.900 3.893 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CN3C(=O)NC4(CCCC4)C3=O)cc2Cl)C1 ZINC000804188216 858745377 /nfs/dbraw/zinc/74/53/77/858745377.db2.gz KPDIERJHBZNUIZ-AWEZNQCLSA-N 0 0 375.900 3.941 20 10 GHCDRN Cc1cc(CC(=O)NCc2ncn(-c3ccccc3)n2)c(C)n1-c1ccccc1 ZINC001129265855 858810122 /nfs/dbraw/zinc/81/01/22/858810122.db2.gz BCZHQAUYBJGWBP-UHFFFAOYSA-N 0 0 385.471 3.534 20 10 GHCDRN COc1cc2cc(Cl)nc(NCC(=O)c3ccc(O)c(O)c3)c2cc1OC ZINC001170316381 881346385 /nfs/dbraw/zinc/34/63/85/881346385.db2.gz OXWYYAMYYOGJEU-UHFFFAOYSA-N 0 0 388.807 3.611 20 10 GHCDRN Cc1nc2sc3c(c2c(NCC(=O)c2ccc(O)c(O)c2)n1)CC[C@H](C)C3 ZINC001170316453 881346681 /nfs/dbraw/zinc/34/66/81/881346681.db2.gz RWGMQICCDCHEPK-JTQLQIEISA-N 0 0 383.473 3.831 20 10 GHCDRN O=C(CNc1ncc(Cl)c(-c2c[nH]c3ccccc32)n1)c1ccc(O)c(O)c1 ZINC001170316819 881347184 /nfs/dbraw/zinc/34/71/84/881347184.db2.gz PSROPYXYEDNHGP-UHFFFAOYSA-N 0 0 394.818 3.984 20 10 GHCDRN C[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccc(N2CCOCC2)cc1 ZINC000060106064 858877452 /nfs/dbraw/zinc/87/74/52/858877452.db2.gz GZOADWGQBNTDKU-KRWDZBQOSA-N 0 0 377.488 3.815 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(Br)c(C)n2)c1 ZINC000128762699 858983896 /nfs/dbraw/zinc/98/38/96/858983896.db2.gz DAXQXOYVHSOFAD-VIFPVBQESA-N 0 0 380.242 3.749 20 10 GHCDRN COc1cc(CNc2ccc([C@@H]3CC(=O)NC(=O)N3)cc2)c(O)c(C(C)(C)C)c1 ZINC000895346092 859187517 /nfs/dbraw/zinc/18/75/17/859187517.db2.gz UIHQOTLWQFLHNJ-SFHVURJKSA-N 0 0 397.475 3.581 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3cc(C)ccc3Br)CC2)cc1 ZINC000325209253 859197167 /nfs/dbraw/zinc/19/71/67/859197167.db2.gz KIINPZMDPXSETO-UHFFFAOYSA-N 0 0 389.293 3.729 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccn(-c3ncccc3F)n2)cc1 ZINC000760066741 859294817 /nfs/dbraw/zinc/29/48/17/859294817.db2.gz INLOIBMOKBQAOY-UHFFFAOYSA-N 0 0 382.443 3.574 20 10 GHCDRN Cc1cc(CNC(=O)NCc2nc3c(s2)COCC3)c(C)n1-c1ccccc1 ZINC000923458168 859326995 /nfs/dbraw/zinc/32/69/95/859326995.db2.gz QLGRVEDDCZNYCY-UHFFFAOYSA-N 0 0 396.516 3.623 20 10 GHCDRN CO/C(=C\c1ccccc1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000764381614 859425427 /nfs/dbraw/zinc/42/54/27/859425427.db2.gz DTXPNUFNYWHCIY-DJQLGGTQSA-N 0 0 398.478 3.743 20 10 GHCDRN CO/C(=C/c1ccccc1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000764458849 859456271 /nfs/dbraw/zinc/45/62/71/859456271.db2.gz BRQZHUPCKJMCFL-PXJFTPKESA-N 0 0 394.515 3.948 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Cc2cncn2Cc2ccccc2)cc1F ZINC000764507699 859475083 /nfs/dbraw/zinc/47/50/83/859475083.db2.gz QXKIBVYJXQEQPN-UHFFFAOYSA-N 0 0 394.494 3.776 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000764559980 859497065 /nfs/dbraw/zinc/49/70/65/859497065.db2.gz YNMPWIHCHIDRRF-QGZVFWFLSA-N 0 0 391.512 3.617 20 10 GHCDRN CC1(C)Cc2cccc(N3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)c2O1 ZINC000804236642 859537684 /nfs/dbraw/zinc/53/76/84/859537684.db2.gz WMFQOSVICZLNQH-UHFFFAOYSA-N 0 0 386.835 3.728 20 10 GHCDRN CSc1cccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3C[C@]34CCOC4)c2C)c1 ZINC000764649328 859553842 /nfs/dbraw/zinc/55/38/42/859553842.db2.gz GPVJJRLDWCWYAF-KNQAVFIVSA-N 0 0 399.512 3.969 20 10 GHCDRN Cc1ccccc1C[C@H](C)NC(=O)NCc1cccc(Br)c1O ZINC000764766001 859594393 /nfs/dbraw/zinc/59/43/93/859594393.db2.gz XLIKHDCENUZEEP-ZDUSSCGKSA-N 0 0 377.282 3.894 20 10 GHCDRN C[C@H]1CCCC[C@@H]1OCCNC(=O)NCc1cccc(Br)c1O ZINC000764765215 859601163 /nfs/dbraw/zinc/60/11/63/859601163.db2.gz RHNNQEJOGBQHDL-WFASDCNBSA-N 0 0 385.302 3.549 20 10 GHCDRN CC(C)[C@@H](CNC(=O)NCc1cccc(Br)c1O)c1cccnc1 ZINC000764790243 859610177 /nfs/dbraw/zinc/61/01/77/859610177.db2.gz IPTFBTQTBVETKW-OAHLLOKOSA-N 0 0 392.297 3.789 20 10 GHCDRN CCOc1nc(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)co1 ZINC001128488496 859611488 /nfs/dbraw/zinc/61/14/88/859611488.db2.gz FCEMRPCLFRGNNL-ZDUSSCGKSA-N 0 0 377.872 3.893 20 10 GHCDRN C[C@@H](N[C@H](c1nccn1C)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764810520 859625622 /nfs/dbraw/zinc/62/56/22/859625622.db2.gz RTZPDNBXSDEGFR-VGSWGCGISA-N 0 0 394.494 3.836 20 10 GHCDRN COCCOc1ccc(NC(=O)NCc2cccc(Br)c2O)cc1 ZINC000765227317 859855560 /nfs/dbraw/zinc/85/55/60/859855560.db2.gz NOLNZIGCDVZIJM-UHFFFAOYSA-N 0 0 395.253 3.502 20 10 GHCDRN CC(=O)Nc1ccc(C)c(NC(=O)NCc2cccc(Br)c2O)c1 ZINC000765240462 859859642 /nfs/dbraw/zinc/85/96/42/859859642.db2.gz DIFLBCJPPDCPKA-UHFFFAOYSA-N 0 0 392.253 3.743 20 10 GHCDRN CCOc1cc(NC(=O)NCc2cccc(Br)c2O)ccc1OC ZINC000765251797 859867005 /nfs/dbraw/zinc/86/70/05/859867005.db2.gz LUAACLYLTCXYRV-UHFFFAOYSA-N 0 0 395.253 3.884 20 10 GHCDRN C[C@H](NCc1cn2ccsc2n1)c1ccc(N2CCOCC2)cc1Cl ZINC000765345820 859922832 /nfs/dbraw/zinc/92/28/32/859922832.db2.gz ANKUWAFLNQMRDJ-ZDUSSCGKSA-N 0 0 376.913 3.737 20 10 GHCDRN O=C(COC(=O)C1(O)CCSCC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000765415900 859959087 /nfs/dbraw/zinc/95/90/87/859959087.db2.gz JILXAQUECGABGI-UHFFFAOYSA-N 0 0 399.472 3.842 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(OCC(F)(F)F)cn1 ZINC000765426359 859966506 /nfs/dbraw/zinc/96/65/06/859966506.db2.gz YJQXYVGUKHWAPZ-UHFFFAOYSA-N 0 0 380.366 3.537 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2OC)C1 ZINC000727170738 859982975 /nfs/dbraw/zinc/98/29/75/859982975.db2.gz XGCKDUSWMTWCNY-GOSISDBHSA-N 0 0 396.487 3.501 20 10 GHCDRN CCn1c2ccccc2c2cc(/C=C3\SC(=S)N(CC(N)=O)C3=O)ccc21 ZINC000727176288 859983645 /nfs/dbraw/zinc/98/36/45/859983645.db2.gz IRODEZAZFPMGTA-YVLHZVERSA-N 0 0 395.509 3.501 20 10 GHCDRN COC(=O)c1ccc(/C=C2/SC(=S)N(c3ccc(Cl)nc3)C2=O)cc1 ZINC000727178306 859985526 /nfs/dbraw/zinc/98/55/26/859985526.db2.gz UWUOPYINZORRKV-MDWZMJQESA-N 0 0 390.873 3.927 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)CN(C)Cc2c(F)cccc2Cl)cc1 ZINC000727238367 860008393 /nfs/dbraw/zinc/00/83/93/860008393.db2.gz JQSMJUWZNVJJSX-UHFFFAOYSA-N 0 0 377.891 3.636 20 10 GHCDRN O=C(NCCc1cc2ccccc2o1)NCc1cccc(Br)c1O ZINC000765510613 860036600 /nfs/dbraw/zinc/03/66/00/860036600.db2.gz LOHXAEQFYFZTSD-UHFFFAOYSA-N 0 0 389.249 3.943 20 10 GHCDRN C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1ccc(N2CCOCC2)cc1 ZINC000895894234 860064293 /nfs/dbraw/zinc/06/42/93/860064293.db2.gz KRBADJRNOYSGJH-CYBMUJFWSA-N 0 0 398.484 3.640 20 10 GHCDRN C[C@@H](Cc1ccccc1)NC(=S)NCc1cccc(Br)c1O ZINC000765991483 860092244 /nfs/dbraw/zinc/09/22/44/860092244.db2.gz AFJKNSPHPGHOTD-LBPRGKRZSA-N 0 0 379.323 3.750 20 10 GHCDRN CC(=O)c1cc([N+](=O)[O-])ccc1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840326151 860092452 /nfs/dbraw/zinc/09/24/52/860092452.db2.gz QMRWNCQEWPADMV-UHFFFAOYSA-N 0 0 391.374 3.524 20 10 GHCDRN CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000727735515 860208020 /nfs/dbraw/zinc/20/80/20/860208020.db2.gz BOYSMVCUTIPKEW-QFIPXVFZSA-N 0 0 389.540 3.769 20 10 GHCDRN CCC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000727843182 860294700 /nfs/dbraw/zinc/29/47/00/860294700.db2.gz UBWOMHVTZKHKRT-OAQYLSRUSA-N 0 0 381.520 3.734 20 10 GHCDRN CCC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000727843179 860294955 /nfs/dbraw/zinc/29/49/55/860294955.db2.gz UBWOMHVTZKHKRT-NRFANRHFSA-N 0 0 381.520 3.734 20 10 GHCDRN COc1ccccc1N1CC[C@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896037105 860295448 /nfs/dbraw/zinc/29/54/48/860295448.db2.gz PBHOAPGNVGFOND-CYBMUJFWSA-N 0 0 398.484 3.577 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CC(=O)Nc1cc(C)ccn1 ZINC000727855018 860297170 /nfs/dbraw/zinc/29/71/70/860297170.db2.gz XMBTXIGHCQRBNY-UHFFFAOYSA-N 0 0 382.489 3.570 20 10 GHCDRN COc1ccc(N2CCN(C(=O)[C@H](OC(C)(C)C)c3ccccc3)CC2)cc1 ZINC001127189261 860330339 /nfs/dbraw/zinc/33/03/39/860330339.db2.gz HJPUECGGTBDTRV-OAQYLSRUSA-N 0 0 382.504 3.900 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)NCc2nccn2CC(F)(F)F)cc1 ZINC000727945205 860332566 /nfs/dbraw/zinc/33/25/66/860332566.db2.gz NSDQDZZRBWRDJQ-UHFFFAOYSA-N 0 0 397.445 3.633 20 10 GHCDRN C[C@H]1Oc2ccc(C(=O)CSc3ncc(-c4ccccc4)n3C)cc2NC1=O ZINC000727977457 860346920 /nfs/dbraw/zinc/34/69/20/860346920.db2.gz ZIFSEVRPTWGBIE-CYBMUJFWSA-N 0 0 393.468 3.782 20 10 GHCDRN CCCS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000728021821 860354226 /nfs/dbraw/zinc/35/42/26/860354226.db2.gz HTIPQSLUTPZSCO-UHFFFAOYSA-N 0 0 387.505 3.691 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCCOC2)c(C)n1-c1ccccc1Br ZINC000729983314 860483688 /nfs/dbraw/zinc/48/36/88/860483688.db2.gz NPOZARSLTJTGMH-AWEZNQCLSA-N 0 0 377.282 3.765 20 10 GHCDRN C[C@@H](CCOc1ccccc1)C(=O)NCc1cccc(Br)c1O ZINC000765728585 860491519 /nfs/dbraw/zinc/49/15/19/860491519.db2.gz WJFXFESAMPXLSX-ZDUSSCGKSA-N 0 0 378.266 3.876 20 10 GHCDRN CCc1c(C(=O)NCc2cccc(Br)c2O)cnn1C(C)(C)C ZINC000765728423 860493098 /nfs/dbraw/zinc/49/30/98/860493098.db2.gz RNPCTVPMKOEUCQ-UHFFFAOYSA-N 0 0 380.286 3.599 20 10 GHCDRN COc1cccc2[nH]cc(CC(=O)NCc3cccc(Br)c3O)c21 ZINC000765730521 860500469 /nfs/dbraw/zinc/50/04/69/860500469.db2.gz CNBWBNJKRSJHSW-UHFFFAOYSA-N 0 0 389.249 3.504 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)c1cccc([C@@H]2CCCOC2)c1 ZINC000765737111 860532616 /nfs/dbraw/zinc/53/26/16/860532616.db2.gz QDOWXTKXNOLGEQ-MRXNPFEDSA-N 0 0 390.277 3.979 20 10 GHCDRN CCn1ncc2ccc(NC(=O)NC3CCN(c4ccc(OC)cc4)CC3)cc21 ZINC000170668586 860534487 /nfs/dbraw/zinc/53/44/87/860534487.db2.gz UYJQBKLTPWPSGD-UHFFFAOYSA-N 0 0 393.491 3.855 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)c1ccccc1OC(F)(F)F ZINC000765737740 860538077 /nfs/dbraw/zinc/53/80/77/860538077.db2.gz YIWBLRAAMHDFGR-UHFFFAOYSA-N 0 0 390.155 3.983 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)c1ccc(Br)s1 ZINC000765750752 860565380 /nfs/dbraw/zinc/56/53/80/860565380.db2.gz LESGRDGJXDICGW-UHFFFAOYSA-N 0 0 391.084 3.909 20 10 GHCDRN COc1ccc(SCC(=O)NCc2cccc(Br)c2O)cc1 ZINC000765752913 860566997 /nfs/dbraw/zinc/56/69/97/860566997.db2.gz JUPBNGBMMIEUPN-UHFFFAOYSA-N 0 0 382.279 3.572 20 10 GHCDRN CC(C)n1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(C2CCOCC2)n1 ZINC000856589018 881560477 /nfs/dbraw/zinc/56/04/77/881560477.db2.gz FDHIYZORZWFDFW-UHFFFAOYSA-N 0 0 384.524 3.696 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)/C=C(\C)c3ccccc3OC)CC2)cc1 ZINC000170763399 860684677 /nfs/dbraw/zinc/68/46/77/860684677.db2.gz MUTAQCGIOGVDKI-WUKNDPDISA-N 0 0 380.488 3.892 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](c3ccco3)N(C)C)ccc21 ZINC000489813139 860760283 /nfs/dbraw/zinc/76/02/83/860760283.db2.gz WXFCQLYHQNIERW-HXUWFJFHSA-N 0 0 383.492 3.530 20 10 GHCDRN COc1ccc(N(CC(=O)NC(=O)Nc2ccc(C)c(C)c2)CC2CC2)cc1 ZINC001170413665 881582985 /nfs/dbraw/zinc/58/29/85/881582985.db2.gz ZCYZFCYNCHHGAA-UHFFFAOYSA-N 0 0 381.476 3.877 20 10 GHCDRN Cc1cc(C(=O)NC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c(C)n1-c1ccccn1 ZINC000760588704 860892003 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ZINC000172197533 863343946 /nfs/dbraw/zinc/34/39/46/863343946.db2.gz VPIHFPWEXKTWRH-UHFFFAOYSA-N 0 0 375.519 3.656 20 10 GHCDRN CC(C)n1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C2CCOCC2)n1 ZINC000856678077 881651123 /nfs/dbraw/zinc/65/11/23/881651123.db2.gz GCIQYANXPNBEIZ-MRXNPFEDSA-N 0 0 384.524 3.915 20 10 GHCDRN CCC(=O)c1cccc(S(=O)(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC001212198839 881655812 /nfs/dbraw/zinc/65/58/12/881655812.db2.gz AJAOBNGMGGOHJM-INIZCTEOSA-N 0 0 388.533 3.563 20 10 GHCDRN COc1ccc(O)c(CNC(=O)c2cccc(NC(=O)c3cccs3)c2)c1 ZINC000114540691 881670582 /nfs/dbraw/zinc/67/05/82/881670582.db2.gz ZUWZQEIWSKVDIX-UHFFFAOYSA-N 0 0 382.441 3.645 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000172618945 863789317 /nfs/dbraw/zinc/78/93/17/863789317.db2.gz AIFWBYQHZWGFNB-FCHUYYIVSA-N 0 0 377.488 3.782 20 10 GHCDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1ccc(N2CC=CC2)cc1 ZINC000172629815 863820643 /nfs/dbraw/zinc/82/06/43/863820643.db2.gz RDZYVZJRXOZLIR-UHFFFAOYSA-N 0 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CCC(CC)NS(=O)(=O)c1ccc(NCc2ccc(N(C)C)cc2C)nc1 ZINC000734482680 864247867 /nfs/dbraw/zinc/24/78/67/864247867.db2.gz SJTYFVPZABVHHB-UHFFFAOYSA-N 0 0 390.553 3.535 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000734499355 864255031 /nfs/dbraw/zinc/25/50/31/864255031.db2.gz CKFGYXBTXRUPSY-UHFFFAOYSA-N 0 0 387.530 3.663 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000734502226 864257007 /nfs/dbraw/zinc/25/70/07/864257007.db2.gz KCBGCDRXONHYSD-UHFFFAOYSA-N 0 0 390.402 3.697 20 10 GHCDRN O=C(CCc1ccccc1O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173022918 864267853 /nfs/dbraw/zinc/26/78/53/864267853.db2.gz PXHCHJLLWATSBB-INIZCTEOSA-N 0 0 390.430 3.711 20 10 GHCDRN CCS[C@H](C)c1noc(CN(C)C(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC000897031977 864303030 /nfs/dbraw/zinc/30/30/30/864303030.db2.gz NLPJZRRKDWTBKC-SECBINFHSA-N 0 0 393.490 3.782 20 10 GHCDRN COCCOCc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)ccc1F ZINC000173084466 864326265 /nfs/dbraw/zinc/32/62/65/864326265.db2.gz 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CN1CCCc2cc(CNC(=O)N3CC[C@@H](COCc4ccccc4)C3)ccc21 ZINC000174446484 865804775 /nfs/dbraw/zinc/80/47/75/865804775.db2.gz JROGSRMIUWTWLQ-OAQYLSRUSA-N 0 0 393.531 3.817 20 10 GHCDRN COc1cc2c(cc1F)ncnc2N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000302529056 865836867 /nfs/dbraw/zinc/83/68/67/865836867.db2.gz CGCIENCFLOBRCE-AWEZNQCLSA-N 0 0 382.439 3.787 20 10 GHCDRN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000174520518 865864859 /nfs/dbraw/zinc/86/48/59/865864859.db2.gz KWEXDIHGCFQFEN-QFIPXVFZSA-N 0 0 390.483 3.851 20 10 GHCDRN O=C1COc2ccccc2N1CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000174524266 865868908 /nfs/dbraw/zinc/86/89/08/865868908.db2.gz PVFHJFMTLGLBCP-UHFFFAOYSA-N 0 0 381.259 3.604 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cscc1C(F)(F)F ZINC000857003396 881919815 /nfs/dbraw/zinc/91/98/15/881919815.db2.gz XWIWKPQUPZTZRX-UHFFFAOYSA-N 0 0 398.450 3.906 20 10 GHCDRN Cc1cc(NC(=S)NCCCN(C)c2ccccc2)ccc1C(=O)N(C)C ZINC000740772690 866003919 /nfs/dbraw/zinc/00/39/19/866003919.db2.gz 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ZINC000920275841 881980715 /nfs/dbraw/zinc/98/07/15/881980715.db2.gz NLFCFGLVHSTDPQ-SXWKCWPCSA-N 0 0 395.547 3.808 20 10 GHCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccnc(OCC(F)(F)F)c1 ZINC000741678611 866716836 /nfs/dbraw/zinc/71/68/36/866716836.db2.gz TWZDYZDWYRVVFS-UHFFFAOYSA-N 0 0 393.409 3.943 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000183476867 866771703 /nfs/dbraw/zinc/77/17/03/866771703.db2.gz PWWZOQPBYCKBLT-JTQLQIEISA-N 0 0 394.349 3.839 20 10 GHCDRN COc1cc(N(C)CCOc2cccc(Br)c2)cc(OC)c1OC ZINC000741795734 866799716 /nfs/dbraw/zinc/79/97/16/866799716.db2.gz NXDWDBLPAHFZKQ-UHFFFAOYSA-N 0 0 396.281 3.990 20 10 GHCDRN C[C@@H](Oc1cccc(Br)c1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000741914175 866893390 /nfs/dbraw/zinc/89/33/90/866893390.db2.gz DSWHDLNUHNMHSW-GFCCVEGCSA-N 0 0 395.272 3.738 20 10 GHCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCCCc1nc(C)no1 ZINC000742207657 867140317 /nfs/dbraw/zinc/14/03/17/867140317.db2.gz YDBNZATWKBQSPB-UHFFFAOYSA-N 0 0 386.477 3.758 20 10 GHCDRN 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ZINC000742684258 867482856 /nfs/dbraw/zinc/48/28/56/867482856.db2.gz USKZDJXTVFNEFY-UHFFFAOYSA-N 0 0 379.504 3.573 20 10 GHCDRN CCO[C@H](C)c1noc(CN(C)C(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 ZINC000742735992 867518710 /nfs/dbraw/zinc/51/87/10/867518710.db2.gz ORTTUVCNYVNXFX-MRXNPFEDSA-N 0 0 382.464 3.847 20 10 GHCDRN C[C@H](CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)C1CC1 ZINC000742750282 867546708 /nfs/dbraw/zinc/54/67/08/867546708.db2.gz BTSOUKZZKKBLRG-DNVCBOLYSA-N 0 0 389.540 3.871 20 10 GHCDRN COc1c([O-])c(C[NH2+][C@H](C)Cc2cn(C)c3ccc(F)cc23)ccc1[N+](=O)[O-] ZINC000840976931 867563415 /nfs/dbraw/zinc/56/34/15/867563415.db2.gz HUXINCUELBTFMJ-GFCCVEGCSA-N 0 0 387.411 3.661 20 10 GHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnc2ccccc2n1 ZINC000742800799 867565244 /nfs/dbraw/zinc/56/52/44/867565244.db2.gz SXTSISOWAAIQOG-CQSZACIVSA-N 0 0 398.413 3.630 20 10 GHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc2c(c1)CCO2 ZINC000742804853 867587960 /nfs/dbraw/zinc/58/79/60/867587960.db2.gz 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JJXDHYBYYNOCQV-SFHVURJKSA-N 0 0 379.298 3.747 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(Cl)nc(NC)c1 ZINC000743808859 868426814 /nfs/dbraw/zinc/42/68/14/868426814.db2.gz HPOZQTMPOIMPSP-UHFFFAOYSA-N 0 0 398.688 3.907 20 10 GHCDRN Cc1cc(CCNC(=O)c2cn(C)nc2-c2cccnc2)c(C)n1-c1ccccc1 ZINC000743845035 868459675 /nfs/dbraw/zinc/45/96/75/868459675.db2.gz JUGWJPFRNQGAGJ-UHFFFAOYSA-N 0 0 399.498 3.862 20 10 GHCDRN C[N@H+](Cc1ccc2nc(NC(=O)c3c(F)ccc(O)c3[O-])sc2c1)C1CC1 ZINC000857309544 882193524 /nfs/dbraw/zinc/19/35/24/882193524.db2.gz OOZWWYICHIOBCE-UHFFFAOYSA-N 0 0 387.436 3.693 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2cc(C(N)=O)cs2)c(C)n1-c1cccc(C)c1 ZINC000920602699 882200435 /nfs/dbraw/zinc/20/04/35/882200435.db2.gz ODCDZMBCNYJSKV-UHFFFAOYSA-N 0 0 396.468 3.603 20 10 GHCDRN C[C@@H](CCOc1ccccc1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000744465026 868862741 /nfs/dbraw/zinc/86/27/41/868862741.db2.gz KEOOPTMZNMORPR-SFHVURJKSA-N 0 0 384.545 3.961 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N[C@@H]3CCO[C@@H](CC(C)C)C3)CC2)cc1 ZINC000776937238 882269401 /nfs/dbraw/zinc/26/94/01/882269401.db2.gz FNSYVVJGOYGCII-NQIIRXRSSA-N 0 0 389.540 3.557 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1coc2cc(F)ccc12 ZINC000793532225 882279478 /nfs/dbraw/zinc/27/94/78/882279478.db2.gz ZTFUPGIFWNSFBQ-UHFFFAOYSA-N 0 0 382.435 3.711 20 10 GHCDRN CC[C@H](Oc1ccccc1C)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000857464507 882278280 /nfs/dbraw/zinc/27/82/80/882278280.db2.gz FLCWNWJMSKXGOR-IBGZPJMESA-N 0 0 386.467 3.649 20 10 GHCDRN CCOc1ccc([C@H](C)NC(=O)NCc2cccc(OC)c2O)cc1OCC ZINC000745282961 869418210 /nfs/dbraw/zinc/41/82/10/869418210.db2.gz QYVWFJWSZUCSTP-AWEZNQCLSA-N 0 0 388.464 3.759 20 10 GHCDRN Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)ccc1NC(=O)C1=S=CC=C1 ZINC000539647023 869539265 /nfs/dbraw/zinc/53/92/65/869539265.db2.gz QJLQXCLSAZLSNJ-UHFFFAOYSA-N 0 0 395.440 3.680 20 10 GHCDRN COc1cccc(CNC(=O)NCc2ccnc(Oc3ccccc3)c2)c1O ZINC000745477455 869600509 /nfs/dbraw/zinc/60/05/09/869600509.db2.gz CKFDMJZFUDLOLO-UHFFFAOYSA-N 0 0 379.416 3.588 20 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/nfs/dbraw/zinc/87/21/70/869872170.db2.gz JCSHDDDZFFXYHY-GHTZIAJQSA-N 0 0 398.503 3.859 20 10 GHCDRN CC[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1c(C)nn(C)c1C ZINC000745907621 869878620 /nfs/dbraw/zinc/87/86/20/869878620.db2.gz KHIANYCAYGLZIM-FQEVSTJZSA-N 0 0 383.540 3.928 20 10 GHCDRN C[C@@H](NC(=O)Nc1ccc(=O)n(Cc2ccccc2)c1)c1ccc(N(C)C)cc1 ZINC000775520279 870264621 /nfs/dbraw/zinc/26/46/21/870264621.db2.gz AJSZWSTWSIGQBF-QGZVFWFLSA-N 0 0 390.487 3.845 20 10 GHCDRN COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1F ZINC000761641820 882394625 /nfs/dbraw/zinc/39/46/25/882394625.db2.gz YTWCTIQKJULZKP-UHFFFAOYSA-N 0 0 375.355 3.862 20 10 GHCDRN Cc1cc(C(=O)N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c(C)n1C ZINC001192436746 870399067 /nfs/dbraw/zinc/39/90/67/870399067.db2.gz BURRWJWIGMIKRL-UHFFFAOYSA-N 0 0 381.398 3.503 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](C)C(C)(C)O)c(C)n1-c1ccccc1Br ZINC000746338850 870422492 /nfs/dbraw/zinc/42/24/92/870422492.db2.gz YJSNFGYUOYYAQP-ZDUSSCGKSA-N 0 0 379.298 3.746 20 10 GHCDRN Cc1cc(CCNC(=O)c2ccc([S@](C)=O)cc2)c(C)n1-c1ccccc1 ZINC000746426169 870656028 /nfs/dbraw/zinc/65/60/28/870656028.db2.gz MSFJNNUSGRTAPJ-MHZLTWQESA-N 0 0 380.513 3.804 20 10 GHCDRN COc1ccc(Cl)cc1CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920881786 882435191 /nfs/dbraw/zinc/43/51/91/882435191.db2.gz RIEXRHKJWMSQNP-HNNXBMFYSA-N 0 0 388.895 3.605 20 10 GHCDRN C[C@H](NC(=O)N1CCC[C@@H]1c1cccnc1)c1ccc(N2CCOCC2)cc1 ZINC000920921130 882441338 /nfs/dbraw/zinc/44/13/38/882441338.db2.gz XXZUXYGRNNBCMY-LAUBAEHRSA-N 0 0 380.492 3.526 20 10 GHCDRN COC1(C)CCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)CC1 ZINC000775558772 870825956 /nfs/dbraw/zinc/82/59/56/870825956.db2.gz VJSFMNUMLHNTDA-UHFFFAOYSA-N 0 0 384.476 3.506 20 10 GHCDRN COc1cc(C(=O)Nc2cc(-c3ccccc3)nn2C2CCC2)cc(O)c1O ZINC001193089249 870875482 /nfs/dbraw/zinc/87/54/82/870875482.db2.gz NRJGQTKHAXDQNW-UHFFFAOYSA-N 0 0 379.416 3.947 20 10 GHCDRN Cc1ccc2c(c1NC(=O)c1csc(-c3ccc(N(C)C)cc3)n1)CNC2=O ZINC001193172152 870906082 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CC(=O)N1CC[C@@H](NC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)C1 ZINC000857687413 882471850 /nfs/dbraw/zinc/47/18/50/882471850.db2.gz HJJACKJKEQYCCR-QGZVFWFLSA-N 0 0 379.464 3.519 20 10 GHCDRN CCN(CCC(N)=O)C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)c1C ZINC001193559926 871186028 /nfs/dbraw/zinc/18/60/28/871186028.db2.gz QFMAAQDPNDKXNG-UHFFFAOYSA-N 0 0 375.472 3.790 20 10 GHCDRN CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193633891 871201264 /nfs/dbraw/zinc/20/12/64/871201264.db2.gz KCRAKNQODQMMCR-GOSISDBHSA-N 0 0 388.895 3.782 20 10 GHCDRN Cc1nc(-c2ccc(C)cc2)c(C(=O)NCCc2cc(O)c(O)cc2O)s1 ZINC001193893670 871382501 /nfs/dbraw/zinc/38/25/01/871382501.db2.gz FMQCKZKAHBPDME-UHFFFAOYSA-N 0 0 384.457 3.516 20 10 GHCDRN Fc1cccc(Cc2nnc(NCc3ccc(N4CCOCC4)cc3)s2)c1 ZINC000181821275 871508128 /nfs/dbraw/zinc/50/81/28/871508128.db2.gz PDUQIKALIXXGRI-UHFFFAOYSA-N 0 0 384.480 3.717 20 10 GHCDRN CCN(C1COC1)S(=O)(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1 ZINC001194198500 871552295 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CCn1cnnc1-c1ccccc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775615915 871970050 /nfs/dbraw/zinc/97/00/50/871970050.db2.gz UULZHXXHBJHKBL-HNNXBMFYSA-N 0 0 378.480 3.914 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N(C1CC1)C1CCCCC1 ZINC000766879480 872000734 /nfs/dbraw/zinc/00/07/34/872000734.db2.gz NXLGIRCFVOYPPR-UHFFFAOYSA-N 0 0 389.515 3.794 20 10 GHCDRN CC1CCC(N(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C2CC2)CC1 ZINC000766880045 872004970 /nfs/dbraw/zinc/00/49/70/872004970.db2.gz VNIYGDPMUZHCSL-UHFFFAOYSA-N 0 0 389.515 3.915 20 10 GHCDRN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC2CC2)C(C)C)cc1F ZINC000101567511 872107972 /nfs/dbraw/zinc/10/79/72/872107972.db2.gz MHDMKGWHHWPQJL-UHFFFAOYSA-N 0 0 399.466 3.580 20 10 GHCDRN CCO[C@H]1CCC[N@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000775633887 872151307 /nfs/dbraw/zinc/15/13/07/872151307.db2.gz MSAXSCKSWIMQJP-LBPRGKRZSA-N 0 0 393.119 3.918 20 10 GHCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)c1ncc(Br)s1 ZINC001195071071 872152912 /nfs/dbraw/zinc/15/29/12/872152912.db2.gz 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ZINC000805138028 883618299 /nfs/dbraw/zinc/61/82/99/883618299.db2.gz LTLAVNJZEWSDJA-GOSISDBHSA-N 0 0 393.531 3.738 20 10 GHCDRN Cc1ccc(C[C@@H](C)NC(=O)NCc2cc(Br)ccc2O)s1 ZINC000805141447 883620938 /nfs/dbraw/zinc/62/09/38/883620938.db2.gz FYKHSQJYYDLMMB-SNVBAGLBSA-N 0 0 383.311 3.955 20 10 GHCDRN Oc1ccccc1CN(Cc1ccncc1Br)C[C@H]1CCCO1 ZINC000859190478 883647318 /nfs/dbraw/zinc/64/73/18/883647318.db2.gz LPMVGRPGCWLYDL-MRXNPFEDSA-N 0 0 377.282 3.731 20 10 GHCDRN CCCN(CC(F)(F)F)C(=O)CN(Cc1ccco1)Cc1ccccc1O ZINC000859191275 883649005 /nfs/dbraw/zinc/64/90/05/883649005.db2.gz YGZIQZQENVABKW-UHFFFAOYSA-N 0 0 384.398 3.788 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)cc2)CC1 ZINC000859283471 883717141 /nfs/dbraw/zinc/71/71/41/883717141.db2.gz WTLKQFBHOHYPQO-XZOQPEGZSA-N 0 0 384.520 3.661 20 10 GHCDRN COc1cccc(CNC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)c1O ZINC000175428350 883761464 /nfs/dbraw/zinc/76/14/64/883761464.db2.gz NSRVWVSRHYRDKH-HNNXBMFYSA-N 0 0 389.883 3.522 20 10 GHCDRN Cc1cccc2c(O)c(C(=O)N[C@@H](C)Cc3ccc(N(C)C)cc3C)cnc12 ZINC001183705865 912747031 /nfs/dbraw/zinc/74/70/31/912747031.db2.gz BSSSGTBRRKOZRB-INIZCTEOSA-N 0 0 377.488 3.572 20 10 GHCDRN COc1ccc(C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)c(O)c1 ZINC000914499566 883786166 /nfs/dbraw/zinc/78/61/66/883786166.db2.gz UKTGPRJVECCJLY-UHFFFAOYSA-N 0 0 380.444 3.902 20 10 GHCDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000914499545 883786443 /nfs/dbraw/zinc/78/64/43/883786443.db2.gz SFNRGQGHSWFRDE-UHFFFAOYSA-N 0 0 394.431 3.800 20 10 GHCDRN C[C@@H]1CC[C@H](C)N(C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C1 ZINC000175449952 883808892 /nfs/dbraw/zinc/80/88/92/883808892.db2.gz SRJBRIKNGZOYMM-OLZOCXBDSA-N 0 0 392.411 3.631 20 10 GHCDRN Cc1ccccc1C[C@@H](C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000859460282 883828063 /nfs/dbraw/zinc/82/80/63/883828063.db2.gz PHLVMVOZCKLNNZ-LJQANCHMSA-N 0 0 380.532 3.699 20 10 GHCDRN C[C@@H]1CC(CCNC(=O)NCc2cc(Br)ccc2O)C[C@@H](C)O1 ZINC000805465349 883841605 /nfs/dbraw/zinc/84/16/05/883841605.db2.gz IUGWMWTYBOPNJY-VXGBXAGGSA-N 0 0 385.302 3.548 20 10 GHCDRN CCN(Cc1ccccc1)c1ccc(CN2CCS(=O)(=O)C[C@@H](C)C2)cc1 ZINC000249296076 912758189 /nfs/dbraw/zinc/75/81/89/912758189.db2.gz KIUOHWPMLWHMLJ-IBGZPJMESA-N 0 0 386.561 3.580 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCCCn1ccnc1C ZINC000859567967 883901754 /nfs/dbraw/zinc/90/17/54/883901754.db2.gz XNFYQWNPEYXMHH-UHFFFAOYSA-N 0 0 378.476 3.622 20 10 GHCDRN CC(C)(C)c1cc(CN2CCC(S(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000760397034 884050646 /nfs/dbraw/zinc/05/06/46/884050646.db2.gz PYTVEQVHQXNRIU-UHFFFAOYSA-N 0 0 381.582 3.996 20 10 GHCDRN O=C(c1ccccc1F)N1CCC([NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000190762706 884120951 /nfs/dbraw/zinc/12/09/51/884120951.db2.gz JJWIHJARNZDZTO-UHFFFAOYSA-N 0 0 380.822 3.718 20 10 GHCDRN CCO[C@@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)C(C)C ZINC000760471418 884125744 /nfs/dbraw/zinc/12/57/44/884125744.db2.gz ODCUZXXRGIETPZ-RTWAWAEBSA-N 0 0 376.541 3.711 20 10 GHCDRN CC(=O)NCC[C@H]1CCCN(CC(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC000805822725 884133990 /nfs/dbraw/zinc/13/39/90/884133990.db2.gz QWRPLSNFEPDHGX-OAQYLSRUSA-N 0 0 395.547 3.823 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](c1ccccc1C)C(C)C ZINC000805878086 884171120 /nfs/dbraw/zinc/17/11/20/884171120.db2.gz CPITXUFJZCYYFY-JOCHJYFZSA-N 0 0 395.547 3.923 20 10 GHCDRN CCCc1c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cnn1-c1ccccc1C ZINC000760491054 884197050 /nfs/dbraw/zinc/19/70/50/884197050.db2.gz GZYYTQHSCPSMDN-MRXNPFEDSA-N 0 0 393.487 3.905 20 10 GHCDRN C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1nccn1-c1ccccc1 ZINC000806059034 884302228 /nfs/dbraw/zinc/30/22/28/884302228.db2.gz VNMVGFGVFMJVIF-OAHLLOKOSA-N 0 0 381.455 3.638 20 10 GHCDRN CC(C)(NC(=O)NCCc1ccc(N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000841960144 884347320 /nfs/dbraw/zinc/34/73/20/884347320.db2.gz VSDAAEBFICSKNI-UHFFFAOYSA-N 0 0 381.398 3.944 20 10 GHCDRN COC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(Cl)c1F ZINC000806132756 884350770 /nfs/dbraw/zinc/35/07/70/884350770.db2.gz ZHNKYVKXPSDORN-SFHVURJKSA-N 0 0 396.865 3.932 20 10 GHCDRN CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1cccc(Cl)c1[O-] ZINC000806146869 884406483 /nfs/dbraw/zinc/40/64/83/884406483.db2.gz RKOMDKKJKPJBCP-RTBURBONSA-N 0 0 388.895 3.896 20 10 GHCDRN CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCOC)cc1)c1cccc(Cl)c1[O-] ZINC000806160936 884415938 /nfs/dbraw/zinc/41/59/38/884415938.db2.gz GIKGBELTMUIVIB-SFHVURJKSA-N 0 0 397.924 3.707 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCS[C@@H]3COCC[C@@H]32)ccc1C ZINC000860225890 884448666 /nfs/dbraw/zinc/44/86/66/884448666.db2.gz QIEQJNJDSUKOOC-PZJWPPBQSA-N 0 0 398.528 3.562 20 10 GHCDRN COC(=O)[C@]1(OC)CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000860238390 884469921 /nfs/dbraw/zinc/46/99/21/884469921.db2.gz PRSVQEUQAFWFJH-FQEVSTJZSA-N 0 0 382.420 3.898 20 10 GHCDRN CC[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccc(Cl)s1 ZINC000806228287 884490278 /nfs/dbraw/zinc/49/02/78/884490278.db2.gz WUPIBLQEYDQEAL-WFASDCNBSA-N 0 0 393.940 3.912 20 10 GHCDRN CC[C@@H](NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccc(Cl)s1 ZINC000806228283 884490341 /nfs/dbraw/zinc/49/03/41/884490341.db2.gz WUPIBLQEYDQEAL-IUODEOHRSA-N 0 0 393.940 3.912 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)cc1 ZINC000179116689 884495658 /nfs/dbraw/zinc/49/56/58/884495658.db2.gz HWQVSAUECWEDLK-QGZVFWFLSA-N 0 0 392.507 3.674 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)Nc1cnn(-c2ccccc2)c1 ZINC000806295501 884576119 /nfs/dbraw/zinc/57/61/19/884576119.db2.gz YQFMPEBCHCIKFM-UHFFFAOYSA-N 0 0 387.237 3.662 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000860339451 884576809 /nfs/dbraw/zinc/57/68/09/884576809.db2.gz BYEXDPQMYOFLCF-UXHICEINSA-N 0 0 380.488 3.795 20 10 GHCDRN Cc1cc(CCNC(=O)N2CC[C@@]3(C2)CCCOC3)c(C)n1-c1ccccc1 ZINC000806344761 884602585 /nfs/dbraw/zinc/60/25/85/884602585.db2.gz OHNRFDRSIRBLJA-HSZRJFAPSA-N 0 0 381.520 3.849 20 10 GHCDRN COC1(OC)CC2(CN(C(=O)c3cc4cc(O)c(O)cc4s3)[C@@H]2C(C)C)C1 ZINC000898344894 884761751 /nfs/dbraw/zinc/76/17/51/884761751.db2.gz QLLIFHBYIZXTHS-QGZVFWFLSA-N 0 0 391.489 3.562 20 10 GHCDRN CCc1cccc(N2C(=O)C(=Cc3cc(C)n(CCOC)c3C)NC2=S)c1 ZINC000153368231 884811569 /nfs/dbraw/zinc/81/15/69/884811569.db2.gz ANSBHOVWCAMYML-UYRXBGFRSA-N 0 0 383.517 3.576 20 10 GHCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cn2c(n1)COCC2 ZINC000860601968 884841577 /nfs/dbraw/zinc/84/15/77/884841577.db2.gz LVLSXVANUHJRMI-MRXNPFEDSA-N 0 0 377.444 3.523 20 10 GHCDRN CCOC(=O)[C@H](Cc1ccccc1)OC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000919078885 884851083 /nfs/dbraw/zinc/85/10/83/884851083.db2.gz NLHLORSDWZYSRY-FQEVSTJZSA-N 0 0 392.455 3.820 20 10 GHCDRN Cc1cc(C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)c(C)n1-c1ccccn1 ZINC000914848562 884938865 /nfs/dbraw/zinc/93/88/65/884938865.db2.gz FJOCTPBTGAZGNZ-UHFFFAOYSA-N 0 0 396.834 3.726 20 10 GHCDRN COc1cc(C2=N/C(=C\c3ccc(N(C)C)cc3)C(=O)O2)ccc1OC(F)F ZINC000008180212 884983802 /nfs/dbraw/zinc/98/38/02/884983802.db2.gz ACZACSCVCDARBV-GDNBJRDFSA-N 0 0 388.370 3.707 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)C2(NC(=O)OC(C)(C)C)CCCCC2)c1 ZINC000761967071 885049106 /nfs/dbraw/zinc/04/91/06/885049106.db2.gz GEOKSWPCMANVHN-AWEZNQCLSA-N 0 0 392.496 3.806 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](C)[C@@H](C)c2ccccc2)cc1 ZINC000806869167 885071233 /nfs/dbraw/zinc/07/12/33/885071233.db2.gz LYZSNDIFKBCDHK-RTBURBONSA-N 0 0 395.547 3.800 20 10 GHCDRN C[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@@H](C)c1ccccc1 ZINC000806869318 885071672 /nfs/dbraw/zinc/07/16/72/885071672.db2.gz QDBJMOSGVUIDNF-MSOLQXFVSA-N 0 0 393.531 3.552 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccccc2SCc2nc(C)no2)c1 ZINC000761974664 885081158 /nfs/dbraw/zinc/08/11/58/885081158.db2.gz WMDFNVMNEFIZHD-LBPRGKRZSA-N 0 0 399.472 3.876 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccsc2NC(=O)c2ccco2)c1 ZINC000761983401 885087558 /nfs/dbraw/zinc/08/75/58/885087558.db2.gz RHAMRKGTNMPNDG-LLVKDONJSA-N 0 0 386.429 3.799 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(-c2ccccc2)c1 ZINC000806899148 885102547 /nfs/dbraw/zinc/10/25/47/885102547.db2.gz BAQOPXFDRFAJLN-UHFFFAOYSA-N 0 0 387.483 3.983 20 10 GHCDRN CCc1nc2ccccc2n1CC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001299479156 912898343 /nfs/dbraw/zinc/89/83/43/912898343.db2.gz UMODYBVJYZTDDL-KRWDZBQOSA-N 0 0 378.520 3.721 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc(N)c(OC(F)(F)F)c1 ZINC001299479799 912902607 /nfs/dbraw/zinc/90/26/07/912902607.db2.gz ZQERNZUDZVQXBF-ZDUSSCGKSA-N 0 0 395.425 3.903 20 10 GHCDRN CC(C)(O)c1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1 ZINC000807005619 885157972 /nfs/dbraw/zinc/15/79/72/885157972.db2.gz FFHSTIDSHWNQEB-UHFFFAOYSA-N 0 0 395.503 3.801 20 10 GHCDRN O=C(NCCCCC1CCCC1)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000807017182 885185196 /nfs/dbraw/zinc/18/51/96/885185196.db2.gz GTCUYUXEIBEEGA-UHFFFAOYSA-N 0 0 398.503 3.991 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1F ZINC000153409631 885194157 /nfs/dbraw/zinc/19/41/57/885194157.db2.gz PCIUMVKHNMVTRV-OXQOHEQNSA-N 0 0 387.503 3.661 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3cc4ccccc4cc3OC)C2)cc1 ZINC001130827240 885211545 /nfs/dbraw/zinc/21/15/45/885211545.db2.gz WXCIDLXTGNMDFK-SFHVURJKSA-N 0 0 376.456 3.866 20 10 GHCDRN CC(C)Oc1cccc(CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000117975787 885234507 /nfs/dbraw/zinc/23/45/07/885234507.db2.gz AFCLYXQJLQMIBD-NRFANRHFSA-N 0 0 383.488 3.930 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@@H](c1ccccc1)C(C)C ZINC000807097137 885238828 /nfs/dbraw/zinc/23/88/28/885238828.db2.gz KIRBLYXMYGZYEB-OAQYLSRUSA-N 0 0 381.520 3.533 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000807100399 885240997 /nfs/dbraw/zinc/24/09/97/885240997.db2.gz KINUZNADZHYMOA-QFIPXVFZSA-N 0 0 393.531 3.725 20 10 GHCDRN Cc1oc(C2CC2)nc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000795857443 912915389 /nfs/dbraw/zinc/91/53/89/912915389.db2.gz SIFMDCBVNOKEIR-IBGZPJMESA-N 0 0 383.492 3.748 20 10 GHCDRN CC(C)[C@H](CC(F)(F)F)NC(=O)NCc1cc(Br)ccc1O ZINC000807158218 885268200 /nfs/dbraw/zinc/26/82/00/885268200.db2.gz NELNGIJZRGMHCQ-NSHDSACASA-N 0 0 383.208 3.931 20 10 GHCDRN CC(C)[C@@H](CC(F)(F)F)NC(=O)NCc1cc(Br)ccc1O ZINC000807158217 885269103 /nfs/dbraw/zinc/26/91/03/885269103.db2.gz NELNGIJZRGMHCQ-LLVKDONJSA-N 0 0 383.208 3.931 20 10 GHCDRN C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807290104 885344419 /nfs/dbraw/zinc/34/44/19/885344419.db2.gz POUURIRBJQDUID-INIZCTEOSA-N 0 0 397.906 3.552 20 10 GHCDRN Cc1cnc([C@H](C)CNC(=O)NCc2cc(Br)ccc2O)s1 ZINC000805280576 885356730 /nfs/dbraw/zinc/35/67/30/885356730.db2.gz KPFGFMAPDRKJDM-SECBINFHSA-N 0 0 384.299 3.523 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)C[C@@H](c3cccs3)n3cccc3)C2)cc1 ZINC001183961759 912928179 /nfs/dbraw/zinc/92/81/79/912928179.db2.gz BBNNDMUFBNZOPS-XLIONFOSSA-N 0 0 395.528 3.933 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@@H](c2ncon2)C(C)C)ccc1C ZINC000861333679 885403884 /nfs/dbraw/zinc/40/38/84/885403884.db2.gz LQIRGOUKNCPFAD-LJQANCHMSA-N 0 0 380.448 3.725 20 10 GHCDRN CCCOc1cc(C)ccc1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054437890 885428107 /nfs/dbraw/zinc/42/81/07/885428107.db2.gz BIQKBCDZIKPMAS-UHFFFAOYSA-N 0 0 383.492 3.942 20 10 GHCDRN Cc1c(CC(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cnn1C ZINC000795868693 912940132 /nfs/dbraw/zinc/94/01/32/912940132.db2.gz VWJCBUHMMUDXKC-UHFFFAOYSA-N 0 0 391.431 3.868 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1ccc2c(c1)COC(=O)N2 ZINC000861462965 885527768 /nfs/dbraw/zinc/52/77/68/885527768.db2.gz NPGHKPRQEVUCDK-AWEZNQCLSA-N 0 0 382.464 3.876 20 10 GHCDRN CCC(CC)[C@@H](CCNC(=O)NC1CCN(c2ccc(OC)cc2)CC1)OC ZINC000747403461 885540998 /nfs/dbraw/zinc/54/09/98/885540998.db2.gz RFBFSJMKMANHRV-OAQYLSRUSA-N 0 0 391.556 3.805 20 10 GHCDRN C[C@@H](NC(=O)C(=O)N1CCCCC[C@@H]1c1ccco1)c1ccc(N(C)C)cc1 ZINC000807672640 885621082 /nfs/dbraw/zinc/62/10/82/885621082.db2.gz FMJOMZVDWYNGQC-VQIMIIECSA-N 0 0 383.492 3.667 20 10 GHCDRN Cc1ccc([C@H](C)N(C)C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000807676519 885626190 /nfs/dbraw/zinc/62/61/90/885626190.db2.gz HDWHRUMUEKRPPX-ROUUACIJSA-N 0 0 381.520 3.766 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)c2ccn(-c3ccccc3F)n2)C2CC2)cc1 ZINC000915067225 885647796 /nfs/dbraw/zinc/64/77/96/885647796.db2.gz IPHITNGQCGVMQX-UHFFFAOYSA-N 0 0 378.451 3.882 20 10 GHCDRN CCOc1ccc(C(=O)CCC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000915083938 885708452 /nfs/dbraw/zinc/70/84/52/885708452.db2.gz QLHDSUGLVLMACJ-UHFFFAOYSA-N 0 0 380.488 3.965 20 10 GHCDRN CCC(CC)(CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)SC ZINC000807773253 885723041 /nfs/dbraw/zinc/72/30/41/885723041.db2.gz PNBAICFZWGUDOU-UHFFFAOYSA-N 0 0 393.597 3.528 20 10 GHCDRN COc1ccc2c(c1)CC[C@H]2C(=O)NCc1cc(Br)ccc1O ZINC000861687187 885764386 /nfs/dbraw/zinc/76/43/86/885764386.db2.gz KGTXHFRYQDZXSM-MRXNPFEDSA-N 0 0 376.250 3.510 20 10 GHCDRN C[C@@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O)c1ccncc1 ZINC001184071497 912975408 /nfs/dbraw/zinc/97/54/08/912975408.db2.gz IKVUIRIQYIPGAQ-RHSMWYFYSA-N 0 0 385.464 3.621 20 10 GHCDRN 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FGBYXIIZSLBEIR-UHFFFAOYSA-N 0 0 389.503 3.838 20 10 GHCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)[C@H](O)c1cccc(Cl)c1 ZINC001144816338 902953883 /nfs/dbraw/zinc/95/38/83/902953883.db2.gz YDMQVTBFLIFSAN-VNMIOBOBSA-N 0 0 381.823 3.992 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)c2cc(-c3csc(C)n3)c[nH]2)cc1 ZINC000846446046 902976628 /nfs/dbraw/zinc/97/66/28/902976628.db2.gz HLQUARKNKQMMTN-UHFFFAOYSA-N 0 0 384.505 3.664 20 10 GHCDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NCc1cc(Cl)ccc1O ZINC000846473910 903001873 /nfs/dbraw/zinc/00/18/73/903001873.db2.gz OIYHJTHFLFMSNG-SECBINFHSA-N 0 0 389.805 3.841 20 10 GHCDRN CCn1c2ccccc2c2cc(NC(=O)CN3C(=O)CSC3=S)ccc21 ZINC001144850688 903027043 /nfs/dbraw/zinc/02/70/43/903027043.db2.gz YTWVTYJBHTVYAC-UHFFFAOYSA-N 0 0 383.498 3.613 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c(OC)c1 ZINC000846745270 903185536 /nfs/dbraw/zinc/18/55/36/903185536.db2.gz FUNDGGNKYOWOOK-UHFFFAOYSA-N 0 0 394.393 3.685 20 10 GHCDRN CN1CCCc2cc(CNC(=O)c3nnn(-c4ccccc4)c3C(F)F)ccc21 ZINC000846842741 903260935 /nfs/dbraw/zinc/26/09/35/903260935.db2.gz JJNLTDHONGROPP-UHFFFAOYSA-N 0 0 397.429 3.517 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3cnccc3C(F)(F)F)CC2)cc1 ZINC000846854947 903273509 /nfs/dbraw/zinc/27/35/09/903273509.db2.gz ZDKSDMFRVPYIRQ-UHFFFAOYSA-N 0 0 379.382 3.508 20 10 GHCDRN Nc1ccc2c(c1NC(=O)CC1Cc3ccccc3C1)C(=O)c1ccccc1C2=O ZINC001146802017 903614111 /nfs/dbraw/zinc/61/41/11/903614111.db2.gz XDJZBRJMOXAFIT-UHFFFAOYSA-N 0 0 396.446 3.788 20 10 GHCDRN Cc1ncsc1C(=O)Nc1ccc(N(C)CCN(C)c2ccc(N)cc2)cc1 ZINC001147386250 903775758 /nfs/dbraw/zinc/77/57/58/903775758.db2.gz DAFBEROCOMLQFW-UHFFFAOYSA-N 0 0 395.532 3.859 20 10 GHCDRN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)Cc1ccc(O)c(O)c1 ZINC001147508738 903809642 /nfs/dbraw/zinc/80/96/42/903809642.db2.gz WRGPKAOXUHOQSO-UHFFFAOYSA-N 0 0 390.277 3.593 20 10 GHCDRN Cc1cc(=O)cc(C)n1CCCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000290612814 914757888 /nfs/dbraw/zinc/75/78/88/914757888.db2.gz BMWOYIMTUMCGMB-UHFFFAOYSA-N 0 0 383.536 3.749 20 10 GHCDRN CC(C)(C)OC(=O)c1ccccc1C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001148380575 904060326 /nfs/dbraw/zinc/06/03/26/904060326.db2.gz NUDAGUUUPAJFNI-UHFFFAOYSA-N 0 0 383.444 3.642 20 10 GHCDRN CC(C)CCO[C@H](CNC(=O)c1cc(O)c(O)c(O)c1)c1ccc(Cl)cc1 ZINC001148590531 904130566 /nfs/dbraw/zinc/13/05/66/904130566.db2.gz MAXCWCCMNGMENE-GOSISDBHSA-N 0 0 393.867 3.991 20 10 GHCDRN C[C@@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)c1ccc(N(C)C)cc1 ZINC000772992872 904181276 /nfs/dbraw/zinc/18/12/76/904181276.db2.gz CEPYMLFXKHQDFZ-SZNDQCEHSA-N 0 0 381.501 3.559 20 10 GHCDRN O=C(c1ccc2c(c1)C(=O)c1ccccc1-2)N1CCCc2cc(O)c(O)cc2C1 ZINC001148942588 904252942 /nfs/dbraw/zinc/25/29/42/904252942.db2.gz HPHYKNLQIAOQFY-UHFFFAOYSA-N 0 0 385.419 3.898 20 10 GHCDRN CCC(=O)c1cccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000152514745 904277416 /nfs/dbraw/zinc/27/74/16/904277416.db2.gz QSGGFPCEEZVQEK-UHFFFAOYSA-N 0 0 395.503 3.810 20 10 GHCDRN COc1c([O-])c(C[NH2+]Cc2ccc(Oc3ccccc3)nc2)ccc1[N+](=O)[O-] ZINC000775049195 914808655 /nfs/dbraw/zinc/80/86/55/914808655.db2.gz UGYKKAYJEDQQCU-UHFFFAOYSA-N 0 0 381.388 3.786 20 10 GHCDRN C[C@@H](NC(=O)COc1ccccc1OCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773002341 904359526 /nfs/dbraw/zinc/35/95/26/904359526.db2.gz ZKESOPSMTYCRIN-CQSZACIVSA-N 0 0 396.409 3.950 20 10 GHCDRN C[C@@H](N[C@H](CO)c1cccc(F)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000773008409 904363963 /nfs/dbraw/zinc/36/39/63/904363963.db2.gz LXZPDJOZEWBWMB-JLTOFOAXSA-N 0 0 378.875 3.700 20 10 GHCDRN CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773008252 904364569 /nfs/dbraw/zinc/36/45/69/904364569.db2.gz LWIKHXLXFUSLFQ-MRXNPFEDSA-N 0 0 378.476 3.828 20 10 GHCDRN C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(N(C)C)cc1 ZINC000773019879 904380185 /nfs/dbraw/zinc/38/01/85/904380185.db2.gz QVAZZHVOBKYNFS-HOCLYGCPSA-N 0 0 385.895 3.636 20 10 GHCDRN C[C@H](NC(=O)CCn1c(=O)oc2cc(Cl)ccc21)c1ccc(N(C)C)cc1 ZINC000773022607 904382280 /nfs/dbraw/zinc/38/22/80/904382280.db2.gz VWIIPXLFXCEWGO-ZDUSSCGKSA-N 0 0 387.867 3.581 20 10 GHCDRN C[C@@H](NC(=O)c1ccc2nc(C(F)(F)F)cn2c1)c1ccc(N(C)C)cc1 ZINC000773025406 904385262 /nfs/dbraw/zinc/38/52/62/904385262.db2.gz OWGRRVFXIQRMAM-GFCCVEGCSA-N 0 0 376.382 3.910 20 10 GHCDRN C[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(N(C)C)cc1 ZINC000773087227 904419408 /nfs/dbraw/zinc/41/94/08/904419408.db2.gz HJCYHVBCBPMHGO-LBPRGKRZSA-N 0 0 383.311 3.555 20 10 GHCDRN CCc1noc([C@@H]2CCCN(C(=O)c3cc(-n4c(C)ccc4C)ccc3O)C2)n1 ZINC001186839796 914816693 /nfs/dbraw/zinc/81/66/93/914816693.db2.gz GUUQMCFWQIOPAM-MRXNPFEDSA-N 0 0 394.475 3.765 20 10 GHCDRN Cc1nccn1-c1ccc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000773243847 904606987 /nfs/dbraw/zinc/60/69/87/904606987.db2.gz GJCLWQVDQNPIPB-HNNXBMFYSA-N 0 0 395.482 3.946 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000773317534 904705363 /nfs/dbraw/zinc/70/53/63/904705363.db2.gz QZVOOKOVIUYVQT-DEOSSOPVSA-N 0 0 389.499 3.794 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000826658673 904747392 /nfs/dbraw/zinc/74/73/92/904747392.db2.gz ZVDVFQIWKXNONO-QGZVFWFLSA-N 0 0 381.259 3.518 20 10 GHCDRN COc1c(O)c(CN2CCN(CC(F)(F)F)c3ccccc32)ccc1[N+](=O)[O-] ZINC000775056816 914842762 /nfs/dbraw/zinc/84/27/62/914842762.db2.gz MXIPFKZLNMWBCT-UHFFFAOYSA-N 0 0 397.353 3.698 20 10 GHCDRN Cc1c(CNC(=O)OC(C)(C)C)c(NCc2cc(Cl)c(F)cc2O)nn1C ZINC000826686469 904933280 /nfs/dbraw/zinc/93/32/80/904933280.db2.gz MRCCTADNYTWANT-UHFFFAOYSA-N 0 0 398.866 3.863 20 10 GHCDRN C[C@@H](NC(=O)Cc1csc(NC(=O)c2cccs2)n1)c1ccccc1O ZINC001171717520 904944703 /nfs/dbraw/zinc/94/47/03/904944703.db2.gz UPTWMMLTLDDHOM-LLVKDONJSA-N 0 0 387.486 3.582 20 10 GHCDRN COc1ccc(N(C)CCN(C)CC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC001171730105 904957428 /nfs/dbraw/zinc/95/74/28/904957428.db2.gz RGLZGAOVWLPNOX-UHFFFAOYSA-N 0 0 375.900 3.664 20 10 GHCDRN CCc1ccc([C@@H]2CN(C(=O)NCc3ccc(N4CC=CC4)cc3)CCO2)cc1 ZINC000189218075 905045250 /nfs/dbraw/zinc/04/52/50/905045250.db2.gz UOSZDCXLFBEEEA-QHCPKHFHSA-N 0 0 391.515 3.908 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccncc1Cl ZINC000174232902 905228429 /nfs/dbraw/zinc/22/84/29/905228429.db2.gz OVOHRSUHDZRGRA-UHFFFAOYSA-N 0 0 399.800 3.520 20 10 GHCDRN C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000174250153 905232984 /nfs/dbraw/zinc/23/29/84/905232984.db2.gz FUKOQQUPYSQJBW-CQSZACIVSA-N 0 0 397.454 3.844 20 10 GHCDRN CC(C)(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)cc1 ZINC000174442423 905273015 /nfs/dbraw/zinc/27/30/15/905273015.db2.gz NXABDWKXOSKWCQ-UHFFFAOYSA-N 0 0 388.458 3.520 20 10 GHCDRN Fc1ccc([C@@H]2CN(Cc3ccc(N4CCOCC4)c(F)c3)CCO2)c(F)c1 ZINC000779204363 905368255 /nfs/dbraw/zinc/36/82/55/905368255.db2.gz RAIJEBLSBGPBDI-NRFANRHFSA-N 0 0 392.421 3.514 20 10 GHCDRN CCOC(=O)c1csc([C@H]2CCCN2Cc2cc(OC)c(C)cc2O)n1 ZINC000189923303 905386696 /nfs/dbraw/zinc/38/66/96/905386696.db2.gz CQZGQAPJBCSHEU-OAHLLOKOSA-N 0 0 376.478 3.680 20 10 GHCDRN Cc1cc(C(=O)OCCCc2nc3ncccn3n2)c(C)n1-c1ccccc1C ZINC000779222806 905479102 /nfs/dbraw/zinc/47/91/02/905479102.db2.gz CZHCTHUCNVUGAF-UHFFFAOYSA-N 0 0 389.459 3.630 20 10 GHCDRN COc1cc(-c2noc(-c3nnsc3C3CC3)n2)ccc1-n1cnc(C)c1 ZINC001212679784 905793713 /nfs/dbraw/zinc/79/37/13/905793713.db2.gz UPPHOSSQZUGGFN-UHFFFAOYSA-N 0 0 380.433 3.635 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccnn1Cc1ccc(F)cc1 ZINC000429574948 905985347 /nfs/dbraw/zinc/98/53/47/905985347.db2.gz TVLQQINNHJQOCC-UHFFFAOYSA-N 0 0 395.438 3.567 20 10 GHCDRN CCCOc1cc(OC)ccc1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000190567783 906138463 /nfs/dbraw/zinc/13/84/63/906138463.db2.gz XXXFYHJMIWRWAT-UHFFFAOYSA-N 0 0 398.503 3.891 20 10 GHCDRN CC[C@@H](CC(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1)c1ccccc1 ZINC000190579483 906150068 /nfs/dbraw/zinc/15/00/68/906150068.db2.gz VHEMYPQVMAZHBK-NRFANRHFSA-N 0 0 393.531 3.555 20 10 GHCDRN CCCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000190623073 906177158 /nfs/dbraw/zinc/17/71/58/906177158.db2.gz QNLJPFAJMBDVJC-HNNXBMFYSA-N 0 0 398.503 3.860 20 10 GHCDRN CN(C)c1ccc(CNC(=O)NCc2ccccc2N2CCCCC2)cc1F ZINC000779341494 906337820 /nfs/dbraw/zinc/33/78/20/906337820.db2.gz IFXCXWHPYISSAF-UHFFFAOYSA-N 0 0 384.499 3.881 20 10 GHCDRN O=C(NCCCSc1nccs1)Nc1csc(-c2ccccn2)n1 ZINC000779350864 906346326 /nfs/dbraw/zinc/34/63/26/906346326.db2.gz GJJGIGPEJZDDFF-UHFFFAOYSA-N 0 0 377.520 3.966 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C ZINC000779387327 906665131 /nfs/dbraw/zinc/66/51/31/906665131.db2.gz GBNTVRAKXKHYMO-HNNXBMFYSA-N 0 0 379.501 3.617 20 10 GHCDRN COc1cccc(OC)c1Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001173924060 906741183 /nfs/dbraw/zinc/74/11/83/906741183.db2.gz CCCINTVIYJAYQY-UHFFFAOYSA-N 0 0 375.380 3.928 20 10 GHCDRN CC[C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 ZINC000180308727 906743822 /nfs/dbraw/zinc/74/38/22/906743822.db2.gz WSPQGSLZWYQDGF-UXLLHSPISA-N 0 0 382.451 3.578 20 10 GHCDRN C[C@H](NCc1nnc(-c2ccccc2)s1)c1ccc(N2CCOCC2)cc1 ZINC000181309455 906972549 /nfs/dbraw/zinc/97/25/49/906972549.db2.gz GDIWIBOYPVCCRT-INIZCTEOSA-N 0 0 380.517 3.893 20 10 GHCDRN Cc1sccc1N(C)c1cc2[nH]c(=O)n(-c3ccc(N)cc3)c(=O)c2cc1F ZINC001174463038 907064497 /nfs/dbraw/zinc/06/44/97/907064497.db2.gz BXCDMUCMRQOZDL-UHFFFAOYSA-N 0 0 396.447 3.950 20 10 GHCDRN CC(C)Oc1ccc(N(C)CC(=O)Nc2ccccc2N2CCCC2=O)cc1 ZINC000191580704 907090670 /nfs/dbraw/zinc/09/06/70/907090670.db2.gz VHGSHPHWXCXOSB-UHFFFAOYSA-N 0 0 381.476 3.676 20 10 GHCDRN O=C1c2ccccc2C(=O)c2cc(Nc3cnn([C@@H]4CCCCO4)c3)c(O)cc21 ZINC001174609633 907133809 /nfs/dbraw/zinc/13/38/09/907133809.db2.gz DELHIOSBOFIPEU-FQEVSTJZSA-N 0 0 389.411 3.807 20 10 GHCDRN O=C(Nc1ccc(Br)c(Br)c1)c1cccc(O)c1O ZINC001174860873 907261298 /nfs/dbraw/zinc/26/12/98/907261298.db2.gz FBPUUVKUDLEOAC-UHFFFAOYSA-N 0 0 387.027 3.875 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(-c2ncn(C)n2)cc1 ZINC000182917280 907291365 /nfs/dbraw/zinc/29/13/65/907291365.db2.gz OGFUCZANDXFWDS-UHFFFAOYSA-N 0 0 389.503 3.745 20 10 GHCDRN CCN(Cc1ccccc1)c1ccc(CN2CCS(=O)(=O)C[C@H](C)C2)cc1 ZINC000192067664 907386988 /nfs/dbraw/zinc/38/69/88/907386988.db2.gz KIUOHWPMLWHMLJ-LJQANCHMSA-N 0 0 386.561 3.580 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)c1ccc(Br)s1 ZINC000183461671 907391854 /nfs/dbraw/zinc/39/18/54/907391854.db2.gz HKQHFJBSIDKJKQ-NXEZZACHSA-N 0 0 384.295 3.773 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC(C2N=NC(=O)O2)CC1 ZINC000773492840 907516295 /nfs/dbraw/zinc/51/62/95/907516295.db2.gz OFZVHDKDOLAFRK-UHFFFAOYSA-N 0 0 380.448 3.511 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)Cn1ccc2sccc2c1=O ZINC001175694746 907670926 /nfs/dbraw/zinc/67/09/26/907670926.db2.gz ZLPQKHAQWAVJST-FQEVSTJZSA-N 0 0 396.512 3.825 20 10 GHCDRN COc1cc(OC)cc([C@@H](N[C@@H](C)c2ccc(C)cc2O)c2nccn2C)c1 ZINC000184960470 907687472 /nfs/dbraw/zinc/68/74/72/907687472.db2.gz WWECEFMGBNTRMV-YCRPNKLZSA-N 0 0 381.476 3.892 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 ZINC000801641530 921347441 /nfs/dbraw/zinc/34/74/41/921347441.db2.gz FYAIJMZSZUUAAA-UHFFFAOYSA-N 0 0 390.505 3.938 20 10 GHCDRN Cc1cc(CC(=O)N2CCc3ncncc3C2)c(C)n1-c1ccc(Cl)cc1 ZINC001175805576 907762137 /nfs/dbraw/zinc/76/21/37/907762137.db2.gz MMXSKSLVSRATHI-UHFFFAOYSA-N 0 0 380.879 3.665 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000186380153 907916436 /nfs/dbraw/zinc/91/64/36/907916436.db2.gz PPQWEQJUGLZTOS-QLJPJBMISA-N 0 0 384.259 3.576 20 10 GHCDRN CC(C)c1ccc(/C=C2/SC(=S)N(CCCN3CCOCC3)C2=O)cc1 ZINC000192840096 907954616 /nfs/dbraw/zinc/95/46/16/907954616.db2.gz RPPOOQYXOHTNMZ-NBVRZTHBSA-N 0 0 390.574 3.734 20 10 GHCDRN Cc1cc(C(=O)NC[C@H](C)N2CCc3sccc3C2)c(C)n1-c1ccccn1 ZINC000192854095 907966449 /nfs/dbraw/zinc/96/64/49/907966449.db2.gz XICLMYMYSNGMCM-INIZCTEOSA-N 0 0 394.544 3.727 20 10 GHCDRN Cc1cc(C(=O)NC[C@@H](C)N2CCc3sccc3C2)c(C)n1-c1ccccn1 ZINC000192854080 907966887 /nfs/dbraw/zinc/96/68/87/907966887.db2.gz XICLMYMYSNGMCM-MRXNPFEDSA-N 0 0 394.544 3.727 20 10 GHCDRN CN(C)c1ccc(/N=N/c2ccccc2C(=O)N2CCO[C@]3(CCOC3)C2)cc1 ZINC000187180038 908053057 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10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CC34CCOCC4)cc2Cl)C1 ZINC000836445671 1022977969 /nfs/dbraw/zinc/97/79/69/1022977969.db2.gz YJNYWDLUVDGQHR-HNAYVOBHSA-N 0 0 391.943 3.945 20 10 GHCDRN C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000836486407 1023020515 /nfs/dbraw/zinc/02/05/15/1023020515.db2.gz VGLHRAIBVXSJEJ-INIZCTEOSA-N 0 0 395.482 3.980 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000836486466 1023024003 /nfs/dbraw/zinc/02/40/03/1023024003.db2.gz WJKVBDBHEMNHGS-GJZGRUSLSA-N 0 0 375.266 3.758 20 10 GHCDRN CCOC(=O)c1sc([C@H](C)NCc2cc(F)cc(C(C)=O)c2O)nc1C ZINC000755034133 1023034375 /nfs/dbraw/zinc/03/43/75/1023034375.db2.gz LAPJWLRKSWJMKQ-JTQLQIEISA-N 0 0 380.441 3.526 20 10 GHCDRN O=C(NCc1cccc(C(F)(F)F)n1)NCc1c(O)ccc2c1CCCC2 ZINC000836547233 1023097507 /nfs/dbraw/zinc/09/75/07/1023097507.db2.gz HJDNMQUOIOMARI-UHFFFAOYSA-N 0 0 379.382 3.684 20 10 GHCDRN CC[C@H](C)[C@@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)OC ZINC000836547753 1023099738 /nfs/dbraw/zinc/09/97/38/1023099738.db2.gz QZRMGJSCCZEZGQ-KBXCAEBGSA-N 0 0 399.482 3.617 20 10 GHCDRN CC(C)Oc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)n1 ZINC000755172449 1023108486 /nfs/dbraw/zinc/10/84/86/1023108486.db2.gz MFFJDMNROAOEKR-HXUWFJFHSA-N 0 0 397.519 3.756 20 10 GHCDRN COC[C@@H](CNC(=O)N[C@H](C)c1cc(OC)ccc1O)c1ccc(Cl)cc1 ZINC000836583738 1023145735 /nfs/dbraw/zinc/14/57/35/1023145735.db2.gz RBMIDPZOMZJPOB-UKRRQHHQSA-N 0 0 392.883 3.845 20 10 GHCDRN C[C@]1(CNC(=O)NCc2cccc(Br)c2O)CC1(Cl)Cl ZINC000836592743 1023154757 /nfs/dbraw/zinc/15/47/57/1023154757.db2.gz MJDPKIBUSHVCMM-GFCCVEGCSA-N 0 0 382.085 3.538 20 10 GHCDRN COc1ccc(N2CCN(C(=O)N[C@@H](C)CCCC(F)(F)F)CC2)cc1F ZINC000755312459 1023188122 /nfs/dbraw/zinc/18/81/22/1023188122.db2.gz KETKEHKMQOOIPT-ZDUSSCGKSA-N 0 0 391.409 3.787 20 10 GHCDRN C[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)[C@H](C)NC(=O)OC(C)(C)C ZINC000755341983 1023204278 /nfs/dbraw/zinc/20/42/78/1023204278.db2.gz ABHZGRBOEONSEF-SJORKVTESA-N 0 0 389.540 3.842 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)Nc3cc(OC)c(C)c(OC)c3)CC2)cc1 ZINC000836666664 1023231384 /nfs/dbraw/zinc/23/13/84/1023231384.db2.gz DQSPCVZOBRLNMP-UHFFFAOYSA-N 0 0 399.491 3.811 20 10 GHCDRN C[C@@H](NC(=O)Nc1ccc([C@H]2CCOC2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000836695936 1023267445 /nfs/dbraw/zinc/26/74/45/1023267445.db2.gz DKAKRZNDIPXEBM-XLIONFOSSA-N 0 0 395.503 3.910 20 10 GHCDRN COc1cc(O)c(CN2CCc3c(Br)cccc3C2)c(OC)c1 ZINC001141029124 1023278791 /nfs/dbraw/zinc/27/87/91/1023278791.db2.gz JOWPEPJXLXNJBA-UHFFFAOYSA-N 0 0 378.266 3.730 20 10 GHCDRN CCCn1ncc(NC(=O)NCc2cccc(Br)c2O)c1C1CC1 ZINC000836712703 1023291930 /nfs/dbraw/zinc/29/19/30/1023291930.db2.gz ASSOXQFEGFLEAG-UHFFFAOYSA-N 0 0 393.285 3.960 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(C)cc1S(C)(=O)=O ZINC000836761707 1023345994 /nfs/dbraw/zinc/34/59/94/1023345994.db2.gz GIFFJIJMEKUSGS-UHFFFAOYSA-N 0 0 390.505 3.938 20 10 GHCDRN COc1ccc(O)c(CNC(=O)NCC2(c3cccc(F)c3F)CCCC2)c1 ZINC000755721495 1023350325 /nfs/dbraw/zinc/35/03/25/1023350325.db2.gz DWIVXTDPRZIANX-UHFFFAOYSA-N 0 0 390.430 3.990 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H]3[C@@H]3CCC[C@H]3O)c2C)cc1 ZINC000836819755 1023388028 /nfs/dbraw/zinc/38/80/28/1023388028.db2.gz PXZJCCIVJIPZSO-KSEOMHKRSA-N 0 0 382.504 3.868 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H]3[C@H]3CCC[C@H]3O)c2C)cc1 ZINC000836819738 1023388205 /nfs/dbraw/zinc/38/82/05/1023388205.db2.gz PXZJCCIVJIPZSO-CEMLEFRQSA-N 0 0 382.504 3.868 20 10 GHCDRN CC(C)[C@H]1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000755986249 1023467777 /nfs/dbraw/zinc/46/77/77/1023467777.db2.gz UKMNMHDRHHSOQZ-HNNXBMFYSA-N 0 0 381.467 3.944 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](C)c2ccc([S@@](C)=O)cc2)c(C)n1-c1ccccn1 ZINC000756041871 1023492894 /nfs/dbraw/zinc/49/28/94/1023492894.db2.gz MBLVTAQXSAWKGV-KUNJGFBQSA-N 0 0 381.501 3.718 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)c1 ZINC000756359751 1023605378 /nfs/dbraw/zinc/60/53/78/1023605378.db2.gz BMQJPXXZGKCFOV-CQSZACIVSA-N 0 0 379.460 3.832 20 10 GHCDRN C[C@@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756383936 1023621703 /nfs/dbraw/zinc/62/17/03/1023621703.db2.gz LVHKKAPMUSIWQQ-SNVBAGLBSA-N 0 0 389.304 3.921 20 10 GHCDRN Cc1cccc([C@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])N2CCOCC2)c1 ZINC000756408438 1023632298 /nfs/dbraw/zinc/63/22/98/1023632298.db2.gz MPAWUADESARYTB-YWZLYKJASA-N 0 0 376.447 3.703 20 10 GHCDRN Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])cc1 ZINC000756445472 1023654784 /nfs/dbraw/zinc/65/47/84/1023654784.db2.gz NYSKXKLKSBJTKU-LBPRGKRZSA-N 0 0 395.272 3.683 20 10 GHCDRN C[C@@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756450961 1023657864 /nfs/dbraw/zinc/65/78/64/1023657864.db2.gz WVFTWHFQLRNWDZ-CQSZACIVSA-N 0 0 378.432 3.826 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cc(F)ccc2Br)c1 ZINC000756457669 1023661752 /nfs/dbraw/zinc/66/17/52/1023661752.db2.gz SAIRUQLIQRZSBF-JTQLQIEISA-N 0 0 382.229 3.931 20 10 GHCDRN C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)c1cc(F)cc(F)c1[O-] ZINC000756459530 1023662577 /nfs/dbraw/zinc/66/25/77/1023662577.db2.gz OGRSBXVZXSAMSG-JTQLQIEISA-N 0 0 399.235 3.514 20 10 GHCDRN C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1cc(F)cc(F)c1[O-] ZINC000756478183 1023676611 /nfs/dbraw/zinc/67/66/11/1023676611.db2.gz DOKCPFOJJVLMMQ-SECBINFHSA-N 0 0 385.208 3.722 20 10 GHCDRN COc1ccc(Br)c(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756491688 1023683176 /nfs/dbraw/zinc/68/31/76/1023683176.db2.gz XNPQEWNZUDANAE-JTQLQIEISA-N 0 0 381.226 3.922 20 10 GHCDRN C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756528731 1023700291 /nfs/dbraw/zinc/70/02/91/1023700291.db2.gz WCYISOKPGBLQGL-SECBINFHSA-N 0 0 399.226 3.971 20 10 GHCDRN COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756531935 1023701057 /nfs/dbraw/zinc/70/10/57/1023701057.db2.gz BSTCJAYFTREQOD-DGCLKSJQSA-N 0 0 391.737 3.570 20 10 GHCDRN CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000756575830 1023717721 /nfs/dbraw/zinc/71/77/21/1023717721.db2.gz QQFSLEAEGKVCNJ-RVBZMBCESA-N 0 0 395.135 3.975 20 10 GHCDRN CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000756575827 1023718683 /nfs/dbraw/zinc/71/86/83/1023718683.db2.gz QQFSLEAEGKVCNJ-MWODSPESSA-N 0 0 395.135 3.975 20 10 GHCDRN C[C@@H]([NH2+]CC1(O)Cc2ccccc2C1)c1cc(Br)cc(Cl)c1[O-] ZINC000756595498 1023727783 /nfs/dbraw/zinc/72/77/83/1023727783.db2.gz WCYUGOQTJZGKJY-LLVKDONJSA-N 0 0 396.712 3.989 20 10 GHCDRN C[C@@H](NCc1csc(CNC(=O)c2ccccc2)n1)c1ccc(F)cc1O ZINC000756643557 1023751251 /nfs/dbraw/zinc/75/12/51/1023751251.db2.gz VXEBXRFJWWHFQZ-CYBMUJFWSA-N 0 0 385.464 3.769 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1cc(Br)c(F)cc1[O-] ZINC000756660331 1023760605 /nfs/dbraw/zinc/76/06/05/1023760605.db2.gz VUOJKWJAOZEXCB-WCQYABFASA-N 0 0 399.304 3.736 20 10 GHCDRN CC(=O)c1ccc2c(c1)CCN(C(=O)NCc1ccc(N3CCCC3)cc1)CC2 ZINC000756670418 1023767554 /nfs/dbraw/zinc/76/75/54/1023767554.db2.gz GVSCDWGHSJIXNC-UHFFFAOYSA-N 0 0 391.515 3.800 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)Cc2cc(C)nn2-c2ccccc2)c1 ZINC000756758162 1023802786 /nfs/dbraw/zinc/80/27/86/1023802786.db2.gz FXGBLSYRSNRPPF-RDJZCZTQSA-N 0 0 393.487 3.955 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cc(Br)cc(F)c1[O-] ZINC000756764614 1023805393 /nfs/dbraw/zinc/80/53/93/1023805393.db2.gz JPDFVCJIDNNEQF-YPMHNXCESA-N 0 0 388.277 3.673 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cc(Br)c(F)cc1[O-] ZINC000756764378 1023805461 /nfs/dbraw/zinc/80/54/61/1023805461.db2.gz HYPJFOIAWUAKSW-NEPJUHHUSA-N 0 0 388.277 3.673 20 10 GHCDRN C[C@@H]([NH2+][C@H](CO)CC1CC1)c1cc(Br)cc(Br)c1[O-] ZINC000756770686 1023808905 /nfs/dbraw/zinc/80/89/05/1023808905.db2.gz ZKMICIGAJAHJTK-KCJUWKMLSA-N 0 0 393.119 3.729 20 10 GHCDRN CC[NH+]1CCN(c2ccc(N[C@@H](C)c3cc([N+](=O)[O-])ccc3[O-])c(C)c2)CC1 ZINC000756792919 1023816557 /nfs/dbraw/zinc/81/65/57/1023816557.db2.gz PLZFTTZKYCGBLZ-INIZCTEOSA-N 0 0 384.480 3.924 20 10 GHCDRN C[C@@H](Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1)c1cc(F)cc(F)c1O ZINC000756851799 1023835361 /nfs/dbraw/zinc/83/53/61/1023835361.db2.gz VHQZSMDUGCOAKR-VXGBXAGGSA-N 0 0 387.390 3.635 20 10 GHCDRN COCC(=O)Nc1ccc(N[C@@H](C)c2ccc(Br)cc2O)cc1 ZINC000756862100 1023839371 /nfs/dbraw/zinc/83/93/71/1023839371.db2.gz ACBUCZCCQYDNJO-NSHDSACASA-N 0 0 379.254 3.913 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(C(=O)NC3CC3)cc2)cc1 ZINC000756890490 1023848546 /nfs/dbraw/zinc/84/85/46/1023848546.db2.gz YHQHVNOMAIYLPU-UHFFFAOYSA-N 0 0 379.504 3.697 20 10 GHCDRN CN(C)c1ccc(CNC(=O)C2(CNC(=O)OC(C)(C)C)CCCC2)cc1F ZINC000756919438 1023865940 /nfs/dbraw/zinc/86/59/40/1023865940.db2.gz DCRPHACHLWGQRL-UHFFFAOYSA-N 0 0 393.503 3.593 20 10 GHCDRN CC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000756925009 1023869477 /nfs/dbraw/zinc/86/94/77/1023869477.db2.gz ZHMHMUBZNBVGFT-KDOFPFPSSA-N 0 0 399.457 3.920 20 10 GHCDRN CCOc1cc(C)ccc1CNC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000756968891 1023891356 /nfs/dbraw/zinc/89/13/56/1023891356.db2.gz CQIUPUSCOYPLKK-UHFFFAOYSA-N 0 0 397.519 3.824 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(Cc2cc(O)ccc2O)[C@H](c2cccs2)C1 ZINC001141162523 1023987152 /nfs/dbraw/zinc/98/71/52/1023987152.db2.gz VQPCMSCVHFDYPO-INIZCTEOSA-N 0 0 390.505 3.953 20 10 GHCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ncccc3F)C2)C1 ZINC001138127337 1024174048 /nfs/dbraw/zinc/17/40/48/1024174048.db2.gz XGAZNAPYONOYQE-LJQANCHMSA-N 0 0 395.400 3.803 20 10 GHCDRN CC(C)NC(=O)c1ccccc1OC1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC001138128385 1024177246 /nfs/dbraw/zinc/17/72/46/1024177246.db2.gz GPDBGTHOPLLEAQ-UHFFFAOYSA-N 0 0 386.467 3.713 20 10 GHCDRN Cc1cc(CC(=O)N(C)[C@H]2CCCc3c2cnn3C)c(C)n1-c1ccccc1 ZINC000830862936 1024200783 /nfs/dbraw/zinc/20/07/83/1024200783.db2.gz GYKXQKNIKQVDLV-NRFANRHFSA-N 0 0 376.504 3.906 20 10 GHCDRN COCCOc1ccc(N2CCN(Cc3ccc(N4CCCCC4)o3)CC2)cc1 ZINC001138178532 1024311267 /nfs/dbraw/zinc/31/12/67/1024311267.db2.gz LMEMTDLNZRDRBM-UHFFFAOYSA-N 0 0 399.535 3.617 20 10 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CCN(CC)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)cc1 ZINC001357724537 1067245993 /nfs/dbraw/zinc/24/59/93/1067245993.db2.gz XYWRGEPQVNNVJX-SFHVURJKSA-N 0 0 397.494 3.650 20 10 GHCDRN CCN(Cc1ccccc1)C(=O)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001357794458 1067275080 /nfs/dbraw/zinc/27/50/80/1067275080.db2.gz BTMHAFBZINDPCT-UHFFFAOYSA-N 0 0 389.499 3.873 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1coc2ccc(Cl)cc12 ZINC001357834700 1067296270 /nfs/dbraw/zinc/29/62/70/1067296270.db2.gz AAVIYZSPILBMLG-UHFFFAOYSA-N 0 0 388.826 3.992 20 10 GHCDRN O=C1C=CSC1c1nnc(N2CC[C@H]([C@H]3CCOC3)C2)n1Cc1ccccc1 ZINC001357892837 1067322138 /nfs/dbraw/zinc/32/21/38/1067322138.db2.gz VZFVRIXYFCOMTL-IRXDYDNUSA-N 0 0 396.516 3.623 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N(C)[C@@H](c2ncc[nH]2)c2ccc(F)cc2)cc1F ZINC001477651738 1078508694 /nfs/dbraw/zinc/50/86/94/1078508694.db2.gz GRUCDRZTPLIQAS-LJQANCHMSA-N 0 0 399.445 3.685 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)NC[C@@H](O)c2ccc(C)cc2)CCCC1 ZINC001467530000 1067345622 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GHCDRN C[C@@H](O)[C@](C)(CNC(=O)c1cc2cc(O)c(O)cc2s1)Cc1ccccc1 ZINC001467805011 1067475936 /nfs/dbraw/zinc/47/59/36/1067475936.db2.gz PAJMVFMCKGVIQZ-ASSNKEHSSA-N 0 0 385.485 3.672 20 10 GHCDRN Cc1cc(CNC(=O)NC[C@@H](C)Cn2cccn2)c(C)n1-c1cccc(C)c1 ZINC001468186888 1067625242 /nfs/dbraw/zinc/62/52/42/1067625242.db2.gz NBIIMBTXMXRVJM-QGZVFWFLSA-N 0 0 379.508 3.735 20 10 GHCDRN COC(=O)CCCN1C(=O)/C(=C\c2cc(Cl)c(C)cc2O)SC1=S ZINC000849174349 1067753586 /nfs/dbraw/zinc/75/35/86/1067753586.db2.gz QJDJAFSJWRBFJC-MDWZMJQESA-N 0 0 385.894 3.508 20 10 GHCDRN CO[C@]1(C(F)(F)F)CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC001477823488 1078580248 /nfs/dbraw/zinc/58/02/48/1078580248.db2.gz VUTTXGWMRHBOSD-LJQANCHMSA-N 0 0 399.457 3.786 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCOc1ccc(F)c(F)c1 ZINC001477837639 1078587128 /nfs/dbraw/zinc/58/71/28/1078587128.db2.gz NKHBLLFCFIJLDE-OAHLLOKOSA-N 0 0 391.462 3.648 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)CCc1ccccc1F ZINC000849368247 1067823610 /nfs/dbraw/zinc/82/36/10/1067823610.db2.gz AHYPFXROUQWJSI-UHFFFAOYSA-N 0 0 390.524 3.820 20 10 GHCDRN COc1ccc(N2CCN(C(=O)NCC[C@H]3CCCC[C@@H]3C)CC2)c(OC)c1 ZINC001468820922 1067901145 /nfs/dbraw/zinc/90/11/45/1067901145.db2.gz UGDSGSQZGWEMEI-ZWKOTPCHSA-N 0 0 389.540 3.752 20 10 GHCDRN O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001469104401 1067980049 /nfs/dbraw/zinc/98/00/49/1067980049.db2.gz CCCMKNYTSZYVGR-WCXIOVBPSA-N 0 0 393.478 3.992 20 10 GHCDRN C/C=C\C[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)OCC ZINC000763359368 1068069830 /nfs/dbraw/zinc/06/98/30/1068069830.db2.gz OIZMYFOHOLTFQT-MAVJXHJTSA-N 0 0 375.469 3.573 20 10 GHCDRN COC(=O)[C@]12CN(C(=O)c3sccc3-n3c(C)ccc3C)C[C@H]1CCCC2 ZINC001469633776 1068274031 /nfs/dbraw/zinc/27/40/31/1068274031.db2.gz ABBUUGKTATZZIN-IIBYNOLFSA-N 0 0 386.517 3.961 20 10 GHCDRN COC(=O)c1ccc(OCCNC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 ZINC001360232213 1068419272 /nfs/dbraw/zinc/41/92/72/1068419272.db2.gz ZSABLJHBWNCQMJ-UHFFFAOYSA-N 0 0 392.455 3.690 20 10 GHCDRN C[C@@H](NC(=O)NCc1cccc(Cl)c1O)c1ccc(Br)cn1 ZINC001470033285 1068534448 /nfs/dbraw/zinc/53/44/48/1068534448.db2.gz PUSICPVBMFYJSX-SECBINFHSA-N 0 0 384.661 3.764 20 10 GHCDRN COC(=O)[C@H]1CC(F)(F)CN1C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001470139605 1068592061 /nfs/dbraw/zinc/59/20/61/1068592061.db2.gz JYLQSMBWJBJCNO-MRXNPFEDSA-N 0 0 396.821 3.770 20 10 GHCDRN COc1cc(/C=C/C(=O)NCc2cc(C)ccc2O)cc(Br)c1O ZINC001470255597 1068649305 /nfs/dbraw/zinc/64/93/05/1068649305.db2.gz YPXIGQUHRNONCO-GQCTYLIASA-N 0 0 392.249 3.507 20 10 GHCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccnn1C1CCC1 ZINC001361062785 1068758663 /nfs/dbraw/zinc/75/86/63/1068758663.db2.gz FUHFEWSTNGPWCT-AWEZNQCLSA-N 0 0 390.434 3.608 20 10 GHCDRN CCN(C)c1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(F)F)cc1 ZINC001460193109 1068850099 /nfs/dbraw/zinc/85/00/99/1068850099.db2.gz IQCAISHGQFGLNN-QGZVFWFLSA-N 0 0 383.483 3.829 20 10 GHCDRN Cc1cc(CN2c3ccccc3C[C@H]2CNC(=O)C(F)(F)F)ccc1N(C)C ZINC001460265423 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398.547 3.743 20 10 GHCDRN COC1(C(F)(F)F)CN(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001470968898 1072855774 /nfs/dbraw/zinc/85/57/74/1072855774.db2.gz LZUVQFWMLAFZOE-UHFFFAOYSA-N 0 0 395.425 3.609 20 10 GHCDRN Cc1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC001470971282 1072857927 /nfs/dbraw/zinc/85/79/27/1072857927.db2.gz CGJXSOYHTXENFJ-YOEHRIQHSA-N 0 0 398.507 3.617 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N(C[C@@H]3CCC[C@@H](C)C3)OC)C2)cc1 ZINC001478861385 1079006310 /nfs/dbraw/zinc/00/63/10/1079006310.db2.gz ZYEQSQVGCDLLNO-GUDVDZBRSA-N 0 0 389.540 3.921 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)NCCc2c(F)cc(O)cc2F)cc1 ZINC001471433890 1073071721 /nfs/dbraw/zinc/07/17/21/1073071721.db2.gz PQVUIQWYTJZLLH-UHFFFAOYSA-N 0 0 391.462 3.901 20 10 GHCDRN CO[C@H]1COCC[C@H]1N(C)C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC001471562964 1073136511 /nfs/dbraw/zinc/13/65/11/1073136511.db2.gz BOJWNWMDSFMVDX-MOPGFXCFSA-N 0 0 376.884 3.623 20 10 GHCDRN CO[C@@H]1COCC[C@@H]1N(C)C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC001471562973 1073136569 /nfs/dbraw/zinc/13/65/69/1073136569.db2.gz BOJWNWMDSFMVDX-RBUKOAKNSA-N 0 0 376.884 3.623 20 10 GHCDRN CC(C)Oc1cc(Br)cc(C(=O)NCc2cccc(O)c2O)c1 ZINC001471642067 1073167235 /nfs/dbraw/zinc/16/72/35/1073167235.db2.gz IOAYSPAASQSOHQ-UHFFFAOYSA-N 0 0 380.238 3.578 20 10 GHCDRN Cc1cc(C(=O)NC[C@@H](O)Cc2ccccc2F)c(C)n1-c1cccc(C)c1 ZINC001471896223 1073249417 /nfs/dbraw/zinc/24/94/17/1073249417.db2.gz AMPDDOHIOSYDFN-FQEVSTJZSA-N 0 0 380.463 3.875 20 10 GHCDRN O=C(NCc1c(O)cccc1F)c1cc2ccc(C(F)(F)F)cc2[nH]c1=O ZINC001471975817 1073288574 /nfs/dbraw/zinc/28/85/74/1073288574.db2.gz ILQBHNPCZWSIRT-UHFFFAOYSA-N 0 0 380.297 3.734 20 10 GHCDRN COc1ccc([S@](C)(=O)=NC(=O)c2cc3cc(O)c(O)cc3s2)cc1 ZINC001471989154 1073293336 /nfs/dbraw/zinc/29/33/36/1073293336.db2.gz IAAUGODUYQGDQV-VWLOTQADSA-N 0 0 377.443 3.618 20 10 GHCDRN O=C(NCc1c(O)cccc1O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC001472063726 1073321724 /nfs/dbraw/zinc/32/17/24/1073321724.db2.gz OTSCRZXPTBLORO-UHFFFAOYSA-N 0 0 378.215 3.520 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCOC[C@@H]3C[C@H]3CCCO3)c2C)cc1 ZINC001472153400 1073348819 /nfs/dbraw/zinc/34/88/19/1073348819.db2.gz POFBRTRINBJATB-PZJWPPBQSA-N 0 0 398.503 3.513 20 10 GHCDRN Cc1ccc(N2C[C@@H](C(=O)NCc3cccc(Cl)c3O)CCC2=O)cc1C ZINC001472316912 1073418137 /nfs/dbraw/zinc/41/81/37/1073418137.db2.gz MSUUEADMAFJHGG-INIZCTEOSA-N 0 0 386.879 3.722 20 10 GHCDRN Cc1cc(C(=O)NCc2ncccc2Br)c(C)n1-c1ccccn1 ZINC001472372275 1073451327 /nfs/dbraw/zinc/45/13/27/1073451327.db2.gz AKHZQUWQLLTNJS-UHFFFAOYSA-N 0 0 385.265 3.577 20 10 GHCDRN Cc1cc(CNC(=O)NCCC(=O)N2CCC[C@H](C)C2)c(C)n1-c1ccccc1 ZINC001479102995 1079104463 /nfs/dbraw/zinc/10/44/63/1079104463.db2.gz POEULHDOBCMJBZ-KRWDZBQOSA-N 0 0 396.535 3.542 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2CCCN(CCF)C2)c(C)n1-c1ccc(Cl)cc1 ZINC001472588645 1073562977 /nfs/dbraw/zinc/56/29/77/1073562977.db2.gz DDRNCFNWGWVTPS-QGZVFWFLSA-N 0 0 377.891 3.911 20 10 GHCDRN COc1ccc(N2CC[C@H](CNc3ncc(Br)cc3F)C2)cc1 ZINC001472813488 1073677445 /nfs/dbraw/zinc/67/74/45/1073677445.db2.gz DKYJVAMYALKIMG-GFCCVEGCSA-N 0 0 380.261 3.930 20 10 GHCDRN Cn1ccnc1C(=O)c1ccc(Sc2ncc(Cl)s2)c([N+](=O)[O-])c1 ZINC001472842303 1073689325 /nfs/dbraw/zinc/68/93/25/1073689325.db2.gz YMZRTSVXALNCCF-UHFFFAOYSA-N 0 0 380.838 3.820 20 10 GHCDRN COc1ccc(N(C)C[C@H](O)COc2cc(Cl)cc(Cl)c2)cc1OC ZINC001473133134 1073797798 /nfs/dbraw/zinc/79/77/98/1073797798.db2.gz PPEHGILTKOLVFH-HNNXBMFYSA-N 0 0 386.275 3.887 20 10 GHCDRN COC(=O)c1cc(C(=O)CN2CCCc3cc(OC(F)(F)F)ccc32)c(C)[nH]1 ZINC001473236424 1073879855 /nfs/dbraw/zinc/87/98/55/1073879855.db2.gz NJQIORSAOYWRFL-UHFFFAOYSA-N 0 0 396.365 3.644 20 10 GHCDRN C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N(C)CCC1CC1 ZINC001473286343 1073906993 /nfs/dbraw/zinc/90/69/93/1073906993.db2.gz HXRFTZABRJJOJE-AWEZNQCLSA-N 0 0 376.456 3.521 20 10 GHCDRN CC(=O)c1cc(F)cc(CN2CCCN(c3cccc(F)c3F)CC2)c1O ZINC001473489653 1073987188 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CNC(=O)c1cccc(NC(=O)[C@H](C)Sc2ncc(C(C)(C)C)s2)c1 ZINC000164355533 853913745 /nfs/dbraw/zinc/91/37/45/853913745.db2.gz RFUKGKOFTMVSSQ-NSHDSACASA-N 0 0 377.535 3.920 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3COCc4ccccc43)ccc21 ZINC000571534577 853939549 /nfs/dbraw/zinc/93/95/49/853939549.db2.gz SUQJRPXGSMKREJ-OAQYLSRUSA-N 0 0 378.472 3.906 20 10 GHCDRN Cc1cc(C(=O)N2CCOC(C)(C)C2)c(C)n1-c1ccc(Br)cn1 ZINC000843767008 854282784 /nfs/dbraw/zinc/28/27/84/854282784.db2.gz WHICRODDTZQMFJ-UHFFFAOYSA-N 0 0 392.297 3.503 20 10 GHCDRN [O-]c1c(Br)cccc1C[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000760700423 854365656 /nfs/dbraw/zinc/36/56/56/854365656.db2.gz JDMOVHOWSWKPGW-UHFFFAOYSA-N 0 0 391.187 3.737 20 10 GHCDRN COc1cccc(O)c1C[NH2+]C[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000760699714 854373645 /nfs/dbraw/zinc/37/36/45/854373645.db2.gz DBRIFNVFURZYMG-QFIPXVFZSA-N 0 0 379.456 3.803 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NCCc1ccc(C(C)C)cc1 ZINC000550368196 854381439 /nfs/dbraw/zinc/38/14/39/854381439.db2.gz 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855165510 /nfs/dbraw/zinc/16/55/10/855165510.db2.gz UXIOHFOOAGHAOG-OAQYLSRUSA-N 0 0 381.520 3.807 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC000186429928 855236931 /nfs/dbraw/zinc/23/69/31/855236931.db2.gz ATHGUVHXDPTHFI-LBPRGKRZSA-N 0 0 386.448 3.645 20 10 GHCDRN C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1Br)c1ccc(F)cc1[O-] ZINC000760036413 855314102 /nfs/dbraw/zinc/31/41/02/855314102.db2.gz UVQUUHJYGOHYBY-CHWSQXEVSA-N 0 0 382.273 3.796 20 10 GHCDRN CCCCCC[C@@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000057463558 855403947 /nfs/dbraw/zinc/40/39/47/855403947.db2.gz NQRINAKTBWHFKU-MRXNPFEDSA-N 0 0 379.520 3.945 20 10 GHCDRN CC(=O)c1c(C)[nH]c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1C ZINC000057512230 855435195 /nfs/dbraw/zinc/43/51/95/855435195.db2.gz ZVWJKSPHQQXJMT-HXUWFJFHSA-N 0 0 397.519 3.722 20 10 GHCDRN C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)NCc1cccc(Cl)c1O ZINC000895073776 855464986 /nfs/dbraw/zinc/46/49/86/855464986.db2.gz MBGDTKFXHLNOKM-LBPRGKRZSA-N 0 0 385.892 3.538 20 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CS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(N3CCCCCC3)c2)c1 ZINC000265791117 857147013 /nfs/dbraw/zinc/14/70/13/857147013.db2.gz KAWGVCWHEXAIFK-UHFFFAOYSA-N 0 0 390.480 3.862 20 10 GHCDRN COc1ccc2[nH]cc(CCNC(=O)NCc3ccc(N4CCCC4)cc3)c2c1 ZINC000733341563 862881851 /nfs/dbraw/zinc/88/18/51/862881851.db2.gz AUWYWICYWGZHSR-UHFFFAOYSA-N 0 0 392.503 3.819 20 10 GHCDRN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cnn(CC(F)(F)F)c1 ZINC000477370658 857203046 /nfs/dbraw/zinc/20/30/46/857203046.db2.gz CTZOGOJJLIYXQN-XGICHPGQSA-N 0 0 380.395 3.778 20 10 GHCDRN COc1ccc(N2CCN(C(=O)CNc3ccccc3NC(C)(C)C)CC2)cc1 ZINC000766131365 857370453 /nfs/dbraw/zinc/37/04/53/857370453.db2.gz AQIBDUOMEXSAFA-UHFFFAOYSA-N 0 0 396.535 3.666 20 10 GHCDRN CC(=O)N[C@H](CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000027156776 857557906 /nfs/dbraw/zinc/55/79/06/857557906.db2.gz ZNHDWTMKPSXTGR-HSZRJFAPSA-N 0 0 393.531 3.903 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2[nH]nc3ccc(Br)cc32)c1 ZINC000171870315 862932365 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GHCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(C)c2ncccc12 ZINC000046542965 858080664 /nfs/dbraw/zinc/08/06/64/858080664.db2.gz PDRUQNZLILRNCW-UHFFFAOYSA-N 0 0 383.517 3.820 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000227022216 858379399 /nfs/dbraw/zinc/37/93/99/858379399.db2.gz RZPMJABXQXIZNR-CYBMUJFWSA-N 0 0 385.302 3.644 20 10 GHCDRN CC(=O)N(Cc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1)C(C)C ZINC000281484605 863045350 /nfs/dbraw/zinc/04/53/50/863045350.db2.gz TUMZCXCTIQIUAV-OAHLLOKOSA-N 0 0 399.491 3.607 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 ZINC000729536348 858725163 /nfs/dbraw/zinc/72/51/63/858725163.db2.gz ZDXFZJJSBFMPPR-CQSZACIVSA-N 0 0 377.444 3.955 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CN3C(=O)N[C@@H](c4cccnc4)C3=O)cc2Cl)C1 ZINC000804188820 858731391 /nfs/dbraw/zinc/73/13/91/858731391.db2.gz RMHFRTREBZYZEP-LIRRHRJNSA-N 0 0 398.894 3.764 20 10 GHCDRN Cc1cc(C(=O)Nc2nncs2)c(C)n1-c1cccc(Br)c1 ZINC000059898505 858744501 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Cc1cc([C@H]2CN(C(=O)NCc3ccc(N(C)C)cc3C)CCO2)ccc1F ZINC000764405999 859429460 /nfs/dbraw/zinc/42/94/60/859429460.db2.gz FBIHTBJZSVSTET-OAQYLSRUSA-N 0 0 385.483 3.792 20 10 GHCDRN O=C(NCCCCc1ccccc1)NCc1cccc(Br)c1O ZINC000764756449 859593053 /nfs/dbraw/zinc/59/30/53/859593053.db2.gz DLJNIIPJMVPZDI-UHFFFAOYSA-N 0 0 377.282 3.977 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)N[C@H]1CCc2cc(F)ccc21 ZINC000764765298 859600026 /nfs/dbraw/zinc/60/00/26/859600026.db2.gz BIJCDMKEEOIQBS-HNNXBMFYSA-N 0 0 379.229 3.781 20 10 GHCDRN Cc1ccc(C[C@H](C)NC(=O)NCc2cccc(Br)c2O)s1 ZINC000764781810 859602061 /nfs/dbraw/zinc/60/20/61/859602061.db2.gz CGAFERKPUUVYIR-JTQLQIEISA-N 0 0 383.311 3.955 20 10 GHCDRN C[C@@H](CCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)NC(=O)OC(C)(C)C ZINC000764965522 859712398 /nfs/dbraw/zinc/71/23/98/859712398.db2.gz XWRAPLHCJPLYII-INIZCTEOSA-N 0 0 389.540 3.937 20 10 GHCDRN Cc1cc(C(=O)N(C)CC(C)(C)S(C)(=O)=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000765276209 859880892 /nfs/dbraw/zinc/88/08/92/859880892.db2.gz 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/nfs/dbraw/zinc/03/73/71/883037371.db2.gz ULAHUEJLLASARG-SFHVURJKSA-N 0 0 399.535 3.857 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2cnnc(C)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000786407832 876675027 /nfs/dbraw/zinc/67/50/27/876675027.db2.gz XLLWCGZYWGCJDG-UHFFFAOYSA-N 0 0 377.444 3.849 20 10 GHCDRN Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000786585525 876772929 /nfs/dbraw/zinc/77/29/29/876772929.db2.gz WNUOMCWKBIEYPE-OCCSQVGLSA-N 0 0 382.273 3.856 20 10 GHCDRN CCSc1ccc([C@H](C)NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000804588471 883064763 /nfs/dbraw/zinc/06/47/63/883064763.db2.gz ZJBHURUZMGZNRH-INIZCTEOSA-N 0 0 399.560 3.667 20 10 GHCDRN OC1CCN(c2ccc(CNCc3c(F)cccc3OC(F)(F)F)cc2)CC1 ZINC000850406520 876888568 /nfs/dbraw/zinc/88/85/68/876888568.db2.gz KILGUJXFLBQRRD-UHFFFAOYSA-N 0 0 398.400 3.975 20 10 GHCDRN C[C@@H]1C[C@@H](Nc2ccc(OCCS(C)(=O)=O)cc2)c2c1c(F)ccc2O ZINC000850490163 876968801 /nfs/dbraw/zinc/96/88/01/876968801.db2.gz WEPWNTMUJNYSRU-MLGOLLRUSA-N 0 0 379.453 3.615 20 10 GHCDRN C[C@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1cc(Br)cc(F)c1[O-] ZINC000850532443 877003008 /nfs/dbraw/zinc/00/30/08/877003008.db2.gz LHZWHLDCDDCZDQ-PELMWDNLSA-N 0 0 380.204 3.759 20 10 GHCDRN COc1cc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)ccc1F ZINC000786842322 877006676 /nfs/dbraw/zinc/00/66/76/877006676.db2.gz WHIYIRPJDWLTQA-UHFFFAOYSA-N 0 0 392.496 3.645 20 10 GHCDRN C[C@@H](NC(=O)C(=O)NCc1cccc(Cl)c1Cl)c1ccc(N(C)C)cc1 ZINC000786943148 877068672 /nfs/dbraw/zinc/06/86/72/877068672.db2.gz FUQMFYNXFYJAHT-GFCCVEGCSA-N 0 0 394.302 3.553 20 10 GHCDRN C[C@@]12COC[C@@H]1CN(C(=O)C(=O)Nc1ccc(N=Nc3ccccc3)cc1)C2 ZINC000850656487 877089418 /nfs/dbraw/zinc/08/94/18/877089418.db2.gz DKTGWPSREIBOEX-YCRPNKLZSA-N 0 0 378.432 3.535 20 10 GHCDRN C[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1ccc(N=Nc3ccccc3)cc1)C2 ZINC000850656486 877089839 /nfs/dbraw/zinc/08/98/39/877089839.db2.gz DKTGWPSREIBOEX-VFNWGFHPSA-N 0 0 378.432 3.535 20 10 GHCDRN CCCCNC(=O)Cc1noc(-c2cc(C)n(-c3ccc(OC)cc3)c2C)n1 ZINC000109452079 877098747 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O=C(NCc1ccc(N2CCSCC2)cc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175617201 877374757 /nfs/dbraw/zinc/37/47/57/877374757.db2.gz QOFIDGDFDISJAN-UHFFFAOYSA-N 0 0 391.880 3.731 20 10 GHCDRN CCS[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000175650363 877395059 /nfs/dbraw/zinc/39/50/59/877395059.db2.gz DSCLGMNASLNRPZ-DLBZAZTESA-N 0 0 395.544 3.526 20 10 GHCDRN CN(CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)Cc1ccccc1O ZINC000109770441 877428758 /nfs/dbraw/zinc/42/87/58/877428758.db2.gz GZMHISVXFSXCCQ-UHFFFAOYSA-N 0 0 395.484 3.777 20 10 GHCDRN CC(C)[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)CCS1 ZINC000175676535 877452657 /nfs/dbraw/zinc/45/26/57/877452657.db2.gz YEMQIZZHSJIAND-SFHVURJKSA-N 0 0 379.595 3.523 20 10 GHCDRN O=C(OCCOCC(F)F)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O ZINC000787564300 877483991 /nfs/dbraw/zinc/48/39/91/877483991.db2.gz FRVCEPQKQFIYOR-UHFFFAOYSA-N 0 0 394.757 3.554 20 10 GHCDRN COCC[C@@](C)(O)CNC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000772705897 877601432 /nfs/dbraw/zinc/60/14/32/877601432.db2.gz 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C[C@H](NC(=O)NCCSCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000068479626 878611135 /nfs/dbraw/zinc/61/11/35/878611135.db2.gz MPCZLQQYVPMBII-SFHVURJKSA-N 0 0 399.560 3.817 20 10 GHCDRN CN[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)c1cccc(Cl)c1Cl ZINC000852803060 878613286 /nfs/dbraw/zinc/61/32/86/878613286.db2.gz YYYNZJHRISIVTO-BTDLBPIBSA-N 0 0 383.275 3.846 20 10 GHCDRN COc1cccc(CNC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1O ZINC000068489035 878631220 /nfs/dbraw/zinc/63/12/20/878631220.db2.gz AVBHCQDADCPIFL-UHFFFAOYSA-N 0 0 386.835 3.958 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3cccc(COCC4CC4)c3)CC2)cc1 ZINC000065477542 878652083 /nfs/dbraw/zinc/65/20/83/878652083.db2.gz LRBUNCRCEZFKKE-UHFFFAOYSA-N 0 0 395.503 3.976 20 10 GHCDRN Cc1cccc(OCCCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000068512565 878654600 /nfs/dbraw/zinc/65/46/00/878654600.db2.gz BNAGHTKCPJVQHA-IBGZPJMESA-N 0 0 382.504 3.868 20 10 GHCDRN C[C@H](NC(=O)N[C@@H](C)c1ccc(F)cc1F)c1ccc(N2CCOCC2)cc1 ZINC000068548826 878726182 /nfs/dbraw/zinc/72/61/82/878726182.db2.gz 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ZINC000746803462 878896792 /nfs/dbraw/zinc/89/67/92/878896792.db2.gz YUXJCYTWIYZJCN-UHFFFAOYSA-N 0 0 393.462 3.589 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@H]2c2nccc(C(F)(F)F)n2)cc1 ZINC000853245146 878930002 /nfs/dbraw/zinc/93/00/02/878930002.db2.gz UBIVUUNBJUHCIV-HNNXBMFYSA-N 0 0 393.413 3.608 20 10 GHCDRN CSc1nc(C(C)C)nc(C)c1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000746811993 878932608 /nfs/dbraw/zinc/93/26/08/878932608.db2.gz WBHNSEXZUQCTNS-UHFFFAOYSA-N 0 0 384.549 3.943 20 10 GHCDRN COc1ccc(N2CCN(Cc3c(C4CC4)nc4sccn34)CC2)cc1F ZINC000180705960 879181988 /nfs/dbraw/zinc/18/19/88/879181988.db2.gz SVPXTCRZNFHAAP-UHFFFAOYSA-N 0 0 386.496 3.743 20 10 GHCDRN CC[C@H](C)CN(C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000111472451 879192562 /nfs/dbraw/zinc/19/25/62/879192562.db2.gz LKJBRVWWSIFLLY-AWEZNQCLSA-N 0 0 387.446 3.730 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N3CCOc4ccccc4[C@H]3C)CC2)cc1 ZINC000853643848 879201280 /nfs/dbraw/zinc/20/12/80/879201280.db2.gz RWQAXDZXDMHGLC-QGZVFWFLSA-N 0 0 395.503 3.829 20 10 GHCDRN COc1cc(Br)cc(CN2CCO[C@H](Cc3ccccc3)C2)c1O ZINC000776690791 879226588 /nfs/dbraw/zinc/22/65/88/879226588.db2.gz HQPSEMQTKIBGMD-QGZVFWFLSA-N 0 0 392.293 3.607 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)c1 ZINC000789865948 879324548 /nfs/dbraw/zinc/32/45/48/879324548.db2.gz HUFQPJJJRLXFKW-AATRIKPKSA-N 0 0 385.302 3.634 20 10 GHCDRN CCOc1ccc(O)c(CN2C[C@@H](CCN3CCCC3=O)c3ccccc32)c1 ZINC000180778359 879337471 /nfs/dbraw/zinc/33/74/71/879337471.db2.gz OCLDXOVZQBEVAM-QGZVFWFLSA-N 0 0 380.488 3.907 20 10 GHCDRN CN(C)c1ccc(CNC(=O)c2cc3c(cccc3OC(F)F)[nH]2)cc1F ZINC000746864772 879363729 /nfs/dbraw/zinc/36/37/29/879363729.db2.gz YLSNGDGIVQGIJH-UHFFFAOYSA-N 0 0 377.366 3.904 20 10 GHCDRN CCOc1cccc(CN(C)[C@@H](C(=O)OC)c2cc(F)c(F)c(F)c2)c1O ZINC000093811687 912449856 /nfs/dbraw/zinc/44/98/56/912449856.db2.gz GWIPUYCFVLQCMP-QGZVFWFLSA-N 0 0 383.366 3.554 20 10 GHCDRN COC(=O)c1ccc(C(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)cn1 ZINC000180840511 879404468 /nfs/dbraw/zinc/40/44/68/879404468.db2.gz XVWLPBZMSFDMIL-MRXNPFEDSA-N 0 0 390.439 3.977 20 10 GHCDRN C[C@@H](NC(=O)c1c(F)ccc(O)c1O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000790069790 879413423 /nfs/dbraw/zinc/41/34/23/879413423.db2.gz UMBKUYOYAABVCI-CYBMUJFWSA-N 0 0 394.402 3.980 20 10 GHCDRN C[C@@H](NC(=O)NCCCSc1nccs1)c1ccccc1-n1cccn1 ZINC000152596711 879436100 /nfs/dbraw/zinc/43/61/00/879436100.db2.gz HDIDDTWXHGSVQT-CQSZACIVSA-N 0 0 387.534 3.871 20 10 GHCDRN COC(=O)CCCN1C(=O)/C(=C/c2ccc(OCC3CC3)cc2)SC1=S ZINC000790106565 879441471 /nfs/dbraw/zinc/44/14/71/879441471.db2.gz ONPCQMATERPXHL-WJDWOHSUSA-N 0 0 391.514 3.630 20 10 GHCDRN COc1cccc(/C=C2\SC(=S)N(CCCN(C)c3ccccc3)C2=O)n1 ZINC000790108805 879444144 /nfs/dbraw/zinc/44/41/44/879444144.db2.gz VRFOVEYUMKKDBA-VKAVYKQESA-N 0 0 399.541 3.818 20 10 GHCDRN Cc1c(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)c2ccccc2n1C ZINC000790145676 879481707 /nfs/dbraw/zinc/48/17/07/879481707.db2.gz WCCZZEYGDDDWLY-UHFFFAOYSA-N 0 0 383.517 3.565 20 10 GHCDRN CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000180922092 879498252 /nfs/dbraw/zinc/49/82/52/879498252.db2.gz SQQCMFZAKDLPPM-VGOFRKELSA-N 0 0 381.520 3.603 20 10 GHCDRN COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3ncccn3)c2C)cc1 ZINC000003542556 912472291 /nfs/dbraw/zinc/47/22/91/912472291.db2.gz MYNCROFBUSLSHB-UHFFFAOYSA-N 0 0 381.457 3.646 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)CCC(F)(F)F)cc2Cl)C1 ZINC000790333259 879635830 /nfs/dbraw/zinc/63/58/30/879635830.db2.gz SKWFJDQFLXYOMK-GFCCVEGCSA-N 0 0 398.878 3.948 20 10 GHCDRN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000790409048 879686065 /nfs/dbraw/zinc/68/60/65/879686065.db2.gz LJWYYFMVVPIKGZ-UHFFFAOYSA-N 0 0 391.367 3.533 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccc(OC(F)F)c(F)c3)C2)cc1 ZINC000854301178 879704523 /nfs/dbraw/zinc/70/45/23/879704523.db2.gz JYKHSYBNIHMFDE-CYBMUJFWSA-N 0 0 395.381 3.836 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3ccc(N4CCCC4)c(F)c3)C2)cc1 ZINC000854300891 879704825 /nfs/dbraw/zinc/70/48/25/879704825.db2.gz CQEIJCBMMVIEHR-KRWDZBQOSA-N 0 0 398.482 3.835 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854301698 879706014 /nfs/dbraw/zinc/70/60/14/879706014.db2.gz SJOMOASXIJVXDR-GOSISDBHSA-N 0 0 383.492 3.601 20 10 GHCDRN CCS[C@@H]1CCCCN(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000112137134 879719580 /nfs/dbraw/zinc/71/95/80/879719580.db2.gz WPVUUYJJDYAIRU-HXUWFJFHSA-N 0 0 391.581 3.981 20 10 GHCDRN COC(=O)c1cc2c(NCc3cc(Cl)c4cccnc4c3O)[nH]ccc-2n1 ZINC001168525806 879734440 /nfs/dbraw/zinc/73/44/40/879734440.db2.gz LQRLACFFEQYYKL-UHFFFAOYSA-N 0 0 382.807 3.869 20 10 GHCDRN CC(C)CN(Cc1ccccn1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000914400161 879823683 /nfs/dbraw/zinc/82/36/83/879823683.db2.gz DBQMQXAKCKAVQT-LJQANCHMSA-N 0 0 396.535 3.847 20 10 GHCDRN COc1ccc(/C=C2/SC(=S)N(CCc3ccc(F)cc3)C2=O)cc1O ZINC000790590637 879848562 /nfs/dbraw/zinc/84/85/62/879848562.db2.gz NZUHNIQQZGJOII-GZTJUZNOSA-N 0 0 389.473 3.984 20 10 GHCDRN Cc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)nn1-c1ccc(Cl)cc1 ZINC000538662944 879908224 /nfs/dbraw/zinc/90/82/24/879908224.db2.gz VFIPVLOFGOFBJC-UHFFFAOYSA-N 0 0 396.878 3.939 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 ZINC000790651206 879915949 /nfs/dbraw/zinc/91/59/49/879915949.db2.gz SGLSRLPVBYEWKC-VIFPVBQESA-N 0 0 382.775 3.521 20 10 GHCDRN CN(c1ccc(CNC(=O)NCc2cnc3n2CCCC3)cc1)C1CCCCC1 ZINC000790695036 879930938 /nfs/dbraw/zinc/93/09/38/879930938.db2.gz GANRWLVOGCFQAM-UHFFFAOYSA-N 0 0 395.551 3.988 20 10 GHCDRN CN(c1ccc(CNC(=O)NCc2noc(C3CC3)n2)cc1)C1CCCCC1 ZINC000763488223 879931932 /nfs/dbraw/zinc/93/19/32/879931932.db2.gz WTCZWHIZKJZXKP-UHFFFAOYSA-N 0 0 383.496 3.715 20 10 GHCDRN CC(C)Cc1ccccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000790696611 879932023 /nfs/dbraw/zinc/93/20/23/879932023.db2.gz UPQBGGKXKKBDOV-UHFFFAOYSA-N 0 0 384.495 3.915 20 10 GHCDRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCCN2C(=O)C2=CC(=O)CS2)C1 ZINC000854665244 879989801 /nfs/dbraw/zinc/98/98/01/879989801.db2.gz PUYDTCCHZBRKSM-ZFWWWQNUSA-N 0 0 380.510 3.705 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc([C@@H]3CCCOC3)nn2C)cc1 ZINC000791088844 880172025 /nfs/dbraw/zinc/17/20/25/880172025.db2.gz IXDFJXFLVSXKKH-GOSISDBHSA-N 0 0 378.476 3.974 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cccc(OC)c3OC(C)C)C2)cc1 ZINC000854981420 880195803 /nfs/dbraw/zinc/19/58/03/880195803.db2.gz RJCSRPGLFPZXAU-KRWDZBQOSA-N 0 0 398.503 3.747 20 10 GHCDRN CC[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1ccc2c(c1)OCCO2 ZINC000746981606 880221086 /nfs/dbraw/zinc/22/10/86/880221086.db2.gz ZBTJAJXIJPCGCI-LJQANCHMSA-N 0 0 395.503 3.791 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N3C[C@H](C)O[C@]4(CCO[C@@H]4C)C3)c2C)cc1 ZINC000791153837 880227707 /nfs/dbraw/zinc/22/77/07/880227707.db2.gz ZHNNAXODNKRXQB-PRCFCKQXSA-N 0 0 398.503 3.511 20 10 GHCDRN Cc1cc(C(=O)N2C[C@@H](C)[S@](=O)[C@@H](C)C2)c(C)n1-c1cccc(Cl)c1 ZINC000791182391 880260860 /nfs/dbraw/zinc/26/08/60/880260860.db2.gz NNGONTFJZQKHPY-UXYJLEPLSA-N 0 0 378.925 3.729 20 10 GHCDRN Cc1noc(C)c1CSc1ccccc1C(=O)N1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000791182446 880261768 /nfs/dbraw/zinc/26/17/68/880261768.db2.gz OHEOIMRKZBSVQT-STQMWFEESA-N 0 0 392.546 3.565 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1cccc(OC)c1 ZINC000791245565 880305292 /nfs/dbraw/zinc/30/52/92/880305292.db2.gz BMBXYIYLDSJQTF-UHFFFAOYSA-N 0 0 398.503 3.626 20 10 GHCDRN C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)c1ncccc1F ZINC000791338836 880340324 /nfs/dbraw/zinc/34/03/24/880340324.db2.gz BRKPKTCNWMDDQJ-LPHOPBHVSA-N 0 0 385.483 3.598 20 10 GHCDRN COC[C@@H](CCNC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)OC ZINC000855220919 880366697 /nfs/dbraw/zinc/36/66/97/880366697.db2.gz DXQFPACQLKKCLO-GOSISDBHSA-N 0 0 384.480 3.949 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CSC[C@H]3c3ccccc3)C2)cc1 ZINC000855222831 880367826 /nfs/dbraw/zinc/36/78/26/880367826.db2.gz BAFNFBMEEMATOH-JRGCBEDISA-N 0 0 382.529 3.537 20 10 GHCDRN CCn1ncc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1-c1ccccc1 ZINC000855225417 880370189 /nfs/dbraw/zinc/37/01/89/880370189.db2.gz NBLBAMYFASPBIN-GOSISDBHSA-N 0 0 390.487 3.587 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cc(Br)cs3)C2)cc1 ZINC000855228675 880373244 /nfs/dbraw/zinc/37/32/44/880373244.db2.gz CTIRSRPKCVDINI-GFCCVEGCSA-N 0 0 381.295 3.528 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3cc(F)ccc3Br)C2)cc1 ZINC000855228350 880373585 /nfs/dbraw/zinc/37/35/85/880373585.db2.gz AJKAXAPUDOUPAB-ZDUSSCGKSA-N 0 0 393.256 3.606 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(Br)s3)C2)cc1 ZINC000855229257 880374661 /nfs/dbraw/zinc/37/46/61/880374661.db2.gz LVDFDKYFLPSGSQ-LLVKDONJSA-N 0 0 381.295 3.528 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Cc3c[nH]c4cc(Cl)ccc34)C2)cc1 ZINC000855230627 880375655 /nfs/dbraw/zinc/37/56/55/880375655.db2.gz QNFHOVDBSLNBRJ-INIZCTEOSA-N 0 0 383.879 3.768 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)CCc3ccc(OC)c(Cl)c3)C2)cc1 ZINC000855232395 880376530 /nfs/dbraw/zinc/37/65/30/880376530.db2.gz RCSYSJXTGKOSAZ-INIZCTEOSA-N 0 0 388.895 3.685 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3nc(-c4ccccc4F)oc3C)C2)cc1 ZINC000855232477 880376571 /nfs/dbraw/zinc/37/65/71/880376571.db2.gz UMRGEGBFJBZCEH-HNNXBMFYSA-N 0 0 395.434 3.806 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)C[C@@H](C)Cc3ccccc3OC)C2)cc1 ZINC000855232019 880376727 /nfs/dbraw/zinc/37/67/27/880376727.db2.gz PSEULIWTFDILOE-PKOBYXMFSA-N 0 0 382.504 3.668 20 10 GHCDRN COc1ccc(S[C@H](C)C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000855232501 880376992 /nfs/dbraw/zinc/37/69/92/880376992.db2.gz RGAGDDZSVWEZNC-CVEARBPZSA-N 0 0 386.517 3.580 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Cc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000855234944 880379001 /nfs/dbraw/zinc/37/90/01/880379001.db2.gz RLVYCDGBFAURPG-INIZCTEOSA-N 0 0 378.394 3.652 20 10 GHCDRN Cc1c(Cl)cc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1Cl ZINC000747010090 880385970 /nfs/dbraw/zinc/38/59/70/880385970.db2.gz QKGDHQDFMWALKZ-UHFFFAOYSA-N 0 0 398.265 3.762 20 10 GHCDRN COc1cccc(-c2nc(COC(=O)/C=C/c3ccc(O)c(O)c3)cs2)c1 ZINC000772774146 880421921 /nfs/dbraw/zinc/42/19/21/880421921.db2.gz HAOSZOHWPITODD-SOFGYWHQSA-N 0 0 383.425 3.987 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCC(=O)Nc1ccccc1-c1ccccc1 ZINC000772773775 880443839 /nfs/dbraw/zinc/44/38/39/880443839.db2.gz DVHKMGKRHCZELO-ACCUITESSA-N 0 0 389.407 3.960 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000791593820 880558441 /nfs/dbraw/zinc/55/84/41/880558441.db2.gz MDWKQRQUIKODPB-UHFFFAOYSA-N 0 0 398.507 3.662 20 10 GHCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1cc2nccnc2cc1F ZINC000791629875 880599556 /nfs/dbraw/zinc/59/95/56/880599556.db2.gz ZBONYMZLPHMMDZ-UHFFFAOYSA-N 0 0 384.374 3.731 20 10 GHCDRN COC(=O)[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)[C@H]2CCCC[C@@H]12 ZINC000855642729 880655707 /nfs/dbraw/zinc/65/57/07/880655707.db2.gz KHYSDQZZWUOBAW-NSHGMRRFSA-N 0 0 395.503 3.683 20 10 GHCDRN COCCOCc1cccc(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000776843502 880844245 /nfs/dbraw/zinc/84/42/45/880844245.db2.gz WSYRLWFZWBGKHS-KRWDZBQOSA-N 0 0 388.483 3.998 20 10 GHCDRN CCC[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@H](O)c1ccccc1 ZINC000792105902 880901580 /nfs/dbraw/zinc/90/15/80/880901580.db2.gz VWTNQUXVCZTMJK-FGZHOGPDSA-N 0 0 379.504 3.764 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000792251023 881004358 /nfs/dbraw/zinc/00/43/58/881004358.db2.gz NCNPCPIRFKZGMB-MRXNPFEDSA-N 0 0 392.544 3.587 20 10 GHCDRN Cc1nc2c(F)cccc2cc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856208968 881042334 /nfs/dbraw/zinc/04/23/34/881042334.db2.gz DGJYKXBAOYUFLG-UHFFFAOYSA-N 0 0 393.462 3.573 20 10 GHCDRN Cc1ccc(-c2nc(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)cs2)o1 ZINC000856210283 881043302 /nfs/dbraw/zinc/04/33/02/881043302.db2.gz VUDLXJGSCVOXCU-UHFFFAOYSA-N 0 0 397.500 3.603 20 10 GHCDRN O=C(Cc1c[nH]c2cc(Cl)ccc12)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856210616 881045002 /nfs/dbraw/zinc/04/50/02/881045002.db2.gz JQHMQXISVZKYCI-UHFFFAOYSA-N 0 0 397.906 3.641 20 10 GHCDRN CC(C)COc1ccc(CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000856211370 881045422 /nfs/dbraw/zinc/04/54/22/881045422.db2.gz NQNUVBPLWQBTJO-UHFFFAOYSA-N 0 0 396.531 3.541 20 10 GHCDRN CC(C)(C)c1ncc(/C=C/C(=O)NCc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000856211147 881045981 /nfs/dbraw/zinc/04/59/81/881045981.db2.gz HBFRRMBYKYPLCZ-CMDGGOBGSA-N 0 0 399.560 3.731 20 10 GHCDRN Cc1ccc(C(=O)CCCC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000856212034 881046688 /nfs/dbraw/zinc/04/66/88/881046688.db2.gz FRSGRCCEVQJELS-UHFFFAOYSA-N 0 0 394.515 3.626 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(OC2CCC2)cc1 ZINC000856211641 881046847 /nfs/dbraw/zinc/04/68/47/881046847.db2.gz XTLYIRAJSLANKH-UHFFFAOYSA-N 0 0 380.488 3.509 20 10 GHCDRN O=C(CCCCC(=O)c1ccccc1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856211609 881046978 /nfs/dbraw/zinc/04/69/78/881046978.db2.gz XAIDJSLBYPWSFY-UHFFFAOYSA-N 0 0 394.515 3.707 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000856213035 881047666 /nfs/dbraw/zinc/04/76/66/881047666.db2.gz AUUAHUUWNDUHJI-IAGOWNOFSA-N 0 0 390.936 3.783 20 10 GHCDRN Cc1nc(Cl)c(Cl)cc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856215102 881049043 /nfs/dbraw/zinc/04/90/43/881049043.db2.gz JIZBYQSVFZRZCL-UHFFFAOYSA-N 0 0 394.302 3.588 20 10 GHCDRN Cc1c(C(=O)NCCCSc2nccs2)cnn1-c1ccc(F)cc1 ZINC000114139869 881151131 /nfs/dbraw/zinc/15/11/31/881151131.db2.gz SGRGELGTUXWMGU-UHFFFAOYSA-N 0 0 376.482 3.689 20 10 GHCDRN O=C(Cc1csc(-c2cccnc2)n1)NCCCSc1nccs1 ZINC000114139887 881153350 /nfs/dbraw/zinc/15/33/50/881153350.db2.gz YWEIGWJFFMQHDE-UHFFFAOYSA-N 0 0 376.532 3.503 20 10 GHCDRN Cc1cc(C(=O)N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c(C)n1-c1ccccn1 ZINC000856360986 881172404 /nfs/dbraw/zinc/17/24/04/881172404.db2.gz UFRLGULVRHPBNK-UKRRQHHQSA-N 0 0 381.398 3.671 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2cccc(OCC(F)(F)F)c2)c1 ZINC000103510195 881246872 /nfs/dbraw/zinc/24/68/72/881246872.db2.gz RHJCEBGTBPSRKY-GFCCVEGCSA-N 0 0 398.381 3.902 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cc2cn3ccccc3n2)cc1 ZINC000914456269 883220887 /nfs/dbraw/zinc/22/08/87/883220887.db2.gz UWVPTQHGSGUGBO-UHFFFAOYSA-N 0 0 388.471 3.765 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)c1 ZINC000858592811 883221578 /nfs/dbraw/zinc/22/15/78/883221578.db2.gz LNSVJKIHNYENLI-OAQYLSRUSA-N 0 0 392.459 3.534 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](c3ccccn3)C3CCC3)C2)cc1 ZINC000858600505 883225423 /nfs/dbraw/zinc/22/54/23/883225423.db2.gz WWHBTTWJPWTGIP-LAUBAEHRSA-N 0 0 380.492 3.510 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cc(F)ccc1-n1cccn1 ZINC001129819755 883229848 /nfs/dbraw/zinc/22/98/48/883229848.db2.gz LZBNGZBAIZQQSD-MRXNPFEDSA-N 0 0 380.467 3.747 20 10 GHCDRN COc1ccc(OC(C)(C)C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cc1 ZINC001129820319 883231209 /nfs/dbraw/zinc/23/12/09/883231209.db2.gz UKNANSSYMRRXGE-KRWDZBQOSA-N 0 0 384.520 3.974 20 10 GHCDRN Cc1ccc2occ(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2c1 ZINC000858626317 883242563 /nfs/dbraw/zinc/24/25/63/883242563.db2.gz YEYQJCZZYANJNL-UHFFFAOYSA-N 0 0 382.435 3.576 20 10 GHCDRN COCc1c2ccccc2oc1C(=O)NCc1cc(Br)ccc1O ZINC000804733892 883316033 /nfs/dbraw/zinc/31/60/33/883316033.db2.gz QNPCKTVTMJUBEA-UHFFFAOYSA-N 0 0 390.233 3.977 20 10 GHCDRN O=C(Cc1cc(-c2ccccc2)on1)NCc1cc(Br)ccc1O ZINC000804737502 883319615 /nfs/dbraw/zinc/31/96/15/883319615.db2.gz JQRWFNSGAJFPQW-UHFFFAOYSA-N 0 0 387.233 3.669 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NCC(C)(C)c3ccc(C)cn3)CC2)cc1 ZINC000858761649 883337028 /nfs/dbraw/zinc/33/70/28/883337028.db2.gz FCJXENAPYJQCQI-UHFFFAOYSA-N 0 0 396.535 3.644 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000729037943 883370355 /nfs/dbraw/zinc/37/03/55/883370355.db2.gz UATWWBWZAORTMU-AWEZNQCLSA-N 0 0 383.448 3.520 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@]1(C(=O)OC(C)(C)C)CC1(C)C ZINC001129974811 883398133 /nfs/dbraw/zinc/39/81/33/883398133.db2.gz SFDNXVWZRUFXFQ-MWTRTKDXSA-N 0 0 388.552 3.866 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001129975135 883399650 /nfs/dbraw/zinc/39/96/50/883399650.db2.gz WADGAGCDQXBMCO-AWEZNQCLSA-N 0 0 390.430 3.672 20 10 GHCDRN C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1cc(Br)cc(F)c1[O-] ZINC000184955759 883407533 /nfs/dbraw/zinc/40/75/33/883407533.db2.gz HUZOGTRMSHAIPS-NSHDSACASA-N 0 0 397.292 3.505 20 10 GHCDRN CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3ccc(F)cc3[O-])CC2)cc1 ZINC000185171205 883412888 /nfs/dbraw/zinc/41/28/88/883412888.db2.gz OZNZDBUMZBQLQI-HNNXBMFYSA-N 0 0 386.467 3.885 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H](C)c2cccs2)cc1F ZINC000804851466 883435989 /nfs/dbraw/zinc/43/59/89/883435989.db2.gz CRXCCZXCWPOOJS-AWEZNQCLSA-N 0 0 391.512 3.569 20 10 GHCDRN CCOc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)c(C)c1 ZINC000116403068 883438940 /nfs/dbraw/zinc/43/89/40/883438940.db2.gz ZZUGKTMITZERBB-UHFFFAOYSA-N 0 0 388.533 3.863 20 10 GHCDRN Cc1cc(CNC(=O)N2CCC(c3cn[nH]c3)CC2)c(C)n1-c1ccccc1 ZINC000858905514 883445195 /nfs/dbraw/zinc/44/51/95/883445195.db2.gz BKKNEGASBQSQEH-UHFFFAOYSA-N 0 0 377.492 3.906 20 10 GHCDRN Cc1cc(CNC(=O)N[C@H]2CCc3nc(C)ncc3C2)c(C)n1-c1ccccc1 ZINC000858908636 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COC(=O)C1(CNC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC1 ZINC000777081799 883551565 /nfs/dbraw/zinc/55/15/65/883551565.db2.gz ZGAWBDQQNRNEPO-UHFFFAOYSA-N 0 0 380.448 3.851 20 10 GHCDRN CCC[C@@H](NC(=O)NCc1cc(Br)ccc1O)c1ccccn1 ZINC000805068771 883573501 /nfs/dbraw/zinc/57/35/01/883573501.db2.gz GMRLUASQIAHOEV-OAHLLOKOSA-N 0 0 378.270 3.890 20 10 GHCDRN COc1cccc(CNC(=O)c2cc(Cl)c(-n3cccc3)cc2OC)c1O ZINC000729859733 883595382 /nfs/dbraw/zinc/59/53/82/883595382.db2.gz YNKROLDUTHYNMQ-UHFFFAOYSA-N 0 0 386.835 3.784 20 10 GHCDRN CC[C@H](C)[C@H](C)N(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000175335741 883627750 /nfs/dbraw/zinc/62/77/50/883627750.db2.gz JZAJKIHGFVSJLT-HOTGVXAUSA-N 0 0 377.504 3.771 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000859181549 883642798 /nfs/dbraw/zinc/64/27/98/883642798.db2.gz OXQJUZONZSKBMI-JOCHJYFZSA-N 0 0 390.487 3.509 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCCc2c(C)noc2C)ccc1C ZINC000859267709 883707610 /nfs/dbraw/zinc/70/76/10/883707610.db2.gz ILPSYFFGZAFYLR-UHFFFAOYSA-N 0 0 379.460 3.792 20 10 GHCDRN Cc1cnc([C@@H](C)CNC(=O)NCc2cc(Br)ccc2O)s1 ZINC000805280578 883734048 /nfs/dbraw/zinc/73/40/48/883734048.db2.gz KPFGFMAPDRKJDM-VIFPVBQESA-N 0 0 384.299 3.523 20 10 GHCDRN COC1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CCC(c2ccccc2)CC1 ZINC000805226800 883773802 /nfs/dbraw/zinc/77/38/02/883773802.db2.gz MSUVHKDASORBSW-NTMALXAHSA-N 0 0 381.472 3.970 20 10 GHCDRN CCOC[C@H]1CCCN(C(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)C1 ZINC000859385457 883788133 /nfs/dbraw/zinc/78/81/33/883788133.db2.gz SZTLPDAJIKVFAO-FQEVSTJZSA-N 0 0 382.504 3.724 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(C(F)F)c1F ZINC000859460084 883827800 /nfs/dbraw/zinc/82/78/00/883827800.db2.gz LOAMESXBJJENLZ-UHFFFAOYSA-N 0 0 392.421 3.902 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCCC[C@H]2c2ncon2)ccc1C ZINC000859484551 883844013 /nfs/dbraw/zinc/84/40/13/883844013.db2.gz KOMYKTBRYAVLQZ-IBGZPJMESA-N 0 0 392.459 3.965 20 10 GHCDRN Cc1c(N)cccc1NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000859726718 884015803 /nfs/dbraw/zinc/01/58/03/884015803.db2.gz JYDXULUDBVIKIA-AWEZNQCLSA-N 0 0 390.434 3.969 20 10 GHCDRN C[C@@H](OC1CCCCCC1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000760383561 884026359 /nfs/dbraw/zinc/02/63/59/884026359.db2.gz BUPLOGNCDNXIEJ-QGZVFWFLSA-N 0 0 376.566 3.984 20 10 GHCDRN Cc1cc(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)c(C)n1-c1ccc(F)cc1 ZINC000918618789 884051096 /nfs/dbraw/zinc/05/10/96/884051096.db2.gz XTMCSOIJGAJESE-LJQANCHMSA-N 0 0 382.439 3.861 20 10 GHCDRN CC[C@H](NC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1)C1CCOCC1 ZINC000859787037 884061992 /nfs/dbraw/zinc/06/19/92/884061992.db2.gz RHRMKLPPPHOVDX-QFIPXVFZSA-N 0 0 382.504 3.771 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCc2ccc([C@@H](C)O)cc2)cc1 ZINC000859845241 884118565 /nfs/dbraw/zinc/11/85/65/884118565.db2.gz ULXMSKNEWSDXOA-GOSISDBHSA-N 0 0 390.483 3.819 20 10 GHCDRN CCO[C@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)C(C)C ZINC000760471417 884126020 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O=C(Nc1cnn(-c2ncccn2)c1)N(Cc1ccccc1O)C1CCCCC1 ZINC000174871358 884380972 /nfs/dbraw/zinc/38/09/72/884380972.db2.gz TUMBZPVYSIZLAT-UHFFFAOYSA-N 0 0 392.463 3.735 20 10 GHCDRN O=C(NC1C[C@H]2CC[C@@H](C1)S2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000897703995 884415148 /nfs/dbraw/zinc/41/51/48/884415148.db2.gz TVXSMDMDBOZERA-XFYFCPPXSA-N 0 0 376.522 3.509 20 10 GHCDRN COCCOc1ccc(NC(=O)NCc2cc(Br)ccc2O)cc1 ZINC000806188823 884430030 /nfs/dbraw/zinc/43/00/30/884430030.db2.gz GWHFWKQNFHUMAI-UHFFFAOYSA-N 0 0 395.253 3.502 20 10 GHCDRN Cc1cc(N(C)C)ccc1NC(=O)NCc1cc(Br)ccc1O ZINC000806203358 884444030 /nfs/dbraw/zinc/44/40/30/884444030.db2.gz WKMUBISQTVIHER-UHFFFAOYSA-N 0 0 378.270 3.851 20 10 GHCDRN Cc1cccc2c1C[C@H](C(=O)NCc1ccccc1O)N2C(=O)OC(C)(C)C ZINC000860233364 884460845 /nfs/dbraw/zinc/46/08/45/884460845.db2.gz KLGLTACTUNXONS-GOSISDBHSA-N 0 0 382.460 3.683 20 10 GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@]1(C)CC1(Cl)Cl ZINC000828519015 884530669 /nfs/dbraw/zinc/53/06/69/884530669.db2.gz APNMIARWQFFWPH-OAHLLOKOSA-N 0 0 394.682 3.521 20 10 GHCDRN Cc1noc(C(C)(C)NC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)n1 ZINC000806345955 884603929 /nfs/dbraw/zinc/60/39/29/884603929.db2.gz NDHNLUOAISMRGI-UHFFFAOYSA-N 0 0 381.480 3.563 20 10 GHCDRN O=C1/C(=C\c2ccc(Br)cc2F)SC(=S)N1Cc1ccon1 ZINC000130338776 884604350 /nfs/dbraw/zinc/60/43/50/884604350.db2.gz PPDGPNVKVZEHHJ-LFYBBSHMSA-N 0 0 399.266 3.978 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(N(C)C)nc2)cc1 ZINC000914725703 884618040 /nfs/dbraw/zinc/61/80/40/884618040.db2.gz SIJCUJQWAWXYKF-UHFFFAOYSA-N 0 0 378.476 3.649 20 10 GHCDRN Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccc(N3CCOCC3)c(F)c1)CCC2 ZINC000806457424 884725291 /nfs/dbraw/zinc/72/52/91/884725291.db2.gz LTPOSGHETBZJHJ-NRFANRHFSA-N 0 0 397.494 3.848 20 10 GHCDRN COc1ccc2c(c1)C[C@H](C(=O)N(C)Cc1ccc(N3CCCCC3)cc1)CO2 ZINC000914779167 884742843 /nfs/dbraw/zinc/74/28/43/884742843.db2.gz MFSAZOXEZIVCOE-FQEVSTJZSA-N 0 0 394.515 3.895 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)N[C@H]1CCc2ccccc2C1 ZINC000806660653 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Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@H](CCO)c2ccco2)ccc1C ZINC000860890925 885084559 /nfs/dbraw/zinc/08/45/59/885084559.db2.gz DAXYFYGVGIZUOJ-LJQANCHMSA-N 0 0 380.444 3.662 20 10 GHCDRN CCc1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1Cl ZINC000806921824 885090149 /nfs/dbraw/zinc/09/01/49/885090149.db2.gz VLCSJBYCMNVXLE-UHFFFAOYSA-N 0 0 386.879 3.742 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)NC(=O)Nc2ccccc2)cc1 ZINC000914879808 885099908 /nfs/dbraw/zinc/09/99/08/885099908.db2.gz QVGYPOITYNUVMK-KRWDZBQOSA-N 0 0 382.508 3.701 20 10 GHCDRN C[C@@H](NC(=O)[C@H]1CCCn2cc(C(F)(F)F)nc21)c1ccc(N(C)C)cc1 ZINC000860950323 885115589 /nfs/dbraw/zinc/11/55/89/885115589.db2.gz LWPRXMQWAOVGBY-DOMZBBRYSA-N 0 0 380.414 3.723 20 10 GHCDRN C[C@H]1CCC[C@H](NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 ZINC000806965558 885120404 /nfs/dbraw/zinc/12/04/04/885120404.db2.gz JWYGDVNDGXKADZ-WMZOPIPTSA-N 0 0 384.476 3.599 20 10 GHCDRN O=C(Cn1c2ccccc2nc1-c1cscn1)NCc1cc(Cl)ccc1O ZINC001183913581 912900632 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CCCC(=O)NC1CCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)CC1 ZINC000915704709 887344665 /nfs/dbraw/zinc/34/46/65/887344665.db2.gz YJXRWNPTKYQZBH-UHFFFAOYSA-N 0 0 381.520 3.923 20 10 GHCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(=O)oc3cc([O-])c(Cl)cc23)c1 ZINC000794561683 887387312 /nfs/dbraw/zinc/38/73/12/887387312.db2.gz IOQDHXCQFJLUHT-SNVBAGLBSA-N 0 0 375.808 3.717 20 10 GHCDRN CC(C)N(C)S(=O)(=O)c1ccc(NCc2c(O)ccc(Cl)c2F)cc1 ZINC000863991553 887507674 /nfs/dbraw/zinc/50/76/74/887507674.db2.gz GZKUAKAAYWOGHE-UHFFFAOYSA-N 0 0 386.876 3.826 20 10 GHCDRN CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CCN(C(=O)c2cccc(O)c2O)C1 ZINC000828007109 887521459 /nfs/dbraw/zinc/52/14/59/887521459.db2.gz JGLDMABTZSHKRA-OAQYLSRUSA-N 0 0 392.496 3.501 20 10 GHCDRN COc1ccc(N2CCN(Cc3nc4ccc(F)cc4s3)CC2)cc1F ZINC000763006432 887532382 /nfs/dbraw/zinc/53/23/82/887532382.db2.gz GJRBTSBNNYLPSQ-UHFFFAOYSA-N 0 0 375.444 3.905 20 10 GHCDRN C[C@@H](CS(C)(=O)=O)N(Cc1ccc2c(c1)CCN2Cc1ccccc1)C1CC1 ZINC000809575459 887553705 /nfs/dbraw/zinc/55/37/05/887553705.db2.gz DZVOEOIVLHDSGA-SFHVURJKSA-N 0 0 398.572 3.647 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCCC[C@@H]1c1ccccc1 ZINC000763015354 887553764 /nfs/dbraw/zinc/55/37/64/887553764.db2.gz YRBVTBIWUWBJSD-JOCHJYFZSA-N 0 0 379.504 3.960 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)C2CC2)cc1 ZINC000763066647 887612276 /nfs/dbraw/zinc/61/22/76/887612276.db2.gz XBPJEXHOQHBEIM-GUDVDZBRSA-N 0 0 391.606 3.806 20 10 GHCDRN COc1cc(CN(C)c2ccc3c(c2)OCO3)cc(OC)c1OCC(F)F ZINC000809637481 887641075 /nfs/dbraw/zinc/64/10/75/887641075.db2.gz VOQJWJZXFVECFU-UHFFFAOYSA-N 0 0 381.375 3.713 20 10 GHCDRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000915829063 887648443 /nfs/dbraw/zinc/64/84/43/887648443.db2.gz UMIXCMFLITTYQD-UHFFFAOYSA-N 0 0 380.467 3.553 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Cc3coc4ccc(C)cc34)CC2)c(OC)c1 ZINC001131807078 887657958 /nfs/dbraw/zinc/65/79/58/887657958.db2.gz ZPCUMOOWDQKERU-UHFFFAOYSA-N 0 0 394.471 3.650 20 10 GHCDRN COc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)s1 ZINC000763108684 887677675 /nfs/dbraw/zinc/67/76/75/887677675.db2.gz PYNVKPKOJPBTLJ-NTUHNPAUSA-N 0 0 377.468 3.891 20 10 GHCDRN CC(C)(C)NS(=O)(=O)c1cccc(NCc2cc(Cl)cc(F)c2O)c1 ZINC000809682474 887701714 /nfs/dbraw/zinc/70/17/14/887701714.db2.gz QKDQVWBMZGYGKM-UHFFFAOYSA-N 0 0 386.876 3.874 20 10 GHCDRN CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000809721041 887747284 /nfs/dbraw/zinc/74/72/84/887747284.db2.gz RQCACKBUQMLJPJ-AWEZNQCLSA-N 0 0 385.302 3.644 20 10 GHCDRN Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)nn1C(C)(C)C ZINC000120069167 887779511 /nfs/dbraw/zinc/77/95/11/887779511.db2.gz GHUYBFAJYQCGMM-HXUWFJFHSA-N 0 0 398.551 3.834 20 10 GHCDRN COc1ccc(O)c(CN2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)c1 ZINC000809787041 887841154 /nfs/dbraw/zinc/84/11/54/887841154.db2.gz RLJVUTWKSQLDAG-GOSISDBHSA-N 0 0 383.366 3.873 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)cc1 ZINC000864634990 887897995 /nfs/dbraw/zinc/89/79/95/887897995.db2.gz VXEBAKQLOSCWCJ-IYARVYRRSA-N 0 0 389.540 3.795 20 10 GHCDRN CO[C@H](C)c1nsc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000809928486 887980952 /nfs/dbraw/zinc/98/09/52/887980952.db2.gz KQJPAZZQLPCEGJ-CQSZACIVSA-N 0 0 389.525 3.900 20 10 GHCDRN CC[C@H]1[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)CCN1C(=O)OC(C)(C)C ZINC000809966001 888009187 /nfs/dbraw/zinc/00/91/87/888009187.db2.gz RQTYSIBMQYWBQE-OALUTQOASA-N 0 0 389.540 3.747 20 10 GHCDRN COC(=O)c1ccc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1 ZINC001132011673 888073516 /nfs/dbraw/zinc/07/35/16/888073516.db2.gz UILFQXGCEBOBRC-UHFFFAOYSA-N 0 0 376.456 3.853 20 10 GHCDRN Cc1cc(CNC(=O)c2ncc(Br)cn2)c(C)n1-c1cccc(C)c1 ZINC001132043495 888104230 /nfs/dbraw/zinc/10/42/30/888104230.db2.gz HCRHAFWKPIZJGI-UHFFFAOYSA-N 0 0 399.292 3.885 20 10 GHCDRN Cc1nc([C@H]2CCOC2)sc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000865031167 888147721 /nfs/dbraw/zinc/14/77/21/888147721.db2.gz HZAWTLFQFKSMCU-KRWDZBQOSA-N 0 0 385.533 3.876 20 10 GHCDRN Cn1c2ccc(Cl)cc2nc1/C(Cl)=C\c1cn(C[C@H]2CCCO2)nn1 ZINC000865217505 888250773 /nfs/dbraw/zinc/25/07/73/888250773.db2.gz KIPQWXDYNLMOEE-SJWLEHQBSA-N 0 0 378.263 3.734 20 10 GHCDRN CCn1c2cccc(F)c2nc1/C(Cl)=C/c1cn(C[C@@H]2CCCO2)nn1 ZINC000865219178 888252338 /nfs/dbraw/zinc/25/23/38/888252338.db2.gz VRAPESGREDFHBQ-GFAPJHNFSA-N 0 0 375.835 3.703 20 10 GHCDRN C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1noc(-c2ccccc2)n1 ZINC000135957906 888269969 /nfs/dbraw/zinc/26/99/69/888269969.db2.gz MTCHUYAVLRFGQI-MRXNPFEDSA-N 0 0 389.459 3.673 20 10 GHCDRN O=C(Nc1cccc2c1OCC(=O)N2)N(Cc1ccco1)Cc1ccccc1O ZINC000810257277 888322551 /nfs/dbraw/zinc/32/25/51/888322551.db2.gz JJLUMOUSBNSCKX-UHFFFAOYSA-N 0 0 393.399 3.550 20 10 GHCDRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCN(c2ccccc2F)C1 ZINC000810246426 888347176 /nfs/dbraw/zinc/34/71/76/888347176.db2.gz NZACRXGZJCHELV-LJQANCHMSA-N 0 0 381.495 3.959 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)CSc1nncn1-c1ccc(C)cc1 ZINC000120575329 888372653 /nfs/dbraw/zinc/37/26/53/888372653.db2.gz WSWACHCIVIBOGM-UHFFFAOYSA-N 0 0 396.516 3.812 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(OCC(=O)OCC)cc1 ZINC000763256741 888398955 /nfs/dbraw/zinc/39/89/55/888398955.db2.gz CIYNXBMMUGCWCK-UHFFFAOYSA-N 0 0 386.448 3.778 20 10 GHCDRN C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H](c2ccccc2)O1 ZINC000067603007 888400248 /nfs/dbraw/zinc/40/02/48/888400248.db2.gz LFQRBPFWMPLKGC-PGRDOPGGSA-N 0 0 379.504 3.958 20 10 GHCDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000810317246 888425834 /nfs/dbraw/zinc/42/58/34/888425834.db2.gz LCNAUFYHTDCFOB-UHFFFAOYSA-N 0 0 384.436 3.520 20 10 GHCDRN O=C(NCCCSc1nccs1)c1cc(Cl)ncc1Br ZINC000810397934 888462843 /nfs/dbraw/zinc/46/28/43/888462843.db2.gz CJIVTUFPAQKKKG-UHFFFAOYSA-N 0 0 392.731 3.866 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC[C@H](c2nncn2C)C1 ZINC000195434671 888665407 /nfs/dbraw/zinc/66/54/07/888665407.db2.gz BESLUMHVACUQBM-SFHVURJKSA-N 0 0 377.492 3.551 20 10 GHCDRN COc1cc([N+](=O)[O-])c(N2CC[C@H](c3ccc4cccnc4n3)C2)cc1OC ZINC000866130604 888746467 /nfs/dbraw/zinc/74/64/67/888746467.db2.gz VNYKFSMCQBCBKL-AWEZNQCLSA-N 0 0 380.404 3.549 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)[C@H]3C[C@H]3c3cc(F)ccc3F)CC2)cc1 ZINC000153863198 888747074 /nfs/dbraw/zinc/74/70/74/888747074.db2.gz XYVZRFMXDFVBIH-ICSRJNTNSA-N 0 0 386.442 3.862 20 10 GHCDRN CN1C(=O)c2ccccc2/C(=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1=O ZINC000916141640 888762348 /nfs/dbraw/zinc/76/23/48/888762348.db2.gz NYDYQUILXIPUGS-QGOAFFKASA-N 0 0 391.427 3.738 20 10 GHCDRN COc1ccc(C)cc1CCNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000916195293 888813429 /nfs/dbraw/zinc/81/34/29/888813429.db2.gz PTPNCPUVFAQQKX-UHFFFAOYSA-N 0 0 399.560 3.599 20 10 GHCDRN Cc1cc(CCNC(=O)NC2CCC3(CC2)OCCO3)c(C)n1-c1ccccc1 ZINC000916221174 888840322 /nfs/dbraw/zinc/84/03/22/888840322.db2.gz SKULEUGQCVFSKW-UHFFFAOYSA-N 0 0 397.519 3.622 20 10 GHCDRN Cc1cc(CCNC(=O)NC[C@@H](O)c2ccccc2F)c(C)n1-c1ccccc1 ZINC000916220914 888840335 /nfs/dbraw/zinc/84/03/35/888840335.db2.gz HMBLHCAYOVTRDM-JOCHJYFZSA-N 0 0 395.478 3.809 20 10 GHCDRN CCN(CC)C(=O)CCCNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000916221511 888840633 /nfs/dbraw/zinc/84/06/33/888840633.db2.gz YPSOPLBBKFUEHU-UHFFFAOYSA-N 0 0 398.551 3.584 20 10 GHCDRN CC(=O)N1CCN(c2ccc(N[C@H](C)c3cc(F)cc(F)c3O)cc2)CC1 ZINC000866625284 888974554 /nfs/dbraw/zinc/97/45/54/888974554.db2.gz BFNLRKROONZCJD-CYBMUJFWSA-N 0 0 375.419 3.512 20 10 GHCDRN C[C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)N(C)c1ccccc1 ZINC000916447361 889009245 /nfs/dbraw/zinc/00/92/45/889009245.db2.gz HQHCBGAKGAQKJK-SFHVURJKSA-N 0 0 398.576 3.564 20 10 GHCDRN CN(C)c1ccc(CNc2ccc(-c3cnn(C)c3)nn2)c(C(F)(F)F)c1 ZINC000794951306 889028488 /nfs/dbraw/zinc/02/84/88/889028488.db2.gz CVFVZAMUKSONDU-UHFFFAOYSA-N 0 0 376.386 3.574 20 10 GHCDRN COc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c(OCC(C)C)c1 ZINC000475943363 889043621 /nfs/dbraw/zinc/04/36/21/889043621.db2.gz YMBWQPDEDNDHLC-UHFFFAOYSA-N 0 0 384.476 3.835 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)cc1 ZINC000916502896 889076282 /nfs/dbraw/zinc/07/62/82/889076282.db2.gz AHOOYJXUCVSDLY-QFIPXVFZSA-N 0 0 393.531 3.844 20 10 GHCDRN CC(C)(C)c1cc(CN2CCC[C@@H](S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000763379070 889137180 /nfs/dbraw/zinc/13/71/80/889137180.db2.gz AEHXNFKTYVLKRG-QGZVFWFLSA-N 0 0 381.582 3.996 20 10 GHCDRN C[C@]1(c2ccccc2)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CCO1 ZINC000121818141 889161507 /nfs/dbraw/zinc/16/15/07/889161507.db2.gz YXTBWBJDKHCYKU-HSZRJFAPSA-N 0 0 377.488 3.520 20 10 GHCDRN C[C@@H](NC(=O)NCc1cccc2[nH]ccc21)c1ccc(N2CCOCC2)cc1 ZINC000868148994 889320621 /nfs/dbraw/zinc/32/06/21/889320621.db2.gz QWBQVSJOCDUXON-MRXNPFEDSA-N 0 0 378.476 3.565 20 10 GHCDRN Cc1cc(Br)c(O)c(CN2C[C@@H](C)NC(=O)c3ccccc32)c1 ZINC000811508196 889701134 /nfs/dbraw/zinc/70/11/34/889701134.db2.gz FKFSFQFSTHMLOI-GFCCVEGCSA-N 0 0 375.266 3.602 20 10 GHCDRN CC(C)OCc1cc(NS(=O)(=O)c2ccc(F)c3ncccc23)ccc1O ZINC000811704944 889879645 /nfs/dbraw/zinc/87/96/45/889879645.db2.gz MCRNAJSQCHYZER-UHFFFAOYSA-N 0 0 390.436 3.805 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CCC(F)(F)[C@@H](C)C3)cc2F)C[C@@H](C)O1 ZINC000811864556 890060247 /nfs/dbraw/zinc/06/02/47/890060247.db2.gz CUTVBBZWNCLETM-RRFJBIMHSA-N 0 0 399.457 3.626 20 10 GHCDRN COCC1(CNC(=O)NCc2ccc(N3CCSCC3)cc2)CCCCC1 ZINC000811865343 890060264 /nfs/dbraw/zinc/06/02/64/890060264.db2.gz ZGLLSDUELFHGIE-UHFFFAOYSA-N 0 0 391.581 3.636 20 10 GHCDRN Cc1cnn([C@H]2CCN(C(=O)NCc3ccc(N4CCC(C)CC4)cc3)C2)c1 ZINC000811877270 890081898 /nfs/dbraw/zinc/08/18/98/890081898.db2.gz JTTGXJZTVHSLJN-NRFANRHFSA-N 0 0 381.524 3.584 20 10 GHCDRN C[C@H](NC(=O)N1CC[C@]2(C1)CCc1ccccc1O2)c1ccc(N(C)C)cc1 ZINC000811905298 890108001 /nfs/dbraw/zinc/10/80/01/890108001.db2.gz AQSGBFZLBNMACA-SBUREZEXSA-N 0 0 379.504 3.993 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3ccccc3OC(C)C)CC2)cc1F ZINC000122915844 890193410 /nfs/dbraw/zinc/19/34/10/890193410.db2.gz LAPLATFBHSWCFC-UHFFFAOYSA-N 0 0 387.455 3.976 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CC(C)(C)[C@H]3C3CC3)cc2F)C[C@@H](C)O1 ZINC000812008607 890196355 /nfs/dbraw/zinc/19/63/55/890196355.db2.gz CGGTWMRSGAEVFB-STXHMFSFSA-N 0 0 389.515 3.769 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccccc1CSc1nc[nH]n1 ZINC000171796124 890199738 /nfs/dbraw/zinc/19/97/38/890199738.db2.gz CGTXCJAXWHEZNR-UHFFFAOYSA-N 0 0 393.516 3.627 20 10 GHCDRN Cc1ccc(CS(=O)(=O)NCc2ccc(N3CCC(C)CC3)cc2)c(F)c1 ZINC000795099574 890202101 /nfs/dbraw/zinc/20/21/01/890202101.db2.gz CRWYOLLXFIYDJV-UHFFFAOYSA-N 0 0 390.524 3.990 20 10 GHCDRN COc1ccc(N2CCCN(c3nnc(C)n3CCc3ccccc3)CC2)cc1 ZINC000812058422 890295204 /nfs/dbraw/zinc/29/52/04/890295204.db2.gz DFWDOPMVIBHQPY-UHFFFAOYSA-N 0 0 391.519 3.555 20 10 GHCDRN CN(C)c1ccc(CNc2cccc(CS(=O)(=O)NC(C)(C)C)c2)cc1 ZINC000123170834 890387960 /nfs/dbraw/zinc/38/79/60/890387960.db2.gz YRKKGDGBYMAGHB-UHFFFAOYSA-N 0 0 375.538 3.583 20 10 GHCDRN COc1ccc(N2CCCN(c3nnc(CC(C)C)n3CC(C)C)CC2)cc1 ZINC000812212678 890441041 /nfs/dbraw/zinc/44/10/41/890441041.db2.gz YBUWDGZWFWIFQP-UHFFFAOYSA-N 0 0 385.556 3.858 20 10 GHCDRN COCC[C@@H](NC(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C)C(=O)OC ZINC000812393294 890604764 /nfs/dbraw/zinc/60/47/64/890604764.db2.gz KZWFAILLOZCKNV-HXUWFJFHSA-N 0 0 386.492 3.525 20 10 GHCDRN Cc1ccc(Cl)cc1NC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000123457834 890620700 /nfs/dbraw/zinc/62/07/00/890620700.db2.gz RULQOBYIAIPEIU-SFHVURJKSA-N 0 0 388.895 3.974 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3ccc4[nH]c(C)cc4c3)CC2)cc1F ZINC000123475979 890632620 /nfs/dbraw/zinc/63/26/20/890632620.db2.gz GLJBJVOLIGWBTE-UHFFFAOYSA-N 0 0 382.439 3.978 20 10 GHCDRN O=C([C@H]1CCCN(c2nc3ccccc3s2)C1)N1Cc2cccc(O)c2C1 ZINC000871201187 890692495 /nfs/dbraw/zinc/69/24/95/890692495.db2.gz RKKOQUMHDXCCDX-HNNXBMFYSA-N 0 0 379.485 3.761 20 10 GHCDRN Cc1cc(C(=O)COC(=O)CCc2ncccn2)c(C)n1-c1cc(C)cc(C)c1 ZINC000812604961 890792318 /nfs/dbraw/zinc/79/23/18/890792318.db2.gz ZMKXWKVTHDPPKD-UHFFFAOYSA-N 0 0 391.471 3.860 20 10 GHCDRN Cc1cc(Cn2c(Cc3ccsc3)nnc2N(C)Cc2ccccc2O)no1 ZINC000871513656 890890420 /nfs/dbraw/zinc/89/04/20/890890420.db2.gz YRGPDKCXYJNSSI-UHFFFAOYSA-N 0 0 395.488 3.617 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(F)c(F)cc2Br)c1 ZINC000123687274 890925666 /nfs/dbraw/zinc/92/56/66/890925666.db2.gz BJWMYGJUJUXPPM-QMMMGPOBSA-N 0 0 386.192 3.933 20 10 GHCDRN Cc1ccc([C@@H](O)c2ccccn2)cc1NCc1ccc(N2CCOCC2)cc1 ZINC000812846218 891035840 /nfs/dbraw/zinc/03/58/40/891035840.db2.gz HDGGGHNWSHCUAU-XMMPIXPASA-N 0 0 389.499 3.920 20 10 GHCDRN O=C(NCc1ccccc1O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000812929550 891135068 /nfs/dbraw/zinc/13/50/68/891135068.db2.gz IYAPXHGIBNBUEC-KOMQPUFPSA-N 0 0 375.266 3.900 20 10 GHCDRN O=C(NCc1cccc(NC(=O)C2CCCCC2)c1)c1c(F)ccc(O)c1O ZINC000825574692 891149231 /nfs/dbraw/zinc/14/92/31/891149231.db2.gz ACSVDZIGRXXABD-UHFFFAOYSA-N 0 0 386.423 3.686 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC2(CCC2)C1 ZINC000123988559 891210088 /nfs/dbraw/zinc/21/00/88/891210088.db2.gz ZYLCITNQUFBUNJ-UHFFFAOYSA-N 0 0 379.451 3.842 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)C[C@H]3CSc4ccccc4O3)CC2)cc1 ZINC000825601133 891247391 /nfs/dbraw/zinc/24/73/91/891247391.db2.gz ZWJZUWQGCNAODT-IBGZPJMESA-N 0 0 398.528 3.724 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cnc2[nH]ccc2c1 ZINC000825600456 891253347 /nfs/dbraw/zinc/25/33/47/891253347.db2.gz KBMOUILFKMPKHH-UHFFFAOYSA-N 0 0 386.402 3.515 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)NCc3cccc4ncccc34)C2)cc1 ZINC000873048399 891444467 /nfs/dbraw/zinc/44/44/67/891444467.db2.gz ZUCMZQMNAHTGCF-QGZVFWFLSA-N 0 0 390.487 3.569 20 10 GHCDRN CCOC(=O)[C@@](C)(NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1cccnc1 ZINC000813377401 891562831 /nfs/dbraw/zinc/56/28/31/891562831.db2.gz BCTZKPYZAFAPSJ-QHCPKHFHSA-N 0 0 391.471 3.697 20 10 GHCDRN C[C@H]1CCCC[C@H]1OCCNC(=O)CSc1ncc(-c2ccccc2)n1C ZINC000917192277 891585673 /nfs/dbraw/zinc/58/56/73/891585673.db2.gz HYJMHOQQCRCYTJ-QFBILLFUSA-N 0 0 387.549 3.891 20 10 GHCDRN Cc1csc2nc(CN3CCCc4cc(OC(F)(F)F)ccc43)cc(=O)n12 ZINC000029923190 891671723 /nfs/dbraw/zinc/67/17/23/891671723.db2.gz JPWCNSNALNAUTL-UHFFFAOYSA-N 0 0 395.406 3.916 20 10 GHCDRN Cc1cc(C(=O)OCc2nc(C)no2)c(C)n1-c1cccc(Br)c1 ZINC000917307033 891774579 /nfs/dbraw/zinc/77/45/79/891774579.db2.gz BYXLRERGWZHYPJ-UHFFFAOYSA-N 0 0 390.237 3.905 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnccc1C(F)(F)F ZINC000873869022 891854815 /nfs/dbraw/zinc/85/48/15/891854815.db2.gz DOXZKQZEMRUBER-UHFFFAOYSA-N 0 0 395.381 3.573 20 10 GHCDRN O=C(CN(Cc1ccco1)Cc1ccccc1O)Nc1nc2c(s1)CCC2 ZINC000124727529 891890201 /nfs/dbraw/zinc/89/02/01/891890201.db2.gz UWEGRYOXOGGTSI-UHFFFAOYSA-N 0 0 383.473 3.571 20 10 GHCDRN CCN(CC)c1ncc(/C=C2\SC(=S)N(c3cccnc3)C2=O)s1 ZINC000917400478 891901063 /nfs/dbraw/zinc/90/10/63/891901063.db2.gz WPMOIIBGSCBMSE-JYRVWZFOSA-N 0 0 376.532 3.790 20 10 GHCDRN C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000917385903 891908855 /nfs/dbraw/zinc/90/88/55/891908855.db2.gz ABSJAINFTKIPDQ-KRWDZBQOSA-N 0 0 396.556 3.812 20 10 GHCDRN C[C@H](NC(=O)C(=O)Nc1ccccc1N(C)C1CCCC1)c1ccccc1O ZINC000874191893 892029226 /nfs/dbraw/zinc/02/92/26/892029226.db2.gz APOXHKSCTWZOIT-HNNXBMFYSA-N 0 0 381.476 3.587 20 10 GHCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2coc(C(F)(F)F)n2)cc1 ZINC000874254209 892056439 /nfs/dbraw/zinc/05/64/39/892056439.db2.gz MAUQAPUHVNBZRV-HNNXBMFYSA-N 0 0 397.397 3.581 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000813878614 892058857 /nfs/dbraw/zinc/05/88/57/892058857.db2.gz HYKXXAGMCCIWRM-DYVFJYSZSA-N 0 0 391.468 3.741 20 10 GHCDRN C[C@H](CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)CC(F)F ZINC000825728279 892104788 /nfs/dbraw/zinc/10/47/88/892104788.db2.gz SVUVFRAZBCQFDT-BFHYXJOUSA-N 0 0 387.446 3.530 20 10 GHCDRN CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000825737057 892124099 /nfs/dbraw/zinc/12/40/99/892124099.db2.gz RIPSIDJEPSSNMZ-UONOGXRCSA-N 0 0 380.485 3.614 20 10 GHCDRN O=[N+]([O-])c1cc(CN2C[C@@H](CO)Cc3ccccc32)ccc1N1CCCCC1 ZINC000814169875 892364861 /nfs/dbraw/zinc/36/48/61/892364861.db2.gz OHLRXUWXPCJQBM-SFHVURJKSA-N 0 0 381.476 3.756 20 10 GHCDRN CN(C)c1ccc(CN2CCCC[C@@H]2CCS(C)(=O)=O)c(C(F)(F)F)c1 ZINC000814171061 892366975 /nfs/dbraw/zinc/36/69/75/892366975.db2.gz JJIKTIWJZMRDJZ-OAHLLOKOSA-N 0 0 392.487 3.561 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3cncc4ccccc43)cc2F)C[C@H](C)O1 ZINC000917708018 892438137 /nfs/dbraw/zinc/43/81/37/892438137.db2.gz DZJNSCNEHKJWAE-IYBDPMFKSA-N 0 0 393.462 3.918 20 10 GHCDRN CCOc1cccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 ZINC000917710441 892440875 /nfs/dbraw/zinc/44/08/75/892440875.db2.gz VEZCVCYSIGVSKG-HZPDHXFCSA-N 0 0 386.467 3.768 20 10 GHCDRN COC(=O)c1ccc(/C=C2/SC(=S)N(Cc3cccs3)C2=O)cc1 ZINC000814288868 892496784 /nfs/dbraw/zinc/49/67/84/892496784.db2.gz FGVRFIKIPKYBOQ-NTEUORMPSA-N 0 0 375.496 3.936 20 10 GHCDRN O=C(Cc1c[nH]c2cccc(Cl)c12)NCc1ccc(N2CCOCC2)cc1 ZINC000814311878 892508956 /nfs/dbraw/zinc/50/89/56/892508956.db2.gz LTNXEDLVZPTYIN-UHFFFAOYSA-N 0 0 383.879 3.517 20 10 GHCDRN C[C@H](OCc1ccc(F)cc1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000825777290 892518905 /nfs/dbraw/zinc/51/89/05/892518905.db2.gz SYGODCLQBAWLNO-OXJNMPFZSA-N 0 0 387.451 3.644 20 10 GHCDRN CN(c1ccccc1)c1cc(NCc2ccc(N3CCOCC3)cc2)ncn1 ZINC000814360615 892597698 /nfs/dbraw/zinc/59/76/98/892597698.db2.gz FMSUUVWSUIPVBK-UHFFFAOYSA-N 0 0 375.476 3.693 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCCc2cccc(C(F)(F)F)n2)cc1 ZINC000814362977 892599368 /nfs/dbraw/zinc/59/93/68/892599368.db2.gz FBERXWSPPMCYTK-UHFFFAOYSA-N 0 0 394.441 3.989 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c(Cl)c2ccccc2n1C ZINC000917954437 892865613 /nfs/dbraw/zinc/86/56/13/892865613.db2.gz MDLHHEUZINVXGX-UHFFFAOYSA-N 0 0 397.906 3.941 20 10 GHCDRN COc1cc(N(C)CC(=O)Nc2cccc3ccccc32)cc(OC)c1OC ZINC000125708988 892901619 /nfs/dbraw/zinc/90/16/19/892901619.db2.gz IYSKSMNUXPXLGM-UHFFFAOYSA-N 0 0 380.444 3.941 20 10 GHCDRN COc1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1OC ZINC000918000152 892973324 /nfs/dbraw/zinc/97/33/24/892973324.db2.gz WBVDJSGLEHHSBQ-UHFFFAOYSA-N 0 0 385.508 3.890 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NCCc3cccc(Cl)c3)CC2)cc1 ZINC000918003496 892981647 /nfs/dbraw/zinc/98/16/47/892981647.db2.gz DCZZHNCWXDTOEC-UHFFFAOYSA-N 0 0 387.911 3.813 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)cc1F ZINC000747964509 893008971 /nfs/dbraw/zinc/00/89/71/893008971.db2.gz SQVVDZVVYBHJLT-ZWKOTPCHSA-N 0 0 377.504 3.630 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C2CC2)cc1 ZINC000918052034 893023931 /nfs/dbraw/zinc/02/39/31/893023931.db2.gz JWLCRBJJYFPKSJ-UHFFFAOYSA-N 0 0 378.432 3.947 20 10 GHCDRN COC(=O)COc1ccc(NC(=O)c2sccc2-n2c(C)ccc2C)cc1 ZINC000918048775 893052799 /nfs/dbraw/zinc/05/27/99/893052799.db2.gz ZMHREEAUYMERCJ-UHFFFAOYSA-N 0 0 384.457 3.960 20 10 GHCDRN O=C(NCc1cccc2[nH]ccc21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000876302909 893066107 /nfs/dbraw/zinc/06/61/07/893066107.db2.gz LKKWGJJAAMIBJZ-SFHVURJKSA-N 0 0 379.460 3.764 20 10 GHCDRN Cc1ccc([C@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C)c1 ZINC000918108376 893127938 /nfs/dbraw/zinc/12/79/38/893127938.db2.gz AMUHJAGJSIJKQZ-KRWDZBQOSA-N 0 0 399.510 3.964 20 10 GHCDRN O=C1N=C(SCCN2CCOCC2)S/C1=C\c1csc2ccccc12 ZINC000814773087 893161186 /nfs/dbraw/zinc/16/11/86/893161186.db2.gz MUORDWCZNZAZIJ-WJDWOHSUSA-N 0 0 390.555 3.937 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cccc(-n2nnnc2C)c1 ZINC000918131709 893233319 /nfs/dbraw/zinc/23/33/19/893233319.db2.gz NCDUTGHFUUKMHU-UHFFFAOYSA-N 0 0 378.461 3.692 20 10 GHCDRN O=S(=O)(Cc1ccc(C(F)F)cc1)NCc1ccc(N2CCCC2)cc1 ZINC000814986489 893323828 /nfs/dbraw/zinc/32/38/28/893323828.db2.gz HQNZRKKNYIEIOT-UHFFFAOYSA-N 0 0 380.460 3.844 20 10 GHCDRN Cc1ccc([C@H](C)NC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)o1 ZINC000918187115 893326349 /nfs/dbraw/zinc/32/63/49/893326349.db2.gz VCDCVMZJGAOTQE-XHSDSOJGSA-N 0 0 389.471 3.901 20 10 GHCDRN CCc1ccc(CN(C)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000918217959 893341648 /nfs/dbraw/zinc/34/16/48/893341648.db2.gz OPHJYHJDYPKMII-UHFFFAOYSA-N 0 0 385.483 3.566 20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)NCc3cccc(F)c3)cc2F)C[C@H](C)O1 ZINC000918204258 893354762 /nfs/dbraw/zinc/35/47/62/893354762.db2.gz XLBFZPWWZIWNNV-GJZGRUSLSA-N 0 0 389.446 3.578 20 10 GHCDRN CCn1cnnc1-c1cccc(NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000876846093 893360100 /nfs/dbraw/zinc/36/01/00/893360100.db2.gz MYPUUPVXDDOKLE-UHFFFAOYSA-N 0 0 377.492 3.538 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCN(c3cccc(OC)c3)CC2)cc1 ZINC000918229738 893371811 /nfs/dbraw/zinc/37/18/11/893371811.db2.gz OGGHPDLURCMIAF-UHFFFAOYSA-N 0 0 396.535 3.573 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N(C)Cc2ccc(OC)c(OC)c2)cc1 ZINC000918229976 893372316 /nfs/dbraw/zinc/37/23/16/893372316.db2.gz ZRKUEBUREHDOSC-UHFFFAOYSA-N 0 0 385.508 3.892 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCN(Cc3cccs3)CC2)cc1 ZINC000918229601 893372503 /nfs/dbraw/zinc/37/25/03/893372503.db2.gz JWDAFEHQBADJSI-UHFFFAOYSA-N 0 0 386.565 3.622 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N(C)c3ccc(F)cc3)cc2F)C[C@@H](C)O1 ZINC000918220341 893392112 /nfs/dbraw/zinc/39/21/12/893392112.db2.gz WXJPELUKVRTQOY-HUUCEWRRSA-N 0 0 389.446 3.924 20 10 GHCDRN CC[C@@H](OC1CCCCC1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000126258193 893406213 /nfs/dbraw/zinc/40/62/13/893406213.db2.gz TWKZNGINDKSCPW-JOCHJYFZSA-N 0 0 388.552 3.639 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)C3(c4ccc(N(C)C)cc4)CC3)CC2)cc1 ZINC000815073411 893417222 /nfs/dbraw/zinc/41/72/22/893417222.db2.gz MJJMHIZSGMCQNH-UHFFFAOYSA-N 0 0 393.531 3.532 20 10 GHCDRN CC(C)(C)OC(=O)NC(C)(C)c1cc(CNCc2ccc3c(c2)CCO3)on1 ZINC000876996418 893426594 /nfs/dbraw/zinc/42/65/94/893426594.db2.gz UHBXMMNABUEDMX-UHFFFAOYSA-N 0 0 387.480 3.659 20 10 GHCDRN C[C@@H](NC(=O)COc1ccc(Cl)c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000815114551 893447125 /nfs/dbraw/zinc/44/71/25/893447125.db2.gz ORCZJHRZGRMLJG-CQSZACIVSA-N 0 0 392.858 3.572 20 10 GHCDRN Cc1cc(NCCCSc2nccs2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001185272741 913769460 /nfs/dbraw/zinc/76/94/60/913769460.db2.gz IOLUPPJIWKRDEG-UHFFFAOYSA-N 0 0 387.490 3.833 20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)Cn3ccc4ccccc43)cc2F)C[C@H](C)O1 ZINC000918324770 893492780 /nfs/dbraw/zinc/49/27/80/893492780.db2.gz WWBLYMQNYQZAMU-IRXDYDNUSA-N 0 0 395.478 3.710 20 10 GHCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cc4sccc4s3)cc2)C1 ZINC000918372794 893562353 /nfs/dbraw/zinc/56/23/53/893562353.db2.gz PPAFPKWYICILET-CQSZACIVSA-N 0 0 399.541 3.595 20 10 GHCDRN OC1CCN(c2ccc(CN3CCO[C@H](c4cccc(Cl)c4)C3)cc2)CC1 ZINC000877385628 893586189 /nfs/dbraw/zinc/58/61/89/893586189.db2.gz DFUWFTHEPGYPLV-QFIPXVFZSA-N 0 0 386.923 3.875 20 10 GHCDRN OC1CCN(c2ccc(CN3CCO[C@@H](c4cccc(Cl)c4)C3)cc2)CC1 ZINC000877385627 893586369 /nfs/dbraw/zinc/58/63/69/893586369.db2.gz DFUWFTHEPGYPLV-JOCHJYFZSA-N 0 0 386.923 3.875 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cccc(OCC(F)F)c1 ZINC000126495111 893588007 /nfs/dbraw/zinc/58/80/07/893588007.db2.gz DBZQJOJKBYEYBV-UHFFFAOYSA-N 0 0 387.430 3.706 20 10 GHCDRN CC1(C)CCCC[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000126507743 893591037 /nfs/dbraw/zinc/59/10/37/893591037.db2.gz KOHCDQIYFXKBBY-LJQANCHMSA-N 0 0 377.504 3.555 20 10 GHCDRN CC[C@H](C)NC(=O)c1ccc(NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000877496131 893645554 /nfs/dbraw/zinc/64/55/54/893645554.db2.gz OANPBFFDJZSHGN-KRWDZBQOSA-N 0 0 381.520 3.788 20 10 GHCDRN Cn1nc(Br)cc1/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000778247483 893663299 /nfs/dbraw/zinc/66/32/99/893663299.db2.gz LPHLXBSVNNMGAE-YRNVUSSQSA-N 0 0 380.292 3.588 20 10 GHCDRN CCc1cccc(CC)c1NC(=O)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000918430203 893665511 /nfs/dbraw/zinc/66/55/11/893665511.db2.gz SWWMNCZMUNDHMI-UHFFFAOYSA-N 0 0 381.520 3.913 20 10 GHCDRN Cc1ccccc1N1C(=O)/C(=C\c2cc(Br)nn2C)SC1=S ZINC000778248367 893682350 /nfs/dbraw/zinc/68/23/50/893682350.db2.gz OESPEYJHQZFJPX-KPKJPENVSA-N 0 0 394.319 3.897 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCc2ccc(OC(F)F)cn2)cc1F ZINC000774851084 913794384 /nfs/dbraw/zinc/79/43/84/913794384.db2.gz VOBBNEBSTYJUFU-UHFFFAOYSA-N 0 0 396.413 3.668 20 10 GHCDRN O=C(NCCCCn1ccnc1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000918473921 893773121 /nfs/dbraw/zinc/77/31/21/893773121.db2.gz OKSGKOHSTHNRCN-UHFFFAOYSA-N 0 0 390.447 3.834 20 10 GHCDRN C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N(C)Cc2ccccc2O)cs1 ZINC000934705128 893834456 /nfs/dbraw/zinc/83/44/56/893834456.db2.gz QNQPWMINSLHTLI-LBPRGKRZSA-N 0 0 391.493 3.707 20 10 GHCDRN COc1cnccc1[C@H](C)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000187513633 893917175 /nfs/dbraw/zinc/91/71/75/893917175.db2.gz IRVGZGNVHRCHFG-KRWDZBQOSA-N 0 0 382.508 3.983 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc([C@H]2CCC(=O)N2)cc1 ZINC000877992202 893933702 /nfs/dbraw/zinc/93/37/02/893933702.db2.gz JZHALVZNFAMNNI-JOCHJYFZSA-N 0 0 391.515 3.900 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC(=CC(=O)NCCCSc2nccs2)CC1 ZINC000815591138 894029899 /nfs/dbraw/zinc/02/98/99/894029899.db2.gz YGCCIVVKQIDHQD-UHFFFAOYSA-N 0 0 397.566 3.699 20 10 GHCDRN O=C(NCCCSc1nccs1)C1(Cc2ccc(F)cc2)CCOCC1 ZINC000815591174 894030045 /nfs/dbraw/zinc/03/00/45/894030045.db2.gz ZFARBXXWMIYUNP-UHFFFAOYSA-N 0 0 394.537 3.920 20 10 GHCDRN C[C@@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1cccc(C(F)(F)F)c1O ZINC000815627742 894058239 /nfs/dbraw/zinc/05/82/39/894058239.db2.gz IHDCKELNUIGLKU-CYBMUJFWSA-N 0 0 393.409 3.516 20 10 GHCDRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC000827978454 894084656 /nfs/dbraw/zinc/08/46/56/894084656.db2.gz UFUYEOKXXABGBF-FTRWYGJKSA-N 0 0 380.488 3.569 20 10 GHCDRN Cc1nnsc1CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000815731468 894179902 /nfs/dbraw/zinc/17/99/02/894179902.db2.gz JXTDFTRVFOYFGT-UHFFFAOYSA-N 0 0 380.433 3.517 20 10 GHCDRN C[C@@H](c1ccccc1)N(Cc1cn(C[C@H]2CCOC2)nn1)Cc1ccccc1O ZINC000878325239 894196223 /nfs/dbraw/zinc/19/62/23/894196223.db2.gz IZTHEHUHDZPDGY-RBUKOAKNSA-N 0 0 392.503 3.784 20 10 GHCDRN COc1ccc(OCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)c(C(N)=O)c1 ZINC000748029031 894202663 /nfs/dbraw/zinc/20/26/63/894202663.db2.gz IOTBULIDIGADDD-UHFFFAOYSA-N 0 0 396.418 3.602 20 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COc1ccc([C@H](C)CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000175142941 905460710 /nfs/dbraw/zinc/46/07/10/905460710.db2.gz KJFOVHRJFZQJEE-GOSISDBHSA-N 0 0 382.504 3.684 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc4c(c3)OCCN4C)ccc21 ZINC000773349495 905629095 /nfs/dbraw/zinc/62/90/95/905629095.db2.gz GBPUMFUVZUOFCE-UHFFFAOYSA-N 0 0 393.487 3.985 20 10 GHCDRN CCOC[C@H]1CCN(C(=O)C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000176104564 905754774 /nfs/dbraw/zinc/75/47/74/905754774.db2.gz KQHMQVDHDAKYOI-FTOHGRHOSA-N 0 0 380.448 3.926 20 10 GHCDRN CN(C)c1ccc(Br)cc1-c1noc(-c2nnsc2C2CC2)n1 ZINC001212680371 905798655 /nfs/dbraw/zinc/79/86/55/905798655.db2.gz ASJBOLDHUYLAPC-UHFFFAOYSA-N 0 0 392.282 3.961 20 10 GHCDRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000176285647 905807910 /nfs/dbraw/zinc/80/79/10/905807910.db2.gz RLDIUFZPXZPFSA-PGGUUEOZSA-N 0 0 391.512 3.532 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000176808833 905937915 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CCOc1ncccc1N(c1ccc(N)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC001174456918 907063386 /nfs/dbraw/zinc/06/33/86/907063386.db2.gz QKCZPIURFYEBEE-UHFFFAOYSA-N 0 0 383.473 3.898 20 10 GHCDRN COCCn1cc(Nc2cccc3c2C(=O)c2cccc(Cl)c2C3=O)cn1 ZINC001174552344 907110868 /nfs/dbraw/zinc/11/08/68/907110868.db2.gz HPNLVQUDGHPMKA-UHFFFAOYSA-N 0 0 381.819 3.702 20 10 GHCDRN CC[C@@H]1CC[C@@H](C)N(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001174623112 907120575 /nfs/dbraw/zinc/12/05/75/907120575.db2.gz OJFIYOWIPUAAQX-HZPDHXFCSA-N 0 0 390.483 3.911 20 10 GHCDRN CCO[C@H](C)n1cc(Nc2cccc3c2C(=O)c2cccc(N)c2C3=O)cn1 ZINC001174702944 907165123 /nfs/dbraw/zinc/16/51/23/907165123.db2.gz RCTUJQVVXSMTBI-GFCCVEGCSA-N 0 0 376.416 3.539 20 10 GHCDRN COCc1noc(CSc2ncc(-c3ccccc3)n2CC(F)(F)F)n1 ZINC000182381053 907194863 /nfs/dbraw/zinc/19/48/63/907194863.db2.gz WWUOSJPFDLXERK-UHFFFAOYSA-N 0 0 384.383 3.934 20 10 GHCDRN COc1cc(O)c(CN[C@@H](c2noc(C)n2)c2ccc(Cl)cc2)cc1OC ZINC000182681199 907249660 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C[C@@H](Cc1cc(Br)ccc1F)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779541091 907539078 /nfs/dbraw/zinc/53/90/78/907539078.db2.gz DCLVMHUKEDNAEE-KTROKBFUSA-N 0 0 394.240 3.760 20 10 GHCDRN Cc1c2c[nH]nc2ccc1Nc1c(CC(N)=O)cccc1C(=O)c1ccccc1 ZINC001175468066 907562545 /nfs/dbraw/zinc/56/25/45/907562545.db2.gz LJQNWTQNWZMNOC-UHFFFAOYSA-N 0 0 384.439 3.874 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000779547963 907587852 /nfs/dbraw/zinc/58/78/52/907587852.db2.gz YUKADXWCVPYJPA-ZABGRMTBSA-N 0 0 393.270 3.813 20 10 GHCDRN Nc1ccc(N(c2ccc(N)cc2)c2ccc(C(=O)N3CCOCC3)cc2)cc1 ZINC001175542266 907617441 /nfs/dbraw/zinc/61/74/41/907617441.db2.gz MSIDFEVGLANEMA-UHFFFAOYSA-N 0 0 388.471 3.793 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCCN1c1nccs1 ZINC000192537535 907725316 /nfs/dbraw/zinc/72/53/16/907725316.db2.gz LYCFPLXIVMEEHH-IBGZPJMESA-N 0 0 384.549 3.761 20 10 GHCDRN C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(F)cc1[O-] ZINC000185180711 907727841 /nfs/dbraw/zinc/72/78/41/907727841.db2.gz QCSQNHRWQHMEQK-XHSDSOJGSA-N 0 0 386.467 3.632 20 10 GHCDRN CN(c1ccc2[nH]c3ccccc3c2c1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001175860540 907801520 /nfs/dbraw/zinc/80/15/20/907801520.db2.gz RKXZIOJNZLGATN-UHFFFAOYSA-N 0 0 379.485 3.912 20 10 GHCDRN C[C@H](O)c1cn(C2CN(Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3O)C2)nn1 ZINC000779618442 907934405 /nfs/dbraw/zinc/93/44/05/907934405.db2.gz CPKPLWPVJDLKDG-AWEZNQCLSA-N 0 0 386.540 3.689 20 10 GHCDRN COc1c(Cl)cc(N(C)S(=O)(=O)Cc2ccc(N)cc2)cc1Cl ZINC001176308552 908050639 /nfs/dbraw/zinc/05/06/39/908050639.db2.gz AVLMXBZGPPEBJW-UHFFFAOYSA-N 0 0 375.277 3.550 20 10 GHCDRN C[C@@H](NC(=O)N1CCCN(Cc2ccc(F)cc2)CC1)c1ccc(N(C)C)cc1 ZINC000773611167 908407049 /nfs/dbraw/zinc/40/70/49/908407049.db2.gz HFWVUEUVYSRNMZ-GOSISDBHSA-N 0 0 398.526 3.870 20 10 GHCDRN C[C@H](NC(=O)N(C)Cc1ccn(-c2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000773615550 908419298 /nfs/dbraw/zinc/41/92/98/908419298.db2.gz DXFNOTHWULKATJ-KRWDZBQOSA-N 0 0 377.492 3.841 20 10 GHCDRN COc1cc2c(cc1OC)CN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)CC2 ZINC000773615712 908420596 /nfs/dbraw/zinc/42/05/96/908420596.db2.gz XTOHQPNFOSSTOT-OAHLLOKOSA-N 0 0 383.492 3.599 20 10 GHCDRN CC(C)OC(=O)C[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773613362 908432330 /nfs/dbraw/zinc/43/23/30/908432330.db2.gz VJYLJWMXULCZKY-DLBZAZTESA-N 0 0 375.513 3.577 20 10 GHCDRN C[C@@H](NC(=O)N1CCO[C@@H](CCc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000773619060 908443788 /nfs/dbraw/zinc/44/37/88/908443788.db2.gz QPLYXZTVCJYHHN-GCJKJVERSA-N 0 0 381.520 3.857 20 10 GHCDRN CCN(Cc1ccccc1)c1ccc(C=Cc2nc3c(cnn3C)c(=O)[nH]2)cc1 ZINC000193585828 908540537 /nfs/dbraw/zinc/54/05/37/908540537.db2.gz BBFSMFCSKSCJTO-SDNWHVSQSA-N 0 0 385.471 3.854 20 10 GHCDRN Cc1c(Br)cccc1CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001177362468 908553192 /nfs/dbraw/zinc/55/31/92/908553192.db2.gz LRDSEOSOINHIRQ-SOFGYWHQSA-N 0 0 376.250 3.541 20 10 GHCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1ccc(F)c(F)c1[O-] ZINC000191208151 908595249 /nfs/dbraw/zinc/59/52/49/908595249.db2.gz QZWWKASKOSDJRN-QWHCGFSZSA-N 0 0 390.430 3.740 20 10 GHCDRN C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(F)c(F)c1[O-] ZINC000191219134 908596546 /nfs/dbraw/zinc/59/65/46/908596546.db2.gz YBLXLQQWKPJLFT-SJKOYZFVSA-N 0 0 376.403 3.639 20 10 GHCDRN C[C@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)c1ccc(F)c(F)c1[O-] ZINC000191219236 908597176 /nfs/dbraw/zinc/59/71/76/908597176.db2.gz LFUCOWSZCHJXHZ-CABCVRRESA-N 0 0 376.447 3.742 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)CN2CC=C(c3ccc(Cl)nc3)CC2)cc1 ZINC000773671249 908600981 /nfs/dbraw/zinc/60/09/81/908600981.db2.gz ALZKSIIDZGDJMB-UHFFFAOYSA-N 0 0 398.938 3.549 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCCOc2ccccc21 ZINC000299536114 921423811 /nfs/dbraw/zinc/42/38/11/921423811.db2.gz FZEPSEZAPMRMEG-OAQYLSRUSA-N 0 0 395.503 3.579 20 10 GHCDRN CCOc1ccc([C@H](C)NC(=O)CCC[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC001177986188 908862185 /nfs/dbraw/zinc/86/21/85/908862185.db2.gz WBOJVBGMUATXIN-AWEZNQCLSA-N 0 0 392.446 3.816 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(CN2CCCC2=O)cc1 ZINC000194168061 908863153 /nfs/dbraw/zinc/86/31/53/908863153.db2.gz RARXTJZEXXPCBM-UHFFFAOYSA-N 0 0 392.503 3.731 20 10 GHCDRN Cc1cc(C(=O)NCc2nnc3n2CCCCC3)c(C)n1-c1ccc(Cl)cc1 ZINC000194293934 908871351 /nfs/dbraw/zinc/87/13/51/908871351.db2.gz VKJRNDZBQVOJMA-UHFFFAOYSA-N 0 0 397.910 3.995 20 10 GHCDRN Cc1cc(C(=O)NCc2nnc3n2CCCC3)c(C)n1-c1ccc(Cl)cc1 ZINC000194566314 908894669 /nfs/dbraw/zinc/89/46/69/908894669.db2.gz KQXQDSBXYVNRHI-UHFFFAOYSA-N 0 0 383.883 3.605 20 10 GHCDRN Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cnn1C(C)(C)C ZINC000194698505 908914124 /nfs/dbraw/zinc/91/41/24/908914124.db2.gz VSVNFXGJKMSLNG-FQEVSTJZSA-N 0 0 398.551 3.834 20 10 GHCDRN C[C@@H](Cc1cccc(F)c1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000195184519 908977031 /nfs/dbraw/zinc/97/70/31/908977031.db2.gz AZISEVGPYCIEBL-KRWDZBQOSA-N 0 0 384.495 3.529 20 10 GHCDRN CCc1cnccc1[C@@H](C)NC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000773736972 908996380 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397.567 3.546 20 10 GHCDRN Cc1ccc(S(=O)(=O)N(c2ccc(N)cc2)c2cccc(CCO)c2)cc1 ZINC001203115853 1027772393 /nfs/dbraw/zinc/77/23/93/1027772393.db2.gz MQZQNYLRIKAOGG-UHFFFAOYSA-N 0 0 382.485 3.639 20 10 GHCDRN C[C@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1ccc(Cl)c(Cl)c1[O-] ZINC000840796185 1027830870 /nfs/dbraw/zinc/83/08/70/1027830870.db2.gz DLCQWLQJHNCNLF-FZMZJTMJSA-N 0 0 390.307 3.765 20 10 GHCDRN COc1cc(CN2CCCc3cc(O)c(O)cc3C2)cc(Br)c1O ZINC001204107074 1027878441 /nfs/dbraw/zinc/87/84/41/1027878441.db2.gz SMMMJZMPRYKFKO-UHFFFAOYSA-N 0 0 394.265 3.523 20 10 GHCDRN Nc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 ZINC000841028248 1028054523 /nfs/dbraw/zinc/05/45/23/1028054523.db2.gz NGUBQKBRBUMFBV-MRXNPFEDSA-N 0 0 377.366 3.590 20 10 GHCDRN CC[C@@](CNC(=O)c1cc2cc(O)c(O)cc2s1)(C(=O)OC)c1ccccc1 ZINC001142081170 1028056245 /nfs/dbraw/zinc/05/62/45/1028056245.db2.gz OPGGZRYBTRRUKR-NRFANRHFSA-N 0 0 399.468 3.563 20 10 GHCDRN CCOc1ccc(N(C)S(=O)(=O)Cc2ccc(N)cc2)c(C(F)(F)F)c1 ZINC001213234547 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GHCDRN Cc1cc(C(=O)NC[C@H](O)C2CCC2)c(C)n1-c1ccccc1Br ZINC001142264289 1028523982 /nfs/dbraw/zinc/52/39/82/1028523982.db2.gz MCXJSSVCKMRHMH-SFHVURJKSA-N 0 0 391.309 3.747 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC001214162658 1028575205 /nfs/dbraw/zinc/57/52/05/1028575205.db2.gz HARUQDNKHNPTAQ-UHFFFAOYSA-N 0 0 386.883 3.703 20 10 GHCDRN CCc1nocc1/C=C1/SC(=S)N(CCCN(C)c2ccccc2)C1=O ZINC000841496865 1028698329 /nfs/dbraw/zinc/69/83/29/1028698329.db2.gz TXCVJZNITNCNIU-SFQUDFHCSA-N 0 0 387.530 3.965 20 10 GHCDRN CO[C@@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)CC(C)C ZINC000841588937 1028750192 /nfs/dbraw/zinc/75/01/92/1028750192.db2.gz APFDWLSQUOWWSW-GOSISDBHSA-N 0 0 399.482 3.617 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2cccc([C@@H]3CCC(=O)N3)c2)cc1 ZINC000841762196 1028918748 /nfs/dbraw/zinc/91/87/48/1028918748.db2.gz NKJTWORJHLWVPR-FQEVSTJZSA-N 0 0 380.492 3.806 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000841764770 1028923307 /nfs/dbraw/zinc/92/33/07/1028923307.db2.gz IFHLMIXSFPZIEG-WCBMZHEXSA-N 0 0 383.664 3.798 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000841799221 1028944622 /nfs/dbraw/zinc/94/46/22/1028944622.db2.gz ORRCSPLBQRRDRJ-MRVPVSSYSA-N 0 0 389.761 3.918 20 10 GHCDRN COc1cccc(C[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)C(=O)[O-])c1 ZINC000841820125 1028966475 /nfs/dbraw/zinc/96/64/75/1028966475.db2.gz NHFXYQDLNTZVBN-FQEVSTJZSA-N 0 0 382.504 3.719 20 10 GHCDRN Nc1ccc(CCNC(=O)N[C@H]2CCc3c2ccc(F)c3Br)cc1 ZINC000841915242 1028997210 /nfs/dbraw/zinc/99/72/10/1028997210.db2.gz ZUHJINUNKZMKMH-INIZCTEOSA-N 0 0 392.272 3.700 20 10 GHCDRN COC[C@@H]1CN(Cc2cc(F)c(F)cc2O)Cc2cn(CC3CCCC3)nc21 ZINC001142513158 1029017399 /nfs/dbraw/zinc/01/73/99/1029017399.db2.gz ZPFLHTOHRGWQDF-KRWDZBQOSA-N 0 0 391.462 3.803 20 10 GHCDRN Cc1cc(CNC(=O)Nc2ccnc(C(=O)N(C)C)c2)c(C)n1-c1ccccc1 ZINC001215361100 1029173461 /nfs/dbraw/zinc/17/34/61/1029173461.db2.gz CMBQUWQTCZHBBL-UHFFFAOYSA-N 0 0 391.475 3.513 20 10 GHCDRN Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccc2cccnc2c1O ZINC001142728623 1029352479 /nfs/dbraw/zinc/35/24/79/1029352479.db2.gz YUUCZEJNCJJZCS-UHFFFAOYSA-N 0 0 376.441 3.697 20 10 GHCDRN Cn1cc(C(=O)NCc2ccc3cccnc3c2O)c(-c2cc(F)ccc2F)n1 ZINC001142731349 1029357046 /nfs/dbraw/zinc/35/70/46/1029357046.db2.gz VJRDSJTYGADLGU-UHFFFAOYSA-N 0 0 394.381 3.549 20 10 GHCDRN Clc1ncc(Br)cc1CNCc1ccc(N2CCOCC2)cc1 ZINC000842667523 1029468022 /nfs/dbraw/zinc/46/80/22/1029468022.db2.gz ATVYKHGGGKEYED-UHFFFAOYSA-N 0 0 396.716 3.624 20 10 GHCDRN COc1cc(CO)cc(N(c2ccc(N)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC001216202207 1029564781 /nfs/dbraw/zinc/56/47/81/1029564781.db2.gz RPIOALBVCASGMG-UHFFFAOYSA-N 0 0 398.484 3.605 20 10 GHCDRN O=Cc1ccc(OC(F)(F)C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC001142844268 1029569224 /nfs/dbraw/zinc/56/92/24/1029569224.db2.gz NETRJQDBFOBQME-UHFFFAOYSA-N 0 0 388.414 3.777 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)c3cccc(Cn4ccnc4)c3)C2)cc1 ZINC000842874193 1029652086 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GHCDRN COc1c(Br)c([N+](=O)[O-])c(N2CC[C@@H](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000766443093 1068153499 /nfs/dbraw/zinc/15/34/99/1068153499.db2.gz JFRXAKSRQKOVMB-RKDXNWHRSA-N 0 0 388.218 3.756 20 10 GHCDRN COc1cccc(S(C)(=O)=O)c1NNC(=S)Nc1cccc(C(C)C)c1 ZINC000767425593 1068188103 /nfs/dbraw/zinc/18/81/03/1068188103.db2.gz LDBSAYRTRAYPPB-UHFFFAOYSA-N 0 0 393.534 3.536 20 10 GHCDRN C[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)c1nc(-c2ccccc2)no1 ZINC001469622645 1068266116 /nfs/dbraw/zinc/26/61/16/1068266116.db2.gz WWPBINQDUOLSOA-LBPRGKRZSA-N 0 0 386.839 3.699 20 10 GHCDRN Cc1ccc(C)c(N2CCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)c1 ZINC001469855282 1068431268 /nfs/dbraw/zinc/43/12/68/1068431268.db2.gz YMJDHESULXUOGW-IBGZPJMESA-N 0 0 380.536 3.962 20 10 GHCDRN O=C(NCc1cc(Cl)ccc1O)c1ccsc1NC(=O)c1ccco1 ZINC001469874414 1068442274 /nfs/dbraw/zinc/44/22/74/1068442274.db2.gz NJJHBJUZTVFDBQ-UHFFFAOYSA-N 0 0 376.821 3.882 20 10 GHCDRN CC(C)CCCCNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC001360637731 1068587165 /nfs/dbraw/zinc/58/71/65/1068587165.db2.gz CZUADKLGLFHPNT-UHFFFAOYSA-N 0 0 394.427 3.926 20 10 GHCDRN CC(C)[C@@H](CNC(=O)NCCCSc1nccs1)C(=O)OC(C)(C)C ZINC001478182017 1078755956 /nfs/dbraw/zinc/75/59/56/1078755956.db2.gz MBZHDOKVFFQARW-CYBMUJFWSA-N 0 0 387.571 3.538 20 10 GHCDRN Cn1cc([C@@H](NC(=O)NCc2cccc(Cl)c2O)c2ccc(F)cc2)cn1 ZINC001478474494 1078882827 /nfs/dbraw/zinc/88/28/27/1078882827.db2.gz BTDOOLLDRBTUHB-KRWDZBQOSA-N 0 0 388.830 3.507 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC001478548784 1078913339 /nfs/dbraw/zinc/91/33/39/1078913339.db2.gz QWVRFBHAWODSPC-VQIMIIECSA-N 0 0 389.446 3.607 20 10 GHCDRN C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1O ZINC001478578284 1078923280 /nfs/dbraw/zinc/92/32/80/1078923280.db2.gz SLLRFHPLCIVPIQ-SNVBAGLBSA-N 0 0 383.326 3.880 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCO[C@@](C)(c2ccccc2)C1 ZINC001470556491 1072624198 /nfs/dbraw/zinc/62/41/98/1072624198.db2.gz WJSALLSOGGIMHN-YADARESESA-N 0 0 395.547 3.949 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)NC[C@H]3C[C@H]3Cc3ccccc3)C2)cc1 ZINC001470592245 1072638878 /nfs/dbraw/zinc/63/88/78/1072638878.db2.gz ARZGNRGVAIAZLH-NJDAHSKKSA-N 0 0 393.531 3.700 20 10 GHCDRN C[C@H](NC(=O)NCCCCCCNC(=O)OC(C)(C)C)c1ccccc1O ZINC001470599092 1072642895 /nfs/dbraw/zinc/64/28/95/1072642895.db2.gz GYPWXDNSNUCDHH-HNNXBMFYSA-N 0 0 379.501 3.838 20 10 GHCDRN CC[C@H]1CCCC[C@H]1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001478733873 1078969776 /nfs/dbraw/zinc/96/97/76/1078969776.db2.gz ZFVLCORNZFUJHT-SFTDATJTSA-N 0 0 387.568 3.911 20 10 GHCDRN COc1ccc(CCNC(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)cn1 ZINC001470988638 1072869872 /nfs/dbraw/zinc/86/98/72/1072869872.db2.gz CIIZWUGBXYCTBH-UHFFFAOYSA-N 0 0 392.503 3.848 20 10 GHCDRN CC[C@H](CO)N(Cc1ccccc1)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001478841223 1079000652 /nfs/dbraw/zinc/00/06/52/1079000652.db2.gz RMFZAOXNAKLOEG-DENIHFKCSA-N 0 0 397.563 3.975 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@@H]1c2ccccc2CN1C ZINC001471233657 1072976860 /nfs/dbraw/zinc/97/68/60/1072976860.db2.gz BJAJUZKYXYJQCQ-HSZRJFAPSA-N 0 0 387.483 3.823 20 10 GHCDRN CC[C@@H](C[C@@H](C)O)NC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C ZINC001471294313 1073001746 /nfs/dbraw/zinc/00/17/46/1073001746.db2.gz AGJYBYWRKPOOQU-DOMZBBRYSA-N 0 0 394.313 3.531 20 10 GHCDRN COc1ccc(F)cc1CCNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001471342706 1073030270 /nfs/dbraw/zinc/03/02/70/1073030270.db2.gz SKIFHIWDWRMTDF-UHFFFAOYSA-N 0 0 385.483 3.819 20 10 GHCDRN COc1ccnc(OC)c1NC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001471785818 1073217950 /nfs/dbraw/zinc/21/79/50/1073217950.db2.gz PTKIQFVGECYSEG-UHFFFAOYSA-N 0 0 393.443 3.880 20 10 GHCDRN COC(=O)c1cnc(CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)s1 ZINC001471902614 1073253052 /nfs/dbraw/zinc/25/30/52/1073253052.db2.gz XRWROLBJBOSARM-UHFFFAOYSA-N 0 0 383.473 3.576 20 10 GHCDRN Cc1cc(CC(=O)NC[C@](C)(O)c2cccc(F)c2)c(C)n1-c1ccccc1 ZINC001471948889 1073278092 /nfs/dbraw/zinc/27/80/92/1073278092.db2.gz VPIYNSWZXLVLMF-QHCPKHFHSA-N 0 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ZINC001473377570 1073940320 /nfs/dbraw/zinc/94/03/20/1073940320.db2.gz ZKVQQUIQEPSWRV-KRWDZBQOSA-N 0 0 387.911 3.700 20 10 GHCDRN CCOC(=O)CN(CCCOc1cccc(Cl)c1)Cc1ccccc1O ZINC001473572155 1074022820 /nfs/dbraw/zinc/02/28/20/1074022820.db2.gz BBUGKDNPRMFELT-UHFFFAOYSA-N 0 0 377.868 3.880 20 10 GHCDRN CC(=O)N1CCN(Cc2cccc(NCc3c(C)c4ccccc4n3C)c2)CC1 ZINC001474115700 1074268511 /nfs/dbraw/zinc/26/85/11/1074268511.db2.gz SHRYIPMLHMVBPS-UHFFFAOYSA-N 0 0 390.531 3.763 20 10 GHCDRN O=S(=O)(c1cccc(NCc2cc(Cl)cc(F)c2O)c1)N1CCCC1 ZINC001474166125 1074281459 /nfs/dbraw/zinc/28/14/59/1074281459.db2.gz TXTJZKZSYZLYJY-UHFFFAOYSA-N 0 0 384.860 3.581 20 10 GHCDRN CCN(CC)c1ccc(CNc2cc(C)c(S(N)(=O)=O)cc2C)cc1F ZINC001474264392 1074316485 /nfs/dbraw/zinc/31/64/85/1074316485.db2.gz DPQYNUNEDKBPSM-UHFFFAOYSA-N 0 0 379.501 3.548 20 10 GHCDRN CCOC(=O)C1(C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])CCC1 ZINC001474388307 1074379956 /nfs/dbraw/zinc/37/99/56/1074379956.db2.gz DWMNHSMRMUUYEU-UHFFFAOYSA-N 0 0 376.678 3.631 20 10 GHCDRN Cc1cc(Br)cc(CN2CCN(CC(F)(F)F)CC2(C)C)c1O ZINC001474417531 1074397029 /nfs/dbraw/zinc/39/70/29/1074397029.db2.gz GCMFZLRZPUGQLU-UHFFFAOYSA-N 0 0 395.263 3.922 20 10 GHCDRN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)Cc1c(O)cccc1Br ZINC001474468723 1074420048 /nfs/dbraw/zinc/42/00/48/1074420048.db2.gz FREYYWKUANCTTN-AWEZNQCLSA-N 0 0 391.309 3.806 20 10 GHCDRN CC(C)c1ccc(O)c(CN2CCn3c(CCc4ccccc4)nnc3C2)c1 ZINC001474685927 1074514324 /nfs/dbraw/zinc/51/43/24/1074514324.db2.gz GWILJSLFORPFFA-UHFFFAOYSA-N 0 0 376.504 3.908 20 10 GHCDRN C[C@H]1CCCN1c1nnc(-c2cccnc2)n1CCCSc1nccs1 ZINC001493820040 1079300189 /nfs/dbraw/zinc/30/01/89/1079300189.db2.gz PLOKLEOYOLYKTF-AWEZNQCLSA-N 0 0 386.550 3.968 20 10 GHCDRN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCc1cccc(Cl)c1O ZINC001475774846 1075018872 /nfs/dbraw/zinc/01/88/72/1075018872.db2.gz SEODLGZGUJTOTP-UHFFFAOYSA-N 0 0 379.787 3.851 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1cccnc1Br ZINC001476268993 1075113435 /nfs/dbraw/zinc/11/34/35/1075113435.db2.gz XUTHUKIZLYOZMW-CYBMUJFWSA-N 0 0 391.313 3.971 20 10 GHCDRN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 ZINC001546209908 1075127339 /nfs/dbraw/zinc/12/73/39/1075127339.db2.gz BCGHMTCJRJUOTG-UHFFFAOYSA-N 0 0 397.818 3.580 20 10 GHCDRN Cc1cccc(C[C@H](CO)[NH2+]Cc2cc(Cl)cc(Br)c2[O-])c1 ZINC001560441033 1126210657 /nfs/dbraw/zinc/21/06/57/1126210657.db2.gz OBWZLGSNNBGZPZ-OAHLLOKOSA-N 0 0 384.701 3.810 20 10 GHCDRN Cc1ccc(CNC(=O)c2cc(C)n(-c3ccc(-c4nn[nH]n4)cc3)c2C)s1 ZINC000737343335 598611029 /nfs/dbraw/zinc/61/10/29/598611029.db2.gz VHPYOSNJECUJQF-UHFFFAOYSA-N 0 0 392.488 3.574 20 10 GHCDRN Cc1cc(C(=O)N2CCc3ccc(C)cc32)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737376540 598612375 /nfs/dbraw/zinc/61/23/75/598612375.db2.gz HTMZVXZXLXWRQF-UHFFFAOYSA-N 0 0 398.470 3.786 20 10 GHCDRN Clc1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)c(-c2nn[nH]n2)c1 ZINC000737578260 598792380 /nfs/dbraw/zinc/79/23/80/598792380.db2.gz ZLOZFBAALWGXSK-UHFFFAOYSA-N 0 0 377.839 3.690 20 10 GHCDRN Cc1cc(C)c(-c2nn[nH]n2)c(N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000822192007 599320538 /nfs/dbraw/zinc/32/05/38/599320538.db2.gz WRCGCDYDAWXJML-UHFFFAOYSA-N 0 0 377.496 3.505 20 10 GHCDRN c1[nH]c2ncccc2c1C1=CCN(c2cc(-c3nn[nH]n3)c3ccccc3n2)CC1 ZINC000735399151 599401768 /nfs/dbraw/zinc/40/17/68/599401768.db2.gz IZIVNPOEMSJSHQ-UHFFFAOYSA-N 0 0 394.442 3.585 20 10 GHCDRN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCO[C@H](c3ccccc3F)C2)c1O ZINC000740095639 600125294 /nfs/dbraw/zinc/12/52/94/600125294.db2.gz CYWSSIQIAQXFFV-FQEVSTJZSA-N 0 0 381.403 3.956 20 10 GHCDRN O=C([O-])[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(F)cc1 ZINC000739506319 600433527 /nfs/dbraw/zinc/43/35/27/600433527.db2.gz FKSZLSJMJOAERD-GOSISDBHSA-N 0 0 394.393 3.811 20 10 GHCDRN O=C([O-])[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1F ZINC000833167287 600747198 /nfs/dbraw/zinc/74/71/98/600747198.db2.gz MASNQIOEOAKEMB-SFHVURJKSA-N 0 0 394.393 3.811 20 10 GHCDRN C[C@@H]1CCCC[C@@H]1N1C(=O)C(=Cc2ccc(-c3nn[nH]n3)s2)SC1=S ZINC000820705258 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3.796 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)NCC1([C@H](O)c2ccccc2)CC1 ZINC000178971210 834982638 /nfs/dbraw/zinc/98/26/38/834982638.db2.gz UBGXJCBLDPDNQL-OAQYLSRUSA-N 0 0 379.504 3.600 20 10 GHCDRN CC(=O)c1cc(Cl)cc(CN(C)Cc2ccccc2N2CCOCC2)c1O ZINC000176992235 835435943 /nfs/dbraw/zinc/43/59/43/835435943.db2.gz WGGQSSLNTXZRAD-UHFFFAOYSA-N 0 0 388.895 3.717 20 10 GHCDRN CN(C)c1ccc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1F ZINC000728585217 835655301 /nfs/dbraw/zinc/65/53/01/835655301.db2.gz QCDLDQWMPYWPEY-UHFFFAOYSA-N 0 0 394.365 3.528 20 10 GHCDRN COc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1OC(F)F ZINC000052807192 835661011 /nfs/dbraw/zinc/66/10/11/835661011.db2.gz GLMWVHCJQODCOE-UHFFFAOYSA-N 0 0 376.403 3.827 20 10 GHCDRN CC(C)[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1nc(C2CC2)no1 ZINC000154628626 835822569 /nfs/dbraw/zinc/82/25/69/835822569.db2.gz FUXQEQZGADRLHV-GOSISDBHSA-N 0 0 381.480 3.520 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)/C=C(\C)c3cccc(OC)c3)CC2)cc1 ZINC000177091074 835829898 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C[C@@H]1CCCN(c2ccc(CNC(=O)CSc3nncs3)cc2Cl)C1 ZINC000282527190 858832353 /nfs/dbraw/zinc/83/23/53/858832353.db2.gz CEJOSKIUBMIBBX-GFCCVEGCSA-N 0 0 396.969 3.836 20 10 GHCDRN O=C(CNc1ccc(OC(F)(F)C(F)(F)F)cc1)c1ccc(O)c(O)c1 ZINC001170322673 881358787 /nfs/dbraw/zinc/35/87/87/881358787.db2.gz LICDRIVVPBJHLD-UHFFFAOYSA-N 0 0 377.265 3.927 20 10 GHCDRN O=C(NCc1cc(NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)ccc1O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000923119314 859037506 /nfs/dbraw/zinc/03/75/06/859037506.db2.gz NNDHCHWUWYFOCS-JNYDFHNISA-N 0 0 382.504 3.819 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1cccnc1N1CCCCC1 ZINC000132509001 859072385 /nfs/dbraw/zinc/07/23/85/859072385.db2.gz RBGKNOGCAMVJPB-UHFFFAOYSA-N 0 0 396.560 3.555 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000103528995 881384009 /nfs/dbraw/zinc/38/40/09/881384009.db2.gz ZCUDVGDCHADCHB-LLVKDONJSA-N 0 0 399.428 3.924 20 10 GHCDRN COc1ccc([C@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1C ZINC000923338223 859235247 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ZINC000105649499 875354903 /nfs/dbraw/zinc/35/49/03/875354903.db2.gz BJVCJSJKFAWHJB-UHFFFAOYSA-N 0 0 391.349 3.535 20 10 GHCDRN COc1cccc(CNC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)c1O ZINC000105650966 875356079 /nfs/dbraw/zinc/35/60/79/875356079.db2.gz FTBINKBIDFUGQN-GJZGRUSLSA-N 0 0 376.250 3.583 20 10 GHCDRN O=S(=O)(c1ccc(N(Cc2ccccc2O)C[C@H]2CCCO2)cc1)C(F)F ZINC000771670643 875370324 /nfs/dbraw/zinc/37/03/24/875370324.db2.gz SHNNFQOUUUEUFR-MRXNPFEDSA-N 0 0 397.443 3.574 20 10 GHCDRN FC(F)(F)c1cccnc1CNC(=S)Nc1ccc(-n2cccn2)cc1 ZINC001200889094 875385281 /nfs/dbraw/zinc/38/52/81/875385281.db2.gz OQXJHCQWJOALGG-UHFFFAOYSA-N 0 0 377.395 3.773 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000858200978 882933624 /nfs/dbraw/zinc/93/36/24/882933624.db2.gz FPNLBYFYCKVTQF-FCHUYYIVSA-N 0 0 382.479 3.815 20 10 GHCDRN Cc1cc(NC(=S)NCc2cc(OC3CCOCC3)ccn2)ccc1F ZINC001201048387 875490703 /nfs/dbraw/zinc/49/07/03/875490703.db2.gz CMBPLJPYQPXJQN-UHFFFAOYSA-N 0 0 375.469 3.574 20 10 GHCDRN Cc1cc(C)c2c(N)c(C(=O)OC[C@@H]3CN(c4ccccc4)C(=O)O3)sc2n1 ZINC000771946512 875567042 /nfs/dbraw/zinc/56/70/42/875567042.db2.gz KDGAKBOEKOFFGP-AWEZNQCLSA-N 0 0 397.456 3.678 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NCC3(Cc4ccccc4)CC3)CC2)cc1 ZINC000772036637 875625291 /nfs/dbraw/zinc/62/52/91/875625291.db2.gz BDENLLDESKTGTJ-UHFFFAOYSA-N 0 0 393.531 3.940 20 10 GHCDRN O=C(NCCC[NH2+]Cc1cccc(Cl)c1[O-])c1ccc(Br)cc1 ZINC000776154226 875627539 /nfs/dbraw/zinc/62/75/39/875627539.db2.gz QGLJHAGCQLBUEI-UHFFFAOYSA-N 0 0 397.700 3.718 20 10 GHCDRN CC(C)c1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cn1 ZINC000772056289 875637419 /nfs/dbraw/zinc/63/74/19/875637419.db2.gz HLIDMCNOJGNSOO-HOTGVXAUSA-N 0 0 385.483 3.888 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC001201557437 875751541 /nfs/dbraw/zinc/75/15/41/875751541.db2.gz IFUBBGKGABSZIN-UHFFFAOYSA-N 0 0 392.228 3.676 20 10 GHCDRN O=S(=O)(Nc1cc(F)c(O)c(F)c1)c1ccc(Oc2ccncc2)cc1 ZINC001201619546 875794374 /nfs/dbraw/zinc/79/43/74/875794374.db2.gz PWRGDOHSDMZHRN-UHFFFAOYSA-N 0 0 378.356 3.659 20 10 GHCDRN CO[C@@H](C[NH2+]Cc1cc(Br)cc(Br)c1[O-])C(C)C ZINC000776219225 875904962 /nfs/dbraw/zinc/90/49/62/875904962.db2.gz DDIIMIIEQWBQQH-LBPRGKRZSA-N 0 0 381.108 3.678 20 10 GHCDRN CN1CCN(c2ccc(CNc3cc4c(cc3Cl)OCO4)cc2F)CC1 ZINC001201872088 875918397 /nfs/dbraw/zinc/91/83/97/875918397.db2.gz DMLGKMUKVZNWKF-UHFFFAOYSA-N 0 0 377.847 3.572 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1Cc2ccccc2C1 ZINC000106337952 875972313 /nfs/dbraw/zinc/97/23/13/875972313.db2.gz XTXCXPOHEHESIY-UHFFFAOYSA-N 0 0 387.430 3.982 20 10 GHCDRN Cc1cc(Br)cc(CN[C@H](C)c2cn(-c3ccccc3)nn2)c1O ZINC000776233450 875993537 /nfs/dbraw/zinc/99/35/37/875993537.db2.gz BDIYEFATKGPWPS-CYBMUJFWSA-N 0 0 387.281 3.895 20 10 GHCDRN CC[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@H](O)c1c(F)cccc1F ZINC000776239586 875997826 /nfs/dbraw/zinc/99/78/26/875997826.db2.gz PYDLITXIMJTUIT-MJWYBRSISA-N 0 0 391.462 3.903 20 10 GHCDRN CC[C@@H](C)[C@@H](NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1)C(F)(F)F ZINC000772535501 876001136 /nfs/dbraw/zinc/00/11/36/876001136.db2.gz DUWBXPVXTHIQSM-MLGOLLRUSA-N 0 0 391.409 3.643 20 10 GHCDRN COc1cc(C)c(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1C ZINC000772628315 876040451 /nfs/dbraw/zinc/04/04/51/876040451.db2.gz ZKLYSCOITAMRKB-UHFFFAOYSA-N 0 0 387.455 3.814 20 10 GHCDRN Cc1ccc(Cn2cccc(NC(=O)N(C)Cc3ccccc3O)c2=O)cc1 ZINC000151900847 876084854 /nfs/dbraw/zinc/08/48/54/876084854.db2.gz WQLGNIMEFMCXKX-UHFFFAOYSA-N 0 0 377.444 3.575 20 10 GHCDRN CCCN(C[C@@H]1CCCCO1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000106546474 876101933 /nfs/dbraw/zinc/10/19/33/876101933.db2.gz ZSWOKHUNIBFCCV-NQIIRXRSSA-N 0 0 389.540 3.575 20 10 GHCDRN O=C(C1=CC(=O)CS1)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000776265228 876120743 /nfs/dbraw/zinc/12/07/43/876120743.db2.gz PFTSTRFQQKNANY-CYBMUJFWSA-N 0 0 386.242 3.569 20 10 GHCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CSc3ccc(Br)cc32)c1 ZINC000785575938 876137936 /nfs/dbraw/zinc/13/79/36/876137936.db2.gz HECUWVQHDZFYQF-CYBMUJFWSA-N 0 0 381.251 4.000 20 10 GHCDRN COCCOc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC001202373110 876170304 /nfs/dbraw/zinc/17/03/04/876170304.db2.gz KCWMTBVKEGEJHN-UHFFFAOYSA-N 0 0 389.883 3.719 20 10 GHCDRN Cc1cc(CC(=O)NCc2csc(=O)[nH]2)c(C)n1-c1ccc(Cl)cc1 ZINC000760173755 883011644 /nfs/dbraw/zinc/01/16/44/883011644.db2.gz LNASSSUFTZUVCZ-UHFFFAOYSA-N 0 0 375.881 3.769 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1c[nH]nc1-c1cccnc1 ZINC000107045404 876299046 /nfs/dbraw/zinc/29/90/46/876299046.db2.gz CPMCXJGXUDGBHP-UHFFFAOYSA-N 0 0 375.476 3.734 20 10 GHCDRN C[C@H](N(C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1(C)CC1 ZINC000176419853 876487667 /nfs/dbraw/zinc/48/76/67/876487667.db2.gz WSWFSTVLRGMAPJ-AWEZNQCLSA-N 0 0 399.457 3.872 20 10 GHCDRN CCOc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000108616550 876496853 /nfs/dbraw/zinc/49/68/53/876496853.db2.gz WSFJKTJAGLYAJT-UHFFFAOYSA-N 0 0 395.503 3.577 20 10 GHCDRN CCCc1cc(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)sc1C ZINC000786258343 876557734 /nfs/dbraw/zinc/55/77/34/876557734.db2.gz CTARTFGKIOBCQY-UHFFFAOYSA-N 0 0 399.560 3.608 20 10 GHCDRN CC[C@@H](C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1)C1CCC(C)CC1 ZINC000786260064 876559711 /nfs/dbraw/zinc/55/97/11/876559711.db2.gz VVMLMEJQLFVVMR-PSGUAHCZSA-N 0 0 399.579 3.824 20 10 GHCDRN Cc1occc1-c1cc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)no1 ZINC000786220180 876566931 /nfs/dbraw/zinc/56/69/31/876566931.db2.gz XEYLJBUTFYZRLZ-AWEZNQCLSA-N 0 0 396.447 3.962 20 10 GHCDRN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)Sc1ncc(Cl)s1 ZINC000849998985 876583769 /nfs/dbraw/zinc/58/37/69/876583769.db2.gz VDLKTLUEMGZTMJ-NSHDSACASA-N 0 0 383.926 3.649 20 10 GHCDRN CCOC(=O)c1c(C)oc2nc(CSc3ncc(Cl)s3)nc(N)c21 ZINC000849999128 876585067 /nfs/dbraw/zinc/58/50/67/876585067.db2.gz WJJIFPHOJXTDCR-UHFFFAOYSA-N 0 0 384.870 3.692 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1nn(C)c2ccccc12 ZINC000760175669 883048928 /nfs/dbraw/zinc/04/89/28/883048928.db2.gz UIZJRXKPUQXVJD-UHFFFAOYSA-N 0 0 379.508 3.760 20 10 GHCDRN Cc1cc(C(=O)COC(=O)C[C@@H](C)[C@H]2CCCO2)c(C)n1-c1ccc(F)cn1 ZINC000850087398 876652699 /nfs/dbraw/zinc/65/26/99/876652699.db2.gz RWDPAMHUIDBNIM-BFUOFWGJSA-N 0 0 388.439 3.559 20 10 GHCDRN Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)cc(Cl)c1Br ZINC000786392891 876666865 /nfs/dbraw/zinc/66/68/65/876666865.db2.gz ORGFWAQHLYYMAS-UHFFFAOYSA-N 0 0 384.657 3.795 20 10 GHCDRN COc1cc(F)cc(-c2noc(N[C@@H](C)c3ccc(N4CCOCC4)cc3)n2)c1 ZINC000858365955 883051699 /nfs/dbraw/zinc/05/16/99/883051699.db2.gz VMPGYEJICWVUIW-AWEZNQCLSA-N 0 0 398.438 3.894 20 10 GHCDRN Cc1[nH]nc(C(F)(F)F)c1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000746583573 876687618 /nfs/dbraw/zinc/68/76/18/876687618.db2.gz SHOUGONCWWYHGT-UHFFFAOYSA-N 0 0 380.414 3.999 20 10 GHCDRN CC[C@H](NC(=O)NCc1cc(OC)ccc1O)c1nc(C(F)(F)F)cs1 ZINC000174928845 883055532 /nfs/dbraw/zinc/05/55/32/883055532.db2.gz KZQZTSTWIDWWOY-NSHDSACASA-N 0 0 389.399 3.827 20 10 GHCDRN O=C(NCCCSc1nccs1)NCc1ccnc(OC2CCCC2)c1 ZINC000152089552 876771829 /nfs/dbraw/zinc/77/18/29/876771829.db2.gz GIFXLRSJZVOBER-UHFFFAOYSA-N 0 0 392.550 3.841 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1nn(C)c2ccccc12 ZINC000760177272 883063730 /nfs/dbraw/zinc/06/37/30/883063730.db2.gz KXJCGYQEKYBAPX-UHFFFAOYSA-N 0 0 391.519 3.905 20 10 GHCDRN CC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000786574306 876806726 /nfs/dbraw/zinc/80/67/26/876806726.db2.gz ACVITFXCVHUIGK-UHFFFAOYSA-N 0 0 383.448 3.618 20 10 GHCDRN COC(=O)c1cnc([C@@H](C)NCc2cc(OC)cc(C(C)(C)C)c2O)s1 ZINC000850332462 876817816 /nfs/dbraw/zinc/81/78/16/876817816.db2.gz IBRQJYOVLIUETA-LLVKDONJSA-N 0 0 378.494 3.792 20 10 GHCDRN COc1cc(C)c(C)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000850352673 876842801 /nfs/dbraw/zinc/84/28/01/876842801.db2.gz DSHFFLYYOMYZRJ-UHFFFAOYSA-N 0 0 395.503 3.508 20 10 GHCDRN CCCc1nc2ccccc2n1CCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000537672934 883070932 /nfs/dbraw/zinc/07/09/32/883070932.db2.gz NUOWROPFYHYOJT-UHFFFAOYSA-N 0 0 392.503 3.871 20 10 GHCDRN COc1cc(Br)ccc1[C@@H](C)NC(=O)NCc1ccccc1O ZINC000786734742 876891907 /nfs/dbraw/zinc/89/19/07/876891907.db2.gz PHCOIEXRFAHNFO-LLVKDONJSA-N 0 0 379.254 3.724 20 10 GHCDRN CC(=O)NCc1ccc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])cc1 ZINC000850484101 876957306 /nfs/dbraw/zinc/95/73/06/876957306.db2.gz CGMYTEASXSXUIU-LLVKDONJSA-N 0 0 395.272 3.781 20 10 GHCDRN C[C@@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)c1cc(Br)cc(F)c1[O-] ZINC000850500313 876975280 /nfs/dbraw/zinc/97/52/80/876975280.db2.gz FSVGWMAYCYPFSH-MEBBXXQBSA-N 0 0 393.256 3.532 20 10 GHCDRN O=S(=O)(NCc1ccccc1O)c1cc(Cl)ccc1OCC1CCC1 ZINC000786850996 876983897 /nfs/dbraw/zinc/98/38/97/876983897.db2.gz PAYRHIKCVJACKK-UHFFFAOYSA-N 0 0 381.881 3.703 20 10 GHCDRN C[C@@H]([NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850577726 877048470 /nfs/dbraw/zinc/04/84/70/877048470.db2.gz GZEMCQBLDISLMD-BEFAXECRSA-N 0 0 386.448 3.847 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000786966054 877055737 /nfs/dbraw/zinc/05/57/37/877055737.db2.gz KMXSIUOUOXEHCM-IBGZPJMESA-N 0 0 398.482 3.574 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N(C)CC3CCCC3)cc2F)C[C@H](C)O1 ZINC000109428990 877079044 /nfs/dbraw/zinc/07/90/44/877079044.db2.gz SOXFSMSIQUDYAX-IYBDPMFKSA-N 0 0 377.504 3.771 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N(C)CCN2CCCC2=O)cc1 ZINC000772693483 877090541 /nfs/dbraw/zinc/09/05/41/877090541.db2.gz MHJOAOMPDHVUIE-UHFFFAOYSA-N 0 0 393.491 3.862 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@H](Cc3cnn(C)c3)C2)c(C)n1-c1cccc(C)c1 ZINC000746627057 877097917 /nfs/dbraw/zinc/09/79/17/877097917.db2.gz VADXCVMEHLJRDN-LJQANCHMSA-N 0 0 376.504 3.841 20 10 GHCDRN Cc1cc(C(=O)COC(=O)Cc2ccccc2CO)c(C)n1-c1ccccc1 ZINC000787059994 877148347 /nfs/dbraw/zinc/14/83/47/877148347.db2.gz CJPWOFSFXJSPLQ-UHFFFAOYSA-N 0 0 377.440 3.555 20 10 GHCDRN Cc1cc(CNC(=O)N[C@H](c2nncn2C)C(C)C)c(C)n1-c1cccc(C)c1 ZINC000858447060 883102023 /nfs/dbraw/zinc/10/20/23/883102023.db2.gz PUSUCDSDTKWAKB-FQEVSTJZSA-N 0 0 394.523 3.728 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000858451786 883107726 /nfs/dbraw/zinc/10/77/26/883107726.db2.gz BRHAEYLMHNQMPU-GOSISDBHSA-N 0 0 385.508 3.517 20 10 GHCDRN C[C@@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1cc(Br)cc(F)c1[O-] ZINC000858452602 883108777 /nfs/dbraw/zinc/10/87/77/883108777.db2.gz MLCIIDLPTMRUGJ-SSDOTTSWSA-N 0 0 396.182 3.897 20 10 GHCDRN COc1ccc(O)c(CNC(=O)NCc2ccnc(Oc3ccccc3F)c2)c1 ZINC000787228201 877282656 /nfs/dbraw/zinc/28/26/56/877282656.db2.gz SWFVAIMWFLBVSM-UHFFFAOYSA-N 0 0 397.406 3.727 20 10 GHCDRN CC[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1C)c1cccc(Cl)c1 ZINC000787348346 877365528 /nfs/dbraw/zinc/36/55/28/877365528.db2.gz IGYZHKDIDRDPHY-IBGZPJMESA-N 0 0 387.911 3.598 20 10 GHCDRN CCc1nc(NC(=O)CN(Cc2ccco2)Cc2ccccc2O)sc1C ZINC000109761348 877424286 /nfs/dbraw/zinc/42/42/86/877424286.db2.gz KEAGLPUWGUBVJH-UHFFFAOYSA-N 0 0 385.489 3.953 20 10 GHCDRN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000787726523 877592032 /nfs/dbraw/zinc/59/20/32/877592032.db2.gz GCGAFPCHYLKLQN-CLTKARDFSA-N 0 0 375.837 3.865 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000007896291 877749319 /nfs/dbraw/zinc/74/93/19/877749319.db2.gz UPKNSUSJISVKHM-MDWZMJQESA-N 0 0 386.879 3.621 20 10 GHCDRN COC1CCN(c2ccc(C[N@@H+]3C[C@H](C(=O)[O-])[C@@H](c4ccccc4)C3)cc2)CC1 ZINC000851709427 877872553 /nfs/dbraw/zinc/87/25/53/877872553.db2.gz XIIHHRJDQSFBOR-PKTZIBPZSA-N 0 0 394.515 3.602 20 10 GHCDRN Nc1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)c(F)c1 ZINC000851765102 877905393 /nfs/dbraw/zinc/90/53/93/877905393.db2.gz PFYYHHRPQHJMDO-UHFFFAOYSA-N 0 0 378.469 3.637 20 10 GHCDRN C[C@@H](NC(=O)C(=O)N[C@H](c1ccccc1)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000788236893 877971120 /nfs/dbraw/zinc/97/11/20/877971120.db2.gz YLPYKSVVJZQQJC-OXQOHEQNSA-N 0 0 381.520 3.833 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NC[C@H](O)COCC2CC2)cc1 ZINC000772717506 877972592 /nfs/dbraw/zinc/97/25/92/877972592.db2.gz LNJWWYTXOKNXNX-IBGZPJMESA-N 0 0 396.491 3.685 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CCN(CC)c1ccc(CNC(=O)C(=O)N(Cc2cccs2)C(C)C)cc1 ZINC000788977245 878523785 /nfs/dbraw/zinc/52/37/85/878523785.db2.gz NDDJOZGJLQJERO-UHFFFAOYSA-N 0 0 387.549 3.648 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCCN(c2ccccc2)C1 ZINC000789022636 878546726 /nfs/dbraw/zinc/54/67/26/878546726.db2.gz AQYCGUHQWCRMHY-LJQANCHMSA-N 0 0 380.536 3.777 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C[C@H](O)c1cccc(F)c1 ZINC000180168973 878600835 /nfs/dbraw/zinc/60/08/35/878600835.db2.gz KZKSJNYHLYWETB-KRWDZBQOSA-N 0 0 396.256 3.766 20 10 GHCDRN Cc1ccccc1OCCN(C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068480543 878612185 /nfs/dbraw/zinc/61/21/85/878612185.db2.gz NYUSGVWLLZXEGK-IBGZPJMESA-N 0 0 397.519 3.613 20 10 GHCDRN CCOc1cc(F)ccc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068483984 878615568 /nfs/dbraw/zinc/61/55/68/878615568.db2.gz ONPABOKFLGOAEN-OAHLLOKOSA-N 0 0 387.455 3.944 20 10 GHCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H](c1ccccc1)C(C)(C)CO ZINC000152459762 878624250 /nfs/dbraw/zinc/62/42/50/878624250.db2.gz 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HVRJSUIIYHEJEO-OALUTQOASA-N 0 0 376.884 3.671 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC2CCC1CC2 ZINC000854224459 879643893 /nfs/dbraw/zinc/64/38/93/879643893.db2.gz XOZFLXJTDUXONV-NRBRWOBXSA-N 0 0 385.552 3.662 20 10 GHCDRN CCOc1ccc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1OC ZINC000854230783 879647028 /nfs/dbraw/zinc/64/70/28/879647028.db2.gz YFQRHCWQMPLXDL-MRXNPFEDSA-N 0 0 385.464 3.503 20 10 GHCDRN Cc1cc(C(=O)CN2C[C@@H](C)OC3(CCOCC3)C2)c(C)n1-c1ccccc1 ZINC000790369591 879673674 /nfs/dbraw/zinc/67/36/74/879673674.db2.gz LNKAJTRJDVDFSL-GOSISDBHSA-N 0 0 382.504 3.547 20 10 GHCDRN O=C(Nc1cc(-c2ccc(Br)s2)[nH]n1)c1cccc(O)c1O ZINC000790566461 879825107 /nfs/dbraw/zinc/82/51/07/879825107.db2.gz ZJJCQELEGMFXHB-UHFFFAOYSA-N 0 0 380.223 3.564 20 10 GHCDRN O=C(Cc1ccc(Cl)c(F)c1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000790545383 879839593 /nfs/dbraw/zinc/83/95/93/879839593.db2.gz DZFKOWADVLZYQP-UHFFFAOYSA-N 0 0 390.886 3.547 20 10 GHCDRN CO[C@@H]1CCOc2c(NC(=O)NCc3ccc4c(c3)CCCN4C)cccc21 ZINC000790579833 879867578 /nfs/dbraw/zinc/86/75/78/879867578.db2.gz MVBKANDUIRVWBE-HXUWFJFHSA-N 0 0 381.476 3.861 20 10 GHCDRN C[C@@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000790753797 879956125 /nfs/dbraw/zinc/95/61/25/879956125.db2.gz FQPYTLZHFIRZGK-SFYZADRCSA-N 0 0 386.681 3.541 20 10 GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1scc(C)c1Cl ZINC000790849449 880017972 /nfs/dbraw/zinc/01/79/72/880017972.db2.gz SMJLTCBRQRJFSV-UHFFFAOYSA-N 0 0 388.272 3.884 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCCOc2c(F)cccc21 ZINC000181196919 880071571 /nfs/dbraw/zinc/07/15/71/880071571.db2.gz JNBCVURPXJMVOT-HXUWFJFHSA-N 0 0 381.451 3.915 20 10 GHCDRN Cc1cc(C(=O)NCC2(C)COC2)c(C)n1-c1cccc(Br)c1 ZINC000112693644 880088368 /nfs/dbraw/zinc/08/83/68/880088368.db2.gz URICGGUESBLYBW-UHFFFAOYSA-N 0 0 377.282 3.623 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)C1CCC(C2CC2)CC1 ZINC000854905983 880138023 /nfs/dbraw/zinc/13/80/23/880138023.db2.gz MBCWNIXDNMESJE-UHFFFAOYSA-N 0 0 378.463 3.634 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)OC[C@@H]3CC4(CCC4)C(=O)O3)c2C)cc1 ZINC000791275661 880300736 /nfs/dbraw/zinc/30/07/36/880300736.db2.gz VPWGKVRBAZKMAC-SFHVURJKSA-N 0 0 383.444 3.745 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(COC)cc1 ZINC000791246299 880305336 /nfs/dbraw/zinc/30/53/36/880305336.db2.gz MDBAPHUJDOAETA-UHFFFAOYSA-N 0 0 398.503 3.835 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CC(C)(C)Oc4ccccc43)C2)cc1 ZINC000855225702 880370043 /nfs/dbraw/zinc/37/00/43/880370043.db2.gz PTOJMFGMZXGFLE-OXJNMPFZSA-N 0 0 380.488 3.735 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3c(C)cccc3Br)C2)cc1 ZINC000855227331 880371010 /nfs/dbraw/zinc/37/10/10/880371010.db2.gz VKOQDBYGSGVZBJ-CQSZACIVSA-N 0 0 389.293 3.775 20 10 GHCDRN CCOc1ccc(C[C@H](C)C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000855227793 880372015 /nfs/dbraw/zinc/37/20/15/880372015.db2.gz ZYDHECCMJFYRKS-PKOBYXMFSA-N 0 0 382.504 3.668 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3ccsc3Br)C2)cc1 ZINC000855227781 880372269 /nfs/dbraw/zinc/37/22/69/880372269.db2.gz ZTOKVULZNDJHFL-NSHDSACASA-N 0 0 381.295 3.528 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Cc3c(C)nc4ccccc4c3C)C2)cc1 ZINC000855228640 880373132 /nfs/dbraw/zinc/37/31/32/880373132.db2.gz BVWQWMXBKSFXGV-SFHVURJKSA-N 0 0 389.499 3.798 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3cc(C)n(CC(F)(F)F)c3C)C2)cc1 ZINC000855230531 880375249 /nfs/dbraw/zinc/37/52/49/880375249.db2.gz WYMPPNBJMYMAJH-HNNXBMFYSA-N 0 0 395.425 3.685 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)Oc3ccc(SC)cc3)C2)cc1 ZINC000855230699 880375315 /nfs/dbraw/zinc/37/53/15/880375315.db2.gz IDQGBMYBOMTLLW-CVEARBPZSA-N 0 0 386.517 3.580 20 10 GHCDRN CC(C)CCc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000747010120 880385398 /nfs/dbraw/zinc/38/53/98/880385398.db2.gz UITZQICUFIKEBV-UHFFFAOYSA-N 0 0 385.483 3.735 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000772775433 880448314 /nfs/dbraw/zinc/44/83/14/880448314.db2.gz NKSANDRHYKHSAW-KXFIGUGUSA-N 0 0 382.199 3.600 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)CCc3cnc4ccccc4c3)CC2)cc1 ZINC000791535581 880486474 /nfs/dbraw/zinc/48/64/74/880486474.db2.gz YOTFVVUQBREJJK-UHFFFAOYSA-N 0 0 389.499 3.915 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCc1cc(Cl)c2c(c1)OCCCO2 ZINC000772776318 880494560 /nfs/dbraw/zinc/49/45/60/880494560.db2.gz QEBYPHFMNAWGQV-HYXAFXHYSA-N 0 0 376.792 3.669 20 10 GHCDRN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N[C@@H]1C=CCC1 ZINC000855421467 880510464 /nfs/dbraw/zinc/51/04/64/880510464.db2.gz HFHJKLPNKSQRMA-POKNLVKOSA-N 0 0 378.544 3.564 20 10 GHCDRN CO[C@@]1(CO)CCCN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)C1 ZINC000855445457 880518107 /nfs/dbraw/zinc/51/81/07/880518107.db2.gz WTXHKDYYCNYIQK-QFIPXVFZSA-N 0 0 396.491 3.782 20 10 GHCDRN C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000772775780 880521136 /nfs/dbraw/zinc/52/11/36/880521136.db2.gz OHHSRBAWCQGGPJ-BWLWAFFFSA-N 0 0 395.333 3.700 20 10 GHCDRN COc1ccc(-c2nc(COC(=O)/C=C/c3ccc(O)c(O)c3)cs2)cc1 ZINC000772776925 880549358 /nfs/dbraw/zinc/54/93/58/880549358.db2.gz SSRXIIUMOXJLHK-YCRREMRBSA-N 0 0 383.425 3.987 20 10 GHCDRN C[C@@H](NC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1)c1cccc2ccccc21 ZINC000772777700 880565049 /nfs/dbraw/zinc/56/50/49/880565049.db2.gz XQNVIVDEQFWEPN-HBIYDYFMSA-N 0 0 391.423 3.685 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@H](c3ccccc3)[C@H](CO)C2)c(C)n1-c1ccccn1 ZINC000855754645 880725554 /nfs/dbraw/zinc/72/55/54/880725554.db2.gz CLDLBEIUUNXLFL-LEWJYISDSA-N 0 0 389.499 3.727 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3cc(C)n([C@H](C)C4CC4)n3)CC2)cc1 ZINC000776836144 880738359 /nfs/dbraw/zinc/73/83/59/880738359.db2.gz IQWXEVJYUPIJKG-QGZVFWFLSA-N 0 0 382.508 3.524 20 10 GHCDRN COC(=O)N(C)CCN(C)C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000855887057 880837164 /nfs/dbraw/zinc/83/71/64/880837164.db2.gz LHKPVQZFLUYMPA-UHFFFAOYSA-N 0 0 397.479 3.938 20 10 GHCDRN CCC[C@H](NC(=O)NCCCSc1nccs1)[C@@H](O)c1ccccc1 ZINC000792129376 880929536 /nfs/dbraw/zinc/92/95/36/880929536.db2.gz UZXGPOSCZGSFEO-HOTGVXAUSA-N 0 0 379.551 3.827 20 10 GHCDRN CCC[C@H](NC(=O)NCCCSc1nccs1)[C@H](O)c1ccccc1 ZINC000792129381 880929545 /nfs/dbraw/zinc/92/95/45/880929545.db2.gz UZXGPOSCZGSFEO-JKSUJKDBSA-N 0 0 379.551 3.827 20 10 GHCDRN C[N@H+](Cc1c([O-])ccc(Cl)c1F)C1CCN(C(=O)c2ccccc2)CC1 ZINC000792163966 880956845 /nfs/dbraw/zinc/95/68/45/880956845.db2.gz FIVAZSWYBRWZAD-UHFFFAOYSA-N 0 0 376.859 3.921 20 10 GHCDRN COC(=O)[C@@H](NCc1ccc(OCc2ccccc2)cc1O)c1cccc(O)c1 ZINC000792182185 880969256 /nfs/dbraw/zinc/96/92/56/880969256.db2.gz XWFONEKYTRMRJF-QFIPXVFZSA-N 0 0 393.439 3.681 20 10 GHCDRN COCCC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000792282704 881011395 /nfs/dbraw/zinc/01/13/95/881011395.db2.gz NXTBDSCPRZHIDM-SJLPKXTDSA-N 0 0 386.492 3.799 20 10 GHCDRN CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000792316360 881041294 /nfs/dbraw/zinc/04/12/94/881041294.db2.gz ONDMVKDWCFZKQO-MRXNPFEDSA-N 0 0 392.544 3.540 20 10 GHCDRN O=C(C[C@H](c1ccc(O)cc1)C1CC1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856209494 881042271 /nfs/dbraw/zinc/04/22/71/881042271.db2.gz PWEKVIWHYXQQOB-QHCPKHFHSA-N 0 0 394.515 3.553 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1csc(-c2cccs2)n1 ZINC000856208799 881042533 /nfs/dbraw/zinc/04/25/33/881042533.db2.gz VFFWDMYJFRRXOP-UHFFFAOYSA-N 0 0 399.541 3.763 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1nc2ccccc2cc1Cl ZINC000856214691 881048155 /nfs/dbraw/zinc/04/81/55/881048155.db2.gz BKXFZRPQFZGIFC-UHFFFAOYSA-N 0 0 395.890 3.779 20 10 GHCDRN O=C(Cc1csc(-c2ccccn2)n1)NCCCSc1nccs1 ZINC000114139704 881151459 /nfs/dbraw/zinc/15/14/59/881151459.db2.gz JUUZTOLXLPJISM-UHFFFAOYSA-N 0 0 376.532 3.503 20 10 GHCDRN Cc1cc(C(=O)N2CCO[C@]3(CCO[C@H]3C)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000792538122 881167468 /nfs/dbraw/zinc/16/74/68/881167468.db2.gz AIGIZOGVPWWYNW-WMZHIEFXSA-N 0 0 382.504 3.731 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(N3CCCCCC3)nc2)c1 ZINC000103511763 881257828 /nfs/dbraw/zinc/25/78/28/881257828.db2.gz GZXWBSQGGPNYKP-INIZCTEOSA-N 0 0 398.507 3.737 20 10 GHCDRN C=CC(=O)NCc1ccc(C(=O)N(C)Cc2ccc(N(CC)CC)cc2)cc1 ZINC000919976783 881284349 /nfs/dbraw/zinc/28/43/49/881284349.db2.gz WLODSZJRSSMOQE-UHFFFAOYSA-N 0 0 379.504 3.607 20 10 GHCDRN Cc1cc(I)cc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000804647870 883163049 /nfs/dbraw/zinc/16/30/49/883163049.db2.gz DRHZMUBZMZWSEB-HWKANZROSA-N 0 0 395.196 3.663 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(-c2csnn2)cc1 ZINC000858589963 883219121 /nfs/dbraw/zinc/21/91/21/883219121.db2.gz DYCFKWYBYPZBRV-UHFFFAOYSA-N 0 0 396.541 3.688 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)c1ccccn1 ZINC000173384767 883225340 /nfs/dbraw/zinc/22/53/40/883225340.db2.gz HULFMRLJHYRNLK-LBPRGKRZSA-N 0 0 378.270 3.842 20 10 GHCDRN C[C@H](NC(=O)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1)c1ccc(N(C)C)cc1 ZINC000804682244 883238649 /nfs/dbraw/zinc/23/86/49/883238649.db2.gz GRAWPBLEOLJNCQ-BTYIYWSLSA-N 0 0 397.494 3.727 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccsc3)cc2F)C[C@H](C)O1 ZINC000858625916 883241941 /nfs/dbraw/zinc/24/19/41/883241941.db2.gz GPWSAPHFCXBMGR-IHETXDGRSA-N 0 0 388.508 3.921 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)[C@H](C)OCc3ccccc3C)CC2)cc1 ZINC000858666759 883268444 /nfs/dbraw/zinc/26/84/44/883268444.db2.gz GUGYIVNMZAZGTR-IBGZPJMESA-N 0 0 382.504 3.648 20 10 GHCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000729853338 883272988 /nfs/dbraw/zinc/27/29/88/883272988.db2.gz SBCDICBADKGAGS-UHFFFAOYSA-N 0 0 386.439 3.771 20 10 GHCDRN COc1nc(C(=O)NCc2cc(Br)ccc2O)cc2ccccc21 ZINC000804739931 883300457 /nfs/dbraw/zinc/30/04/57/883300457.db2.gz ZLFYONRTZUDIRW-UHFFFAOYSA-N 0 0 387.233 3.642 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)c1ncoc1-c1ccc(F)cc1 ZINC000804733067 883315292 /nfs/dbraw/zinc/31/52/92/883315292.db2.gz ICCAYUGQCBBUMF-UHFFFAOYSA-N 0 0 391.196 3.879 20 10 GHCDRN Cc1nc(-c2ccccc2)[nH]c1C(=O)NCc1cc(Br)ccc1O ZINC000804735281 883317603 /nfs/dbraw/zinc/31/76/03/883317603.db2.gz SQWZHQUEGNCFCZ-UHFFFAOYSA-N 0 0 386.249 3.783 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)c1ccccc1Br ZINC000804736406 883319432 /nfs/dbraw/zinc/31/94/32/883319432.db2.gz VASLCFSFHPEFRI-UHFFFAOYSA-N 0 0 385.055 3.847 20 10 GHCDRN O=C(Cc1ccc(OC(F)F)cc1)NCc1cc(Br)ccc1O ZINC000804737380 883319468 /nfs/dbraw/zinc/31/94/68/883319468.db2.gz HXXZMRAAQPBCEG-UHFFFAOYSA-N 0 0 386.192 3.615 20 10 GHCDRN Cc1c(C(=O)NCc2cc(Br)ccc2O)oc2c1C(=O)CCC2 ZINC000804736743 883319712 /nfs/dbraw/zinc/31/97/12/883319712.db2.gz ZQKKTXMKJXNPSD-UHFFFAOYSA-N 0 0 378.222 3.505 20 10 GHCDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2cc(Br)ccc2O)c1 ZINC000804739733 883323091 /nfs/dbraw/zinc/32/30/91/883323091.db2.gz QNXAUUTYBKPUDF-UHFFFAOYSA-N 0 0 397.250 3.715 20 10 GHCDRN Cc1ccc(C(C)(C)CNC(=O)NCc2cccc(Br)c2O)nc1 ZINC000858761132 883336853 /nfs/dbraw/zinc/33/68/53/883336853.db2.gz NOGMYOBQNCPBNO-UHFFFAOYSA-N 0 0 392.297 3.635 20 10 GHCDRN C[C@@H](NC(=O)Cc1ccc(F)c(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000858785098 883355773 /nfs/dbraw/zinc/35/57/73/883355773.db2.gz DCPCGQDXFITUBD-CQSZACIVSA-N 0 0 376.859 3.736 20 10 GHCDRN C[C@H](NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)c1ccc(N2CCOCC2)cc1 ZINC000858786912 883355874 /nfs/dbraw/zinc/35/58/74/883355874.db2.gz WMPKCVSTVHNVAK-GSXQUDMHSA-N 0 0 396.918 3.940 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N(C)CCc2ccccn2)ccc1C ZINC000858827517 883384155 /nfs/dbraw/zinc/38/41/55/883384155.db2.gz FMMIXOPQBMUMKR-UHFFFAOYSA-N 0 0 375.472 3.925 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CC1(C)C ZINC001129974815 883398153 /nfs/dbraw/zinc/39/81/53/883398153.db2.gz SFDNXVWZRUFXFQ-WAIKUNEKSA-N 0 0 388.552 3.866 20 10 GHCDRN C[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccns1 ZINC000858961429 883496160 /nfs/dbraw/zinc/49/61/60/883496160.db2.gz COMYQWQMAZCWMP-QWHCGFSZSA-N 0 0 396.463 3.774 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NCC1(c2ccccn2)CCC1 ZINC000804968766 883517274 /nfs/dbraw/zinc/51/72/74/883517274.db2.gz JSCJMRHIXVJSMV-UHFFFAOYSA-N 0 0 396.560 3.556 20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)NCCC3(F)CCC3)cc2F)C[C@H](C)O1 ZINC000804970561 883518163 /nfs/dbraw/zinc/51/81/63/883518163.db2.gz YAODECCHONVOBX-GJZGRUSLSA-N 0 0 381.467 3.521 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NC1CC(C)(c2ccccc2)C1 ZINC000804971774 883518575 /nfs/dbraw/zinc/51/85/75/883518575.db2.gz NKVYTMQVABCANR-UHFFFAOYSA-N 0 0 394.515 3.757 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCC(=O)OC(C)(C)C ZINC000175287496 883570324 /nfs/dbraw/zinc/57/03/24/883570324.db2.gz ZVHIUTFRNWASQL-UHFFFAOYSA-N 0 0 375.513 3.550 20 10 GHCDRN CCc1nc([C@@H](C)NC(=O)NCc2cc(Br)ccc2O)cs1 ZINC000805102732 883581241 /nfs/dbraw/zinc/58/12/41/883581241.db2.gz QREWSRWIUVXMPI-SECBINFHSA-N 0 0 384.299 3.734 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3cccc(OC(C)(C)C)n3)CC2)cc1 ZINC000859096480 883586196 /nfs/dbraw/zinc/58/61/96/883586196.db2.gz FFBATRXMJMZARL-UHFFFAOYSA-N 0 0 383.492 3.666 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)Nc2nc3c(s2)COCC3)c1 ZINC000859151023 883620736 /nfs/dbraw/zinc/62/07/36/883620736.db2.gz WIEOVZLXFJVRSD-UHFFFAOYSA-N 0 0 381.457 3.688 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3cc(OC)ccc3Cl)CC2)cc1 ZINC000064559946 883661072 /nfs/dbraw/zinc/66/10/72/883661072.db2.gz MJQJJPNQAIDYMM-UHFFFAOYSA-N 0 0 375.856 3.711 20 10 GHCDRN C/C=C\C[C@@H]1CCCN(C(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000859270324 883709102 /nfs/dbraw/zinc/70/91/02/883709102.db2.gz PCCHUVZPSOTFQJ-LHRDXKRPSA-N 0 0 396.487 3.719 20 10 GHCDRN COc1cccc(CNC(=O)c2oc3ccc(CCC(C)=O)cc3c2C)c1O ZINC000729861760 883740870 /nfs/dbraw/zinc/74/08/70/883740870.db2.gz ZDXKJGUAIBMEPQ-UHFFFAOYSA-N 0 0 381.428 3.907 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000859459758 883827157 /nfs/dbraw/zinc/82/71/57/883827157.db2.gz GRVHPPDUROCVRB-PKTZIBPZSA-N 0 0 396.506 3.844 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)CCCCC(=O)OC(C)(C)C)C2)cc1 ZINC001130185672 883832674 /nfs/dbraw/zinc/83/26/74/883832674.db2.gz OAHXICDWICGBEY-QGZVFWFLSA-N 0 0 390.524 3.540 20 10 GHCDRN CC1CCN(c2cccc(NC(=O)c3cccc(Cn4cncn4)c3)c2)CC1 ZINC000859515314 883863943 /nfs/dbraw/zinc/86/39/43/883863943.db2.gz IDOUCQRNOIYFQJ-UHFFFAOYSA-N 0 0 375.476 3.815 20 10 GHCDRN Cc1cc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)c(C)n1-c1ccccc1C ZINC000914504108 883879810 /nfs/dbraw/zinc/87/98/10/883879810.db2.gz VUASLDYIVJFUNC-UHFFFAOYSA-N 0 0 381.520 3.733 20 10 GHCDRN Cc1ccccc1[C@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)NC(N)=O ZINC000914508116 883892640 /nfs/dbraw/zinc/89/26/40/883892640.db2.gz VVAQVIZJNVGIFS-NRFANRHFSA-N 0 0 396.535 3.598 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)c2cccnc2OCC(F)F)C2CC2)cc1 ZINC000760372673 884012332 /nfs/dbraw/zinc/01/23/32/884012332.db2.gz VSADJUYVZAYKKD-UHFFFAOYSA-N 0 0 375.419 3.596 20 10 GHCDRN Cc1c(N)cccc1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000859732000 884019829 /nfs/dbraw/zinc/01/98/29/884019829.db2.gz WQLWLWVVHSDZEL-ZIAGYGMSSA-N 0 0 386.471 3.652 20 10 GHCDRN Cc1cc(C(F)F)oc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000859734292 884022866 /nfs/dbraw/zinc/02/28/66/884022866.db2.gz PTOVLKAJMKCWAE-UHFFFAOYSA-N 0 0 382.382 3.556 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)NC2CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000918592344 884024218 /nfs/dbraw/zinc/02/42/18/884024218.db2.gz FZWWEYNASYWILS-IBGZPJMESA-N 0 0 385.895 3.631 20 10 GHCDRN CCCOc1nc2ccccc2cc1/C=C\C(=O)N1CCOc2ncccc21 ZINC001126778478 884089726 /nfs/dbraw/zinc/08/97/26/884089726.db2.gz ZHXRKKHSORDTMR-KTKRTIGZSA-N 0 0 375.428 3.857 20 10 GHCDRN CC(C)(C)c1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000918670031 884115167 /nfs/dbraw/zinc/11/51/67/884115167.db2.gz FPKGQMQOGDMGAW-UHFFFAOYSA-N 0 0 383.448 3.981 20 10 GHCDRN CC(C)COc1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000117008587 884152942 /nfs/dbraw/zinc/15/29/42/884152942.db2.gz SRQSKSBWFUACIN-UHFFFAOYSA-N 0 0 398.507 3.617 20 10 GHCDRN COc1cccc2c1CN(CC(=O)c1cc(C)n(-c3ccc(F)cn3)c1C)C2 ZINC000859939524 884189500 /nfs/dbraw/zinc/18/95/00/884189500.db2.gz IRXDVTYDKPDGKY-UHFFFAOYSA-N 0 0 379.435 3.835 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCCc1c(C)noc1C ZINC000859962814 884217394 /nfs/dbraw/zinc/21/73/94/884217394.db2.gz IJDWXUQPWGUPTO-UHFFFAOYSA-N 0 0 379.460 3.874 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@H](CCO)c2ccccc2)c1 ZINC000859978335 884228699 /nfs/dbraw/zinc/22/86/99/884228699.db2.gz YIAOWYHSSVHDSM-NRFANRHFSA-N 0 0 390.483 3.803 20 10 GHCDRN Cc1cc(C(=O)C[N@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000263154875 884238154 /nfs/dbraw/zinc/23/81/54/884238154.db2.gz FPZXHFJTWOBSCI-IFXJQAMLSA-N 0 0 382.504 3.936 20 10 GHCDRN Cc1cc(C(=O)C[N@@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000263154877 884239142 /nfs/dbraw/zinc/23/91/42/884239142.db2.gz FPZXHFJTWOBSCI-KUHUBIRLSA-N 0 0 382.504 3.936 20 10 GHCDRN Cc1cc(C(=O)Cn2nnc(C3CC3)n2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000918733812 884247248 /nfs/dbraw/zinc/24/72/48/884247248.db2.gz LLVOLEVYIMZBFT-UHFFFAOYSA-N 0 0 389.381 3.860 20 10 GHCDRN Cc1cc(C(=O)N2CCC(c3nncn3C)CC2)c(C)n1-c1cccc(C)c1 ZINC000192751145 884295404 /nfs/dbraw/zinc/29/54/04/884295404.db2.gz IRYQCMPWEJGLPK-UHFFFAOYSA-N 0 0 377.492 3.551 20 10 GHCDRN Nc1ccc(CCNC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 ZINC000841955285 884314434 /nfs/dbraw/zinc/31/44/34/884314434.db2.gz YKQLMAKPLZEFTF-UHFFFAOYSA-N 0 0 381.476 3.694 20 10 GHCDRN Cc1cc(CC(=O)N[C@H](C)C(=O)OCc2ccccc2)c(C)n1-c1ccccc1 ZINC001130508903 884340098 /nfs/dbraw/zinc/34/00/98/884340098.db2.gz VXCYZPWBMRDGHI-GOSISDBHSA-N 0 0 390.483 3.885 20 10 GHCDRN Cc1cc(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c(C)n1-c1ccccn1 ZINC000914613789 884350833 /nfs/dbraw/zinc/35/08/33/884350833.db2.gz KQLVOBXAXXTBKP-IDHHARJASA-N 0 0 383.492 3.587 20 10 GHCDRN Cc1cc(C(=O)OCC(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccccn1 ZINC000914613889 884351036 /nfs/dbraw/zinc/35/10/36/884351036.db2.gz NMLHGEBYTLSNAF-UHFFFAOYSA-N 0 0 383.835 3.938 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)Nc1ccc(F)c(F)c1F ZINC000806106333 884362569 /nfs/dbraw/zinc/36/25/69/884362569.db2.gz SRLXRILORHGKLK-UHFFFAOYSA-N 0 0 375.144 3.894 20 10 GHCDRN Nc1ccc(CCNC(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)cc1 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COC(=O)Cc1cccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)n1 ZINC000795796975 912835511 /nfs/dbraw/zinc/83/55/11/912835511.db2.gz QUMVUVCUHQIPQT-UHFFFAOYSA-N 0 0 387.483 3.972 20 10 GHCDRN C[NH+](C)[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-])Cc1ccccc1 ZINC000806307402 884552918 /nfs/dbraw/zinc/55/29/18/884552918.db2.gz CWBCPEIPBHTRSW-INIZCTEOSA-N 0 0 396.318 3.671 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](COC)c3nccs3)ccc21 ZINC000774684638 912838068 /nfs/dbraw/zinc/83/80/68/912838068.db2.gz ZTJHKLAIOZUFTN-SFHVURJKSA-N 0 0 388.489 3.906 20 10 GHCDRN O=c1ccccn1CCSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000747318390 884570523 /nfs/dbraw/zinc/57/05/23/884570523.db2.gz MFXOWQPGDIEKGB-SFHVURJKSA-N 0 0 381.501 3.683 20 10 GHCDRN C[C@H](NC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)c1ccccc1O ZINC000827987190 884591779 /nfs/dbraw/zinc/59/17/79/884591779.db2.gz ZIXRBCCKDYJCSI-CPFIRTDXSA-N 0 0 378.472 3.521 20 10 GHCDRN CC(C)(C)OC1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000154853657 884597337 /nfs/dbraw/zinc/59/73/37/884597337.db2.gz GRZRFLRWKOOMNF-UHFFFAOYSA-N 0 0 391.581 3.729 20 10 GHCDRN CC(C)c1ccc([C@H](NC(=O)C(=O)NCCc2ccc(N)cc2)C(C)C)cc1 ZINC000842037063 884626221 /nfs/dbraw/zinc/62/62/21/884626221.db2.gz UUBJCESEDCTXOX-OAQYLSRUSA-N 0 0 381.520 3.564 20 10 GHCDRN CSCc1ccc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000286667465 912846209 /nfs/dbraw/zinc/84/62/09/912846209.db2.gz BGGNRZHQQPHNMM-UHFFFAOYSA-N 0 0 399.560 3.728 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)Nc1cc(C(F)(F)F)ccn1 ZINC000806407440 884692864 /nfs/dbraw/zinc/69/28/64/884692864.db2.gz SHHQEHKNJBMKJK-UHFFFAOYSA-N 0 0 390.159 3.890 20 10 GHCDRN C[C@H](C1CC1)n1cc(NC(=O)NCc2cc(Br)ccc2O)cn1 ZINC000806441134 884706546 /nfs/dbraw/zinc/70/65/46/884706546.db2.gz DQDHEDGKWCDALS-SNVBAGLBSA-N 0 0 379.258 3.644 20 10 GHCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1COc2ccc(Cl)cc21 ZINC000761831535 884706803 /nfs/dbraw/zinc/70/68/03/884706803.db2.gz QVHDDKIXZIUZEW-CQSZACIVSA-N 0 0 393.226 3.597 20 10 GHCDRN COCCN(CC(=O)Nc1cc(Cl)ccc1F)c1ccc(OC)c(OC)c1 ZINC000174799103 884801757 /nfs/dbraw/zinc/80/17/57/884801757.db2.gz HDTHYRWFPDKSFF-UHFFFAOYSA-N 0 0 396.846 3.588 20 10 GHCDRN COCC1(C)CCN(C(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)CC1 ZINC000860586712 884826557 /nfs/dbraw/zinc/82/65/57/884826557.db2.gz JEUKXMKIFNOVEB-UHFFFAOYSA-N 0 0 382.504 3.724 20 10 GHCDRN CCc1ccccc1N1C(=O)C(=Cc2cc(C)n(CCOC)c2C)NC1=S ZINC000153375781 884843888 /nfs/dbraw/zinc/84/38/88/884843888.db2.gz AJTLYJGWMUBOKP-AQTBWJFISA-N 0 0 383.517 3.576 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)NCCc3cn4c(n3)CCCC4)c2C)cc1 ZINC000914848122 884937409 /nfs/dbraw/zinc/93/74/09/884937409.db2.gz JHPWRMWFXZLAKS-UHFFFAOYSA-N 0 0 392.503 3.608 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCC[C@@H]2CCO[C@H](C)C2)cc1 ZINC000860759605 884978225 /nfs/dbraw/zinc/97/82/25/884978225.db2.gz LGCCEPIVDDOBDY-YLJYHZDGSA-N 0 0 382.504 3.771 20 10 GHCDRN COc1ccc(O)c(CNC(=O)NCc2ccncc2OCCC(C)(C)C)c1 ZINC000806809501 885008246 /nfs/dbraw/zinc/00/82/46/885008246.db2.gz AOYHYPOVZCMHOC-UHFFFAOYSA-N 0 0 387.480 3.610 20 10 GHCDRN COc1ccc(Cn2cc(NC(=O)NCc3ccc(N(C)C)cc3C)cn2)cc1 ZINC000806821530 885033407 /nfs/dbraw/zinc/03/34/07/885033407.db2.gz ODLHULUHVQIQTP-UHFFFAOYSA-N 0 0 393.491 3.636 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)C[C@@H](O)c2ccco2)cc1F ZINC000153408731 885137917 /nfs/dbraw/zinc/13/79/17/885137917.db2.gz FLTARDQPXUXIPJ-KBXCAEBGSA-N 0 0 377.460 3.576 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)c(F)cc1Cl ZINC000807007037 885177599 /nfs/dbraw/zinc/17/75/99/885177599.db2.gz YSEUPVVWXIFDEH-UHFFFAOYSA-N 0 0 378.831 3.870 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)Cn3ccc4ccc(Cl)cc43)C2)cc1 ZINC001130827288 885211677 /nfs/dbraw/zinc/21/16/77/885211677.db2.gz XXBBQGJLODZOIS-QGZVFWFLSA-N 0 0 383.879 3.698 20 10 GHCDRN CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)CC)cc2)cc1 ZINC000121842378 885213183 /nfs/dbraw/zinc/21/31/83/885213183.db2.gz TZRDMAUVOKHXMR-AWEZNQCLSA-N 0 0 396.534 3.763 20 10 GHCDRN O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000117975750 885233878 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Cc1cc2cc(CNC(=O)NCc3cc(Br)ccc3O)ccc2[nH]1 ZINC000807560557 885561488 /nfs/dbraw/zinc/56/14/88/885561488.db2.gz PEACXXMMFPKLMD-UHFFFAOYSA-N 0 0 388.265 3.944 20 10 GHCDRN COc1ccc([C@@H](C)NC(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)c1OC ZINC000807602915 885565610 /nfs/dbraw/zinc/56/56/10/885565610.db2.gz LVSRFJWEHBJPSS-MRXNPFEDSA-N 0 0 385.508 3.981 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000747411632 885597457 /nfs/dbraw/zinc/59/74/57/885597457.db2.gz CVXAUUQWAFPXPU-LEWJYISDSA-N 0 0 384.907 3.939 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3cnn(-c4cccc(Cl)c4)c3)C2)cc1 ZINC001131029697 885617788 /nfs/dbraw/zinc/61/77/88/885617788.db2.gz DRFQRASKWOUZSX-KRWDZBQOSA-N 0 0 396.878 3.543 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)Oc3cc(C)ccc3Cl)C2)cc1 ZINC001131030368 885619514 /nfs/dbraw/zinc/61/95/14/885619514.db2.gz OXEOVKHIMZKDPV-JKSUJKDBSA-N 0 0 388.895 3.819 20 10 GHCDRN C[C@H](NC(=O)C(=O)N(C)Cc1ccc(C(C)(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000807672813 885623226 /nfs/dbraw/zinc/62/32/26/885623226.db2.gz IVBSJSNFKJJGJX-KRWDZBQOSA-N 0 0 395.547 3.886 20 10 GHCDRN CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1CNC(=O)C1=CC(=O)CS1 ZINC000807680290 885629684 /nfs/dbraw/zinc/62/96/84/885629684.db2.gz OHITXAUMIHXGCI-INIZCTEOSA-N 0 0 388.489 3.718 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(OCc2nc(C)no2)nc1 ZINC000861563274 885649737 /nfs/dbraw/zinc/64/97/37/885649737.db2.gz MRWMULPETFCPEE-UHFFFAOYSA-N 0 0 396.447 3.500 20 10 GHCDRN CC1=C(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCC1 ZINC000747420163 885688688 /nfs/dbraw/zinc/68/86/88/885688688.db2.gz OXBRYNCUOZBGIW-IBGZPJMESA-N 0 0 387.524 3.935 20 10 GHCDRN O=C(COCc1nc2ccccc2s1)NCc1ccc(N2CCCC2)cc1 ZINC000915083708 885706991 /nfs/dbraw/zinc/70/69/91/885706991.db2.gz FXSWULKLSOURBI-UHFFFAOYSA-N 0 0 381.501 3.730 20 10 GHCDRN Cc1[nH]c(C(=O)NCc2ccc(N3CCCC3)cc2)c(C)c1C(=O)OC(C)C ZINC000915084040 885708732 /nfs/dbraw/zinc/70/87/32/885708732.db2.gz YYVQNAMOOALAJC-UHFFFAOYSA-N 0 0 383.492 3.727 20 10 GHCDRN CNC(=O)c1ccc(OCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 ZINC000915118151 885807381 /nfs/dbraw/zinc/80/73/81/885807381.db2.gz RURIYDMTCMXSCG-UHFFFAOYSA-N 0 0 380.419 3.855 20 10 GHCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc(Oc2ccccc2Cl)nc1 ZINC000762267358 885906825 /nfs/dbraw/zinc/90/68/25/885906825.db2.gz GQSYTCROEPOWPB-UHFFFAOYSA-N 0 0 384.819 3.911 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2C[C@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000861843732 885920507 /nfs/dbraw/zinc/92/05/07/885920507.db2.gz DASLKJKSKZZZDT-JTHBVZDNSA-N 0 0 378.472 3.690 20 10 GHCDRN CC(=O)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000808013843 885936492 /nfs/dbraw/zinc/93/64/92/885936492.db2.gz RQRJZCUVOQDTEZ-UHFFFAOYSA-N 0 0 385.876 3.897 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000861885680 885949938 /nfs/dbraw/zinc/94/99/38/885949938.db2.gz DXAZNQSFFJQQJC-BHDDXSALSA-N 0 0 380.488 3.672 20 10 GHCDRN CC(=O)C(=O)CSc1nnc(-c2cccs2)n1-c1ccc(Cl)cc1 ZINC000808026023 885951193 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CCN(CC)c1ccc(CNC(=O)CN(C)c2nc3ccccc3s2)cc1 ZINC000919749032 886282782 /nfs/dbraw/zinc/28/27/82/886282782.db2.gz DNXQQBUTDRGCLX-UHFFFAOYSA-N 0 0 382.533 3.895 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2cccc(S(C)(=O)=O)c2)cc1 ZINC000915334207 886339633 /nfs/dbraw/zinc/33/96/33/886339633.db2.gz DVOUAFFCTBPWHZ-UHFFFAOYSA-N 0 0 389.521 3.600 20 10 GHCDRN Cc1cc(C(=O)N2CC[S@](=O)C[C@H](C)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000762550096 886373462 /nfs/dbraw/zinc/37/34/62/886373462.db2.gz YNKQKHDYUQEIAI-SHZVTRLKSA-N 0 0 378.925 3.588 20 10 GHCDRN Cc1cc(C(=O)N2CC[S@](=O)C[C@@H](C)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000762550094 886374128 /nfs/dbraw/zinc/37/41/28/886374128.db2.gz YNKQKHDYUQEIAI-CANCMXDXSA-N 0 0 378.925 3.588 20 10 GHCDRN C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000118954240 886393753 /nfs/dbraw/zinc/39/37/53/886393753.db2.gz WEWJHGNUYNOYLI-IERDGZPVSA-N 0 0 383.467 3.513 20 10 GHCDRN Cc1cnc(COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)nc1 ZINC000808487337 886396671 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COc1ccc(CCC(=O)NCc2cc(C)ccc2O)cc1Br ZINC000862759976 886587056 /nfs/dbraw/zinc/58/70/56/886587056.db2.gz OGSTVUQNSQPVCV-UHFFFAOYSA-N 0 0 378.266 3.721 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)NCc3ccc(CO)c(F)c3)c2C)cc1 ZINC000762710734 886755867 /nfs/dbraw/zinc/75/58/67/886755867.db2.gz PHQVGDSBMOAXFV-UHFFFAOYSA-N 0 0 382.435 3.664 20 10 GHCDRN COC(=O)C[C@@H](C)CC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000808808115 886810125 /nfs/dbraw/zinc/81/01/25/886810125.db2.gz SLMMXDVMCAAEIA-CABCVRRESA-N 0 0 380.916 3.782 20 10 GHCDRN Cc1c(Br)c(N[C@@H](C)Cc2ccc(O)c(O)c2)ncc1[N+](=O)[O-] ZINC000762799948 886832043 /nfs/dbraw/zinc/83/20/43/886832043.db2.gz FVVNIIBGVMIXNM-QMMMGPOBSA-N 0 0 382.214 3.515 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2nnc(/C=C/c3ccco3)s2)c1 ZINC000119275665 886873812 /nfs/dbraw/zinc/87/38/12/886873812.db2.gz GJAGHXJTTUIEGM-LXSSAFMLSA-N 0 0 386.433 3.898 20 10 GHCDRN CCNC(=O)c1ccc(C)c(NC(=O)NCc2ccc(N(CC)CC)cc2)c1 ZINC000193576331 886874805 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C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c(Br)c2)CC[C@H]1C(=O)[O-] ZINC000863742430 887354685 /nfs/dbraw/zinc/35/46/85/887354685.db2.gz VYPANCPONHLLCP-GDBMZVCRSA-N 0 0 395.341 3.982 20 10 GHCDRN CN(C)c1ccc(CN[C@@H](C(N)=O)c2ccc(Cl)cc2)c(C(F)(F)F)c1 ZINC001184327774 913153487 /nfs/dbraw/zinc/15/34/87/913153487.db2.gz JUTNJTZCOKMBPZ-MRXNPFEDSA-N 0 0 385.817 3.741 20 10 GHCDRN C[C@@H](NC(=O)NC1(c2cccc(F)c2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000119752446 887487577 /nfs/dbraw/zinc/48/75/77/887487577.db2.gz BVSYOGPACGVPMK-MRXNPFEDSA-N 0 0 383.467 3.712 20 10 GHCDRN Cc1cc(C(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)c(C)n1-c1cccc(C)c1 ZINC000130939417 887489949 /nfs/dbraw/zinc/48/99/49/887489949.db2.gz UONIHJLCDKWVCQ-RXVVDRJESA-N 0 0 379.504 3.533 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1c(C)oc2ccccc21 ZINC000809499002 887493700 /nfs/dbraw/zinc/49/37/00/887493700.db2.gz XWPJZKVHSYATOO-UHFFFAOYSA-N 0 0 380.444 3.502 20 10 GHCDRN CCOC(=O)c1cc2cc(S(=O)(=O)Nc3ccc(O)cc3F)ccc2s1 ZINC000794594817 887606947 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GHCDRN C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000815560841 894001103 /nfs/dbraw/zinc/00/11/03/894001103.db2.gz RQNFOLWZYXHBDS-CYBMUJFWSA-N 0 0 396.409 3.729 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)c2ccccc2-n2cccn2)c1 ZINC000126891127 894008730 /nfs/dbraw/zinc/00/87/30/894008730.db2.gz LUULKOLYKYATAK-CABCVRRESA-N 0 0 380.448 3.708 20 10 GHCDRN O=C(Cc1cscc1Br)NCCCSc1nccs1 ZINC000815590984 894030955 /nfs/dbraw/zinc/03/09/55/894030955.db2.gz RIBZNJJBKNJLNF-UHFFFAOYSA-N 0 0 377.354 3.808 20 10 GHCDRN COC(=O)N1CCN(c2ccc(N[C@H](C)c3cc(Cl)ccc3O)cn2)CC1 ZINC000815654705 894068596 /nfs/dbraw/zinc/06/85/96/894068596.db2.gz VSYQCKJAHUBTLI-CYBMUJFWSA-N 0 0 390.871 3.502 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cnc2c(F)cccc2c1 ZINC000815655336 894068913 /nfs/dbraw/zinc/06/89/13/894068913.db2.gz PCXMKXKJQBUIJB-UHFFFAOYSA-N 0 0 393.462 3.513 20 10 GHCDRN COc1c([O-])c(C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774869581 913840956 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GHCDRN COc1ccc(CNC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)cc1OC ZINC001135550804 894764251 /nfs/dbraw/zinc/76/42/51/894764251.db2.gz OHFOGTPDKXLXGP-UHFFFAOYSA-N 0 0 392.455 3.854 20 10 GHCDRN O=C(NC1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1)c1ccc(F)cc1 ZINC000816484824 894853239 /nfs/dbraw/zinc/85/32/39/894853239.db2.gz PTGXAQWZDYIPOI-UHFFFAOYSA-N 0 0 380.822 3.718 20 10 GHCDRN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816515506 894893670 /nfs/dbraw/zinc/89/36/70/894893670.db2.gz BJCAVVCDTILCCF-LLVKDONJSA-N 0 0 396.812 3.808 20 10 GHCDRN Cc1ccc(C(=O)N2CCOCC2)cc1NCc1ccc2ccccc2c1O ZINC000816523964 894922451 /nfs/dbraw/zinc/92/24/51/894922451.db2.gz KYRCYWHUURZSQT-UHFFFAOYSA-N 0 0 376.456 3.938 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N3CCCC[C@@H](SC)C3)CC2)cc1 ZINC000127627455 894944417 /nfs/dbraw/zinc/94/44/17/894944417.db2.gz IBQFVCDDSDIEIT-LJQANCHMSA-N 0 0 377.554 3.591 20 10 GHCDRN CC[C@@H]1NC(=O)N(c2cccc(NCc3cc(Cl)c(F)cc3O)c2)C1=O ZINC000816596870 894961061 /nfs/dbraw/zinc/96/10/61/894961061.db2.gz VEJWBTXQTPOLDI-HNNXBMFYSA-N 0 0 377.803 3.632 20 10 GHCDRN CN(C)c1ccc(CNC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1 ZINC001135642620 894970235 /nfs/dbraw/zinc/97/02/35/894970235.db2.gz JROJIGKJRNSPDE-UHFFFAOYSA-N 0 0 399.292 3.835 20 10 GHCDRN Cc1cc(C(=O)N[C@H](C(N)=O)[C@H](C)c2ccccc2)c(C)n1-c1cccc(C)c1 ZINC000816801904 895088645 /nfs/dbraw/zinc/08/86/45/895088645.db2.gz WTBPSRXZAZZAFE-VGSWGCGISA-N 0 0 389.499 3.790 20 10 GHCDRN COc1c(NC(=O)N[C@H](C)c2ccccc2O)cc(Cl)cc1C(=O)N(C)C ZINC000879524964 895108723 /nfs/dbraw/zinc/10/87/23/895108723.db2.gz QWAFLCCNUJDRHL-LLVKDONJSA-N 0 0 391.855 3.639 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3ncsc3C(C)C)CC2)c(OC)c1 ZINC000879597877 895161517 /nfs/dbraw/zinc/16/15/17/895161517.db2.gz XOEZNSQUAZXZRU-UHFFFAOYSA-N 0 0 390.509 3.638 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)/C=C/COc3ccccc3)cc2F)C[C@@H](C)O1 ZINC000816890851 895166191 /nfs/dbraw/zinc/16/61/91/895166191.db2.gz AGAOOJFFOIDYAW-OKMWKSJFSA-N 0 0 398.478 3.691 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc2oc(=O)[nH]c21 ZINC000816941186 895227601 /nfs/dbraw/zinc/22/76/01/895227601.db2.gz YZIMSVYVEWAEER-UHFFFAOYSA-N 0 0 391.221 3.664 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cn(C)nc1Br ZINC000880044270 895475650 /nfs/dbraw/zinc/47/56/50/895475650.db2.gz COBLLAZINQOJRC-UHFFFAOYSA-N 0 0 394.317 3.691 20 10 GHCDRN CN(C(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000817705573 895826253 /nfs/dbraw/zinc/82/62/53/895826253.db2.gz HTECMONEHKUYHR-UXHICEINSA-N 0 0 385.552 3.576 20 10 GHCDRN COc1ccc(C(=O)CCC(=O)N(C)Cc2ccc(N3CCCC3)cc2)cc1 ZINC001136025303 895925263 /nfs/dbraw/zinc/92/52/63/895925263.db2.gz FPVDTAHAUOCUQT-UHFFFAOYSA-N 0 0 380.488 3.917 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)c1 ZINC000128651716 895933560 /nfs/dbraw/zinc/93/35/60/895933560.db2.gz RKJRLMMGQXNUCE-CQSZACIVSA-N 0 0 390.439 3.889 20 10 GHCDRN CC(C)[C@H](NC(=O)c1csc(Cc2ccc(N)cc2)n1)c1nc(C2CC2)no1 ZINC000817933493 895965255 /nfs/dbraw/zinc/96/52/55/895965255.db2.gz GYVGURUYFSOJLP-KRWDZBQOSA-N 0 0 397.504 3.704 20 10 GHCDRN C[C@@H]([NH2+]CCCNCc1cccnc1)c1cc(Br)cc(F)c1[O-] ZINC000817939265 895968503 /nfs/dbraw/zinc/96/85/03/895968503.db2.gz BRXBPNCLNQZPER-GFCCVEGCSA-N 0 0 382.277 3.519 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Nc3cncc(C(F)F)c3)CC2)cc1 ZINC000880915550 895992493 /nfs/dbraw/zinc/99/24/93/895992493.db2.gz QWXRHRITKZBMBY-UHFFFAOYSA-N 0 0 376.407 3.772 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3cnccc3C(F)(F)F)CC2)cc1F ZINC000880968901 896034640 /nfs/dbraw/zinc/03/46/40/896034640.db2.gz DUTNIUWKVTYEIP-UHFFFAOYSA-N 0 0 398.360 3.602 20 10 GHCDRN C[C@@H](NC(=O)Nc1cnccc1C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000880971591 896037109 /nfs/dbraw/zinc/03/71/09/896037109.db2.gz JORCGPCTJXFCBE-CYBMUJFWSA-N 0 0 394.397 3.820 20 10 GHCDRN FC(F)Oc1ccc(N2CCC[C@@H](N[C@@H](c3nc[nH]n3)c3ccccc3)C2)cc1 ZINC000289148606 914057051 /nfs/dbraw/zinc/05/70/51/914057051.db2.gz GDNSZXFDXLJNGF-VQIMIIECSA-N 0 0 399.445 3.754 20 10 GHCDRN CC(C)(CN1C(=O)CN(Cc2ccccc2O)C1=O)c1ccc(F)cc1Cl ZINC000819167472 896441607 /nfs/dbraw/zinc/44/16/07/896441607.db2.gz BGAFFKJRLIVLAC-UHFFFAOYSA-N 0 0 390.842 3.927 20 10 GHCDRN O=C(Cc1ccc(Oc2ccc(F)cc2)cc1)NCC(=O)c1ccc(O)c(O)c1 ZINC001185790914 914082800 /nfs/dbraw/zinc/08/28/00/914082800.db2.gz RNQDUPCAIYUOLZ-UHFFFAOYSA-N 0 0 395.386 3.571 20 10 GHCDRN COCCOc1ccccc1NC[C@H](O)COc1ccc(Cl)cc1Cl ZINC000819424099 896721646 /nfs/dbraw/zinc/72/16/46/896721646.db2.gz IPUQBYMOEVMWIK-AWEZNQCLSA-N 0 0 386.275 3.870 20 10 GHCDRN O[C@@H](CNc1ccccc1OC[C@@H]1CCCCO1)COCc1ccccc1F ZINC000819425678 896725969 /nfs/dbraw/zinc/72/59/69/896725969.db2.gz GUFLZKHYJLPPHE-OALUTQOASA-N 0 0 389.467 3.763 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)cc1 ZINC000819578319 896819587 /nfs/dbraw/zinc/81/95/87/896819587.db2.gz GQALVYOXAYQWMI-CYBMUJFWSA-N 0 0 389.839 3.513 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)CCc3ccc4ccccc4n3)C2)cc1 ZINC000819580407 896822199 /nfs/dbraw/zinc/82/21/99/896822199.db2.gz JCZLRGWMHBJEBT-GOSISDBHSA-N 0 0 389.499 3.819 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)CCC(=O)c3ccc(C)cc3)C2)cc1 ZINC000819580167 896822481 /nfs/dbraw/zinc/82/24/81/896822481.db2.gz GLTVIYAZNFQTLY-GOSISDBHSA-N 0 0 380.488 3.609 20 10 GHCDRN CCc1ccc(C(=O)CCC(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000819580877 896823990 /nfs/dbraw/zinc/82/39/90/896823990.db2.gz PJFOSMKASZNADE-IBGZPJMESA-N 0 0 394.515 3.863 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)CCCOCc3ccccc3)C2)cc1 ZINC000819582595 896827667 /nfs/dbraw/zinc/82/76/67/896827667.db2.gz NUXZMNZZVXRBIC-FQEVSTJZSA-N 0 0 382.504 3.635 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)CCCOCc3ccccc3)C2)cc1 ZINC000819582597 896827857 /nfs/dbraw/zinc/82/78/57/896827857.db2.gz NUXZMNZZVXRBIC-HXUWFJFHSA-N 0 0 382.504 3.635 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)CCCOc3ccccc3F)C2)cc1 ZINC000819583064 896829344 /nfs/dbraw/zinc/82/93/44/896829344.db2.gz OLZUFEDOGPWRLL-QGZVFWFLSA-N 0 0 386.467 3.636 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)C[C@@H](C)C(=O)c3cccc(F)c3)C2)cc1 ZINC000819585151 896834311 /nfs/dbraw/zinc/83/43/11/896834311.db2.gz XBFXRVDZJVOKQG-IAGOWNOFSA-N 0 0 398.478 3.686 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cnn(C4CCCCC4)c3C)C2)cc1 ZINC000819585829 896836414 /nfs/dbraw/zinc/83/64/14/896836414.db2.gz IHDWETMVWJWREE-SFHVURJKSA-N 0 0 396.535 3.962 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)CC(=O)c3ccccc3F)C2)cc1 ZINC000819585577 896836630 /nfs/dbraw/zinc/83/66/30/896836630.db2.gz ZDILSUBNESHFFU-IAGOWNOFSA-N 0 0 398.478 3.686 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)Cc3nc(C(C)C)c(C)s3)C2)cc1 ZINC000819586606 896836797 /nfs/dbraw/zinc/83/67/97/896836797.db2.gz AIBIBNRNZKLVPI-MRXNPFEDSA-N 0 0 387.549 3.769 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000025370970 896868783 /nfs/dbraw/zinc/86/87/83/896868783.db2.gz MEBBWEGEYOPYJY-UHFFFAOYSA-N 0 0 376.497 3.778 20 10 GHCDRN CCS[C@@H]1CC[C@@H](N(C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000129886140 896920700 /nfs/dbraw/zinc/92/07/00/896920700.db2.gz MUOTVBPBVXOHRX-PWIZWCRZSA-N 0 0 391.581 3.900 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)NCc3ccc(NC(C)=O)cc3)c2C)cc1 ZINC000025556536 896930632 /nfs/dbraw/zinc/93/06/32/896930632.db2.gz DJOHTRIPBIMPMF-UHFFFAOYSA-N 0 0 391.471 3.991 20 10 GHCDRN COC(OC)[C@H](C)NC(=O)c1cc(C)n(-c2ccccc2Br)c1C ZINC000819813678 896998828 /nfs/dbraw/zinc/99/88/28/896998828.db2.gz HAODCVSJFDDJCI-LBPRGKRZSA-N 0 0 395.297 3.594 20 10 GHCDRN COc1c([O-])c(C[NH2+][C@@H](C)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000774941762 914119711 /nfs/dbraw/zinc/11/97/11/914119711.db2.gz DAHUCYSDIKZWNM-JTQLQIEISA-N 0 0 381.226 3.922 20 10 GHCDRN CC(C)(C)NC(=O)c1cccc(NC(=O)NCCCSc2nccs2)c1 ZINC000130290055 897051246 /nfs/dbraw/zinc/05/12/46/897051246.db2.gz BGEFBJADDJMSHM-UHFFFAOYSA-N 0 0 392.550 3.975 20 10 GHCDRN O=C1/C(=C\c2ccccc2OC(F)(F)F)SC(=S)N1Cc1ccon1 ZINC000130341647 897062426 /nfs/dbraw/zinc/06/24/26/897062426.db2.gz OEGYZKMVVLLKEQ-KPKJPENVSA-N 0 0 386.376 3.975 20 10 GHCDRN O=C1/C(=C\c2cc(Br)cs2)SC(=S)N1Cc1ccon1 ZINC000130354536 897064521 /nfs/dbraw/zinc/06/45/21/897064521.db2.gz HWCYKLYSIKVEDR-ONNFQVAWSA-N 0 0 387.305 3.900 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(C(F)(F)F)c(=O)[nH]2)cc1 ZINC000819974126 897065641 /nfs/dbraw/zinc/06/56/41/897065641.db2.gz IEIMTPMZXLPWGQ-UHFFFAOYSA-N 0 0 381.398 3.924 20 10 GHCDRN COc1ccccc1[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccco1 ZINC000130461949 897093934 /nfs/dbraw/zinc/09/39/34/897093934.db2.gz NBXPNLAAKHEABN-OAQYLSRUSA-N 0 0 379.460 3.943 20 10 GHCDRN CCC(O)(CC)C(C)(C)CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000820104217 897159668 /nfs/dbraw/zinc/15/96/68/897159668.db2.gz MRLPQEMIRMMCAM-GOSISDBHSA-N 0 0 392.540 3.660 20 10 GHCDRN COc1ccccc1[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000883004704 897200137 /nfs/dbraw/zinc/20/01/37/897200137.db2.gz SFUOCIQJCYLXQT-CQSZACIVSA-N 0 0 386.673 3.640 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3cc(Cl)c(N)c(Cl)c3)CC2)cc1 ZINC000131041979 897304038 /nfs/dbraw/zinc/30/40/38/897304038.db2.gz VJAQCQOXNNPQHP-UHFFFAOYSA-N 0 0 394.302 3.983 20 10 GHCDRN CC(C)c1csc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)n1 ZINC000131121627 897331850 /nfs/dbraw/zinc/33/18/50/897331850.db2.gz AVCFZACUOMPJHQ-UHFFFAOYSA-N 0 0 390.578 3.819 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccc(-c4csnn4)cc3)C2)cc1 ZINC000820411562 897333765 /nfs/dbraw/zinc/33/37/65/897333765.db2.gz GNNCWJAJNIXTFC-MRXNPFEDSA-N 0 0 395.488 3.614 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(NC(C)=O)cc(C(F)(F)F)c2)c1 ZINC000131216873 897367901 /nfs/dbraw/zinc/36/79/01/897367901.db2.gz IMUXXMQSXNBWJQ-SNVBAGLBSA-N 0 0 396.365 3.869 20 10 GHCDRN C[C@H](NC(=O)NCc1nsc2ccccc12)c1ccc(N2CCOCC2)cc1 ZINC000883208317 897372778 /nfs/dbraw/zinc/37/27/78/897372778.db2.gz CYTJHBJRTAIQDA-HNNXBMFYSA-N 0 0 396.516 3.693 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3cc(OC)ccc3OC(C)C)C2)cc1 ZINC000820946023 897627739 /nfs/dbraw/zinc/62/77/39/897627739.db2.gz JUWDATRMAQGKIC-INIZCTEOSA-N 0 0 399.491 3.891 20 10 GHCDRN CN1CCCc2cc(CNC(=O)[C@H]3CCCCN3Cc3ccc(F)cc3)ccc21 ZINC001136436334 897844870 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CCCOc1ccc(CN(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(O)c1 ZINC000179941532 906639588 /nfs/dbraw/zinc/63/95/88/906639588.db2.gz OPXNCXBPICYDKF-HNNXBMFYSA-N 0 0 377.506 3.778 20 10 GHCDRN Cn1nc(C(F)(F)F)cc1Nc1c(N)ccc2c1C(=O)c1ccccc1C2=O ZINC001174327658 906986677 /nfs/dbraw/zinc/98/66/77/906986677.db2.gz YLGZKKQHEZJPQW-UHFFFAOYSA-N 0 0 386.333 3.540 20 10 GHCDRN Cn1cc(Nc2ccc(Br)cc2C(=O)c2ccccn2)ccc1=O ZINC001174359906 907003894 /nfs/dbraw/zinc/00/38/94/907003894.db2.gz SGGZZZDTLZJAFX-UHFFFAOYSA-N 0 0 384.233 3.517 20 10 GHCDRN CN(CCN(C)c1ccc(Nc2ccc3ncnn3c2)cc1)c1ccc(N)cc1 ZINC001174376359 907010510 /nfs/dbraw/zinc/01/05/10/907010510.db2.gz UQEUCVVXEBQXLP-UHFFFAOYSA-N 0 0 387.491 3.628 20 10 GHCDRN CCOC(=O)/C=C\c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000779432324 907045552 /nfs/dbraw/zinc/04/55/52/907045552.db2.gz RFKNBLMGBDYOMO-POHAHGRESA-N 0 0 384.451 3.851 20 10 GHCDRN CC(C)Oc1ccc(N(C)CC(=O)Nc2cccc(N3CCCC3=O)c2)cc1 ZINC000191583911 907091030 /nfs/dbraw/zinc/09/10/30/907091030.db2.gz YTAUEQUGOUSDIY-UHFFFAOYSA-N 0 0 381.476 3.676 20 10 GHCDRN COc1cc(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc(OC)c1OC ZINC000182707265 907254321 /nfs/dbraw/zinc/25/43/21/907254321.db2.gz RMXBIEPNPXUSOV-AWEZNQCLSA-N 0 0 390.455 3.861 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1cccc(COCc2ccco2)c1 ZINC000779495715 907315194 /nfs/dbraw/zinc/31/51/94/907315194.db2.gz HXADOINHNXFBMV-CLFYSBASSA-N 0 0 379.412 3.737 20 10 GHCDRN COc1cc(CNC(=O)/C=C\c2ccc(O)c(O)c2)ccc1OCCC(C)C ZINC000779498920 907317978 /nfs/dbraw/zinc/31/79/78/907317978.db2.gz GRYLICOWAXPTEX-TWGQIWQCSA-N 0 0 385.460 3.861 20 10 GHCDRN COc1cc(F)cc(Nc2c(CC(N)=O)cccc2C(=O)c2ccccc2)c1 ZINC001175009340 907322651 /nfs/dbraw/zinc/32/26/51/907322651.db2.gz QMJZSBCMEZWWBB-UHFFFAOYSA-N 0 0 378.403 3.837 20 10 GHCDRN COc1ccc(N[C@@H](C)c2ccc(N(C)C)cc2)cc1OCC(=O)NC1CC1 ZINC000183128514 907332737 /nfs/dbraw/zinc/33/27/37/907332737.db2.gz RANBHRNEXLCLQJ-HNNXBMFYSA-N 0 0 383.492 3.592 20 10 GHCDRN COC[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000773440818 907354876 /nfs/dbraw/zinc/35/48/76/907354876.db2.gz GKCXWCDJKAFNEH-ORAYPTAESA-N 0 0 377.435 3.779 20 10 GHCDRN Cc1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1O ZINC000779512900 907357520 /nfs/dbraw/zinc/35/75/20/907357520.db2.gz YEUIDPQNERLWEI-UHFFFAOYSA-N 0 0 376.403 3.701 20 10 GHCDRN CCOc1ccc(N(CC(=O)NCc2ccc(N(C)C)cc2)CC2CC2)cc1 ZINC001175372663 907523851 /nfs/dbraw/zinc/52/38/51/907523851.db2.gz XLOIWOQIMRHFJK-UHFFFAOYSA-N 0 0 381.520 3.684 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)Nc3cc(C(F)(F)F)ccn3)CC2)cc1 ZINC000192424548 907645832 /nfs/dbraw/zinc/64/58/32/907645832.db2.gz NROGKISOFHKGGG-UHFFFAOYSA-N 0 0 394.397 3.900 20 10 GHCDRN CCNC(=O)c1ccc(Nc2ccc(C(=O)Oc3ccc(N)cc3)cc2)cc1 ZINC001175634021 907651038 /nfs/dbraw/zinc/65/10/38/907651038.db2.gz QPWXPYCLOBIISF-UHFFFAOYSA-N 0 0 375.428 3.981 20 10 GHCDRN C[C@@H](CCCO)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000185688862 907813943 /nfs/dbraw/zinc/81/39/43/907813943.db2.gz VHXMVBBPLJXXBR-IUCAKERBSA-N 0 0 381.108 3.729 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1sccc1-n1cccc1 ZINC000192652931 907819732 /nfs/dbraw/zinc/81/97/32/907819732.db2.gz STPYEQVTTJPRPV-UHFFFAOYSA-N 0 0 381.501 3.648 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccc(N2CCNC2=O)cc1 ZINC001175969826 907844093 /nfs/dbraw/zinc/84/40/93/907844093.db2.gz RZPPWXAVVYRASF-UHFFFAOYSA-N 0 0 394.500 3.615 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1 ZINC000186409026 907921063 /nfs/dbraw/zinc/92/10/63/907921063.db2.gz RGVGKAACJOWXSO-CHWSQXEVSA-N 0 0 385.489 3.516 20 10 GHCDRN CCN(C)C(=O)c1cccc(Nc2cccc3c2C(=O)c2cccc(N)c2C3=O)c1 ZINC001176469619 908125348 /nfs/dbraw/zinc/12/53/48/908125348.db2.gz HVVSWIWEDIHRLU-UHFFFAOYSA-N 0 0 399.450 3.880 20 10 GHCDRN CCN(CC)c1ccc(CNc2ccc(CN3CCN(C(C)=O)CC3)cc2)cc1 ZINC000777439891 908168367 /nfs/dbraw/zinc/16/83/67/908168367.db2.gz QEEFGQODCSYHCT-UHFFFAOYSA-N 0 0 394.563 3.809 20 10 GHCDRN CN(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCc2ccccc21 ZINC000193378572 908314026 /nfs/dbraw/zinc/31/40/26/908314026.db2.gz JIVRKVFBCAVSLG-NRFANRHFSA-N 0 0 397.494 3.616 20 10 GHCDRN C[C@H](NC(=O)N1CCc2c(cnn2-c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000773616158 908419271 /nfs/dbraw/zinc/41/92/71/908419271.db2.gz ITQKQMXIZVICCF-KRWDZBQOSA-N 0 0 389.503 3.767 20 10 GHCDRN CC(=O)N1CC[C@@H](NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c2ccccc21 ZINC000773623403 908454109 /nfs/dbraw/zinc/45/41/09/908454109.db2.gz IFDQSUZLVUAXET-MGPUTAFESA-N 0 0 380.492 3.611 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]CCCN1CCc2ccccc21 ZINC001177175988 908458215 /nfs/dbraw/zinc/45/82/15/908458215.db2.gz TXOFCLRUFOFHHM-UHFFFAOYSA-N 0 0 379.273 3.836 20 10 GHCDRN C[C@H](NC(=O)N[C@@H](c1nccn1C)c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000773626098 908462274 /nfs/dbraw/zinc/46/22/74/908462274.db2.gz MECZHAOEKALNHK-MGPUTAFESA-N 0 0 395.482 3.775 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc2ncsc2c1 ZINC000193573859 908521641 /nfs/dbraw/zinc/52/16/41/908521641.db2.gz MRGDQRMNFKAUFK-UHFFFAOYSA-N 0 0 386.452 3.594 20 10 GHCDRN COc1cccc(C)c1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 ZINC000773662938 908557484 /nfs/dbraw/zinc/55/74/84/908557484.db2.gz WJKSLWFUEGYIGI-UHFFFAOYSA-N 0 0 381.476 3.890 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)Cc1c(F)c(F)nc(F)c1F ZINC001177484780 908595145 /nfs/dbraw/zinc/59/51/45/908595145.db2.gz XMLPEJSWUIDDJR-QGZVFWFLSA-N 0 0 396.384 3.943 20 10 GHCDRN CCCOc1ccc(CNc2ccc(Cc3nnc4n3CCC4)cc2)c(O)c1 ZINC000191649598 908656704 /nfs/dbraw/zinc/65/67/04/908656704.db2.gz SRCCXEVWDXKGIJ-UHFFFAOYSA-N 0 0 378.476 3.922 20 10 GHCDRN COc1cccc(-c2cc(NCc3c(C)c4ccccc4n3C)n(CCO)n2)c1 ZINC001177642039 908659793 /nfs/dbraw/zinc/65/97/93/908659793.db2.gz SGTPTAHLFKHGLP-UHFFFAOYSA-N 0 0 390.487 3.963 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+]C2CCN(C(=O)CC(C)C)CC2)c1 ZINC001177647031 908700498 /nfs/dbraw/zinc/70/04/98/908700498.db2.gz VQKBWDADUARZSH-UHFFFAOYSA-N 0 0 383.330 3.590 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000801730055 921431840 /nfs/dbraw/zinc/43/18/40/921431840.db2.gz DGHWQBQXOFBNIU-UHFFFAOYSA-N 0 0 379.464 3.866 20 10 GHCDRN O=C(COc1nc(Cl)c(Cl)cc1Cl)N1CCc2cccc(O)c2C1 ZINC001177755852 908739500 /nfs/dbraw/zinc/73/95/00/908739500.db2.gz JVEOERHUZMZXAX-UHFFFAOYSA-N 0 0 387.650 3.711 20 10 GHCDRN CC(C)Oc1ccc(N(C)C(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)cc1 ZINC000192265064 908748153 /nfs/dbraw/zinc/74/81/53/908748153.db2.gz MZMPKUWNULVISA-IZZDOVSWSA-N 0 0 394.475 3.769 20 10 GHCDRN CCCOc1ccccc1NC(=O)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000194015605 908838569 /nfs/dbraw/zinc/83/85/69/908838569.db2.gz ZKABOGZWJGNPFQ-UHFFFAOYSA-N 0 0 383.492 3.529 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(-c2cccs2)on1 ZINC000194057928 908855832 /nfs/dbraw/zinc/85/58/32/908855832.db2.gz BVEYYWIGHOMGRQ-UHFFFAOYSA-N 0 0 397.500 3.542 20 10 GHCDRN C[C@H]1CC(CCNC(=O)NCc2ccc(N3CCSCC3)cc2)C[C@H](C)O1 ZINC000801745171 921446393 /nfs/dbraw/zinc/44/63/93/921446393.db2.gz BLCKVXNMDBRCMG-IRXDYDNUSA-N 0 0 391.581 3.633 20 10 GHCDRN COc1cccc(C2(C(=O)N[C@@H]3c4c(c(C)cc(C)c4O)CC3(C)C)CC2)n1 ZINC001178053699 908868438 /nfs/dbraw/zinc/86/84/38/908868438.db2.gz KSMWZCPILDXDKX-HXUWFJFHSA-N 0 0 380.488 3.884 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3sccc3-n3cccc3)CC2)cc1 ZINC000194409822 908879229 /nfs/dbraw/zinc/87/92/29/908879229.db2.gz WPUGCVPBRPHTOI-UHFFFAOYSA-N 0 0 381.501 3.900 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCN(c3ccccc3OC)CC2)cc1 ZINC000195565104 909020887 /nfs/dbraw/zinc/02/08/87/909020887.db2.gz YWCQBXFPHABYOI-UHFFFAOYSA-N 0 0 396.535 3.573 20 10 GHCDRN O=C(NCc1c(O)cccc1F)c1cc2c(ccc(F)c2Br)[nH]1 ZINC001178413039 909048735 /nfs/dbraw/zinc/04/87/35/909048735.db2.gz LIVLJMHXTLTXFM-UHFFFAOYSA-N 0 0 381.176 3.844 20 10 GHCDRN O=C(NCc1c(O)cccc1F)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC001178413443 909049640 /nfs/dbraw/zinc/04/96/40/909049640.db2.gz RVVGGVJFRPUPQG-OAQYLSRUSA-N 0 0 390.414 3.545 20 10 GHCDRN CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001178521338 909087362 /nfs/dbraw/zinc/08/73/62/909087362.db2.gz ORRCKTGVHNFBIC-FQEVSTJZSA-N 0 0 388.511 3.544 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(OCc2ccccc2)ccc1O ZINC000773760265 909134802 /nfs/dbraw/zinc/13/48/02/909134802.db2.gz FURQDHWJNIBJCD-HNNXBMFYSA-N 0 0 393.439 3.743 20 10 GHCDRN COc1ccccc1-c1nc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cs1 ZINC000773762370 909172490 /nfs/dbraw/zinc/17/24/90/909172490.db2.gz YMHITFPJYJHXSN-LBPRGKRZSA-N 0 0 384.457 3.591 20 10 GHCDRN Cc1ccc(/C=C/C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(Br)c1 ZINC000773763687 909193772 /nfs/dbraw/zinc/19/37/72/909193772.db2.gz YLQSORJKILZBQA-CFNZNRNTSA-N 0 0 390.277 3.929 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H](COc2ccccc2)C1 ZINC000779979786 909209342 /nfs/dbraw/zinc/20/93/42/909209342.db2.gz FPQNMIPJKDSNAY-HXUWFJFHSA-N 0 0 379.504 3.897 20 10 GHCDRN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000773768464 909213576 /nfs/dbraw/zinc/21/35/76/909213576.db2.gz GBKLJLVELIGOPE-GFCCVEGCSA-N 0 0 390.505 3.813 20 10 GHCDRN Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccc(N3CCOCC3)cc1)[C@H](C)C2 ZINC000779985508 909214884 /nfs/dbraw/zinc/21/48/84/909214884.db2.gz ADPBLANYSJAJCD-VGSWGCGISA-N 0 0 379.504 3.564 20 10 GHCDRN COc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)s2)cc1 ZINC000773769562 909221116 /nfs/dbraw/zinc/22/11/16/909221116.db2.gz ZSXIJKAWUVRUNP-LBPRGKRZSA-N 0 0 398.484 3.899 20 10 GHCDRN O=C(NCc1c(O)cccc1O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC001178911386 909310266 /nfs/dbraw/zinc/31/02/66/909310266.db2.gz MOVRKOQLAWPZFU-UHFFFAOYSA-N 0 0 378.215 3.520 20 10 GHCDRN Nc1ccc(NC(=O)Nc2ccc(NC(=O)[C@H]3Cc4ccccc4O3)cc2)cc1 ZINC001178942581 909326973 /nfs/dbraw/zinc/32/69/73/909326973.db2.gz UVFJGDYBWWRRRS-HXUWFJFHSA-N 0 0 388.427 3.855 20 10 GHCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC001179158975 909405709 /nfs/dbraw/zinc/40/57/09/909405709.db2.gz FIPCSEPRTIDYBP-MRXNPFEDSA-N 0 0 385.266 3.833 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](CC)c1nnc2n1CCCCC2 ZINC000267378477 909473028 /nfs/dbraw/zinc/47/30/28/909473028.db2.gz LBZVMVBGLJVRTR-QGZVFWFLSA-N 0 0 385.512 3.783 20 10 GHCDRN 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CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)cc1 ZINC000803130144 922717601 /nfs/dbraw/zinc/71/76/01/922717601.db2.gz LWKAMWZAQDYRIS-FCHUYYIVSA-N 0 0 393.531 3.554 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000803131618 922719617 /nfs/dbraw/zinc/71/96/17/922719617.db2.gz RWPIUAWGMROIQJ-NHCUHLMSSA-N 0 0 394.515 3.973 20 10 GHCDRN CC(C)[C@@H]([NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-])c1nncn1C ZINC000903065615 922741624 /nfs/dbraw/zinc/74/16/24/922741624.db2.gz RIOQPTRDKXHDTH-NOZJJQNGSA-N 0 0 387.709 3.985 20 10 GHCDRN CCNC(=O)C[C@H]1CCCCN1C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000803645630 923117390 /nfs/dbraw/zinc/11/73/90/923117390.db2.gz OYJRPIRDGPPIQG-LJQANCHMSA-N 0 0 397.519 3.624 20 10 GHCDRN Cc1cc(C(=O)NCCC(=O)NCc2ccccc2)c(C)n1-c1cccc(C)c1 ZINC000748285257 923550389 /nfs/dbraw/zinc/55/03/89/923550389.db2.gz SYFPUUONSOGYCZ-UHFFFAOYSA-N 0 0 389.499 3.839 20 10 GHCDRN CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000748298864 923558254 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O=C1NCCN(Cc2c3c(ccc2O)oc2c3CCCC2)[C@@H]1c1ccccc1 ZINC000748795449 923833866 /nfs/dbraw/zinc/83/38/66/923833866.db2.gz QACZURAZANWGSL-JOCHJYFZSA-N 0 0 376.456 3.690 20 10 GHCDRN Cc1cc(C(=O)COC(=O)Cc2c(C)nn(C)c2C)c(C)n1-c1cccc(F)c1 ZINC000010200091 923921981 /nfs/dbraw/zinc/92/19/81/923921981.db2.gz QAOCKVWYBOIRFN-UHFFFAOYSA-N 0 0 397.450 3.552 20 10 GHCDRN COC(=O)[C@]1(F)CCN(C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)C1 ZINC001137275263 924178953 /nfs/dbraw/zinc/17/89/53/924178953.db2.gz SMVMUTXPHAEWCJ-QFIPXVFZSA-N 0 0 386.467 3.945 20 10 GHCDRN Cc1c(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)nc2ccccn12 ZINC001137276985 924182177 /nfs/dbraw/zinc/18/21/77/924182177.db2.gz GQJAWGQZCKRQAU-UHFFFAOYSA-N 0 0 390.409 3.864 20 10 GHCDRN COC(=O)[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1cccc(OC)c1 ZINC000826986557 924487119 /nfs/dbraw/zinc/48/71/19/924487119.db2.gz WDJAEBRLGMBQME-SFHVURJKSA-N 0 0 396.409 3.784 20 10 GHCDRN CC(C)c1cccc(NC(=O)CN(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000011193335 924687196 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Cc1cc2cc(NC(=O)NCc3c(O)ccc4c3CCCC4)ccc2n(C)c1=O ZINC001117839926 934048662 /nfs/dbraw/zinc/04/86/62/934048662.db2.gz DMNKMPMORSAXLS-UHFFFAOYSA-N 0 0 391.471 3.753 20 10 GHCDRN CCOc1ccc(C(=O)N(C)C)cc1NCc1cc(F)c(N(C)C)cc1F ZINC001118858667 934269120 /nfs/dbraw/zinc/26/91/20/934269120.db2.gz QGDYPYOPKCTZTB-UHFFFAOYSA-N 0 0 377.435 3.743 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)C(=O)Nc2ccccc23)cc1 ZINC000777946382 934302567 /nfs/dbraw/zinc/30/25/67/934302567.db2.gz XJMFWNWGTXJRJU-XMMPIXPASA-N 0 0 385.467 3.830 20 10 GHCDRN O=C(NCc1c(O)cccc1F)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000930935785 934306665 /nfs/dbraw/zinc/30/66/65/934306665.db2.gz VCKPSVYEEJLHSZ-UHFFFAOYSA-N 0 0 383.423 3.542 20 10 GHCDRN O=C(NCc1c(O)cccc1F)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000930954337 934314210 /nfs/dbraw/zinc/31/42/10/934314210.db2.gz UIFLDSMIVVGIRX-UHFFFAOYSA-N 0 0 383.345 3.731 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc(C2CCC(O)CC2)n1Cc1ccccc1 ZINC001122081991 934817575 /nfs/dbraw/zinc/81/75/75/934817575.db2.gz KOLDCORHEYBOHS-UHFFFAOYSA-N 0 0 392.503 3.687 20 10 GHCDRN O=C(Nc1ccc2occc(=O)c2c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001123352755 935167478 /nfs/dbraw/zinc/16/74/78/935167478.db2.gz QFZKJQHWMKCLKE-QGZVFWFLSA-N 0 0 394.427 3.712 20 10 GHCDRN Cc1cc(C(=O)NCCC(=O)N2CCC[C@@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC001124126124 935345637 /nfs/dbraw/zinc/34/56/37/935345637.db2.gz DOLWLRGALMSTFN-QGZVFWFLSA-N 0 0 381.520 3.781 20 10 GHCDRN Cc1ccc(F)c(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 ZINC001125258246 935560152 /nfs/dbraw/zinc/56/01/52/935560152.db2.gz GXGJSGNUKREBIX-HZPDHXFCSA-N 0 0 388.458 3.746 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3ncsc3C3CC3)cc2F)C[C@H](C)O1 ZINC001125258630 935560696 /nfs/dbraw/zinc/56/06/96/935560696.db2.gz NLCACQYVXWWMJQ-BETUJISGSA-N 0 0 389.496 3.703 20 10 GHCDRN CN1CC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)[C@@H]1c1ccc(F)cc1 ZINC001137564662 935589068 /nfs/dbraw/zinc/58/90/68/935589068.db2.gz OZIWOEAOUMAMCN-LIRRHRJNSA-N 0 0 386.448 3.627 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)CCCOc3cccc(C)c3)CC2)cc1 ZINC001137658258 935680986 /nfs/dbraw/zinc/68/09/86/935680986.db2.gz AGNWHRGLSMLYQC-UHFFFAOYSA-N 0 0 382.504 3.902 20 10 GHCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1onc2c1CCCC2 ZINC000829026428 935755872 /nfs/dbraw/zinc/75/58/72/935755872.db2.gz KGSSPDAINFCIJC-ZDUSSCGKSA-N 0 0 391.418 3.554 20 10 GHCDRN Fc1ccc(CN2CCN(c3ccc(OCc4cccnc4)cc3)CC2)cn1 ZINC001137744114 935763648 /nfs/dbraw/zinc/76/36/48/935763648.db2.gz PFZGIGAWRCJMQR-UHFFFAOYSA-N 0 0 378.451 3.517 20 10 GHCDRN O=C(Cc1ccccc1)N1CCC[C@]2(CC[N@@H+](Cc3c([O-])cccc3F)C2)C1 ZINC001137834663 935814111 /nfs/dbraw/zinc/81/41/11/935814111.db2.gz OPCUQBPVZPAJPK-HSZRJFAPSA-N 0 0 382.479 3.589 20 10 GHCDRN COc1cccc(OC)c1CN1CCC([N@H+](C)Cc2c([O-])cccc2F)CC1 ZINC001137837399 935816534 /nfs/dbraw/zinc/81/65/34/935816534.db2.gz FORBIGVVOXIKSA-UHFFFAOYSA-N 0 0 388.483 3.645 20 10 GHCDRN COC(=O)c1cnc2c(c1)CN(Cc1cc(C)n(-c3ccccc3)c1C)CC2 ZINC001137859288 935829664 /nfs/dbraw/zinc/82/96/64/935829664.db2.gz RMXLBNIOEVIMJY-UHFFFAOYSA-N 0 0 375.472 3.834 20 10 GHCDRN COC(=O)c1cnc(S[C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)s1 ZINC000829677736 935844237 /nfs/dbraw/zinc/84/42/37/935844237.db2.gz JXJABHVMSGXENO-ZDUSSCGKSA-N 0 0 376.503 3.753 20 10 GHCDRN COC(=O)c1cnc(SCC(=O)N[C@H](c2cccs2)C(C)(C)C)s1 ZINC000829684029 935844868 /nfs/dbraw/zinc/84/48/68/935844868.db2.gz FXWPIBBMUVVFAX-CYBMUJFWSA-N 0 0 384.548 3.987 20 10 GHCDRN COC(=O)c1cnc(S[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)s1 ZINC000829692884 935846765 /nfs/dbraw/zinc/84/67/65/935846765.db2.gz WLYGATJPQMPNTO-QMMMGPOBSA-N 0 0 388.417 3.650 20 10 GHCDRN Cc1cc(C(=O)CN2CCC[C@@H]2c2nc(C)no2)c(C)n1-c1ccc(Cl)cn1 ZINC000829773964 935859421 /nfs/dbraw/zinc/85/94/21/935859421.db2.gz AFBLXKNLUBWSGH-QGZVFWFLSA-N 0 0 399.882 3.854 20 10 GHCDRN COc1ccc(N(Cc2ccco2)Cc2ccccc2-c2nn[nH]n2)cc1F ZINC000737099638 944959739 /nfs/dbraw/zinc/95/97/39/944959739.db2.gz OMYHGURZYHJYSE-UHFFFAOYSA-N 0 0 379.395 3.814 20 10 GHCDRN Cc1cnc2c(cnn2CC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1 ZINC001625904805 1014356570 /nfs/dbraw/zinc/35/65/70/1014356570.db2.gz AWJMFKMERKSMDZ-UHFFFAOYSA-N 0 0 391.519 3.825 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](CO)CC2CCCC2)CCCC1 ZINC001625952966 1014536187 /nfs/dbraw/zinc/53/61/87/1014536187.db2.gz GQFZTAGRESSRSZ-KRWDZBQOSA-N 0 0 384.520 3.586 20 10 GHCDRN Cc1cc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)cnc1Cl ZINC000760214936 1014587291 /nfs/dbraw/zinc/58/72/91/1014587291.db2.gz CPYCGJYCAAZELX-RIYZIHGNSA-N 0 0 375.906 3.882 20 10 GHCDRN Cn1ccnc1COc1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)cc1 ZINC001625991939 1014644262 /nfs/dbraw/zinc/64/42/62/1014644262.db2.gz ZDMURXGBVKCEPI-UHFFFAOYSA-N 0 0 395.440 3.877 20 10 GHCDRN Cc1ccc2c(c1)CN(C(=O)NCc1ccc(N3CCSCC3)cc1)CC2 ZINC001220761947 1032104985 /nfs/dbraw/zinc/10/49/85/1032104985.db2.gz ODTYTRZQSJKQQI-UHFFFAOYSA-N 0 0 381.545 3.816 20 10 GHCDRN CCCn1ccnc1CCC[N@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001596118334 983452727 /nfs/dbraw/zinc/45/27/27/983452727.db2.gz UCPPERVCKIAKEE-UHFFFAOYSA-N 0 0 386.471 3.687 20 10 GHCDRN CCOc1cc(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)ccc1OC(F)F ZINC001597035271 986469485 /nfs/dbraw/zinc/46/94/85/986469485.db2.gz DMGHKKMLFLPHIX-LLVKDONJSA-N 0 0 381.375 3.941 20 10 GHCDRN CC(C)[C@@]1(C)C[C@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC001220782841 1032119592 /nfs/dbraw/zinc/11/95/92/1032119592.db2.gz PSIHBVQIDTZJKD-IEBWSBKVSA-N 0 0 399.457 3.776 20 10 GHCDRN COc1cccc(SCC[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)c1 ZINC001599684135 990959563 /nfs/dbraw/zinc/95/95/63/990959563.db2.gz MVJJHIJCOIAETK-UHFFFAOYSA-N 0 0 381.881 3.733 20 10 GHCDRN COc1ccc(N(C)CC[N@H+](C)[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc1 ZINC001599584287 993591862 /nfs/dbraw/zinc/59/18/62/993591862.db2.gz PECBOWVQQDAGAF-GOSISDBHSA-N 0 0 396.409 3.908 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)c1cc(C(=O)[O-])ccc1O ZINC001593220172 994309234 /nfs/dbraw/zinc/30/92/34/994309234.db2.gz QZJMEPJRILDBRI-DYVFJYSZSA-N 0 0 390.480 3.531 20 10 GHCDRN COc1cc2[nH]c(CCC[NH2+][C@H](C)c3cc(C(=O)[O-])ccc3O)cc2c(OC)c1 ZINC001599448783 998054983 /nfs/dbraw/zinc/05/49/83/998054983.db2.gz GWLPRBUQRUNCFN-CYBMUJFWSA-N 0 0 398.459 3.872 20 10 GHCDRN Cc1nc2c(C(=O)Nc3ccc(C=Cc4ccc(N(C)C)cc4)cc3)c[nH]n2n1 ZINC001154666002 1032229431 /nfs/dbraw/zinc/22/94/31/1032229431.db2.gz YNRWBTXWPSLTDS-SNAWJCMRSA-N 0 0 386.459 3.855 20 10 GHCDRN CC[NH+](CC)C[C@H](C)Oc1cc([O-])cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12 ZINC001227030046 1032244256 /nfs/dbraw/zinc/24/42/56/1032244256.db2.gz XNHJFRCZMLLJNQ-ZDUSSCGKSA-N 0 0 399.443 3.686 20 10 GHCDRN COc1cc2n[nH]cc2cc1C(=O)n1c(=N)ccc(N=Nc2ccccc2)c1N ZINC001154786718 1032283135 /nfs/dbraw/zinc/28/31/35/1032283135.db2.gz LXAWLXRQMTZWQE-HJXZNDEESA-N 0 0 387.403 3.539 20 10 GHCDRN C[C@@H](NC(=O)N[C@@H](c1nccn1C)c1ccc(Cl)cc1)c1ccccc1O ZINC001221132709 1032300730 /nfs/dbraw/zinc/30/07/30/1032300730.db2.gz HKBALJJSGLFKOU-FZKQIMNGSA-N 0 0 384.867 3.929 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@H]3C(C)(C)C)cc2F)C[C@@H](C)O1 ZINC001221187099 1032322635 /nfs/dbraw/zinc/32/26/35/1032322635.db2.gz PKOIFJMJBJUGHK-CLCXKQKWSA-N 0 0 377.504 3.769 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCN(Cc3ccccc3C)CC2)cc1 ZINC001221226992 1032340993 /nfs/dbraw/zinc/34/09/93/1032340993.db2.gz CIWOJLDANAXKEZ-UHFFFAOYSA-N 0 0 394.563 3.869 20 10 GHCDRN O=C(N[C@@H](c1cc(F)cc(Br)c1)C1CC1)c1cccc(O)c1O ZINC001155093558 1032411530 /nfs/dbraw/zinc/41/15/30/1032411530.db2.gz SIZNDIBAMXXTAN-OAHLLOKOSA-N 0 0 380.213 3.881 20 10 GHCDRN O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)c1cc2cc(O)c(O)cc2oc1=O ZINC001155234767 1032465542 /nfs/dbraw/zinc/46/55/42/1032465542.db2.gz UUDRCQSAFSCETM-ZVLVQXPOSA-N 0 0 391.423 3.516 20 10 GHCDRN O=C1N(CCC(F)(F)F)CC[C@]12CCC[N@H+]2Cc1cccc(Cl)c1[O-] ZINC001277232659 1032520707 /nfs/dbraw/zinc/52/07/07/1032520707.db2.gz WPFPKPQFDPQPQC-MRXNPFEDSA-N 0 0 376.806 3.565 20 10 GHCDRN CC(C)NC(=O)c1noc2c1CN(Cc1ccc(N(C)C)c3ccccc13)CC2 ZINC001204241339 1032686611 /nfs/dbraw/zinc/68/66/11/1032686611.db2.gz FNSJDXJCEUGIKX-UHFFFAOYSA-N 0 0 392.503 3.590 20 10 GHCDRN CCc1sc(C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)cc1C ZINC000777825931 1017736104 /nfs/dbraw/zinc/73/61/04/1017736104.db2.gz BNTXCKOVPWOGTK-UHFFFAOYSA-N 0 0 381.881 3.793 20 10 GHCDRN CC(C)n1nc(CN(C)C)c2c1CN(Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204327689 1032770469 /nfs/dbraw/zinc/77/04/69/1032770469.db2.gz FHMSVOAZPPVFKZ-UHFFFAOYSA-N 0 0 381.568 3.684 20 10 GHCDRN COc1cc(Br)cc(CN2CC(Oc3ccccc3F)C2)c1O ZINC001204339893 1032781383 /nfs/dbraw/zinc/78/13/83/1032781383.db2.gz XULCESZGANVCTA-UHFFFAOYSA-N 0 0 382.229 3.566 20 10 GHCDRN O=C(N[C@@H]([C@H]1CCOC1)C(F)(F)F)N(Cc1ccco1)Cc1ccccc1O ZINC000933019536 1018809126 /nfs/dbraw/zinc/80/91/26/1018809126.db2.gz CDLISXKIZKYSPM-YOEHRIQHSA-N 0 0 398.381 3.664 20 10 GHCDRN C[C@@H]1Cc2cc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)ccc2O1 ZINC000933161338 1018867533 /nfs/dbraw/zinc/86/75/33/1018867533.db2.gz ZAAJXTFDKDMUFB-MRXNPFEDSA-N 0 0 381.476 3.511 20 10 GHCDRN Cc1cc(C(=O)NCC2([C@@H](O)c3ccccc3)CC2)c(C)n1-c1ccccn1 ZINC000155740857 1019543271 /nfs/dbraw/zinc/54/32/71/1019543271.db2.gz GDNQAFMLEPXKFB-NRFANRHFSA-N 0 0 375.472 3.733 20 10 GHCDRN Cc1cccc2c(CCC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c[nH]c21 ZINC000159185111 1020169558 /nfs/dbraw/zinc/16/95/58/1020169558.db2.gz DUGZUOBEKRKASS-UHFFFAOYSA-N 0 0 391.515 3.904 20 10 GHCDRN COCCN1C(=O)CCc2cc(N[C@H](C)c3cc(F)cc(F)c3O)ccc21 ZINC000779083674 1020351362 /nfs/dbraw/zinc/35/13/62/1020351362.db2.gz PFSKSTXQEDICRL-GFCCVEGCSA-N 0 0 376.403 3.769 20 10 GHCDRN COC(=O)[C@H](NC1CCN(c2ccc(OC)cc2)CC1)c1ccc(F)c(C)c1 ZINC000779177994 1020455661 /nfs/dbraw/zinc/45/56/61/1020455661.db2.gz JFESEOCQEIESRB-OAQYLSRUSA-N 0 0 386.467 3.615 20 10 GHCDRN COC(=O)[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(OC)c(Cl)c1 ZINC000779180286 1020459206 /nfs/dbraw/zinc/45/92/06/1020459206.db2.gz JLNFPEPJXDVPOD-GOSISDBHSA-N 0 0 380.847 3.558 20 10 GHCDRN COc1ccc(O)c(CNC(=O)N[C@@H](C)[C@H](OC)c2ccccc2Cl)c1 ZINC000779352008 1020734561 /nfs/dbraw/zinc/73/45/61/1020734561.db2.gz ZAGKPAUOZQGHIS-SGTLLEGYSA-N 0 0 378.856 3.630 20 10 GHCDRN COC(=O)c1cccc(NNC(=S)Nc2cccc(Br)c2)c1 ZINC000779726580 1020929662 /nfs/dbraw/zinc/92/96/62/1020929662.db2.gz GTBAMFSMSZYWEC-UHFFFAOYSA-N 0 0 380.267 3.549 20 10 GHCDRN CN(C)c1ccc([C@H](CNc2ncnc3c2CCC3)NC(=O)OC(C)(C)C)cc1 ZINC000795227689 1020993263 /nfs/dbraw/zinc/99/32/63/1020993263.db2.gz QTXMMZCOIFPTHG-IBGZPJMESA-N 0 0 397.523 3.709 20 10 GHCDRN COC(=O)/C=C\c1ccc(N2CCC(c3ccc(O)cc3)CC2)c([N+](=O)[O-])c1 ZINC000205952405 1021010684 /nfs/dbraw/zinc/01/06/84/1021010684.db2.gz HTFQRKKHZDGNJX-OQFOIZHKSA-N 0 0 382.416 3.871 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ocnc1C1CC1 ZINC000834518316 1021239613 /nfs/dbraw/zinc/23/96/13/1021239613.db2.gz JZKAJWSITSTUDX-UHFFFAOYSA-N 0 0 385.464 3.554 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1c[nH]c2cccnc12 ZINC000834518433 1021239800 /nfs/dbraw/zinc/23/98/00/1021239800.db2.gz LMNJKKFHWISJPQ-UHFFFAOYSA-N 0 0 394.475 3.565 20 10 GHCDRN OC1CCN(c2ccc(CN3CCOC[C@@H]3c3ccccc3Cl)cc2)CC1 ZINC001140287304 1021319187 /nfs/dbraw/zinc/31/91/87/1021319187.db2.gz NSJVBEOCOAXALY-JOCHJYFZSA-N 0 0 386.923 3.875 20 10 GHCDRN C[C@@H]1c2ncc(COc3cccnc3)n2CCN1Cc1c(O)cccc1Cl ZINC001140345276 1021459784 /nfs/dbraw/zinc/45/97/84/1021459784.db2.gz QYNBTIYUKXVTQK-CQSZACIVSA-N 0 0 384.867 3.793 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21)c1cccc(C(F)(F)F)c1[O-] ZINC000834826623 1021521108 /nfs/dbraw/zinc/52/11/08/1021521108.db2.gz GFLVOKQFJJVMLV-VXGBXAGGSA-N 0 0 385.407 3.633 20 10 GHCDRN CC[C@H]([NH2+]CC1(OCCOC)CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000834856817 1021558360 /nfs/dbraw/zinc/55/83/60/1021558360.db2.gz UTVXHYTVCTWUHD-HNNXBMFYSA-N 0 0 392.323 3.952 20 10 GHCDRN C[C@H](CCCO)C[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000834870997 1021582234 /nfs/dbraw/zinc/58/22/34/1021582234.db2.gz MHXJVCZTOLAKQV-NXEZZACHSA-N 0 0 395.135 3.976 20 10 GHCDRN Cc1cc(C)cc(C2(c3noc(-c4cc(NS(C)(=O)=O)ccc4O)n3)CC2)c1 ZINC000834885654 1021611692 /nfs/dbraw/zinc/61/16/92/1021611692.db2.gz LHIMYLQBSPNRJA-UHFFFAOYSA-N 0 0 399.472 3.510 20 10 GHCDRN C[C@@H]([NH2+][C@@H]1COCC1(C)C)c1cc(Br)cc(Br)c1[O-] ZINC000834904377 1021655998 /nfs/dbraw/zinc/65/59/98/1021655998.db2.gz NVNQDEQWHIFIJJ-PRHODGIISA-N 0 0 393.119 3.993 20 10 GHCDRN C[C@@H]([NH2+]C[C@H](O)C1CCC1)c1cc(Br)cc(Br)c1[O-] ZINC000834906305 1021663275 /nfs/dbraw/zinc/66/32/75/1021663275.db2.gz OOZWRESEQDDBMY-OQPBUACISA-N 0 0 393.119 3.729 20 10 GHCDRN Oc1cc(Cl)ccc1CN1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001140465143 1021758184 /nfs/dbraw/zinc/75/81/84/1021758184.db2.gz JLEFIFMMHOFQMF-SIXWZSSISA-N 0 0 394.924 3.698 20 10 GHCDRN CN(C)c1ccc(/C=C\CNc2cccc(C(=O)N3CCC(CO)CC3)c2)cc1 ZINC000835031814 1021788235 /nfs/dbraw/zinc/78/82/35/1021788235.db2.gz UMHBRMCPVYSTGQ-PLNGDYQASA-N 0 0 393.531 3.722 20 10 GHCDRN CC(=O)N1CCN(Cc2ccccc2NC/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835046288 1021809344 /nfs/dbraw/zinc/80/93/44/1021809344.db2.gz UXMLJFFBFNQRQF-SREVYHEPSA-N 0 0 392.547 3.542 20 10 GHCDRN CC[C@@H]1NC(=O)N(c2cccc(NC/C=C/c3ccc(N(C)C)cc3)c2)C1=O ZINC000835051741 1021817128 /nfs/dbraw/zinc/81/71/28/1021817128.db2.gz HPAVGPJMJGPNGE-YJJPMGAVSA-N 0 0 378.476 3.713 20 10 GHCDRN COc1cc(O)c(CNc2ccc3c(c2)CN(CC(F)(F)F)C3)cc1OC ZINC000835080210 1021877883 /nfs/dbraw/zinc/87/78/83/1021877883.db2.gz NYDQSJDFPVFBML-UHFFFAOYSA-N 0 0 382.382 3.899 20 10 GHCDRN CCC[C@]1(CO)CCCN1C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC001156400858 1033018864 /nfs/dbraw/zinc/01/88/64/1033018864.db2.gz QIWHJCGXYVVRAN-HSZRJFAPSA-N 0 0 382.504 3.603 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc(C)cn1 ZINC000827882153 1022363096 /nfs/dbraw/zinc/36/30/96/1022363096.db2.gz QFGCQQLGGXFCHD-UHFFFAOYSA-N 0 0 378.270 3.590 20 10 GHCDRN COCCOc1ccc(N2CCN(Cc3c(Cl)cccc3OC)CC2)cc1 ZINC001140730657 1022382469 /nfs/dbraw/zinc/38/24/69/1022382469.db2.gz VNJPTJJKEFGHOM-UHFFFAOYSA-N 0 0 390.911 3.696 20 10 GHCDRN Cc1c(Cl)cccc1NC(=O)CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000725856713 1022389679 /nfs/dbraw/zinc/38/96/79/1022389679.db2.gz XFHULVUBVAUJRK-UHFFFAOYSA-N 0 0 388.899 3.542 20 10 GHCDRN Nc1ccc2c(c1NC(=O)c1ccn3ccccc13)C(=O)c1ccccc1C2=O ZINC001156473997 1033053539 /nfs/dbraw/zinc/05/35/39/1033053539.db2.gz FMAHOCGBPQETQR-UHFFFAOYSA-N 0 0 381.391 3.549 20 10 GHCDRN COc1cccc(CNC(=O)c2cnn(C(C)(C)C)c2-c2ccccc2)c1O ZINC000754207474 1022536286 /nfs/dbraw/zinc/53/62/86/1022536286.db2.gz OPUSOCXPCDEMLG-UHFFFAOYSA-N 0 0 379.460 3.949 20 10 GHCDRN Cc1cc(C(=O)NCCc2ccon2)c(C)n1-c1cccc(Br)c1 ZINC000754385735 1022662402 /nfs/dbraw/zinc/66/24/02/1022662402.db2.gz JKIMLDLJNAYIGC-UHFFFAOYSA-N 0 0 388.265 3.817 20 10 GHCDRN Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000754535511 1022758216 /nfs/dbraw/zinc/75/82/16/1022758216.db2.gz GNDXIDDTBXMZJH-UHFFFAOYSA-N 0 0 387.439 3.745 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@@]2(CCSC2)C1 ZINC000836241767 1022760022 /nfs/dbraw/zinc/76/00/22/1022760022.db2.gz HXGFHPKGVSHFLX-HXUWFJFHSA-N 0 0 391.606 3.669 20 10 GHCDRN Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000754548167 1022763724 /nfs/dbraw/zinc/76/37/24/1022763724.db2.gz ZBDQNBBEASFJJB-GFCCVEGCSA-N 0 0 387.439 3.555 20 10 GHCDRN C[C@@H](NC(=O)NC[C@H]1CCCCC1(F)F)c1ccc(N2CCOCC2)cc1 ZINC000836256477 1022782281 /nfs/dbraw/zinc/78/22/81/1022782281.db2.gz QRLKTCIDXAKYHT-NVXWUHKLSA-N 0 0 381.467 3.709 20 10 GHCDRN CC(C)[C@@H](O)C(C)(C)CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000754641684 1022808357 /nfs/dbraw/zinc/80/83/57/1022808357.db2.gz RLCYSPZFRMMDKC-HXUWFJFHSA-N 0 0 375.557 3.765 20 10 GHCDRN CN(C)c1ccc(CN2CCc3onc(COc4ccccn4)c3C2)c(Cl)c1 ZINC001140924135 1022901201 /nfs/dbraw/zinc/90/12/01/1022901201.db2.gz MLQXOZDSQDCRFI-UHFFFAOYSA-N 0 0 398.894 3.926 20 10 GHCDRN CCOCCOc1c(Cl)cccc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000755018866 1023024008 /nfs/dbraw/zinc/02/40/08/1023024008.db2.gz NGLZDYDZQKOPDM-UHFFFAOYSA-N 0 0 394.855 3.531 20 10 GHCDRN CN1CCCc2cc(CNC(=O)CSc3nc(-c4ccccc4)no3)ccc21 ZINC000755195223 1023119322 /nfs/dbraw/zinc/11/93/22/1023119322.db2.gz KAQATRCFRJPHMK-UHFFFAOYSA-N 0 0 394.500 3.528 20 10 GHCDRN O=C(Nc1cccc(N2CCOCC2)c1)c1c(F)cc(Br)cc1F ZINC000755211848 1023129364 /nfs/dbraw/zinc/12/93/64/1023129364.db2.gz LPSLWYQLXCCTBD-UHFFFAOYSA-N 0 0 397.219 3.816 20 10 GHCDRN O=C(NCc1ccc(C2CCC2)cc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000755225835 1023141254 /nfs/dbraw/zinc/14/12/54/1023141254.db2.gz CRRJLCYVSPYBCN-UHFFFAOYSA-N 0 0 397.494 3.929 20 10 GHCDRN Cc1nccc(NCc2cccc(C(=O)NCCCSc3nccs3)c2)n1 ZINC000755318739 1023190729 /nfs/dbraw/zinc/19/07/29/1023190729.db2.gz XPSIZGJFTBMKNK-UHFFFAOYSA-N 0 0 399.545 3.766 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)Cc2cc(F)cc(OC)c2)c1 ZINC000836668515 1023231202 /nfs/dbraw/zinc/23/12/02/1023231202.db2.gz FQAOKZVQHREMCW-STQMWFEESA-N 0 0 376.428 3.540 20 10 GHCDRN CCOC(=O)CN1C(=O)/C(=C\c2ccc(F)c3cccnc23)c2ccccc21 ZINC000755410343 1023237051 /nfs/dbraw/zinc/23/70/51/1023237051.db2.gz MDDDNTAEMBOSOT-ATVHPVEESA-N 0 0 376.387 3.824 20 10 GHCDRN COc1cc(O)c(CN2CCc3ccc(Br)cc3C2)c(OC)c1 ZINC001141028575 1023277585 /nfs/dbraw/zinc/27/75/85/1023277585.db2.gz VLVLFEKKZITOHV-UHFFFAOYSA-N 0 0 378.266 3.730 20 10 GHCDRN CCOC(=O)CN1C(=O)/C(=C\c2cnc(-c3ccccn3)s2)c2ccccc21 ZINC000755607237 1023311466 /nfs/dbraw/zinc/31/14/66/1023311466.db2.gz VBCBWXWXKUHNAE-WJDWOHSUSA-N 0 0 391.452 3.655 20 10 GHCDRN COc1c(F)cc(NC(=O)NCCCSc2nccs2)c(OC)c1F ZINC000836737161 1023324499 /nfs/dbraw/zinc/32/44/99/1023324499.db2.gz LGCFLQOXJQZGBM-UHFFFAOYSA-N 0 0 389.449 3.742 20 10 GHCDRN C[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCS1 ZINC000755744611 1023361075 /nfs/dbraw/zinc/36/10/75/1023361075.db2.gz JYZLLEVWJPZHPO-LSDHHAIUSA-N 0 0 399.507 3.794 20 10 GHCDRN CO[C@H]1COCC[C@H]1CNC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000836814681 1023381894 /nfs/dbraw/zinc/38/18/94/1023381894.db2.gz JUYPGGRRBIWFGT-KKSFZXQISA-N 0 0 396.491 3.949 20 10 GHCDRN Cc1cc(C(=O)NCCC2(CO)CC2)c(C)n1-c1ccc(Br)cc1 ZINC000836969419 1023530395 /nfs/dbraw/zinc/53/03/95/1023530395.db2.gz JTUQFTJSKKPUAH-UHFFFAOYSA-N 0 0 391.309 3.749 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCO[C@H](c2ccnn2C)C1 ZINC000836975702 1023536096 /nfs/dbraw/zinc/53/60/96/1023536096.db2.gz SVGPUHLAZNHABH-YJBOKZPZSA-N 0 0 384.505 3.539 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](c2cccc(OC)c2)N2CCCC2)c1 ZINC000756350965 1023601256 /nfs/dbraw/zinc/60/12/56/1023601256.db2.gz HVTLRYZFIFAPSC-KKSFZXQISA-N 0 0 398.503 3.675 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](c2cccc(OC)c2)N2CCCC2)c1 ZINC000756350960 1023601374 /nfs/dbraw/zinc/60/13/74/1023601374.db2.gz HVTLRYZFIFAPSC-IIBYNOLFSA-N 0 0 398.503 3.675 20 10 GHCDRN CSCC[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1nnc2ccccn21 ZINC000756364955 1023608132 /nfs/dbraw/zinc/60/81/32/1023608132.db2.gz MFGBZXYEGGXICO-IAQYHMDHSA-N 0 0 378.448 3.858 20 10 GHCDRN CCNC(=O)c1ccc(C[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])cc1 ZINC000756413152 1023634551 /nfs/dbraw/zinc/63/45/51/1023634551.db2.gz CCVBJXJQAIJYLV-LLVKDONJSA-N 0 0 395.272 3.894 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCN(Cc3ccccc3C)CC2)c1 ZINC000756417212 1023637948 /nfs/dbraw/zinc/63/79/48/1023637948.db2.gz LFBUMWJQWHQAJB-QGZVFWFLSA-N 0 0 382.504 3.802 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000756423995 1023640651 /nfs/dbraw/zinc/64/06/51/1023640651.db2.gz QJUZZPBFOSBAES-OAHLLOKOSA-N 0 0 386.467 3.633 20 10 GHCDRN C[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1cc(Br)c(F)cc1[O-] ZINC000756433716 1023646867 /nfs/dbraw/zinc/64/68/67/1023646867.db2.gz XZHXDCBDYHDGPT-NXEZZACHSA-N 0 0 399.226 3.829 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cc(F)cc(Br)c2)c1 ZINC000756440581 1023651707 /nfs/dbraw/zinc/65/17/07/1023651707.db2.gz FLQBBOBFZDWLRC-SNVBAGLBSA-N 0 0 382.229 3.931 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2(c3ccc(F)cc3)CCOCC2)c1 ZINC000756452881 1023658560 /nfs/dbraw/zinc/65/85/60/1023658560.db2.gz AKASMEDEVSSNQO-OAHLLOKOSA-N 0 0 387.451 3.717 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)c1 ZINC000756476745 1023675239 /nfs/dbraw/zinc/67/52/39/1023675239.db2.gz UQDYSLIYVBWSFP-PIGZYNQJSA-N 0 0 383.366 3.582 20 10 GHCDRN C[C@H]([NH2+]CCNC(=O)c1ccccc1)c1cc(Br)cc(Cl)c1[O-] ZINC000756483366 1023680200 /nfs/dbraw/zinc/68/02/00/1023680200.db2.gz MRWMUWPNQKYDNB-NSHDSACASA-N 0 0 397.700 3.889 20 10 GHCDRN C[C@@H]([NH2+]CCCN1CCCCC1=O)c1cc(Br)cc(Cl)c1[O-] ZINC000756556375 1023712497 /nfs/dbraw/zinc/71/24/97/1023712497.db2.gz OGALMBYLGIFAFR-LLVKDONJSA-N 0 0 389.721 3.861 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756582069 1023720895 /nfs/dbraw/zinc/72/08/95/1023720895.db2.gz FMCAXODUIHTPAH-SRVKXCTJSA-N 0 0 387.293 3.591 20 10 GHCDRN C[C@H](NC(=O)CN(C)c1ccc2c(c1)OCO2)c1ccc(OC(F)(F)F)cc1 ZINC000756655405 1023756454 /nfs/dbraw/zinc/75/64/54/1023756454.db2.gz RVXGEYSDKDQSOA-LBPRGKRZSA-N 0 0 396.365 3.628 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1cc(Br)c(F)cc1[O-] ZINC000756659936 1023760441 /nfs/dbraw/zinc/76/04/41/1023760441.db2.gz HTIVJJLJHYQODH-BZNIZROVSA-N 0 0 393.256 3.750 20 10 GHCDRN C[C@@H]([NH2+]CCCOC1CCOCC1)c1cc(Br)c(F)cc1[O-] ZINC000756733404 1023792421 /nfs/dbraw/zinc/79/24/21/1023792421.db2.gz OUQIECLSQMZCQI-LLVKDONJSA-N 0 0 376.266 3.530 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(F)cc1[O-] ZINC000756769076 1023807951 /nfs/dbraw/zinc/80/79/51/1023807951.db2.gz JGPYUNQAWIWRKA-INZKUCGCSA-N 0 0 380.822 3.946 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000756782882 1023814008 /nfs/dbraw/zinc/81/40/08/1023814008.db2.gz UTISSQGDSBSNFF-KANYHAFZSA-N 0 0 390.705 3.797 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000756782880 1023814191 /nfs/dbraw/zinc/81/41/91/1023814191.db2.gz UTISSQGDSBSNFF-IETSOEAISA-N 0 0 390.705 3.797 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)c1 ZINC000756789744 1023817034 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CCOc1ccc(N2CCN(Cc3c4ccccc4[nH]c3C(=O)OC)CC2)cc1 ZINC001139400725 1026271862 /nfs/dbraw/zinc/27/18/62/1026271862.db2.gz DUBBIDZAHNRJGK-UHFFFAOYSA-N 0 0 393.487 3.675 20 10 GHCDRN O=C(Cc1cccc(C2CC2)c1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839797585 1026277250 /nfs/dbraw/zinc/27/72/50/1026277250.db2.gz AXMBKOKPWYOSLE-UHFFFAOYSA-N 0 0 386.442 3.538 20 10 GHCDRN Cc1cc(C(=O)N[C@H](CO)[C@@H]2CCCOC2)c(C)n1-c1cccc(C(C)C)c1 ZINC000839855167 1026314854 /nfs/dbraw/zinc/31/48/54/1026314854.db2.gz QCUZYZILGJRGEE-DENIHFKCSA-N 0 0 384.520 3.735 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[C@H](C)NC(=O)C1CCCCC1 ZINC000839918086 1026346437 /nfs/dbraw/zinc/34/64/37/1026346437.db2.gz JOHIIRYPHGHZFJ-MSOLQXFVSA-N 0 0 387.568 3.583 20 10 GHCDRN Cc1c(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)nnn1CC1CCCC1 ZINC000839920642 1026347079 /nfs/dbraw/zinc/34/70/79/1026347079.db2.gz CJQUJJWLMSZKTM-INIZCTEOSA-N 0 0 383.540 3.512 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1 ZINC000839919975 1026347088 /nfs/dbraw/zinc/34/70/88/1026347088.db2.gz YSCOUUVBNHJZRK-MRXNPFEDSA-N 0 0 397.494 3.666 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@@H](c3cc(=O)[nH][nH]3)C2)c(C)n1-c1cccc(Cl)c1 ZINC001164322570 1026484679 /nfs/dbraw/zinc/48/46/79/1026484679.db2.gz PSVZSOAYGXDIPR-CQSZACIVSA-N 0 0 384.867 3.806 20 10 GHCDRN CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@H+](Cc4c(F)ccc(F)c4[O-])C[C@H]3O2)n1 ZINC001139681602 1026535565 /nfs/dbraw/zinc/53/55/65/1026535565.db2.gz USMVEOSBSQWEPR-FASAQXTFSA-N 0 0 389.446 3.936 20 10 GHCDRN CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3c(F)ccc(F)c3[O-])C[C@@H]21 ZINC001139682673 1026536933 /nfs/dbraw/zinc/53/69/33/1026536933.db2.gz AKHOCLVFCVRZDT-LDBYXDLTSA-N 0 0 387.474 3.798 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CO[C@@H](C)C2)c(C)n1-c1ccc(Br)cc1 ZINC001164516503 1026540330 /nfs/dbraw/zinc/54/03/30/1026540330.db2.gz RFGGOEXXAGEWFQ-SWLSCSKDSA-N 0 0 377.282 3.764 20 10 GHCDRN Cc1cnc(CN2CCN(c3ccc(OCc4cccnc4)cc3)CC2)s1 ZINC001139814553 1026637853 /nfs/dbraw/zinc/63/78/53/1026637853.db2.gz HKSAJVCLBRTWCY-UHFFFAOYSA-N 0 0 380.517 3.748 20 10 GHCDRN COc1cc(OCC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)ccc1C=O ZINC001165401266 1026718154 /nfs/dbraw/zinc/71/81/54/1026718154.db2.gz MDPWTWBQOITQPT-UHFFFAOYSA-N 0 0 382.391 3.711 20 10 GHCDRN O=C(CSc1nc(-c2ccccc2)no1)NCc1cc(Cl)ccc1O ZINC001165498022 1026746965 /nfs/dbraw/zinc/74/69/65/1026746965.db2.gz KNYZMNHFYPCREC-UHFFFAOYSA-N 0 0 375.837 3.504 20 10 GHCDRN Cn1cc(C(=O)NCc2cc(Cl)ccc2O)c(-c2cc(F)ccc2F)n1 ZINC001165507300 1026749439 /nfs/dbraw/zinc/74/94/39/1026749439.db2.gz DOIYFYKLTWJUQD-UHFFFAOYSA-N 0 0 377.778 3.654 20 10 GHCDRN COc1cccc2c1OC[C@@H]([NH2+]Cc1cc(C)cc(Br)c1[O-])C2 ZINC001461149517 1069414428 /nfs/dbraw/zinc/41/44/28/1069414428.db2.gz ZAAIYXVTAOBHIC-AWEZNQCLSA-N 0 0 378.266 3.565 20 10 GHCDRN COC(=O)c1cnc(SC[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)s1 ZINC000834382530 1026962281 /nfs/dbraw/zinc/96/22/81/1026962281.db2.gz MVQPNCWNIQACDY-GWCFXTLKSA-N 0 0 387.910 3.814 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnc(NC(=O)OC(C)(C)C)s1 ZINC001140203809 1026978075 /nfs/dbraw/zinc/97/80/75/1026978075.db2.gz PHFOIRACAIZFKJ-UHFFFAOYSA-N 0 0 398.481 3.611 20 10 GHCDRN COC(=O)/C(=C/c1ccc(N(C)Cc2cccs2)cc1)CN1CCC(=O)CC1 ZINC000834438059 1026992359 /nfs/dbraw/zinc/99/23/59/1026992359.db2.gz FXNVGWPYCFXVQU-NBVRZTHBSA-N 0 0 398.528 3.606 20 10 GHCDRN CCOC(=O)c1cc(C)cc(N2CCc3c(c4cc(OC)ccc4n3C)C2)n1 ZINC001166815684 1027091873 /nfs/dbraw/zinc/09/18/73/1027091873.db2.gz FHJBIHCEUNHYMP-UHFFFAOYSA-N 0 0 379.460 3.630 20 10 GHCDRN CCOC(=O)c1cnc(Cl)cc1N1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001166818279 1027094035 /nfs/dbraw/zinc/09/40/35/1027094035.db2.gz BFKOOCULSDXZJT-UHFFFAOYSA-N 0 0 399.878 3.975 20 10 GHCDRN Cc1cc(C(F)(F)F)c(=O)n(CN2CCCc3cc(OC(F)F)ccc32)n1 ZINC000840037220 1027102078 /nfs/dbraw/zinc/10/20/78/1027102078.db2.gz SPZCJECXJOSRTP-UHFFFAOYSA-N 0 0 389.324 3.582 20 10 GHCDRN C[C@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])c1ccc(NC(N)=O)cc1 ZINC001461197207 1069436827 /nfs/dbraw/zinc/43/68/27/1069436827.db2.gz UEFXDWSOGFMQMC-VIFPVBQESA-N 0 0 382.233 3.635 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cncc(F)c2)C1 ZINC001276411317 1027372547 /nfs/dbraw/zinc/37/25/47/1027372547.db2.gz YRQGIMAKMZYLNU-GFOMBABLSA-N 0 0 397.450 3.717 20 10 GHCDRN O=C(N[C@@H]1C[C@H]1c1ccco1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000840314032 1027441367 /nfs/dbraw/zinc/44/13/67/1027441367.db2.gz DEJMIWLUGXGEGV-KBRIMQKVSA-N 0 0 391.418 3.705 20 10 GHCDRN O=C(c1ccsc1)N1C[C@@H]2C[NH+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]2C1 ZINC001203577246 1027444728 /nfs/dbraw/zinc/44/47/28/1027444728.db2.gz AUXHJWCVCNLYRR-KBPBESRZSA-N 0 0 397.327 3.965 20 10 GHCDRN O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203578566 1027447710 /nfs/dbraw/zinc/44/77/10/1027447710.db2.gz NZHORVAETOFELO-CABCVRRESA-N 0 0 398.315 3.645 20 10 GHCDRN COc1cccc(C[NH+]2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)c1O ZINC001203593759 1027459514 /nfs/dbraw/zinc/45/95/14/1027459514.db2.gz QAYALABETRAJPR-UHFFFAOYSA-N 0 0 375.428 3.908 20 10 GHCDRN CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cc(Br)ccc1O ZINC001203639940 1027499210 /nfs/dbraw/zinc/49/92/10/1027499210.db2.gz NRIBWBMIHHWERM-GASCZTMLSA-N 0 0 397.313 3.738 20 10 GHCDRN CCOC[C@H]1CN(Cc2cc(Cl)ccc2O)Cc2nn(CC3CC3)cc21 ZINC001203656504 1027512594 /nfs/dbraw/zinc/51/25/94/1027512594.db2.gz QFFPFQRSUCFYIN-MRXNPFEDSA-N 0 0 375.900 3.788 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)[C@@](C)(OC)C1CC1 ZINC000840417738 1027521943 /nfs/dbraw/zinc/52/19/43/1027521943.db2.gz QXULQNDKLMPUBD-KPZWWZAWSA-N 0 0 399.329 3.890 20 10 GHCDRN CC[C@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)CC(F)(F)F ZINC000840427462 1027528664 /nfs/dbraw/zinc/52/86/64/1027528664.db2.gz HKATYTQJVZXFLT-HNNXBMFYSA-N 0 0 387.446 3.643 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(Cc1ccccc1)C[C@H](C)O ZINC000840478349 1027561986 /nfs/dbraw/zinc/56/19/86/1027561986.db2.gz GJXQFWWHPOBQGF-OALUTQOASA-N 0 0 383.536 3.585 20 10 GHCDRN CCCO[C@@H]1CCCN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000840480605 1027564655 /nfs/dbraw/zinc/56/46/55/1027564655.db2.gz XIDIIXJAORJJBW-GHTZIAJQSA-N 0 0 375.557 3.983 20 10 GHCDRN Cc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840486585 1027573504 /nfs/dbraw/zinc/57/35/04/1027573504.db2.gz DBYGDXFMRVLYAU-QGZVFWFLSA-N 0 0 396.535 3.824 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(Cc2ccc(O)c(O)c2)C[C@H]1c1ccccc1 ZINC001203881845 1027677246 /nfs/dbraw/zinc/67/72/46/1027677246.db2.gz UPDFYTLRSQODCU-SFHVURJKSA-N 0 0 384.476 3.892 20 10 GHCDRN COc1ccc(N2CCN(Cc3ccc(Br)cc3)CC2)c(OC)c1 ZINC001203911799 1027703161 /nfs/dbraw/zinc/70/31/61/1027703161.db2.gz QEMRFBXBBZCQSS-UHFFFAOYSA-N 0 0 391.309 3.789 20 10 GHCDRN CN(C)c1ccc(CN2CCc3c(COCc4ccccn4)cncc3C2)cc1 ZINC001203931890 1027725646 /nfs/dbraw/zinc/72/56/46/1027725646.db2.gz LTSBDYHAVNFTHQ-UHFFFAOYSA-N 0 0 388.515 3.818 20 10 GHCDRN O=C1c2ccccc2N[C@@H](c2cc(Cl)c(F)cc2O)N1C[C@@H]1CCCO1 ZINC000840785189 1027823061 /nfs/dbraw/zinc/82/30/61/1027823061.db2.gz NKMBASUDFCETTR-BBATYDOGSA-N 0 0 376.815 3.930 20 10 GHCDRN O=C(c1ccccn1)c1cc(Cl)ccc1NC1=CCN(C(=O)C2CC2)CC1 ZINC001211185699 1027829763 /nfs/dbraw/zinc/82/97/63/1027829763.db2.gz DNGZOBOVPYMYHU-UHFFFAOYSA-N 0 0 381.863 3.904 20 10 GHCDRN COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])cc1 ZINC000840808194 1027846591 /nfs/dbraw/zinc/84/65/91/1027846591.db2.gz HOHNRIWCVMDCRB-WCQYABFASA-N 0 0 398.272 3.729 20 10 GHCDRN C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1cc(Br)cc(F)c1[O-] ZINC000840879346 1027916547 /nfs/dbraw/zinc/91/65/47/1027916547.db2.gz FFVCFWSLYNRBJS-JQWIXIFHSA-N 0 0 386.236 3.860 20 10 GHCDRN COc1cc(OC)cc([C@H](NCc2ccc(N(C)C)cc2C)c2nccn2C)c1 ZINC000840936099 1027972054 /nfs/dbraw/zinc/97/20/54/1027972054.db2.gz GWMQQUSJBPRRCQ-QFIPXVFZSA-N 0 0 394.519 3.691 20 10 GHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000840971694 1028006316 /nfs/dbraw/zinc/00/63/16/1028006316.db2.gz ABNCMCSBSSTCEB-IBGZPJMESA-N 0 0 379.859 3.805 20 10 GHCDRN Nc1ccc(CCNC(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)cc1 ZINC000841234166 1028312203 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/nfs/dbraw/zinc/55/45/19/1040554519.db2.gz WPAGEXBJMLYILD-UHFFFAOYSA-N 0 0 381.245 3.732 20 10 GHCDRN CC(C)C(=O)N1CCC[C@@]12CC[N@H+](Cc1cc(F)cc(Br)c1[O-])C2 ZINC001235301860 1040774103 /nfs/dbraw/zinc/77/41/03/1040774103.db2.gz KLIFGQZQMUFZPR-SFHVURJKSA-N 0 0 399.304 3.517 20 10 GHCDRN C[N@H+](CCCC(=O)c1cccnc1)Cc1cc(F)cc(Br)c1[O-] ZINC001235303586 1040777099 /nfs/dbraw/zinc/77/70/99/1040777099.db2.gz OMSUOQOICXYNMW-UHFFFAOYSA-N 0 0 381.245 3.784 20 10 GHCDRN CCc1nc(C2CC[NH+](Cc3cc(F)cc(Br)c3[O-])CC2)no1 ZINC001235306626 1040781180 /nfs/dbraw/zinc/78/11/80/1040781180.db2.gz WIPVFFHOHYAXLU-UHFFFAOYSA-N 0 0 384.249 3.619 20 10 GHCDRN [O-]c1cc(Br)cc(F)c1CN1CC[NH2+]C[C@@H]1c1ccccc1F ZINC001235753915 1041241220 /nfs/dbraw/zinc/24/12/20/1041241220.db2.gz QNYAFYGGXASQED-MRXNPFEDSA-N 0 0 383.236 3.579 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH+]2CCC(Oc3ccncc3)CC2)c1 ZINC001236662701 1041811047 /nfs/dbraw/zinc/81/10/47/1041811047.db2.gz GWLZHZWURCYFMI-UHFFFAOYSA-N 0 0 377.282 3.902 20 10 GHCDRN Cc1cc(Br)c(O)c(CN2CCN(Cc3ccccc3F)CC2)c1 ZINC001236665584 1041813747 /nfs/dbraw/zinc/81/37/47/1041813747.db2.gz KVRYVFRKMDTCQM-UHFFFAOYSA-N 0 0 393.300 3.920 20 10 GHCDRN CCOC(=O)C[C@H]1CC[N@H+](Cc2cc(C)cc(Br)c2[O-])C[C@@H]1C ZINC001236669205 1041815751 /nfs/dbraw/zinc/81/57/51/1041815751.db2.gz HVFDSNODLQJFBD-UONOGXRCSA-N 0 0 384.314 3.874 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[N@@H+](C)C2CN(C(=O)OC(C)(C)C)C2)c1 ZINC001236669441 1041816839 /nfs/dbraw/zinc/81/68/39/1041816839.db2.gz MDRLBGFVPBVQEU-UHFFFAOYSA-N 0 0 385.302 3.514 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH+]2CCC(NC(=O)C(C)(C)C)CC2)c1 ZINC001236670730 1041818568 /nfs/dbraw/zinc/81/85/68/1041818568.db2.gz PNYAMKISHPRPJE-UHFFFAOYSA-N 0 0 383.330 3.590 20 10 GHCDRN COc1cc(CN2CCOC[C@H]2c2csc(C)n2)c(O)cc1Br ZINC001236746206 1041870388 /nfs/dbraw/zinc/87/03/88/1041870388.db2.gz KVJAQYIJBHDWJD-AWEZNQCLSA-N 0 0 399.310 3.502 20 10 GHCDRN COc1cc(CN2CCc3cccc(OC)c3C2)c(O)cc1Br ZINC001236744882 1041870692 /nfs/dbraw/zinc/87/06/92/1041870692.db2.gz HTYMGYKTWCWRLU-UHFFFAOYSA-N 0 0 378.266 3.730 20 10 GHCDRN COc1cc(CN(C)Cc2cn3ccc(C)cc3n2)c(O)cc1Br ZINC001236751215 1041871893 /nfs/dbraw/zinc/87/18/93/1041871893.db2.gz RHMQPZPILCCSCP-UHFFFAOYSA-N 0 0 390.281 3.751 20 10 GHCDRN CCc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)c(O)c1 ZINC001236784798 1041890812 /nfs/dbraw/zinc/89/08/12/1041890812.db2.gz APQFIPADKXTATI-FYYLOGMGSA-N 0 0 382.504 3.800 20 10 GHCDRN O=C(c1ccccc1)N1C[C@H]2C[NH+](Cc3cc(Cl)c(Cl)cc3[O-])C[C@@H]2C1 ZINC001236790612 1041896579 /nfs/dbraw/zinc/89/65/79/1041896579.db2.gz REUHGUWBPXVSBL-HZPDHXFCSA-N 0 0 391.298 3.903 20 10 GHCDRN Oc1ccc(OCc2ccccc2)cc1C[NH+]1CCN(c2ccccn2)CC1 ZINC001236791505 1041896619 /nfs/dbraw/zinc/89/66/19/1041896619.db2.gz DNRUJERLLLHRJV-UHFFFAOYSA-N 0 0 375.472 3.688 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cc(Cl)c(Cl)cc2O)C[C@@H]1F ZINC001236795163 1041899347 /nfs/dbraw/zinc/89/93/47/1041899347.db2.gz ADQGYTYKTZRTIH-QWHCGFSZSA-N 0 0 379.259 3.746 20 10 GHCDRN [O-]c1cc(Cl)c(Cl)cc1C[NH+]1CCC2(CC(N3CCCC3)=NO2)CC1 ZINC001236795538 1041900460 /nfs/dbraw/zinc/90/04/60/1041900460.db2.gz GBCWUSJWAZQTRE-UHFFFAOYSA-N 0 0 384.307 3.863 20 10 GHCDRN COc1ccc(C[N@@H+]2CC[C@@H](C)N(C(=O)OC(C)(C)C)CC2)c([O-])c1Cl ZINC001236802082 1041903680 /nfs/dbraw/zinc/90/36/80/1041903680.db2.gz OCNFVRVIRZGPHN-CYBMUJFWSA-N 0 0 384.904 3.886 20 10 GHCDRN COc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c([O-])c1Cl ZINC001236808395 1041909039 /nfs/dbraw/zinc/90/90/39/1041909039.db2.gz YKBXEHJMIVIVPQ-ZDUSSCGKSA-N 0 0 384.904 3.743 20 10 GHCDRN COc1ccc(C[NH+]2CCC(N3C(=O)Cc4ccccc43)CC2)c([O-])c1Cl ZINC001236813140 1041912460 /nfs/dbraw/zinc/91/24/60/1041912460.db2.gz KDTBHIBMRHESLY-UHFFFAOYSA-N 0 0 386.879 3.608 20 10 GHCDRN COc1cc(C)c(C[NH+]2CCC(CN(C)C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC001236814503 1041913031 /nfs/dbraw/zinc/91/30/31/1041913031.db2.gz SHURJMBAXPCAPO-UHFFFAOYSA-N 0 0 378.513 3.788 20 10 GHCDRN NC(=O)c1ccc(O[C@H]2CCC[N@H+](Cc3cc4ccccc4cc3O)C2)cc1 ZINC001236836147 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393.462 3.988 20 10 GHCDRN CCOc1ccc(CN2C[C@@H](NC(=O)OC(C)(C)C)CC(F)(F)C2)c(O)c1 ZINC001237046421 1042006741 /nfs/dbraw/zinc/00/67/41/1042006741.db2.gz NLJLNVCJBCQQJD-AWEZNQCLSA-N 0 0 386.439 3.525 20 10 GHCDRN Oc1cc(OCC(F)(F)F)ccc1CN1CC(Oc2ccc(F)c(F)c2)C1 ZINC001237055530 1042012935 /nfs/dbraw/zinc/01/29/35/1042012935.db2.gz FIXYVWZFJRIKBR-UHFFFAOYSA-N 0 0 389.320 3.875 20 10 GHCDRN O=C1Nc2ccccc2CN1C1CN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237125118 1042052584 /nfs/dbraw/zinc/05/25/84/1042052584.db2.gz IYPCPQVKOYSNKB-UHFFFAOYSA-N 0 0 393.365 3.523 20 10 GHCDRN O=C(N[C@@H]1CCCN(Cc2c(O)ccc(F)c2Cl)C1)c1ccc(F)cc1 ZINC001237126073 1042053350 /nfs/dbraw/zinc/05/33/50/1042053350.db2.gz FNFPROBBNJCTEU-CQSZACIVSA-N 0 0 380.822 3.718 20 10 GHCDRN Oc1ccc(F)c(Cl)c1CN1CCn2c(Cc3ccc(F)cc3)nnc2C1 ZINC001237126644 1042054582 /nfs/dbraw/zinc/05/45/82/1042054582.db2.gz OACNUQAFGVKLPP-UHFFFAOYSA-N 0 0 390.821 3.522 20 10 GHCDRN O=C1Nc2ccccc2CN1[C@H]1CCN(Cc2c(O)ccc(F)c2Cl)C1 ZINC001237127971 1042055093 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COc1cc(CN2CCc3c(Br)cccc3C2)c(O)c(OC)c1 ZINC001237679759 1042320687 /nfs/dbraw/zinc/32/06/87/1042320687.db2.gz ZSQCZUOCXBFAPQ-UHFFFAOYSA-N 0 0 378.266 3.730 20 10 GHCDRN Cc1cc(Cl)cc(CN2CCn3c(Cc4ccc(F)cc4)nnc3C2)c1O ZINC001237684026 1042325032 /nfs/dbraw/zinc/32/50/32/1042325032.db2.gz ABINMTALZGOSTH-UHFFFAOYSA-N 0 0 386.858 3.691 20 10 GHCDRN CN(C)c1ccc(C[N@H+](C)Cc2cccc(I)c2[O-])cc1 ZINC001237783798 1042367673 /nfs/dbraw/zinc/36/76/73/1042367673.db2.gz OHWNETDGYGHDIH-UHFFFAOYSA-N 0 0 396.272 3.695 20 10 GHCDRN [O-]c1c(Cl)cc(F)cc1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC001237799374 1042376519 /nfs/dbraw/zinc/37/65/19/1042376519.db2.gz ARVXXMRORSKKOR-UHFFFAOYSA-N 0 0 388.668 3.981 20 10 GHCDRN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CCCC2(CCN(c3ncccn3)CC2)C1 ZINC001237799277 1042376756 /nfs/dbraw/zinc/37/67/56/1042376756.db2.gz GWEUYHAEZTYSQO-UHFFFAOYSA-N 0 0 390.890 3.857 20 10 GHCDRN CC(C)(C)OC(=O)N1CC([C@H]2CC[N@H+](Cc3cc(F)c(Cl)cc3[O-])C2)C1 ZINC001237935022 1042427542 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Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)sc1C=O ZINC001292382130 1043711440 /nfs/dbraw/zinc/71/14/40/1043711440.db2.gz NHCFWQCPLTWYKW-SFHVURJKSA-N 0 0 386.517 3.756 20 10 GHCDRN CCC1(Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccccc2O)CCC1 ZINC001292427407 1043728831 /nfs/dbraw/zinc/72/88/31/1043728831.db2.gz KYYRMSXKOXKZCA-UHFFFAOYSA-N 0 0 380.496 3.601 20 10 GHCDRN COc1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)cc1Br ZINC001292508147 1043768515 /nfs/dbraw/zinc/76/85/15/1043768515.db2.gz LBIAWGUAHDUDRY-UHFFFAOYSA-N 0 0 391.225 3.550 20 10 GHCDRN COc1ccc2c(c1)[C@H](Cc1nnc(-c3ccc(-n4cccc4)cc3)o1)C(=O)N2 ZINC001256961081 1043774510 /nfs/dbraw/zinc/77/45/10/1043774510.db2.gz JHVIBTCFYSYSMR-SFHVURJKSA-N 0 0 386.411 3.814 20 10 GHCDRN c1ccn(-c2ccc(-c3nnc(-c4cnc(OC5CCOCC5)cn4)o3)cc2)c1 ZINC001256981771 1043783944 /nfs/dbraw/zinc/78/39/44/1043783944.db2.gz PKPXHNKYVYLGSK-UHFFFAOYSA-N 0 0 389.415 3.542 20 10 GHCDRN Cc1cc(C(=O)N2CCNC(=O)[C@H]2C(C)C)c(C)n1-c1ccc(C(C)C)cc1 ZINC001292827034 1043901762 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Cc1ccc(N2CCCC2)c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000116718930 883774748 /nfs/dbraw/zinc/77/47/48/883774748.db2.gz NXYZAHKTWVTTPP-UHFFFAOYSA-N 0 0 393.531 3.704 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2CCCc3nc(C)ncc32)c1 ZINC000859432305 883810627 /nfs/dbraw/zinc/81/06/27/883810627.db2.gz RBUGUFAUUCNAFL-JOCHJYFZSA-N 0 0 388.471 3.812 20 10 GHCDRN O=C1N(CC(F)(F)F)CC[C@]12CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001275235602 912763967 /nfs/dbraw/zinc/76/39/67/912763967.db2.gz CLHNGJNKGQEXMU-HNNXBMFYSA-N 0 0 397.224 3.686 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCCC3(CCOCC3)C2)cc1 ZINC000859597352 883923746 /nfs/dbraw/zinc/92/37/46/883923746.db2.gz PGZTWWBJXRHFMF-UHFFFAOYSA-N 0 0 394.515 3.868 20 10 GHCDRN C[C@@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc[nH]1 ZINC000760348810 883985139 /nfs/dbraw/zinc/98/51/39/883985139.db2.gz VTBCJVJTUYMGTR-CYBMUJFWSA-N 0 0 378.423 3.645 20 10 GHCDRN CN(C)c1ccc(CNC(=O)Nc2ccc(N=S(C)(C)=O)cc2)cc1F ZINC000888230586 883992743 /nfs/dbraw/zinc/99/27/43/883992743.db2.gz BKLYDVNABWKPGE-UHFFFAOYSA-N 0 0 378.473 3.573 20 10 GHCDRN Cc1c(N)cccc1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000859731999 884019812 /nfs/dbraw/zinc/01/98/12/884019812.db2.gz WQLWLWVVHSDZEL-OKILXGFUSA-N 0 0 386.471 3.652 20 10 GHCDRN Cc1cc(C(=O)NCCS(=O)(=O)c2ccccc2)c(C)n1-c1cccc(C)c1 ZINC000918590773 884021592 /nfs/dbraw/zinc/02/15/92/884021592.db2.gz IOWRSYZJWFUVGI-UHFFFAOYSA-N 0 0 396.512 3.606 20 10 GHCDRN O=C(CC1CCC(F)(F)CC1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000859734139 884023092 /nfs/dbraw/zinc/02/30/92/884023092.db2.gz LJGZTBGYEQWHPQ-UHFFFAOYSA-N 0 0 384.442 3.619 20 10 GHCDRN CCC1(CNC(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)CCOCC1 ZINC000859775400 884054409 /nfs/dbraw/zinc/05/44/09/884054409.db2.gz SOJOBBVRNFQSHX-UHFFFAOYSA-N 0 0 382.504 3.772 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC[C@@]3(CCCOC3)C2)c1 ZINC000859813306 884083868 /nfs/dbraw/zinc/08/38/68/884083868.db2.gz AJVJEVWWRAVBFX-HSZRJFAPSA-N 0 0 380.488 3.939 20 10 GHCDRN CN(C)c1ccc(C[NH2+][C@H](C(=O)[O-])c2ccc3c(c2)CCO3)c(C(F)(F)F)c1 ZINC000859817700 884086908 /nfs/dbraw/zinc/08/69/08/884086908.db2.gz RXDAVTGUYZMIAK-SFHVURJKSA-N 0 0 394.393 3.622 20 10 GHCDRN COc1cc(CNC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)ccn1 ZINC000914536853 884108079 /nfs/dbraw/zinc/10/80/79/884108079.db2.gz HQGNOWIMTPRMSP-UHFFFAOYSA-N 0 0 378.476 3.540 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCC(c3c[nH]cn3)CC2)ccc1C ZINC000859945034 884195224 /nfs/dbraw/zinc/19/52/24/884195224.db2.gz JSIRDAHBPAIPMM-UHFFFAOYSA-N 0 0 390.487 3.958 20 10 GHCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@H]3c3ccc(F)cc3)CC2)cc1F ZINC000859965943 884218421 /nfs/dbraw/zinc/21/84/21/884218421.db2.gz KSXQJLKNMZKACQ-RBUKOAKNSA-N 0 0 386.442 3.816 20 10 GHCDRN CC(C)=CCN1CC[C@]2(CCCN2Cc2cc(Br)ccc2O)C1=O ZINC001275242242 912803781 /nfs/dbraw/zinc/80/37/81/912803781.db2.gz SMDVISXOXDGAFE-LJQANCHMSA-N 0 0 393.325 3.688 20 10 GHCDRN CC[C@@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2cc(Br)ccc2O)C1=O ZINC001275242527 912804577 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Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC[C@@H]2C2CCOCC2)cc1 ZINC000860635087 884866339 /nfs/dbraw/zinc/86/63/39/884866339.db2.gz PSTALUNYPNHBMW-HSZRJFAPSA-N 0 0 394.515 3.867 20 10 GHCDRN COCCN(Cc1ccc(Br)cn1)c1ccc(OC)c(OC)c1 ZINC000174799797 884869528 /nfs/dbraw/zinc/86/95/28/884869528.db2.gz RMZHBYYRGSWIEO-UHFFFAOYSA-N 0 0 381.270 3.514 20 10 GHCDRN COc1cccc(CNC(=O)Nc2ccc(C(=O)OC(C)(C)C)c(C)c2)c1O ZINC000761897475 884940273 /nfs/dbraw/zinc/94/02/73/884940273.db2.gz JCIKYICCBZJEOR-UHFFFAOYSA-N 0 0 386.448 3.986 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@]2(C)CC(c3ccccc3Cl)=NO2)c1 ZINC000806793244 884990818 /nfs/dbraw/zinc/99/08/18/884990818.db2.gz RDBMZDRWDVDWGX-ODXCJYRJSA-N 0 0 388.851 3.815 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000806869139 885071384 /nfs/dbraw/zinc/07/13/84/885071384.db2.gz KWXABQGTCOUWRU-ROUUACIJSA-N 0 0 382.504 3.829 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)c1 ZINC000761981948 885087437 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CC[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1C)C(C)(C)c1ccccc1 ZINC000807103537 885242842 /nfs/dbraw/zinc/24/28/42/885242842.db2.gz RPEFJOUZNCNNDU-NRFANRHFSA-N 0 0 395.547 3.550 20 10 GHCDRN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807141053 885259982 /nfs/dbraw/zinc/25/99/82/885259982.db2.gz POTWBGJLQZWHMU-LPHOPBHVSA-N 0 0 390.528 3.514 20 10 GHCDRN C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)c1ccc(N(C)C)cc1 ZINC000807141945 885260655 /nfs/dbraw/zinc/26/06/55/885260655.db2.gz XPBCMBXFPYKMQQ-SPEDKVCISA-N 0 0 380.536 3.776 20 10 GHCDRN CCC(C)(C)[C@H](C)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC001130880426 885314806 /nfs/dbraw/zinc/31/48/06/885314806.db2.gz YTSVEZDUNAASMI-LBPRGKRZSA-N 0 0 394.427 3.925 20 10 GHCDRN CO[C@H](CCNC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1)C(F)(F)F ZINC000861222670 885329414 /nfs/dbraw/zinc/32/94/14/885329414.db2.gz YMHNKJJQFSPTMD-GOSISDBHSA-N 0 0 396.409 3.533 20 10 GHCDRN C[C@H](CCC(C)(C)C)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000807277110 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CCc1csc(-n2cc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cn2)n1 ZINC000762463846 886262367 /nfs/dbraw/zinc/26/23/67/886262367.db2.gz YARUKVVTTWFICQ-UHFFFAOYSA-N 0 0 395.532 3.762 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3ccc4c(C)cc(=O)[nH]c4c3)CC2)cc1 ZINC000808356352 886299971 /nfs/dbraw/zinc/29/99/71/886299971.db2.gz XTRPWVIUXLFSAI-UHFFFAOYSA-N 0 0 391.471 3.656 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1ccnc(C(F)(F)F)c1 ZINC000808386069 886316711 /nfs/dbraw/zinc/31/67/11/886316711.db2.gz VXCVJCQGVFHMKF-UHFFFAOYSA-N 0 0 381.423 3.584 20 10 GHCDRN COc1ccc(S(=O)(=O)NCCCSc2nccs2)c2ccccc12 ZINC000733900101 886319838 /nfs/dbraw/zinc/31/98/38/886319838.db2.gz UCIFKBCSKBGDLD-UHFFFAOYSA-N 0 0 394.543 3.766 20 10 GHCDRN CCNC(=O)c1cccc(NC(=O)N(C)Cc2ccc(N(CC)CC)cc2)c1 ZINC000915328450 886346839 /nfs/dbraw/zinc/34/68/39/886346839.db2.gz BXMHZVJEMCVOEO-UHFFFAOYSA-N 0 0 382.508 3.946 20 10 GHCDRN COC(=O)c1cnc([C@@H]2CCCN(Cc3cc(F)c(N(C)C)cc3F)C2)s1 ZINC000862420127 886363207 /nfs/dbraw/zinc/36/32/07/886363207.db2.gz 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Cc1n[nH]cc1-c1nnc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)s1 ZINC000780403707 930507874 /nfs/dbraw/zinc/50/78/74/930507874.db2.gz WASWJAZDYVEDKL-UHFFFAOYSA-N 0 0 399.480 3.747 20 10 GHCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cn(-c2cccc(Cl)c2)nn1 ZINC000780504070 930535416 /nfs/dbraw/zinc/53/54/16/930535416.db2.gz JLQIWDVNVPLIEF-UHFFFAOYSA-N 0 0 395.894 3.841 20 10 GHCDRN CCOCc1cc(CN(C)c2cc(OC)c(OC)c(OC)c2)ccc1OC ZINC000780774204 930595233 /nfs/dbraw/zinc/59/52/33/930595233.db2.gz HZPZWSKPFBMHTB-UHFFFAOYSA-N 0 0 375.465 3.894 20 10 GHCDRN CCOc1ccc(CN2C[C@@H](CCN3CCCC3=O)c3ccccc32)c(O)c1 ZINC000780779121 930596243 /nfs/dbraw/zinc/59/62/43/930596243.db2.gz OSKCGTUUVIVLGX-QGZVFWFLSA-N 0 0 380.488 3.907 20 10 GHCDRN O=S(=O)(c1cccc(C(F)F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000780790685 930599030 /nfs/dbraw/zinc/59/90/30/930599030.db2.gz YZFYMEKGGWERBL-INIZCTEOSA-N 0 0 397.443 3.700 20 10 GHCDRN COc1cc(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)ccc1F ZINC000546998144 930599901 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CC(=O)N[C@H]1Cc2ccccc2N(Cc2cc(C)cc(Br)c2O)C1 ZINC000781921433 931029447 /nfs/dbraw/zinc/02/94/47/931029447.db2.gz UAKSYFJDIHHKBD-INIZCTEOSA-N 0 0 389.293 3.531 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccc(Br)cc1O ZINC000781923158 931031362 /nfs/dbraw/zinc/03/13/62/931031362.db2.gz OIMKQMXSQLMMIM-UHFFFAOYSA-N 0 0 378.266 3.842 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Cc2cccc(N3CCCC3=O)c2)cc1 ZINC000782072685 931080940 /nfs/dbraw/zinc/08/09/40/931080940.db2.gz URVTWPIVGCKWQR-UHFFFAOYSA-N 0 0 393.531 3.861 20 10 GHCDRN CSc1cccc(-n2c(C)cc(C(=O)COC(=O)Cc3ccn(C)n3)c2C)c1 ZINC000782385220 931202922 /nfs/dbraw/zinc/20/29/22/931202922.db2.gz KKBRRVFIIXBJBG-UHFFFAOYSA-N 0 0 397.500 3.518 20 10 GHCDRN COCCN(Cc1cncn1Cc1ccccc1)c1ccc(OC)c(OC)c1 ZINC000782516041 931250993 /nfs/dbraw/zinc/25/09/93/931250993.db2.gz PFQFHPJZMHHOEC-UHFFFAOYSA-N 0 0 381.476 3.602 20 10 GHCDRN COc1ccc2cc(C=CC(=O)OCC(=O)c3ccc(O)c(O)c3)ccc2c1 ZINC000782539400 931262232 /nfs/dbraw/zinc/26/22/32/931262232.db2.gz 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ZINC000784306187 931851322 /nfs/dbraw/zinc/85/13/22/931851322.db2.gz SSGQYXXIDXPGKM-UHFFFAOYSA-N 0 0 385.597 3.553 20 10 GHCDRN COc1ccc(C2(CNC(=O)NCc3ccc(N4CC=CC4)cc3)CCC2)cc1 ZINC000784336195 931861036 /nfs/dbraw/zinc/86/10/36/931861036.db2.gz RHNLMPLWMBTHLH-UHFFFAOYSA-N 0 0 391.515 3.993 20 10 GHCDRN Cc1ccc(CCC(=O)OCC(=O)c2ccc(O)c(O)c2)c(Br)c1 ZINC000784802746 932006940 /nfs/dbraw/zinc/00/69/40/932006940.db2.gz WTSPQGSLRIKXEX-UHFFFAOYSA-N 0 0 393.233 3.527 20 10 GHCDRN CCc1c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)nnn1Cc1ccc(F)cc1 ZINC000784893889 932020506 /nfs/dbraw/zinc/02/05/06/932020506.db2.gz NZTMZIAFKVGABV-OAHLLOKOSA-N 0 0 395.482 3.585 20 10 GHCDRN CC[C@H]([NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000796716577 932041801 /nfs/dbraw/zinc/04/18/01/932041801.db2.gz MAZMIRQDUXFDAH-PMACEKPBSA-N 0 0 376.447 3.785 20 10 GHCDRN CC(C)(C)OCCCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000796739916 932049109 /nfs/dbraw/zinc/04/91/09/932049109.db2.gz BCAUUFWNXLHCNQ-HNNXBMFYSA-N 0 0 384.467 3.968 20 10 GHCDRN CC[C@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)c1ccc(F)cc1[O-] ZINC000796973777 932131901 /nfs/dbraw/zinc/13/19/01/932131901.db2.gz AWVSBRLMLFHBRV-GOEBONIOSA-N 0 0 381.245 3.561 20 10 GHCDRN C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000797189488 932218256 /nfs/dbraw/zinc/21/82/56/932218256.db2.gz MPKDFEFNGOWEPO-HNNXBMFYSA-N 0 0 388.464 3.675 20 10 GHCDRN Cn1c(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc2ccccc2c1=O ZINC000797191601 932219435 /nfs/dbraw/zinc/21/94/35/932219435.db2.gz VBTHXKPRSFHSSP-UHFFFAOYSA-N 0 0 388.423 3.680 20 10 GHCDRN CCOc1ccc(O)c(CNc2ccc(Cl)c(CN3CCOCC3)c2)c1 ZINC000797469704 932294750 /nfs/dbraw/zinc/29/47/50/932294750.db2.gz XCHPFUQWTDGQSY-UHFFFAOYSA-N 0 0 376.884 3.889 20 10 GHCDRN COc1ccc(CNC(=O)Nc2cc3c(cc2Cl)OCCCO3)c(O)c1 ZINC000797610399 932343664 /nfs/dbraw/zinc/34/36/64/932343664.db2.gz NWSVHQZPNTYHNB-UHFFFAOYSA-N 0 0 378.812 3.537 20 10 GHCDRN CCOC(=O)c1cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)ccc1Cl ZINC000797617318 932345826 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20 10 GHCDRN CC(C)(C(=O)OCC(=O)c1ccc(O)c(O)c1)c1ccccc1Br ZINC000798730115 932758213 /nfs/dbraw/zinc/75/82/13/932758213.db2.gz CKJJYDFWUOSKGH-UHFFFAOYSA-N 0 0 393.233 3.564 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@@H]([C@@]2(C)COC(=O)N2)C1 ZINC000928026159 932769476 /nfs/dbraw/zinc/76/94/76/932769476.db2.gz HYWSZFBFNNKDOF-FOIQADDNSA-N 0 0 387.505 3.506 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(C2CCC2)c1 ZINC000798974056 932844935 /nfs/dbraw/zinc/84/49/35/932844935.db2.gz ZGAPPCDVKRBLAQ-UHFFFAOYSA-N 0 0 382.479 3.984 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)CSCC(C)(C)C)cc2F)C[C@@H](C)O1 ZINC000799306810 932946067 /nfs/dbraw/zinc/94/60/67/932946067.db2.gz XAUIAEBRQBBPFV-HUUCEWRRSA-N 0 0 382.545 3.835 20 10 GHCDRN CCn1ncc2cc(C(=O)Nc3c(-c4ccccn4)nc4ccccn43)c(C)nc21 ZINC000799348052 932960665 /nfs/dbraw/zinc/96/06/65/932960665.db2.gz WTYUGMXMNMHKRK-UHFFFAOYSA-N 0 0 397.442 3.722 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2nc3cc(Cl)ccc3n2C)c1 ZINC000777689935 932964234 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C[C@@H]1CCCN(c2ccc(CNC(=O)NO[C@H]3CCCCO3)cc2Cl)C1 ZINC000799984690 933200832 /nfs/dbraw/zinc/20/08/32/933200832.db2.gz NITUTCRDRRCVIH-KDOFPFPSSA-N 0 0 381.904 3.834 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)N(C)C[C@@H]3CCCO3)cc2Cl)C1 ZINC000799994047 933206783 /nfs/dbraw/zinc/20/67/83/933206783.db2.gz HSHSHOQWQIEXHE-RDJZCZTQSA-N 0 0 379.932 3.897 20 10 GHCDRN C[C@H](CC1CCCCC1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC001116069805 933317356 /nfs/dbraw/zinc/31/73/56/933317356.db2.gz NYGMDUXHOINWCA-XLIONFOSSA-N 0 0 385.552 3.611 20 10 GHCDRN COC(=O)[C@H]1CCC[C@H]1NC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001116131387 933352615 /nfs/dbraw/zinc/35/26/15/933352615.db2.gz OZGIJPLAQQGUKT-RBUKOAKNSA-N 0 0 388.895 3.748 20 10 GHCDRN O=C(NCCCSc1nccs1)Nc1cc(N2CCOC2=O)ccc1F ZINC001116256006 933439175 /nfs/dbraw/zinc/43/91/75/933439175.db2.gz TUUFIBZEBYPDLH-UHFFFAOYSA-N 0 0 396.469 3.543 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC001116858309 933797086 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CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1Cc1c([O-])cc(F)cc1F ZINC001140583478 1022004353 /nfs/dbraw/zinc/00/43/53/1022004353.db2.gz INTMFGKUFMSFPI-IYOUNJFTSA-N 0 0 380.479 3.966 20 10 GHCDRN CC[C@@H]1[C@H](CO)CCN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000835553524 1022242469 /nfs/dbraw/zinc/24/24/69/1022242469.db2.gz XATHFDOTWXFAKM-HNAYVOBHSA-N 0 0 380.448 3.660 20 10 GHCDRN CCOC(=O)[C@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1cccc(O)c1 ZINC001137441956 1022286856 /nfs/dbraw/zinc/28/68/56/1022286856.db2.gz QLJJGBNGBOVNBH-OAQYLSRUSA-N 0 0 392.455 3.834 20 10 GHCDRN CCN(CC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C)Cc1cnn(C)c1 ZINC000827634853 1022311483 /nfs/dbraw/zinc/31/14/83/1022311483.db2.gz DXOZIFCVOBNFIU-UHFFFAOYSA-N 0 0 385.899 3.581 20 10 GHCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H]1CC12CCOCC2 ZINC000835829622 1022393950 /nfs/dbraw/zinc/39/39/50/1022393950.db2.gz QVJHTUQOFDZBJN-SFHVURJKSA-N 0 0 378.432 3.726 20 10 GHCDRN COc1ccc(N2CCN(c3nc4cc(C)nn4c4ccccc43)CC2)cc1F ZINC000754026111 1022431615 /nfs/dbraw/zinc/43/16/15/1022431615.db2.gz KMSZLMBIMAKSTN-UHFFFAOYSA-N 0 0 391.450 3.665 20 10 GHCDRN CC(C)(C)OC1CC(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000754224797 1022544785 /nfs/dbraw/zinc/54/47/85/1022544785.db2.gz QHMYOHBSEFOYEH-CUYAVPTFSA-N 0 0 375.509 3.884 20 10 GHCDRN COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c(F)c1 ZINC000754538544 1022760872 /nfs/dbraw/zinc/76/08/72/1022760872.db2.gz VPTBHXJLTTVMIV-UHFFFAOYSA-N 0 0 375.355 3.862 20 10 GHCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cc(F)cc2nccnc21 ZINC000754551112 1022763905 /nfs/dbraw/zinc/76/39/05/1022763905.db2.gz KREUEQYOPAFSSP-UHFFFAOYSA-N 0 0 397.365 3.797 20 10 GHCDRN COc1cc(C)cnc1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000754551485 1022764914 /nfs/dbraw/zinc/76/49/14/1022764914.db2.gz LBAUHXBETBXWEX-UHFFFAOYSA-N 0 0 381.398 3.669 20 10 GHCDRN COc1cc(CN2CCN(Cc3csc(C)n3)CC2)c(O)c(C(C)(C)C)c1 ZINC000754724201 1022858210 /nfs/dbraw/zinc/85/82/10/1022858210.db2.gz QJIOKMZMNSKKDN-UHFFFAOYSA-N 0 0 389.565 3.781 20 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/nfs/dbraw/zinc/07/70/29/1023077029.db2.gz LDIWADALWHVETP-NSHDSACASA-N 0 0 377.229 3.779 20 10 GHCDRN Oc1c(F)cc(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)cc1F ZINC001140993697 1023115638 /nfs/dbraw/zinc/11/56/38/1023115638.db2.gz DWFWTGKIMGCFBL-UHFFFAOYSA-N 0 0 388.336 3.891 20 10 GHCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(C(F)F)c2Cl)cc1 ZINC000755186867 1023116807 /nfs/dbraw/zinc/11/68/07/1023116807.db2.gz CTNXKOFOYDUULH-UHFFFAOYSA-N 0 0 381.810 3.599 20 10 GHCDRN CC(C)=CCC[C@@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000836565132 1023125363 /nfs/dbraw/zinc/12/53/63/1023125363.db2.gz PZQHGUIULIMEIX-MRXNPFEDSA-N 0 0 377.504 3.721 20 10 GHCDRN CC[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CCCC1 ZINC000836642907 1023203377 /nfs/dbraw/zinc/20/33/77/1023203377.db2.gz ZHFODLOQUUQCEL-IBGZPJMESA-N 0 0 377.504 3.555 20 10 GHCDRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000755341978 1023204681 /nfs/dbraw/zinc/20/46/81/1023204681.db2.gz ABHZGRBOEONSEF-IAGOWNOFSA-N 0 0 389.540 3.842 20 10 GHCDRN O[C@H](COc1ccc(N2CCCC2)cc1)COc1cccc(Br)c1 ZINC000755344103 1023205309 /nfs/dbraw/zinc/20/53/09/1023205309.db2.gz AZQSUDYIMDPLKO-QGZVFWFLSA-N 0 0 392.293 3.868 20 10 GHCDRN COc1cc(O)c(CN2CC(Oc3ccc(C(F)(F)F)cc3)C2)c(OC)c1 ZINC001141032989 1023301272 /nfs/dbraw/zinc/30/12/72/1023301272.db2.gz WCXALZYEUXVJEX-UHFFFAOYSA-N 0 0 383.366 3.691 20 10 GHCDRN CCOC(=O)CN1C(=O)/C(=C/c2cnc(-c3ccncc3)s2)c2ccccc21 ZINC000755607294 1023311528 /nfs/dbraw/zinc/31/15/28/1023311528.db2.gz WUAFPINJYPIKNT-GZTJUZNOSA-N 0 0 391.452 3.655 20 10 GHCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CC[C@@H]4CCCC[C@H]4C3)cc2)C1 ZINC000755607740 1023312800 /nfs/dbraw/zinc/31/28/00/1023312800.db2.gz DISYNIDEVGDZQO-UWHLTILDSA-N 0 0 397.563 3.611 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(F)c(S(C)(=O)=O)c1 ZINC000836734224 1023323055 /nfs/dbraw/zinc/32/30/55/1023323055.db2.gz HHAKKSVUGRDEGE-UHFFFAOYSA-N 0 0 394.468 3.769 20 10 GHCDRN Cc1cc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc(C(N)=O)c1 ZINC000836735763 1023323677 /nfs/dbraw/zinc/32/36/77/1023323677.db2.gz SBBRXUVVRKULER-UHFFFAOYSA-N 0 0 380.492 3.748 20 10 GHCDRN CCc1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1OC ZINC000836752062 1023340182 /nfs/dbraw/zinc/34/01/82/1023340182.db2.gz MDDZREHEWXETRG-UHFFFAOYSA-N 0 0 387.455 3.555 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccc(C)cc2S(C)(=O)=O)cc1 ZINC000836762504 1023346658 /nfs/dbraw/zinc/34/66/58/1023346658.db2.gz PEZBNQRERCGNPG-UHFFFAOYSA-N 0 0 389.521 3.566 20 10 GHCDRN CN1CCCc2cc(CNC(=O)Nc3cnn(-c4ccccc4F)c3)ccc21 ZINC000755838492 1023398444 /nfs/dbraw/zinc/39/84/44/1023398444.db2.gz WQMCZXVFHYXEIJ-UHFFFAOYSA-N 0 0 379.439 3.716 20 10 GHCDRN O=C(N[C@H]1CCCN(C(=O)C2=CC(=O)CS2)C1)c1ccc2ccccc2c1 ZINC000755868438 1023409432 /nfs/dbraw/zinc/40/94/32/1023409432.db2.gz XQCOKVNEPXFDIN-KRWDZBQOSA-N 0 0 380.469 3.642 20 10 GHCDRN CCOC(=O)c1cc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)ccc1F ZINC000755983370 1023465322 /nfs/dbraw/zinc/46/53/22/1023465322.db2.gz DXGRWFPJWHZVMG-UHFFFAOYSA-N 0 0 395.452 3.941 20 10 GHCDRN O=C(CN1CCSC[C@@H]1CCO)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000756082938 1023515652 /nfs/dbraw/zinc/51/56/52/1023515652.db2.gz LLWNCANDSIFICR-IBGZPJMESA-N 0 0 384.505 3.840 20 10 GHCDRN C[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cc(F)cc(F)c1[O-] ZINC000756370479 1023614234 /nfs/dbraw/zinc/61/42/34/1023614234.db2.gz IZPDKGVBTPBRKX-DJJJIMSYSA-N 0 0 380.410 3.534 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(OCC(F)(F)F)c2)c1 ZINC000756431613 1023645644 /nfs/dbraw/zinc/64/56/44/1023645644.db2.gz ODGRSYJXWVCEJT-LBPRGKRZSA-N 0 0 383.366 3.971 20 10 GHCDRN CNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])c1 ZINC000756433705 1023646814 /nfs/dbraw/zinc/64/68/14/1023646814.db2.gz GHCDCUOLBSNLBW-LLVKDONJSA-N 0 0 383.275 3.675 20 10 GHCDRN Cc1ccc([C@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])N2CCOCC2)cc1 ZINC000756434170 1023646872 /nfs/dbraw/zinc/64/68/72/1023646872.db2.gz IYDJTVIVEHWNSR-YWZLYKJASA-N 0 0 376.447 3.703 20 10 GHCDRN COCCOc1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])cn1 ZINC000756434840 1023647740 /nfs/dbraw/zinc/64/77/40/1023647740.db2.gz URSBHKBWWVXFTE-NSHDSACASA-N 0 0 399.260 3.565 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCc2ccc(Br)s2)c1 ZINC000756457150 1023661785 /nfs/dbraw/zinc/66/17/85/1023661785.db2.gz PFANNWDATNIQQN-SNVBAGLBSA-N 0 0 384.295 3.896 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCc2cn(-c3ccccc3)nc2C)c1 ZINC000756477024 1023674979 /nfs/dbraw/zinc/67/49/79/1023674979.db2.gz WDKRHWCKJKZNPK-KRWDZBQOSA-N 0 0 393.487 3.956 20 10 GHCDRN C[C@H]([NH2+]CCN1Cc2ccccc2C1)c1cc(Br)cc(F)c1[O-] ZINC000756478101 1023676042 /nfs/dbraw/zinc/67/60/42/1023676042.db2.gz FGISEHKVJYBJAT-LBPRGKRZSA-N 0 0 379.273 3.960 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000756482777 1023679465 /nfs/dbraw/zinc/67/94/65/1023679465.db2.gz LHPQELNOLFFZLH-YEJXKQKISA-N 0 0 383.444 3.752 20 10 GHCDRN COc1ccc(Br)c(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756491689 1023683001 /nfs/dbraw/zinc/68/30/01/1023683001.db2.gz XNPQEWNZUDANAE-SNVBAGLBSA-N 0 0 381.226 3.922 20 10 GHCDRN COc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1Br ZINC000756525958 1023697919 /nfs/dbraw/zinc/69/79/19/1023697919.db2.gz OOLOOQVMDUXCGZ-JTQLQIEISA-N 0 0 381.226 3.922 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccc(F)cc1[O-] ZINC000756606080 1023734430 /nfs/dbraw/zinc/73/44/30/1023734430.db2.gz ATTPYOXCDWERJQ-YVEFUNNKSA-N 0 0 394.393 3.979 20 10 GHCDRN C[C@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1cc(Br)c(F)cc1[O-] ZINC000756712486 1023784022 /nfs/dbraw/zinc/78/40/22/1023784022.db2.gz QXGOKTXSLOLPLB-RMLUDKJBSA-N 0 0 390.199 3.956 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)c2c(Cl)cccc2Cl)c1 ZINC000756737476 1023793779 /nfs/dbraw/zinc/79/37/79/1023793779.db2.gz GUQPCJIEBCWFRS-HWPZZCPQSA-N 0 0 384.259 3.870 20 10 GHCDRN C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cc(Br)cc(Cl)c1[O-] ZINC000756784613 1023814825 /nfs/dbraw/zinc/81/48/25/1023814825.db2.gz PJDYRIUXSIJDSE-KBUNVGBDSA-N 0 0 376.600 3.772 20 10 GHCDRN CC[NH+]1CCN(c2ccc(N[C@H](C)c3cc([N+](=O)[O-])ccc3[O-])c(C)c2)CC1 ZINC000756792920 1023817922 /nfs/dbraw/zinc/81/79/22/1023817922.db2.gz PLZFTTZKYCGBLZ-MRXNPFEDSA-N 0 0 384.480 3.924 20 10 GHCDRN C[C@H](C(=O)Nc1ccc(N[C@@H](C)c2cc(F)cc(F)c2O)cc1)n1cncn1 ZINC000756851792 1023834946 /nfs/dbraw/zinc/83/49/46/1023834946.db2.gz VHQZSMDUGCOAKR-NWDGAFQWSA-N 0 0 387.390 3.635 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)C(F)(F)c3c(F)cccc3F)CC2)cc1 ZINC000756965289 1023889786 /nfs/dbraw/zinc/88/97/86/1023889786.db2.gz PAQDIBIJMMMJIW-UHFFFAOYSA-N 0 0 396.384 3.850 20 10 GHCDRN Nc1ccc2c(c1NC(=O)c1cccc3cnsc31)C(=O)c1ccccc1C2=O ZINC001156668276 1033171283 /nfs/dbraw/zinc/17/12/83/1033171283.db2.gz OXJNQEFZSLRFAD-UHFFFAOYSA-N 0 0 399.431 3.906 20 10 GHCDRN CC(C)Cc1c[nH]c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 ZINC001626159138 1023932213 /nfs/dbraw/zinc/93/22/13/1023932213.db2.gz RVZKANKOXYBLLL-HZPDHXFCSA-N 0 0 387.499 3.896 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC2(CC(F)(F)CN2Cc2cc(O)ccc2O)CC1 ZINC001141156709 1023981516 /nfs/dbraw/zinc/98/15/16/1023981516.db2.gz RLGJCXDYCKJUMS-UHFFFAOYSA-N 0 0 398.450 3.709 20 10 GHCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H]2OCCC[C@]2(COCc2ccccn2)C1 ZINC001138126972 1024174074 /nfs/dbraw/zinc/17/40/74/1024174074.db2.gz OKNOSUNNRAGDDK-IFMALSPDSA-N 0 0 386.467 3.514 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2CCO[C@@H](c3nccn3C)C2)c(C)n1-c1ccccc1C ZINC000837179395 1024194646 /nfs/dbraw/zinc/19/46/46/1024194646.db2.gz VENRFXJFKSUAOF-WIYYLYMNSA-N 0 0 392.503 3.786 20 10 GHCDRN COc1ccc(Oc2ccc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)nc2)cc1 ZINC001138152292 1024247330 /nfs/dbraw/zinc/24/73/30/1024247330.db2.gz DEHKVPZQQWBZRY-CQSZACIVSA-N 0 0 394.427 3.655 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)c3cn(C)nc3Cl)cc2Cl)C1 ZINC000831277419 1024466815 /nfs/dbraw/zinc/46/68/15/1024466815.db2.gz WYCDZZGHLZPSBP-GFCCVEGCSA-N 0 0 381.307 3.893 20 10 GHCDRN COCCCCC(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C ZINC000837484305 1024494355 /nfs/dbraw/zinc/49/43/55/1024494355.db2.gz ZYFQYHRZWSDDCU-UHFFFAOYSA-N 0 0 378.856 3.685 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2cc(C(C)C)n(C)n2)c(C)n1-c1ccc(F)cn1 ZINC000837559888 1024553112 /nfs/dbraw/zinc/55/31/12/1024553112.db2.gz ZPROGJDATYBSSD-UHFFFAOYSA-N 0 0 398.438 3.525 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)Cc1ccccc1O[C@@H]1CCOC1 ZINC000831416650 1024553261 /nfs/dbraw/zinc/55/32/61/1024553261.db2.gz RVXCUAOYWFETHB-HXUWFJFHSA-N 0 0 383.488 3.931 20 10 GHCDRN COC[C@@H](C)CC(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C ZINC000837576639 1024561836 /nfs/dbraw/zinc/56/18/36/1024561836.db2.gz SOSVHRFCYXDINK-LBPRGKRZSA-N 0 0 378.856 3.541 20 10 GHCDRN CS[C@H](C)CCC(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000837613796 1024587294 /nfs/dbraw/zinc/58/72/94/1024587294.db2.gz YALIDNBXBVOQPM-CYBMUJFWSA-N 0 0 378.469 3.886 20 10 GHCDRN COC1CCC(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)CC1 ZINC000837651711 1024610693 /nfs/dbraw/zinc/61/06/93/1024610693.db2.gz HBRWXAFKDOXDAS-UHFFFAOYSA-N 0 0 388.439 3.559 20 10 GHCDRN C[C@H](CCCc1cccnc1)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000837651635 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GHCDRN Oc1c(CN2CC(Oc3ccc(F)c(F)c3)C2)cc2c3c1CCCN3CCC2 ZINC001138336588 1024697823 /nfs/dbraw/zinc/69/78/23/1024697823.db2.gz CGWALZYBPVHZLD-UHFFFAOYSA-N 0 0 386.442 3.632 20 10 GHCDRN Cn1c(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)nc2ccccc21 ZINC001138381201 1024749551 /nfs/dbraw/zinc/74/95/51/1024749551.db2.gz DLHKUODDJDGMCE-UHFFFAOYSA-N 0 0 390.409 3.794 20 10 GHCDRN CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141372987 1024761833 /nfs/dbraw/zinc/76/18/33/1024761833.db2.gz IDAZPTKQORDIHX-SNVBAGLBSA-N 0 0 376.678 3.583 20 10 GHCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CCc2cncn2C1 ZINC000831707267 1024766970 /nfs/dbraw/zinc/76/69/70/1024766970.db2.gz YZWIOWPCHRFDRW-YLJYHZDGSA-N 0 0 375.472 3.941 20 10 GHCDRN C[C@H](Cc1cccc(F)c1)N(C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000837883575 1024780685 /nfs/dbraw/zinc/78/06/85/1024780685.db2.gz ZSXTZUABRURLAM-QZTJIDSGSA-N 0 0 399.510 3.996 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N(C)[C@@H](CO)c3ccccc3)cc2)CC1 ZINC000838376318 1025093300 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20 10 GHCDRN CCOC(=O)[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccccc1 ZINC001141505932 1025313701 /nfs/dbraw/zinc/31/37/01/1025313701.db2.gz HZUNLZYJAHSMSH-NRFANRHFSA-N 0 0 380.488 3.591 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1CCOC(C)(C)C1 ZINC000838734962 1025336950 /nfs/dbraw/zinc/33/69/50/1025336950.db2.gz LDWYQODDZNRFCI-ZDUSSCGKSA-N 0 0 399.329 3.891 20 10 GHCDRN CC1(C2CC2)CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000838740132 1025339467 /nfs/dbraw/zinc/33/94/67/1025339467.db2.gz SJHJWGUJCRJMDA-UHFFFAOYSA-N 0 0 393.478 3.523 20 10 GHCDRN CC(C)[C@H]1CCCCN1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838747864 1025343642 /nfs/dbraw/zinc/34/36/42/1025343642.db2.gz YXGREMMBOJWDAS-GOSISDBHSA-N 0 0 381.467 3.522 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)Nc1cc(F)ccc1Cl ZINC000838912974 1025439703 /nfs/dbraw/zinc/43/97/03/1025439703.db2.gz SYIXWZQLPGTCCJ-UHFFFAOYSA-N 0 0 399.800 3.916 20 10 GHCDRN Cc1c[nH]c(CN2CCc3c(Cl)c(O)c(O)cc3[C@H](c3ccc(O)cc3)C2)n1 ZINC001138938340 1025616029 /nfs/dbraw/zinc/61/60/29/1025616029.db2.gz INPYCUKKUKAWDW-KRWDZBQOSA-N 0 0 399.878 3.679 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC000839181055 1025690801 /nfs/dbraw/zinc/69/08/01/1025690801.db2.gz DJYGEOICFKMKQH-SECBINFHSA-N 0 0 387.383 3.857 20 10 GHCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1Cc1ccccc1Br ZINC001162271975 1025698783 /nfs/dbraw/zinc/69/87/83/1025698783.db2.gz XOXIQZZRDNGYJE-HNNXBMFYSA-N 0 0 390.277 3.637 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCN1Cc1ccc(OC)cc1 ZINC001139123808 1025938274 /nfs/dbraw/zinc/93/82/74/1025938274.db2.gz KKQQZSQQBCAZQO-NRFANRHFSA-N 0 0 382.504 3.804 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC001139126227 1025939378 /nfs/dbraw/zinc/93/93/78/1025939378.db2.gz BNPRILIPEORTPQ-UHFFFAOYSA-N 0 0 377.440 3.902 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001139127271 1025939407 /nfs/dbraw/zinc/93/94/07/1025939407.db2.gz SXIMHNZTIZMLHE-GOSISDBHSA-N 0 0 378.472 3.513 20 10 GHCDRN CCOC(=O)C1(C(C)C)CC[NH+](Cc2c([O-])ccc3c(C)cc(=O)oc32)CC1 ZINC001139133190 1025944651 /nfs/dbraw/zinc/94/46/51/1025944651.db2.gz DNAPJPWPIIGQLI-UHFFFAOYSA-N 0 0 387.476 3.608 20 10 GHCDRN Cc1ccnc(O[C@H]2CCC[N@H+](Cc3c([O-])ccc4c(C)cc(=O)oc43)C2)c1 ZINC001139133849 1025946766 /nfs/dbraw/zinc/94/67/66/1025946766.db2.gz TZSAQJJHANPCMA-INIZCTEOSA-N 0 0 380.444 3.554 20 10 GHCDRN Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001139150726 1025968939 /nfs/dbraw/zinc/96/89/39/1025968939.db2.gz BYJMUEBSBXYKOF-LJQANCHMSA-N 0 0 389.415 3.886 20 10 GHCDRN COc1cc(Cl)c(F)c(C(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000839546018 1026041207 /nfs/dbraw/zinc/04/12/07/1026041207.db2.gz QMSKXGJKZHCADM-UHFFFAOYSA-N 0 0 394.899 3.971 20 10 GHCDRN CC[C@H](C)C[C@@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)OC ZINC001163178142 1026078868 /nfs/dbraw/zinc/07/88/68/1026078868.db2.gz YOWFSFSLODGLLH-VBKZILBWSA-N 0 0 386.492 3.810 20 10 GHCDRN CC[N@H+](Cc1ccccc1O)Cc1cc(Br)ccc1OCC(=O)[O-] ZINC001139242966 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20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cccnc1Br ZINC000839920627 1026347546 /nfs/dbraw/zinc/34/75/46/1026347546.db2.gz RPSLYWPNRFCNCN-ZDUSSCGKSA-N 0 0 376.298 3.580 20 10 GHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)Cc2ccc3n[nH]cc3c2)cc1 ZINC001163901589 1026355101 /nfs/dbraw/zinc/35/51/01/1026355101.db2.gz LHUVNRFTILKOOP-UHFFFAOYSA-N 0 0 390.409 3.763 20 10 GHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CSCc2ccncc2)cc1 ZINC001163902134 1026355138 /nfs/dbraw/zinc/35/51/38/1026355138.db2.gz NQZSAVIROKNPHC-UHFFFAOYSA-N 0 0 397.466 3.972 20 10 GHCDRN COc1c[nH]nc1NC(=O)c1cc(C)n(-c2ccccc2Br)c1C ZINC001164203612 1026450174 /nfs/dbraw/zinc/45/01/74/1026450174.db2.gz CWBFWFHEVVDEAU-UHFFFAOYSA-N 0 0 389.253 3.841 20 10 GHCDRN [O-]c1c(F)ccc(F)c1C[NH+]1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001139681135 1026535784 /nfs/dbraw/zinc/53/57/84/1026535784.db2.gz JAQUSTPUPHFJNF-UHFFFAOYSA-N 0 0 394.487 3.599 20 10 GHCDRN O=C(Cc1ccccc1)N1CCC[C@@]2(CC[N@@H+](Cc3cc(F)ccc3O)C2)C1 ZINC001140054100 1026833433 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CCN(CC)c1ccc(CNC(=O)N2CC[C@H](O)[C@@H]3CCCC[C@@H]32)cc1F ZINC001477847293 1078591574 /nfs/dbraw/zinc/59/15/74/1078591574.db2.gz FHSJUQDLBRBQTO-KPFFTGBYSA-N 0 0 377.504 3.507 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@]34COC[C@@]3(C2)CCCC4)cc1F ZINC001477846659 1078591628 /nfs/dbraw/zinc/59/16/28/1078591628.db2.gz NQQGLJQFKIPCFV-SZPZYZBQSA-N 0 0 389.515 3.774 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)NCc3ccc4c(c3)ncn4C)cc2)CC1 ZINC001468679153 1067821160 /nfs/dbraw/zinc/82/11/60/1067821160.db2.gz LJERXJUQDBPSNT-UHFFFAOYSA-N 0 0 391.519 3.809 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@H](Cc3ccccc3)C3CC3)C2)cc1 ZINC001468793630 1067886278 /nfs/dbraw/zinc/88/62/78/1067886278.db2.gz YUXSETSGTKGNJQ-SIKLNZKXSA-N 0 0 379.504 3.594 20 10 GHCDRN CCOc1cc(CNC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)ccc1OC ZINC001477913829 1078624805 /nfs/dbraw/zinc/62/48/05/1078624805.db2.gz WOOGYYVKZKSETJ-KRWDZBQOSA-N 0 0 399.535 3.899 20 10 GHCDRN COc1ccccc1-c1cc(C(=O)NCc2ccc3cccnc3c2O)no1 ZINC001469248428 1068059184 /nfs/dbraw/zinc/05/91/84/1068059184.db2.gz HUQHGPQDDYGRCI-UHFFFAOYSA-N 0 0 375.384 3.534 20 10 GHCDRN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1ccc2cccnc2c1O ZINC001469249070 1068059755 /nfs/dbraw/zinc/05/97/55/1068059755.db2.gz LTLRIKGHISCCGG-FQEVSTJZSA-N 0 0 387.439 3.521 20 10 GHCDRN O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000766035201 1068131631 /nfs/dbraw/zinc/13/16/31/1068131631.db2.gz UMEXJPQPZRRDKZ-YRNVUSSQSA-N 0 0 398.762 3.811 20 10 GHCDRN O=C(NCc1cccc(COCC(F)(F)F)c1)NCc1c(O)cccc1F ZINC001469492438 1068189251 /nfs/dbraw/zinc/18/92/51/1068189251.db2.gz GFJIFWRNYMCNBK-UHFFFAOYSA-N 0 0 386.345 3.610 20 10 GHCDRN CC(C)CCN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc2c(c1)CCCN2C ZINC001359919069 1068257814 /nfs/dbraw/zinc/25/78/14/1068257814.db2.gz WEESYGYPLCIDGG-HXUWFJFHSA-N 0 0 397.567 3.695 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](C)c2cc3n(n2)CCCC3)c1 ZINC001469622854 1068266100 /nfs/dbraw/zinc/26/61/00/1068266100.db2.gz OPRKRKAUHJUAAW-INIZCTEOSA-N 0 0 390.487 3.930 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@H](C)Oc1cccc(F)c1 ZINC001478034029 1078683518 /nfs/dbraw/zinc/68/35/18/1078683518.db2.gz YVNKCRCUYRHGMN-SJORKVTESA-N 0 0 387.499 3.898 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)N[C@H](c2ccn(C)n2)c2ccc(Cl)cc2)c1 ZINC001469708758 1068327497 /nfs/dbraw/zinc/32/74/97/1068327497.db2.gz HWABSLWTPAKAAQ-IBGZPJMESA-N 0 0 384.867 3.676 20 10 GHCDRN Cc1ccc(C2=NO[C@H](CNC(=O)NCc3cccc(Cl)c3O)C2)cc1C ZINC001469926973 1068474833 /nfs/dbraw/zinc/47/48/33/1068474833.db2.gz GRSXFHKMVWGBPC-INIZCTEOSA-N 0 0 387.867 3.655 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)NCC2CC(c3ccccc3)C2)cc1 ZINC001469955926 1068488203 /nfs/dbraw/zinc/48/82/03/1068488203.db2.gz HSUUXHBYFHFULC-UHFFFAOYSA-N 0 0 381.520 3.967 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)c2cnnn2-c2cc(Cl)ccc2Cl)c1 ZINC001470258426 1068650058 /nfs/dbraw/zinc/65/00/58/1068650058.db2.gz UIJHHEFDYRWUBD-UHFFFAOYSA-N 0 0 377.231 3.518 20 10 GHCDRN COCCCOc1cccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1C ZINC001360848202 1068660411 /nfs/dbraw/zinc/66/04/11/1068660411.db2.gz MZYKJAMYBPXXCG-UHFFFAOYSA-N 0 0 384.476 3.516 20 10 GHCDRN CC(C)C[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)CC(=O)OC(C)(C)C ZINC001470381585 1068712477 /nfs/dbraw/zinc/71/24/77/1068712477.db2.gz GMDHLRPJUSGLHN-GQSKFBFOSA-N 0 0 377.481 3.621 20 10 GHCDRN CCOC(=O)c1ccccc1NC(=O)CN(CC1CC1)c1ccc(OC)cc1 ZINC001460126733 1068797100 /nfs/dbraw/zinc/79/71/00/1068797100.db2.gz IGRFUZISEKLXRD-UHFFFAOYSA-N 0 0 382.460 3.727 20 10 GHCDRN CC(C)Cc1ccc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC001460741811 1069147372 /nfs/dbraw/zinc/14/73/72/1069147372.db2.gz QROWCQPCOQWHEV-UHFFFAOYSA-N 0 0 388.458 3.930 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@@]1(c2ccccc2)CCCO1 ZINC001470555942 1072623364 /nfs/dbraw/zinc/62/33/64/1072623364.db2.gz JNAUXHSUWSFDRI-NTKDMRAZSA-N 0 0 395.547 3.997 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N(C)Cc3c(C)cccc3C)C2)cc1 ZINC001470594582 1072639521 /nfs/dbraw/zinc/63/95/21/1072639521.db2.gz VBTOEYVYTQRDPW-IBGZPJMESA-N 0 0 381.520 3.980 20 10 GHCDRN CC(=O)NC[C@@H]1CCCCN1C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC001470789077 1072741228 /nfs/dbraw/zinc/74/12/28/1072741228.db2.gz BSQCABSDHIYNGN-IBGZPJMESA-N 0 0 387.911 3.878 20 10 GHCDRN Cc1cc(CNC(=O)c2cnn3c2nc(C)cc3C)c(C)n1-c1cccc(C)c1 ZINC001471012995 1072882901 /nfs/dbraw/zinc/88/29/01/1072882901.db2.gz LHPLRBDXHYYFBH-UHFFFAOYSA-N 0 0 387.487 3.992 20 10 GHCDRN Cc1cc(CNC(=O)CNC(=O)CCC2CCCC2)c(C)n1-c1ccccc1 ZINC001471017150 1072885523 /nfs/dbraw/zinc/88/55/23/1072885523.db2.gz GJUSRFJPMYDFHS-UHFFFAOYSA-N 0 0 381.520 3.797 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC1([C@H](O)c2ccccc2)CC1 ZINC001478841481 1079000926 /nfs/dbraw/zinc/00/09/26/1079000926.db2.gz XBBPGXMHKJHNON-XMSQKQJNSA-N 0 0 395.547 3.805 20 10 GHCDRN C[C@@H](NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1ccccc1O ZINC001471195696 1072961915 /nfs/dbraw/zinc/96/19/15/1072961915.db2.gz LQOASQYUBLTZGH-CYBMUJFWSA-N 0 0 377.400 3.998 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1CSc2ccccc2O1 ZINC001478881160 1079012322 /nfs/dbraw/zinc/01/23/22/1079012322.db2.gz ULHTVQPJILJZKA-LJQANCHMSA-N 0 0 397.544 3.982 20 10 GHCDRN COc1cc(C(=O)N2Cc3cccc(O)c3C2)ccc1OCc1cscn1 ZINC001471355725 1073036273 /nfs/dbraw/zinc/03/62/73/1073036273.db2.gz SLTIZNWXMUHFGA-UHFFFAOYSA-N 0 0 382.441 3.592 20 10 GHCDRN CONC(=O)C1CCN(C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)CC1 ZINC001471715854 1073193710 /nfs/dbraw/zinc/19/37/10/1073193710.db2.gz PUUWJOBYDJWNEY-UHFFFAOYSA-N 0 0 397.519 3.747 20 10 GHCDRN O=C(NCc1c(O)cccc1F)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC001471975938 1073288697 /nfs/dbraw/zinc/28/86/97/1073288697.db2.gz NKNWIQMIZKXIII-UHFFFAOYSA-N 0 0 379.313 3.666 20 10 GHCDRN COc1cccc([C@@H](CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)OC)c1 ZINC001479025840 1079070090 /nfs/dbraw/zinc/07/00/90/1079070090.db2.gz UMQLVZWMTVXZIS-JOCHJYFZSA-N 0 0 397.519 3.825 20 10 GHCDRN O=C(CCCNC(=O)c1ccc(F)cc1F)NCc1c(O)ccc2ccccc21 ZINC001472086228 1073329258 /nfs/dbraw/zinc/32/92/58/1073329258.db2.gz QWOHMEKULATWJX-UHFFFAOYSA-N 0 0 398.409 3.650 20 10 GHCDRN Cc1cc(CCNC(=O)N2CC[C@H](c3noc(C)n3)C2)c(C)n1-c1ccccc1 ZINC001479064249 1079088963 /nfs/dbraw/zinc/08/89/63/1079088963.db2.gz OLRNDFPIMFTXDL-IBGZPJMESA-N 0 0 393.491 3.527 20 10 GHCDRN O=C(N[C@H]1CSc2ccc(Br)cc21)c1c(F)ccc(O)c1O ZINC001472554735 1073549453 /nfs/dbraw/zinc/54/94/53/1073549453.db2.gz UIVJCFPEJJBLMY-JTQLQIEISA-N 0 0 384.226 3.576 20 10 GHCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@H](c3nc4c(s3)CCC4)C2)cc1OC ZINC001472880068 1073709318 /nfs/dbraw/zinc/70/93/18/1073709318.db2.gz RREUBRUGBCVYNM-LBPRGKRZSA-N 0 0 389.477 3.941 20 10 GHCDRN Cc1cccnc1SCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001473040036 1073758167 /nfs/dbraw/zinc/75/81/67/1073758167.db2.gz IBLXYNPZLORMGT-UHFFFAOYSA-N 0 0 388.448 3.896 20 10 GHCDRN CCOC(=O)c1ccccc1NC(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001473116255 1073787607 /nfs/dbraw/zinc/78/76/07/1073787607.db2.gz XPEMATRUHGLGJW-UHFFFAOYSA-N 0 0 395.503 3.532 20 10 GHCDRN O=C(CN(Cc1cccs1)c1ccc2c(c1)OCCO2)Nc1ccccn1 ZINC001473225256 1073873632 /nfs/dbraw/zinc/87/36/32/1073873632.db2.gz MEFQDUFHKSNMGR-UHFFFAOYSA-N 0 0 381.457 3.560 20 10 GHCDRN COC(=O)COc1ccc(N(C)Cc2cccc(Br)c2C)cc1 ZINC001473372820 1073938908 /nfs/dbraw/zinc/93/89/08/1073938908.db2.gz GUDFJNQKYJBJQW-UHFFFAOYSA-N 0 0 378.266 3.946 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNCc3ccn(-c4ccccc4)n3)cc2F)C[C@@H](C)O1 ZINC001473940864 1074212937 /nfs/dbraw/zinc/21/29/37/1074212937.db2.gz QOSZGZNIUJJRPY-QZTJIDSGSA-N 0 0 394.494 3.915 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001479575087 1079232945 /nfs/dbraw/zinc/23/29/45/1079232945.db2.gz BIHIXRUGOKBGFL-INIZCTEOSA-N 0 0 391.512 3.571 20 10 GHCDRN COc1ccc(NCc2ccc(N3CCN(C)CC3)c(F)c2)c2cccnc12 ZINC001474058930 1074250622 /nfs/dbraw/zinc/25/06/22/1074250622.db2.gz ZBSZIHMMDGHMEH-UHFFFAOYSA-N 0 0 380.467 3.746 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]Cc1ccccc1Cn1ccnc1 ZINC001474168634 1074281755 /nfs/dbraw/zinc/28/17/55/1074281755.db2.gz DWJRFYVONBPFON-UHFFFAOYSA-N 0 0 390.256 3.828 20 10 GHCDRN CC(C)[C@H](C[NH2+]Cc1cc(Br)cc(F)c1[O-])C(=O)OC(C)(C)C ZINC001474194695 1074289403 /nfs/dbraw/zinc/28/94/03/1074289403.db2.gz YBXNRSABSYLGBJ-ZDUSSCGKSA-N 0 0 390.293 3.997 20 10 GHCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCCOC2)c1 ZINC001474203759 1074292988 /nfs/dbraw/zinc/29/29/88/1074292988.db2.gz OXLYVHIRCZORFH-LJQANCHMSA-N 0 0 376.840 3.835 20 10 GHCDRN COC(=O)[C@](C)(C[NH2+]Cc1cc(Br)cc(F)c1[O-])c1ccccc1 ZINC001474447048 1074410055 /nfs/dbraw/zinc/41/00/55/1074410055.db2.gz URXMGPJSJFCNSK-GOSISDBHSA-N 0 0 396.256 3.514 20 10 GHCDRN CNC(=O)CN(Cc1ccccc1)Cc1ccc(OCc2ccccc2)cc1O ZINC001474676217 1074509123 /nfs/dbraw/zinc/50/91/23/1074509123.db2.gz KQIPCYVLFYQEAF-UHFFFAOYSA-N 0 0 390.483 3.719 20 10 GHCDRN CCOc1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)cc1 ZINC001475010199 1074682004 /nfs/dbraw/zinc/68/20/04/1074682004.db2.gz DTWAXVQMTSUHKH-UHFFFAOYSA-N 0 0 375.490 3.924 20 10 GHCDRN C[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC001494157588 1079322353 /nfs/dbraw/zinc/32/23/53/1079322353.db2.gz TYFXLXOJVCMJCP-ROUUACIJSA-N 0 0 397.567 3.553 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC001475402662 1074862008 /nfs/dbraw/zinc/86/20/08/1074862008.db2.gz GJKBFYVDPCYOAB-CQSZACIVSA-N 0 0 389.496 3.591 20 10 GHCDRN COc1ccc(N(C)CCN(C)S(=O)(=O)c2c(C)cc(Cl)cc2C)cc1 ZINC001475460074 1074882283 /nfs/dbraw/zinc/88/22/83/1074882283.db2.gz WHODJRYZBLUMML-UHFFFAOYSA-N 0 0 396.940 3.722 20 10 GHCDRN CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1Cc1ncccc1N(C)C ZINC001495137510 1079385063 /nfs/dbraw/zinc/38/50/63/1079385063.db2.gz POLHSHPRCONPFN-MRXNPFEDSA-N 0 0 394.523 3.643 20 10 GHCDRN CC[C@H](C)c1nnc(N2CCC(CO)CC2)n1CCCSc1nccs1 ZINC001495451690 1079409220 /nfs/dbraw/zinc/40/92/20/1079409220.db2.gz SYPPYYHZMXQIGU-AWEZNQCLSA-N 0 0 395.598 3.639 20 10 GHCDRN Cc1cc(C(=O)N(CC(C)C)C2CC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737226834 598933717 /nfs/dbraw/zinc/93/37/17/598933717.db2.gz FKDKVIGBEAHRRK-UHFFFAOYSA-N 0 0 378.480 3.535 20 10 GHCDRN 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/nfs/dbraw/zinc/71/04/78/599710478.db2.gz TWFLUFMVJTYDDL-UHFFFAOYSA-N 0 0 394.475 3.561 20 10 GHCDRN C[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(-c3nn[nH]n3)s2)SC1=S ZINC000820570777 606393236 /nfs/dbraw/zinc/39/32/36/606393236.db2.gz RDQNGZMNVSDINH-ADVUTCEVSA-N 0 0 399.526 3.891 20 10 GHCDRN CCOc1ccc(C(C)=O)cc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000178059071 837707278 /nfs/dbraw/zinc/70/72/78/837707278.db2.gz VMCSEWRWDQGVPK-UHFFFAOYSA-N 0 0 382.504 3.757 20 10 GHCDRN COc1cc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)cc2c1OCO2 ZINC000211632848 837749154 /nfs/dbraw/zinc/74/91/54/837749154.db2.gz CYDJRPUATAIRNE-OVCLIPMQSA-N 0 0 389.429 3.969 20 10 GHCDRN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000136374816 834519984 /nfs/dbraw/zinc/51/99/84/834519984.db2.gz KGJCEKMSCXLYBO-VGSWGCGISA-N 0 0 377.488 3.596 20 10 GHCDRN [O-]c1c(Br)cccc1C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000278322016 834653320 /nfs/dbraw/zinc/65/33/20/834653320.db2.gz GFTJGWLODSBWBO-UHFFFAOYSA-N 0 0 381.236 3.661 20 10 GHCDRN 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CN(C)c1ccc(/N=N/c2ccccc2C(=O)N2CC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000279563913 843137706 /nfs/dbraw/zinc/13/77/06/843137706.db2.gz QKDLGWKLSGGJHG-GJQPQMNHSA-N 0 0 391.475 3.520 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N[C@H]3CCc4cc(F)ccc43)CC2)cc1 ZINC000171069379 861385496 /nfs/dbraw/zinc/38/54/96/861385496.db2.gz IOEYTQMAKWOLHJ-NRFANRHFSA-N 0 0 383.467 3.790 20 10 GHCDRN Cc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(C)c1 ZINC000128561356 861387524 /nfs/dbraw/zinc/38/75/24/861387524.db2.gz QLYKKHIPNGQGOM-UHFFFAOYSA-N 0 0 379.504 3.891 20 10 GHCDRN CC[C@H](CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)c1ccccc1 ZINC000785383488 843264397 /nfs/dbraw/zinc/26/43/97/843264397.db2.gz AGNJNKSZUBQVBW-HXUWFJFHSA-N 0 0 395.547 3.800 20 10 GHCDRN COc1ccc(-c2nc(CC(=O)N(C)Cc3ccccc3O)cs2)cc1OC ZINC000053914696 843268232 /nfs/dbraw/zinc/26/82/32/843268232.db2.gz RIHWORRTQMMXHO-UHFFFAOYSA-N 0 0 398.484 3.734 20 10 GHCDRN CC(C)C(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000731015593 861408212 /nfs/dbraw/zinc/40/82/12/861408212.db2.gz XOFCOKLCMFCXBW-OAQYLSRUSA-N 0 0 385.552 3.576 20 10 GHCDRN COc1cccc(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1F ZINC000800223157 843537822 /nfs/dbraw/zinc/53/78/22/843537822.db2.gz SUTNAIREQOBJNZ-GJZGRUSLSA-N 0 0 376.447 3.877 20 10 GHCDRN CCn1c(CNC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)n[nH]c1=S ZINC000067050768 843781729 /nfs/dbraw/zinc/78/17/29/843781729.db2.gz UEAGETBDKLLLEX-UHFFFAOYSA-N 0 0 389.912 3.952 20 10 GHCDRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NCc2cc(C)cc(OC)c2O)c1 ZINC000894132872 843876082 /nfs/dbraw/zinc/87/60/82/843876082.db2.gz QQBBEIJBJGPVHF-HNNXBMFYSA-N 0 0 392.521 3.539 20 10 GHCDRN COc1cc(CCC(=O)NCCc2ccc(N)cc2)ccc1OCC(F)(F)F ZINC000237317810 843928913 /nfs/dbraw/zinc/92/89/13/843928913.db2.gz GFQVJEDHPSCKHC-UHFFFAOYSA-N 0 0 396.409 3.510 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccnc(OCc3ccccc3)c2)c1 ZINC000728981812 844666199 /nfs/dbraw/zinc/66/61/99/844666199.db2.gz DYFBNWSJSQMWNS-OAHLLOKOSA-N 0 0 378.428 3.866 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cn2c3ccccc3nc2C(F)(F)F)c1 ZINC000728980960 844666531 /nfs/dbraw/zinc/66/65/31/844666531.db2.gz QWBGVBOUEFZHDL-LLVKDONJSA-N 0 0 393.365 3.647 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1 ZINC000729037767 844693972 /nfs/dbraw/zinc/69/39/72/844693972.db2.gz QBYBXCLCKRDGQD-CYBMUJFWSA-N 0 0 385.464 3.812 20 10 GHCDRN Cc1cc(N(C)C)ccc1CN1C(=O)[C@H](c2cc(F)c(F)c(F)c2)N(C)C1=O ZINC000761355130 861516345 /nfs/dbraw/zinc/51/63/45/861516345.db2.gz LIDNQNGYVMKOBX-SFHVURJKSA-N 0 0 391.393 3.614 20 10 GHCDRN Cn1cc(C(=O)N2CCOc3cc(Cl)c(Cl)cc32)c(-c2cccnc2)n1 ZINC000684642541 845230792 /nfs/dbraw/zinc/23/07/92/845230792.db2.gz BBBMEUOEWMPIQG-UHFFFAOYSA-N 0 0 389.242 3.828 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc2cc(Cl)ccc2[nH]1 ZINC000098093844 845261660 /nfs/dbraw/zinc/26/16/60/845261660.db2.gz GXOQFFKMOZCFMO-UHFFFAOYSA-N 0 0 397.906 3.960 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Cc1sc(C)nc1C ZINC000896757387 861575782 /nfs/dbraw/zinc/57/57/82/861575782.db2.gz ADKVOVFTWMGWDJ-UHFFFAOYSA-N 0 0 383.311 3.819 20 10 GHCDRN Cc1cc(C(=O)N2CCSC[C@H]2C)c(C)n1-c1ccc(Br)cn1 ZINC000843804835 861576706 /nfs/dbraw/zinc/57/67/06/861576706.db2.gz LETSEXAMQSNZEU-GFCCVEGCSA-N 0 0 394.338 3.829 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2cccc(Cn3ccnc3)c2)cc1F ZINC000731345846 861580437 /nfs/dbraw/zinc/58/04/37/861580437.db2.gz LLQNWDSNSDVQDK-UHFFFAOYSA-N 0 0 380.467 3.847 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)Nc3ccc(C(C)=O)c(C)c3)CC2)cc1 ZINC000119680580 845837945 /nfs/dbraw/zinc/83/79/45/845837945.db2.gz WGAJBCCGISXCEG-UHFFFAOYSA-N 0 0 381.476 3.997 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccc(-n3cccn3)nc2)cc1F ZINC000731403250 861611566 /nfs/dbraw/zinc/61/15/66/861611566.db2.gz ULDSGOQVCUQYLU-UHFFFAOYSA-N 0 0 382.443 3.574 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2Cl)cc1F ZINC000731409020 861613944 /nfs/dbraw/zinc/61/39/44/861613944.db2.gz IKWVRHMPQZMPTC-UHFFFAOYSA-N 0 0 395.837 3.719 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H]1CSCCN1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000760015775 846205203 /nfs/dbraw/zinc/20/52/03/846205203.db2.gz HHROXRLBIZUMMU-CRAIPNDOSA-N 0 0 387.505 3.569 20 10 GHCDRN C[C@@H]([NH2+]C[C@H]1CSCCN1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000760015780 846205360 /nfs/dbraw/zinc/20/53/60/846205360.db2.gz HHROXRLBIZUMMU-QAPCUYQASA-N 0 0 387.505 3.569 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCc1ccccc1N ZINC000280004765 846255649 /nfs/dbraw/zinc/25/56/49/846255649.db2.gz VONZMXILRBEDEU-UHFFFAOYSA-N 0 0 377.282 3.718 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(NC(=O)OC(C)(C)C)n1 ZINC000280601057 846458687 /nfs/dbraw/zinc/45/86/87/846458687.db2.gz JIHSGMISSSYCLC-UHFFFAOYSA-N 0 0 398.463 3.534 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000119916040 846490010 /nfs/dbraw/zinc/49/00/10/846490010.db2.gz KESWJCPGKDWAIY-DNVCBOLYSA-N 0 0 376.547 3.940 20 10 GHCDRN COc1ccc(C(=O)CCC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000061406522 861690895 /nfs/dbraw/zinc/69/08/95/861690895.db2.gz RGSIFJRZVNUZKC-UHFFFAOYSA-N 0 0 398.528 3.528 20 10 GHCDRN COCCN(C(=O)NCc1c(C)c2ccccc2n1C)[C@H]1CCCSC1 ZINC000472219981 846919030 /nfs/dbraw/zinc/91/90/30/846919030.db2.gz KASRXKKKEAVERC-INIZCTEOSA-N 0 0 375.538 3.540 20 10 GHCDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)Cc1ccccc1O ZINC000171167732 861741899 /nfs/dbraw/zinc/74/18/99/861741899.db2.gz XJFMNFWCBCESRT-UHFFFAOYSA-N 0 0 395.415 3.848 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCC(c4cc(C)n[nH]4)CC3)ccc21 ZINC000272220781 847019911 /nfs/dbraw/zinc/01/99/11/847019911.db2.gz KLTGVAKBGPFOKL-UHFFFAOYSA-N 0 0 394.519 3.956 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(CCC(F)(F)F)c1 ZINC000272967871 847217732 /nfs/dbraw/zinc/21/77/32/847217732.db2.gz URMKFEAQBHZZPK-UHFFFAOYSA-N 0 0 382.430 3.952 20 10 GHCDRN Cc1ccc(C(=O)N2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c(O)c1O ZINC000273056672 847240812 /nfs/dbraw/zinc/24/08/12/847240812.db2.gz XMRPINKEUWQOBG-HNNXBMFYSA-N 0 0 384.480 3.592 20 10 GHCDRN COC(=O)c1ccc(CN(C)C(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000472225705 847268123 /nfs/dbraw/zinc/26/81/23/847268123.db2.gz UPFWEVCSMIOLLH-UHFFFAOYSA-N 0 0 379.460 3.615 20 10 GHCDRN Cc1ncsc1/C=C\C(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000588519326 847272101 /nfs/dbraw/zinc/27/21/01/847272101.db2.gz LJSJXEOXCIBSAE-QWGSZXSUSA-N 0 0 381.501 3.608 20 10 GHCDRN COc1ccccc1-c1noc([C@@H](C)NCc2cc(F)cc(C(C)=O)c2O)n1 ZINC000273425631 847334746 /nfs/dbraw/zinc/33/47/46/847334746.db2.gz WJPYXJVVRXCYLB-LLVKDONJSA-N 0 0 385.395 3.643 20 10 GHCDRN COCCOC(=O)Nc1cccc(N[C@H](C)c2cc(C(=O)OC)ccc2O)c1 ZINC000273511741 847359723 /nfs/dbraw/zinc/35/97/23/847359723.db2.gz RWEGUKQXDOFFQX-CYBMUJFWSA-N 0 0 388.420 3.547 20 10 GHCDRN CC(C)c1nc2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3)cc2s1 ZINC000065554773 847539237 /nfs/dbraw/zinc/53/92/37/847539237.db2.gz JWXXBRRIZBASCL-UHFFFAOYSA-N 0 0 396.516 3.741 20 10 GHCDRN O=C(CN1CCC[C@@]12CCOC2=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588527681 847653123 /nfs/dbraw/zinc/65/31/23/847653123.db2.gz NBEVIECNAVUOSQ-NRFANRHFSA-N 0 0 378.432 3.822 20 10 GHCDRN CCN(C[C@@H]1COc2ccccc2O1)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472231785 847675944 /nfs/dbraw/zinc/67/59/44/847675944.db2.gz KKNPLUGFDHTVAG-QGZVFWFLSA-N 0 0 393.487 3.858 20 10 GHCDRN Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000065561337 847713373 /nfs/dbraw/zinc/71/33/73/847713373.db2.gz DJGZDSNXXBYPMS-ZDUSSCGKSA-N 0 0 393.409 3.736 20 10 GHCDRN COc1cccc(CNC(=O)NC2(C(F)(F)F)CCC(F)(F)CC2)c1O ZINC000934552996 847787930 /nfs/dbraw/zinc/78/79/30/847787930.db2.gz VUWITPZKEYWZKO-UHFFFAOYSA-N 0 0 382.329 3.710 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)/C=C\c1cccc(O)c1 ZINC000588536793 847843040 /nfs/dbraw/zinc/84/30/40/847843040.db2.gz PDTCAMWJACTQPE-TWGQIWQCSA-N 0 0 376.250 3.922 20 10 GHCDRN Cc1c2ccccc2n(C)c1CN[C@H](C(N)=O)c1cccc(Br)c1 ZINC000481615393 861859648 /nfs/dbraw/zinc/85/96/48/861859648.db2.gz XFLJCADTFNBBNE-SFHVURJKSA-N 0 0 386.293 3.565 20 10 GHCDRN CCn1cc(N2C(=O)/C(=C\c3ccc(OC)c(Cl)c3)SC2=S)cn1 ZINC000255524178 848089438 /nfs/dbraw/zinc/08/94/38/848089438.db2.gz LZZOSBAASRDFOI-VGOFMYFVSA-N 0 0 379.894 3.971 20 10 GHCDRN COc1cccc(CNC(=O)N[C@H](c2cccc(C)c2)c2ccccn2)c1O ZINC000153093452 848112303 /nfs/dbraw/zinc/11/23/03/848112303.db2.gz SGFRQWMANFBMKG-HXUWFJFHSA-N 0 0 377.444 3.693 20 10 GHCDRN COc1ccc2cc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)[nH]c2c1 ZINC000731857918 861912045 /nfs/dbraw/zinc/91/20/45/861912045.db2.gz GJNDWVYQCCCUIG-SFHVURJKSA-N 0 0 380.444 3.704 20 10 GHCDRN O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)C1=CC(=O)CS1 ZINC000731872268 861923483 /nfs/dbraw/zinc/92/34/83/861923483.db2.gz BGONNZRDIIAJFZ-UHFFFAOYSA-N 0 0 376.441 3.631 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(CS(C)(=O)=O)cc1 ZINC000282454907 861949654 /nfs/dbraw/zinc/94/96/54/861949654.db2.gz JPIDNYCAGVUGKR-UHFFFAOYSA-N 0 0 390.505 3.771 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)NC[C@H]3CSCCS3)cc2)CC1 ZINC000176504704 849302733 /nfs/dbraw/zinc/30/27/33/849302733.db2.gz KNJUCFTYBUWQAO-SFHVURJKSA-N 0 0 379.595 3.571 20 10 GHCDRN CC(=O)c1ccc2c(c1)CCN(C(=O)NCc1c(C)c3ccccc3n1C)CC2 ZINC000472283107 849416158 /nfs/dbraw/zinc/41/61/58/849416158.db2.gz QFZSYTLSHPDVOK-UHFFFAOYSA-N 0 0 389.499 4.000 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(F)ccc1OC(F)F ZINC000125735618 849574250 /nfs/dbraw/zinc/57/42/50/849574250.db2.gz QNIDAXGSCOFJFG-UHFFFAOYSA-N 0 0 396.365 3.510 20 10 GHCDRN CC[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)cc1 ZINC000125993107 849631182 /nfs/dbraw/zinc/63/11/82/849631182.db2.gz SVIGSWDDHDRUDO-IBGZPJMESA-N 0 0 388.458 3.736 20 10 GHCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cc(C)n(C)n2)cc1 ZINC000732115139 862075175 /nfs/dbraw/zinc/07/51/75/862075175.db2.gz SXYVOBKEKQZOHV-UHFFFAOYSA-N 0 0 378.476 3.650 20 10 GHCDRN Cc1c([C@@H](C)NC(=O)NCc2ccc(N(C)C)cc2)cnn1-c1ccc(F)cc1 ZINC000031730512 851076769 /nfs/dbraw/zinc/07/67/69/851076769.db2.gz APMORHUKOHVECC-OAHLLOKOSA-N 0 0 395.482 3.946 20 10 GHCDRN 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COc1ccc(-n2c(C)cc(C(=O)NCc3ccc([S@@](C)=O)cc3)c2C)cc1 ZINC000176446794 877540804 /nfs/dbraw/zinc/54/08/04/877540804.db2.gz QNRLFSLGWMPSCT-MUUNZHRXSA-N 0 0 396.512 3.770 20 10 GHCDRN Cc1cc(C(=O)NCc2nc(-c3cccc(F)c3)no2)c(C)n1-c1ccccn1 ZINC000787724196 877589013 /nfs/dbraw/zinc/58/90/13/877589013.db2.gz XHMOHDDMCCTXSH-UHFFFAOYSA-N 0 0 391.406 3.608 20 10 GHCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(Br)c([N+](=O)[O-])c1 ZINC000192751637 877619646 /nfs/dbraw/zinc/61/96/46/877619646.db2.gz FTOLDXBILPDZMZ-UKTHLTGXSA-N 0 0 396.266 3.814 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1ccc2[nH]ccc2c1 ZINC000179620333 877782397 /nfs/dbraw/zinc/78/23/97/877782397.db2.gz JOEVNVDPMFIFLK-UHFFFAOYSA-N 0 0 377.488 3.596 20 10 GHCDRN CN(Cc1ccccc1O)S(=O)(=O)/C=C\c1ccccc1Br ZINC000751234857 877822371 /nfs/dbraw/zinc/82/23/71/877822371.db2.gz ARRKMQGAIDPZSP-KHPPLWFESA-N 0 0 382.279 3.587 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2cnn(Cc3ccccn3)c2)cc1 ZINC000746725793 877826882 /nfs/dbraw/zinc/82/68/82/877826882.db2.gz KQVBJFWBFFYNSV-UHFFFAOYSA-N 0 0 392.507 3.837 20 10 GHCDRN Cc1ccc(C(=O)CCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000109190348 877902031 /nfs/dbraw/zinc/90/20/31/877902031.db2.gz QIGPQQJBKXGUIR-GOSISDBHSA-N 0 0 380.488 3.672 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCCCC1CCCC1 ZINC000788225301 877930852 /nfs/dbraw/zinc/93/08/52/877930852.db2.gz QGBQGQZDCIQAJU-UHFFFAOYSA-N 0 0 385.552 3.722 20 10 GHCDRN CC(=O)OC[C@@H](C(=O)NCc1cc(Cl)c2cccnc2c1O)c1ccccc1 ZINC001183110865 912292232 /nfs/dbraw/zinc/29/22/32/912292232.db2.gz GZNNBYVUOOWIKE-QGZVFWFLSA-N 0 0 398.846 3.557 20 10 GHCDRN COC(=O)COc1ccc(N(C)Cc2ncc(Br)cc2Cl)cc1 ZINC000851922629 877977232 /nfs/dbraw/zinc/97/72/32/877977232.db2.gz BWYNSPXAZPISKM-UHFFFAOYSA-N 0 0 399.672 3.686 20 10 GHCDRN CC1(C)CC(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 ZINC000851993804 878022141 /nfs/dbraw/zinc/02/21/41/878022141.db2.gz VAMPVHHXINLLRD-UHFFFAOYSA-N 0 0 385.430 3.530 20 10 GHCDRN CC[C@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1OC ZINC000852088800 878070769 /nfs/dbraw/zinc/07/07/69/878070769.db2.gz OICMJTPXNRUWDG-JXFKEZNVSA-N 0 0 383.492 3.733 20 10 GHCDRN CC[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1OC ZINC000852089204 878071431 /nfs/dbraw/zinc/07/14/31/878071431.db2.gz LSMNDSMXTQTHEM-OAQYLSRUSA-N 0 0 397.519 3.607 20 10 GHCDRN Cc1cc(C(=O)N2CCC(C3OCCO3)CC2)c(C)n1-c1cccc(Cl)c1 ZINC000110409395 878089787 /nfs/dbraw/zinc/08/97/87/878089787.db2.gz RCCSLNPXEHTFBO-UHFFFAOYSA-N 0 0 388.895 3.973 20 10 GHCDRN COc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2C(C)=O)cc1C(C)C ZINC000788490942 878098786 /nfs/dbraw/zinc/09/87/86/878098786.db2.gz BOFBPIDMQZYNJZ-UHFFFAOYSA-N 0 0 377.462 3.836 20 10 GHCDRN Oc1cc2c(cc1CN1CCCC[C@H]1c1nnc(C3CCOCC3)o1)CCC2 ZINC000795675527 912315678 /nfs/dbraw/zinc/31/56/78/912315678.db2.gz WSLSYQRGQOZEDP-IBGZPJMESA-N 0 0 383.492 3.885 20 10 GHCDRN Cc1cc(C(=O)CN(C)Cc2c[nH]cn2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000852287562 878199937 /nfs/dbraw/zinc/19/99/37/878199937.db2.gz ZXAWIMCXIJDZRZ-UHFFFAOYSA-N 0 0 388.418 3.733 20 10 GHCDRN Nc1ccc(CC(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000237883069 878217360 /nfs/dbraw/zinc/21/73/60/878217360.db2.gz COUOBZQZXWQNQP-KRWDZBQOSA-N 0 0 392.286 3.748 20 10 GHCDRN O=C(N[C@H]1CCCc2occc21)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000788623366 878217693 /nfs/dbraw/zinc/21/76/93/878217693.db2.gz FECWTIFLMQRIHB-IBGZPJMESA-N 0 0 396.487 3.840 20 10 GHCDRN CCN(C(=O)NCc1ccc(N(C)C)c(F)c1)[C@H](COC)Cc1ccccc1 ZINC000746756642 878244058 /nfs/dbraw/zinc/24/40/58/878244058.db2.gz ZMPRVNYABCEZNF-IBGZPJMESA-N 0 0 387.499 3.681 20 10 GHCDRN Cc1ccccc1[C@@H](CO)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000746759541 878271171 /nfs/dbraw/zinc/27/11/71/878271171.db2.gz HKQYCBORVAZITP-JOCHJYFZSA-N 0 0 381.520 3.764 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)Nc3cc([C@H]4CCCO4)nn3C)cc2)CC1 ZINC000788727530 878280331 /nfs/dbraw/zinc/28/03/31/878280331.db2.gz VDQVZCNIKAIWCI-HXUWFJFHSA-N 0 0 397.523 3.830 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000852385130 878292024 /nfs/dbraw/zinc/29/20/24/878292024.db2.gz KQXIDSCQKBRHMJ-YSZBQJHXSA-N 0 0 385.552 3.594 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC([C@@H]2CCCCO2)CC1 ZINC000852384570 878292055 /nfs/dbraw/zinc/29/20/55/878292055.db2.gz DUIDDWAMDNOSRR-GCJKJVERSA-N 0 0 387.568 3.983 20 10 GHCDRN CCOC(=O)c1csc(CC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])n1 ZINC000788756996 878292373 /nfs/dbraw/zinc/29/23/73/878292373.db2.gz KMTLZUUYKILFLM-SNVBAGLBSA-N 0 0 388.411 3.938 20 10 GHCDRN COc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)ccc1Cl ZINC000788762436 878299751 /nfs/dbraw/zinc/29/97/51/878299751.db2.gz QYQSMUDFTXSMFH-UHFFFAOYSA-N 0 0 375.856 3.507 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3cccc4c3OCC4(C)C)CC2)cc1 ZINC000788740383 878314541 /nfs/dbraw/zinc/31/45/41/878314541.db2.gz CRADEGNKWQLIJZ-UHFFFAOYSA-N 0 0 380.488 3.764 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N3CC4(CCC4)[C@@H]3c3ccco3)C2)cc1 ZINC000852447770 878328666 /nfs/dbraw/zinc/32/86/66/878328666.db2.gz DVFKDKXJCRUFGU-JXFKEZNVSA-N 0 0 381.476 3.804 20 10 GHCDRN COC[C@@H](Cc1ccccc1)N(C)C(=O)NCCCSc1nccs1 ZINC000788811266 878334841 /nfs/dbraw/zinc/33/48/41/878334841.db2.gz BTKKAVLMHJJFIW-MRXNPFEDSA-N 0 0 379.551 3.524 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000788826599 878361060 /nfs/dbraw/zinc/36/10/60/878361060.db2.gz GAIXFEGYWQUCBZ-GOSISDBHSA-N 0 0 398.503 3.862 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccc2occc2c1 ZINC000852489519 878371893 /nfs/dbraw/zinc/37/18/93/878371893.db2.gz DQZBFFIKOQSQBD-UHFFFAOYSA-N 0 0 379.460 3.611 20 10 GHCDRN O=C(NCC(F)(F)c1ccccc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000788846111 878380624 /nfs/dbraw/zinc/38/06/24/878380624.db2.gz JYVBTVCIQSIXAS-SFHVURJKSA-N 0 0 390.430 3.875 20 10 GHCDRN O=S(=O)(NCc1ccc(N2CCCCC2)cc1)C1=Cc2ccccc2OC1 ZINC000788890392 878411476 /nfs/dbraw/zinc/41/14/76/878411476.db2.gz LNWMEMYHQVREPL-UHFFFAOYSA-N 0 0 384.501 3.530 20 10 GHCDRN O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000852565800 878427464 /nfs/dbraw/zinc/42/74/64/878427464.db2.gz QMLJUPJUTPFXDB-YZVOILCLSA-N 0 0 393.478 3.992 20 10 GHCDRN COc1cc(O)c([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1OC ZINC000180064832 878462272 /nfs/dbraw/zinc/46/22/72/878462272.db2.gz KDGIFIVYXLPUOY-HXUWFJFHSA-N 0 0 380.400 3.769 20 10 GHCDRN Cc1cc(C)c(N2CC[C@H]([NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3[O-])C2=O)c(C)c1 ZINC000788986077 878495582 /nfs/dbraw/zinc/49/55/82/878495582.db2.gz ZEPCJDFHRMRWGI-YJBOKZPZSA-N 0 0 383.448 3.682 20 10 GHCDRN Cc1ccc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c(F)c1Cl ZINC000789064469 878575818 /nfs/dbraw/zinc/57/58/18/878575818.db2.gz VJNZZDUSLSTLKF-UHFFFAOYSA-N 0 0 392.858 3.669 20 10 GHCDRN C[C@@H](NC(=O)c1cc(-c2ccccc2)on1)c1ccc(N2CCOCC2)cc1 ZINC000068513003 878656336 /nfs/dbraw/zinc/65/63/36/878656336.db2.gz OYCFDJBBBXHUMI-MRXNPFEDSA-N 0 0 377.444 3.669 20 10 GHCDRN COc1ccc(CC(=O)OCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)nc1 ZINC000789178592 878702551 /nfs/dbraw/zinc/70/25/51/878702551.db2.gz ZRLSVTPWIKOFOD-UHFFFAOYSA-N 0 0 396.418 3.605 20 10 GHCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@@H](O)c1ccccn1 ZINC000853060847 878781949 /nfs/dbraw/zinc/78/19/49/878781949.db2.gz KZAZGNWYQRHOLY-QGZVFWFLSA-N 0 0 383.473 3.562 20 10 GHCDRN Cc1cc(-n2cccn2)ccc1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000789332753 878865459 /nfs/dbraw/zinc/86/54/59/878865459.db2.gz YPJFUNLESXHWPC-UHFFFAOYSA-N 0 0 375.476 3.885 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](c3ccco3)c3ccccc3)C2)cc1 ZINC000853249151 878931828 /nfs/dbraw/zinc/93/18/28/878931828.db2.gz NUNMJUZEZAQVAA-PGRDOPGGSA-N 0 0 391.471 3.956 20 10 GHCDRN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000746813622 878934393 /nfs/dbraw/zinc/93/43/93/878934393.db2.gz WDSRUVRNYIHRCL-YWZLYKJASA-N 0 0 377.488 3.594 20 10 GHCDRN CN(CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)Cc1ccccc1O ZINC000111236008 878958811 /nfs/dbraw/zinc/95/88/11/878958811.db2.gz JRJZWTZAHFXRMI-UHFFFAOYSA-N 0 0 385.464 3.649 20 10 GHCDRN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000746813076 878977409 /nfs/dbraw/zinc/97/74/09/878977409.db2.gz PRXBBCPQEBUDTL-MGPUTAFESA-N 0 0 377.488 3.594 20 10 GHCDRN COc1cc(O)c(CN2CCc3ccc(Br)cc3C2)cc1OC ZINC000789467358 878998503 /nfs/dbraw/zinc/99/85/03/878998503.db2.gz GJWZQRBTZYJORC-UHFFFAOYSA-N 0 0 378.266 3.730 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N3CCC(c4ccco4)CC3)CC2)cc1 ZINC000853643577 879200276 /nfs/dbraw/zinc/20/02/76/879200276.db2.gz YGBYZQAOVLNNMX-UHFFFAOYSA-N 0 0 383.492 3.846 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1ccc2c(c1)S(=O)(=O)N=C2Cl ZINC000853692144 879225469 /nfs/dbraw/zinc/22/54/69/879225469.db2.gz QIGRULYFEYCHFK-ZDUSSCGKSA-N 0 0 391.924 3.792 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000789755711 879236093 /nfs/dbraw/zinc/23/60/93/879236093.db2.gz BDTLBRLUFJTBDZ-UHFFFAOYSA-N 0 0 398.478 3.508 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](c1cccs1)C1(CO)CCC1 ZINC000853749429 879261113 /nfs/dbraw/zinc/26/11/13/879261113.db2.gz RWSRJBDOOGTEHN-IBGZPJMESA-N 0 0 387.549 3.826 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CCCc3cn(C4CCCC4)nc32)cc1 ZINC000763484217 879270974 /nfs/dbraw/zinc/27/09/74/879270974.db2.gz IZDZUKLOSOQDOZ-FQEVSTJZSA-N 0 0 381.524 3.941 20 10 GHCDRN Cc1cc(C(=O)CSCCO[C@@H]2CC2(F)F)c(C)n1-c1ccc(F)cn1 ZINC000853787413 879285172 /nfs/dbraw/zinc/28/51/72/879285172.db2.gz PRWBJUUILFLDAP-MRXNPFEDSA-N 0 0 384.423 3.968 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccn(Cc4ccccc4)c3C)CC2)cc1 ZINC001127277192 879286386 /nfs/dbraw/zinc/28/63/86/879286386.db2.gz VVODMAFSPMZBJF-UHFFFAOYSA-N 0 0 389.499 3.816 20 10 GHCDRN CCOc1ccc(O)c(CN2CCN(C(=O)c3cc4ccccc4s3)CC2)c1 ZINC000789773401 879288283 /nfs/dbraw/zinc/28/82/83/879288283.db2.gz HTRGTILJEHMGTG-UHFFFAOYSA-N 0 0 396.512 3.964 20 10 GHCDRN COc1ccc(N2CCN(C(=O)CCc3ccccc3C(F)(F)F)CC2)cc1 ZINC001127277238 879289935 /nfs/dbraw/zinc/28/99/35/879289935.db2.gz XPWOWPCUPCNPFP-UHFFFAOYSA-N 0 0 392.421 3.995 20 10 GHCDRN COC[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1ccc(F)c(F)c1 ZINC000180783391 879319689 /nfs/dbraw/zinc/31/96/89/879319689.db2.gz QDAPODZPGHVZGG-IBGZPJMESA-N 0 0 389.446 3.534 20 10 GHCDRN COc1ccccc1OCCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000789865324 879323509 /nfs/dbraw/zinc/32/35/09/879323509.db2.gz HFHXULWBNXIMEA-UHFFFAOYSA-N 0 0 397.519 3.906 20 10 GHCDRN C[C@H](CCc1ccc(Br)cc1)NC(=O)c1c(F)ccc(O)c1O ZINC000789965828 879369129 /nfs/dbraw/zinc/36/91/29/879369129.db2.gz FDJQITSPFLCADV-SNVBAGLBSA-N 0 0 382.229 3.751 20 10 GHCDRN OC1CCN(c2ccc(CNc3ncc(F)c(-c4ccsc4)n3)cc2)CC1 ZINC000853956897 879399665 /nfs/dbraw/zinc/39/96/65/879399665.db2.gz GCAHBEBWYWTKCR-UHFFFAOYSA-N 0 0 384.480 3.917 20 10 GHCDRN Cc1c(Br)ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1F ZINC000790023280 879408571 /nfs/dbraw/zinc/40/85/71/879408571.db2.gz OAADDNWVKIXBBJ-VIFPVBQESA-N 0 0 382.229 3.669 20 10 GHCDRN Cc1c(Br)ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1F ZINC000790023279 879408615 /nfs/dbraw/zinc/40/86/15/879408615.db2.gz OAADDNWVKIXBBJ-SECBINFHSA-N 0 0 382.229 3.669 20 10 GHCDRN COc1cc([C@@H](C)NC(=O)c2c(F)ccc(O)c2O)ccc1OCC(C)C ZINC000790068863 879413742 /nfs/dbraw/zinc/41/37/42/879413742.db2.gz GOTUPDWCCXKQGH-GFCCVEGCSA-N 0 0 377.412 3.771 20 10 GHCDRN CC1(C)COc2c1cccc2C(=O)NCc1cccc(Br)c1O ZINC000790065818 879439539 /nfs/dbraw/zinc/43/95/39/879439539.db2.gz WBWHLXUGSSUEFB-UHFFFAOYSA-N 0 0 376.250 3.755 20 10 GHCDRN CCN(C)c1ccc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)cn1 ZINC000790106362 879441118 /nfs/dbraw/zinc/44/11/18/879441118.db2.gz FDOLBDXSCIICAI-BOPFTXTBSA-N 0 0 399.541 3.948 20 10 GHCDRN COc1cc(/C=C2/SC(=S)N(c3ccsc3)C2=O)cc2c1OCCO2 ZINC000790111177 879446201 /nfs/dbraw/zinc/44/62/01/879446201.db2.gz PUZLRGZNVJXKRL-RIYZIHGNSA-N 0 0 391.495 3.934 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N3C[C@@H](C)C(O)[C@H](C)C3)cc2Cl)C1 ZINC000854040142 879467515 /nfs/dbraw/zinc/46/75/15/879467515.db2.gz SCPGPLLCISLYGD-BZUAXINKSA-N 0 0 393.959 3.735 20 10 GHCDRN C[C@H]1CCC[N@H+](Cc2cc(Br)cc(Br)c2[O-])[C@@H]1CO ZINC001203565211 912465274 /nfs/dbraw/zinc/46/52/74/912465274.db2.gz WMERWMXRGZTOJX-TVQRCGJNSA-N 0 0 393.119 3.510 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)c1 ZINC000170900749 879572530 /nfs/dbraw/zinc/57/25/30/879572530.db2.gz BKKWHBXDGBMRGI-IRXDYDNUSA-N 0 0 396.487 3.556 20 10 GHCDRN CCc1ccc([C@@H]2CN(C(=O)NCc3ccc(N(C)C)c(F)c3)CCO2)cc1 ZINC000790261098 879577405 /nfs/dbraw/zinc/57/74/05/879577405.db2.gz IVMQPELEVWVBLS-NRFANRHFSA-N 0 0 385.483 3.737 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNS(=O)(=O)CCC(F)(F)F)cc2Cl)C1 ZINC000790333260 879635521 /nfs/dbraw/zinc/63/55/21/879635521.db2.gz SKWFJDQFLXYOMK-LBPRGKRZSA-N 0 0 398.878 3.948 20 10 GHCDRN CCCOc1nc(C)ccc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000790514427 879785668 /nfs/dbraw/zinc/78/56/68/879785668.db2.gz UPXMCTRKBJROIJ-QGZVFWFLSA-N 0 0 383.492 3.506 20 10 GHCDRN Cc1cc(CC(=O)N2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c(C)n1-c1ccccc1 ZINC000854422014 879802403 /nfs/dbraw/zinc/80/24/03/879802403.db2.gz MXLGDWMSILLMDK-PKOBYXMFSA-N 0 0 394.437 3.656 20 10 GHCDRN O=C(NCCCSc1nccs1)Nc1ccc(-c2csnn2)cc1 ZINC000152845493 879820793 /nfs/dbraw/zinc/82/07/93/879820793.db2.gz UJRBDZZVIISCNZ-UHFFFAOYSA-N 0 0 377.520 3.966 20 10 GHCDRN NC(=O)CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)cc2)SC1=S ZINC000790591262 879847828 /nfs/dbraw/zinc/84/78/28/879847828.db2.gz PTAISGPFXPYAII-OQLLNIDSSA-N 0 0 388.901 3.694 20 10 GHCDRN COc1ccc(C[C@@H](NC(=O)c2cccc(O)c2O)c2ccccc2)cc1OC ZINC000790631167 879868984 /nfs/dbraw/zinc/86/89/84/879868984.db2.gz KAMMCLWVRKLNAF-GOSISDBHSA-N 0 0 393.439 3.829 20 10 GHCDRN O=S(=O)(Nc1ccc(O)cc1)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000776745707 879875973 /nfs/dbraw/zinc/87/59/73/879875973.db2.gz ZCEVPXLVCUAHJE-UHFFFAOYSA-N 0 0 393.358 3.610 20 10 GHCDRN O=C1/C(=C\c2ccnn2-c2ccccc2)SC(=S)N1CCc1cccnc1 ZINC000790627231 879893410 /nfs/dbraw/zinc/89/34/10/879893410.db2.gz HBZJVAAUEYHOGJ-QGOAFFKASA-N 0 0 392.509 3.711 20 10 GHCDRN COc1c(NCc2ccc(N(C)C)c(F)c2)cc(Cl)cc1C(=O)N(C)C ZINC000790651157 879915831 /nfs/dbraw/zinc/91/58/31/879915831.db2.gz CSEQOZDPXAHTAF-UHFFFAOYSA-N 0 0 379.863 3.868 20 10 GHCDRN 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GHCDRN COc1ccc(N2CCC(NC(=O)NC3(c4ccc(F)cc4)CC3)CC2)cc1 ZINC000729612421 886256172 /nfs/dbraw/zinc/25/61/72/886256172.db2.gz WNMCZGPEKAAKII-UHFFFAOYSA-N 0 0 383.467 3.792 20 10 GHCDRN Cc1cc(CC(=O)N2CC[S@@](=O)C[C@@H](C)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000762539811 886357177 /nfs/dbraw/zinc/35/71/77/886357177.db2.gz SBTZFXGZWICXEI-RMKBEBRYSA-N 0 0 392.952 3.517 20 10 GHCDRN O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cccc(Br)c3[O-])c2c1 ZINC000808452801 886364861 /nfs/dbraw/zinc/36/48/61/886364861.db2.gz QWVSFYFFSIRELF-UHFFFAOYSA-N 0 0 390.237 3.877 20 10 GHCDRN Cc1cc(C(=O)N2CC[S@@](=O)C[C@H](C)C2)c(C)n1-c1cccc(Cl)c1 ZINC000762548566 886372152 /nfs/dbraw/zinc/37/21/52/886372152.db2.gz QSFKAHLAQBMKKF-YMXBGEKHSA-N 0 0 378.925 3.588 20 10 GHCDRN CCc1nc2cc(NC(=O)NCc3ccc(N4CCOCC4)cc3)ccc2o1 ZINC000919790105 886372831 /nfs/dbraw/zinc/37/28/31/886372831.db2.gz GRFBAPVZHMNHRJ-UHFFFAOYSA-N 0 0 380.448 3.549 20 10 GHCDRN C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000118954414 886394268 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Fc1cc(CNc2cccc(-c3n[nH]c(C4CC4)n3)c2)ccc1N1CCOCC1 ZINC000119379505 886993912 /nfs/dbraw/zinc/99/39/12/886993912.db2.gz HCJQASWAKOJQTL-UHFFFAOYSA-N 0 0 393.466 3.937 20 10 GHCDRN CCO[C@@H](C)C(=O)OCC(=O)c1cc(C)n(-c2cccc(SC)c2)c1C ZINC000915504009 887119459 /nfs/dbraw/zinc/11/94/59/887119459.db2.gz GGHHVPJBTMQENO-HNNXBMFYSA-N 0 0 375.490 3.967 20 10 GHCDRN CCOCCN(C(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCc2ccccc21 ZINC000863505348 887157244 /nfs/dbraw/zinc/15/72/44/887157244.db2.gz KKWBVJHGPWJAFD-QFIPXVFZSA-N 0 0 381.520 3.988 20 10 GHCDRN Cc1cc(C(=O)COC(=O)CCOC[C@H]2CCCO2)c(C)n1-c1ccc(C)cc1 ZINC000915540602 887162127 /nfs/dbraw/zinc/16/21/27/887162127.db2.gz QUQOVYIHTVMIAD-HXUWFJFHSA-N 0 0 399.487 3.714 20 10 GHCDRN C[C@H](CCC1CC1)NC(=O)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000809189776 887181624 /nfs/dbraw/zinc/18/16/24/887181624.db2.gz RCSVDWGSNCDQBB-QGZVFWFLSA-N 0 0 397.519 3.569 20 10 GHCDRN CN(CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1ccc(N)cc1 ZINC000863556668 887210202 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CC(C)([NH2+]Cc1cccc(Br)c1[O-])c1cn(-c2ccccc2)nn1 ZINC000154018126 889049572 /nfs/dbraw/zinc/04/95/72/889049572.db2.gz IXCPXAPEWNIDGE-UHFFFAOYSA-N 0 0 387.281 3.760 20 10 GHCDRN Cc1ccc(NC(=O)CN(C)c2ccc3c(c2)OCO3)c(Br)c1 ZINC000121240679 889049865 /nfs/dbraw/zinc/04/98/65/889049865.db2.gz PIBIFKGUWYLQKY-UHFFFAOYSA-N 0 0 377.238 3.561 20 10 GHCDRN CN1C(=O)/C(=C/c2cn3cc(Cl)ccc3n2)c2cc(Br)cnc21 ZINC000794959184 889066373 /nfs/dbraw/zinc/06/63/73/889066373.db2.gz XXBFDOPNLYSZKH-WLRTZDKTSA-N 0 0 389.640 3.662 20 10 GHCDRN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000916503009 889075944 /nfs/dbraw/zinc/07/59/44/889075944.db2.gz ZEXSXBPORRSPSN-GCJKJVERSA-N 0 0 395.547 3.994 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)COc2cccc(Br)c2)cc1 ZINC000916502368 889076396 /nfs/dbraw/zinc/07/63/96/889076396.db2.gz APRGKJLIPSKRKX-UHFFFAOYSA-N 0 0 391.309 3.991 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCc1cn2c(n1)CCCC2 ZINC000916578610 889157215 /nfs/dbraw/zinc/15/72/15/889157215.db2.gz 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Cc1cc(C(=O)NC2=NCCS2)c(C)n1-c1ccc(Br)cc1 ZINC000122998086 890254426 /nfs/dbraw/zinc/25/44/26/890254426.db2.gz GHHDGVPNRQPJQZ-UHFFFAOYSA-N 0 0 378.295 3.689 20 10 GHCDRN COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@H]1C ZINC000812064838 890302300 /nfs/dbraw/zinc/30/23/00/890302300.db2.gz ZAEUBJPWROLYHV-INIZCTEOSA-N 0 0 379.508 3.988 20 10 GHCDRN COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC=CCC1 ZINC000812162389 890351327 /nfs/dbraw/zinc/35/13/27/890351327.db2.gz OPFOAVLFIGDMLO-UHFFFAOYSA-N 0 0 377.492 3.765 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)NC[C@](C)(O)c3cccs3)cc2)CC1 ZINC000154223004 890415824 /nfs/dbraw/zinc/41/58/24/890415824.db2.gz USBHWQNHFAUKRH-NRFANRHFSA-N 0 0 387.549 3.691 20 10 GHCDRN Oc1ccccc1CN(Cc1nc(-c2ccc(F)cc2)no1)C[C@@H]1CCCO1 ZINC000123499189 890656748 /nfs/dbraw/zinc/65/67/48/890656748.db2.gz JYHBBNUFSPZZGX-SFHVURJKSA-N 0 0 383.423 3.763 20 10 GHCDRN O=C(c1ccccc1)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871201477 890692704 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Cc1ccc(S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1Cl ZINC000751137766 928044129 /nfs/dbraw/zinc/04/41/29/928044129.db2.gz WSYGWQFDUGDWJR-INIZCTEOSA-N 0 0 395.908 3.724 20 10 GHCDRN O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751302806 928119113 /nfs/dbraw/zinc/11/91/13/928119113.db2.gz RLJQFDMSEBETRI-KRWDZBQOSA-N 0 0 384.395 3.637 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)c1 ZINC000751319477 928132160 /nfs/dbraw/zinc/13/21/60/928132160.db2.gz XOWXDSFEKBSMEG-CYBMUJFWSA-N 0 0 391.489 3.669 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000751326311 928137165 /nfs/dbraw/zinc/13/71/65/928137165.db2.gz OFYKDUKQTNXZQA-SECBINFHSA-N 0 0 376.261 3.747 20 10 GHCDRN COC(=O)[C@H](NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)c1cccs1 ZINC000751396099 928169514 /nfs/dbraw/zinc/16/95/14/928169514.db2.gz IACCKFAHHRCHDV-GOSISDBHSA-N 0 0 386.448 3.939 20 10 GHCDRN Cc1cc(C)n([C@@H](C)CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)n1 ZINC000751404915 928173579 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COc1ccc(O)c(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)c1 ZINC000751999097 928541259 /nfs/dbraw/zinc/54/12/59/928541259.db2.gz BNYRQZGMHKQBHK-UHFFFAOYSA-N 0 0 395.786 3.552 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)COc1ccc2c(C)cc(=O)oc2c1 ZINC000752653197 928954842 /nfs/dbraw/zinc/95/48/42/928954842.db2.gz LJZKSKNJZLZIAO-UHFFFAOYSA-N 0 0 394.471 3.595 20 10 GHCDRN COc1ccc(N2CCN(C(=O)CSCCCCC(F)(F)F)CC2)cc1 ZINC000752810374 929034842 /nfs/dbraw/zinc/03/48/42/929034842.db2.gz FVMRDJOSLDYSKO-UHFFFAOYSA-N 0 0 390.471 3.810 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)NCc1c(F)c(F)cc(F)c1F ZINC000752863405 929059781 /nfs/dbraw/zinc/05/97/81/929059781.db2.gz LPBBFSMYEIGMRB-UHFFFAOYSA-N 0 0 381.373 3.843 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000752869409 929064682 /nfs/dbraw/zinc/06/46/82/929064682.db2.gz ZRKPWZHIPJLDMJ-UHFFFAOYSA-N 0 0 385.458 3.949 20 10 GHCDRN Cc1cc(C(=O)Cn2cnc3snc(C)c3c2=O)c(C)n1-c1cccc(F)c1 ZINC000752880878 929072902 /nfs/dbraw/zinc/07/29/02/929072902.db2.gz 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/nfs/dbraw/zinc/52/77/57/1023527757.db2.gz QXDOZZVRTGKSBP-QUCCMNQESA-N 0 0 395.503 3.637 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2CCO[C@H](c3ccnn3C)C2)c(C)n1-c1ccccc1C ZINC000836976206 1023537271 /nfs/dbraw/zinc/53/72/71/1023537271.db2.gz XDFDSXHZMFLBER-GCJKJVERSA-N 0 0 392.503 3.786 20 10 GHCDRN O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)N[C@H]1CCCc2ccccc21 ZINC000756327911 1023592320 /nfs/dbraw/zinc/59/23/20/1023592320.db2.gz VGEAZQYKXYLQCT-IRLDBZIGSA-N 0 0 394.515 3.567 20 10 GHCDRN C[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)c1cc(Br)cc(F)c1[O-] ZINC000756350774 1023601253 /nfs/dbraw/zinc/60/12/53/1023601253.db2.gz FTKVVEBBSNHHEE-PWSUYJOCSA-N 0 0 382.229 3.784 20 10 GHCDRN C[C@H]([NH2+]CCCNc1ccc(C(F)(F)F)cn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756399704 1023628342 /nfs/dbraw/zinc/62/83/42/1023628342.db2.gz FQNTZNJJSYMPEZ-NSHDSACASA-N 0 0 384.358 3.867 20 10 GHCDRN C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1cc(F)cc(F)c1[O-] ZINC000756417105 1023637870 /nfs/dbraw/zinc/63/78/70/1023637870.db2.gz PHVOJJFXBAFASR-MGPQQGTHSA-N 0 0 377.435 3.530 20 10 GHCDRN CCOc1cccnc1C(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000756427693 1023643873 /nfs/dbraw/zinc/64/38/73/1023643873.db2.gz JQHKEWRSSYNKLL-UHFFFAOYSA-N 0 0 378.428 3.928 20 10 GHCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1cc(F)cc(F)c1[O-] ZINC000756430229 1023643941 /nfs/dbraw/zinc/64/39/41/1023643941.db2.gz JXEBGKMSPGRTOJ-QWHCGFSZSA-N 0 0 390.430 3.740 20 10 GHCDRN Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])c1 ZINC000756460394 1023664006 /nfs/dbraw/zinc/66/40/06/1023664006.db2.gz PPJZNDQSXUIFCS-GFCCVEGCSA-N 0 0 395.272 3.683 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000756468736 1023669752 /nfs/dbraw/zinc/66/97/52/1023669752.db2.gz FVOUXJGSFWKUIN-CQSZACIVSA-N 0 0 394.427 3.875 20 10 GHCDRN CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756469779 1023670418 /nfs/dbraw/zinc/67/04/18/1023670418.db2.gz JQXCFJVCJSDFKS-CYBMUJFWSA-N 0 0 398.475 3.552 20 10 GHCDRN COC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000756525302 1023697287 /nfs/dbraw/zinc/69/72/87/1023697287.db2.gz AYDVVFOVYGUVJJ-ONGXEEELSA-N 0 0 391.693 3.690 20 10 GHCDRN CC(C)[C@@H](CCO)[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000756606888 1023735492 /nfs/dbraw/zinc/73/54/92/1023735492.db2.gz FHSSVFPEMXUIAN-NOZJJQNGSA-N 0 0 395.135 3.975 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCNc2ncc(Cl)cc2Cl)c1 ZINC000756611389 1023736771 /nfs/dbraw/zinc/73/67/71/1023736771.db2.gz VWAQHNUVBZKPDV-JTQLQIEISA-N 0 0 384.263 3.643 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](c2ccc(Cl)cc2)N(C)C)c1 ZINC000756629612 1023745311 /nfs/dbraw/zinc/74/53/11/1023745311.db2.gz QMQKMEOYDNQALO-SCLBCKFNSA-N 0 0 376.884 3.786 20 10 GHCDRN C[C@H](NCc1csc(CNC(=O)c2ccccc2)n1)c1ccc(F)cc1O ZINC000756643560 1023751386 /nfs/dbraw/zinc/75/13/86/1023751386.db2.gz VXEBXRFJWWHFQZ-ZDUSSCGKSA-N 0 0 385.464 3.769 20 10 GHCDRN CN(CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000756654668 1023756437 /nfs/dbraw/zinc/75/64/37/1023756437.db2.gz XBNRXXPQOHXETQ-OAQYLSRUSA-N 0 0 398.459 3.958 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccccc2-n2nc(C)cc2C)c1 ZINC000756655519 1023756503 /nfs/dbraw/zinc/75/65/03/1023756503.db2.gz QJTDZEFZTAVMNX-INIZCTEOSA-N 0 0 379.460 3.832 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1cc(Br)c(F)cc1[O-] ZINC000756757086 1023802510 /nfs/dbraw/zinc/80/25/10/1023802510.db2.gz BRMGPQQLNLTSGY-LYOVBCGYSA-N 0 0 390.318 3.999 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756778637 1023813124 /nfs/dbraw/zinc/81/31/24/1023813124.db2.gz OEZHXBRYPDAXMP-MGPLVRAMSA-N 0 0 393.802 3.549 20 10 GHCDRN COc1cc(Cl)cc(CN2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC001204915807 1033164257 /nfs/dbraw/zinc/16/42/57/1033164257.db2.gz MBOPHLMULXJFED-STQMWFEESA-N 0 0 384.904 3.884 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCc2nc(-c3ccccc3)ncc2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756819021 1023826949 /nfs/dbraw/zinc/82/69/49/1023826949.db2.gz BCWOBGPQHUDPRK-WMLDXEAASA-N 0 0 390.443 3.966 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)/C=C/C=C(Cl)Cl)cc2F)C[C@@H](C)O1 ZINC001626159265 1023932884 /nfs/dbraw/zinc/93/28/84/1023932884.db2.gz VOIFXJDKHPZBNC-UXOHQCDBSA-N 0 0 387.282 3.931 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@H]([C@H](O)C(F)(F)F)C2)c(C)n1-c1cccc(C)c1 ZINC000837037414 1023971887 /nfs/dbraw/zinc/97/18/87/1023971887.db2.gz KYLOXDCELKVDQK-YJBOKZPZSA-N 0 0 380.410 3.788 20 10 GHCDRN Cc1nc(CN2CCCC23CC[NH+](Cc2cccc(F)c2[O-])CC3)cs1 ZINC001138125473 1024169092 /nfs/dbraw/zinc/16/90/92/1024169092.db2.gz QDVJMKAZFQBFAH-UHFFFAOYSA-N 0 0 375.513 3.927 20 10 GHCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001138126919 1024173045 /nfs/dbraw/zinc/17/30/45/1024173045.db2.gz MQBWRTBLPPGXTO-WIYYLYMNSA-N 0 0 390.430 3.516 20 10 GHCDRN CCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1cccc(F)c1[O-])CC2 ZINC001138126879 1024173497 /nfs/dbraw/zinc/17/34/97/1024173497.db2.gz LIUZBIFOWICVNS-IBGZPJMESA-N 0 0 382.479 3.902 20 10 GHCDRN CC[C@@H](C)c1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1CC1CC1 ZINC000830831037 1024175781 /nfs/dbraw/zinc/17/57/81/1024175781.db2.gz GMCXNQIIIDJBFY-QGZVFWFLSA-N 0 0 383.540 3.927 20 10 GHCDRN CCOC(=O)c1cc2cc(N3CC[NH+](Cc4cccc(F)c4[O-])CC3)ccc2o1 ZINC001138129401 1024179709 /nfs/dbraw/zinc/17/97/09/1024179709.db2.gz BCERUHLTTVWOBE-UHFFFAOYSA-N 0 0 398.434 3.776 20 10 GHCDRN Cc1c(CN2CCn3c(Cc4ccc(F)cc4)nnc3C2)c2ccccc2n1C ZINC001138257974 1024485678 /nfs/dbraw/zinc/48/56/78/1024485678.db2.gz FYZXWMRXQPBKAZ-UHFFFAOYSA-N 0 0 389.478 3.824 20 10 GHCDRN CCC1(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)CCOCC1 ZINC000837619997 1024591577 /nfs/dbraw/zinc/59/15/77/1024591577.db2.gz RXKBDMWKHWZROP-UHFFFAOYSA-N 0 0 388.439 3.561 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@H]2CCCCS2)c(C)n1-c1ccc(F)cn1 ZINC000837627226 1024595904 /nfs/dbraw/zinc/59/59/04/1024595904.db2.gz TVWXJTAFUYANNV-QGZVFWFLSA-N 0 0 376.453 3.640 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2coc(C3CCC3)n2)c(C)n1-c1ccc(F)cn1 ZINC000837672205 1024623836 /nfs/dbraw/zinc/62/38/36/1024623836.db2.gz GCAWQURNVGEFGI-UHFFFAOYSA-N 0 0 397.406 3.923 20 10 GHCDRN Cc1ccccc1SCC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837705954 1024648872 /nfs/dbraw/zinc/64/88/72/1024648872.db2.gz SXWLSNXYGSUVGA-UHFFFAOYSA-N 0 0 392.471 3.518 20 10 GHCDRN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837706627 1024649267 /nfs/dbraw/zinc/64/92/67/1024649267.db2.gz HBIUHCDAYIKGFH-CABCVRRESA-N 0 0 392.471 3.591 20 10 GHCDRN Cc1ccc2cccc(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)c2n1 ZINC000837709749 1024655062 /nfs/dbraw/zinc/65/50/62/1024655062.db2.gz POZXIYBUKYLRIJ-UHFFFAOYSA-N 0 0 397.425 3.588 20 10 GHCDRN CSc1cccc(F)c1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837715746 1024659790 /nfs/dbraw/zinc/65/97/90/1024659790.db2.gz VPOBPAHBVGKLRE-UHFFFAOYSA-N 0 0 396.434 3.592 20 10 GHCDRN Cc1ccc2c(c1)CCN2C(=O)c1c[nH]nc1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000831663655 1024715200 /nfs/dbraw/zinc/71/52/00/1024715200.db2.gz LUUSUXBKLHDTFP-INIZCTEOSA-N 0 0 396.491 3.645 20 10 GHCDRN CC(C)COC[C@@H]1CN(Cc2ccc3c(c2)CCCN3C)Cc2ncn(C)c21 ZINC001138355162 1024718083 /nfs/dbraw/zinc/71/80/83/1024718083.db2.gz JVUHRMBJDZQOCR-FQEVSTJZSA-N 0 0 382.552 3.575 20 10 GHCDRN CN1CCCc2cc(CN3CCc4onc(COc5cccnc5)c4C3)ccc21 ZINC001138357805 1024723012 /nfs/dbraw/zinc/72/30/12/1024723012.db2.gz KZVNGDXRCHFVQJ-UHFFFAOYSA-N 0 0 390.487 3.589 20 10 GHCDRN C[C@H](CCCc1cccnc1)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000837882494 1024778675 /nfs/dbraw/zinc/77/86/75/1024778675.db2.gz OSNYPRDRZMIYCL-MOPGFXCFSA-N 0 0 396.535 3.690 20 10 GHCDRN Cc1ccccc1C[NH+]1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001205087575 1033244304 /nfs/dbraw/zinc/24/43/04/1033244304.db2.gz CYZKLPJYHHXRPS-UHFFFAOYSA-N 0 0 393.300 3.920 20 10 GHCDRN COC[C@]1(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCOC1 ZINC000838258354 1025027985 /nfs/dbraw/zinc/02/79/85/1025027985.db2.gz HBGRKDOBMUQUHG-OAQYLSRUSA-N 0 0 397.431 3.637 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1ncn(-c2ccccc2)n1 ZINC001141458934 1025115369 /nfs/dbraw/zinc/11/53/69/1025115369.db2.gz DIGSYKJEAPOILB-UHFFFAOYSA-N 0 0 385.471 3.913 20 10 GHCDRN Cc1ccccc1-c1nc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)no1 ZINC000838557410 1025207745 /nfs/dbraw/zinc/20/77/45/1025207745.db2.gz AXJNNMHJBMMPAK-OAHLLOKOSA-N 0 0 379.464 3.671 20 10 GHCDRN CC[C@@H](COCC(F)(F)F)NC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000838638581 1025254989 /nfs/dbraw/zinc/25/49/89/1025254989.db2.gz YSVOQVDOESPIPN-HNNXBMFYSA-N 0 0 375.435 3.642 20 10 GHCDRN CCOC(=O)[C@@]1(COC)CCCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001138733282 1025266785 /nfs/dbraw/zinc/26/67/85/1025266785.db2.gz NBGCZALDXLNSKL-QHCPKHFHSA-N 0 0 398.503 3.526 20 10 GHCDRN Cn1cc(Cl)c(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)n1 ZINC000838663180 1025275766 /nfs/dbraw/zinc/27/57/66/1025275766.db2.gz QBDAAFRNLPPSKC-UHFFFAOYSA-N 0 0 376.888 3.824 20 10 GHCDRN C[C@]1(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1(Cl)Cl ZINC000838668690 1025279647 /nfs/dbraw/zinc/27/96/47/1025279647.db2.gz OSXBHVYHOOAKMX-RHSMWYFYSA-N 0 0 387.307 3.667 20 10 GHCDRN CCc1ncc(CNC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)o1 ZINC000838699251 1025307801 /nfs/dbraw/zinc/30/78/01/1025307801.db2.gz ZBAJPLAXRHPLQQ-UHFFFAOYSA-N 0 0 382.464 3.808 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)C/C(C)=C/c1ccccc1 ZINC000839220689 1025737671 /nfs/dbraw/zinc/73/76/71/1025737671.db2.gz NLIUYFSYMMXOAN-KNTRCKAVSA-N 0 0 393.531 3.663 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)COc1ccc(C(C)C)c(C)c1 ZINC001162540141 1025785336 /nfs/dbraw/zinc/78/53/36/1025785336.db2.gz QQVLIFSGPJLRGP-UHFFFAOYSA-N 0 0 399.487 3.795 20 10 GHCDRN CCNC(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])cc1 ZINC001461044699 1069356438 /nfs/dbraw/zinc/35/64/38/1069356438.db2.gz OINGGXBJJNRGIC-UHFFFAOYSA-N 0 0 397.700 3.848 20 10 GHCDRN COc1cccc(O[C@H]2CCC[N@H+](Cc3c([O-])ccc4c(C)cc(=O)oc43)C2)c1 ZINC001139129363 1025941505 /nfs/dbraw/zinc/94/15/05/1025941505.db2.gz XFIOVKGDYYJBBH-SFHVURJKSA-N 0 0 395.455 3.859 20 10 GHCDRN CC(=O)C1(c2ccccc2)CC[NH+](Cc2c([O-])ccc3c(C)cc(=O)oc32)CC1 ZINC001139129386 1025942044 /nfs/dbraw/zinc/94/20/44/1025942044.db2.gz XTQZQVCOGURMOP-UHFFFAOYSA-N 0 0 391.467 3.930 20 10 GHCDRN Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3c([O-])ccc4c(C)cc(=O)oc43)C2)c1 ZINC001139133850 1025946700 /nfs/dbraw/zinc/94/67/00/1025946700.db2.gz TZSAQJJHANPCMA-MRXNPFEDSA-N 0 0 380.444 3.554 20 10 GHCDRN C[C@@H](NCc1nc2ccc(Cl)cc2c(=O)[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000839541825 1026034475 /nfs/dbraw/zinc/03/44/75/1026034475.db2.gz NCJRROYPNSEQHK-CQSZACIVSA-N 0 0 398.894 3.676 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)Nc1cccc2ccsc21 ZINC000839633311 1026138107 /nfs/dbraw/zinc/13/81/07/1026138107.db2.gz HEYQHQIDCUWNHI-OAHLLOKOSA-N 0 0 395.528 3.962 20 10 GHCDRN COc1ccc2ncc([N+](=O)[O-])c(N[C@H](C)Cc3ccc(N(C)C)cc3C)c2c1 ZINC001163522934 1026223607 /nfs/dbraw/zinc/22/36/07/1026223607.db2.gz HPRYKFLKUICMLS-OAHLLOKOSA-N 0 0 394.475 3.991 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001163523577 1026223616 /nfs/dbraw/zinc/22/36/16/1026223616.db2.gz 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CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+](Cc3c(F)ccc(F)c3[O-])C2)C1 ZINC001139681462 1026535605 /nfs/dbraw/zinc/53/56/05/1026535605.db2.gz RGXMPXPJTCTMKY-HXUWFJFHSA-N 0 0 382.451 3.893 20 10 GHCDRN O=C(c1ccsc1)N1CCC[C@@]2(CC[N@@H+](Cc3c(F)ccc(F)c3[O-])C2)C1 ZINC001139681665 1026536065 /nfs/dbraw/zinc/53/60/65/1026536065.db2.gz ASRIMANJOCKMNH-FQEVSTJZSA-N 0 0 392.471 3.860 20 10 GHCDRN CN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139685040 1026538966 /nfs/dbraw/zinc/53/89/66/1026538966.db2.gz UHIDBVVEGJTRPU-MRXNPFEDSA-N 0 0 386.442 3.651 20 10 GHCDRN O=C(NC[C@H]1CCCN(c2ccccc2)C1)c1cc2cc(O)c(O)cc2s1 ZINC001139842005 1026659796 /nfs/dbraw/zinc/65/97/96/1026659796.db2.gz OCGVQFCFIPIGTP-CQSZACIVSA-N 0 0 382.485 3.959 20 10 GHCDRN O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)Nc1cnccn1 ZINC001165445252 1026728855 /nfs/dbraw/zinc/72/88/55/1026728855.db2.gz HMFKAKHUDZEZSR-UHFFFAOYSA-N 0 0 391.456 3.712 20 10 GHCDRN Oc1ccc(F)cc1CN1Cc2c(cnn2CC2CC2)[C@H](COCC2CC2)C1 ZINC001140053954 1026832623 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O=[N+]([O-])c1cc(Cl)cc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)c1[O-] ZINC000725846833 1048232203 /nfs/dbraw/zinc/23/22/03/1048232203.db2.gz UUYBMSBFZPGMIV-UHFFFAOYSA-N 0 0 398.850 3.918 20 10 GHCDRN FC(F)(F)COc1ccc(NNC(=S)Nc2ccc3c(c2)OCCO3)cc1 ZINC000727291738 1048235823 /nfs/dbraw/zinc/23/58/23/1048235823.db2.gz UVVRKEBQSQOYHM-UHFFFAOYSA-N 0 0 399.394 3.712 20 10 GHCDRN CCOC(=O)/C=C\c1ccc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000729035582 1048243709 /nfs/dbraw/zinc/24/37/09/1048243709.db2.gz HQJMCEREVIINDG-VDBIKXPHSA-N 0 0 384.432 3.860 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000729034877 1048243929 /nfs/dbraw/zinc/24/39/29/1048243929.db2.gz CJBGBCZXTMBQAI-SECBINFHSA-N 0 0 397.334 3.793 20 10 GHCDRN CCc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CC1(CC)CC1 ZINC001306077991 1048395269 /nfs/dbraw/zinc/39/52/69/1048395269.db2.gz GZOQGOTVPQTYNY-UHFFFAOYSA-N 0 0 383.540 3.504 20 10 GHCDRN CCc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CC1CC(C)(C)C1 ZINC001306078566 1048396158 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GHCDRN COc1cc(CN(C(=O)NCc2ccc(N)cc2)C2CC2)ccc1OC(F)F ZINC001338797020 1058792190 /nfs/dbraw/zinc/79/21/90/1058792190.db2.gz CEEXNXGQXHGAPD-UHFFFAOYSA-N 0 0 391.418 3.753 20 10 GHCDRN CC(C)c1nnsc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001338876285 1058848355 /nfs/dbraw/zinc/84/83/55/1058848355.db2.gz FIJQANGSDNCBNH-LBPRGKRZSA-N 0 0 396.463 3.662 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc2sccc2c(O)c1 ZINC001441783416 1058862560 /nfs/dbraw/zinc/86/25/60/1058862560.db2.gz DCPHGBYGUDVQPE-UHFFFAOYSA-N 0 0 386.448 3.513 20 10 GHCDRN Cc1cc(Br)ccc1CC(=O)NCc1ccc2c(c1)CCCN2C ZINC001442387514 1058955155 /nfs/dbraw/zinc/95/51/55/1058955155.db2.gz QPWGBVQQVDVJOR-UHFFFAOYSA-N 0 0 387.321 3.999 20 10 GHCDRN CC(C)n1cc(Br)c(C(=O)NCc2ccc3c(c2)CCCN3C)n1 ZINC001442386828 1058955328 /nfs/dbraw/zinc/95/53/28/1058955328.db2.gz MOXYWENSPISVFW-UHFFFAOYSA-N 0 0 391.313 3.539 20 10 GHCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCCCN2Cc2cccc(F)c2)cc1F ZINC001442473373 1058965505 /nfs/dbraw/zinc/96/55/05/1058965505.db2.gz 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Cc1cc(C(=O)N(C)C2CCS(=O)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC001443968125 1059241414 /nfs/dbraw/zinc/24/14/14/1059241414.db2.gz UAAHQXPEZKDRRS-UHFFFAOYSA-N 0 0 378.925 3.731 20 10 GHCDRN CN(C)c1ccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCCCC2)cc1 ZINC001339684823 1059388771 /nfs/dbraw/zinc/38/87/71/1059388771.db2.gz JXNZPMBMRKKUDC-IBGZPJMESA-N 0 0 389.540 3.842 20 10 GHCDRN Cc1cc(C(=O)N[C@H](CC(N)=O)C2CCCCC2)c(C)n1-c1cccc(C)c1 ZINC001445263134 1059487994 /nfs/dbraw/zinc/48/79/94/1059487994.db2.gz QOHQBMQHHZTRFD-OAQYLSRUSA-N 0 0 381.520 3.957 20 10 GHCDRN Cc1ccc(CNC(=O)c2cc3cc(O)c(O)cc3s2)c(O[C@H]2CCOC2)c1 ZINC001446052737 1059686688 /nfs/dbraw/zinc/68/66/88/1059686688.db2.gz UFGMJEXCFYBPJO-HNNXBMFYSA-N 0 0 399.468 3.719 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC2([C@@H](C)CCO)CCC2)c1 ZINC001446842446 1059878407 /nfs/dbraw/zinc/87/84/07/1059878407.db2.gz CMIUYXHJQKDLJW-INIZCTEOSA-N 0 0 382.504 3.825 20 10 GHCDRN CCOC1CCN(c2nnc(C3SC=CC3=O)n2CCc2ccccc2)CC1 ZINC001340750906 1060095178 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Cn1cnc(/C=C\C(=O)N2CCCc3c(Cl)ccc(Br)c32)c1 ZINC001436635066 1063583216 /nfs/dbraw/zinc/58/32/16/1063583216.db2.gz JJQSCMNXJVLDQC-DAXSKMNVSA-N 0 0 380.673 3.829 20 10 GHCDRN CCOC(=O)c1sc2nc(NC(=O)C3=S=C(C)C=C3C)sc2c1C ZINC001437308064 1063817227 /nfs/dbraw/zinc/81/72/27/1063817227.db2.gz YEJFILBHIQRBSQ-UHFFFAOYSA-N 0 0 380.516 3.839 20 10 GHCDRN Cn1ccnc1C(=O)c1ccc(NCc2cc(Cl)ccc2O)c([N+](=O)[O-])c1 ZINC001458474120 1063832471 /nfs/dbraw/zinc/83/24/71/1063832471.db2.gz SYTVWPRUBILAAY-UHFFFAOYSA-N 0 0 386.795 3.530 20 10 GHCDRN Oc1ccc(Cl)cc1CNc1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC001458472727 1063832594 /nfs/dbraw/zinc/83/25/94/1063832594.db2.gz HZIONZAWARDBAG-UHFFFAOYSA-N 0 0 380.757 3.950 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3ccc(Cl)c4ncccc34)C2)cc1 ZINC001437577130 1063900759 /nfs/dbraw/zinc/90/07/59/1063900759.db2.gz MJZIQOACMUIPSO-AWEZNQCLSA-N 0 0 381.863 3.906 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3c(OC)cccc3C(F)F)C2)cc1 ZINC001350214489 1064022038 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CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)CCc1cccc(Cl)c1 ZINC000795775526 912825685 /nfs/dbraw/zinc/82/56/85/912825685.db2.gz XACSXSWFAZGWDN-UHFFFAOYSA-N 0 0 380.941 3.800 20 10 GHCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000897736259 884455794 /nfs/dbraw/zinc/45/57/94/884455794.db2.gz ZVGDQAKTIAFXFG-IKGGRYGDSA-N 0 0 395.480 3.957 20 10 GHCDRN Cc1cc(C)c(C(=O)NCCc2ccc(O)c(O)c2)c(C)c1Br ZINC000860234196 884462430 /nfs/dbraw/zinc/46/24/30/884462430.db2.gz CAEGBSXULQMHOW-UHFFFAOYSA-N 0 0 378.266 3.758 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000860245313 884479041 /nfs/dbraw/zinc/47/90/41/884479041.db2.gz BAYMOIIPNGMUNT-GCJKJVERSA-N 0 0 398.528 3.691 20 10 GHCDRN CC[C@@H](CC(F)(F)F)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000828519090 884531707 /nfs/dbraw/zinc/53/17/07/884531707.db2.gz FCKVWPBILAGFJS-JTQLQIEISA-N 0 0 381.778 3.526 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000860339704 884576779 /nfs/dbraw/zinc/57/67/79/884576779.db2.gz JTASLQGPCGXXOY-OALUTQOASA-N 0 0 380.488 3.795 20 10 GHCDRN Cc1ccccc1CO[C@@H](C)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000860347599 884582010 /nfs/dbraw/zinc/58/20/10/884582010.db2.gz QJDZUEKPUZHTQM-GHTZIAJQSA-N 0 0 383.488 3.814 20 10 GHCDRN COC(=O)c1cc(NC(=O)NCc2cc(Br)ccc2O)ccc1C ZINC000806326627 884591677 /nfs/dbraw/zinc/59/16/77/884591677.db2.gz SHUMKWOZENLXRW-UHFFFAOYSA-N 0 0 393.237 3.571 20 10 GHCDRN Cc1cc(C)c(CC(=O)NCc2ccc(O)cc2O)c(C)c1Br ZINC001142533105 884598983 /nfs/dbraw/zinc/59/89/83/884598983.db2.gz DCXLPCWHNTYPOV-UHFFFAOYSA-N 0 0 378.266 3.644 20 10 GHCDRN CC(C)(C)OC(=O)Nc1cc(C(=O)NCc2ccc(O)cc2O)ccc1F ZINC001142533411 884600311 /nfs/dbraw/zinc/60/03/11/884600311.db2.gz JFABAFIXOGCRCQ-UHFFFAOYSA-N 0 0 376.384 3.514 20 10 GHCDRN O=C(Cn1c2ccccc2nc1C1CCCCC1)NCc1ccc(O)cc1O ZINC001142533604 884601144 /nfs/dbraw/zinc/60/11/44/884601144.db2.gz MUVGZOLMLJILDL-UHFFFAOYSA-N 0 0 379.460 3.812 20 10 GHCDRN CCn1cc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3C)SC2=S)cn1 ZINC000806548675 884777959 /nfs/dbraw/zinc/77/79/59/884777959.db2.gz GQHZUWIMRKOJMT-OVCLIPMQSA-N 0 0 389.502 3.634 20 10 GHCDRN Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c(Cl)cc1F ZINC000806584180 884801139 /nfs/dbraw/zinc/80/11/39/884801139.db2.gz VDQKKACPDHQZDM-UHFFFAOYSA-N 0 0 377.847 3.946 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCC2([C@@H](C)CCO)CCC2)cc1 ZINC000860610688 884846712 /nfs/dbraw/zinc/84/67/12/884846712.db2.gz ZGVUQEBYZCRHMN-KRWDZBQOSA-N 0 0 396.531 3.754 20 10 GHCDRN CN(C[C@@H]1CCCO[C@H]1c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000761885887 884922099 /nfs/dbraw/zinc/92/20/99/884922099.db2.gz HROOWTGPXQWUCM-BTYIYWSLSA-N 0 0 397.431 3.530 20 10 GHCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCc4c(ccc(Cl)c4Cl)C3)cc2N1 ZINC000761889757 884930722 /nfs/dbraw/zinc/93/07/22/884930722.db2.gz PRIQGNMRTSDQAU-UHFFFAOYSA-N 0 0 394.214 3.795 20 10 GHCDRN CC(=O)Nc1cccc([C@H](C)NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1 ZINC000914847727 884935233 /nfs/dbraw/zinc/93/52/33/884935233.db2.gz IIYATOILCKLHAC-HNNXBMFYSA-N 0 0 376.460 3.939 20 10 GHCDRN C[C@]1(CCc2ccccc2)CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000761905437 884964092 /nfs/dbraw/zinc/96/40/92/884964092.db2.gz RLFKVRXFJFSPEM-NRFANRHFSA-N 0 0 381.432 3.775 20 10 GHCDRN CCN(C)C(=O)c1cccc(NC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000806773205 884965851 /nfs/dbraw/zinc/96/58/51/884965851.db2.gz HKZRMJWEMQTOED-UHFFFAOYSA-N 0 0 381.476 3.685 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)CCCc2cc(F)ccc2F)cc1 ZINC001130745521 884986085 /nfs/dbraw/zinc/98/60/85/884986085.db2.gz ZPNGICVVKCONIK-UHFFFAOYSA-N 0 0 376.447 3.891 20 10 GHCDRN COC(=O)[C@@H](NCc1cc(OC)cc(C(C)(C)C)c1O)c1cc(F)ccc1F ZINC000825556588 884986883 /nfs/dbraw/zinc/98/68/83/884986883.db2.gz SEKKNWYCONLPDH-SFHVURJKSA-N 0 0 393.430 3.980 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)c1 ZINC000806791384 884988820 /nfs/dbraw/zinc/98/88/20/884988820.db2.gz DNSNWKCXSNWAGL-JTQLQIEISA-N 0 0 389.358 3.879 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000806819280 885032390 /nfs/dbraw/zinc/03/23/90/885032390.db2.gz CWIYOFHDVTVHRK-MOPGFXCFSA-N 0 0 383.536 3.757 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](CCO)c1ccc(Cl)cc1 ZINC000806820520 885033028 /nfs/dbraw/zinc/03/30/28/885033028.db2.gz MFKUUSJFVOBWRI-IBGZPJMESA-N 0 0 375.900 3.637 20 10 GHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1Cc2ccccc2C1 ZINC000761965108 885055665 /nfs/dbraw/zinc/05/56/65/885055665.db2.gz JMHXBXJUKSGFIT-GOSISDBHSA-N 0 0 386.442 3.788 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000806855617 885060610 /nfs/dbraw/zinc/06/06/10/885060610.db2.gz SUMMEQTWLRDEIG-UHFFFAOYSA-N 0 0 386.757 3.662 20 10 GHCDRN Cc1csc([C@@H](NC(=O)NCc2cc(Br)ccc2O)C2CC2)n1 ZINC000806865504 885068729 /nfs/dbraw/zinc/06/87/29/885068729.db2.gz AKXDEXZIPOQDDI-AWEZNQCLSA-N 0 0 396.310 3.870 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](C)[C@H](C)c2ccccc2)cc1 ZINC000806869166 885071500 /nfs/dbraw/zinc/07/15/00/885071500.db2.gz LYZSNDIFKBCDHK-RBUKOAKNSA-N 0 0 395.547 3.800 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC000761973450 885080661 /nfs/dbraw/zinc/08/06/61/885080661.db2.gz PYMMOFLHOWAUDC-HNNXBMFYSA-N 0 0 397.475 3.522 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N3CC[C@H](C)[C@H](n4ccnc4)C3)cc2)CC1 ZINC000153396381 885091508 /nfs/dbraw/zinc/09/15/08/885091508.db2.gz PVOVWJVSVNVALE-SIKLNZKXSA-N 0 0 395.551 3.912 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N3CC[C@@H](C)[C@@H](n4ccnc4)C3)cc2)CC1 ZINC000153396645 885092010 /nfs/dbraw/zinc/09/20/10/885092010.db2.gz PVOVWJVSVNVALE-KNQAVFIVSA-N 0 0 395.551 3.912 20 10 GHCDRN Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2nc(C)c(C)s2)c(C)n1-c1ccccn1 ZINC000914904198 885136370 /nfs/dbraw/zinc/13/63/70/885136370.db2.gz XHAUSQAZNPFDDE-AWEZNQCLSA-N 0 0 398.488 3.746 20 10 GHCDRN C[C@@H](c1cc(F)ccc1F)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000052075143 885170793 /nfs/dbraw/zinc/17/07/93/885170793.db2.gz STWYFVBLORDVHE-HNNXBMFYSA-N 0 0 375.463 3.682 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000807100395 885241661 /nfs/dbraw/zinc/24/16/61/885241661.db2.gz KINUZNADZHYMOA-JOCHJYFZSA-N 0 0 393.531 3.725 20 10 GHCDRN CCc1ncc(NC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)cn1 ZINC000747372958 885257199 /nfs/dbraw/zinc/25/71/99/885257199.db2.gz IPTZCRMCBPTBQD-UHFFFAOYSA-N 0 0 379.464 3.932 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000807181807 885305192 /nfs/dbraw/zinc/30/51/92/885305192.db2.gz UKTJABLOTQKNHF-FPOVZHCZSA-N 0 0 394.515 3.658 20 10 GHCDRN CO[C@@H](CCNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1)C(F)(F)F ZINC000861222318 885329154 /nfs/dbraw/zinc/32/91/54/885329154.db2.gz JWBDINRWIOIUHB-KRWDZBQOSA-N 0 0 382.382 3.604 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC[C@@H](C)c2cccc(C)c2)cc1 ZINC000807469726 885467441 /nfs/dbraw/zinc/46/74/41/885467441.db2.gz IOGQMTNIOWCBQL-LJQANCHMSA-N 0 0 395.547 3.720 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000807542876 885521494 /nfs/dbraw/zinc/52/14/94/885521494.db2.gz FZQOIYJKDSVQIH-TZIWHRDSSA-N 0 0 394.515 3.973 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1 ZINC001184015366 912945065 /nfs/dbraw/zinc/94/50/65/912945065.db2.gz ZTDKPCNRMYQRTQ-UHFFFAOYSA-N 0 0 383.448 3.775 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCCO[C@H]2CCCCO2)c1 ZINC000861471173 885539127 /nfs/dbraw/zinc/53/91/27/885539127.db2.gz QRMVWBARIZORIK-NRFANRHFSA-N 0 0 384.476 3.570 20 10 GHCDRN CCC(CC)(CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000807667535 885596201 /nfs/dbraw/zinc/59/62/01/885596201.db2.gz ZAMWNZJNKYCJGZ-GOSISDBHSA-N 0 0 395.547 3.804 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000807652401 885610559 /nfs/dbraw/zinc/61/05/59/885610559.db2.gz SIGFKWGXUXTNHE-PWRODBHTSA-N 0 0 397.563 3.720 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cnn(-c4cccc(Cl)c4)c3)C2)cc1 ZINC001131029698 885617513 /nfs/dbraw/zinc/61/75/13/885617513.db2.gz DRFQRASKWOUZSX-QGZVFWFLSA-N 0 0 396.878 3.543 20 10 GHCDRN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807673148 885623271 /nfs/dbraw/zinc/62/32/71/885623271.db2.gz OKEUMLJSBHNYCO-ZWKOTPCHSA-N 0 0 393.531 3.757 20 10 GHCDRN C[C@@H](NC(=O)C(=O)N[C@H](CC1CCC1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000807676885 885626306 /nfs/dbraw/zinc/62/63/06/885626306.db2.gz IUYFHTMUTOUBCB-VGOFRKELSA-N 0 0 393.531 3.978 20 10 GHCDRN COC(=O)c1c(CNc2ccc([C@@H](C)CC(N)=O)cc2)c2cc(F)ccc2n1C ZINC001183991459 912956419 /nfs/dbraw/zinc/95/64/19/912956419.db2.gz IQUGKZSQQRKAAI-ZDUSSCGKSA-N 0 0 397.450 3.695 20 10 GHCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000762210062 885704995 /nfs/dbraw/zinc/70/49/95/885704995.db2.gz ASNNRHASBBKNQS-LSTHTHJFSA-N 0 0 382.847 3.538 20 10 GHCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000762210064 885705482 /nfs/dbraw/zinc/70/54/82/885705482.db2.gz ASNNRHASBBKNQS-PWIZWCRZSA-N 0 0 382.847 3.538 20 10 GHCDRN C[C@H]1CC(=O)N(C)c2ccc(NC(=O)NCc3ccc4c(c3)CCCN4C)cc21 ZINC000861637495 885716540 /nfs/dbraw/zinc/71/65/40/885716540.db2.gz DIZLOAGTECCYRH-HNNXBMFYSA-N 0 0 392.503 3.861 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1nccnc1C1CC1)c1ccccc1O ZINC001184072342 912975512 /nfs/dbraw/zinc/97/55/12/912975512.db2.gz RYLLKWOWWZSHTM-OAHLLOKOSA-N 0 0 398.463 3.654 20 10 GHCDRN CCc1ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2O)cn1 ZINC001184072235 912975758 /nfs/dbraw/zinc/97/57/58/912975758.db2.gz GJWFFONWFJFTSY-QGZVFWFLSA-N 0 0 385.464 3.944 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000861780364 885855727 /nfs/dbraw/zinc/85/57/27/885855727.db2.gz JASVNXFBPGRSBG-SFHVURJKSA-N 0 0 396.878 3.844 20 10 GHCDRN C[C@@H](c1ccccc1)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000193378253 885855899 /nfs/dbraw/zinc/85/58/99/885855899.db2.gz XSIGBUSGKYFTDX-INIZCTEOSA-N 0 0 385.483 3.689 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1ccc(S(C)(=O)=O)cc1F ZINC000807919275 885855940 /nfs/dbraw/zinc/85/59/40/885855940.db2.gz WHGWXBLUPYUEFG-UHFFFAOYSA-N 0 0 376.497 3.856 20 10 GHCDRN CC(C)N(C(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)C1CC1 ZINC000807951625 885891129 /nfs/dbraw/zinc/89/11/29/885891129.db2.gz CBBVRFPSQOUSCB-OAHLLOKOSA-N 0 0 391.943 3.592 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(C2CCOCC2)c1 ZINC000861818961 885891319 /nfs/dbraw/zinc/89/13/19/885891319.db2.gz FVIZXCXVRAVPRM-UHFFFAOYSA-N 0 0 396.487 3.664 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cccc(C2CCCCC2)c1 ZINC000861831241 885906235 /nfs/dbraw/zinc/90/62/35/885906235.db2.gz RSDWZOGGNORQIQ-OAHLLOKOSA-N 0 0 396.487 3.831 20 10 GHCDRN CCc1noc(C)c1CNC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC000861832485 885907265 /nfs/dbraw/zinc/90/72/65/885907265.db2.gz VSCMGQSVZBMEJU-UHFFFAOYSA-N 0 0 379.460 3.624 20 10 GHCDRN CCn1ccnc1[C@@H](C)NC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC000861916643 885984906 /nfs/dbraw/zinc/98/49/06/885984906.db2.gz SODCUDJPVGAVNI-MRXNPFEDSA-N 0 0 378.476 3.922 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000808093064 886010484 /nfs/dbraw/zinc/01/04/84/886010484.db2.gz HDCPPNBFUWIOFG-UHFFFAOYSA-N 0 0 390.867 3.955 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c(C)n1[C@H]1CCOC1 ZINC000862002276 886045277 /nfs/dbraw/zinc/04/52/77/886045277.db2.gz PMWOOPUZLIIDDR-KKSFZXQISA-N 0 0 383.536 3.802 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)NC[C@@H](O)c3ccc(C)cc3)c2C)cc1 ZINC000762333426 886045582 /nfs/dbraw/zinc/04/55/82/886045582.db2.gz XZUFLJKSGKAEAJ-JOCHJYFZSA-N 0 0 378.472 3.875 20 10 GHCDRN Cc1cc(C(=O)NCc2ccncn2)c(C)n1-c1cccc(Br)c1 ZINC000808149913 886053717 /nfs/dbraw/zinc/05/37/17/886053717.db2.gz NCOSCJHGNBAIPW-UHFFFAOYSA-N 0 0 385.265 3.577 20 10 GHCDRN CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1ccc2cccnc2c1O ZINC000862026747 886063955 /nfs/dbraw/zinc/06/39/55/886063955.db2.gz ZCGGZGKNYZXIQE-AWEZNQCLSA-N 0 0 387.480 3.592 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)C3CCc4ccccc4CC3)C2)cc1 ZINC000862034722 886069079 /nfs/dbraw/zinc/06/90/79/886069079.db2.gz AMHHQBBSTFIUNO-SFHVURJKSA-N 0 0 378.516 3.833 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](C2CC2)C2CCOCC2)c1 ZINC000862127191 886136098 /nfs/dbraw/zinc/13/60/98/886136098.db2.gz YEFVMWOITZEWHT-JOCHJYFZSA-N 0 0 380.488 3.842 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)Nc2cc([C@H]3CCCO3)[nH]n2)c1 ZINC000862151416 886166895 /nfs/dbraw/zinc/16/68/95/886166895.db2.gz HRVWJDJTSJJASF-LJQANCHMSA-N 0 0 378.432 3.734 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)C3(C(F)F)CCCC3)cc2F)C[C@H](C)O1 ZINC000808282185 886188400 /nfs/dbraw/zinc/18/84/00/886188400.db2.gz ZWDCFXIBFOHASF-OKILXGFUSA-N 0 0 384.442 3.881 20 10 GHCDRN CN(Cc1cn(C)nc1C(F)(F)F)Cc1c(O)cccc1Br ZINC000862252068 886255655 /nfs/dbraw/zinc/25/56/55/886255655.db2.gz BDDKMAVZYQDCLH-UHFFFAOYSA-N 0 0 378.192 3.539 20 10 GHCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)c1[O-] ZINC000808425764 886311291 /nfs/dbraw/zinc/31/12/91/886311291.db2.gz JYGJDJGVDQGYST-AWEZNQCLSA-N 0 0 390.745 3.796 20 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/nfs/dbraw/zinc/39/43/89/887394389.db2.gz JCSXAXHHONDZII-UHFFFAOYSA-N 0 0 397.425 3.670 20 10 GHCDRN CCCNS(=O)(=O)c1ccc(NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000864043833 887530325 /nfs/dbraw/zinc/53/03/25/887530325.db2.gz XMHPHSAEPXODDK-UHFFFAOYSA-N 0 0 387.549 3.977 20 10 GHCDRN CCN(Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@H](C)CS(C)(=O)=O ZINC000809576229 887553067 /nfs/dbraw/zinc/55/30/67/887553067.db2.gz SDHDIEZHRUIGPC-GOSISDBHSA-N 0 0 386.561 3.504 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)O[C@@H]3CCO[C@H]([C@@H]4CCOC4)C3)c2C)cc1 ZINC000763063892 887609957 /nfs/dbraw/zinc/60/99/57/887609957.db2.gz DNCOHNJBSFNKIZ-ZNLUXHQJSA-N 0 0 399.487 3.844 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)C2CC2)cc1 ZINC000763066650 887611962 /nfs/dbraw/zinc/61/19/62/887611962.db2.gz XBPJEXHOQHBEIM-QRVBRYPASA-N 0 0 391.606 3.806 20 10 GHCDRN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(OC)cc1Br ZINC000794594145 887617302 /nfs/dbraw/zinc/61/73/02/887617302.db2.gz JOAIIZFPIIEDFE-UHFFFAOYSA-N 0 0 386.267 3.527 20 10 GHCDRN CC[C@H](c1cccc(OC)c1)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000287182806 913166654 /nfs/dbraw/zinc/16/66/54/913166654.db2.gz NQBSYTNSBKZZCV-JOCHJYFZSA-N 0 0 397.519 3.825 20 10 GHCDRN COc1ccc(O)c(CNC(=O)c2nc3ccccc3cc2Br)c1 ZINC000809680222 887700106 /nfs/dbraw/zinc/70/01/06/887700106.db2.gz LCFWGSJXMFOWJJ-UHFFFAOYSA-N 0 0 387.233 3.642 20 10 GHCDRN COc1ccc(O)c(CNC(=O)N[C@H](c2cccc(C)c2)c2ccccn2)c1 ZINC000133591882 887779762 /nfs/dbraw/zinc/77/97/62/887779762.db2.gz RORMQZGOKFHBCJ-OAQYLSRUSA-N 0 0 377.444 3.693 20 10 GHCDRN O=C([O-])[C@H](CCCc1ccccc1)[NH2+]Cc1c(O)cccc1Br ZINC000864507077 887812175 /nfs/dbraw/zinc/81/21/75/887812175.db2.gz HDGGLZDMELULMM-INIZCTEOSA-N 0 0 378.266 3.720 20 10 GHCDRN Cc1ccc(C[C@@H]([NH2+]Cc2c(O)cccc2Br)C(=O)[O-])cc1C ZINC000864516707 887820585 /nfs/dbraw/zinc/82/05/85/887820585.db2.gz PFNBWTIVADXWSE-MRXNPFEDSA-N 0 0 378.266 3.557 20 10 GHCDRN Oc1cc(OCc2ccccc2)ccc1CNc1ccc(C2(O)COC2)cc1 ZINC000809780551 887831807 /nfs/dbraw/zinc/83/18/07/887831807.db2.gz BRFFDNALEXQEEC-UHFFFAOYSA-N 0 0 377.440 3.801 20 10 GHCDRN C[C@@H]1CCC[C@H]([C@H](C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC(=O)[O-])C1 ZINC000864534409 887839109 /nfs/dbraw/zinc/83/91/09/887839109.db2.gz WNOQDYIWDGYHIP-NEWSRXKRSA-N 0 0 392.515 3.669 20 10 GHCDRN Cn1ncc2c1nc(C=Cc1ccc3c(c1)CCN3Cc1ccccc1)[nH]c2=O ZINC000794699478 887886122 /nfs/dbraw/zinc/88/61/22/887886122.db2.gz MTPCRMMVHDFINR-NTMALXAHSA-N 0 0 383.455 3.802 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000864638562 887899906 /nfs/dbraw/zinc/89/99/06/887899906.db2.gz XHQWFVQZAAFSTH-UHFFFAOYSA-N 0 0 385.439 3.925 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2nc([C@H](C)OC)ns2)cc1 ZINC000809924212 887976703 /nfs/dbraw/zinc/97/67/03/887976703.db2.gz JADRAKGIWVTMNC-ZDUSSCGKSA-N 0 0 377.514 3.756 20 10 GHCDRN CC(C)OC[C@H]1C(=O)N(Cc2ccc(N(C)C3CCCCC3)cc2)C(=O)N1C ZINC000794776137 888011006 /nfs/dbraw/zinc/01/10/06/888011006.db2.gz LPSBZKCZVNWNHU-FQEVSTJZSA-N 0 0 387.524 3.643 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc3c(c2)SCC(=O)N3)cc1 ZINC000809974015 888032639 /nfs/dbraw/zinc/03/26/39/888032639.db2.gz IJNIRCQAXXSVNB-UHFFFAOYSA-N 0 0 383.517 3.849 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000056546425 888366162 /nfs/dbraw/zinc/36/61/62/888366162.db2.gz NGZRRSMHBYNSQR-UHFFFAOYSA-N 0 0 384.436 3.656 20 10 GHCDRN COc1cc(F)c(F)cc1NC(=O)NCc1cc(Br)ccc1O ZINC000810271541 888369465 /nfs/dbraw/zinc/36/94/65/888369465.db2.gz VZALNAIVODACQR-UHFFFAOYSA-N 0 0 387.180 3.763 20 10 GHCDRN CNC(=O)c1cncc(/C=C\C(=O)N2C[C@@H](C(C)(C)C)Cc3ccccc32)c1 ZINC001132208384 888392998 /nfs/dbraw/zinc/39/29/98/888392998.db2.gz LASHPRDZNYVNIO-VJIACCKLSA-N 0 0 377.488 3.706 20 10 GHCDRN Cc1cc(C(F)(F)F)nn1CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000810369323 888435114 /nfs/dbraw/zinc/43/51/14/888435114.db2.gz HEYGFEVFMHQNEA-UHFFFAOYSA-N 0 0 394.441 3.763 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(Cl)ncc2Br)c1 ZINC000810348054 888446792 /nfs/dbraw/zinc/44/67/92/888446792.db2.gz PZSKIZQTTISOTE-MRVPVSSYSA-N 0 0 385.645 3.703 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Cn2nc(C(F)(F)F)cc2C)cc1F ZINC000810370495 888466037 /nfs/dbraw/zinc/46/60/37/888466037.db2.gz HLYFHJUHIZSBDA-UHFFFAOYSA-N 0 0 386.393 3.512 20 10 GHCDRN CNC(=O)Oc1cccc(NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000841722027 888469611 /nfs/dbraw/zinc/46/96/11/888469611.db2.gz GIFMRMZDIONFFS-OAHLLOKOSA-N 0 0 384.480 3.532 20 10 GHCDRN CNC(=O)Oc1cccc(NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000841722026 888469858 /nfs/dbraw/zinc/46/98/58/888469858.db2.gz GIFMRMZDIONFFS-HNNXBMFYSA-N 0 0 384.480 3.532 20 10 GHCDRN O=C1/C(=C/c2ccc(C(F)F)cc2)SC(=S)N1CCCN1CCOCC1 ZINC000794859007 888526530 /nfs/dbraw/zinc/52/65/30/888526530.db2.gz DMYAUALEPCSINO-QINSGFPZSA-N 0 0 398.500 3.548 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@@H](c3nncn3C)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000193905952 888537663 /nfs/dbraw/zinc/53/76/63/888537663.db2.gz GXGBUNKDVYYDMT-MRXNPFEDSA-N 0 0 397.910 3.896 20 10 GHCDRN CN1C(=O)/C(=C/c2cnc(-c3ccccc3)nc2)c2cc(Br)cnc21 ZINC000794880448 888664579 /nfs/dbraw/zinc/66/45/79/888664579.db2.gz UHLBXZKRWKHWCQ-FRKPEAEDSA-N 0 0 393.244 3.818 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000195435194 888665435 /nfs/dbraw/zinc/66/54/35/888665435.db2.gz CVCBXZKMOZKABM-UHFFFAOYSA-N 0 0 379.504 3.533 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H](c1c(F)cccc1Cl)N(C)C ZINC000475936988 888763688 /nfs/dbraw/zinc/76/36/88/888763688.db2.gz GKXZXFPZWDCPEB-IBGZPJMESA-N 0 0 391.874 3.573 20 10 GHCDRN COc1ccc(N2CC[NH+](CCCNC(=O)C[C@@H](C)c3ccccc3)CC2)cc1 ZINC000032763950 888825650 /nfs/dbraw/zinc/82/56/50/888825650.db2.gz LHAIVARAXVBJCI-HXUWFJFHSA-N 0 0 395.547 3.517 20 10 GHCDRN O=C(NCCCOCc1ccccc1)NCc1ccc(N2CCSCC2)cc1 ZINC000916210660 888832272 /nfs/dbraw/zinc/83/22/72/888832272.db2.gz GQGXXTQSADGPBZ-UHFFFAOYSA-N 0 0 399.560 3.646 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N[C@@H]3CCSC4(CCC4)C3)CC2)cc1 ZINC000916225018 888852262 /nfs/dbraw/zinc/85/22/62/888852262.db2.gz BPAZZVNOEREACS-QGZVFWFLSA-N 0 0 389.565 3.782 20 10 GHCDRN C[C@H]([NH2+]CCC1(O)CCN(c2ccccc2)CC1)c1cc(F)cc(F)c1[O-] ZINC000866443103 888880182 /nfs/dbraw/zinc/88/01/82/888880182.db2.gz IDTFIOGMNLSFHW-HNNXBMFYSA-N 0 0 376.447 3.743 20 10 GHCDRN O=C(/C=C\c1cccs1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000916457602 889018849 /nfs/dbraw/zinc/01/88/49/889018849.db2.gz HTJQLOJKSCUTGU-WAYWQWQTSA-N 0 0 396.434 3.933 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)c2cccc(C(F)(F)F)n2)c1 ZINC000866762924 889029612 /nfs/dbraw/zinc/02/96/12/889029612.db2.gz AAESHYFMIRJQIE-LLVKDONJSA-N 0 0 382.382 3.970 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2c(C)onc2-c2ccccn2)cc1F ZINC000121233830 889038193 /nfs/dbraw/zinc/03/81/93/889038193.db2.gz YFXPXECBSZEPGA-UHFFFAOYSA-N 0 0 382.439 3.960 20 10 GHCDRN Cc1cc(CSc2ccccc2C(=O)NCCc2ccc(O)c(O)c2)on1 ZINC000154004127 889043917 /nfs/dbraw/zinc/04/39/17/889043917.db2.gz MTNLHSFQFCVAQG-UHFFFAOYSA-N 0 0 384.457 3.659 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](NC(=O)c2ccccc2C)C(C)C)cc1 ZINC000916503528 889077089 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Cc1cc(=NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)[nH]n1C(C)C ZINC000564814491 895262724 /nfs/dbraw/zinc/26/27/24/895262724.db2.gz AJRRBVZTZJDPFT-UHFFFAOYSA-N 0 0 393.535 3.554 20 10 GHCDRN COc1ccc([C@@H]2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)C2)cc1 ZINC000128013565 895310708 /nfs/dbraw/zinc/31/07/08/895310708.db2.gz OYWBKCIZNJLYDG-HXUWFJFHSA-N 0 0 377.488 3.771 20 10 GHCDRN Cc1nc2c(cccc2NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000879822356 895319550 /nfs/dbraw/zinc/31/95/50/895319550.db2.gz QJBZSUBFKVFDQJ-CQSZACIVSA-N 0 0 380.448 3.856 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccccc1COC1CCOCC1 ZINC000128037018 895322424 /nfs/dbraw/zinc/32/24/24/895322424.db2.gz GGORKOFOHVWISK-UHFFFAOYSA-N 0 0 395.499 3.897 20 10 GHCDRN C[C@H](NC(=O)N1CCC[C@H](CC(F)(F)F)C1)c1ccc(N2CCOCC2)cc1 ZINC000817156951 895356092 /nfs/dbraw/zinc/35/60/92/895356092.db2.gz WNFFRNLCVLSRIN-JKSUJKDBSA-N 0 0 399.457 3.958 20 10 GHCDRN CC(=O)Nc1ccccc1C(F)(F)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000826137452 895424187 /nfs/dbraw/zinc/42/41/87/895424187.db2.gz RSPOXBWPULTPGA-UHFFFAOYSA-N 0 0 388.414 3.638 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1nsc2ccccc21 ZINC000880023506 895458218 /nfs/dbraw/zinc/45/82/18/895458218.db2.gz DPVDATJOUHKRLJ-UHFFFAOYSA-N 0 0 382.489 3.797 20 10 GHCDRN CC[C@@H](CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)OC ZINC000817348193 895512020 /nfs/dbraw/zinc/51/20/20/895512020.db2.gz HXWFHJUFWLGWJC-ZDUSSCGKSA-N 0 0 392.502 3.836 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)/C(=C\c2cccs2)NC(C)=O)cc1 ZINC000817515957 895732389 /nfs/dbraw/zinc/73/23/89/895732389.db2.gz RHNPFYIRKRLPLI-XSFVSMFZSA-N 0 0 385.533 3.730 20 10 GHCDRN COC1([C@@H](C)[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])CCOCC1 ZINC000817589198 895757263 /nfs/dbraw/zinc/75/72/63/895757263.db2.gz VYMMLBSYVNSWBI-GHMZBOCLSA-N 0 0 376.266 3.529 20 10 GHCDRN COc1cccc(CNC(=O)C[C@@H](C)c2ccc(Br)cc2)c1O ZINC000128549429 895787059 /nfs/dbraw/zinc/78/70/59/895787059.db2.gz FVQOOXUWJAKTMQ-GFCCVEGCSA-N 0 0 378.266 3.973 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(F)c(C(F)F)c1 ZINC000880685114 895806522 /nfs/dbraw/zinc/80/65/22/895806522.db2.gz NVRBRLHUGVNAHE-UHFFFAOYSA-N 0 0 379.382 3.922 20 10 GHCDRN Nc1ccc(Cc2nc(C(=O)N3CCC(OC4CCCC4)CC3)cs2)cc1 ZINC000817931029 895981082 /nfs/dbraw/zinc/98/10/82/895981082.db2.gz HTCLAOUXXDHHNX-UHFFFAOYSA-N 0 0 385.533 3.880 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCOC2(CCC2)C1 ZINC000888857699 896058458 /nfs/dbraw/zinc/05/84/58/896058458.db2.gz FEZHFQKAERAXSJ-OAHLLOKOSA-N 0 0 394.462 3.722 20 10 GHCDRN O=C(CC(F)(F)C(F)F)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000888858496 896060899 /nfs/dbraw/zinc/06/08/99/896060899.db2.gz RIBWGRIKAWKVCH-UHFFFAOYSA-N 0 0 384.320 3.664 20 10 GHCDRN COc1c([O-])c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000774915217 914031873 /nfs/dbraw/zinc/03/18/73/914031873.db2.gz ZILZDTCOFVDARH-AEFFLSMTSA-N 0 0 390.411 3.536 20 10 GHCDRN CNC(=O)N(C)c1ccc(NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)cc1 ZINC000881056010 896104710 /nfs/dbraw/zinc/10/47/10/896104710.db2.gz SBZQFPGJLVGHHN-MRXNPFEDSA-N 0 0 397.523 3.589 20 10 GHCDRN CCOc1ccc([C@@H](C)N2C(=O)CN(Cc3ccccc3O)C2=O)cc1OCC ZINC000819165921 896439629 /nfs/dbraw/zinc/43/96/29/896439629.db2.gz HJLXESHIWXPVFD-OAHLLOKOSA-N 0 0 398.459 3.715 20 10 GHCDRN O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1CCCOc2c(Cl)cccc21 ZINC000819171192 896444746 /nfs/dbraw/zinc/44/47/46/896444746.db2.gz SDKOPTFLNVJFOK-MRXNPFEDSA-N 0 0 386.835 3.724 20 10 GHCDRN Cc1cc(C)c(S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(C)c1 ZINC000819421749 896718949 /nfs/dbraw/zinc/71/89/49/896718949.db2.gz MPXSLGMGWJABKT-LJQANCHMSA-N 0 0 389.517 3.687 20 10 GHCDRN COc1ccc(N2CCN(C(=O)CCc3c[nH]c4c3cccc4C)CC2)cc1 ZINC000129587482 896756926 /nfs/dbraw/zinc/75/69/26/896756926.db2.gz POSGAXKADWRFOH-UHFFFAOYSA-N 0 0 377.488 3.766 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)Cn3c(C)cc4ccccc43)C2)cc1 ZINC000819579527 896819516 /nfs/dbraw/zinc/81/95/16/896819516.db2.gz BOHJKTJHXFSXPA-GOSISDBHSA-N 0 0 377.488 3.601 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)CSCc3cccc(C)c3)C2)cc1 ZINC000819580215 896822090 /nfs/dbraw/zinc/82/20/90/896822090.db2.gz GWBGDQWPGZBGBT-LJQANCHMSA-N 0 0 384.545 3.880 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3ccccc3OC(F)F)C2)cc1 ZINC000819580682 896824814 /nfs/dbraw/zinc/82/48/14/896824814.db2.gz NIURIICJFWYMFA-CQSZACIVSA-N 0 0 376.403 3.553 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cn(C)nc3C3CCCCC3)C2)cc1 ZINC000819581946 896827557 /nfs/dbraw/zinc/82/75/57/896827557.db2.gz GWESLMOPZSUXMO-KRWDZBQOSA-N 0 0 396.535 3.733 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[C@]34CCc3ccccc34)C2)cc1 ZINC000819584250 896830246 /nfs/dbraw/zinc/83/02/46/896830246.db2.gz FKCCCIBFOGMKDZ-UWSIMGETSA-N 0 0 376.500 3.542 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CC(C)(C)Oc4ccccc43)C2)cc1 ZINC000819587903 896837992 /nfs/dbraw/zinc/83/79/92/896837992.db2.gz QRFDOARMWDFXIQ-LAUBAEHRSA-N 0 0 394.515 3.983 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3c(Cl)cncc3Cl)C2)cc1 ZINC000819589290 896838837 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899272107 /nfs/dbraw/zinc/27/21/07/899272107.db2.gz YESLSJHIJGZTFJ-QKYXUNIQSA-N 0 0 378.463 3.916 20 10 GHCDRN Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)/C=C\c1cnc2ccccc2n1 ZINC000823836535 899272177 /nfs/dbraw/zinc/27/21/77/899272177.db2.gz NXRNRARQYJLQON-WLMCBFPDSA-N 0 0 387.365 3.688 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)NCCC(C)(C)C(=O)OC(C)(C)C)cc1 ZINC000823836708 899272529 /nfs/dbraw/zinc/27/25/29/899272529.db2.gz PLQMRBANEGDMTJ-UHFFFAOYSA-N 0 0 377.529 3.652 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)Nc3ccc4c(c3)OCCCO4)C2)cc1 ZINC000824006549 899328073 /nfs/dbraw/zinc/32/80/73/899328073.db2.gz GDWGHOVJYLXCEA-INIZCTEOSA-N 0 0 397.475 3.505 20 10 GHCDRN COc1ccc([C@@H](O)CNC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1 ZINC000133964965 899352442 /nfs/dbraw/zinc/35/24/42/899352442.db2.gz WYDDODXMKQTYMJ-QFIPXVFZSA-N 0 0 394.471 3.575 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)Nc3ccc(N(C)C)cc3C)C2)cc1 ZINC000824041536 899356798 /nfs/dbraw/zinc/35/67/98/899356798.db2.gz ANGILZYOGFIAQN-KRWDZBQOSA-N 0 0 382.508 3.718 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)Nc3ccc4nc(C)oc4c3)C2)cc1 ZINC000824025893 899371490 /nfs/dbraw/zinc/37/14/90/899371490.db2.gz CPIVVYRAMQUBQY-HNNXBMFYSA-N 0 0 380.448 3.793 20 10 GHCDRN CCOc1cc(F)ccc1NC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000824090722 899390186 /nfs/dbraw/zinc/39/01/86/899390186.db2.gz KBPWUURMQYPMSN-OAHLLOKOSA-N 0 0 387.455 3.881 20 10 GHCDRN O=C(CCCc1nc2ccccc2[nH]1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000117975272 899401279 /nfs/dbraw/zinc/40/12/79/899401279.db2.gz ATVBTOGTJYWIDM-SFHVURJKSA-N 0 0 393.487 3.799 20 10 GHCDRN Cc1cnc(CCCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)o1 ZINC000824153664 899429425 /nfs/dbraw/zinc/42/94/25/899429425.db2.gz SAAFWBJAFMZDAG-HXUWFJFHSA-N 0 0 385.508 3.580 20 10 GHCDRN CCCCn1ncc(NC(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)c1C ZINC000824247817 899492179 /nfs/dbraw/zinc/49/21/79/899492179.db2.gz WYIMPVBKQUPNBJ-QGZVFWFLSA-N 0 0 385.512 3.648 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N[C@@H](C(C)(C)C)C(F)(F)F)C2)cc1 ZINC000824289501 899503441 /nfs/dbraw/zinc/50/34/41/899503441.db2.gz XSAOODJGBCCAIB-CJNGLKHVSA-N 0 0 387.446 3.798 20 10 GHCDRN CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000824292106 899504928 /nfs/dbraw/zinc/50/49/28/899504928.db2.gz LLESDDVFKOQUJD-FZKQIMNGSA-N 0 0 397.313 3.501 20 10 GHCDRN Cc1cc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)nc(C(F)(F)F)n1 ZINC000778773518 899585611 /nfs/dbraw/zinc/58/56/11/899585611.db2.gz NHRQQUUNJWYKHX-UHFFFAOYSA-N 0 0 392.425 3.970 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccccc1C(F)F ZINC000824420839 899617043 /nfs/dbraw/zinc/61/70/43/899617043.db2.gz DTQQIHVUVGMDNN-UHFFFAOYSA-N 0 0 379.382 3.922 20 10 GHCDRN O=C(Nc1ccc2cc[nH]c(=O)c2c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000824473803 899619392 /nfs/dbraw/zinc/61/93/92/899619392.db2.gz WVNJXRMEZMXRHF-SFHVURJKSA-N 0 0 393.443 3.859 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Cl)cc1COC ZINC000824535885 899663501 /nfs/dbraw/zinc/66/35/01/899663501.db2.gz LREIYDTYUXIFSN-UHFFFAOYSA-N 0 0 390.867 3.569 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)Cc2ccccc2O[C@@H]2CCOC2)C2CC2)cc1 ZINC000824661368 899750139 /nfs/dbraw/zinc/75/01/39/899750139.db2.gz XESCFYYSNUBBNY-JOCHJYFZSA-N 0 0 394.515 3.654 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N3CCSC4(CCC4)CC3)C2)cc1 ZINC000824682060 899763188 /nfs/dbraw/zinc/76/31/88/899763188.db2.gz UUDBFVZIHKWYPI-KRWDZBQOSA-N 0 0 389.565 3.593 20 10 GHCDRN Cc1c(Br)cc(C(=O)N(C)Cc2ccccc2O)cc1[N+](=O)[O-] ZINC000134204052 899778748 /nfs/dbraw/zinc/77/87/48/899778748.db2.gz XKSQADHRYADKEJ-UHFFFAOYSA-N 0 0 379.210 3.644 20 10 GHCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2ccncc2Cl)cc1 ZINC000824778888 899801784 /nfs/dbraw/zinc/80/17/84/899801784.db2.gz VFEDTWMBALXJHK-IBGZPJMESA-N 0 0 387.911 3.551 20 10 GHCDRN CO[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2[O-])C[C@H]1C ZINC000824815705 899823436 /nfs/dbraw/zinc/82/34/36/899823436.db2.gz XDAJBUWHJYRDNZ-NOZJJQNGSA-N 0 0 393.119 3.774 20 10 GHCDRN CCS[C@H](C)c1noc(CN(C)Cc2ccc(Br)cc2O)n1 ZINC000824933251 899895272 /nfs/dbraw/zinc/89/52/72/899895272.db2.gz CLEFGAGJDSSRNQ-SNVBAGLBSA-N 0 0 386.315 3.984 20 10 GHCDRN Cc1cc(O)c(CNc2cccc(C(=O)N3CCC(CO)CC3)c2)cc1Cl ZINC000824975442 899921950 /nfs/dbraw/zinc/92/19/50/899921950.db2.gz DYOOHBMUTFRUBL-UHFFFAOYSA-N 0 0 388.895 3.811 20 10 GHCDRN CC(C)(C)OC(=O)NCc1cccnc1NCc1ccc(N2CCOCC2)cc1 ZINC000825067725 899960548 /nfs/dbraw/zinc/96/05/48/899960548.db2.gz FEYDOBYMASWXQI-UHFFFAOYSA-N 0 0 398.507 3.555 20 10 GHCDRN CN(C)c1ccc(CN[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)cc1 ZINC000825269619 900064212 /nfs/dbraw/zinc/06/42/12/900064212.db2.gz SFNJCUJOZOXGBK-HNNXBMFYSA-N 0 0 375.435 3.688 20 10 GHCDRN COc1ccc(OC(C)(C)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000825425662 900161057 /nfs/dbraw/zinc/16/10/57/900161057.db2.gz GATDRPKPJZZPIK-UHFFFAOYSA-N 0 0 398.503 3.646 20 10 GHCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1cc(F)ccc1SCC(F)F ZINC000135034456 900166547 /nfs/dbraw/zinc/16/65/47/900166547.db2.gz IRHWGWLLDJLILN-UHFFFAOYSA-N 0 0 386.395 3.958 20 10 GHCDRN NC(=O)C1CCN(c2ccc(CNc3ncnc4cc(Cl)ccc43)cc2)CC1 ZINC000884694383 900237357 /nfs/dbraw/zinc/23/73/57/900237357.db2.gz KUEJZCPWACCTLB-UHFFFAOYSA-N 0 0 395.894 3.597 20 10 GHCDRN COCc1ccc([C@H]2CCCN2C(=O)NCCCSc2nccs2)o1 ZINC000135473585 900245569 /nfs/dbraw/zinc/24/55/69/900245569.db2.gz LQVBDUGMVRXGOC-CQSZACIVSA-N 0 0 381.523 3.911 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC(C)(C)C(=O)OC(C)(C)C)cc1 ZINC001171101082 900492633 /nfs/dbraw/zinc/49/26/33/900492633.db2.gz DMTUQWSEDYYATG-UHFFFAOYSA-N 0 0 398.503 3.686 20 10 GHCDRN Cc1cc(C(=O)Nc2n[nH]c(C)c2C)c(C)n1-c1ccc(Br)cn1 ZINC001143786461 900531699 /nfs/dbraw/zinc/53/16/99/900531699.db2.gz CMFRYOIWFUGNOM-UHFFFAOYSA-N 0 0 388.269 3.844 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCc4cncn4C3)cc2Cl)C1 ZINC000844140256 900550748 /nfs/dbraw/zinc/55/07/48/900550748.db2.gz VNSBLUXXVGQNQC-RDJZCZTQSA-N 0 0 386.927 3.652 20 10 GHCDRN COc1ccc(N2CCN(Cc3cc(F)c(OC)c(Cl)c3)CC2)c(OC)c1 ZINC001143854257 900634282 /nfs/dbraw/zinc/63/42/82/900634282.db2.gz RLSOZEUXGSAHJP-UHFFFAOYSA-N 0 0 394.874 3.827 20 10 GHCDRN Cc1cc(C(=O)Nc2cncnc2-n2cccn2)c(C)n1-c1cc(C)cc(C)c1 ZINC001143869840 900648124 /nfs/dbraw/zinc/64/81/24/900648124.db2.gz LFHXHWMVQUZXHM-UHFFFAOYSA-N 0 0 386.459 3.939 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 ZINC000136942793 900771300 /nfs/dbraw/zinc/77/13/00/900771300.db2.gz BNKHAFFZGNIKFN-GIVPXCGWSA-N 0 0 392.499 3.824 20 10 GHCDRN Cc1cc(C(=O)N2CCC3(CC2)C[C@H](O)CCO3)c(C)n1-c1ccccc1C ZINC000886119391 900798537 /nfs/dbraw/zinc/79/85/37/900798537.db2.gz FYKKASBUPMQQMY-LJQANCHMSA-N 0 0 382.504 3.549 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3cc(Cl)c(N)c(Cl)c3)CC2)cc1 ZINC000137263319 900846595 /nfs/dbraw/zinc/84/65/95/900846595.db2.gz UFBLSLXEEHQVJO-UHFFFAOYSA-N 0 0 394.302 3.937 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2ccccc2N2CCCC2)cc1 ZINC000844493465 900929945 /nfs/dbraw/zinc/92/99/45/900929945.db2.gz UOJPOVYVTWLBGQ-UHFFFAOYSA-N 0 0 382.508 3.896 20 10 GHCDRN CC(C)(C)NC(=O)c1ccc(NC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC000844498717 900939716 /nfs/dbraw/zinc/93/97/16/900939716.db2.gz RHZLWHZURFFTQA-UHFFFAOYSA-N 0 0 375.856 3.896 20 10 GHCDRN O=C(NCc1cc(Cl)ccc1O)Nc1cccc(CN2CCCCC2=O)c1 ZINC000844525972 900966289 /nfs/dbraw/zinc/96/62/89/900966289.db2.gz UOHSJMLBJYRPKG-UHFFFAOYSA-N 0 0 387.867 3.880 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccccc1Cn1cccn1 ZINC000066698350 901018315 /nfs/dbraw/zinc/01/83/15/901018315.db2.gz SBJFHSJDAVSUHO-UHFFFAOYSA-N 0 0 378.476 3.759 20 10 GHCDRN COc1c([O-])c(C[NH2+]CCCc2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000775013346 914503124 /nfs/dbraw/zinc/50/31/24/914503124.db2.gz UWZHIBAORSQCBC-UHFFFAOYSA-N 0 0 395.253 3.794 20 10 GHCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCC[C@H]1CC1(Cl)Cl ZINC000844742099 901220807 /nfs/dbraw/zinc/22/08/07/901220807.db2.gz MICBJMMCSAGIJM-NSHDSACASA-N 0 0 391.682 3.784 20 10 GHCDRN Cc1cc(C(=O)NC2(c3ncccn3)CCOCC2)c(C)n1-c1cccc(C)c1 ZINC000886934902 901335966 /nfs/dbraw/zinc/33/59/66/901335966.db2.gz OWGXIVFRJSZZFY-UHFFFAOYSA-N 0 0 390.487 3.628 20 10 GHCDRN O=C(Cc1ccc(SC2CC2)cc1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000826530916 901400671 /nfs/dbraw/zinc/40/06/71/901400671.db2.gz NDDDIOODTSRUFO-UHFFFAOYSA-N 0 0 396.556 3.761 20 10 GHCDRN CC(C)c1cccc(NC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 ZINC000887202192 901557078 /nfs/dbraw/zinc/55/70/78/901557078.db2.gz ASSWJEURCIQQQI-UHFFFAOYSA-N 0 0 394.519 3.833 20 10 GHCDRN CCOCCN(CC(=O)NCc1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC001171157240 901647180 /nfs/dbraw/zinc/64/71/80/901647180.db2.gz UCCJWFQKHOVFOI-UHFFFAOYSA-N 0 0 389.927 3.565 20 10 GHCDRN Cc1cccc(-n2ncc(C(=O)NCc3ccc(O)c(O)c3)c2C(F)(F)F)c1 ZINC000778919844 901667439 /nfs/dbraw/zinc/66/74/39/901667439.db2.gz NVXOOLKDAJGWKT-UHFFFAOYSA-N 0 0 391.349 3.541 20 10 GHCDRN [O-]c1cc(F)c(Br)cc1C[N@@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001144307725 901698278 /nfs/dbraw/zinc/69/82/78/901698278.db2.gz GOZXIJSIDAMYTE-CQSZACIVSA-N 0 0 381.245 3.732 20 10 GHCDRN COc1cccc(C[N@H+](C)Cc2cc(Br)c(F)cc2[O-])c1OC ZINC001144307798 901699377 /nfs/dbraw/zinc/69/93/77/901699377.db2.gz HWMSRJIUNCWDPO-UHFFFAOYSA-N 0 0 384.245 3.943 20 10 GHCDRN [O-]c1cc(F)c(Br)cc1CN1CC[C@@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001144308589 901703152 /nfs/dbraw/zinc/70/31/52/901703152.db2.gz QEPFVPUPBMDZHM-JKSUJKDBSA-N 0 0 389.284 3.692 20 10 GHCDRN Cc1cc(C(=O)N2CCC(O)(C(F)(F)F)CC2)c(C)n1-c1ccc(F)cc1 ZINC000122190327 901740575 /nfs/dbraw/zinc/74/05/75/901740575.db2.gz CTQHMWLULOSJKM-UHFFFAOYSA-N 0 0 384.373 3.763 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCO[C@H]1c1ccncc1 ZINC000845116827 901798261 /nfs/dbraw/zinc/79/82/61/901798261.db2.gz KDTQOUFKAGGVFZ-YADHBBJMSA-N 0 0 379.504 3.808 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000845117824 901799646 /nfs/dbraw/zinc/79/96/46/901799646.db2.gz XRSXXLIAUJAHPC-UHFFFAOYSA-N 0 0 385.439 3.925 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccccc1Cl ZINC000047323042 901845797 /nfs/dbraw/zinc/84/57/97/901845797.db2.gz GYAFOWHQPLAMMO-UHFFFAOYSA-N 0 0 377.847 3.762 20 10 GHCDRN CC(C)(C)OC(=O)c1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cn1 ZINC000845315574 902031303 /nfs/dbraw/zinc/03/13/03/902031303.db2.gz NONPTPFFSIUXDL-UHFFFAOYSA-N 0 0 395.503 3.957 20 10 GHCDRN CCOC(=O)CCc1cccnc1NCc1cc(Br)ccc1O ZINC001171175315 902062291 /nfs/dbraw/zinc/06/22/91/902062291.db2.gz KMMAVPHVTNSCHR-UHFFFAOYSA-N 0 0 379.254 3.658 20 10 GHCDRN C[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Cl)cc1 ZINC000845567720 902244663 /nfs/dbraw/zinc/24/46/63/902244663.db2.gz ZZYUNFSHOVPJKZ-MRXNPFEDSA-N 0 0 386.923 3.969 20 10 GHCDRN CSc1cc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)ccc1C ZINC000845807142 902382893 /nfs/dbraw/zinc/38/28/93/902382893.db2.gz NDJUNFQCXAVQHZ-UHFFFAOYSA-N 0 0 383.517 3.572 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1 ZINC000845832585 902437641 /nfs/dbraw/zinc/43/76/41/902437641.db2.gz FKFVZOLOHUTVBI-JKIFEVAISA-N 0 0 392.496 3.662 20 10 GHCDRN COc1ccc(O)c(CNC(=O)C2(c3cccc(OC(F)(F)F)c3)CC2)c1 ZINC000845832858 902441676 /nfs/dbraw/zinc/44/16/76/902441676.db2.gz HIZSVZWJCGUJHW-UHFFFAOYSA-N 0 0 381.350 3.647 20 10 GHCDRN C[C@H](COCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1 ZINC000845859449 902463782 /nfs/dbraw/zinc/46/37/82/902463782.db2.gz ZVWZCXFTPUTADV-WIYYLYMNSA-N 0 0 383.488 3.720 20 10 GHCDRN COc1cc(OC)cc([C@@H](N[C@@H](C)c2cccc(OC)c2O)c2nccn2C)c1 ZINC000846139344 902745538 /nfs/dbraw/zinc/74/55/38/902745538.db2.gz RNDRITUYNIHIDB-VBKZILBWSA-N 0 0 397.475 3.592 20 10 GHCDRN Cc1ccc(N(CC(C)C)C(=O)c2cc(NS(C)(=O)=O)ccc2O)c(C)c1 ZINC000846299681 902860884 /nfs/dbraw/zinc/86/08/84/902860884.db2.gz ULSMUHDEBMSNQC-UHFFFAOYSA-N 0 0 390.505 3.683 20 10 GHCDRN Cc1cc(C(=O)N2CCC(Cn3cnnc3)CC2)c(C)n1-c1cccc(C)c1 ZINC000846476490 903004132 /nfs/dbraw/zinc/00/41/32/903004132.db2.gz VGCIUNTWWSTPJY-UHFFFAOYSA-N 0 0 377.492 3.546 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 ZINC001144868130 903050806 /nfs/dbraw/zinc/05/08/06/903050806.db2.gz NHHUWVFMBJDDAJ-UHFFFAOYSA-N 0 0 392.503 3.706 20 10 GHCDRN O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCC[C@@H](F)C1 ZINC000846631358 903102709 /nfs/dbraw/zinc/10/27/09/903102709.db2.gz ZVFYBSNWUAXVCC-HLVNSREUSA-N 0 0 398.550 3.690 20 10 GHCDRN CC(C)(COc1ncccc1C(F)(F)F)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000772955728 903218691 /nfs/dbraw/zinc/21/86/91/903218691.db2.gz ZAPSPCXFUSTVOC-UHFFFAOYSA-N 0 0 385.342 3.661 20 10 GHCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1ccc(OCC(F)(F)F)nn1 ZINC000846823708 903244217 /nfs/dbraw/zinc/24/42/17/903244217.db2.gz WNWWXUKKBRFQBB-UHFFFAOYSA-N 0 0 389.324 3.972 20 10 GHCDRN Cc1c(C(=O)NCc2ccc(N3CCOCC3)cc2)cccc1-c1ccccn1 ZINC000132417282 903253331 /nfs/dbraw/zinc/25/33/31/903253331.db2.gz BNURCSKBYCOCGM-UHFFFAOYSA-N 0 0 387.483 3.824 20 10 GHCDRN CN(C)c1ccc(/N=N/c2ccccc2C(=O)N2CCC(CC(N)=O)CC2)cc1 ZINC000132725704 903300603 /nfs/dbraw/zinc/30/06/03/903300603.db2.gz UBCKDXUUDYAMKL-OCOZRVBESA-N 0 0 393.491 3.896 20 10 GHCDRN C/C(=C\c1cccnc1)C(=O)N(CC(=O)OC(C)(C)C)c1ccc2c(c1)OCO2 ZINC000846903450 903301185 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CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1coc2ccccc12 ZINC000265165473 903678973 /nfs/dbraw/zinc/67/89/73/903678973.db2.gz SKSSGBZUXXYBTA-UHFFFAOYSA-N 0 0 379.460 3.611 20 10 GHCDRN Cc1cccc(C(=O)Nc2ccc(N(C)CCN(C)c3ccc(N)cc3)cc2)n1 ZINC001147220721 903737968 /nfs/dbraw/zinc/73/79/68/903737968.db2.gz MESGMMYSVBJJKA-UHFFFAOYSA-N 0 0 389.503 3.797 20 10 GHCDRN COc1ccc(F)c(C(=O)Nc2ccc(NC(=O)Nc3ccc(N)cc3)cc2)n1 ZINC001147777316 903874355 /nfs/dbraw/zinc/87/43/55/903874355.db2.gz BCSMNHZUUDZBLW-UHFFFAOYSA-N 0 0 395.394 3.708 20 10 GHCDRN COC(=O)c1c[nH]c2cc(NC(=O)c3cc4cc(O)c(O)cc4s3)ccc21 ZINC001147884311 903906548 /nfs/dbraw/zinc/90/65/48/903906548.db2.gz BZBGGWPIWXAZHP-UHFFFAOYSA-N 0 0 382.397 3.833 20 10 GHCDRN C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(O)c1 ZINC001148444499 904087859 /nfs/dbraw/zinc/08/78/59/904087859.db2.gz SVCZYTRMXHIQIT-ZBFHGGJFSA-N 0 0 390.430 3.882 20 10 GHCDRN Cc1c([C@@H](C)[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)cccc1[N+](=O)[O-] ZINC000151576901 904160619 /nfs/dbraw/zinc/16/06/19/904160619.db2.gz ZDVHRWOTXRRFOF-QGZVFWFLSA-N 0 0 383.492 3.963 20 10 GHCDRN CNC(=O)[C@@H](C)CN(C)C(=O)c1ccccc1/N=N/c1ccc(N(C)C)cc1 ZINC000152454161 904269895 /nfs/dbraw/zinc/26/98/95/904269895.db2.gz DEYNWZAROFYHOI-KGHZBTQCSA-N 0 0 381.480 3.622 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(O)c(Br)c(O)c1 ZINC001148989625 904275470 /nfs/dbraw/zinc/27/54/70/904275470.db2.gz RKDSAXHSYMDVDX-UHFFFAOYSA-N 0 0 393.281 3.589 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000282802306 904328397 /nfs/dbraw/zinc/32/83/97/904328397.db2.gz HGJBRBAJXPUBBV-LJQANCHMSA-N 0 0 396.491 3.620 20 10 GHCDRN NC(=O)c1ccc(N2C(=O)/C(=C/c3cccc(Cl)c3F)SC2=S)cc1 ZINC000159920625 904333753 /nfs/dbraw/zinc/33/37/53/904333753.db2.gz PUBQZVHWRZUBDZ-JYRVWZFOSA-N 0 0 392.864 3.984 20 10 GHCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC001171352820 904342157 /nfs/dbraw/zinc/34/21/57/904342157.db2.gz HBYATKWAPMIBFG-KRWDZBQOSA-N 0 0 397.475 3.901 20 10 GHCDRN C[C@H](NC(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000773010532 904366239 /nfs/dbraw/zinc/36/62/39/904366239.db2.gz BEPSPAXJAUVNET-QGTPRVQTSA-N 0 0 375.513 3.623 20 10 GHCDRN C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccc(N(C)C)cc1 ZINC000773012674 904369958 /nfs/dbraw/zinc/36/99/58/904369958.db2.gz VRJRQZVMRFRVDP-LPHOPBHVSA-N 0 0 397.494 3.621 20 10 GHCDRN COc1cc(CNc2ccc3c(c2)ncn3C)c([N+](=O)[O-])cc1OCC(F)F ZINC000779123951 904401741 /nfs/dbraw/zinc/40/17/41/904401741.db2.gz ZVYVQMCAHCLEFM-UHFFFAOYSA-N 0 0 392.362 3.746 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccccc2[C@@H]2CCC(=O)N2)cc1F ZINC000889150618 904452827 /nfs/dbraw/zinc/45/28/27/904452827.db2.gz KDCXIAGTNAXYHI-IBGZPJMESA-N 0 0 398.482 3.945 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1csc2ccccc12 ZINC000779148681 904660002 /nfs/dbraw/zinc/66/00/02/904660002.db2.gz GETYASYLYCHKFN-UHFFFAOYSA-N 0 0 381.501 3.955 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)Nc2nnccc2C(F)(F)F)c1 ZINC001186828767 914840190 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COc1ccc(N2CCN(C(=O)C3(Cc4ccccc4F)CC3)CC2)cc1F ZINC000188500892 904930811 /nfs/dbraw/zinc/93/08/11/904930811.db2.gz ZPRGPXCCTLOUGZ-UHFFFAOYSA-N 0 0 386.442 3.645 20 10 GHCDRN C[C@@H](NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1ccccc1O ZINC001171722760 904947557 /nfs/dbraw/zinc/94/75/57/904947557.db2.gz DCRCRNUJZAUOQM-BXUZGUMPSA-N 0 0 393.270 3.929 20 10 GHCDRN COc1c(O)c(CN[C@@H](CCc2ccccc2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000775058099 914873161 /nfs/dbraw/zinc/87/31/61/914873161.db2.gz SVTXDIHOBWQWDG-HNNXBMFYSA-N 0 0 384.354 3.962 20 10 GHCDRN COC(=O)[C@@H](NCc1ccc(N2CCCCC2)cc1)c1ccc(OC)cc1OC ZINC000779182110 905190158 /nfs/dbraw/zinc/19/01/58/905190158.db2.gz SFRRWKDYXNDLCB-QFIPXVFZSA-N 0 0 398.503 3.698 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000174250382 905232780 /nfs/dbraw/zinc/23/27/80/905232780.db2.gz RCLIDNKVIXJGDG-ZDUSSCGKSA-N 0 0 383.427 3.502 20 10 GHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccncc1Cl ZINC000174425909 905269222 /nfs/dbraw/zinc/26/92/22/905269222.db2.gz BDEVDVBLGFQPPQ-GFCCVEGCSA-N 0 0 381.810 3.735 20 10 GHCDRN O=C(c1ccccc1)c1ccc(O)c(C[NH+]2CCC([C@H]3CCCO3)CC2)c1[O-] ZINC000190185627 905840293 /nfs/dbraw/zinc/84/02/93/905840293.db2.gz GSBVTCMNHDUDEC-OAQYLSRUSA-N 0 0 381.472 3.720 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000176808867 905937728 /nfs/dbraw/zinc/93/77/28/905937728.db2.gz ODFOLQLXXVDFBV-WOJBJXKFSA-N 0 0 383.492 3.678 20 10 GHCDRN CN(Cc1nc2c(s1)CCCC2)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000176842709 905955589 /nfs/dbraw/zinc/95/55/89/905955589.db2.gz MXACDUYOJDPFNQ-DHZHZOJOSA-N 0 0 397.544 3.530 20 10 GHCDRN C[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000190355504 905993129 /nfs/dbraw/zinc/99/31/29/905993129.db2.gz KVIKKFYBDKWIPC-WBVHZDCISA-N 0 0 377.504 3.555 20 10 GHCDRN COc1ccc(N2CCN(C(=O)CS[C@@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000190882368 906380908 /nfs/dbraw/zinc/38/09/08/906380908.db2.gz OMIHQDZEDUUVAX-KRWDZBQOSA-N 0 0 395.528 3.710 20 10 GHCDRN C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1nc2c(s1)CCCC2 ZINC000179405512 906495253 /nfs/dbraw/zinc/49/52/53/906495253.db2.gz HDCAJBPLPMBXEX-AWEZNQCLSA-N 0 0 389.540 3.973 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)CC2CCC3(CC2)OCCO3)cc1F ZINC000191245761 906790846 /nfs/dbraw/zinc/79/08/46/906790846.db2.gz IRBAIAQEVUAIIX-UHFFFAOYSA-N 0 0 378.488 3.612 20 10 GHCDRN CS(=O)(=O)c1cccc(Nc2ccc(C(=O)Oc3ccc(N)cc3)cc2)c1 ZINC001174029608 906794738 /nfs/dbraw/zinc/79/47/38/906794738.db2.gz YJCZLXAUKWYVSI-UHFFFAOYSA-N 0 0 382.441 3.635 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000180711381 906826175 /nfs/dbraw/zinc/82/61/75/906826175.db2.gz UBBJNDWRKMKTLT-QUZHSLKNSA-N 0 0 393.361 3.730 20 10 GHCDRN CN1CCCc2cc(CNC(=O)CCCc3nnc(-c4ccccc4)o3)ccc21 ZINC000299390306 921307562 /nfs/dbraw/zinc/30/75/62/921307562.db2.gz RVEFUTXBQJGYID-UHFFFAOYSA-N 0 0 390.487 3.758 20 10 GHCDRN CCOCCOc1ccc(Cl)cc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779515379 907357389 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CCCCN(Cc1ccccc1O)C(=O)Nc1ccc2[nH]nc(C(=O)OC)c2c1 ZINC000801629292 921334653 /nfs/dbraw/zinc/33/46/53/921334653.db2.gz GKHHEKYKNKJQJQ-UHFFFAOYSA-N 0 0 396.447 3.889 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000779547960 907587587 /nfs/dbraw/zinc/58/75/87/907587587.db2.gz YUKADXWCVPYJPA-IUAZIXFQSA-N 0 0 393.270 3.813 20 10 GHCDRN COc1cc(Cl)cc(CN(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000184677447 907635261 /nfs/dbraw/zinc/63/52/61/907635261.db2.gz SCZNZFHFJJGXRG-LBPRGKRZSA-N 0 0 383.897 3.651 20 10 GHCDRN C[C@H](CCC(=O)NCc1ccc(N2CCCC2)cc1)NC(=O)OC(C)(C)C ZINC000192410312 907636230 /nfs/dbraw/zinc/63/62/30/907636230.db2.gz OHFJMVYCGDWDEX-MRXNPFEDSA-N 0 0 375.513 3.596 20 10 GHCDRN Cc1ccc(S(=O)(=O)N(c2ccc(N)cc2)c2ccc3cn(C)nc3c2)cc1 ZINC001175615527 907667736 /nfs/dbraw/zinc/66/77/36/907667736.db2.gz OBNWYNMDMFAKLL-UHFFFAOYSA-N 0 0 392.484 3.991 20 10 GHCDRN COc1ccc(O)c([C@@H](C)N[C@H](c2nccn2C)c2cc(OC)cc(OC)c2)c1 ZINC000184960365 907687652 /nfs/dbraw/zinc/68/76/52/907687652.db2.gz AHRUWZWANJAIFS-SZNDQCEHSA-N 0 0 397.475 3.592 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(Cc2ccc(Nc3cccc(O)c3O)cc2)CC1 ZINC001176041011 907899378 /nfs/dbraw/zinc/89/93/78/907899378.db2.gz HREKOCVLXOYJCD-UHFFFAOYSA-N 0 0 399.491 3.894 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)NCC1CCN(CC(F)(F)F)CC1 ZINC000186730990 907976575 /nfs/dbraw/zinc/97/65/75/907976575.db2.gz RHIYZKDDUSUTSD-UHFFFAOYSA-N 0 0 387.446 3.588 20 10 GHCDRN O=C(NCc1cccc(O)c1O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001176565999 908179430 /nfs/dbraw/zinc/17/94/30/908179430.db2.gz RAXUYOIQZGCWDS-UHFFFAOYSA-N 0 0 394.383 3.515 20 10 GHCDRN COc1cc2c(cc1F)CN(Cc1cc(Br)cc(OC)c1O)CC2 ZINC000777441080 908190851 /nfs/dbraw/zinc/19/08/51/908190851.db2.gz WGCJKBCCIBGTAN-UHFFFAOYSA-N 0 0 396.256 3.869 20 10 GHCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3cc(Cl)ccc3Cl)c2)CC1 ZINC000189339846 908310381 /nfs/dbraw/zinc/31/03/81/908310381.db2.gz NMVFDDJWTWIVDU-UHFFFAOYSA-N 0 0 392.286 3.914 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@H]1c1cccs1 ZINC000193377154 908312475 /nfs/dbraw/zinc/31/24/75/908312475.db2.gz RYVZYDKOEVRIKI-SFHVURJKSA-N 0 0 389.496 3.771 20 10 GHCDRN C[C@H](NC(=O)N1CCO[C@@]2(CCc3ccccc32)C1)c1ccc(N(C)C)cc1 ZINC000773613363 908432439 /nfs/dbraw/zinc/43/24/39/908432439.db2.gz QFPHCPTZUNTJEK-SBUREZEXSA-N 0 0 379.504 3.697 20 10 GHCDRN O=C(Nc1nc2c(s1)CCCC2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000193497127 908442823 /nfs/dbraw/zinc/44/28/23/908442823.db2.gz NHMAGOLAERIBDO-OAHLLOKOSA-N 0 0 387.505 3.941 20 10 GHCDRN CCN(C[C@@H]1COc2ccccc2O1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773620083 908448106 /nfs/dbraw/zinc/44/81/06/908448106.db2.gz VJPBQGDJUCPNBQ-VQIMIIECSA-N 0 0 383.492 3.685 20 10 GHCDRN C[C@@H](NC(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccc(N(C)C)cc1 ZINC000773627157 908473348 /nfs/dbraw/zinc/47/33/48/908473348.db2.gz WGKNMLASKFPZDC-SJORKVTESA-N 0 0 392.507 3.797 20 10 GHCDRN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000191145086 908583692 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O=C([C@H]1CCc2ccccc21)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001181759441 910962821 /nfs/dbraw/zinc/96/28/21/910962821.db2.gz HHRHPFGJUMTLHE-IBGZPJMESA-N 0 0 390.405 3.964 20 10 GHCDRN CCCc1[nH]ccc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817530442 910998989 /nfs/dbraw/zinc/99/89/89/910998989.db2.gz ZPNCVNRRBRCCKB-UHFFFAOYSA-N 0 0 377.435 3.967 20 10 GHCDRN Nc1ccc(NC(=O)Nc2ccc(NC(=O)[C@@H](CO)c3ccccc3)cc2)cc1 ZINC001181926047 911058609 /nfs/dbraw/zinc/05/86/09/911058609.db2.gz YVICITPOKSWRGB-FQEVSTJZSA-N 0 0 390.443 3.627 20 10 GHCDRN COc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1OC(C)C ZINC000273990827 911162163 /nfs/dbraw/zinc/16/21/63/911162163.db2.gz LWPUGOYNAKLLDD-UHFFFAOYSA-N 0 0 399.491 3.641 20 10 GHCDRN CC[C@H](CSC)N(C)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000774172819 911469550 /nfs/dbraw/zinc/46/95/50/911469550.db2.gz SMBBRSRKZZSDIM-YQQAZPJKSA-N 0 0 397.560 3.722 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1nnn(Cc2ccccc2F)c1C ZINC000283390119 911492478 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CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CCc3cc(O)ccc3C2)cc1 ZINC000775071688 914959288 /nfs/dbraw/zinc/95/92/88/914959288.db2.gz DAOYUWMPPQVHKN-FQEVSTJZSA-N 0 0 381.520 3.937 20 10 GHCDRN C[C@@H]1SCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1c1ccccc1 ZINC000303689257 915064750 /nfs/dbraw/zinc/06/47/50/915064750.db2.gz LMABUCMOBKXMEN-FDDCHVKYSA-N 0 0 397.588 3.890 20 10 GHCDRN CCOCc1nc([C@@H](C)NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)no1 ZINC000291301576 915089130 /nfs/dbraw/zinc/08/91/30/915089130.db2.gz UDNZROCMKAKZPI-CYBMUJFWSA-N 0 0 386.427 3.644 20 10 GHCDRN CC(C)[C@H]1N(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC12CCC2 ZINC000291655116 915301682 /nfs/dbraw/zinc/30/16/82/915301682.db2.gz OCEAPVXYBZQELQ-HXUWFJFHSA-N 0 0 389.515 3.507 20 10 GHCDRN Cc1cc(C(=O)CN2CC[C@](F)(CO)C2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000802014991 921761369 /nfs/dbraw/zinc/76/13/69/921761369.db2.gz WYGDXMNPYDOMIN-LJQANCHMSA-N 0 0 398.400 3.702 20 10 GHCDRN CCCc1nc(C)c(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000292052969 915494030 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N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)c1ccnn1-c1ccccc1 ZINC001188424741 915934981 /nfs/dbraw/zinc/93/49/81/915934981.db2.gz UMXVDUNZXJPODU-OPMSBBQGSA-N 0 0 383.415 3.839 20 10 GHCDRN COc1ccc(NC(=O)NCc2cc(Cl)c3cccnc3c2O)c(OC)c1 ZINC001188567398 916033459 /nfs/dbraw/zinc/03/34/59/916033459.db2.gz UCHLSRUQJXBFNG-UHFFFAOYSA-N 0 0 387.823 3.933 20 10 GHCDRN COCCn1c(C)c(C)c2cc(-c3nc(C4(COC)CCOCC4)no3)ccc21 ZINC000293229970 916073414 /nfs/dbraw/zinc/07/34/14/916073414.db2.gz RLJIAXJXUURFHZ-UHFFFAOYSA-N 0 0 399.491 3.649 20 10 GHCDRN Nc1ccc(N(c2ccc(N)cc2)c2ccc(NC(=O)c3nc[nH]n3)cc2)cc1 ZINC001188696421 916118950 /nfs/dbraw/zinc/11/89/50/916118950.db2.gz YGDUSJJDEDORAV-UHFFFAOYSA-N 0 0 385.431 3.691 20 10 GHCDRN Cc1cc(C(=O)Nc2ccc(N(C)CCN(C)c3ccc(N)cc3)cc2)ccn1 ZINC001188790482 916207704 /nfs/dbraw/zinc/20/77/04/916207704.db2.gz YQQCZHODQUIVTC-UHFFFAOYSA-N 0 0 389.503 3.797 20 10 GHCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCc2cncnc2)cc1 ZINC000293563808 916271500 /nfs/dbraw/zinc/27/15/00/916271500.db2.gz 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395.369 3.688 20 10 GHCDRN Fc1cccnc1O[C@H]1CC[C@H]2[C@H]1OCCN2Cc1ccc(N2CCCC2)cc1 ZINC001204321773 1032766259 /nfs/dbraw/zinc/76/62/59/1032766259.db2.gz FKLLYLJSDXRCBM-FDFHNCONSA-N 0 0 397.494 3.632 20 10 GHCDRN Cn1cc2c(n1)CN(Cc1ccc(N3CCCC3)cc1)C[C@@H]2COCC1CC1 ZINC001204327741 1032770384 /nfs/dbraw/zinc/77/03/84/1032770384.db2.gz GYTMKDSGAOAXDH-HXUWFJFHSA-N 0 0 380.536 3.546 20 10 GHCDRN COc1cc(CN2CCC(Oc3ccccc3OC(C)C)CC2)cc(O)c1O ZINC001204345038 1032785024 /nfs/dbraw/zinc/78/50/24/1032785024.db2.gz GHOGEISFJMZUDM-UHFFFAOYSA-N 0 0 387.476 3.937 20 10 GHCDRN CCOC(=O)[C@@H]1CCC[C@@H](c2ccccc2)N1Cc1cc(O)c(O)c(OC)c1 ZINC001204349034 1032787159 /nfs/dbraw/zinc/78/71/59/1032787159.db2.gz MUJWFYQARUIDTB-ROUUACIJSA-N 0 0 385.460 3.765 20 10 GHCDRN O=[N+]([O-])c1cc(C(F)(F)N2CCCc3cc(O)c(O)cc3C2)cnc1Cl ZINC001155933369 1032799424 /nfs/dbraw/zinc/79/94/24/1032799424.db2.gz RQKYUDWIZPANAI-UHFFFAOYSA-N 0 0 385.754 3.552 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(CCCOCc2ccccc2)CC1 ZINC000935311954 1018985864 /nfs/dbraw/zinc/98/58/64/1018985864.db2.gz SZXBAMLCQRFWGH-QGZVFWFLSA-N 0 0 383.488 3.922 20 10 GHCDRN Cc1cc(N2CCCc3cc(O)c(O)cc3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001155945021 1032805979 /nfs/dbraw/zinc/80/59/79/1032805979.db2.gz PRHCQPMUOKVANZ-UHFFFAOYSA-N 0 0 392.415 3.724 20 10 GHCDRN O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(OC3CCSCC3)c21 ZINC001228194983 1032833556 /nfs/dbraw/zinc/83/35/56/1032833556.db2.gz SHKCISLNDXYSSA-KRWDZBQOSA-N 0 0 388.441 3.784 20 10 GHCDRN COc1cccc(C(=O)NCc2c(O)ccc3c2CCCC3)c1OC(F)F ZINC000156313148 1019652536 /nfs/dbraw/zinc/65/25/36/1019652536.db2.gz YITQGHBCHDEBHJ-UHFFFAOYSA-N 0 0 377.387 3.811 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(Cc1ccco1)C1CCCC1 ZINC000575947851 1019960101 /nfs/dbraw/zinc/96/01/01/1019960101.db2.gz DTOJLWIAZONDAX-UHFFFAOYSA-N 0 0 393.487 3.667 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000159184831 1020170518 /nfs/dbraw/zinc/17/05/18/1020170518.db2.gz NDPMNBALCLIOER-AZUAARDMSA-N 0 0 386.442 3.564 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159199235 1020173866 /nfs/dbraw/zinc/17/38/66/1020173866.db2.gz RKHAJSSWPJLXAR-CQSZACIVSA-N 0 0 394.441 3.648 20 10 GHCDRN COC(=O)[C@H](NCc1cc(Br)cc(C)c1O)c1ccccc1F ZINC000779178423 1020460471 /nfs/dbraw/zinc/46/04/71/1020460471.db2.gz OQPNSXAZDNDXIL-OAHLLOKOSA-N 0 0 382.229 3.606 20 10 GHCDRN COc1ccc(O)c(CNC(=O)N[C@@H](C)[C@@H](OC)c2ccccc2Cl)c1 ZINC000779352006 1020734410 /nfs/dbraw/zinc/73/44/10/1020734410.db2.gz ZAGKPAUOZQGHIS-KPZWWZAWSA-N 0 0 378.856 3.630 20 10 GHCDRN CC(C)Oc1ccc(N(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000191579253 1020789557 /nfs/dbraw/zinc/78/95/57/1020789557.db2.gz UCAOFBKBVIBTQY-UHFFFAOYSA-N 0 0 389.459 3.606 20 10 GHCDRN CC1(C)O[C@H]2C(=O)O[C@H](COc3ccccc3NN=C3C=CC=CC3=O)[C@H]2O1 ZINC001228419356 1032928137 /nfs/dbraw/zinc/92/81/37/1032928137.db2.gz OSVCXQCMWQMFTK-CRTWZGCASA-N 0 0 384.388 3.632 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000779480125 1020828013 /nfs/dbraw/zinc/82/80/13/1020828013.db2.gz SPXMHDGUILHVLY-KXFIGUGUSA-N 0 0 396.424 3.644 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000779494763 1020830309 /nfs/dbraw/zinc/83/03/09/1020830309.db2.gz ZCRJVZUPVIHIGF-QBFSEMIESA-N 0 0 388.423 3.680 20 10 GHCDRN COc1ccc(N2CCCN(Cc3cncc(Br)c3)CC2)cc1 ZINC000193769172 1020949735 /nfs/dbraw/zinc/94/97/35/1020949735.db2.gz JLYXUJTVRJLKRC-UHFFFAOYSA-N 0 0 376.298 3.565 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000834509933 1021233853 /nfs/dbraw/zinc/23/38/53/1021233853.db2.gz RNORGXUPMCEJPR-VQTJNVASSA-N 0 0 395.503 3.574 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)/C=C/c1cnccc1C ZINC000834514578 1021238302 /nfs/dbraw/zinc/23/83/02/1021238302.db2.gz PNOYXLBGXIWUHT-QPJJXVBHSA-N 0 0 395.503 3.792 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(Cl)nc3F)cc2F)C[C@H](C)O1 ZINC001626157335 1021293573 /nfs/dbraw/zinc/29/35/73/1021293573.db2.gz CGAGVMFLIVWOBD-TXEJJXNPSA-N 0 0 395.837 3.557 20 10 GHCDRN OC1CCN(c2ccc(CN3CCOC[C@H]3c3ccc(Cl)cc3)cc2)CC1 ZINC001140286720 1021318040 /nfs/dbraw/zinc/31/80/40/1021318040.db2.gz BVYOPBWBLKKAOM-QFIPXVFZSA-N 0 0 386.923 3.875 20 10 GHCDRN COc1cccc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccnc2)c1O ZINC000800532158 1021318066 /nfs/dbraw/zinc/31/80/66/1021318066.db2.gz MALJPXCQSJMULR-SFHVURJKSA-N 0 0 399.491 3.590 20 10 GHCDRN OC1CCN(c2ccc(CN3Cc4cnc(-c5ccccc5)nc4C3)cc2)CC1 ZINC001140288089 1021322331 /nfs/dbraw/zinc/32/23/31/1021322331.db2.gz MGBHDVMMKVQYOZ-UHFFFAOYSA-N 0 0 386.499 3.621 20 10 GHCDRN CCOC(=O)[C@@H]1c2ccc(OC)cc2CCN1Cc1c(O)cccc1Cl ZINC001140342282 1021455587 /nfs/dbraw/zinc/45/55/87/1021455587.db2.gz BBRVTLUPSLAGSL-IBGZPJMESA-N 0 0 375.852 3.717 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000802253558 1021485951 /nfs/dbraw/zinc/48/59/51/1021485951.db2.gz ZNUIWPIFHKJWDR-IBGZPJMESA-N 0 0 387.524 3.638 20 10 GHCDRN Oc1cc2c(cc1O)CN(Cc1sc(N3CCCC3)nc1Cl)CCC2 ZINC001140365970 1021503530 /nfs/dbraw/zinc/50/35/30/1021503530.db2.gz JWCKGQUHQNLZAH-UHFFFAOYSA-N 0 0 379.913 3.756 20 10 GHCDRN CCc1nc2cc(C[NH2+]Cc3ccc([N+](=O)[O-])c(OC)c3[O-])ccc2n1C1CC1 ZINC000802659201 1021517364 /nfs/dbraw/zinc/51/73/64/1021517364.db2.gz FWMOGAZFPPRELD-UHFFFAOYSA-N 0 0 396.447 3.846 20 10 GHCDRN Cc1cc(CC(=O)N(C)[C@H](CC(N)=O)c2ccccc2)c(C)n1-c1ccccc1 ZINC000834852499 1021553865 /nfs/dbraw/zinc/55/38/65/1021553865.db2.gz PUJWDKLWEPUTTP-JOCHJYFZSA-N 0 0 389.499 3.712 20 10 GHCDRN C[C@@H]([NH2+]CCC(C)(C)CO)c1cc(Br)cc(Br)c1[O-] ZINC000834871883 1021585576 /nfs/dbraw/zinc/58/55/76/1021585576.db2.gz UPISCURENXWJMV-SECBINFHSA-N 0 0 395.135 3.976 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)c1 ZINC000834878171 1021599178 /nfs/dbraw/zinc/59/91/78/1021599178.db2.gz JYBCWUJRWGSCSH-YVEFUNNKSA-N 0 0 397.393 3.972 20 10 GHCDRN C[C@@H]([NH2+]CCC1(CO)CC1)c1cc(Br)cc(Br)c1[O-] ZINC000834895275 1021637877 /nfs/dbraw/zinc/63/78/77/1021637877.db2.gz APZJPDXSPRRAIR-SECBINFHSA-N 0 0 393.119 3.730 20 10 GHCDRN CS(=O)(=O)Nc1ccc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC001204608806 1032992669 /nfs/dbraw/zinc/99/26/69/1032992669.db2.gz SNYLQERKTAJHEZ-UHFFFAOYSA-N 0 0 392.436 3.577 20 10 GHCDRN CC[C@@](C)(NC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C)C(=O)OC ZINC000748675230 1021710192 /nfs/dbraw/zinc/71/01/92/1021710192.db2.gz IEQBTLDJPPDOHA-HXUWFJFHSA-N 0 0 376.884 3.748 20 10 GHCDRN CCOC[C@@H]1CN(Cc2ccc(Cl)cc2O)Cc2nn(CC3CC3)cc21 ZINC001140463256 1021753600 /nfs/dbraw/zinc/75/36/00/1021753600.db2.gz YDILLXXQMGYGAL-INIZCTEOSA-N 0 0 375.900 3.788 20 10 GHCDRN CCOC[C@H]1CN(Cc2ccc(Cl)cc2O)Cc2c1cnn2CC1CC1 ZINC001140466379 1021760860 /nfs/dbraw/zinc/76/08/60/1021760860.db2.gz CSFPXFUUUPMPDI-MRXNPFEDSA-N 0 0 375.900 3.788 20 10 GHCDRN Cc1cc(CC(=O)NC[C@@H]2COC(C)(C)O2)c(C)n1-c1ccc(Cl)cc1 ZINC001137273539 1021783665 /nfs/dbraw/zinc/78/36/65/1021783665.db2.gz XEXFHPVOAPZJBH-GOSISDBHSA-N 0 0 376.884 3.558 20 10 GHCDRN Cc1c(NC/C=C\c2ccc(N(C)C)cc2)cccc1C(=O)N1CCOCC1 ZINC000835030531 1021786601 /nfs/dbraw/zinc/78/66/01/1021786601.db2.gz YZSOPRGASBIPEE-WAYWQWQTSA-N 0 0 379.504 3.659 20 10 GHCDRN CCC[C@@]1(CO)CCCN1C(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001156399861 1033017977 /nfs/dbraw/zinc/01/79/77/1033017977.db2.gz HDHNASYEMLSYPG-QHCPKHFHSA-N 0 0 384.520 3.682 20 10 GHCDRN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(Cc1c([O-])cc(F)cc1F)C2 ZINC001140580518 1022000367 /nfs/dbraw/zinc/00/03/67/1022000367.db2.gz FZXWLOCGVLEJIA-UHFFFAOYSA-N 0 0 396.441 3.791 20 10 GHCDRN CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3c([O-])cc(F)cc3F)CC[C@@H]2C1 ZINC001140583030 1022005059 /nfs/dbraw/zinc/00/50/59/1022005059.db2.gz UJJVAGKZQUCWAW-OKILXGFUSA-N 0 0 382.451 3.749 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)cnc1OC(C)C ZINC000835327223 1022034011 /nfs/dbraw/zinc/03/40/11/1022034011.db2.gz HEYSXSMXKHYJOP-UHFFFAOYSA-N 0 0 399.491 3.650 20 10 GHCDRN COC(=O)c1ccc2c(c1)CN(Cc1ccc(N3CCC(OC)CC3)cc1)C2 ZINC000827767435 1022336809 /nfs/dbraw/zinc/33/68/09/1022336809.db2.gz ZLMIFEPQLPAVLQ-UHFFFAOYSA-N 0 0 380.488 3.604 20 10 GHCDRN C[C@@H](NC(=O)N[C@@H]1CCCOc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000726245070 1022408650 /nfs/dbraw/zinc/40/86/50/1022408650.db2.gz GKJNOUGMBUPRSL-DYESRHJHSA-N 0 0 395.503 3.797 20 10 GHCDRN COc1ccc(N2CCN(CN3c4cccc5cccc(c45)C3=O)CC2)cc1F ZINC000754015217 1022426080 /nfs/dbraw/zinc/42/60/80/1022426080.db2.gz XMEYUEGDGWWPAW-UHFFFAOYSA-N 0 0 391.446 3.727 20 10 GHCDRN CO[C@@H]([C@@H](C)NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CC1 ZINC000835939224 1022491864 /nfs/dbraw/zinc/49/18/64/1022491864.db2.gz IBAXNYAGHYTFHU-KUHUBIRLSA-N 0 0 380.448 3.970 20 10 GHCDRN Cc1ccc(/C=C/C(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)cn1 ZINC000754301892 1022596045 /nfs/dbraw/zinc/59/60/45/1022596045.db2.gz JWEOPRFODZSZDO-YXMGTMDOSA-N 0 0 383.879 3.665 20 10 GHCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(-n2cccn2)cc1 ZINC000754547669 1022763834 /nfs/dbraw/zinc/76/38/34/1022763834.db2.gz HSBUETUKULWUQP-UHFFFAOYSA-N 0 0 393.402 3.900 20 10 GHCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cnn(-c2ccccc2)c1 ZINC000754552939 1022764967 /nfs/dbraw/zinc/76/49/67/1022764967.db2.gz SXORSNGBTZIBTG-UHFFFAOYSA-N 0 0 393.402 3.900 20 10 GHCDRN Cc1nc(CCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cs1 ZINC000754553311 1022765086 /nfs/dbraw/zinc/76/50/86/1022765086.db2.gz VHMHSEKZEXXGJD-UHFFFAOYSA-N 0 0 376.437 3.798 20 10 GHCDRN C[C@H](NC(=O)NC[C@@H]1CCCCC1(F)F)c1ccc(N2CCOCC2)cc1 ZINC000836256480 1022782203 /nfs/dbraw/zinc/78/22/03/1022782203.db2.gz QRLKTCIDXAKYHT-RDJZCZTQSA-N 0 0 381.467 3.709 20 10 GHCDRN C[C@H](S[C@@H]1CCO[C@H]1C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000754728193 1022862196 /nfs/dbraw/zinc/86/21/96/1022862196.db2.gz XAYKNRHCRYDHRG-WTOJCKNJSA-N 0 0 395.480 3.700 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@](C)(O)c1cccc(C(F)(F)F)c1 ZINC000754842822 1022928584 /nfs/dbraw/zinc/92/85/84/1022928584.db2.gz BBUPJRMCVFLLNH-LJQANCHMSA-N 0 0 380.410 3.604 20 10 GHCDRN C[C@H](NC(=O)N[C@@H]1C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1)c1ccc(N(C)C)cc1 ZINC000836405859 1022949172 /nfs/dbraw/zinc/94/91/72/1022949172.db2.gz MTRUQVAQMGHSSJ-YGWPLHOASA-N 0 0 399.539 3.507 20 10 GHCDRN C[C@H](NC(=O)N1Cc2cnn(-c3ccccc3)c2C1)c1ccc(N(C)C)cc1 ZINC000836405712 1022949765 /nfs/dbraw/zinc/94/97/65/1022949765.db2.gz LAIUKYRNNPTGHJ-INIZCTEOSA-N 0 0 375.476 3.725 20 10 GHCDRN C[C@H](SC[C@H]1CCCO1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000754914120 1022964221 /nfs/dbraw/zinc/96/42/21/1022964221.db2.gz OUSBQCSNMGWLBX-UONOGXRCSA-N 0 0 395.480 3.701 20 10 GHCDRN CO[C@@H]1CC[C@@H]2OCCN(CC(=O)c3cc(C)n(-c4cccc(C)c4)c3C)[C@@H]2C1 ZINC000755052660 1023047200 /nfs/dbraw/zinc/04/72/00/1023047200.db2.gz CEGYTOHDCFGKAQ-BKULYWANSA-N 0 0 396.531 3.854 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1cc(C2CC2)ccc1F ZINC000836527793 1023081820 /nfs/dbraw/zinc/08/18/20/1023081820.db2.gz AFYRNBYRICDMJQ-UHFFFAOYSA-N 0 0 397.494 3.881 20 10 GHCDRN COc1cc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc(OC)c1C ZINC000836670152 1023233075 /nfs/dbraw/zinc/23/30/75/1023233075.db2.gz UBVWFVLRRIFDDM-MRXNPFEDSA-N 0 0 399.491 3.732 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(C2CCC2)cn1 ZINC000836701915 1023273533 /nfs/dbraw/zinc/27/35/33/1023273533.db2.gz KBAULMKTWZDOIU-UHFFFAOYSA-N 0 0 394.519 3.880 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3ccc4c(c3)CCCC4=O)CC2)cc1F ZINC000836710316 1023286522 /nfs/dbraw/zinc/28/65/22/1023286522.db2.gz QZCHMQHOHMVKQE-UHFFFAOYSA-N 0 0 397.450 3.707 20 10 GHCDRN COc1ccccc1-c1nnc(NC(=O)NCc2ccc(N(C)C)cc2C)s1 ZINC000836717509 1023294407 /nfs/dbraw/zinc/29/44/07/1023294407.db2.gz DMSKACUYAQNBEO-UHFFFAOYSA-N 0 0 397.504 3.910 20 10 GHCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCN(c2cccc(F)c2F)CC1 ZINC001156591990 1033122593 /nfs/dbraw/zinc/12/25/93/1033122593.db2.gz LJHGLZJUDSVZOR-UHFFFAOYSA-N 0 0 390.411 3.553 20 10 GHCDRN CCS(=O)(=O)Cc1ccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000836770474 1023354521 /nfs/dbraw/zinc/35/45/21/1023354521.db2.gz AXCSQWILPJYJTB-HNNXBMFYSA-N 0 0 389.521 3.570 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@H]2CC(=O)c2ccco2)cc1 ZINC000755980597 1023462364 /nfs/dbraw/zinc/46/23/64/1023462364.db2.gz DQHJQYXAMPGTSY-FQEVSTJZSA-N 0 0 392.455 3.801 20 10 GHCDRN Cc1cc(C(=O)N[C@@]2(C)CCOC2)c(C)n1-c1cccc(Br)c1 ZINC000756211050 1023556441 /nfs/dbraw/zinc/55/64/41/1023556441.db2.gz PYKFHNPMGUOSLT-SFHVURJKSA-N 0 0 377.282 3.765 20 10 GHCDRN C[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)c1cc(Br)c(F)cc1[O-] ZINC000756352583 1023602550 /nfs/dbraw/zinc/60/25/50/1023602550.db2.gz VDTWPMKKCQSNBE-MNOVXSKESA-N 0 0 382.229 3.784 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](c2ccccc2OC)N2CCCC2)c1 ZINC000756355283 1023603926 /nfs/dbraw/zinc/60/39/26/1023603926.db2.gz PYLZTFSKMLOKHV-OXJNMPFZSA-N 0 0 398.503 3.675 20 10 GHCDRN Cc1cccc([C@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])N2CCOCC2)c1 ZINC000756408437 1023632728 /nfs/dbraw/zinc/63/27/28/1023632728.db2.gz MPAWUADESARYTB-QRWLVFNGSA-N 0 0 376.447 3.703 20 10 GHCDRN C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000756430228 1023644048 /nfs/dbraw/zinc/64/40/48/1023644048.db2.gz JXEBGKMSPGRTOJ-OLZOCXBDSA-N 0 0 390.430 3.740 20 10 GHCDRN CC[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1ccccc1OCC(=O)N(C)C ZINC000756434752 1023647606 /nfs/dbraw/zinc/64/76/06/1023647606.db2.gz YQXBFFBHKHFJMV-SCLBCKFNSA-N 0 0 392.446 3.939 20 10 GHCDRN COCCOc1ccc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])cn1 ZINC000756434838 1023647886 /nfs/dbraw/zinc/64/78/86/1023647886.db2.gz URSBHKBWWVXFTE-LLVKDONJSA-N 0 0 399.260 3.565 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1cc(Br)cc(Br)c1[O-] ZINC000756447374 1023655656 /nfs/dbraw/zinc/65/56/56/1023655656.db2.gz UZOPLWWVJVIFAH-GXSJLCMTSA-N 0 0 392.135 3.662 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000756454967 1023659693 /nfs/dbraw/zinc/65/96/93/1023659693.db2.gz GWGHXDJCFPMYHN-HUUCEWRRSA-N 0 0 382.460 3.717 20 10 GHCDRN C[C@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000756505712 1023688289 /nfs/dbraw/zinc/68/82/89/1023688289.db2.gz XWKCWWRFZJPFIQ-IFXJQAMLSA-N 0 0 378.875 3.909 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000756530316 1023699849 /nfs/dbraw/zinc/69/98/49/1023699849.db2.gz XFZBXQMGNNUUAT-OAHLLOKOSA-N 0 0 384.476 3.507 20 10 GHCDRN C[C@@H]([NH2+]C[C@H](C)N(C)C)c1cc(Br)cc(Br)c1[O-] ZINC000756535900 1023703338 /nfs/dbraw/zinc/70/33/38/1023703338.db2.gz SGYFCGMTJXJQSL-DTWKUNHWSA-N 0 0 380.124 3.518 20 10 GHCDRN C[C@@H]([NH2+]CCOC[C@H]1CCCO1)c1cc(Br)cc(Cl)c1[O-] ZINC000756583383 1023721658 /nfs/dbraw/zinc/72/16/58/1023721658.db2.gz NLVQKOCVYKOGDP-ZYHUDNBSSA-N 0 0 378.694 3.654 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)c1 ZINC000756615986 1023738962 /nfs/dbraw/zinc/73/89/62/1023738962.db2.gz YAFSZUJPLHVWPU-MRXNPFEDSA-N 0 0 397.519 3.564 20 10 GHCDRN CN(CC(=O)N[C@H](c1cccs1)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000756654543 1023756277 /nfs/dbraw/zinc/75/62/77/1023756277.db2.gz WHUIQPHZDXOBFN-NRFANRHFSA-N 0 0 380.469 3.819 20 10 GHCDRN CN(CC(=O)Nc1ccc(Br)cc1Cl)c1ccc2c(c1)OCO2 ZINC000756654624 1023756323 /nfs/dbraw/zinc/75/63/23/1023756323.db2.gz KHWAZCQPEBOTPD-UHFFFAOYSA-N 0 0 397.656 3.906 20 10 GHCDRN C[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1cc(Br)c(F)cc1[O-] ZINC000756737766 1023793839 /nfs/dbraw/zinc/79/38/39/1023793839.db2.gz AZFSSDKRCHAKIH-STFLBKPXSA-N 0 0 386.286 3.882 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)c2c(Cl)cccc2Cl)c1 ZINC000756737484 1023793935 /nfs/dbraw/zinc/79/39/35/1023793935.db2.gz GUQPCJIEBCWFRS-QFYYESIMSA-N 0 0 384.259 3.870 20 10 GHCDRN C[C@H]([NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756756955 1023801964 /nfs/dbraw/zinc/80/19/64/1023801964.db2.gz AWXJQPGKGWVREI-GXTWGEPZSA-N 0 0 398.381 3.821 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756762436 1023804729 /nfs/dbraw/zinc/80/47/29/1023804729.db2.gz ZYWARXGTVIMCBK-OLZOCXBDSA-N 0 0 398.381 3.821 20 10 GHCDRN C[C@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1cc(Br)c(F)cc1[O-] ZINC000756783089 1023814094 /nfs/dbraw/zinc/81/40/94/1023814094.db2.gz DQQXKNROAHOHAI-DYZYQPBXSA-N 0 0 386.236 3.991 20 10 GHCDRN C[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1cc(Br)cc(Cl)c1[O-] ZINC000756788827 1023816419 /nfs/dbraw/zinc/81/64/19/1023816419.db2.gz DAVYQYHSHUZOHN-SECBINFHSA-N 0 0 385.693 3.515 20 10 GHCDRN Cc1nc(NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)sc1C ZINC000756960932 1023887345 /nfs/dbraw/zinc/88/73/45/1023887345.db2.gz AFWGBJUMZWZCOA-UHFFFAOYSA-N 0 0 398.511 3.628 20 10 GHCDRN Cc1csc([C@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C2CC2)n1 ZINC000830521072 1023966046 /nfs/dbraw/zinc/96/60/46/1023966046.db2.gz GYWYNTOLADJWLR-QGZVFWFLSA-N 0 0 384.530 3.962 20 10 GHCDRN COc1cccc(CNC(=O)Cc2sc(SCC(C)C)nc2C)c1O ZINC000830535239 1023972626 /nfs/dbraw/zinc/97/26/26/1023972626.db2.gz DENHYPADCATSDL-UHFFFAOYSA-N 0 0 380.535 3.773 20 10 GHCDRN O=C(NC1CC[NH+](Cc2cccc(F)c2[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC001138130996 1024186069 /nfs/dbraw/zinc/18/60/69/1024186069.db2.gz MZIYQZCWJDETBP-UHFFFAOYSA-N 0 0 396.384 3.945 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2CCO[C@@H](c3nccn3C)C2)c(C)n1-c1ccc(F)cc1 ZINC000837175381 1024190182 /nfs/dbraw/zinc/19/01/82/1024190182.db2.gz BCELVONDXRXHPA-YLJYHZDGSA-N 0 0 396.466 3.617 20 10 GHCDRN O=C(c1ccc(F)c2ccncc12)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000830899494 1024227692 /nfs/dbraw/zinc/22/76/92/1024227692.db2.gz FOCVPNKSMZELHJ-MRXNPFEDSA-N 0 0 380.419 3.901 20 10 GHCDRN O=C(COc1ccc(F)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000830899559 1024228578 /nfs/dbraw/zinc/22/85/78/1024228578.db2.gz HEPIASJZUMCEJF-UHFFFAOYSA-N 0 0 375.355 3.619 20 10 GHCDRN Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)c(O)c1O ZINC000837267466 1024304714 /nfs/dbraw/zinc/30/47/14/1024304714.db2.gz BPDXXWUFIAARHW-CQSZACIVSA-N 0 0 377.238 3.541 20 10 GHCDRN CC[C@@H]1C[C@@H](C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)CCO1 ZINC000837624465 1024594500 /nfs/dbraw/zinc/59/45/00/1024594500.db2.gz OVVWPTKQVMRTTM-DOTOQJQBSA-N 0 0 388.439 3.559 20 10 GHCDRN Cc1cc(C(=O)NO[C@@H](CO)C(C)C)c(C)n1-c1ccc(Br)cc1 ZINC001141345295 1024642146 /nfs/dbraw/zinc/64/21/46/1024642146.db2.gz FPQMGVSDZJDTHE-KRWDZBQOSA-N 0 0 395.297 3.535 20 10 GHCDRN O=C(CCc1cccc(Cl)c1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837703420 1024646947 /nfs/dbraw/zinc/64/69/47/1024646947.db2.gz FBLFVMYCHFNIEQ-UHFFFAOYSA-N 0 0 394.849 3.704 20 10 GHCDRN CC[C@H](OC1CCCCC1)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837707911 1024652051 /nfs/dbraw/zinc/65/20/51/1024652051.db2.gz PERDZRCDUIHDML-IBGZPJMESA-N 0 0 396.478 3.546 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC001141370872 1024750757 /nfs/dbraw/zinc/75/07/57/1024750757.db2.gz ARXUTCHSZMZZEL-CQSZACIVSA-N 0 0 383.673 3.856 20 10 GHCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC000831706774 1024768255 /nfs/dbraw/zinc/76/82/55/1024768255.db2.gz LDNLTPHVELQJEN-QAPCUYQASA-N 0 0 376.460 3.720 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CCC3(CC2)OCCc2ccccc23)cc1F ZINC000838029496 1024891966 /nfs/dbraw/zinc/89/19/66/1024891966.db2.gz PATHCVMAXJGQMF-UHFFFAOYSA-N 0 0 397.494 3.665 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)Cc1cc(Br)cnc1OC ZINC001138523043 1024962039 /nfs/dbraw/zinc/96/20/39/1024962039.db2.gz UOVFFJYANMJAHF-UHFFFAOYSA-N 0 0 378.314 3.941 20 10 GHCDRN Cc1cc(CC(=O)N2CCC(C)(c3nc(C)no3)CC2)c(C)n1-c1ccccc1 ZINC000831936325 1025037962 /nfs/dbraw/zinc/03/79/62/1025037962.db2.gz LLJAHZGMSTZKDT-UHFFFAOYSA-N 0 0 392.503 3.908 20 10 GHCDRN O=C(NCCCSc1nccs1)N1CCOC[C@H]1c1ccc(F)cc1 ZINC000838513905 1025184937 /nfs/dbraw/zinc/18/49/37/1025184937.db2.gz LVILXPBRODUDFP-HNNXBMFYSA-N 0 0 381.498 3.548 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N(C)CC(C)(C)CO)cc2Cl)C1 ZINC000838578860 1025219263 /nfs/dbraw/zinc/21/92/63/1025219263.db2.gz NYFBDLGSGJIUBT-OAHLLOKOSA-N 0 0 381.948 3.736 20 10 GHCDRN CCN1CCN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(C)(C)C1=O ZINC001138698277 1025223589 /nfs/dbraw/zinc/22/35/89/1025223589.db2.gz OFLXHYCGWXQPPE-UHFFFAOYSA-N 0 0 387.911 3.830 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)c1cc[nH]c(=O)c1 ZINC000838617964 1025240630 /nfs/dbraw/zinc/24/06/30/1025240630.db2.gz HVHUWOZYUOMNEA-LLVKDONJSA-N 0 0 394.269 3.548 20 10 GHCDRN O=C(NC[C@@H]1C[C@H]1c1ccccc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000838621391 1025242021 /nfs/dbraw/zinc/24/20/21/1025242021.db2.gz XPYBOUWENQPSRW-ACRUOGEOSA-N 0 0 380.488 3.887 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)c1nccn1CC ZINC000838687233 1025295427 /nfs/dbraw/zinc/29/54/27/1025295427.db2.gz GXSUCFGEPQXMDO-LBPRGKRZSA-N 0 0 395.301 3.664 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)NCCC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000838688525 1025295914 /nfs/dbraw/zinc/29/59/14/1025295914.db2.gz PQWNAGOXSFSIBK-QGZVFWFLSA-N 0 0 391.512 3.713 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000838694230 1025305078 /nfs/dbraw/zinc/30/50/78/1025305078.db2.gz OPBAUXCUUVLKAU-LKFCYVNXSA-N 0 0 380.366 3.866 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1c(F)cccc1-n1cccn1 ZINC000838717201 1025317941 /nfs/dbraw/zinc/31/79/41/1025317941.db2.gz SZETVGLVCPYQGZ-UHFFFAOYSA-N 0 0 395.482 3.809 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2cnn(Cc3ccccc3)c2)C1 ZINC001138766474 1025333518 /nfs/dbraw/zinc/33/35/18/1025333518.db2.gz JSCWXHBJBIWVPF-UHFFFAOYSA-N 0 0 386.499 3.990 20 10 GHCDRN C[C@@H]1c2ccccc2CN1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838738551 1025338519 /nfs/dbraw/zinc/33/85/19/1025338519.db2.gz FCLTYQVKWCYTHY-CQSZACIVSA-N 0 0 387.430 3.588 20 10 GHCDRN C[C@H]1CCC[C@H](N(C)C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000838746070 1025341832 /nfs/dbraw/zinc/34/18/32/1025341832.db2.gz DJAJYIFHIWXKTQ-HOCLYGCPSA-N 0 0 381.467 3.522 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)Nc1cccc(Cl)c1F ZINC000838746930 1025342547 /nfs/dbraw/zinc/34/25/47/1025342547.db2.gz MEWYWOBWFDZXNP-UHFFFAOYSA-N 0 0 399.800 3.916 20 10 GHCDRN C[C@@H](CCCc1cccnc1)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000838750851 1025346950 /nfs/dbraw/zinc/34/69/50/1025346950.db2.gz HGRWRSGZSNBRHC-RXVVDRJESA-N 0 0 397.519 3.889 20 10 GHCDRN C[C@H](NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1)c1ccn(C)n1 ZINC000838774695 1025358380 /nfs/dbraw/zinc/35/83/80/1025358380.db2.gz XDIWKCSPZAZDLK-INIZCTEOSA-N 0 0 381.480 3.552 20 10 GHCDRN Cc1cn2c(n1)CN(Cc1ccc(N3CCCCC3)c(Br)c1)CC2 ZINC000839007827 1025513945 /nfs/dbraw/zinc/51/39/45/1025513945.db2.gz IPMGPFZACGFMIY-UHFFFAOYSA-N 0 0 389.341 3.960 20 10 GHCDRN COc1cc(NCc2ccc(N3CCCCC3)c(Br)c2)nn1C ZINC000839016751 1025519805 /nfs/dbraw/zinc/51/98/05/1025519805.db2.gz CHCAHXXBEDNXGF-UHFFFAOYSA-N 0 0 379.302 3.794 20 10 GHCDRN O[C@@]1(C(F)F)CCN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000839126647 1025619954 /nfs/dbraw/zinc/61/99/54/1025619954.db2.gz JEVWXBIRBHCLDN-KRWDZBQOSA-N 0 0 389.284 3.641 20 10 GHCDRN Fc1cc(CNCc2ncc(C(F)(F)F)s2)cc(F)c1N1CCOCC1 ZINC000839144402 1025640467 /nfs/dbraw/zinc/64/04/67/1025640467.db2.gz HWEHIZBODGLVET-UHFFFAOYSA-N 0 0 393.381 3.567 20 10 GHCDRN C[C@H](NC(=O)Nc1ccc(F)cc1N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000839179879 1025688790 /nfs/dbraw/zinc/68/87/90/1025688790.db2.gz OIGXYKGQYNTLST-HNNXBMFYSA-N 0 0 386.471 3.611 20 10 GHCDRN C[C@H]1CCN(C(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)CC12CCC2 ZINC000839211773 1025727834 /nfs/dbraw/zinc/72/78/34/1025727834.db2.gz KREGEYOEPWKGMJ-KRWDZBQOSA-N 0 0 396.487 3.553 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1 ZINC000839224946 1025740139 /nfs/dbraw/zinc/74/01/39/1025740139.db2.gz JOUUDEYYKWTZDH-KRWDZBQOSA-N 0 0 399.510 3.850 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC(c2ccccc2)CC1 ZINC000839275109 1025771831 /nfs/dbraw/zinc/77/18/31/1025771831.db2.gz LVJHUJRAPMTDHQ-UHFFFAOYSA-N 0 0 380.488 3.537 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1 ZINC001139123462 1025936847 /nfs/dbraw/zinc/93/68/47/1025936847.db2.gz FYFPDTGBTXJADV-NRFANRHFSA-N 0 0 394.487 3.870 20 10 GHCDRN COC(=O)[C@H]1CC[N@H+](Cc2c([O-])ccc3c(C)cc(=O)oc32)[C@H]1c1ccccc1 ZINC001139130110 1025943756 /nfs/dbraw/zinc/94/37/56/1025943756.db2.gz QIYKIVVFBVPZTC-UWJYYQICSA-N 0 0 393.439 3.543 20 10 GHCDRN COc1ccc(O)c([C@H](C)NCc2nc3sc4c(c3c(N)n2)CCCC4)c1 ZINC000839540314 1026030198 /nfs/dbraw/zinc/03/01/98/1026030198.db2.gz SOJPKVYYRSSKRV-NSHDSACASA-N 0 0 384.505 3.717 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000839634322 1026139090 /nfs/dbraw/zinc/13/90/90/1026139090.db2.gz OJJQAMBHQFITRI-ZDUSSCGKSA-N 0 0 391.874 3.539 20 10 GHCDRN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)n1 ZINC001163486785 1026211097 /nfs/dbraw/zinc/21/10/97/1026211097.db2.gz LFKUAGLDHISRKJ-KRWDZBQOSA-N 0 0 399.451 3.710 20 10 GHCDRN CCOc1ccc(N2CCN(Cc3ccc(N4CCCCC4)nc3)CC2)cc1 ZINC001139346438 1026212884 /nfs/dbraw/zinc/21/28/84/1026212884.db2.gz JPFSBKYGGQXKID-UHFFFAOYSA-N 0 0 380.536 3.793 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cnc(-c2cccnc2)s1 ZINC000839918654 1026345778 /nfs/dbraw/zinc/34/57/78/1026345778.db2.gz BWVUEWHMIYBDDB-HNNXBMFYSA-N 0 0 380.517 3.941 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCc1nc(C2CCCC2)no1 ZINC000839920674 1026347449 /nfs/dbraw/zinc/34/74/49/1026347449.db2.gz SDFZDIHAQQWHCT-INIZCTEOSA-N 0 0 384.524 3.782 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H](C)n1ccc2ccccc2c1=O ZINC000839921721 1026348474 /nfs/dbraw/zinc/34/84/74/1026348474.db2.gz MCPWTBASMGLXTE-ROUUACIJSA-N 0 0 391.515 3.684 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@H](c3cc(=O)[nH][nH]3)C2)c(C)n1-c1cccc(Cl)c1 ZINC001164322569 1026484618 /nfs/dbraw/zinc/48/46/18/1026484618.db2.gz PSVZSOAYGXDIPR-AWEZNQCLSA-N 0 0 384.867 3.806 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(C(F)(F)c2ccnc(Cl)n2)C1 ZINC001165094400 1026603090 /nfs/dbraw/zinc/60/30/90/1026603090.db2.gz QUMBBFZEUQECIP-UHFFFAOYSA-N 0 0 378.810 3.738 20 10 GHCDRN CC(=O)N[C@H](CC(=O)NCc1cc(Cl)ccc1O)c1ccc(Cl)cc1 ZINC001165497802 1026746864 /nfs/dbraw/zinc/74/68/64/1026746864.db2.gz IQLHTKYRHPWBQL-MRXNPFEDSA-N 0 0 381.259 3.583 20 10 GHCDRN COc1cccc2c(C(=O)NCc3cccc(Br)c3O)coc21 ZINC001139975270 1026772839 /nfs/dbraw/zinc/77/28/39/1026772839.db2.gz YWVWQJIFVFACHS-UHFFFAOYSA-N 0 0 376.206 3.840 20 10 GHCDRN CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCCN2Cc1c(O)cccc1Br ZINC001140100033 1026878333 /nfs/dbraw/zinc/87/83/33/1026878333.db2.gz BQUXNQVZJYSECI-CABCVRRESA-N 0 0 397.313 3.738 20 10 GHCDRN Cc1cc(C(=O)NCCN2C[C@H](C)OC[C@@H]2C)c(C)n1-c1ccc(Cl)cc1 ZINC001166151332 1026929327 /nfs/dbraw/zinc/92/93/27/1026929327.db2.gz IRNDPVSEBKOWBR-HOTGVXAUSA-N 0 0 389.927 3.587 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001140198379 1026971060 /nfs/dbraw/zinc/97/10/60/1026971060.db2.gz BENIBAAUSUVNLN-HUUCEWRRSA-N 0 0 397.512 3.578 20 10 GHCDRN CN(Cc1cccs1)c1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1 ZINC000834412665 1026977895 /nfs/dbraw/zinc/97/78/95/1026977895.db2.gz NRYGELGUMLUXOZ-AQTBWJFISA-N 0 0 399.541 3.687 20 10 GHCDRN Cc1ccc(S(=O)(=O)N(c2ccc(N)cc2)c2ccc3[nH]cnc3c2)cc1 ZINC001209847588 1027241051 /nfs/dbraw/zinc/24/10/51/1027241051.db2.gz SJKQBASFJQYZLY-UHFFFAOYSA-N 0 0 378.457 3.981 20 10 GHCDRN CCOC(=O)c1cn(C)cc1NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001210144398 1027358400 /nfs/dbraw/zinc/35/84/00/1027358400.db2.gz AISJTMDDJITDMJ-UHFFFAOYSA-N 0 0 386.496 3.710 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@H](CCC(=O)OC(C)(C)C)C2)cc1 ZINC000840245743 1027375735 /nfs/dbraw/zinc/37/57/35/1027375735.db2.gz XXPXVSCLWNQHGO-GOSISDBHSA-N 0 0 389.540 3.796 20 10 GHCDRN CCC(=O)Nc1cccc(CNC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000840249398 1027381015 /nfs/dbraw/zinc/38/10/15/1027381015.db2.gz AJCZYFREPFEDCA-QGZVFWFLSA-N 0 0 396.535 3.840 20 10 GHCDRN Cc1nc(COCc2cnc3n2CCN(Cc2ccccc2O)[C@H]3C)cs1 ZINC001203552984 1027430029 /nfs/dbraw/zinc/43/00/29/1027430029.db2.gz XLJNIMYGHXNFHS-AWEZNQCLSA-N 0 0 384.505 3.647 20 10 GHCDRN Cn1cc([C@@H]2COC3(C2)CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC3)cn1 ZINC001203575185 1027443288 /nfs/dbraw/zinc/44/32/88/1027443288.db2.gz FLFAVFKEVNOJKV-AWEZNQCLSA-N 0 0 396.318 3.971 20 10 GHCDRN O=C(c1ccsc1)N1C[C@H]2C[NH+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]2C1 ZINC001203577248 1027445534 /nfs/dbraw/zinc/44/55/34/1027445534.db2.gz AUXHJWCVCNLYRR-ZIAGYGMSSA-N 0 0 397.327 3.965 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000840356267 1027475886 /nfs/dbraw/zinc/47/58/86/1027475886.db2.gz GHCFPZDPBHIRPG-FXAWDEMLSA-N 0 0 397.567 3.626 20 10 GHCDRN CN(CCN(C)c1ccc(Nc2ccc(N)nc2F)cc1)c1ccc(N)cc1 ZINC001203627057 1027488062 /nfs/dbraw/zinc/48/80/62/1027488062.db2.gz QYNOAHHBVYGFEL-UHFFFAOYSA-N 0 0 380.471 3.701 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001203634020 1027492557 /nfs/dbraw/zinc/49/25/57/1027492557.db2.gz NNAGANMEEHFCOW-PWSUYJOCSA-N 0 0 386.183 3.883 20 10 GHCDRN CCn1cc(CN(Cc2c(C)nn(C)c2C)Cc2cc(Cl)ccc2O)cn1 ZINC001203658336 1027513845 /nfs/dbraw/zinc/51/38/45/1027513845.db2.gz RXUOUVXPWUYAMD-UHFFFAOYSA-N 0 0 387.915 3.815 20 10 GHCDRN Cc1ccc([C@H]2COCCN2C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)o1 ZINC000840478301 1027561976 /nfs/dbraw/zinc/56/19/76/1027561976.db2.gz FUPJCGYXNGXQKF-OXJNMPFZSA-N 0 0 385.508 3.677 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@]2(C1)OCc1ccccc12 ZINC000840481499 1027566227 /nfs/dbraw/zinc/56/62/27/1027566227.db2.gz JPRDNNZZJCTGRQ-MHECFPHRSA-N 0 0 393.531 3.833 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC(C2CCOCC2)CC1 ZINC000840482459 1027567776 /nfs/dbraw/zinc/56/77/76/1027567776.db2.gz XIHDWQWJOJLFHR-GOSISDBHSA-N 0 0 387.568 3.840 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000840484882 1027568965 /nfs/dbraw/zinc/56/89/65/1027568965.db2.gz QJBHAHPCZGMSFW-LAUBAEHRSA-N 0 0 383.540 3.662 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC(C)(C)[C@@H]1c1nccn1C ZINC000840484554 1027569293 /nfs/dbraw/zinc/56/92/93/1027569293.db2.gz PPSAGBLVKSKMLR-APWZRJJASA-N 0 0 383.540 3.518 20 10 GHCDRN Cc1noc([C@H]2CCCCN2C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000840485573 1027570468 /nfs/dbraw/zinc/57/04/68/1027570468.db2.gz UVLHPLMSPYTGEC-DNVCBOLYSA-N 0 0 385.512 3.620 20 10 GHCDRN COC(=O)Cc1ccc(NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)cc1 ZINC000840486969 1027572034 /nfs/dbraw/zinc/57/20/34/1027572034.db2.gz DNTBLFQTRDNHMK-MRXNPFEDSA-N 0 0 383.492 3.529 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O ZINC000840558501 1027614552 /nfs/dbraw/zinc/61/45/52/1027614552.db2.gz YTGDEOMYBKUTRD-GFCCVEGCSA-N 0 0 381.398 3.541 20 10 GHCDRN CCc1[nH]nc2ncc(Nc3cc4c(cc3O)C(=O)c3ccccc3C4=O)cc21 ZINC001210885758 1027692571 /nfs/dbraw/zinc/69/25/71/1027692571.db2.gz ROHVCEPMOMNEQE-UHFFFAOYSA-N 0 0 384.395 3.745 20 10 GHCDRN CCN(CC)c1ccc(CN2CCO[C@@H](c3ccccc3)[C@@H]2C(=O)OC)cc1 ZINC001203945429 1027739632 /nfs/dbraw/zinc/73/96/32/1027739632.db2.gz LQCGYBMNDAOECW-YADHBBJMSA-N 0 0 382.504 3.648 20 10 GHCDRN O=C1NC(=S)S/C1=C\c1ccc(N2CCCCC2)c(Br)c1 ZINC000840713335 1027752028 /nfs/dbraw/zinc/75/20/28/1027752028.db2.gz RKTHFPZSKBOBNL-LCYFTJDESA-N 0 0 383.336 3.928 20 10 GHCDRN CCOC(=O)c1ccc2c(c1)nc(/C(Cl)=C/c1c(C)nnn1CC)n2CC ZINC000840720796 1027759597 /nfs/dbraw/zinc/75/95/97/1027759597.db2.gz SDEHZYPDJWHYDH-KAMYIIQDSA-N 0 0 387.871 3.890 20 10 GHCDRN Oc1c(Br)cc(Br)cc1CNc1cnc2ccnn2c1 ZINC001204027386 1027820707 /nfs/dbraw/zinc/82/07/07/1027820707.db2.gz GXQLXCWCSMRGCN-UHFFFAOYSA-N 0 0 398.058 3.572 20 10 GHCDRN CC[C@@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000840888948 1027925524 /nfs/dbraw/zinc/92/55/24/1027925524.db2.gz CDPFGWXIGUYWKG-CQSZACIVSA-N 0 0 380.337 3.955 20 10 GHCDRN COc1cc(OCC[NH+](C)C)ccc1NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000840958478 1027987459 /nfs/dbraw/zinc/98/74/59/1027987459.db2.gz LJTZSDJWFLDFCE-UHFFFAOYSA-N 0 0 395.843 3.515 20 10 GHCDRN Nc1ccc(NC(=O)C(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000841128164 1028186511 /nfs/dbraw/zinc/18/65/11/1028186511.db2.gz QXJWXULKTXOWJO-AWEZNQCLSA-N 0 0 391.393 3.632 20 10 GHCDRN Nc1ccc(N(Cc2ccccc2)C2=CCN(C(=O)C(F)(F)F)CC2)cc1 ZINC001213744357 1028360602 /nfs/dbraw/zinc/36/06/02/1028360602.db2.gz RDQPYWGZKTVIMY-UHFFFAOYSA-N 0 0 375.394 3.954 20 10 GHCDRN COCCN(Cc1cc(Br)cs1)C(=O)Nc1ccc(N)cc1 ZINC000841296391 1028387466 /nfs/dbraw/zinc/38/74/66/1028387466.db2.gz DLZHRXVZBLVNAW-UHFFFAOYSA-N 0 0 384.299 3.773 20 10 GHCDRN Nc1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000841298736 1028392190 /nfs/dbraw/zinc/39/21/90/1028392190.db2.gz CYLYVAMMORXFHZ-OAHLLOKOSA-N 0 0 376.407 3.661 20 10 GHCDRN Nc1ccc(NC(=O)N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000841301844 1028393396 /nfs/dbraw/zinc/39/33/96/1028393396.db2.gz FSMBHHSCWZTZJS-UHFFFAOYSA-N 0 0 394.397 3.517 20 10 GHCDRN Cc1cc(OCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1Cl ZINC000301993708 1028450341 /nfs/dbraw/zinc/45/03/41/1028450341.db2.gz CUHHYNWZXFGDSE-SFHVURJKSA-N 0 0 389.879 3.941 20 10 GHCDRN COc1cc(F)c(NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cc1OC ZINC000841623369 1028783166 /nfs/dbraw/zinc/78/31/66/1028783166.db2.gz INXRDJOWAYHIID-AWEZNQCLSA-N 0 0 389.471 3.970 20 10 GHCDRN COc1cc(F)c(NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)cc1OC ZINC000841623373 1028783622 /nfs/dbraw/zinc/78/36/22/1028783622.db2.gz INXRDJOWAYHIID-CQSZACIVSA-N 0 0 389.471 3.970 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nc2ccccc2c(=O)[nH]1 ZINC001142381982 1028791668 /nfs/dbraw/zinc/79/16/68/1028791668.db2.gz GFNCFLKHZJUIHT-UHFFFAOYSA-N 0 0 396.516 3.542 20 10 GHCDRN Cc1nc(-c2ccc(CCNC(=O)NCCc3ccc(N)cc3)s2)cs1 ZINC000841669520 1028815018 /nfs/dbraw/zinc/81/50/18/1028815018.db2.gz MSILXCJKPBQBAZ-UHFFFAOYSA-N 0 0 386.546 3.847 20 10 GHCDRN CNC(=O)Oc1cccc(OC(=O)Cc2cc(C)n(-c3ccccc3)c2C)c1 ZINC001461439605 1069550398 /nfs/dbraw/zinc/55/03/98/1069550398.db2.gz PBVBMZHIKVLLQP-UHFFFAOYSA-N 0 0 378.428 3.960 20 10 GHCDRN C[C@@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1ccc(Cl)cc1[O-] ZINC000841758952 1028916863 /nfs/dbraw/zinc/91/68/63/1028916863.db2.gz WHKMPCBPLOXIFA-LLVKDONJSA-N 0 0 382.291 3.983 20 10 GHCDRN Nc1ccc(CCNC(=O)NCC2(c3ccccc3Cl)CCOCC2)cc1 ZINC000841791776 1028938719 /nfs/dbraw/zinc/93/87/19/1028938719.db2.gz GTBAXAMTXPSESQ-UHFFFAOYSA-N 0 0 387.911 3.512 20 10 GHCDRN C[C@@H](Cc1cc(Br)ccc1F)NC(=O)NCCc1ccc(N)cc1 ZINC000841863784 1028980897 /nfs/dbraw/zinc/98/08/97/1028980897.db2.gz FHIWDLRSWPUJHN-LBPRGKRZSA-N 0 0 394.288 3.643 20 10 GHCDRN Nc1ccc(CCNC(=O)N[C@@H]2CCOc3c(Cl)c(Cl)ccc32)cc1 ZINC000841889716 1028988539 /nfs/dbraw/zinc/98/85/39/1028988539.db2.gz UTUYQMCVOLVRPQ-OAHLLOKOSA-N 0 0 380.275 3.941 20 10 GHCDRN Oc1cc(F)c(F)cc1CN1CCc2c(COCc3ccccn3)cncc2C1 ZINC001142517466 1029022130 /nfs/dbraw/zinc/02/21/30/1029022130.db2.gz OINQHMMURDJBQJ-UHFFFAOYSA-N 0 0 397.425 3.736 20 10 GHCDRN COc1cc(CO)ccc1C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC001142528005 1029030930 /nfs/dbraw/zinc/03/09/30/1029030930.db2.gz DQPJERXELRETDA-UHFFFAOYSA-N 0 0 382.504 3.886 20 10 GHCDRN Cc1cc(C(=O)CSCc2nc(C)cc(=O)[nH]2)c(C)n1-c1ccc(F)cn1 ZINC000842174943 1029123950 /nfs/dbraw/zinc/12/39/50/1029123950.db2.gz KJTNQPLUVURUFG-UHFFFAOYSA-N 0 0 386.452 3.548 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)C(=O)c3cc(Cl)cc(Cl)c3)C2)cc1 ZINC001461496829 1069578144 /nfs/dbraw/zinc/57/81/44/1069578144.db2.gz QWAHVWAVWXMZTK-HNNXBMFYSA-N 0 0 393.270 3.580 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)Nc1cc(F)cc(Cl)c1 ZINC001215719660 1029368102 /nfs/dbraw/zinc/36/81/02/1029368102.db2.gz PZTAMDOGAWMSGO-UHFFFAOYSA-N 0 0 399.800 3.916 20 10 GHCDRN COC(=O)c1cc(Nc2c(N)ccc3c2C(=O)c2ccccc2C3=O)ccc1F ZINC001215855544 1029426243 /nfs/dbraw/zinc/42/62/43/1029426243.db2.gz YAXKPPBVYWGXOO-UHFFFAOYSA-N 0 0 390.370 3.714 20 10 GHCDRN CC(C)(C)OC(=O)CC[C@@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001142828021 1029540095 /nfs/dbraw/zinc/54/00/95/1029540095.db2.gz BJNYTWWLCHSGND-INIZCTEOSA-N 0 0 388.468 3.966 20 10 GHCDRN CCOCC(=O)Nc1cc(N)ccc1/N=N/c1ccc(Br)cn1 ZINC001142829351 1029542764 /nfs/dbraw/zinc/54/27/64/1029542764.db2.gz XWVVLAJZUAOPBA-QZQOTICOSA-N 0 0 378.230 3.817 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)CCc3ncc(C(C)(C)C)o3)C2)cc1 ZINC000842876540 1029653542 /nfs/dbraw/zinc/65/35/42/1029653542.db2.gz VEMZIOAMQIVNBI-MRXNPFEDSA-N 0 0 386.492 3.983 20 10 GHCDRN C[C@H]([NH2+]CC(C)(C)[C@]1(O)CCOC1)c1cc(Br)cc(Cl)c1[O-] ZINC000842919091 1029684579 /nfs/dbraw/zinc/68/45/79/1029684579.db2.gz JIZXPPOZUGAFDJ-QFYYESIMSA-N 0 0 392.721 3.636 20 10 GHCDRN C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1cc(Br)cc(Br)c1[O-] ZINC000842927222 1029693011 /nfs/dbraw/zinc/69/30/11/1029693011.db2.gz DFFFXBWIELZHQF-KHQFGBGNSA-N 0 0 379.092 3.745 20 10 GHCDRN O=C(c1ccccn1)c1cc(Cl)ccc1Nc1cncc(N2CCOCC2)c1 ZINC001216634483 1029711481 /nfs/dbraw/zinc/71/14/81/1029711481.db2.gz NNWLAFIWLORFMG-UHFFFAOYSA-N 0 0 394.862 3.941 20 10 GHCDRN C[C@@H]1OCC[C@@H]1c1nnc(N(C)Cc2ccccc2O)n1CCc1ccccc1 ZINC000842982179 1029730936 /nfs/dbraw/zinc/73/09/36/1029730936.db2.gz WQXOPFXFKGRDQT-PXNSSMCTSA-N 0 0 392.503 3.755 20 10 GHCDRN C[C@@H]1OCC[C@@H]1c1nnc(N(C)Cc2ccccc2O)n1Cc1cccs1 ZINC000843037384 1029778076 /nfs/dbraw/zinc/77/80/76/1029778076.db2.gz VZEMSRKUTONXCZ-YOEHRIQHSA-N 0 0 384.505 3.622 20 10 GHCDRN Cc1cccc(NC(=O)N2CCC[C@@H](c3nc(Cc4ccc(N)cc4)no3)C2)c1 ZINC000843161887 1029835915 /nfs/dbraw/zinc/83/59/15/1029835915.db2.gz QQRGLVFMZAXOON-QGZVFWFLSA-N 0 0 391.475 3.963 20 10 GHCDRN CO[C@H](C(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1 ZINC001143106186 1029843992 /nfs/dbraw/zinc/84/39/92/1029843992.db2.gz JKZSEZFORAMTTQ-SFHVURJKSA-N 0 0 394.393 3.622 20 10 GHCDRN COc1cccc(C(=O)N2CCN(Cc3cccc(C(C)(C)C)c3O)CC2)c1 ZINC001143116460 1029853037 /nfs/dbraw/zinc/85/30/37/1029853037.db2.gz CDLCYPACPPREMH-UHFFFAOYSA-N 0 0 382.504 3.656 20 10 GHCDRN Cc1cc(C(=O)NC[C@H]2CSc3ccccc3O2)c(C)n1-c1ccccn1 ZINC001143234838 1029933195 /nfs/dbraw/zinc/93/31/95/1029933195.db2.gz WEISLOOVOQYWAW-INIZCTEOSA-N 0 0 379.485 3.772 20 10 GHCDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001216794692 1029939234 /nfs/dbraw/zinc/93/92/34/1029939234.db2.gz FHQMDKXSGJFWJZ-CQSZACIVSA-N 0 0 386.452 3.731 20 10 GHCDRN Cc1cc(Br)cc(CNc2cnn(CC(=O)OC(C)(C)C)c2)c1O ZINC000843412292 1029985878 /nfs/dbraw/zinc/98/58/78/1029985878.db2.gz OVSCNHQJJHFWCE-UHFFFAOYSA-N 0 0 396.285 3.613 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCCn1cnc2ccccc21 ZINC001222296853 1030056778 /nfs/dbraw/zinc/05/67/78/1030056778.db2.gz YKOQQCBBCCGEOE-SFHVURJKSA-N 0 0 393.535 3.731 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCC(C)(C)n2ccnc2)ccc1C ZINC001149212999 1030095175 /nfs/dbraw/zinc/09/51/75/1030095175.db2.gz HRKVPZRJIIYIJA-UHFFFAOYSA-N 0 0 378.476 3.577 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3cnc4ccccn4c3=O)n2)cc1 ZINC001217178070 1030215546 /nfs/dbraw/zinc/21/55/46/1030215546.db2.gz QQKIQLBWBCULMS-UHFFFAOYSA-N 0 0 383.411 3.819 20 10 GHCDRN CC(C)[C@@H]1C[C@H]1CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001222591448 1030218969 /nfs/dbraw/zinc/21/89/69/1030218969.db2.gz YEANAPLMMCXACA-MPGHIAIKSA-N 0 0 381.467 3.848 20 10 GHCDRN O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001150260416 1030467937 /nfs/dbraw/zinc/46/79/37/1030467937.db2.gz CEOLCEUTAUQZAL-ZDUSSCGKSA-N 0 0 382.243 3.627 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1 ZINC001150543843 1030563410 /nfs/dbraw/zinc/56/34/10/1030563410.db2.gz VNAJOEHTJRKSJI-GUYCJALGSA-N 0 0 394.512 3.908 20 10 GHCDRN C[C@H]1C[NH2+]CCC[C@H]1Oc1c(O)c([O-])cc2oc(-c3ccccc3)cc(=O)c21 ZINC001217988553 1030708592 /nfs/dbraw/zinc/70/85/92/1030708592.db2.gz OMZRUSNIYMXUQS-SUMWQHHRSA-N 0 0 381.428 3.638 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1ccc2oc(=O)n(C)c2c1 ZINC001151023622 1030747286 /nfs/dbraw/zinc/74/72/86/1030747286.db2.gz HUAGIXRKYTXUFE-UHFFFAOYSA-N 0 0 389.455 3.777 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N[C@@]3(C)CC=CCC3)cc2F)C[C@@H](C)O1 ZINC001223897403 1030799117 /nfs/dbraw/zinc/79/91/17/1030799117.db2.gz RCBIFKNWJDJETM-ZOCZFRKYSA-N 0 0 375.488 3.737 20 10 GHCDRN COC(=O)[C@@H]1C[C@@H](Oc2ccc3ccccc3c2/N=N/c2ccccn2)CN1 ZINC001218172830 1030806175 /nfs/dbraw/zinc/80/61/75/1030806175.db2.gz PJQIUYNFOGDJBH-FRGGTQKRSA-N 0 0 376.416 3.933 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O[C@H]2CCNC(=O)C2)c1 ZINC001218210275 1030832501 /nfs/dbraw/zinc/83/25/01/1030832501.db2.gz XRTNOZLVHYLYLH-RKVPGOIHSA-N 0 0 399.487 3.518 20 10 GHCDRN C[C@@H]1[NH2+]C[C@H]1Oc1cc2c(-c3ccccc3)c3cc(O)c([O-])cc3oc-2cc1=O ZINC001218386472 1030915648 /nfs/dbraw/zinc/91/56/48/1030915648.db2.gz NFHDFRCOAFMEBV-AMXDTQDGSA-N 0 0 389.407 3.715 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](C)C(=O)Cc2ccccc2)c1 ZINC001151495309 1030926020 /nfs/dbraw/zinc/92/60/20/1030926020.db2.gz NYKAIVQQEAAFCO-QGZVFWFLSA-N 0 0 388.467 3.837 20 10 GHCDRN Cc1cc(C)c(CNC(=O)c2ccc3c(cnn3[C@@H]3CCCCO3)c2)c(O)c1 ZINC001151586990 1030951436 /nfs/dbraw/zinc/95/14/36/1030951436.db2.gz KKHCYLTZWGLYRF-NRFANRHFSA-N 0 0 379.460 3.988 20 10 GHCDRN O=C(COc1ccc2c(c1)CCCC2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001151903441 1031046045 /nfs/dbraw/zinc/04/60/45/1031046045.db2.gz LMKVOYCPGUKAPR-JOCHJYFZSA-N 0 0 395.499 3.858 20 10 GHCDRN CCOC(=O)c1ccc(NC(=O)Cc2ccc(N)cc2)c(OC(F)(F)F)c1 ZINC001218908443 1031146577 /nfs/dbraw/zinc/14/65/77/1031146577.db2.gz XHCDFVIEHBXJEX-UHFFFAOYSA-N 0 0 382.338 3.525 20 10 GHCDRN Cc1nc(-c2ccc(NC(=O)c3ccc(N=NC(N)=O)cc3)cc2Cl)n[nH]1 ZINC001152464687 1031251481 /nfs/dbraw/zinc/25/14/81/1031251481.db2.gz UGLSCLOZKFHNGY-UHFFFAOYSA-N 0 0 383.799 3.848 20 10 GHCDRN COC1(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CCCCCC1 ZINC001225151002 1031280064 /nfs/dbraw/zinc/28/00/64/1031280064.db2.gz RUNNTNLZBPSAND-SFHVURJKSA-N 0 0 389.540 3.623 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cnn([C@@H](C)c2ccccc2)c1 ZINC001219231119 1031316503 /nfs/dbraw/zinc/31/65/03/1031316503.db2.gz GJZIHOLCPCXCND-CABCVRRESA-N 0 0 380.448 3.656 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cncc(C(=O)OC(C)(C)C)c1 ZINC001219275309 1031336838 /nfs/dbraw/zinc/33/68/38/1031336838.db2.gz DLEAEZDSGYBTEI-UHFFFAOYSA-N 0 0 384.480 3.733 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)c1cc2c(ncnc2Cl)n1C ZINC001152929535 1031399152 /nfs/dbraw/zinc/39/91/52/1031399152.db2.gz RCLDTXKJUOFDQH-KRWDZBQOSA-N 0 0 398.894 3.998 20 10 GHCDRN Cc1cc(CNC(=O)Nc2cc(C)nnc2N(C)C)c(C)n1-c1cccc(C)c1 ZINC001219460611 1031432928 /nfs/dbraw/zinc/43/29/28/1031432928.db2.gz XLQVLPUMZZDVJN-UHFFFAOYSA-N 0 0 392.507 3.889 20 10 GHCDRN CC[C@@H](C)Oc1cccc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC001219862843 1031662056 /nfs/dbraw/zinc/66/20/56/1031662056.db2.gz VDLULBYTDAESIF-HZPDHXFCSA-N 0 0 384.480 3.668 20 10 GHCDRN CN1CCN(c2ccc(CNc3cccc4c3OC(C)(C)C[C@H]4O)cc2F)CC1 ZINC001461791991 1069750124 /nfs/dbraw/zinc/75/01/24/1069750124.db2.gz GANIWMQGZSXTQR-OAQYLSRUSA-N 0 0 399.510 3.784 20 10 GHCDRN CC[C@@H](Cc1ccccc1Br)C(=O)NCc1cc(O)ccc1O ZINC001153885918 1031792122 /nfs/dbraw/zinc/79/21/22/1031792122.db2.gz SEWCLKDLZRUVGI-LBPRGKRZSA-N 0 0 378.266 3.745 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(=O)c2cc(Cl)ccc2[nH]1 ZINC001153903901 1031802948 /nfs/dbraw/zinc/80/29/48/1031802948.db2.gz OKWJGKYRMJOGCW-UHFFFAOYSA-N 0 0 383.879 3.910 20 10 GHCDRN Oc1c(O)c(O)c(O[C@H]2CCN(c3ccccc3)c3ccccc32)c(O)c1O ZINC001226468992 1031969394 /nfs/dbraw/zinc/96/93/94/1031969394.db2.gz QLNLSKDFBOYEER-HNNXBMFYSA-N 0 0 381.384 3.877 20 10 GHCDRN COC(=O)c1cc(Cl)nc(C(F)(F)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC001156920375 1033319275 /nfs/dbraw/zinc/31/92/75/1033319275.db2.gz BBYYMZVVRHRBGR-UHFFFAOYSA-N 0 0 383.826 3.769 20 10 GHCDRN CCOC(=O)[C@H]1CC[C@@H](Oc2c(OC)ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001229241589 1033362238 /nfs/dbraw/zinc/36/22/38/1033362238.db2.gz AQKIAIFFBDVXCF-UONOGXRCSA-N 0 0 394.423 3.581 20 10 GHCDRN C[C@H](CC(=O)NCc1c(O)ccc2ccccc21)n1cc(Br)cn1 ZINC001157051067 1033388617 /nfs/dbraw/zinc/38/86/17/1033388617.db2.gz PNDUEIOZCLZFHD-GFCCVEGCSA-N 0 0 388.265 3.772 20 10 GHCDRN CN(Cc1ccc(S(N)(=O)=O)s1)c1ccc(OCc2ccccc2)cc1 ZINC001205426846 1033407616 /nfs/dbraw/zinc/40/76/16/1033407616.db2.gz OWCPARZRYIVEQH-UHFFFAOYSA-N 0 0 388.514 3.611 20 10 GHCDRN C[N@@H+]1CCC[C@H](OC2=CC(=O)C=CC2=NNc2ccc(S(=O)(=O)[O-])cc2)C1 ZINC001229414208 1033469480 /nfs/dbraw/zinc/46/94/80/1033469480.db2.gz JWXFMCZNWUUXIQ-CVTQAYBASA-N 0 0 391.449 3.527 20 10 GHCDRN CCOC(=O)[C@H](C)NC(=O)c1ccc(NCc2cc(C(C)C)ccc2O)cc1 ZINC001205573987 1033474852 /nfs/dbraw/zinc/47/48/52/1033474852.db2.gz AUWQFYFIIOGCFA-HNNXBMFYSA-N 0 0 384.476 3.809 20 10 GHCDRN O=C1N(CC(F)F)CC[C@@]12CCC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])CC2 ZINC001277387647 1033483509 /nfs/dbraw/zinc/48/35/09/1033483509.db2.gz NIXBBFDWYMIOTR-SFHVURJKSA-N 0 0 390.833 3.654 20 10 GHCDRN COc1cc(I)ccc1NCc1cc(F)c(F)cc1O ZINC001205973796 1033661912 /nfs/dbraw/zinc/66/19/12/1033661912.db2.gz GRNCJAHIGMTIRK-UHFFFAOYSA-N 0 0 391.155 3.896 20 10 GHCDRN CC[C@@H](Oc1c(O)c(O)ccc1C(=O)c1cc(O)c(O)c(O)c1)C(C)(C)C ZINC001229785093 1033711750 /nfs/dbraw/zinc/71/17/50/1033711750.db2.gz DFEXEVONEXGPJL-OAHLLOKOSA-N 0 0 376.405 3.649 20 10 GHCDRN CCCC[C@@H](CC)Oc1c(O)c(O)ccc1C(=O)c1cc(O)c(O)c(O)c1 ZINC001229785251 1033711942 /nfs/dbraw/zinc/71/19/42/1033711942.db2.gz GFTWCHNXGFVPKV-GFCCVEGCSA-N 0 0 376.405 3.793 20 10 GHCDRN CC(C)C(Oc1c(O)c(O)ccc1C(=O)c1cc(O)c(O)c(O)c1)C(C)C ZINC001229786675 1033713125 /nfs/dbraw/zinc/71/31/25/1033713125.db2.gz PEMKBNHERACBHT-UHFFFAOYSA-N 0 0 376.405 3.505 20 10 GHCDRN COC(=O)c1ccc2ncnc(NCc3cc(Cl)c4cccnc4c3O)c2c1 ZINC001157724018 1033740599 /nfs/dbraw/zinc/74/05/99/1033740599.db2.gz JPESYZKRJFRSJR-UHFFFAOYSA-N 0 0 394.818 3.936 20 10 GHCDRN O=C(c1ccnc(NCc2cc(Cl)c3cccnc3c2O)c1)N1CCCC1 ZINC001157726035 1033741837 /nfs/dbraw/zinc/74/18/37/1033741837.db2.gz AWZDHYSDCFUDCE-UHFFFAOYSA-N 0 0 382.851 3.837 20 10 GHCDRN COC(=O)c1c(CN2C[C@@H](C(C)C)Cc3cc(OC)ccc32)snc1OC ZINC001206358432 1033811167 /nfs/dbraw/zinc/81/11/67/1033811167.db2.gz PBVYYUWCBARNSS-AWEZNQCLSA-N 0 0 390.505 3.782 20 10 GHCDRN COC(=O)c1c(CN2C[C@H](C(C)C)Cc3cc(OC)ccc32)snc1OC ZINC001206358433 1033811430 /nfs/dbraw/zinc/81/14/30/1033811430.db2.gz PBVYYUWCBARNSS-CQSZACIVSA-N 0 0 390.505 3.782 20 10 GHCDRN Cc1cc(O)c(CN(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)c(Cl)c1 ZINC001461876230 1069823338 /nfs/dbraw/zinc/82/33/38/1069823338.db2.gz WTFDIYWRLLMMEF-OAHLLOKOSA-N 0 0 386.300 3.968 20 10 GHCDRN COc1ccc(N2CCN(C(=O)N[C@@H](C)[C@@H]3CCC[C@H](C)C3)CC2)c(OC)c1 ZINC001230138486 1033917474 /nfs/dbraw/zinc/91/74/74/1033917474.db2.gz DBLNYZOUJUGXCP-OKZBNKHCSA-N 0 0 389.540 3.750 20 10 GHCDRN C[C@H](C[NH+](C)C)Oc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)C[C@H](C)C3 ZINC001230173906 1033930963 /nfs/dbraw/zinc/93/09/63/1033930963.db2.gz IPPIGVGSCJFEJP-ZIAGYGMSSA-N 0 0 391.467 3.556 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H](C(C)C)[C@@H](CO)C(C)C ZINC001230194681 1033939541 /nfs/dbraw/zinc/93/95/41/1033939541.db2.gz DRFMBZJYOQFVPI-YYWHXJBOSA-N 0 0 377.573 3.580 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCOc2cccc(F)c2C1 ZINC001230196303 1033940638 /nfs/dbraw/zinc/94/06/38/1033940638.db2.gz XXJZEDXRQGYOFF-MRXNPFEDSA-N 0 0 385.483 3.735 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](CC(C)C)C(=O)OC(C)(C)C)c1 ZINC001230284284 1033977585 /nfs/dbraw/zinc/97/75/85/1033977585.db2.gz YYELRLIDEALYFV-LSDHHAIUSA-N 0 0 394.512 3.765 20 10 GHCDRN Cc1cc(CNC(=O)N[C@@H]2CCN(c3ccccn3)C2)c(C)n1-c1ccccc1 ZINC001230554106 1034118739 /nfs/dbraw/zinc/11/87/39/1034118739.db2.gz NLJLZTNRDAZAFN-HXUWFJFHSA-N 0 0 389.503 3.567 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)NC[C@H](Nc3ccccc3)C(C)C)C2)cc1 ZINC001230857771 1034253764 /nfs/dbraw/zinc/25/37/64/1034253764.db2.gz 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GHCDRN COCCC1(CNC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CCCC1 ZINC001312214437 1052640667 /nfs/dbraw/zinc/64/06/67/1052640667.db2.gz XIMWDZXNCWWUMU-GOSISDBHSA-N 0 0 375.557 3.888 20 10 GHCDRN C[C@H](NC(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1ccc([S@](C)=O)cc1 ZINC001312440221 1052743889 /nfs/dbraw/zinc/74/38/89/1052743889.db2.gz LRTLCDPCBIGZME-HPGBDJQBSA-N 0 0 399.560 3.927 20 10 GHCDRN Cc1c(CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)cccc1[N+](=O)[O-] ZINC001312493979 1052765623 /nfs/dbraw/zinc/76/56/23/1052765623.db2.gz XUAAVKZBSRMSQN-UHFFFAOYSA-N 0 0 382.464 3.845 20 10 GHCDRN CC[N@@H+]1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)[C@H](C)C1 ZINC001312590461 1052802613 /nfs/dbraw/zinc/80/26/13/1052802613.db2.gz MABXSDZAAFKXHC-IAGOWNOFSA-N 0 0 392.975 3.812 20 10 GHCDRN CC[N@@H+]1CCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)[C@H](C)C1 ZINC001312590460 1052802784 /nfs/dbraw/zinc/80/27/84/1052802784.db2.gz MABXSDZAAFKXHC-DLBZAZTESA-N 0 0 392.975 3.812 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@H](Oc2ccc(F)cc2)C1 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397.519 3.982 20 10 GHCDRN CC(=O)c1cc(F)cc(CN2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c1O ZINC000766267163 866386979 /nfs/dbraw/zinc/38/69/79/866386979.db2.gz QEQMSYOFNQCJHO-SFHVURJKSA-N 0 0 395.377 3.909 20 10 GHCDRN COc1ccc2c(c1)CCCCN2Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000766268745 866397740 /nfs/dbraw/zinc/39/77/40/866397740.db2.gz FNWWNWOFAUZKRT-UHFFFAOYSA-N 0 0 380.404 3.996 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000741426256 866526204 /nfs/dbraw/zinc/52/62/04/866526204.db2.gz QTGYBXHIHUEMKR-HBMCJLEFSA-N 0 0 397.519 3.871 20 10 GHCDRN C[C@H](NC(=S)N[C@@H]1CCOc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000741489003 866564386 /nfs/dbraw/zinc/56/43/86/866564386.db2.gz IMTALOZJPZBQOZ-OXJNMPFZSA-N 0 0 397.544 3.572 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)c2cc(N3CCCC3=O)ccc2F)C2CC2)cc1 ZINC000741534240 866581034 /nfs/dbraw/zinc/58/10/34/866581034.db2.gz YVMIVCLDHFVLIL-UHFFFAOYSA-N 0 0 395.478 3.823 20 10 GHCDRN CCN(CC)c1ccc(CN(C)CC(=O)Nc2cccc(NC(C)=O)c2)cc1 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CC/C=C(\C)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000742751532 867548643 /nfs/dbraw/zinc/54/86/43/867548643.db2.gz VBDLWYVQZLZQEP-IKFRKZOMSA-N 0 0 375.513 3.791 20 10 GHCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(C2CC2)on1 ZINC000742800358 867563400 /nfs/dbraw/zinc/56/34/00/867563400.db2.gz QPKQRCNWFFIGJL-ZDUSSCGKSA-N 0 0 377.391 3.552 20 10 GHCDRN CCNC(=O)N(C)c1cccc(NCc2cc(Br)ccc2O)c1 ZINC000793317638 882096525 /nfs/dbraw/zinc/09/65/25/882096525.db2.gz MANVHTRXZQIMDP-UHFFFAOYSA-N 0 0 378.270 3.933 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)N(C)C2CC2)cc1 ZINC000920495647 882133482 /nfs/dbraw/zinc/13/34/82/882133482.db2.gz VUQUHEMZOTXEMX-UHFFFAOYSA-N 0 0 380.448 3.946 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(N3CCOC3=O)ccc2C)c1 ZINC000743240951 868003227 /nfs/dbraw/zinc/00/32/27/868003227.db2.gz HCDIFPYTAJJUQJ-CYBMUJFWSA-N 0 0 385.420 3.549 20 10 GHCDRN O=C(c1ccnc(N2CCCCC2)n1)N(Cc1ccco1)Cc1ccccc1O ZINC000743428968 868177838 /nfs/dbraw/zinc/17/78/38/868177838.db2.gz 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ZINC000743717423 868381395 /nfs/dbraw/zinc/38/13/95/868381395.db2.gz MNXYZMSCEWEWKN-UHFFFAOYSA-N 0 0 381.472 3.949 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cccc(OCC(F)(F)F)n1 ZINC000743718923 868383627 /nfs/dbraw/zinc/38/36/27/868383627.db2.gz OLYOIAFZLKQXQR-UHFFFAOYSA-N 0 0 380.366 3.537 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)Oc1ccc(O[C@@H](C)C(N)=O)cc1 ZINC000744210390 868666008 /nfs/dbraw/zinc/66/60/08/868666008.db2.gz HRHOLSQEGFYUSQ-AWEZNQCLSA-N 0 0 384.457 3.627 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H](C)O[C@@](C)(C(F)F)C3)ccc21 ZINC000621129036 868742752 /nfs/dbraw/zinc/74/27/52/868742752.db2.gz FECVLFPSFQVAGR-YEJXKQKISA-N 0 0 394.462 3.789 20 10 GHCDRN CCOC(=O)CN(C(=O)/C=C/c1cnc(C(C)(C)C)s1)c1ccc(F)cn1 ZINC000744369530 868769348 /nfs/dbraw/zinc/76/93/48/868769348.db2.gz XJXMMKNMJXURSS-VQHVLOKHSA-N 0 0 391.468 3.584 20 10 GHCDRN CCC(C)(C)C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000744929137 869161980 /nfs/dbraw/zinc/16/19/80/869161980.db2.gz 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ZINC000745818199 869837081 /nfs/dbraw/zinc/83/70/81/869837081.db2.gz IJLKYGCQVCLSAP-UHFFFAOYSA-N 0 0 382.508 3.701 20 10 GHCDRN COc1cccc(CNC(=O)NCc2ccnc(OC3CCC(C)CC3)c2)c1O ZINC000745821755 869846174 /nfs/dbraw/zinc/84/61/74/869846174.db2.gz UHNBIDBGZMPQPU-UHFFFAOYSA-N 0 0 399.491 3.753 20 10 GHCDRN Cc1ccc(O[C@H](C)CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000745888789 869866039 /nfs/dbraw/zinc/86/60/39/869866039.db2.gz SUWXWWHNNWFZGP-NQIIRXRSSA-N 0 0 398.503 3.859 20 10 GHCDRN CC(C)OCCCN(C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000745903034 869882647 /nfs/dbraw/zinc/88/26/47/869882647.db2.gz BEAWZDYRBNBIQG-INIZCTEOSA-N 0 0 399.482 3.713 20 10 GHCDRN COc1ccc(N(C)CC(=O)N(Cc2ccco2)c2ccccc2)cc1OC ZINC000920781164 882349519 /nfs/dbraw/zinc/34/95/19/882349519.db2.gz JXCSVKSVNJBQJB-UHFFFAOYSA-N 0 0 380.444 3.966 20 10 GHCDRN COC[C@@H](OC)C(=O)Nc1sc(C)c(-c2ccccc2)c1C(=O)OC(C)C ZINC000857574304 882351656 /nfs/dbraw/zinc/35/16/56/882351656.db2.gz IKFDWJGJXORDGS-OAHLLOKOSA-N 0 0 391.489 3.889 20 10 GHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ncoc2-c2ccon2)cc1 ZINC000857583815 882359435 /nfs/dbraw/zinc/35/94/35/882359435.db2.gz FIMRSCDGHJAVJB-UHFFFAOYSA-N 0 0 394.353 3.600 20 10 GHCDRN CCOc1ccc(N(CC)CC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000746158986 870084763 /nfs/dbraw/zinc/08/47/63/870084763.db2.gz MKSHKZZHPRKVHS-UHFFFAOYSA-N 0 0 377.488 3.978 20 10 GHCDRN COc1cccc(-c2ccc(C(=O)N3CCCc4cc(O)c(O)cc4C3)cn2)c1 ZINC001192370516 870327308 /nfs/dbraw/zinc/32/73/08/870327308.db2.gz FRYDXHPNCCUZFE-UHFFFAOYSA-N 0 0 390.439 3.757 20 10 GHCDRN CC(C)[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1nc(C2CC2)no1 ZINC000174672926 870504739 /nfs/dbraw/zinc/50/47/39/870504739.db2.gz GDZPVTBZYQVAKZ-SFHVURJKSA-N 0 0 384.480 3.728 20 10 GHCDRN C[C@H](NC(=O)Nc1ccccc1-n1cccn1)c1ccc(N2CCOCC2)cc1 ZINC000065455914 870642917 /nfs/dbraw/zinc/64/29/17/870642917.db2.gz LRTBDLOAGMOHJI-KRWDZBQOSA-N 0 0 391.475 3.592 20 10 GHCDRN CC(C)c1noc2ncc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc21 ZINC000920880601 882435145 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COCc1ccc(CNC(=O)c2csc(-c3ccc(N(C)C)cc3)n2)cc1 ZINC001193179723 870956190 /nfs/dbraw/zinc/95/61/90/870956190.db2.gz XOMPELCAZBSGPY-UHFFFAOYSA-N 0 0 381.501 3.953 20 10 GHCDRN Cc1cc(CCNS(=O)(=O)CC[C@H]2CCCCO2)c(C)n1-c1ccccc1 ZINC001193234410 870964658 /nfs/dbraw/zinc/96/46/58/870964658.db2.gz UHQNWMFIXZVEBH-OAQYLSRUSA-N 0 0 390.549 3.515 20 10 GHCDRN CCOC(=O)Cc1ccc(Cl)c(NC(=O)c2ccc(O)c(O)c2Cl)c1 ZINC001193229334 870990398 /nfs/dbraw/zinc/99/03/98/870990398.db2.gz IDROUCXTFMAIDS-UHFFFAOYSA-N 0 0 384.215 3.763 20 10 GHCDRN COc1ccc(N2CCN(C(=O)COc3cc(Cl)ccc3Cl)CC2)cc1 ZINC000003555668 871116671 /nfs/dbraw/zinc/11/66/71/871116671.db2.gz DVGBLNDQFHWEIK-UHFFFAOYSA-N 0 0 395.286 3.730 20 10 GHCDRN CC(=O)NC[C@H](C)CNC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)c1C ZINC001193556065 871183943 /nfs/dbraw/zinc/18/39/43/871183943.db2.gz LOCNWDHJISVGAL-KRWDZBQOSA-N 0 0 389.499 3.955 20 10 GHCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(C)c(Cl)cc3C)cc2)CC1 ZINC000793924089 882487853 /nfs/dbraw/zinc/48/78/53/882487853.db2.gz 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3.817 20 10 GHCDRN Cc1ccc(N2CCCN(C(=O)NCCCSc3nccs3)CC2)cc1 ZINC000154672533 893373392 /nfs/dbraw/zinc/37/33/92/893373392.db2.gz QSAWYCYEYDXKNM-UHFFFAOYSA-N 0 0 390.578 3.856 20 10 GHCDRN CC[C@@H]1CCCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000918219954 893390140 /nfs/dbraw/zinc/39/01/40/893390140.db2.gz RXXFSBSMDBUPLX-YESZJQIVSA-N 0 0 377.504 3.771 20 10 GHCDRN Clc1ccc(Br)c(CNCc2ccc(N3CCOCC3)cc2)n1 ZINC000876963588 893409761 /nfs/dbraw/zinc/40/97/61/893409761.db2.gz DZOQXEXAISVKAB-UHFFFAOYSA-N 0 0 396.716 3.624 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3nsc4ccc(C)cc43)CC2)cc1 ZINC000815072761 893417487 /nfs/dbraw/zinc/41/74/87/893417487.db2.gz BHHHBGGSIYCEQR-UHFFFAOYSA-N 0 0 381.501 3.966 20 10 GHCDRN COc1c([O-])c(C[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000774846815 913770901 /nfs/dbraw/zinc/77/09/01/913770901.db2.gz VNBHUESQZCHOMP-UHFFFAOYSA-N 0 0 396.447 3.764 20 10 GHCDRN COc1cccc(-c2cc(NCc3ccc(N4CCC(O)CC4)cc3)n(C)n2)c1 ZINC000877129245 893500721 /nfs/dbraw/zinc/50/07/21/893500721.db2.gz ANGOHPFLDKVYMB-UHFFFAOYSA-N 0 0 392.503 3.669 20 10 GHCDRN C[C@H](NC(=O)N[C@@H](C)c1cccc(F)c1F)c1ccc(N2CCOCC2)cc1 ZINC000126402494 893534296 /nfs/dbraw/zinc/53/42/96/893534296.db2.gz OJIRYPTXMKDNOW-GJZGRUSLSA-N 0 0 389.446 3.923 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3c(C)nn(C(C)(C)C)c3C)CC2)cc1 ZINC000918368713 893555709 /nfs/dbraw/zinc/55/57/09/893555709.db2.gz GUNIIASSKAZDTA-UHFFFAOYSA-N 0 0 384.524 3.616 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000918429513 893665651 /nfs/dbraw/zinc/66/56/51/893665651.db2.gz JMOQQGRFYXKOKQ-UHFFFAOYSA-N 0 0 375.472 3.941 20 10 GHCDRN Cc1cc(Cl)ccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000918456915 893734162 /nfs/dbraw/zinc/73/41/62/893734162.db2.gz OYFGKMSYDFXYQL-UHFFFAOYSA-N 0 0 385.895 3.844 20 10 GHCDRN CC[C@@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCC(C)CC1 ZINC000763428442 893781681 /nfs/dbraw/zinc/78/16/81/893781681.db2.gz ZCBNACUVGYFDEZ-QOLBBYBCSA-N 0 0 399.579 3.857 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)c1cnc2c(c1)c(C(F)(F)F)nn2C ZINC000934706374 893835544 /nfs/dbraw/zinc/83/55/44/893835544.db2.gz KPEPGRBBOBBHIB-UHFFFAOYSA-N 0 0 392.381 3.745 20 10 GHCDRN O=C(NCc1ccc(Br)cc1)NCc1ccc(N2CC=CC2)cc1 ZINC000126815508 893918992 /nfs/dbraw/zinc/91/89/92/893918992.db2.gz KIVBDXJBHBGMCS-UHFFFAOYSA-N 0 0 386.293 3.825 20 10 GHCDRN C[C@@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1cccc(C(F)(F)F)c1[O-] ZINC000815582786 894021579 /nfs/dbraw/zinc/02/15/79/894021579.db2.gz PGNVGDCBFVGNPD-SECBINFHSA-N 0 0 394.319 3.983 20 10 GHCDRN C[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1cccc(C(F)(F)F)c1[O-] ZINC000815592488 894030902 /nfs/dbraw/zinc/03/09/02/894030902.db2.gz JOFLJQROVNOHRM-SNVBAGLBSA-N 0 0 388.336 3.770 20 10 GHCDRN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])[C@H]1n1cccn1 ZINC000815661219 894075564 /nfs/dbraw/zinc/07/55/64/894075564.db2.gz WTCHKUSCBJSPEL-JWSRLSBWSA-N 0 0 398.276 3.560 20 10 GHCDRN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])[C@@H]1n1cccn1 ZINC000815661220 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399.393 3.572 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1c2c[nH]nc2CC[C@H]1C ZINC000879023594 894789271 /nfs/dbraw/zinc/78/92/71/894789271.db2.gz FZDUOSONTMDRSG-DIFFPNOSSA-N 0 0 392.297 3.592 20 10 GHCDRN CC(C)O[C@@H](C(=O)NCc1cccc(Br)c1O)c1ccccc1 ZINC000816496298 894862623 /nfs/dbraw/zinc/86/26/23/894862623.db2.gz DLBMHEFAJFHOAI-QGZVFWFLSA-N 0 0 378.266 3.937 20 10 GHCDRN COc1c([O-])c(C[N@@H+](Cc2ccccc2)CC2CCOCC2)ccc1[N+](=O)[O-] ZINC000774889183 913912135 /nfs/dbraw/zinc/91/21/35/913912135.db2.gz XJVSXYYKMNZJAG-UHFFFAOYSA-N 0 0 386.448 3.738 20 10 GHCDRN Cc1ccc([C@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])N2CCOCC2)cc1 ZINC000816536522 894906036 /nfs/dbraw/zinc/90/60/36/894906036.db2.gz AWHOSQXPAIJGPE-IBGZPJMESA-N 0 0 378.875 3.656 20 10 GHCDRN Cc1c(NCc2cc(Cl)c(F)cc2O)cccc1N1C(=O)N[C@@H](C)C1=O ZINC000816612912 894974426 /nfs/dbraw/zinc/97/44/26/894974426.db2.gz AYAJHUPMMNRMBS-JTQLQIEISA-N 0 0 377.803 3.550 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000826104670 894975799 /nfs/dbraw/zinc/97/57/99/894975799.db2.gz BZZFCURKRJDXNK-IIAWOOMASA-N 0 0 379.451 3.745 20 10 GHCDRN CN(C)c1ccc(C2(C(=O)NCc3cc(Br)ccc3O)CC2)cc1 ZINC000816653681 894997439 /nfs/dbraw/zinc/99/74/39/894997439.db2.gz DFGRXKIPDARTEM-UHFFFAOYSA-N 0 0 389.293 3.569 20 10 GHCDRN Cc1cc(C(=O)N(C)[C@@H]2CCC(=O)N(C)C2)c(C)n1-c1cccc(C(C)C)c1 ZINC000816740063 895045644 /nfs/dbraw/zinc/04/56/44/895045644.db2.gz UGQOZCOUTHDITN-HXUWFJFHSA-N 0 0 381.520 3.910 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N3C[C@H](CO)Cc4ccccc43)c2C)cc1 ZINC000816784718 895069296 /nfs/dbraw/zinc/06/92/96/895069296.db2.gz SJVVPJMXUKQSJB-GOSISDBHSA-N 0 0 390.483 3.914 20 10 GHCDRN O=C(c1snc(Cl)c1Cl)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000816921826 895181001 /nfs/dbraw/zinc/18/10/01/895181001.db2.gz HURLIJMBLVSUIY-NSHDSACASA-N 0 0 387.288 3.977 20 10 GHCDRN O=C(c1cccc([N+](=O)[O-])c1Cl)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000816921591 895182661 /nfs/dbraw/zinc/18/26/61/895182661.db2.gz AOBHNTQNJMRBAY-CQSZACIVSA-N 0 0 390.823 3.775 20 10 GHCDRN COc1ccccc1[C@H]1CN(Cc2ccc(N3CCC(OC)CC3)cc2)CCO1 ZINC000879629699 895185041 /nfs/dbraw/zinc/18/50/41/895185041.db2.gz UTCJHCALWPPRHP-XMMPIXPASA-N 0 0 396.531 3.884 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1nc2cnccc2s1 ZINC000816940605 895225220 /nfs/dbraw/zinc/22/52/20/895225220.db2.gz HZGNWWIVEURZIA-UHFFFAOYSA-N 0 0 392.278 3.822 20 10 GHCDRN COc1ccccc1C[C@@H]1CCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000127942701 895236098 /nfs/dbraw/zinc/23/60/98/895236098.db2.gz XTKRSRPAJMNTBJ-QFIPXVFZSA-N 0 0 391.515 3.988 20 10 GHCDRN Cc1cc(C(=O)Nc2nc(C)n(C)n2)c(C)n1-c1cccc(Br)c1 ZINC000817019157 895263752 /nfs/dbraw/zinc/26/37/52/895263752.db2.gz WZNUVWPIURTQJN-UHFFFAOYSA-N 0 0 388.269 3.546 20 10 GHCDRN CC[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000127986629 895274137 /nfs/dbraw/zinc/27/41/37/895274137.db2.gz NWUKUPNTBNSWCR-FQEVSTJZSA-N 0 0 393.487 3.785 20 10 GHCDRN CC(=O)c1nc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)sc1C ZINC000879773458 895281720 /nfs/dbraw/zinc/28/17/20/895281720.db2.gz KGJBCCGKLNEJKH-HNNXBMFYSA-N 0 0 389.477 3.573 20 10 GHCDRN Cc1nc2c(cccc2NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)o1 ZINC000879822568 895321401 /nfs/dbraw/zinc/32/14/01/895321401.db2.gz SWMZEABZWGMEEG-UHFFFAOYSA-N 0 0 394.475 3.667 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1snc2ccccc21 ZINC000879827604 895328021 /nfs/dbraw/zinc/32/80/21/895328021.db2.gz YZUDBNQGBMCQAA-UHFFFAOYSA-N 0 0 382.489 3.797 20 10 GHCDRN Cc1c(Cl)c(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)nn1C ZINC000817431236 895619992 /nfs/dbraw/zinc/61/99/92/895619992.db2.gz LFNAOFYERILSGT-UHFFFAOYSA-N 0 0 388.821 3.653 20 10 GHCDRN CSCCc1ccccc1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000880351820 895652398 /nfs/dbraw/zinc/65/23/98/895652398.db2.gz IVWPWIYGDDCCGE-UHFFFAOYSA-N 0 0 399.560 3.875 20 10 GHCDRN CCn1c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc2ccccc21 ZINC000109179391 895666681 /nfs/dbraw/zinc/66/66/81/895666681.db2.gz CRWLEDOEQGZKID-KRWDZBQOSA-N 0 0 377.488 3.989 20 10 GHCDRN CCn1c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc2ccccc21 ZINC000109179393 895666992 /nfs/dbraw/zinc/66/69/92/895666992.db2.gz CRWLEDOEQGZKID-QGZVFWFLSA-N 0 0 377.488 3.989 20 10 GHCDRN CCN1c2ccc(NC(=O)N(C)Cc3ccccc3O)cc2OCC(C)(C)C1=O ZINC000880393045 895681139 /nfs/dbraw/zinc/68/11/39/895681139.db2.gz NCLVMEKTWPUVCL-UHFFFAOYSA-N 0 0 397.475 3.828 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(Br)[nH]c2=O)cc1 ZINC001135946192 895740265 /nfs/dbraw/zinc/74/02/65/895740265.db2.gz JDTBLRNSSHNIMM-UHFFFAOYSA-N 0 0 392.297 3.668 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc3c(c2)N[C@@H](C)CC(=O)N3)cc1 ZINC001135948194 895749905 /nfs/dbraw/zinc/74/99/05/895749905.db2.gz JHSWTPKKVMGODN-INIZCTEOSA-N 0 0 394.519 3.948 20 10 GHCDRN CCCN1C[C@@H](C[NH2+][C@H](C)c2cc(Br)cc(Cl)c2[O-])CC1=O ZINC000817589042 895759674 /nfs/dbraw/zinc/75/96/74/895759674.db2.gz LFEDKQQYIZXOOY-GHMZBOCLSA-N 0 0 389.721 3.717 20 10 GHCDRN COCc1cc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1OC ZINC000880668330 895797658 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CN(Cc1ccc(N2CCOCC2)cc1)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000845459239 902170609 /nfs/dbraw/zinc/17/06/09/902170609.db2.gz NEBWDPDIARCJLF-UHFFFAOYSA-N 0 0 378.432 3.616 20 10 GHCDRN C[C@H](NC(=O)Nc1cnn(-c2ccccc2)c1)c1ccc(N2CCOCC2)cc1 ZINC000158850786 902216651 /nfs/dbraw/zinc/21/66/51/902216651.db2.gz ZVYCHGAYGINLGB-KRWDZBQOSA-N 0 0 391.475 3.592 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000158876107 902250983 /nfs/dbraw/zinc/25/09/83/902250983.db2.gz GPJWDFUQNUZKJE-RTWAWAEBSA-N 0 0 394.471 3.652 20 10 GHCDRN CSCC1(CC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000845832544 902437302 /nfs/dbraw/zinc/43/73/02/902437302.db2.gz DPXRCXASZIOGNI-MRXNPFEDSA-N 0 0 382.957 3.660 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1 ZINC000801549543 921121000 /nfs/dbraw/zinc/12/10/00/921121000.db2.gz QHEOVRRXZYUPOZ-HNNXBMFYSA-N 0 0 393.480 3.522 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccccc1OCCn1ccnc1 ZINC000159177252 902671264 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/nfs/dbraw/zinc/37/70/32/908377032.db2.gz AUSVZBCJEHEATH-NVXWUHKLSA-N 0 0 390.528 3.512 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H](CC(=O)NCc1ccccc1O)Cc1cccs1 ZINC001177111547 908412869 /nfs/dbraw/zinc/41/28/69/908412869.db2.gz ZKZLWGRIJJMXBZ-HNNXBMFYSA-N 0 0 390.505 3.596 20 10 GHCDRN COc1ccccc1N1CCC(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773614657 908417529 /nfs/dbraw/zinc/41/75/29/908417529.db2.gz BPXJZELPRLHOBQ-KRWDZBQOSA-N 0 0 396.535 3.790 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC000190484890 908493364 /nfs/dbraw/zinc/49/33/64/908493364.db2.gz LGGCGBWKDWJXKP-UHFFFAOYSA-N 0 0 394.475 3.700 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc2ncsc2c1 ZINC000193573434 908521069 /nfs/dbraw/zinc/52/10/69/908521069.db2.gz ATIXTVQDUVBOJA-UHFFFAOYSA-N 0 0 396.516 3.827 20 10 GHCDRN COc1cc(OC)c(C[NH2+]Cc2cc(C)cc(Br)c2[O-])c(OC)c1 ZINC001177323708 908526351 /nfs/dbraw/zinc/52/63/51/908526351.db2.gz ZNQJYRQQEWMZGQ-UHFFFAOYSA-N 0 0 396.281 3.779 20 10 GHCDRN COc1ccc([C@@H](NC(=O)COc2ccc(N3CCCC3)cc2)C2CC2)cc1 ZINC000193667324 908617742 /nfs/dbraw/zinc/61/77/42/908617742.db2.gz WGYDGDUJCRZGTC-QHCPKHFHSA-N 0 0 380.488 3.942 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](CO)C[C@H]2CCCO2)c(C)n1-c1ccc(C(C)C)cc1 ZINC001177974995 908854815 /nfs/dbraw/zinc/85/48/15/908854815.db2.gz OTONFGGGVXAPTM-TZIWHRDSSA-N 0 0 384.520 3.877 20 10 GHCDRN CCSc1nn(CN2CCN(c3ccc(OC)cc3)CC2)c(=S)s1 ZINC000194543600 908892043 /nfs/dbraw/zinc/89/20/43/908892043.db2.gz PLTJBMXWUMUPMH-UHFFFAOYSA-N 0 0 382.580 3.574 20 10 GHCDRN CCOC(=O)[C@H](NCc1cc(Br)cc(OC)c1O)c1ccccc1 ZINC000194739167 908919469 /nfs/dbraw/zinc/91/94/69/908919469.db2.gz OLCPIHIOVXHFGG-MRXNPFEDSA-N 0 0 394.265 3.557 20 10 GHCDRN COc1ccccc1-n1ncc(C(=O)NCc2ccc(N3CCCC3)cc2)c1C ZINC000195106293 908968107 /nfs/dbraw/zinc/96/81/07/908968107.db2.gz KYJLLAXILMEWIH-UHFFFAOYSA-N 0 0 390.487 3.720 20 10 GHCDRN CNC(=O)c1cccc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)c1 ZINC000195182337 908977112 /nfs/dbraw/zinc/97/71/12/908977112.db2.gz GEFOVEGPZQYDDG-UHFFFAOYSA-N 0 0 377.444 3.715 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)Nc2ccc3c(c2)NC(=O)CC3)C2CC2)cc1 ZINC000266355570 909093220 /nfs/dbraw/zinc/09/32/20/909093220.db2.gz CKKHHXBVAKGDHC-UHFFFAOYSA-N 0 0 378.476 3.834 20 10 GHCDRN CCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(OC)c(OC)c1 ZINC000266622806 909235496 /nfs/dbraw/zinc/23/54/96/909235496.db2.gz GJQVLXKRJMNRQA-UHFFFAOYSA-N 0 0 384.392 3.689 20 10 GHCDRN CCN(C)c1ccc(CN(CC(=O)NC)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000773771923 909237611 /nfs/dbraw/zinc/23/76/11/909237611.db2.gz HLCSIAMJDXXDBN-UHFFFAOYSA-N 0 0 393.453 3.910 20 10 GHCDRN Cc1ccc(C(=O)NCc2c(O)cccc2O)cc1NC(=O)c1ccccc1F ZINC001178905673 909305989 /nfs/dbraw/zinc/30/59/89/909305989.db2.gz QJPHNDAYFUFZOV-UHFFFAOYSA-N 0 0 394.402 3.728 20 10 GHCDRN COc1nscc1CN(C)C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC001179122710 909392207 /nfs/dbraw/zinc/39/22/07/909392207.db2.gz SRXPSCJCZKKPDV-UHFFFAOYSA-N 0 0 385.489 3.840 20 10 GHCDRN Cc1cc(C(=O)N2CCn3nc(C(C)(C)C)cc3C2)c(C)n1-c1ccccn1 ZINC001179721264 909680715 /nfs/dbraw/zinc/68/07/15/909680715.db2.gz GUKDTBWSNOHBKK-UHFFFAOYSA-N 0 0 377.492 3.639 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(C(=O)N(C)C)cc1OC ZINC000267903361 909688145 /nfs/dbraw/zinc/68/81/45/909688145.db2.gz SURGYGQIFLTKAS-UHFFFAOYSA-N 0 0 385.464 3.547 20 10 GHCDRN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000268011711 909736168 /nfs/dbraw/zinc/73/61/68/909736168.db2.gz RLDDXUDFIPFQBO-UHFFFAOYSA-N 0 0 388.489 3.517 20 10 GHCDRN COc1cc(CN2CCN(C(=O)OCC(C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC001180067638 909923079 /nfs/dbraw/zinc/92/30/79/909923079.db2.gz BHRYVGGXSWVNLS-UHFFFAOYSA-N 0 0 378.513 3.609 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(C(=O)/C=C\c2cncc(O)c2)c2ccccc21 ZINC000773840628 909960097 /nfs/dbraw/zinc/96/00/97/909960097.db2.gz BVKMZZZGBFKBQI-HJWRWDBZSA-N 0 0 381.432 3.589 20 10 GHCDRN COc1ccc(CNS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)c(O)c1 ZINC000795357785 910053214 /nfs/dbraw/zinc/05/32/14/910053214.db2.gz IVHVUOJTXWXCNQ-UHFFFAOYSA-N 0 0 395.786 3.552 20 10 GHCDRN Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1-c1ncco1 ZINC000773848621 910066737 /nfs/dbraw/zinc/06/67/37/910066737.db2.gz SVZPNEZPVJPCIX-HNNXBMFYSA-N 0 0 392.459 3.532 20 10 GHCDRN C[C@H](NC(=O)C(=O)Nc1ccccc1CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773849578 910073864 /nfs/dbraw/zinc/07/38/64/910073864.db2.gz WFHCXUCTBRMESP-ZDUSSCGKSA-N 0 0 393.409 3.673 20 10 GHCDRN Cc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccc1C(F)(F)F ZINC000773857310 910133807 /nfs/dbraw/zinc/13/38/07/910133807.db2.gz MBNPKJIAYBWJSL-CYBMUJFWSA-N 0 0 393.409 3.896 20 10 GHCDRN Cc1ccc(-c2ncco2)cc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773856881 910141577 /nfs/dbraw/zinc/14/15/77/910141577.db2.gz MEEDNIZMHJVLSV-OAHLLOKOSA-N 0 0 392.459 3.532 20 10 GHCDRN Cc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccc1OC(C)C ZINC000773858899 910171278 /nfs/dbraw/zinc/17/12/78/910171278.db2.gz RPADHYXUPCRAED-MRXNPFEDSA-N 0 0 383.492 3.664 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCC[C@@H]([S@](=O)CC)C2)cc1F ZINC000246542779 910364962 /nfs/dbraw/zinc/36/49/62/910364962.db2.gz GGBBUYRFBHMVEQ-DDWQGHIRSA-N 0 0 397.560 3.551 20 10 GHCDRN CC[C@]1(C(=O)N2CCc3cccc(O)c3C2)CCCN(C(=O)OC(C)(C)C)C1 ZINC001180882409 910413911 /nfs/dbraw/zinc/41/39/11/910413911.db2.gz QWZNYPDEXORDRV-QFIPXVFZSA-N 0 0 388.508 3.704 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000270084662 910432974 /nfs/dbraw/zinc/43/29/74/910432974.db2.gz KAJWJWPKVBJUJF-OQRWROFFSA-N 0 0 387.549 3.831 20 10 GHCDRN C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000270206709 910481273 /nfs/dbraw/zinc/48/12/73/910481273.db2.gz ZOVKHFFYNVFHDU-CHAGWJKLSA-N 0 0 385.533 3.585 20 10 GHCDRN CN1C(=O)CCc2cc(/C=C3\SC(=S)N(C(C4CC4)C4CC4)C3=O)ccc21 ZINC000773899479 910525121 /nfs/dbraw/zinc/52/51/21/910525121.db2.gz OKMQIKRZOPFPTJ-BOPFTXTBSA-N 0 0 398.553 3.985 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000270431725 910563544 /nfs/dbraw/zinc/56/35/44/910563544.db2.gz MLEORHVJTSNZAY-JWIGPWBQSA-N 0 0 387.549 3.783 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@@]3(CCOC3=O)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC001181464454 910778156 /nfs/dbraw/zinc/77/81/56/910778156.db2.gz JLXSKGYTOIKSKW-HSZRJFAPSA-N 0 0 380.488 3.997 20 10 GHCDRN C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@@H+]2Cc2ccc(F)c(F)c2[O-])C1 ZINC001181622219 910884824 /nfs/dbraw/zinc/88/48/24/910884824.db2.gz RPQKDWDXGJGLOS-ZBFHGGJFSA-N 0 0 382.451 3.893 20 10 GHCDRN CCc1nn(C)cc1NC(=O)N(CC)Cc1cc(Br)ccc1O ZINC000271547280 910951182 /nfs/dbraw/zinc/95/11/82/910951182.db2.gz IYGKUPDKZZONFG-UHFFFAOYSA-N 0 0 381.274 3.505 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC001182153614 911212168 /nfs/dbraw/zinc/21/21/68/911212168.db2.gz BLGRZAIOTQSMNG-PDIWNELESA-N 0 0 385.504 3.871 20 10 GHCDRN C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC000773987761 911236179 /nfs/dbraw/zinc/23/61/79/911236179.db2.gz HDAPMKUDUKHNPN-OAHLLOKOSA-N 0 0 382.464 3.752 20 10 GHCDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773988217 911236516 /nfs/dbraw/zinc/23/65/16/911236516.db2.gz JMJGXWTWRBBRCQ-QWHCGFSZSA-N 0 0 391.855 3.959 20 10 GHCDRN O=C(c1cncc(Br)c1)N(Cc1ccco1)Cc1ccccc1O ZINC000247845406 911458068 /nfs/dbraw/zinc/45/80/68/911458068.db2.gz DAYBUVJPIWMTLY-UHFFFAOYSA-N 0 0 387.233 3.985 20 10 GHCDRN COC(=O)c1ccc(C)c(NC(=O)CSc2nc3cc(F)c(F)cc3[nH]2)c1 ZINC000247974030 911552423 /nfs/dbraw/zinc/55/24/23/911552423.db2.gz BWMZZZYXNVPFGG-UHFFFAOYSA-N 0 0 391.399 3.667 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000283546448 911553282 /nfs/dbraw/zinc/55/32/82/911553282.db2.gz HXTFBLKBHVBTLW-UHFFFAOYSA-N 0 0 394.471 3.679 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C(F)(F)F)cn1 ZINC000283602426 911578892 /nfs/dbraw/zinc/57/88/92/911578892.db2.gz MFBHEHXPRASFMG-UHFFFAOYSA-N 0 0 395.381 3.573 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[C@H]([S@](=O)CC)C1 ZINC000283606547 911581089 /nfs/dbraw/zinc/58/10/89/911581089.db2.gz LPGPBTZQUIBKBM-FIAZIHOUSA-N 0 0 380.554 3.784 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N(Cc2ccccc2)C2CC2)cc1 ZINC000774358854 911700892 /nfs/dbraw/zinc/70/08/92/911700892.db2.gz SLVSPPRGMNAADQ-UHFFFAOYSA-N 0 0 393.531 3.682 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1ccc(C(=O)N(C)C)cc1 ZINC000801975209 921715797 /nfs/dbraw/zinc/71/57/97/921715797.db2.gz LUOKQJADLSCYIR-UHFFFAOYSA-N 0 0 383.492 3.606 20 10 GHCDRN Cc1ccc2c(c1NC(=O)NCCC(F)(F)F)C(=O)c1ccccc1C2=O ZINC001187012933 914943226 /nfs/dbraw/zinc/94/32/26/914943226.db2.gz MONHVEGPFNUYCB-UHFFFAOYSA-N 0 0 376.334 3.844 20 10 GHCDRN CN(C(=O)NCc1ccc2c(c1)CCCN2C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000303638043 915014202 /nfs/dbraw/zinc/01/42/02/915014202.db2.gz GWFMYPZBMYWYAU-JOCHJYFZSA-N 0 0 392.547 3.879 20 10 GHCDRN Cc1cc(Cl)cnc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000291245683 915058776 /nfs/dbraw/zinc/05/87/76/915058776.db2.gz BEAHUEBVZLAUQU-INIZCTEOSA-N 0 0 375.856 3.962 20 10 GHCDRN COc1ccc(CNC(=O)CN(Cc2ccco2)c2ccc(OC)c(F)c2)cc1 ZINC000303807987 915162956 /nfs/dbraw/zinc/16/29/56/915162956.db2.gz KQDXARNGXXKPTN-UHFFFAOYSA-N 0 0 398.434 3.759 20 10 GHCDRN O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)N[C@H](c1ccccc1)C1CC1 ZINC000252443456 915205744 /nfs/dbraw/zinc/20/57/44/915205744.db2.gz ZIJJPWISJYCYOY-ZJSXRUAMSA-N 0 0 394.515 3.641 20 10 GHCDRN Cc1cc(O)cc(C)c1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1 ZINC001187465834 915277527 /nfs/dbraw/zinc/27/75/27/915277527.db2.gz FUDJYGAZCOXNPB-UHFFFAOYSA-N 0 0 377.462 3.761 20 10 GHCDRN Cc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)n1Cc1ccccn1 ZINC000097285753 915482904 /nfs/dbraw/zinc/48/29/04/915482904.db2.gz MVEXTGWMIUOEKV-UHFFFAOYSA-N 0 0 376.504 3.886 20 10 GHCDRN COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cccc(Br)c2[O-])cc1 ZINC000775152505 915599423 /nfs/dbraw/zinc/59/94/23/915599423.db2.gz NESPFURNSRIQGA-LBPRGKRZSA-N 0 0 393.281 3.670 20 10 GHCDRN C[C@H](C[C@H](C)[NH2+]Cc1cccc(Br)c1[O-])NC(=O)OC(C)(C)C ZINC000775153892 915610122 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COc1cccc(C)c1C(=O)Nc1c(N)ccc2c1C(=O)c1ccccc1C2=O ZINC001188804209 916219804 /nfs/dbraw/zinc/21/98/04/916219804.db2.gz IVPSOIKCMZIEKN-UHFFFAOYSA-N 0 0 386.407 3.614 20 10 GHCDRN CC(C)[N@@H+](Cc1cccc(Br)c1[O-])C[C@@H](O)COc1ccccc1 ZINC000775202064 916224978 /nfs/dbraw/zinc/22/49/78/916224978.db2.gz YXGRQUCHQUCJIU-MRXNPFEDSA-N 0 0 394.309 3.805 20 10 GHCDRN Cc1cc(C(=O)COc2ccc3c(c2)CCNC3=O)c(C)n1-c1ccccc1C ZINC001189488212 916672783 /nfs/dbraw/zinc/67/27/83/916672783.db2.gz USUBAFYHWOANMX-UHFFFAOYSA-N 0 0 388.467 3.950 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@H]2C[C@@H](C)n3ccnc32)CCCC1 ZINC000650076351 916706065 /nfs/dbraw/zinc/70/60/65/916706065.db2.gz RDCDJBUFJCRBFK-KDOFPFPSSA-N 0 0 378.476 3.547 20 10 GHCDRN CCS(=O)(=O)c1c(Cl)cccc1CNCc1ccc(N(C)C)cc1C ZINC000775311155 916918117 /nfs/dbraw/zinc/91/81/17/916918117.db2.gz OLIULLANTWFQHT-UHFFFAOYSA-N 0 0 380.941 3.798 20 10 GHCDRN COc1ccc2c(c1)c1c(n2Cc2nc(-c3ncc(C)cn3)no2)CCCC1 ZINC000650561425 917101809 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C=C1c2ccccc2C(=O)N1CC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000010229809 923965116 /nfs/dbraw/zinc/96/51/16/923965116.db2.gz LJICIDRQFHZFFJ-UHFFFAOYSA-N 0 0 377.488 3.618 20 10 GHCDRN CC1(C)C[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2[O-])CO1 ZINC000826797368 924207146 /nfs/dbraw/zinc/20/71/46/924207146.db2.gz RWLGHEGNEZPZLI-SNVBAGLBSA-N 0 0 379.092 3.574 20 10 GHCDRN COc1c([O-])c(C[NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)ccc1[N+](=O)[O-] ZINC000826822622 924232828 /nfs/dbraw/zinc/23/28/28/924232828.db2.gz YZHFZXFFKSUKGC-ZDUSSCGKSA-N 0 0 391.855 3.579 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000010549823 924253988 /nfs/dbraw/zinc/25/39/88/924253988.db2.gz QVBBCJRLXYXKCM-UHFFFAOYSA-N 0 0 383.473 3.718 20 10 GHCDRN COC(=O)/C=C/c1ccc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)o1 ZINC000826862055 924300991 /nfs/dbraw/zinc/30/09/91/924300991.db2.gz SDKFWOZMVIWIDF-CSKARUKUSA-N 0 0 382.460 3.632 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1(Cc2ccc(F)cc2)CCOCC1 ZINC000410534689 925715230 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Cc1ccc(C(=O)Nc2cccc3c2CCN3C(=O)OC(C)(C)C)c(O)c1O ZINC000780966292 930654774 /nfs/dbraw/zinc/65/47/74/930654774.db2.gz YTADLKIUHDWGSN-UHFFFAOYSA-N 0 0 384.432 3.956 20 10 GHCDRN C[C@@H](NC(=O)c1ccc(OC2CCCC2)nc1)c1ccc(N2CCOCC2)cc1 ZINC000781631283 930915989 /nfs/dbraw/zinc/91/59/89/930915989.db2.gz OJOZCCUYYRJHGF-QGZVFWFLSA-N 0 0 395.503 3.731 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1nnc(-c2c[nH]nc2C)s1 ZINC000781696015 930944515 /nfs/dbraw/zinc/94/45/15/930944515.db2.gz YWYVFIPWQRQULA-UHFFFAOYSA-N 0 0 384.490 3.958 20 10 GHCDRN Cc1cc(Br)c(O)c(CN2CCN(c3ccc(Cl)cn3)CC2)c1 ZINC000781897241 931016637 /nfs/dbraw/zinc/01/66/37/931016637.db2.gz QDDIZXMCTDJFPB-UHFFFAOYSA-N 0 0 396.716 3.834 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[N@H+](C)CCCNC(=O)OC(C)(C)C)c1 ZINC000781914044 931026093 /nfs/dbraw/zinc/02/60/93/931026093.db2.gz XCDQZUGCSSXTFP-UHFFFAOYSA-N 0 0 387.318 3.810 20 10 GHCDRN COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781919469 931029083 /nfs/dbraw/zinc/02/90/83/931029083.db2.gz AVLCDHMJEOTFFS-AWEZNQCLSA-N 0 0 384.314 3.874 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1csc(Cl)n1 ZINC000781920276 931029131 /nfs/dbraw/zinc/02/91/31/931029131.db2.gz HCVMZXXABDDAQK-UHFFFAOYSA-N 0 0 387.839 3.797 20 10 GHCDRN Cc1ccc(F)cc1C(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000781957217 931042696 /nfs/dbraw/zinc/04/26/96/931042696.db2.gz HRLAJUWEDMYIQN-FQEVSTJZSA-N 0 0 398.478 3.591 20 10 GHCDRN CCN(CC(=O)c1cc(C)n(-c2cccc(SC)c2)c1C)Cc1cn(C)nn1 ZINC000782100217 931090026 /nfs/dbraw/zinc/09/00/26/931090026.db2.gz PUSAOUCJRFIDDQ-UHFFFAOYSA-N 0 0 397.548 3.649 20 10 GHCDRN CCOc1cccc2[nH]cc(CC(=O)NCc3ccc4c(c3)CCCN4C)c21 ZINC000782377792 931198337 /nfs/dbraw/zinc/19/83/37/931198337.db2.gz VNOHWDAJOPZVNA-UHFFFAOYSA-N 0 0 377.488 3.808 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCc2cn(C)nc2-c2ccccc2)cc1 ZINC000782501122 931244133 /nfs/dbraw/zinc/24/41/33/931244133.db2.gz OHFUHMYEPQNMTP-UHFFFAOYSA-N 0 0 391.519 3.933 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N3Cc4ccccc4OC[C@@H]3C)CC2)cc1 ZINC000782717624 931312843 /nfs/dbraw/zinc/31/28/43/931312843.db2.gz FMMHJKUPWJAUPR-KRWDZBQOSA-N 0 0 395.503 3.657 20 10 GHCDRN CCOc1ccc(CNc2ccc(Oc3cccc(C(N)=O)c3)nc2)c(O)c1 ZINC000777516835 931313020 /nfs/dbraw/zinc/31/30/20/931313020.db2.gz UBAGEAZUIMXAIM-UHFFFAOYSA-N 0 0 379.416 3.689 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2cn(C)nc2C(F)(F)F)cc1 ZINC000782812591 931340526 /nfs/dbraw/zinc/34/05/26/931340526.db2.gz PJGNRCARFRLLHL-UHFFFAOYSA-N 0 0 383.418 3.949 20 10 GHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccnc(C2CC2)c1 ZINC000783052393 931395939 /nfs/dbraw/zinc/39/59/39/931395939.db2.gz ZFOITMHKKXEGKH-MRXNPFEDSA-N 0 0 387.430 3.959 20 10 GHCDRN COc1ccc(N2CCN(C(=O)N[C@@H](CC(F)(F)F)C(C)C)CC2)cc1F ZINC000783053820 931396606 /nfs/dbraw/zinc/39/66/06/931396606.db2.gz MPFHLHQXCMBOPO-HNNXBMFYSA-N 0 0 391.409 3.643 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)OCc3nnc(C4CCC4)n3C)ccc21 ZINC000783141534 931431723 /nfs/dbraw/zinc/43/17/23/931431723.db2.gz IJXOFNQYELADKI-UHFFFAOYSA-N 0 0 396.491 3.658 20 10 GHCDRN Cc1noc(C)c1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 ZINC000783487108 931560540 /nfs/dbraw/zinc/56/05/40/931560540.db2.gz UPSAGYMQDCCTJY-CQSZACIVSA-N 0 0 378.432 3.607 20 10 GHCDRN COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000783721908 931630637 /nfs/dbraw/zinc/63/06/37/931630637.db2.gz AOINAKRIYAXQLU-LJQANCHMSA-N 0 0 375.900 3.935 20 10 GHCDRN O=C(COC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1ccc(O)c(O)c1 ZINC000783819842 931667142 /nfs/dbraw/zinc/66/71/42/931667142.db2.gz AJQYDTHPEGDSLR-STQMWFEESA-N 0 0 396.317 3.526 20 10 GHCDRN COc1cc(CN2CCNC(=O)[C@@H]2c2ccccc2F)c(O)c(C(C)(C)C)c1 ZINC000784034412 931762315 /nfs/dbraw/zinc/76/23/15/931762315.db2.gz TZJGGTUHZMAXSU-IBGZPJMESA-N 0 0 386.467 3.511 20 10 GHCDRN Nc1ccc(N(C(=O)C(=O)Nc2ccc3c(c2)CCO3)C2CCCCC2)cc1 ZINC000784058354 931769592 /nfs/dbraw/zinc/76/95/92/931769592.db2.gz REBCZNXAXWKNQN-UHFFFAOYSA-N 0 0 379.460 3.508 20 10 GHCDRN CN(C)c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1 ZINC000784058084 931769709 /nfs/dbraw/zinc/76/97/09/931769709.db2.gz KTULTISNVNHPPF-UHFFFAOYSA-N 0 0 380.492 3.639 20 10 GHCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2cc(C(=O)NCC3CC3)ccc2C)c1 ZINC000784068367 931773910 /nfs/dbraw/zinc/77/39/10/931773910.db2.gz ZQQLJFBJMRUFAJ-AWEZNQCLSA-N 0 0 382.460 3.800 20 10 GHCDRN CCOCc1cccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1 ZINC000784108695 931786644 /nfs/dbraw/zinc/78/66/44/931786644.db2.gz ONHRYBRSLWWRKF-UHFFFAOYSA-N 0 0 395.503 3.967 20 10 GHCDRN Cc1cc(N(C)C)ccc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1 ZINC000784108009 931786743 /nfs/dbraw/zinc/78/67/43/931786743.db2.gz DTUOPPHWMMBOOK-UHFFFAOYSA-N 0 0 394.519 3.805 20 10 GHCDRN CSc1ccncc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1 ZINC000784109060 931787278 /nfs/dbraw/zinc/78/72/78/931787278.db2.gz NPRNFYMTBVVFNR-UHFFFAOYSA-N 0 0 384.505 3.548 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCC([C@H]3CCOC3)CC2)cc1F ZINC000784302158 931850192 /nfs/dbraw/zinc/85/01/92/931850192.db2.gz FWYHYLWRRBHOBF-SFHVURJKSA-N 0 0 377.504 3.630 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000784312424 931852772 /nfs/dbraw/zinc/85/27/72/931852772.db2.gz MNTJTMALTONMAW-UHFFFAOYSA-N 0 0 391.515 3.841 20 10 GHCDRN C[C@H](Sc1nc2ccccc2s1)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784435608 931894246 /nfs/dbraw/zinc/89/42/46/931894246.db2.gz NOEWRRKOTVHXMV-JTQLQIEISA-N 0 0 389.454 3.614 20 10 GHCDRN CC[C@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1ccc(F)cc1[O-] ZINC000796703565 932036447 /nfs/dbraw/zinc/03/64/47/932036447.db2.gz KGZXPSNJMNNXGS-QUCCMNQESA-N 0 0 386.467 3.681 20 10 GHCDRN CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1ccc(F)cc1[O-] ZINC000796832439 932083240 /nfs/dbraw/zinc/08/32/40/932083240.db2.gz PXMORGMRKWSRFH-CJNGLKHVSA-N 0 0 398.272 3.774 20 10 GHCDRN C[C@@H](Oc1ccc(C=O)cc1)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000797191629 932218671 /nfs/dbraw/zinc/21/86/71/932218671.db2.gz VIOQAXFWXMUJFE-MRXNPFEDSA-N 0 0 379.412 3.794 20 10 GHCDRN CC1=C[C@H](C)CN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000797432906 932282663 /nfs/dbraw/zinc/28/26/63/932282663.db2.gz YATCTMZMRAFEFU-BHYGNILZSA-N 0 0 375.488 3.547 20 10 GHCDRN COc1ccc(CNC(=O)Nc2ccc(N3CCSCC3)cc2C)c(O)c1 ZINC000797620729 932347250 /nfs/dbraw/zinc/34/72/50/932347250.db2.gz WOSVSEKNMCFSFJ-UHFFFAOYSA-N 0 0 387.505 3.584 20 10 GHCDRN C[C@@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1cc(Br)c(F)cc1[O-] ZINC000926928620 932353030 /nfs/dbraw/zinc/35/30/30/932353030.db2.gz NVOWCPAGFOTNKO-SSDOTTSWSA-N 0 0 396.182 3.897 20 10 GHCDRN C[C@H]([NH2+]CCOC1CCOCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000927079693 932403341 /nfs/dbraw/zinc/40/33/41/932403341.db2.gz OBLWYWZSQAREAE-JTQLQIEISA-N 0 0 378.694 3.654 20 10 GHCDRN CCC(C)(C)NC(=O)c1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000798081947 932521654 /nfs/dbraw/zinc/52/16/54/932521654.db2.gz FIAQAGCQANJZAD-UHFFFAOYSA-N 0 0 387.436 3.840 20 10 GHCDRN O=C(N[C@@H]1CCCc2cccnc21)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000927369845 932523605 /nfs/dbraw/zinc/52/36/05/932523605.db2.gz CCFGJAZJSRNIGW-RTBURBONSA-N 0 0 381.476 3.555 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NCc3cc(F)ccc3O)cc2C1 ZINC000798277118 932590256 /nfs/dbraw/zinc/59/02/56/932590256.db2.gz WJWBQGOCXVYRBA-MRXNPFEDSA-N 0 0 387.455 3.920 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)[C@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C ZINC000798298901 932598957 /nfs/dbraw/zinc/59/89/57/932598957.db2.gz XRVIYUMNNOSPLO-QGZVFWFLSA-N 0 0 376.497 3.776 20 10 GHCDRN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000798366009 932615533 /nfs/dbraw/zinc/61/55/33/932615533.db2.gz GBGMQBFEVQRPRN-CIQXWFTPSA-N 0 0 385.552 3.758 20 10 GHCDRN Cc1ccccc1[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000798372340 932618375 /nfs/dbraw/zinc/61/83/75/932618375.db2.gz JCQJLGDOAKBAKD-WGSAOQKQSA-N 0 0 397.494 3.716 20 10 GHCDRN CN(c1ccc(CNC(=O)[C@H]2CCCc3nn(C)cc32)cc1)C1CCCCC1 ZINC000798935886 932824388 /nfs/dbraw/zinc/82/43/88/932824388.db2.gz WITFVISBNDCGKA-FQEVSTJZSA-N 0 0 380.536 3.925 20 10 GHCDRN O=C(Nc1cncc(F)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000799235675 932928704 /nfs/dbraw/zinc/92/87/04/932928704.db2.gz KHWRJRIVIAVEKN-CYBMUJFWSA-N 0 0 380.370 3.613 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(F)c(C3CC3)c2)cc1 ZINC000799252032 932934292 /nfs/dbraw/zinc/93/42/92/932934292.db2.gz DMGQKLVUPJUAKF-UHFFFAOYSA-N 0 0 383.467 3.804 20 10 GHCDRN COCc1nc(C(=O)NCc2ccc(N(C)C)cc2)c(-c2ccccc2)s1 ZINC000799298586 932942747 /nfs/dbraw/zinc/94/27/47/932942747.db2.gz CJEFFBMKCHMMEF-UHFFFAOYSA-N 0 0 381.501 3.953 20 10 GHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(C2CC2)no1 ZINC000799343643 932959116 /nfs/dbraw/zinc/95/91/16/932959116.db2.gz LLPSGXYYMNSOAP-CYBMUJFWSA-N 0 0 377.391 3.552 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1nc(C2CCC2)cs1 ZINC000799446475 933009114 /nfs/dbraw/zinc/00/91/14/933009114.db2.gz QYFKLSIOXVJBLK-UHFFFAOYSA-N 0 0 390.484 3.708 20 10 GHCDRN COc1ccc(C)cc1S(=O)(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000799769925 933112078 /nfs/dbraw/zinc/11/20/78/933112078.db2.gz GXVGIBSXRHCEOM-UHFFFAOYSA-N 0 0 388.533 3.718 20 10 GHCDRN COC(=O)c1ccc(OC2CC[NH+](Cc3c(F)ccc(F)c3[O-])CC2)cc1 ZINC001139684118 933209322 /nfs/dbraw/zinc/20/93/22/933209322.db2.gz QVLWKQIPIGXLTB-UHFFFAOYSA-N 0 0 377.387 3.500 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCCN2CCCCC2=O)c1 ZINC001116001587 933275430 /nfs/dbraw/zinc/27/54/30/933275430.db2.gz DWUBNTWJXCHLSO-UHFFFAOYSA-N 0 0 387.911 3.880 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)Nc2cnn(Cc3cccnc3)c2)C2CC2)cc1 ZINC001116196837 933399141 /nfs/dbraw/zinc/39/91/41/933399141.db2.gz VOYSQBJCSJQZSF-UHFFFAOYSA-N 0 0 390.491 3.589 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)c3ccc(-n4cc(C)cn4)cc3)CC2)cc1 ZINC001116347999 933500100 /nfs/dbraw/zinc/50/01/00/933500100.db2.gz IHNGZTXPKSQCKD-UHFFFAOYSA-N 0 0 390.487 3.542 20 10 GHCDRN C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@H](c2ccsc2)O1 ZINC001116445768 933563638 /nfs/dbraw/zinc/56/36/38/933563638.db2.gz YQPPGMCSAAFGSU-HRAATJIYSA-N 0 0 389.540 3.601 20 10 GHCDRN COC(=O)c1cc(C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)ccn1 ZINC000777823793 933633882 /nfs/dbraw/zinc/63/38/82/933633882.db2.gz XSDZSRNJZXGYCW-INIZCTEOSA-N 0 0 390.439 3.977 20 10 GHCDRN COc1ccc([C@@H](CO)N(C)C(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 ZINC000777830415 933635757 /nfs/dbraw/zinc/63/57/57/933635757.db2.gz YJBCFNIRHAQUAG-JOCHJYFZSA-N 0 0 378.472 3.908 20 10 GHCDRN CCOc1ccc(N2CCN(Cc3ccc(Cl)cc3-n3cncn3)CC2)cc1 ZINC001116894177 933816539 /nfs/dbraw/zinc/81/65/39/933816539.db2.gz GQGOZUKKQNBKHI-UHFFFAOYSA-N 0 0 397.910 3.642 20 10 GHCDRN Cc1nn(C)cc1CCC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC001116931488 933834041 /nfs/dbraw/zinc/83/40/41/933834041.db2.gz IWZUZRXWYWGTIL-OAHLLOKOSA-N 0 0 388.943 3.867 20 10 GHCDRN Cc1cc(-c2nnc(Cn3c4ccccc4n(C)c3=O)o2)c(C)n1-c1ccccc1 ZINC001117192404 933878066 /nfs/dbraw/zinc/87/80/66/933878066.db2.gz APTIJVPFXXUNDQ-UHFFFAOYSA-N 0 0 399.454 3.846 20 10 GHCDRN COC(=O)c1ccc([N+](=O)[O-])c(N2CC=C(c3c[nH]c4cc(C)ccc43)CC2)n1 ZINC000561134047 933900124 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GHCDRN CC(C)(C(=O)NCc1cccc(O)c1O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001123978662 935325527 /nfs/dbraw/zinc/32/55/27/935325527.db2.gz XHDFOJQNAZNTJM-MRXNPFEDSA-N 0 0 384.259 3.781 20 10 GHCDRN Cc1ccc(C2=NO[C@H](C(=O)N(C)Cc3ccc(N4CCCC4)cc3)C2)cc1 ZINC001124622100 935429970 /nfs/dbraw/zinc/42/99/70/935429970.db2.gz CDCVAMYNADOGTC-QFIPXVFZSA-N 0 0 377.488 3.747 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC001124835153 935476974 /nfs/dbraw/zinc/47/69/74/935476974.db2.gz DJRNUILUXWBPMU-NHCUHLMSSA-N 0 0 379.460 3.956 20 10 GHCDRN COC1(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCCCCC1 ZINC001125188515 935545364 /nfs/dbraw/zinc/54/53/64/935545364.db2.gz RKHUJVGIYBYILE-IAGOWNOFSA-N 0 0 392.515 3.795 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2cc(C)n(-c3ccc(OC)cc3)n2)cc1 ZINC001125233859 935555682 /nfs/dbraw/zinc/55/56/82/935555682.db2.gz ODZGEKMODBMBDO-UHFFFAOYSA-N 0 0 392.503 3.966 20 10 GHCDRN Cc1cc(C(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c(C)n1-c1ccc(F)cn1 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/nfs/dbraw/zinc/76/13/54/1020761354.db2.gz IMHVXHUKDUKSPW-IAGOWNOFSA-N 0 0 399.514 3.832 20 10 GHCDRN CC(C)c1cnn2cc(C(=O)NCc3cc(Cl)c4cccnc4c3O)cnc12 ZINC001156238419 1032937375 /nfs/dbraw/zinc/93/73/75/1032937375.db2.gz JMWOVWPXLDNDEU-UHFFFAOYSA-N 0 0 395.850 3.690 20 10 GHCDRN COc1ccc(Br)c(C(=O)NCCCSc2nccs2)c1 ZINC000079308286 1020898151 /nfs/dbraw/zinc/89/81/51/1020898151.db2.gz KHDDZTHOYIOFME-UHFFFAOYSA-N 0 0 387.324 3.826 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1 ZINC000193532811 1020936568 /nfs/dbraw/zinc/93/65/68/1020936568.db2.gz LRAFPUVMGUVZOJ-UHFFFAOYSA-N 0 0 380.492 3.764 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1ccc(C)c(O)c1 ZINC000834514176 1021236444 /nfs/dbraw/zinc/23/64/44/1021236444.db2.gz KCVNNYLZVPPYCE-UHFFFAOYSA-N 0 0 398.503 3.632 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(Cc2nc3c(s2)CCC3)CC1 ZINC000834547126 1021262780 /nfs/dbraw/zinc/26/27/80/1021262780.db2.gz ANIYQIAXTVZYGZ-FNORWQNLSA-N 0 0 384.501 3.538 20 10 GHCDRN Cc1ccc(C(=O)NC2(c3ccc(Br)cc3)CCC2)c(O)c1O ZINC001626158226 1021294618 /nfs/dbraw/zinc/29/46/18/1021294618.db2.gz TVNACFRHFPNZFI-UHFFFAOYSA-N 0 0 376.250 3.978 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)NCC(=O)Nc1ccc(OCC)cc1 ZINC000802032145 1021468866 /nfs/dbraw/zinc/46/88/66/1021468866.db2.gz NOWZQMUZHUIFMR-UHFFFAOYSA-N 0 0 399.491 3.741 20 10 GHCDRN CC1(C)SC[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000802661746 1021517143 /nfs/dbraw/zinc/51/71/43/1021517143.db2.gz XEAQSLXBVVUTDH-SNVBAGLBSA-N 0 0 381.133 3.901 20 10 GHCDRN C[C@@H](NCc1nn(C)cc1Br)c1cccc(C(F)(F)F)c1O ZINC000834884417 1021612983 /nfs/dbraw/zinc/61/29/83/1021612983.db2.gz LMBYDIGQLRPWLR-MRVPVSSYSA-N 0 0 378.192 3.758 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834907396 1021664275 /nfs/dbraw/zinc/66/42/75/1021664275.db2.gz QMZBOYKKQKYAOA-BFHYXJOUSA-N 0 0 379.457 3.644 20 10 GHCDRN Cc1cc(C(=O)NCC(C)(C)S(C)(=O)=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000748739211 1021715848 /nfs/dbraw/zinc/71/58/48/1021715848.db2.gz ALIDTYQXSUAXEJ-UHFFFAOYSA-N 0 0 390.549 3.771 20 10 GHCDRN CCOC[C@@H]1CN(Cc2ccc(Cl)cc2O)Cc2ncn(CC3CC3)c21 ZINC001140462636 1021754639 /nfs/dbraw/zinc/75/46/39/1021754639.db2.gz JTJYYYACAHAIOG-INIZCTEOSA-N 0 0 375.900 3.788 20 10 GHCDRN CS(=O)(=O)c1cccc([C@@H]2CCCN(Cc3ccc(Cl)cc3O)C2)c1 ZINC001140464660 1021757540 /nfs/dbraw/zinc/75/75/40/1021757540.db2.gz ZDOXZHMQEGQQCN-OAHLLOKOSA-N 0 0 379.909 3.829 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(c2ccc(CN3Cc4ccncc4C3)cc2)CC1 ZINC001140481389 1021784279 /nfs/dbraw/zinc/78/42/79/1021784279.db2.gz OVMRPVYSKSENSI-UHFFFAOYSA-N 0 0 394.519 3.655 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)[C@H]3COC[C@@H]3c3ccccc3)cc2)CC1 ZINC000826861382 1021806768 /nfs/dbraw/zinc/80/67/68/1021806768.db2.gz FKGVKKBFUZABSP-PKTZIBPZSA-N 0 0 378.516 3.969 20 10 GHCDRN CCOc1ccc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c(O)c1 ZINC000826888807 1021824603 /nfs/dbraw/zinc/82/46/03/1021824603.db2.gz MIGRALLHIOFRBJ-UHFFFAOYSA-N 0 0 380.366 3.808 20 10 GHCDRN Cc1ccc(C)c(N2CCN(Cc3ccc(N4CCOCC4)cc3F)CC2)c1 ZINC001140662391 1022201707 /nfs/dbraw/zinc/20/17/07/1022201707.db2.gz RRRNTDAJPQIOLG-UHFFFAOYSA-N 0 0 383.511 3.601 20 10 GHCDRN Cc1ccc(N2CCN(Cc3ccc(N4CCOCC4)cc3F)CC2)c(C)c1 ZINC001140664027 1022205974 /nfs/dbraw/zinc/20/59/74/1022205974.db2.gz VCKGWQNYBXHXGZ-UHFFFAOYSA-N 0 0 383.511 3.601 20 10 GHCDRN Fc1cc(N2CCOCC2)ccc1CN1CCn2c(-c3ccccc3)cnc2C1 ZINC001140664342 1022209071 /nfs/dbraw/zinc/20/90/71/1022209071.db2.gz FVBIDPRCRPFIAM-UHFFFAOYSA-N 0 0 392.478 3.542 20 10 GHCDRN COC(=O)c1sc2c(c1Br)CN(Cc1cc(F)ccc1O)C2 ZINC000827862543 1022353157 /nfs/dbraw/zinc/35/31/57/1022353157.db2.gz IPPSONMOXJFXSV-UHFFFAOYSA-N 0 0 386.242 3.658 20 10 GHCDRN CO[C@H]1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@H]1C ZINC000835752767 1022353393 /nfs/dbraw/zinc/35/33/93/1022353393.db2.gz GOPGWZUBMBNLOQ-BEFAXECRSA-N 0 0 380.448 3.924 20 10 GHCDRN COC(=O)c1cccc(CN(C)c2cc(OC)c(OC)c(OC)c2)c1Cl ZINC000827884119 1022365769 /nfs/dbraw/zinc/36/57/69/1022365769.db2.gz ZTEQUFOQLCIVIJ-UHFFFAOYSA-N 0 0 379.840 3.789 20 10 GHCDRN Cc1ccc(OC[C@@H](C)NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000726244723 1022408858 /nfs/dbraw/zinc/40/88/58/1022408858.db2.gz FODZCJMWADRQMF-RTBURBONSA-N 0 0 397.519 3.659 20 10 GHCDRN O=C(Cc1ccc2c(c1)COC2)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000754136607 1022504436 /nfs/dbraw/zinc/50/44/36/1022504436.db2.gz LHCPGGXKBBIYNH-UHFFFAOYSA-N 0 0 383.403 3.673 20 10 GHCDRN COc1ccc(N2CCN([C@@H](C)C(=O)Nc3c(C)cccc3Cl)CC2)cc1 ZINC000754322917 1022619811 /nfs/dbraw/zinc/61/98/11/1022619811.db2.gz MWRCIRQZHMCIFS-INIZCTEOSA-N 0 0 387.911 3.806 20 10 GHCDRN COCCOc1ccc(N2CCN(Cc3ccc(OC)cc3Cl)CC2)cc1 ZINC001140822691 1022630806 /nfs/dbraw/zinc/63/08/06/1022630806.db2.gz FCWPIUFQXMXFRQ-UHFFFAOYSA-N 0 0 390.911 3.696 20 10 GHCDRN CCN(CC)c1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@H](F)C2)c(O)c1 ZINC001140850411 1022695950 /nfs/dbraw/zinc/69/59/50/1022695950.db2.gz KSYTYCFQYQOCLK-QGZVFWFLSA-N 0 0 395.519 3.629 20 10 GHCDRN CCN(CC)c1ccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](F)C2)c(O)c1 ZINC001140850949 1022697421 /nfs/dbraw/zinc/69/74/21/1022697421.db2.gz WRGCPCBFUXLATO-QZTJIDSGSA-N 0 0 395.519 3.676 20 10 GHCDRN CCN(CC)c1ccc(CN2CCN(C(=O)c3cccc(C)c3)CC2)c(O)c1 ZINC001140855211 1022710158 /nfs/dbraw/zinc/71/01/58/1022710158.db2.gz RPEJCSGEXAAICJ-UHFFFAOYSA-N 0 0 381.520 3.505 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCCCC(C)(F)F)cc2F)C[C@H](C)O1 ZINC000836242764 1022760879 /nfs/dbraw/zinc/76/08/79/1022760879.db2.gz YFDSLBHIIHHIGW-OKILXGFUSA-N 0 0 387.446 3.674 20 10 GHCDRN CN(C)c1ccc(CN2CCn3c(CCc4ccccc4)nnc3C2)c(Cl)c1 ZINC001140927574 1022903920 /nfs/dbraw/zinc/90/39/20/1022903920.db2.gz WDRPTPWWIYKMID-UHFFFAOYSA-N 0 0 395.938 3.799 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H](C4CCOCC4)C3)c2C)cc1 ZINC000754893226 1022954387 /nfs/dbraw/zinc/95/43/87/1022954387.db2.gz XUCPRTJIWBKXBV-IBGZPJMESA-N 0 0 382.504 3.991 20 10 GHCDRN Cc1ccc(CN2[C@H]3C[C@@H]([C@H]2C(F)(F)F)N(C(=O)OC(C)(C)C)C3)c(O)c1 ZINC001140947782 1022964036 /nfs/dbraw/zinc/96/40/36/1022964036.db2.gz FRVQAOZNFPKZQB-DZKIICNBSA-N 0 0 386.414 3.825 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CC34CCOCC4)cc2Cl)C1 ZINC000836445672 1022978159 /nfs/dbraw/zinc/97/81/59/1022978159.db2.gz YJNYWDLUVDGQHR-KXBFYZLASA-N 0 0 391.943 3.945 20 10 GHCDRN COCCN(Cc1ccc2c(c1)OCO2)Cc1c(O)cccc1Br ZINC001204807513 1033099701 /nfs/dbraw/zinc/09/97/01/1033099701.db2.gz MGOSVDKPRWUTDC-UHFFFAOYSA-N 0 0 394.265 3.532 20 10 GHCDRN CO[C@@H]1CC[C@@H]2OCCN(CC(=O)c3cc(C)n(-c4ccccc4)c3C)[C@@H]2C1 ZINC000755052231 1023046703 /nfs/dbraw/zinc/04/67/03/1023046703.db2.gz DSFSKXVKCKUWFG-LSWJPFSZSA-N 0 0 382.504 3.545 20 10 GHCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc3nccnc32)cc1 ZINC000755201545 1023122525 /nfs/dbraw/zinc/12/25/25/1023122525.db2.gz GZNLLWZNMFYLAL-LJQANCHMSA-N 0 0 390.487 3.517 20 10 GHCDRN COC[C@H](CNC(=O)N[C@H](C)c1cc(OC)ccc1O)c1ccc(Cl)cc1 ZINC000836583736 1023145609 /nfs/dbraw/zinc/14/56/09/1023145609.db2.gz RBMIDPZOMZJPOB-HIFRSBDPSA-N 0 0 392.883 3.845 20 10 GHCDRN CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)NCc2ccccc2O)cc1 ZINC000755286260 1023171764 /nfs/dbraw/zinc/17/17/64/1023171764.db2.gz WGSOHUZBSHZJMW-UHFFFAOYSA-N 0 0 385.464 3.781 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3cc(F)cc(F)c3F)CC2)cc1F ZINC000836661223 1023222061 /nfs/dbraw/zinc/22/20/61/1023222061.db2.gz FNCOYLLIZRFXSY-UHFFFAOYSA-N 0 0 383.345 3.606 20 10 GHCDRN C[C@H](NC(=O)N[C@H](c1ccccc1)C(F)F)c1ccc(N2CCOCC2)cc1 ZINC000836667861 1023232187 /nfs/dbraw/zinc/23/21/87/1023232187.db2.gz LKMXFSDDRZHKCM-HNAYVOBHSA-N 0 0 389.446 3.890 20 10 GHCDRN Cc1ccc(NC(=O)NCc2ccccc2O)cc1S(=O)(=O)C1CCCC1 ZINC000836672227 1023235469 /nfs/dbraw/zinc/23/54/69/1023235469.db2.gz NBLFCXYJCZPFMY-UHFFFAOYSA-N 0 0 388.489 3.739 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCC[C@H](C)C1 ZINC000836671668 1023236477 /nfs/dbraw/zinc/23/64/77/1023236477.db2.gz ZKXBIGTWERGWEI-BQFCYCMXSA-N 0 0 391.531 3.801 20 10 GHCDRN O=C(NCc1ccccc1O)Nc1cccc(S(=O)(=O)C2CCCCC2)c1 ZINC000836673368 1023237429 /nfs/dbraw/zinc/23/74/29/1023237429.db2.gz PLVFOCJCPCYFTN-UHFFFAOYSA-N 0 0 388.489 3.820 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H](c1nccs1)C(F)(F)F ZINC000836692406 1023260006 /nfs/dbraw/zinc/26/00/06/1023260006.db2.gz HOWVHKWZJWXTMI-AWEZNQCLSA-N 0 0 384.427 3.846 20 10 GHCDRN Cc1nc(NC(=O)NCc2ccc(N3CCCC3)cc2)ccc1-c1cnn(C)c1 ZINC000836704538 1023275623 /nfs/dbraw/zinc/27/56/23/1023275623.db2.gz HAAQXLQWOCZLQZ-UHFFFAOYSA-N 0 0 390.491 3.712 20 10 GHCDRN COc1ccc([C@@H]2CSCCN2Cc2c(O)cc(OC)cc2OC)cc1 ZINC001141028518 1023276739 /nfs/dbraw/zinc/27/67/39/1023276739.db2.gz RWVMIKNQFOPCLW-SFHVURJKSA-N 0 0 375.490 3.708 20 10 GHCDRN COc1cc(O)c(CN2CCO[C@@](C)(c3ccc(Cl)cc3)C2)c(OC)c1 ZINC001141029559 1023281754 /nfs/dbraw/zinc/28/17/54/1023281754.db2.gz VXFDZQAEVNHIQK-HXUWFJFHSA-N 0 0 377.868 3.810 20 10 GHCDRN Cc1csc([C@@H](NC(=O)NCCCSc2nccs2)C(F)(F)F)n1 ZINC000836707894 1023284168 /nfs/dbraw/zinc/28/41/68/1023284168.db2.gz SFJXKPXGYSXWMC-SECBINFHSA-N 0 0 396.485 3.993 20 10 GHCDRN CC(C)Oc1cccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000836729340 1023313980 /nfs/dbraw/zinc/31/39/80/1023313980.db2.gz UFYAKJLRLQRRTL-UHFFFAOYSA-N 0 0 383.492 3.974 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](C)c2ccc([S@](C)=O)cc2)c(C)n1-c1ccccn1 ZINC000756041873 1023492740 /nfs/dbraw/zinc/49/27/40/1023492740.db2.gz MBLVTAQXSAWKGV-QZXCRCNTSA-N 0 0 381.501 3.718 20 10 GHCDRN CC[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCO1 ZINC000756107871 1023524521 /nfs/dbraw/zinc/52/45/21/1023524521.db2.gz FKHHQMSPKUDFSL-JLSDUUJJSA-N 0 0 397.466 3.514 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2CCO[C@H](c3ccnn3C)C2)c(C)n1-c1ccc(F)cc1 ZINC000836975248 1023536996 /nfs/dbraw/zinc/53/69/96/1023536996.db2.gz PLNWXXOGJSPAGZ-UTKZUKDTSA-N 0 0 396.466 3.617 20 10 GHCDRN C[C@@H]([NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1)c1cc(F)cc(F)c1[O-] ZINC000756370477 1023612707 /nfs/dbraw/zinc/61/27/07/1023612707.db2.gz IZPDKGVBTPBRKX-BFUOFWGJSA-N 0 0 380.410 3.534 20 10 GHCDRN C[C@H]([NH2+]CCC(=O)NCc1ccccc1)c1cc(Br)c(F)cc1[O-] ZINC000756507598 1023690569 /nfs/dbraw/zinc/69/05/69/1023690569.db2.gz CYSCWANWWBSANM-LBPRGKRZSA-N 0 0 395.272 3.651 20 10 GHCDRN COc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1Br ZINC000756525960 1023697856 /nfs/dbraw/zinc/69/78/56/1023697856.db2.gz OOLOOQVMDUXCGZ-SNVBAGLBSA-N 0 0 381.226 3.922 20 10 GHCDRN CO[C@H](C)CC[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000756528638 1023700079 /nfs/dbraw/zinc/70/00/79/1023700079.db2.gz OFMCKUHQYSAVQC-RKDXNWHRSA-N 0 0 381.108 3.993 20 10 GHCDRN C[C@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1cc(Br)cc(F)c1[O-] ZINC000756649351 1023753594 /nfs/dbraw/zinc/75/35/94/1023753594.db2.gz PAUYBCLLKZJMAA-VIFPVBQESA-N 0 0 389.265 3.564 20 10 GHCDRN COC(=O)c1ccc(O)c([C@@H](C)N[C@H](C)c2noc(Cc3ccccc3)n2)c1 ZINC000756648845 1023753629 /nfs/dbraw/zinc/75/36/29/1023753629.db2.gz LKXLHTYMUVMJNA-ZIAGYGMSSA-N 0 0 381.432 3.564 20 10 GHCDRN Cc1cc(CCNC(=O)N2CC[C@H](c3nccn3C)C2)c(C)n1-c1ccccc1 ZINC000756655900 1023757423 /nfs/dbraw/zinc/75/74/23/1023757423.db2.gz DMQSVBKPKZDESA-FQEVSTJZSA-N 0 0 391.519 3.569 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1cc(Br)cc(F)c1[O-] ZINC000756660202 1023760173 /nfs/dbraw/zinc/76/01/73/1023760173.db2.gz KZZQROARMRNYSI-MEDUHNTESA-N 0 0 393.256 3.750 20 10 GHCDRN C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1ccc([S@@](C)=O)cc1 ZINC000756724879 1023789956 /nfs/dbraw/zinc/78/99/56/1023789956.db2.gz OAEBKTPOCHOIAD-PGGUUEOZSA-N 0 0 386.517 3.569 20 10 GHCDRN C[C@H]([NH2+][C@@H](CCO)C1CC1)c1cc(Br)cc(Br)c1[O-] ZINC000756740691 1023795423 /nfs/dbraw/zinc/79/54/23/1023795423.db2.gz SPEQSALJVAXIFR-SDBXPKJASA-N 0 0 393.119 3.729 20 10 GHCDRN C[C@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000756758134 1023802769 /nfs/dbraw/zinc/80/27/69/1023802769.db2.gz RVVZNMHOOQJBDR-JTQLQIEISA-N 0 0 386.300 3.880 20 10 GHCDRN C[C@H]([NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000756835665 1023829241 /nfs/dbraw/zinc/82/92/41/1023829241.db2.gz QKWUMHNYPIFNKT-GLZQIGESSA-N 0 0 375.337 3.856 20 10 GHCDRN COCC1([NH2+][C@H](C)c2cc(Br)cc(Br)c2[O-])CC1 ZINC000756849984 1023834397 /nfs/dbraw/zinc/83/43/97/1023834397.db2.gz IDSQMTDKEALJSX-MRVPVSSYSA-N 0 0 379.092 3.747 20 10 GHCDRN C[C@H](Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1)c1cc(F)cc(F)c1O ZINC000756851795 1023834879 /nfs/dbraw/zinc/83/48/79/1023834879.db2.gz VHQZSMDUGCOAKR-RYUDHWBXSA-N 0 0 387.390 3.635 20 10 GHCDRN O=C(NCCCSc1nccs1)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000756988781 1023899073 /nfs/dbraw/zinc/89/90/73/1023899073.db2.gz CSZQQXQUCOLKMO-UHFFFAOYSA-N 0 0 378.910 3.894 20 10 GHCDRN CC[C@@H](C)c1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1CC1CC1 ZINC000830831571 1024175365 /nfs/dbraw/zinc/17/53/65/1024175365.db2.gz OLBQQLWKMGZWBT-OAHLLOKOSA-N 0 0 387.503 3.676 20 10 GHCDRN O=C(c1cccc(-c2cnco2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000830899609 1024227674 /nfs/dbraw/zinc/22/76/74/1024227674.db2.gz ICIXMVFOZRXEBK-IBGZPJMESA-N 0 0 378.428 3.869 20 10 GHCDRN O=C(c1ccc(F)c2ccncc12)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000830899493 1024227711 /nfs/dbraw/zinc/22/77/11/1024227711.db2.gz FOCVPNKSMZELHJ-INIZCTEOSA-N 0 0 380.419 3.901 20 10 GHCDRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)NCc1ccc(N)cc1 ZINC000837303068 1024328433 /nfs/dbraw/zinc/32/84/33/1024328433.db2.gz SLRVTHCFLZZDEH-UHFFFAOYSA-N 0 0 376.504 3.688 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCc1cc(F)cnc1Cl ZINC001228965115 1033204721 /nfs/dbraw/zinc/20/47/21/1033204721.db2.gz QMOHAVPTFBHRMJ-UHFFFAOYSA-N 0 0 376.863 3.816 20 10 GHCDRN COc1ccc2onc(C(=O)n3c(=N)ccc(/N=N/c4ccccc4)c3N)c2c1 ZINC001156720988 1033204901 /nfs/dbraw/zinc/20/49/01/1033204901.db2.gz UPOVPKXDNAZZRO-RICCLWDESA-N 0 0 388.387 3.803 20 10 GHCDRN C[C@H](CC(F)(F)F)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000837354845 1024373980 /nfs/dbraw/zinc/37/39/80/1024373980.db2.gz RIOWYPIKOVVCPS-JHJVBQTASA-N 0 0 376.394 3.644 20 10 GHCDRN Cc1cc(Br)c(C(=O)NCc2ccc(N3CCOCC3)cc2)s1 ZINC000837359416 1024379097 /nfs/dbraw/zinc/37/90/97/1024379097.db2.gz JDSNVRHBZOGDAS-UHFFFAOYSA-N 0 0 395.322 3.586 20 10 GHCDRN c1cn2c(n1)CN(Cc1ccc(N3CCCCC3)cc1)C[C@@H](COCC1CC1)C2 ZINC001138216608 1024386360 /nfs/dbraw/zinc/38/63/60/1024386360.db2.gz DHVTUNZCRVMUPE-JOCHJYFZSA-N 0 0 394.563 3.932 20 10 GHCDRN C[C@H](CC(F)(F)F)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000837386950 1024407532 /nfs/dbraw/zinc/40/75/32/1024407532.db2.gz UHTUQAPMGYSHPR-LLVKDONJSA-N 0 0 380.357 3.962 20 10 GHCDRN COCC1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCCC1 ZINC000837439149 1024458290 /nfs/dbraw/zinc/45/82/90/1024458290.db2.gz FHDMGNYFAHBGCE-HNNXBMFYSA-N 0 0 382.451 3.580 20 10 GHCDRN CCc1ocnc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C ZINC000837534895 1024531792 /nfs/dbraw/zinc/53/17/92/1024531792.db2.gz SZVHGSLQBRVPQM-UHFFFAOYSA-N 0 0 387.823 3.733 20 10 GHCDRN C[C@H](NC(=O)c1c(Br)nc2n1CCCC2)c1ccc(N(C)C)cc1 ZINC000837544031 1024540504 /nfs/dbraw/zinc/54/05/04/1024540504.db2.gz ZZAXQLZZBMEZIU-LBPRGKRZSA-N 0 0 391.313 3.539 20 10 GHCDRN Cc1ccccc1-c1nc(CNC(=O)NCc2ccc(N3CCCC3)cc2)no1 ZINC000837625501 1024594564 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CCOc1ccc(N2CCN(C(=O)Cc3ccc(OC(F)F)cc3)CC2)cc1 ZINC001323039194 1056912339 /nfs/dbraw/zinc/91/23/39/1056912339.db2.gz PTMHOGWDMQZOMI-UHFFFAOYSA-N 0 0 390.430 3.578 20 10 GHCDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1c2nonc2ccc1Cl ZINC001323415994 1056966993 /nfs/dbraw/zinc/96/69/93/1056966993.db2.gz BSYTXEVCBCLHHT-UHFFFAOYSA-N 0 0 385.138 3.758 20 10 GHCDRN Cc1ccc(-c2nnc(NCc3ccc(N4CCN(C)CC4)c(F)c3)o2)c(C)c1 ZINC001324001745 1057053363 /nfs/dbraw/zinc/05/33/63/1057053363.db2.gz TVXLVVZYQJIVBP-UHFFFAOYSA-N 0 0 395.482 3.856 20 10 GHCDRN Cc1cc(C)c(N2C[C@H](C(=O)Nc3c4nonc4ccc3Cl)CC2=O)c(C)c1 ZINC001324142280 1057078182 /nfs/dbraw/zinc/07/81/82/1057078182.db2.gz ZHVPOKCZOWJWKE-CYBMUJFWSA-N 0 0 398.850 3.793 20 10 GHCDRN CCOc1ccc(N2CCN([C@@H](C)C(=O)Nc3cc(F)ccc3F)CC2)cc1 ZINC001324466546 1057141340 /nfs/dbraw/zinc/14/13/40/1057141340.db2.gz HIIKQXFZPRWDAK-HNNXBMFYSA-N 0 0 389.446 3.513 20 10 GHCDRN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)[C@H](O)c2ccccc2)c1O ZINC000848550061 1057171813 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ZNWFQRZNWOWPOH-XPNTWCBSSA-N 0 0 382.504 3.859 20 10 GHCDRN O=C1C=CSC1c1nnc(N2CCC3(CCO3)CC2)n1Cc1ccccc1 ZINC001340805349 1060142263 /nfs/dbraw/zinc/14/22/63/1060142263.db2.gz DRHGVIUULHYJGJ-UHFFFAOYSA-N 0 0 382.489 3.520 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3c(F)cccc3F)CC2)cc1 ZINC001340945442 1060273350 /nfs/dbraw/zinc/27/33/50/1060273350.db2.gz NCLKTUHXDBNVHW-ZWKOTPCHSA-N 0 0 386.442 3.816 20 10 GHCDRN Cc1nc2cc(C(=O)NCc3ccc(O)cc3O)ccc2n1Cc1ccsc1 ZINC001451765086 1060831737 /nfs/dbraw/zinc/83/17/37/1060831737.db2.gz FQRDKPVLZZYWHE-UHFFFAOYSA-N 0 0 393.468 3.796 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)Cc1ccc(Cl)cc1Cl ZINC001451907261 1060859721 /nfs/dbraw/zinc/85/97/21/1060859721.db2.gz VIPXNPAPLOOUJN-UHFFFAOYSA-N 0 0 396.270 3.833 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CCC(=O)CC(C)(C)C2)CCCC1 ZINC001453408631 1061124903 /nfs/dbraw/zinc/12/49/03/1061124903.db2.gz FQGMCBRHKPOVOA-UHFFFAOYSA-N 0 0 382.504 3.746 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N3NC(=O)C[C@]34CCCC[C@@H]4C)c2C)cc1 ZINC001453431048 1061127720 /nfs/dbraw/zinc/12/77/20/1061127720.db2.gz ZDNAGMFXIOWNQL-WNSKOXEYSA-N 0 0 395.503 3.929 20 10 GHCDRN Cc1cc(N(C)C)ccc1Cn1c(C2CCC2)nnc1N(C)C[C@H]1CCCCO1 ZINC001361097469 1061595884 /nfs/dbraw/zinc/59/58/84/1061595884.db2.gz BVAKMEGBYOUSGB-OAQYLSRUSA-N 0 0 397.567 3.974 20 10 GHCDRN Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCCO2)nnc1N(C)CC(F)(F)F ZINC001361098272 1061597810 /nfs/dbraw/zinc/59/78/10/1061597810.db2.gz PUEHZSMVPUAWMT-MRXNPFEDSA-N 0 0 397.445 3.551 20 10 GHCDRN Cc1nnc(N(C)Cc2cc(Cl)ccn2)n1Cc1ccc2c(c1)CCCN2C ZINC001492779624 1061916749 /nfs/dbraw/zinc/91/67/49/1061916749.db2.gz LGCNTCXERWTNFV-UHFFFAOYSA-N 0 0 396.926 3.702 20 10 GHCDRN Cc1nnc(N(C)C[C@@H]2CC=CCC2)n1Cc1ccc(N2CCSCC2)cc1 ZINC001492783932 1061921748 /nfs/dbraw/zinc/92/17/48/1061921748.db2.gz MQMXZNSIDWMTTB-LJQANCHMSA-N 0 0 397.592 3.981 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc(-c2cnoc2-c2ccoc2)n1CC1CC1 ZINC001346900918 1061971334 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399.329 3.590 20 10 GHCDRN CCC(CC)n1nc(C(=O)NCc2cccc(Br)c2O)cc1C ZINC000765736100 860527508 /nfs/dbraw/zinc/52/75/08/860527508.db2.gz LLVXOKHWAPKSFW-UHFFFAOYSA-N 0 0 380.286 3.951 20 10 GHCDRN O=C(CCCn1cnc2ccccc21)NCc1cccc(Br)c1O ZINC000765747160 860560087 /nfs/dbraw/zinc/56/00/87/860560087.db2.gz MXXSHWDSACEKFB-UHFFFAOYSA-N 0 0 388.265 3.601 20 10 GHCDRN CC(C)n1cnnc1C1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000896242921 860563049 /nfs/dbraw/zinc/56/30/49/860563049.db2.gz ZIWSOKQMGMVLCP-UHFFFAOYSA-N 0 0 386.477 3.505 20 10 GHCDRN COc1ccccc1C/C(C)=C\C(=O)NCc1cccc(Br)c1O ZINC000765750888 860565526 /nfs/dbraw/zinc/56/55/26/860565526.db2.gz NHSSGDLVPPFXLI-QBFSEMIESA-N 0 0 390.277 3.969 20 10 GHCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCc1ccc(F)cc1Cl ZINC000761301494 860686693 /nfs/dbraw/zinc/68/66/93/860686693.db2.gz GIIRWZKILFIAAT-UHFFFAOYSA-N 0 0 397.233 3.845 20 10 GHCDRN CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3cc(C)cc(Br)c3[O-])C2)n1 ZINC000922863454 860688635 /nfs/dbraw/zinc/68/86/35/860688635.db2.gz 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ZINC000185569935 860989319 /nfs/dbraw/zinc/98/93/19/860989319.db2.gz MBRNDJJUHYLKLV-UHFFFAOYSA-N 0 0 390.487 3.588 20 10 GHCDRN Cc1cc(C(=O)OC[C@@H]2COC(=O)O2)c(C)n1-c1ccccc1Br ZINC000763938253 861019889 /nfs/dbraw/zinc/01/98/89/861019889.db2.gz IJXOBVRGFHAOMF-GFCCVEGCSA-N 0 0 394.221 3.549 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCCC2(CC2)C1 ZINC000185592857 861037148 /nfs/dbraw/zinc/03/71/48/861037148.db2.gz RMYGOYCZJJCUDX-UHFFFAOYSA-N 0 0 397.441 3.628 20 10 GHCDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NCc1ccc(N(C)C)cc1)O[C@@H](C)C2 ZINC000730470140 861127504 /nfs/dbraw/zinc/12/75/04/861127504.db2.gz YRAXNHCFGXNTLF-PAXLWEDBSA-N 0 0 394.515 3.895 20 10 GHCDRN COc1ccc2[nH]cc(CCNC(=O)NCc3ccc4c(c3)CCCN4C)c2c1 ZINC000733644313 863093780 /nfs/dbraw/zinc/09/37/80/863093780.db2.gz AZHBBBOJSYCKSF-UHFFFAOYSA-N 0 0 392.503 3.601 20 10 GHCDRN COc1ccc(O)c(CNC(=O)N[C@H](C)Cc2cccc(Br)c2)c1 ZINC000172072456 863200474 /nfs/dbraw/zinc/20/04/74/863200474.db2.gz DHIDAJDWWVIODN-GFCCVEGCSA-N 0 0 393.281 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/nfs/dbraw/zinc/67/86/69/881678669.db2.gz NBZFIUXHZVNQLE-NSHDSACASA-N 0 0 384.354 3.860 20 10 GHCDRN Cn1cc(/C=C2/SC(=S)N([C@@H]3CCc4ccccc4C3)C2=O)c(Cl)n1 ZINC000856719736 881685104 /nfs/dbraw/zinc/68/51/04/881685104.db2.gz WSJHGBYRLYFDFK-UWZYDCLUSA-N 0 0 389.933 3.832 20 10 GHCDRN COc1ccc(CNC(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)c(O)c1 ZINC000792808423 881699857 /nfs/dbraw/zinc/69/98/57/881699857.db2.gz GWBJNGHXYGXYIY-UHFFFAOYSA-N 0 0 397.406 3.727 20 10 GHCDRN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCCCSc2nccs2)cc1 ZINC000733972106 863895210 /nfs/dbraw/zinc/89/52/10/863895210.db2.gz LDSDRKJMFCRMMX-SWLSCSKDSA-N 0 0 375.519 3.650 20 10 GHCDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NCc1cc(OC)ccc1O)O[C@@H](C)C2 ZINC000734015089 863925808 /nfs/dbraw/zinc/92/58/08/863925808.db2.gz YTNGIZIKRAHFLU-SOVGHPHASA-N 0 0 397.471 3.543 20 10 GHCDRN COc1ccc(O)c(CNC(=O)Nc2ccc(Sc3ncccn3)cc2C)c1 ZINC000734062263 863959760 /nfs/dbraw/zinc/95/97/60/863959760.db2.gz OIKZSNVBXWYRMK-UHFFFAOYSA-N 0 0 396.472 3.972 20 10 GHCDRN COc1ccc(O)c(CNC(=O)NCc2nc3cc(Cl)ccc3s2)c1 ZINC000734068160 863965870 /nfs/dbraw/zinc/96/58/70/863965870.db2.gz USZURCPZHXQLLK-UHFFFAOYSA-N 0 0 377.853 3.663 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)c(C)n1-c1cccc(C)c1 ZINC000734144728 864032133 /nfs/dbraw/zinc/03/21/33/864032133.db2.gz XWDGNYIAOBSRPD-MOPGFXCFSA-N 0 0 381.520 3.779 20 10 GHCDRN CC(C)(C)[C@@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000792835015 881721897 /nfs/dbraw/zinc/72/18/97/881721897.db2.gz JWZBVBTXGCUBHC-QGZVFWFLSA-N 0 0 377.504 3.630 20 10 GHCDRN COc1ccc(O)c(CNC(=O)N[C@H](C)Cc2ccc(Br)cc2)c1 ZINC000114589558 881724978 /nfs/dbraw/zinc/72/49/78/881724978.db2.gz SQEALGCUBNTNCE-GFCCVEGCSA-N 0 0 393.281 3.594 20 10 GHCDRN COc1ccc2c(c1)c1c(n2Cc2nc(-c3ccc[nH]c3=O)no2)CCCC1 ZINC000896953631 864140236 /nfs/dbraw/zinc/14/02/36/864140236.db2.gz OZRWZZSGROKKIV-UHFFFAOYSA-N 0 0 376.416 3.728 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(I)c1 ZINC000734402045 864196815 /nfs/dbraw/zinc/19/68/15/864196815.db2.gz DPLNWJBKKOSIHA-UHFFFAOYSA-N 0 0 394.256 3.596 20 10 GHCDRN Cc1nc(-c2cnn(C)c2)sc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000734429460 864215425 /nfs/dbraw/zinc/21/54/25/864215425.db2.gz KEZQRIGWLUWJOL-UHFFFAOYSA-N 0 0 395.532 3.772 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1cc(Cl)sc1Cl ZINC000734501078 864256069 /nfs/dbraw/zinc/25/60/69/864256069.db2.gz CZWJNBBVMKZKBH-UHFFFAOYSA-N 0 0 379.334 3.908 20 10 GHCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000173022240 864260017 /nfs/dbraw/zinc/26/00/17/864260017.db2.gz NETSRLCICZKQBN-AWEZNQCLSA-N 0 0 391.374 3.595 20 10 GHCDRN COCc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000173022768 864268451 /nfs/dbraw/zinc/26/84/51/864268451.db2.gz MNNQCBXITCOOER-QGZVFWFLSA-N 0 0 390.430 3.833 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccccc1OC(F)(F)F ZINC000734516668 864272084 /nfs/dbraw/zinc/27/20/84/864272084.db2.gz ITTWYGBWNWBYSX-UHFFFAOYSA-N 0 0 381.398 3.959 20 10 GHCDRN C[C@@H](CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C(C)(C)C ZINC000734524395 864276778 /nfs/dbraw/zinc/27/67/78/864276778.db2.gz AXYDWOMNDOJMOF-ARFHVFGLSA-N 0 0 379.520 3.921 20 10 GHCDRN COc1ccc(CNC(=O)N[C@@H](C)Cc2ccc(Br)cc2)c(O)c1 ZINC000792844640 881750622 /nfs/dbraw/zinc/75/06/22/881750622.db2.gz WQBRBALQAHPEOW-LBPRGKRZSA-N 0 0 393.281 3.594 20 10 GHCDRN O[C@H](COC[C@@H]1CCCO1)CN1CCCc2cc(OCc3ccccc3)ccc21 ZINC000734641640 864362263 /nfs/dbraw/zinc/36/22/63/864362263.db2.gz ZYLJNCBYRPIXJW-GMAHTHKFSA-N 0 0 397.515 3.575 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1 ZINC000734649415 864367421 /nfs/dbraw/zinc/36/74/21/864367421.db2.gz GCFQFNNWPGOVQU-GOSISDBHSA-N 0 0 396.535 3.776 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)CCNc2cc(Cl)ccc2OC)c1 ZINC000173131256 864425209 /nfs/dbraw/zinc/42/52/09/864425209.db2.gz TXJIRFHBHNCBOG-LBPRGKRZSA-N 0 0 378.856 3.742 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(Br)cnc1Cl ZINC000173196794 864447734 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CC(C)c1cc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)n(C)n1 ZINC000173384967 864658778 /nfs/dbraw/zinc/65/87/78/864658778.db2.gz LPGYULGVZJQYTQ-UHFFFAOYSA-N 0 0 382.430 3.814 20 10 GHCDRN CC(C)(C)Oc1ccccc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000173394305 864701734 /nfs/dbraw/zinc/70/17/34/864701734.db2.gz BOQLJXNGQBGEAS-UHFFFAOYSA-N 0 0 396.487 3.703 20 10 GHCDRN CS[C@@H]1CCC[C@@H](NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000735384650 864764954 /nfs/dbraw/zinc/76/49/54/864764954.db2.gz UWZBVSVZZBENOD-KVSKMBFKSA-N 0 0 377.554 3.558 20 10 GHCDRN O=C(CCc1nc2ccccc2o1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000735517715 864823685 /nfs/dbraw/zinc/82/36/85/864823685.db2.gz NBXMHQLLCBNXPK-QGZVFWFLSA-N 0 0 380.444 3.674 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1SCCc2ccccc21 ZINC000173586899 864906457 /nfs/dbraw/zinc/90/64/57/864906457.db2.gz KCJQPTKRCMMVKB-JOCHJYFZSA-N 0 0 396.556 3.542 20 10 GHCDRN C[C@H](CCc1ccccc1F)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000173586806 864906693 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COc1ccc([C@@H](OC)[C@H](C)NC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000771941048 875562423 /nfs/dbraw/zinc/56/24/23/875562423.db2.gz QADQTELJTAEAEU-JTSKRJEESA-N 0 0 397.519 3.871 20 10 GHCDRN COc1sc(/C=C2\SC(=S)N(C3CC3)C2=O)cc1Br ZINC000746523887 875634951 /nfs/dbraw/zinc/63/49/51/875634951.db2.gz ZTGVWGFBDWUTLF-UITAMQMPSA-N 0 0 376.322 3.883 20 10 GHCDRN CC(C)c1ccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cn1 ZINC000772056295 875637739 /nfs/dbraw/zinc/63/77/39/875637739.db2.gz HLIDMCNOJGNSOO-HZPDHXFCSA-N 0 0 385.483 3.888 20 10 GHCDRN COc1ccc([C@@H](OC)[C@@H](C)NC(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000772076356 875655643 /nfs/dbraw/zinc/65/56/43/875655643.db2.gz RHEOZOIBEKKTRF-ZHRRBRCNSA-N 0 0 397.519 3.653 20 10 GHCDRN O=C1[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CCN1c1ccc(C(F)(F)F)cc1 ZINC000776186397 875694150 /nfs/dbraw/zinc/69/41/50/875694150.db2.gz YCOLKTJWKUTIOT-HNNXBMFYSA-N 0 0 384.785 3.960 20 10 GHCDRN COc1ccc([C@H]2NC(=O)N(c3cc(Cl)c(N)c(Cl)c3)C2=O)cc1F ZINC000772119655 875708459 /nfs/dbraw/zinc/70/84/59/875708459.db2.gz GBKNGCONXJJPOR-CQSZACIVSA-N 0 0 384.194 3.521 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)Nc2cccc(C(N)=O)n2)cc1 ZINC000772140153 875724680 /nfs/dbraw/zinc/72/46/80/875724680.db2.gz FJFCEQLJMFZBLJ-UHFFFAOYSA-N 0 0 388.431 3.914 20 10 GHCDRN CCc1nncn1CCNC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000772154742 875750387 /nfs/dbraw/zinc/75/03/87/875750387.db2.gz VLWUAWADXFDVPG-UHFFFAOYSA-N 0 0 391.479 3.752 20 10 GHCDRN CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cc(C)n(-c3ccccc3C)c1C)CC2 ZINC000151697981 875784758 /nfs/dbraw/zinc/78/47/58/875784758.db2.gz PSQQWVSJSHVFFD-VXKWHMMOSA-N 0 0 396.531 3.795 20 10 GHCDRN COc1ccc(O)c(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)c(C)c2)c1 ZINC000772454455 875946431 /nfs/dbraw/zinc/94/64/31/875946431.db2.gz MZZIQXKZLAZMTC-UHFFFAOYSA-N 0 0 386.448 3.986 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)C2CC2)cc1 ZINC000772463220 875974019 /nfs/dbraw/zinc/97/40/19/875974019.db2.gz MFGWPMRDTRGZRD-SFHVURJKSA-N 0 0 392.503 3.553 20 10 GHCDRN O=C(NCCCSc1nccs1)Nc1cccc(N2CCCCC2=O)c1 ZINC000151824613 875980367 /nfs/dbraw/zinc/98/03/67/875980367.db2.gz DQBUSBDCUIHARV-UHFFFAOYSA-N 0 0 390.534 3.964 20 10 GHCDRN CC[C@H](C)[C@@H](NC(=O)N1CCCN(c2ccc(OC)cc2)CC1)C(F)(F)F ZINC000772522238 875994398 /nfs/dbraw/zinc/99/43/98/875994398.db2.gz GLTYANPPLPFSDF-WMLDXEAASA-N 0 0 387.446 3.894 20 10 GHCDRN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)C1=CC(=O)CS1 ZINC000776245856 876027633 /nfs/dbraw/zinc/02/76/33/876027633.db2.gz IKJSQGDSQUQYQN-CQSZACIVSA-N 0 0 398.322 3.984 20 10 GHCDRN CN1CCO[C@@H]([C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])c2ccc(Cl)cc2)C1 ZINC000776253209 876032807 /nfs/dbraw/zinc/03/28/07/876032807.db2.gz LCZCHLLUNQJHLK-MSOLQXFVSA-N 0 0 399.293 4.000 20 10 GHCDRN O=C(COC(=O)c1cccc(O)c1O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000776284113 876158748 /nfs/dbraw/zinc/15/87/48/876158748.db2.gz SVKXCOJNHHOMEL-UHFFFAOYSA-N 0 0 389.713 3.566 20 10 GHCDRN COc1ncc(/C=C\C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000776311703 876242962 /nfs/dbraw/zinc/24/29/62/876242962.db2.gz SOYIDPBIOBLQSD-DAXSKMNVSA-N 0 0 388.811 3.503 20 10 GHCDRN CN(C)c1ccc(CNC(=O)Cc2ccc(OCc3ccccn3)cc2)cc1 ZINC000151957448 876281612 /nfs/dbraw/zinc/28/16/12/876281612.db2.gz FYYDJSROHXUPOZ-UHFFFAOYSA-N 0 0 375.472 3.586 20 10 GHCDRN CN(c1ccc(CNC(=O)CSc2nncs2)cc1)C1CCCCC1 ZINC000116030169 883016625 /nfs/dbraw/zinc/01/66/25/883016625.db2.gz MJLKGIPMXHOLTD-UHFFFAOYSA-N 0 0 376.551 3.716 20 10 GHCDRN Cc1sc(-c2ccco2)nc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000030569941 876326520 /nfs/dbraw/zinc/32/65/20/876326520.db2.gz YGVIQGQLZHMVCY-UHFFFAOYSA-N 0 0 397.500 3.820 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)c3ccc(C(=O)N(C)C)cc3)cc2)CC1 ZINC000108295044 876451148 /nfs/dbraw/zinc/45/11/48/876451148.db2.gz QZLOXYJQSMXDNX-UHFFFAOYSA-N 0 0 379.504 3.555 20 10 GHCDRN CN(C)c1ccc(CNC(=O)Nc2nnc(Cc3ccccc3F)s2)cc1 ZINC000108526473 876485902 /nfs/dbraw/zinc/48/59/02/876485902.db2.gz TZSDSJJCLSUERH-UHFFFAOYSA-N 0 0 385.468 3.656 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000786165736 876490995 /nfs/dbraw/zinc/49/09/95/876490995.db2.gz XRHHAIGADPKYJX-VQIMIIECSA-N 0 0 389.540 3.747 20 10 GHCDRN C[C@H](NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1ccc(N(C)C)cc1 ZINC000786208547 876528230 /nfs/dbraw/zinc/52/82/30/876528230.db2.gz RRYKHEJIXKIEIF-MPGHIAIKSA-N 0 0 375.513 3.575 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Cc2c(C)nn(C(F)F)c2C)cc1F ZINC000108996601 876549728 /nfs/dbraw/zinc/54/97/28/876549728.db2.gz MLRPYRSSOTZSBJ-UHFFFAOYSA-N 0 0 382.430 3.739 20 10 GHCDRN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CSc1ncc(Cl)s1 ZINC000849998713 876583633 /nfs/dbraw/zinc/58/36/33/876583633.db2.gz RUZXIBHLFWAHPJ-UHFFFAOYSA-N 0 0 386.926 3.955 20 10 GHCDRN C[C@H](Sc1ncc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000849998348 876583798 /nfs/dbraw/zinc/58/37/98/876583798.db2.gz NLDSDJYGFRQNKC-NSHDSACASA-N 0 0 383.926 3.752 20 10 GHCDRN C[C@@H](NC(=O)N1CCN(c2cccc3[nH]ccc32)CC1)c1ccc(N(C)C)cc1 ZINC000858368139 883052509 /nfs/dbraw/zinc/05/25/09/883052509.db2.gz DNZPSLGQDMPXKI-QGZVFWFLSA-N 0 0 391.519 3.827 20 10 GHCDRN CCNC(=O)Nc1ccc(C)c(NC(=O)NCCCSc2nccs2)c1 ZINC000786406997 876675169 /nfs/dbraw/zinc/67/51/69/876675169.db2.gz JCAFXDUMPRNVGV-UHFFFAOYSA-N 0 0 393.538 3.897 20 10 GHCDRN CC[C@@H](NC(=O)NCc1cc(OC)ccc1O)c1nc(C(F)(F)F)cs1 ZINC000174928866 883054682 /nfs/dbraw/zinc/05/46/82/883054682.db2.gz KZQZTSTWIDWWOY-LLVKDONJSA-N 0 0 389.399 3.827 20 10 GHCDRN COc1cccc(CNC(=O)Nc2cc(F)cc(Br)c2F)c1O ZINC000786479690 876707370 /nfs/dbraw/zinc/70/73/70/876707370.db2.gz MMCBPHOCRWSLOZ-UHFFFAOYSA-N 0 0 387.180 3.763 20 10 GHCDRN CC[C@@H](CC1CCCCC1)C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000786655797 876840235 /nfs/dbraw/zinc/84/02/35/876840235.db2.gz IVJCQANGOINBIZ-QFIPXVFZSA-N 0 0 399.579 3.968 20 10 GHCDRN Cc1ccc([C@H](C)NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000786727171 876889903 /nfs/dbraw/zinc/88/99/03/876889903.db2.gz YTBYASBRJICNOA-IBGZPJMESA-N 0 0 393.531 3.821 20 10 GHCDRN C[C@H](NC(=O)C(=O)NCCc1ccc(C(C)(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000786773956 876927347 /nfs/dbraw/zinc/92/73/47/876927347.db2.gz VLKDTAOORGVMHH-KRWDZBQOSA-N 0 0 395.547 3.586 20 10 GHCDRN C[C@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1cc(Br)c(F)cc1[O-] ZINC000850500964 876975253 /nfs/dbraw/zinc/97/52/53/876975253.db2.gz LMJHPWPCBIJRFD-BONVTDFDSA-N 0 0 393.256 3.532 20 10 GHCDRN C[C@@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1cc(Br)cc(F)c1[O-] ZINC000850574334 877039568 /nfs/dbraw/zinc/03/95/68/877039568.db2.gz XMHMAQFAJRCIGW-LLVKDONJSA-N 0 0 387.293 3.770 20 10 GHCDRN Cc1ccc(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1N1CCNC1=O ZINC000786986147 877090638 /nfs/dbraw/zinc/09/06/38/877090638.db2.gz BBBLPGLGTNHKLO-MRXNPFEDSA-N 0 0 398.482 3.673 20 10 GHCDRN Cc1cc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1N ZINC000850779423 877169127 /nfs/dbraw/zinc/16/91/27/877169127.db2.gz SRGWLZVUWFKOQO-UHFFFAOYSA-N 0 0 390.434 3.969 20 10 GHCDRN C[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1cc(Br)cc(F)c1[O-] ZINC000858449706 883104342 /nfs/dbraw/zinc/10/43/42/883104342.db2.gz RPXMLDNVPJODLQ-PELKAZGASA-N 0 0 396.182 3.945 20 10 GHCDRN C[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1cc(Br)c(F)cc1[O-] ZINC000858448781 883104647 /nfs/dbraw/zinc/10/46/47/883104647.db2.gz FUGWQPSCOYILRN-SDBXPKJASA-N 0 0 396.182 3.945 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)cc1F ZINC000175466026 877188149 /nfs/dbraw/zinc/18/81/49/877188149.db2.gz MFZADNPEQXEPTQ-MAUKXSAKSA-N 0 0 391.512 3.751 20 10 GHCDRN Oc1ccccc1CN(C[C@H]1CCCO1)c1ncc(Br)cc1F ZINC000858460114 883116013 /nfs/dbraw/zinc/11/60/13/883116013.db2.gz SXLGJPIQMHJVMA-CQSZACIVSA-N 0 0 381.245 3.874 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cnn(-c2ccncc2)c1C(F)F ZINC000787448607 877409672 /nfs/dbraw/zinc/40/96/72/877409672.db2.gz FGUUOBXJKWLYGO-UHFFFAOYSA-N 0 0 398.413 3.719 20 10 GHCDRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)NCc1cccc(OC)c1O ZINC000787463144 877420887 /nfs/dbraw/zinc/42/08/87/877420887.db2.gz ZJMWYGKCYCWMND-GFCCVEGCSA-N 0 0 394.855 3.790 20 10 GHCDRN CCOC(=O)[C@](C)(C[NH2+]Cc1cccc(Br)c1[O-])c1ccccc1 ZINC000787436938 877423458 /nfs/dbraw/zinc/42/34/58/877423458.db2.gz KRBNPEWWPAZESK-LJQANCHMSA-N 0 0 392.293 3.765 20 10 GHCDRN Cc1ccc(OCCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1C ZINC000109179853 877441938 /nfs/dbraw/zinc/44/19/38/877441938.db2.gz TZUKFIHPZGEXJR-IBGZPJMESA-N 0 0 382.504 3.786 20 10 GHCDRN COc1cccc(C(=O)CCCC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000551598024 877514400 /nfs/dbraw/zinc/51/44/00/877514400.db2.gz ITTPUTZOJOSPGM-UHFFFAOYSA-N 0 0 382.460 3.540 20 10 GHCDRN Cc1cccc(C(C)(C)NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000152352079 877808092 /nfs/dbraw/zinc/80/80/92/877808092.db2.gz QVZPARFTKQGBGB-UHFFFAOYSA-N 0 0 385.483 3.705 20 10 GHCDRN CCn1cc(Br)cc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000110226612 877922446 /nfs/dbraw/zinc/92/24/46/877922446.db2.gz JGVZCLXZILHPFM-UHFFFAOYSA-N 0 0 376.298 3.583 20 10 GHCDRN CC(C)(C)[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1 ZINC000788232325 877968640 /nfs/dbraw/zinc/96/86/40/877968640.db2.gz GJQJQWBZIUYDHE-NRFANRHFSA-N 0 0 391.515 3.583 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(OC(C)C)c3)C2)cc1 ZINC000851963943 878004271 /nfs/dbraw/zinc/00/42/71/878004271.db2.gz SGFNXTRDQNNDAQ-SFHVURJKSA-N 0 0 383.492 3.561 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000851988472 878017199 /nfs/dbraw/zinc/01/71/99/878017199.db2.gz YUPHENWSZPISTG-OAQYLSRUSA-N 0 0 395.503 3.943 20 10 GHCDRN O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000030419025 878054575 /nfs/dbraw/zinc/05/45/75/878054575.db2.gz AFKCEQKGEASRCE-UHFFFAOYSA-N 0 0 384.423 3.784 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCc2cccnc2N2CCCC2)cc1F ZINC000852082916 878067232 /nfs/dbraw/zinc/06/72/32/878067232.db2.gz XVCGCMZJGKCATD-UHFFFAOYSA-N 0 0 399.514 3.667 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3CCCOc4ccc(F)cc43)C2)cc1 ZINC000852110127 878079666 /nfs/dbraw/zinc/07/96/66/878079666.db2.gz KTFUEGJZNLUGQQ-UZLBHIALSA-N 0 0 399.466 3.626 20 10 GHCDRN COc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)c(OCC2CC2)c1 ZINC000788442726 878093429 /nfs/dbraw/zinc/09/34/29/878093429.db2.gz ILPQMHADCQBIJZ-UHFFFAOYSA-N 0 0 382.460 3.573 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCc2ccccc2-n2ccnc21 ZINC000852137898 878095271 /nfs/dbraw/zinc/09/52/71/878095271.db2.gz AJMRHJZAXKTTHW-NRFANRHFSA-N 0 0 399.498 3.735 20 10 GHCDRN COc1ccc(N2CCC(NS(=O)(=O)c3cc(Cl)ccc3C)CC2)cc1 ZINC000110460778 878131774 /nfs/dbraw/zinc/13/17/74/878131774.db2.gz MIKNUTKXJHDDCC-UHFFFAOYSA-N 0 0 394.924 3.604 20 10 GHCDRN COc1ccc(N2CCC(NS(=O)(=O)c3cccc(Cl)c3C)CC2)cc1 ZINC000110463355 878133509 /nfs/dbraw/zinc/13/35/09/878133509.db2.gz BPKOLUJBWHKKRK-UHFFFAOYSA-N 0 0 394.924 3.604 20 10 GHCDRN CCN(C(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O)c1ccc2[nH]ccc2c1 ZINC000788550179 878143296 /nfs/dbraw/zinc/14/32/96/878143296.db2.gz IXVVFAAQYDIITN-YVMONPNESA-N 0 0 389.459 3.853 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3cccc(F)c3F)C2)cc1 ZINC000852235175 878162161 /nfs/dbraw/zinc/16/21/61/878162161.db2.gz VXQWIAJGORBJCS-KBPBESRZSA-N 0 0 375.419 3.613 20 10 GHCDRN C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000788582712 878182915 /nfs/dbraw/zinc/18/29/15/878182915.db2.gz ILFZGBKROHNLID-LBPRGKRZSA-N 0 0 387.423 3.806 20 10 GHCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ccc(C)nc2Cl)cc1 ZINC000788589250 878189044 /nfs/dbraw/zinc/18/90/44/878189044.db2.gz SNBPLSXHYBRLGX-UHFFFAOYSA-N 0 0 381.929 3.710 20 10 GHCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)CCc2ccc(OC)cc2)cc1 ZINC000788588622 878189095 /nfs/dbraw/zinc/18/90/95/878189095.db2.gz MPMOTGUEGYVIBZ-UHFFFAOYSA-N 0 0 390.549 3.546 20 10 GHCDRN Cc1nc(-c2cccc(NC(=O)COC(=O)c3ccc(C)c(O)c3O)c2)cs1 ZINC000110530962 878225686 /nfs/dbraw/zinc/22/56/86/878225686.db2.gz OYCZAFHLNIWMFC-UHFFFAOYSA-N 0 0 398.440 3.634 20 10 GHCDRN CC(C)[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(F)cc1 ZINC000852309919 878227698 /nfs/dbraw/zinc/22/76/98/878227698.db2.gz MYXJVQNWIQGRGR-QFIPXVFZSA-N 0 0 399.510 3.983 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)NCC(C)(C)CC(F)(F)F)C2)cc1 ZINC000852387083 878294909 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O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cccn1Cc1cccs1 ZINC000918324556 893522659 /nfs/dbraw/zinc/52/26/59/893522659.db2.gz HZGJZVKPMUFZAB-UHFFFAOYSA-N 0 0 399.491 3.504 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(N3CCCC3=O)ccc2Cl)c1 ZINC000126487159 893584493 /nfs/dbraw/zinc/58/44/93/893584493.db2.gz OVBMDDDJMMIVAE-GFCCVEGCSA-N 0 0 388.851 3.672 20 10 GHCDRN CCCc1nc(C)c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)o1 ZINC000815258297 893642144 /nfs/dbraw/zinc/64/21/44/893642144.db2.gz UHIIENWNXOHLFB-UHFFFAOYSA-N 0 0 393.434 3.936 20 10 GHCDRN Cn1nc(Br)cc1/C=C1\SC(=S)N(c2ccccc2F)C1=O ZINC000778249246 893691679 /nfs/dbraw/zinc/69/16/79/893691679.db2.gz WHCDBCPCEUVYJM-WDZFZDKYSA-N 0 0 398.282 3.728 20 10 GHCDRN CN(C)C(=O)NCCc1ccc(NCc2ccc(Br)cc2O)cc1 ZINC000877690412 893765733 /nfs/dbraw/zinc/76/57/33/893765733.db2.gz XQZSFHGXEOMUTE-UHFFFAOYSA-N 0 0 392.297 3.581 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(C(F)F)ncn1 ZINC000934722227 893849728 /nfs/dbraw/zinc/84/97/28/893849728.db2.gz VLKNCNHLSOGQRI-UHFFFAOYSA-N 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ZINC000815628617 894060339 /nfs/dbraw/zinc/06/03/39/894060339.db2.gz FWFAUKLIVXJXIK-ZDUSSCGKSA-N 0 0 380.414 3.960 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1(Cc2ccc(F)cc2)CCOCC1 ZINC000815629651 894060495 /nfs/dbraw/zinc/06/04/95/894060495.db2.gz IZXVDZHDZPIBJB-UHFFFAOYSA-N 0 0 384.495 3.856 20 10 GHCDRN CC[C@H](Nc1ccc(N2CCN(C(=O)OC)CC2)nc1)c1ccc(N(C)C)cc1 ZINC000815655719 894070353 /nfs/dbraw/zinc/07/03/53/894070353.db2.gz ZXNPQKBUNHNHRP-FQEVSTJZSA-N 0 0 397.523 3.599 20 10 GHCDRN CCN(C)c1ccc([C@H](C)Nc2ccc(N3CCN(C(=O)OC)CC3)nc2)cc1 ZINC000815654313 894098785 /nfs/dbraw/zinc/09/87/85/894098785.db2.gz HXXVNBKMOWCWAC-KRWDZBQOSA-N 0 0 397.523 3.599 20 10 GHCDRN CO[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000815715434 894151478 /nfs/dbraw/zinc/15/14/78/894151478.db2.gz HLVXRUZDNSZGMJ-BMGDILEWSA-N 0 0 382.451 3.578 20 10 GHCDRN C[C@H](NC(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000878300061 894177071 /nfs/dbraw/zinc/17/70/71/894177071.db2.gz 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C[C@H](NC(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1)c1ccccc1O ZINC000878722899 894536199 /nfs/dbraw/zinc/53/61/99/894536199.db2.gz LOOQCOJMCTYZTJ-AWEZNQCLSA-N 0 0 390.505 3.988 20 10 GHCDRN Cc1cc(C(=O)NCc2cccnc2)c(C)n1-c1ccc(Br)cn1 ZINC001135402807 894546930 /nfs/dbraw/zinc/54/69/30/894546930.db2.gz MFIZBBDNBPBLPS-UHFFFAOYSA-N 0 0 385.265 3.577 20 10 GHCDRN CC(=O)c1cc(Cl)cc(CN2CCN(c3ccc(Cl)cn3)CC2)c1O ZINC000748049559 894566041 /nfs/dbraw/zinc/56/60/41/894566041.db2.gz HUWDUMFENBCBIK-UHFFFAOYSA-N 0 0 380.275 3.619 20 10 GHCDRN COc1c([O-])c(C[N@H+](CC(C)C)C[C@@H](O)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000774884346 913885808 /nfs/dbraw/zinc/88/58/08/913885808.db2.gz KSCXWEUDFODMPR-GOSISDBHSA-N 0 0 392.427 3.640 20 10 GHCDRN Oc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000826083485 894728973 /nfs/dbraw/zinc/72/89/73/894728973.db2.gz HMIYBSWBRMJVJF-CJNGLKHVSA-N 0 0 382.298 3.662 20 10 GHCDRN C[C@H]1CCCN(C(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)C1 ZINC001135510525 894740392 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CCCCN(Cc1ccccc1O)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000801544864 921118923 /nfs/dbraw/zinc/11/89/23/921118923.db2.gz DJOAZVYRVDGEPC-UHFFFAOYSA-N 0 0 394.431 3.929 20 10 GHCDRN COCC1(CNC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CCOCC1 ZINC000816790653 895074709 /nfs/dbraw/zinc/07/47/09/895074709.db2.gz JBLQBLZZXVFZAZ-UHFFFAOYSA-N 0 0 390.911 3.921 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](C)[C@H]2OCCc3sccc32)c(C)n1-c1ccccn1 ZINC000817051127 895280713 /nfs/dbraw/zinc/28/07/13/895280713.db2.gz GQLCIGRTVNJWOC-VBKZILBWSA-N 0 0 381.501 3.983 20 10 GHCDRN COc1ccc(-c2nnc(N3CCCN(c4ccc(OC)cc4)CC3)s2)cc1 ZINC000817118623 895343572 /nfs/dbraw/zinc/34/35/72/895343572.db2.gz ZGYVLQNHXCKWNK-UHFFFAOYSA-N 0 0 396.516 3.939 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(Cl)cc(Cl)c1N ZINC001135946229 895740084 /nfs/dbraw/zinc/74/00/84/895740084.db2.gz KPXAEOKHDIMBFR-UHFFFAOYSA-N 0 0 394.302 3.684 20 10 GHCDRN COC(=O)CCCN1C(=O)/C(=C\c2cccc(OC(C)C)c2)SC1=S ZINC000040938668 895866619 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GHCDRN COc1ccc(N2CCCN(C(=O)Nc3cnccc3C(F)(F)F)CC2)cc1 ZINC000880971684 896038314 /nfs/dbraw/zinc/03/83/14/896038314.db2.gz QRSOTRUOIICSQP-UHFFFAOYSA-N 0 0 394.397 3.853 20 10 GHCDRN Cc1cc(C(=O)NCCc2cc(C(F)(F)F)ccn2)c(C)n1-c1ccccn1 ZINC000818283550 896135049 /nfs/dbraw/zinc/13/50/49/896135049.db2.gz XNSUAHJICGQERZ-UHFFFAOYSA-N 0 0 388.393 3.875 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cccc([C@]2(C)COC(=O)N2)c1 ZINC000881107416 896147763 /nfs/dbraw/zinc/14/77/63/896147763.db2.gz BIPZIXGMIWWSSL-NRFANRHFSA-N 0 0 383.448 3.791 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)c1nc(C(C)C)nc(N(C)C)n1 ZINC001185734393 914050479 /nfs/dbraw/zinc/05/04/79/914050479.db2.gz BYHLKKXUDZURFO-UHFFFAOYSA-N 0 0 394.317 3.556 20 10 GHCDRN CC(=O)CCCc1cn(CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)nn1 ZINC000881350295 896304371 /nfs/dbraw/zinc/30/43/71/896304371.db2.gz BKLXLXJLTJOXQP-UHFFFAOYSA-N 0 0 399.882 3.529 20 10 GHCDRN Cc1cc(C(=O)N2CCC([C@@H]3NC(=O)C3(C)C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000819075953 896389673 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COc1ccc(N2CC[C@@H](CNC(=O)Cc3coc4cc(OC)ccc34)C2)cc1 ZINC000819580969 896824695 /nfs/dbraw/zinc/82/46/95/896824695.db2.gz RUODBESOTQCGIY-INIZCTEOSA-N 0 0 394.471 3.635 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@H](C)Oc3cccc(Cl)c3)C2)cc1 ZINC000819580684 896825063 /nfs/dbraw/zinc/82/50/63/896825063.db2.gz NJBNAJJVDURUCN-HOTGVXAUSA-N 0 0 388.895 3.759 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cccn3Cc3cccs3)C2)cc1 ZINC000819583537 896827474 /nfs/dbraw/zinc/82/74/74/896827474.db2.gz UAZCOOIOOITEFT-QGZVFWFLSA-N 0 0 395.528 3.863 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)CCOc3ccccc3Cl)C2)cc1 ZINC000819581982 896827787 /nfs/dbraw/zinc/82/77/87/896827787.db2.gz BRZKUWUSKRUVTH-INIZCTEOSA-N 0 0 388.895 3.760 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cc(-c4ccc(C)cc4)no3)C2)cc1 ZINC000819582001 896827838 /nfs/dbraw/zinc/82/78/38/896827838.db2.gz CEGPINLKJYBAAD-QGZVFWFLSA-N 0 0 391.471 3.915 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3oc(Br)cc3C)C2)cc1 ZINC000819582934 896828738 /nfs/dbraw/zinc/82/87/38/896828738.db2.gz MVLGMPOYXWOVEO-CYBMUJFWSA-N 0 0 393.281 3.615 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3cccc(F)c3F)C2)cc1 ZINC000819584546 896830003 /nfs/dbraw/zinc/83/00/03/896830003.db2.gz LPDCBWCJCYHVCD-MDASCCDHSA-N 0 0 386.442 3.720 20 10 GHCDRN CCO[C@H](C)c1ncc(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000819584205 896831690 /nfs/dbraw/zinc/83/16/90/896831690.db2.gz DSDJDDTVZRLCRE-HUUCEWRRSA-N 0 0 389.521 3.506 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3SCCc4sccc43)C2)cc1 ZINC000819585513 896833155 /nfs/dbraw/zinc/83/31/55/896833155.db2.gz YBPXXLCOVZLHHX-AUUYWEPGSA-N 0 0 388.558 3.730 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@]3(C)CCc4ccccc4C3)C2)cc1 ZINC000819584717 896834450 /nfs/dbraw/zinc/83/44/50/896834450.db2.gz PKANJMQVIALMIJ-MHECFPHRSA-N 0 0 378.516 3.833 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3c(F)c(F)cc(F)c3F)C2)cc1 ZINC000819585092 896834550 /nfs/dbraw/zinc/83/45/50/896834550.db2.gz WRLHUYFEAJRNEJ-LLVKDONJSA-N 0 0 382.357 3.508 20 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/nfs/dbraw/zinc/91/08/79/896910879.db2.gz DCQAEMSFRLASJG-UHFFFAOYSA-N 0 0 386.448 3.633 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)NC[C@H]3COc4ccccc4O3)c2C)cc1 ZINC000025465584 896914917 /nfs/dbraw/zinc/91/49/17/896914917.db2.gz UXKUGRWURQGZDC-IBGZPJMESA-N 0 0 392.455 3.673 20 10 GHCDRN CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000129885680 896920507 /nfs/dbraw/zinc/92/05/07/896920507.db2.gz MUOTVBPBVXOHRX-FFZOFVMBSA-N 0 0 391.581 3.900 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(-n2cnc3ccccc32)nc1 ZINC000819755004 896987369 /nfs/dbraw/zinc/98/73/69/896987369.db2.gz BNACTVRGIUQBKV-UHFFFAOYSA-N 0 0 393.443 3.542 20 10 GHCDRN Cc1cc(C(=O)N2CC3(CCC3)[C@H]2C2CCOCC2)c(C)n1-c1ccccn1 ZINC000819756896 896990460 /nfs/dbraw/zinc/99/04/60/896990460.db2.gz QNDSOKSNFOMFEJ-OAQYLSRUSA-N 0 0 379.504 3.910 20 10 GHCDRN Cc1nc2ccccc2n1CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000042000649 897023891 /nfs/dbraw/zinc/02/38/91/897023891.db2.gz SRVWUHWRGLAKBO-UHFFFAOYSA-N 0 0 376.504 3.994 20 10 GHCDRN COC(=O)/C=C/c1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000819979165 897068854 /nfs/dbraw/zinc/06/88/54/897068854.db2.gz QNERYUZPUVFKRY-ACCUITESSA-N 0 0 382.460 3.728 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNc3cc(OC)c(OC)cc3[N+](=O)[O-])C2)cc1 ZINC000819937004 897071242 /nfs/dbraw/zinc/07/12/42/897071242.db2.gz YKWCRMWGJSVVEE-AWEZNQCLSA-N 0 0 387.436 3.559 20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)c3cccc(Cl)c3N)cc2F)C[C@H](C)O1 ZINC001136311356 897217975 /nfs/dbraw/zinc/21/79/75/897217975.db2.gz NKKCQGVLYOFFQE-STQMWFEESA-N 0 0 391.874 3.605 20 10 GHCDRN CCOc1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c(C)c1 ZINC000820186625 897220950 /nfs/dbraw/zinc/22/09/50/897220950.db2.gz LVFKLDTXWDAVNZ-UHFFFAOYSA-N 0 0 383.492 3.677 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2C=C[C@H](CO)C2)c(C)n1-c1ccccc1Br ZINC000130899747 897248151 /nfs/dbraw/zinc/24/81/51/897248151.db2.gz FEOWXNGBPDPQBL-LSDHHAIUSA-N 0 0 389.293 3.523 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000883089094 897272757 /nfs/dbraw/zinc/27/27/57/897272757.db2.gz AJCWASUBDFZLEH-UHFFFAOYSA-N 0 0 395.272 3.609 20 10 GHCDRN COCc1nc(C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])cs1 ZINC000883122623 897301568 /nfs/dbraw/zinc/30/15/68/897301568.db2.gz TXZAAAQSHBWLLY-UHFFFAOYSA-N 0 0 377.691 3.701 20 10 GHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc3c(c2)ncn3C)cc1 ZINC000131225996 897371051 /nfs/dbraw/zinc/37/10/51/897371051.db2.gz HAPFGRKHKKYUEA-UHFFFAOYSA-N 0 0 390.409 3.844 20 10 GHCDRN Fc1ccc(Cc2nccc(NCc3ccc(N4CCOCC4)cc3)n2)cc1 ZINC000820635527 897428563 /nfs/dbraw/zinc/42/85/63/897428563.db2.gz WCUKBSBQFQONOD-UHFFFAOYSA-N 0 0 378.451 3.655 20 10 GHCDRN CC(C)CCn1cc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)nn1 ZINC000131487463 897484930 /nfs/dbraw/zinc/48/49/30/897484930.db2.gz UNNSUULHDCEMFT-UHFFFAOYSA-N 0 0 397.445 3.595 20 10 GHCDRN COCc1ccccc1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000778627933 897641645 /nfs/dbraw/zinc/64/16/45/897641645.db2.gz QFJNSHLSLCDFNZ-UHFFFAOYSA-N 0 0 375.490 3.672 20 10 GHCDRN Cc1cccc(N(C)C(=O)c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)n1 ZINC000828013815 897758982 /nfs/dbraw/zinc/75/89/82/897758982.db2.gz LGIAEGGRSXAQDZ-UHFFFAOYSA-N 0 0 381.476 3.960 20 10 GHCDRN O=C(NC[C@@H]1CSCCS1)N(Cc1ccco1)Cc1ccccc1O ZINC000132403870 897781188 /nfs/dbraw/zinc/78/11/88/897781188.db2.gz DOPZSACKJJXUBH-MRXNPFEDSA-N 0 0 378.519 3.546 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](COC)c1cccc(OC)c1 ZINC000821231887 897795760 /nfs/dbraw/zinc/79/57/60/897795760.db2.gz QRAXMKHWABGQAL-OAQYLSRUSA-N 0 0 385.508 3.680 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000132623600 897844947 /nfs/dbraw/zinc/84/49/47/897844947.db2.gz RBHSKPNHAHIJOI-OAHLLOKOSA-N 0 0 384.476 3.846 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000132647232 897860940 /nfs/dbraw/zinc/86/09/40/897860940.db2.gz OOVCGLUMSGNKAW-LJQANCHMSA-N 0 0 396.535 3.572 20 10 GHCDRN C[C@@H](NC(=O)c1cccc2cc(O)ccc21)c1ccc(N2CCOCC2)cc1 ZINC001136443320 897865740 /nfs/dbraw/zinc/86/57/40/897865740.db2.gz ZFWMZJJUVSISEL-MRXNPFEDSA-N 0 0 376.456 3.873 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N[C@H](c2cccc(F)c2)c2ccccn2)cc1 ZINC000132703245 897878349 /nfs/dbraw/zinc/87/83/49/897878349.db2.gz VDODZSKFIMTXPC-OAQYLSRUSA-N 0 0 378.451 3.876 20 10 GHCDRN O=C(NCc1c(O)cccc1F)Nc1ccnc(OCC(F)(F)C(F)F)c1 ZINC001202555528 897947421 /nfs/dbraw/zinc/94/74/21/897947421.db2.gz FTTPWPLMZNWEOV-UHFFFAOYSA-N 0 0 391.296 3.527 20 10 GHCDRN Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)CC3 ZINC000778654438 897970937 /nfs/dbraw/zinc/97/09/37/897970937.db2.gz YAIIYSVLDRHZEM-QGZVFWFLSA-N 0 0 376.504 3.899 20 10 GHCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)/C=C\c2ccc(C=O)cc2)cc1 ZINC001136480349 898006012 /nfs/dbraw/zinc/00/60/12/898006012.db2.gz JIMWNSBLZCRCAH-OVTQYCMBSA-N 0 0 392.499 3.786 20 10 GHCDRN CC1=CC(NC(=O)C(C)(C)C)=S=C1C(=O)Nc1ccc(-c2ncco2)cc1C ZINC000568648453 898006652 /nfs/dbraw/zinc/00/66/52/898006652.db2.gz YKGGOELABJUAEH-UHFFFAOYSA-N 0 0 397.500 3.746 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3ccc4c(c3)C(=O)CCC4)C2)cc1 ZINC000821742731 898048128 /nfs/dbraw/zinc/04/81/28/898048128.db2.gz MJLZMHVEDLIZNS-KRWDZBQOSA-N 0 0 379.460 3.615 20 10 GHCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC3(CC2)OCCc2ccsc23)cc1 ZINC000821770058 898066420 /nfs/dbraw/zinc/06/64/20/898066420.db2.gz RKRKQBSIHFMPCM-UHFFFAOYSA-N 0 0 384.461 3.615 20 10 GHCDRN Cc1cc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1F ZINC000103242697 898076889 /nfs/dbraw/zinc/07/68/89/898076889.db2.gz RNNBBZFXCQEDDD-UHFFFAOYSA-N 0 0 375.419 3.556 20 10 GHCDRN O=C(c1ccc(-n2cccn2)cc1Cl)N1CCCc2cc(O)c(O)cc2C1 ZINC001185962908 914229534 /nfs/dbraw/zinc/22/95/34/914229534.db2.gz SSXMEDVHXUDOIS-UHFFFAOYSA-N 0 0 383.835 3.526 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000801546751 921119955 /nfs/dbraw/zinc/11/99/55/921119955.db2.gz XMCPKWCUFHSDRZ-UHFFFAOYSA-N 0 0 395.908 3.892 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)CCc2ccccc2N2CCOCC2)cc1 ZINC000822603582 898495171 /nfs/dbraw/zinc/49/51/71/898495171.db2.gz 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/nfs/dbraw/zinc/65/59/28/909655928.db2.gz VAGFKZPYPIZCNX-CQSZACIVSA-N 0 0 376.526 3.648 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](c2cnn(C)c2)C(C)C)c1 ZINC001179762340 909719808 /nfs/dbraw/zinc/71/98/08/909719808.db2.gz LHZIMWYSVVBGKB-NRFANRHFSA-N 0 0 378.476 3.767 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1cscc1Br ZINC000795329273 909878341 /nfs/dbraw/zinc/87/83/41/909878341.db2.gz NROKTMFEMUQIEW-UHFFFAOYSA-N 0 0 397.363 3.994 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NC(C)(C)C(=O)OC(C)C)ccc1C ZINC001180248202 910045713 /nfs/dbraw/zinc/04/57/13/910045713.db2.gz FAPDGYOPAVWMKO-UHFFFAOYSA-N 0 0 384.476 3.675 20 10 GHCDRN Cc1cc(C(=O)NCC[C@H](O)C2CC2)c(C)n1-c1ccccc1Br ZINC001180335723 910079840 /nfs/dbraw/zinc/07/98/40/910079840.db2.gz WBCKJSKZHSDGOM-SFHVURJKSA-N 0 0 391.309 3.747 20 10 GHCDRN Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773856011 910153465 /nfs/dbraw/zinc/15/34/65/910153465.db2.gz HWTVKXOFWIJFOM-MRXNPFEDSA-N 0 0 397.523 3.579 20 10 GHCDRN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000246369144 910264430 /nfs/dbraw/zinc/26/44/30/910264430.db2.gz IZWFCMFAGMHINJ-HHXXYDBFSA-N 0 0 375.488 3.525 20 10 GHCDRN COc1ccc2c(c1)CCCN2CCC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC001180715990 910298655 /nfs/dbraw/zinc/29/86/55/910298655.db2.gz KTWBFXXEORKLDA-UHFFFAOYSA-N 0 0 390.524 3.912 20 10 GHCDRN CN(C)c1ccc(/N=N/c2ccccc2C(=O)NC[C@H](O)C2CCOCC2)cc1 ZINC000269626097 910322383 /nfs/dbraw/zinc/32/23/83/910322383.db2.gz VGPLMCQMZIDXAE-PWKIUMOWSA-N 0 0 396.491 3.685 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@@H](c3n[nH]cc3N)C2)c(C)n1-c1cccc(Cl)c1 ZINC001180772580 910355970 /nfs/dbraw/zinc/35/59/70/910355970.db2.gz AGJRGJUNAIYJNL-CQSZACIVSA-N 0 0 383.883 3.683 20 10 GHCDRN O=C(CCc1ccc(Oc2ccccc2)cc1)NCC(=O)c1ccc(O)c(O)c1 ZINC001180929838 910432842 /nfs/dbraw/zinc/43/28/42/910432842.db2.gz PTAZCZKDJBHFMH-UHFFFAOYSA-N 0 0 391.423 3.822 20 10 GHCDRN CC(C)(C)[C@@H]1C[C@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCO1 ZINC000270720830 910675019 /nfs/dbraw/zinc/67/50/19/910675019.db2.gz DMRAJRJUYLUIMD-GGPKGHCWSA-N 0 0 390.524 3.677 20 10 GHCDRN Nc1ccc(/N=N/c2ccc(Br)cn2)c(NC(=O)[C@@H]2CCO2)c1 ZINC001181588787 910848505 /nfs/dbraw/zinc/84/85/05/910848505.db2.gz PIBXEKXAPWOJDR-LBVBEYCISA-N 0 0 376.214 3.569 20 10 GHCDRN COc1ccc(COCC(=O)n2c(=N)ccc(/N=N/c3ccccc3)c2N)cc1 ZINC001181748458 910954866 /nfs/dbraw/zinc/95/48/66/910954866.db2.gz MPEHPKKLKHXKIO-GXXUPKGOSA-N 0 0 391.431 3.831 20 10 GHCDRN FC1(F)COCCN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC001182194992 911261236 /nfs/dbraw/zinc/26/12/36/911261236.db2.gz BTFAMZIZZLXFKY-UHFFFAOYSA-N 0 0 389.284 3.907 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(C)(C)c1ccccn1 ZINC000774042334 911277609 /nfs/dbraw/zinc/27/76/09/911277609.db2.gz AHHSRIWNMGKSHQ-UHFFFAOYSA-N 0 0 377.282 3.876 20 10 GHCDRN C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000091934937 911346274 /nfs/dbraw/zinc/34/62/74/911346274.db2.gz RVRGIVGYRYGNOA-UHFFFAOYSA-N 0 0 399.875 3.785 20 10 GHCDRN C[C@H](Cn1ccc2ccccc21)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000795593206 911384030 /nfs/dbraw/zinc/38/40/30/911384030.db2.gz XGUGCKDDSHOGKD-RTBURBONSA-N 0 0 391.515 3.991 20 10 GHCDRN C[C@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774114898 911401435 /nfs/dbraw/zinc/40/14/35/911401435.db2.gz IARHBGVJRLPDJO-JTQLQIEISA-N 0 0 389.304 3.921 20 10 GHCDRN COc1ccc2c(c1)C[C@H](C(=O)N[C@@H]1c3c(c(C)cc(C)c3O)CC1(C)C)O2 ZINC001182363283 911560544 /nfs/dbraw/zinc/56/05/44/911560544.db2.gz WUQSDVBMWWVMHM-WIYYLYMNSA-N 0 0 381.472 3.761 20 10 GHCDRN Cc1ccccc1OCCCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000248052360 911641602 /nfs/dbraw/zinc/64/16/02/911641602.db2.gz NSFUKCKNDOKZBL-UHFFFAOYSA-N 0 0 382.504 3.649 20 10 GHCDRN O=C(NC1CC[NH+](Cc2cccc(Br)c2[O-])CC1)C1CCCCC1 ZINC000092644764 911674207 /nfs/dbraw/zinc/67/42/07/911674207.db2.gz OSNLNVLTMYRHIC-UHFFFAOYSA-N 0 0 395.341 3.816 20 10 GHCDRN Cc1cc(C(=O)N2CCN(Cc3cccnc3)CC2)c(C)n1-c1cccc(C)c1 ZINC000248124114 911722224 /nfs/dbraw/zinc/72/22/24/911722224.db2.gz UACAFTDSNTXFQJ-UHFFFAOYSA-N 0 0 388.515 3.756 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCc1ccc(Cl)cc1 ZINC000774442665 911748428 /nfs/dbraw/zinc/74/84/28/911748428.db2.gz OPWQHHVBDCCJAX-UHFFFAOYSA-N 0 0 399.922 3.605 20 10 GHCDRN O=C(CCC(=O)OCc1ccccc1)NCc1cc(Cl)c2cccnc2c1O ZINC001182776994 912044957 /nfs/dbraw/zinc/04/49/57/912044957.db2.gz ZXHKHMIRLXENLR-UHFFFAOYSA-N 0 0 398.846 3.734 20 10 GHCDRN CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(OC)CC1 ZINC000801982904 921720174 /nfs/dbraw/zinc/72/01/74/921720174.db2.gz FVNMWCHTCPVDNB-UHFFFAOYSA-N 0 0 379.508 3.988 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000285049995 912138115 /nfs/dbraw/zinc/13/81/15/912138115.db2.gz VVTDZJOHMWAMTC-UHFFFAOYSA-N 0 0 398.482 3.620 20 10 GHCDRN Cc1cc(C(=O)CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c(C)n1-c1ccccc1 ZINC000796339227 914891522 /nfs/dbraw/zinc/89/15/22/914891522.db2.gz SUGIRFWXSMTPSB-LPHOPBHVSA-N 0 0 394.437 3.770 20 10 GHCDRN COc1ccccc1[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])OC(C)C ZINC000775071126 914960921 /nfs/dbraw/zinc/96/09/21/914960921.db2.gz LVFBQKNHTFMGNQ-GOSISDBHSA-N 0 0 390.436 3.574 20 10 GHCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)[C@@H](O)CCCc1ccccc1 ZINC001187055772 914989308 /nfs/dbraw/zinc/98/93/08/914989308.db2.gz FWHQBUIXFRIPMN-SFHVURJKSA-N 0 0 384.863 3.594 20 10 GHCDRN O=C(NCC(F)(F)F)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001187084526 915023464 /nfs/dbraw/zinc/02/34/64/915023464.db2.gz YVDSOUMXKWGYCJ-UHFFFAOYSA-N 0 0 393.409 3.660 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)c2ccc(F)c3ccccc23)cc1 ZINC000796363244 915047676 /nfs/dbraw/zinc/04/76/76/915047676.db2.gz YRLMWUKACQDDJW-UHFFFAOYSA-N 0 0 394.446 3.860 20 10 GHCDRN CCOC(=O)CCNC(=O)Nc1ccc(/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001187223106 915130728 /nfs/dbraw/zinc/13/07/28/915130728.db2.gz TVXFEVALBFGQNK-AATRIKPKSA-N 0 0 381.476 3.998 20 10 GHCDRN CN(c1ccc(CNC(=O)N2CCC(F)(F)[C@H](CO)C2)cc1)C1CCCCC1 ZINC000291425128 915172953 /nfs/dbraw/zinc/17/29/53/915172953.db2.gz XIGSNJILNVXOLO-KRWDZBQOSA-N 0 0 395.494 3.615 20 10 GHCDRN COc1ccc(N(CC(=O)Nc2cccc(C#N)c2)Cc2ccco2)cc1F ZINC000303825714 915176296 /nfs/dbraw/zinc/17/62/96/915176296.db2.gz NUASDWCPXMMUFL-UHFFFAOYSA-N 0 0 379.391 3.944 20 10 GHCDRN CC(C)(C)n1ncnc1CNCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796374568 915190267 /nfs/dbraw/zinc/19/02/67/915190267.db2.gz HOWZDNWBZDQCBB-UHFFFAOYSA-N 0 0 375.520 3.886 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N(CCO)Cc3ccccc3)c2C)cc1 ZINC000096968278 915307079 /nfs/dbraw/zinc/30/70/79/915307079.db2.gz DGKSBWFJEBWIMX-UHFFFAOYSA-N 0 0 378.472 3.737 20 10 GHCDRN O=C(CN(Cc1ccco1)Cc1ccccc1O)NCCc1ccc(Cl)cc1 ZINC000096970899 915312785 /nfs/dbraw/zinc/31/27/85/915312785.db2.gz INAXARNMCWIDMN-UHFFFAOYSA-N 0 0 398.890 4.000 20 10 GHCDRN COc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2cccc(Br)c2[O-])c1 ZINC000775150761 915580562 /nfs/dbraw/zinc/58/05/62/915580562.db2.gz AGIPNVSKWUZHCQ-GFCCVEGCSA-N 0 0 393.281 3.670 20 10 GHCDRN COc1ccc(-c2nnn(Cc3ccc(N4CCCCC4)c(C)c3)n2)cc1OC ZINC001188062805 915730421 /nfs/dbraw/zinc/73/04/21/915730421.db2.gz QAQNPUGFHGTEHB-UHFFFAOYSA-N 0 0 393.491 3.704 20 10 GHCDRN COc1cc2c(cc1F)CC[C@H]2NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000802060779 921794501 /nfs/dbraw/zinc/79/45/01/921794501.db2.gz FVYKKKBFZZLRQJ-LJQANCHMSA-N 0 0 383.467 3.703 20 10 GHCDRN Cc1ccc(C2=NO[C@@H](CNC(=O)NCc3ccc(N(C)C)c(F)c3)C2)cc1C ZINC000802060567 921794702 /nfs/dbraw/zinc/79/47/02/921794702.db2.gz KDEAOJMXWODLRL-GOSISDBHSA-N 0 0 398.482 3.501 20 10 GHCDRN CC(C)C[C@@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)c1ccccc1 ZINC000775195660 916138409 /nfs/dbraw/zinc/13/84/09/916138409.db2.gz HDOVRPBIPZEGPU-OAQYLSRUSA-N 0 0 393.531 3.589 20 10 GHCDRN Cc1[nH]c2ccc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc2c1C ZINC000098093950 916191555 /nfs/dbraw/zinc/19/15/55/916191555.db2.gz OYLSXUMGARKNAY-UHFFFAOYSA-N 0 0 391.515 3.923 20 10 GHCDRN O=C(CCc1c[nH]c2ccccc12)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000098093695 916191690 /nfs/dbraw/zinc/19/16/90/916191690.db2.gz YZPHMUKUTMBGGL-UHFFFAOYSA-N 0 0 391.515 3.626 20 10 GHCDRN Cn1nc(C(C)(C)C)cc1C(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001189024194 916350027 /nfs/dbraw/zinc/35/00/27/916350027.db2.gz VLLNUJLRDNPDMY-RICCLWDESA-N 0 0 377.452 3.685 20 10 GHCDRN CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000775214653 916367652 /nfs/dbraw/zinc/36/76/52/916367652.db2.gz QJFAGXUANFTKAE-HNAYVOBHSA-N 0 0 380.448 3.972 20 10 GHCDRN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1ccccc1O ZINC000796402769 916516724 /nfs/dbraw/zinc/51/67/24/916516724.db2.gz LZNNVZJYXBZPMK-UHFFFAOYSA-N 0 0 390.505 3.578 20 10 GHCDRN C[C@@H]1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)[C@H]1C ZINC000294209763 916651255 /nfs/dbraw/zinc/65/12/55/916651255.db2.gz QWFGYSKNGSAWFM-KMEGAEJISA-N 0 0 380.560 3.596 20 10 GHCDRN O=S(=O)(NCc1cccc(Br)c1O)c1cc2ccccc2s1 ZINC001189955426 917019535 /nfs/dbraw/zinc/01/95/35/917019535.db2.gz VCYWJZIOTDVKOW-UHFFFAOYSA-N 0 0 398.303 3.848 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1c(Cl)cncc1Cl ZINC000294877280 917028510 /nfs/dbraw/zinc/02/85/10/917028510.db2.gz DECGNCOMQYMNCT-UHFFFAOYSA-N 0 0 394.302 3.527 20 10 GHCDRN Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NCc1cc(Cl)ccc1O ZINC000796431915 917113988 /nfs/dbraw/zinc/11/39/88/917113988.db2.gz OMXZASLKYVOCKP-UHFFFAOYSA-N 0 0 382.913 3.995 20 10 GHCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)c1ccc(-n2cccc2)nc1 ZINC001190389656 917293396 /nfs/dbraw/zinc/29/33/96/917293396.db2.gz KZYASJLTGSPNNA-JXENRQPZSA-N 0 0 383.415 3.839 20 10 GHCDRN C[C@@H](NC(=O)c1sc(N2CCCC2)nc1Cl)c1ccc(N(C)C)cc1 ZINC000775402013 917454574 /nfs/dbraw/zinc/45/45/74/917454574.db2.gz ASFBVXYPDYZVSS-GFCCVEGCSA-N 0 0 378.929 3.954 20 10 GHCDRN C[C@H](NC(=O)[C@@H]1CCCN1c1ncnc2sccc21)c1ccc(N(C)C)cc1 ZINC000775402402 917480028 /nfs/dbraw/zinc/48/00/28/917480028.db2.gz AGLIRLVPOCBRKV-KSSFIOAISA-N 0 0 395.532 3.604 20 10 GHCDRN Cc1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)c(O)c1O ZINC000775404656 917512742 /nfs/dbraw/zinc/51/27/42/917512742.db2.gz FZDMFCCMXRECMN-IMJJTQAJSA-N 0 0 375.465 3.521 20 10 GHCDRN COc1cc(OC)cc([C@H](N[C@H]2CCc3cccc(O)c32)c2nccn2C)c1 ZINC000295856506 917552586 /nfs/dbraw/zinc/55/25/86/917552586.db2.gz GJYMJKKFIDCJLP-RXVVDRJESA-N 0 0 379.460 3.509 20 10 GHCDRN C[C@H](NC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1ccc(N(C)C)cc1 ZINC000775412038 917559633 /nfs/dbraw/zinc/55/96/33/917559633.db2.gz UQANRGOOYWLQMM-AWEZNQCLSA-N 0 0 375.476 3.906 20 10 GHCDRN Cc1c(C(=O)n2c(=N)ccc(/N=N/c3ccccc3)c2N)cnn1C(C)(C)C ZINC001190820254 917581075 /nfs/dbraw/zinc/58/10/75/917581075.db2.gz GUZAAEJNILMWMB-MHWBOGJCSA-N 0 0 377.452 3.914 20 10 GHCDRN C[C@](CO)([NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccc(Br)cc1 ZINC000796472784 917601304 /nfs/dbraw/zinc/60/13/04/917601304.db2.gz XKJLZDLKYMPLGV-MRXNPFEDSA-N 0 0 388.664 3.945 20 10 GHCDRN CNC(=O)C1CCN(C(=O)c2cccc(N=Nc3ccc(N(C)C)cc3)c2)CC1 ZINC001190964920 917670629 /nfs/dbraw/zinc/67/06/29/917670629.db2.gz YORFWWQROJBJLE-UHFFFAOYSA-N 0 0 393.491 3.766 20 10 GHCDRN CCCOc1ccc(S(=O)(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)cc1 ZINC001191465631 918031491 /nfs/dbraw/zinc/03/14/91/918031491.db2.gz HVMVSHQJNDAZRK-QGZVFWFLSA-N 0 0 390.549 3.759 20 10 GHCDRN CO[C@@H]1CCC[C@H]1CNC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000775459916 918032028 /nfs/dbraw/zinc/03/20/28/918032028.db2.gz POBKPBFJXUYKLY-GHTZIAJQSA-N 0 0 385.508 3.873 20 10 GHCDRN CC[C@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775496224 918332886 /nfs/dbraw/zinc/33/28/86/918332886.db2.gz HZAWYJKFFQIJFF-AWEZNQCLSA-N 0 0 378.263 3.916 20 10 GHCDRN COc1ccc(N2CCN(CC(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1F ZINC001192107709 918413705 /nfs/dbraw/zinc/41/37/05/918413705.db2.gz LGNPSZMTUGXNIH-UHFFFAOYSA-N 0 0 391.874 3.557 20 10 GHCDRN C[C@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000296613983 918472189 /nfs/dbraw/zinc/47/21/89/918472189.db2.gz WLTKUQRHUAUAHP-ZDUSSCGKSA-N 0 0 383.389 3.927 20 10 GHCDRN Cc1ccn(-c2ccc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cc2)n1 ZINC000145693419 919403456 /nfs/dbraw/zinc/40/34/56/919403456.db2.gz FVALMMQUHIUZRP-SFHVURJKSA-N 0 0 390.487 3.508 20 10 GHCDRN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000115281223 919446487 /nfs/dbraw/zinc/44/64/87/919446487.db2.gz OWQUKGIJQDEHPL-KRWDZBQOSA-N 0 0 399.560 3.746 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000115653047 919464071 /nfs/dbraw/zinc/46/40/71/919464071.db2.gz CWUIPKCLNLQTRN-UHFFFAOYSA-N 0 0 394.519 3.799 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3ccc(-c4nncs4)cc3)CC2)cc1 ZINC000298021745 920096522 /nfs/dbraw/zinc/09/65/22/920096522.db2.gz DSXMBZKKRRPMLT-UHFFFAOYSA-N 0 0 395.488 3.568 20 10 GHCDRN CCCNC(=O)CCCC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000800571866 920283520 /nfs/dbraw/zinc/28/35/20/920283520.db2.gz OXCRBOOUWCPOQD-MRXNPFEDSA-N 0 0 393.959 3.889 20 10 GHCDRN CC(C)CN(C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000298304900 920383546 /nfs/dbraw/zinc/38/35/46/920383546.db2.gz BLLKJYLIHBHTPS-UVTDQMKNSA-N 0 0 382.576 3.844 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)CCC(=O)CCC(=O)c2cccs2)cc1 ZINC000298322444 920396466 /nfs/dbraw/zinc/39/64/66/920396466.db2.gz LYZHSARUKBTIJX-UHFFFAOYSA-N 0 0 386.517 3.785 20 10 GHCDRN CO[C@@]1(C)CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C)C1 ZINC000800731687 920402929 /nfs/dbraw/zinc/40/29/29/920402929.db2.gz PAHDMBLCZWOFRD-QFIPXVFZSA-N 0 0 379.508 3.895 20 10 GHCDRN CCCCN(Cc1ccccc1O)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000800887498 920568428 /nfs/dbraw/zinc/56/84/28/920568428.db2.gz TZDITDFNYHTPTN-UHFFFAOYSA-N 0 0 384.479 3.572 20 10 GHCDRN CN1CCCc2cc(CNC(=O)NCc3ccsc3Br)ccc21 ZINC000801066129 920754382 /nfs/dbraw/zinc/75/43/82/920754382.db2.gz MNUUZBPHNYLZNW-UHFFFAOYSA-N 0 0 394.338 3.892 20 10 GHCDRN CCc1csc(CC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000801162423 920811815 /nfs/dbraw/zinc/81/18/15/920811815.db2.gz RQWYPOJOHGWGOQ-AWEZNQCLSA-N 0 0 395.475 3.635 20 10 GHCDRN CN(C)c1ccc(CN(Cn2ncc3sccc3c2=O)CC(F)(F)F)cc1 ZINC000902114920 921888978 /nfs/dbraw/zinc/88/89/78/921888978.db2.gz 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COc1cc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)cc(OC)c1C ZINC000751306703 928121931 /nfs/dbraw/zinc/12/19/31/928121931.db2.gz XWHPFBQJWZDLNZ-UHFFFAOYSA-N 0 0 388.427 3.974 20 10 GHCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1cc(-c2ccncc2)on1 ZINC000751306348 928123353 /nfs/dbraw/zinc/12/33/53/928123353.db2.gz UJOAFZQWSGWKSZ-UHFFFAOYSA-N 0 0 382.383 3.699 20 10 GHCDRN Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c(Cl)n1 ZINC000751403025 928172843 /nfs/dbraw/zinc/17/28/43/928172843.db2.gz BFHWKJFQPSZNKO-SFHVURJKSA-N 0 0 387.911 3.931 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)c2ccc(-c3ccccc3)o2)cc1 ZINC000751724893 928350000 /nfs/dbraw/zinc/35/00/00/928350000.db2.gz DWMFSKPJAZUGMB-UHFFFAOYSA-N 0 0 392.455 3.828 20 10 GHCDRN Nc1ccc(Cc2nc(C(=O)OCc3nc(-c4ccccc4)no3)cs2)cc1 ZINC000751930444 928484837 /nfs/dbraw/zinc/48/48/37/928484837.db2.gz FNFRJARTWVSWGS-UHFFFAOYSA-N 0 0 392.440 3.723 20 10 GHCDRN Cc1ccc(NC(=O)COC(=O)c2csc(Cc3ccc(N)cc3)n2)cc1F ZINC000751938345 928495390 /nfs/dbraw/zinc/49/53/90/928495390.db2.gz YTKGVJCZNWCXIN-UHFFFAOYSA-N 0 0 399.447 3.559 20 10 GHCDRN COc1ccc(N2CCN(C(=O)C[C@H](C)c3ccc(F)cc3F)CC2)cc1F ZINC000752064281 928580011 /nfs/dbraw/zinc/58/00/11/928580011.db2.gz AHJXUOPVESUIOY-AWEZNQCLSA-N 0 0 392.421 3.955 20 10 GHCDRN COc1ccc(N(C)CCN2c3cccc4cccc(c34)S2(=O)=O)c(OC)c1 ZINC000752123600 928625155 /nfs/dbraw/zinc/62/51/55/928625155.db2.gz TVALNOFJOWCIPI-UHFFFAOYSA-N 0 0 398.484 3.502 20 10 GHCDRN COCC[C@H](Cc1ccco1)NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000544067010 928760014 /nfs/dbraw/zinc/76/00/14/928760014.db2.gz LRWZCFSAJFEUDF-LJQANCHMSA-N 0 0 398.503 3.875 20 10 GHCDRN O=C(NCCc1ccc(O)c(O)c1)c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC000752597005 928914120 /nfs/dbraw/zinc/91/41/20/928914120.db2.gz RONYZUBISJZGQI-UHFFFAOYSA-N 0 0 392.333 3.744 20 10 GHCDRN O=C(C1=CC(=O)CS1)N(Cc1ccccc1)C[C@]1(O)CCc2ccccc21 ZINC000752654326 928954854 /nfs/dbraw/zinc/95/48/54/928954854.db2.gz NNHWZMTWMCXKGJ-JOCHJYFZSA-N 0 0 379.481 3.930 20 10 GHCDRN Cc1cc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)nn1[C@@H](C)C1CC1 ZINC000752840741 929050513 /nfs/dbraw/zinc/05/05/13/929050513.db2.gz QFXXVQQSLIJKQT-IRXDYDNUSA-N 0 0 397.523 3.882 20 10 GHCDRN Cc1cc(C(=O)N2CCOC[C@H]2[C@H]2CCCCC2=O)c(C)n1-c1ccc(F)cc1 ZINC000752905889 929083650 /nfs/dbraw/zinc/08/36/50/929083650.db2.gz GIFQBFWRTBZSMM-CTNGQTDRSA-N 0 0 398.478 3.834 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)[C@H](O)c1c(F)cccc1Cl ZINC000752985936 929138408 /nfs/dbraw/zinc/13/84/08/929138408.db2.gz ZYQMGRGLKAOIIL-YJYMSZOUSA-N 0 0 393.890 3.775 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC000752985919 929138427 /nfs/dbraw/zinc/13/84/27/929138427.db2.gz ZYQMGRGLKAOIIL-BFUOFWGJSA-N 0 0 393.890 3.775 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@H](Oc3cccc(F)c3)C2)c(C)n1-c1ccccn1 ZINC000753215262 929256958 /nfs/dbraw/zinc/25/69/58/929256958.db2.gz PHQFFVADQNRJQV-IBGZPJMESA-N 0 0 379.435 3.922 20 10 GHCDRN COCC[C@H](Cc1ccco1)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000753281640 929284705 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COc1ccc(N2CCN(C(=O)CSCc3ccc(F)cc3)CC2)cc1F ZINC000753737751 929510049 /nfs/dbraw/zinc/51/00/49/929510049.db2.gz JWUYVRPVYCNTAC-UHFFFAOYSA-N 0 0 392.471 3.555 20 10 GHCDRN COc1ccc(N2CCN(C(=S)Nc3cc(C)ccc3F)CC2)cc1F ZINC000753961889 929613054 /nfs/dbraw/zinc/61/30/54/929613054.db2.gz KSULDKQLVFEMSL-UHFFFAOYSA-N 0 0 377.460 3.801 20 10 GHCDRN COc1ccc(CCCC(=O)NCc2ccc3c(c2)CCCN3C)c(OC)c1 ZINC000753977012 929620357 /nfs/dbraw/zinc/62/03/57/929620357.db2.gz NLNUOVBAUZNHSB-UHFFFAOYSA-N 0 0 382.504 3.725 20 10 GHCDRN CNC(=O)CCOc1ccc(N[C@H](C)c2ccc(Br)cc2O)cc1 ZINC000757593100 929738017 /nfs/dbraw/zinc/73/80/17/929738017.db2.gz JTLUAHNEASDDTH-GFCCVEGCSA-N 0 0 393.281 3.843 20 10 GHCDRN C[C@@H](Nc1cccc([C@@H]2CNC(=O)C2)c1)c1cc(Br)ccc1O ZINC000757619278 929747225 /nfs/dbraw/zinc/74/72/25/929747225.db2.gz LXXWJTSDVGGINR-YPMHNXCESA-N 0 0 375.266 3.931 20 10 GHCDRN COc1c(N[C@@H](C)c2cc(Br)c(F)cc2O)cccc1C(N)=O ZINC000757658697 929761916 /nfs/dbraw/zinc/76/19/16/929761916.db2.gz KBFDCJIZQUNXJY-QMMMGPOBSA-N 0 0 383.217 3.574 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)c1 ZINC000757658789 929761979 /nfs/dbraw/zinc/76/19/79/929761979.db2.gz ZXAIWPGGFCTTJL-CYBMUJFWSA-N 0 0 399.422 3.651 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CN(C)Cc3ccccc32)cc1 ZINC000757736348 929786552 /nfs/dbraw/zinc/78/65/52/929786552.db2.gz XAGHWZHKQZDJSX-JOCHJYFZSA-N 0 0 380.536 3.861 20 10 GHCDRN COc1ccc(N2CCCN(Cc3cn(-c4ccc(Cl)cc4)nn3)CC2)cc1 ZINC000757824337 929815394 /nfs/dbraw/zinc/81/53/94/929815394.db2.gz HOSZBIBQWBWKFV-UHFFFAOYSA-N 0 0 397.910 3.642 20 10 GHCDRN O=C1CNC(=O)N1Cc1ccc(NCc2cc(-c3ccccc3)ccc2O)cc1 ZINC000757887270 929840059 /nfs/dbraw/zinc/84/00/59/929840059.db2.gz CESDHMNNJYVIRB-UHFFFAOYSA-N 0 0 387.439 3.723 20 10 GHCDRN Cc1cc(CC(=O)OC[C@H](C)CS(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000757982240 929878878 /nfs/dbraw/zinc/87/88/78/929878878.db2.gz BYXDEAFWNQCZHG-ZDUSSCGKSA-N 0 0 397.924 3.514 20 10 GHCDRN CCOc1ccc(N(CC)CC(=O)Nc2nnc(-c3sccc3C)o2)cc1 ZINC000758005376 929885737 /nfs/dbraw/zinc/88/57/37/929885737.db2.gz GFDZHIQGJZHOGC-UHFFFAOYSA-N 0 0 386.477 3.970 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2nc(-c3ccc(F)cc3)ns2)c1 ZINC000758112653 929926624 /nfs/dbraw/zinc/92/66/24/929926624.db2.gz IPDFMOKISRNQCR-SNVBAGLBSA-N 0 0 388.424 3.941 20 10 GHCDRN CN1CCCc2cc(CNC(=O)CCc3cccc(OC(C)(C)C)n3)ccc21 ZINC000758459674 930052534 /nfs/dbraw/zinc/05/25/34/930052534.db2.gz DYMDYSICNRLGGJ-UHFFFAOYSA-N 0 0 381.520 3.890 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2cccc(O)c2O)c(C)n1Cc1cccs1 ZINC000758560664 930083389 /nfs/dbraw/zinc/08/33/89/930083389.db2.gz IOPFYBYPFHWOTL-UHFFFAOYSA-N 0 0 385.441 3.666 20 10 GHCDRN O=C(NCCCSc1nccs1)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000758582197 930091912 /nfs/dbraw/zinc/09/19/12/930091912.db2.gz KBKDSKJWGSCOCR-JKSUJKDBSA-N 0 0 395.525 3.984 20 10 GHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC2(CCC2)C1 ZINC000758813638 930177942 /nfs/dbraw/zinc/17/79/42/930177942.db2.gz 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3.598 20 10 GHCDRN O=c1c(Cl)c(NCc2ccccc2O)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000748308671 1021682631 /nfs/dbraw/zinc/68/26/31/1021682631.db2.gz WKFOZYQYIMHLPV-UHFFFAOYSA-N 0 0 396.756 3.617 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccc(Cl)cc2O)CCC1(F)F ZINC001140464371 1021755152 /nfs/dbraw/zinc/75/51/52/1021755152.db2.gz MXIDGPNWCPTGGU-CQSZACIVSA-N 0 0 376.831 3.780 20 10 GHCDRN O=C(Nc1ccccc1)C1=NO[C@]2(C1)CCCN(Cc1ccc(Cl)cc1O)C2 ZINC001140465789 1021759662 /nfs/dbraw/zinc/75/96/62/1021759662.db2.gz VIGPVIXETUCCFQ-NRFANRHFSA-N 0 0 399.878 3.795 20 10 GHCDRN CC(C)COC[C@H](O)CN(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000749167560 1021762629 /nfs/dbraw/zinc/76/26/29/1021762629.db2.gz UAMSQHHTICEKPY-QGZVFWFLSA-N 0 0 377.506 3.559 20 10 GHCDRN CN(C)c1ccc(/C=C/CN2CCCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000835025323 1021781291 /nfs/dbraw/zinc/78/12/91/1021781291.db2.gz HZTPQMURTDGPMS-FNORWQNLSA-N 0 0 381.495 3.753 20 10 GHCDRN COc1ccccc1[C@H](NC/C=C/c1ccc(N(C)C)cc1)c1noc(C)n1 ZINC000835040588 1021797447 /nfs/dbraw/zinc/79/74/47/1021797447.db2.gz QHYNJCLZPXCWBS-CQQBXOTJSA-N 0 0 378.476 3.845 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)c3ccc(C(F)(F)F)c(=O)[nH]3)cc2)CC1 ZINC000826868530 1021812554 /nfs/dbraw/zinc/81/25/54/1021812554.db2.gz SLHKKCFJGSARJS-UHFFFAOYSA-N 0 0 393.409 3.972 20 10 GHCDRN COC[C@@H]1CN(Cc2c([O-])cc(F)cc2F)Cc2cn(CC3CCCC3)nc21 ZINC001140581257 1022002492 /nfs/dbraw/zinc/00/24/92/1022002492.db2.gz NTQLZBLFJOIEJM-INIZCTEOSA-N 0 0 391.462 3.803 20 10 GHCDRN CC(C)(C)N1CC[C@@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)C1=O ZINC000827369824 1022101713 /nfs/dbraw/zinc/10/17/13/1022101713.db2.gz OUAWJHIXEOGSTK-GOSISDBHSA-N 0 0 387.524 3.636 20 10 GHCDRN Fc1cc(N2CCOCC2)ccc1CN1Cc2ccc(Br)cc2C1 ZINC001140662064 1022200990 /nfs/dbraw/zinc/20/09/90/1022200990.db2.gz COUWZTWCADPKOT-UHFFFAOYSA-N 0 0 391.284 3.941 20 10 GHCDRN COCCOc1ccc(N2CCN(Cc3cc(F)c(Cl)cc3F)CC2)cc1 ZINC001140702686 1022323792 /nfs/dbraw/zinc/32/37/92/1022323792.db2.gz VQLPTVZQVWREDC-UHFFFAOYSA-N 0 0 396.865 3.966 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OC[C@]1(c2ccccc2)CNC(=O)C1 ZINC000835742787 1022345373 /nfs/dbraw/zinc/34/53/73/1022345373.db2.gz BNKPXHUNOYKTNE-JOCHJYFZSA-N 0 0 394.496 3.770 20 10 GHCDRN O=S1(=O)CCN(Cc2c3c(ccc2O)oc2c3CCCC2)[C@H]2CCCC[C@@H]21 ZINC000754012883 1022423955 /nfs/dbraw/zinc/42/39/55/1022423955.db2.gz LZFRSTNQIDZYRI-JXFKEZNVSA-N 0 0 389.517 3.559 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cccc2ccc(C)nc21 ZINC000754029496 1022431438 /nfs/dbraw/zinc/43/14/38/1022431438.db2.gz ITVJARCOQYRENL-UHFFFAOYSA-N 0 0 383.517 3.820 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@H]1CSc2ccccc21 ZINC000836243172 1022760426 /nfs/dbraw/zinc/76/04/26/1022760426.db2.gz UYNBCUQUYIWWSP-QGZVFWFLSA-N 0 0 399.585 3.929 20 10 GHCDRN CO[C@](C)(CNC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 ZINC000836243485 1022762055 /nfs/dbraw/zinc/76/20/55/1022762055.db2.gz YGUVHUGYHVQDTH-JOCHJYFZSA-N 0 0 399.560 3.601 20 10 GHCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000754546952 1022763147 /nfs/dbraw/zinc/76/31/47/1022763147.db2.gz BXHQNROLOQJFRU-HXUWFJFHSA-N 0 0 387.366 3.543 20 10 GHCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[C@H]1COc2ccccc2C1 ZINC000754547458 1022763948 /nfs/dbraw/zinc/76/39/48/1022763948.db2.gz TVDFNQGREQBHMG-OAHLLOKOSA-N 0 0 383.403 3.652 20 10 GHCDRN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N(Cc1ccco1)Cc1ccccc1O ZINC000754677125 1022824146 /nfs/dbraw/zinc/82/41/46/1022824146.db2.gz UHWYBENCPXZJEC-DFQSSKMNSA-N 0 0 382.460 3.655 20 10 GHCDRN Cc1cc(C(=O)CS[C@H]2CCO[C@@H]2C)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000754727068 1022862213 /nfs/dbraw/zinc/86/22/13/1022862213.db2.gz HVCLKNVXZJBYIK-VFNWGFHPSA-N 0 0 387.501 3.959 20 10 GHCDRN Cc1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(C2CC2)n1 ZINC000836425577 1022964427 /nfs/dbraw/zinc/96/44/27/1022964427.db2.gz COMKBKJITSYLSK-HOTGVXAUSA-N 0 0 397.494 3.950 20 10 GHCDRN CO[C@@H]1CC[C@@H]2OCCN(CC(=O)c3cc(C)n(-c4ccccc4C)c3C)[C@@H]2C1 ZINC000755054358 1023048678 /nfs/dbraw/zinc/04/86/78/1023048678.db2.gz QFTRNOFNYJZQMM-CKUXNOBLSA-N 0 0 396.531 3.854 20 10 GHCDRN CCCc1c(NC(=O)NCc2c(O)cccc2F)cnn1-c1cc(C)ccn1 ZINC001203084705 1023085910 /nfs/dbraw/zinc/08/59/10/1023085910.db2.gz ZNHNQGYGYBPRNE-UHFFFAOYSA-N 0 0 383.427 3.695 20 10 GHCDRN CC[C@@H](C)[C@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)OC ZINC000836547759 1023099720 /nfs/dbraw/zinc/09/97/20/1023099720.db2.gz QZRMGJSCCZEZGQ-KDOFPFPSSA-N 0 0 399.482 3.617 20 10 GHCDRN CN(c1ccc(CNC(=O)N2CCc3cc[nH]c(=O)c3C2)cc1)C1CCCCC1 ZINC000755244380 1023152030 /nfs/dbraw/zinc/15/20/30/1023152030.db2.gz KZXJDOIQUJCQTB-UHFFFAOYSA-N 0 0 394.519 3.824 20 10 GHCDRN C[C@H](NC(=O)Nc1ccc2c(c1)CCC2=O)c1ccc(N2CCOCC2)cc1 ZINC000836712170 1023289520 /nfs/dbraw/zinc/28/95/20/1023289520.db2.gz GAQPROFBQAJSBZ-HNNXBMFYSA-N 0 0 379.460 3.535 20 10 GHCDRN COc1cc(C)c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1OC ZINC000755788963 1023379815 /nfs/dbraw/zinc/37/98/15/1023379815.db2.gz UOTHBCNGCYIQBA-QGZVFWFLSA-N 0 0 385.460 3.539 20 10 GHCDRN COC(=O)c1ncccc1OCC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000755821802 1023391351 /nfs/dbraw/zinc/39/13/51/1023391351.db2.gz OYMREEPNGRJZHU-UHFFFAOYSA-N 0 0 378.428 3.846 20 10 GHCDRN COCCOc1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cc1 ZINC000755981407 1023463655 /nfs/dbraw/zinc/46/36/55/1023463655.db2.gz CJWHTTGAZZEMKL-UHFFFAOYSA-N 0 0 379.478 3.650 20 10 GHCDRN Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1[O-])C2 ZINC000756395081 1023626938 /nfs/dbraw/zinc/62/69/38/1023626938.db2.gz GPSIYLNKEUQLKZ-SKDRFNHKSA-N 0 0 380.261 3.600 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCNc2ccc(C(F)(F)F)cn2)c1 ZINC000756402551 1023629899 /nfs/dbraw/zinc/62/98/99/1023629899.db2.gz UXCMYSNVGLTHHR-LBPRGKRZSA-N 0 0 397.397 3.745 20 10 GHCDRN C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1cc(F)cc(F)c1[O-] ZINC000756410059 1023632635 /nfs/dbraw/zinc/63/26/35/1023632635.db2.gz CWCAZSKJVVLLGF-GFCCVEGCSA-N 0 0 378.394 3.765 20 10 GHCDRN C[C@H]([NH2+]CCCN(C)CC(F)(F)F)c1cc(Br)c(F)cc1[O-] ZINC000756420807 1023638979 /nfs/dbraw/zinc/63/89/79/1023638979.db2.gz WVTUCNDBULSXST-VIFPVBQESA-N 0 0 387.215 3.829 20 10 GHCDRN COCCN1CCC([NH2+][C@@H](C)c2cc(Br)cc(Cl)c2[O-])CC1 ZINC000756459695 1023662530 /nfs/dbraw/zinc/66/25/30/1023662530.db2.gz WTOCYZBJJDEJRD-NSHDSACASA-N 0 0 391.737 3.570 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000756468733 1023669050 /nfs/dbraw/zinc/66/90/50/1023669050.db2.gz FVOUXJGSFWKUIN-AWEZNQCLSA-N 0 0 394.427 3.875 20 10 GHCDRN C[C@H]([NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)c1cc(F)cc(F)c1[O-] ZINC000756502662 1023686624 /nfs/dbraw/zinc/68/66/24/1023686624.db2.gz KIJQHQWFJSTMBU-VFZGTOFNSA-N 0 0 377.309 3.953 20 10 GHCDRN C[C@H]([NH2+]CCOCC1CC1)c1cc(Br)cc(Br)c1[O-] ZINC000756550614 1023710614 /nfs/dbraw/zinc/71/06/14/1023710614.db2.gz JFTGNUUXIGNDJJ-VIFPVBQESA-N 0 0 393.119 3.994 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(Br)cc2F)c1 ZINC000756570763 1023716370 /nfs/dbraw/zinc/71/63/70/1023716370.db2.gz XSWULTIYIDTWAE-JTQLQIEISA-N 0 0 382.229 3.931 20 10 GHCDRN C[C@@H]([NH2+]CCOC[C@@H]1CCCO1)c1cc(Br)cc(Cl)c1[O-] ZINC000756583381 1023721406 /nfs/dbraw/zinc/72/14/06/1023721406.db2.gz NLVQKOCVYKOGDP-PWSUYJOCSA-N 0 0 378.694 3.654 20 10 GHCDRN C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cc(Br)c(F)cc1[O-] ZINC000756645295 1023752339 /nfs/dbraw/zinc/75/23/39/1023752339.db2.gz IRHMXZCNLMVOAD-GHMZBOCLSA-N 0 0 398.251 3.757 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(C)cc2OC[C@H]2CCOC2)c1 ZINC000756644507 1023752377 /nfs/dbraw/zinc/75/23/77/1023752377.db2.gz FGNUTHBSNURIPL-IRXDYDNUSA-N 0 0 399.487 3.753 20 10 GHCDRN CN(CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000756654666 1023756382 /nfs/dbraw/zinc/75/63/82/1023756382.db2.gz XBNRXXPQOHXETQ-NRFANRHFSA-N 0 0 398.459 3.958 20 10 GHCDRN CN(Cc1nc(-c2ccc(Br)s2)no1)c1ccc2c(c1)OCO2 ZINC000756655700 1023757162 /nfs/dbraw/zinc/75/71/62/1023757162.db2.gz YJVORMLPPBCWFL-UHFFFAOYSA-N 0 0 394.250 3.926 20 10 GHCDRN C[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1cc(Br)cc(Cl)c1[O-] ZINC000756682612 1023772902 /nfs/dbraw/zinc/77/29/02/1023772902.db2.gz JJSQQIBLGBBCSD-VIFPVBQESA-N 0 0 377.710 3.764 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@H]2Cn2cnc3ccccc32)cc1F ZINC000756697008 1023779444 /nfs/dbraw/zinc/77/94/44/1023779444.db2.gz ZWFNGCSFRYPNFT-KRWDZBQOSA-N 0 0 395.482 3.616 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCOc2cccc3cccnc32)c1 ZINC000756709447 1023783313 /nfs/dbraw/zinc/78/33/13/1023783313.db2.gz ZNDLFIVRMBTDQV-HNNXBMFYSA-N 0 0 380.444 3.847 20 10 GHCDRN COC(=O)c1c(CNc2cccc(-n3cccn3)c2)c2cc(F)ccc2n1C ZINC001204914945 1033162243 /nfs/dbraw/zinc/16/22/43/1033162243.db2.gz HWTGMPTZCNGASA-UHFFFAOYSA-N 0 0 378.407 3.902 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc(F)cc1[O-] ZINC000756769077 1023808287 /nfs/dbraw/zinc/80/82/87/1023808287.db2.gz JGPYUNQAWIWRKA-KEMVTONXSA-N 0 0 380.822 3.946 20 10 GHCDRN C[C@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1cc(Br)c(F)cc1[O-] ZINC000756770865 1023808935 /nfs/dbraw/zinc/80/89/35/1023808935.db2.gz YAPNZWDQCGBZEL-VOJFVSQTSA-N 0 0 380.257 3.778 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756779168 1023812184 /nfs/dbraw/zinc/81/21/84/1023812184.db2.gz QPWCATQFICOFLJ-AHYKXKOGSA-N 0 0 377.391 3.675 20 10 GHCDRN Cc1cc(C(=O)N(C)CC[C@@H](C)O)c(C)n1-c1ccccc1Br ZINC000756961133 1023886903 /nfs/dbraw/zinc/88/69/03/1023886903.db2.gz GJXSMUZQYPNHDH-CYBMUJFWSA-N 0 0 379.298 3.700 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cnn(C(C)(C)C)c2Br)c1 ZINC000830540457 1023975569 /nfs/dbraw/zinc/97/55/69/1023975569.db2.gz KKRHRCFAFWIBKJ-JTQLQIEISA-N 0 0 396.285 3.606 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(Cc2cc(O)ccc2O)[C@@H](c2ccccc2)C1 ZINC001141156211 1023981577 /nfs/dbraw/zinc/98/15/77/1023981577.db2.gz HCKOCUHEJJYMTQ-LJQANCHMSA-N 0 0 384.476 3.892 20 10 GHCDRN COc1ccccc1OCc1nnc(N(C)Cc2ccccc2O)n1CC1CC1 ZINC000830576812 1023995700 /nfs/dbraw/zinc/99/57/00/1023995700.db2.gz MCNUIUCIVYWPGI-UHFFFAOYSA-N 0 0 394.475 3.618 20 10 GHCDRN CNC(=O)N[C@@H]1CC2(CC[NH+](Cc3cccc(F)c3[O-])CC2)c2cc(C)ccc21 ZINC001138126606 1024171898 /nfs/dbraw/zinc/17/18/98/1024171898.db2.gz FGOWNTJGUUKJNA-HXUWFJFHSA-N 0 0 397.494 3.747 20 10 GHCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC001138126896 1024174022 /nfs/dbraw/zinc/17/40/22/1024174022.db2.gz LVOFLPFCFZDLSL-IFMALSPDSA-N 0 0 386.467 3.514 20 10 GHCDRN CN(Cc1nc2c(s1)CCCC2)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000831008266 1024304232 /nfs/dbraw/zinc/30/42/32/1024304232.db2.gz YEGKWOZVXYZYAH-UHFFFAOYSA-N 0 0 398.557 3.924 20 10 GHCDRN C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@H]1C(=O)NCc1ccc(N)cc1 ZINC000837303176 1024328321 /nfs/dbraw/zinc/32/83/21/1024328321.db2.gz XKMUHEWODXRWFC-MAODMQOUSA-N 0 0 391.515 3.669 20 10 GHCDRN CCCOc1c(Br)cc(C(=O)NCc2ccc(N)cc2)cc1OC ZINC000837303419 1024329541 /nfs/dbraw/zinc/32/95/41/1024329541.db2.gz NGNAHFIEMVKMRD-UHFFFAOYSA-N 0 0 393.281 3.759 20 10 GHCDRN c1cncc(O[C@H]2CC[C@H]3[C@H]2OCCN3Cc2ccc(N3CCCCC3)cc2)c1 ZINC001138215548 1024381214 /nfs/dbraw/zinc/38/12/14/1024381214.db2.gz JIYBYRMNWJNGGO-KMDXXIMOSA-N 0 0 393.531 3.883 20 10 GHCDRN COc1ccc(N2CCN(Cc3c(F)c(F)cc(F)c3F)CC2)c(OC)c1 ZINC001138238381 1024440912 /nfs/dbraw/zinc/44/09/12/1024440912.db2.gz RRGOUCDGZGGTMV-UHFFFAOYSA-N 0 0 384.373 3.582 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2cnn(C(C)(C)C)c2)c(C)n1-c1ccc(F)cn1 ZINC000837452584 1024470439 /nfs/dbraw/zinc/47/04/39/1024470439.db2.gz ZXFCBKMPNCYZEA-UHFFFAOYSA-N 0 0 398.438 3.619 20 10 GHCDRN CCN(CC)c1ccnc([C@H]2COCCN2Cc2c3ccccc3n(C)c2C)n1 ZINC001138256682 1024482417 /nfs/dbraw/zinc/48/24/17/1024482417.db2.gz GPEJPZQWYIFYQT-OAQYLSRUSA-N 0 0 393.535 3.696 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@@H]2C(=O)OCC2(C)C)cc1 ZINC000837632849 1024600589 /nfs/dbraw/zinc/60/05/89/1024600589.db2.gz DORHBRKLDBHDGV-GOSISDBHSA-N 0 0 380.448 3.849 20 10 GHCDRN COc1ccncc1CNC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001228993694 1033222463 /nfs/dbraw/zinc/22/24/63/1033222463.db2.gz HWJVXARTMSADHH-UHFFFAOYSA-N 0 0 378.476 3.806 20 10 GHCDRN Cc1cc(C(=O)COC(=O)C[C@H]2CCCOC2)c(C)n1-c1ccc(Cl)cn1 ZINC000837698089 1024641995 /nfs/dbraw/zinc/64/19/95/1024641995.db2.gz ZREKWYIEHVNIPV-OAHLLOKOSA-N 0 0 390.867 3.685 20 10 GHCDRN Cc1nc2ccccc2cc1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837705155 1024649468 /nfs/dbraw/zinc/64/94/68/1024649468.db2.gz RCPDBFCUTDROTN-UHFFFAOYSA-N 0 0 397.425 3.588 20 10 GHCDRN C[C@H](CC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000837706816 1024650793 /nfs/dbraw/zinc/65/07/93/1024650793.db2.gz GNYUUXDPXVXVQC-CQSZACIVSA-N 0 0 392.421 3.751 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cc(F)ccc1Cl ZINC000837715214 1024657889 /nfs/dbraw/zinc/65/78/89/1024657889.db2.gz RWLXNFMGMDBDCM-UHFFFAOYSA-N 0 0 384.785 3.524 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)Nc1c(F)cccc1Cl ZINC000831636606 1024693706 /nfs/dbraw/zinc/69/37/06/1024693706.db2.gz BYRJMBAITMHVHH-UHFFFAOYSA-N 0 0 399.800 3.916 20 10 GHCDRN CN1CCCc2cc(CN3CCc4onc(COc5ccccn5)c4C3)ccc21 ZINC001138357840 1024723075 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/nfs/dbraw/zinc/01/26/71/1028012671.db2.gz QAQMHPUHGVEFBP-UHFFFAOYSA-N 0 0 398.418 3.820 20 10 GHCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000840977428 1028017866 /nfs/dbraw/zinc/01/78/66/1028017866.db2.gz HQJFSPKNAASYME-CABZTGNLSA-N 0 0 393.119 3.558 20 10 GHCDRN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000840997753 1028028911 /nfs/dbraw/zinc/02/89/11/1028028911.db2.gz JSAKPMISJJVCMH-HLIPFELVSA-N 0 0 387.480 3.803 20 10 GHCDRN CO[C@H](CS(=O)(=O)NCc1cc(C)n(-c2ccccc2)c1C)c1ccccc1 ZINC001213351908 1028129098 /nfs/dbraw/zinc/12/90/98/1028129098.db2.gz PDDSEJUZVYKQEQ-JOCHJYFZSA-N 0 0 398.528 3.901 20 10 GHCDRN Cc1cc(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccccc1 ZINC001213351907 1028129334 /nfs/dbraw/zinc/12/93/34/1028129334.db2.gz PBYUHFQYXUCUTO-UHFFFAOYSA-N 0 0 399.472 3.622 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3ccc(-n4cncn4)nc3)n2)cc1 ZINC001213352681 1028131517 /nfs/dbraw/zinc/13/15/17/1028131517.db2.gz 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ZINC000841583301 1028746137 /nfs/dbraw/zinc/74/61/37/1028746137.db2.gz SYHMCFYVNKXZFF-OXQOHEQNSA-N 0 0 382.508 3.770 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC001461436954 1069549860 /nfs/dbraw/zinc/54/98/60/1069549860.db2.gz SDLLIZVXKZCDSP-MAUKXSAKSA-N 0 0 398.247 3.689 20 10 GHCDRN O=C(c1ccccc1)c1ccc(O)c(C[NH+]2CCC(OC3CCC3)CC2)c1[O-] ZINC000841687486 1028834649 /nfs/dbraw/zinc/83/46/49/1028834649.db2.gz KPMSCZNTZWFVCN-UHFFFAOYSA-N 0 0 381.472 3.862 20 10 GHCDRN O=C([O-])C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cccs1 ZINC000841800547 1028945807 /nfs/dbraw/zinc/94/58/07/1028945807.db2.gz GOYZDFAWUJKBEP-OAHLLOKOSA-N 0 0 389.477 3.952 20 10 GHCDRN CCC(CC)(CNC(=O)NCCc1ccc(N)cc1)c1ccc(OC)c(OC)c1 ZINC000841876590 1028983760 /nfs/dbraw/zinc/98/37/60/1028983760.db2.gz HLZDLZAIXPIVEX-UHFFFAOYSA-N 0 0 399.535 3.886 20 10 GHCDRN Nc1ccc(CCNC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000841957602 1029011933 /nfs/dbraw/zinc/01/19/33/1029011933.db2.gz SEMMSRSEDUHEOK-SFHVURJKSA-N 0 0 394.302 3.901 20 10 GHCDRN O=C1N(CC2CC2)c2ccccc2C12CC[NH+](Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142517719 1029021177 /nfs/dbraw/zinc/02/11/77/1029021177.db2.gz XPLJMXXNPPTHSW-UHFFFAOYSA-N 0 0 398.453 3.961 20 10 GHCDRN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(Cc1cc(F)c(F)cc1O)C2 ZINC001142520979 1029024310 /nfs/dbraw/zinc/02/43/10/1029024310.db2.gz SGOAGJNCMKUGEH-UHFFFAOYSA-N 0 0 396.441 3.791 20 10 GHCDRN Cc1cc(C(=O)Cn2nc(C3CC3)nc2C2CC2)c(C)n1-c1ccc(F)cn1 ZINC000842035362 1029036816 /nfs/dbraw/zinc/03/68/16/1029036816.db2.gz MAOZXSALUIYHII-UHFFFAOYSA-N 0 0 379.439 3.857 20 10 GHCDRN CCOc1cc(Br)ccc1-c1noc(-c2cccc(O)c2O)n1 ZINC001215145958 1029059059 /nfs/dbraw/zinc/05/90/59/1029059059.db2.gz UPGZBWNPOCCLFR-UHFFFAOYSA-N 0 0 377.194 3.976 20 10 GHCDRN O=C(NCc1c(O)cccc1F)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC001215221634 1029097594 /nfs/dbraw/zinc/09/75/94/1029097594.db2.gz WKDKNNOIVRHEKM-CYBMUJFWSA-N 0 0 378.375 3.550 20 10 GHCDRN Cc1ccc(I)cc1-c1noc(-c2ccc(O)c(O)c2)n1 ZINC001215304789 1029142667 /nfs/dbraw/zinc/14/26/67/1029142667.db2.gz ZNXPHBIZYSAUBM-UHFFFAOYSA-N 0 0 394.168 3.728 20 10 GHCDRN Oc1cc(-c2nc(-c3cc(F)c(Br)c(F)c3)no2)cc(O)c1O ZINC001215327817 1029156346 /nfs/dbraw/zinc/15/63/46/1029156346.db2.gz VGHLLWLXIHJGQW-UHFFFAOYSA-N 0 0 385.120 3.561 20 10 GHCDRN Cc1ccc(F)c(CCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1 ZINC000842261168 1029171381 /nfs/dbraw/zinc/17/13/81/1029171381.db2.gz ZPWTUTDWSZYIFF-UHFFFAOYSA-N 0 0 376.815 3.500 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3csc(-c4ccc(C)o4)n3)C2)cc1 ZINC001461491686 1069575683 /nfs/dbraw/zinc/57/56/83/1069575683.db2.gz DEBUBIDPPFLXRN-CQSZACIVSA-N 0 0 383.473 3.729 20 10 GHCDRN CCc1oc2ccccc2c1CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001461495833 1069577462 /nfs/dbraw/zinc/57/74/62/1069577462.db2.gz NEJCGEHHZPILSZ-INIZCTEOSA-N 0 0 378.472 3.941 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(F)c(C(F)(F)F)c3)C2)cc1 ZINC001461498312 1069579068 /nfs/dbraw/zinc/57/90/68/1069579068.db2.gz ZARRSGFETMTOAH-CYBMUJFWSA-N 0 0 382.357 3.862 20 10 GHCDRN Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccc2cccnc2c1O ZINC001142728293 1029352414 /nfs/dbraw/zinc/35/24/14/1029352414.db2.gz QJIRKNQOWHKDTI-UHFFFAOYSA-N 0 0 386.455 3.602 20 10 GHCDRN O=C(NCc1ccc2cccnc2c1O)c1cccn2cc(C(F)(F)F)nc12 ZINC001142731095 1029356731 /nfs/dbraw/zinc/35/67/31/1029356731.db2.gz JRZLYPSCJYGICO-UHFFFAOYSA-N 0 0 386.333 3.537 20 10 GHCDRN O=C(Nc1ccccc1CN1CCCC1=O)c1cc2cc(O)c(O)cc2s1 ZINC001142830717 1029543910 /nfs/dbraw/zinc/54/39/10/1029543910.db2.gz CBUJEWKHXMDEMD-UHFFFAOYSA-N 0 0 382.441 3.687 20 10 GHCDRN Cc1cc(CNC(=O)Nc2nccc(N(C)C)n2)c(C)n1-c1cccc(C)c1 ZINC001216269767 1029590087 /nfs/dbraw/zinc/59/00/87/1029590087.db2.gz WWUSEAFRDIWDTM-UHFFFAOYSA-N 0 0 378.480 3.580 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)Cc3cc(F)c(F)cc3F)C2)cc1 ZINC000842874796 1029651066 /nfs/dbraw/zinc/65/10/66/1029651066.db2.gz IESQPYPMNQERFD-CYBMUJFWSA-N 0 0 379.378 3.725 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)[C@@H](C)OCCc3ccccc3)C2)cc1 ZINC000842875052 1029653014 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20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](Cc3ccc(F)cc3)C(C)C)C2)cc1 ZINC001222316502 1030067556 /nfs/dbraw/zinc/06/75/56/1030067556.db2.gz KAGXQWVNWQYXDE-DENIHFKCSA-N 0 0 399.510 3.980 20 10 GHCDRN [O-]c1c(CN2CC[C@@]3(C2)CCCC[NH2+]3)cc(Br)cc1C(F)(F)F ZINC001222435819 1030128764 /nfs/dbraw/zinc/12/87/64/1030128764.db2.gz SVEJYQIBKUKELT-OAHLLOKOSA-N 0 0 393.247 3.892 20 10 GHCDRN COc1ccc(F)cc1-c1noc(-c2ccc(S(=O)(=O)[N-][N+]#N)cc2)n1 ZINC001217093777 1030156854 /nfs/dbraw/zinc/15/68/54/1030156854.db2.gz SPWYHAXIMHQYCJ-UHFFFAOYSA-N 0 0 375.341 3.550 20 10 GHCDRN O=C(Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O)c1ccc2ocnc2c1 ZINC001149385170 1030157561 /nfs/dbraw/zinc/15/75/61/1030157561.db2.gz MBUDANXPRZVCGB-UHFFFAOYSA-N 0 0 384.347 3.561 20 10 GHCDRN O=C(Cc1ccc(O)c(O)c1)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC001149542006 1030216023 /nfs/dbraw/zinc/21/60/23/1030216023.db2.gz COSAPSTULCJZKF-UHFFFAOYSA-N 0 0 377.362 3.975 20 10 GHCDRN COC(=O)c1cc(NC(=O)NCc2cccc(Cl)c2O)cc(Cl)c1F ZINC001217264984 1030269052 /nfs/dbraw/zinc/26/90/52/1030269052.db2.gz CCAPSINGWNLHBP-UHFFFAOYSA-N 0 0 387.194 3.946 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3ccc4c(c3)C(=O)C(=O)N4)n2)cc1 ZINC001217354019 1030329482 /nfs/dbraw/zinc/32/94/82/1030329482.db2.gz ZFUWNFDQLXADJG-UHFFFAOYSA-N 0 0 384.395 3.946 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@]2(C)COc3ccccc3O2)c1 ZINC001461658827 1069663498 /nfs/dbraw/zinc/66/34/98/1069663498.db2.gz ILBVRGNNXWTVBK-GOSISDBHSA-N 0 0 378.266 3.783 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3n[nH]c(=O)c4ncccc34)n2)cc1 ZINC001217517181 1030459369 /nfs/dbraw/zinc/45/93/69/1030459369.db2.gz HZDHONFXHIWJNG-UHFFFAOYSA-N 0 0 384.399 3.855 20 10 GHCDRN COc1ccc(N2CCN(C(=O)C3(c4cccc(C)c4)CCC3)CC2)cc1F ZINC001150240775 1030462456 /nfs/dbraw/zinc/46/24/56/1030462456.db2.gz SCETYVNWCJEXRO-UHFFFAOYSA-N 0 0 382.479 3.913 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)NC[C@]3(C)CCCO3)cc2Cl)C1 ZINC001223386035 1030549343 /nfs/dbraw/zinc/54/93/43/1030549343.db2.gz RVDPUEOTUBUINQ-YWZLYKJASA-N 0 0 379.932 3.945 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCc2ccc3c(c2)OC(F)(F)O3)c1 ZINC001150543850 1030563445 /nfs/dbraw/zinc/56/34/45/1030563445.db2.gz VQSGVHCWFDTPGI-LLVKDONJSA-N 0 0 379.359 3.532 20 10 GHCDRN CC(C)C(=O)c1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC001217844800 1030660249 /nfs/dbraw/zinc/66/02/49/1030660249.db2.gz KRKXZICJVWRFDT-UHFFFAOYSA-N 0 0 395.503 3.808 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](CC(=O)OC(C)C)C2)cc1 ZINC001224055357 1030865469 /nfs/dbraw/zinc/86/54/69/1030865469.db2.gz MDBOMJGCHBRKGG-LJQANCHMSA-N 0 0 389.540 3.796 20 10 GHCDRN CCN1CCN(C(=O)c2ccc(NCc3c(O)ccc(Cl)c3F)cc2)CC1 ZINC001461722564 1069702833 /nfs/dbraw/zinc/70/28/33/1069702833.db2.gz NSGHJBSCVKBDNN-UHFFFAOYSA-N 0 0 391.874 3.575 20 10 GHCDRN Cc1cc(C)c(CNC(=O)c2ccc3c(cnn3[C@H]3CCCCO3)c2)c(O)c1 ZINC001151586996 1030951214 /nfs/dbraw/zinc/95/12/14/1030951214.db2.gz KKHCYLTZWGLYRF-OAQYLSRUSA-N 0 0 379.460 3.988 20 10 GHCDRN COc1ccccc1OC[C@@H](C)CNC(=O)NCc1cc(Cl)ccc1O ZINC001224323396 1030967437 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COC(=O)c1ccc2c(c1)nc(Cl)nc2N(C)Cc1ccc(N(C)C)cc1 ZINC001156924343 1033321694 /nfs/dbraw/zinc/32/16/94/1033321694.db2.gz YGLULKFWFNPLKN-UHFFFAOYSA-N 0 0 384.867 3.772 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2Cc1sc(N2CCCC2)nc1Cl ZINC001205278289 1033337677 /nfs/dbraw/zinc/33/76/77/1033337677.db2.gz YNXODIODKGTZFB-UHFFFAOYSA-N 0 0 378.929 3.862 20 10 GHCDRN C[C@H]1CCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])C[C@H]1C[NH3+] ZINC001205314397 1033355117 /nfs/dbraw/zinc/35/51/17/1033355117.db2.gz BLNHDCBBCFBSMP-GXSJLCMTSA-N 0 0 381.236 3.590 20 10 GHCDRN COc1ccc2c(c1OC1CCC3(CC1)OCCO3)C(=O)c1ccccc1C2=O ZINC001229243739 1033363429 /nfs/dbraw/zinc/36/34/29/1033363429.db2.gz XIEYUDBKJSHHQL-UHFFFAOYSA-N 0 0 394.423 3.535 20 10 GHCDRN O=C(Cc1ccn(-c2ccc(F)cc2)n1)NCc1c(O)ccc2ccccc21 ZINC001157041281 1033384388 /nfs/dbraw/zinc/38/43/88/1033384388.db2.gz BJAKNGWYCAPPML-UHFFFAOYSA-N 0 0 375.403 3.729 20 10 GHCDRN CN(Cc1cccs1)c1ccc(CN(CC(N)=O)Cc2ccccc2)cc1 ZINC001461848764 1069790621 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Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@H]2CC[C@H](C3CC3)O2)cc1 ZINC001157554199 1033656628 /nfs/dbraw/zinc/65/66/28/1033656628.db2.gz ZJEXEZMENOXAJZ-FGZHOGPDSA-N 0 0 380.488 3.523 20 10 GHCDRN Cn1ccc(Nc2ccc(Br)cc2C(=O)c2ccccn2)cc1=O ZINC001206123199 1033728585 /nfs/dbraw/zinc/72/85/85/1033728585.db2.gz PFEHBUOGRSTOFW-UHFFFAOYSA-N 0 0 384.233 3.517 20 10 GHCDRN Oc1c(CNc2cc(N3CCSCC3)ncn2)cc(Cl)c2cccnc12 ZINC001157728094 1033743309 /nfs/dbraw/zinc/74/33/09/1033743309.db2.gz ZCUSAJDZYLOXGI-UHFFFAOYSA-N 0 0 387.896 3.549 20 10 GHCDRN C[C@@H](COc1ccccc1)NC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001206558070 1033906823 /nfs/dbraw/zinc/90/68/23/1033906823.db2.gz HWIXRKUIHDDDNA-INIZCTEOSA-N 0 0 387.443 3.985 20 10 GHCDRN COc1ccc(N2CCN(C/C(C)=C/c3cccc([N+](=O)[O-])c3)CC2)cc1F ZINC001461880630 1069826843 /nfs/dbraw/zinc/82/68/43/1069826843.db2.gz AWOWXNONBZVCFY-FOWTUZBSSA-N 0 0 385.439 3.968 20 10 GHCDRN Cc1ncsc1CN1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001206989393 1034043636 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GHCDRN Fc1cnc2ccc(N3CCN(c4ccc(OC(F)(F)F)cc4)CC3)nc2c1 ZINC001158871908 1034314619 /nfs/dbraw/zinc/31/46/19/1034314619.db2.gz RIWGENQPYLJZME-UHFFFAOYSA-N 0 0 392.356 3.994 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](C)Cc2ccccn2)CCCC1 ZINC001277483232 1034372755 /nfs/dbraw/zinc/37/27/55/1034372755.db2.gz IVWTYIPVTIEGCB-INIZCTEOSA-N 0 0 377.488 3.671 20 10 GHCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H](CCO)c2cccc(C(F)(F)F)c2)cc1 ZINC001159012534 1034381627 /nfs/dbraw/zinc/38/16/27/1034381627.db2.gz OZNBLQYMRZRANQ-HNNXBMFYSA-N 0 0 394.353 3.721 20 10 GHCDRN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCc1cccc(Cl)c1O ZINC001159034598 1034393720 /nfs/dbraw/zinc/39/37/20/1034393720.db2.gz YIRHBSVSULEWTQ-GOSISDBHSA-N 0 0 388.895 3.815 20 10 GHCDRN Cc1cc(C(=O)Nc2cnc3c(c2)CNC3=O)c(C)n1-c1cccc(Cl)c1 ZINC001159092589 1034423106 /nfs/dbraw/zinc/42/31/06/1034423106.db2.gz JZSNIQNQBJHCBF-UHFFFAOYSA-N 0 0 380.835 3.638 20 10 GHCDRN COC(=O)[C@H](Cc1ccccc1)Oc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001231266369 1034492620 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ZRKOPRXMKMAALT-QGZVFWFLSA-N 0 0 381.350 3.683 20 10 GHCDRN O=C([O-])c1ccc(O)c(C[NH+]2CCN(Cc3ccc4ccccc4c3)CC2)c1 ZINC001231566296 1034715264 /nfs/dbraw/zinc/71/52/64/1034715264.db2.gz WXIYJVJANCVRHV-UHFFFAOYSA-N 0 0 376.456 3.561 20 10 GHCDRN Cc1nc(COCc2cnc3n2CCN(Cc2cccc(C)c2O)[C@@H]3C)cs1 ZINC001231593286 1034747416 /nfs/dbraw/zinc/74/74/16/1034747416.db2.gz UHLLVDXEQMFWJE-OAHLLOKOSA-N 0 0 398.532 3.956 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCNC(=O)OCc2ccccc2)cc1 ZINC001159930239 1034790677 /nfs/dbraw/zinc/79/06/77/1034790677.db2.gz IQIZDJSJHRMTMB-UHFFFAOYSA-N 0 0 391.471 3.750 20 10 GHCDRN Cc1cc(O)c(CN2CCc3onc(COc4ccccn4)c3C2)cc1Cl ZINC001231869335 1034956122 /nfs/dbraw/zinc/95/61/22/1034956122.db2.gz LRPPTFRCKDCZJS-UHFFFAOYSA-N 0 0 385.851 3.874 20 10 GHCDRN Cc1cc(O)c(CN2Cc3cncn3C[C@@H](COc3ccccn3)C2)cc1Cl ZINC001231869375 1034956379 /nfs/dbraw/zinc/95/63/79/1034956379.db2.gz NEYLXTSEASFIER-INIZCTEOSA-N 0 0 398.894 3.657 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2COc3ccccc3[C@@H]2O)c(C)n1-c1cc(C)cc(C)c1 ZINC001160368399 1034959319 /nfs/dbraw/zinc/95/93/19/1034959319.db2.gz IQAATNJGTPBRGC-GMAHTHKFSA-N 0 0 390.483 3.935 20 10 GHCDRN CN1C[C@H](c2ccccc2)C2(CC[NH+](Cc3cccc(Cl)c3[O-])CC2)C1=O ZINC001231911226 1034985243 /nfs/dbraw/zinc/98/52/43/1034985243.db2.gz GHVKTCIFRVRRKZ-GOSISDBHSA-N 0 0 384.907 3.884 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(CN2CCn3c(COC(C)C)nnc3C2)cc1 ZINC001209516421 1035299588 /nfs/dbraw/zinc/29/95/88/1035299588.db2.gz GCFIYUZIDNTOLR-UHFFFAOYSA-N 0 0 379.508 3.626 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3cc(F)c(Cl)cc3OC)C2)cc1 ZINC001209629892 1035337354 /nfs/dbraw/zinc/33/73/54/1035337354.db2.gz PUFGTTRXGVCUEE-GFCCVEGCSA-N 0 0 393.846 3.897 20 10 GHCDRN CN(C)c1cc(F)c(C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1F ZINC001461976681 1069924884 /nfs/dbraw/zinc/92/48/84/1069924884.db2.gz HMWWZMODCIKPTL-UHFFFAOYSA-N 0 0 383.483 3.862 20 10 GHCDRN S=C(NCc1cccc(OC2COC2)n1)Nc1ccc(Cl)cc1Cl ZINC001248531842 1035937950 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GHCDRN CCN(CCNC(=S)Nc1ccc(N2CCOCC2)cc1)c1cccc(C)c1 ZINC001247181337 1037972474 /nfs/dbraw/zinc/97/24/74/1037972474.db2.gz PGIHYYUINYSTKR-UHFFFAOYSA-N 0 0 398.576 3.645 20 10 GHCDRN COc1cc(O)c(C[N@@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)cc1Cl ZINC001232265534 1037985965 /nfs/dbraw/zinc/98/59/65/1037985965.db2.gz OEWIXWGPHSPTEO-BBRMVZONSA-N 0 0 393.940 3.607 20 10 GHCDRN COc1cc(O)c(CN2CCC[C@@H](NC(=O)c3ccccc3F)C2)cc1Cl ZINC001232270385 1037994439 /nfs/dbraw/zinc/99/44/39/1037994439.db2.gz BGFXZDMMSUQVJV-CQSZACIVSA-N 0 0 392.858 3.588 20 10 GHCDRN COC(=O)c1c(CN2C[C@H](C)OC[C@@H]2c2ccccc2)c2ccccc2n1C ZINC001232404760 1038186959 /nfs/dbraw/zinc/18/69/59/1038186959.db2.gz YLKVJLBGVIFEFP-HRAATJIYSA-N 0 0 378.472 3.927 20 10 GHCDRN CCOC(=O)c1sc(-c2ccc(O)c(CN3Cc4ccncc4C3)c2)nc1C ZINC001232454035 1038238554 /nfs/dbraw/zinc/23/85/54/1038238554.db2.gz RFTPCHDKKYEVTP-UHFFFAOYSA-N 0 0 395.484 3.912 20 10 GHCDRN Cc1c(Br)ccc(-c2noc(Cc3ccc(O)c(O)c3)n2)c1F ZINC001247958863 1038515254 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381.245 3.651 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCc1noc2ccc(F)cc21 ZINC001235319835 1040791507 /nfs/dbraw/zinc/79/15/07/1040791507.db2.gz SYICTVZWYYIYMM-UHFFFAOYSA-N 0 0 382.439 3.909 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3scc(Br)c3C)C2)cc1 ZINC001278861772 1040970203 /nfs/dbraw/zinc/97/02/03/1040970203.db2.gz NVQSPZFXXGPBDG-GFCCVEGCSA-N 0 0 395.322 3.836 20 10 GHCDRN [O-]c1c(F)ccc(F)c1CN1CC[NH2+][C@@H](c2cccc(Br)c2)C1 ZINC001235792157 1041285776 /nfs/dbraw/zinc/28/57/76/1041285776.db2.gz LWHPKBYGKROBKW-MRXNPFEDSA-N 0 0 383.236 3.579 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CCCC[C@](O)(C(F)(F)F)C2)c1 ZINC001236664802 1041811800 /nfs/dbraw/zinc/81/18/00/1041811800.db2.gz XIAXZAWXPHITCC-CQSZACIVSA-N 0 0 382.220 3.742 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)c1 ZINC001236664463 1041812103 /nfs/dbraw/zinc/81/21/03/1041812103.db2.gz DSVHFGFWCLXWCV-UHFFFAOYSA-N 0 0 388.309 3.731 20 10 GHCDRN COc1ccc(N2CCN(Cc3c(Br)cccc3OC)CC2)cc1 ZINC001236670316 1041818374 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COc1ccc(C[NH+]2CC3(C2)CCN(Cc2csc(C)n2)C3)c([O-])c1Cl ZINC001236813515 1041912930 /nfs/dbraw/zinc/91/29/30/1041912930.db2.gz NULSRIOEFKVMPF-UHFFFAOYSA-N 0 0 393.940 3.527 20 10 GHCDRN COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1Cl ZINC001236818304 1041915074 /nfs/dbraw/zinc/91/50/74/1041915074.db2.gz LQFJJHZSJYBCFF-NWANDNLSSA-N 0 0 396.915 3.789 20 10 GHCDRN COC(=O)[C@H]1[C@H](c2ccccc2)OCCN1Cc1cc2ccccc2cc1O ZINC001236835057 1041922817 /nfs/dbraw/zinc/92/28/17/1041922817.db2.gz GUCYLZRZCBVMDB-YADHBBJMSA-N 0 0 377.440 3.661 20 10 GHCDRN Clc1cc(N2CCOCC2)ccc1CN1CC[C@H]1COCc1ccccc1 ZINC001236926743 1041961612 /nfs/dbraw/zinc/96/16/12/1041961612.db2.gz KAAWHKZENJAWJA-NRFANRHFSA-N 0 0 386.923 3.968 20 10 GHCDRN CCOc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)c(O)c1 ZINC001237043324 1042003058 /nfs/dbraw/zinc/00/30/58/1042003058.db2.gz PQBUZEXWLNUZMI-JTHBVZDNSA-N 0 0 398.503 3.526 20 10 GHCDRN Cc1ccc(C(=O)N2CCN(Cc3c(O)ccc(Cl)c3Cl)CC2)cc1 ZINC001237083466 1042028846 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3.953 20 10 GHCDRN COc1cc(CN2CCc3cc(Br)ccc3C2)c(O)c(OC)c1 ZINC001237674421 1042317403 /nfs/dbraw/zinc/31/74/03/1042317403.db2.gz GXFGAYOCIYCTCW-UHFFFAOYSA-N 0 0 378.266 3.730 20 10 GHCDRN COC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(Br)c(C)cc1O ZINC001237682322 1042322625 /nfs/dbraw/zinc/32/26/25/1042322625.db2.gz QXTYTIOWJHYZFI-QGZVFWFLSA-N 0 0 390.277 3.563 20 10 GHCDRN CC(C)[NH+]1CCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])CC1 ZINC001237782751 1042366120 /nfs/dbraw/zinc/36/61/20/1042366120.db2.gz BCZWBCRXGQCRJA-UHFFFAOYSA-N 0 0 381.236 3.700 20 10 GHCDRN C[C@@H]1C[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2[O-])CCC[C@H]1O ZINC001237783195 1042366189 /nfs/dbraw/zinc/36/61/89/1042366189.db2.gz FVEXGRDSOFGZCG-NOZJJQNGSA-N 0 0 382.220 3.766 20 10 GHCDRN COc1ccc(Br)c(CN2CCCc3cc(O)c(O)cc3C2)c1F ZINC001237929272 1042425173 /nfs/dbraw/zinc/42/51/73/1042425173.db2.gz XXHXHOWHUMWYNO-UHFFFAOYSA-N 0 0 396.256 3.956 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(Cc2cc(F)c(Cl)cc2O)C[C@H](F)C1 ZINC001237934168 1042426713 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Cc1cc(N(C)C)ccc1Cn1c(C2CC2)nnc1N(C)Cc1ccccn1 ZINC001289424122 1049480566 /nfs/dbraw/zinc/48/05/66/1049480566.db2.gz RVUKXOLNJVTDQU-UHFFFAOYSA-N 0 0 376.508 3.610 20 10 GHCDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCSc1nccs1 ZINC000733879504 1049553417 /nfs/dbraw/zinc/55/34/17/1049553417.db2.gz RCCWTFSTUAGKEP-LLVKDONJSA-N 0 0 383.520 3.831 20 10 GHCDRN COC(=O)[C@@H](NC(=O)Cc1cc(C)n(-c2ccccc2)c1C)c1ccccc1 ZINC001289600981 1049557061 /nfs/dbraw/zinc/55/70/61/1049557061.db2.gz XPHYFDIVXAMYIS-QFIPXVFZSA-N 0 0 376.456 3.667 20 10 GHCDRN Cc1c(F)cccc1N(CC(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCO[C@@H]1C ZINC001307996945 1049746795 /nfs/dbraw/zinc/74/67/95/1049746795.db2.gz NSIOFOYXWADXHL-VGSWGCGISA-N 0 0 399.510 3.500 20 10 GHCDRN Cc1nnc(N2C[C@@H](C)CC[C@@H]2C)n1Cc1ccc(N2CCSCC2)cc1 ZINC001290750283 1049916527 /nfs/dbraw/zinc/91/65/27/1049916527.db2.gz CODFDDLKMIUPTA-IRXDYDNUSA-N 0 0 385.581 3.813 20 10 GHCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c1 ZINC001308268359 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GHCDRN Cc1cc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2)c(C)n1-c1ccccc1C ZINC001443022128 1059048022 /nfs/dbraw/zinc/04/80/22/1059048022.db2.gz VFVASHAOVNCMNJ-QFIPXVFZSA-N 0 0 387.483 3.716 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)C[C@H]3C(=O)Nc4c3cccc4F)cc2)CC1 ZINC001443669757 1059171192 /nfs/dbraw/zinc/17/11/92/1059171192.db2.gz YQCVDOQTWDTAMV-LJQANCHMSA-N 0 0 395.478 3.804 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(F)c(Cl)c(N)c1Cl ZINC001444697057 1059365119 /nfs/dbraw/zinc/36/51/19/1059365119.db2.gz GMYGPNXGAWOTCG-UHFFFAOYSA-N 0 0 384.238 3.820 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)c1cc2nc(C)cc(C(F)(F)F)n2n1 ZINC001445655947 1059588168 /nfs/dbraw/zinc/58/81/68/1059588168.db2.gz OYHIWPFMPCTBPT-UHFFFAOYSA-N 0 0 392.381 3.815 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCOc1ccc(Cl)cn1 ZINC001446048686 1059684819 /nfs/dbraw/zinc/68/48/19/1059684819.db2.gz JKLSXKLNWNXJFT-UHFFFAOYSA-N 0 0 397.862 3.764 20 10 GHCDRN Cc1cc(CC(=O)N2CCC[C@@H]2[C@H](O)C(F)(F)F)c(C)n1-c1ccccc1 ZINC001446531345 1059793241 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C[C@@H](c1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)cc1)N1CCOCC1 ZINC001464979768 1065303589 /nfs/dbraw/zinc/30/35/89/1065303589.db2.gz LEDXWVHVGPZDAJ-ZDUSSCGKSA-N 0 0 398.484 3.958 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(-c2ccc(C=O)o2)ccc1O ZINC001465028114 1065337258 /nfs/dbraw/zinc/33/72/58/1065337258.db2.gz DQCGEYMFOQUZTM-UHFFFAOYSA-N 0 0 378.428 3.769 20 10 GHCDRN Cc1cc(CNC(=O)Nc2ccc(C(N)=O)c(C)c2)c(C)n1-c1ccccc1 ZINC001200164203 1065441758 /nfs/dbraw/zinc/44/17/58/1065441758.db2.gz OADBYSLFSKNSTF-UHFFFAOYSA-N 0 0 376.460 3.823 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)N1Cc2ccccc2C1=O ZINC001352945370 1065501327 /nfs/dbraw/zinc/50/13/27/1065501327.db2.gz QSZIQHMVJKNUKL-QGZVFWFLSA-N 0 0 379.504 3.534 20 10 GHCDRN Cc1cc(C(=O)N2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)c(C)n1-c1ccc(C(C)C)cc1 ZINC001300178571 1065575466 /nfs/dbraw/zinc/57/54/66/1065575466.db2.gz CAZVUEBYODGGHT-LZLYRXPVSA-N 0 0 381.520 3.955 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)C2(c3ccc(C)c(C)c3)CCOCC2)c1 ZINC000847590775 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1066175583 /nfs/dbraw/zinc/17/55/83/1066175583.db2.gz FVFARUWKQHSHFW-XIKOKIGWSA-N 0 0 391.309 3.700 20 10 GHCDRN CCC[C@H]1C(=O)NCCN1C(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C ZINC001466646682 1066232314 /nfs/dbraw/zinc/23/23/14/1066232314.db2.gz DZQLGXOIWOKZGS-NRFANRHFSA-N 0 0 381.520 3.958 20 10 GHCDRN CC(C)c1ccc2c(c1)CCN(C(=O)NCc1ccc(N3CCOCC3)cc1)C2 ZINC001477598308 1078484149 /nfs/dbraw/zinc/48/41/49/1078484149.db2.gz HRTPZABDZJNGAY-UHFFFAOYSA-N 0 0 393.531 3.915 20 10 GHCDRN Cc1cc(C(=O)NC[C@@H]2CCCC2=O)c(C)n1-c1ccccc1Br ZINC001467232036 1067166304 /nfs/dbraw/zinc/16/63/04/1067166304.db2.gz PTMAETGUDMFTFF-AWEZNQCLSA-N 0 0 389.293 3.956 20 10 GHCDRN O=C(NCCC1CCC(F)(F)CC1)NCc1ccc(N2CCOCC2)cc1 ZINC001477598643 1078484837 /nfs/dbraw/zinc/48/48/37/1078484837.db2.gz KMIBKKQPGQSEKK-UHFFFAOYSA-N 0 0 381.467 3.538 20 10 GHCDRN COc1cccc2c1OCCC[C@H]2NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001477652710 1078509607 /nfs/dbraw/zinc/50/96/07/1078509607.db2.gz HDTWCYXZXJYDGM-QGZVFWFLSA-N 0 0 387.455 3.613 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(Cl)c3c(c2)OCCO3)c1 ZINC001467562739 1067360683 /nfs/dbraw/zinc/36/06/83/1067360683.db2.gz QZJZXYQTDLDVIL-SNVBAGLBSA-N 0 0 378.812 3.708 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)[C@H]2c3ccccc3C(=O)OC2(C)C)C2CC2)cc1 ZINC001358207417 1067440145 /nfs/dbraw/zinc/44/01/45/1067440145.db2.gz WVURKSOIUATGHK-OAQYLSRUSA-N 0 0 392.499 3.976 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)cc1 ZINC001468121309 1067602123 /nfs/dbraw/zinc/60/21/23/1067602123.db2.gz IDAJJETXEKYUGI-PBHICJAKSA-N 0 0 387.446 3.784 20 10 GHCDRN O=C([O-])[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000849230184 1067772085 /nfs/dbraw/zinc/77/20/85/1067772085.db2.gz DDBDEYZPSAORSZ-KRWDZBQOSA-N 0 0 379.378 3.816 20 10 GHCDRN CC[C@@H](NC(=S)N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1cccs1 ZINC000849271026 1067782407 /nfs/dbraw/zinc/78/24/07/1067782407.db2.gz XSRUWZGNGMGSHP-RHSMWYFYSA-N 0 0 375.563 3.951 20 10 GHCDRN CO[C@@H](CS(=O)(=O)Nc1ccc(O)c(COC(C)C)c1)C1CCCCC1 ZINC000849309163 1067794597 /nfs/dbraw/zinc/79/45/97/1067794597.db2.gz COEBMHSSNAJIGM-IBGZPJMESA-N 0 0 385.526 3.654 20 10 GHCDRN O=Cc1ccc(OCCC(=O)Nc2c(-c3ccccn3)nc3ccccn32)cc1 ZINC001468661063 1067811290 /nfs/dbraw/zinc/81/12/90/1067811290.db2.gz ZRHPXLAFSQFLTL-UHFFFAOYSA-N 0 0 386.411 3.616 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NC[C@H]2COC3(CCCCC3)O2)cc1F ZINC001477846938 1078591604 /nfs/dbraw/zinc/59/16/04/1078591604.db2.gz UPMUARKDJIMXSE-KRWDZBQOSA-N 0 0 393.503 3.547 20 10 GHCDRN COc1ccc(N2CCN(C(=O)N[C@@H]3CC[C@@H]4CCC[C@H]4C3)CC2)cc1F ZINC001477880421 1078609395 /nfs/dbraw/zinc/60/93/95/1078609395.db2.gz LIZJRMYMXFZIIQ-YESZJQIVSA-N 0 0 375.488 3.635 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H](CC(C)C)NCC(F)(F)F ZINC001469103260 1067979269 /nfs/dbraw/zinc/97/92/69/1067979269.db2.gz GZAUHNVDYMZGFF-YJBOKZPZSA-N 0 0 387.490 3.675 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)Cc1ccccc1SCC ZINC001469229703 1068042607 /nfs/dbraw/zinc/04/26/07/1068042607.db2.gz AHGYDRMJQGCFSS-UHFFFAOYSA-N 0 0 387.501 3.639 20 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1068758674 /nfs/dbraw/zinc/75/86/74/1068758674.db2.gz MHAFEQCMUXSNEH-OAHLLOKOSA-N 0 0 375.419 3.699 20 10 GHCDRN CCCN(Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1)c1ccc(CC)cc1 ZINC001460120649 1068792421 /nfs/dbraw/zinc/79/24/21/1068792421.db2.gz SFTUEJRRZXLKBI-UHFFFAOYSA-N 0 0 382.464 3.591 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)Cc1cnc(OC)c2ccccc12 ZINC001460281761 1068905573 /nfs/dbraw/zinc/90/55/73/1068905573.db2.gz YTSRXTBFMKEQGH-UHFFFAOYSA-N 0 0 380.444 3.514 20 10 GHCDRN CCn1cc(-c2nn(C)cc2C(=O)N(C)c2ccc(-c3nccs3)cc2)cn1 ZINC001460761611 1069161872 /nfs/dbraw/zinc/16/18/72/1069161872.db2.gz HMZIWAYGODWENF-UHFFFAOYSA-N 0 0 392.488 3.704 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1Cc2ccccc2OC[C@@H]1C ZINC001470556521 1072623988 /nfs/dbraw/zinc/62/39/88/1072623988.db2.gz XACSRYJFZBSOSN-ROUUACIJSA-N 0 0 381.520 3.985 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(Cc1ccccc1)CC(C)(C)O ZINC001470556375 1072624084 /nfs/dbraw/zinc/62/40/84/1072624084.db2.gz SPDPQRWJXJDRAQ-LJQANCHMSA-N 0 0 397.563 3.975 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2cc(-c3ccccc3OC)no2)c1 ZINC001470930190 1072826549 /nfs/dbraw/zinc/82/65/49/1072826549.db2.gz PMCNVIRUHGAGGP-CYBMUJFWSA-N 0 0 397.431 3.625 20 10 GHCDRN CC[C@@H](NC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C)[C@@H](O)C(F)F ZINC001471032964 1072893073 /nfs/dbraw/zinc/89/30/73/1072893073.db2.gz AWNZOGWQIMLJFU-QZTJIDSGSA-N 0 0 379.451 3.606 20 10 GHCDRN Cc1cc(CNC(=O)NCC[C@H](N(C)C)C(F)(F)F)c(C)n1-c1ccccc1 ZINC001471037363 1072896599 /nfs/dbraw/zinc/89/65/99/1072896599.db2.gz MPDDSWXFADRJIT-SFHVURJKSA-N 0 0 396.457 3.776 20 10 GHCDRN O=C(N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cc2cc(O)c(O)cc2s1 ZINC001471147091 1072941949 /nfs/dbraw/zinc/94/19/49/1072941949.db2.gz IXFDDWSRWKLDNM-ACJLOTCBSA-N 0 0 391.395 3.851 20 10 GHCDRN C[C@H](NC(=O)c1c(O)cnc2c(Br)cccc21)c1ccccc1O ZINC001471195320 1072961748 /nfs/dbraw/zinc/96/17/48/1072961748.db2.gz WIKIILOGIZKJRV-JTQLQIEISA-N 0 0 387.233 3.900 20 10 GHCDRN CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@H](C)c3ccccc3O)cc2)c1C ZINC001471195847 1072962307 /nfs/dbraw/zinc/96/23/07/1072962307.db2.gz NPRQWHWFRVRULI-CQSZACIVSA-N 0 0 393.443 3.554 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)NC(C)(C)COCc3ccccc3)C2)cc1 ZINC001478958073 1079039336 /nfs/dbraw/zinc/03/93/36/1079039336.db2.gz WHDXDGFFPNHRSJ-IBGZPJMESA-N 0 0 397.519 3.569 20 10 GHCDRN Cc1cc(Br)ccc1SCC(=O)NCc1cc(O)ccc1O ZINC001471660962 1073171897 /nfs/dbraw/zinc/17/18/97/1073171897.db2.gz ORNDGDFJESRQLP-UHFFFAOYSA-N 0 0 382.279 3.577 20 10 GHCDRN Cc1cc(C(=O)N2CCNC(=O)CC23CCC3)c(C)n1-c1cccc(Cl)c1 ZINC001471725916 1073197788 /nfs/dbraw/zinc/19/77/88/1073197788.db2.gz ZEFOXYJMXYZNMR-UHFFFAOYSA-N 0 0 385.895 3.632 20 10 GHCDRN COc1ccc([S@@](C)(=O)=NC(=O)c2cc3cc(O)c(O)cc3s2)cc1 ZINC001471989153 1073293125 /nfs/dbraw/zinc/29/31/25/1073293125.db2.gz IAAUGODUYQGDQV-RUZDIDTESA-N 0 0 377.443 3.618 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)NC(C)(C)C)c(C)n1-c1cccc(C)c1 ZINC001471990630 1073294313 /nfs/dbraw/zinc/29/43/13/1073294313.db2.gz NVIVOYYHNIGYGY-FQEVSTJZSA-N 0 0 381.520 3.922 20 10 GHCDRN CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)C1=CC(=O)CS1)CC2 ZINC001472339668 1073433066 /nfs/dbraw/zinc/43/30/66/1073433066.db2.gz GBRMQAPWZDJBKR-INIZCTEOSA-N 0 0 394.537 3.951 20 10 GHCDRN COCCN(CC(F)F)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001479100013 1079102463 /nfs/dbraw/zinc/10/24/63/1079102463.db2.gz RMTBKFKNECKZIN-UHFFFAOYSA-N 0 0 379.451 3.826 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1ncnc(C(F)(F)F)c1Br ZINC001472755152 1073651590 /nfs/dbraw/zinc/65/15/90/1073651590.db2.gz NEHULAKFZKQNNW-ZETCQYMHSA-N 0 0 392.175 3.712 20 10 GHCDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC[C@H](O)Cc1ccc(F)cc1 ZINC001472879881 1073709329 /nfs/dbraw/zinc/70/93/29/1073709329.db2.gz FCMCEFKKOKDQBJ-LJQANCHMSA-N 0 0 394.402 3.980 20 10 GHCDRN C[C@H]1CCCC[C@H]1N(C)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001473382956 1073943149 /nfs/dbraw/zinc/94/31/49/1073943149.db2.gz BRCIULNHIJCNOU-YCRPNKLZSA-N 0 0 390.483 3.911 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)c1 ZINC001473916588 1074202357 /nfs/dbraw/zinc/20/23/57/1074202357.db2.gz HZOSHFBZSSCKSO-KRWDZBQOSA-N 0 0 375.310 3.827 20 10 GHCDRN CCNC(=O)c1cccc(C[NH2+]Cc2cc(C)cc(Br)c2[O-])c1 ZINC001473948496 1074214741 /nfs/dbraw/zinc/21/47/41/1074214741.db2.gz LQWVNZFBEAXJIV-UHFFFAOYSA-N 0 0 377.282 3.503 20 10 GHCDRN COc1cccc2c1OC[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC001473979030 1074224014 /nfs/dbraw/zinc/22/40/14/1074224014.db2.gz JXTIWPBVWXHEMQ-ZDUSSCGKSA-N 0 0 398.684 3.910 20 10 GHCDRN CN(CC[NH2+]Cc1cc(Br)cc(F)c1[O-])Cc1ccc(F)cc1 ZINC001474038608 1074244700 /nfs/dbraw/zinc/24/47/00/1074244700.db2.gz ANFPUKZWKNXCFL-UHFFFAOYSA-N 0 0 385.252 3.655 20 10 GHCDRN CCN(Cc1ccccc1)c1ccc(CNc2n[nH]c(C)c2C(=O)NC)cc1 ZINC001474282529 1074324786 /nfs/dbraw/zinc/32/47/86/1074324786.db2.gz AALYPELEIUIILT-UHFFFAOYSA-N 0 0 377.492 3.716 20 10 GHCDRN COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)NCc1ccc(OC)c(OC)c1O ZINC001474452871 1074413384 /nfs/dbraw/zinc/41/33/84/1074413384.db2.gz MVMCXSGMCGNLFC-LPHOPBHVSA-N 0 0 399.487 3.551 20 10 GHCDRN Cc1ccc(CN2CCN(Cc3ccc(C(F)(F)F)cc3)C(=O)C2)c(O)c1 ZINC001474653948 1074500909 /nfs/dbraw/zinc/50/09/09/1074500909.db2.gz LJIHFAMAKZVGLC-UHFFFAOYSA-N 0 0 378.394 3.564 20 10 GHCDRN Cc1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(F)c1F ZINC001474858267 1074596382 /nfs/dbraw/zinc/59/63/82/1074596382.db2.gz KRLMTEWDNIVAFW-UHFFFAOYSA-N 0 0 380.460 3.693 20 10 GHCDRN Cc1cc(CNS(=O)(=O)c2ccc(Cl)nc2)c(C)n1-c1ccccc1 ZINC001475567221 1074916351 /nfs/dbraw/zinc/91/63/51/1074916351.db2.gz UVYGWALXTNSVJH-UHFFFAOYSA-N 0 0 375.881 3.621 20 10 GHCDRN O=C(NCCCn1ccc(=O)[nH]c1=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC001475821848 1075028671 /nfs/dbraw/zinc/02/86/71/1075028671.db2.gz YLHWNWYLCTYGGX-UHFFFAOYSA-N 0 0 392.419 3.576 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)Nc3cccnc3OC(C)C)C2)cc1 ZINC001475984415 1075063482 /nfs/dbraw/zinc/06/34/82/1075063482.db2.gz RNFQBPAJWYZNJR-MRXNPFEDSA-N 0 0 384.480 3.525 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3cnc(-c4ccccc4)nc3)C2)cc1 ZINC001476003788 1075067357 /nfs/dbraw/zinc/06/73/57/1075067357.db2.gz VZSSRALVFBQQMN-QGZVFWFLSA-N 0 0 389.459 3.553 20 10 GHCDRN CCCS(=O)(=O)Nc1cccc(NC(=O)NCc2cc(Cl)ccc2O)c1 ZINC001476185103 1075100676 /nfs/dbraw/zinc/10/06/76/1075100676.db2.gz MOOXEWSHTJBNBR-UHFFFAOYSA-N 0 0 397.884 3.519 20 10 GHCDRN CCCS(=O)(=O)Nc1cccc(NC(=O)NCc2cccc(Cl)c2O)c1 ZINC001476185874 1075100758 /nfs/dbraw/zinc/10/07/58/1075100758.db2.gz YYUDIABUSVXTOP-UHFFFAOYSA-N 0 0 397.884 3.519 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC001546249205 1079432914 /nfs/dbraw/zinc/43/29/14/1079432914.db2.gz CFDYVAPCWWEHQR-FPOVZHCZSA-N 0 0 382.504 3.776 20 10 GHCDRN C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC001658653259 1126262975 /nfs/dbraw/zinc/26/29/75/1126262975.db2.gz ZQHTVGLYRUYWAD-KRWDZBQOSA-N 0 0 386.236 3.516 20 10 GHCDRN C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC001660398730 1126265033 /nfs/dbraw/zinc/26/50/33/1126265033.db2.gz XZWNGTKCIZNWKA-KRWDZBQOSA-N 0 0 384.701 3.891 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](C)c2cccs2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737232595 598610408 /nfs/dbraw/zinc/61/04/08/598610408.db2.gz BTKINAGBHAPURK-ZDUSSCGKSA-N 0 0 392.488 3.827 20 10 GHCDRN O=C(Nc1ccc(Oc2ccccc2-c2nn[nH]n2)c(F)c1)C1=CC(=O)CS1 ZINC000823356911 599551778 /nfs/dbraw/zinc/55/17/78/599551778.db2.gz RLOKLBNPDKPZLS-UHFFFAOYSA-N 0 0 397.391 3.818 20 10 GHCDRN O=C([O-])C[N@@H+](CCC(=O)Nc1ccccc1Cl)Cc1cc(Cl)ccc1O ZINC000739785520 600144829 /nfs/dbraw/zinc/14/48/29/600144829.db2.gz OIADYZUPKMIFOA-UHFFFAOYSA-N 0 0 397.258 3.614 20 10 GHCDRN CCn1cc(C2CC[NH+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)CC2)cn1 ZINC000737302482 600426104 /nfs/dbraw/zinc/42/61/04/600426104.db2.gz XIENVLUEFLLENS-UHFFFAOYSA-N 0 0 379.460 3.840 20 10 GHCDRN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000830722599 600828131 /nfs/dbraw/zinc/82/81/31/600828131.db2.gz FUPZXZJVBNMNSN-LHUXKHBRSA-N 0 0 395.459 3.651 20 10 GHCDRN CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccccc3NC(=O)[O-])c2)CC1 ZINC000833498277 604505535 /nfs/dbraw/zinc/50/55/35/604505535.db2.gz DFLKUBCUUJBCQR-UHFFFAOYSA-N 0 0 382.464 3.559 20 10 GHCDRN CC(=O)NC[C@@H](OC(=O)c1cc(C)n(-c2ccccn2)c1C)c1ccccc1 ZINC000177968560 837464874 /nfs/dbraw/zinc/46/48/74/837464874.db2.gz GLNKIELXXRQFSX-HXUWFJFHSA-N 0 0 377.444 3.523 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)NCCCc3c(C)nn(C)c3C)c2C)cc1 ZINC000180779728 837538103 /nfs/dbraw/zinc/53/81/03/837538103.db2.gz IRNGTYQPRCLGNV-UHFFFAOYSA-N 0 0 394.519 3.816 20 10 GHCDRN O=C(/C=C\c1ccc(Cl)cc1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000255069238 837548133 /nfs/dbraw/zinc/54/81/33/837548133.db2.gz MUXOVVNVAMRZER-YHYXMXQVSA-N 0 0 384.907 3.878 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)c1 ZINC001167293508 837670712 /nfs/dbraw/zinc/67/07/12/837670712.db2.gz GXBYBNJZIXYDEF-UHFFFAOYSA-N 0 0 390.468 3.940 20 10 GHCDRN COc1cccc(/C=C2/SC(=S)N([C@H]3CCc4ccccc4C3)C2=O)n1 ZINC000588577515 834554293 /nfs/dbraw/zinc/55/42/93/834554293.db2.gz APRBUBJOVXWCPG-WLSWZUKCSA-N 0 0 382.510 3.849 20 10 GHCDRN COc1cccc(CS(=O)(=O)N(Cc2ccccc2O)C2CCCC2)c1 ZINC000161764907 834620495 /nfs/dbraw/zinc/62/04/95/834620495.db2.gz DFBKNXJYAFLSGH-UHFFFAOYSA-N 0 0 375.490 3.675 20 10 GHCDRN NC(=O)c1c(F)cc(Br)cc1NCCCSc1nccs1 ZINC000094158695 834728692 /nfs/dbraw/zinc/72/86/92/834728692.db2.gz IDRRGOKZIHZGAM-UHFFFAOYSA-N 0 0 390.303 3.738 20 10 GHCDRN COCCn1c(C)cc(/C=C2/NC(=S)N(c3ccc(C)cc3C)C2=O)c1C ZINC000255603621 835040510 /nfs/dbraw/zinc/04/05/10/835040510.db2.gz WKLADFLDEBVDLV-LDADJPATSA-N 0 0 383.517 3.630 20 10 GHCDRN O=C(Cc1cccc(N2CCCC2=O)c1)NCc1ccc(N2CCCCC2)cc1 ZINC000784939068 835240413 /nfs/dbraw/zinc/24/04/13/835240413.db2.gz RGEMGKNGMOTBKS-UHFFFAOYSA-N 0 0 391.515 3.663 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2nc(Cl)ccc2c1 ZINC000126973811 835289764 /nfs/dbraw/zinc/28/97/64/835289764.db2.gz BYAVOZGXSFFZIB-UHFFFAOYSA-N 0 0 395.890 3.997 20 10 GHCDRN CN1CCCc2cc(/C=C3/NC(=S)N(Cc4ccccc4Cl)C3=O)ccc21 ZINC000748082933 835519064 /nfs/dbraw/zinc/51/90/64/835519064.db2.gz NQWYALNZFFPZOC-LDADJPATSA-N 0 0 397.931 3.980 20 10 GHCDRN O=C(NC[C@@H]1CCC[C@@H](O)C1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000254991660 835559405 /nfs/dbraw/zinc/55/94/05/835559405.db2.gz ROARDDHOTXPUKO-DNVCBOLYSA-N 0 0 380.448 3.708 20 10 GHCDRN Cc1cccc2c(CC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c[nH]c21 ZINC000133898278 835656835 /nfs/dbraw/zinc/65/68/35/835656835.db2.gz GCUUWIDDYCPLRW-UHFFFAOYSA-N 0 0 391.515 3.544 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Nc3ccc(C(C)=O)c(C)c3)CC2)cc1 ZINC000179043665 835658833 /nfs/dbraw/zinc/65/88/33/835658833.db2.gz MXNIIYZPQNSBDY-UHFFFAOYSA-N 0 0 381.476 3.950 20 10 GHCDRN COc1ccc(C[C@H](C)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000179504460 835795854 /nfs/dbraw/zinc/79/58/54/835795854.db2.gz UEYGFEJCJVCXKS-LAUBAEHRSA-N 0 0 383.488 3.787 20 10 GHCDRN C[C@@H](Sc1nccs1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000052914484 835807838 /nfs/dbraw/zinc/80/78/38/835807838.db2.gz ODLVFIVPIDAUBS-GFCCVEGCSA-N 0 0 387.486 3.785 20 10 GHCDRN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000255010911 835830954 /nfs/dbraw/zinc/83/09/54/835830954.db2.gz PYBXBTXVJPYOFL-HOTGVXAUSA-N 0 0 393.491 3.894 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000471220541 835951113 /nfs/dbraw/zinc/95/11/13/835951113.db2.gz YASJZLLCHYHKLH-LJQANCHMSA-N 0 0 378.472 3.975 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)CSCC(=O)Nc1ccc(C)cc1 ZINC000471220202 835953712 /nfs/dbraw/zinc/95/37/12/835953712.db2.gz VRRXWBMQGWQZSA-UHFFFAOYSA-N 0 0 395.528 3.783 20 10 GHCDRN Cc1cc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n(C(C)(C)C)n1 ZINC000065829042 835992269 /nfs/dbraw/zinc/99/22/69/835992269.db2.gz PQWCOXKVMQQGKL-INIZCTEOSA-N 0 0 385.512 3.666 20 10 GHCDRN COCc1c(C(=O)NCc2c(C)c3ccccc3n2C)cnn1-c1ccccc1 ZINC000471238775 836211305 /nfs/dbraw/zinc/21/13/05/836211305.db2.gz WWAQRYRMIYDWQP-UHFFFAOYSA-N 0 0 388.471 3.749 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)C(F)(F)c3cccc(OC)c3)CC2)cc1 ZINC001125816152 836221630 /nfs/dbraw/zinc/22/16/30/836221630.db2.gz HMDVHBVKYSGQEP-UHFFFAOYSA-N 0 0 390.430 3.581 20 10 GHCDRN COc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3c3cccc(F)c3F)CC2)cc1F ZINC000177282483 836244350 /nfs/dbraw/zinc/24/43/50/836244350.db2.gz XABXRPVWUXWGBW-CVEARBPZSA-N 0 0 390.405 3.565 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000471243965 836313255 /nfs/dbraw/zinc/31/32/55/836313255.db2.gz OXYAYEPMBVPQOD-UHFFFAOYSA-N 0 0 389.499 3.655 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000547773158 836342059 /nfs/dbraw/zinc/34/20/59/836342059.db2.gz CINRJFGMMRAWAV-QGZVFWFLSA-N 0 0 375.472 3.694 20 10 GHCDRN Cc1cc(C(=O)CN2C[C@H]3C[C@@]3(CO)C2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000782636760 836676777 /nfs/dbraw/zinc/67/67/77/836676777.db2.gz YKUXIUCEOJSNDM-UZLBHIALSA-N 0 0 392.421 3.610 20 10 GHCDRN O=C(NCc1cccc(Cl)c1O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000890758428 836689851 /nfs/dbraw/zinc/68/98/51/836689851.db2.gz XYHJSRYKZMVWLL-UHFFFAOYSA-N 0 0 385.851 3.720 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)c1ccc(Br)cc1 ZINC000804735150 836812670 /nfs/dbraw/zinc/81/26/70/836812670.db2.gz MYNOTHFSQCHUJF-UHFFFAOYSA-N 0 0 385.055 3.847 20 10 GHCDRN CC(C)c1noc(CCCNC(=O)N(Cc2ccco2)Cc2ccccc2O)n1 ZINC000066234476 836968498 /nfs/dbraw/zinc/96/84/98/836968498.db2.gz XRDKQAOVAVGBGZ-UHFFFAOYSA-N 0 0 398.463 3.836 20 10 GHCDRN O=C(CSc1nnc(Cc2c(F)cccc2Cl)o1)c1ccc(O)c(O)c1 ZINC000066257793 837034392 /nfs/dbraw/zinc/03/43/92/837034392.db2.gz ULCQNPQVUYMWCL-UHFFFAOYSA-N 0 0 394.811 3.839 20 10 GHCDRN CCC[C@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000728638794 837250488 /nfs/dbraw/zinc/25/04/88/837250488.db2.gz MEACJTWPZQSYIH-WMLDXEAASA-N 0 0 388.508 3.755 20 10 GHCDRN C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCOc2cc(N(C)C)ccc21 ZINC000181119836 837847230 /nfs/dbraw/zinc/84/72/30/837847230.db2.gz DLKDMMYKCXUHCG-QGZVFWFLSA-N 0 0 394.519 3.579 20 10 GHCDRN CC[C@H](Oc1ccccc1C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000175812398 837894949 /nfs/dbraw/zinc/89/49/49/837894949.db2.gz HFSPLUJLICJNNF-NRFANRHFSA-N 0 0 382.504 3.648 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccn(-c2ccc(OC)cc2)n1 ZINC000066701314 838324511 /nfs/dbraw/zinc/32/45/11/838324511.db2.gz VUBICUQTYKBUOI-UHFFFAOYSA-N 0 0 394.475 3.708 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(C(=O)OC)cc1 ZINC000175846706 838462605 /nfs/dbraw/zinc/46/26/05/838462605.db2.gz KHPSQEDKYMCGJB-UHFFFAOYSA-N 0 0 392.249 3.604 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc([S@@](C)=O)cc1 ZINC000175847232 838463276 /nfs/dbraw/zinc/46/32/76/838463276.db2.gz JCNCEWFCIIFPDY-HSZRJFAPSA-N 0 0 396.306 3.554 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCCC2(CCCC2)C1 ZINC000782939269 838469895 /nfs/dbraw/zinc/46/98/95/838469895.db2.gz OPQICYDYUYJNCU-UHFFFAOYSA-N 0 0 375.488 3.528 20 10 GHCDRN CC[C@H](C)Oc1cc(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)ccn1 ZINC000180238046 838541680 /nfs/dbraw/zinc/54/16/80/838541680.db2.gz IATPYBGYBPLWMD-INIZCTEOSA-N 0 0 383.492 3.666 20 10 GHCDRN CCc1noc(C)c1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000160345847 838558861 /nfs/dbraw/zinc/55/88/61/838558861.db2.gz WIZYDUCGOQGJOV-UHFFFAOYSA-N 0 0 398.507 3.569 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000181019046 838700412 /nfs/dbraw/zinc/70/04/12/838700412.db2.gz DWVPDLKEXPYHIA-KRXBUXKQSA-N 0 0 391.305 3.819 20 10 GHCDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N)cc2)cc1 ZINC000237057283 844361550 /nfs/dbraw/zinc/36/15/50/844361550.db2.gz MYSAMUJONPZQND-UHFFFAOYSA-N 0 0 395.484 3.736 20 10 GHCDRN Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000275771623 838800834 /nfs/dbraw/zinc/80/08/34/838800834.db2.gz HEQRZLULSMTRRV-UHFFFAOYSA-N 0 0 391.393 3.848 20 10 GHCDRN Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)Nc3cccc(F)c3)sc2n1 ZINC000014152180 838976499 /nfs/dbraw/zinc/97/64/99/838976499.db2.gz HMCISZIDMSRWEU-LLVKDONJSA-N 0 0 387.436 3.818 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCCc2ncn(C)n2)cc1 ZINC000843662362 839064994 /nfs/dbraw/zinc/06/49/94/839064994.db2.gz ZCUIEXZYQCBLCA-UHFFFAOYSA-N 0 0 391.479 3.659 20 10 GHCDRN Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc3c(c2)CCCO3)cc1 ZINC000275808823 839086273 /nfs/dbraw/zinc/08/62/73/839086273.db2.gz LYZVTMFVPPAYKX-UHFFFAOYSA-N 0 0 393.487 3.756 20 10 GHCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCNc1nc2ccccc2s1 ZINC000047476318 839092428 /nfs/dbraw/zinc/09/24/28/839092428.db2.gz FHJIDISRAWZHSA-UHFFFAOYSA-N 0 0 391.456 3.702 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(CC1CCCCC1)C1CC1 ZINC000580245716 839108389 /nfs/dbraw/zinc/10/83/89/839108389.db2.gz AFAGCVVGKOHVGV-UHFFFAOYSA-N 0 0 381.520 3.674 20 10 GHCDRN Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-])C2 ZINC000363859232 839289780 /nfs/dbraw/zinc/28/97/80/839289780.db2.gz FHHCRTNOHJMEEA-TVQRCGJNSA-N 0 0 380.261 3.600 20 10 GHCDRN C[C@H](CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccncc1 ZINC000160489411 839477567 /nfs/dbraw/zinc/47/75/67/839477567.db2.gz DGEVOKOLULBVKE-OAHLLOKOSA-N 0 0 389.446 3.962 20 10 GHCDRN O=C(NCC1(c2ccc(F)cc2)CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000122375541 839478777 /nfs/dbraw/zinc/47/87/77/839478777.db2.gz RQWHYONMANKNDV-HXUWFJFHSA-N 0 0 398.478 3.954 20 10 GHCDRN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 ZINC000024034234 839501720 /nfs/dbraw/zinc/50/17/20/839501720.db2.gz CRBUTDDXHZHPID-NRFANRHFSA-N 0 0 392.411 3.886 20 10 GHCDRN CN(Cc1ccccc1O)S(=O)(=O)c1c(Cl)cccc1Br ZINC000314147215 839587104 /nfs/dbraw/zinc/58/71/04/839587104.db2.gz FIXLSRPXYZKDDX-UHFFFAOYSA-N 0 0 390.686 3.629 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C1(OCc2ccccc2)CCOCC1 ZINC000548100015 839607592 /nfs/dbraw/zinc/60/75/92/839607592.db2.gz OZXHDNLXZCVMFN-UHFFFAOYSA-N 0 0 392.499 3.869 20 10 GHCDRN O=C(Cc1c[nH]c2ccc(Cl)cc12)NCc1ccc(N2CCOCC2)cc1 ZINC000119635965 839943846 /nfs/dbraw/zinc/94/38/46/839943846.db2.gz QKKYIOQGAIBRFA-UHFFFAOYSA-N 0 0 383.879 3.517 20 10 GHCDRN C[C@@H](NC(=O)NC1CC(c2ccccc2)C1)c1ccc(N2CCOCC2)cc1 ZINC000728304784 840037972 /nfs/dbraw/zinc/03/79/72/840037972.db2.gz ZAHIMKOAGIBIHF-MDMXATFFSA-N 0 0 379.504 3.830 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CSCc1ccccn1 ZINC000175844621 840141248 /nfs/dbraw/zinc/14/12/48/840141248.db2.gz OWYJTFAZDWERRO-UHFFFAOYSA-N 0 0 395.322 3.832 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(F)cc1OCC(F)F ZINC000194001473 840222299 /nfs/dbraw/zinc/22/22/99/840222299.db2.gz VJXXTCHXKOINHI-SNVBAGLBSA-N 0 0 384.354 3.634 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@H](c3nncn3C)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000175965593 840330810 /nfs/dbraw/zinc/33/08/10/840330810.db2.gz FEKDLORKPRLOBX-IBGZPJMESA-N 0 0 391.519 3.859 20 10 GHCDRN COCc1nc(C)c(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)s1 ZINC000759896735 840385559 /nfs/dbraw/zinc/38/55/59/840385559.db2.gz LRGRBPMIDSCEKS-UHFFFAOYSA-N 0 0 379.445 3.560 20 10 GHCDRN CC1(C)[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@H]1c1ccccc1 ZINC001167763295 840518327 /nfs/dbraw/zinc/51/83/27/840518327.db2.gz ZQQGQENDORXFPG-YADHBBJMSA-N 0 0 378.516 3.704 20 10 GHCDRN CNC(=O)c1cccc(CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1 ZINC000025935923 840669103 /nfs/dbraw/zinc/66/91/03/840669103.db2.gz CLMWVWLHSHZNFT-UHFFFAOYSA-N 0 0 379.435 3.523 20 10 GHCDRN Cc1cc2cc(NC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)ccc2[nH]1 ZINC000122995531 840737255 /nfs/dbraw/zinc/73/72/55/840737255.db2.gz PENUMKDTNOTRBS-UHFFFAOYSA-N 0 0 396.466 3.898 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNCc1ncc(I)s1 ZINC000511781924 840743983 /nfs/dbraw/zinc/74/39/83/840743983.db2.gz UQNRPXOPIIKBLU-UHFFFAOYSA-N 0 0 397.285 3.838 20 10 GHCDRN CCCCC[C@@](C)(CC)C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000188118528 840869762 /nfs/dbraw/zinc/86/97/62/840869762.db2.gz KQMDGEIHZFSNON-HSZRJFAPSA-N 0 0 387.568 3.968 20 10 GHCDRN Cc1cc(I)ccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403554 840935976 /nfs/dbraw/zinc/93/59/76/840935976.db2.gz QCLAWRQEBDTCNL-CLTKARDFSA-N 0 0 395.196 3.663 20 10 GHCDRN COc1ccc(CN(C)C(=O)c2c(C)oc(-n3cccc3)c2C#N)c(OC)c1 ZINC000198211557 840977279 /nfs/dbraw/zinc/97/72/79/840977279.db2.gz ZOZNECDPSKFSGW-UHFFFAOYSA-N 0 0 379.416 3.540 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Nc3cnn([C@H](C)C4CC4)c3)CC2)cc1 ZINC000189637080 841225412 /nfs/dbraw/zinc/22/54/12/841225412.db2.gz IJIKWTKLNAQHSI-MRXNPFEDSA-N 0 0 383.496 3.607 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000588408383 841242099 /nfs/dbraw/zinc/24/20/99/841242099.db2.gz ZMTGGDRBAXBNLA-WWRUEGTHSA-N 0 0 384.501 3.853 20 10 GHCDRN CSc1cccc(-n2c(C)cc(C(=O)CN3CCC(NC(C)=O)CC3)c2C)c1 ZINC000050991748 841409933 /nfs/dbraw/zinc/40/99/33/841409933.db2.gz YRRQNXZUODIZCN-UHFFFAOYSA-N 0 0 399.560 3.599 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(C(F)(F)F)ccc1N(C)C ZINC000190924577 841437384 /nfs/dbraw/zinc/43/73/84/841437384.db2.gz ZNKZUMKRXIYFGC-NSHDSACASA-N 0 0 397.397 3.935 20 10 GHCDRN CC(C)N(C)c1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1F ZINC000190942818 841440950 /nfs/dbraw/zinc/44/09/50/841440950.db2.gz YUKSWISEONKIBK-CYBMUJFWSA-N 0 0 375.444 3.834 20 10 GHCDRN CC(C)Oc1ccc(N(C)CC(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1 ZINC000191595098 841562134 /nfs/dbraw/zinc/56/21/34/841562134.db2.gz WXGWBDDVUPROMK-LJQANCHMSA-N 0 0 381.520 3.553 20 10 GHCDRN Cc1ccc(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)c1 ZINC000123218803 841709785 /nfs/dbraw/zinc/70/97/85/841709785.db2.gz IUSMFWVUBANPQR-UHFFFAOYSA-N 0 0 381.520 3.512 20 10 GHCDRN Oc1ccc(C[C@@H](O)c2nc(-c3cccnc3OC3CCCCC3)no2)cc1O ZINC001211667671 841713791 /nfs/dbraw/zinc/71/37/91/841713791.db2.gz CLPFHPYHZATLDH-GOSISDBHSA-N 0 0 397.431 3.530 20 10 GHCDRN CNC(=O)c1ccc(N(C)Cc2ccc(N3CCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000053553563 841746107 /nfs/dbraw/zinc/74/61/07/841746107.db2.gz LINJWNKXQVCENK-UHFFFAOYSA-N 0 0 382.464 3.581 20 10 GHCDRN Cc1cc(CC(=O)NC[C@@H](O)[C@H](C)c2ccccc2)c(C)n1-c1ccccc1 ZINC001167781079 841958329 /nfs/dbraw/zinc/95/83/29/841958329.db2.gz HOLKDBZOUBBTHP-WZONZLPQSA-N 0 0 376.500 3.917 20 10 GHCDRN CCC(=O)c1ccc(OCCCCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000276527401 842100164 /nfs/dbraw/zinc/10/01/64/842100164.db2.gz KOWIFZFCZGKTSB-INIZCTEOSA-N 0 0 399.487 3.987 20 10 GHCDRN CCCc1ccc(N2C[C@H](C(=O)NCc3ccc(N(C)C)c(F)c3)CC2=O)cc1 ZINC001125534505 842197297 /nfs/dbraw/zinc/19/72/97/842197297.db2.gz JWDHYUUJYSUEIR-GOSISDBHSA-N 0 0 397.494 3.514 20 10 GHCDRN C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cc(Br)c(F)cc1[O-] ZINC000756767950 842198626 /nfs/dbraw/zinc/19/86/26/842198626.db2.gz HIBWNMQPSOSKRN-SSDOTTSWSA-N 0 0 396.182 3.897 20 10 GHCDRN C[C@H](CC(=O)N[C@H](C)c1ccc(N(C)C)cc1)n1cc(Br)cn1 ZINC000843579447 842410496 /nfs/dbraw/zinc/41/04/96/842410496.db2.gz CFHOSQXOHXSRHC-CHWSQXEVSA-N 0 0 379.302 3.540 20 10 GHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000101593556 842619875 /nfs/dbraw/zinc/61/98/75/842619875.db2.gz QWBZWEZJHIEOIB-UHFFFAOYSA-N 0 0 385.266 3.965 20 10 GHCDRN Cc1cc(Br)ccc1-c1noc([C@H](O)c2ccc(N(C)C)cc2)n1 ZINC001211701197 842666915 /nfs/dbraw/zinc/66/69/15/842666915.db2.gz NBMLVKARMUEYFY-MRXNPFEDSA-N 0 0 388.265 3.955 20 10 GHCDRN COc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1O ZINC000728839339 842729327 /nfs/dbraw/zinc/72/93/27/842729327.db2.gz CTOCVQDUZYGXGG-UHFFFAOYSA-N 0 0 382.382 3.672 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]([NH2+]Cc1c([O-])cccc1F)CCO2 ZINC000896638122 861347859 /nfs/dbraw/zinc/34/78/59/861347859.db2.gz HZQKUOXTSVIUNC-OAHLLOKOSA-N 0 0 394.487 3.570 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CCC(c3ncc4n3CCCC4)CC2)cc1F ZINC000279495007 843082038 /nfs/dbraw/zinc/08/20/38/843082038.db2.gz NMRHAYZYVHLFNR-UHFFFAOYSA-N 0 0 399.514 3.514 20 10 GHCDRN O=C(/C=C/c1cncc(O)c1)N1CCc2cc(Br)c(Cl)cc21 ZINC001302114547 861381088 /nfs/dbraw/zinc/38/10/88/861381088.db2.gz AEMBPZZCVBXDPN-OWOJBTEDSA-N 0 0 379.641 3.806 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NCCO[C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000171066487 861381493 /nfs/dbraw/zinc/38/14/93/861381493.db2.gz LQGWZYFTAOVEBE-UWJYYQICSA-N 0 0 389.540 3.559 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NCCO[C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000171066500 861381635 /nfs/dbraw/zinc/38/16/35/861381635.db2.gz LQGWZYFTAOVEBE-LAUBAEHRSA-N 0 0 389.540 3.559 20 10 GHCDRN COc1c([O-])c(C[NH+]2CCC(n3c(C)nc4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC000279868928 843443710 /nfs/dbraw/zinc/44/37/10/843443710.db2.gz SZUMGBQOABGVJO-UHFFFAOYSA-N 0 0 396.447 3.804 20 10 GHCDRN CC1CCN(c2ccc(CNS(=O)(=O)c3cc(F)ccc3F)cc2)CC1 ZINC000731038515 861424577 /nfs/dbraw/zinc/42/45/77/861424577.db2.gz IWNOUPIVGLGQRE-UHFFFAOYSA-N 0 0 380.460 3.680 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000126083166 843568679 /nfs/dbraw/zinc/56/86/79/843568679.db2.gz SBPWSAMUISJVQQ-VQTJNVASSA-N 0 0 385.895 3.532 20 10 GHCDRN CCc1nn(C)c(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000094170034 843632438 /nfs/dbraw/zinc/63/24/38/843632438.db2.gz ASTXFTYLBZPKCK-GFCCVEGCSA-N 0 0 395.410 3.573 20 10 GHCDRN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000276913363 843705844 /nfs/dbraw/zinc/70/58/44/843705844.db2.gz RLLZVQOEEKAXOR-CQSZACIVSA-N 0 0 385.464 3.753 20 10 GHCDRN Cc1cc(C(=O)NCCc2n[nH]c(=S)n2C)c(C)n1-c1cccc(Cl)c1 ZINC000067051066 843778958 /nfs/dbraw/zinc/77/89/58/843778958.db2.gz NCARHCBSGFEHBU-UHFFFAOYSA-N 0 0 389.912 3.511 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCOc2cccc(C(F)(F)F)c2)c1 ZINC000728945915 843872332 /nfs/dbraw/zinc/87/23/32/843872332.db2.gz PUAZZPHYGICDMT-GFCCVEGCSA-N 0 0 398.381 3.859 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2nn(-c3ccccc3F)c3c2CCC3)c1 ZINC000728978136 844651811 /nfs/dbraw/zinc/65/18/11/844651811.db2.gz MUNIFFFYEVIHFS-ZDUSSCGKSA-N 0 0 395.434 3.705 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c1 ZINC000728979567 844652759 /nfs/dbraw/zinc/65/27/59/844652759.db2.gz IMNWIDRJFGTHGX-ZDUSSCGKSA-N 0 0 395.434 3.705 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(OCc3ccncc3)cc2)c1 ZINC000728979080 844665252 /nfs/dbraw/zinc/66/52/52/844665252.db2.gz XXSVJXAUVYUSAJ-OAHLLOKOSA-N 0 0 378.428 3.866 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)c1 ZINC000729036664 844694028 /nfs/dbraw/zinc/69/40/28/844694028.db2.gz ZFYGGIQILZSPKN-AWEZNQCLSA-N 0 0 397.475 3.956 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](c2ccccc2)c2ccccn2)c1 ZINC000729044685 844697788 /nfs/dbraw/zinc/69/77/88/844697788.db2.gz NFPRHHAGZCIXRH-VFNWGFHPSA-N 0 0 377.444 3.946 20 10 GHCDRN CCC[C@@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccn1 ZINC000729226941 844792439 /nfs/dbraw/zinc/79/24/39/844792439.db2.gz SADKNGJNMLRNFA-LAUBAEHRSA-N 0 0 382.508 3.820 20 10 GHCDRN Cc1cc(C(=O)CONC(=O)C(C)(C)C)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000729264110 844817099 /nfs/dbraw/zinc/81/70/99/844817099.db2.gz CJWPRKXKGOOBGG-UHFFFAOYSA-N 0 0 394.418 3.972 20 10 GHCDRN CCC[C@@](C)(O)CNC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C ZINC000843810154 861566149 /nfs/dbraw/zinc/56/61/49/861566149.db2.gz DDRHMAZBYHFDPP-GOSISDBHSA-N 0 0 394.313 3.533 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2cccn2Cc2ccncc2)cc1F ZINC000731346257 861580333 /nfs/dbraw/zinc/58/03/33/861580333.db2.gz SRNOORNXXXZSPI-UHFFFAOYSA-N 0 0 380.467 3.847 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Cc2cc(C(C)=O)ccc2OC)cc1F ZINC000731345634 861580638 /nfs/dbraw/zinc/58/06/38/861580638.db2.gz FMPJYWXRZHZWOD-UHFFFAOYSA-N 0 0 386.467 3.742 20 10 GHCDRN Cc1cc(C(=O)NC[C@]2(C)CCCO2)c(C)n1-c1ccc(Br)cn1 ZINC000843818773 861605622 /nfs/dbraw/zinc/60/56/22/861605622.db2.gz LUGCLKOHXOPSCJ-SFHVURJKSA-N 0 0 392.297 3.551 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000472140532 846094204 /nfs/dbraw/zinc/09/42/04/846094204.db2.gz QOVFTFQJERUSIA-KUNJGFBQSA-N 0 0 383.517 3.785 20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)c3cc(F)c(F)c(F)c3)cc2F)C[C@H](C)O1 ZINC000728469151 846235818 /nfs/dbraw/zinc/23/58/18/846235818.db2.gz NKBBWSVZUPTUPZ-RYUDHWBXSA-N 0 0 396.384 3.787 20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)c3c[nH]c4cccc(F)c34)cc2F)C[C@H](C)O1 ZINC000761358077 861662751 /nfs/dbraw/zinc/66/27/51/861662751.db2.gz AHFJLFFAWGSABV-KBPBESRZSA-N 0 0 399.441 3.990 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)Nc2cc([C@H]3CCCOC3)nn2C)C2CC2)cc1 ZINC000280210824 846327514 /nfs/dbraw/zinc/32/75/14/846327514.db2.gz QEFJIZOCDSZTRW-KRWDZBQOSA-N 0 0 397.523 3.577 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)CSc2nccn2-c2ccccc2C)c1 ZINC000103530181 881341182 /nfs/dbraw/zinc/34/11/82/881341182.db2.gz QACKDJNALIXQKU-OAHLLOKOSA-N 0 0 397.500 3.864 20 10 GHCDRN CN(C)C(=O)Nc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(Cl)c1 ZINC000161147130 846400848 /nfs/dbraw/zinc/40/08/48/846400848.db2.gz BSKPKXFSQBPMLS-UHFFFAOYSA-N 0 0 388.899 3.772 20 10 GHCDRN c1coc(Cn2c(-c3ccccc3)cnc2SCc2nnc3n2CCOC3)c1 ZINC000280553383 846433588 /nfs/dbraw/zinc/43/35/88/846433588.db2.gz JKVLALHUIASPDZ-UHFFFAOYSA-N 0 0 393.472 3.605 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000161160296 846460029 /nfs/dbraw/zinc/46/00/29/846460029.db2.gz BJJYJBDRFPNDLM-SECBINFHSA-N 0 0 376.261 3.747 20 10 GHCDRN O=C(NCCCSc1nccs1)c1ccn(-c2c(F)cccc2F)n1 ZINC000176653909 846781854 /nfs/dbraw/zinc/78/18/54/846781854.db2.gz DBWXMUHTFRIWJU-UHFFFAOYSA-N 0 0 380.445 3.519 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000588511468 846821325 /nfs/dbraw/zinc/82/13/25/846821325.db2.gz YDBMKELCYXFVAL-OWIVYFSNSA-N 0 0 377.799 3.504 20 10 GHCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1ccc(C(F)F)cc1 ZINC000761360081 861740409 /nfs/dbraw/zinc/74/04/09/861740409.db2.gz JGUIHVFVEVICRS-UHFFFAOYSA-N 0 0 380.778 3.948 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)NCCCCNC(=O)OC(C)(C)C ZINC000272647040 847133878 /nfs/dbraw/zinc/13/38/78/847133878.db2.gz ABEXLKRMQIDLNI-UHFFFAOYSA-N 0 0 379.501 3.619 20 10 GHCDRN CO[C@@]1(C)C[C@H]1NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC001167575199 847273009 /nfs/dbraw/zinc/27/30/09/847273009.db2.gz PVKTUYSJAWEBNU-AEFFLSMTSA-N 0 0 377.282 3.764 20 10 GHCDRN COc1ccc(C(F)(F)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000161311564 847567020 /nfs/dbraw/zinc/56/70/20/847567020.db2.gz HTVSILMOAZTNKG-GOSISDBHSA-N 0 0 391.414 3.700 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@@H](C)c1ccc(C2CC2)cc1 ZINC000422382978 847589536 /nfs/dbraw/zinc/58/95/36/847589536.db2.gz PKCKFUDZLHMVAJ-INIZCTEOSA-N 0 0 389.499 3.858 20 10 GHCDRN C[C@H](NC(=O)/C=C/c1ccc2ccccc2n1)c1ccc(N2CCOCC2)cc1 ZINC000065560920 847721356 /nfs/dbraw/zinc/72/13/56/847721356.db2.gz ZILWEOITQDNGGR-HGZMWJMZSA-N 0 0 387.483 3.962 20 10 GHCDRN Cc1cc(C(=O)OCc2noc(Cc3ccccc3)n2)c(C)n1-c1ccccn1 ZINC000731703453 861826714 /nfs/dbraw/zinc/82/67/14/861826714.db2.gz NOQLCAYUDUBVTP-UHFFFAOYSA-N 0 0 388.427 3.820 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21 ZINC000843819707 861838123 /nfs/dbraw/zinc/83/81/23/861838123.db2.gz FWYLXDASIAUYNA-IBGZPJMESA-N 0 0 396.487 3.885 20 10 GHCDRN O=C(NCc1cccc([N+](=O)[O-])c1)N(Cc1ccco1)Cc1ccccc1O ZINC000171202660 861858548 /nfs/dbraw/zinc/85/85/48/861858548.db2.gz SRDUMJLWHSWSTI-UHFFFAOYSA-N 0 0 381.388 3.805 20 10 GHCDRN Cc1ccc(C[C@@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)s1 ZINC000761363266 861875804 /nfs/dbraw/zinc/87/58/04/861875804.db2.gz RNKZBXIKNZCCPD-LLVKDONJSA-N 0 0 378.881 3.811 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCCC34CCOCC4)ccc21 ZINC000548760979 848247320 /nfs/dbraw/zinc/24/73/20/848247320.db2.gz NEXKLZXVOLGYBA-NRFANRHFSA-N 0 0 384.520 3.984 20 10 GHCDRN O=C(Cc1ccc(-n2cccc2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000731855979 861910510 /nfs/dbraw/zinc/91/05/10/861910510.db2.gz HVAHFRGONBLATA-QFIPXVFZSA-N 0 0 390.483 3.933 20 10 GHCDRN Cc1ccc(C(=O)CCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000731858317 861912213 /nfs/dbraw/zinc/91/22/13/861912213.db2.gz KCKJGJYPVULIAB-QGZVFWFLSA-N 0 0 387.501 3.933 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000472273054 848755711 /nfs/dbraw/zinc/75/57/11/848755711.db2.gz FNHMPVFDOHFTAC-IBGZPJMESA-N 0 0 377.488 3.640 20 10 GHCDRN CCOC(=O)[C@@H]1CC[C@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000122055299 849057743 /nfs/dbraw/zinc/05/77/43/849057743.db2.gz YPBAPRVYKYTBCC-MOPGFXCFSA-N 0 0 387.524 3.550 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000180187482 862004104 /nfs/dbraw/zinc/00/41/04/862004104.db2.gz WJEWVFKTCRSSFD-UHFFFAOYSA-N 0 0 382.460 3.747 20 10 GHCDRN COc1ccc(N(Cc2ccccc2)Cc2ccc(OCC(N)=O)cc2)cc1 ZINC000725795717 849556457 /nfs/dbraw/zinc/55/64/57/849556457.db2.gz JOMKKDPGBIUHAY-UHFFFAOYSA-N 0 0 376.456 3.766 20 10 GHCDRN COc1ccccc1OCC(=O)Nc1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000732274756 862170837 /nfs/dbraw/zinc/17/08/37/862170837.db2.gz YIGTVBJRPTYKDL-UHFFFAOYSA-N 0 0 398.440 3.732 20 10 GHCDRN Cc1c(C(=O)N2CCOc3cc(N(C)C)ccc32)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000173203839 862204197 /nfs/dbraw/zinc/20/41/97/862204197.db2.gz AJMQURABFQZMPE-UHFFFAOYSA-N 0 0 381.476 3.583 20 10 GHCDRN Cc1cccc(CN(CC[NH+](C)C)c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000910357684 851147700 /nfs/dbraw/zinc/14/77/00/851147700.db2.gz KAQWAFFVERJOED-NTMALXAHSA-N 0 0 383.448 3.569 20 10 GHCDRN CC(C)[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000171427735 862216925 /nfs/dbraw/zinc/21/69/25/862216925.db2.gz VUBCRTLCRHXIEH-QZTJIDSGSA-N 0 0 391.531 3.801 20 10 GHCDRN O=C(COC(=O)C1=CC(=O)CS1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000732353359 862223526 /nfs/dbraw/zinc/22/35/26/862223526.db2.gz GBGVGAKMMSOXHK-UHFFFAOYSA-N 0 0 389.429 3.681 20 10 GHCDRN C[S@](=O)C[C@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])c1ccccc1 ZINC000894424443 851286886 /nfs/dbraw/zinc/28/68/86/851286886.db2.gz GFCVGTNEVTZXLX-NYHFZMIOSA-N 0 0 386.286 3.503 20 10 GHCDRN Cc1cc(-n2c(C)cc(/C=C3/NC(=S)N(c4ccccc4F)C3=O)c2C)no1 ZINC000229768915 862249055 /nfs/dbraw/zinc/24/90/55/862249055.db2.gz FMKMNTPUVAEGCY-MHWRWJLKSA-N 0 0 396.447 3.792 20 10 GHCDRN COc1cc(Br)c(/C=C2/SC(=S)N(C3CC3)C2=O)cc1O ZINC000281406534 851576370 /nfs/dbraw/zinc/57/63/70/851576370.db2.gz PKBSZNUOYVYFNK-LFYBBSHMSA-N 0 0 386.292 3.527 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3ccnc(Cl)c3Cl)C2)cc1 ZINC000911276402 851658313 /nfs/dbraw/zinc/65/83/13/851658313.db2.gz MCEIYEHGFPHDPN-LBPRGKRZSA-N 0 0 380.275 3.653 20 10 GHCDRN Cc1cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c(C)n1-c1ccc(Br)cn1 ZINC000843750686 851674415 /nfs/dbraw/zinc/67/44/15/851674415.db2.gz UWCNKHZGURDPPE-BETUJISGSA-N 0 0 392.297 3.501 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3ccnn3C3CCCCC3)CC2)cc1 ZINC000732428950 862273118 /nfs/dbraw/zinc/27/31/18/862273118.db2.gz BJZGUVGNXHKVHD-UHFFFAOYSA-N 0 0 383.496 3.751 20 10 GHCDRN CCn1cc(-c2nn(C)cc2C(=O)N(C)c2cc(Cl)cc(Cl)c2)cn1 ZINC000488852175 851825615 /nfs/dbraw/zinc/82/56/15/851825615.db2.gz JYHXZBGXMRFTTH-UHFFFAOYSA-N 0 0 378.263 3.887 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCCc3cc[nH]c(=O)c32)cc1 ZINC000912623302 852391740 /nfs/dbraw/zinc/39/17/40/852391740.db2.gz TYIIJZSTTFVUTO-UHFFFAOYSA-N 0 0 389.455 3.529 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCCc3cc[nH]c(=O)c32)ccc1C ZINC000912624077 852392535 /nfs/dbraw/zinc/39/25/35/852392535.db2.gz YKQNXDSSTKCNDZ-UHFFFAOYSA-N 0 0 389.455 3.909 20 10 GHCDRN COC(=O)/C=C/c1ccc(N2CCN(c3cccc(C)c3C)CC2)c([N+](=O)[O-])c1 ZINC000912601837 852393608 /nfs/dbraw/zinc/39/36/08/852393608.db2.gz KBPYUOVQLQBFLW-CSKARUKUSA-N 0 0 395.459 3.724 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCn1cnc2ccccc21 ZINC000732595567 862366270 /nfs/dbraw/zinc/36/62/70/862366270.db2.gz SCPHPIIHXUXSLO-UHFFFAOYSA-N 0 0 391.519 3.868 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000437024867 852618508 /nfs/dbraw/zinc/61/85/08/852618508.db2.gz KTTZKOHBGIYRST-UHFFFAOYSA-N 0 0 380.366 3.619 20 10 GHCDRN CCn1c2ccccc2nc1SCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437023563 852636503 /nfs/dbraw/zinc/63/65/03/852636503.db2.gz XOBDQVITEDQUOK-UHFFFAOYSA-N 0 0 396.516 3.640 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCOC3(CCCC3)C2)cc1F ZINC000150953368 852843341 /nfs/dbraw/zinc/84/33/41/852843341.db2.gz YISQDPQBAPOPFM-KRWDZBQOSA-N 0 0 377.504 3.963 20 10 GHCDRN COC(=O)CCc1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000171562707 862409858 /nfs/dbraw/zinc/40/98/58/862409858.db2.gz HZCTWVIVRPTMIL-UHFFFAOYSA-N 0 0 381.476 3.714 20 10 GHCDRN C[C@@H](N[C@@H](c1cnn(C)c1)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000366673766 853266395 /nfs/dbraw/zinc/26/63/95/853266395.db2.gz DUVJIFJQPSDEGV-UZUQRXQVSA-N 0 0 394.494 3.836 20 10 GHCDRN CCCN(Cc1ccc(C)cc1)C(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000519791540 853473309 /nfs/dbraw/zinc/47/33/09/853473309.db2.gz KWYWBGUCYNZIJD-UHFFFAOYSA-N 0 0 391.515 3.850 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)Cc1ccc2ccccc2c1 ZINC000517203151 853510899 /nfs/dbraw/zinc/51/08/99/853510899.db2.gz AUKLXDFKEPLWMA-UHFFFAOYSA-N 0 0 382.485 3.635 20 10 GHCDRN Cc1cc(CC(=O)N2CC[C@@H](C)[S@](=O)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000760645971 853562825 /nfs/dbraw/zinc/56/28/25/853562825.db2.gz SVQHWUPHJOBTND-PVPMGCCUSA-N 0 0 392.952 3.660 20 10 GHCDRN CC[C@@H](CC(F)(F)F)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000760655192 853644448 /nfs/dbraw/zinc/64/44/48/853644448.db2.gz IKHVHUYGDLOMNL-AWEZNQCLSA-N 0 0 375.460 3.770 20 10 GHCDRN CC(=O)NC[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1 ZINC000067362433 853683511 /nfs/dbraw/zinc/68/35/11/853683511.db2.gz FRJZEKASZXUJLK-KRWDZBQOSA-N 0 0 387.911 3.736 20 10 GHCDRN Cc1cc2occ(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2cc1C ZINC000055522406 853926776 /nfs/dbraw/zinc/92/67/76/853926776.db2.gz PRBSXPXTXBAKDR-UHFFFAOYSA-N 0 0 396.462 3.884 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@H](C)[S@](=O)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000760670152 853931553 /nfs/dbraw/zinc/93/15/53/853931553.db2.gz UPDQGRALLDUGOP-HWRSSNJWSA-N 0 0 378.925 3.731 20 10 GHCDRN C[C@@H](Oc1ccccc1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000055530311 854001733 /nfs/dbraw/zinc/00/17/33/854001733.db2.gz YZQDKTWAQJZFIC-BRWVUGGUSA-N 0 0 386.467 3.523 20 10 GHCDRN CC(=O)c1cc(O)ccc1NS(=O)(=O)C=Cc1ccc(Br)cc1 ZINC000766047004 862536141 /nfs/dbraw/zinc/53/61/41/862536141.db2.gz ALDLCMPGVLTMAW-HJWRWDBZSA-N 0 0 396.262 3.770 20 10 GHCDRN O=C(NCCc1ccc(O)c(O)c1)c1cccnc1SCc1ccc(F)cc1 ZINC000156722764 854166035 /nfs/dbraw/zinc/16/60/35/854166035.db2.gz FNOLFQKFWOEGPM-UHFFFAOYSA-N 0 0 398.459 3.897 20 10 GHCDRN Cc1cc(C)c2c(N)c(C(=O)O[C@H]3CCN(c4ccccc4F)C3=O)sc2n1 ZINC000732845214 862543732 /nfs/dbraw/zinc/54/37/32/862543732.db2.gz VIQBVIYXNYLUFL-AWEZNQCLSA-N 0 0 399.447 3.597 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000056293932 854628987 /nfs/dbraw/zinc/62/89/87/854628987.db2.gz JQFDMMIIVPHZLR-UHFFFAOYSA-N 0 0 385.533 3.630 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NCc3ccc(Cl)s3)CC2)cc1 ZINC000056382838 854665820 /nfs/dbraw/zinc/66/58/20/854665820.db2.gz JEGQOVVSAPOFES-UHFFFAOYSA-N 0 0 379.913 3.832 20 10 GHCDRN Cc1cc(C(=O)N(C)CCN2CCCC2=O)c(C)n1-c1cccc(C(C)C)c1 ZINC000732974909 862620157 /nfs/dbraw/zinc/62/01/57/862620157.db2.gz QWFUJLGZSGQFRO-UHFFFAOYSA-N 0 0 381.520 3.912 20 10 GHCDRN COc1ccccc1OCCN(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000056876671 855115270 /nfs/dbraw/zinc/11/52/70/855115270.db2.gz FZEWBIYDDXLNOG-UHFFFAOYSA-N 0 0 383.492 3.516 20 10 GHCDRN Cc1c2cc(C)ccc2[nH]c1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000165555912 855131204 /nfs/dbraw/zinc/13/12/04/855131204.db2.gz GTDJYAVBFJNTJB-UHFFFAOYSA-N 0 0 395.478 3.815 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000054549054 855167885 /nfs/dbraw/zinc/16/78/85/855167885.db2.gz XWSMEKPEZCMPAS-UHFFFAOYSA-N 0 0 397.500 3.783 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(c2nnc3n2CCC3)CC1 ZINC000057146400 855253271 /nfs/dbraw/zinc/25/32/71/855253271.db2.gz GVIHPBGFQDHDQF-UHFFFAOYSA-N 0 0 395.532 3.713 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)C1(c2cccc(F)c2)CCOCC1 ZINC000057209362 855288153 /nfs/dbraw/zinc/28/81/53/855288153.db2.gz LNQYGANYDYZBQI-UHFFFAOYSA-N 0 0 382.479 3.791 20 10 GHCDRN COc1ccccc1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000057512097 855435529 /nfs/dbraw/zinc/43/55/29/855435529.db2.gz RCOVRGYZEXIWJG-NRFANRHFSA-N 0 0 382.504 3.512 20 10 GHCDRN COCc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1 ZINC000057512509 855451434 /nfs/dbraw/zinc/45/14/34/855451434.db2.gz JDDFPWZKBPEQIL-QFIPXVFZSA-N 0 0 382.504 3.720 20 10 GHCDRN COc1ccc(N[C@@H](C)c2cc3c(cc2O)CCCC3)cc1-n1nnnc1C ZINC000186437609 855459762 /nfs/dbraw/zinc/45/97/62/855459762.db2.gz HLSWYGUQJAJTDU-ZDUSSCGKSA-N 0 0 379.464 3.737 20 10 GHCDRN COc1ccc(N2CCN(C(=O)CNc3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC000057585176 855518052 /nfs/dbraw/zinc/51/80/52/855518052.db2.gz WDZQJAWIFRQUOV-UHFFFAOYSA-N 0 0 394.302 3.763 20 10 GHCDRN CCOc1ccc(O)c([C@@H]2Nc3ccccc3C(=O)N2Cc2cccnc2)c1 ZINC000057771010 855667597 /nfs/dbraw/zinc/66/75/97/855667597.db2.gz FDIZONBSGFRBLP-OAQYLSRUSA-N 0 0 375.428 3.953 20 10 GHCDRN CCOC(=O)CC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000178971224 855687896 /nfs/dbraw/zinc/68/78/96/855687896.db2.gz FUNJMCVZPRQLIB-IBGZPJMESA-N 0 0 387.524 3.552 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCc2ccc(Br)s2)c1 ZINC000171730710 862711066 /nfs/dbraw/zinc/71/10/66/862711066.db2.gz IMLMFJXPCMQUGU-SNVBAGLBSA-N 0 0 399.310 3.828 20 10 GHCDRN COc1cc(C)ccc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000780397713 855770718 /nfs/dbraw/zinc/77/07/18/855770718.db2.gz PNKXGHDOIUDOAL-HZPDHXFCSA-N 0 0 386.467 3.686 20 10 GHCDRN COc1ccc([C@H](NC(=O)CN(C)c2ccc(OC)c(OC)c2)C(C)C)cc1 ZINC000140314496 855922354 /nfs/dbraw/zinc/92/23/54/855922354.db2.gz SARLIMAEKKMTNV-JOCHJYFZSA-N 0 0 386.492 3.662 20 10 GHCDRN CCOCC[C@@H](O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000766054190 862767387 /nfs/dbraw/zinc/76/73/87/862767387.db2.gz ZOZHGVFDOLLJNP-QZTJIDSGSA-N 0 0 376.522 3.609 20 10 GHCDRN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])[C@]12CCCO2 ZINC000760882763 856215036 /nfs/dbraw/zinc/21/50/36/856215036.db2.gz ZTYLRSZAPHTGEE-ZQWVLENNSA-N 0 0 388.277 3.671 20 10 GHCDRN CCN(C(=O)c1cc(C)n(-c2ccccc2C)c1C)[C@H](C)CS(=O)(=O)CC ZINC000733184818 862784757 /nfs/dbraw/zinc/78/47/57/862784757.db2.gz SDMCBSACDZNNEW-QGZVFWFLSA-N 0 0 390.549 3.688 20 10 GHCDRN CN(C)c1ccc(CNC(=O)NCc2ccc(Br)c(F)c2)cc1F ZINC000195737480 856360583 /nfs/dbraw/zinc/36/05/83/856360583.db2.gz XKIOVYHVBXIHIL-UHFFFAOYSA-N 0 0 398.251 3.793 20 10 GHCDRN Cc1cc(C(=O)NCc2nnc(C(C)C)n2C)c(C)n1-c1cc(C)cc(C)c1 ZINC000186484950 856426304 /nfs/dbraw/zinc/42/63/04/856426304.db2.gz UZWAYLNBTOOCJP-UHFFFAOYSA-N 0 0 379.508 3.893 20 10 GHCDRN CN(C)c1ccc(/N=N/c2ccccc2C(=O)N2CCC(C(N)=O)CC2)cc1 ZINC000159512674 862795740 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COc1ccc(N(C)CC(=O)N(Cc2ccco2)CC(F)(F)F)cc1Cl ZINC000121985032 889269342 /nfs/dbraw/zinc/26/93/42/889269342.db2.gz KGAOVTQVLMOCNE-UHFFFAOYSA-N 0 0 390.789 3.969 20 10 GHCDRN O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1ccsn1 ZINC001132745098 889424256 /nfs/dbraw/zinc/42/42/56/889424256.db2.gz NHKKWICYZOVOHH-FMIVXFBMSA-N 0 0 393.490 3.512 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)NCc3ccc4cccnc4c3)C2)cc1 ZINC000868720715 889569433 /nfs/dbraw/zinc/56/94/33/889569433.db2.gz OFEHTOXVEXUTSV-GOSISDBHSA-N 0 0 390.487 3.569 20 10 GHCDRN CC(C)N(C)C[C@@H](C)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000811516494 889712351 /nfs/dbraw/zinc/71/23/51/889712351.db2.gz WZVBASCAKPBRDA-SNVBAGLBSA-N 0 0 394.151 3.736 20 10 GHCDRN Cc1noc2nc(-c3ccccc3)cc(C(=O)NCCc3ccc(O)c(O)c3)c12 ZINC000122467067 889813609 /nfs/dbraw/zinc/81/36/09/889813609.db2.gz GYRNFIXOMYXVFG-UHFFFAOYSA-N 0 0 389.411 3.582 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)C3(c4ccnc5ccccc54)CC3)C2)cc1 ZINC000869229362 889839469 /nfs/dbraw/zinc/83/94/69/889839469.db2.gz 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GHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1occ2c1CCC2 ZINC000796740989 932049884 /nfs/dbraw/zinc/04/98/84/932049884.db2.gz AAWCHTDJBGRMPZ-CQSZACIVSA-N 0 0 376.403 3.769 20 10 GHCDRN CC[C@@H]([NH2+][C@H]1CCN(Cc2cc(OC)cc(OC)c2)C1)c1ccc(F)cc1[O-] ZINC000796792895 932069678 /nfs/dbraw/zinc/06/96/78/932069678.db2.gz MRMTYDIKMIHNCY-LAUBAEHRSA-N 0 0 388.483 3.864 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000558655234 932142053 /nfs/dbraw/zinc/14/20/53/932142053.db2.gz VNDSDKGBFLNUKF-GHTZIAJQSA-N 0 0 378.476 3.601 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1cc(C(F)(F)F)nn1C ZINC000926558669 932228319 /nfs/dbraw/zinc/22/83/19/932228319.db2.gz HLEVNCBKVYXDTR-UHFFFAOYSA-N 0 0 384.402 3.656 20 10 GHCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@@H](CO)CC1CCC1 ZINC000797371850 932266143 /nfs/dbraw/zinc/26/61/43/932266143.db2.gz MXDURNQULNVTBQ-LJQANCHMSA-N 0 0 380.448 3.708 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)NCc1c(F)cc(F)c(F)c1F ZINC000797428886 932281018 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391.418 3.864 20 10 GHCDRN COc1ccc(N2CCN(C(=O)N[C@H](c3ccccc3)C(F)F)CC2)cc1F ZINC000836665540 1023227259 /nfs/dbraw/zinc/22/72/59/1023227259.db2.gz DYZQARVIPURJHG-GOSISDBHSA-N 0 0 393.409 3.672 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Nc3ccc([C@H]4CCOC4)cc3)CC2)cc1 ZINC000836697378 1023268530 /nfs/dbraw/zinc/26/85/30/1023268530.db2.gz MSRRAFYKDDPNMC-IBGZPJMESA-N 0 0 395.503 3.943 20 10 GHCDRN C[C@@H](SC1CCOCC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000755863366 1023407020 /nfs/dbraw/zinc/40/70/20/1023407020.db2.gz ZDQVDQQZMVDTMU-CYBMUJFWSA-N 0 0 395.480 3.701 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCO[C@@H](c3ccnn3C)C2)c(C)n1-c1cccc(C)c1 ZINC000836974599 1023534646 /nfs/dbraw/zinc/53/46/46/1023534646.db2.gz JBXCPRXKMKRKGG-PGRDOPGGSA-N 0 0 392.503 3.786 20 10 GHCDRN CC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000756229494 1023559501 /nfs/dbraw/zinc/55/95/01/1023559501.db2.gz SHDIMFPETYXPIN-OAQYLSRUSA-N 0 0 396.487 3.529 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(OC(F)F)c(OC)c2)c1 ZINC000756359362 1023605564 /nfs/dbraw/zinc/60/55/64/1023605564.db2.gz DHZFBDACVNYFFT-LLVKDONJSA-N 0 0 381.375 3.640 20 10 GHCDRN C[C@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756383935 1023621925 /nfs/dbraw/zinc/62/19/25/1023621925.db2.gz LVHKKAPMUSIWQQ-JTQLQIEISA-N 0 0 389.304 3.921 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCN(CCc3ccccc3)CC2)c1 ZINC000756402021 1023629371 /nfs/dbraw/zinc/62/93/71/1023629371.db2.gz KSGYZDKWZANLMW-KRWDZBQOSA-N 0 0 382.504 3.537 20 10 GHCDRN Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3[O-])cc2)n1 ZINC000756419188 1023638748 /nfs/dbraw/zinc/63/87/48/1023638748.db2.gz SYBOFOSOCJDSCP-INIZCTEOSA-N 0 0 380.448 3.996 20 10 GHCDRN C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1cc(Br)c(F)cc1[O-] ZINC000756432675 1023646824 /nfs/dbraw/zinc/64/68/24/1023646824.db2.gz LGAMTUIZLPXEQL-GFCCVEGCSA-N 0 0 395.272 3.603 20 10 GHCDRN CC[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1ccccc1OCC(=O)N(C)C ZINC000756434750 1023648026 /nfs/dbraw/zinc/64/80/26/1023648026.db2.gz YQXBFFBHKHFJMV-FZKQIMNGSA-N 0 0 392.446 3.939 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)c1 ZINC000756459621 1023662814 /nfs/dbraw/zinc/66/28/14/1023662814.db2.gz NHQOYJPSEAYBNP-ZDUSSCGKSA-N 0 0 383.423 3.663 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1)c1cc(F)cc(F)c1[O-] ZINC000756474817 1023674264 /nfs/dbraw/zinc/67/42/64/1023674264.db2.gz JAAHMXIHZAAKND-YJYMSZOUSA-N 0 0 380.410 3.534 20 10 GHCDRN C[C@H]([NH2+]CCn1cnc2ccccc21)c1cc(Br)c(F)cc1[O-] ZINC000756483178 1023679397 /nfs/dbraw/zinc/67/93/97/1023679397.db2.gz PBEGPZLRFHXXGQ-NSHDSACASA-N 0 0 378.245 3.994 20 10 GHCDRN CC(C)C[C@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000756495811 1023685091 /nfs/dbraw/zinc/68/50/91/1023685091.db2.gz BHBCBVMXGOTNIY-ONGXEEELSA-N 0 0 395.135 3.975 20 10 GHCDRN C[C@H]([NH2+]CCNc1ccc(-c2ccccc2)nn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756515017 1023693350 /nfs/dbraw/zinc/69/33/50/1023693350.db2.gz CWERQNIEDPLZPP-AWEZNQCLSA-N 0 0 379.420 3.520 20 10 GHCDRN C[C@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1cc(Br)cc(F)c1[O-] ZINC000756530512 1023701134 /nfs/dbraw/zinc/70/11/34/1023701134.db2.gz YXYUFNQARTYCLG-JTQLQIEISA-N 0 0 391.281 3.811 20 10 GHCDRN CNC(=O)c1cccc(CC[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])c1 ZINC000756604648 1023734698 /nfs/dbraw/zinc/73/46/98/1023734698.db2.gz NYGUNZMUDMHJKN-LLVKDONJSA-N 0 0 395.272 3.547 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000756636932 1023747313 /nfs/dbraw/zinc/74/73/13/1023747313.db2.gz XVHVNMVQNOYYHE-LLGFUMIMSA-N 0 0 382.504 3.740 20 10 GHCDRN C[C@H]([NH2+]Cc1ccon1)c1cc(Br)cc(Br)c1[O-] ZINC000756638045 1023748884 /nfs/dbraw/zinc/74/88/84/1023748884.db2.gz RBLIYHJFYXWMHF-ZETCQYMHSA-N 0 0 376.048 3.756 20 10 GHCDRN C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1cc(Br)c(F)cc1[O-] ZINC000756659934 1023759820 /nfs/dbraw/zinc/75/98/20/1023759820.db2.gz HTIVJJLJHYQODH-BDJLRTHQSA-N 0 0 393.256 3.750 20 10 GHCDRN CC(C)[C@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])C(=O)N1CCCC1 ZINC000756707549 1023782838 /nfs/dbraw/zinc/78/28/38/1023782838.db2.gz ZCYLRJGFYAMLJW-ZBEGNZNMSA-N 0 0 387.293 3.591 20 10 GHCDRN C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1cc(Br)cc(Cl)c1[O-] ZINC000756707721 1023783293 /nfs/dbraw/zinc/78/32/93/1023783293.db2.gz NOOYJQCLNGGPCM-SECBINFHSA-N 0 0 398.750 3.672 20 10 GHCDRN C[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1cc(Br)cc(F)c1[O-] ZINC000756739488 1023793887 /nfs/dbraw/zinc/79/38/87/1023793887.db2.gz NWZXEPSXNRSCIZ-RTHLEPHNSA-N 0 0 390.199 3.956 20 10 GHCDRN C[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1cc(Br)c(F)cc1[O-] ZINC000756776369 1023810582 /nfs/dbraw/zinc/81/05/82/1023810582.db2.gz YUHRWBIQJLOVRV-MFKMUULPSA-N 0 0 386.236 3.687 20 10 GHCDRN C[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1cc(Br)cc(Cl)c1[O-] ZINC000756774980 1023810638 /nfs/dbraw/zinc/81/06/38/1023810638.db2.gz FSSZWMDGSSELRH-HTRCEHHLSA-N 0 0 376.600 3.772 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCN(C(C)=O)c3ccccc32)cc1 ZINC000757010673 1023906977 /nfs/dbraw/zinc/90/69/77/1023906977.db2.gz LNNBAVUKJWMCBY-OAQYLSRUSA-N 0 0 394.519 3.830 20 10 GHCDRN COc1cc(CNC(=O)Cc2cc(C)n(-c3ccccc3)c2C)cc(OC)c1O ZINC000830531534 1023970411 /nfs/dbraw/zinc/97/04/11/1023970411.db2.gz JLHSWLRLUVKTPY-UHFFFAOYSA-N 0 0 394.471 3.676 20 10 GHCDRN Cn1ccc(Nc2ccc(C(=O)NCc3c(O)ccc4c3CCCC4)cc2)n1 ZINC000830559662 1023984642 /nfs/dbraw/zinc/98/46/42/1023984642.db2.gz RKPZQTOHOAIOES-UHFFFAOYSA-N 0 0 376.460 3.678 20 10 GHCDRN COC[C@]1(CO)CCN(C(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C1 ZINC000837076258 1023997139 /nfs/dbraw/zinc/99/71/39/1023997139.db2.gz BAVVERQVBFVHRW-HSZRJFAPSA-N 0 0 384.520 3.689 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc(COc2ccccc2F)n1CC1CC1 ZINC000830588658 1024001937 /nfs/dbraw/zinc/00/19/37/1024001937.db2.gz MPHMLTSKXMHSBM-UHFFFAOYSA-N 0 0 382.439 3.748 20 10 GHCDRN COC(=O)c1cc2c(nc1-c1ccoc1)CC[N@H+](Cc1cccc(F)c1[O-])CC2 ZINC001138125006 1024169149 /nfs/dbraw/zinc/16/91/49/1024169149.db2.gz GZAHXWYBGQUPCR-UHFFFAOYSA-N 0 0 396.418 3.574 20 10 GHCDRN O=C(Nc1ccccc1)c1nc2c(s1)CC[N@@H+](Cc1cccc(F)c1[O-])CC2 ZINC001138125903 1024171757 /nfs/dbraw/zinc/17/17/57/1024171757.db2.gz ZJALUULLWXKCMC-UHFFFAOYSA-N 0 0 397.475 3.841 20 10 GHCDRN Cc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(C)n1-c1ccon1 ZINC000830899754 1024228316 /nfs/dbraw/zinc/22/83/16/1024228316.db2.gz LJPSRTGVXITKAW-GOSISDBHSA-N 0 0 395.459 3.609 20 10 GHCDRN CCOc1ccc(N2CCN(Cc3cc(O)ccc3Br)CC2)cc1 ZINC001138148441 1024235986 /nfs/dbraw/zinc/23/59/86/1024235986.db2.gz DQYJULZZGGLIPQ-UHFFFAOYSA-N 0 0 391.309 3.876 20 10 GHCDRN Cc1c(Br)ccc(F)c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC001138153098 1024249293 /nfs/dbraw/zinc/24/92/93/1024249293.db2.gz XVALMPMKMURIPY-SECBINFHSA-N 0 0 382.229 3.669 20 10 GHCDRN CCC1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 ZINC000837263718 1024298665 /nfs/dbraw/zinc/29/86/65/1024298665.db2.gz JODAEUYLJCBYON-ZROIWOOFSA-N 0 0 380.560 3.598 20 10 GHCDRN CON1CCC(N(C)C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1 ZINC000837268278 1024306259 /nfs/dbraw/zinc/30/62/59/1024306259.db2.gz FACMYQLLAKBDIT-UHFFFAOYSA-N 0 0 375.900 3.845 20 10 GHCDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3ccc(N)cc3)cc2[N+](=O)[O-])C1 ZINC000837303043 1024328377 /nfs/dbraw/zinc/32/83/77/1024328377.db2.gz REYGFLSQNYECCB-GASCZTMLSA-N 0 0 382.464 3.589 20 10 GHCDRN C[C@@H](NC(=O)COCc1cccc(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000837369751 1024387454 /nfs/dbraw/zinc/38/74/54/1024387454.db2.gz UNDOEAXJTQVIPE-MRXNPFEDSA-N 0 0 388.895 3.571 20 10 GHCDRN CCO[C@H]1C[C@@](CO)(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1(C)C ZINC001138271152 1024515595 /nfs/dbraw/zinc/51/55/95/1024515595.db2.gz FOOSDGFQENMCAS-UGKGYDQZSA-N 0 0 388.483 3.529 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)c1c(Br)nc2n1CCC2 ZINC000831417055 1024552532 /nfs/dbraw/zinc/55/25/32/1024552532.db2.gz XHNLCFRCOLSHOB-UHFFFAOYSA-N 0 0 392.297 3.740 20 10 GHCDRN CC(C)(C)OC(=O)[C@]1(C)CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000837627495 1024595931 /nfs/dbraw/zinc/59/59/31/1024595931.db2.gz VVLMDINIYLVCPL-JOCHJYFZSA-N 0 0 387.524 3.550 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@@H]2CCOC[C@H]2C)c(C)n1-c1ccc(Cl)cn1 ZINC000837672220 1024623663 /nfs/dbraw/zinc/62/36/63/1024623663.db2.gz CMQFQCJJDMPBAV-MLGOLLRUSA-N 0 0 390.867 3.541 20 10 GHCDRN Cc1ccc(SCC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000837703251 1024646932 /nfs/dbraw/zinc/64/69/32/1024646932.db2.gz BKJDAIRKNLFBNX-UHFFFAOYSA-N 0 0 392.471 3.518 20 10 GHCDRN O=C(/C=C\Sc1ccccc1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837705632 1024648148 /nfs/dbraw/zinc/64/81/48/1024648148.db2.gz QVJMABDIHHPRRW-WDZFZDKYSA-N 0 0 390.455 3.724 20 10 GHCDRN C[C@H](C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cccc(Cl)c1 ZINC000837709966 1024653113 /nfs/dbraw/zinc/65/31/13/1024653113.db2.gz YLZUJYQEZFVNRU-ZDUSSCGKSA-N 0 0 394.849 3.875 20 10 GHCDRN COc1cc(N)c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1Br ZINC001138364485 1024729087 /nfs/dbraw/zinc/72/90/87/1024729087.db2.gz WFZPBMGTLIBZOH-NSHDSACASA-N 0 0 392.297 3.597 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001205061253 1033231519 /nfs/dbraw/zinc/23/15/19/1033231519.db2.gz QEYAHTOMHLKQPL-AWEZNQCLSA-N 0 0 399.329 3.904 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001141374467 1024767274 /nfs/dbraw/zinc/76/72/74/1024767274.db2.gz JEYDQCOIHYTPSV-AWEZNQCLSA-N 0 0 383.673 3.856 20 10 GHCDRN COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141377061 1024774716 /nfs/dbraw/zinc/77/47/16/1024774716.db2.gz HZEIVYFDTZWFLT-SNVBAGLBSA-N 0 0 376.678 3.583 20 10 GHCDRN CCC1(c2ccccc2)CN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000837881178 1024778045 /nfs/dbraw/zinc/77/80/45/1024778045.db2.gz APGNFHLUDGOIIL-IBGZPJMESA-N 0 0 393.531 3.957 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@@H]2C[C@H]2C(F)(F)F)c(C)n1-c1ccc(F)cn1 ZINC000838019059 1024882006 /nfs/dbraw/zinc/88/20/06/1024882006.db2.gz KCBZXYSAQBTQHF-ZIAGYGMSSA-N 0 0 384.329 3.553 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N[C@@H]([C@H](CO)C3CC3)C3CC3)cc2)CC1 ZINC000838375067 1025092495 /nfs/dbraw/zinc/09/24/95/1025092495.db2.gz CESXTTSEXWKAAL-FGZHOGPDSA-N 0 0 385.552 3.519 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3[C@@H]3CCC[C@@H]3O)cc2)CC1 ZINC000838377927 1025096351 /nfs/dbraw/zinc/09/63/51/1025096351.db2.gz XUAKWUIBESJWJV-BDTNDASRSA-N 0 0 385.552 3.758 20 10 GHCDRN CCOC1CN(C(=O)c2cc(C)n(-c3ccccc3Br)c2C)C1 ZINC001141456607 1025108914 /nfs/dbraw/zinc/10/89/14/1025108914.db2.gz BKNLXXGLDVZAOR-UHFFFAOYSA-N 0 0 377.282 3.718 20 10 GHCDRN C[C@@H](NC(=O)N(C)[C@@H](CO)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000838560094 1025209742 /nfs/dbraw/zinc/20/97/42/1025209742.db2.gz ULKZNZJZWIGDHZ-KUHUBIRLSA-N 0 0 375.900 3.842 20 10 GHCDRN O=C(Nc1cccnc1F)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000832088071 1025213568 /nfs/dbraw/zinc/21/35/68/1025213568.db2.gz DFDFNSBOLOKQJM-GFCCVEGCSA-N 0 0 380.370 3.613 20 10 GHCDRN O=C(NC[C@H]1CSc2ccccc21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000838628102 1025248120 /nfs/dbraw/zinc/24/81/20/1025248120.db2.gz LOAJUILMIWCJDM-ROUUACIJSA-N 0 0 398.528 3.972 20 10 GHCDRN CCO[C@@H]1CCC[C@H]1NC(=O)N(CC)Cc1cc(Br)ccc1O ZINC000838725396 1025325607 /nfs/dbraw/zinc/32/56/07/1025325607.db2.gz ACXOXQINZHXYJP-GDBMZVCRSA-N 0 0 385.302 3.644 20 10 GHCDRN COc1cccnc1CNC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000838722790 1025325770 /nfs/dbraw/zinc/32/57/70/1025325770.db2.gz AMPHOQBMKCHOEV-UHFFFAOYSA-N 0 0 394.475 3.661 20 10 GHCDRN C[C@@H]1CCC[C@H](N(C)C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000838746071 1025341226 /nfs/dbraw/zinc/34/12/26/1025341226.db2.gz DJAJYIFHIWXKTQ-ZBFHGGJFSA-N 0 0 381.467 3.522 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(F)cc1SC ZINC000832373163 1025498180 /nfs/dbraw/zinc/49/81/80/1025498180.db2.gz HBEADSOCZBNNIF-UHFFFAOYSA-N 0 0 376.453 3.631 20 10 GHCDRN C[C@H]1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)CC[S@@]1=O ZINC000839065224 1025554284 /nfs/dbraw/zinc/55/42/84/1025554284.db2.gz ZJINBWLHSLYVEQ-WNSKOXEYSA-N 0 0 399.398 3.782 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CC[C@@H]1[C@@H](C)Nc2ccnn2[C@@H]1C ZINC001162114767 1025612818 /nfs/dbraw/zinc/61/28/18/1025612818.db2.gz POSHEHRMARBXRJ-XKGFGPFHSA-N 0 0 397.567 3.776 20 10 GHCDRN Fc1ccc2nc(CNCc3cc(F)c(N4CCOCC4)c(F)c3)sc2c1 ZINC000839143655 1025638942 /nfs/dbraw/zinc/63/89/42/1025638942.db2.gz APTXDFQZFGVIRE-UHFFFAOYSA-N 0 0 393.434 3.840 20 10 GHCDRN Cc1c2cc(Br)ccc2oc1C(=O)NCc1ccc(O)cc1O ZINC001162271388 1025697336 /nfs/dbraw/zinc/69/73/36/1025697336.db2.gz CPKSAEJGWOQRDJ-UHFFFAOYSA-N 0 0 376.206 3.845 20 10 GHCDRN CCC(CC)CN(CC)C(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000839245066 1025752532 /nfs/dbraw/zinc/75/25/32/1025752532.db2.gz MZMHZMPYYQQELU-UHFFFAOYSA-N 0 0 387.568 3.920 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)C/C(C)=C/c1ccccc1 ZINC000839274279 1025772879 /nfs/dbraw/zinc/77/28/79/1025772879.db2.gz YRJGFMXFQMKLGO-OBGWFSINSA-N 0 0 380.488 3.693 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+]Cc2ccc(N3CCCC3)nc2)c1 ZINC001461032489 1069347199 /nfs/dbraw/zinc/34/71/99/1069347199.db2.gz TYBTWIAVPQHPGI-UHFFFAOYSA-N 0 0 376.298 3.748 20 10 GHCDRN O=C(NCc1ccc2cccnc2c1O)c1cc(F)cc(Br)c1F ZINC001162612571 1025829420 /nfs/dbraw/zinc/82/94/20/1025829420.db2.gz MJDWVDJGGCUBKR-UHFFFAOYSA-N 0 0 393.187 3.911 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001139134010 1025947742 /nfs/dbraw/zinc/94/77/42/1025947742.db2.gz VQTXWUWAXKRBLF-RXVVDRJESA-N 0 0 390.483 3.513 20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2F)C[C@H](C)O1 ZINC000839549391 1026043461 /nfs/dbraw/zinc/04/34/61/1026043461.db2.gz JKMSXQRHTZPDIG-FEHORTKBSA-N 0 0 382.479 3.859 20 10 GHCDRN CC[C@H](C)C[C@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)OC ZINC001163178144 1026078437 /nfs/dbraw/zinc/07/84/37/1026078437.db2.gz YOWFSFSLODGLLH-XOBRGWDASA-N 0 0 386.492 3.810 20 10 GHCDRN COC(=O)c1ccc(N[C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)nc1C(=O)OC ZINC001163486731 1026210599 /nfs/dbraw/zinc/21/05/99/1026210599.db2.gz NEIHAESSNMQPKN-IBGZPJMESA-N 0 0 398.459 3.713 20 10 GHCDRN Cc1ccc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c(Br)n1 ZINC000839918548 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/nfs/dbraw/zinc/05/88/64/1035058864.db2.gz HVOFLNGZHKMAMA-UHFFFAOYSA-N 0 0 375.472 3.688 20 10 GHCDRN COC(OC)c1ccc(NC(=O)C(C)(C)C)c(NCc2cccc(C)c2O)n1 ZINC001160770506 1035063328 /nfs/dbraw/zinc/06/33/28/1035063328.db2.gz YDMGTGAWNGTRCD-UHFFFAOYSA-N 0 0 387.480 3.984 20 10 GHCDRN Cc1cccc(CNc2cc(N3CCN(c4ccccc4F)CC3)ncn2)c1O ZINC001160770165 1035063486 /nfs/dbraw/zinc/06/34/86/1035063486.db2.gz SHFLEOCGNQMRFK-UHFFFAOYSA-N 0 0 393.466 3.568 20 10 GHCDRN Cc1cc(C)c(CNC(F)(F)COC(=O)Nc2cccnc2Cl)c(O)c1 ZINC001160811822 1035070971 /nfs/dbraw/zinc/07/09/71/1035070971.db2.gz YTFXXCCHEJUGIO-UHFFFAOYSA-N 0 0 385.798 3.989 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC(C)(C)[C@H]3COC[C@H]32)ccc1C ZINC001161629281 1035274872 /nfs/dbraw/zinc/27/48/72/1035274872.db2.gz KASQLFNQIGKXAD-PZJWPPBQSA-N 0 0 380.488 3.712 20 10 GHCDRN COC(=O)CN(C/C=C\c1ccc(N(C)C)cc1)Cc1cc(Cl)ccc1O ZINC001461973642 1069923877 /nfs/dbraw/zinc/92/38/77/1069923877.db2.gz HFYFAYHBJXJHFF-PLNGDYQASA-N 0 0 388.895 3.800 20 10 GHCDRN Nc1ccc(Cc2nc(-c3cccc(-n4cc(Br)cn4)c3)no2)cc1 ZINC001248184398 1035612809 /nfs/dbraw/zinc/61/28/09/1035612809.db2.gz TYFVGUIHXNNJQX-UHFFFAOYSA-N 0 0 396.248 3.858 20 10 GHCDRN COc1ccc(CNCc2nc(-c3cccc4ccc(C)nc43)no2)c(O)c1 ZINC001248247593 1035695162 /nfs/dbraw/zinc/69/51/62/1035695162.db2.gz JVTVRNJLUJMVJK-UHFFFAOYSA-N 0 0 376.416 3.597 20 10 GHCDRN Cn1ccc2c1cccc2-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1 ZINC001241823877 1035712845 /nfs/dbraw/zinc/71/28/45/1035712845.db2.gz FKIFUGNIKJISOD-UHFFFAOYSA-N 0 0 391.438 3.977 20 10 GHCDRN CCOC(=O)[C@H](C)n1cc(Nc2ccc(C(=O)Oc3ccc(N)cc3)cc2)cn1 ZINC001248386329 1035797269 /nfs/dbraw/zinc/79/72/69/1035797269.db2.gz APRAXKKLAHRINK-AWEZNQCLSA-N 0 0 394.431 3.552 20 10 GHCDRN CCOC(=O)Cn1ccc2c1ncnc2-c1cccnc1OC1CCCCC1 ZINC001242231077 1035870620 /nfs/dbraw/zinc/87/06/20/1035870620.db2.gz YDADXOTXDDVFTA-UHFFFAOYSA-N 0 0 380.448 3.768 20 10 GHCDRN COc1ccc(C[N@H+](C)C2CCCCC2)c([O-])c1I ZINC001248476441 1035903857 /nfs/dbraw/zinc/90/38/57/1035903857.db2.gz GHSCZTPDAQKEFQ-UHFFFAOYSA-N 0 0 375.250 3.770 20 10 GHCDRN COc1ccc(N2CCN(Cc3coc(-c4ccc(F)cc4)n3)CC2)c(OC)c1 ZINC001248856417 1036209833 /nfs/dbraw/zinc/20/98/33/1036209833.db2.gz WPCAJBAUYXTBDC-UHFFFAOYSA-N 0 0 397.450 3.820 20 10 GHCDRN COc1cc(NC(=S)NCc2cc(C)c(Br)cn2)cc(OC)c1 ZINC001245001549 1036729446 /nfs/dbraw/zinc/72/94/46/1036729446.db2.gz WDSCGAQQZCMNKD-UHFFFAOYSA-N 0 0 396.310 3.656 20 10 GHCDRN C[C@@]1([NH2+]Cc2ccc(F)c(F)c2[O-])CCN(C(=O)OCc2ccccc2)C1 ZINC001462173922 1070052618 /nfs/dbraw/zinc/05/26/18/1070052618.db2.gz HJDCOEFOWQLLQF-HXUWFJFHSA-N 0 0 376.403 3.561 20 10 GHCDRN CCOc1ccc(N2CCN(C(=S)Nc3c(F)cccc3F)CC2)cc1 ZINC001247075119 1037896635 /nfs/dbraw/zinc/89/66/35/1037896635.db2.gz IUHKFMBNFIWOAJ-UHFFFAOYSA-N 0 0 377.460 3.883 20 10 GHCDRN CS(=O)(=O)c1cccc([C@@H]2CCCN(Cc3cc(Cl)c(O)cc3O)C2)c1 ZINC001232263225 1037985011 /nfs/dbraw/zinc/98/50/11/1037985011.db2.gz KUAINCRGAYJFLV-CQSZACIVSA-N 0 0 395.908 3.534 20 10 GHCDRN COc1cc(O)c(CN2CCCn3cnc(COC(C)C)c3C2)cc1Cl ZINC001232265198 1037986686 /nfs/dbraw/zinc/98/66/86/1037986686.db2.gz RBQCSAJEQHKQDU-UHFFFAOYSA-N 0 0 379.888 3.582 20 10 GHCDRN COc1cc(O)c(CN2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)cc1Cl ZINC001232265687 1037986849 /nfs/dbraw/zinc/98/68/49/1037986849.db2.gz AFUWIVQUZHLQOH-FBBABVLZSA-N 0 0 395.927 3.993 20 10 GHCDRN Oc1cc(O)c(CN2CCN(c3cccc(Br)c3)CC2)cc1Cl ZINC001232268723 1037991621 /nfs/dbraw/zinc/99/16/21/1037991621.db2.gz QGUBXEJASGVOEV-UHFFFAOYSA-N 0 0 397.700 3.836 20 10 GHCDRN CCOC(=O)c1cc2c(s1)CCN(Cc1cc(Cl)c(OC)cc1O)C2 ZINC001232269711 1037993883 /nfs/dbraw/zinc/99/38/83/1037993883.db2.gz IMNUXSNVEOQKMP-UHFFFAOYSA-N 0 0 381.881 3.851 20 10 GHCDRN COc1cc(O)c(CN2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1Cl ZINC001232269581 1037994057 /nfs/dbraw/zinc/99/40/57/1037994057.db2.gz FOBBBVDGKFMXGJ-BETUJISGSA-N 0 0 384.904 3.884 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](NCc2ccc(Cl)cc2O)C1 ZINC001462244887 1070115705 /nfs/dbraw/zinc/11/57/05/1070115705.db2.gz DVNIVILQXLKCGW-CQSZACIVSA-N 0 0 376.831 3.780 20 10 GHCDRN COc1ccc(N2CCN(Cc3ccc(-n4cccn4)cc3Cl)CC2)cc1 ZINC001232594761 1038370681 /nfs/dbraw/zinc/37/06/81/1038370681.db2.gz ALWCPDUOPSFRGL-UHFFFAOYSA-N 0 0 382.895 3.857 20 10 GHCDRN CCCn1cnc(CN2CCN(c3ccc(OCc4cccnc4)cc3)CC2)c1 ZINC001232801996 1038564206 /nfs/dbraw/zinc/56/42/06/1038564206.db2.gz QRIPLOILCGWLJX-UHFFFAOYSA-N 0 0 391.519 3.589 20 10 GHCDRN Cc1cnc2n1CCC21CC[NH+](Cc2c([O-])cc(Br)cc2F)CC1 ZINC001233030136 1038782680 /nfs/dbraw/zinc/78/26/80/1038782680.db2.gz XADCKDFEDCEHHN-UHFFFAOYSA-N 0 0 394.288 3.736 20 10 GHCDRN COCCN(Cc1ccccc1)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001251981216 1038791390 /nfs/dbraw/zinc/79/13/90/1038791390.db2.gz IIUGAZFRQQNYMO-IBGZPJMESA-N 0 0 383.536 3.850 20 10 GHCDRN Cc1cc(C)cc([C@H](O)CNC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC001251990559 1038797435 /nfs/dbraw/zinc/79/74/35/1038797435.db2.gz WIAZGPPVLOUEHV-PGRDOPGGSA-N 0 0 383.536 3.642 20 10 GHCDRN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3[C@H](CCN3C(=O)C(C)C)C2)c1O ZINC001233109111 1038899475 /nfs/dbraw/zinc/89/94/75/1038899475.db2.gz UFCYEMKJGLEYCV-RHSMWYFYSA-N 0 0 395.341 3.542 20 10 GHCDRN Fc1ccc2c(c1)n[nH]c2CN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001233124604 1038910798 /nfs/dbraw/zinc/91/07/98/1038910798.db2.gz MWXFCWDESOZGKQ-UHFFFAOYSA-N 0 0 394.372 3.923 20 10 GHCDRN Cc1cc(CN2CCN(c3ccc(OCc4cccnc4)cc3)CC2)cnc1C ZINC001233164954 1038937488 /nfs/dbraw/zinc/93/74/88/1038937488.db2.gz NLWXQYVYYBXKNX-UHFFFAOYSA-N 0 0 388.515 3.995 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](Cc4ccccc4)[C@H]3C)C2)cc1 ZINC001252925150 1039264069 /nfs/dbraw/zinc/26/40/69/1039264069.db2.gz ZWYQQPZXTOIQRO-GIVPXCGWSA-N 0 0 393.531 3.937 20 10 GHCDRN [O-]c1c(C[NH+]2CCC3(C[C@H](c4cncnc4)CO3)CC2)cccc1C(F)(F)F ZINC001233416714 1039272173 /nfs/dbraw/zinc/27/21/73/1039272173.db2.gz SMFQZYYGTTUPIC-HNNXBMFYSA-N 0 0 393.409 3.740 20 10 GHCDRN CCOC[C@H]1CN(Cc2ccc(C(F)(F)F)cc2O)Cc2nn(CC)cc21 ZINC001233453206 1039338967 /nfs/dbraw/zinc/33/89/67/1039338967.db2.gz YVONPGHNYKFWNO-CQSZACIVSA-N 0 0 383.414 3.763 20 10 GHCDRN CCOC(=O)c1nc2c(s1)CN(Cc1ccc(C(F)(F)F)cc1O)CC2 ZINC001233455053 1039345941 /nfs/dbraw/zinc/34/59/41/1039345941.db2.gz UHGZPKAGLCVPRL-UHFFFAOYSA-N 0 0 386.395 3.603 20 10 GHCDRN CCCC(=O)c1cc(O)c(O)cc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001233494253 1039386321 /nfs/dbraw/zinc/38/63/21/1039386321.db2.gz AXKRXBWJICENFQ-SFHVURJKSA-N 0 0 399.487 3.751 20 10 GHCDRN CCCOC[C@H](C)Oc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001233517601 1039405411 /nfs/dbraw/zinc/40/54/11/1039405411.db2.gz KKFXBGBODLXZSS-KRWDZBQOSA-N 0 0 378.513 3.938 20 10 GHCDRN CCN1CCc2cc(O[C@H]3COCc4cc(Br)cnc43)ccc21 ZINC001233600849 1039473265 /nfs/dbraw/zinc/47/32/65/1039473265.db2.gz CXRKKYLTQZEXPY-KRWDZBQOSA-N 0 0 375.266 3.877 20 10 GHCDRN CCN1CCc2cc(O[C@@H]3CCN(c4cc(Cl)nc(SC)n4)C3)ccc21 ZINC001233601590 1039475192 /nfs/dbraw/zinc/47/51/92/1039475192.db2.gz KZADYQXFBBPDID-OAHLLOKOSA-N 0 0 390.940 3.892 20 10 GHCDRN Cc1cc(CCNC(=O)N2CCCC[C@H]2[C@H](C)CO)c(C)n1-c1ccccc1 ZINC001233972406 1039737434 /nfs/dbraw/zinc/73/74/34/1039737434.db2.gz DJIRWRWEYVNKKN-VGSWGCGISA-N 0 0 383.536 3.829 20 10 GHCDRN Cc1cc(CCNC(=O)N2CCCCC[C@H]2CCO)c(C)n1-c1ccccc1 ZINC001233974176 1039738977 /nfs/dbraw/zinc/73/89/77/1039738977.db2.gz LXOQLRCKSBPYKU-NRFANRHFSA-N 0 0 383.536 3.973 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cnn(-c3ccncc3)c2C)cc1 ZINC001253755618 1039795596 /nfs/dbraw/zinc/79/55/96/1039795596.db2.gz VCWPNHYVSDORRQ-UHFFFAOYSA-N 0 0 377.492 3.694 20 10 GHCDRN O=C1C[C@]2(CN1CC(F)F)CCCC[N@H+]2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001277830697 1039820637 /nfs/dbraw/zinc/82/06/37/1039820637.db2.gz RUBAOASIDXYZGP-KRWDZBQOSA-N 0 0 393.261 3.921 20 10 GHCDRN COc1ccc(N2CCN(C(=O)N[C@@H]3CCC[C@H](C)CC3)CC2)c(OC)c1 ZINC001234241161 1039935061 /nfs/dbraw/zinc/93/50/61/1039935061.db2.gz RPAVYCARRISWJO-DLBZAZTESA-N 0 0 375.513 3.504 20 10 GHCDRN C[C@H](COc1c(F)cccc1F)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001234554710 1040123597 /nfs/dbraw/zinc/12/35/97/1040123597.db2.gz CYTBYYCIXYHPHM-ZIAGYGMSSA-N 0 0 377.435 3.859 20 10 GHCDRN COc1c(O[C@H](C)C(C)C)c(OC)c2c(c1OC)C(=O)c1ccccc1C2=O ZINC001234793988 1040325029 /nfs/dbraw/zinc/32/50/29/1040325029.db2.gz AOBMIRPFSFISDJ-GFCCVEGCSA-N 0 0 384.428 3.911 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)NCCn2ccc(C(F)(F)F)n2)cc1 ZINC001254935644 1040675748 /nfs/dbraw/zinc/67/57/48/1040675748.db2.gz JWGDBUAEWUPVGK-UHFFFAOYSA-N 0 0 397.445 3.590 20 10 GHCDRN CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235301393 1040774757 /nfs/dbraw/zinc/77/47/57/1040774757.db2.gz GYTBBIGIIAGWTL-LLVKDONJSA-N 0 0 388.277 3.848 20 10 GHCDRN CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(F)cc(Br)c1[O-] ZINC001235305546 1040779085 /nfs/dbraw/zinc/77/90/85/1040779085.db2.gz NHFUZXGSBKWAIO-UHFFFAOYSA-N 0 0 391.281 3.640 20 10 GHCDRN COc1ccc(N2CCN(Cc3cnc(OC(C)C)cc3C)CC2)c(OC)c1 ZINC001235433774 1040934645 /nfs/dbraw/zinc/93/46/45/1040934645.db2.gz SQJIASSBISGZNU-UHFFFAOYSA-N 0 0 385.508 3.517 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)[C@H](OC(C)(C)C)c3ccccc3)C2)cc1 ZINC001278860753 1040965840 /nfs/dbraw/zinc/96/58/40/1040965840.db2.gz AXCYOJDJTCUZMF-GHTZIAJQSA-N 0 0 382.504 3.947 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)CSCc3ccc(Cl)cc3)C2)cc1 ZINC001278861022 1040966786 /nfs/dbraw/zinc/96/67/86/1040966786.db2.gz FHCCAPMNZFUSMG-QGZVFWFLSA-N 0 0 390.936 3.977 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)CCCOc3ccc4c(c3)CCC4)C2)cc1 ZINC001278861113 1040967510 /nfs/dbraw/zinc/96/75/10/1040967510.db2.gz GTKDJSUYFGDWHZ-HXUWFJFHSA-N 0 0 394.515 3.738 20 10 GHCDRN CNc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001278861318 1040967646 /nfs/dbraw/zinc/96/76/46/1040967646.db2.gz HWOAURVCGSGIHX-CQSZACIVSA-N 0 0 393.409 3.764 20 10 GHCDRN CCOc1ccc(N2CCN(Cc3c(C)cncc3Br)CC2)cc1 ZINC001235648510 1041090464 /nfs/dbraw/zinc/09/04/64/1041090464.db2.gz BNKBMTLQPRIKNF-UHFFFAOYSA-N 0 0 390.325 3.873 20 10 GHCDRN COCOc1ccc(-c2ncnc3c2ccn3COCC[Si](C)(C)C)cn1 ZINC001235934172 1041437527 /nfs/dbraw/zinc/43/75/27/1041437527.db2.gz ZLXHGXWJJXLUHB-UHFFFAOYSA-N 0 0 386.528 3.788 20 10 GHCDRN C[C@@H](NC(=O)NC[C@H]1CCCCCN1C(=O)OC(C)(C)C)c1ccccc1O ZINC001256172750 1041619101 /nfs/dbraw/zinc/61/91/01/1041619101.db2.gz SLRFLWFPTZECMI-HZPDHXFCSA-N 0 0 391.512 3.932 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)c1 ZINC001236663107 1041811006 /nfs/dbraw/zinc/81/10/06/1041811006.db2.gz BQOASJVKQFYGNN-LPHOPBHVSA-N 0 0 396.325 3.623 20 10 GHCDRN COc1cc(O[C@H]2CC[N@H+](Cc3cc(C)cc(Br)c3[O-])C2)ccn1 ZINC001236669509 1041816876 /nfs/dbraw/zinc/81/68/76/1041816876.db2.gz KNSKRJMAVGYJNK-HNNXBMFYSA-N 0 0 393.281 3.520 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H](Oc3ncccc3C)C2)c1 ZINC001236671287 1041818542 /nfs/dbraw/zinc/81/85/42/1041818542.db2.gz TZSXFXFGKWWGFO-HNNXBMFYSA-N 0 0 377.282 3.820 20 10 GHCDRN Cc1ccc(N2CCN(Cc3cc(O)c(Br)cc3O)CC2)c(C)c1 ZINC001236770491 1041882065 /nfs/dbraw/zinc/88/20/65/1041882065.db2.gz ICMMVTGJIJOPCK-UHFFFAOYSA-N 0 0 391.309 3.799 20 10 GHCDRN CC(C)(C)C(=O)N1CCN(Cc2cc(OCc3ccccc3)ccc2O)CC1 ZINC001236783095 1041889660 /nfs/dbraw/zinc/88/96/60/1041889660.db2.gz POFJRMKIARXTRU-UHFFFAOYSA-N 0 0 382.504 3.662 20 10 GHCDRN CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cc(Cl)c(Cl)cc3[O-])C[C@H]21 ZINC001236792142 1041897896 /nfs/dbraw/zinc/89/78/96/1041897896.db2.gz CFXOUFCYPQPHSI-XYYAHUGASA-N 0 0 387.307 3.902 20 10 GHCDRN Cc1cnc2n1CCN(C)C21CC[NH+](Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236792884 1041897967 /nfs/dbraw/zinc/89/79/67/1041897967.db2.gz IWXULIPYOKLLEZ-UHFFFAOYSA-N 0 0 395.334 3.641 20 10 GHCDRN COc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1Cl ZINC001236803260 1041905196 /nfs/dbraw/zinc/90/51/96/1041905196.db2.gz YHZTYSLQMMQWJJ-UKRRQHHQSA-N 0 0 396.915 3.886 20 10 GHCDRN COc1cc(O)c(CN2CCN(c3ccccc3Cl)C(=O)C2)c(Cl)c1 ZINC001236806669 1041907988 /nfs/dbraw/zinc/90/79/88/1041907988.db2.gz YUAGEKMIAHSKTP-UHFFFAOYSA-N 0 0 381.259 3.556 20 10 GHCDRN COc1ccc(C[NH+]2CCC3(CC2)OC(=O)Nc2ncccc23)c([O-])c1Cl ZINC001236808461 1041908726 /nfs/dbraw/zinc/90/87/26/1041908726.db2.gz 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COc1cccc(-c2cc(NC/C=C/c3ccc(N(C)C)cc3)n(CCO)n2)c1 ZINC001473977245 1074224136 /nfs/dbraw/zinc/22/41/36/1074224136.db2.gz YBOXQLJNQDUVSH-AATRIKPKSA-N 0 0 392.503 3.742 20 10 GHCDRN CN(C)c1ccc(/C=C/CN2CCN(C(=O)c3c(F)cccc3F)CC2)cc1 ZINC001474342225 1074353140 /nfs/dbraw/zinc/35/31/40/1074353140.db2.gz RMDFVFFQGYICBQ-SNAWJCMRSA-N 0 0 385.458 3.502 20 10 GHCDRN COC(=O)CN(Cc1c(C)nc2scc(C)n21)Cc1cc(Cl)ccc1O ZINC001474379716 1074375747 /nfs/dbraw/zinc/37/57/47/1074375747.db2.gz GEISCUVKIIBAMA-UHFFFAOYSA-N 0 0 393.896 3.547 20 10 GHCDRN COc1c(C)cnc(C[N@H+](C)Cc2cc(Br)cc(F)c2[O-])c1C ZINC001474432850 1074403724 /nfs/dbraw/zinc/40/37/24/1074403724.db2.gz LZPINWIMPBGMMB-UHFFFAOYSA-N 0 0 383.261 3.946 20 10 GHCDRN CCOC(=O)[C@@H](NC/C=C/c1ccc(N(C)C)cc1)c1ccc(OC)c(F)c1 ZINC001474458852 1074416099 /nfs/dbraw/zinc/41/60/99/1074416099.db2.gz NNFIDHARVQOLIW-BXKJMJEDSA-N 0 0 386.467 3.808 20 10 GHCDRN C[C@H]1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)[C@H](C(N)=O)C1 ZINC001474466030 1074418829 /nfs/dbraw/zinc/41/88/29/1074418829.db2.gz FSSJITIGTNJQFT-KSSFIOAISA-N 0 0 394.357 3.525 20 10 GHCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2c(C)cc(OC)cc2C)cc1F ZINC001474954484 1074650239 /nfs/dbraw/zinc/65/02/39/1074650239.db2.gz YNWCYMHEALSBTB-UHFFFAOYSA-N 0 0 394.512 3.776 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)c1cccc2c1CCCC2 ZINC001475403038 1074862703 /nfs/dbraw/zinc/86/27/03/1074862703.db2.gz UJDYAOWWMZHQQF-KRWDZBQOSA-N 0 0 386.561 3.849 20 10 GHCDRN CC[C@@](C)(O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)OC ZINC001494774660 1079359174 /nfs/dbraw/zinc/35/91/74/1079359174.db2.gz WSISZFYVSXQWHY-OAQYLSRUSA-N 0 0 383.496 3.511 20 10 GHCDRN CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@](C)(O)c1ccco1 ZINC001495135024 1079385131 /nfs/dbraw/zinc/38/51/31/1079385131.db2.gz CZNRXJAVQLYQQA-YCRPNKLZSA-N 0 0 384.480 3.634 20 10 GHCDRN Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737227959 598610418 /nfs/dbraw/zinc/61/04/18/598610418.db2.gz RBGGXFNBUQFFDC-XOBRGWDASA-N 0 0 392.507 3.925 20 10 GHCDRN Cc1cc(C(=O)N(C)c2ccc(C)cc2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737347853 598612247 /nfs/dbraw/zinc/61/22/47/598612247.db2.gz ROHOXTZCKTYRIQ-UHFFFAOYSA-N 0 0 386.459 3.859 20 10 GHCDRN CCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736506401 599309645 /nfs/dbraw/zinc/30/96/45/599309645.db2.gz XFRXQMNERCOPPV-UHFFFAOYSA-N 0 0 386.459 3.941 20 10 GHCDRN COc1ccc(CSc2ncc(-c3ccccc3)n2C)cc1-c1nn[nH]n1 ZINC000826207775 607537450 /nfs/dbraw/zinc/53/74/50/607537450.db2.gz CRRSURFIONYLIH-UHFFFAOYSA-N 0 0 378.461 3.568 20 10 GHCDRN COc1ccc(O)c([C@@H](C)[NH2+][C@H](C(=O)[O-])c2cccc(Br)c2)c1 ZINC000833733228 605126844 /nfs/dbraw/zinc/12/68/44/605126844.db2.gz DGHRFFXCWQDLCS-HWPZZCPQSA-N 0 0 380.238 3.640 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(Br)ccc1F ZINC000173206679 837599989 /nfs/dbraw/zinc/59/99/89/837599989.db2.gz QQHMVPWYCGLKRF-UHFFFAOYSA-N 0 0 379.229 3.693 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)c2cnn(-c3cccc(F)c3)c2C(F)(F)F)c1 ZINC001167293743 837670705 /nfs/dbraw/zinc/67/07/05/837670705.db2.gz QKFNDXRSHQPGQG-UHFFFAOYSA-N 0 0 393.340 3.974 20 10 GHCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Oc1cccc(N2CCCC2=O)c1 ZINC000052397745 834525441 /nfs/dbraw/zinc/52/54/41/834525441.db2.gz KRTABPRVTLUSKS-UHFFFAOYSA-N 0 0 375.384 3.596 20 10 GHCDRN O=C(OCc1ccc(Cl)nc1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000023373578 834617506 /nfs/dbraw/zinc/61/75/06/834617506.db2.gz HFINOLUMQHZKFJ-UHFFFAOYSA-N 0 0 377.783 3.867 20 10 GHCDRN COc1ccc(N2CCN(C(=O)C(F)(F)c3ccc(Cl)cc3)CC2)cc1 ZINC001266268250 834630392 /nfs/dbraw/zinc/63/03/92/834630392.db2.gz CUPPXDBVNASLIG-UHFFFAOYSA-N 0 0 380.822 3.789 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Cc1nc(C)sc1C ZINC000128923248 834775027 /nfs/dbraw/zinc/77/50/27/834775027.db2.gz AIGWZVYMDNHICU-UHFFFAOYSA-N 0 0 383.311 3.819 20 10 GHCDRN C[C@H](NC(=O)c1ccc2c(c1)CC(C)(C)O2)c1ccc(N2CCOCC2)cc1 ZINC000843536603 834861494 /nfs/dbraw/zinc/86/14/94/834861494.db2.gz IKRNYTBQUHSKQC-INIZCTEOSA-N 0 0 380.488 3.728 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1cccc2c1OCO2 ZINC000052561232 834990923 /nfs/dbraw/zinc/99/09/23/834990923.db2.gz LHGHZPYKCQRWLA-UHFFFAOYSA-N 0 0 381.476 3.747 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](c1cnn(C)c1)C(F)(F)F ZINC000278413088 835008284 /nfs/dbraw/zinc/00/82/84/835008284.db2.gz SENQXVPDJTYMLX-QGZVFWFLSA-N 0 0 397.445 3.710 20 10 GHCDRN Cc1ccc(CN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C2CC2)o1 ZINC000139996321 835011890 /nfs/dbraw/zinc/01/18/90/835011890.db2.gz MNFJMIVEVDFMBF-QGZVFWFLSA-N 0 0 383.492 3.860 20 10 GHCDRN Cc1ccc(C(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)s1 ZINC000007130845 835053344 /nfs/dbraw/zinc/05/33/44/835053344.db2.gz DVJVQWBCIQSJPB-UHFFFAOYSA-N 0 0 390.416 3.872 20 10 GHCDRN C[C@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000274800302 835387219 /nfs/dbraw/zinc/38/72/19/835387219.db2.gz VDFRMGDZEPISGR-LBPRGKRZSA-N 0 0 382.291 3.781 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000471178416 835459264 /nfs/dbraw/zinc/45/92/64/835459264.db2.gz VPVOKFRJZOCMHH-CYBMUJFWSA-N 0 0 378.432 3.528 20 10 GHCDRN COc1ccc(CNc2cc(F)ccc2OC[C@H]2CCCO2)c(O)c1OC ZINC000892371732 835704684 /nfs/dbraw/zinc/70/46/84/835704684.db2.gz GWIHZBNLCNOUOS-OAHLLOKOSA-N 0 0 377.412 3.718 20 10 GHCDRN C[C@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278675586 835768722 /nfs/dbraw/zinc/76/87/22/835768722.db2.gz JNGZMKZLPDJCEF-LBPRGKRZSA-N 0 0 382.291 3.781 20 10 GHCDRN O=C(Nc1ccc2oc(=O)ccc2c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000065801103 835790240 /nfs/dbraw/zinc/79/02/40/835790240.db2.gz KEXUGAPWJANCFX-SFHVURJKSA-N 0 0 394.427 3.712 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cccc(Nc2ccc(C)nn2)c1 ZINC000473259582 844096912 /nfs/dbraw/zinc/09/69/12/844096912.db2.gz MTRINLXYYNFHLC-UHFFFAOYSA-N 0 0 385.471 3.681 20 10 GHCDRN Cc1cc(C(=O)Nc2cnn(-c3ncccn3)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000176825848 835913623 /nfs/dbraw/zinc/91/36/23/835913623.db2.gz OGDRKYUDDZENRQ-UHFFFAOYSA-N 0 0 386.459 3.939 20 10 GHCDRN CC(=O)N[C@H](CC(=O)NCc1c(C)c2ccccc2n1C)c1ccc(C)cc1 ZINC000471219937 835951528 /nfs/dbraw/zinc/95/15/28/835951528.db2.gz USHLZLCQLHPJQF-HXUWFJFHSA-N 0 0 377.488 3.679 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Cc2cc(C(C)=O)ccc2OC)cc1 ZINC000728219964 836019145 /nfs/dbraw/zinc/01/91/45/836019145.db2.gz URTBGBZPZYXEKB-UHFFFAOYSA-N 0 0 382.504 3.945 20 10 GHCDRN Cc1nnc(-c2cccc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c2)o1 ZINC000177153691 836073076 /nfs/dbraw/zinc/07/30/76/836073076.db2.gz FWNIZVUYNBXDRH-IBGZPJMESA-N 0 0 393.443 3.572 20 10 GHCDRN COc1ccc([C@H](NC(=O)NCc2cccc(OC)c2O)C(F)(F)F)cc1 ZINC000155119099 836418831 /nfs/dbraw/zinc/41/88/31/836418831.db2.gz CVPGBAVDMLMPRH-INIZCTEOSA-N 0 0 384.354 3.512 20 10 GHCDRN CCCC(=O)Nc1cccc(CNC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000728947120 844172411 /nfs/dbraw/zinc/17/24/11/844172411.db2.gz ZDHVFOBPERSMBC-AWEZNQCLSA-N 0 0 385.464 3.700 20 10 GHCDRN CC(=O)c1cc(F)cc(CN2C[C@H](CCN3CCCC3=O)c3ccccc32)c1O ZINC000177433197 836534423 /nfs/dbraw/zinc/53/44/23/836534423.db2.gz PMVOUBPMRIVTNX-INIZCTEOSA-N 0 0 396.462 3.850 20 10 GHCDRN COC(=O)Cc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1 ZINC000782733058 836641694 /nfs/dbraw/zinc/64/16/94/836641694.db2.gz XBUZJURESFIMQJ-UHFFFAOYSA-N 0 0 383.492 3.911 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3cnc4cc(OC)ccc4c3)CC2)cc1 ZINC001125322809 836714748 /nfs/dbraw/zinc/71/47/48/836714748.db2.gz OAVSEHIPQYXLKA-UHFFFAOYSA-N 0 0 391.471 3.605 20 10 GHCDRN COc1ccc(N2CCN([C@@H](C)C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 ZINC000066313605 837144132 /nfs/dbraw/zinc/14/41/32/837144132.db2.gz CBDRZGYVMOPIJM-IBGZPJMESA-N 0 0 381.520 3.770 20 10 GHCDRN C[C@H]1CC(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C[C@H](C)O1 ZINC000162152930 837225397 /nfs/dbraw/zinc/22/53/97/837225397.db2.gz RYEQNNTVCYXWEX-KBPBESRZSA-N 0 0 397.466 3.512 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)Nc3cccc(F)c3)ccc21 ZINC000728638699 837254070 /nfs/dbraw/zinc/25/40/70/837254070.db2.gz HINNGZUAYZOFRG-UHFFFAOYSA-N 0 0 398.434 3.839 20 10 GHCDRN CC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000177843163 837287165 /nfs/dbraw/zinc/28/71/65/837287165.db2.gz YLRYVILZHYJFIB-UHFFFAOYSA-N 0 0 392.908 3.621 20 10 GHCDRN CC(C)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000893944445 844274226 /nfs/dbraw/zinc/27/42/26/844274226.db2.gz ZEGQTJJOBBBHHA-UHFFFAOYSA-N 0 0 389.721 3.545 20 10 GHCDRN C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1cnn(CC2CCC2)c1 ZINC000893137115 838221277 /nfs/dbraw/zinc/22/12/77/838221277.db2.gz YXEPDAMGSCEPKA-QGZVFWFLSA-N 0 0 379.508 3.620 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000066701525 838326993 /nfs/dbraw/zinc/32/69/93/838326993.db2.gz SWXUBFSHMIKMQH-UHFFFAOYSA-N 0 0 382.439 3.839 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)Nc2ccccc2C[S@@](C)=O)C2CC2)cc1 ZINC000274123759 838558504 /nfs/dbraw/zinc/55/85/04/838558504.db2.gz XIAFBOJOHCKWDO-HHHXNRCGSA-N 0 0 385.533 3.828 20 10 GHCDRN Cc1ccc(-c2csc(NC(=O)C(=O)N(C)Cc3ccccc3O)n2)cc1C ZINC000175900365 838903514 /nfs/dbraw/zinc/90/35/14/838903514.db2.gz MHJVJJANRSFSSW-UHFFFAOYSA-N 0 0 395.484 3.730 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)[C@@H]3C[C@@]34CCc3ccccc34)CC2)cc1 ZINC000175909136 839014430 /nfs/dbraw/zinc/01/44/30/839014430.db2.gz DOTREMYCAUDMTG-LADGPHEKSA-N 0 0 376.500 3.684 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000471545461 839019666 /nfs/dbraw/zinc/01/96/66/839019666.db2.gz GBVKXXLZFGFNSA-MRXNPFEDSA-N 0 0 388.475 3.628 20 10 GHCDRN COC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1C ZINC000728691803 839176717 /nfs/dbraw/zinc/17/67/17/839176717.db2.gz GVZBUSOOKQDGFP-MRXNPFEDSA-N 0 0 397.475 3.501 20 10 GHCDRN COc1c(Br)c([N+](=O)[O-])c(N2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000014204856 839181009 /nfs/dbraw/zinc/18/10/09/839181009.db2.gz UOWGYZWJYWAKBW-RKDXNWHRSA-N 0 0 388.218 3.756 20 10 GHCDRN NC(=O)Cc1cccc(C(=O)c2ccccc2)c1Nc1cc(F)c(N)c(F)c1 ZINC001210911116 839239779 /nfs/dbraw/zinc/23/97/79/839239779.db2.gz OEOOIFSDEOLYEB-UHFFFAOYSA-N 0 0 381.382 3.549 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](C[C@H](C)O)c1ccccc1 ZINC000155669100 839281915 /nfs/dbraw/zinc/28/19/15/839281915.db2.gz ZJGANBFIZVSJOP-GHTZIAJQSA-N 0 0 383.536 3.839 20 10 GHCDRN Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-])C2 ZINC000363859234 839290102 /nfs/dbraw/zinc/29/01/02/839290102.db2.gz FHHCRTNOHJMEEA-ZANVPECISA-N 0 0 380.261 3.600 20 10 GHCDRN COc1cc(CN2CCO[C@H](c3cccc(OC(F)F)c3)C2)c(O)cc1C ZINC000160507461 839580074 /nfs/dbraw/zinc/58/00/74/839580074.db2.gz IRMAYLDOWORHFB-IBGZPJMESA-N 0 0 379.403 3.884 20 10 GHCDRN COc1cc(CN2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c(O)cc1C ZINC000160507589 839580382 /nfs/dbraw/zinc/58/03/82/839580382.db2.gz IRMAYLDOWORHFB-LJQANCHMSA-N 0 0 379.403 3.884 20 10 GHCDRN CSCc1ccc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000472804384 839778622 /nfs/dbraw/zinc/77/86/22/839778622.db2.gz BOJPBQMYIVDCGO-UHFFFAOYSA-N 0 0 381.501 3.605 20 10 GHCDRN Cc1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)c(Cl)n1 ZINC000193909575 840206186 /nfs/dbraw/zinc/20/61/86/840206186.db2.gz RSUSHOAGRHCSQZ-UHFFFAOYSA-N 0 0 380.897 3.883 20 10 GHCDRN Cc1cc(C(=O)CN2CC[C@@H](C)[S@](=O)CC2)c(C)n1-c1ccc(C)c(F)c1 ZINC000759871786 840286680 /nfs/dbraw/zinc/28/66/80/840286680.db2.gz WQKJYCQLGDSHKE-CHAGWJKLSA-N 0 0 390.524 3.567 20 10 GHCDRN COc1ccc(O)c(CNC(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)c1 ZINC000160662958 840342419 /nfs/dbraw/zinc/34/24/19/840342419.db2.gz QGDCHVJFEAUWHU-UHFFFAOYSA-N 0 0 380.448 3.833 20 10 GHCDRN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000186210866 840361699 /nfs/dbraw/zinc/36/16/99/840361699.db2.gz KWNRBODHMCXEEC-ZJOUEHCJSA-N 0 0 390.524 3.677 20 10 GHCDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000123964305 840366800 /nfs/dbraw/zinc/36/68/00/840366800.db2.gz JMKKAHCKLUIYCJ-QGZVFWFLSA-N 0 0 385.420 3.822 20 10 GHCDRN CC(C)Cn1nccc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000843554764 840377506 /nfs/dbraw/zinc/37/75/06/840377506.db2.gz RBYFWZSRVSCXCC-HNNXBMFYSA-N 0 0 392.450 3.539 20 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COc1ccc(N2CCN(C(=O)COc3cccc(C(C)C)c3)CC2)cc1F ZINC000857464662 882278077 /nfs/dbraw/zinc/27/80/77/882278077.db2.gz JLSKPVDPTDKQGI-UHFFFAOYSA-N 0 0 386.467 3.685 20 10 GHCDRN COCCOc1ccc(Cl)cc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000857473251 882286773 /nfs/dbraw/zinc/28/67/73/882286773.db2.gz VFEPWDFVPLNHGU-UHFFFAOYSA-N 0 0 389.879 3.880 20 10 GHCDRN Cc1cc(C(=O)NCc2noc(-c3cccs3)n2)c(C)n1-c1ccccn1 ZINC000745115621 869319375 /nfs/dbraw/zinc/31/93/75/869319375.db2.gz RJXMVXQWNMBRAR-UHFFFAOYSA-N 0 0 379.445 3.531 20 10 GHCDRN COc1cccc(CNC(=O)NCc2ccc(-c3csc(C)n3)s2)c1O ZINC000745357927 869479078 /nfs/dbraw/zinc/47/90/78/869479078.db2.gz XQGOILXDSOTBKJ-UHFFFAOYSA-N 0 0 389.502 3.894 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1ccc(C)o1 ZINC000745511568 869618955 /nfs/dbraw/zinc/61/89/55/869618955.db2.gz DDVPGIWZAXNIDF-UHFFFAOYSA-N 0 0 381.270 3.830 20 10 GHCDRN COc1ccc(O)c([C@H](C)Nc2cc(Cl)cc(C(=O)N(C)C)c2OC)c1 ZINC000793572705 882325197 /nfs/dbraw/zinc/32/51/97/882325197.db2.gz 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10 GHCDRN CCOc1cccc([C@H](C)NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000852024715 878040268 /nfs/dbraw/zinc/04/02/68/878040268.db2.gz LFJHSPPTCBTPRV-FUHWJXTLSA-N 0 0 383.492 3.733 20 10 GHCDRN C[C@@H](COc1c(F)cccc1F)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000852138262 878096657 /nfs/dbraw/zinc/09/66/57/878096657.db2.gz LSEGSQGGJOGCKG-HNNXBMFYSA-N 0 0 387.430 3.608 20 10 GHCDRN CCC(CC)c1cc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)on1 ZINC000852147958 878101726 /nfs/dbraw/zinc/10/17/26/878101726.db2.gz YMKOHQNUYCESLA-MRXNPFEDSA-N 0 0 386.496 3.665 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)NCc3cc(F)ccc3SC)C2)cc1 ZINC000852163647 878113225 /nfs/dbraw/zinc/11/32/25/878113225.db2.gz ITPWOCNDJSVYAG-MRXNPFEDSA-N 0 0 389.496 3.634 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)Cc1cccc(F)c1OC(F)F ZINC000852192776 878131712 /nfs/dbraw/zinc/13/17/12/878131712.db2.gz TYIUVWXYVIMKSD-UHFFFAOYSA-N 0 0 383.366 3.698 20 10 GHCDRN COc1cc(OC)c2ncnc(N(Cc3ccccc3O)C[C@@H]3CCCO3)c2c1 ZINC000788544971 878140162 /nfs/dbraw/zinc/14/01/62/878140162.db2.gz GMKZTPFVYBMBJZ-INIZCTEOSA-N 0 0 395.459 3.538 20 10 GHCDRN CCN(C(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O)c1ccc2[nH]ccc2c1 ZINC000788550169 878143444 /nfs/dbraw/zinc/14/34/44/878143444.db2.gz IXVVFAAQYDIITN-VMPITWQZSA-N 0 0 389.459 3.853 20 10 GHCDRN COc1ccc(N2CCCN(c3nccc(Oc4ccccc4)n3)CC2)cc1 ZINC000788532946 878163344 /nfs/dbraw/zinc/16/33/44/878163344.db2.gz XUTNSCRLMIVWOH-UHFFFAOYSA-N 0 0 376.460 3.994 20 10 GHCDRN C[NH+](C)[C@@H]1CCOc2c(NCc3cc(Cl)cc([N+](=O)[O-])c3[O-])cccc21 ZINC000788532732 878163795 /nfs/dbraw/zinc/16/37/95/878163795.db2.gz TZQOWMKWDAHPLC-OAHLLOKOSA-N 0 0 377.828 3.951 20 10 GHCDRN COc1cc(C)c(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1Cl ZINC000788596383 878194135 /nfs/dbraw/zinc/19/41/35/878194135.db2.gz KLUGHAWVANMRTG-UHFFFAOYSA-N 0 0 394.924 3.736 20 10 GHCDRN COC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-])[C@@H]1CCCO1 ZINC000788618300 878213893 /nfs/dbraw/zinc/21/38/93/878213893.db2.gz ADQZDMZMVLKLNS-HERUPUMHSA-N 0 0 378.694 3.653 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H](c4ccc(F)cc4)C3)C2)cc1 ZINC000852355109 878274627 /nfs/dbraw/zinc/27/46/27/878274627.db2.gz PCXBEYOGGCKCKL-WDSOQIARSA-N 0 0 383.467 3.658 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)NCC[C@]3(C)CC3(Cl)Cl)C2)cc1 ZINC000852371611 878282832 /nfs/dbraw/zinc/28/28/32/878282832.db2.gz ILDHWCNCURZPPZ-CXAGYDPISA-N 0 0 386.323 3.547 20 10 GHCDRN C[C@@H](c1nc(-c2cccs2)no1)N1CCN(Cc2cc(F)ccc2O)CC1 ZINC000180005019 878324999 /nfs/dbraw/zinc/32/49/99/878324999.db2.gz LLUMDARZHMHTFJ-ZDUSSCGKSA-N 0 0 388.468 3.522 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3ccc4c(c3)CCCO4)C2)cc1 ZINC000852450192 878331035 /nfs/dbraw/zinc/33/10/35/878331035.db2.gz HTPKXXYGBXXMOF-LPHOPBHVSA-N 0 0 395.503 3.659 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)NCCCc3c[nH]c4ccccc34)C2)cc1 ZINC000852454301 878334795 /nfs/dbraw/zinc/33/47/95/878334795.db2.gz OTARCLLWGYQCLL-SFHVURJKSA-N 0 0 392.503 3.687 20 10 GHCDRN COc1ccc([C@H](C)N(C)C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000852456157 878336337 /nfs/dbraw/zinc/33/63/37/878336337.db2.gz YDFVLIXWBZGGSX-WMZOPIPTSA-N 0 0 383.492 3.685 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)NCc2c(OC)cccc2OC)cc1 ZINC000852488950 878371880 /nfs/dbraw/zinc/37/18/80/878371880.db2.gz DNZVRDBZPADWNT-UHFFFAOYSA-N 0 0 385.508 3.892 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCC[C@H]2Cc2cnn(C)c2)cc1 ZINC000852593970 878447447 /nfs/dbraw/zinc/44/74/47/878447447.db2.gz PZSKCFPZFQATSN-RBBKRZOGSA-N 0 0 397.567 3.819 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2c3ccccc3CC[C@H]2C)cc1 ZINC000788950190 878459638 /nfs/dbraw/zinc/45/96/38/878459638.db2.gz DGUUPKUCFINJRH-VGSWGCGISA-N 0 0 393.531 3.589 20 10 GHCDRN CCCCCS(=O)(=O)CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000110820466 878574365 /nfs/dbraw/zinc/57/43/65/878574365.db2.gz GPEWUCVSBMGVAL-UHFFFAOYSA-N 0 0 394.581 3.677 20 10 GHCDRN C[C@@H](OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)c1ccccc1Br ZINC000789072308 878584163 /nfs/dbraw/zinc/58/41/63/878584163.db2.gz HJPBJOHHYVGVFX-MXMFLMJRSA-N 0 0 391.217 3.688 20 10 GHCDRN CCCCc1nnc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000068482292 878613564 /nfs/dbraw/zinc/61/35/64/878613564.db2.gz NGNUBPSOBPYQSD-CQSZACIVSA-N 0 0 389.525 3.600 20 10 GHCDRN COc1cccc(CNC(=O)c2ccccc2OCc2c(C)noc2C)c1O ZINC000068489280 878632125 /nfs/dbraw/zinc/63/21/25/878632125.db2.gz ROVWZILQLASZOR-UHFFFAOYSA-N 0 0 382.416 3.515 20 10 GHCDRN O=C(NCCCSc1nccs1)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000776627736 878656810 /nfs/dbraw/zinc/65/68/10/878656810.db2.gz QAAMJCDCKCMWNS-CQSZACIVSA-N 0 0 396.969 3.857 20 10 GHCDRN Cc1cc(C)c(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)c1 ZINC000180204494 878677082 /nfs/dbraw/zinc/67/70/82/878677082.db2.gz HIACGZANPFXDMM-UHFFFAOYSA-N 0 0 380.532 3.679 20 10 GHCDRN Cc1nc(-c2c[nH]c(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c2)cs1 ZINC000068529684 878683034 /nfs/dbraw/zinc/68/30/34/878683034.db2.gz MJXWIXYXPKHHJK-AWEZNQCLSA-N 0 0 396.516 3.774 20 10 GHCDRN Nc1ccc(CC(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)cc1 ZINC000238072223 878684690 /nfs/dbraw/zinc/68/46/90/878684690.db2.gz WVIVWGJNBQIVIV-OAQYLSRUSA-N 0 0 391.540 3.789 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)[C@H](C(=O)OC)c1ccsc1 ZINC000789295811 878810252 /nfs/dbraw/zinc/81/02/52/878810252.db2.gz YSQYNLNWCSHUJJ-HNNXBMFYSA-N 0 0 384.295 3.952 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@H](C3OCCO3)C2)c(C)n1-c1cccc(Cl)c1 ZINC000111080487 878819284 /nfs/dbraw/zinc/81/92/84/878819284.db2.gz HXEOVZLXWOSIEL-INIZCTEOSA-N 0 0 388.895 3.973 20 10 GHCDRN CN(C)c1ccc(CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1F ZINC000746798992 878872041 /nfs/dbraw/zinc/87/20/41/878872041.db2.gz VJQJSVSTVMCAEP-UHFFFAOYSA-N 0 0 378.451 3.885 20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)c3cc(F)c(F)cc3F)cc2F)C[C@H](C)O1 ZINC000746810291 878926905 /nfs/dbraw/zinc/92/69/05/878926905.db2.gz QJQGTZHXGOJLDQ-RYUDHWBXSA-N 0 0 396.384 3.787 20 10 GHCDRN CN(Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)Cc1ccccc1O ZINC000111235390 878959987 /nfs/dbraw/zinc/95/99/87/878959987.db2.gz HCTPMRQTPYXXBY-UHFFFAOYSA-N 0 0 397.788 3.672 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3C[C@@H]4CCCC[C@@H]43)cc2F)C[C@@H](C)O1 ZINC000853453687 879028783 /nfs/dbraw/zinc/02/87/83/879028783.db2.gz ZUAPCTUIIGHDOJ-RRIFGTCXSA-N 0 0 375.488 3.523 20 10 GHCDRN O=C(c1ccccc1)c1ccc(O)c(C[NH+]2CCC3(CCOCC3)CC2)c1[O-] ZINC000789528164 879050819 /nfs/dbraw/zinc/05/08/19/879050819.db2.gz AIORJAMMKNYJHE-UHFFFAOYSA-N 0 0 381.472 3.721 20 10 GHCDRN CN(C)c1ccc(CNC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)cc1 ZINC000111421724 879129938 /nfs/dbraw/zinc/12/99/38/879129938.db2.gz HQKSZHDSCQPVMF-KRWDZBQOSA-N 0 0 382.291 3.592 20 10 GHCDRN C[C@@H](NC(=O)C1CC(OCc2ccccc2)C1)c1ccc(N2CCOCC2)cc1 ZINC000746839408 879156244 /nfs/dbraw/zinc/15/62/44/879156244.db2.gz YJXWNGCAKTWPMN-FBHNJWQJSA-N 0 0 394.515 3.696 20 10 GHCDRN C[C@H](NC(=O)N[C@@H]1c2ccccc2C[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000111479171 879194323 /nfs/dbraw/zinc/19/43/23/879194323.db2.gz BSQFNLWJTLBWQF-JLHGSKIFSA-N 0 0 379.504 3.817 20 10 GHCDRN C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180700578 879223561 /nfs/dbraw/zinc/22/35/61/879223561.db2.gz AEOFTXDPSAIGTH-CRALRDPISA-N 0 0 381.350 3.714 20 10 GHCDRN Cc1sc([N-]S(=O)(=O)c2ccc(C[NH+](C)C)cc2)nc1-c1ccccc1 ZINC000789725886 879233632 /nfs/dbraw/zinc/23/36/32/879233632.db2.gz GCPNTFKHOKASCI-UHFFFAOYSA-N 0 0 387.530 3.981 20 10 GHCDRN C[C@H](NC(=O)C(=O)Nc1nc(CC(C)(C)C)cs1)c1ccc(N(C)C)cc1 ZINC000789744398 879259137 /nfs/dbraw/zinc/25/91/37/879259137.db2.gz PYKAKMXGRVIALK-ZDUSSCGKSA-N 0 0 388.537 3.614 20 10 GHCDRN Cc1cc(NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c2cccc(F)c2n1 ZINC000853791446 879287545 /nfs/dbraw/zinc/28/75/45/879287545.db2.gz NHWAIUFYPVARDW-UHFFFAOYSA-N 0 0 399.491 3.529 20 10 GHCDRN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000789773706 879288029 /nfs/dbraw/zinc/28/80/29/879288029.db2.gz BSLVUHYGXBWCSN-UNMCSNQZSA-N 0 0 398.478 3.541 20 10 GHCDRN COc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)c(OC(F)F)c1 ZINC000789815923 879302236 /nfs/dbraw/zinc/30/22/36/879302236.db2.gz JQGBDAPAWDMCMQ-UHFFFAOYSA-N 0 0 377.387 3.811 20 10 GHCDRN O=C(Nc1cccnc1)c1ccc(NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000789879325 879311018 /nfs/dbraw/zinc/31/10/18/879311018.db2.gz VMLSVJLBQSYVLC-UHFFFAOYSA-N 0 0 388.471 3.783 20 10 GHCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCC1Cc2ccccc2C1 ZINC000761579559 879331014 /nfs/dbraw/zinc/33/10/14/879331014.db2.gz NZFVSUCDFCSURP-UHFFFAOYSA-N 0 0 384.863 3.615 20 10 GHCDRN Cc1cc(C(=O)N2CCOCC2)ccc1NCc1c(O)ccc(Cl)c1F ZINC000789891250 879339444 /nfs/dbraw/zinc/33/94/44/879339444.db2.gz UNRHHOXSVJNCEM-UHFFFAOYSA-N 0 0 378.831 3.578 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000853863202 879341127 /nfs/dbraw/zinc/34/11/27/879341127.db2.gz NUTXONZNGMNYEV-UHFFFAOYSA-N 0 0 393.409 3.988 20 10 GHCDRN Cc1ccc(-n2cnnc2)c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000789950677 879361401 /nfs/dbraw/zinc/36/14/01/879361401.db2.gz ULJCOQMQKVNCGT-UHFFFAOYSA-N 0 0 389.503 3.838 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCC(=O)c2cccn21 ZINC000789982616 879377292 /nfs/dbraw/zinc/37/72/92/879377292.db2.gz NLBIBZBREVRFOW-OAHLLOKOSA-N 0 0 391.265 3.523 20 10 GHCDRN CN(C)c1ccc(CNC(=O)CCc2cccc(Br)c2)cc1F ZINC000746866832 879377846 /nfs/dbraw/zinc/37/78/46/879377846.db2.gz QOANPKYWOWKFRR-UHFFFAOYSA-N 0 0 379.273 3.903 20 10 GHCDRN CCN(C)c1ccc(/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)cn1 ZINC000790106363 879441462 /nfs/dbraw/zinc/44/14/62/879441462.db2.gz FDOLBDXSCIICAI-GZTJUZNOSA-N 0 0 399.541 3.948 20 10 GHCDRN O=C1/C(=C\c2ccc(-n3cncn3)c(F)c2)SC(=S)N1c1ccsc1 ZINC000790107289 879444172 /nfs/dbraw/zinc/44/41/72/879444172.db2.gz GEKXQIZSJMTEPZ-MKMNVTDBSA-N 0 0 388.474 3.874 20 10 GHCDRN C[C@H](NC(=O)NC[C@H]1CCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000111842261 879464955 /nfs/dbraw/zinc/46/49/55/879464955.db2.gz VDAAWISEANMUCD-FXAWDEMLSA-N 0 0 379.504 3.613 20 10 GHCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C[C@@]1(C)CO ZINC000854038372 879466384 /nfs/dbraw/zinc/46/63/84/879466384.db2.gz DJANKESAFGMOIV-ZOCZFRKYSA-N 0 0 393.959 3.736 20 10 GHCDRN O=C(NC[C@@H]1CCc2ccccc21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000111879843 879473641 /nfs/dbraw/zinc/47/36/41/879473641.db2.gz VJOXTFMCXGODOO-ICSRJNTNSA-N 0 0 380.488 3.813 20 10 GHCDRN CC(C)(C)c1cc(CS(=O)(=O)N(Cc2ccccc2O)C2CCCC2)no1 ZINC000790218593 879536249 /nfs/dbraw/zinc/53/62/49/879536249.db2.gz ZUWYRPOQJLJAFU-UHFFFAOYSA-N 0 0 392.521 3.952 20 10 GHCDRN CCCOc1ccccc1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000854212610 879631035 /nfs/dbraw/zinc/63/10/35/879631035.db2.gz QYWKFKWQLUKMJC-UHFFFAOYSA-N 0 0 383.492 3.758 20 10 GHCDRN CN1C(=O)/C(=C/c2cccc(Br)c2OC(F)F)SC1=S ZINC000776725602 879698346 /nfs/dbraw/zinc/69/83/46/879698346.db2.gz CZDUELVVOXKKDX-YVMONPNESA-N 0 0 380.235 3.882 20 10 GHCDRN Cc1cc(O)c(CN2CCNC(=O)[C@H]2c2ccc(OC(F)(F)F)cc2)cc1C ZINC000790463613 879726444 /nfs/dbraw/zinc/72/64/44/879726444.db2.gz SWANMWACODQWKV-GOSISDBHSA-N 0 0 394.393 3.581 20 10 GHCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1ccc(C(N)=O)cc1 ZINC000031633049 879813368 /nfs/dbraw/zinc/81/33/68/879813368.db2.gz KTTALIUCBATNEU-UHFFFAOYSA-N 0 0 395.484 3.732 20 10 GHCDRN O=C(c1cccc(O)c1O)N1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000790573182 879832382 /nfs/dbraw/zinc/83/23/82/879832382.db2.gz WCHOKDYPKVBOEA-AWEZNQCLSA-N 0 0 376.250 3.708 20 10 GHCDRN COc1ccc(N2CCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)c(OC)c1 ZINC001183419040 912504228 /nfs/dbraw/zinc/50/42/28/912504228.db2.gz GUKFPWPEFMYLGT-UHFFFAOYSA-N 0 0 391.855 3.588 20 10 GHCDRN CC(C)(O)C1CCC(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC1 ZINC000854513445 879871415 /nfs/dbraw/zinc/87/14/15/879871415.db2.gz JUPLQBMNSUDORY-UHFFFAOYSA-N 0 0 378.476 3.912 20 10 GHCDRN CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)c3cccc(O)c3O)cc2)cc1 ZINC000790626955 879893632 /nfs/dbraw/zinc/89/36/32/879893632.db2.gz LEQZICPTSCDCIS-UHFFFAOYSA-N 0 0 399.424 3.546 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cn1ccc2ccccc2c1=O ZINC000790768693 879975010 /nfs/dbraw/zinc/97/50/10/879975010.db2.gz YKKFNONGSBZABK-UHFFFAOYSA-N 0 0 377.488 3.505 20 10 GHCDRN CN1C(=O)C[C@H](C(=O)NCc2ccccc2O)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000790793538 880003125 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CC[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000806146573 884406449 /nfs/dbraw/zinc/40/64/49/884406449.db2.gz PDGXWKARVUMCJE-VXGBXAGGSA-N 0 0 385.213 3.903 20 10 GHCDRN O=C(NC1C[C@H]2CC[C@@H](C1)S2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000897703994 884414951 /nfs/dbraw/zinc/41/49/51/884414951.db2.gz TVXSMDMDBOZERA-KCBNDJSGSA-N 0 0 376.522 3.509 20 10 GHCDRN O=C(NCC1CC1)[C@H]1CCC2(C1)CC[NH+](Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142520341 884475858 /nfs/dbraw/zinc/47/58/58/884475858.db2.gz GWARQHGCRTTYIH-HNNXBMFYSA-N 0 0 378.463 3.579 20 10 GHCDRN C[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)NCCCSc1nccs1 ZINC000806275856 884530265 /nfs/dbraw/zinc/53/02/65/884530265.db2.gz XYHHJWIUHAKQJB-GFCCVEGCSA-N 0 0 397.953 3.615 20 10 GHCDRN C[C@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)NCCCSc1nccs1 ZINC000806278547 884533384 /nfs/dbraw/zinc/53/33/84/884533384.db2.gz VARWGNQLECGWJA-GFCCVEGCSA-N 0 0 397.953 3.615 20 10 GHCDRN C[NH+](C)[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-])Cc1ccccc1 ZINC000806307403 884552316 /nfs/dbraw/zinc/55/23/16/884552316.db2.gz CWBCPEIPBHTRSW-MRXNPFEDSA-N 0 0 396.318 3.671 20 10 GHCDRN Cc1cc(C(=O)COC(=O)C[C@@H](C)C(F)(F)F)c(C)n1-c1ccc(F)cn1 ZINC000860324391 884563169 /nfs/dbraw/zinc/56/31/69/884563169.db2.gz DWEWXCMCMSFWFY-SNVBAGLBSA-N 0 0 386.345 3.943 20 10 GHCDRN Cc1ccc(CO[C@@H](C)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000860346490 884582116 /nfs/dbraw/zinc/58/21/16/884582116.db2.gz BLRAHXTVVCKVBW-RXVVDRJESA-N 0 0 383.488 3.814 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000914728428 884633072 /nfs/dbraw/zinc/63/30/72/884633072.db2.gz VYAQYTPKICJSOL-IBGZPJMESA-N 0 0 379.504 3.543 20 10 GHCDRN Cc1cc(C2CCN(C(=O)c3cccc(-n4c(C)cc(C=O)c4C)c3)CC2)[nH]n1 ZINC000860567683 884809784 /nfs/dbraw/zinc/80/97/84/884809784.db2.gz NIYFCUSMEUFQEU-UHFFFAOYSA-N 0 0 390.487 3.958 20 10 GHCDRN CC(/C=C1/SC(N2CCOCC2)=NC1=O)=C/c1cccc(C(F)(F)F)c1 ZINC000806570670 884825676 /nfs/dbraw/zinc/82/56/76/884825676.db2.gz HBXWRVCUATTXTL-LURFLBPHSA-N 0 0 382.407 3.954 20 10 GHCDRN COc1ccc([C@@H](C)NC(=O)NCc2ccc3c(c2)CCCN3C)c(C)c1OC ZINC000806635752 884889535 /nfs/dbraw/zinc/88/95/35/884889535.db2.gz VBDAVRBRQACNHS-MRXNPFEDSA-N 0 0 397.519 3.955 20 10 GHCDRN CCOC(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nc1C ZINC000914840589 884902122 /nfs/dbraw/zinc/90/21/22/884902122.db2.gz NHOUOVGYRPIZAP-UHFFFAOYSA-N 0 0 383.492 3.684 20 10 GHCDRN CCn1nc(C)c(CC(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)c1C ZINC000795825149 912876177 /nfs/dbraw/zinc/87/61/77/912876177.db2.gz OTNPHGAZGXOBHO-UHFFFAOYSA-N 0 0 393.487 3.896 20 10 GHCDRN CC[C@@H](NC(=O)NCc1cc(Br)ccc1O)c1nc(C)cs1 ZINC000806740937 884927812 /nfs/dbraw/zinc/92/78/12/884927812.db2.gz DLPYXYMJYBAPPM-GFCCVEGCSA-N 0 0 384.299 3.870 20 10 GHCDRN Cc1cc(CCNC(=O)Nc2cccc3c2CNC3=O)c(C)n1-c1ccccc1 ZINC000806754234 884950803 /nfs/dbraw/zinc/95/08/03/884950803.db2.gz MQZOWNSBXUOCKH-UHFFFAOYSA-N 0 0 388.471 3.702 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000806821881 885036398 /nfs/dbraw/zinc/03/63/98/885036398.db2.gz SLNSXCKRGOKRLY-DNVJHFABSA-N 0 0 393.531 3.775 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3cc(C)n([C@@H]4CCOC4)c3C)C2)cc1 ZINC000860842454 885041945 /nfs/dbraw/zinc/04/19/45/885041945.db2.gz NTFPKIKTNBCAIG-AZUAARDMSA-N 0 0 398.503 3.758 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)[C@@H](O)Cc3ccccc3)ccc21 ZINC000495263402 885048872 /nfs/dbraw/zinc/04/88/72/885048872.db2.gz BVCAVMVHZHROEN-SBUREZEXSA-N 0 0 394.515 3.626 20 10 GHCDRN Cc1cc(=O)c(C(=O)N(Cc2ccco2)Cc2ccccc2O)cn1C1CC1 ZINC000806877781 885076998 /nfs/dbraw/zinc/07/69/98/885076998.db2.gz GUIOSXGLSSYLBN-UHFFFAOYSA-N 0 0 378.428 3.633 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@](C)(O)c2cccc(C(F)(F)F)c2)c1 ZINC000761982581 885085570 /nfs/dbraw/zinc/08/55/70/885085570.db2.gz NQNDXBXKQRXIMD-BBATYDOGSA-N 0 0 383.366 3.505 20 10 GHCDRN Cc1cc(C(=O)OCC(=O)N(C)[C@@H](C)c2ccccc2)c(C)n1-c1ccccn1 ZINC000914905234 885141696 /nfs/dbraw/zinc/14/16/96/885141696.db2.gz GTMIJFFWDIWMFR-KRWDZBQOSA-N 0 0 391.471 3.866 20 10 GHCDRN CC[C@H](OC(=O)c1cc(C)n(-c2ccccn2)c1C)C(=O)NCc1ccccc1 ZINC000914906596 885143311 /nfs/dbraw/zinc/14/33/11/885143311.db2.gz NSQUQMRIRMCEJS-FQEVSTJZSA-N 0 0 391.471 3.741 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1csc(-c2ccccc2)n1 ZINC000807005568 885157794 /nfs/dbraw/zinc/15/77/94/885157794.db2.gz BZEWUZWRANKHQA-UHFFFAOYSA-N 0 0 395.484 3.893 20 10 GHCDRN Cc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(Cl)cc1F ZINC000806986596 885170227 /nfs/dbraw/zinc/17/02/27/885170227.db2.gz IMDMWOYDFJCPTM-LBPRGKRZSA-N 0 0 377.847 3.669 20 10 GHCDRN CCCCO[C@H]1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1(C)C ZINC000762025850 885208736 /nfs/dbraw/zinc/20/87/36/885208736.db2.gz OPDURGQIADWHQN-IRXDYDNUSA-N 0 0 394.899 3.794 20 10 GHCDRN CCCCO[C@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1(C)C ZINC000762025857 885208937 /nfs/dbraw/zinc/20/89/37/885208937.db2.gz OPDURGQIADWHQN-SJORKVTESA-N 0 0 394.899 3.794 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Cc3ccc(OCC(C)C)cc3)C2)cc1 ZINC001130826974 885210181 /nfs/dbraw/zinc/21/01/81/885210181.db2.gz OZMPKGVQIJKURF-IBGZPJMESA-N 0 0 382.504 3.668 20 10 GHCDRN CCCCO[C@@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1(C)C ZINC000762025842 885228244 /nfs/dbraw/zinc/22/82/44/885228244.db2.gz OPDURGQIADWHQN-IAGOWNOFSA-N 0 0 394.899 3.794 20 10 GHCDRN CC(C)[C@@H](NC(=O)N(Cc1ccccc1O)C1CCCCC1)c1nncn1C ZINC000807433137 885421514 /nfs/dbraw/zinc/42/15/14/885421514.db2.gz ZGQLQTYEFYDYQP-LJQANCHMSA-N 0 0 385.512 3.762 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC(C)(C)C2CCOCC2)cc1 ZINC000861382596 885447820 /nfs/dbraw/zinc/44/78/20/885447820.db2.gz BAIABZGLTDMBLQ-UHFFFAOYSA-N 0 0 382.504 3.771 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)c1 ZINC000861437446 885498907 /nfs/dbraw/zinc/49/89/07/885498907.db2.gz ZPSQWYDGSDUNHC-KRWDZBQOSA-N 0 0 392.459 3.776 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)Cn3cc(Cl)cn3)cc2Cl)C1 ZINC000807478128 885503380 /nfs/dbraw/zinc/50/33/80/885503380.db2.gz ZDGHLDLTODDCDD-ZDUSSCGKSA-N 0 0 381.307 3.743 20 10 GHCDRN CC[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)(C)c1ccccc1 ZINC000807483895 885505952 /nfs/dbraw/zinc/50/59/52/885505952.db2.gz VIEQFHQBSLKGJR-OAQYLSRUSA-N 0 0 395.547 3.584 20 10 GHCDRN CCC(=O)c1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000861442254 885506001 /nfs/dbraw/zinc/50/60/01/885506001.db2.gz KHLUEGHDNVHYCO-UHFFFAOYSA-N 0 0 381.476 3.780 20 10 GHCDRN NC(=O)C1CCN(c2cccc(NC(=O)c3c(Cl)cccc3Cl)c2)CC1 ZINC000747403309 885542937 /nfs/dbraw/zinc/54/29/37/885542937.db2.gz WNDVZWFQEJZDDL-UHFFFAOYSA-N 0 0 392.286 3.947 20 10 GHCDRN CCC(CC)(CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000807666606 885595939 /nfs/dbraw/zinc/59/59/39/885595939.db2.gz KZBCLHLCJDDAFN-UHFFFAOYSA-N 0 0 395.547 3.585 20 10 GHCDRN Cc1ccccc1[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807671428 885596538 /nfs/dbraw/zinc/59/65/38/885596538.db2.gz OYYRLZJLKDRIQW-UWJYYQICSA-N 0 0 379.504 3.602 20 10 GHCDRN C[C@H](NC(=O)C(=O)N[C@@H]1c2ccccc2CCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000807670491 885597834 /nfs/dbraw/zinc/59/78/34/885597834.db2.gz FVEUFAVJVLBLTD-HOIFWPIMSA-N 0 0 393.531 3.760 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3cccc(C4CCOCC4)c3)C2)cc1 ZINC000861519810 885602350 /nfs/dbraw/zinc/60/23/50/885602350.db2.gz QXSBZSFEGVYWBF-FQEVSTJZSA-N 0 0 395.503 3.990 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000807649174 885608445 /nfs/dbraw/zinc/60/84/45/885608445.db2.gz BLDLPLFAECBFSB-HSALFYBXSA-N 0 0 385.552 3.575 20 10 GHCDRN C[C@@H](NC(=O)C(=O)N(C)[C@@H](C)c1ccccc1Cl)c1ccc(N(C)C)cc1 ZINC000807672136 885623142 /nfs/dbraw/zinc/62/31/42/885623142.db2.gz WUCYLLVWQAUBOB-CABCVRRESA-N 0 0 387.911 3.803 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1c2ccccc2CC[C@H]1C ZINC000807691626 885639528 /nfs/dbraw/zinc/63/95/28/885639528.db2.gz OVFFIIQFQCQLCY-VGOFRKELSA-N 0 0 393.531 3.541 20 10 GHCDRN O=C(Nc1cccc2nsnc21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000861593169 885673535 /nfs/dbraw/zinc/67/35/35/885673535.db2.gz AVYONOXILVHAGP-AWEZNQCLSA-N 0 0 384.461 3.610 20 10 GHCDRN CC1=C(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCC1 ZINC000747420168 885688907 /nfs/dbraw/zinc/68/89/07/885688907.db2.gz OXBRYNCUOZBGIW-LJQANCHMSA-N 0 0 387.524 3.935 20 10 GHCDRN CCCOc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1OC ZINC000861663734 885742387 /nfs/dbraw/zinc/74/23/87/885742387.db2.gz NJIZUCJGGRWYKD-UHFFFAOYSA-N 0 0 399.491 3.642 20 10 GHCDRN COC[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1 ZINC000118457141 885760351 /nfs/dbraw/zinc/76/03/51/885760351.db2.gz CGUWVMRHGQFFFJ-SFHVURJKSA-N 0 0 395.425 3.958 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc3occc3c2)cc1 ZINC000861695399 885772209 /nfs/dbraw/zinc/77/22/09/885772209.db2.gz HEEHDRDHDBLNGM-UHFFFAOYSA-N 0 0 379.460 3.876 20 10 GHCDRN CC(=O)NCC[C@@H]1CCCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000807847664 885778073 /nfs/dbraw/zinc/77/80/73/885778073.db2.gz GMBKMNSPJDHRHU-FQEVSTJZSA-N 0 0 381.520 3.781 20 10 GHCDRN Cc1cc(C)c(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2O)cn1 ZINC001184071488 912973604 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/nfs/dbraw/zinc/91/95/98/888919598.db2.gz SIGNLSDDPIZDBY-AWEZNQCLSA-N 0 0 388.899 3.581 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)NCc2cccc(NC(C)=O)c2)cc1 ZINC000916373461 888939897 /nfs/dbraw/zinc/93/98/97/888939897.db2.gz COENWKXGCIWGEM-UHFFFAOYSA-N 0 0 382.508 3.833 20 10 GHCDRN CC(=O)N1CCN(c2ccc(N[C@H]3C[C@@H](C)c4c3c(O)ccc4F)cc2)CC1 ZINC000866625904 888976080 /nfs/dbraw/zinc/97/60/80/888976080.db2.gz IMGAGJAGPUOZRS-KUHUBIRLSA-N 0 0 383.467 3.860 20 10 GHCDRN O=C(CSCc1ccc(Cl)cc1Cl)NCCc1ccc(O)c(O)c1 ZINC000154003062 889042559 /nfs/dbraw/zinc/04/25/59/889042559.db2.gz MTMSMTATYVFSLA-UHFFFAOYSA-N 0 0 386.300 3.997 20 10 GHCDRN Cc1ccc(C)c(C(=O)N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)n1 ZINC001184597734 913310933 /nfs/dbraw/zinc/31/09/33/913310933.db2.gz MNTLHKNTEQXGFN-UHFFFAOYSA-N 0 0 379.382 3.559 20 10 GHCDRN O[C@@H](COCc1ccccc1F)CN1CCCc2cc(OC(F)F)ccc21 ZINC000747668918 889117352 /nfs/dbraw/zinc/11/73/52/889117352.db2.gz KYAJJWVRMAAUAO-MRXNPFEDSA-N 0 0 381.394 3.757 20 10 GHCDRN COc1ccc(N2CCC(NC(=S)NCCCCC(F)(F)F)CC2)cc1 ZINC000794977392 889117579 /nfs/dbraw/zinc/11/75/79/889117579.db2.gz STZQDERGUHDZPI-UHFFFAOYSA-N 0 0 389.487 3.861 20 10 GHCDRN COc1ccc(N(C)CC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1F ZINC000121765834 889135599 /nfs/dbraw/zinc/13/55/99/889135599.db2.gz QWASTQKHCBQKMW-UHFFFAOYSA-N 0 0 382.819 3.580 20 10 GHCDRN COc1ccc(N2CCN(C(=O)N[C@H](c3ccccc3)C(F)(F)F)CC2)cc1 ZINC000916577198 889140368 /nfs/dbraw/zinc/14/03/68/889140368.db2.gz OZFJBVPBJLVDIP-GOSISDBHSA-N 0 0 393.409 3.830 20 10 GHCDRN COc1ccc(N(C)CC(=O)N[C@@H](c2nccs2)c2ccccc2)cc1F ZINC000121811583 889159528 /nfs/dbraw/zinc/15/95/28/889159528.db2.gz ROMQGBYOWWWDFN-LJQANCHMSA-N 0 0 385.464 3.633 20 10 GHCDRN C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H](c2ccsc2)O1 ZINC000121819993 889162734 /nfs/dbraw/zinc/16/27/34/889162734.db2.gz FOUPLXLFJNRTLN-JXFKEZNVSA-N 0 0 383.517 3.796 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Cc1c[nH]c2ncccc12 ZINC000154070366 889163351 /nfs/dbraw/zinc/16/33/51/889163351.db2.gz IUIYILIXFQTNAA-UHFFFAOYSA-N 0 0 388.265 3.622 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@H]1c1cccnc1 ZINC000916625636 889180244 /nfs/dbraw/zinc/18/02/44/889180244.db2.gz LAMSULZYBWZOQA-FQEVSTJZSA-N 0 0 382.533 3.682 20 10 GHCDRN CC[C@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 ZINC000916632552 889205781 /nfs/dbraw/zinc/20/57/81/889205781.db2.gz YTGOHHMIGJYTHD-HNNXBMFYSA-N 0 0 399.457 3.874 20 10 GHCDRN COC(=O)CCc1nnc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)s1 ZINC000121911665 889210613 /nfs/dbraw/zinc/21/06/13/889210613.db2.gz VYYKPYOTCFNDJR-UHFFFAOYSA-N 0 0 398.488 3.612 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2cn(C)cn2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000811229413 889309528 /nfs/dbraw/zinc/30/95/28/889309528.db2.gz AXZOODLYPDNSQT-UHFFFAOYSA-N 0 0 379.460 3.991 20 10 GHCDRN C[C@H](NC(=O)NCc1cccc2[nH]ccc21)c1ccc(N2CCOCC2)cc1 ZINC000868148993 889320542 /nfs/dbraw/zinc/32/05/42/889320542.db2.gz QWBQVSJOCDUXON-INIZCTEOSA-N 0 0 378.476 3.565 20 10 GHCDRN COc1ccc(N2CCN(Cc3ncc(-c4ccccc4F)o3)CC2)cc1F ZINC000122049838 889351515 /nfs/dbraw/zinc/35/15/15/889351515.db2.gz YYSARJILJUKAAH-UHFFFAOYSA-N 0 0 385.414 3.951 20 10 GHCDRN CCCn1c(C)c(C(=O)NCCc2ccc(O)c(O)c2)c2cc(OC)ccc21 ZINC000122130074 889420776 /nfs/dbraw/zinc/42/07/76/889420776.db2.gz LQBKXQXMAUGVCC-UHFFFAOYSA-N 0 0 382.460 3.752 20 10 GHCDRN Cc1cc(C(=O)NCc2ccc(CC(N)=O)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000811585188 889765842 /nfs/dbraw/zinc/76/58/42/889765842.db2.gz GJDRXFVJHNGSOS-UHFFFAOYSA-N 0 0 395.890 3.705 20 10 GHCDRN Cc1noc([C@H]2CCCN2C(=O)NCc2ccc(N3CCC(C)CC3)cc2)n1 ZINC000287528194 913390462 /nfs/dbraw/zinc/39/04/62/913390462.db2.gz VWKNZUOLBIQXNJ-LJQANCHMSA-N 0 0 383.496 3.661 20 10 GHCDRN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCc1ccc(O)c(O)c1 ZINC000811810871 889996085 /nfs/dbraw/zinc/99/60/85/889996085.db2.gz GWRFYRWHNRTHFD-UHFFFAOYSA-N 0 0 387.270 3.588 20 10 GHCDRN Cc1ccn(-c2ccccc2CNC(=O)NCc2ccc(N(C)C)cc2C)n1 ZINC000122701863 890026039 /nfs/dbraw/zinc/02/60/39/890026039.db2.gz WYSGVANVFNQSLU-UHFFFAOYSA-N 0 0 377.492 3.555 20 10 GHCDRN CC[C@]1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)OCCc2ccccc21 ZINC000811884406 890086828 /nfs/dbraw/zinc/08/68/28/890086828.db2.gz GZJFOSYGBDJFTR-XMMPIXPASA-N 0 0 391.515 3.740 20 10 GHCDRN CCN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000812006652 890193089 /nfs/dbraw/zinc/19/30/89/890193089.db2.gz XJPRGAFJOSCSGA-LJQANCHMSA-N 0 0 391.581 3.729 20 10 GHCDRN CON(C[C@@H]1CCC[C@H](C)C1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000812007343 890196447 /nfs/dbraw/zinc/19/64/47/890196447.db2.gz RQIUKNCGYQKRND-FUHWJXTLSA-N 0 0 393.503 3.562 20 10 GHCDRN CCN(C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000812015397 890205223 /nfs/dbraw/zinc/20/52/23/890205223.db2.gz PJVCZMFWKSPWJN-YLJYHZDGSA-N 0 0 389.540 3.573 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3cccc(C(F)F)c3)CC2)c(OC)c1 ZINC000870163570 890238630 /nfs/dbraw/zinc/23/86/30/890238630.db2.gz ADQMAMBVUBHAGX-UHFFFAOYSA-N 0 0 376.403 3.604 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1cccc([C@@H]2CCC(=O)N2)c1 ZINC000841762542 890266419 /nfs/dbraw/zinc/26/64/19/890266419.db2.gz XHACSLWRTWAGCM-KKSFZXQISA-N 0 0 394.519 3.765 20 10 GHCDRN COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCSCC1 ZINC000812077914 890274005 /nfs/dbraw/zinc/27/40/05/890274005.db2.gz OEQZFYUBTJXRIC-UHFFFAOYSA-N 0 0 397.548 3.552 20 10 GHCDRN CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)C3=CC(=O)CS3)CC2)C1 ZINC000812350494 890553551 /nfs/dbraw/zinc/55/35/51/890553551.db2.gz PUXACOGRWFOUSN-CQSZACIVSA-N 0 0 380.510 3.563 20 10 GHCDRN CC(=O)Nc1cccc(NC(=S)NCc2cc(Br)ccc2O)c1 ZINC000795153631 890588420 /nfs/dbraw/zinc/58/84/20/890588420.db2.gz GNJHYAJTGHWKOT-UHFFFAOYSA-N 0 0 394.294 3.600 20 10 GHCDRN Cc1ccccc1Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCOC1 ZINC000812381052 890591702 /nfs/dbraw/zinc/59/17/02/890591702.db2.gz VEDJNYKCKVQKHG-SFHVURJKSA-N 0 0 392.503 3.556 20 10 GHCDRN COc1ccc(NC(=S)NCc2cc(Br)ccc2O)cc1F ZINC000795154974 890614776 /nfs/dbraw/zinc/61/47/76/890614776.db2.gz KTLRERHEXBGZCJ-UHFFFAOYSA-N 0 0 385.258 3.789 20 10 GHCDRN COc1cccc(N(CC(=O)N2Cc3cccc(O)c3C2)C(=O)OC(C)(C)C)c1 ZINC000871205891 890693933 /nfs/dbraw/zinc/69/39/33/890693933.db2.gz NCDJJDXXCKYSPK-UHFFFAOYSA-N 0 0 398.459 3.685 20 10 GHCDRN CSc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1F ZINC000123688522 890925671 /nfs/dbraw/zinc/92/56/71/890925671.db2.gz ZHYHWTCWPAVSFP-UHFFFAOYSA-N 0 0 388.508 3.686 20 10 GHCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000888585334 890984576 /nfs/dbraw/zinc/98/45/76/890984576.db2.gz KKFZSKJTDKAESS-JQHSSLGASA-N 0 0 391.475 3.554 20 10 GHCDRN COc1ccc2c(c1)CCCN2CC(=O)NCc1ccccc1COC(C)C ZINC000917077396 890994611 /nfs/dbraw/zinc/99/46/11/890994611.db2.gz MREIGIDRISTCCZ-UHFFFAOYSA-N 0 0 382.504 3.689 20 10 GHCDRN CC(C)OCCONC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000812909794 891093874 /nfs/dbraw/zinc/09/38/74/891093874.db2.gz YGJGGVJIAAQVOU-HNNXBMFYSA-N 0 0 383.920 3.732 20 10 GHCDRN C[C@H](NC(=O)C1CCCC1)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000917095160 891154193 /nfs/dbraw/zinc/15/41/93/891154193.db2.gz DSIRIHSQAJVPPZ-KRWDZBQOSA-N 0 0 397.519 3.569 20 10 GHCDRN COc1ccc(O)c(CNC(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)c1 ZINC000812967237 891169108 /nfs/dbraw/zinc/16/91/08/891169108.db2.gz DRYKPFKBFTXTPD-UHFFFAOYSA-N 0 0 392.459 3.922 20 10 GHCDRN Fc1cc(F)cc(-c2nsc(NCc3ccc(N4CCOCC4)cc3)n2)c1 ZINC000825627396 891343629 /nfs/dbraw/zinc/34/36/29/891343629.db2.gz KLBMRGFCWJYHSW-UHFFFAOYSA-N 0 0 388.443 3.932 20 10 GHCDRN O=C(NCc1ccc(C(F)(F)F)s1)NCc1ccc(N2CCOCC2)cc1 ZINC000872849346 891356818 /nfs/dbraw/zinc/35/68/18/891356818.db2.gz TVANQYJWQNHMJE-UHFFFAOYSA-N 0 0 399.438 3.603 20 10 GHCDRN Cc1ccc(CN(Cc2cc(=O)c(O)co2)c2ccc3c(c2)OCCO3)s1 ZINC000124411620 891490074 /nfs/dbraw/zinc/49/00/74/891490074.db2.gz QMGLUZXELNSCDW-UHFFFAOYSA-N 0 0 385.441 3.693 20 10 GHCDRN O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCCCF ZINC000813312551 891507624 /nfs/dbraw/zinc/50/76/24/891507624.db2.gz BYBIZRYVHNAEGT-ACCUITESSA-N 0 0 386.539 3.595 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCCCC(=O)C3)cc2F)C[C@@H](C)O1 ZINC000813416033 891594379 /nfs/dbraw/zinc/59/43/79/891594379.db2.gz ILOJZASSUZYNKX-JFIYKMOQSA-N 0 0 390.499 3.595 20 10 GHCDRN CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000127703327 891700569 /nfs/dbraw/zinc/70/05/69/891700569.db2.gz KTVGGQYLUFMTRB-UHFFFAOYSA-N 0 0 377.444 3.880 20 10 GHCDRN COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3ncc(C)cn3)c2C)cc1 ZINC000917249463 891708373 /nfs/dbraw/zinc/70/83/73/891708373.db2.gz XJUDZIBCDVLBIV-UHFFFAOYSA-N 0 0 395.484 3.954 20 10 GHCDRN COCC(C)(C)CCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000287915955 913588585 /nfs/dbraw/zinc/58/85/85/913588585.db2.gz IJBOWTCBKCKUCR-GOSISDBHSA-N 0 0 378.513 3.536 20 10 GHCDRN CC[C@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000124653892 891800870 /nfs/dbraw/zinc/80/08/70/891800870.db2.gz KBUQDWVKISDLHP-DYESRHJHSA-N 0 0 382.508 3.772 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)C1(c2cccnc2)CCCC1 ZINC000813611022 891810911 /nfs/dbraw/zinc/81/09/11/891810911.db2.gz XVZVTWOPCCEJSH-UHFFFAOYSA-N 0 0 375.266 3.678 20 10 GHCDRN CCCc1nc(C)c(CNC(=O)NCc2ccc(N(CC)CC)c(F)c2)o1 ZINC000813634316 891826175 /nfs/dbraw/zinc/82/61/75/891826175.db2.gz IPNXSYJNSKJMFG-UHFFFAOYSA-N 0 0 376.476 3.920 20 10 GHCDRN Cc1cc(C(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(C)n1-c1ccccc1C ZINC000917394144 891889201 /nfs/dbraw/zinc/88/92/01/891889201.db2.gz SILCGHJCDIWIGF-ROUUACIJSA-N 0 0 376.456 3.536 20 10 GHCDRN CCN(CC)c1ncc(/C=C2/SC(=S)N(c3cccnc3)C2=O)s1 ZINC000917400479 891901699 /nfs/dbraw/zinc/90/16/99/891901699.db2.gz WPMOIIBGSCBMSE-MDWZMJQESA-N 0 0 376.532 3.790 20 10 GHCDRN CC(=O)N[C@H]1CCCN(C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)C1 ZINC000917382593 891905334 /nfs/dbraw/zinc/90/53/34/891905334.db2.gz DLPQOCLCDHWDER-FQEVSTJZSA-N 0 0 381.520 3.958 20 10 GHCDRN Cc1cc(C(F)(F)F)nc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000873967663 891908872 /nfs/dbraw/zinc/90/88/72/891908872.db2.gz PZDGCFZVPHXNLR-UHFFFAOYSA-N 0 0 378.398 3.675 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)c2cc(C(F)(F)F)c[nH]c2=O)C2CC2)cc1 ZINC000873967760 891909171 /nfs/dbraw/zinc/90/91/71/891909171.db2.gz UZTGXQOAJVAOHV-UHFFFAOYSA-N 0 0 379.382 3.677 20 10 GHCDRN CC(C)c1noc2ncc(C(=O)NCc3ccc(N4CCSCC4)cc3)cc21 ZINC000917387212 891910007 /nfs/dbraw/zinc/91/00/07/891910007.db2.gz WQHHQBHLCHZFLJ-UHFFFAOYSA-N 0 0 396.516 3.829 20 10 GHCDRN COc1ccccc1C(=O)N1CCN(Cc2cc(C(C)C)c(C)cc2O)CC1 ZINC000917451479 892018570 /nfs/dbraw/zinc/01/85/70/892018570.db2.gz ZCSFNFVAAYFAHQ-UHFFFAOYSA-N 0 0 382.504 3.791 20 10 GHCDRN C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1OC1CCCC1)c1ccccc1O ZINC000874192562 892029334 /nfs/dbraw/zinc/02/93/34/892029334.db2.gz NMDFIOAHVLZITK-ZDUSSCGKSA-N 0 0 386.423 3.669 20 10 GHCDRN CC(C)c1nc2ccc(NC(=O)C(=O)N[C@@H](C)c3ccccc3O)cc2s1 ZINC000874192860 892029804 /nfs/dbraw/zinc/02/98/04/892029804.db2.gz YPBVEUCXGNFTGY-LBPRGKRZSA-N 0 0 383.473 3.941 20 10 GHCDRN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3cc(C)ccc3-n3c(C)ccc3C)[C@H]2C1 ZINC000813859629 892030241 /nfs/dbraw/zinc/03/02/41/892030241.db2.gz KGOJLBCGBQPILZ-ILWGZMRPSA-N 0 0 393.531 3.779 20 10 GHCDRN CN(C)c1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000033337926 892048081 /nfs/dbraw/zinc/04/80/81/892048081.db2.gz USAHODNQAJJJIC-MFOYZWKCSA-N 0 0 384.482 3.887 20 10 GHCDRN O=C(C[C@H](n1ccnc1)C(F)(F)F)NCc1ccc(N2CCCCC2)cc1 ZINC000874240951 892048587 /nfs/dbraw/zinc/04/85/87/892048587.db2.gz DSDPFYHVNXBACX-KRWDZBQOSA-N 0 0 380.414 3.683 20 10 GHCDRN C[C@@H]([NH2+][C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000813878611 892058510 /nfs/dbraw/zinc/05/85/10/892058510.db2.gz HYKXXAGMCCIWRM-CXAGYDPISA-N 0 0 391.468 3.741 20 10 GHCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1onc2ccccc21 ZINC001137082410 892301371 /nfs/dbraw/zinc/30/13/71/892301371.db2.gz YMAQXCBJGVMJGQ-ZDUSSCGKSA-N 0 0 387.386 3.828 20 10 GHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1onc2ccccc21 ZINC001137082409 892301495 /nfs/dbraw/zinc/30/14/95/892301495.db2.gz YMAQXCBJGVMJGQ-CYBMUJFWSA-N 0 0 387.386 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GHCDRN Cc1csc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1Br ZINC000191437733 906998811 /nfs/dbraw/zinc/99/88/11/906998811.db2.gz WCTSBHZZOJQMDV-UHFFFAOYSA-N 0 0 381.295 3.924 20 10 GHCDRN CCS(=O)(=O)c1ccc(Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 ZINC001174464024 907065847 /nfs/dbraw/zinc/06/58/47/907065847.db2.gz ZCQNZDVLDJARQA-UHFFFAOYSA-N 0 0 391.448 3.999 20 10 GHCDRN C[C@@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1nc(-c2ccccc2)no1 ZINC000773425441 907286086 /nfs/dbraw/zinc/28/60/86/907286086.db2.gz USSVJJPZQKRKKM-HOTGVXAUSA-N 0 0 393.491 3.967 20 10 GHCDRN C[C@H](NC(=O)NC[C@@H]1COC2(CCCCCC2)O1)c1ccc(N(C)C)cc1 ZINC000773436053 907320381 /nfs/dbraw/zinc/32/03/81/907320381.db2.gz QGPPRHXUZAMYLJ-QFBILLFUSA-N 0 0 375.513 3.579 20 10 GHCDRN COc1ccc(C(=O)c2ccccc2Nc2ccc(N3CCOCC3)nc2)cc1 ZINC001174979535 907329415 /nfs/dbraw/zinc/32/94/15/907329415.db2.gz OJPCOPMVYPIFJI-UHFFFAOYSA-N 0 0 389.455 3.901 20 10 GHCDRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N2Cc3cccc(O)c3C2)CC1=O ZINC001175029651 907342916 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385.899 3.853 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCc1cc(Cl)ccc1Br ZINC000779538287 907518139 /nfs/dbraw/zinc/51/81/39/907518139.db2.gz XSZYHEAXLFCEGO-KXFIGUGUSA-N 0 0 396.668 3.886 20 10 GHCDRN Cc1ccc(S(=O)(=O)N(c2ccc(N)cc2)c2cccc3c[nH]nc32)cc1 ZINC001175639781 907654277 /nfs/dbraw/zinc/65/42/77/907654277.db2.gz BNMRDRNKRKVCOJ-UHFFFAOYSA-N 0 0 378.457 3.981 20 10 GHCDRN CN(C)c1ccc(CNC(=O)CN[C@@H](c2cccc(Cl)c2)C(F)F)cc1 ZINC001175662015 907678906 /nfs/dbraw/zinc/67/89/06/907678906.db2.gz VDFFOSCPNCETPP-SFHVURJKSA-N 0 0 381.854 3.618 20 10 GHCDRN C[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1cn(C)c2ccccc12 ZINC000184954194 907685370 /nfs/dbraw/zinc/68/53/70/907685370.db2.gz QVFVIUQQJRMETN-SFHVURJKSA-N 0 0 391.515 3.777 20 10 GHCDRN COc1cc(OC)cc([C@H](N[C@H](C)c2ccc(C)cc2O)c2nccn2C)c1 ZINC000184960424 907687811 /nfs/dbraw/zinc/68/78/11/907687811.db2.gz WWECEFMGBNTRMV-VFNWGFHPSA-N 0 0 381.476 3.892 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1 ZINC000192757169 907882377 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CSc1nnc(CCC[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])n1CC(C)C ZINC000187718420 908130700 /nfs/dbraw/zinc/13/07/00/908130700.db2.gz QPEJKGIVVWVBDD-LBPRGKRZSA-N 0 0 384.496 3.923 20 10 GHCDRN CCOC(=O)CN(Cc1ccc(N2CCOCC2)cc1)[C@H](C)c1ccccc1 ZINC000777441782 908201217 /nfs/dbraw/zinc/20/12/17/908201217.db2.gz YDHVYGDQVVCWRR-LJQANCHMSA-N 0 0 382.504 3.650 20 10 GHCDRN CN(/C=C/c1ccc(C(F)(F)F)cc1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001176662501 908226336 /nfs/dbraw/zinc/22/63/36/908226336.db2.gz UXAVHULQZGUQIQ-ZRDIBKRKSA-N 0 0 384.423 3.763 20 10 GHCDRN CS(=O)(=O)c1ccc(Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1F ZINC001176740706 908232698 /nfs/dbraw/zinc/23/26/98/908232698.db2.gz IZVCLRGAZJTYEM-UHFFFAOYSA-N 0 0 395.411 3.748 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccc([C@@H]4CCCOC4)cc3)CC2)cc1 ZINC000779718294 908289813 /nfs/dbraw/zinc/28/98/13/908289813.db2.gz KQDVBOCOPIYMQE-HXUWFJFHSA-N 0 0 380.488 3.552 20 10 GHCDRN CCSCc1ccc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)cc1 ZINC000189322228 908307766 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COc1ccc(N2CCCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000195700725 909033772 /nfs/dbraw/zinc/03/37/72/909033772.db2.gz NEGYIVJOOKWDJP-UHFFFAOYSA-N 0 0 396.512 3.749 20 10 GHCDRN Cc1c(C(=O)NCc2ccc3c(c2)CCCN3C)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000195740004 909039141 /nfs/dbraw/zinc/03/91/41/909039141.db2.gz UQTWSHBZQDQWED-UHFFFAOYSA-N 0 0 379.504 3.791 20 10 GHCDRN CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001178521339 909086644 /nfs/dbraw/zinc/08/66/44/909086644.db2.gz ORRCKTGVHNFBIC-HXUWFJFHSA-N 0 0 388.511 3.544 20 10 GHCDRN Cn1c(=O)ccc2ccc(NCc3cc(Br)cc(F)c3O)cc21 ZINC001178580964 909105367 /nfs/dbraw/zinc/10/53/67/909105367.db2.gz AQUFZFIBLDYGHQ-UHFFFAOYSA-N 0 0 377.213 3.758 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC001178673555 909177066 /nfs/dbraw/zinc/17/70/66/909177066.db2.gz RIHRFSTYKNNKBI-UHFFFAOYSA-N 0 0 396.516 3.569 20 10 GHCDRN CCN(C)c1ccc(CN[C@@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000773779848 909278443 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Cc1ccccc1CC1CN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000752908867 929085352 /nfs/dbraw/zinc/08/53/52/929085352.db2.gz FEWMIUXUYRKLLK-LJQANCHMSA-N 0 0 393.531 3.777 20 10 GHCDRN COC(=O)c1cc(/C=C2\SC(=S)N([C@@H]3CCc4ccccc4C3)C2=O)c[nH]1 ZINC000753139427 929225240 /nfs/dbraw/zinc/22/52/40/929225240.db2.gz UOTSGYSZAFBGQP-GESOSKEOSA-N 0 0 398.509 3.560 20 10 GHCDRN CC(C)C1(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000753347134 929311416 /nfs/dbraw/zinc/31/14/16/929311416.db2.gz BJOXTUJVOMEXOF-IYBDPMFKSA-N 0 0 377.504 3.675 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000753386680 929329071 /nfs/dbraw/zinc/32/90/71/929329071.db2.gz VJNAVNJCGOWPMY-NRFANRHFSA-N 0 0 391.512 3.571 20 10 GHCDRN CC(C)N1C(=O)C[C@@H](NC(=O)C2=CC(=O)CS2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000753467809 929360715 /nfs/dbraw/zinc/36/07/15/929360715.db2.gz PRXDMVQWZXUVRD-PBHICJAKSA-N 0 0 396.871 3.727 20 10 GHCDRN COC(=O)COc1ccc(N(C)Cc2c[nH]nc2-c2cccc(Cl)c2)cc1 ZINC000753592252 929434066 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ZINC000780993808 930665245 /nfs/dbraw/zinc/66/52/45/930665245.db2.gz QRUQLQXJUXZLLF-XASXRRJKSA-N 0 0 397.471 3.718 20 10 GHCDRN Cc1ccc(C(=O)N2Cc3cc(Br)ccc3C[C@H]2C)c(O)c1O ZINC000780998796 930666485 /nfs/dbraw/zinc/66/64/85/930666485.db2.gz AWKMADSVERHFRI-LLVKDONJSA-N 0 0 376.250 3.756 20 10 GHCDRN O=C1NCCN(Cc2cc3c(cc2O)CCC3)[C@H]1c1ccccc1C(F)(F)F ZINC000781582937 930894500 /nfs/dbraw/zinc/89/45/00/930894500.db2.gz YMHWEFFVOSLUBC-IBGZPJMESA-N 0 0 390.405 3.573 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c1 ZINC000781627226 930913215 /nfs/dbraw/zinc/91/32/15/930913215.db2.gz RUPFHPYENJALIL-CQSZACIVSA-N 0 0 382.273 3.543 20 10 GHCDRN Cc1cc(C(=O)N2CC(C(C)(C)O)C2)c(C)n1-c1cccc(Br)c1 ZINC000781867819 931004504 /nfs/dbraw/zinc/00/45/04/931004504.db2.gz UNDNZWASHNPLTG-UHFFFAOYSA-N 0 0 391.309 3.700 20 10 GHCDRN Cc1nnc([C@@H](C)OC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)s1 ZINC000781987557 931052563 /nfs/dbraw/zinc/05/25/63/931052563.db2.gz VPFKMFKYJZLSSS-SNVBAGLBSA-N 0 0 378.409 3.540 20 10 GHCDRN CC(C)c1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c2cnn(C(C)C)c2n1 ZINC000782481334 931237087 /nfs/dbraw/zinc/23/70/87/931237087.db2.gz AUJMJBMSVNRFQK-UHFFFAOYSA-N 0 0 397.431 3.587 20 10 GHCDRN C[C@@H](NC(=O)N1Cc2ccccc2OC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000782506373 931246564 /nfs/dbraw/zinc/24/65/64/931246564.db2.gz NURFOEOUSITSGA-ZWKOTPCHSA-N 0 0 395.503 3.577 20 10 GHCDRN c1cc(N2CCOCC2)ccc1CNc1nc2cc3c(cc2s1)OCCCO3 ZINC000777511314 931295774 /nfs/dbraw/zinc/29/57/74/931295774.db2.gz HCTCPINYGATYHW-UHFFFAOYSA-N 0 0 397.500 3.906 20 10 GHCDRN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000782872800 931356799 /nfs/dbraw/zinc/35/67/99/931356799.db2.gz VRJZKHYUBLUALP-VIFPVBQESA-N 0 0 385.199 3.598 20 10 GHCDRN C[C@H](Oc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cn1)c1ccccc1 ZINC000782964396 931376189 /nfs/dbraw/zinc/37/61/89/931376189.db2.gz VBOPSKAWMBFHOV-AWEZNQCLSA-N 0 0 393.395 3.673 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000783328976 931521171 /nfs/dbraw/zinc/52/11/71/931521171.db2.gz VPTPRASAFCLLJZ-BFHYXJOUSA-N 0 0 379.457 3.787 20 10 GHCDRN COCCOC(=O)CSCC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000783529569 931573026 /nfs/dbraw/zinc/57/30/26/931573026.db2.gz NRPGDPPYLARCFV-UHFFFAOYSA-N 0 0 375.490 3.508 20 10 GHCDRN O=C(COC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1ccc(O)c(O)c1 ZINC000783540821 931576693 /nfs/dbraw/zinc/57/66/93/931576693.db2.gz DHJTZHFBHAXUHK-QWHCGFSZSA-N 0 0 381.211 3.934 20 10 GHCDRN CN(C)c1ccc([C@@H](CNC(=O)C2=CCCCC2)NC(=O)OC(C)(C)C)cc1 ZINC000783650899 931607702 /nfs/dbraw/zinc/60/77/02/931607702.db2.gz QQPASJPYLCTEBG-LJQANCHMSA-N 0 0 387.524 3.935 20 10 GHCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CCC=CO1 ZINC000783706773 931624531 /nfs/dbraw/zinc/62/45/31/931624531.db2.gz ZLRUVZADGDZGTE-NSHDSACASA-N 0 0 377.076 3.700 20 10 GHCDRN CCOC[C@@H]1CCN(CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)C1 ZINC000827969566 931668838 /nfs/dbraw/zinc/66/88/38/931668838.db2.gz SSMVTVOSEPCFGV-MRXNPFEDSA-N 0 0 375.900 3.684 20 10 GHCDRN COc1cccc(CC2CCN(C(=O)NCc3ccc(N(C)C)cc3)CC2)c1 ZINC000783926037 931719199 /nfs/dbraw/zinc/71/91/99/931719199.db2.gz ZSMDTQLFETWFBZ-UHFFFAOYSA-N 0 0 381.520 3.926 20 10 GHCDRN Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc(Cl)n1 ZINC000777563343 931803682 /nfs/dbraw/zinc/80/36/82/931803682.db2.gz BMGCPWGNYFSZQC-KBPBESRZSA-N 0 0 391.874 3.726 20 10 GHCDRN Cc1ccc(OCCCC(=O)OCC(=O)c2ccc(O)c(O)c2)c(Cl)c1 ZINC000784212353 931817082 /nfs/dbraw/zinc/81/70/82/931817082.db2.gz ABJMNFPJJHPBIV-UHFFFAOYSA-N 0 0 378.808 3.645 20 10 GHCDRN COC(=O)COc1ccc(N(C)CC(=O)Nc2ccccc2C(C)(C)C)cc1 ZINC000784562542 931939403 /nfs/dbraw/zinc/93/94/03/931939403.db2.gz XGGQGJGVZWQMLD-UHFFFAOYSA-N 0 0 384.476 3.611 20 10 GHCDRN Cc1cc(C(=O)CN2CCOCC3(CCOCC3)C2)c(C)n1-c1ccc(C)cc1 ZINC000784604646 931955140 /nfs/dbraw/zinc/95/51/40/931955140.db2.gz VUFKLPWLFLEDOS-UHFFFAOYSA-N 0 0 396.531 3.714 20 10 GHCDRN COc1cc(Br)cc(CNc2ccc3c(c2)C[C@@H](OC)C3)c1O ZINC000784629840 931963382 /nfs/dbraw/zinc/96/33/82/931963382.db2.gz PGNIVVJGABMJHZ-INIZCTEOSA-N 0 0 378.266 3.889 20 10 GHCDRN Cc1cc(NCc2ccc(N3CCOCC3)cc2)ccc1-n1nnnc1C(C)C ZINC000784639933 931966140 /nfs/dbraw/zinc/96/61/40/931966140.db2.gz CITXKIZETGKWRP-UHFFFAOYSA-N 0 0 392.507 3.543 20 10 GHCDRN Cc1cc(C(=O)CN2CCC[C@H]2c2nc(C)no2)c(C)n1-c1cccc(F)c1 ZINC000796694237 932032556 /nfs/dbraw/zinc/03/25/56/932032556.db2.gz LFYPJTLHQIBKCL-IBGZPJMESA-N 0 0 382.439 3.944 20 10 GHCDRN Cc1oc(C2CC2)nc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000796741106 932050026 /nfs/dbraw/zinc/05/00/26/932050026.db2.gz HOKZUMRDJFBRJE-CQSZACIVSA-N 0 0 391.418 3.861 20 10 GHCDRN CC[C@H]([NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(F)cc1[O-] ZINC000796781735 932066036 /nfs/dbraw/zinc/06/60/36/932066036.db2.gz YJICLTWBCNCDAQ-DOTOQJQBSA-N 0 0 381.831 3.730 20 10 GHCDRN CC[C@H]([NH2+][C@@H]1CCN(Cc2cc(OC)cc(OC)c2)C1)c1ccc(F)cc1[O-] ZINC000796792896 932069881 /nfs/dbraw/zinc/06/98/81/932069881.db2.gz MRMTYDIKMIHNCY-UTKZUKDTSA-N 0 0 388.483 3.864 20 10 GHCDRN CC[C@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)c1ccc(F)cc1[O-] ZINC000796973779 932131915 /nfs/dbraw/zinc/13/19/15/932131915.db2.gz AWVSBRLMLFHBRV-HOCLYGCPSA-N 0 0 381.245 3.561 20 10 GHCDRN C[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000797114919 932188337 /nfs/dbraw/zinc/18/83/37/932188337.db2.gz WVTNNJLZBKKLIR-OTYXRUKQSA-N 0 0 387.229 3.613 20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3C[C@H]3c3ccccc3)cc2F)C[C@H](C)O1 ZINC000797432636 932282734 /nfs/dbraw/zinc/28/27/34/932282734.db2.gz LMUKRUIUTWKCJG-ZFDALGJYSA-N 0 0 397.494 3.795 20 10 GHCDRN COc1cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc(OC)c1C(C)C ZINC000797642709 932353773 /nfs/dbraw/zinc/35/37/73/932353773.db2.gz LCLCKTZBDBCIPG-ZDUSSCGKSA-N 0 0 388.464 3.991 20 10 GHCDRN COc1ccc(CNC(=O)Nc2cc(Br)c(F)cc2F)c(O)c1 ZINC000797648724 932355711 /nfs/dbraw/zinc/35/57/11/932355711.db2.gz OIWPUIGXODUSCR-UHFFFAOYSA-N 0 0 387.180 3.763 20 10 GHCDRN COC(=O)c1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1OC ZINC000797672614 932363827 /nfs/dbraw/zinc/36/38/27/932363827.db2.gz VNOLGWFXPOPTSH-UHFFFAOYSA-N 0 0 397.475 3.744 20 10 GHCDRN COc1cc(NC(=O)NCc2ccc3c(c2)CCCN3C)c(OC)c(C)c1OC ZINC000797677888 932365777 /nfs/dbraw/zinc/36/57/77/932365777.db2.gz CEVZXXDGHYNHOT-UHFFFAOYSA-N 0 0 399.491 3.725 20 10 GHCDRN C[C@@H]([NH2+]Cc1nc2c(s1)COCC2)c1cc(Br)cc(F)c1[O-] ZINC000927121601 932421367 /nfs/dbraw/zinc/42/13/67/932421367.db2.gz NTHJUHDMMCAXAK-MRVPVSSYSA-N 0 0 387.274 3.674 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)Cc3ccc([S@](C)=O)cc3)cc2)CC1 ZINC000797866673 932437550 /nfs/dbraw/zinc/43/75/50/932437550.db2.gz ZRFASNITPPXFJA-MHZLTWQESA-N 0 0 384.545 3.519 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000798056687 932512460 /nfs/dbraw/zinc/51/24/60/932512460.db2.gz ARUXPNUJZDQJQF-MXVIHJGJSA-N 0 0 381.545 3.985 20 10 GHCDRN C[C@@H](CO)NC(=O)c1ccc(NCc2cc(-c3ccccc3)ccc2O)cc1 ZINC000798084125 932523162 /nfs/dbraw/zinc/52/31/62/932523162.db2.gz SBNADFXSTDGKIZ-INIZCTEOSA-N 0 0 376.456 3.782 20 10 GHCDRN CN1CCCc2cc(CNC(=O)c3ccc(-c4noc(C(F)F)n4)cc3)ccc21 ZINC000798167191 932550909 /nfs/dbraw/zinc/55/09/09/932550909.db2.gz NMSIYEZEQVNEMN-UHFFFAOYSA-N 0 0 398.413 3.987 20 10 GHCDRN C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000798180583 932553043 /nfs/dbraw/zinc/55/30/43/932553043.db2.gz JAKDVNIXHKEZNC-LBPRGKRZSA-N 0 0 382.382 3.959 20 10 GHCDRN Cc1sc(NC(=O)c2cnnn2C)c(C(=O)OC(C)C)c1-c1ccccc1 ZINC000798374143 932619101 /nfs/dbraw/zinc/61/91/01/932619101.db2.gz FEHPYSDVROIOJG-UHFFFAOYSA-N 0 0 384.461 3.670 20 10 GHCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cccc(C4CCC4)c3)cc2)C1 ZINC000798403895 932632861 /nfs/dbraw/zinc/63/28/61/932632861.db2.gz LKVDPBZDRVLAHZ-NRFANRHFSA-N 0 0 391.515 3.586 20 10 GHCDRN COc1ccccc1CONC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000798408008 932635338 /nfs/dbraw/zinc/63/53/38/932635338.db2.gz IOGTYQSNBHTNBT-UHFFFAOYSA-N 0 0 383.492 3.863 20 10 GHCDRN CN1CCCc2cc(CNC(=O)C(C)(C)Cc3nc4ccccc4[nH]3)ccc21 ZINC000798412959 932637108 /nfs/dbraw/zinc/63/71/08/932637108.db2.gz KBPUKIBAXPQSEH-UHFFFAOYSA-N 0 0 376.504 3.830 20 10 GHCDRN C[C@@H](NC(=O)N1CCO[C@@H](c2ccc(F)cc2F)C1)c1ccc(N(C)C)cc1 ZINC000777638297 932671212 /nfs/dbraw/zinc/67/12/12/932671212.db2.gz TVHZSAKFZBOACH-JLTOFOAXSA-N 0 0 389.446 3.875 20 10 GHCDRN O=C(NCCCSc1nccs1)C1(c2cncc(Br)c2)CC1 ZINC000798964676 932843229 /nfs/dbraw/zinc/84/32/29/932843229.db2.gz PFSLYQUHCSWUJW-UHFFFAOYSA-N 0 0 398.351 3.631 20 10 GHCDRN O=S(=O)(c1cccc2nsnc21)N1CCCSc2ccc(F)cc21 ZINC000799185555 932904786 /nfs/dbraw/zinc/90/47/86/932904786.db2.gz PUKHZOPCMJELMB-UHFFFAOYSA-N 0 0 381.479 3.522 20 10 GHCDRN CCn1ncc(NC(=O)NCc2c(O)ccc3c2CCCC3)c1C(F)(F)F ZINC000799238018 932930134 /nfs/dbraw/zinc/93/01/34/932930134.db2.gz SWCJFNWVPLTKOK-UHFFFAOYSA-N 0 0 382.386 3.828 20 10 GHCDRN CCn1ncc(NC(=O)NCc2ccc3c(c2)CCCN3C)c1C(F)(F)F ZINC000799238145 932931124 /nfs/dbraw/zinc/93/11/24/932931124.db2.gz YHPQHOIRUOHWLE-UHFFFAOYSA-N 0 0 381.402 3.626 20 10 GHCDRN COc1ccc(N(Cc2cccs2)Cc2nnn(CC(F)(F)F)n2)cc1 ZINC000799306899 932946001 /nfs/dbraw/zinc/94/60/01/932946001.db2.gz ABYWYGATUWFURS-UHFFFAOYSA-N 0 0 383.399 3.512 20 10 GHCDRN CNC(=O)CS[C@@H](C)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C ZINC000799310370 932947369 /nfs/dbraw/zinc/94/73/69/932947369.db2.gz WWZHWRFRYLESOP-ZDUSSCGKSA-N 0 0 396.459 3.746 20 10 GHCDRN CC(=O)c1cc(F)cc(CN(c2ccc(CC(=O)N(C)C)cc2)C(C)C)c1O ZINC000799355183 932964542 /nfs/dbraw/zinc/96/45/42/932964542.db2.gz NRDCLMVNKSYWON-UHFFFAOYSA-N 0 0 386.467 3.780 20 10 GHCDRN C[C@@H](Nc1cccc([C@H]2CNC(=O)C2)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000777704022 933071797 /nfs/dbraw/zinc/07/17/97/933071797.db2.gz HLTLDFJBEYCURF-NVXWUHKLSA-N 0 0 399.922 3.953 20 10 GHCDRN O=C(NCCc1ccc2[nH]ccc2c1)NCc1cccc(Br)c1O ZINC000799717735 933099142 /nfs/dbraw/zinc/09/91/42/933099142.db2.gz JWCJHXNBORRMHS-UHFFFAOYSA-N 0 0 388.265 3.678 20 10 GHCDRN COc1cc(Br)cc(CN(C)Cc2cnc(C(C)C)nc2)c1O ZINC000799736723 933104669 /nfs/dbraw/zinc/10/46/69/933104669.db2.gz FLVWOHOIXPHOEY-UHFFFAOYSA-N 0 0 380.286 3.709 20 10 GHCDRN COc1ccc(O)c(CNC(=O)Nc2cc(C)n(-c3cc(C)cc(C)c3)n2)c1 ZINC000777712130 933133619 /nfs/dbraw/zinc/13/36/19/933133619.db2.gz KJIQSVHFXPWFNU-UHFFFAOYSA-N 0 0 380.448 3.833 20 10 GHCDRN Cc1cc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc(C)c1Cl ZINC000799834219 933136920 /nfs/dbraw/zinc/13/69/20/933136920.db2.gz ISWVYCFKKDDGJC-UHFFFAOYSA-N 0 0 386.879 3.796 20 10 GHCDRN Cc1cc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc(C)c1Cl ZINC000799834946 933137645 /nfs/dbraw/zinc/13/76/45/933137645.db2.gz OQNWNRZPRXDZFP-UHFFFAOYSA-N 0 0 383.879 3.588 20 10 GHCDRN O=C(NOC1CCCCC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000777717854 933148950 /nfs/dbraw/zinc/14/89/50/933148950.db2.gz RABIQAZDLSBRKH-CQSZACIVSA-N 0 0 383.439 3.820 20 10 GHCDRN CCOC(=O)Oc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000799918571 933166935 /nfs/dbraw/zinc/16/69/35/933166935.db2.gz SZDCAHXOVABFTQ-INIZCTEOSA-N 0 0 398.459 3.550 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCCC23CCOCC3)cc1F ZINC000799924909 933171619 /nfs/dbraw/zinc/17/16/19/933171619.db2.gz JKUJQTCXCVTQGF-IBGZPJMESA-N 0 0 377.504 3.820 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCO[C@@H](C)C3)cc2Cl)C1 ZINC000799965084 933192806 /nfs/dbraw/zinc/19/28/06/933192806.db2.gz UFDRJNOCCGQKFR-VYDXJSESSA-N 0 0 379.932 3.943 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)NCCOCC(F)F)cc2Cl)C1 ZINC000799981962 933200664 /nfs/dbraw/zinc/20/06/64/933200664.db2.gz ZSSGAGIYJZUQGN-ZDUSSCGKSA-N 0 0 389.874 3.657 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)N(C)CCn3cccn3)cc2Cl)C1 ZINC000799993611 933205397 /nfs/dbraw/zinc/20/53/97/933205397.db2.gz CNVMMHPHMJBQDO-INIZCTEOSA-N 0 0 389.931 3.614 20 10 GHCDRN O=C(CCNc1ccccc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC001115955715 933257687 /nfs/dbraw/zinc/25/76/87/933257687.db2.gz LHOPEHYIMLDDAL-UHFFFAOYSA-N 0 0 389.446 3.875 20 10 GHCDRN Cc1cc(Br)c(O)c(CN2CCn3c(nnc3C3CCCC3)C2)c1 ZINC001116526250 933611122 /nfs/dbraw/zinc/61/11/22/933611122.db2.gz ODQAEQOENWSJJB-UHFFFAOYSA-N 0 0 391.313 3.728 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@H](c2cnn(C)c2)c2ccccc2)cc1 ZINC001116549209 933626754 /nfs/dbraw/zinc/62/67/54/933626754.db2.gz BOOOFCYYCIBQTL-QFIPXVFZSA-N 0 0 391.519 3.855 20 10 GHCDRN COc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)c1Br ZINC001116826194 933779717 /nfs/dbraw/zinc/77/97/17/933779717.db2.gz YXWKXCCZZCBYJV-UHFFFAOYSA-N 0 0 383.198 3.692 20 10 GHCDRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1c2nonc2ccc1Cl ZINC001117546927 933953176 /nfs/dbraw/zinc/95/31/76/933953176.db2.gz CIXMZEFKXOAKNK-UHFFFAOYSA-N 0 0 399.813 3.999 20 10 GHCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CC12CCSCC2 ZINC001117752645 934006286 /nfs/dbraw/zinc/00/62/86/934006286.db2.gz MONBTTAGQLUYDQ-WMLDXEAASA-N 0 0 396.503 3.906 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@H](CC(C)(C)C(N)=O)C2)c(C)n1-c1ccc(F)cc1 ZINC001117765572 934011376 /nfs/dbraw/zinc/01/13/76/934011376.db2.gz XECSYTOLRMZSCU-QGZVFWFLSA-N 0 0 399.510 3.987 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nn1C(C)C ZINC001117796503 934029913 /nfs/dbraw/zinc/02/99/13/934029913.db2.gz AEZIIDIHVCMOIF-HNNXBMFYSA-N 0 0 392.450 3.773 20 10 GHCDRN O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)N1Cc2cccc(O)c2C1 ZINC000930953438 934313310 /nfs/dbraw/zinc/31/33/10/934313310.db2.gz ZSJVHZHCVQVFKB-UHFFFAOYSA-N 0 0 377.366 3.818 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CC[C@@]3(CCOC3=O)C2)cc1 ZINC001120853864 934525523 /nfs/dbraw/zinc/52/55/23/934525523.db2.gz NXEXFMQTHYNQAX-JOCHJYFZSA-N 0 0 392.459 3.947 20 10 GHCDRN Cn1c(C2Sc3ncccc3C2=O)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001121461251 934663145 /nfs/dbraw/zinc/66/31/45/934663145.db2.gz WDKBPIGFEXBERU-VIFPVBQESA-N 0 0 383.399 3.576 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2cc(N)ccc2s1 ZINC001122006842 934801987 /nfs/dbraw/zinc/80/19/87/934801987.db2.gz GDGMYRQHDOHULS-UHFFFAOYSA-N 0 0 381.501 3.592 20 10 GHCDRN C[C@H](NC(=O)N[C@H]1C[C@@]2(CCOC2)Oc2ccccc21)c1ccc(N(C)C)cc1 ZINC001123625108 935240486 /nfs/dbraw/zinc/24/04/86/935240486.db2.gz OBDJGFGTKRRQID-ITSWEJNFSA-N 0 0 395.503 3.796 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)cc1 ZINC001125167382 935540293 /nfs/dbraw/zinc/54/02/93/935540293.db2.gz WXWBMGLLDRHBLW-UHFFFAOYSA-N 0 0 393.447 3.557 20 10 GHCDRN Cc1ccc([C@H](Cn2ccnc2)NC(=O)c2ccc(N=NC(N)=O)cc2)c(C)c1 ZINC001137731045 935753927 /nfs/dbraw/zinc/75/39/27/935753927.db2.gz XSFMXSSOCQTHHW-IBGZPJMESA-N 0 0 390.447 3.834 20 10 GHCDRN COC(=O)[C@@H](C)CSCC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C ZINC000829197963 935778708 /nfs/dbraw/zinc/77/87/08/935778708.db2.gz YTKXGDRABKCXCQ-NSHDSACASA-N 0 0 380.897 3.868 20 10 GHCDRN CCN(CC)C(=O)CSCC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C ZINC000829352296 935799561 /nfs/dbraw/zinc/79/95/61/935799561.db2.gz CKQZVWGXDHQEOB-UHFFFAOYSA-N 0 0 393.940 3.927 20 10 GHCDRN CC(C)(C)OC(=O)NC1([C@@H]2C[N@H+](Cc3c([O-])cccc3F)C[C@H]2CF)CC1 ZINC001137833095 935813094 /nfs/dbraw/zinc/81/30/94/935813094.db2.gz SGOZFJVQSNYWRR-UKRRQHHQSA-N 0 0 382.451 3.606 20 10 GHCDRN CCOC(=O)c1cc2cc(N3CC[NH+](Cc4c([O-])cccc4F)CC3)ccc2o1 ZINC001137840295 935817675 /nfs/dbraw/zinc/81/76/75/935817675.db2.gz WIIWRXFGMMTASX-UHFFFAOYSA-N 0 0 398.434 3.776 20 10 GHCDRN COC(=O)c1cnc(S[C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)s1 ZINC000829687518 935845600 /nfs/dbraw/zinc/84/56/00/935845600.db2.gz KQSDKVYICULNNT-ZDUSSCGKSA-N 0 0 378.519 3.848 20 10 GHCDRN COC(=O)c1cnc(SCC(=O)N[C@H](c2ccc(C)cc2)C2CC2)s1 ZINC000829687391 935845652 /nfs/dbraw/zinc/84/56/52/935845652.db2.gz HTXYDQCIXGKGIV-MRXNPFEDSA-N 0 0 376.503 3.598 20 10 GHCDRN COC[C@@H](C)n1c(C)cc(C(=O)CSc2ncc(C(=O)OC)s2)c1C ZINC000829691861 935846265 /nfs/dbraw/zinc/84/62/65/935846265.db2.gz DNLJQZCWFJNQTH-LLVKDONJSA-N 0 0 382.507 3.530 20 10 GHCDRN COC(=O)c1cnc(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)s1 ZINC000829691977 935846405 /nfs/dbraw/zinc/84/64/05/935846405.db2.gz FFKPAKIIYLLVPP-LLVKDONJSA-N 0 0 394.543 3.939 20 10 GHCDRN COCCn1nc(C)c(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)c1C ZINC000829795177 935863148 /nfs/dbraw/zinc/86/31/48/935863148.db2.gz FYZJSRAGGVDUIX-UHFFFAOYSA-N 0 0 380.492 3.735 20 10 GHCDRN Cc1cc(C(=O)CSCC(=O)N(C)C)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000830056617 935894809 /nfs/dbraw/zinc/89/48/09/935894809.db2.gz GZHOUAMVMXOSRM-UHFFFAOYSA-N 0 0 396.459 3.700 20 10 GHCDRN CC(C)[C@@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C ZINC001226646575 1032061079 /nfs/dbraw/zinc/06/10/79/1032061079.db2.gz CACQHXBCCJBDNN-CRAIPNDOSA-N 0 0 377.529 3.727 20 10 GHCDRN C[C@H](NC(=O)N1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC001226647338 1032062896 /nfs/dbraw/zinc/06/28/96/1032062896.db2.gz VDNFZXBMLYSKFA-SOLBZPMBSA-N 0 0 389.540 3.823 20 10 GHCDRN CCOc1ccc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cc1[N+](=O)[O-] ZINC001460979258 1069314455 /nfs/dbraw/zinc/31/44/55/1069314455.db2.gz RGGLVWHBRZKACT-HNNXBMFYSA-N 0 0 385.464 3.729 20 10 GHCDRN O=C(C/C=C\c1ccc(Br)cc1)NCCc1ccc(O)c(O)c1 ZINC001545669240 1014710122 /nfs/dbraw/zinc/71/01/22/1014710122.db2.gz QKEAHQWFAIJFGI-UPHRSURJSA-N 0 0 376.250 3.623 20 10 GHCDRN CCCc1nc(C)c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)o1 ZINC000814679685 1014945500 /nfs/dbraw/zinc/94/55/00/1014945500.db2.gz KMXLRPCUKDXUAL-IBGZPJMESA-N 0 0 385.508 3.823 20 10 GHCDRN COc1cccc(CNC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)c1O ZINC001545684418 1014990843 /nfs/dbraw/zinc/99/08/43/1014990843.db2.gz WINSMHVNJQCTBJ-UHFFFAOYSA-N 0 0 378.428 3.551 20 10 GHCDRN COc1cccc(CNC(=O)Cc2ccc(Br)cc2Cl)c1O ZINC001545684505 1014990914 /nfs/dbraw/zinc/99/09/14/1014990914.db2.gz ZFIGBQMTNYTODS-UHFFFAOYSA-N 0 0 384.657 3.676 20 10 GHCDRN C[C@@H](NC1(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)CCOCC1)c1ccccc1 ZINC001593210189 994244260 /nfs/dbraw/zinc/24/42/60/994244260.db2.gz NIOVNIMUCWODJR-IAGOWNOFSA-N 0 0 398.503 3.641 20 10 GHCDRN C[C@@H]([NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1)c1cc(C(=O)[O-])ccc1O ZINC001593218847 994292407 /nfs/dbraw/zinc/29/24/07/994292407.db2.gz IGRDMEDSMDLCAM-VCANKDNSSA-N 0 0 386.414 3.546 20 10 GHCDRN COC(=O)C1(CCCC[NH2+]Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])CCC1 ZINC001598717939 995437717 /nfs/dbraw/zinc/43/77/17/995437717.db2.gz KIHSDRWJRQIHTR-UHFFFAOYSA-N 0 0 390.455 3.619 20 10 GHCDRN CCOCCONC(=O)c1cc(C)n(-c2ccccc2Br)c1C ZINC001154653428 1032226712 /nfs/dbraw/zinc/22/67/12/1032226712.db2.gz BBEYNIHNUDIVAD-UHFFFAOYSA-N 0 0 381.270 3.555 20 10 GHCDRN C[C@H](NC(=O)[C@@H](CC1CC1)NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC001154668037 1032228969 /nfs/dbraw/zinc/22/89/69/1032228969.db2.gz BPCLNLFMXWALSN-KBXCAEBGSA-N 0 0 375.513 3.623 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCC(C)(C)C3)cc2F)C[C@H](C)O1 ZINC001221183638 1032320627 /nfs/dbraw/zinc/32/06/27/1032320627.db2.gz KGGYJERSQGLXMY-HLLBOEOZSA-N 0 0 377.504 3.817 20 10 GHCDRN CC[C@@H]1C(=O)N(CC)CCN1C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001154900911 1032335013 /nfs/dbraw/zinc/33/50/13/1032335013.db2.gz LDONYQXSPGPPDT-LJQANCHMSA-N 0 0 387.911 3.830 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@H](COC)c2ccc(F)cc2)cc1F ZINC001227274164 1032350813 /nfs/dbraw/zinc/35/08/13/1032350813.db2.gz UOIWIKGDDSGVLK-LJQANCHMSA-N 0 0 391.462 3.998 20 10 GHCDRN N=c1ccc(N=Nc2ccccc2)c(N)n1C(=O)c1c[nH]c2cc(=O)ccc-2c1 ZINC001155156388 1032437846 /nfs/dbraw/zinc/43/78/46/1032437846.db2.gz CJAMISABYPUWAD-OPMSBBQGSA-N 0 0 384.399 3.907 20 10 GHCDRN Cc1ccc(CNC(=O)NCc2ccc(N(C)C)c(F)c2)cc1Br ZINC001221545485 1032457016 /nfs/dbraw/zinc/45/70/16/1032457016.db2.gz KMIQEVDGYUYVOQ-UHFFFAOYSA-N 0 0 394.288 3.962 20 10 GHCDRN CNc1ccc(C(F)(F)F)cc1NC(=O)c1cc2cc(O)c(O)cc2oc1=O ZINC001155228374 1032464261 /nfs/dbraw/zinc/46/42/61/1032464261.db2.gz NACMLSUODGSZMA-UHFFFAOYSA-N 0 0 394.305 3.517 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)[C@H](O)c2ccc(C)cc2)cc1F ZINC001221878710 1032560746 /nfs/dbraw/zinc/56/07/46/1032560746.db2.gz DPZFMDGDIPJWRG-KKSFZXQISA-N 0 0 387.499 3.902 20 10 GHCDRN COc1ccc(CNC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)c(O)c1 ZINC001155575510 1032584962 /nfs/dbraw/zinc/58/49/62/1032584962.db2.gz WUOUQTRXNKUHIA-UHFFFAOYSA-N 0 0 392.242 3.823 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)Nc3cnc4c(c3)COCC4)cc2)CC1 ZINC000777733387 1017588407 /nfs/dbraw/zinc/58/84/07/1017588407.db2.gz GUJXXPZSHYAPEL-UHFFFAOYSA-N 0 0 380.492 3.712 20 10 GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc2cc(C)ccc2o1 ZINC000777827177 1017737356 /nfs/dbraw/zinc/73/73/56/1017737356.db2.gz XHSBNVJKZAFIJQ-UHFFFAOYSA-N 0 0 387.819 3.916 20 10 GHCDRN CCCn1ncc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1C1CC1 ZINC000931602073 1018012797 /nfs/dbraw/zinc/01/27/97/1018012797.db2.gz AYINTFHAUNDRGS-HXUWFJFHSA-N 0 0 398.555 3.661 20 10 GHCDRN CCCC[C@H]1CN(Cc2cc(O)c(O)c(OC)c2)CCN1C(=O)OC(C)(C)C ZINC001204348639 1032786271 /nfs/dbraw/zinc/78/62/71/1032786271.db2.gz GISDIAQMSNFUCY-INIZCTEOSA-N 0 0 394.512 3.718 20 10 GHCDRN C[C@@H](Oc1cc(O)cc2c1C(=O)C[C@H](c1ccc(O)c(O)c1)O2)C(F)(F)F ZINC001228195823 1032834988 /nfs/dbraw/zinc/83/49/88/1032834988.db2.gz WNTLJQJPDXLXSA-XLKFXECMSA-N 0 0 384.306 3.840 20 10 GHCDRN Cc1cc(C(=O)NC[C@@H](C[C@@H](C)O)c2ccccc2)c(C)n1-c1ccccn1 ZINC000160024253 1020409158 /nfs/dbraw/zinc/40/91/58/1020409158.db2.gz MDVHNONQXQXCDO-YLJYHZDGSA-N 0 0 377.488 3.774 20 10 GHCDRN Nc1ccc(N(Cc2ccccc2)C(=O)c2cc3n(n2)CC2(CCC2)CO3)cc1 ZINC001156171314 1032912220 /nfs/dbraw/zinc/91/22/20/1032912220.db2.gz XWMWSZGVXIVSQE-UHFFFAOYSA-N 0 0 388.471 3.875 20 10 GHCDRN CC(C)(C)OC(=O)c1ccnc(NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000779428134 1020761040 /nfs/dbraw/zinc/76/10/40/1020761040.db2.gz GDSSPJIOCQOELE-UHFFFAOYSA-N 0 0 397.519 3.858 20 10 GHCDRN COC(=O)C=Cc1ccc(N2CCC[C@@H]2CC(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000779429668 1020769035 /nfs/dbraw/zinc/76/90/35/1020769035.db2.gz VTRGOEMIXRLIFH-SOIVGHGOSA-N 0 0 384.388 3.616 20 10 GHCDRN CCOC1CC(CC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000191910760 1020830046 /nfs/dbraw/zinc/83/00/46/1020830046.db2.gz KCIBRCVPGQJRDH-SWKXRBFHSA-N 0 0 382.451 3.578 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCCc1ccc(Br)cc1F ZINC000779485552 1020831015 /nfs/dbraw/zinc/83/10/15/1020831015.db2.gz OQYYXXVEMWDKCA-XBXARRHUSA-N 0 0 394.240 3.762 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3ncc(C(C)C)s3)CC2)cc1F ZINC000192399264 1020872701 /nfs/dbraw/zinc/87/27/01/1020872701.db2.gz NMEYWCFGOLZLQG-UHFFFAOYSA-N 0 0 378.473 3.768 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cc(C(F)(F)F)ccn1 ZINC000192426158 1020875772 /nfs/dbraw/zinc/87/57/72/1020875772.db2.gz RURNFGLDGBCERI-UHFFFAOYSA-N 0 0 396.438 3.975 20 10 GHCDRN COc1ccc(OC(C)(C)C(=O)NCc2cccc(Br)c2O)cc1 ZINC000834476506 1021214635 /nfs/dbraw/zinc/21/46/35/1021214635.db2.gz ZZCFGYGHJNWCQT-UHFFFAOYSA-N 0 0 394.265 3.637 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H](C)Cc1ccco1 ZINC000834509495 1021235391 /nfs/dbraw/zinc/23/53/91/1021235391.db2.gz BCVJASRRKFERDY-MRXNPFEDSA-N 0 0 386.492 3.847 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)C(=O)c1ccc(C)cc1 ZINC000834514163 1021236127 /nfs/dbraw/zinc/23/61/27/1021236127.db2.gz JWUMVJZQRYIACR-UHFFFAOYSA-N 0 0 396.487 3.566 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(F)ccc1O ZINC000834514974 1021237609 /nfs/dbraw/zinc/23/76/09/1021237609.db2.gz YCTQRBCVCUVKDW-UHFFFAOYSA-N 0 0 388.439 3.534 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H]1CCC[C@@H](OC)C1 ZINC000834518299 1021239684 /nfs/dbraw/zinc/23/96/84/1021239684.db2.gz JFAUFQKYHATKPH-QFBILLFUSA-N 0 0 390.524 3.580 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H]1Cc2ccc(F)cc21 ZINC000834517948 1021240909 /nfs/dbraw/zinc/24/09/09/1021240909.db2.gz DSTUQLINHZISBR-FQEVSTJZSA-N 0 0 398.478 3.854 20 10 GHCDRN CCOC(=O)COc1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000800561379 1021319111 /nfs/dbraw/zinc/31/91/11/1021319111.db2.gz YBWKEXICWKSLPX-UHFFFAOYSA-N 0 0 397.475 3.550 20 10 GHCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1CCc2nncn2CC1 ZINC000901329869 1021391724 /nfs/dbraw/zinc/39/17/24/1021391724.db2.gz NCKFILKXDIHJDA-MJGOQNOKSA-N 0 0 390.487 3.726 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(-n2cnnn2)c(C)c1 ZINC000801612263 1021420668 /nfs/dbraw/zinc/42/06/68/1021420668.db2.gz HQWGHDCLGPYPIV-UHFFFAOYSA-N 0 0 380.452 3.511 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NCC[C@@H]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000801782056 1021441365 /nfs/dbraw/zinc/44/13/65/1021441365.db2.gz OSGMVTVLXYRCDD-REPLKXPHSA-N 0 0 389.540 3.511 20 10 GHCDRN CCOC[C@@H]1CN(Cc2c(O)cccc2Cl)Cc2cnn(CC3CC3)c21 ZINC001140339646 1021446885 /nfs/dbraw/zinc/44/68/85/1021446885.db2.gz KIFHNKHFUQDGIY-INIZCTEOSA-N 0 0 375.900 3.788 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(-c2nc(C3(S(C)(=O)=O)CCCC3)no2)cc1 ZINC000834760271 1021449332 /nfs/dbraw/zinc/44/93/32/1021449332.db2.gz HMICOHORINNYQC-UHFFFAOYSA-N 0 0 385.489 3.958 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CC(c2ccc(OC)cc2)=NO1 ZINC000802362188 1021500616 /nfs/dbraw/zinc/50/06/16/1021500616.db2.gz AKJKXQRVHJCJMP-LJQANCHMSA-N 0 0 397.475 3.516 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CC(c3ccc(C)c(C)c3)=NO2)c1 ZINC000802372310 1021502115 /nfs/dbraw/zinc/50/21/15/1021502115.db2.gz CDTGJLNSWUUNBO-QAPCUYQASA-N 0 0 397.475 3.571 20 10 GHCDRN COCCn1c(CC2CC2)nnc1N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000802469846 1021506116 /nfs/dbraw/zinc/50/61/16/1021506116.db2.gz RNARJAFJJQMKJY-UHFFFAOYSA-N 0 0 383.540 3.504 20 10 GHCDRN CCc1nc2cc(CNC(=O)N(C)Cc3ccccc3O)ccc2n1C1CC1 ZINC000802503192 1021507327 /nfs/dbraw/zinc/50/73/27/1021507327.db2.gz YBQYOVSIYACJCB-UHFFFAOYSA-N 0 0 378.476 3.981 20 10 GHCDRN CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000834880640 1021603346 /nfs/dbraw/zinc/60/33/46/1021603346.db2.gz LZJWUODJKUYWJT-PKFCDNJMSA-N 0 0 378.694 3.510 20 10 GHCDRN COc1cc(OC)c(C[C@@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c(OC)c1 ZINC000834881487 1021606468 /nfs/dbraw/zinc/60/64/68/1021606468.db2.gz QPSPIYXLFNMCAK-NEPJUHHUSA-N 0 0 381.419 3.978 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCCNC(=O)c2cccs2)cc1 ZINC000748659129 1021706857 /nfs/dbraw/zinc/70/68/57/1021706857.db2.gz ZKFGUYNGMSGHGS-UHFFFAOYSA-N 0 0 381.501 3.706 20 10 GHCDRN Cc1cc(C(=O)CN2CCC(O[C@@H]3CCOC3)CC2)c(C)n1-c1cccc(C)c1 ZINC000748832226 1021725369 /nfs/dbraw/zinc/72/53/69/1021725369.db2.gz FIZOJEGBUAYEJV-JOCHJYFZSA-N 0 0 396.531 3.855 20 10 GHCDRN Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2ccc(Cl)cc2O)n1 ZINC001140466400 1021760215 /nfs/dbraw/zinc/76/02/15/1021760215.db2.gz DDHZZCXKVMPYCV-CEWLAPEOSA-N 0 0 388.895 3.698 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc([C@]2(C)CCCO2)n1Cc1cccs1 ZINC000835003696 1021761850 /nfs/dbraw/zinc/76/18/50/1021761850.db2.gz YOCODGYDHOAJHD-FQEVSTJZSA-N 0 0 384.505 3.756 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)c1cccn2c1nnc2C1CC1 ZINC001156376507 1033007217 /nfs/dbraw/zinc/00/72/17/1033007217.db2.gz QPNDDTQRWKUUEZ-IBGZPJMESA-N 0 0 390.487 3.983 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(c2ccc(CN3CC(F)(C4CC4)C3)cc2)CC1 ZINC001140475072 1021769998 /nfs/dbraw/zinc/76/99/98/1021769998.db2.gz SRMXVGKLSZKXQV-UHFFFAOYSA-N 0 0 389.515 3.678 20 10 GHCDRN Cc1ccc(C(=O)NC[C@H](OCC2CC2)c2ccc(Cl)cc2)c(O)c1O ZINC001140501022 1021876012 /nfs/dbraw/zinc/87/60/12/1021876012.db2.gz XDSRWNZKJQECMI-KRWDZBQOSA-N 0 0 375.852 3.957 20 10 GHCDRN O=C(c1ccc(Cl)cc1)N1CCCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140584606 1022008570 /nfs/dbraw/zinc/00/85/70/1022008570.db2.gz YMZIFDDKKJHXKC-UHFFFAOYSA-N 0 0 380.822 3.672 20 10 GHCDRN Cc1ccc(O)c(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)c1 ZINC001140623805 1022098607 /nfs/dbraw/zinc/09/86/07/1022098607.db2.gz SGOKHQDYECPLHE-LSDHHAIUSA-N 0 0 388.430 3.978 20 10 GHCDRN Fc1cc(N2CCOCC2)ccc1CN1CCN(c2ccccc2Cl)CC1 ZINC001140663505 1022203994 /nfs/dbraw/zinc/20/39/94/1022203994.db2.gz HGTDHCXQXLJUQU-UHFFFAOYSA-N 0 0 389.902 3.638 20 10 GHCDRN Fc1cc(N2CCOCC2)ccc1CN1CCn2cc(-c3ccccc3)nc2C1 ZINC001140664244 1022207507 /nfs/dbraw/zinc/20/75/07/1022207507.db2.gz DSTWTRFROGVDPH-UHFFFAOYSA-N 0 0 392.478 3.542 20 10 GHCDRN Fc1cc(N2CCOCC2)ccc1CN1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001140664699 1022208650 /nfs/dbraw/zinc/20/86/50/1022208650.db2.gz PLQKWJULOOVSRE-NRFANRHFSA-N 0 0 390.886 3.889 20 10 GHCDRN O=S1(=O)CCN(Cc2cc3oc4ccccc4c3cc2O)[C@@H]2CCCC[C@H]21 ZINC000754011620 1022421447 /nfs/dbraw/zinc/42/14/47/1022421447.db2.gz KPHCPRJRERQNRV-DYESRHJHSA-N 0 0 385.485 3.833 20 10 GHCDRN CCc1cc(CN2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)c(O)c(C(C)(C)C)c1 ZINC000754017754 1022427000 /nfs/dbraw/zinc/42/70/00/1022427000.db2.gz UAEPMNKCGBBRLZ-RTBURBONSA-N 0 0 379.566 3.794 20 10 GHCDRN Cc1c(O)ccc(CN2CC(F)(F)CC[C@@H]2CNC(=O)OC(C)(C)C)c1O ZINC001140751082 1022430797 /nfs/dbraw/zinc/43/07/97/1022430797.db2.gz IOUFTZVADDGWSR-CQSZACIVSA-N 0 0 386.439 3.531 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)CCCCN1C(=O)c2ccccc2C1=O ZINC000754205736 1022535422 /nfs/dbraw/zinc/53/54/22/1022535422.db2.gz DUCDHLAQSPINKM-UHFFFAOYSA-N 0 0 394.471 3.597 20 10 GHCDRN CCOC[C@H]1C[N@H+](Cc2ccc(N(CC)CC)cc2O)Cc2c1cnn2CC ZINC001140853075 1022702937 /nfs/dbraw/zinc/70/29/37/1022702937.db2.gz LIYKFGVFKFQSQH-GOSISDBHSA-N 0 0 386.540 3.591 20 10 GHCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(-n2cccc2)nc1 ZINC000754551527 1022764623 /nfs/dbraw/zinc/76/46/23/1022764623.db2.gz WYCZXKGTXPOZBM-UHFFFAOYSA-N 0 0 393.402 3.900 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NC[C@H]2Cc3ccccc3O2)ccc1C ZINC001140876006 1022767869 /nfs/dbraw/zinc/76/78/69/1022767869.db2.gz LBKHQBGVTWMEBK-OAQYLSRUSA-N 0 0 388.467 3.949 20 10 GHCDRN Cc1cc(C)c(O)c(CN2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1 ZINC000754726201 1022860412 /nfs/dbraw/zinc/86/04/12/1022860412.db2.gz GZTKGZLKMGOXGF-UHFFFAOYSA-N 0 0 376.859 3.760 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000836319429 1022868675 /nfs/dbraw/zinc/86/86/75/1022868675.db2.gz ADSUXYYYVDPKEJ-RTWAWAEBSA-N 0 0 381.520 3.554 20 10 GHCDRN CN(C)c1ccc(CN2CC[C@@H](n3cc(Br)cn3)C2)c(Cl)c1 ZINC001140926473 1022903208 /nfs/dbraw/zinc/90/32/08/1022903208.db2.gz MFWXHRSGWADQEW-OAHLLOKOSA-N 0 0 383.721 3.812 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)[C@@](C)(O)c2cccc(C(F)(F)F)c2)cc1 ZINC000754834732 1022922304 /nfs/dbraw/zinc/92/23/04/1022922304.db2.gz FHFDMVRNYFGTND-IBGZPJMESA-N 0 0 380.410 3.638 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2cc(C)nc(C)n2)c(C)n1-c1ccc(F)cc1 ZINC000755166054 1023106029 /nfs/dbraw/zinc/10/60/29/1023106029.db2.gz BHCDMUHXBBLDCC-UHFFFAOYSA-N 0 0 381.407 3.680 20 10 GHCDRN CC(C)C[C@@H](C)OCCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000755201015 1023121145 /nfs/dbraw/zinc/12/11/45/1023121145.db2.gz QIHNLYBRAPPNCD-KURKYZTESA-N 0 0 394.531 3.897 20 10 GHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cccc3[nH]c(=O)oc32)cc1 ZINC000755374724 1023220215 /nfs/dbraw/zinc/22/02/15/1023220215.db2.gz KMCALPVHLNVJJF-UHFFFAOYSA-N 0 0 393.365 3.804 20 10 GHCDRN C[C@H](NC(=O)N[C@@H](c1ccccc1)C(F)F)c1ccc(N2CCOCC2)cc1 ZINC000836668197 1023231993 /nfs/dbraw/zinc/23/19/93/1023231993.db2.gz LKMXFSDDRZHKCM-KXBFYZLASA-N 0 0 389.446 3.890 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Nc3cc(OC)c(C)c(OC)c3)CC2)cc1 ZINC000836669036 1023232099 /nfs/dbraw/zinc/23/20/99/1023232099.db2.gz OKHUQXYZXIRXRN-UHFFFAOYSA-N 0 0 399.491 3.765 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)N[C@H](c3ccccc3)C(F)F)CC2)cc1 ZINC000836667763 1023232240 /nfs/dbraw/zinc/23/22/40/1023232240.db2.gz JTBGCAHBEREONO-LJQANCHMSA-N 0 0 389.446 3.923 20 10 GHCDRN CC(=O)N(c1ccc(NC(=O)NCc2ccc(N(C)C)cc2)cc1)[C@H]1C[C@@H]1C ZINC000836705937 1023280536 /nfs/dbraw/zinc/28/05/36/1023280536.db2.gz XEWMWVDWCUITKQ-BTYIYWSLSA-N 0 0 380.492 3.836 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(F)c(OC)c(F)c2OC)c1 ZINC000836737369 1023324703 /nfs/dbraw/zinc/32/47/03/1023324703.db2.gz OONWBHVDPIRPFS-VIFPVBQESA-N 0 0 382.363 3.579 20 10 GHCDRN COc1ccc(O)c(CNC(=O)Nc2ccc3c(c2)CN(CC(F)(F)F)C3)c1 ZINC000836777840 1023360395 /nfs/dbraw/zinc/36/03/95/1023360395.db2.gz QWQILHWEZMZRCD-UHFFFAOYSA-N 0 0 395.381 3.600 20 10 GHCDRN COC(=O)c1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)c(C)c1 ZINC000755983547 1023465040 /nfs/dbraw/zinc/46/50/40/1023465040.db2.gz FZTMZAAOEHPBSC-UHFFFAOYSA-N 0 0 377.462 3.720 20 10 GHCDRN C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cc(Br)c(F)cc1[O-] ZINC000756394809 1023626538 /nfs/dbraw/zinc/62/65/38/1023626538.db2.gz ZGFVUTNJJBGRLE-LLVKDONJSA-N 0 0 391.244 3.725 20 10 GHCDRN Cc1ccc([C@@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])N2CCOCC2)cc1 ZINC000756434167 1023646939 /nfs/dbraw/zinc/64/69/39/1023646939.db2.gz IYDJTVIVEHWNSR-FOIQADDNSA-N 0 0 376.447 3.703 20 10 GHCDRN C[C@@H]([NH2+]CCNC(=O)c1ccccc1F)c1cc(Br)c(F)cc1[O-] ZINC000756456929 1023660427 /nfs/dbraw/zinc/66/04/27/1023660427.db2.gz GMKUWEKXAUXJQO-SNVBAGLBSA-N 0 0 399.235 3.514 20 10 GHCDRN C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1cc(Br)cc(F)c1[O-] ZINC000756455462 1023660901 /nfs/dbraw/zinc/66/09/01/1023660901.db2.gz DAJGDULGFAWWMW-GXTWGEPZSA-N 0 0 382.273 3.796 20 10 GHCDRN C[C@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756457852 1023662078 /nfs/dbraw/zinc/66/20/78/1023662078.db2.gz RSUXNYIRVPVYIX-VIFPVBQESA-N 0 0 395.209 3.642 20 10 GHCDRN C[C@@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756471695 1023672444 /nfs/dbraw/zinc/67/24/44/1023672444.db2.gz WJMIKAQXJCVOBT-CYBMUJFWSA-N 0 0 381.388 3.997 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC(=O)Nc2cccc(Cl)c2C)c1 ZINC000756526908 1023698210 /nfs/dbraw/zinc/69/82/10/1023698210.db2.gz OSGRFSVGUSEHCX-ZDUSSCGKSA-N 0 0 390.867 3.820 20 10 GHCDRN C[C@@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756528014 1023699055 /nfs/dbraw/zinc/69/90/55/1023699055.db2.gz TXTRMMXPJIXEBO-CYBMUJFWSA-N 0 0 379.457 3.598 20 10 GHCDRN C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756528573 1023700089 /nfs/dbraw/zinc/70/00/89/1023700089.db2.gz URFXYQWIGJBYTG-KBPBESRZSA-N 0 0 379.457 3.598 20 10 GHCDRN C[C@@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756596356 1023727810 /nfs/dbraw/zinc/72/78/10/1023727810.db2.gz ZMDFEDBRZSLSSZ-OAHLLOKOSA-N 0 0 383.448 3.503 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccc(F)cc1[O-] ZINC000756606078 1023734573 /nfs/dbraw/zinc/73/45/73/1023734573.db2.gz ATTPYOXCDWERJQ-SJCJKPOMSA-N 0 0 394.393 3.979 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](Cc2nccn2C)c2ccccc2)c1 ZINC000756622832 1023741166 /nfs/dbraw/zinc/74/11/66/1023741166.db2.gz ZJMJVBAZFPSVOY-HNAYVOBHSA-N 0 0 379.460 3.547 20 10 GHCDRN C[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1cc(Br)cc(F)c1[O-] ZINC000756637858 1023748604 /nfs/dbraw/zinc/74/86/04/1023748604.db2.gz JUZTUVQHNIRFMH-NSHDSACASA-N 0 0 387.293 3.736 20 10 GHCDRN CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000756656363 1023757408 /nfs/dbraw/zinc/75/74/08/1023757408.db2.gz WJRABKBVUMUQOX-BUVFEPMLSA-N 0 0 399.491 3.631 20 10 GHCDRN C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc(F)cc1[O-] ZINC000756769075 1023807794 /nfs/dbraw/zinc/80/77/94/1023807794.db2.gz JGPYUNQAWIWRKA-AXXDXXKNSA-N 0 0 380.822 3.946 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1cc(F)cc(F)c1[O-] ZINC000756779340 1023812236 /nfs/dbraw/zinc/81/22/36/1023812236.db2.gz JHUSXQJACLETMX-FEMPBKKVSA-N 0 0 380.822 3.946 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000756782329 1023813060 /nfs/dbraw/zinc/81/30/60/1023813060.db2.gz AHVBKIBJSVPJNS-ZBEGNZNMSA-N 0 0 383.366 3.582 20 10 GHCDRN Cc1cc(C(=O)NCCCO[C@@H]2CCOC2)c(C)n1-c1ccc(Cl)cc1 ZINC000756988869 1023900115 /nfs/dbraw/zinc/90/01/15/1023900115.db2.gz GRPCFFPYMFGILJ-GOSISDBHSA-N 0 0 376.884 3.673 20 10 GHCDRN COC[C@@]1(C)CCN(CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)C1 ZINC000830529929 1023969688 /nfs/dbraw/zinc/96/96/88/1023969688.db2.gz RSDAJUBUCJPXON-FQEVSTJZSA-N 0 0 375.900 3.684 20 10 GHCDRN COc1ccc(OCc2nnc(N(C)Cc3ccccc3O)n2CC2CC2)cc1 ZINC000830577072 1023995681 /nfs/dbraw/zinc/99/56/81/1023995681.db2.gz OPEZGYHGILPOAY-UHFFFAOYSA-N 0 0 394.475 3.618 20 10 GHCDRN CC(C)CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cccc(Cl)c1 ZINC000837087426 1024006657 /nfs/dbraw/zinc/00/66/57/1024006657.db2.gz CDYSTKYFMKUSDK-UHFFFAOYSA-N 0 0 396.896 3.720 20 10 GHCDRN O=C1N(CC2CC2)c2ccccc2C12CC[NH+](Cc1cccc(F)c1[O-])CC2 ZINC001138125697 1024169277 /nfs/dbraw/zinc/16/92/77/1024169277.db2.gz VOWBSLVSTCCZHX-UHFFFAOYSA-N 0 0 380.463 3.822 20 10 GHCDRN CCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1cccc(F)c1[O-])CC2 ZINC001138126880 1024172606 /nfs/dbraw/zinc/17/26/06/1024172606.db2.gz LIUZBIFOWICVNS-LJQANCHMSA-N 0 0 382.479 3.902 20 10 GHCDRN C/C=C/C[C@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)OCC ZINC001138130928 1024186607 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385.302 3.562 20 10 GHCDRN [O-]c1c(I)cccc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC001237778204 1042364662 /nfs/dbraw/zinc/36/46/62/1042364662.db2.gz UNKUZYAWLJUKHT-AWEZNQCLSA-N 0 0 379.241 3.986 20 10 GHCDRN C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cccc(I)c1[O-] ZINC001237783271 1042366355 /nfs/dbraw/zinc/36/63/55/1042366355.db2.gz JLIKOAAORHWNHY-GFCCVEGCSA-N 0 0 379.241 3.944 20 10 GHCDRN [O-]c1c(CN2CC([NH+]3CCCCC3)C2)cc(Br)cc1C(F)(F)F ZINC001237793289 1042373596 /nfs/dbraw/zinc/37/35/96/1042373596.db2.gz XXTJRJVGEOQHMA-UHFFFAOYSA-N 0 0 393.247 3.844 20 10 GHCDRN CN1CC[C@@]2(C[N@H+](Cc3cc(F)cc(Cl)c3[O-])C[C@@H]2c2ccccc2)C1=O ZINC001237801979 1042378323 /nfs/dbraw/zinc/37/83/23/1042378323.db2.gz YIHXNHFWAMFLSB-UTKZUKDTSA-N 0 0 388.870 3.633 20 10 GHCDRN CCOC[C@H]1CN(Cc2cc(F)c(Cl)cc2O)Cc2cn(CC3CC3)nc21 ZINC001237938594 1042429435 /nfs/dbraw/zinc/42/94/35/1042429435.db2.gz KXPAJAFQPJEQFV-MRXNPFEDSA-N 0 0 393.890 3.927 20 10 GHCDRN CCOC[C@H]1CN(Cc2cc(F)c(Cl)cc2O)Cc2ncn(CC3CC3)c21 ZINC001237939173 1042429846 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MKUQOJCACWRTLX-UHFFFAOYSA-N 0 0 375.476 3.731 20 10 GHCDRN COC(=O)/C=C/c1ccc(N2CC[C@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000736605056 1043143515 /nfs/dbraw/zinc/14/35/15/1043143515.db2.gz YKTJJOKQSBLTED-HFTQHKIXSA-N 0 0 384.407 3.989 20 10 GHCDRN FC(F)Oc1ccc(N2CCC[C@H](Nc3ncnc4[nH]c(Cl)cc43)C2)cc1 ZINC001306981544 1043205423 /nfs/dbraw/zinc/20/54/23/1043205423.db2.gz HQHUHQRDVBEUIJ-NSHDSACASA-N 0 0 393.825 3.716 20 10 GHCDRN CC[C@H](C)c1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1C[C@@H]1C[C@H]1C ZINC001291442676 1043258612 /nfs/dbraw/zinc/25/86/12/1043258612.db2.gz JGRATXQYSGIKFS-NSHGMRRFSA-N 0 0 397.567 3.921 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2cc(C)n(-c3ccn(C)n3)c2C)cc1 ZINC001291710577 1043410559 /nfs/dbraw/zinc/41/05/59/1043410559.db2.gz JBOZEPCJVNFOLN-UHFFFAOYSA-N 0 0 379.508 3.604 20 10 GHCDRN CC[C@H](C)CN(C)c1nnc([C@H]2CCCO2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001291732105 1043429665 /nfs/dbraw/zinc/42/96/65/1043429665.db2.gz HLZPHZCNJOHJEY-HNAYVOBHSA-N 0 0 389.519 3.865 20 10 GHCDRN 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CC(C)(C)OC(=O)NCc1ccc2c(c1)N(Cc1cccc(F)c1O)CCO2 ZINC001474653290 1074501117 /nfs/dbraw/zinc/50/11/17/1074501117.db2.gz RXVYPLHBCYULOU-UHFFFAOYSA-N 0 0 388.439 3.955 20 10 GHCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc3ccnc(Cl)c3c2)c1 ZINC001475008801 1074681727 /nfs/dbraw/zinc/68/17/27/1074681727.db2.gz IGPKNNAPAVNQAJ-NSHDSACASA-N 0 0 392.864 3.642 20 10 GHCDRN C[C@H]1Cc2cc(S(=O)(=O)NCc3cc(Cl)ccc3O)cc(Cl)c2O1 ZINC001475467205 1074885562 /nfs/dbraw/zinc/88/55/62/1074885562.db2.gz CBBYDSNXZLTZKK-VIFPVBQESA-N 0 0 388.272 3.501 20 10 GHCDRN Cc1ccc(Cn2cccc(NC(=O)NCc3cc(Cl)ccc3O)c2=O)cc1 ZINC001476352318 1075131555 /nfs/dbraw/zinc/13/15/55/1075131555.db2.gz LZJUZPFDNQNHNW-UHFFFAOYSA-N 0 0 397.862 3.886 20 10 GHCDRN CC(=O)N1CCCN(C(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)CC1 ZINC000044868434 210815792 /nfs/dbraw/zinc/81/57/92/210815792.db2.gz RHXJSCHFEBTFLG-UHFFFAOYSA-N 0 0 381.520 3.912 20 10 GHCDRN CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000736355283 599704870 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COCCn1c(C)c(C)c2cc(C(=O)N3CCc4cc(Cl)nnc4C3)ccc21 ZINC000843623021 835833515 /nfs/dbraw/zinc/83/35/15/835833515.db2.gz RQSKDHMPDKVONC-UHFFFAOYSA-N 0 0 398.894 3.546 20 10 GHCDRN C[C@H](NCc1ccn(-c2ccc(F)cc2)n1)c1ccc(N2CCOCC2)cc1 ZINC000179527330 835864639 /nfs/dbraw/zinc/86/46/39/835864639.db2.gz BGBXNWSYTRVOFR-KRWDZBQOSA-N 0 0 380.467 3.699 20 10 GHCDRN CCc1noc(-c2ccc(C)c(NC(=O)NCc3ccc(N(C)C)cc3)c2)n1 ZINC000177164603 836026089 /nfs/dbraw/zinc/02/60/89/836026089.db2.gz WIQHTXJRMYIMIA-UHFFFAOYSA-N 0 0 379.464 3.995 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000473270330 844122550 /nfs/dbraw/zinc/12/25/50/844122550.db2.gz PRYQTSYOOYTRON-IBGZPJMESA-N 0 0 379.485 3.606 20 10 GHCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H]2CCC2CCCCC2)c1 ZINC000179857257 836113594 /nfs/dbraw/zinc/11/35/94/836113594.db2.gz JGENZULIBMVVGQ-QGZVFWFLSA-N 0 0 394.537 3.729 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(CN3CCCC3=O)cc2)cc1 ZINC000728221127 836114267 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Cc1cc(CCNC(=O)N2CCC[C@]2(C)CCCO)c(C)n1-c1ccccc1 ZINC000776106683 875347764 /nfs/dbraw/zinc/34/77/64/875347764.db2.gz PYPZOPBIVZNOJR-HSZRJFAPSA-N 0 0 383.536 3.973 20 10 GHCDRN C[C@H](NC(=O)NCCNc1nc2ccccc2s1)c1ccc(N(C)C)cc1 ZINC000776117993 875364153 /nfs/dbraw/zinc/36/41/53/875364153.db2.gz YBPFSRVLTKJDNT-AWEZNQCLSA-N 0 0 383.521 3.835 20 10 GHCDRN S=C(NCc1cc(OC2COC2)ccn1)Nc1cccc(Cl)c1Cl ZINC001201018777 875442116 /nfs/dbraw/zinc/44/21/16/875442116.db2.gz UPKORAYCLMLCPI-UHFFFAOYSA-N 0 0 384.288 3.653 20 10 GHCDRN CC(C)(c1noc(-c2cc(NS(C)(=O)=O)ccc2O)n1)C1=CCCCC1 ZINC000771723212 875446174 /nfs/dbraw/zinc/44/61/74/875446174.db2.gz ISBWWDOBVBJBGB-UHFFFAOYSA-N 0 0 377.466 3.592 20 10 GHCDRN Nc1ccc(NC(=O)Nc2ccc(NC(=O)c3ccn4nccc4c3)cc2)cc1 ZINC001152843332 875487066 /nfs/dbraw/zinc/48/70/66/875487066.db2.gz FMRQLBQGRXNKAK-UHFFFAOYSA-N 0 0 386.415 3.813 20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)c3c(F)ccc(F)c3F)cc2F)C[C@H](C)O1 ZINC000771926256 875531506 /nfs/dbraw/zinc/53/15/06/875531506.db2.gz FBQMVPRAZFWSFQ-RYUDHWBXSA-N 0 0 396.384 3.787 20 10 GHCDRN O=C1CCCN1c1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)nc1 ZINC000771993672 875597710 /nfs/dbraw/zinc/59/77/10/875597710.db2.gz NMCIBVHEMONVBN-UHFFFAOYSA-N 0 0 395.463 3.719 20 10 GHCDRN CC(C)n1nnnc1-c1cccc(NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000858212018 882945862 /nfs/dbraw/zinc/94/58/62/882945862.db2.gz OENOVQZCNHPLDF-UHFFFAOYSA-N 0 0 396.470 3.509 20 10 GHCDRN CC(=O)c1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)n(C)c1 ZINC000016540372 875624830 /nfs/dbraw/zinc/62/48/30/875624830.db2.gz RCEUZTMXXHVFON-UHFFFAOYSA-N 0 0 392.455 3.983 20 10 GHCDRN C[C@@H](Cc1cc(Br)ccc1F)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001201505154 875723598 /nfs/dbraw/zinc/72/35/98/875723598.db2.gz XDMUZTMSDXIHMO-JTQLQIEISA-N 0 0 383.217 3.923 20 10 GHCDRN C[C@H](NC(=O)Nc1cc(C(F)(F)F)cc2c1OCC(=O)N2)c1ccccc1O ZINC001201514017 875727007 /nfs/dbraw/zinc/72/70/07/875727007.db2.gz UETWCMWUGTWGBL-VIFPVBQESA-N 0 0 395.337 3.625 20 10 GHCDRN COc1cc(OC)c(NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cc1F ZINC001201753774 875843337 /nfs/dbraw/zinc/84/33/37/875843337.db2.gz BZESOHFABJSNOM-AWEZNQCLSA-N 0 0 389.471 3.970 20 10 GHCDRN Cc1nc2ccccc2n1CCCNC(=O)NCCCSc1nccs1 ZINC000151728286 875856500 /nfs/dbraw/zinc/85/65/00/875856500.db2.gz YNTBNRNEKWECNF-UHFFFAOYSA-N 0 0 389.550 3.673 20 10 GHCDRN C[C@@H](C1CCCCC1)N(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000772338802 875897764 /nfs/dbraw/zinc/89/77/64/875897764.db2.gz GMQVTPXPCXGYTE-INIZCTEOSA-N 0 0 377.504 3.773 20 10 GHCDRN CC[C@@H]1CC[C@@H](C)N1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000772440409 875960629 /nfs/dbraw/zinc/96/06/29/875960629.db2.gz GTHLEOHFZABKPZ-XLMAVXFVSA-N 0 0 377.504 3.912 20 10 GHCDRN CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cc(F)c([O-])c(Cl)c3)c2)CC1 ZINC000772522628 875995342 /nfs/dbraw/zinc/99/53/42/875995342.db2.gz VYFGBSLRILBQRH-UHFFFAOYSA-N 0 0 391.874 3.967 20 10 GHCDRN C[C@@H](NC(=O)N1CCSC[C@@H]1c1nccs1)c1ccc(N(C)C)cc1 ZINC000776239244 875999169 /nfs/dbraw/zinc/99/91/69/875999169.db2.gz SPKFVRXIGFWXBS-CZUORRHYSA-N 0 0 376.551 3.770 20 10 GHCDRN CNC(=O)c1ccc(CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000776242850 876006354 /nfs/dbraw/zinc/00/63/54/876006354.db2.gz AOWMRQLGJJFPPI-MRXNPFEDSA-N 0 0 394.519 3.547 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3cc(C)n(-c4ccccc4)n3)CC2)cc1 ZINC000772578763 876012037 /nfs/dbraw/zinc/01/20/37/876012037.db2.gz MNSNXTPOXIBDQP-UHFFFAOYSA-N 0 0 391.475 3.543 20 10 GHCDRN COc1ccc(COCCNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000772564533 876028221 /nfs/dbraw/zinc/02/82/21/876028221.db2.gz JVHCSINVMNPPGZ-UHFFFAOYSA-N 0 0 397.519 3.652 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(C2CC2)cc1 ZINC000772570068 876029373 /nfs/dbraw/zinc/02/93/73/876029373.db2.gz IAPLUXVLHNMBES-UHFFFAOYSA-N 0 0 383.467 3.986 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CCO[C@H](C(C)C)C1 ZINC000772617472 876036032 /nfs/dbraw/zinc/03/60/32/876036032.db2.gz HXJHWBVUTGQFCX-WBVHZDCISA-N 0 0 399.329 3.890 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1c[nH]c2c1ncnc2Cl ZINC001152953595 876063611 /nfs/dbraw/zinc/06/36/11/876063611.db2.gz YWQWQXREKVGDEJ-QGZVFWFLSA-N 0 0 384.867 3.987 20 10 GHCDRN CCCOc1ccc(CN[C@@H](C(N)=O)c2cccc(Br)c2)cc1C ZINC001202243463 876086006 /nfs/dbraw/zinc/08/60/06/876086006.db2.gz YTKACFGEZBFBIY-GOSISDBHSA-N 0 0 391.309 3.863 20 10 GHCDRN NC(=O)N1CCCc2ccc(NCc3cccc(Br)c3O)cc21 ZINC000785561487 876131558 /nfs/dbraw/zinc/13/15/58/876131558.db2.gz HUPJTJRGWULEKC-UHFFFAOYSA-N 0 0 376.254 3.598 20 10 GHCDRN COc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc(OC)c1OC(F)F ZINC000173151957 876321332 /nfs/dbraw/zinc/32/13/32/876321332.db2.gz LXFGPNMHNZFEBR-UHFFFAOYSA-N 0 0 394.418 3.643 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NCc1cccc2cc[nH]c21 ZINC000786110724 876453641 /nfs/dbraw/zinc/45/36/41/876453641.db2.gz DPFHQVPQBZLWPQ-UHFFFAOYSA-N 0 0 380.517 3.721 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000786165168 876492560 /nfs/dbraw/zinc/49/25/60/876492560.db2.gz XRHHAIGADPKYJX-APWZRJJASA-N 0 0 389.540 3.747 20 10 GHCDRN Cc1ccc(F)cc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108616642 876496473 /nfs/dbraw/zinc/49/64/73/876496473.db2.gz CHFKIEYVDGTCOZ-UHFFFAOYSA-N 0 0 383.467 3.625 20 10 GHCDRN CCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000108616563 876496622 /nfs/dbraw/zinc/49/66/22/876496622.db2.gz FFBAHYVZDGWAKG-UHFFFAOYSA-N 0 0 395.503 3.577 20 10 GHCDRN CC(=O)N[C@@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc(C)cc1 ZINC000914439931 883036944 /nfs/dbraw/zinc/03/69/44/883036944.db2.gz QPXIBQKLYSKPBA-QHCPKHFHSA-N 0 0 393.531 3.820 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2cc(N3CCNC3=O)ccc2C)cc1 ZINC000786236271 876574096 /nfs/dbraw/zinc/57/40/96/876574096.db2.gz KHWXGIMKNSPHKD-UHFFFAOYSA-N 0 0 395.507 3.693 20 10 GHCDRN COC(=O)c1ccc(F)c2c1CN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)CC2 ZINC000858368018 883052608 /nfs/dbraw/zinc/05/26/08/883052608.db2.gz AZQGSTNFQGVAAC-CQSZACIVSA-N 0 0 399.466 3.507 20 10 GHCDRN Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])cc1 ZINC000786584509 876772873 /nfs/dbraw/zinc/77/28/73/876772873.db2.gz UGGTXPUTRQTCHU-SWLSCSKDSA-N 0 0 382.273 3.856 20 10 GHCDRN CCc1cccc2c(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)c[nH]c21 ZINC000109206886 876781824 /nfs/dbraw/zinc/78/18/24/876781824.db2.gz HDHKDEXPENHLGE-UHFFFAOYSA-N 0 0 395.478 3.565 20 10 GHCDRN Fc1cc(CNCc2cccc(OC3CC3)c2F)cc(F)c1N1CCOCC1 ZINC000850322666 876809402 /nfs/dbraw/zinc/80/94/02/876809402.db2.gz CLAFAAFQJMUMLZ-UHFFFAOYSA-N 0 0 392.421 3.772 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(Cc2ccc(OC)cc2)c1 ZINC000109262784 876819995 /nfs/dbraw/zinc/81/99/95/876819995.db2.gz PYPVLDUEZQEXAZ-UHFFFAOYSA-N 0 0 392.503 3.668 20 10 GHCDRN CCN1CCc2nc(NC(=O)c3cc(C)n(-c4ccccn4)c3C)sc2C1 ZINC000097406488 883070092 /nfs/dbraw/zinc/07/00/92/883070092.db2.gz CIXKBFSUYYYSCQ-UHFFFAOYSA-N 0 0 381.505 3.576 20 10 GHCDRN Cc1ccc([C@@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1 ZINC000786724860 876888532 /nfs/dbraw/zinc/88/85/32/876888532.db2.gz QTDJSEXECIGCIP-GOSISDBHSA-N 0 0 381.520 3.675 20 10 GHCDRN CC[C@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C(F)(F)F ZINC000786744947 876898721 /nfs/dbraw/zinc/89/87/21/876898721.db2.gz YJHCKIDYDZLBIF-AWEZNQCLSA-N 0 0 395.372 3.897 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](C)C(=O)NC(C)(C)C)c(C)n1-c1cccc(Cl)c1 ZINC000109345624 876932475 /nfs/dbraw/zinc/93/24/75/876932475.db2.gz GCPUDDMBNGDMPD-ZDUSSCGKSA-N 0 0 375.900 3.781 20 10 GHCDRN Cc1cc(C(=O)N[C@H](C)C(=O)NCc2ccco2)c(C)n1-c1ccc(Cl)cc1 ZINC000109352048 876938599 /nfs/dbraw/zinc/93/85/99/876938599.db2.gz ZTWOPGVPGIZTBT-CQSZACIVSA-N 0 0 399.878 3.775 20 10 GHCDRN COC[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-])C1CCOCC1 ZINC000850492514 876969644 /nfs/dbraw/zinc/96/96/44/876969644.db2.gz BVOOZAJNKXWWLX-ZUZCIYMTSA-N 0 0 392.721 3.900 20 10 GHCDRN CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])C1 ZINC000850500434 876975361 /nfs/dbraw/zinc/97/53/61/876975361.db2.gz DGOFEQOVDMOLNH-DDFXLWFNSA-N 0 0 390.293 3.511 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1cc(Br)cc(F)c1[O-] ZINC000850503240 876977858 /nfs/dbraw/zinc/97/78/58/876977858.db2.gz VFUFMWSOWIYFJD-HGKUSOMCSA-N 0 0 378.307 3.634 20 10 GHCDRN COc1cc(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)ccc1F ZINC000786874485 876996589 /nfs/dbraw/zinc/99/65/89/876996589.db2.gz WQCNHCXCHXMZLE-UHFFFAOYSA-N 0 0 378.469 3.871 20 10 GHCDRN COc1ccnc(CN[C@H](C)c2cc(Br)cc(OC)c2O)c1F ZINC000850537701 877006753 /nfs/dbraw/zinc/00/67/53/877006753.db2.gz XNMPJIRLMVTART-SECBINFHSA-N 0 0 385.233 3.557 20 10 GHCDRN C[C@@H]([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1cccc(C(F)(F)F)c1[O-] ZINC000850557451 877023977 /nfs/dbraw/zinc/02/39/77/877023977.db2.gz OCTJFFYLZZVJGK-KBRIMQKVSA-N 0 0 384.442 3.705 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000786968556 877056400 /nfs/dbraw/zinc/05/64/00/877056400.db2.gz SSVUPVCIMNAIJP-LJQANCHMSA-N 0 0 391.874 3.612 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N(C)CC3CCCC3)cc2F)C[C@@H](C)O1 ZINC000109428996 877079274 /nfs/dbraw/zinc/07/92/74/877079274.db2.gz SOXFSMSIQUDYAX-HZPDHXFCSA-N 0 0 377.504 3.771 20 10 GHCDRN Cc1cccc(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1 ZINC000787026855 877104206 /nfs/dbraw/zinc/10/42/06/877104206.db2.gz IUHITXKQGYWJNA-UHFFFAOYSA-N 0 0 380.488 3.678 20 10 GHCDRN COc1ccc2[nH]cc(C3=CCN(C(=O)/C=C/c4ccc(O)c(O)c4)CC3)c2c1 ZINC000180929079 883109931 /nfs/dbraw/zinc/10/99/31/883109931.db2.gz NVMBHFWDZONYAZ-XVNBXDOJSA-N 0 0 390.439 3.917 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N(C)[C@@H]2CCCCNC2=O)cc1 ZINC000772696077 877202364 /nfs/dbraw/zinc/20/23/64/877202364.db2.gz YWOSTRPOVCGWTK-HXUWFJFHSA-N 0 0 393.491 3.909 20 10 GHCDRN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1ccc(Cl)nc1Cl ZINC000761478274 877212445 /nfs/dbraw/zinc/21/24/45/877212445.db2.gz OMPZOKABGHCREW-JXMROGBWSA-N 0 0 389.198 3.951 20 10 GHCDRN Cc1ccc(-c2cc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)[nH]n2)o1 ZINC000174956901 883112975 /nfs/dbraw/zinc/11/29/75/883112975.db2.gz GKVDLLDUJJIRSU-MRXNPFEDSA-N 0 0 381.432 3.505 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@@]34CCc3ccccc34)CC2)cc1 ZINC000175576255 877326763 /nfs/dbraw/zinc/32/67/63/877326763.db2.gz YTYGGCQDTJWUDJ-LADGPHEKSA-N 0 0 376.500 3.638 20 10 GHCDRN C[C@H](NC(=O)NC[C@@H](O)c1cc(F)cc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000787317966 877341474 /nfs/dbraw/zinc/34/14/74/877341474.db2.gz NIGMCKPRROJDFC-KPZWWZAWSA-N 0 0 379.863 3.639 20 10 GHCDRN CN(C)c1ccc(CNC(=O)COc2ccc(Cl)cc2Br)cc1 ZINC000007694018 877346342 /nfs/dbraw/zinc/34/63/42/877346342.db2.gz ZNFFNSFNIQJYBM-UHFFFAOYSA-N 0 0 397.700 3.864 20 10 GHCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@@H](C[C@H]3COCCO3)C(F)(F)F)cc12 ZINC000851092525 877396438 /nfs/dbraw/zinc/39/64/38/877396438.db2.gz KOLXHSDXYBDUAQ-GOEBONIOSA-N 0 0 385.382 3.685 20 10 GHCDRN C[C@H](NC(=O)CCOc1cccc(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000109180006 877407077 /nfs/dbraw/zinc/40/70/77/877407077.db2.gz PLDWLQCEBSSPFG-INIZCTEOSA-N 0 0 388.895 3.823 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)NCC[C@H](OC)C(F)(F)F)c2C)cc1 ZINC000787462368 877420759 /nfs/dbraw/zinc/42/07/59/877420759.db2.gz CCQDHSJZCFLWME-KRWDZBQOSA-N 0 0 384.398 3.800 20 10 GHCDRN O=C(CN(Cc1ccco1)Cc1ccccc1O)NCC1(c2ccccc2)CC1 ZINC000109761123 877424723 /nfs/dbraw/zinc/42/47/23/877424723.db2.gz XAKRKACSCULMQD-UHFFFAOYSA-N 0 0 390.483 3.835 20 10 GHCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@H]1c1ccccc1 ZINC000175674196 877451022 /nfs/dbraw/zinc/45/10/22/877451022.db2.gz JFUZGEKXNZQXMU-IIBYNOLFSA-N 0 0 383.467 3.565 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C)c(OC(C)C)c1 ZINC000787555967 877474916 /nfs/dbraw/zinc/47/49/16/877474916.db2.gz SGJGDENFNWCMAS-UHFFFAOYSA-N 0 0 384.476 3.865 20 10 GHCDRN Cc1cc(C(=O)Nc2cc(N3CCNC3=O)ccc2C)c(C)n1-c1ccccn1 ZINC000787693028 877560252 /nfs/dbraw/zinc/56/02/52/877560252.db2.gz ICFJDUOJDJOIQP-UHFFFAOYSA-N 0 0 389.459 3.579 20 10 GHCDRN Cc1nc(-c2ccc(NC(=O)NCc3ccc(N(C)C)c(F)c3)cc2)cc(=O)[nH]1 ZINC000746708058 877625543 /nfs/dbraw/zinc/62/55/43/877625543.db2.gz JCCQTLCLXKDQBW-UHFFFAOYSA-N 0 0 395.438 3.684 20 10 GHCDRN CC(C)(COCC(F)F)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000787897900 877725454 /nfs/dbraw/zinc/72/54/54/877725454.db2.gz FAIZRVPGVHDSRX-UHFFFAOYSA-N 0 0 387.382 3.708 20 10 GHCDRN COC(=O)CCCCCS(=O)(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000788052361 877802512 /nfs/dbraw/zinc/80/25/12/877802512.db2.gz GFOVTJDOMJSKCY-UHFFFAOYSA-N 0 0 397.537 3.590 20 10 GHCDRN COc1cc(Br)cc(CN2CCOC[C@@H]2c2ccc(C)o2)c1O ZINC000093459674 912283887 /nfs/dbraw/zinc/28/38/87/912283887.db2.gz GVFOPDGIRLQWAS-CQSZACIVSA-N 0 0 382.254 3.638 20 10 GHCDRN COC(=O)[C@H](c1ccc(Cl)cc1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000851716934 877877227 /nfs/dbraw/zinc/87/72/27/877877227.db2.gz RAXNWSDHZHWXTJ-FQEVSTJZSA-N 0 0 388.895 3.523 20 10 GHCDRN CO[C@@H](CN(Cc1ccc(C)s1)c1ccc2c(c1)OCCO2)[C@H]1CCOC1 ZINC000851836251 877934070 /nfs/dbraw/zinc/93/40/70/877934070.db2.gz PGCCAPIKDIRQSB-KKSFZXQISA-N 0 0 389.517 3.886 20 10 GHCDRN C[C@H](NCc1ncsc1Br)c1ccc(N2CCOCC2)cc1 ZINC000851895100 877962977 /nfs/dbraw/zinc/96/29/77/877962977.db2.gz BQPCDZNFKTUKAN-LBPRGKRZSA-N 0 0 382.327 3.593 20 10 GHCDRN COC(=O)c1cc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)ccc1C ZINC000746738644 877984456 /nfs/dbraw/zinc/98/44/56/877984456.db2.gz IIFHPUIEPDKBGS-UHFFFAOYSA-N 0 0 397.475 3.581 20 10 GHCDRN C[C@H](NC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000788307361 877985386 /nfs/dbraw/zinc/98/53/86/877985386.db2.gz LEWQTZPKLSUABU-LBPRGKRZSA-N 0 0 395.912 3.692 20 10 GHCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)c1 ZINC000152392209 877989461 /nfs/dbraw/zinc/98/94/61/877989461.db2.gz MEZUKKKTVWEOPT-QFIPXVFZSA-N 0 0 394.427 3.703 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)c3c(F)cccc3F)C2)cc1 ZINC000851976888 878011809 /nfs/dbraw/zinc/01/18/09/878011809.db2.gz ZYHCYLNEYIZVNB-ZIAGYGMSSA-N 0 0 375.419 3.613 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@@H](CCF)C3)cc2F)C[C@@H](C)O1 ZINC000851991257 878019983 /nfs/dbraw/zinc/01/99/83/878019983.db2.gz KFLIZHAEXCJYBJ-ZACQAIPSSA-N 0 0 395.494 3.721 20 10 GHCDRN CC[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1CC1 ZINC000851991704 878020758 /nfs/dbraw/zinc/02/07/58/878020758.db2.gz CZYCDPVDDOOQBX-KRWDZBQOSA-N 0 0 385.430 3.530 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000852003811 878026670 /nfs/dbraw/zinc/02/66/70/878026670.db2.gz BMYNKVAQSLYOGF-OAQYLSRUSA-N 0 0 395.503 3.943 20 10 GHCDRN CCOc1cccc([C@@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000852024769 878039751 /nfs/dbraw/zinc/03/97/51/878039751.db2.gz MSNYCSNMEQBLCM-QGZVFWFLSA-N 0 0 397.519 3.607 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000852138663 878096912 /nfs/dbraw/zinc/09/69/12/878096912.db2.gz QPKLYVHXQGOESX-OAQYLSRUSA-N 0 0 393.487 3.719 20 10 GHCDRN C[C@H](CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1)Sc1ccccc1 ZINC000852154527 878106668 /nfs/dbraw/zinc/10/66/68/878106668.db2.gz QVQLTRGXISOLSF-QGZVFWFLSA-N 0 0 399.560 3.628 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC000852176075 878121790 /nfs/dbraw/zinc/12/17/90/878121790.db2.gz RDONBKQWCYROCE-WBVHZDCISA-N 0 0 398.463 3.551 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)c3ccc(F)cc3F)C2)cc1 ZINC000852177677 878123388 /nfs/dbraw/zinc/12/33/88/878123388.db2.gz RHYMNNSSHIDHBT-DZGCQCFKSA-N 0 0 375.419 3.613 20 10 GHCDRN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Cc3ccc(N)cc3)cc2)cc1 ZINC000237857992 878152706 /nfs/dbraw/zinc/15/27/06/878152706.db2.gz XJBXLKNXNBVTOC-UHFFFAOYSA-N 0 0 395.484 3.559 20 10 GHCDRN O=C(NCCCSc1nccs1)NCC1(c2ccccc2)CCOCC1 ZINC000152414282 878173073 /nfs/dbraw/zinc/17/30/73/878173073.db2.gz SYBGUXBTMCPVFF-UHFFFAOYSA-N 0 0 391.562 3.673 20 10 GHCDRN Cc1cc(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)ccc1Cl ZINC000852253583 878176998 /nfs/dbraw/zinc/17/69/98/878176998.db2.gz VFYPKRIHYNAICE-UHFFFAOYSA-N 0 0 387.911 3.609 20 10 GHCDRN C[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1cc2ccccc2o1 ZINC000852270343 878190510 /nfs/dbraw/zinc/19/05/10/878190510.db2.gz GCUTWDITJUREIR-MRXNPFEDSA-N 0 0 393.487 3.954 20 10 GHCDRN CCn1nccc1CNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000852308945 878225535 /nfs/dbraw/zinc/22/55/35/878225535.db2.gz RZORIKLKJNPEBE-HNNXBMFYSA-N 0 0 389.931 3.792 20 10 GHCDRN Cc1ccc(C(=O)OCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c(O)c1O ZINC000110530296 878225805 /nfs/dbraw/zinc/22/58/05/878225805.db2.gz GKBLYCJKKYCOSY-UHFFFAOYSA-N 0 0 398.242 3.528 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1cccc(C(F)(F)F)c1[O-] ZINC000788640913 878231788 /nfs/dbraw/zinc/23/17/88/878231788.db2.gz HNDFLAZEWHFIMQ-GUYCJALGSA-N 0 0 378.394 3.863 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1cccc(C(F)(F)F)c1[O-] ZINC000788640912 878232165 /nfs/dbraw/zinc/23/21/65/878232165.db2.gz HNDFLAZEWHFIMQ-DYVFJYSZSA-N 0 0 378.394 3.863 20 10 GHCDRN COc1ccc(N2CCN([C@@H](C)c3nnc(-c4ccccc4)o3)CC2)cc1F ZINC000122089030 878256821 /nfs/dbraw/zinc/25/68/21/878256821.db2.gz XKMULKYFVPYKCP-HNNXBMFYSA-N 0 0 382.439 3.768 20 10 GHCDRN C[C@@H]1c2ccccc2CN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000746758642 878276438 /nfs/dbraw/zinc/27/64/38/878276438.db2.gz NMDWDDCVLDOFHU-OAHLLOKOSA-N 0 0 383.467 3.573 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@@H]3c3cccc(C)n3)C2)cc1 ZINC000852453918 878334909 /nfs/dbraw/zinc/33/49/09/878334909.db2.gz MGZRIFKPIXHAKL-DYESRHJHSA-N 0 0 380.492 3.524 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](C(F)(F)F)CC[C@@H]3C)C2)cc1 ZINC000852455251 878335194 /nfs/dbraw/zinc/33/51/94/878335194.db2.gz TXXLACAEQUBBHF-ZNMIVQPWSA-N 0 0 385.430 3.646 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3cc(-c4ccccc4F)on3)CC2)cc1 ZINC000788820126 878355814 /nfs/dbraw/zinc/35/58/14/878355814.db2.gz RKKBBXRBHUUEKY-UHFFFAOYSA-N 0 0 396.422 3.843 20 10 GHCDRN CCCOc1cc(OC)ccc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000788831948 878367134 /nfs/dbraw/zinc/36/71/34/878367134.db2.gz LFOGKWLVEINEMA-QGZVFWFLSA-N 0 0 398.503 3.812 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC1CCC2(CC2(F)F)CC1 ZINC000852607729 878464452 /nfs/dbraw/zinc/46/44/52/878464452.db2.gz MPVYJUWCWWVNTJ-UHFFFAOYSA-N 0 0 393.478 3.633 20 10 GHCDRN CSC[C@@H](C)C(=O)Nc1ccc(N(C)CCN(C)c2ccc(N)cc2)cc1 ZINC001183213665 912350853 /nfs/dbraw/zinc/35/08/53/912350853.db2.gz HQDPGRBYASZAGF-MRXNPFEDSA-N 0 0 386.565 3.779 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@@H](CC1CC1)c1ccccc1 ZINC000788937924 878484952 /nfs/dbraw/zinc/48/49/52/878484952.db2.gz OZGXCAQQEHJREO-QFIPXVFZSA-N 0 0 391.515 3.561 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2cc(F)ccc2OC(F)F)c1 ZINC000852683965 878522163 /nfs/dbraw/zinc/52/21/63/878522163.db2.gz XPXMUOFSMUZSFG-SNVBAGLBSA-N 0 0 384.354 3.702 20 10 GHCDRN C[C@H](OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C(=O)c1ccccc1 ZINC000789013653 878536593 /nfs/dbraw/zinc/53/65/93/878536593.db2.gz FRZXOEYBOYXABG-AWEZNQCLSA-N 0 0 384.387 3.890 20 10 GHCDRN C[C@@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(N2CCOCC2)cc1 ZINC000068480170 878611111 /nfs/dbraw/zinc/61/11/11/878611111.db2.gz HYTXREOIPKDXKA-CVEARBPZSA-N 0 0 398.463 3.553 20 10 GHCDRN COc1cccc(CNC(=O)c2cc(-c3cccnc3)nc3ccccc32)c1O ZINC000068488623 878631092 /nfs/dbraw/zinc/63/10/92/878631092.db2.gz NWFURXWIYXPJAM-UHFFFAOYSA-N 0 0 385.423 3.941 20 10 GHCDRN CC1(C)CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)[C@H]1c1cccnc1 ZINC000852872529 878638789 /nfs/dbraw/zinc/63/87/89/878638789.db2.gz HCBSHNQOPDMCMG-IBGZPJMESA-N 0 0 378.501 3.934 20 10 GHCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1cccc(I)c1 ZINC000789128837 878656259 /nfs/dbraw/zinc/65/62/59/878656259.db2.gz CAYOQMMAOOBUAD-RAXLEYEMSA-N 0 0 398.269 3.747 20 10 GHCDRN O=C([O-])[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1Cl ZINC000853038019 878764618 /nfs/dbraw/zinc/76/46/18/878764618.db2.gz NNTJSYXUDGLWMH-SFHVURJKSA-N 0 0 395.286 3.746 20 10 GHCDRN Cc1cccc(CN(Cc2cccc(C)n2)Cc2cc3c(cc2O)OCO3)n1 ZINC000180523137 879013386 /nfs/dbraw/zinc/01/33/86/879013386.db2.gz KANLOGBIUREPMK-UHFFFAOYSA-N 0 0 377.444 3.730 20 10 GHCDRN Cc1cc(CCNC(=O)[C@@H](C)c2c(C)nn(C)c2C)c(C)n1-c1ccccc1 ZINC000746823846 879057877 /nfs/dbraw/zinc/05/78/77/879057877.db2.gz UDIXIPHKYHZJLL-INIZCTEOSA-N 0 0 378.520 3.907 20 10 GHCDRN C[NH+](C)Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000789728768 879202427 /nfs/dbraw/zinc/20/24/27/879202427.db2.gz WYRUVPCXWALQND-UHFFFAOYSA-N 0 0 391.493 3.812 20 10 GHCDRN Cc1cc(C(=O)NCC(=O)NC2CCCCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000746848836 879203428 /nfs/dbraw/zinc/20/34/28/879203428.db2.gz LDDYVUNHAVDXKU-UHFFFAOYSA-N 0 0 387.911 3.926 20 10 GHCDRN C[C@H]1Cc2ccccc2[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000111534012 879248491 /nfs/dbraw/zinc/24/84/91/879248491.db2.gz JVKAYAISZSXIJN-NYHFZMIOSA-N 0 0 397.494 3.520 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000853749276 879260969 /nfs/dbraw/zinc/26/09/69/879260969.db2.gz NVVUZVUJDZTRBH-UHFFFAOYSA-N 0 0 392.544 3.506 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000180747406 879272953 /nfs/dbraw/zinc/27/29/53/879272953.db2.gz SNEBSZOVCYOUFT-XYOKQWHBSA-N 0 0 385.423 3.971 20 10 GHCDRN CC(C)[C@@H](O)[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1 ZINC000853775970 879276315 /nfs/dbraw/zinc/27/63/15/879276315.db2.gz JGTHYJCMDDAZSD-FCHUYYIVSA-N 0 0 379.504 3.620 20 10 GHCDRN C/C=C(\CC)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000789792966 879280339 /nfs/dbraw/zinc/28/03/39/879280339.db2.gz BCSDITWCNBXDQT-KWJIGKFDSA-N 0 0 375.513 3.791 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H](CC1CC1)c1ccccc1 ZINC000853790209 879286561 /nfs/dbraw/zinc/28/65/61/879286561.db2.gz BYWJRVGUKORHPQ-HSZRJFAPSA-N 0 0 393.531 3.988 20 10 GHCDRN CCS[C@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000853822386 879310234 /nfs/dbraw/zinc/31/02/34/879310234.db2.gz NDKRIUNHPGVQHO-PXNSSMCTSA-N 0 0 391.581 3.511 20 10 GHCDRN Cc1cc(CCNC(=O)[C@H]2CCC(=O)c3cccn32)c(C)n1-c1ccccc1 ZINC000789881771 879313129 /nfs/dbraw/zinc/31/31/29/879313129.db2.gz VEGLHIWBUNLUOS-OAQYLSRUSA-N 0 0 375.472 3.772 20 10 GHCDRN C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)[C@@H](c2cc(F)c(F)c(F)c2)N(C)C1=O ZINC000761575516 879317584 /nfs/dbraw/zinc/31/75/84/879317584.db2.gz KNLUMCONQNNJOO-BBATYDOGSA-N 0 0 391.393 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883388279 /nfs/dbraw/zinc/38/82/79/883388279.db2.gz DUXVXYRZOVNYBT-JOCHJYFZSA-N 0 0 379.504 3.960 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cn(-c2cccc(Cl)c2)nn1 ZINC001129975116 883399119 /nfs/dbraw/zinc/39/91/19/883399119.db2.gz VWVQCHWGMHFBSF-HNNXBMFYSA-N 0 0 397.910 3.656 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000804967111 883516089 /nfs/dbraw/zinc/51/60/89/883516089.db2.gz IKXGBIUTFMILJE-UHFFFAOYSA-N 0 0 384.480 3.825 20 10 GHCDRN O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1cccnc1C(F)(F)F ZINC000804971444 883519530 /nfs/dbraw/zinc/51/95/30/883519530.db2.gz BPMXLUSPQIIHQA-UHFFFAOYSA-N 0 0 399.438 3.569 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@@H]3c3ccccc3)cc2)CC1 ZINC000805022882 883537522 /nfs/dbraw/zinc/53/75/22/883537522.db2.gz HDCVYRYSNBAJNL-JOCHJYFZSA-N 0 0 391.515 3.513 20 10 GHCDRN CO[C@H](C)c1nc(C)c(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000175267746 883545417 /nfs/dbraw/zinc/54/54/17/883545417.db2.gz PWVDFYNLIVAIPI-ZBFHGGJFSA-N 0 0 390.505 3.686 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C ZINC000116533987 883583588 /nfs/dbraw/zinc/58/35/88/883583588.db2.gz IPPYMDGSJMNKHS-UHFFFAOYSA-N 0 0 391.471 3.816 20 10 GHCDRN O=C(NCc1coc2ccccc12)NCc1cc(Br)ccc1O ZINC000805114936 883588365 /nfs/dbraw/zinc/58/83/65/883588365.db2.gz DPXDAEJIVARIKB-UHFFFAOYSA-N 0 0 375.222 3.900 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)c2cccnc2OCC(F)(F)F)C2CC2)cc1 ZINC000914483679 883608943 /nfs/dbraw/zinc/60/89/43/883608943.db2.gz CJOUUPAGEBXTJC-UHFFFAOYSA-N 0 0 393.409 3.894 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000805124311 883609161 /nfs/dbraw/zinc/60/91/61/883609161.db2.gz JEMOYJOOMMZJGF-FZMZJTMJSA-N 0 0 397.219 3.788 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NCc1c(F)cccc1N1CCCC1 ZINC000805145281 883624067 /nfs/dbraw/zinc/62/40/67/883624067.db2.gz PHUZGRMSCGZBTP-UHFFFAOYSA-N 0 0 394.494 3.802 20 10 GHCDRN C[C@@H](CNC(=O)NCc1cc(Br)ccc1O)Oc1cccc(F)c1 ZINC000805158442 883635842 /nfs/dbraw/zinc/63/58/42/883635842.db2.gz QDMHTTWSLBZRBY-NSHDSACASA-N 0 0 397.244 3.561 20 10 GHCDRN C[C@@H](CNC(=O)NCc1cc(Br)ccc1O)Oc1ccc(F)cc1 ZINC000805157359 883636098 /nfs/dbraw/zinc/63/60/98/883636098.db2.gz MHZPFEISRQTGLR-NSHDSACASA-N 0 0 397.244 3.561 20 10 GHCDRN CO[C@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCCCC1 ZINC001126658278 883665955 /nfs/dbraw/zinc/66/59/55/883665955.db2.gz REQULELELKBDCJ-APWZRJJASA-N 0 0 396.478 3.968 20 10 GHCDRN Cc1ccc(N2CCCC2)c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000116634419 883683461 /nfs/dbraw/zinc/68/34/61/883683461.db2.gz OLOAAEQYIYWYDT-LJQANCHMSA-N 0 0 393.531 3.923 20 10 GHCDRN Cc1cccc([C@@H](NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000859276064 883712894 /nfs/dbraw/zinc/71/28/94/883712894.db2.gz FJRXLODHJQCOOD-NRFANRHFSA-N 0 0 381.520 3.533 20 10 GHCDRN CCc1cnccc1[C@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000805254918 883719465 /nfs/dbraw/zinc/71/94/65/883719465.db2.gz GEQSCOLISMRBGD-NSHDSACASA-N 0 0 378.270 3.673 20 10 GHCDRN CN(C)c1ccc(CNC(=O)CNC(C)(C)c2nc3ccccc3s2)cc1 ZINC000859467962 883833262 /nfs/dbraw/zinc/83/32/62/883833262.db2.gz DWBFOKBVMLVRCW-UHFFFAOYSA-N 0 0 382.533 3.503 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)NC[C@H]1CCCC(F)(F)C1 ZINC000805450309 883854912 /nfs/dbraw/zinc/85/49/12/883854912.db2.gz UMEPZQJEIVOVOY-JTQLQIEISA-N 0 0 377.229 3.779 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCCCCn2ccnc2C)cc1 ZINC000859566265 883900018 /nfs/dbraw/zinc/90/00/18/883900018.db2.gz GNMPWGJOIVXLMG-UHFFFAOYSA-N 0 0 392.503 3.551 20 10 GHCDRN CCOC(=O)c1c(C)[nH]c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1C ZINC000914506270 883901808 /nfs/dbraw/zinc/90/18/08/883901808.db2.gz KFBANVPUJLITMM-UHFFFAOYSA-N 0 0 385.508 3.925 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC(OCC2CC2)CC1 ZINC000859752232 884034277 /nfs/dbraw/zinc/03/42/77/884034277.db2.gz IIKUGRVPMYPEKT-UHFFFAOYSA-N 0 0 380.488 3.938 20 10 GHCDRN Cc1cc(CC(=O)N(CC(N)=O)C2CCCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000918605031 884034489 /nfs/dbraw/zinc/03/44/89/884034489.db2.gz YSIZSUISQXDJCR-UHFFFAOYSA-N 0 0 387.911 3.547 20 10 GHCDRN CCc1ccc(-c2noc([C@H](C)NC(=O)NCc3ccc(N(C)C)cc3)n2)cc1 ZINC000760488892 884157826 /nfs/dbraw/zinc/15/78/26/884157826.db2.gz ZGLIRKRGLQHWKK-HNNXBMFYSA-N 0 0 393.491 3.925 20 10 GHCDRN Nc1ccc(CCNC(=O)N2CC[C@H](c3cccc(Br)c3)C2)cc1 ZINC000841955538 884311937 /nfs/dbraw/zinc/31/19/37/884311937.db2.gz GCFUDXYGGHCVOL-INIZCTEOSA-N 0 0 388.309 3.773 20 10 GHCDRN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841956780 884315726 /nfs/dbraw/zinc/31/57/26/884315726.db2.gz HRVXWWGBHHPASB-HXUWFJFHSA-N 0 0 377.492 3.728 20 10 GHCDRN CC(C)(NC(=O)NCCc1ccc(N)cc1)c1ccccc1Br ZINC000841956581 884319608 /nfs/dbraw/zinc/31/96/08/884319608.db2.gz CFNYNBVHXLGJKW-UHFFFAOYSA-N 0 0 376.298 3.808 20 10 GHCDRN CC[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1)c1cccc(Cl)c1[O-] ZINC000806133664 884353826 /nfs/dbraw/zinc/35/38/26/884353826.db2.gz PLBGIRWYBGBKFE-YVEFUNNKSA-N 0 0 382.913 3.756 20 10 GHCDRN Nc1ccc(CCNC(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000841960989 884370681 /nfs/dbraw/zinc/37/06/81/884370681.db2.gz YSVAERRFDPLTKP-SFHVURJKSA-N 0 0 393.409 3.613 20 10 GHCDRN COc1ccc(N2CCN(C(=O)CCOc3ccc4ccccc4c3)CC2)cc1 ZINC000193133881 884394665 /nfs/dbraw/zinc/39/46/65/884394665.db2.gz MWKLDHFMEDTHAV-UHFFFAOYSA-N 0 0 390.483 3.966 20 10 GHCDRN CC[C@H]([NH2+][C@H]1CCOC[C@H]1OCCOC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806160231 884415904 /nfs/dbraw/zinc/41/59/04/884415904.db2.gz GCTFTGOJDXKMPE-HRCADAONSA-N 0 0 378.296 3.560 20 10 GHCDRN CC[C@@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1cccc(Cl)c1[O-] ZINC000806164991 884420682 /nfs/dbraw/zinc/42/06/82/884420682.db2.gz GALRBUKTPZXXIP-GOSISDBHSA-N 0 0 381.925 3.744 20 10 GHCDRN CC[C@@H]([NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1)c1cccc(Cl)c1[O-] ZINC000806165740 884420839 /nfs/dbraw/zinc/42/08/39/884420839.db2.gz ONADJAMXLRTNNI-HNAYVOBHSA-N 0 0 388.895 3.766 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000841647592 884431319 /nfs/dbraw/zinc/43/13/19/884431319.db2.gz ZUGSJRDLNJFROE-VGOFRKELSA-N 0 0 397.519 3.981 20 10 GHCDRN Nc1ccc2c(c1)CCC[C@@H]2NC(=O)NCc1cccc(Br)c1O ZINC000841979559 884446615 /nfs/dbraw/zinc/44/66/15/884446615.db2.gz YVARLYYLIFKCGF-INIZCTEOSA-N 0 0 390.281 3.614 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)Nc1ccc2c(c1)CCCO2 ZINC000806250211 884468717 /nfs/dbraw/zinc/46/87/17/884468717.db2.gz ONCNCVHMHNTTDR-UHFFFAOYSA-N 0 0 377.238 3.801 20 10 GHCDRN CCO[C@@H](CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C(C)C ZINC000760499510 884537721 /nfs/dbraw/zinc/53/77/21/884537721.db2.gz JZPINELESQVTGM-SFHVURJKSA-N 0 0 384.467 3.824 20 10 GHCDRN O=C1OC2(CC[NH+](Cc3cc(F)c(F)cc3[O-])CC2)c2ccc(Cl)cc21 ZINC001142527129 884539171 /nfs/dbraw/zinc/53/91/71/884539171.db2.gz LRIBWTDBSOJYRU-UHFFFAOYSA-N 0 0 379.790 3.986 20 10 GHCDRN Cc1ccnc(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)n1 ZINC000795796734 912835914 /nfs/dbraw/zinc/83/59/14/912835914.db2.gz BPODIKHENTYLBZ-UHFFFAOYSA-N 0 0 375.388 3.996 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](CC1CC1)c1ccccc1 ZINC000806294363 884575041 /nfs/dbraw/zinc/57/50/41/884575041.db2.gz DWHQWCXPELXGQR-FQEVSTJZSA-N 0 0 380.488 3.788 20 10 GHCDRN COc1ccc2c(c1)CC[C@@H]2C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000860346567 884582229 /nfs/dbraw/zinc/58/22/29/884582229.db2.gz DWLIBFALDILJAT-CTNGQTDRSA-N 0 0 381.472 3.638 20 10 GHCDRN COc1ccc(N2CCN(c3ncc(F)c(-c4ccsc4)n3)CC2)cc1F ZINC000842030588 884602117 /nfs/dbraw/zinc/60/21/17/884602117.db2.gz GJVBEYAWCMQHQP-UHFFFAOYSA-N 0 0 388.443 3.819 20 10 GHCDRN Cc1cc(C(=O)Cn2cc(NC(=O)C(C)(C)C)cn2)c(C)n1-c1ccc(F)cn1 ZINC000842030343 884603481 /nfs/dbraw/zinc/60/34/81/884603481.db2.gz DBEUBIOVDAXXGL-UHFFFAOYSA-N 0 0 397.454 3.692 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2nccc(C)n2)c(C)n1-c1ccc(C)c(F)c1 ZINC000795799763 912844276 /nfs/dbraw/zinc/84/42/76/912844276.db2.gz TXUSQMYUORWKRB-UHFFFAOYSA-N 0 0 381.407 3.680 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000914728429 884632803 /nfs/dbraw/zinc/63/28/03/884632803.db2.gz VYAQYTPKICJSOL-LJQANCHMSA-N 0 0 379.504 3.543 20 10 GHCDRN CN(C)c1ccc(CN(C2CC2)S(=O)(=O)CCc2cccc(Cl)c2)cc1 ZINC000795804386 912848271 /nfs/dbraw/zinc/84/82/71/912848271.db2.gz YVEWTDSVPWPHFJ-UHFFFAOYSA-N 0 0 392.952 3.943 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2cccc(C(=O)N(C)C)c2)cc1 ZINC000914740344 884668182 /nfs/dbraw/zinc/66/81/82/884668182.db2.gz ANEBTAAFDJRMAF-UHFFFAOYSA-N 0 0 375.472 3.726 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)Nc1cnc2c(c1)CCCC2 ZINC000806403731 884686278 /nfs/dbraw/zinc/68/62/78/884686278.db2.gz NSJVXXRZQVIOIM-UHFFFAOYSA-N 0 0 376.254 3.750 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1 ZINC000117499941 884687165 /nfs/dbraw/zinc/68/71/65/884687165.db2.gz ZRUUQZMFTLXDFV-LJQANCHMSA-N 0 0 397.519 3.991 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)Nc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000860468106 884705228 /nfs/dbraw/zinc/70/52/28/884705228.db2.gz QAFMADYMHWYWOH-IAGOWNOFSA-N 0 0 383.492 3.632 20 10 GHCDRN O=S(=O)(NCc1ccc(N2CCSCC2)cc1)c1cccc(C(F)F)c1 ZINC000780709968 912853030 /nfs/dbraw/zinc/85/30/30/912853030.db2.gz MLOAIYFJOQETAH-UHFFFAOYSA-N 0 0 398.500 3.656 20 10 GHCDRN COc1ccc2c(c1NC(=O)NCc1cc(Br)ccc1O)CCC2 ZINC000806452982 884720406 /nfs/dbraw/zinc/72/04/06/884720406.db2.gz LKRNDAITIKKYJO-UHFFFAOYSA-N 0 0 391.265 3.974 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)n2ccc3ccccc3c2=O)cc1 ZINC000806510216 884756114 /nfs/dbraw/zinc/75/61/14/884756114.db2.gz LXIHOCQKKONPHC-KRWDZBQOSA-N 0 0 377.488 3.725 20 10 GHCDRN Cc1cc(I)cc(NC(=O)N(C)Cc2ccccc2O)c1 ZINC000806684581 884914153 /nfs/dbraw/zinc/91/41/53/884914153.db2.gz WRAPSPWHLFMUBW-UHFFFAOYSA-N 0 0 396.228 3.969 20 10 GHCDRN Cc1cc(C(=O)Nc2cccc(N3CCOC3=O)c2)c(C)n1-c1ccccn1 ZINC000914849425 884940297 /nfs/dbraw/zinc/94/02/97/884940297.db2.gz ZPEXMOOJLSPMDP-UHFFFAOYSA-N 0 0 376.416 3.698 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC[C@H](C3(C)OCCO3)C2)c1 ZINC000860780307 884995145 /nfs/dbraw/zinc/99/51/45/884995145.db2.gz IDJXBGBBHXASHH-FQEVSTJZSA-N 0 0 396.487 3.522 20 10 GHCDRN 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Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(Cc1ccccc1)CC(C)(C)C ZINC000807095934 885237798 /nfs/dbraw/zinc/23/77/98/885237798.db2.gz CLQAKIVPYJYLAY-UHFFFAOYSA-N 0 0 395.547 3.752 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@@H]2CC(C)(C)OC2=O)cc1 ZINC000762039559 885255931 /nfs/dbraw/zinc/25/59/31/885255931.db2.gz NBGNICVQGILKIW-GOSISDBHSA-N 0 0 380.448 3.992 20 10 GHCDRN COc1ccc(Cn2cc(NC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cn2)cc1 ZINC000807140745 885259857 /nfs/dbraw/zinc/25/98/57/885259857.db2.gz NETSYWIXNXWQHR-INIZCTEOSA-N 0 0 393.491 3.889 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCc1cccc(Cl)c1 ZINC000807164721 885271413 /nfs/dbraw/zinc/27/14/13/885271413.db2.gz PCHIZCMAEFBTQM-UHFFFAOYSA-N 0 0 387.911 3.561 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000807243180 885322942 /nfs/dbraw/zinc/32/29/42/885322942.db2.gz OELUAHBYZYGZRE-GOSISDBHSA-N 0 0 382.504 3.749 20 10 GHCDRN CCC(=O)c1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000861442724 885507393 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/nfs/dbraw/zinc/67/28/13/886672813.db2.gz KSVCFPJDGAITIN-KRWDZBQOSA-N 0 0 385.420 3.822 20 10 GHCDRN Cc1cc(C(=O)N2C[C@](C)(CO)[C@](C)(CO)C2)c(C)n1-c1cccc(C(C)C)c1 ZINC000863000226 886802856 /nfs/dbraw/zinc/80/28/56/886802856.db2.gz XTGIXOWYTRGVQZ-PSWAGMNNSA-N 0 0 398.547 3.671 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H]3c3ccc(=O)[nH]n3)c2C)cc1 ZINC000863056664 886859522 /nfs/dbraw/zinc/85/95/22/886859522.db2.gz VTGAXISKAHCAOY-HXUWFJFHSA-N 0 0 392.459 3.576 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cc(F)c(F)c(F)c1 ZINC000119248254 886867178 /nfs/dbraw/zinc/86/71/78/886867178.db2.gz UUTJJBWOOJTMMQ-UHFFFAOYSA-N 0 0 381.423 3.979 20 10 GHCDRN C[C@@H](Sc1ccncc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000119318281 886898644 /nfs/dbraw/zinc/89/86/44/886898644.db2.gz PZUOIQCZPMQHHW-CYBMUJFWSA-N 0 0 388.448 3.976 20 10 GHCDRN Cc1cc(CNC(=O)C2CCC(NC(=O)C3CC3)CC2)c(C)n1-c1ccccc1 ZINC000863164586 886900375 /nfs/dbraw/zinc/90/03/75/886900375.db2.gz OVLCFWSXJAFLSH-UHFFFAOYSA-N 0 0 393.531 3.795 20 10 GHCDRN COC(=O)[C@H](NCc1cc(OC)cc(C(C)(C)C)c1O)c1ccccc1F ZINC000825563093 886970130 /nfs/dbraw/zinc/97/01/30/886970130.db2.gz SQIKMMSONLDXBL-GOSISDBHSA-N 0 0 375.440 3.841 20 10 GHCDRN CC(C)(C)CNC(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000863278865 886998089 /nfs/dbraw/zinc/99/80/89/886998089.db2.gz OIGWROPWSYOWIT-QGZVFWFLSA-N 0 0 387.549 3.984 20 10 GHCDRN COc1cccc2c1CC[C@@H]2NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000119408119 887047647 /nfs/dbraw/zinc/04/76/47/887047647.db2.gz OZHQDIAYJWYRJS-FQEVSTJZSA-N 0 0 397.544 3.735 20 10 GHCDRN C[C@H](SCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000863377426 887070529 /nfs/dbraw/zinc/07/05/29/887070529.db2.gz SIUGSEGRBKBKAR-INIZCTEOSA-N 0 0 388.508 3.773 20 10 GHCDRN Cc1cc(C(=O)CSCCC(N)=O)c(C)n1-c1cccc(Br)c1 ZINC000863384405 887075834 /nfs/dbraw/zinc/07/58/34/887075834.db2.gz STAFMBFNIYQKSY-UHFFFAOYSA-N 0 0 395.322 3.648 20 10 GHCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(Oc3ccccc3)c2)cc1 ZINC000119456880 887112375 /nfs/dbraw/zinc/11/23/75/887112375.db2.gz YKGQLXVCPVLFOO-UHFFFAOYSA-N 0 0 389.455 3.800 20 10 GHCDRN CC1(CNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCC1 ZINC000176631207 887198360 /nfs/dbraw/zinc/19/83/60/887198360.db2.gz RVIHRFCITYSEQM-UHFFFAOYSA-N 0 0 385.430 3.531 20 10 GHCDRN C[C@@H]([NH2+][C@@H]1CC[C@@H](C)NC1)c1cc(Br)cc(Br)c1[O-] ZINC000863546698 887205177 /nfs/dbraw/zinc/20/51/77/887205177.db2.gz MYRFRTYDRKSGGT-FXPVBKGRSA-N 0 0 392.135 3.708 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)cc2)CC1 ZINC000163418313 887295543 /nfs/dbraw/zinc/29/55/43/887295543.db2.gz KAKVRGCAPPIFJT-NJYVYQBISA-N 0 0 383.536 3.680 20 10 GHCDRN CC(C)n1cc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cn1 ZINC000747556705 887364110 /nfs/dbraw/zinc/36/41/10/887364110.db2.gz QRPHMLTZYZAQGG-GJZGRUSLSA-N 0 0 389.475 3.538 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(-c2ccccc2O)n[nH]1 ZINC000863942470 887475021 /nfs/dbraw/zinc/47/50/21/887475021.db2.gz XJDLJLAAHKVXFA-UHFFFAOYSA-N 0 0 378.476 3.899 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3scnc3C3CC3)CC2)cc1F ZINC000762982430 887480105 /nfs/dbraw/zinc/48/01/05/887480105.db2.gz VMDWBJJDBZYTAL-UHFFFAOYSA-N 0 0 376.457 3.522 20 10 GHCDRN COC(=O)CN(Cc1ccc(OC)c(OC)c1C)Cc1cc(Cl)ccc1O ZINC000809572665 887551890 /nfs/dbraw/zinc/55/18/90/887551890.db2.gz QMYXROUGLUJVHE-UHFFFAOYSA-N 0 0 393.867 3.546 20 10 GHCDRN CCN(Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@@H](C)CS(C)(=O)=O ZINC000809576230 887553212 /nfs/dbraw/zinc/55/32/12/887553212.db2.gz SDHDIEZHRUIGPC-SFHVURJKSA-N 0 0 386.561 3.504 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3cc(F)cc4ccoc43)CC2)c(OC)c1 ZINC001131806273 887656367 /nfs/dbraw/zinc/65/63/67/887656367.db2.gz DQNFQZSCHMYKEF-UHFFFAOYSA-N 0 0 384.407 3.552 20 10 GHCDRN COc1c(O)c(CNc2ccc(F)cc2OC2CCOCC2)ccc1[N+](=O)[O-] ZINC000809695221 887672188 /nfs/dbraw/zinc/67/21/88/887672188.db2.gz DBHMTVOILXRMLN-UHFFFAOYSA-N 0 0 392.383 3.618 20 10 GHCDRN C[NH+](C)CCN(Cc1cccc(Br)c1[O-])Cc1ccccc1F ZINC000809732471 887713001 /nfs/dbraw/zinc/71/30/01/887713001.db2.gz KPLZNXHTFXODDM-UHFFFAOYSA-N 0 0 381.289 3.858 20 10 GHCDRN O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])OCCO2 ZINC000809776147 887766174 /nfs/dbraw/zinc/76/61/74/887766174.db2.gz WHYNOBOQGGLWDJ-UHFFFAOYSA-N 0 0 385.203 3.668 20 10 GHCDRN CN(C)c1cc(F)c(C[NH2+]C[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])cc1F ZINC000864504179 887808242 /nfs/dbraw/zinc/80/82/42/887808242.db2.gz BPKDJOTYSBRCRE-CQSZACIVSA-N 0 0 382.838 3.717 20 10 GHCDRN O=C(/C=C/c1cnccn1)N1CCCc2cc(Br)cc(Cl)c21 ZINC000729660342 887916648 /nfs/dbraw/zinc/91/66/48/887916648.db2.gz WENQCOZPEGRRRA-ONEGZZNKSA-N 0 0 378.657 3.885 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2nc([C@@H](C)OC)ns2)cc1 ZINC000809924211 887975211 /nfs/dbraw/zinc/97/52/11/887975211.db2.gz JADRAKGIWVTMNC-CYBMUJFWSA-N 0 0 377.514 3.756 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000747583064 888013084 /nfs/dbraw/zinc/01/30/84/888013084.db2.gz GKJLPWUEOSTMNH-CHAGWJKLSA-N 0 0 387.549 3.701 20 10 GHCDRN CN(C)c1nc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cs1 ZINC000747588661 888146817 /nfs/dbraw/zinc/14/68/17/888146817.db2.gz HGWVDBQFNIILRC-UHFFFAOYSA-N 0 0 387.553 3.541 20 10 GHCDRN CN(C)c1ccc(CNC(=O)c2cc(Cl)ncc2Br)cc1F ZINC000810265796 888330002 /nfs/dbraw/zinc/33/00/02/888330002.db2.gz OJHKOZOSGHTQMT-UHFFFAOYSA-N 0 0 386.652 3.633 20 10 GHCDRN CC[C@@H]1[C@H](C(=O)NCc2ccc(N(C)C)c(F)c2)CCN1C(=O)OC(C)(C)C ZINC000810265528 888330502 /nfs/dbraw/zinc/33/05/02/888330502.db2.gz GATSDIITDUQJMQ-NVXWUHKLSA-N 0 0 393.503 3.544 20 10 GHCDRN COc1cc(F)c(F)cc1NC(=O)NCc1cccc(Br)c1O ZINC000810269694 888333938 /nfs/dbraw/zinc/33/39/38/888333938.db2.gz CHBAEDQQQHPMLL-UHFFFAOYSA-N 0 0 387.180 3.763 20 10 GHCDRN COc1ccc(C[C@@](C)(O)C[NH2+][C@@H](C)c2cc(Cl)ccc2O)cc1OC ZINC000810255354 888358643 /nfs/dbraw/zinc/35/86/43/888358643.db2.gz JSAGLFOWWKHTCL-RNODOKPDSA-N 0 0 379.884 3.707 20 10 GHCDRN COc1cc(F)c(F)cc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000810272521 888370549 /nfs/dbraw/zinc/37/05/49/888370549.db2.gz GQKMXEPNRZFKBX-ZDUSSCGKSA-N 0 0 391.418 3.693 20 10 GHCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1cc(F)c(F)cc1N1CCCCC1 ZINC000810309219 888413377 /nfs/dbraw/zinc/41/33/77/888413377.db2.gz MAXCVJKRBMIAQR-UHFFFAOYSA-N 0 0 391.418 3.731 20 10 GHCDRN CC(C)(C)c1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000763283135 888440084 /nfs/dbraw/zinc/44/00/84/888440084.db2.gz UKNYUXZZVLQVNX-UHFFFAOYSA-N 0 0 376.497 3.951 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc2ccccc2c(=O)n1C ZINC000794852266 888459227 /nfs/dbraw/zinc/45/92/27/888459227.db2.gz MVZUBHMBUBDMHC-UHFFFAOYSA-N 0 0 389.499 3.801 20 10 GHCDRN CC[C@@H]1[C@H](C(=O)NCCCSc2nccs2)CCN1C(=O)OC(C)(C)C ZINC000810398531 888464639 /nfs/dbraw/zinc/46/46/39/888464639.db2.gz MMNPNRXFNMJYPN-ZIAGYGMSSA-N 0 0 399.582 3.777 20 10 GHCDRN Cc1cc(CNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)c(C)n1-c1cccc(C)c1 ZINC001132264579 888487480 /nfs/dbraw/zinc/48/74/80/888487480.db2.gz WVYRVXPFMHEVNV-BHDDXSALSA-N 0 0 393.531 3.714 20 10 GHCDRN CC(=O)N[C@H](C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C)C1CCCC1 ZINC001132264397 888487781 /nfs/dbraw/zinc/48/77/81/888487781.db2.gz POIHDTNRLUPTHT-QFIPXVFZSA-N 0 0 381.520 3.714 20 10 GHCDRN CCN(CCc1nccs1)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000163431145 888520529 /nfs/dbraw/zinc/52/05/29/888520529.db2.gz AMZFHTHQBMALNE-UHFFFAOYSA-N 0 0 378.517 3.903 20 10 GHCDRN Cc1cc(Br)c(O)c(CNCc2ncc(Br)s2)c1 ZINC000865849964 888609441 /nfs/dbraw/zinc/60/94/41/888609441.db2.gz STJFHXVDWUMVKN-UHFFFAOYSA-N 0 0 392.116 3.972 20 10 GHCDRN CN(C)c1cccc(C(=O)Nc2ccc(NC(=O)Nc3ccc(N)cc3)cc2)n1 ZINC001184529201 913262903 /nfs/dbraw/zinc/26/29/03/913262903.db2.gz MLIJGDJUXYOXED-UHFFFAOYSA-N 0 0 390.447 3.626 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(C)c(S(C)(=O)=O)c2)cc1 ZINC000916041790 888654238 /nfs/dbraw/zinc/65/42/38/888654238.db2.gz JKIKYALAUMKFOY-UHFFFAOYSA-N 0 0 388.533 3.517 20 10 GHCDRN COc1ccc2c(c1)C(=O)N(C)[C@H](c1ccc(N(C)C)cc1C(F)(F)F)N2 ZINC000794896312 888723534 /nfs/dbraw/zinc/72/35/34/888723534.db2.gz PMONWQJGUHHNRW-QGZVFWFLSA-N 0 0 379.382 3.976 20 10 GHCDRN O=C(NCCCSc1nccs1)NCc1nc(C(F)(F)F)cs1 ZINC000153841402 888727848 /nfs/dbraw/zinc/72/78/48/888727848.db2.gz SALRIPRIJWTXQE-UHFFFAOYSA-N 0 0 382.458 3.600 20 10 GHCDRN CCOC1CC2(C[C@H]2C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000866138836 888749086 /nfs/dbraw/zinc/74/90/86/888749086.db2.gz PFOVNBHMPAZAER-KWGJUECJSA-N 0 0 394.462 3.578 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3C[C@H]3C3CCOCC3)ccc21 ZINC001132415585 888813464 /nfs/dbraw/zinc/81/34/64/888813464.db2.gz AMLAJEJCHDQEOU-FPOVZHCZSA-N 0 0 384.520 3.697 20 10 GHCDRN O=C1/C(=C/c2ccc(Cl)cc2-n2cncn2)SC(=S)N1c1cccnc1 ZINC000794930547 888929527 /nfs/dbraw/zinc/92/95/27/888929527.db2.gz FFNIGZCREMCDRL-UUASQNMZSA-N 0 0 399.888 3.722 20 10 GHCDRN CC(=O)N1CCN(c2ccc(N[C@@H]3C[C@H](C)c4c3c(O)ccc4F)cc2)CC1 ZINC000866625903 888976029 /nfs/dbraw/zinc/97/60/29/888976029.db2.gz IMGAGJAGPUOZRS-IFXJQAMLSA-N 0 0 383.467 3.860 20 10 GHCDRN C[C@@H](Nc1cccc2c1NC(=O)CO2)c1ccc(N2CCOCC2)cc1Cl ZINC000866633623 888986228 /nfs/dbraw/zinc/98/62/28/888986228.db2.gz WXLJBQPFBROPHL-CYBMUJFWSA-N 0 0 387.867 3.681 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2cn(-c3ccc(Cl)cc3)nn2)cc1 ZINC000916502221 889074578 /nfs/dbraw/zinc/07/45/78/889074578.db2.gz GDPURMVFZGRTQX-UHFFFAOYSA-N 0 0 383.883 3.697 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)cc1 ZINC000916502894 889076026 /nfs/dbraw/zinc/07/60/26/889076026.db2.gz AHOOYJXUCVSDLY-JOCHJYFZSA-N 0 0 393.531 3.844 20 10 GHCDRN CC(C)(C)c1cc(O)c(O)c(CN2CCN(CCOc3ccccc3)CC2)c1 ZINC000916567809 889143251 /nfs/dbraw/zinc/14/32/51/889143251.db2.gz RQWTYZWRRYMDEI-UHFFFAOYSA-N 0 0 384.520 3.592 20 10 GHCDRN Cc1ccccc1CN1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000916588355 889148097 /nfs/dbraw/zinc/14/80/97/889148097.db2.gz JVCWRNPGJUNSRL-UHFFFAOYSA-N 0 0 392.547 3.623 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@@H]1c1cccnc1 ZINC000916625637 889180433 /nfs/dbraw/zinc/18/04/33/889180433.db2.gz LAMSULZYBWZOQA-HXUWFJFHSA-N 0 0 382.533 3.682 20 10 GHCDRN O=C(c1cc(-c2ccccc2)on1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000121848979 889181636 /nfs/dbraw/zinc/18/16/36/889181636.db2.gz MVSVEKJJNXBEQW-SFHVURJKSA-N 0 0 378.428 3.869 20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc4c(c3)CCO4)cc2F)C[C@H](C)O1 ZINC000916679750 889309964 /nfs/dbraw/zinc/30/99/64/889309964.db2.gz BWQDDZXUCUYQJK-GJZGRUSLSA-N 0 0 399.466 3.696 20 10 GHCDRN Cc1cc(N)cc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 ZINC000868194363 889347662 /nfs/dbraw/zinc/34/76/62/889347662.db2.gz QYIKUBRVVYPNEC-UHFFFAOYSA-N 0 0 390.434 3.969 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N3CCC[C@H]3c3cncc(C)c3)C2)cc1 ZINC000868720253 889569042 /nfs/dbraw/zinc/56/90/42/889569042.db2.gz JESDYNKCLXDSCM-GCJKJVERSA-N 0 0 394.519 3.772 20 10 GHCDRN CC(C)OC[C@H](O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000122425929 889763052 /nfs/dbraw/zinc/76/30/52/889763052.db2.gz MCISRSFFEJLGJN-ROUUACIJSA-N 0 0 376.522 3.607 20 10 GHCDRN Cc1cc(C(=O)Nc2cccc3c2OCC(=O)N3)c(C)n1-c1ccc(F)cc1 ZINC000811597524 889775341 /nfs/dbraw/zinc/77/53/41/889775341.db2.gz PMYAPRGIYVZPCC-UHFFFAOYSA-N 0 0 379.391 3.816 20 10 GHCDRN O=C(NCCc1ccc(O)c(O)c1)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000122613673 889966059 /nfs/dbraw/zinc/96/60/59/889966059.db2.gz HBDCIWHDFMZSDT-UHFFFAOYSA-N 0 0 392.242 3.563 20 10 GHCDRN O=C(NC1CC1)c1ccc(NCc2c(O)ccc3c2CCCC3)c([N+](=O)[O-])c1 ZINC000811809060 889993822 /nfs/dbraw/zinc/99/38/22/889993822.db2.gz WORQZMMVGKTICU-UHFFFAOYSA-N 0 0 381.432 3.684 20 10 GHCDRN COC(=O)/C=C/c1ccc(N2Cc3ccc(OC)cc3C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000811862970 890060167 /nfs/dbraw/zinc/06/01/67/890060167.db2.gz LNCZVJFJDIKJJW-XBXARRHUSA-N 0 0 394.427 3.841 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CC[C@@]3(C2)CCc2ccccc2O3)cc1F ZINC000812019021 890210401 /nfs/dbraw/zinc/21/04/01/890210401.db2.gz UXJRBQSXJIIFGM-JOCHJYFZSA-N 0 0 383.467 3.571 20 10 GHCDRN CN(C)C(=O)Cc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000916842647 890283237 /nfs/dbraw/zinc/28/32/37/890283237.db2.gz SZOLMHGKNICLKW-UHFFFAOYSA-N 0 0 396.491 3.828 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1onc2c1CCCC2 ZINC000830151387 890356879 /nfs/dbraw/zinc/35/68/79/890356879.db2.gz WJGIRUKEMKJHDR-UHFFFAOYSA-N 0 0 379.254 3.684 20 10 GHCDRN CCNC(=O)COc1cccc(C[NH2+][C@H](CC)c2cccc(Cl)c2[O-])c1 ZINC000287615141 913446017 /nfs/dbraw/zinc/44/60/17/913446017.db2.gz JMCMLYJBAUQBDY-GOSISDBHSA-N 0 0 376.884 3.801 20 10 GHCDRN CCOCCCn1c(Cc2ccccc2F)nnc1N(C)Cc1ccccc1O ZINC000812192660 890401859 /nfs/dbraw/zinc/40/18/59/890401859.db2.gz LQSKEUFEZGHXPV-UHFFFAOYSA-N 0 0 398.482 3.777 20 10 GHCDRN Oc1ccc(Br)cc1CNC(=S)NCCSc1ccccc1 ZINC000795153039 890603027 /nfs/dbraw/zinc/60/30/27/890603027.db2.gz AMGNESGQBYVPTH-UHFFFAOYSA-N 0 0 397.363 3.911 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc(CC2CCCC2)n1C[C@H]1CCCCO1 ZINC000812439482 890631993 /nfs/dbraw/zinc/63/19/93/890631993.db2.gz WOOOAVVDSLGKKA-LJQANCHMSA-N 0 0 384.524 3.922 20 10 GHCDRN C[C@@H](CC(=O)NCCc1ccc(O)c(O)c1)c1ccc(F)c(Br)c1 ZINC000812536208 890724824 /nfs/dbraw/zinc/72/48/24/890724824.db2.gz TXDHWHAYPMCKSJ-NSHDSACASA-N 0 0 396.256 3.852 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nc(C)c(Br)s1 ZINC001184891043 913486126 /nfs/dbraw/zinc/48/61/26/913486126.db2.gz ZHMKFBVAAFUGBP-UHFFFAOYSA-N 0 0 382.327 3.942 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2ncn(C(C)(C)C)n2)c(C)n1-c1cccc(C)c1 ZINC000812694883 890872429 /nfs/dbraw/zinc/87/24/29/890872429.db2.gz KGERRNJCOWFXAT-UHFFFAOYSA-N 0 0 394.475 3.789 20 10 GHCDRN CN(C)c1ccc(CN(CC(=O)Nc2ccc3c(c2)OCCCO3)C2CC2)cc1 ZINC000917073933 890963811 /nfs/dbraw/zinc/96/38/11/890963811.db2.gz IMQKAZHGGQQVKK-UHFFFAOYSA-N 0 0 395.503 3.517 20 10 GHCDRN COc1ccc(-c2noc(CN(Cc3ccc(N(C)C)cc3)C3CC3)n2)cc1 ZINC000917074026 890964177 /nfs/dbraw/zinc/96/41/77/890964177.db2.gz NLDOQWZQHLEMRO-UHFFFAOYSA-N 0 0 378.476 3.976 20 10 GHCDRN C[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccc(N2CCCNC2=O)cc1 ZINC000812801812 890997007 /nfs/dbraw/zinc/99/70/07/890997007.db2.gz OIKGPUUJXYUHAB-GFCCVEGCSA-N 0 0 377.847 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Nc1ccc(NC(=O)Nc2ccc(NC(=O)C34CCC(O)(CC3)CC4)cc2)cc1 ZINC001185283387 913780426 /nfs/dbraw/zinc/78/04/26/913780426.db2.gz OYMQRPQGIRYYEW-UHFFFAOYSA-N 0 0 394.475 3.937 20 10 GHCDRN CS[C@H]1CCCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000126452577 893556983 /nfs/dbraw/zinc/55/69/83/893556983.db2.gz QSGVIUDLQYLFMA-SFHVURJKSA-N 0 0 379.595 3.667 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)CCC(=O)c3ccc(C)cc3)CC2)cc1 ZINC000918369907 893557284 /nfs/dbraw/zinc/55/72/84/893557284.db2.gz WAZYIOJGQLBPBG-UHFFFAOYSA-N 0 0 380.488 3.705 20 10 GHCDRN CCOP(=O)(CCC[NH2+]Cc1cccc(Br)c1[O-])OCC ZINC000877478133 893635138 /nfs/dbraw/zinc/63/51/38/893635138.db2.gz BEJFSBKSKSYLFT-UHFFFAOYSA-N 0 0 380.219 3.901 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)[C@H]3CCc4cccc(OC)c43)CC2)cc1 ZINC000815259365 893645436 /nfs/dbraw/zinc/64/54/36/893645436.db2.gz UBBRKPHUZYUVRP-FQEVSTJZSA-N 0 0 380.488 3.519 20 10 GHCDRN O=C1CN(Cc2ccccc2)[C@@H](c2ccc3c(c2)CCN3Cc2ccccc2)N1 ZINC000877854378 893856064 /nfs/dbraw/zinc/85/60/64/893856064.db2.gz MREYVJXTXBLSJF-VWLOTQADSA-N 0 0 383.495 3.880 20 10 GHCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)Cn1cnc2ccc(F)cc21 ZINC001185329775 913817557 /nfs/dbraw/zinc/81/75/57/913817557.db2.gz LOHICMHKJGHTCG-JXENRQPZSA-N 0 0 389.394 3.794 20 10 GHCDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1Nc1ccc(OCCO)cc1 ZINC001185378461 913827548 /nfs/dbraw/zinc/82/75/48/913827548.db2.gz WDBNEOPUJGUWFJ-UHFFFAOYSA-N 0 0 378.384 3.941 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)[C@H](C)c1nc(C(=O)OC)co1 ZINC000878154603 894055419 /nfs/dbraw/zinc/05/54/19/894055419.db2.gz ZOCYRWSLGFOYAW-SNVBAGLBSA-N 0 0 383.242 3.512 20 10 GHCDRN COc1cccc(CNC(=O)c2cccc3c2CCN3C(=O)OC(C)(C)C)c1O ZINC000934940598 894056292 /nfs/dbraw/zinc/05/62/92/894056292.db2.gz QNNKAUZPOYKWTP-UHFFFAOYSA-N 0 0 398.459 3.628 20 10 GHCDRN C[C@@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)c1cccc(C(F)(F)F)c1[O-] ZINC000815626041 894057173 /nfs/dbraw/zinc/05/71/73/894057173.db2.gz SWUFONOVFPRGSX-GFCCVEGCSA-N 0 0 392.377 3.748 20 10 GHCDRN CSc1ccc([C@@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])N(C)C)cc1 ZINC000815660220 894074862 /nfs/dbraw/zinc/07/48/62/894074862.db2.gz UMGGVIOOUGTYBO-SCLBCKFNSA-N 0 0 375.494 3.976 20 10 GHCDRN CC(C)(C)c1n[nH]cc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000815715458 894151198 /nfs/dbraw/zinc/15/11/98/894151198.db2.gz IHTLYUVLTZWWKR-CYBMUJFWSA-N 0 0 392.450 3.707 20 10 GHCDRN CC(C)(CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)CC(F)(F)F ZINC000878300767 894177248 /nfs/dbraw/zinc/17/72/48/894177248.db2.gz NNKNMZNUNFVNFD-UHFFFAOYSA-N 0 0 386.458 3.880 20 10 GHCDRN COc1cc(F)c([C@@H](C)NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1OC ZINC000127050183 894207538 /nfs/dbraw/zinc/20/75/38/894207538.db2.gz NSHUBFBGDWCXJQ-OAHLLOKOSA-N 0 0 399.466 3.780 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(Br)cc(N(C)C)c2)c1 ZINC000815835096 894245458 /nfs/dbraw/zinc/24/54/58/894245458.db2.gz JXGXDQATTQACKX-NSHDSACASA-N 0 0 393.281 3.720 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cncc2[nH]ccc21 ZINC000878633438 894472322 /nfs/dbraw/zinc/47/23/22/894472322.db2.gz OCGWGWZSNHWCOC-UHFFFAOYSA-N 0 0 386.402 3.563 20 10 GHCDRN O=S(=O)(NCc1ccc(Br)cc1O)c1cc2ccccc2s1 ZINC001185481307 913900909 /nfs/dbraw/zinc/90/09/09/913900909.db2.gz LCSXJHOMRPLSPT-UHFFFAOYSA-N 0 0 398.303 3.848 20 10 GHCDRN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])C1CCN(CCc2ccccn2)CC1 ZINC000816498533 894878723 /nfs/dbraw/zinc/87/87/23/894878723.db2.gz YYLMXCUJSXKRDZ-UHFFFAOYSA-N 0 0 377.891 3.719 20 10 GHCDRN Oc1c(CN2CCn3c(CCc4ccccc4)nnc3C2)ccc2ccccc21 ZINC000816515011 894892443 /nfs/dbraw/zinc/89/24/43/894892443.db2.gz MSWLAONXZHLMPB-UHFFFAOYSA-N 0 0 384.483 3.938 20 10 GHCDRN Cc1ccc(C(=O)N2CCC([NH2+]Cc3cc(Cl)c(F)cc3[O-])CC2)cc1 ZINC000816546851 894916750 /nfs/dbraw/zinc/91/67/50/894916750.db2.gz YNHUHHXDSPOPDA-UHFFFAOYSA-N 0 0 376.859 3.888 20 10 GHCDRN COc1ccc([C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])N(C)C)cc1OC ZINC000816529228 894928003 /nfs/dbraw/zinc/92/80/03/894928003.db2.gz LCAQNEJXZYUBDQ-MRXNPFEDSA-N 0 0 382.863 3.594 20 10 GHCDRN COc1ccc(C[C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(OC)c3[O-])C2)cc1 ZINC000774885128 913921454 /nfs/dbraw/zinc/92/14/54/913921454.db2.gz IWQQEZAZNCHUAP-MRXNPFEDSA-N 0 0 386.448 3.772 20 10 GHCDRN CC(=O)N1CC[C@@H](CNC(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)C1 ZINC000816638672 894985320 /nfs/dbraw/zinc/98/53/20/894985320.db2.gz UOYGQDGRWDVECS-IBGZPJMESA-N 0 0 381.520 3.816 20 10 GHCDRN C[C@H](CNc1ccccc1)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000127727415 895044906 /nfs/dbraw/zinc/04/49/06/895044906.db2.gz ZANRUOFNHGYYOU-QGZVFWFLSA-N 0 0 384.549 3.540 20 10 GHCDRN C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000127783422 895082024 /nfs/dbraw/zinc/08/20/24/895082024.db2.gz PFLAOECSHRNLIA-HNNXBMFYSA-N 0 0 394.450 3.543 20 10 GHCDRN Cc1nc(C(=O)NCc2ccc(N3CCCC3)cc2)c(Br)s1 ZINC000816865871 895139568 /nfs/dbraw/zinc/13/95/68/895139568.db2.gz AINAGYKXDOWVAQ-UHFFFAOYSA-N 0 0 380.311 3.744 20 10 GHCDRN CCN(Cc1ccc2c(c1)OCO2)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000127933124 895230859 /nfs/dbraw/zinc/23/08/59/895230859.db2.gz NXWDLIDAJSIUFV-UHFFFAOYSA-N 0 0 379.460 3.523 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc2c(c1)C(=O)CCCC2 ZINC000817349291 895512392 /nfs/dbraw/zinc/51/23/92/895512392.db2.gz PQXAZDXCCVOSNY-UHFFFAOYSA-N 0 0 393.487 3.754 20 10 GHCDRN CN(C)S(=O)(=O)c1ccc(COc2ccc(N3CCCCC3)c(Cl)c2)o1 ZINC000817381674 895556488 /nfs/dbraw/zinc/55/64/88/895556488.db2.gz IYHCTQAZETUMPY-UHFFFAOYSA-N 0 0 398.912 3.753 20 10 GHCDRN COCCCCC(=O)Nc1ccc(N(C)CCN(C)c2ccc(N)cc2)cc1 ZINC001185626641 913998399 /nfs/dbraw/zinc/99/83/99/913998399.db2.gz GCZCUUAJBSESOT-UHFFFAOYSA-N 0 0 384.524 3.597 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccn(CCF)n2)cc1 ZINC000880769141 895856952 /nfs/dbraw/zinc/85/69/52/895856952.db2.gz JQOMWOZXXYNMCQ-UHFFFAOYSA-N 0 0 385.443 3.746 20 10 GHCDRN CN(C(=O)NCc1ccc(N2CCSCC2)cc1)C1CC(OC(C)(C)C)C1 ZINC000817772091 895869208 /nfs/dbraw/zinc/86/92/08/895869208.db2.gz XMWWOKSIDKNVGN-UHFFFAOYSA-N 0 0 391.581 3.727 20 10 GHCDRN Cc1cc(CCNC(=O)N2CC[C@H](O)CC23CCC3)c(C)n1-c1ccccc1 ZINC000817771810 895869537 /nfs/dbraw/zinc/86/95/37/895869537.db2.gz RTTGMFWVUBIXCJ-NRFANRHFSA-N 0 0 381.520 3.726 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NC(C)(C)c2cn(C(C)C)nn2)cc1F ZINC000817774513 895870717 /nfs/dbraw/zinc/87/07/17/895870717.db2.gz MZHUPFQOZRXAAE-UHFFFAOYSA-N 0 0 390.507 3.579 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1nnc([C@@H]2CCCO2)s1 ZINC000880882428 895960727 /nfs/dbraw/zinc/96/07/27/895960727.db2.gz DDLUADOCVADRKQ-CJNGLKHVSA-N 0 0 389.525 3.517 20 10 GHCDRN C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cc(Br)c(F)cc1[O-] ZINC000817939355 895968786 /nfs/dbraw/zinc/96/87/86/895968786.db2.gz BFOBJFNXJWCZIH-APPDUMDISA-N 0 0 396.304 3.710 20 10 GHCDRN CCO[C@H]1C[C@@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C12CCCC2 ZINC000817946321 895973927 /nfs/dbraw/zinc/97/39/27/895973927.db2.gz WQQIGZPZJSQCCV-MSOLQXFVSA-N 0 0 385.533 3.784 20 10 GHCDRN C[C@@H]([NH2+]C[C@H]1NCCc2ccccc21)c1cc(Br)cc(F)c1[O-] ZINC000817973973 895990258 /nfs/dbraw/zinc/99/02/58/895990258.db2.gz HVKMNBQBFXYWOC-PIGZYNQJSA-N 0 0 379.273 3.831 20 10 GHCDRN O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc(F)c(Cl)c1 ZINC000302833776 914024140 /nfs/dbraw/zinc/02/41/40/914024140.db2.gz QUVWLDGBQGEDOG-INIZCTEOSA-N 0 0 392.858 3.804 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cscc1Cl ZINC000880977795 896043345 /nfs/dbraw/zinc/04/33/45/896043345.db2.gz ASPICRVAWVWYMT-UHFFFAOYSA-N 0 0 379.913 3.932 20 10 GHCDRN CC(=O)c1cc(F)cc(Cn2cc(CN[C@H]3CCCc4ccccc43)nn2)c1O ZINC000880996544 896055630 /nfs/dbraw/zinc/05/56/30/896055630.db2.gz VYSATUNNVZAOMN-NRFANRHFSA-N 0 0 394.450 3.541 20 10 GHCDRN O=C(NCc1ccccc1O)c1ccc(Br)cc1Br ZINC000218778402 896106177 /nfs/dbraw/zinc/10/61/77/896106177.db2.gz PPVVMRAOYCSFTB-UHFFFAOYSA-N 0 0 385.055 3.847 20 10 GHCDRN Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000818556311 896204888 /nfs/dbraw/zinc/20/48/88/896204888.db2.gz KNMWSVRCKZMLTI-FPOVZHCZSA-N 0 0 376.460 3.788 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)Nc3cnc4c(c3)c(C)nn4C)c2C)cc1 ZINC000818610584 896236374 /nfs/dbraw/zinc/23/63/74/896236374.db2.gz KKPGHNRGCUSVQS-UHFFFAOYSA-N 0 0 389.459 3.945 20 10 GHCDRN COC1CCN(c2ccc(Cn3cc(-c4ccccc4C(C)=O)nn3)cc2)CC1 ZINC000881380577 896315645 /nfs/dbraw/zinc/31/56/45/896315645.db2.gz UFFABWMXTINMIU-UHFFFAOYSA-N 0 0 390.487 3.811 20 10 GHCDRN O=C1CN(Cc2ccccc2O)C(=O)N1c1cccc(CCC(F)(F)F)c1 ZINC000819008470 896325825 /nfs/dbraw/zinc/32/58/25/896325825.db2.gz SCANAEYAVALZSJ-UHFFFAOYSA-N 0 0 378.350 3.856 20 10 GHCDRN CCCCOc1ccc(CCN2C(=O)CN(Cc3ccccc3O)C2=O)cc1 ZINC000819164341 896438446 /nfs/dbraw/zinc/43/84/46/896438446.db2.gz HGPHVFGGOVTDTE-UHFFFAOYSA-N 0 0 382.460 3.578 20 10 GHCDRN Cc1cc(F)cc(-n2nc(C(=O)N(C)Cc3ccccc3O)c3c2CCC3)c1 ZINC000819382185 896654486 /nfs/dbraw/zinc/65/44/86/896654486.db2.gz LBRSIPVUQGFQOT-UHFFFAOYSA-N 0 0 379.435 3.786 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)cc1F ZINC000129473518 896675716 /nfs/dbraw/zinc/67/57/16/896675716.db2.gz PGAANYMWZSFJPM-FXAWDEMLSA-N 0 0 385.483 3.859 20 10 GHCDRN COC[C@H](O)CNc1ccc(Nc2ccc(F)cc2F)c(Br)c1 ZINC000819461841 896773720 /nfs/dbraw/zinc/77/37/20/896773720.db2.gz FWAQRGNQHFYSTC-GFCCVEGCSA-N 0 0 387.224 3.890 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3ccc(OC(F)F)cc3)C2)cc1 ZINC000819581115 896823678 /nfs/dbraw/zinc/82/36/78/896823678.db2.gz UHMZWTFORGJEMN-AWEZNQCLSA-N 0 0 376.403 3.553 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3nc(Cl)ccc3Cl)C2)cc1 ZINC000819580872 896823749 /nfs/dbraw/zinc/82/37/49/896823749.db2.gz PHPQERGZVGPWRF-GFCCVEGCSA-N 0 0 380.275 3.653 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)C[C@H]3CCc4ccccc4C3)C2)cc1 ZINC000819581747 896824867 /nfs/dbraw/zinc/82/48/67/896824867.db2.gz DUFZGGGKLUMUQV-OALUTQOASA-N 0 0 378.516 3.833 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)/C=C/c3ccnc4ccccc34)C2)cc1 ZINC000819584103 896831552 /nfs/dbraw/zinc/83/15/52/896831552.db2.gz DEYMRMBVMWSGGE-QKIXSCASSA-N 0 0 387.483 3.899 20 10 GHCDRN CCCOc1cccc(CC(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)c1 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CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C ZINC000069873912 901134383 /nfs/dbraw/zinc/13/43/83/901134383.db2.gz CSKFGMUXCBODSB-GOSISDBHSA-N 0 0 385.512 3.942 20 10 GHCDRN CC(C)c1nc([C@@H](C)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cs1 ZINC000886749601 901253384 /nfs/dbraw/zinc/25/33/84/901253384.db2.gz XOTWGISUFZQCLI-OAHLLOKOSA-N 0 0 386.565 3.819 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1ccccc1 ZINC000047063574 901292004 /nfs/dbraw/zinc/29/20/04/901292004.db2.gz JNIAQXKNJRAINB-UHFFFAOYSA-N 0 0 379.382 3.864 20 10 GHCDRN CN(C)c1cc(F)cc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000844831652 901352791 /nfs/dbraw/zinc/35/27/91/901352791.db2.gz ZSLFJENFQTVMAP-LJQANCHMSA-N 0 0 387.455 3.810 20 10 GHCDRN O=C(NCCCCOCCc1ccccc1)NCc1cc(Cl)ccc1O ZINC000844897455 901476483 /nfs/dbraw/zinc/47/64/83/901476483.db2.gz MLAIVNIWEUNLLX-UHFFFAOYSA-N 0 0 376.884 3.884 20 10 GHCDRN O=C(NCc1ccc(OC2CCCC2)nc1)NCc1cc(Cl)ccc1O ZINC000844875884 901511149 /nfs/dbraw/zinc/51/11/49/901511149.db2.gz FWPPAJMBLPLJRB-UHFFFAOYSA-N 0 0 375.856 3.761 20 10 GHCDRN CCCOc1nc2ccccc2cc1/C=C\C(=O)NCc1ccc(O)c(O)c1 ZINC000778918174 901599687 /nfs/dbraw/zinc/59/96/87/901599687.db2.gz FSMYRXQWOKAQHM-NTMALXAHSA-N 0 0 378.428 3.764 20 10 GHCDRN C[C@@]1(C(=O)N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)C[C@@H]2C=C[C@H]1C2 ZINC001144276171 901617560 /nfs/dbraw/zinc/61/75/60/901617560.db2.gz AAEDSYFSNXWXCZ-ZRGWGRIASA-N 0 0 380.410 3.836 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)N[C@H](c2ncc(C)s2)C2CC2)cc1 ZINC000845017598 901671334 /nfs/dbraw/zinc/67/13/34/901671334.db2.gz WKDCJMIFCQCIIZ-SFHVURJKSA-N 0 0 388.537 3.689 20 10 GHCDRN [O-]c1cc(F)c(Br)cc1C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001144308740 901704414 /nfs/dbraw/zinc/70/44/14/901704414.db2.gz VJCYEIVVUFFPTO-HUUCEWRRSA-N 0 0 391.284 3.862 20 10 GHCDRN COc1ccc([C@H](C)NC(=O)NCc2cc(Cl)ccc2O)c(C)c1OC ZINC000845196793 901932243 /nfs/dbraw/zinc/93/22/43/901932243.db2.gz AJZHFYKGAXWODC-LBPRGKRZSA-N 0 0 378.856 3.932 20 10 GHCDRN CC(=O)NCC(C)(C)C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000845252352 901958420 /nfs/dbraw/zinc/95/84/20/901958420.db2.gz MWCHOVIYUNEEAV-UHFFFAOYSA-N 0 0 396.447 3.746 20 10 GHCDRN CSc1nc(NCc2cc(Br)ccc2O)cc(N2CCCC2)n1 ZINC001171174468 902044740 /nfs/dbraw/zinc/04/47/40/902044740.db2.gz VSQGNGSQRCPDMZ-UHFFFAOYSA-N 0 0 395.326 3.879 20 10 GHCDRN CC1(C)CC(=O)Nc2nc(NCc3cc(Br)ccc3O)ccc21 ZINC001171176085 902093961 /nfs/dbraw/zinc/09/39/61/902093961.db2.gz XYQCGSGGGWSHOF-UHFFFAOYSA-N 0 0 376.254 3.782 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2c3ccccc3CC23CCOCC3)c1 ZINC000290258609 914600300 /nfs/dbraw/zinc/60/03/00/914600300.db2.gz UYFCLQWPCSUTBN-VFNWGFHPSA-N 0 0 381.472 3.924 20 10 GHCDRN O=[N+]([O-])c1ccc2c(c1)nccc2NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000845470751 902186995 /nfs/dbraw/zinc/18/69/95/902186995.db2.gz IHBUNEKZQLNGHL-UHFFFAOYSA-N 0 0 396.422 3.855 20 10 GHCDRN Cc1ccccc1[C@@H](O)C(=O)Nc1ccc(NC(=O)Nc2ccc(N)cc2)cc1 ZINC001144539026 902347898 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COc1ccc(N2CC[C@H](CNC(=O)c3snc(Cl)c3Cl)C2)cc1 ZINC000846265137 902835583 /nfs/dbraw/zinc/83/55/83/902835583.db2.gz APCZVUGYSOSZSK-SNVBAGLBSA-N 0 0 386.304 3.715 20 10 GHCDRN O=S(=O)(NCc1ccc(O)c(O)c1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC001186626090 914671379 /nfs/dbraw/zinc/67/13/79/914671379.db2.gz LWSJDKIIOMMECN-UHFFFAOYSA-N 0 0 389.860 3.897 20 10 GHCDRN Cc1cc(C(=O)NCc2ncc3c(n2)CCOC3)c(C)n1-c1cccc(Cl)c1 ZINC000846369211 902947088 /nfs/dbraw/zinc/94/70/88/902947088.db2.gz ONZDWBUSVGCZPY-UHFFFAOYSA-N 0 0 396.878 3.540 20 10 GHCDRN COc1c([O-])c(C[NH2+]CCc2nc3cc(Cl)ccc3s2)ccc1[N+](=O)[O-] ZINC000775038513 914678846 /nfs/dbraw/zinc/67/88/46/914678846.db2.gz TWVVJOUVRYKRFK-UHFFFAOYSA-N 0 0 393.852 3.904 20 10 GHCDRN CCN1C[C@@H](CNC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC1=O ZINC000846466414 902990974 /nfs/dbraw/zinc/99/09/74/902990974.db2.gz RXGJSGWMJJBCGT-MRXNPFEDSA-N 0 0 393.491 3.766 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccnc(-c3ccccc3)c2N)cc1 ZINC001144868373 903051262 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Cc1cc(CC(=O)N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c(C)n1-c1ccccc1 ZINC000847007636 903390245 /nfs/dbraw/zinc/39/02/45/903390245.db2.gz CLIYLTNRUNQMSO-YDIMBITNSA-N 0 0 396.531 3.822 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC3(CCC3)OC[C@H]2C)cc1 ZINC001146279798 903486283 /nfs/dbraw/zinc/48/62/83/903486283.db2.gz CPCSVWRKAKVMPE-QGZVFWFLSA-N 0 0 380.488 3.619 20 10 GHCDRN O=C(Cc1ccc(F)cc1Cl)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000135053478 903618243 /nfs/dbraw/zinc/61/82/43/903618243.db2.gz SYUYBMFVFILRRY-UHFFFAOYSA-N 0 0 390.886 3.547 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC001146934487 903643938 /nfs/dbraw/zinc/64/39/38/903643938.db2.gz NSBYCADEYOLUGX-UHFFFAOYSA-N 0 0 391.427 3.674 20 10 GHCDRN O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1cc2c(s1)=CC=S=2 ZINC000578250534 903653310 /nfs/dbraw/zinc/65/33/10/903653310.db2.gz IENLIARDNGARDK-UHFFFAOYSA-N 0 0 377.397 3.568 20 10 GHCDRN Nc1ccc(/N=N/c2ccc(Br)cn2)c(NC(=O)c2ncccn2)c1 ZINC001147420079 903787998 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CCOc1cccc(CN2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1O ZINC000092589624 911636025 /nfs/dbraw/zinc/63/60/25/911636025.db2.gz FAXCVPLTKSHZRK-UHFFFAOYSA-N 0 0 392.858 3.541 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000283804955 911652399 /nfs/dbraw/zinc/65/23/99/911652399.db2.gz WHWFYTBHIZSLFW-OAHLLOKOSA-N 0 0 387.446 3.588 20 10 GHCDRN CC[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)c1ccccc1 ZINC000774401813 911715132 /nfs/dbraw/zinc/71/51/32/911715132.db2.gz GZKASPLAHZNTIE-OAQYLSRUSA-N 0 0 381.520 3.757 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3cc([N+](=O)[O-])c[nH]c3=O)n2)cc1 ZINC001212937131 911786229 /nfs/dbraw/zinc/78/62/29/911786229.db2.gz POKYXOKVPUIZSQ-UHFFFAOYSA-N 0 0 377.360 3.820 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H](C)c1ccc(C(N)=O)cc1 ZINC001182789606 912052707 /nfs/dbraw/zinc/05/27/07/912052707.db2.gz HQGIFHQTRLXUTF-VBKZILBWSA-N 0 0 380.488 3.651 20 10 GHCDRN CC(C)CCC[C@@H](C)NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000774546584 912073370 /nfs/dbraw/zinc/07/33/70/912073370.db2.gz XDQCYZNFSAVGRV-QGZVFWFLSA-N 0 0 386.492 3.845 20 10 GHCDRN COc1cc(N2CCN(Cc3ccc(C)c(Cl)c3)CC2)cc(OC)c1OC ZINC000775063337 914883380 /nfs/dbraw/zinc/88/33/80/914883380.db2.gz RIMJIPFDASLUFP-UHFFFAOYSA-N 0 0 390.911 3.996 20 10 GHCDRN COc1c([O-])c(C[NH2+][C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)ccc1[N+](=O)[O-] ZINC000775069498 914952416 /nfs/dbraw/zinc/95/24/16/914952416.db2.gz FDSFSITWBUBTHW-QZTJIDSGSA-N 0 0 386.448 3.783 20 10 GHCDRN COc1c(O)c(CN2CCO[C@@H](c3cccc(Cl)c3)C2)ccc1[N+](=O)[O-] ZINC000775071320 914960714 /nfs/dbraw/zinc/96/07/14/914960714.db2.gz PFFBGXPGBGVJBQ-MRXNPFEDSA-N 0 0 378.812 3.536 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)c2ccc(N3CCCNC3=O)cc2)c1 ZINC000291219419 915043732 /nfs/dbraw/zinc/04/37/32/915043732.db2.gz OUFKNBFIUJWGKP-CABCVRRESA-N 0 0 397.475 3.510 20 10 GHCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000291583942 915262601 /nfs/dbraw/zinc/26/26/01/915262601.db2.gz CPUFXJKVTCYKCN-CJXUKZFBSA-N 0 0 381.472 3.534 20 10 GHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ncoc1C1CC1 ZINC000293121979 916017418 /nfs/dbraw/zinc/01/74/18/916017418.db2.gz HXRWWEYWKANKSA-CYBMUJFWSA-N 0 0 377.391 3.552 20 10 GHCDRN O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)Cc1ccccc1O ZINC000098078339 916172879 /nfs/dbraw/zinc/17/28/79/916172879.db2.gz IBZLPUSEBFFMFJ-UHFFFAOYSA-N 0 0 382.372 3.501 20 10 GHCDRN Cc1c2ccccc2oc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000098093980 916191848 /nfs/dbraw/zinc/19/18/48/916191848.db2.gz PMMFILHXAVRILA-UHFFFAOYSA-N 0 0 378.472 3.880 20 10 GHCDRN CCc1nc(C)c(CNC(=O)N(CC)Cc2cc(Br)ccc2O)o1 ZINC000293659113 916316295 /nfs/dbraw/zinc/31/62/95/916316295.db2.gz LUKIUAXFWICDTL-UHFFFAOYSA-N 0 0 396.285 3.745 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000293743713 916360161 /nfs/dbraw/zinc/36/01/61/916360161.db2.gz PPIPJPWMOADWJD-IBGZPJMESA-N 0 0 396.487 3.664 20 10 GHCDRN C[C@@H]1[C@@H](C)CN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 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384.520 3.840 20 10 GHCDRN COC(=O)c1cnc(S[C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)s1 ZINC000294909600 917048081 /nfs/dbraw/zinc/04/80/81/917048081.db2.gz BKIMCIKFDSJZDX-LBPRGKRZSA-N 0 0 391.518 3.649 20 10 GHCDRN C[C@H](NS(=O)(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccc(N(C)C)cc1 ZINC001190001344 917055398 /nfs/dbraw/zinc/05/53/98/917055398.db2.gz GXLCMSHYNXWKGS-NSHDSACASA-N 0 0 390.402 3.950 20 10 GHCDRN Cc1c(NC(=O)N2CCOc3cc(N(C)C)ccc32)cnn1-c1ccc(C)cc1 ZINC000650528087 917060738 /nfs/dbraw/zinc/06/07/38/917060738.db2.gz SQOXLDXKZZGZBP-UHFFFAOYSA-N 0 0 391.475 3.986 20 10 GHCDRN COc1cc(O)c(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)c(OC)c1 ZINC001190137409 917122374 /nfs/dbraw/zinc/12/23/74/917122374.db2.gz KXSAVAIKLQMGJZ-UHFFFAOYSA-N 0 0 378.428 3.839 20 10 GHCDRN COCCCN(C(=O)c1ccccc1-c1c(C)n[nH]c1C)c1ccccc1N ZINC001190167494 917167828 /nfs/dbraw/zinc/16/78/28/917167828.db2.gz RTFOFJZSVCGYGF-UHFFFAOYSA-N 0 0 378.476 3.959 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)c1ccc(OC2COC2)c(F)c1 ZINC001190499228 917392722 /nfs/dbraw/zinc/39/27/22/917392722.db2.gz LMDJXPJNPMKBNO-NRFANRHFSA-N 0 0 399.462 3.979 20 10 GHCDRN C[C@H](NC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000775402483 917476792 /nfs/dbraw/zinc/47/67/92/917476792.db2.gz CDECUCCZELIIQD-MAUKXSAKSA-N 0 0 375.513 3.719 20 10 GHCDRN C[C@H](NC(=O)[C@H]1CCCN1c1ncnc2sccc21)c1ccc(N(C)C)cc1 ZINC000775402400 917479677 /nfs/dbraw/zinc/47/96/77/917479677.db2.gz AGLIRLVPOCBRKV-KBXCAEBGSA-N 0 0 395.532 3.604 20 10 GHCDRN C[C@@H](NC(=O)c1ccc(-n2cnc3ccccc32)nc1)c1ccc(N(C)C)cc1 ZINC000775402370 917480018 /nfs/dbraw/zinc/48/00/18/917480018.db2.gz DOUHUYPOAYQDOG-MRXNPFEDSA-N 0 0 385.471 3.978 20 10 GHCDRN Cc1cc(CCNC(=O)N2CCC(c3cn[nH]c3)CC2)c(C)n1-c1ccccc1 ZINC000775406958 917522546 /nfs/dbraw/zinc/52/25/46/917522546.db2.gz AVCRJBACBFWBJD-UHFFFAOYSA-N 0 0 391.519 3.949 20 10 GHCDRN CC(C)N(CCC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C ZINC000775410772 917551849 /nfs/dbraw/zinc/55/18/49/917551849.db2.gz MLFVUBLMMUHSAM-MRXNPFEDSA-N 0 0 377.529 3.965 20 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/nfs/dbraw/zinc/93/23/95/917932395.db2.gz RPFQGWOXAWJQJV-LJQANCHMSA-N 0 0 396.491 3.532 20 10 GHCDRN C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CCC(F)(F)CC1 ZINC000796538940 918131882 /nfs/dbraw/zinc/13/18/82/918131882.db2.gz QIRDQKGRHQRVPZ-CYBMUJFWSA-N 0 0 398.409 3.520 20 10 GHCDRN CC(=O)c1cc(Cl)cc(CN(CC(=O)N2CCCCCC2)C(C)C)c1O ZINC000796600665 918791663 /nfs/dbraw/zinc/79/16/63/918791663.db2.gz DZJGXYRFSVMLBP-UHFFFAOYSA-N 0 0 380.916 3.861 20 10 GHCDRN C[C@H]1CCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC[S@]1=O ZINC000297145468 919097404 /nfs/dbraw/zinc/09/74/04/919097404.db2.gz IKMKJULWESZKEU-CBZJRKILSA-N 0 0 391.581 3.508 20 10 GHCDRN CC(C)OCc1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000145594187 919342200 /nfs/dbraw/zinc/34/22/00/919342200.db2.gz KTNNWQQHQBZZGY-GOSISDBHSA-N 0 0 382.504 3.939 20 10 GHCDRN O=C1/C(=C\c2cnn(-c3ccccc3)n2)SC(=S)N1c1ccc(F)cc1 ZINC000018902513 919549594 /nfs/dbraw/zinc/54/95/94/919549594.db2.gz SUAUBKYIMXTJDW-MHWRWJLKSA-N 0 0 382.445 3.812 20 10 GHCDRN COC(=O)[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1 ZINC000117939986 919575233 /nfs/dbraw/zinc/57/52/33/919575233.db2.gz LSAVJUCMHMJEKK-LJQANCHMSA-N 0 0 390.430 3.761 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)C2CCN(c3cnccn3)CC2)cc1 ZINC000364553616 919632596 /nfs/dbraw/zinc/63/25/96/919632596.db2.gz DWHIYRDKFPODFL-UHFFFAOYSA-N 0 0 389.503 3.625 20 10 GHCDRN Cc1nnc(SCC(=O)N(C)Cc2ccccc2O)n1-c1cc(C)ccc1C ZINC000119974987 919675607 /nfs/dbraw/zinc/67/56/07/919675607.db2.gz QDRFFVZDHQCSEF-UHFFFAOYSA-N 0 0 396.516 3.649 20 10 GHCDRN CCCc1noc2nc(CC)cc(C(=O)N[C@@H](C)c3cc(OC)ccc3O)c12 ZINC000800519460 920235779 /nfs/dbraw/zinc/23/57/79/920235779.db2.gz QSYHCWSNRXMEBE-LBPRGKRZSA-N 0 0 383.448 3.943 20 10 GHCDRN COc1cccc(CNC(=O)Nc2ccnc(OCc3ccccc3)c2)c1O ZINC000800595214 920304718 /nfs/dbraw/zinc/30/47/18/920304718.db2.gz UWEFKAUEYXZHOY-UHFFFAOYSA-N 0 0 379.416 3.697 20 10 GHCDRN COCC1(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCC1 ZINC000800636323 920326379 /nfs/dbraw/zinc/32/63/79/920326379.db2.gz 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1032565711 /nfs/dbraw/zinc/56/57/11/1032565711.db2.gz DOVIDLHKTRNTSR-NRFANRHFSA-N 0 0 380.463 3.875 20 10 GHCDRN COc1cc2c(cc1O)CCN(C(=O)Cc1cc(C)n(-c3ccccc3)c1C)C2 ZINC001155584683 1032587529 /nfs/dbraw/zinc/58/75/29/1032587529.db2.gz FEOOUKXQCAZKGG-UHFFFAOYSA-N 0 0 390.483 3.936 20 10 GHCDRN C[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1cc(Br)cc(Cl)c1[O-] ZINC000926953999 1017330927 /nfs/dbraw/zinc/33/09/27/1017330927.db2.gz RPUXQZQRQPHWFW-SECBINFHSA-N 0 0 398.750 3.530 20 10 GHCDRN C[C@H]([NH2+]C[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1)c1ccc(F)cc1[O-] ZINC000926996919 1017337799 /nfs/dbraw/zinc/33/77/99/1017337799.db2.gz XTNDWEQSTYLDDF-DJEGFJQDSA-N 0 0 379.472 3.851 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(N(C)C(=O)C3CC3)cc2)c1 ZINC000932618665 1018533418 /nfs/dbraw/zinc/53/34/18/1018533418.db2.gz YAHRKOHKEIBZKG-ZDUSSCGKSA-N 0 0 383.448 3.656 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(N(C)C(=O)C3CC3)cc2)c1 ZINC000932618664 1018533678 /nfs/dbraw/zinc/53/36/78/1018533678.db2.gz YAHRKOHKEIBZKG-CYBMUJFWSA-N 0 0 383.448 3.656 20 10 GHCDRN Cc1occc1C(=O)NCC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000155608773 1019515929 /nfs/dbraw/zinc/51/59/29/1019515929.db2.gz GZTQQSWNWGHBJR-INIZCTEOSA-N 0 0 392.455 3.813 20 10 GHCDRN CC[C@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)C(=O)NCc1cccs1 ZINC001277282650 1032868978 /nfs/dbraw/zinc/86/89/78/1032868978.db2.gz JPPGWWVFMYHRED-FQEVSTJZSA-N 0 0 395.528 3.980 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000779500291 1020833921 /nfs/dbraw/zinc/83/39/21/1020833921.db2.gz OMOHMSFMVUAMDS-JXMROGBWSA-N 0 0 381.428 3.811 20 10 GHCDRN COC(=O)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(C(C)(C)C)cc1 ZINC000779519773 1020838634 /nfs/dbraw/zinc/83/86/34/1020838634.db2.gz MSJMWFKMRVFRCV-VQANOXKBSA-N 0 0 397.471 3.829 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3cc(Br)cs3)CC2)cc1 ZINC000194922091 1020968957 /nfs/dbraw/zinc/96/89/57/1020968957.db2.gz YDVYDKNPSLLQEP-UHFFFAOYSA-N 0 0 395.322 3.872 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)/C(C)=C\c1ccncc1 ZINC000834509919 1021234240 /nfs/dbraw/zinc/23/42/40/1021234240.db2.gz RBDJFYTZQDYVSK-ICFOKQHNSA-N 0 0 395.503 3.874 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc2cc[nH]c2n1 ZINC000834514429 1021236116 /nfs/dbraw/zinc/23/61/16/1021236116.db2.gz NDKYJXPAORGIIO-UHFFFAOYSA-N 0 0 394.475 3.565 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC001626156200 1021292852 /nfs/dbraw/zinc/29/28/52/1021292852.db2.gz OFPQLPWAGMKAEJ-LJQANCHMSA-N 0 0 388.414 3.992 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H]1c1cncc(Br)c1 ZINC001156303970 1032968940 /nfs/dbraw/zinc/96/89/40/1032968940.db2.gz PYDGMBDEKVOAEU-DRDHIDPGSA-N 0 0 389.249 3.632 20 10 GHCDRN C[C@@H](O)CC(=O)Oc1cc(C[C@H](C)[C@@H](C)Cc2ccc(O)c(O)c2)ccc1O ZINC001228523615 1032970602 /nfs/dbraw/zinc/97/06/02/1032970602.db2.gz VBZBVRPEDNPLJJ-SOUVJXGZSA-N 0 0 388.460 3.537 20 10 GHCDRN CO[C@@H](C)c1nsc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000800856793 1021343278 /nfs/dbraw/zinc/34/32/78/1021343278.db2.gz VPIDFJIMPNVWOC-NWDGAFQWSA-N 0 0 384.452 3.928 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC2(CC1)COCCN2Cc1c(O)cccc1Cl ZINC001140337753 1021442268 /nfs/dbraw/zinc/44/22/68/1021442268.db2.gz CLQLKBBLZNKRAD-UHFFFAOYSA-N 0 0 396.915 3.648 20 10 GHCDRN Oc1cccc(Cl)c1CN1CCN(Cc2ccncc2)c2ncccc2C1 ZINC001140339710 1021446754 /nfs/dbraw/zinc/44/67/54/1021446754.db2.gz LVSNJDVNVWSGOX-UHFFFAOYSA-N 0 0 380.879 3.858 20 10 GHCDRN C[C@@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000903155453 1021579877 /nfs/dbraw/zinc/57/98/77/1021579877.db2.gz YAFYXNXTKWRZFM-VOMCLLRMSA-N 0 0 380.337 3.953 20 10 GHCDRN C[C@H]([NH2+]CCC(C)(C)CO)c1cc(Br)cc(Br)c1[O-] ZINC000834871884 1021585312 /nfs/dbraw/zinc/58/53/12/1021585312.db2.gz UPISCURENXWJMV-VIFPVBQESA-N 0 0 395.135 3.976 20 10 GHCDRN CC[C@H](Nc1cc(NS(C)(=O)=O)ccc1OC)c1cccc(Cl)c1O ZINC000834890295 1021628439 /nfs/dbraw/zinc/62/84/39/1021628439.db2.gz ZTYSLYQETDOIBG-AWEZNQCLSA-N 0 0 384.885 3.989 20 10 GHCDRN O=C(NC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-])c1ccccc1 ZINC001204608464 1032992676 /nfs/dbraw/zinc/99/26/76/1032992676.db2.gz IBDOTTAKJNYDTF-INIZCTEOSA-N 0 0 376.859 3.969 20 10 GHCDRN Cc1cc(-c2nnc(N3CCC[C@]4(CCOC4)C3)n2C)c(C)n1-c1ccccc1 ZINC000834919377 1021686578 /nfs/dbraw/zinc/68/65/78/1021686578.db2.gz HGEMMSYFGIKQGB-QHCPKHFHSA-N 0 0 391.519 3.897 20 10 GHCDRN Cc1cc(C(=O)CN2CCC(O[C@@H]3CCOC3)CC2)c(C)n1-c1ccccc1 ZINC000748833920 1021724267 /nfs/dbraw/zinc/72/42/67/1021724267.db2.gz VSZCRCFAJVTYJV-OAQYLSRUSA-N 0 0 382.504 3.547 20 10 GHCDRN CN(Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1)CC(F)(F)F ZINC001140475301 1021770289 /nfs/dbraw/zinc/77/02/89/1021770289.db2.gz ZNKWJJZGNQJFLA-UHFFFAOYSA-N 0 0 387.446 3.738 20 10 GHCDRN CN(C)c1ccc(/C=C\CNc2cccc(OCC(=O)N3CCCC3)c2)cc1 ZINC000835031060 1021787914 /nfs/dbraw/zinc/78/79/14/1021787914.db2.gz JLLNUBYPYNDTIO-SREVYHEPSA-N 0 0 379.504 3.879 20 10 GHCDRN COc1cc2c(c(OC)c1OC)CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)CC2 ZINC001204674755 1033025343 /nfs/dbraw/zinc/02/53/43/1033025343.db2.gz WYOVRVYGAKBWLE-SREVYHEPSA-N 0 0 396.531 3.892 20 10 GHCDRN CO[C@H]([C@H](C)NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CC1 ZINC000835939223 1022491932 /nfs/dbraw/zinc/49/19/32/1022491932.db2.gz IBAXNYAGHYTFHU-IFXJQAMLSA-N 0 0 380.448 3.970 20 10 GHCDRN Cc1cccc(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1Cl ZINC000754180826 1022523077 /nfs/dbraw/zinc/52/30/77/1022523077.db2.gz HHVBKQAUEATJGL-UHFFFAOYSA-N 0 0 386.923 3.716 20 10 GHCDRN CN1CCCc2cc(CNC(=O)N[C@H]3CCO[C@@H](c4ccc(F)cc4)C3)ccc21 ZINC000754293129 1022589877 /nfs/dbraw/zinc/58/98/77/1022589877.db2.gz OUZONZFYEHZLBK-RBBKRZOGSA-N 0 0 397.494 3.928 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000754294342 1022590400 /nfs/dbraw/zinc/59/04/00/1022590400.db2.gz TYCPTJFXTKVWEF-CTNGQTDRSA-N 0 0 385.483 3.920 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc(C2CC2)c1 ZINC000836250691 1022770775 /nfs/dbraw/zinc/77/07/75/1022770775.db2.gz XKZQILINDCVVLE-KRWDZBQOSA-N 0 0 379.504 3.961 20 10 GHCDRN C[C@@H](NC(=O)NC[C@H]1CSc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000836255069 1022777140 /nfs/dbraw/zinc/77/71/40/1022777140.db2.gz BVRJGTLNOLDJCE-AEFFLSMTSA-N 0 0 397.544 3.773 20 10 GHCDRN C[C@H](NC(=O)N1CCC[C@@]2(CCSC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000836255331 1022779971 /nfs/dbraw/zinc/77/99/71/1022779971.db2.gz HLYWVISEMDFDKF-LAUBAEHRSA-N 0 0 389.565 3.513 20 10 GHCDRN COc1cc(CN2CCO[C@@H](c3noc(C4CC4)n3)C2)c(O)c(C(C)(C)C)c1 ZINC000754730985 1022865296 /nfs/dbraw/zinc/86/52/96/1022865296.db2.gz ZTOXVJKCKBFZFZ-QGZVFWFLSA-N 0 0 387.480 3.532 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000836319612 1022868920 /nfs/dbraw/zinc/86/89/20/1022868920.db2.gz CYMQBODHYQGIEA-KRWDZBQOSA-N 0 0 387.405 3.967 20 10 GHCDRN COC[C@H]1CN(Cc2ccc(N(C)C)cc2Cl)Cc2nn(CC3CC3)cc21 ZINC001140922084 1022888983 /nfs/dbraw/zinc/88/89/83/1022888983.db2.gz GWVLAQRUOWSLPY-QGZVFWFLSA-N 0 0 388.943 3.758 20 10 GHCDRN Cc1ccc(CN2CCn3c(COCc4cccc(C)n4)cnc3[C@H]2C)c(O)c1 ZINC001140951993 1022979681 /nfs/dbraw/zinc/97/96/81/1022979681.db2.gz AXUNJBYKIYNLQK-GOSISDBHSA-N 0 0 392.503 3.894 20 10 GHCDRN c1ccc2[nH]c(CN3CCN(c4ccc(OCc5cccnc5)cc4)CC3)nc2c1 ZINC001204807716 1033099211 /nfs/dbraw/zinc/09/92/11/1033099211.db2.gz DVGWEAUPQBLODB-UHFFFAOYSA-N 0 0 399.498 3.859 20 10 GHCDRN C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000836480013 1023010466 /nfs/dbraw/zinc/01/04/66/1023010466.db2.gz VGLHRAIBVXSJEJ-MRXNPFEDSA-N 0 0 395.482 3.980 20 10 GHCDRN O=C(CSc1nc(-c2ccccc2)no1)NCc1ccc(N2CCCC2)cc1 ZINC000755048435 1023044810 /nfs/dbraw/zinc/04/48/10/1023044810.db2.gz OXADQJWJYGYURR-UHFFFAOYSA-N 0 0 394.500 3.745 20 10 GHCDRN CCc1nn(C)c(CC)c1CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000755083117 1023065513 /nfs/dbraw/zinc/06/55/13/1023065513.db2.gz LDNHXALKXLJVKD-UHFFFAOYSA-N 0 0 385.556 3.731 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3c[nH]nc3-c3ccccc3F)CC2)cc1 ZINC000755212060 1023130666 /nfs/dbraw/zinc/13/06/66/1023130666.db2.gz NEGVTOMAIKBVKW-UHFFFAOYSA-N 0 0 394.450 3.577 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2cccc(OC(=O)NC)c2)cc1 ZINC000836651098 1023212752 /nfs/dbraw/zinc/21/27/52/1023212752.db2.gz OEDQTRHTYWHBGR-UHFFFAOYSA-N 0 0 384.480 3.915 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(C2CCC2)cn1 ZINC000836702847 1023275656 /nfs/dbraw/zinc/27/56/56/1023275656.db2.gz ZUMRVZHAKXKABM-UHFFFAOYSA-N 0 0 384.455 3.647 20 10 GHCDRN Cc1csc([C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C(F)(F)F)n1 ZINC000836704601 1023276024 /nfs/dbraw/zinc/27/60/24/1023276024.db2.gz BMZUNVIBJLNGNT-CYBMUJFWSA-N 0 0 390.406 3.759 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc2c(c1)CCCC2=O ZINC000836711123 1023287806 /nfs/dbraw/zinc/28/78/06/1023287806.db2.gz KCTOCUKCWLSULT-UHFFFAOYSA-N 0 0 397.450 3.503 20 10 GHCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1C[C@H]1c1cccnc1 ZINC000836724313 1023305642 /nfs/dbraw/zinc/30/56/42/1023305642.db2.gz RDKMRWQNKWHCPF-ZYSHUDEJSA-N 0 0 387.430 3.572 20 10 GHCDRN CCOC(=O)CN1C(=O)/C(=C/c2cnc(-c3ccccn3)s2)c2ccccc21 ZINC000755607235 1023311562 /nfs/dbraw/zinc/31/15/62/1023311562.db2.gz VBCBWXWXKUHNAE-LFIBNONCSA-N 0 0 391.452 3.655 20 10 GHCDRN Cc1cc(C(=O)COC(=O)CCc2ccncn2)c(C)n1-c1ccc(C)c(F)c1 ZINC000755642765 1023323114 /nfs/dbraw/zinc/32/31/14/1023323114.db2.gz HYBQDVANKGWGQZ-UHFFFAOYSA-N 0 0 395.434 3.690 20 10 GHCDRN COc1c(F)cc(NC(=O)NCc2ccc(N(C)C)cc2C)c(OC)c1F ZINC000836736934 1023325563 /nfs/dbraw/zinc/32/55/63/1023325563.db2.gz HCVUFBNDKSZDLU-UHFFFAOYSA-N 0 0 379.407 3.678 20 10 GHCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C[C@@](C)(O)C2CC2)cc1 ZINC000755885911 1023422564 /nfs/dbraw/zinc/42/25/64/1023422564.db2.gz YVLJDKQWNRGDPL-HSZRJFAPSA-N 0 0 382.504 3.846 20 10 GHCDRN CC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000756233739 1023560374 /nfs/dbraw/zinc/56/03/74/1023560374.db2.gz XFVPHYXAVHJDTF-OAQYLSRUSA-N 0 0 396.487 3.529 20 10 GHCDRN CCOc1cc2c(cc1C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])O[C@@H](C)C2 ZINC000756361261 1023606742 /nfs/dbraw/zinc/60/67/42/1023606742.db2.gz JRHSZRGVUPLMNK-KBPBESRZSA-N 0 0 385.460 3.752 20 10 GHCDRN CCN(CC)[C@@H](C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])c1ccsc1 ZINC000756408820 1023632415 /nfs/dbraw/zinc/63/24/15/1023632415.db2.gz SKQXSFSROPCDAB-KSSFIOAISA-N 0 0 376.522 3.974 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCN(Cc3ccccc3C)CC2)c1 ZINC000756417211 1023637992 /nfs/dbraw/zinc/63/79/92/1023637992.db2.gz LFBUMWJQWHQAJB-KRWDZBQOSA-N 0 0 382.504 3.802 20 10 GHCDRN CC[C@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccn(C)n1 ZINC000756428165 1023643111 /nfs/dbraw/zinc/64/31/11/1023643111.db2.gz CHOMWUSJZMPGAQ-KRWDZBQOSA-N 0 0 382.430 3.516 20 10 GHCDRN COCCOc1ncccc1C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756430923 1023644967 /nfs/dbraw/zinc/64/49/67/1023644967.db2.gz KFUFQFPDZCZIHW-LLVKDONJSA-N 0 0 399.260 3.565 20 10 GHCDRN C[C@@H]([NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1cc(F)cc(F)c1[O-] ZINC000756462315 1023664561 /nfs/dbraw/zinc/66/45/61/1023664561.db2.gz XOOQZBGMXPLVRJ-MFKMUULPSA-N 0 0 391.336 3.780 20 10 GHCDRN C[C@@H]([NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)c1cc(F)cc(F)c1[O-] ZINC000756502659 1023686699 /nfs/dbraw/zinc/68/66/99/1023686699.db2.gz KIJQHQWFJSTMBU-PSLIRLAXSA-N 0 0 377.309 3.953 20 10 GHCDRN Cc1cc(C[NH2+][C@H](C)c2cc(Br)cc(Br)c2[O-])[nH]n1 ZINC000756586662 1023723858 /nfs/dbraw/zinc/72/38/58/1023723858.db2.gz UXNRJIJSIRANAR-MRVPVSSYSA-N 0 0 389.091 3.800 20 10 GHCDRN C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756587835 1023723960 /nfs/dbraw/zinc/72/39/60/1023723960.db2.gz CVADKFODDYQJPY-CHWSQXEVSA-N 0 0 393.390 3.831 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756599149 1023729079 /nfs/dbraw/zinc/72/90/79/1023729079.db2.gz XNWGVZRJKDRJDD-WBMJQRKESA-N 0 0 389.839 3.800 20 10 GHCDRN C[C@H]([NH2+]CCCO[C@H]1CCOC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756648895 1023753871 /nfs/dbraw/zinc/75/38/71/1023753871.db2.gz ALQNOEIXBTWGHZ-JQWIXIFHSA-N 0 0 378.694 3.654 20 10 GHCDRN C[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756648896 1023754069 /nfs/dbraw/zinc/75/40/69/1023754069.db2.gz ALQNOEIXBTWGHZ-PWSUYJOCSA-N 0 0 378.694 3.654 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1cc(Br)cc(F)c1[O-] ZINC000756660441 1023760129 /nfs/dbraw/zinc/76/01/29/1023760129.db2.gz XIWSPWLIIYGZMV-FZMZJTMJSA-N 0 0 399.304 3.736 20 10 GHCDRN CCc1noc(-c2ccc(CC[NH2+][C@H](C)c3cc(C(=O)OC)ccc3[O-])cc2)n1 ZINC000756685119 1023772980 /nfs/dbraw/zinc/77/29/80/1023772980.db2.gz NEAKRLFORCLXQJ-CQSZACIVSA-N 0 0 395.459 3.685 20 10 GHCDRN C[C@@H]([NH2+]CCNC(=O)c1cccc(Br)c1)c1cc(F)cc(F)c1[O-] ZINC000756703923 1023781091 /nfs/dbraw/zinc/78/10/91/1023781091.db2.gz KQDDBEXXXMABHF-SNVBAGLBSA-N 0 0 399.235 3.514 20 10 GHCDRN Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756739886 1023794770 /nfs/dbraw/zinc/79/47/70/1023794770.db2.gz ZYMSSBSATOIFNO-LLVKDONJSA-N 0 0 399.260 3.666 20 10 GHCDRN C[C@@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756770349 1023808069 /nfs/dbraw/zinc/80/80/69/1023808069.db2.gz UBASTCIEDOWLIJ-OAHLLOKOSA-N 0 0 386.448 3.847 20 10 GHCDRN COCC1([NH2+][C@@H](C)c2cc(Br)cc(Br)c2[O-])CC1 ZINC000756849986 1023833821 /nfs/dbraw/zinc/83/38/21/1023833821.db2.gz IDSQMTDKEALJSX-QMMMGPOBSA-N 0 0 379.092 3.747 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756865292 1023839208 /nfs/dbraw/zinc/83/92/08/1023839208.db2.gz PTZAVSFYMJKZJE-FVMDXXJSSA-N 0 0 384.785 3.919 20 10 GHCDRN COc1cccc(OC)c1CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000756933089 1023873598 /nfs/dbraw/zinc/87/35/98/1023873598.db2.gz VWEJWRBJYVJOOD-UHFFFAOYSA-N 0 0 382.504 3.799 20 10 GHCDRN Cc1cc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c(C)n1-c1ccccn1 ZINC000756992611 1023901052 /nfs/dbraw/zinc/90/10/52/1023901052.db2.gz DSAYLNHQFYKEFD-UHFFFAOYSA-N 0 0 384.823 3.981 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc2[nH]c(=O)n(C3CC3)c2c1 ZINC000830559305 1023984299 /nfs/dbraw/zinc/98/42/99/1023984299.db2.gz MIUORVOJXXZRNS-UHFFFAOYSA-N 0 0 377.444 3.591 20 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MLAZCDLTCQGVSM-JTHBVZDNSA-N 0 0 399.510 3.542 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3c(F)cccc3Cl)CC2)cc1F ZINC000831626440 1024687744 /nfs/dbraw/zinc/68/77/44/1024687744.db2.gz WKAIYYGZICWSOX-UHFFFAOYSA-N 0 0 381.810 3.981 20 10 GHCDRN CO[C@@H]1COCC[C@@H]1CNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001141358848 1024697970 /nfs/dbraw/zinc/69/79/70/1024697970.db2.gz KBZXWPZJBCAKCI-DNVCBOLYSA-N 0 0 376.884 3.529 20 10 GHCDRN Cc1cc(C(=O)NC[C@@H](C)N2CCCCC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC001138343029 1024704798 /nfs/dbraw/zinc/70/47/98/1024704798.db2.gz QESUBMHCWGCUCJ-OAHLLOKOSA-N 0 0 387.911 3.878 20 10 GHCDRN CN1CCCc2cc(CN3Cc4ccccc4C[C@H]3C(=O)NC(C)(C)C)ccc21 ZINC001138356456 1024719983 /nfs/dbraw/zinc/71/99/83/1024719983.db2.gz ONMXXJBBZZRBPQ-QHCPKHFHSA-N 0 0 391.559 3.911 20 10 GHCDRN CCN(CC)c1ccc(CN2CCn3c(Br)cnc3C2)c(OC)c1 ZINC001138390419 1024767038 /nfs/dbraw/zinc/76/70/38/1024767038.db2.gz WEPKIEIYCAUTAQ-UHFFFAOYSA-N 0 0 393.329 3.516 20 10 GHCDRN Cc1cncnc1O[C@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141377532 1024774833 /nfs/dbraw/zinc/77/48/33/1024774833.db2.gz RNRSAQMJPYWJAI-ZDUSSCGKSA-N 0 0 398.688 3.560 20 10 GHCDRN CC(C)c1nnc(CNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)[nH]1 ZINC000837971217 1024853583 /nfs/dbraw/zinc/85/35/83/1024853583.db2.gz BEGMDPAQHXDOND-UHFFFAOYSA-N 0 0 384.528 3.696 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@H](c3noc(C4CC4)n3)C2)cc1 ZINC000831820911 1024905687 /nfs/dbraw/zinc/90/56/87/1024905687.db2.gz ZSVQVXIMODEXGO-LJQANCHMSA-N 0 0 392.459 3.568 20 10 GHCDRN CC(C)[C@@H]1C[C@H]1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000838085475 1024913393 /nfs/dbraw/zinc/91/33/93/1024913393.db2.gz MAIAQPLSWOGIKL-AVWIDUKFSA-N 0 0 394.587 3.890 20 10 GHCDRN C[C@H](NC(=O)N(C)Cc1ccccc1O)c1ccc(N2CCCOC2=O)cc1 ZINC000838613177 1025236024 /nfs/dbraw/zinc/23/60/24/1025236024.db2.gz UWKUQFWOLFEGMD-HNNXBMFYSA-N 0 0 383.448 3.642 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1cccc(C(F)(F)F)n1 ZINC000838613144 1025236470 /nfs/dbraw/zinc/23/64/70/1025236470.db2.gz NXPARGYHJXNTOO-UHFFFAOYSA-N 0 0 394.441 3.941 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000838680169 1025287424 /nfs/dbraw/zinc/28/74/24/1025287424.db2.gz IGDUOYSUUOTJRN-TZIWHRDSSA-N 0 0 382.508 3.599 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)C2CC2)cc1 ZINC001141506007 1025315115 /nfs/dbraw/zinc/31/51/15/1025315115.db2.gz LAEISPNSNBIURR-QAQDUYKDSA-N 0 0 387.524 3.547 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCC[C@@H]2CCOC2)cc1 ZINC000838717174 1025319513 /nfs/dbraw/zinc/31/95/13/1025319513.db2.gz SBNFIVPYXPOTCH-LJQANCHMSA-N 0 0 385.508 3.874 20 10 GHCDRN Cc1cc(F)ccc1NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838747474 1025342514 /nfs/dbraw/zinc/34/25/14/1025342514.db2.gz RESBIHDEGDZINV-UHFFFAOYSA-N 0 0 379.382 3.571 20 10 GHCDRN CN(C)C(=O)c1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)ccc1Cl ZINC001141531605 1025412761 /nfs/dbraw/zinc/41/27/61/1025412761.db2.gz HMZIPOBSHBBXOJ-UHFFFAOYSA-N 0 0 390.848 3.920 20 10 GHCDRN Fc1cc(CNCc2conc2Cc2ccccc2)cc(F)c1N1CCOCC1 ZINC000839144750 1025638068 /nfs/dbraw/zinc/63/80/68/1025638068.db2.gz KDLNXZRCOOARQE-UHFFFAOYSA-N 0 0 399.441 3.670 20 10 GHCDRN Cc1ccc(CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C(C)C)s1 ZINC000839264154 1025762385 /nfs/dbraw/zinc/76/23/85/1025762385.db2.gz MGDITZAMALFFQG-UHFFFAOYSA-N 0 0 387.549 3.518 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)Cc1ccccc1SC ZINC000839271578 1025768477 /nfs/dbraw/zinc/76/84/77/1025768477.db2.gz JNBPLLKFKSJULL-UHFFFAOYSA-N 0 0 386.517 3.511 20 10 GHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2nn(C)c3c2CCCC3)cc1 ZINC000839272290 1025770054 /nfs/dbraw/zinc/77/00/54/1025770054.db2.gz IBBVUYYJADLKAI-UHFFFAOYSA-N 0 0 394.441 3.570 20 10 GHCDRN COc1ccc(CNC(=O)C(F)(F)c2cccc(Br)c2)c(O)c1 ZINC001139032811 1025806580 /nfs/dbraw/zinc/80/65/80/1025806580.db2.gz RANUUJIOSOHCRE-UHFFFAOYSA-N 0 0 386.192 3.572 20 10 GHCDRN CCOc1cc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc(C)n1 ZINC001162651977 1025851613 /nfs/dbraw/zinc/85/16/13/1025851613.db2.gz DHGJFAGKOWBGIT-CQSZACIVSA-N 0 0 378.423 3.866 20 10 GHCDRN COc1ccc2c(c1)OCC(C(=O)NCc1ccc(N3CCCCC3)cc1)=C2 ZINC001162800576 1025920962 /nfs/dbraw/zinc/92/09/62/1025920962.db2.gz JAVWTADJOQKQGE-UHFFFAOYSA-N 0 0 378.472 3.778 20 10 GHCDRN CN(C)c1cccc(CNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)n1 ZINC001162855330 1025940911 /nfs/dbraw/zinc/94/09/11/1025940911.db2.gz GJGUKQIIPFCUNF-UHFFFAOYSA-N 0 0 376.416 3.899 20 10 GHCDRN COc1cc2c(cc1OC)[C@@H](C[N@H+](C)Cc1c([O-])ccc3c(C)cc(=O)oc31)C2 ZINC001139134003 1025945922 /nfs/dbraw/zinc/94/59/22/1025945922.db2.gz VOPGJRFYXWYDBE-OAHLLOKOSA-N 0 0 395.455 3.596 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CCN(C2(c3ccccc3)CC2)CC1 ZINC001139133598 1025946133 /nfs/dbraw/zinc/94/61/33/1025946133.db2.gz IVGMGPISWDJFBS-UHFFFAOYSA-N 0 0 390.483 3.614 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)c1ccc(Br)s1 ZINC000839524189 1026008250 /nfs/dbraw/zinc/00/82/50/1026008250.db2.gz CYBUKJYETKMOTF-UHFFFAOYSA-N 0 0 393.306 3.610 20 10 GHCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2Br)c1 ZINC000839538785 1026028211 /nfs/dbraw/zinc/02/82/11/1026028211.db2.gz GMYJNJBMMZCCJF-SNVBAGLBSA-N 0 0 381.226 3.922 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2F)C[C@H](C)O1 ZINC000839549393 1026044812 /nfs/dbraw/zinc/04/48/12/1026044812.db2.gz JKMSXQRHTZPDIG-GJJHYRHESA-N 0 0 382.479 3.859 20 10 GHCDRN CSc1cccc(C)c1NC(=O)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839633885 1026139542 /nfs/dbraw/zinc/13/95/42/1026139542.db2.gz MSAGJPBOSQCIQB-MRXNPFEDSA-N 0 0 399.560 3.777 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)Nc1cccc(F)c1Cl ZINC000839633604 1026139705 /nfs/dbraw/zinc/13/97/05/1026139705.db2.gz JVVBYGWXZIZPAQ-ZDUSSCGKSA-N 0 0 391.874 3.539 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2Nc1ccc(C(=O)N2CCOCC2)cn1 ZINC001163486653 1026210367 /nfs/dbraw/zinc/21/03/67/1026210367.db2.gz LXSYHDYRHLIWQH-OAQYLSRUSA-N 0 0 395.503 3.612 20 10 GHCDRN Cc1cc(C(=O)NCCC(C)(C)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000839845458 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CCN(CC)c1ccc(CNC(=O)Nc2cc(C)n(CC(F)(F)F)n2)cc1 ZINC000841809355 1028957783 /nfs/dbraw/zinc/95/77/83/1028957783.db2.gz YKGPPKOWZJEDFT-UHFFFAOYSA-N 0 0 383.418 3.922 20 10 GHCDRN CN1CCCc2cc(CNC(=O)c3ccc(NC(=O)OC(C)(C)C)nc3)ccc21 ZINC001142469102 1028974837 /nfs/dbraw/zinc/97/48/37/1028974837.db2.gz BRAYUVNRXSHSDE-UHFFFAOYSA-N 0 0 396.491 3.741 20 10 GHCDRN Fc1ccc(CNCc2ccc3c(c2)CCO3)c(I)c1 ZINC000841861233 1028979586 /nfs/dbraw/zinc/97/95/86/1028979586.db2.gz XZXRFVIQFLWVAT-UHFFFAOYSA-N 0 0 383.204 3.655 20 10 GHCDRN Nc1ccc(CCNC(=O)NCCOCc2ccc(Cl)cc2Cl)cc1 ZINC000841871214 1028982999 /nfs/dbraw/zinc/98/29/99/1028982999.db2.gz SRLGFWBHZUNJJB-UHFFFAOYSA-N 0 0 382.291 3.634 20 10 GHCDRN Nc1ccc(CCNC(=O)N[C@H]2CCOc3c(Cl)c(Cl)ccc32)cc1 ZINC000841889715 1028988652 /nfs/dbraw/zinc/98/86/52/1028988652.db2.gz UTUYQMCVOLVRPQ-HNNXBMFYSA-N 0 0 380.275 3.941 20 10 GHCDRN C[C@@H](NC(=O)NCCc1ccc(N)cc1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000841957220 1029013814 /nfs/dbraw/zinc/01/38/14/1029013814.db2.gz 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Cc1c(C(=O)NCc2ccc3cccnc3c2O)cnn1-c1cc(C)ccc1C ZINC001142727986 1029351815 /nfs/dbraw/zinc/35/18/15/1029351815.db2.gz JFDNVRYQXRVCFJ-UHFFFAOYSA-N 0 0 386.455 3.981 20 10 GHCDRN CCOCc1cncc(Nc2c(CC(N)=O)cccc2C(=O)c2ccccc2)c1 ZINC001215790364 1029393980 /nfs/dbraw/zinc/39/39/80/1029393980.db2.gz UPEIBZHORAUEBN-UHFFFAOYSA-N 0 0 389.455 3.621 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@]1(CO)C[C@H]1c1ccccc1 ZINC001461540358 1069599456 /nfs/dbraw/zinc/59/94/56/1069599456.db2.gz OPNFGFHAHVHGFU-YJBOKZPZSA-N 0 0 380.257 3.550 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)[C@H]3CCc4cccc(OC)c43)C2)cc1 ZINC000842874141 1029652007 /nfs/dbraw/zinc/65/20/07/1029652007.db2.gz KSNTVHGGWPZORF-JXFKEZNVSA-N 0 0 381.472 3.803 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)[C@@H]3CCC(=O)c4ccccc43)C2)cc1 ZINC000842876268 1029654623 /nfs/dbraw/zinc/65/46/23/1029654623.db2.gz RVYJGZXAHWCKOT-HRAATJIYSA-N 0 0 379.456 3.825 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)Cc3nc(-c4ccco4)oc3C)C2)cc1 ZINC000842877821 1029654798 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ZINC001308262422 1049930100 /nfs/dbraw/zinc/93/01/00/1049930100.db2.gz VKAHLTPFCREPKA-SNVBAGLBSA-N 0 0 383.673 3.925 20 10 GHCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c1 ZINC001308268358 1049931840 /nfs/dbraw/zinc/93/18/40/1049931840.db2.gz CFHFSHCJAHLCFO-AWEZNQCLSA-N 0 0 381.354 3.688 20 10 GHCDRN COc1ccc2c(c1)[C@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])CCO2 ZINC001308366755 1049959693 /nfs/dbraw/zinc/95/96/93/1049959693.db2.gz RNFVLOCQTZKLNM-OAHLLOKOSA-N 0 0 382.229 3.916 20 10 GHCDRN Cc1cc(C[NH2+]Cc2cc(Br)cc(Br)c2[O-])ccn1 ZINC001308412304 1049970299 /nfs/dbraw/zinc/97/02/99/1049970299.db2.gz XKJIDCWJHJNXLY-UHFFFAOYSA-N 0 0 386.087 3.910 20 10 GHCDRN Cc1cc(O)c(CN2CCN(Cc3cccc(Cl)c3)C(=O)C2)c(Cl)c1 ZINC001308604982 1050028969 /nfs/dbraw/zinc/02/89/69/1050028969.db2.gz YWGOOLXLBYMGJN-UHFFFAOYSA-N 0 0 379.287 3.852 20 10 GHCDRN COC(=O)c1cc(CN(C)c2cc(OC)c(OC)c(OC)c2)[nH]c1C(C)C ZINC001308678556 1050056665 /nfs/dbraw/zinc/05/66/65/1050056665.db2.gz 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CCN(CC)c1ccc(CNC(=O)Nc2cccc(NC(=O)[C@@H](C)OC)c2)cc1 ZINC000142389768 859484549 /nfs/dbraw/zinc/48/45/49/859484549.db2.gz XHTJNMZOEVVKRX-MRXNPFEDSA-N 0 0 398.507 3.828 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCC(=O)OC(C)(C)C)cc1 ZINC000764762190 859598255 /nfs/dbraw/zinc/59/82/55/859598255.db2.gz OPWBHKOHBNVQET-UHFFFAOYSA-N 0 0 386.492 3.996 20 10 GHCDRN O=C(NCCOC1CCCCCC1)NCc1cccc(Br)c1O ZINC000764781828 859602050 /nfs/dbraw/zinc/60/20/50/859602050.db2.gz CPCFNVPDIRKOOC-UHFFFAOYSA-N 0 0 385.302 3.693 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H](O)CCc2ccccc2)cc1 ZINC000764773511 859605426 /nfs/dbraw/zinc/60/54/26/859605426.db2.gz VPEMPSGWOGPMSX-HSZRJFAPSA-N 0 0 392.499 3.868 20 10 GHCDRN Cc1ccccc1C1(CNC(=O)NCc2cccc(Br)c2O)CC1 ZINC000764771908 859605699 /nfs/dbraw/zinc/60/56/99/859605699.db2.gz ZDSMQCKLKXAGHZ-UHFFFAOYSA-N 0 0 389.293 3.994 20 10 GHCDRN Cc1cccc(O[C@H](C)CNC(=O)NCc2cccc(Br)c2O)c1 ZINC000764790223 859610190 /nfs/dbraw/zinc/61/01/90/859610190.db2.gz ILGZQKDWDOMEGZ-CYBMUJFWSA-N 0 0 393.281 3.730 20 10 GHCDRN CC[C@]1(c2ccccc2)NC(=O)N(C2CCN(c3ccc(OC)cc3)CC2)C1=O ZINC000761224597 859612020 /nfs/dbraw/zinc/61/20/20/859612020.db2.gz YVVYNHHSMJHMDY-HSZRJFAPSA-N 0 0 393.487 3.521 20 10 GHCDRN Cc1cccc(C)c1CCNC(=O)NCc1cccc(Br)c1O ZINC000764799240 859612767 /nfs/dbraw/zinc/61/27/67/859612767.db2.gz JDDDZRXFWKFXLH-UHFFFAOYSA-N 0 0 377.282 3.813 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000764785139 859617921 /nfs/dbraw/zinc/61/79/21/859617921.db2.gz SMEICUAEELJOFC-HOCLYGCPSA-N 0 0 375.266 3.585 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnnn1-c1ccccc1Cl ZINC000764895805 859664984 /nfs/dbraw/zinc/66/49/84/859664984.db2.gz VTVVDRSNRFKHMG-UHFFFAOYSA-N 0 0 383.883 3.649 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)c3cc(Cl)n(C)n3)cc2Cl)C1 ZINC001128490113 859680217 /nfs/dbraw/zinc/68/02/17/859680217.db2.gz PIZHFLDBCFGQIH-GFCCVEGCSA-N 0 0 381.307 3.893 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2ccco2)s1 ZINC000764923512 859681841 /nfs/dbraw/zinc/68/18/41/859681841.db2.gz CZVBCHYEZKUBOK-UHFFFAOYSA-N 0 0 386.448 3.914 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](O)c1ccccc1Cl ZINC000765165711 859816005 /nfs/dbraw/zinc/81/60/05/859816005.db2.gz XPOMBIOHBIFOLJ-MRXNPFEDSA-N 0 0 398.684 3.890 20 10 GHCDRN COC(=O)c1cccc(NC(=O)NCc2cccc(Br)c2O)c1C ZINC000765232474 859848781 /nfs/dbraw/zinc/84/87/81/859848781.db2.gz CAUDYVWSOFIVDN-UHFFFAOYSA-N 0 0 393.237 3.571 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)Nc1ccc2c(c1)CCCO2 ZINC000765274930 859878919 /nfs/dbraw/zinc/87/89/19/859878919.db2.gz BXQLTKFRZQQMTE-UHFFFAOYSA-N 0 0 377.238 3.801 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(-c2ccc(OC)cc2)n[nH]1 ZINC000765309047 859905069 /nfs/dbraw/zinc/90/50/69/859905069.db2.gz ZWNMIBBIVJOAJW-UHFFFAOYSA-N 0 0 378.476 3.814 20 10 GHCDRN CC(C)Oc1cc(NC(=O)NCc2cccc(Br)c2O)ccn1 ZINC000765361295 859927963 /nfs/dbraw/zinc/92/79/63/859927963.db2.gz DYMUPWCPWNXNTC-UHFFFAOYSA-N 0 0 380.242 3.659 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1 ZINC000727168617 859980968 /nfs/dbraw/zinc/98/09/68/859980968.db2.gz SBQKKAYMDNMDFU-UHFFFAOYSA-N 0 0 398.459 3.952 20 10 GHCDRN COc1ccccc1/C(C)=C\C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000727310700 860041422 /nfs/dbraw/zinc/04/14/22/860041422.db2.gz QGDXVKCPRWSMCA-LJTZQCLUSA-N 0 0 380.488 3.813 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnccc1Oc1ccccc1 ZINC000499885923 860105346 /nfs/dbraw/zinc/10/53/46/860105346.db2.gz KEPQRTNSZSKWEN-UHFFFAOYSA-N 0 0 375.428 3.979 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000840337278 860123764 /nfs/dbraw/zinc/12/37/64/860123764.db2.gz YNKNLLUNESEFNG-XKGZKEIXSA-N 0 0 375.557 3.885 20 10 GHCDRN Cc1nc2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)ccc2c(=O)[nH]1 ZINC000895940545 860142390 /nfs/dbraw/zinc/14/23/90/860142390.db2.gz SFDZDMCTHPWUOE-UHFFFAOYSA-N 0 0 376.460 3.564 20 10 GHCDRN Nc1ccc(Cc2nc(C(=O)OC[C@H]3CC[C@H](C(F)(F)F)O3)cs2)cc1 ZINC000922599059 860275242 /nfs/dbraw/zinc/27/52/42/860275242.db2.gz CYQNNGSGGCCACA-TZMCWYRMSA-N 0 0 386.395 3.583 20 10 GHCDRN COc1ccc(N2CCN(C(=O)[C@@H](OC(C)(C)C)c3ccccc3)CC2)cc1 ZINC001127189260 860330758 /nfs/dbraw/zinc/33/07/58/860330758.db2.gz HJPUECGGTBDTRV-NRFANRHFSA-N 0 0 382.504 3.900 20 10 GHCDRN Cc1ccc(Cl)c(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000765666429 860386213 /nfs/dbraw/zinc/38/62/13/860386213.db2.gz BTFHFJANFBZREN-UHFFFAOYSA-N 0 0 396.965 3.680 20 10 GHCDRN Cc1cc(C(=O)N(C)CC2(O)CCC2)c(C)n1-c1ccccc1Br ZINC000760079436 860399556 /nfs/dbraw/zinc/39/95/56/860399556.db2.gz SMYMTJMLEAWTLQ-UHFFFAOYSA-N 0 0 391.309 3.844 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1nccc(C(F)(F)F)n1 ZINC000840422687 860419432 /nfs/dbraw/zinc/41/94/32/860419432.db2.gz NJWYIDHDDPLUID-UHFFFAOYSA-N 0 0 395.429 3.682 20 10 GHCDRN CCOc1nc(C(F)(F)F)ccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000760079037 860453109 /nfs/dbraw/zinc/45/31/09/860453109.db2.gz IXFLAJDDIGZVTM-UHFFFAOYSA-N 0 0 381.398 3.837 20 10 GHCDRN CC(C)c1ccc(OCC(=O)NCc2cccc(Br)c2O)cc1 ZINC000765732608 860514767 /nfs/dbraw/zinc/51/47/67/860514767.db2.gz QUNMIFMHMFSRKL-UHFFFAOYSA-N 0 0 378.266 3.973 20 10 GHCDRN Cc1oc2ccccc2c1CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000186163448 860585623 /nfs/dbraw/zinc/58/56/23/860585623.db2.gz ANNNJEYJGRVLKY-UHFFFAOYSA-N 0 0 393.487 3.919 20 10 GHCDRN Cc1ccc2c(c1)[C@H](NC(=O)NCc1ccc(N3CCC(CO)CC3)cc1)CC2 ZINC000730118668 860883267 /nfs/dbraw/zinc/88/32/67/860883267.db2.gz AKCPAQLUSVIYAR-HSZRJFAPSA-N 0 0 393.531 3.690 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000730168994 860911075 /nfs/dbraw/zinc/91/10/75/860911075.db2.gz OZZWMCCPKFENSZ-SFHVURJKSA-N 0 0 397.494 3.682 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(Br)c(O)c2)cc1 ZINC000763927268 860998484 /nfs/dbraw/zinc/99/84/84/860998484.db2.gz YFAVWCKATFDJDV-UHFFFAOYSA-N 0 0 377.282 3.931 20 10 GHCDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccccc1O)O[C@H](C)C2 ZINC000730590991 861185132 /nfs/dbraw/zinc/18/51/32/861185132.db2.gz ZXQNBPCIRYXFBU-LJHODMEESA-N 0 0 381.472 3.876 20 10 GHCDRN O=C(NCCCSc1nccs1)[C@@H](c1ccccc1)N1CCSCC1 ZINC000733879074 863226961 /nfs/dbraw/zinc/22/69/61/863226961.db2.gz HRWUYWSMIYMCKT-MRXNPFEDSA-N 0 0 393.603 3.532 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)NCc3ccccc3COC)ccc21 ZINC000482519552 863250143 /nfs/dbraw/zinc/25/01/43/863250143.db2.gz OKTIYEOGFAZQQP-UHFFFAOYSA-N 0 0 380.488 3.981 20 10 GHCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@H](c3ncc4n3CCCC4)C2)cc1OC ZINC000281895629 863454249 /nfs/dbraw/zinc/45/42/49/863454249.db2.gz MJMVVIPVCYUWNC-AWEZNQCLSA-N 0 0 386.452 3.529 20 10 GHCDRN CN(C)c1ccc(CN2CCNC(=O)C[C@@H]2c2ccccc2)c(C(F)(F)F)c1 ZINC000792787988 881665684 /nfs/dbraw/zinc/66/56/84/881665684.db2.gz LXZWJXPBAFZSNT-LJQANCHMSA-N 0 0 391.437 3.835 20 10 GHCDRN Cc1c(NC(=O)N2CCOc3cc(N(C)C)ccc32)cnn1-c1ccccc1 ZINC000183249185 863519345 /nfs/dbraw/zinc/51/93/45/863519345.db2.gz KAXPLOYRYKQYCA-UHFFFAOYSA-N 0 0 377.448 3.678 20 10 GHCDRN COc1ccc(O)c(CNC(=O)c2cc3ccc(Br)cc3[nH]2)c1 ZINC000114541152 881670636 /nfs/dbraw/zinc/67/06/36/881670636.db2.gz SBOPYWRCGCSZCF-UHFFFAOYSA-N 0 0 375.222 3.575 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)NC1CCN(c2nc3ccccc3s2)CC1 ZINC000062537650 863548641 /nfs/dbraw/zinc/54/86/41/863548641.db2.gz VNLIFIGWFAZXSI-UHFFFAOYSA-N 0 0 396.516 3.812 20 10 GHCDRN CCOc1ccc(-c2nc(CC(=O)NCc3cc(OC)ccc3O)cs2)cc1 ZINC000114542583 881672241 /nfs/dbraw/zinc/67/22/41/881672241.db2.gz PRHRAKXUYUNOEA-UHFFFAOYSA-N 0 0 398.484 3.782 20 10 GHCDRN O=C1N[C@@H](Cc2cccc3ccccc32)C(=O)N1Cc1ccc(N2CC=CC2)cc1 ZINC000761377111 863726226 /nfs/dbraw/zinc/72/62/26/863726226.db2.gz ASEPPOBGVQFNHO-QHCPKHFHSA-N 0 0 397.478 3.879 20 10 GHCDRN O=C(N[C@H](C[C@H]1CCCO1)C(F)(F)F)c1cc2cc(O)c(O)cc2s1 ZINC000898438067 863855888 /nfs/dbraw/zinc/85/58/88/863855888.db2.gz BACHXBQKNOWLSW-YMTOWFKASA-N 0 0 375.368 3.542 20 10 GHCDRN Cc1ccn2ncc(C(=O)N(Cc3ccco3)Cc3ccc(N(C)C)cc3)c2n1 ZINC000733917430 863868558 /nfs/dbraw/zinc/86/85/58/863868558.db2.gz YWHKXXQLNAVJNA-UHFFFAOYSA-N 0 0 389.459 3.539 20 10 GHCDRN CC[C@H](CC1CCCC1)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000733953116 863889061 /nfs/dbraw/zinc/88/90/61/863889061.db2.gz DBJHANRENMQDRY-HXUWFJFHSA-N 0 0 387.568 3.540 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)CN(C)Cc2ccccc2C(F)(F)F)cc1 ZINC000071842232 863912577 /nfs/dbraw/zinc/91/25/77/863912577.db2.gz OAEBESIIOGEISH-UHFFFAOYSA-N 0 0 393.453 3.862 20 10 GHCDRN C[C@H](c1ccsc1)N1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000184031883 863921166 /nfs/dbraw/zinc/92/11/66/863921166.db2.gz FVIYDUQBYLBPKN-GOSISDBHSA-N 0 0 398.576 3.937 20 10 GHCDRN COc1ccc(O)c(CNC(=O)[C@@H](c2ccccc2)N2CCc3ccccc32)c1 ZINC000734015472 863926132 /nfs/dbraw/zinc/92/61/32/863926132.db2.gz MTQWYAUSPPVIJI-HSZRJFAPSA-N 0 0 388.467 3.821 20 10 GHCDRN COc1ncc(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1 ZINC000734048128 863951866 /nfs/dbraw/zinc/95/18/66/863951866.db2.gz YQSXKQYEFSAICM-UHFFFAOYSA-N 0 0 391.387 3.696 20 10 GHCDRN COc1ccc(O)c(CNC(=O)NCCOc2cccc(Cl)c2Cl)c1 ZINC000734067441 863963715 /nfs/dbraw/zinc/96/37/15/863963715.db2.gz OINOZGLDDVSJGV-UHFFFAOYSA-N 0 0 385.247 3.586 20 10 GHCDRN O=C(NCCOc1cccnc1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000734076033 863970921 /nfs/dbraw/zinc/97/09/21/863970921.db2.gz WNBJYMMDOQMZDE-UHFFFAOYSA-N 0 0 389.415 3.631 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1nncn1-c1ccccc1 ZINC000734123359 864010067 /nfs/dbraw/zinc/01/00/67/864010067.db2.gz KVVODRVOEOQUBG-UHFFFAOYSA-N 0 0 385.471 3.913 20 10 GHCDRN COc1ccc(O)c(CNC(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)c1 ZINC000114580088 881721810 /nfs/dbraw/zinc/72/18/10/881721810.db2.gz IKSLGSJBGPJDPM-UHFFFAOYSA-N 0 0 398.488 3.900 20 10 GHCDRN COc1ccccc1O[C@H](C)CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000172902290 864098619 /nfs/dbraw/zinc/09/86/19/864098619.db2.gz JMSSBAOYBGHERW-MRXNPFEDSA-N 0 0 379.460 3.695 20 10 GHCDRN COc1cccc2c1nc(NC(=O)c1cc(C)n(-c3ccccn3)c1C)n2C ZINC000184150501 864136537 /nfs/dbraw/zinc/13/65/37/864136537.db2.gz WRVUZSHDTXUQOU-UHFFFAOYSA-N 0 0 375.432 3.637 20 10 GHCDRN COC(=O)C[C@H](C)SCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000734369022 864180202 /nfs/dbraw/zinc/18/02/02/864180202.db2.gz WOKPAUJHVIMITI-ZDUSSCGKSA-N 0 0 389.473 3.690 20 10 GHCDRN O=C1/C(=C\c2cnnn2Cc2ccccc2)SC(=S)N1c1ccccc1 ZINC000792867788 881739167 /nfs/dbraw/zinc/73/91/67/881739167.db2.gz YAORCGKHTYGEQY-GZTJUZNOSA-N 0 0 378.482 3.732 20 10 GHCDRN Cc1cc(CC(=O)N[C@H](c2nncn2C)C(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000804257970 864220692 /nfs/dbraw/zinc/22/06/92/864220692.db2.gz JCJMZSIXGGKKRJ-FQEVSTJZSA-N 0 0 399.926 3.932 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000734503043 864257635 /nfs/dbraw/zinc/25/76/35/864257635.db2.gz QUEXCDQTRQGWJO-UHFFFAOYSA-N 0 0 387.332 3.987 20 10 GHCDRN CO[C@@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1 ZINC000173024457 864270765 /nfs/dbraw/zinc/27/07/65/864270765.db2.gz FVOIQRSLNVMLDP-QFBILLFUSA-N 0 0 390.430 3.761 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(-c2cc(=O)[nH]c(C)n2)cc1 ZINC000734518515 864273117 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GHCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000734954833 864557118 /nfs/dbraw/zinc/55/71/18/864557118.db2.gz NECBURGSYUVVAN-UHFFFAOYSA-N 0 0 382.460 3.701 20 10 GHCDRN CN1CCCc2cc(CNC(=O)NCc3ncc(-c4ccccc4)cn3)ccc21 ZINC000184483985 864568381 /nfs/dbraw/zinc/56/83/81/864568381.db2.gz KATFWSSSHBGACJ-UHFFFAOYSA-N 0 0 387.487 3.525 20 10 GHCDRN CCCN(CC(F)F)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173383326 864657855 /nfs/dbraw/zinc/65/78/55/864657855.db2.gz DRRKDYGLFHUIRL-ZDUSSCGKSA-N 0 0 391.409 3.944 20 10 GHCDRN CCOC(=O)CC[C@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897164864 864678340 /nfs/dbraw/zinc/67/83/40/864678340.db2.gz FSMNZNPLICDVKV-GFCCVEGCSA-N 0 0 377.462 3.508 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000173395183 864703906 /nfs/dbraw/zinc/70/39/06/864703906.db2.gz BVBFJBOLZARPMY-UHFFFAOYSA-N 0 0 393.270 3.833 20 10 GHCDRN O=C1/C(=C/c2cccc3c2OCO3)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000735332231 864729845 /nfs/dbraw/zinc/72/98/45/864729845.db2.gz 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/nfs/dbraw/zinc/51/03/67/885510367.db2.gz OGUZANUBUHQPLO-UHFFFAOYSA-N 0 0 383.492 3.534 20 10 GHCDRN C[C@H](NC(=O)C(=O)N[C@H]1CCC[C@H](c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000807543314 885519637 /nfs/dbraw/zinc/51/96/37/885519637.db2.gz MCSHSKBHGXBPSJ-YYWHXJBOSA-N 0 0 393.531 3.772 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1ccc2c(c1)COC(=O)N2 ZINC000861462966 885527547 /nfs/dbraw/zinc/52/75/47/885527547.db2.gz NPGHKPRQEVUCDK-CQSZACIVSA-N 0 0 382.464 3.876 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H](C)Cc1cccs1 ZINC000807626972 885580840 /nfs/dbraw/zinc/58/08/40/885580840.db2.gz CCPSCHARDHACHD-INIZCTEOSA-N 0 0 388.533 3.577 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3ccc(SC(F)(F)F)nc3)C2)cc1 ZINC001131030754 885621188 /nfs/dbraw/zinc/62/11/88/885621188.db2.gz VCCISJSWEXEYJN-ZDUSSCGKSA-N 0 0 397.422 3.711 20 10 GHCDRN Cc1ccc(C(C)(C)CN(C)C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000807672950 885622878 /nfs/dbraw/zinc/62/28/78/885622878.db2.gz KNRNXATVXWYXGT-SFHVURJKSA-N 0 0 395.547 3.674 20 10 GHCDRN Cc1cc([C@H](NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C2CC2)ccc1F ZINC000807677343 885626242 /nfs/dbraw/zinc/62/62/42/885626242.db2.gz NTTOEQBARWKLLO-QVKFZJNVSA-N 0 0 397.494 3.645 20 10 GHCDRN Cc1ccc([C@@H](C)N(C)C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000807676517 885626341 /nfs/dbraw/zinc/62/63/41/885626341.db2.gz HDWHRUMUEKRPPX-QZTJIDSGSA-N 0 0 381.520 3.766 20 10 GHCDRN Cc1cc(CN2CC[NH+](Cc3c4c(ccc3O)oc3c4CCCC3)CC2)no1 ZINC000054441347 885640058 /nfs/dbraw/zinc/64/00/58/885640058.db2.gz IWSUPSRFYZHNBG-UHFFFAOYSA-N 0 0 381.476 3.631 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c(C)n1-c1ccccn1 ZINC000807719837 885699796 /nfs/dbraw/zinc/69/97/96/885699796.db2.gz SXHARVCKSZETLM-WMZOPIPTSA-N 0 0 398.507 3.617 20 10 GHCDRN COCc1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OC ZINC000861632269 885712110 /nfs/dbraw/zinc/71/21/10/885712110.db2.gz DVZZKGMFSANEON-INIZCTEOSA-N 0 0 399.491 3.561 20 10 GHCDRN CC[C@@H]1CN(C(=O)c2cc(C)n(-c3ccccc3Br)c2C)C[C@H]1O ZINC000762209054 885727567 /nfs/dbraw/zinc/72/75/67/885727567.db2.gz IPWURVNFQLBXIV-RDTXWAMCSA-N 0 0 391.309 3.700 20 10 GHCDRN Cc1cc(C(=O)N2CCC(Cn3ccnn3)CC2)c(C)n1-c1cccc(Cl)c1 ZINC000155003621 885847813 /nfs/dbraw/zinc/84/78/13/885847813.db2.gz AUWFJHDEMQTHCX-UHFFFAOYSA-N 0 0 397.910 3.891 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCC[C@H]2c2ncon2)ccc1C ZINC000861794202 885867173 /nfs/dbraw/zinc/86/71/73/885867173.db2.gz YTEAHMCPLXPNON-SFHVURJKSA-N 0 0 378.432 3.575 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCOC[C@H](C2CCC2)C1 ZINC000861814349 885884509 /nfs/dbraw/zinc/88/45/09/885884509.db2.gz IFWUTMAMXBPVPI-HXUWFJFHSA-N 0 0 380.488 3.795 20 10 GHCDRN CC(C)n1ncc2cc(S(=O)(=O)N(C)Cc3ccc(N(C)C)cc3)ccc21 ZINC000762281173 885932280 /nfs/dbraw/zinc/93/22/80/885932280.db2.gz KIVHDFDGCIEAOQ-UHFFFAOYSA-N 0 0 386.521 3.504 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H]2CCOC3(CCC3)C2)c1 ZINC000861893470 885965659 /nfs/dbraw/zinc/96/56/59/885965659.db2.gz CHOLIGCLQGWODR-GOSISDBHSA-N 0 0 380.488 3.986 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000808094155 886012122 /nfs/dbraw/zinc/01/21/22/886012122.db2.gz DBFDDTAAWOAPON-UHFFFAOYSA-N 0 0 375.248 3.880 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)c1ccc2ncccc2c1 ZINC001212202573 886016083 /nfs/dbraw/zinc/01/60/83/886016083.db2.gz SUROSAMOUXDBSF-INIZCTEOSA-N 0 0 383.517 3.519 20 10 GHCDRN COC(OC)[C@H](C)NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000808151762 886059384 /nfs/dbraw/zinc/05/93/84/886059384.db2.gz OYRCNUJETSJAGD-LBPRGKRZSA-N 0 0 395.297 3.594 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(SC3CCCC3)cc2)c1 ZINC000862023876 886060596 /nfs/dbraw/zinc/06/05/96/886060596.db2.gz MTTLDAYMUKNGRT-UHFFFAOYSA-N 0 0 384.501 3.990 20 10 GHCDRN CSc1nc(C(C)(C)C)nc(C)c1C(=O)NCc1ccc2cccnc2c1O ZINC000862026976 886063691 /nfs/dbraw/zinc/06/36/91/886063691.db2.gz FVMWGANXRWOEIK-UHFFFAOYSA-N 0 0 396.516 3.988 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC[C@H]2[C@@H]2CCCOC2)cc1 ZINC000862089323 886094176 /nfs/dbraw/zinc/09/41/76/886094176.db2.gz CDQTYBUVMXRJSP-OFNKIYASSA-N 0 0 394.515 3.867 20 10 GHCDRN CC(C)(C)OC(=O)[C@H]1CN(Cc2cc3oc4ccccc4c3cc2O)CCO1 ZINC000747464934 886098872 /nfs/dbraw/zinc/09/88/72/886098872.db2.gz DAVLGSJRGTXWHV-HXUWFJFHSA-N 0 0 383.444 3.834 20 10 GHCDRN CCc1noc(C)c1NC(=O)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC000862108209 886116051 /nfs/dbraw/zinc/11/60/51/886116051.db2.gz BGFNDYYYXZFDQR-UHFFFAOYSA-N 0 0 394.475 3.516 20 10 GHCDRN CCc1nc(NC(=O)C(=O)NCc2cc(C)n(-c3ccccc3)c2C)sc1C ZINC000862109079 886118213 /nfs/dbraw/zinc/11/82/13/886118213.db2.gz NKZFGXPJRWPNCR-UHFFFAOYSA-N 0 0 396.516 3.676 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)NC[C@@H](O)c3cccc(F)c3)c2C)cc1 ZINC000762384034 886123302 /nfs/dbraw/zinc/12/33/02/886123302.db2.gz AKWIDVSWWLZUMJ-OAQYLSRUSA-N 0 0 382.435 3.705 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000862192726 886201748 /nfs/dbraw/zinc/20/17/48/886201748.db2.gz VYLNQZGNLXPCFT-XZOQPEGZSA-N 0 0 388.467 3.744 20 10 GHCDRN CCOc1cccc(NC(=O)Cn2c3ccc(OC)cc3c3c2CCCC3)n1 ZINC001131216067 886202950 /nfs/dbraw/zinc/20/29/50/886202950.db2.gz GOPVFMPFUOCWGO-UHFFFAOYSA-N 0 0 379.460 3.961 20 10 GHCDRN C[C@@H]1CCCN(C(=O)C2CCN(Cc3cc(F)c(N(C)C)cc3F)CC2)C1 ZINC000862228261 886225695 /nfs/dbraw/zinc/22/56/95/886225695.db2.gz PAIIDUDFXLPWEZ-OAHLLOKOSA-N 0 0 379.495 3.501 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCO[C@H](CC(F)(F)F)C1 ZINC000862233285 886231580 /nfs/dbraw/zinc/23/15/80/886231580.db2.gz JLWOSTRDFJRPRW-MRXNPFEDSA-N 0 0 394.393 3.700 20 10 GHCDRN CN(C)c1cc(F)c(CN2CCC(c3nc(-c4ccccn4)no3)CC2)cc1F ZINC000862237511 886236794 /nfs/dbraw/zinc/23/67/94/886236794.db2.gz RBKUQBZGQTUIDZ-UHFFFAOYSA-N 0 0 399.445 3.855 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(c2ccc(OC)cc2OC)CC1 ZINC001184141280 913024341 /nfs/dbraw/zinc/02/43/41/913024341.db2.gz IUJMINNKKYHMOY-UHFFFAOYSA-N 0 0 382.504 3.850 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(C(=O)NCC(C)C)CC1 ZINC000919745918 886273236 /nfs/dbraw/zinc/27/32/36/886273236.db2.gz LKMZSNQHWMKTHR-UHFFFAOYSA-N 0 0 387.549 3.780 20 10 GHCDRN CN(C)C(=O)N1CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000915303462 886280238 /nfs/dbraw/zinc/28/02/38/886280238.db2.gz CDZFPGGNCBEHQM-UHFFFAOYSA-N 0 0 380.452 3.933 20 10 GHCDRN Cc1ccc([C@@H](NCc2cc(F)c(N(C)C)cc2F)[C@H](C)S(C)(=O)=O)cc1 ZINC000862353074 886311992 /nfs/dbraw/zinc/31/19/92/886311992.db2.gz SMKKAFTWDPXKIB-XOBRGWDASA-N 0 0 396.503 3.603 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCCc2cc(OC)ccc2OC)cc1 ZINC000919790011 886372661 /nfs/dbraw/zinc/37/26/61/886372661.db2.gz HQEOWAVTDFNXGA-UHFFFAOYSA-N 0 0 385.508 3.592 20 10 GHCDRN Cc1ccc(CCCNC(=O)NCc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000919790206 886372772 /nfs/dbraw/zinc/37/27/72/886372772.db2.gz RCDDCZKJOBESAJ-UHFFFAOYSA-N 0 0 381.520 3.572 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3coc(C4CCCCC4)n3)CC2)cc1F ZINC000777271919 886512533 /nfs/dbraw/zinc/51/25/33/886512533.db2.gz KEXMXVXTMNUMIX-UHFFFAOYSA-N 0 0 387.455 3.832 20 10 GHCDRN Cc1n[nH]c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1Br ZINC000919850521 886535542 /nfs/dbraw/zinc/53/55/42/886535542.db2.gz VYUINSRHVKAEBD-UHFFFAOYSA-N 0 0 379.302 3.597 20 10 GHCDRN CC(C)c1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)no1 ZINC000121053011 886538597 /nfs/dbraw/zinc/53/85/97/886538597.db2.gz GHYMQMQXDIORMZ-UHFFFAOYSA-N 0 0 379.407 3.798 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000747516862 886566299 /nfs/dbraw/zinc/56/62/99/886566299.db2.gz PHONHFKEHDRPNR-UHFFFAOYSA-N 0 0 380.286 3.838 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000762642876 886585647 /nfs/dbraw/zinc/58/56/47/886585647.db2.gz NVRUMOVEORIGQR-XEZPLFJOSA-N 0 0 379.457 3.597 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@](O)(c3ccccc3)C2)c(C)n1-c1ccccn1 ZINC000862805833 886635228 /nfs/dbraw/zinc/63/52/28/886635228.db2.gz FEVAKWIQUBCQQW-HSZRJFAPSA-N 0 0 375.472 3.613 20 10 GHCDRN CCN(C(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O)c1cccc(C)c1C ZINC000919877799 886742224 /nfs/dbraw/zinc/74/22/24/886742224.db2.gz BTXKKXJCSYXKJO-KHPPLWFESA-N 0 0 378.476 3.989 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)Nc3cccc(C4OCCO4)c3)CC2)cc1 ZINC000808849756 886874285 /nfs/dbraw/zinc/87/42/85/886874285.db2.gz KDADVIVQBISAFN-UHFFFAOYSA-N 0 0 397.475 3.531 20 10 GHCDRN Cc1cn2c(n1)C[C@H](C(=O)NCc1cc(C)n(-c3cccc(C)c3)c1C)CC2 ZINC000863161125 886897016 /nfs/dbraw/zinc/89/70/16/886897016.db2.gz XRTXJLWEJIWPOY-LJQANCHMSA-N 0 0 376.504 3.786 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@H](O)Cc1c[nH]c2ccccc12 ZINC001184306408 913116816 /nfs/dbraw/zinc/11/68/16/913116816.db2.gz JXDZQHGWIZZSHT-DENIHFKCSA-N 0 0 392.499 3.834 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(-c3ccccc3C)nn2C)c1 ZINC000153646848 887191785 /nfs/dbraw/zinc/19/17/85/887191785.db2.gz PMYUGUIRPRDANV-CQSZACIVSA-N 0 0 380.448 3.992 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000809197501 887192970 /nfs/dbraw/zinc/19/29/70/887192970.db2.gz NJGMRXQRTSKPFH-PXNSSMCTSA-N 0 0 398.478 3.722 20 10 GHCDRN CNC(=O)c1cncc(/C=C\C(=O)N(C)c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000809319706 887296012 /nfs/dbraw/zinc/29/60/12/887296012.db2.gz OWHGXQCALMYFLS-UTCJRWHESA-N 0 0 397.784 3.790 20 10 GHCDRN COc1cccc2c1CC[C@@H]2NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000119635013 887371788 /nfs/dbraw/zinc/37/17/88/887371788.db2.gz FINQOBUAHQHEAY-IERDGZPVSA-N 0 0 395.503 3.580 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)NCC1(c2ccccc2)CCOCC1 ZINC000915757236 887408055 /nfs/dbraw/zinc/40/80/55/887408055.db2.gz WUEFRXYUTNHXKQ-UHFFFAOYSA-N 0 0 393.531 3.834 20 10 GHCDRN Cc1cc(O)c(C[NH2+]Cc2nnc(-c3ccc(Br)cc3)[n-]2)cc1C ZINC000119722623 887479745 /nfs/dbraw/zinc/47/97/45/887479745.db2.gz ABOVBEYKDCFFCK-UHFFFAOYSA-N 0 0 387.281 3.846 20 10 GHCDRN Cc1cc(C(=O)O[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000863951425 887481806 /nfs/dbraw/zinc/48/18/06/887481806.db2.gz UPTHIYFIOVCBRO-GOSISDBHSA-N 0 0 375.490 3.561 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1c(C)oc2ccccc21 ZINC000809498090 887492311 /nfs/dbraw/zinc/49/23/11/887492311.db2.gz GNHYUPBWCFWHSA-UHFFFAOYSA-N 0 0 394.471 3.892 20 10 GHCDRN C[C@](CO)([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccc(Br)cc1 ZINC000809695554 887669784 /nfs/dbraw/zinc/66/97/84/887669784.db2.gz OMIJBRXNYYZWFR-MRXNPFEDSA-N 0 0 388.664 3.945 20 10 GHCDRN Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NCc1cccc(Cl)c1O ZINC000809683216 887703033 /nfs/dbraw/zinc/70/30/33/887703033.db2.gz VCJPLFHKOJCUAQ-UHFFFAOYSA-N 0 0 382.913 3.995 20 10 GHCDRN COc1cc(O)c(CNc2cc(C)cc(I)c2)cc1OC ZINC000809709267 887730943 /nfs/dbraw/zinc/73/09/43/887730943.db2.gz NDIGRXABQUDRRF-UHFFFAOYSA-N 0 0 399.228 3.935 20 10 GHCDRN Cc1ccc(C[C@H]([NH2+]Cc2c(O)cccc2Br)C(=O)[O-])cc1C ZINC000864516703 887820381 /nfs/dbraw/zinc/82/03/81/887820381.db2.gz PFNBWTIVADXWSE-INIZCTEOSA-N 0 0 378.266 3.557 20 10 GHCDRN CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@@]2(C(=O)[O-])CCCOC2)cc1 ZINC000864522568 887825389 /nfs/dbraw/zinc/82/53/89/887825389.db2.gz QSCQEBKIQZQQHH-QHCPKHFHSA-N 0 0 382.504 3.684 20 10 GHCDRN 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COc1cc(C)c([C@H](C)NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1OC ZINC000125832855 893030222 /nfs/dbraw/zinc/03/02/22/893030222.db2.gz RKLHPBKQHWHEPE-KRWDZBQOSA-N 0 0 395.503 3.949 20 10 GHCDRN COCCOc1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000918037539 893036307 /nfs/dbraw/zinc/03/63/07/893036307.db2.gz UWGHESJSRRSYJE-UHFFFAOYSA-N 0 0 383.492 3.974 20 10 GHCDRN CCCN(CCO)C(=O)c1cc(C)n(-c2ccccc2Br)c1C ZINC000918069087 893057664 /nfs/dbraw/zinc/05/76/64/893057664.db2.gz MWZGSNDRESDRFR-UHFFFAOYSA-N 0 0 379.298 3.701 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)NC[C@H]2COc3ccccc3C2)C2CC2)cc1 ZINC000918058839 893073992 /nfs/dbraw/zinc/07/39/92/893073992.db2.gz XBVKEEYHTAPHOO-SFHVURJKSA-N 0 0 379.504 3.678 20 10 GHCDRN Cc1ccc2snc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c2c1 ZINC000814824810 893208136 /nfs/dbraw/zinc/20/81/36/893208136.db2.gz LLCLDHHJMFVGIL-UHFFFAOYSA-N 0 0 381.501 3.714 20 10 GHCDRN CN(Cc1ccc(N2CCC(O)CC2)cc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000876551996 893223475 /nfs/dbraw/zinc/22/34/75/893223475.db2.gz 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O=C(CCCOCc1ccccc1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000126434289 893540882 /nfs/dbraw/zinc/54/08/82/893540882.db2.gz DFQISAYPEJAITL-UHFFFAOYSA-N 0 0 396.531 3.509 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3c[nH]nc3-c3ccc(F)cc3)CC2)cc1 ZINC000918369821 893557361 /nfs/dbraw/zinc/55/73/61/893557361.db2.gz VSBIWTZJLHNZTQ-UHFFFAOYSA-N 0 0 394.450 3.577 20 10 GHCDRN COc1ccccc1C1(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000825953103 893560763 /nfs/dbraw/zinc/56/07/63/893560763.db2.gz WSIQZZRKPWNGAX-QGZVFWFLSA-N 0 0 395.503 3.581 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N3CCc4cc(Cl)nnc4C3)cc2)CC1 ZINC000825958129 893569303 /nfs/dbraw/zinc/56/93/03/893569303.db2.gz XLTZSZULLWAGCF-UHFFFAOYSA-N 0 0 399.926 3.634 20 10 GHCDRN Cn1nc(Br)cc1/C=C1/SC(=S)N(c2ccc(F)cc2)C1=O ZINC000778243614 893620030 /nfs/dbraw/zinc/62/00/30/893620030.db2.gz AJPBIGATWTWORC-IZZDOVSWSA-N 0 0 398.282 3.728 20 10 GHCDRN O=C(c1cc2c(cc1F)NC(=O)CC2)N(Cc1ccco1)Cc1ccccc1O ZINC000126524427 893620835 /nfs/dbraw/zinc/62/08/35/893620835.db2.gz IVOITNUGJDOACU-UHFFFAOYSA-N 0 0 394.402 3.852 20 10 GHCDRN Cc1nccn1CCCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000918420779 893684831 /nfs/dbraw/zinc/68/48/31/893684831.db2.gz VGQFGMSUBZDBRI-UHFFFAOYSA-N 0 0 390.447 3.752 20 10 GHCDRN O=C(Nc1ccnn1C1CCOCC1)N(Cc1ccco1)Cc1ccccc1O ZINC000934641505 893770894 /nfs/dbraw/zinc/77/08/94/893770894.db2.gz IZALGUPDKMIMPV-UHFFFAOYSA-N 0 0 396.447 3.768 20 10 GHCDRN Cc1cc(C(=O)CN2CC[C@H](O)[C@H](C)C2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000778258777 893777899 /nfs/dbraw/zinc/77/78/99/893777899.db2.gz UHEGKZPMSQMVSJ-YJYMSZOUSA-N 0 0 394.437 3.998 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2ccnn2[C@H]2CCCOC2)cc1 ZINC000934698689 893826061 /nfs/dbraw/zinc/82/60/61/893826061.db2.gz OPUDMNQVABAPPK-IBGZPJMESA-N 0 0 385.512 3.745 20 10 GHCDRN CC(C)CN1CC(=O)N[C@H]1c1ccc(N2CCCCC2)c(Br)c1 ZINC000877849695 893852311 /nfs/dbraw/zinc/85/23/11/893852311.db2.gz LFXXOAINDWKRNZ-GOSISDBHSA-N 0 0 380.330 3.526 20 10 GHCDRN C[C@@H]([NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815625989 894057668 /nfs/dbraw/zinc/05/76/68/894057668.db2.gz RSVCMILSXVXVEA-ZIAGYGMSSA-N 0 0 385.430 3.742 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](c2ccc(SC)cc2)N(C)C)c1 ZINC000815659458 894074548 /nfs/dbraw/zinc/07/45/48/894074548.db2.gz CCZPIFSYNGICTB-KUHUBIRLSA-N 0 0 388.533 3.854 20 10 GHCDRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC000827978455 894085817 /nfs/dbraw/zinc/08/58/17/894085817.db2.gz UFUYEOKXXABGBF-GQIGUUNPSA-N 0 0 380.488 3.569 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3cc(-c4ccccc4)on3)CC2)cc1F ZINC000126970320 894102930 /nfs/dbraw/zinc/10/29/30/894102930.db2.gz LTYSQXMXBCXNEG-UHFFFAOYSA-N 0 0 396.422 3.843 20 10 GHCDRN O=C(Cc1c[nH]c2cnc(Cl)cc12)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000935033096 894134120 /nfs/dbraw/zinc/13/41/20/894134120.db2.gz AMZWYAPZFURFQK-INIZCTEOSA-N 0 0 399.878 3.672 20 10 GHCDRN COc1c([O-])c(C[N@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774869577 913840330 /nfs/dbraw/zinc/84/03/30/913840330.db2.gz MOYJAXBUIIDSEQ-PXNSSMCTSA-N 0 0 386.448 3.909 20 10 GHCDRN C[C@@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)C(C)(F)F ZINC000815710148 894144328 /nfs/dbraw/zinc/14/43/28/894144328.db2.gz DLZTTZIAHLNRSO-XJKSGUPXSA-N 0 0 399.482 3.726 20 10 GHCDRN Cc1cc(C(=O)COC(=O)C[C@H]2CCC(=O)[C@H]2C)c(C)n1-c1cccc(F)c1 ZINC000796237497 913846404 /nfs/dbraw/zinc/84/64/04/913846404.db2.gz RZZKUHZDZZLZOV-GOEBONIOSA-N 0 0 385.435 3.964 20 10 GHCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CC[C@H](O)C12CCCC2 ZINC000815800219 894218044 /nfs/dbraw/zinc/21/80/44/894218044.db2.gz PYKAMOBFEVJHHE-IBGZPJMESA-N 0 0 392.459 3.947 20 10 GHCDRN O=C(COc1ccc(Cl)c(F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000815860508 894276531 /nfs/dbraw/zinc/27/65/31/894276531.db2.gz ORELPVGGXAYKHB-MRXNPFEDSA-N 0 0 393.842 3.771 20 10 GHCDRN COC(=O)c1cc(C(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)c[nH]1 ZINC000815951578 894354190 /nfs/dbraw/zinc/35/41/90/894354190.db2.gz JHEHRUOOBVKFBF-OAHLLOKOSA-N 0 0 378.428 3.911 20 10 GHCDRN CCN(CC(=O)NCc1ccc(F)cc1)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000748051410 894605060 /nfs/dbraw/zinc/60/50/60/894605060.db2.gz UYCZMLIUHFIMHV-UHFFFAOYSA-N 0 0 392.858 3.526 20 10 GHCDRN CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2O)[C@H]1n1cccn1 ZINC000826089637 894811058 /nfs/dbraw/zinc/81/10/58/894811058.db2.gz MAIXIIVAZVFBFM-USXIJHARSA-N 0 0 394.313 3.638 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)c1ccc(OC(F)F)c(F)c1 ZINC000816496444 894862943 /nfs/dbraw/zinc/86/29/43/894862943.db2.gz KLZSLACIUYIXTG-UHFFFAOYSA-N 0 0 390.155 3.825 20 10 GHCDRN CC[C@H](CO)NC(=O)Cc1ccc(NCc2ccc3ccccc3c2O)cc1 ZINC000816523847 894921919 /nfs/dbraw/zinc/92/19/19/894921919.db2.gz HEFJTPHSBVCSCJ-LJQANCHMSA-N 0 0 378.472 3.587 20 10 GHCDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000816552958 894938786 /nfs/dbraw/zinc/93/87/86/894938786.db2.gz CKMJWKTXRBILRW-VBKZILBWSA-N 0 0 378.875 3.564 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)c1ccc(OC(F)F)c(F)c1 ZINC000816653716 894997515 /nfs/dbraw/zinc/99/75/15/894997515.db2.gz FNUARWFLIQISDX-UHFFFAOYSA-N 0 0 390.155 3.825 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCCCCN2C(=O)OC(C)(C)C)cc1 ZINC001135690480 895058210 /nfs/dbraw/zinc/05/82/10/895058210.db2.gz VWGALVVXUVAFBG-IBGZPJMESA-N 0 0 389.540 3.891 20 10 GHCDRN CO[C@@H]1CC[C@H]2OCCN(C(=O)c3cc(C)n(-c4ccccc4C)c3C)[C@@H]2C1 ZINC000127783443 895083006 /nfs/dbraw/zinc/08/30/06/895083006.db2.gz KOOIMAXPMQXGKQ-STZQEDGTSA-N 0 0 382.504 3.811 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2CCO[C@@H](c3cnn(C)c3)C2)c(C)n1-c1ccccc1C ZINC000816774089 895091800 /nfs/dbraw/zinc/09/18/00/895091800.db2.gz QCJLTCDPBKUCNU-DENIHFKCSA-N 0 0 392.503 3.786 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000760323197 895188153 /nfs/dbraw/zinc/18/81/53/895188153.db2.gz RFBJQFKLTLABJN-VQTJNVASSA-N 0 0 386.927 3.651 20 10 GHCDRN O=C(NCCc1c[nH]c2cc(F)ccc12)NCc1ccc(N2CC=CC2)cc1 ZINC000127944044 895236522 /nfs/dbraw/zinc/23/65/22/895236522.db2.gz JFFOAHPEAXSIQH-UHFFFAOYSA-N 0 0 378.451 3.725 20 10 GHCDRN Cc1ccccc1OCCCN(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000127949953 895238252 /nfs/dbraw/zinc/23/82/52/895238252.db2.gz BQMZQKBOZCHPJB-UHFFFAOYSA-N 0 0 379.504 3.982 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ncc(Br)s1 ZINC001135800963 895292719 /nfs/dbraw/zinc/29/27/19/895292719.db2.gz YFPQADUMRDPFFG-UHFFFAOYSA-N 0 0 380.311 3.778 20 10 GHCDRN C[C@@H](NC(=O)Nc1cccc2c1cc[nH]c2=O)c1ccc(N2CCOCC2)cc1 ZINC000879799585 895295449 /nfs/dbraw/zinc/29/54/49/895295449.db2.gz JZSOCSZQZUQZQQ-OAHLLOKOSA-N 0 0 392.459 3.660 20 10 GHCDRN C[C@H](NC(=O)N1CCC[C@@H](CC(F)(F)F)C1)c1ccc(N2CCOCC2)cc1 ZINC000817156947 895355507 /nfs/dbraw/zinc/35/55/07/895355507.db2.gz WNFFRNLCVLSRIN-HOTGVXAUSA-N 0 0 399.457 3.958 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(C(N)=O)cc1OC(C)C ZINC000817347966 895512109 /nfs/dbraw/zinc/51/21/09/895512109.db2.gz SGQDLKHHEKMOBV-UHFFFAOYSA-N 0 0 385.464 3.722 20 10 GHCDRN Cc1cc(C(=O)N2CCN(c3cccc(O)c3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000128249584 895558092 /nfs/dbraw/zinc/55/80/92/895558092.db2.gz DIDFIAJAHLMPCF-UHFFFAOYSA-N 0 0 393.462 3.901 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccn(C2CCSCC2)n1 ZINC000880352598 895653375 /nfs/dbraw/zinc/65/33/75/895653375.db2.gz OXDSPWFYZLLREW-UHFFFAOYSA-N 0 0 383.521 3.649 20 10 GHCDRN COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000880475658 895723595 /nfs/dbraw/zinc/72/35/95/895723595.db2.gz GNFJLNTYOAWIFC-OCBCSQNSSA-N 0 0 384.432 3.560 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccccc2-n2nc(C)cc2C)c1 ZINC000128477719 895737190 /nfs/dbraw/zinc/73/71/90/895737190.db2.gz HXGNGFNPIQFUEL-MRXNPFEDSA-N 0 0 394.475 3.764 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)Nc1cc(F)c(F)c(F)c1F ZINC000880676005 895802659 /nfs/dbraw/zinc/80/26/59/895802659.db2.gz VTYJQTHQFRYOPR-UHFFFAOYSA-N 0 0 397.372 3.526 20 10 GHCDRN Cc1c(C)n(C)c2ccc(OC(=O)COc3ccc4c(c3)CCC(=O)N4)cc12 ZINC000817761606 895892821 /nfs/dbraw/zinc/89/28/21/895892821.db2.gz NFUZOLOAEUBILX-UHFFFAOYSA-N 0 0 378.428 3.664 20 10 GHCDRN Cc1c(C)n(C)c2ccc(OC(=O)Cc3csc(N4CCCC4=O)n3)cc12 ZINC000817761667 895893226 /nfs/dbraw/zinc/89/32/26/895893226.db2.gz NSLFWJQCCROSJK-UHFFFAOYSA-N 0 0 383.473 3.527 20 10 GHCDRN Cc1ccc(C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)c(O)c1O ZINC000817767819 895896281 /nfs/dbraw/zinc/89/62/81/895896281.db2.gz BJYFKNCWAPQRHZ-CQSZACIVSA-N 0 0 390.277 3.874 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1ccc(C(=O)OC)s1 ZINC000817805054 895897745 /nfs/dbraw/zinc/89/77/45/895897745.db2.gz IDDSLUNGLDSXBX-UHFFFAOYSA-N 0 0 376.478 3.752 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N3C[C@H](CO)c4ccccc43)c2C)cc1 ZINC000817791880 895912884 /nfs/dbraw/zinc/91/28/84/895912884.db2.gz XZVZAHLJSPJXFY-QGZVFWFLSA-N 0 0 376.456 3.839 20 10 GHCDRN CCOc1nc2cc(C(=O)N(C)Cc3ccc(N4CCCC4)cc3)ccc2[nH]1 ZINC001136025269 895925144 /nfs/dbraw/zinc/92/51/44/895925144.db2.gz DPELPRMFLRWQBP-UHFFFAOYSA-N 0 0 378.476 3.834 20 10 GHCDRN Cc1ccc([C@H](C)NC(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)cc1C ZINC000302834567 914025147 /nfs/dbraw/zinc/02/51/47/914025147.db2.gz VDJUQPYKYBIBIA-UGKGYDQZSA-N 0 0 396.531 3.867 20 10 GHCDRN C[C@@H]([NH2+]C[C@H]1CCCCN1)c1cc(Br)cc(Br)c1[O-] ZINC000817950092 895975399 /nfs/dbraw/zinc/97/53/99/895975399.db2.gz RREYQOFUFFJMSW-MWLCHTKSSA-N 0 0 392.135 3.710 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3cnccc3C(F)(F)F)C2)cc1 ZINC000880962404 896028248 /nfs/dbraw/zinc/02/82/48/896028248.db2.gz GPXDBKPJOYOVBL-GFCCVEGCSA-N 0 0 380.370 3.509 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC[C@@](O)(COc2ccc(N3CCCC3)cc2)CC1 ZINC000818170269 896055237 /nfs/dbraw/zinc/05/52/37/896055237.db2.gz HNBDOLOIYWGAPG-QFIPXVFZSA-N 0 0 390.524 3.818 20 10 GHCDRN CC(=O)c1cc(Cl)cc(Cn2cc(CN[C@H]3CCc4ccccc43)nn2)c1O ZINC000880999974 896058385 /nfs/dbraw/zinc/05/83/85/896058385.db2.gz WOUWZBQSDDGPDO-FQEVSTJZSA-N 0 0 396.878 3.665 20 10 GHCDRN CCCOc1cccc(CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000128777648 896108781 /nfs/dbraw/zinc/10/87/81/896108781.db2.gz WDZPZNPJVJVNKE-NRFANRHFSA-N 0 0 383.488 3.931 20 10 GHCDRN C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)n1cc(COc2ccc(N)cc2)nn1 ZINC000881165557 896215116 /nfs/dbraw/zinc/21/51/16/896215116.db2.gz NIIWMLUJIFBMCT-UONOGXRCSA-N 0 0 399.882 3.531 20 10 GHCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cc2c(s1)CCOC2 ZINC000128945409 896290451 /nfs/dbraw/zinc/29/04/51/896290451.db2.gz WYNBNESMKUTCOS-UHFFFAOYSA-N 0 0 389.432 3.849 20 10 GHCDRN COC1CCN(c2ccc(Cn3cc(CN(C)c4ccccc4)nn3)cc2)CC1 ZINC000881379509 896315914 /nfs/dbraw/zinc/31/59/14/896315914.db2.gz SNZPOZMIUJOQEN-UHFFFAOYSA-N 0 0 391.519 3.578 20 10 GHCDRN COc1ccc(N2CCN(C(=O)CCc3cccc(OC(F)F)c3)CC2)cc1 ZINC000819004275 896321890 /nfs/dbraw/zinc/32/18/90/896321890.db2.gz MGWFCIVVZVKHDV-UHFFFAOYSA-N 0 0 390.430 3.578 20 10 GHCDRN O=C1CN(Cc2ccccc2O)C(=O)N1c1ccc(COC2CCCC2)cc1 ZINC000819008428 896324378 /nfs/dbraw/zinc/32/43/78/896324378.db2.gz RISFEHWGRDDLFR-UHFFFAOYSA-N 0 0 380.444 3.820 20 10 GHCDRN Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000129153249 896432463 /nfs/dbraw/zinc/43/24/63/896432463.db2.gz NNQPFRHFLOAATI-VQTJNVASSA-N 0 0 382.479 3.515 20 10 GHCDRN C[C@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)c1ccc(C(F)(F)F)cc1 ZINC000819170618 896444483 /nfs/dbraw/zinc/44/44/83/896444483.db2.gz JZYRMRIQXBSPBC-CYBMUJFWSA-N 0 0 392.377 3.979 20 10 GHCDRN Cc1cccc2c(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)coc21 ZINC000819302146 896540307 /nfs/dbraw/zinc/54/03/07/896540307.db2.gz NVNZZVODSRGWLT-UHFFFAOYSA-N 0 0 378.472 3.880 20 10 GHCDRN CCO[C@@H]1C[C@@H](NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)[C@H]1n1cccn1 ZINC000819398637 896624360 /nfs/dbraw/zinc/62/43/60/896624360.db2.gz NIARRFARPAWJEW-NJDAHSKKSA-N 0 0 396.466 3.578 20 10 GHCDRN Cc1cc(C(=O)N2CC3(C2)CCOC3)c(C)n1-c1cccc(Br)c1 ZINC000819384933 896656157 /nfs/dbraw/zinc/65/61/57/896656157.db2.gz TTYDIISGXJRRGM-UHFFFAOYSA-N 0 0 389.293 3.719 20 10 GHCDRN CCOC(=O)N(C)c1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000774926091 914091631 /nfs/dbraw/zinc/09/16/31/914091631.db2.gz GPGNFVRURJIPQL-UHFFFAOYSA-N 0 0 375.381 3.514 20 10 GHCDRN O[C@@H](CNc1ccccc1OC[C@@H]1CCCCO1)COc1cccc2[nH]ccc21 ZINC000819425572 896725836 /nfs/dbraw/zinc/72/58/36/896725836.db2.gz DHRDELZPGAMABA-ROUUACIJSA-N 0 0 396.487 3.968 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(CC)cc1O ZINC000819519260 896806211 /nfs/dbraw/zinc/80/62/11/896806211.db2.gz QQXIFORHJVTAKT-UHFFFAOYSA-N 0 0 398.503 3.957 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)CCc3ccc([C@@H]4C[C@H]4C)o3)C2)cc1 ZINC000819580339 896820997 /nfs/dbraw/zinc/82/09/97/896820997.db2.gz HXRIQSBCMLEEEQ-CBGDNZLLSA-N 0 0 382.504 3.987 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)CCc3ccc([C@H]4C[C@@H]4C)o3)C2)cc1 ZINC000819580341 896821197 /nfs/dbraw/zinc/82/11/97/896821197.db2.gz HXRIQSBCMLEEEQ-FVJLSDCUSA-N 0 0 382.504 3.987 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)CCCOc3ccc(F)cc3)C2)cc1 ZINC000819581306 896823470 /nfs/dbraw/zinc/82/34/70/896823470.db2.gz XVUDMOBPZFKYJQ-QGZVFWFLSA-N 0 0 386.467 3.636 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)CCCOc3ccc(F)cc3)C2)cc1 ZINC000819581305 896823585 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GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3ccc(C(F)(F)F)c(O)c3)C2)cc1 ZINC000819587681 896837935 /nfs/dbraw/zinc/83/79/35/896837935.db2.gz GTKDYODVYGZKLO-ZDUSSCGKSA-N 0 0 394.393 3.676 20 10 GHCDRN CCc1c(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)cnn1C1CCCC1 ZINC000819590352 896839045 /nfs/dbraw/zinc/83/90/45/896839045.db2.gz YISDKOACXUTRBX-KRWDZBQOSA-N 0 0 396.535 3.826 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)Cc3cccc(Cl)c3F)C2)cc1 ZINC000819591307 896840192 /nfs/dbraw/zinc/84/01/92/896840192.db2.gz QUTJBQUEGWDZQD-CQSZACIVSA-N 0 0 376.859 3.673 20 10 GHCDRN CCCC(=O)Nc1cccc(CNC(=O)c2cc3cc(O)c(O)cc3s2)c1 ZINC001136253982 896949702 /nfs/dbraw/zinc/94/97/02/896949702.db2.gz CPEWHMJKFFEIFV-UHFFFAOYSA-N 0 0 384.457 3.981 20 10 GHCDRN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000130035692 896961449 /nfs/dbraw/zinc/96/14/49/896961449.db2.gz YLMLXOADIWCUIA-OAQYLSRUSA-N 0 0 377.488 3.993 20 10 GHCDRN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC1C[C@H]2C[C@H]2C1 ZINC000819792433 897005842 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/nfs/dbraw/zinc/82/33/32/899823332.db2.gz XDAJBUWHJYRDNZ-ZANVPECISA-N 0 0 393.119 3.774 20 10 GHCDRN O=C(Nc1ccc(C(F)F)nc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000824818219 899824315 /nfs/dbraw/zinc/82/43/15/899824315.db2.gz HSRQPNWNOOXXHP-OAHLLOKOSA-N 0 0 377.391 3.938 20 10 GHCDRN CCN(CC)c1ccc(CNc2cc(NS(C)(=O)=O)ccc2OC)cc1F ZINC000824886700 899884822 /nfs/dbraw/zinc/88/48/22/899884822.db2.gz IRABQXWFTMKHHM-UHFFFAOYSA-N 0 0 395.500 3.664 20 10 GHCDRN CCCCOc1ccccc1CNc1cc(CNS(C)(=O)=O)ccc1OC ZINC000824935171 899896658 /nfs/dbraw/zinc/89/66/58/899896658.db2.gz AWTSCLCRDOOWAN-UHFFFAOYSA-N 0 0 392.521 3.535 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Cc2ccccc2O[C@H]2CCOC2)cc1 ZINC000825327597 900095542 /nfs/dbraw/zinc/09/55/42/900095542.db2.gz SYGZXNLLENTSSI-NRFANRHFSA-N 0 0 382.504 3.559 20 10 GHCDRN COc1ccc([C@@H]2C[C@H]2C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000825425625 900161516 /nfs/dbraw/zinc/16/15/16/900161516.db2.gz FCJZOBSKLHPEST-FCHUYYIVSA-N 0 0 380.488 3.593 20 10 GHCDRN Cc1cccc2nc(NCc3ccc(N4CCC(C(N)=O)CC4)cc3)sc21 ZINC000884693688 900235948 /nfs/dbraw/zinc/23/59/48/900235948.db2.gz KKBJMWDULKLKRN-UHFFFAOYSA-N 0 0 380.517 3.919 20 10 GHCDRN CCc1cc2c(ncnc2NCc2ccc(N3CCC(C(N)=O)CC3)cc2)s1 ZINC000884694092 900237038 /nfs/dbraw/zinc/23/70/38/900237038.db2.gz AKEYLBYGIIKWRH-UHFFFAOYSA-N 0 0 395.532 3.568 20 10 GHCDRN CC(C)(C)OC(=O)CC1(C(=O)NCc2cc(Br)ccc2O)CCC1 ZINC000843887421 900290211 /nfs/dbraw/zinc/29/02/11/900290211.db2.gz UTSOHNDTHPEHOS-UHFFFAOYSA-N 0 0 398.297 3.673 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@@H](C)C(=O)OC(C)(C)C)cc1 ZINC001143653048 900291229 /nfs/dbraw/zinc/29/12/29/900291229.db2.gz VESZZAPOXOTYEZ-OAHLLOKOSA-N 0 0 398.503 3.543 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000031730351 900540605 /nfs/dbraw/zinc/54/06/05/900540605.db2.gz DICJTRXLYXDWPU-HNNXBMFYSA-N 0 0 380.492 3.662 20 10 GHCDRN COC1CCC(CC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000136344748 900633444 /nfs/dbraw/zinc/63/34/44/900633444.db2.gz CBKIPDACNPLBCH-UPTPFMHGSA-N 0 0 396.478 3.968 20 10 GHCDRN COc1cccc(CNC(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)c1O ZINC000289983725 914466645 /nfs/dbraw/zinc/46/66/45/914466645.db2.gz BGORDLMJRNMXOV-UHFFFAOYSA-N 0 0 392.477 3.764 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NCCc3cc4ccccc4[nH]3)CC2)cc1 ZINC000136725143 900746607 /nfs/dbraw/zinc/74/66/07/900746607.db2.gz GRKXKVGRNJWVGG-UHFFFAOYSA-N 0 0 392.503 3.641 20 10 GHCDRN CCC(=O)Nc1ccc(C)c(NC(=O)N(C)CCN(C)c2ccc(OC)cc2)c1 ZINC000844507243 900953733 /nfs/dbraw/zinc/95/37/33/900953733.db2.gz QOCNXJJHKHOPEI-UHFFFAOYSA-N 0 0 398.507 3.952 20 10 GHCDRN C[C@@H](C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1 ZINC000844561900 901006604 /nfs/dbraw/zinc/00/66/04/901006604.db2.gz ASAROWFXYFILOU-CYBMUJFWSA-N 0 0 394.849 3.875 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2cccc(N3CCNC3=O)c2)cc1F ZINC000066906897 901026787 /nfs/dbraw/zinc/02/67/87/901026787.db2.gz ZNOFKBHQLWCUMP-UHFFFAOYSA-N 0 0 399.470 3.523 20 10 GHCDRN COc1cc(OC)cc([C@@H](N[C@@H](C)c2c(O)cccc2F)c2nccn2C)c1 ZINC000886498808 901080817 /nfs/dbraw/zinc/08/08/17/901080817.db2.gz QRCBJFFJHOMVOU-RNODOKPDSA-N 0 0 385.439 3.722 20 10 GHCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000158181527 901095980 /nfs/dbraw/zinc/09/59/80/901095980.db2.gz NHPLJCXTLLYDCW-QHCPKHFHSA-N 0 0 387.439 3.565 20 10 GHCDRN C[C@@H]([NH2+]Cc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)c1c([O-])cccc1F ZINC000886607418 901187085 /nfs/dbraw/zinc/18/70/85/901187085.db2.gz RCVWFQIVZHHFTH-MCMMXHMISA-N 0 0 397.450 3.607 20 10 GHCDRN COC(=O)c1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1OC ZINC000844778328 901258719 /nfs/dbraw/zinc/25/87/19/901258719.db2.gz NYLVCWZQQTZGSY-UHFFFAOYSA-N 0 0 397.475 3.744 20 10 GHCDRN COC[C@H]([NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-])[C@H]1CCCOC1 ZINC000886788921 901274934 /nfs/dbraw/zinc/27/49/34/901274934.db2.gz KZFCKXFZBWBUEU-ZETOZRRWSA-N 0 0 392.721 3.900 20 10 GHCDRN Cc1nn(-c2ccccc2)cc1CCCNC(=O)N(C)Cc1ccccc1O ZINC000047051176 901278121 /nfs/dbraw/zinc/27/81/21/901278121.db2.gz CNXWSZRXONZYMO-UHFFFAOYSA-N 0 0 378.476 3.661 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)c2cnc(-c3ccccc3)nc2C)cc1 ZINC000844855284 901361762 /nfs/dbraw/zinc/36/17/62/901361762.db2.gz TZBYMCHJAHFCSD-UHFFFAOYSA-N 0 0 390.487 3.669 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccc(OC(F)F)c(F)c2)cc1 ZINC000844855893 901364560 /nfs/dbraw/zinc/36/45/60/901364560.db2.gz CUGHHMQIZJKMGY-UHFFFAOYSA-N 0 0 382.382 3.644 20 10 GHCDRN CSc1ccc(CCC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000826532002 901403913 /nfs/dbraw/zinc/40/39/13/901403913.db2.gz VZXRGVDZFAPSFP-UHFFFAOYSA-N 0 0 384.545 3.619 20 10 GHCDRN O=C(C[C@@H]1C[C@H]1Cc1ccccc1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000826532025 901404918 /nfs/dbraw/zinc/40/49/18/901404918.db2.gz WQVOHTIAXVBKGN-RTWAWAEBSA-N 0 0 378.516 3.533 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000844852442 901445742 /nfs/dbraw/zinc/44/57/42/901445742.db2.gz IYHREEXWRNDBDN-UHFFFAOYSA-N 0 0 383.404 3.558 20 10 GHCDRN CC[C@@H](NC(=O)NCc1cc(Cl)ccc1O)c1ccc2c(c1)OCCO2 ZINC000844904449 901488925 /nfs/dbraw/zinc/48/89/25/901488925.db2.gz MQCJYKCQBNPVOW-OAHLLOKOSA-N 0 0 376.840 3.767 20 10 GHCDRN C[C@H](NC(=O)NCC[C@]1(C)C[C@]1(F)Cl)c1ccc(N2CCOCC2)cc1 ZINC000844925040 901537793 /nfs/dbraw/zinc/53/77/93/901537793.db2.gz AFBWUDMYUAKCCY-GDIGMMSISA-N 0 0 383.895 3.588 20 10 GHCDRN CC(C)(C)OC(=O)NCC[C@H]1CN(C(=O)/C=C/c2cnccn2)c2ccccc21 ZINC000887229860 901608596 /nfs/dbraw/zinc/60/85/96/901608596.db2.gz BNYULRFJMMEHOU-FDMDGMSGSA-N 0 0 394.475 3.535 20 10 GHCDRN Cc1cccc(N2CCC[N@H+](Cc3cc(Br)c(F)cc3[O-])CC2)n1 ZINC001144306577 901685924 /nfs/dbraw/zinc/68/59/24/901685924.db2.gz HQLXMZIZPLRSEC-UHFFFAOYSA-N 0 0 394.288 3.710 20 10 GHCDRN CC(C)c1noc2nc(-c3ccco3)cc(C(=O)NCc3ccc(O)c(O)c3)c21 ZINC000778930247 901830044 /nfs/dbraw/zinc/83/00/44/901830044.db2.gz QPXOSNJBCAMBQU-UHFFFAOYSA-N 0 0 393.399 3.947 20 10 GHCDRN Cc1cc(F)ccc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000047353169 901908191 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O=S(=O)(Cc1ccc(Cl)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000845864680 902467954 /nfs/dbraw/zinc/46/79/54/902467954.db2.gz GRNARZNOBLZJOL-GOSISDBHSA-N 0 0 395.908 3.557 20 10 GHCDRN C[C@H](O)[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1F ZINC000846019020 902603048 /nfs/dbraw/zinc/60/30/48/902603048.db2.gz XHVFCKBCUJOSJG-BTYIYWSLSA-N 0 0 387.455 3.936 20 10 GHCDRN COCCNC(=O)c1ccc(NC/C=C\c2ccc(N(C)C)cc2)cc1Cl ZINC000846058676 902614287 /nfs/dbraw/zinc/61/42/87/902614287.db2.gz QYUWRLLAGMEWFK-PLNGDYQASA-N 0 0 387.911 3.908 20 10 GHCDRN COc1cc(OC)cc([C@H](N[C@@H](C)c2cccc(OC)c2O)c2nccn2C)c1 ZINC000846139346 902747343 /nfs/dbraw/zinc/74/73/43/902747343.db2.gz RNDRITUYNIHIDB-XOBRGWDASA-N 0 0 397.475 3.592 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H](c4nc(C)no4)C3)ccc21 ZINC000263993702 902748325 /nfs/dbraw/zinc/74/83/25/902748325.db2.gz HXAGQBAYOJNVNL-SFHVURJKSA-N 0 0 396.491 3.616 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)Nc2ncc(C(C)(C)O)s2)CCCC1 ZINC000846185446 902773801 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O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000096506033 914698597 /nfs/dbraw/zinc/69/85/97/914698597.db2.gz UCYAUPSZWHTZAX-UHFFFAOYSA-N 0 0 386.363 3.551 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]3OCc4ccccc43)cc2F)C[C@H](C)O1 ZINC000846823824 903216397 /nfs/dbraw/zinc/21/63/97/903216397.db2.gz AHBQDQULSXUTCU-DMPWYTOCSA-N 0 0 398.478 3.717 20 10 GHCDRN Cc1c2ccccc2c(=O)oc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000846799908 903227380 /nfs/dbraw/zinc/22/73/80/903227380.db2.gz BWFQPXAQYHVFBJ-UHFFFAOYSA-N 0 0 376.456 3.972 20 10 GHCDRN Cc1ccc(Cl)cc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000132387302 903249841 /nfs/dbraw/zinc/24/98/41/903249841.db2.gz ZNDGBIVGSFQVAA-UHFFFAOYSA-N 0 0 376.859 3.679 20 10 GHCDRN O=C(Nc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cn1)C1CC1 ZINC000772955884 903283462 /nfs/dbraw/zinc/28/34/62/903283462.db2.gz UGBOZCRKBZJHJB-UHFFFAOYSA-N 0 0 395.463 3.941 20 10 GHCDRN Cc1nn(C(C)C)cc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000846897255 903295309 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NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)cc1 ZINC001146936330 903643472 /nfs/dbraw/zinc/64/34/72/903643472.db2.gz SYMVGJPVSZARFR-CYBMUJFWSA-N 0 0 385.855 3.759 20 10 GHCDRN CC(C)CCn1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000159620316 903719719 /nfs/dbraw/zinc/71/97/19/903719719.db2.gz FATAMWXHVVWFHF-KRWDZBQOSA-N 0 0 385.512 3.649 20 10 GHCDRN CC[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)Cc1cccc(Br)c1 ZINC001147270749 903751278 /nfs/dbraw/zinc/75/12/78/903751278.db2.gz OCOMVSLBBVJLIL-CYBMUJFWSA-N 0 0 392.293 3.788 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC001147888286 903892333 /nfs/dbraw/zinc/89/23/33/903892333.db2.gz MZJSKYANTLMSHJ-OAQYLSRUSA-N 0 0 397.494 3.672 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)COc2ccccc2OCc2ccccc2)c1 ZINC001147956451 903931639 /nfs/dbraw/zinc/93/16/39/903931639.db2.gz DTLRJOYHWGXNOU-UHFFFAOYSA-N 0 0 377.440 3.975 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)c2cnn(-c3ccc(Br)cc3)c2)c1 ZINC001147957299 903933119 /nfs/dbraw/zinc/93/31/19/903933119.db2.gz 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CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)c1cncnc1N ZINC001189112881 916386164 /nfs/dbraw/zinc/38/61/64/916386164.db2.gz ABLRSUAAJTVSEP-UHFFFAOYSA-N 0 0 384.483 3.751 20 10 GHCDRN CC1(C)CN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)[C@H]1c1ccncc1 ZINC000293906235 916462758 /nfs/dbraw/zinc/46/27/58/916462758.db2.gz MBAQLAAASNFTKQ-PABBZOGXSA-N 0 0 377.488 3.541 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CCc3ncccc3C2)CCCC1 ZINC000649857473 916480460 /nfs/dbraw/zinc/48/04/60/916480460.db2.gz DMDUEFLVJUGKHY-UHFFFAOYSA-N 0 0 375.472 3.509 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CCc3ncsc3C2)CCCC1 ZINC000649948881 916552993 /nfs/dbraw/zinc/55/29/93/916552993.db2.gz HBQFAWRMEBHJMW-UHFFFAOYSA-N 0 0 381.501 3.570 20 10 GHCDRN Cc1cc(-c2noc(CN[C@@H](C)c3ccc(N4CCOCC4)cc3)n2)ccc1F ZINC000775254531 916651265 /nfs/dbraw/zinc/65/12/65/916651265.db2.gz KPBNPZZUEPVMCN-INIZCTEOSA-N 0 0 396.466 3.872 20 10 GHCDRN CCN(CC)C(=O)c1c(F)ccc(F)c1C(=O)NCc1c(C)cc(C)cc1O ZINC001189484010 916705078 /nfs/dbraw/zinc/70/50/78/916705078.db2.gz 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COc1ccc(N2CCN([C@H](C)C(=O)Nc3c(C)cccc3Cl)CC2)cc1 ZINC000754322918 1022619289 /nfs/dbraw/zinc/61/92/89/1022619289.db2.gz MWRCIRQZHMCIFS-MRXNPFEDSA-N 0 0 387.911 3.806 20 10 GHCDRN CN(c1ccc(CNC(=O)c2ccc3nnn(C)c3c2)cc1)C1CCCCC1 ZINC000754377340 1022652918 /nfs/dbraw/zinc/65/29/18/1022652918.db2.gz WZRWYTOJTXJQGA-UHFFFAOYSA-N 0 0 377.492 3.667 20 10 GHCDRN CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c(O)c1 ZINC001140853107 1022703930 /nfs/dbraw/zinc/70/39/30/1022703930.db2.gz MGEHWLHVNCZOKR-MOPGFXCFSA-N 0 0 389.540 3.822 20 10 GHCDRN CCN(CC)c1ccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C2)c(O)c1 ZINC001140856300 1022712547 /nfs/dbraw/zinc/71/25/47/1022712547.db2.gz WRGCPCBFUXLATO-ZWKOTPCHSA-N 0 0 395.519 3.676 20 10 GHCDRN C[C@@H](NC(=O)N1CCCc2ccccc2CC1)c1ccc(N2CCOCC2)cc1 ZINC000836255325 1022780023 /nfs/dbraw/zinc/78/00/23/1022780023.db2.gz HFNKZKZTMFAPIA-LJQANCHMSA-N 0 0 393.531 3.785 20 10 GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CC1CC(OC(C)(C)C)C1 ZINC000754664185 1022818018 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399.539 3.507 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCc2ccc(Cl)c(OC)c2)c1 ZINC000836493010 1023028951 /nfs/dbraw/zinc/02/89/51/1023028951.db2.gz KXVXUPFVFLBBJS-LBPRGKRZSA-N 0 0 378.856 3.666 20 10 GHCDRN CC(C)[C@H]1CCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1 ZINC000755125254 1023084299 /nfs/dbraw/zinc/08/42/99/1023084299.db2.gz AOHHHAVLUSSJOQ-NUJGCVRESA-N 0 0 377.504 3.627 20 10 GHCDRN CC[C@H]1CCCC[C@@H]1CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000836551705 1023106785 /nfs/dbraw/zinc/10/67/85/1023106785.db2.gz VXXHVIVYVVJHNG-ZWKOTPCHSA-N 0 0 391.531 3.802 20 10 GHCDRN Oc1ccc([C@@H]2CN(Cc3ncco3)CCc3c(Cl)c(O)c(O)cc32)cc1 ZINC001141011225 1023200236 /nfs/dbraw/zinc/20/02/36/1023200236.db2.gz VVFFCHMKJAXRNG-INIZCTEOSA-N 0 0 386.835 3.635 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000755337431 1023203486 /nfs/dbraw/zinc/20/34/86/1023203486.db2.gz NTLHEKNZWDVABI-JKSUJKDBSA-N 0 0 377.529 3.698 20 10 GHCDRN O=C(Cc1cccc(F)c1F)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000755355484 1023211573 /nfs/dbraw/zinc/21/15/73/1023211573.db2.gz CMXVCCDDWZTANB-CQSZACIVSA-N 0 0 396.384 3.894 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)Nc3cc(F)cc(F)c3F)CC2)cc1 ZINC000836660898 1023222459 /nfs/dbraw/zinc/22/24/59/1023222459.db2.gz CIEZSEPHOHIHSL-UHFFFAOYSA-N 0 0 379.382 3.903 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NCC1(C2CCC2)CCC1 ZINC000836671987 1023235232 /nfs/dbraw/zinc/23/52/32/1023235232.db2.gz JUWBFPVVPJZHGA-UHFFFAOYSA-N 0 0 389.515 3.556 20 10 GHCDRN Cc1c(Br)nccc1NC(=O)NCCCSc1nccs1 ZINC000836682441 1023249491 /nfs/dbraw/zinc/24/94/91/1023249491.db2.gz QRQDCDUZAYNMIP-UHFFFAOYSA-N 0 0 387.328 3.913 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3sc(C)nc3CC(C)C)CC2)cc1F ZINC000755452176 1023255131 /nfs/dbraw/zinc/25/51/31/1023255131.db2.gz FVZWXMYHUIZLAU-UHFFFAOYSA-N 0 0 391.512 3.760 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Nc3ccc([C@@H]4CCOC4)cc3)CC2)cc1 ZINC000836697379 1023269073 /nfs/dbraw/zinc/26/90/73/1023269073.db2.gz MSRRAFYKDDPNMC-LJQANCHMSA-N 0 0 395.503 3.943 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2nc(CC(F)(F)F)cs2)c1 ZINC000836703340 1023274908 /nfs/dbraw/zinc/27/49/08/1023274908.db2.gz DHWLMAOROYFMFI-QMMMGPOBSA-N 0 0 375.372 3.845 20 10 GHCDRN Cc1cc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc(C(N)=O)c1 ZINC000836736036 1023323896 /nfs/dbraw/zinc/32/38/96/1023323896.db2.gz UHAVLBYJJMVMAJ-UHFFFAOYSA-N 0 0 380.492 3.652 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000836974574 1023535511 /nfs/dbraw/zinc/53/55/11/1023535511.db2.gz ISBWTDIYQKRNCP-XMSQKQJNSA-N 0 0 392.503 3.786 20 10 GHCDRN Cc1cc(C(=O)N[C@]2(C)CCOC2)c(C)n1-c1ccccc1Br ZINC000756203265 1023554453 /nfs/dbraw/zinc/55/44/53/1023554453.db2.gz IYDRKWRVOXQUSK-GOSISDBHSA-N 0 0 377.282 3.765 20 10 GHCDRN Cc1cc(C(=O)N[C@]2(C)CCOC2)c(C)n1-c1cccc(Br)c1 ZINC000756211048 1023556071 /nfs/dbraw/zinc/55/60/71/1023556071.db2.gz PYKFHNPMGUOSLT-GOSISDBHSA-N 0 0 377.282 3.765 20 10 GHCDRN CC(=O)N1CCCC[C@H]1C(=O)OCC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000756229493 1023559639 /nfs/dbraw/zinc/55/96/39/1023559639.db2.gz SHDIMFPETYXPIN-NRFANRHFSA-N 0 0 396.487 3.529 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(OCC(F)(F)F)cc2)c1 ZINC000756366861 1023611065 /nfs/dbraw/zinc/61/10/65/1023611065.db2.gz JLZPSFFXDHHHHB-GFCCVEGCSA-N 0 0 383.366 3.971 20 10 GHCDRN C[C@@H]([NH2+]CCCN1CCCCCC1=O)c1cc(Br)c(F)cc1[O-] ZINC000756372051 1023613964 /nfs/dbraw/zinc/61/39/64/1023613964.db2.gz NVEQPKVCEQWBGR-GFCCVEGCSA-N 0 0 387.293 3.737 20 10 GHCDRN C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1cc(Br)c(F)cc1[O-] ZINC000756379454 1023619557 /nfs/dbraw/zinc/61/95/57/1023619557.db2.gz NVOOXWJTDQSHKT-NSHDSACASA-N 0 0 395.272 3.846 20 10 GHCDRN COc1ccc([C@H](O)C[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])cc1 ZINC000756383011 1023622186 /nfs/dbraw/zinc/62/21/86/1023622186.db2.gz VGOJJFSAIDSAGA-BMLIUANNSA-N 0 0 384.245 3.687 20 10 GHCDRN C[C@H](NC(=O)NCc1c(O)cccc1F)c1ccc(F)c(Br)c1 ZINC001228866909 1033148824 /nfs/dbraw/zinc/14/88/24/1033148824.db2.gz GVPXGHFFSBTLCG-VIFPVBQESA-N 0 0 385.208 3.993 20 10 GHCDRN C[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1cc(Br)cc(Cl)c1[O-] ZINC000756483363 1023680673 /nfs/dbraw/zinc/68/06/73/1023680673.db2.gz MRWMUWPNQKYDNB-LLVKDONJSA-N 0 0 397.700 3.889 20 10 GHCDRN C[C@@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756536382 1023703509 /nfs/dbraw/zinc/70/35/09/1023703509.db2.gz VGHROVYRHFCOFG-CYBMUJFWSA-N 0 0 379.457 3.741 20 10 GHCDRN COc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1[O-])C2 ZINC000756539243 1023704063 /nfs/dbraw/zinc/70/40/63/1023704063.db2.gz KUVYTCLBSGYUPJ-MFKMUULPSA-N 0 0 396.256 3.957 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756568112 1023715473 /nfs/dbraw/zinc/71/54/73/1023715473.db2.gz BJMSOMUTYNORBN-NWDGAFQWSA-N 0 0 394.302 3.727 20 10 GHCDRN C[C@@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756570060 1023716456 /nfs/dbraw/zinc/71/64/56/1023716456.db2.gz UFEOBUKBWCOKQF-OAHLLOKOSA-N 0 0 386.448 3.847 20 10 GHCDRN COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756638024 1023748359 /nfs/dbraw/zinc/74/83/59/1023748359.db2.gz QMWQQFVXIGZDBD-LLVKDONJSA-N 0 0 393.827 3.642 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC000756642615 1023751191 /nfs/dbraw/zinc/75/11/91/1023751191.db2.gz OOVQZXBBCZWYAT-ZWOKBUDYSA-N 0 0 382.504 3.883 20 10 GHCDRN CCOc1ccc([C@H]2CCCN2C(=O)CN(C)c2ccc3c(c2)OCO3)cc1 ZINC000756644325 1023751233 /nfs/dbraw/zinc/75/12/33/1023751233.db2.gz JLZDLAMOYYPRBI-LJQANCHMSA-N 0 0 382.460 3.614 20 10 GHCDRN COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)c2noc(Cc3ccccc3)n2)c1 ZINC000756648844 1023753932 /nfs/dbraw/zinc/75/39/32/1023753932.db2.gz LKXLHTYMUVMJNA-UONOGXRCSA-N 0 0 381.432 3.564 20 10 GHCDRN CN(Cc1nc(-c2cc(Br)cs2)no1)c1ccc2c(c1)OCO2 ZINC000756654754 1023756331 /nfs/dbraw/zinc/75/63/31/1023756331.db2.gz YRPSZOXVTMUNAV-UHFFFAOYSA-N 0 0 394.250 3.926 20 10 GHCDRN C[C@H]([NH2+]CCOc1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756682964 1023773068 /nfs/dbraw/zinc/77/30/68/1023773068.db2.gz QVDAMOCLXCJXEM-NSHDSACASA-N 0 0 381.226 3.793 20 10 GHCDRN CC(C)C(=O)NCCC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756774390 1023810538 /nfs/dbraw/zinc/81/05/38/1023810538.db2.gz COTFGUBJHKJNIB-JTQLQIEISA-N 0 0 377.710 3.621 20 10 GHCDRN C[C@@H]1C[C@H](Nc2ccc(N3CCCS3(=O)=O)cc2)c2c1c(F)ccc2O ZINC000756798258 1023817894 /nfs/dbraw/zinc/81/78/94/1023817894.db2.gz WQNVLNSHAYRCIS-WBMJQRKESA-N 0 0 376.453 3.732 20 10 GHCDRN C[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1cc(Br)cc(Br)c1[O-] ZINC000756818176 1023825629 /nfs/dbraw/zinc/82/56/29/1023825629.db2.gz LNZBUQUSEGNWHV-SFYZADRCSA-N 0 0 381.108 3.727 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3[nH]c(-c4cccc(C)c4)nc3C)CC2)cc1 ZINC000756862288 1023838763 /nfs/dbraw/zinc/83/87/63/1023838763.db2.gz DHSYVULUSOGLEJ-UHFFFAOYSA-N 0 0 390.487 3.665 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756865631 1023839194 /nfs/dbraw/zinc/83/91/94/1023839194.db2.gz TUVLJFRJLURCBH-MGPLVRAMSA-N 0 0 393.802 3.549 20 10 GHCDRN C[C@H](Nc1cnn(CC(=O)NC2CCCC2)c1)c1ccc2ccccc2c1O ZINC000756867980 1023841315 /nfs/dbraw/zinc/84/13/15/1023841315.db2.gz ODJKOZYDYSQJFC-HNNXBMFYSA-N 0 0 378.476 3.974 20 10 GHCDRN Cc1cc(C(=O)CN2CCC(OCCCO)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000756907110 1023857069 /nfs/dbraw/zinc/85/70/69/1023857069.db2.gz IKZIQQLKAXHEKR-UHFFFAOYSA-N 0 0 398.547 3.757 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc2c(c1)[nH]c(=O)n2C1CC1 ZINC000830559523 1023983605 /nfs/dbraw/zinc/98/36/05/1023983605.db2.gz PYVHHODDQQNSJC-UHFFFAOYSA-N 0 0 377.444 3.591 20 10 GHCDRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]1CC(=O)NCc1ccc(O)c(O)c1 ZINC000830558997 1023984602 /nfs/dbraw/zinc/98/46/02/1023984602.db2.gz GBWFQFPVQJMDCA-KRWDZBQOSA-N 0 0 398.459 3.596 20 10 GHCDRN COC[C@]1(CO)CCN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)C1 ZINC000837081291 1024001604 /nfs/dbraw/zinc/00/16/04/1024001604.db2.gz MJJQJMATUIUUEJ-JOCHJYFZSA-N 0 0 396.491 3.639 20 10 GHCDRN COc1ccc(CN2CC[C@]3(CCC[N@H+](Cc4cccc(F)c4[O-])C3)C2=O)cc1 ZINC001138124846 1024169399 /nfs/dbraw/zinc/16/93/99/1024169399.db2.gz AHZZQLHBTYHXPO-QHCPKHFHSA-N 0 0 398.478 3.555 20 10 GHCDRN COc1ccc(CN2CC[C@@]3(CCC[N@H+](Cc4cccc(F)c4[O-])C3)C2=O)cc1 ZINC001138124845 1024169754 /nfs/dbraw/zinc/16/97/54/1024169754.db2.gz AHZZQLHBTYHXPO-HSZRJFAPSA-N 0 0 398.478 3.555 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCO[C@H](c3nccn3C)C2)c(C)n1-c1ccccc1C ZINC000837179394 1024194438 /nfs/dbraw/zinc/19/44/38/1024194438.db2.gz VENRFXJFKSUAOF-RXVVDRJESA-N 0 0 392.503 3.786 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCc1ccc(Br)cc1 ZINC001138152181 1024247532 /nfs/dbraw/zinc/24/75/32/1024247532.db2.gz BUXMEWPKLMSLDD-CYBMUJFWSA-N 0 0 392.293 3.930 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@@]2(C)CCO[C@H]2C2CC2)ccc1C ZINC001138168210 1024287195 /nfs/dbraw/zinc/28/71/95/1024287195.db2.gz AHMHLYUPZJOVAA-GMAHTHKFSA-N 0 0 380.488 3.902 20 10 GHCDRN NC(=O)N=Nc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC001141272827 1024358265 /nfs/dbraw/zinc/35/82/65/1024358265.db2.gz GUZLAGBXEPLRQD-UHFFFAOYSA-N 0 0 377.360 3.947 20 10 GHCDRN Cc1c(CN2Cc3cncn3C[C@@H](COCC3CC3)C2)c2ccccc2n1C ZINC001138254049 1024475305 /nfs/dbraw/zinc/47/53/05/1024475305.db2.gz OSOKBLWGXITOHJ-IBGZPJMESA-N 0 0 378.520 3.742 20 10 GHCDRN Cc1c(CN2Cc3nccn3C[C@H](COCC3CC3)C2)c2ccccc2n1C ZINC001138255930 1024480804 /nfs/dbraw/zinc/48/08/04/1024480804.db2.gz YCDMVTROKGRLGW-LJQANCHMSA-N 0 0 378.520 3.742 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2ccc(C3CC3)cn2)c(C)n1-c1ccc(F)cn1 ZINC000837576249 1024561032 /nfs/dbraw/zinc/56/10/32/1024561032.db2.gz DGRRJSIBHRJVQA-UHFFFAOYSA-N 0 0 393.418 3.940 20 10 GHCDRN CCc1nc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)co1 ZINC000837647077 1024608065 /nfs/dbraw/zinc/60/80/65/1024608065.db2.gz UXOJIJHHSZVWGB-UHFFFAOYSA-N 0 0 387.823 3.733 20 10 GHCDRN Cc1cc(CC(=O)NCc2ccc([C@@H](C)O)c(C)n2)c(C)n1-c1ccccc1 ZINC000831525807 1024618385 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CON1CCC(N(C)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1 ZINC000837974638 1024854535 /nfs/dbraw/zinc/85/45/35/1024854535.db2.gz YXTQAPPHZKMPHI-UHFFFAOYSA-N 0 0 388.556 3.623 20 10 GHCDRN COc1ccc(N2CCN(Cc3ccc(OC(F)F)c(OC)c3)CC2)c(C)c1 ZINC001138555843 1025013529 /nfs/dbraw/zinc/01/35/29/1025013529.db2.gz TZAXDCXLEHPILU-UHFFFAOYSA-N 0 0 392.446 3.936 20 10 GHCDRN Cc1cc(CC(=O)N2CCC(OC[C@@H]3CCOC3)CC2)c(C)n1-c1ccccc1 ZINC000832017757 1025134803 /nfs/dbraw/zinc/13/48/03/1025134803.db2.gz PEHXTJAXPTYIEV-HXUWFJFHSA-N 0 0 396.531 3.681 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)N[C@H]2CCO[C@@H](c3ccncc3)C2)C2CC2)cc1 ZINC000838679805 1025287479 /nfs/dbraw/zinc/28/74/79/1025287479.db2.gz CRSGQCPKIXZXJK-SIKLNZKXSA-N 0 0 394.519 3.742 20 10 GHCDRN C[C@H]1C[C@H](NC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)c2nccn21 ZINC000838689822 1025298947 /nfs/dbraw/zinc/29/89/47/1025298947.db2.gz KIFJKYLGRGUPFY-JXFKEZNVSA-N 0 0 393.491 3.960 20 10 GHCDRN C[C@@H]1C[C@H](NC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)c2nccn21 ZINC000838689827 1025299210 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3.790 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1(c2ccccc2)CCOCC1 ZINC000840555963 1027614947 /nfs/dbraw/zinc/61/49/47/1027614947.db2.gz JUYMDTHSTLOULH-LJQANCHMSA-N 0 0 380.532 3.857 20 10 GHCDRN Cc1ncc(NC(=O)NCc2ccc(N(C)C)c(F)c2)cc1Br ZINC001210715859 1027619877 /nfs/dbraw/zinc/61/98/77/1027619877.db2.gz REDNJFNJFJDABF-UHFFFAOYSA-N 0 0 381.249 3.679 20 10 GHCDRN CS(=O)(=O)Cn1cc(Nc2ccc(Cl)cc2C(=O)c2ccccc2)cn1 ZINC001210788102 1027652729 /nfs/dbraw/zinc/65/27/29/1027652729.db2.gz XSTYCULHYKIDKA-UHFFFAOYSA-N 0 0 389.864 3.513 20 10 GHCDRN CC1CC[NH+](Cc2cccc(CNC(=O)NCc3c(O)cccc3F)c2)CC1 ZINC001210807022 1027657531 /nfs/dbraw/zinc/65/75/31/1027657531.db2.gz SROVFDFPKPXLKR-UHFFFAOYSA-N 0 0 385.483 3.763 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(Cc2ccc(O)c(O)c2)[C@H](c2cccs2)C1 ZINC001203881657 1027677446 /nfs/dbraw/zinc/67/74/46/1027677446.db2.gz SHFJFRLPQLMFLU-HNNXBMFYSA-N 0 0 390.505 3.953 20 10 GHCDRN NC(=O)Cc1cccc(C(=O)c2ccccc2)c1Nc1ccc(F)cc1[N+](=O)[O-] ZINC001210954153 1027718265 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CC(C)(C)c1cc(NC(=O)NCCc2ccc(N)cc2)n(-c2ccccn2)n1 ZINC000841187376 1028260352 /nfs/dbraw/zinc/26/03/52/1028260352.db2.gz UXZFNCXUNQDVKJ-UHFFFAOYSA-N 0 0 378.480 3.511 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)C1(C(F)(F)F)CCCC1 ZINC000841257649 1028342897 /nfs/dbraw/zinc/34/28/97/1028342897.db2.gz RCQPOIZYBFPPPW-UHFFFAOYSA-N 0 0 392.368 3.540 20 10 GHCDRN COc1cccc(CNC(=O)c2nn(-c3ccccc3F)c3c2CCCC3)c1O ZINC000841404978 1028578509 /nfs/dbraw/zinc/57/85/09/1028578509.db2.gz ITBVJVMLSSVIBT-UHFFFAOYSA-N 0 0 395.434 3.534 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC000841434457 1028625196 /nfs/dbraw/zinc/62/51/96/1028625196.db2.gz LBUSRZCXLMHQKW-IAGOWNOFSA-N 0 0 390.277 3.591 20 10 GHCDRN COC1(C(F)(F)F)CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000841583162 1028745820 /nfs/dbraw/zinc/74/58/20/1028745820.db2.gz SFZXXBZZNJDOAO-UHFFFAOYSA-N 0 0 385.430 3.540 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1ccc2c(c1)CCC(=O)N2C ZINC000841621137 1028783657 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GHCDRN C[C@H](CCC[C@H](C)C(=O)[O-])[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841794797 1028942176 /nfs/dbraw/zinc/94/21/76/1028942176.db2.gz JLQWWRQNDQALHF-JKSUJKDBSA-N 0 0 377.485 3.954 20 10 GHCDRN NC(=O)c1c(F)cc(Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1F ZINC001214917737 1028965376 /nfs/dbraw/zinc/96/53/76/1028965376.db2.gz PNQPRWZWWXJHCL-UHFFFAOYSA-N 0 0 378.334 3.583 20 10 GHCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 ZINC001142517399 1029022631 /nfs/dbraw/zinc/02/26/31/1029022631.db2.gz LZARBUXDAFTCBP-IBGZPJMESA-N 0 0 395.400 3.803 20 10 GHCDRN O=C1CCC2(CC[NH+](Cc3cc(F)c(F)cc3[O-])CC2)N1Cc1ccccc1 ZINC001142521050 1029023364 /nfs/dbraw/zinc/02/33/64/1029023364.db2.gz VLDPZFJSJIVANZ-UHFFFAOYSA-N 0 0 386.442 3.828 20 10 GHCDRN [NH3+]CCC[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1[O-])c1ccccc1 ZINC000841993704 1029024231 /nfs/dbraw/zinc/02/42/31/1029024231.db2.gz ALRXGWJDRZKRAH-INIZCTEOSA-N 0 0 382.291 3.978 20 10 GHCDRN O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@@H+](Cc1cc(F)c(F)cc1[O-])C2 ZINC001142521100 1029024455 /nfs/dbraw/zinc/02/44/55/1029024455.db2.gz XOHAKWMEDCXJGT-QFIPXVFZSA-N 0 0 384.426 3.571 20 10 GHCDRN Oc1cccc(-c2nc(-c3cc(F)cc(I)c3)no2)c1O ZINC001215145990 1029059237 /nfs/dbraw/zinc/05/92/37/1029059237.db2.gz VQXDFQFDBLXYSC-UHFFFAOYSA-N 0 0 398.131 3.559 20 10 GHCDRN CC(=O)c1ccc(-c2noc(-c3cccc(O)c3O)n2)c(Br)c1 ZINC001215145919 1029059581 /nfs/dbraw/zinc/05/95/81/1029059581.db2.gz RBZNUHZFYJYXNQ-UHFFFAOYSA-N 0 0 375.178 3.780 20 10 GHCDRN Cc1cc(-c2noc(-c3ccc(O)c(O)c3)n2)ccc1I ZINC001215304342 1029141332 /nfs/dbraw/zinc/14/13/32/1029141332.db2.gz LDSGFPJABOCILH-UHFFFAOYSA-N 0 0 394.168 3.728 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)N1C(=O)CN(Cc2ccc(F)cc2)C1=O ZINC000842265232 1029174123 /nfs/dbraw/zinc/17/41/23/1029174123.db2.gz RHHLMQGOUAZPHW-INIZCTEOSA-N 0 0 383.467 3.596 20 10 GHCDRN NC(=O)Cc1cccc(C(=O)c2ccccc2)c1Nc1cc2n[nH]cc2c(F)c1 ZINC001215557107 1029280592 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GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3ccc(C(=O)NC(C)C)cc3)C2)cc1 ZINC000842879934 1029659160 /nfs/dbraw/zinc/65/91/60/1029659160.db2.gz SVPJFTVDXJIRMI-KRWDZBQOSA-N 0 0 396.487 3.517 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)Cc3c(C)nn(CC(C)C)c3C)C2)cc1 ZINC000842880976 1029659803 /nfs/dbraw/zinc/65/98/03/1029659803.db2.gz IJUKHVIPJGHTFR-LJQANCHMSA-N 0 0 399.535 3.777 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2ccc(C(F)(F)F)cn2)cc1 ZINC001216610618 1029702290 /nfs/dbraw/zinc/70/22/90/1029702290.db2.gz HFLDLLLLXCBURR-UHFFFAOYSA-N 0 0 382.386 3.709 20 10 GHCDRN CCn1c(CSc2ccccc2[N+](=O)[O-])nnc1N(C)Cc1ccccc1O ZINC000842962029 1029721451 /nfs/dbraw/zinc/72/14/51/1029721451.db2.gz CBFBSGDBSLZBLA-UHFFFAOYSA-N 0 0 399.476 3.841 20 10 GHCDRN CCCc1ccc(N2C[C@@H](c3nc(Cc4ccc(N)cc4)no3)CC2=O)cc1 ZINC000843159594 1029835447 /nfs/dbraw/zinc/83/54/47/1029835447.db2.gz BUSSUUUSYYKHII-KRWDZBQOSA-N 0 0 376.460 3.716 20 10 GHCDRN CC(C)c1ccc(N2CC[C@H](c3nc(Cc4ccc(N)cc4)no3)C2=O)cc1 ZINC000843161901 1029836072 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Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2cnn(-c3ncccn3)c2)c1 ZINC001318692328 1054799259 /nfs/dbraw/zinc/79/92/59/1054799259.db2.gz NMHGQUIJZVPPSL-UHFFFAOYSA-N 0 0 392.850 3.976 20 10 GHCDRN C[C@H](CN(C)c1nnc(C2SC=CC2=O)n1CC1CC1)c1nccs1 ZINC001345203707 1054939427 /nfs/dbraw/zinc/93/94/27/1054939427.db2.gz ZZANTIVSEMJGLH-LLVKDONJSA-N 0 0 375.523 3.819 20 10 GHCDRN CC1(C)CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1(C)C ZINC001318899977 1054941687 /nfs/dbraw/zinc/94/16/87/1054941687.db2.gz DHGDVZZCIBWSTG-UHFFFAOYSA-N 0 0 399.457 3.872 20 10 GHCDRN COc1cc(F)cc(F)c1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001318974672 1054974583 /nfs/dbraw/zinc/97/45/83/1054974583.db2.gz QEWNIZQQZYZOKQ-UHFFFAOYSA-N 0 0 398.475 3.639 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)cc1 ZINC001319030932 1054999464 /nfs/dbraw/zinc/99/94/64/1054999464.db2.gz PMABCAGJGWGPPE-MOPGFXCFSA-N 0 0 389.540 3.795 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001319169448 1055075550 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/nfs/dbraw/zinc/96/41/54/870964154.db2.gz MELAMBRYEISSNY-UHFFFAOYSA-N 0 0 399.756 3.587 20 10 GHCDRN C[C@H](Cc1ccccc1Br)NC(=O)c1ccc(O)c(O)c1Cl ZINC001193246999 870973582 /nfs/dbraw/zinc/97/35/82/870973582.db2.gz GYECEUBYLPJAAW-SECBINFHSA-N 0 0 384.657 3.875 20 10 GHCDRN CCOc1cccc(S(=O)(=O)NCc2cc(C)n(-c3ccccc3)c2C)c1 ZINC001193464705 871111892 /nfs/dbraw/zinc/11/18/92/871111892.db2.gz DMGWNSQUASKCTH-UHFFFAOYSA-N 0 0 384.501 3.971 20 10 GHCDRN CC(C)[C@H]1CCCN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001193499719 871130407 /nfs/dbraw/zinc/13/04/07/871130407.db2.gz ZNTXWGPZOAUXTH-INIZCTEOSA-N 0 0 390.483 3.769 20 10 GHCDRN CC1CCC(CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000793950525 882497144 /nfs/dbraw/zinc/49/71/44/882497144.db2.gz WTDMNQKCERSZDG-UHFFFAOYSA-N 0 0 385.552 3.578 20 10 GHCDRN Cc1ccc(S(=O)(=O)N2CCCc3cc(O)c(O)cc3C2)c2ccccc12 ZINC001193854362 871353878 /nfs/dbraw/zinc/35/38/78/871353878.db2.gz LFKSIUPGMBBWMT-UHFFFAOYSA-N 0 0 383.469 3.697 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H](C)c1ccc(F)cc1 ZINC000793938644 882512193 /nfs/dbraw/zinc/51/21/93/882512193.db2.gz PVLSDEJDMVONNH-QGZVFWFLSA-N 0 0 399.510 3.549 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC[C@H](C)c2ccc(F)cc2)cc1 ZINC000793938027 882513982 /nfs/dbraw/zinc/51/39/82/882513982.db2.gz NGUWFFDRTHNJFN-KRWDZBQOSA-N 0 0 399.510 3.550 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1cccc(N2CCOCC2)c1 ZINC000525826834 871508604 /nfs/dbraw/zinc/50/86/04/871508604.db2.gz ODKFUDIMBLINRA-UHFFFAOYSA-N 0 0 378.476 3.645 20 10 GHCDRN CN(C)c1ccc(CN(C2CC2)S(=O)(=O)Cc2c(F)cccc2F)cc1 ZINC000766777362 871726365 /nfs/dbraw/zinc/72/63/65/871726365.db2.gz XOXHJODHWDFPSO-UHFFFAOYSA-N 0 0 380.460 3.525 20 10 GHCDRN CCN(Cc1ccccc1O)S(=O)(=O)c1cccc2c(Cl)nccc21 ZINC001194488897 871744243 /nfs/dbraw/zinc/74/42/43/871744243.db2.gz XEBWXVWFPSQPKC-UHFFFAOYSA-N 0 0 376.865 3.805 20 10 GHCDRN CCN(CC(=O)Nc1ccc(OC(F)F)cc1)c1ccc(OC)c(OC)c1 ZINC000921061626 882556322 /nfs/dbraw/zinc/55/63/22/882556322.db2.gz IUSLRNIMNGCZKF-UHFFFAOYSA-N 0 0 380.391 3.770 20 10 GHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CSCc2cccnc2)cc1 ZINC000103413600 871910254 /nfs/dbraw/zinc/91/02/54/871910254.db2.gz LJTLTSHQLPQRMG-UHFFFAOYSA-N 0 0 397.466 3.972 20 10 GHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cccc3c2OCCO3)cc1 ZINC000103413554 871910621 /nfs/dbraw/zinc/91/06/21/871910621.db2.gz IGPGGTSTFPXGAO-UHFFFAOYSA-N 0 0 394.393 3.729 20 10 GHCDRN Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)c(O)c1O ZINC000182151586 871919384 /nfs/dbraw/zinc/91/93/84/871919384.db2.gz WWNLVLSJTOLVOF-UHFFFAOYSA-N 0 0 396.365 3.514 20 10 GHCDRN COc1ccc2nc(CN3CCN(c4ccc(OC)c(F)c4)CC3)sc2c1 ZINC000775613051 871984426 /nfs/dbraw/zinc/98/44/26/871984426.db2.gz KBXIANJCYWHLBL-UHFFFAOYSA-N 0 0 387.480 3.775 20 10 GHCDRN CCn1c(C)nn(CN(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1=S ZINC000103461521 872015485 /nfs/dbraw/zinc/01/54/85/872015485.db2.gz MSDAJXRDYPRSPJ-UHFFFAOYSA-N 0 0 387.475 3.830 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCc3nc(C(C)C)ncc3C2)cc1F ZINC000857846378 882584603 /nfs/dbraw/zinc/58/46/03/882584603.db2.gz KHJGDJOEYGVDCO-UHFFFAOYSA-N 0 0 399.514 3.853 20 10 GHCDRN COC(=O)C(C)(C)[C@H](NC(=O)NCc1ccc(N(C)C)cc1C)c1ccccc1 ZINC000767020091 872179175 /nfs/dbraw/zinc/17/91/75/872179175.db2.gz VONHHSOELVBJTJ-HXUWFJFHSA-N 0 0 397.519 3.801 20 10 GHCDRN C[C@@H](CN(C)C(=O)NCc1ccc(N2CCSCC2)cc1)c1nccs1 ZINC000182297196 872183743 /nfs/dbraw/zinc/18/37/43/872183743.db2.gz BVQXVVQEWXEDJY-HNNXBMFYSA-N 0 0 390.578 3.641 20 10 GHCDRN COc1cc2c(c(OC)c1)N(Cc1nc(-c3ccc(F)c(F)c3)no1)CCC2 ZINC001195180768 872208921 /nfs/dbraw/zinc/20/89/21/872208921.db2.gz UAQJHYOKXCYURL-UHFFFAOYSA-N 0 0 387.386 3.985 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@H](C)OC[C@@H]2CCCO2)c(C)n1-c1cccc(C)c1 ZINC000921094386 882590228 /nfs/dbraw/zinc/59/02/28/882590228.db2.gz BYOLRPRWTWXION-ICSRJNTNSA-N 0 0 399.487 3.713 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@@H](C)OC[C@@H]2CCCO2)c(C)n1-c1ccc(C)cc1 ZINC000921095213 882591929 /nfs/dbraw/zinc/59/19/29/882591929.db2.gz BARJSFJOXAHPIO-QUCCMNQESA-N 0 0 399.487 3.713 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@](C)(O)C2)c(C)n1-c1ccc(Br)cc1 ZINC000767132481 872286613 /nfs/dbraw/zinc/28/66/13/872286613.db2.gz UGIJWJGLKPLOJJ-IBGZPJMESA-N 0 0 391.309 3.844 20 10 GHCDRN CSc1nc(NC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)cc(=O)n1C ZINC001195277914 872302909 /nfs/dbraw/zinc/30/29/09/872302909.db2.gz DJFPQPGXWAWQEO-GHVJWSGMSA-N 0 0 395.444 3.876 20 10 GHCDRN COc1cncc(Cl)c1C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001195238479 872306256 /nfs/dbraw/zinc/30/62/56/872306256.db2.gz AXSWQRBVBDZSHX-UHFFFAOYSA-N 0 0 378.215 3.581 20 10 GHCDRN Cc1cc(F)ccc1-n1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nn1 ZINC000767296970 872384207 /nfs/dbraw/zinc/38/42/07/872384207.db2.gz QZNDZGASIZQAOI-UHFFFAOYSA-N 0 0 395.482 3.832 20 10 GHCDRN COc1ccc(N(C)Cc2nnc(C(=O)Nc3ccc(C)cc3)s2)cc1F ZINC000182552922 872518548 /nfs/dbraw/zinc/51/85/48/872518548.db2.gz RPXLZPNJEQOUAQ-UHFFFAOYSA-N 0 0 386.452 3.883 20 10 GHCDRN CC(C)c1ccc(-n2ccnc2SCC(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000182537173 872524998 /nfs/dbraw/zinc/52/49/98/872524998.db2.gz RGGAAWGAHPFAMW-UHFFFAOYSA-N 0 0 397.500 3.815 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(OCc2noc(CC)n2)cc1 ZINC000115711695 882623588 /nfs/dbraw/zinc/62/35/88/882623588.db2.gz WYVNTGABARMADV-UHFFFAOYSA-N 0 0 395.459 3.969 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(=O)n(-c2cccc(F)c2)c1 ZINC000527067703 872550741 /nfs/dbraw/zinc/55/07/41/872550741.db2.gz OXVWKRYBKLELHV-UHFFFAOYSA-N 0 0 389.430 3.707 20 10 GHCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(-c3cccs3)c2)cc1 ZINC000102080725 872559803 /nfs/dbraw/zinc/55/98/03/872559803.db2.gz XUCQAQYCXLQSCT-UHFFFAOYSA-N 0 0 379.485 3.736 20 10 GHCDRN Nc1ccc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000804356483 872614077 /nfs/dbraw/zinc/61/40/77/872614077.db2.gz KBDFKJFQRXPXMU-UHFFFAOYSA-N 0 0 396.369 3.645 20 10 GHCDRN COc1ccc(N(C)CCN(C)Cc2coc(-c3cccc(OC)c3)n2)cc1 ZINC001195787610 872662027 /nfs/dbraw/zinc/66/20/27/872662027.db2.gz AMZLCSVAQATCFI-UHFFFAOYSA-N 0 0 381.476 3.927 20 10 GHCDRN Cc1cc(CCNC(=O)[C@@H](C)OC[C@H]2CCCCO2)c(C)n1-c1ccccc1 ZINC000921166070 882648245 /nfs/dbraw/zinc/64/82/45/882648245.db2.gz FSCSOKMWOGRKQA-DENIHFKCSA-N 0 0 384.520 3.727 20 10 GHCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)c1ccc(OC(F)(F)F)nc1 ZINC001196042446 872851784 /nfs/dbraw/zinc/85/17/84/872851784.db2.gz KFZHPTOUBXSGSC-UHFFFAOYSA-N 0 0 397.740 3.817 20 10 GHCDRN COC(=O)/C=C\c1ccc(N(Cc2ccccc2)CC(C)(C)O)c([N+](=O)[O-])c1 ZINC000775703559 872976370 /nfs/dbraw/zinc/97/63/70/872976370.db2.gz SQTGEZJLSCMLDR-BENRWUELSA-N 0 0 384.432 3.559 20 10 GHCDRN COC(=O)c1ccccc1-c1ccccc1C(=O)NCc1cccc(OC)c1O ZINC000768078595 873072195 /nfs/dbraw/zinc/07/21/95/873072195.db2.gz IYVFWTVRBJXHIZ-UHFFFAOYSA-N 0 0 391.423 3.784 20 10 GHCDRN Cc1c2ccccc2n(C)c1CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O ZINC000552740510 873100891 /nfs/dbraw/zinc/10/08/91/873100891.db2.gz JSBLIULPBIDKQJ-IBGZPJMESA-N 0 0 386.455 3.631 20 10 GHCDRN O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000775716115 873103008 /nfs/dbraw/zinc/10/30/08/873103008.db2.gz PXSTYLKSOXPRTK-SFHVURJKSA-N 0 0 386.879 3.974 20 10 GHCDRN CCOc1ccc(CN(C)CC(=O)Nc2ccccc2Br)c(O)c1 ZINC000768175523 873131907 /nfs/dbraw/zinc/13/19/07/873131907.db2.gz SONAEBWHGNHPLV-UHFFFAOYSA-N 0 0 393.281 3.624 20 10 GHCDRN COc1cccc(O)c1CN1CCN([C@H](C)c2nc3ccccc3s2)CC1 ZINC000768200615 873137778 /nfs/dbraw/zinc/13/77/78/873137778.db2.gz ORHHJWUYRPDAGA-OAHLLOKOSA-N 0 0 383.517 3.889 20 10 GHCDRN O=[N+]([O-])c1cc(CN2CCN(c3cccc(O)c3)CC2)ccc1N1CCCCC1 ZINC000768211825 873147637 /nfs/dbraw/zinc/14/76/37/873147637.db2.gz DVIJPZGEPHQHHC-UHFFFAOYSA-N 0 0 396.491 3.613 20 10 GHCDRN Cc1cc(C(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)c(C)n1-c1cccc(Cl)c1 ZINC000794318511 882692340 /nfs/dbraw/zinc/69/23/40/882692340.db2.gz PUBTWRQWJSZKBA-YCRPNKLZSA-N 0 0 388.895 3.768 20 10 GHCDRN COc1ccc(CNC(=O)CSc2nccn2-c2cc(C)cc(C)c2)c(O)c1 ZINC000794370192 882692369 /nfs/dbraw/zinc/69/23/69/882692369.db2.gz NDKOBGPLKBLTMT-UHFFFAOYSA-N 0 0 397.500 3.612 20 10 GHCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNc3cc(Cl)ccc3[N+](=O)[O-])cc2)C1 ZINC000804365935 873181395 /nfs/dbraw/zinc/18/13/95/873181395.db2.gz IQERFWZMFUWIEE-CQSZACIVSA-N 0 0 388.855 3.562 20 10 GHCDRN NC(=O)c1ccc(N2C(=O)/C(=C/c3cc4ccccc4o3)SC2=S)cc1 ZINC000102486206 873187247 /nfs/dbraw/zinc/18/72/47/873187247.db2.gz BFIRAMOZMCRIJW-YBEGLDIGSA-N 0 0 380.450 3.938 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccccc1CN1CCSCC1 ZINC000115764769 882704086 /nfs/dbraw/zinc/70/40/86/882704086.db2.gz OQDFVWYIGWYCED-UHFFFAOYSA-N 0 0 398.576 3.932 20 10 GHCDRN COc1cccc(CN2CCN(C(=O)c3cccc4ccccc43)CC2)c1O ZINC000768443841 873307403 /nfs/dbraw/zinc/30/74/03/873307403.db2.gz UZRBNFDOFHIYIX-UHFFFAOYSA-N 0 0 376.456 3.512 20 10 GHCDRN O=C(c1ccc(F)cc1F)N1CCN(Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768450963 873311095 /nfs/dbraw/zinc/31/10/95/873311095.db2.gz KMTZZJPXWDMMKN-UHFFFAOYSA-N 0 0 386.442 3.507 20 10 GHCDRN CN(C)c1ccc(-c2nc3ccccc3c(NCc3ccc(O)c(O)c3)n2)cc1 ZINC001169992698 873321483 /nfs/dbraw/zinc/32/14/83/873321483.db2.gz LASOWDCPWSLZTI-UHFFFAOYSA-N 0 0 386.455 3.808 20 10 GHCDRN Cc1ccc(CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC(F)(F)F)cc1 ZINC000768466445 873332767 /nfs/dbraw/zinc/33/27/67/873332767.db2.gz QJCDCHGUQSQZHP-GOSISDBHSA-N 0 0 381.394 3.733 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N(CCCOc1ccccc1)C1CCOCC1 ZINC000768526037 873358845 /nfs/dbraw/zinc/35/88/45/873358845.db2.gz IUHGOYXBQLLTLE-NTMALXAHSA-N 0 0 397.471 3.588 20 10 GHCDRN COc1cc(N2CCN(Cc3ccc(Cl)cc3C)CC2)cc(OC)c1OC ZINC000768529595 873363053 /nfs/dbraw/zinc/36/30/53/873363053.db2.gz QREFNRZQKZOJLV-UHFFFAOYSA-N 0 0 390.911 3.996 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)c1 ZINC000768532011 873363855 /nfs/dbraw/zinc/36/38/55/873363855.db2.gz JYOMICWTDVSGOI-OAHLLOKOSA-N 0 0 396.247 3.988 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCc2c1cccc2Cl ZINC000775750477 873490809 /nfs/dbraw/zinc/49/08/09/873490809.db2.gz SMCUVVXGALHARI-OAQYLSRUSA-N 0 0 398.934 3.895 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)Oc3ccc4c(c3)CN(C)C4=O)ccc21 ZINC000768858361 873598052 /nfs/dbraw/zinc/59/80/52/873598052.db2.gz ZFQPQZDDFPLEDE-UHFFFAOYSA-N 0 0 392.455 3.709 20 10 GHCDRN COc1ccc(CNC(=O)c2ccc(C)c(NC(=O)NC(C)(C)C)c2)c(O)c1 ZINC000794379895 882739655 /nfs/dbraw/zinc/73/96/55/882739655.db2.gz ULRUCYOCXONIGC-UHFFFAOYSA-N 0 0 385.464 3.559 20 10 GHCDRN CN(C)C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(Cl)c(Cl)c1 ZINC000527813313 873599792 /nfs/dbraw/zinc/59/97/92/873599792.db2.gz ZOXSPFPCHGPEJU-HNNXBMFYSA-N 0 0 383.275 3.820 20 10 GHCDRN COC(=O)CNC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC001197191127 873616746 /nfs/dbraw/zinc/61/67/46/873616746.db2.gz YJWJQIPFKLADOK-UHFFFAOYSA-N 0 0 397.283 3.684 20 10 GHCDRN COC(CCCNS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1)OC ZINC001197187687 873621783 /nfs/dbraw/zinc/62/17/83/873621783.db2.gz LBYNSUCFLLBPQW-QZQOTICOSA-N 0 0 377.466 3.779 20 10 GHCDRN COc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)c(O)c1 ZINC000794382146 882742339 /nfs/dbraw/zinc/74/23/39/882742339.db2.gz YIMFVMCRQPFVOA-JKSUJKDBSA-N 0 0 376.250 3.583 20 10 GHCDRN O=S(=O)(c1ccc(/N=N/c2ccccc2)cc1)N1CCC[C@](O)(CF)CC1 ZINC001197162956 873632545 /nfs/dbraw/zinc/63/25/45/873632545.db2.gz ZDOYGYKPXXKKIF-XKXPVHLMSA-N 0 0 391.468 3.977 20 10 GHCDRN COc1ccc(CNC(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)c(O)c1 ZINC000794383499 882743761 /nfs/dbraw/zinc/74/37/61/882743761.db2.gz PZINVKARQZTJAI-UHFFFAOYSA-N 0 0 380.322 3.711 20 10 GHCDRN CCOC(=O)[C@H](C)CNS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197196901 873645539 /nfs/dbraw/zinc/64/55/39/873645539.db2.gz LBKJKVVEESONAS-YYZBOFOMSA-N 0 0 375.450 3.580 20 10 GHCDRN O=S(=O)(NCCO[C@H]1CCCCO1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197196767 873645555 /nfs/dbraw/zinc/64/55/55/873645555.db2.gz FRXSMIIITOBJJZ-XJUMHSELSA-N 0 0 389.477 3.924 20 10 GHCDRN CCOc1nccc(CNS(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)n1 ZINC001197196886 873645571 /nfs/dbraw/zinc/64/55/71/873645571.db2.gz KMNQWSAQWGXZHN-WCWDXBQESA-N 0 0 397.460 3.769 20 10 GHCDRN O=C(CNS(=O)(=O)c1ccc(N=Nc2ccccc2)cc1)c1ccc(O)cc1 ZINC001197197130 873645618 /nfs/dbraw/zinc/64/56/18/873645618.db2.gz XBBQOYLLPCCYJM-GHVJWSGMSA-N 0 0 395.440 3.969 20 10 GHCDRN O=S(=O)(N[C@@H](CO)c1ccc(O)cc1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197196756 873645629 /nfs/dbraw/zinc/64/56/29/873645629.db2.gz DWRMVQSOOBQIFJ-VSRNGQBXSA-N 0 0 397.456 3.820 20 10 GHCDRN CCOC(=O)c1cccc(CNC(=S)Nc2ccccc2C(F)(F)F)n1 ZINC001197281270 873709562 /nfs/dbraw/zinc/70/95/62/873709562.db2.gz AKGSVHKLPRFRRR-UHFFFAOYSA-N 0 0 383.395 3.764 20 10 GHCDRN Fc1cc(F)c(F)c(NC(=S)NCCN2CCCc3ccccc32)c1F ZINC001197412677 873797109 /nfs/dbraw/zinc/79/71/09/873797109.db2.gz ANCFBJHUIYHNAB-UHFFFAOYSA-N 0 0 383.414 3.982 20 10 GHCDRN O=C(N[C@H](C(=O)NCc1ccccc1O)c1ccccc1)OCc1ccccc1 ZINC000769363061 874001225 /nfs/dbraw/zinc/00/12/25/874001225.db2.gz MVRHTLLCLLHOLJ-NRFANRHFSA-N 0 0 390.439 3.676 20 10 GHCDRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000769451484 874079710 /nfs/dbraw/zinc/07/97/10/874079710.db2.gz MORMUEPYPAVJBD-FQEVSTJZSA-N 0 0 385.483 3.812 20 10 GHCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c1[O-] ZINC000769500294 874106081 /nfs/dbraw/zinc/10/60/81/874106081.db2.gz UQKOBPGVNRGAEA-OAHLLOKOSA-N 0 0 376.840 3.993 20 10 GHCDRN COc1cccc(CNC(=O)c2oc(COc3ccc(C=O)cc3)cc2C)c1O ZINC000769508263 874113968 /nfs/dbraw/zinc/11/39/68/874113968.db2.gz UIVAJPMCTFEJDG-UHFFFAOYSA-N 0 0 395.411 3.624 20 10 GHCDRN COc1ccc(-n2c(C)cc(CN(C)Cc3cnc(N(C)C)nc3)c2C)cc1 ZINC000769528292 874135179 /nfs/dbraw/zinc/13/51/79/874135179.db2.gz UHFRVBXRILOLSP-UHFFFAOYSA-N 0 0 379.508 3.591 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000769562670 874161728 /nfs/dbraw/zinc/16/17/28/874161728.db2.gz KWEGQUYBMTZHBQ-FUHWJXTLSA-N 0 0 388.508 3.581 20 10 GHCDRN Cc1c(C(=O)NCc2c(O)ccc3c2CCCC3)cnn1-c1ccc(F)cc1F ZINC000769563831 874162009 /nfs/dbraw/zinc/16/20/09/874162009.db2.gz MNRLTUQKEPRNKX-UHFFFAOYSA-N 0 0 397.425 3.973 20 10 GHCDRN Cc1ccc(OCCC(=O)NCc2ccc(N(C)C)cc2)c(Br)c1 ZINC000921276663 882799754 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COc1cccc(/C=C2/SC(=S)N(c3ccc(OC)c(F)c3)C2=O)n1 ZINC000790108395 879444419 /nfs/dbraw/zinc/44/44/19/879444419.db2.gz OUILSEIQQSDDBZ-RIYZIHGNSA-N 0 0 376.434 3.644 20 10 GHCDRN CN(C)c1ccc(CN(C2CC2)S(=O)(=O)Cc2cc(C(C)(C)C)on2)cc1 ZINC000790161043 879500012 /nfs/dbraw/zinc/50/00/12/879500012.db2.gz CKTWAVPRFBBDFE-UHFFFAOYSA-N 0 0 391.537 3.533 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3ccc(C)c(NC(C)=O)c3C)C2)cc1 ZINC000854300868 879704496 /nfs/dbraw/zinc/70/44/96/879704496.db2.gz CGOFCCFPYNLPPZ-KRWDZBQOSA-N 0 0 396.491 3.671 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N(Cc3cccc(F)c3)C3CC3)C2)cc1 ZINC000854301247 879704838 /nfs/dbraw/zinc/70/48/38/879704838.db2.gz MAVHYNZMKBOWEY-SFHVURJKSA-N 0 0 383.467 3.787 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)NC(C)(C)c3nc(C)c(C)s3)C2)cc1 ZINC000854300744 879705224 /nfs/dbraw/zinc/70/52/24/879705224.db2.gz ZKHMQOIQVYFNAM-HNNXBMFYSA-N 0 0 388.537 3.582 20 10 GHCDRN Cc1cc(C)c(O)c(CN2CCNC(=O)[C@@H]2c2ccc(OC(F)(F)F)cc2)c1 ZINC000790460894 879717770 /nfs/dbraw/zinc/71/77/70/879717770.db2.gz LKMDQVDUYDSTDI-KRWDZBQOSA-N 0 0 394.393 3.581 20 10 GHCDRN COCCCOCCC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000854344407 879742128 /nfs/dbraw/zinc/74/21/28/879742128.db2.gz ORWSJWVDXJPTIF-INIZCTEOSA-N 0 0 382.932 3.636 20 10 GHCDRN COc1cc(CN(C)C(=O)c2cccc(O)c2O)ccc1OCc1ccccc1 ZINC000790475475 879748084 /nfs/dbraw/zinc/74/80/84/879748084.db2.gz SXELXJBAZYFOTF-UHFFFAOYSA-N 0 0 393.439 3.958 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2nc(-c3ccsc3)ns2)c1 ZINC000790522417 879791436 /nfs/dbraw/zinc/79/14/36/879791436.db2.gz FGIVZLTUNCHIGP-VIFPVBQESA-N 0 0 376.463 3.864 20 10 GHCDRN COc1ccc(N2CCN(Cc3nc4c(s3)C[C@@H](C)CC4)CC2)c(OC)c1 ZINC001183419041 912503480 /nfs/dbraw/zinc/50/34/80/912503480.db2.gz GXQIMMXBVUAHLF-HNNXBMFYSA-N 0 0 387.549 3.607 20 10 GHCDRN C[C@]12CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)C[C@H]1C2(Cl)Cl ZINC000790730943 879966984 /nfs/dbraw/zinc/96/69/84/879966984.db2.gz GEOORFIWHXUKJH-AEFFLSMTSA-N 0 0 380.319 3.788 20 10 GHCDRN COc1cc(OC2CC2)ccc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000790807986 879983724 /nfs/dbraw/zinc/98/37/24/879983724.db2.gz LNTDUBRTEOCNIZ-IBGZPJMESA-N 0 0 397.471 3.763 20 10 GHCDRN Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2c([O-])ccc(Cl)c2F)cc1 ZINC000790947649 880093034 /nfs/dbraw/zinc/09/30/34/880093034.db2.gz VLVXEJNHZDICJN-GOSISDBHSA-N 0 0 378.875 3.656 20 10 GHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000791005333 880129791 /nfs/dbraw/zinc/12/97/91/880129791.db2.gz SYERXBYFQJKXDF-NSHDSACASA-N 0 0 376.230 3.918 20 10 GHCDRN CC(C)n1ncc2cc(C=CC(=O)N3CC4(CCC4)c4ccccc43)c(=O)[nH]c21 ZINC000791021413 880150066 /nfs/dbraw/zinc/15/00/66/880150066.db2.gz PXHBXYIYRVMOJX-CMDGGOBGSA-N 0 0 388.471 3.787 20 10 GHCDRN Cc1cc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c(C)n1-c1cccc(C)c1 ZINC000791072791 880188585 /nfs/dbraw/zinc/18/85/85/880188585.db2.gz JMPGYASZYKRLST-LTMIRXACSA-N 0 0 382.504 3.811 20 10 GHCDRN CN(Cc1ccn(-c2ccccc2)n1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000746981185 880222060 /nfs/dbraw/zinc/22/20/60/880222060.db2.gz PFNCXXCSSAVPKO-UHFFFAOYSA-N 0 0 389.503 3.596 20 10 GHCDRN COc1cccc(C[C@H]2CCCN2C(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000746982677 880223813 /nfs/dbraw/zinc/22/38/13/880223813.db2.gz IQIMSTCORSKCHI-OAQYLSRUSA-N 0 0 393.531 3.994 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N(C)CCOc2ccccc2Cl)cc1F ZINC000746979539 880232962 /nfs/dbraw/zinc/23/29/62/880232962.db2.gz PRDLLCNLTAYOIQ-UHFFFAOYSA-N 0 0 379.863 3.766 20 10 GHCDRN Cc1cc(C(=O)N2C[C@@H](C)S(=O)[C@H](C)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000791176635 880257034 /nfs/dbraw/zinc/25/70/34/880257034.db2.gz QBFAVJBMIPONDZ-ZIAGYGMSSA-N 0 0 378.925 3.729 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H]1CCO[C@@H](CC)C1 ZINC000791247455 880282848 /nfs/dbraw/zinc/28/28/48/880282848.db2.gz ZGJGOMWWVUMMJU-APWZRJJASA-N 0 0 390.524 3.580 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc2ccccn2c1 ZINC000791245899 880305319 /nfs/dbraw/zinc/30/53/19/880305319.db2.gz GTTMBFOJRUFBPC-UHFFFAOYSA-N 0 0 393.487 3.942 20 10 GHCDRN COc1cccc2c([C@H](C(=O)NCc3ccccc3O)C(F)(F)F)c[nH]c21 ZINC001183466178 912553504 /nfs/dbraw/zinc/55/35/04/912553504.db2.gz BZNYLBFWUAYPPK-MRXNPFEDSA-N 0 0 378.350 3.844 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Cl)c(N)c1Cl ZINC000791310011 880346334 /nfs/dbraw/zinc/34/63/34/880346334.db2.gz YCUKPLLURGBLEO-UHFFFAOYSA-N 0 0 394.302 3.684 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3cc(C)n(C4CCCCC4)n3)C2)cc1 ZINC000855228003 880371875 /nfs/dbraw/zinc/37/18/75/880371875.db2.gz SXSKFVWHMQNICM-KRWDZBQOSA-N 0 0 382.508 3.714 20 10 GHCDRN Cc1ccc(-c2noc([C@H](C)OC(=O)/C=C\c3ccc(O)c(O)c3)n2)cc1F ZINC000772773579 880372381 /nfs/dbraw/zinc/37/23/81/880372381.db2.gz DEJSDPPSUIPGFQ-JECSTDCCSA-N 0 0 384.363 3.913 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3sc(C)cc3OC(F)F)C2)cc1 ZINC000855231743 880376778 /nfs/dbraw/zinc/37/67/78/880376778.db2.gz NSIHBPXSGVMQAI-GFCCVEGCSA-N 0 0 382.432 3.675 20 10 GHCDRN CC(C)(C)OC(=O)[C@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)Cc2ccccc21 ZINC000855249137 880384035 /nfs/dbraw/zinc/38/40/35/880384035.db2.gz BQQMYLZCUPAJAB-FYGXRCCRSA-N 0 0 395.455 3.579 20 10 GHCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cn(C)nc2C)cc1 ZINC000113182970 880386963 /nfs/dbraw/zinc/38/69/63/880386963.db2.gz DIHOJFKADPKDHQ-UHFFFAOYSA-N 0 0 378.476 3.650 20 10 GHCDRN COc1ccc(CNC(=O)Nc2cc(F)c(Br)cc2C)c(O)c1 ZINC000797645471 880512355 /nfs/dbraw/zinc/51/23/55/880512355.db2.gz FEUFJEOWWLZAIL-UHFFFAOYSA-N 0 0 383.217 3.933 20 10 GHCDRN COc1cncc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)n1 ZINC000791697140 880630768 /nfs/dbraw/zinc/63/07/68/880630768.db2.gz VAZORTUMGAGGCH-UHFFFAOYSA-N 0 0 393.443 3.549 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)c(C)n1-c1cccc(C(C)C)c1 ZINC000855677859 880672424 /nfs/dbraw/zinc/67/24/24/880672424.db2.gz VSBWOEJQMXYBAL-UGKGYDQZSA-N 0 0 393.531 3.958 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCC(=O)Nc1ccccc1 ZINC000113628494 880716900 /nfs/dbraw/zinc/71/69/00/880716900.db2.gz ZKIRRMLDCXHPRT-UHFFFAOYSA-N 0 0 394.519 3.847 20 10 GHCDRN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)c2ccccc21 ZINC000855762732 880729100 /nfs/dbraw/zinc/72/91/00/880729100.db2.gz CUPLABCXVKQZAO-QXLXQBSBSA-N 0 0 395.455 3.973 20 10 GHCDRN C[C@H]1CN(Cc2ccccc2)C[C@]2(CC[N@H+](Cc3ccc(F)c(F)c3[O-])C2)O1 ZINC001183510853 912608925 /nfs/dbraw/zinc/60/89/25/912608925.db2.gz HQQSEDHKXWPVAH-KSFYIVLOSA-N 0 0 388.458 3.536 20 10 GHCDRN CC(C)Cc1ncc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cn1 ZINC000791949941 880831373 /nfs/dbraw/zinc/83/13/73/880831373.db2.gz WMMVWGGDUGAFHG-GOSISDBHSA-N 0 0 384.480 3.594 20 10 GHCDRN COc1cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc(-n2cccn2)c1 ZINC000791965255 880842727 /nfs/dbraw/zinc/84/27/27/880842727.db2.gz WYQSBKVXCXVULN-UHFFFAOYSA-N 0 0 389.459 3.579 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N3CC[C@@H](C(F)(F)F)[C@H]3C)CC2)cc1 ZINC000792065842 880876888 /nfs/dbraw/zinc/87/68/88/880876888.db2.gz CKANQUKZYRZZBB-CXAGYDPISA-N 0 0 385.430 3.646 20 10 GHCDRN CC(C)OC(=O)CC[C@H](C)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000792302247 881032763 /nfs/dbraw/zinc/03/27/63/881032763.db2.gz VRMPFQPKPWTNQV-SFHVURJKSA-N 0 0 389.540 3.939 20 10 GHCDRN CC(C)OC(=O)CC[C@@H](C)NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000792301113 881033219 /nfs/dbraw/zinc/03/32/19/881033219.db2.gz NKBKUXPWUPQTNO-MRXNPFEDSA-N 0 0 388.464 3.817 20 10 GHCDRN CCCCc1ccc(CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000856208796 881042682 /nfs/dbraw/zinc/04/26/82/881042682.db2.gz UYWPVFWPWJJZCD-UHFFFAOYSA-N 0 0 380.532 3.849 20 10 GHCDRN Cc1cccc(C2(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)CCC2)c1 ZINC000856210164 881043322 /nfs/dbraw/zinc/04/33/22/881043322.db2.gz QCXCKCKKEVJLQD-UHFFFAOYSA-N 0 0 378.516 3.694 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cc(Cl)nc(C2CC2)c1 ZINC000856209676 881043763 /nfs/dbraw/zinc/04/37/63/881043763.db2.gz XMJIRGUVXOAGRA-UHFFFAOYSA-N 0 0 385.895 3.504 20 10 GHCDRN Cc1ccc(OCCCC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1C ZINC000856211330 881045593 /nfs/dbraw/zinc/04/55/93/881045593.db2.gz MJOQSVFWGMMVHJ-UHFFFAOYSA-N 0 0 396.531 3.740 20 10 GHCDRN CC[C@@H](CC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(OC)cc1 ZINC000856211841 881046310 /nfs/dbraw/zinc/04/63/10/881046310.db2.gz CMYGFBXBOVKGKA-IBGZPJMESA-N 0 0 396.531 3.856 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cc2ccccc2c(Cl)n1 ZINC000856212494 881047354 /nfs/dbraw/zinc/04/73/54/881047354.db2.gz NXRRHGIJPACZOP-UHFFFAOYSA-N 0 0 395.890 3.779 20 10 GHCDRN Cc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c(F)c1Cl ZINC000856213474 881048491 /nfs/dbraw/zinc/04/84/91/881048491.db2.gz NMLMZZYTWUBVOT-UHFFFAOYSA-N 0 0 376.859 3.679 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(C(=O)OC)cc1N(C)C ZINC000792410669 881084516 /nfs/dbraw/zinc/08/45/16/881084516.db2.gz OIZOJFFWQNJRFI-UHFFFAOYSA-N 0 0 385.464 3.689 20 10 GHCDRN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[C@@H](C)c1ccccc1 ZINC000174888125 881097457 /nfs/dbraw/zinc/09/74/57/881097457.db2.gz BUXOKSCPPDFFGH-RTBURBONSA-N 0 0 381.520 3.857 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3c4c(ccc3OC)CCC4)CC2)cc1F ZINC000792454269 881109524 /nfs/dbraw/zinc/10/95/24/881109524.db2.gz QGCDUZPEMBXFEQ-UHFFFAOYSA-N 0 0 399.466 3.686 20 10 GHCDRN COc1cc(C(F)(F)F)ncc1NC(=O)NCc1ccc(N(C)C)cc1C ZINC000792503052 881126907 /nfs/dbraw/zinc/12/69/07/881126907.db2.gz ABNMIZGQPHMMBR-UHFFFAOYSA-N 0 0 382.386 3.805 20 10 GHCDRN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCC[C@@H]2CC(C)(C)C)c1 ZINC000747077449 881128346 /nfs/dbraw/zinc/12/83/46/881128346.db2.gz XDYKUFXWHMSFIS-OAQYLSRUSA-N 0 0 388.552 3.828 20 10 GHCDRN CC[C@H](C)n1ncc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1C ZINC000792480475 881135933 /nfs/dbraw/zinc/13/59/33/881135933.db2.gz BYBJTVFUEAEHQB-HOTGVXAUSA-N 0 0 385.512 3.882 20 10 GHCDRN COc1ccc(Cl)cc1NCCC(=O)NCCCSc1nccs1 ZINC000114139820 881151476 /nfs/dbraw/zinc/15/14/76/881151476.db2.gz FJEYBQVCPCZRRS-UHFFFAOYSA-N 0 0 385.942 3.906 20 10 GHCDRN COC(=O)NC1CCN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)CC1 ZINC000856450462 881241625 /nfs/dbraw/zinc/24/16/25/881241625.db2.gz MMMWUOCYIVFURC-UHFFFAOYSA-N 0 0 383.492 3.672 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2cccc(OCC(F)(F)F)c2)c1 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CC(C)(C)OC(=O)Nc1cccc(CNC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000875710112 892772794 /nfs/dbraw/zinc/77/27/94/892772794.db2.gz VRBMVDZLMPKKQN-UHFFFAOYSA-N 0 0 383.448 3.965 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CC(C)(CC(F)F)C3)cc2F)C[C@@H](C)O1 ZINC000825821489 892835922 /nfs/dbraw/zinc/83/59/22/892835922.db2.gz YXRGZGLIJMGOEX-ZIAGYGMSSA-N 0 0 399.457 3.626 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000875946288 892882303 /nfs/dbraw/zinc/88/23/03/892882303.db2.gz MRTINCSUSQKKLF-FHLIZLRMSA-N 0 0 387.277 3.634 20 10 GHCDRN CCc1ccc([C@@H](C)NC(=O)CN(C)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000125745404 892946604 /nfs/dbraw/zinc/94/66/04/892946604.db2.gz DIQCZTBPHCNUPR-OAHLLOKOSA-N 0 0 386.492 3.588 20 10 GHCDRN Cc1ccccc1[C@@H]1CN(C(=O)NCCCSc2nccs2)CCO1 ZINC000154602788 892980041 /nfs/dbraw/zinc/98/00/41/892980041.db2.gz RKJABHWMQLZYKK-INIZCTEOSA-N 0 0 377.535 3.717 20 10 GHCDRN COc1cc(N(C)CC(=O)Nc2cccc(Cl)c2C)cc(OC)c1OC ZINC000125780816 892982006 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[O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000816549895 894918139 /nfs/dbraw/zinc/91/81/39/894918139.db2.gz BLNZEYSXMNVUTR-HOCLYGCPSA-N 0 0 377.765 3.809 20 10 GHCDRN COc1cc(N2CCN(Cc3cc(C)cc(Cl)c3)CC2)cc(OC)c1OC ZINC000816569888 894950348 /nfs/dbraw/zinc/95/03/48/894950348.db2.gz ZZPCAAZBLQTTQI-UHFFFAOYSA-N 0 0 390.911 3.996 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)c1 ZINC000816637655 894984054 /nfs/dbraw/zinc/98/40/54/894984054.db2.gz LBJPQGLYXYNCQG-QGZVFWFLSA-N 0 0 379.298 3.708 20 10 GHCDRN CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000936037796 895008130 /nfs/dbraw/zinc/00/81/30/895008130.db2.gz PBXFIUKTDAPSHC-LSDHHAIUSA-N 0 0 392.459 3.703 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@]1([C@H]2CCCCO2)CCCO1 ZINC001135746407 895199763 /nfs/dbraw/zinc/19/97/63/895199763.db2.gz QWMDIMWVVXTCIO-GGAORHGYSA-N 0 0 386.536 3.754 20 10 GHCDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC001185555183 913950719 /nfs/dbraw/zinc/95/07/19/913950719.db2.gz JYVHUBBPQAAWHZ-CYBMUJFWSA-N 0 0 378.379 3.981 20 10 GHCDRN Cc1cc(Br)c(O)c(CNc2ccc(C(N)=O)cc2OC(C)C)c1 ZINC000817418290 895594201 /nfs/dbraw/zinc/59/42/01/895594201.db2.gz JGLCSFGSHUHDIM-UHFFFAOYSA-N 0 0 393.281 3.961 20 10 GHCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1cn(Cc2cccnc2)nn1 ZINC000817418574 895595337 /nfs/dbraw/zinc/59/53/37/895595337.db2.gz XOINFQNCNLDOQD-IBGZPJMESA-N 0 0 377.492 3.565 20 10 GHCDRN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NOCCC1CC1 ZINC000817446611 895644416 /nfs/dbraw/zinc/64/44/16/895644416.db2.gz RGIMCXFPHFKNKC-KAMYIIQDSA-N 0 0 396.559 3.577 20 10 GHCDRN C[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)N1Cc2ccccc2C1=O ZINC001135968067 895800734 /nfs/dbraw/zinc/80/07/34/895800734.db2.gz HYZNTGSGNCDPMW-GOSISDBHSA-N 0 0 391.515 3.680 20 10 GHCDRN Cc1c(C)n(C)c2ccc(OC(=O)c3ccc(CN4C(=O)CCC4=O)cc3)cc12 ZINC000817760614 895891359 /nfs/dbraw/zinc/89/13/59/895891359.db2.gz CSQHHXYRCKZIQG-UHFFFAOYSA-N 0 0 390.439 3.663 20 10 GHCDRN C[C@H]1CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C[C@@H](c2ccccc2)O1 ZINC000817926464 895964111 /nfs/dbraw/zinc/96/41/11/895964111.db2.gz JIKFLEUJQCKDCL-YWZLYKJASA-N 0 0 393.512 3.918 20 10 GHCDRN CC(C)Cn1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 ZINC000888858625 896062081 /nfs/dbraw/zinc/06/20/81/896062081.db2.gz WRVIPFDRQSDCKO-UHFFFAOYSA-N 0 0 392.450 3.539 20 10 GHCDRN Cc1cc(C)c(NC(=O)[C@@H](C)n2cc(COc3ccc(N)cc3)nn2)c(C)c1 ZINC000881021644 896072219 /nfs/dbraw/zinc/07/22/19/896072219.db2.gz JIJYAZHFUKUWFB-MRXNPFEDSA-N 0 0 379.464 3.564 20 10 GHCDRN CC(F)(F)CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000818261443 896096148 /nfs/dbraw/zinc/09/61/48/896096148.db2.gz OYMYJQUUWQTZKI-DHZHZOJOSA-N 0 0 390.502 3.501 20 10 GHCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccnc(OC2CCCC2)c1 ZINC000041398832 896262536 /nfs/dbraw/zinc/26/25/36/896262536.db2.gz BZYOZNSVCYAIGX-UHFFFAOYSA-N 0 0 390.443 3.897 20 10 GHCDRN Cc1cc(C(=O)N2CCCSC[C@@H]2c2cnn(C)c2)c(C)n1-c1ccccn1 ZINC000888881941 896281328 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Cc1ccc(C)n1-c1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC001136202491 896480730 /nfs/dbraw/zinc/48/07/30/896480730.db2.gz UAZGYUCJSYVIDH-UHFFFAOYSA-N 0 0 378.432 3.844 20 10 GHCDRN CC[C@H](Cc1ccccc1C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819333380 896577384 /nfs/dbraw/zinc/57/73/84/896577384.db2.gz NBUUMSWQBZEDOJ-LJQANCHMSA-N 0 0 398.522 3.980 20 10 GHCDRN CCNc1ncc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1 ZINC000129356363 896589150 /nfs/dbraw/zinc/58/91/50/896589150.db2.gz SBXRDVGVVJXFAV-GFCCVEGCSA-N 0 0 396.463 3.575 20 10 GHCDRN O=S(=O)(c1ccc2ccccc2c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000819427100 896727296 /nfs/dbraw/zinc/72/72/96/896727296.db2.gz HDMAWDTUUHXFGM-FQEVSTJZSA-N 0 0 397.496 3.915 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3ccc(COC(C)C)cc3)C2)cc1 ZINC000819580904 896824174 /nfs/dbraw/zinc/82/41/74/896824174.db2.gz PYZRYXKPFWUWJI-LJQANCHMSA-N 0 0 382.504 3.877 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(O)(Cc2ccncc2)CC1 ZINC000819580778 896824750 /nfs/dbraw/zinc/82/47/50/896824750.db2.gz QAUCNIUYFSOJMI-UHFFFAOYSA-N 0 0 395.528 3.760 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)Oc3cccc(Cl)c3)C2)cc1 ZINC000819580686 896824974 /nfs/dbraw/zinc/82/49/74/896824974.db2.gz NJBNAJJVDURUCN-JKSUJKDBSA-N 0 0 388.895 3.759 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)CCOc3ccccc3)C2)cc1 ZINC000819585487 896833162 /nfs/dbraw/zinc/83/31/62/896833162.db2.gz XWPKQDUPTJFKJM-RTBURBONSA-N 0 0 382.504 3.743 20 10 GHCDRN CC[C@H](Oc1ccccc1F)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819584972 896834604 /nfs/dbraw/zinc/83/46/04/896834604.db2.gz VLOOAFMVLMSIAN-UZLBHIALSA-N 0 0 386.467 3.634 20 10 GHCDRN COc1ccc(C[C@@H](C)C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000819585728 896836499 /nfs/dbraw/zinc/83/64/99/896836499.db2.gz HPQSJRSRTLIOSR-MJGOQNOKSA-N 0 0 382.504 3.525 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cccc(Cl)c1Cl ZINC000041925189 896935615 /nfs/dbraw/zinc/93/56/15/896935615.db2.gz FLEFAGUFNHAXQR-UHFFFAOYSA-N 0 0 392.286 3.849 20 10 GHCDRN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)c1nc(-c2ccccc2)no1 ZINC000130285095 897049382 /nfs/dbraw/zinc/04/93/82/897049382.db2.gz LDJABVFAUKRVET-IAGOWNOFSA-N 0 0 378.476 3.985 20 10 GHCDRN COC(=O)c1sc(NC[C@H]2CCN(c3ccc(OC)cc3)C2)nc1Cl ZINC000819935155 897069898 /nfs/dbraw/zinc/06/98/98/897069898.db2.gz KZJROIVYDPALFW-LLVKDONJSA-N 0 0 381.885 3.530 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1cc(C(F)(F)F)ccn1 ZINC001136282207 897071152 /nfs/dbraw/zinc/07/11/52/897071152.db2.gz CAUOACFBCMAHKY-UHFFFAOYSA-N 0 0 381.423 3.584 20 10 GHCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])c1nnc2n1CCCCC2 ZINC000882886108 897077731 /nfs/dbraw/zinc/07/77/31/897077731.db2.gz DQZFEYOHOIMVBA-SNVBAGLBSA-N 0 0 399.720 3.977 20 10 GHCDRN Cc1cc(=O)[nH]c2cc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)ccc12 ZINC000289336400 914147482 /nfs/dbraw/zinc/14/74/82/914147482.db2.gz HIDCLNDLNCMULY-SFHVURJKSA-N 0 0 392.455 3.776 20 10 GHCDRN Cc1cc(NCc2cc(Br)cc(F)c2O)nn1CC(F)(F)F ZINC000883146899 897320307 /nfs/dbraw/zinc/32/03/07/897320307.db2.gz CTDRXOZPSNSBDA-UHFFFAOYSA-N 0 0 382.155 3.973 20 10 GHCDRN O=C(Nc1cccc(/C=C2/SC(N3CCCCC3)=NC2=O)c1)C(F)(F)F ZINC000214380755 897326848 /nfs/dbraw/zinc/32/68/48/897326848.db2.gz BZAPMMQPDGLGSS-JLHYYAGUSA-N 0 0 383.395 3.644 20 10 GHCDRN COC(=O)[C@H](NCc1cc(Cl)cc(C(C)=O)c1O)c1cc(C)cc(C)c1 ZINC001170949568 897375216 /nfs/dbraw/zinc/37/52/16/897375216.db2.gz RRNAXHJPBLBKRB-GOSISDBHSA-N 0 0 375.852 3.869 20 10 GHCDRN COc1cccc(CNC(=O)C(C)(C)c2cccc(Br)c2)c1O ZINC000131290974 897399124 /nfs/dbraw/zinc/39/91/24/897399124.db2.gz GLNMLEQHHBCKRR-UHFFFAOYSA-N 0 0 378.266 3.757 20 10 GHCDRN NC(=O)N=Nc1ccc(C(=O)N2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC000820669084 897454823 /nfs/dbraw/zinc/45/48/23/897454823.db2.gz IFTWAQZYUJUCCM-IBGZPJMESA-N 0 0 380.448 3.713 20 10 GHCDRN CN1CCCc2cc(CNC(=O)c3cccc(OC[C@@H]4CCCO4)c3)ccc21 ZINC000302988049 914161951 /nfs/dbraw/zinc/16/19/51/914161951.db2.gz LYFKQQCUVNEOPC-NRFANRHFSA-N 0 0 380.488 3.557 20 10 GHCDRN C[C@@H](Nc1cccc([C@@]2(C)COC(=O)N2)c1)c1ccc(N2CCOCC2)c(F)c1 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3.865 20 10 GHCDRN COc1ccc(N(C)CC(=O)Nc2ccc(N3CCCCC3)cc2)c(OC)c1 ZINC000132170960 897705530 /nfs/dbraw/zinc/70/55/30/897705530.db2.gz IKRKTMNFCWXUBS-UHFFFAOYSA-N 0 0 383.492 3.769 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)Nc1ccccc1OCC1CC1 ZINC000821272921 897783227 /nfs/dbraw/zinc/78/32/27/897783227.db2.gz NMAZFRZWNQPMEE-UHFFFAOYSA-N 0 0 395.503 3.758 20 10 GHCDRN Cc1c(C(=O)NCc2ccc3c(c2)CCCN3C)cnn1-c1ccc(F)cc1 ZINC000303006745 914197021 /nfs/dbraw/zinc/19/70/21/914197021.db2.gz POUJOOPPGWTNOK-UHFFFAOYSA-N 0 0 378.451 3.632 20 10 GHCDRN Cc1cc(F)ccc1CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000132649844 897860886 /nfs/dbraw/zinc/86/08/86/897860886.db2.gz OSQPYKYFVBOOKH-FQEVSTJZSA-N 0 0 386.467 3.773 20 10 GHCDRN CN(C)c1ccc(CNC(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC000132762022 897901505 /nfs/dbraw/zinc/90/15/05/897901505.db2.gz JJRUSVOZVKRWBJ-UHFFFAOYSA-N 0 0 383.492 3.811 20 10 GHCDRN CCS[C@@H]1CC[C@@H](N(C)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000132819147 897923600 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20 10 GHCDRN Cc1cc(C(=O)N2CCc3n[nH]c(=O)cc3C2)c(C)n1-c1cccc(C(C)C)c1 ZINC000775314759 916923352 /nfs/dbraw/zinc/92/33/52/916923352.db2.gz RNAHBRNRZZMNLM-UHFFFAOYSA-N 0 0 390.487 3.912 20 10 GHCDRN CC(=O)Nc1nc(C)c(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)s1 ZINC001189890337 916993067 /nfs/dbraw/zinc/99/30/67/916993067.db2.gz COHZAAVDVHCNEY-UHFFFAOYSA-N 0 0 380.473 3.839 20 10 GHCDRN Cc1c(CO)cc([N+](=O)[O-])c(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000796438997 917293937 /nfs/dbraw/zinc/29/39/37/917293937.db2.gz HRIDQFQHVYXWBX-UHFFFAOYSA-N 0 0 385.420 3.763 20 10 GHCDRN CC[C@@](NCc1cc(F)cc(C(C)=O)c1O)(C(=O)OC)c1ccc(Cl)cc1 ZINC000796443379 917332333 /nfs/dbraw/zinc/33/23/33/917332333.db2.gz SESJJTDCFVGTCA-FQEVSTJZSA-N 0 0 393.842 3.955 20 10 GHCDRN CCOC(=O)c1c(C)[nH]c(C(=O)CN(Cc2ccc(N(C)C)cc2)C2CC2)c1C ZINC001190447560 917349459 /nfs/dbraw/zinc/34/94/59/917349459.db2.gz VJWWHIVKFVAMDT-UHFFFAOYSA-N 0 0 397.519 3.722 20 10 GHCDRN Cc1cc(C(=O)NC[C@H](CO)[C@@H]2CCOC2)c(C)n1-c1cccc(C(C)C)c1 ZINC000796446806 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C[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)[C@@H]1CCOC1 ZINC000799934060 933176191 /nfs/dbraw/zinc/17/61/91/933176191.db2.gz LBVYAYTXRTYQRA-HLLBOEOZSA-N 0 0 379.932 3.801 20 10 GHCDRN COC[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)C1CC1 ZINC000799959761 933189798 /nfs/dbraw/zinc/18/97/98/933189798.db2.gz KNAOIFBVKRAPNE-KSSFIOAISA-N 0 0 379.932 3.801 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)NCC[C@@H]3CCOC3)cc2Cl)C1 ZINC000799970282 933195203 /nfs/dbraw/zinc/19/52/03/933195203.db2.gz KBWNWHBUHILDCU-JKSUJKDBSA-N 0 0 379.932 3.802 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1C[C@]12c1ccccc1NC2=O ZINC000929541415 933495468 /nfs/dbraw/zinc/49/54/68/933495468.db2.gz UFXXOYOZUXMLQW-RDPSFJRHSA-N 0 0 389.499 3.545 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)c3cnn(-c4ccccc4)c3C)CC2)cc1 ZINC001116348112 933500213 /nfs/dbraw/zinc/50/02/13/933500213.db2.gz NPGGEGGKCVMYTI-UHFFFAOYSA-N 0 0 390.487 3.542 20 10 GHCDRN CN1CCN(c2ccc(CN3CCCC[C@H]3c3noc(C4CC4)n3)cc2F)CC1 ZINC001116440191 933559782 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GHCDRN CC[C@@]([NH2+]Cc1cc(OC)c(OC)cc1O)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595299545 980428760 /nfs/dbraw/zinc/42/87/60/980428760.db2.gz XOTAKBLAABQDNH-IBGZPJMESA-N 0 0 379.840 3.543 20 10 GHCDRN Cc1nc(C(C)C)oc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000814679942 1014945418 /nfs/dbraw/zinc/94/54/18/1014945418.db2.gz STNSQYQNFZWCDY-LJQANCHMSA-N 0 0 385.508 3.994 20 10 GHCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2CCc3cccc(O)c32)cc1 ZINC000814679855 1014945533 /nfs/dbraw/zinc/94/55/33/1014945533.db2.gz PPYHTNUVEXLFAG-LEWJYISDSA-N 0 0 394.515 3.696 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N[C@@]12C[C@@H]1CCCC2 ZINC001220783067 1032119681 /nfs/dbraw/zinc/11/96/81/1032119681.db2.gz UPVFKGQFPDHYEG-KXBFYZLASA-N 0 0 397.441 3.674 20 10 GHCDRN CN(C)c1ccc(C[NH2+][C@H](CC(=O)[O-])Cc2ccccc2)c(C(F)(F)F)c1 ZINC001598320886 991322054 /nfs/dbraw/zinc/32/20/54/991322054.db2.gz YWZWCAQALAUCPM-INIZCTEOSA-N 0 0 380.410 3.947 20 10 GHCDRN C[C@H]([NH2+][C@H](C(=O)[O-])c1ccccc1Br)c1ccc(N(C)C)cc1 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COc1ncc(Nc2ccc(OCCCOc3ccc(N)cc3)cc2)cc1N ZINC001203509377 1027390145 /nfs/dbraw/zinc/39/01/45/1027390145.db2.gz HEUKHQDBDWNUIW-UHFFFAOYSA-N 0 0 380.448 3.846 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C ZINC000840287793 1027414976 /nfs/dbraw/zinc/41/49/76/1027414976.db2.gz ZWRUYRSDDPBMRN-HNAYVOBHSA-N 0 0 399.539 3.949 20 10 GHCDRN Cc1cc(N(C)c2ccc(N)cc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001203554587 1027432436 /nfs/dbraw/zinc/43/24/36/1027432436.db2.gz RDOXSIVYHUINRE-UHFFFAOYSA-N 0 0 397.523 3.797 20 10 GHCDRN C[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2[O-])C[C@]1(C)O ZINC001203565296 1027436184 /nfs/dbraw/zinc/43/61/84/1027436184.db2.gz ZBUTYBLBIYHYQN-OTYXRUKQSA-N 0 0 393.119 3.510 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000840313536 1027440786 /nfs/dbraw/zinc/44/07/86/1027440786.db2.gz VFVFODIJBOJDHB-HUUCEWRRSA-N 0 0 387.528 3.733 20 10 GHCDRN C[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)c1csnn1 ZINC000840367839 1027491090 /nfs/dbraw/zinc/49/10/90/1027491090.db2.gz QHHQPKCPHWBVLN-QWHCGFSZSA-N 0 0 393.944 3.988 20 10 GHCDRN O=C1COc2cc([N+](=O)[O-])c(N3C[C@H](c4ccccc4)C4(CCC4)C3)cc2N1 ZINC000840370487 1027494848 /nfs/dbraw/zinc/49/48/48/1027494848.db2.gz XGUAXBSJLKBIIW-OAHLLOKOSA-N 0 0 379.416 3.700 20 10 GHCDRN C[C@H]1c2ncc(COc3cccnc3)n2CCN1Cc1cc(Cl)ccc1O ZINC001203658733 1027513145 /nfs/dbraw/zinc/51/31/45/1027513145.db2.gz NAYUFMGURBAAKG-AWEZNQCLSA-N 0 0 384.867 3.793 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)[C@@](C)(OC)C1CC1 ZINC000840417740 1027522130 /nfs/dbraw/zinc/52/21/30/1027522130.db2.gz QXULQNDKLMPUBD-KZULUSFZSA-N 0 0 399.329 3.890 20 10 GHCDRN CC[C@H](CNC(=O)NCc1cc(Br)ccc1O)CC(F)(F)F ZINC000840429089 1027529898 /nfs/dbraw/zinc/52/98/98/1027529898.db2.gz FYDJIBJXJSWXAE-VIFPVBQESA-N 0 0 383.208 3.933 20 10 GHCDRN Cc1nn(C)cc1[C@@H]1CCCN1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840478115 1027561720 /nfs/dbraw/zinc/56/17/20/1027561720.db2.gz DEJNGQDUWHZZHA-IERDGZPVSA-N 0 0 383.540 3.581 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC(O)(c2ccccc2)CC1 ZINC000840481273 1027564438 /nfs/dbraw/zinc/56/44/38/1027564438.db2.gz HUATXUFSBFDUBG-LJQANCHMSA-N 0 0 395.547 3.685 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC(c2ccncc2)CC1 ZINC000840481895 1027565101 /nfs/dbraw/zinc/56/51/01/1027565101.db2.gz POBPWYFPOPRCHW-SFHVURJKSA-N 0 0 380.536 3.976 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)[C@@H](C)Cc1ccc(O)cc1 ZINC000840482499 1027567910 /nfs/dbraw/zinc/56/79/10/1027567910.db2.gz XNWZUGWWOBMATP-ROUUACIJSA-N 0 0 383.536 3.970 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000840490305 1027575152 /nfs/dbraw/zinc/57/51/52/1027575152.db2.gz ZIXBNGCTPOTAAM-CABCVRRESA-N 0 0 396.491 3.533 20 10 GHCDRN CC(C)(C)OC(=O)N1CC[C@H](N(Cc2ccncc2)Cc2ccc(O)c(O)c2)C1 ZINC001203881285 1027677785 /nfs/dbraw/zinc/67/77/85/1027677785.db2.gz OMGQOQRTJIOTKB-SFHVURJKSA-N 0 0 399.491 3.504 20 10 GHCDRN COc1cc(OC)cc(OCC[NH2+]Cc2cc(C)cc(Br)c2[O-])c1 ZINC001461282190 1069479797 /nfs/dbraw/zinc/47/97/97/1069479797.db2.gz KGCBNOHBHROBTI-UHFFFAOYSA-N 0 0 396.281 3.649 20 10 GHCDRN COc1ccc(N(c2ccc(N)cc2)S(=O)(=O)c2ccc(C)cc2)c(C)n1 ZINC001211044694 1027766996 /nfs/dbraw/zinc/76/69/96/1027766996.db2.gz YAYSUVAQCKAHQS-UHFFFAOYSA-N 0 0 383.473 3.816 20 10 GHCDRN O=S(=O)(c1cccc2nsnc21)N1CCCCc2c(Cl)cccc21 ZINC001211461885 1027971127 /nfs/dbraw/zinc/97/11/27/1027971127.db2.gz QTXGGWMWXYZDSJ-UHFFFAOYSA-N 0 0 379.894 3.876 20 10 GHCDRN COc1c(O)c(CNc2ccc(C(=O)NC3CCCC3)cc2C)ccc1[N+](=O)[O-] ZINC000840952064 1027982973 /nfs/dbraw/zinc/98/29/73/1027982973.db2.gz IMKGZSOPPIYKBW-UHFFFAOYSA-N 0 0 399.447 3.902 20 10 GHCDRN CCOc1ccc(C[NH2+]Cc2cc(Cl)cc(S(=O)(=O)CC)c2)c(O)c1 ZINC000840956498 1027985490 /nfs/dbraw/zinc/98/54/90/1027985490.db2.gz UKQNVLVACCLCCX-UHFFFAOYSA-N 0 0 383.897 3.528 20 10 GHCDRN C[C@@H](CCNC(=O)C(=O)Nc1ccc(N)cc1)c1cccc(C(F)(F)F)c1 ZINC000841055628 1028074027 /nfs/dbraw/zinc/07/40/27/1028074027.db2.gz JUMUHQCOKOKQOT-LBPRGKRZSA-N 0 0 379.382 3.536 20 10 GHCDRN Cc1cc(Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc2c1OCC(=O)N2 ZINC001213286802 1028088617 /nfs/dbraw/zinc/08/86/17/1028088617.db2.gz HXEOLRFITPJKNA-UHFFFAOYSA-N 0 0 384.391 3.845 20 10 GHCDRN NC[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1[O-])C1CCCC1 ZINC000841086300 1028111258 /nfs/dbraw/zinc/11/12/58/1028111258.db2.gz HYHVIOIUKHKJSV-CYBMUJFWSA-N 0 0 392.135 3.524 20 10 GHCDRN Nc1ccc(NC(=O)C(=O)N2CCC[C@H](Cc3csc4ccccc34)C2)cc1 ZINC000841090032 1028113067 /nfs/dbraw/zinc/11/30/67/1028113067.db2.gz TWTVFDVDUOXPIV-OAHLLOKOSA-N 0 0 393.512 3.903 20 10 GHCDRN Cc1cc(CNS(=O)(=O)c2cccnc2Cl)c(C)n1-c1cccc(C)c1 ZINC001213351168 1028129038 /nfs/dbraw/zinc/12/90/38/1028129038.db2.gz CWIFNOTTXNFSRW-UHFFFAOYSA-N 0 0 389.908 3.929 20 10 GHCDRN C[C@H](NC(=O)CC1(CNC(=O)OC(C)(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000841186682 1028258259 /nfs/dbraw/zinc/25/82/59/1028258259.db2.gz KCBSPAAVCDRTRP-HNNXBMFYSA-N 0 0 375.513 3.625 20 10 GHCDRN Cc1ccc(Nc2c(CC(N)=O)cccc2C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC001213670148 1028317710 /nfs/dbraw/zinc/31/77/10/1028317710.db2.gz KSBQUEFDAPCFDK-UHFFFAOYSA-N 0 0 389.411 3.906 20 10 GHCDRN O=C(c1cccc(OC(F)F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000301993156 1028450002 /nfs/dbraw/zinc/45/00/02/1028450002.db2.gz BNCGEYWCNLCTNI-KRWDZBQOSA-N 0 0 377.387 3.815 20 10 GHCDRN COc1ccc(C[NH2+]Cc2ccc(OC(C)(C)C)nc2)cc1Cn1cccn1 ZINC001461389762 1069529506 /nfs/dbraw/zinc/52/95/06/1069529506.db2.gz IWOBKOKCHWFZAO-UHFFFAOYSA-N 0 0 380.492 3.802 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2N(C(=O)/C=C/c2cccnc2)C1 ZINC000841354662 1028482118 /nfs/dbraw/zinc/48/21/18/1028482118.db2.gz KKLBSMAKHDOMLG-ZGKFYVQTSA-N 0 0 379.460 3.577 20 10 GHCDRN CC(C)=CCOc1cccc(CC(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000841384145 1028542891 /nfs/dbraw/zinc/54/28/91/1028542891.db2.gz SVULXRVVWZXZRG-UHFFFAOYSA-N 0 0 394.515 3.727 20 10 GHCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2nc3c(s2)CCC3)cc1 ZINC000841387651 1028553537 /nfs/dbraw/zinc/55/35/37/1028553537.db2.gz QVYZDQQJYASOKI-KRWDZBQOSA-N 0 0 385.533 3.519 20 10 GHCDRN CC(C)C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1nc(-c2nc[nH]n2)no1 ZINC001461398512 1069533600 /nfs/dbraw/zinc/53/36/00/1069533600.db2.gz CAEUODFACAYPIH-LBPRGKRZSA-N 0 0 397.266 3.744 20 10 GHCDRN CC(C)C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1nc(-c2nc[nH]n2)no1 ZINC001461398511 1069533717 /nfs/dbraw/zinc/53/37/17/1069533717.db2.gz CAEUODFACAYPIH-GFCCVEGCSA-N 0 0 397.266 3.744 20 10 GHCDRN COc1cccnc1CNC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001142302491 1028622149 /nfs/dbraw/zinc/62/21/49/1028622149.db2.gz YSCBOANCYCWKQX-UHFFFAOYSA-N 0 0 377.444 3.549 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000841475695 1028679515 /nfs/dbraw/zinc/67/95/15/1028679515.db2.gz PCKHNSMEEBQJPF-FCHUYYIVSA-N 0 0 384.545 3.995 20 10 GHCDRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C\c2cccc(S(C)(=O)=O)c2)SC1=S ZINC000841495871 1028696290 /nfs/dbraw/zinc/69/62/90/1028696290.db2.gz JXALYHSZAFFIHW-ZCAUJLLYSA-N 0 0 395.571 3.870 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cccc(C)c1S(C)(=O)=O ZINC000841754391 1028913324 /nfs/dbraw/zinc/91/33/24/1028913324.db2.gz QKVCOQKNOCTBGA-UHFFFAOYSA-N 0 0 376.478 3.548 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2cccc([C@H]3CCC(=O)N3)c2)cc1 ZINC000841762197 1028919012 /nfs/dbraw/zinc/91/90/12/1028919012.db2.gz NKJTWORJHLWVPR-HXUWFJFHSA-N 0 0 380.492 3.806 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000841764771 1028923639 /nfs/dbraw/zinc/92/36/39/1028923639.db2.gz IFHLMIXSFPZIEG-WPRPVWTQSA-N 0 0 383.664 3.798 20 10 GHCDRN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)NCCc2ccc(N)cc2)C1 ZINC000841776947 1028932571 /nfs/dbraw/zinc/93/25/71/1028932571.db2.gz LTYSOIHAXKLHEJ-KRWDZBQOSA-N 0 0 386.927 3.599 20 10 GHCDRN COc1ccccc1[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000841799125 1028944583 /nfs/dbraw/zinc/94/45/83/1028944583.db2.gz PWHMPPRFQSSTKH-FQEVSTJZSA-N 0 0 399.447 3.509 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCn1c2ccccc2[nH]c1=O ZINC001142459712 1028963603 /nfs/dbraw/zinc/96/36/03/1028963603.db2.gz XYYNELHFZPLCAS-UHFFFAOYSA-N 0 0 380.492 3.637 20 10 GHCDRN COc1cccc(CNC(=O)NCCc2ccc(N)cc2)c1OC1CCCC1 ZINC000841816142 1028964474 /nfs/dbraw/zinc/96/44/74/1028964474.db2.gz PIAZGMVCUNTUKY-UHFFFAOYSA-N 0 0 383.492 3.641 20 10 GHCDRN COc1ccc(C[NH2+][C@H](Cc2ccccc2Br)C(=O)[O-])cc1C ZINC000841818270 1028965347 /nfs/dbraw/zinc/96/53/47/1028965347.db2.gz VCRVVMZDUJFUHR-MRXNPFEDSA-N 0 0 378.266 3.552 20 10 GHCDRN Cc1cnc2c(C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)cnn2c1 ZINC001142528341 1029032581 /nfs/dbraw/zinc/03/25/81/1029032581.db2.gz SVEVIUBMIFHNBP-UHFFFAOYSA-N 0 0 377.492 3.737 20 10 GHCDRN CN(c1ccc(CNC(=O)c2cncc(N3CCCC3)n2)cc1)C1CCCCC1 ZINC001142528279 1029032654 /nfs/dbraw/zinc/03/26/54/1029032654.db2.gz PNLAXYJXUINBHM-UHFFFAOYSA-N 0 0 393.535 3.776 20 10 GHCDRN Cn1c2ccc(-c3noc(-c4cccc(O)c4O)n3)cc2nc1C(F)(F)F ZINC001215145967 1029059095 /nfs/dbraw/zinc/05/90/95/1029059095.db2.gz UYUAXRVJBAEXQL-UHFFFAOYSA-N 0 0 376.294 3.720 20 10 GHCDRN CN(C)c1ccc(/C=C/CNc2ccc(C(=O)NC3CCOCC3)cc2)cc1 ZINC000842213499 1029154285 /nfs/dbraw/zinc/15/42/85/1029154285.db2.gz BIMKXRZSGMFZCH-ONEGZZNKSA-N 0 0 379.504 3.787 20 10 GHCDRN Oc1cc(-c2nc(-c3cc(Cl)cc(Br)c3)no2)cc(O)c1O ZINC001215327766 1029156529 /nfs/dbraw/zinc/15/65/29/1029156529.db2.gz RUHNEXZEJQWLIL-UHFFFAOYSA-N 0 0 383.585 3.936 20 10 GHCDRN CC(C)[C@@H]1C[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)CCO1 ZINC001142713477 1029314013 /nfs/dbraw/zinc/31/40/13/1029314013.db2.gz VJRYYLWAXDDJCE-BVSLBCMMSA-N 0 0 388.552 3.711 20 10 GHCDRN COCc1cc(OC)ccc1Nc1c(N)ccc2c1C(=O)c1ccccc1C2=O ZINC001215982323 1029479051 /nfs/dbraw/zinc/47/90/51/1029479051.db2.gz SRIQSIGIKMIIBM-UHFFFAOYSA-N 0 0 388.423 3.943 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3ccnc(N4CC[C@H](C)C4)c3)C2)cc1 ZINC000842874300 1029650996 /nfs/dbraw/zinc/65/09/96/1029650996.db2.gz BNUSXHGMRDBBTF-ROUUACIJSA-N 0 0 395.503 3.620 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)c3scnc3Br)C2)cc1 ZINC000842875699 1029651883 /nfs/dbraw/zinc/65/18/83/1029651883.db2.gz OJVVZENTKUXZMG-LLVKDONJSA-N 0 0 397.294 3.598 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@@H](C)OCc3ccc(F)cc3)C2)cc1 ZINC000842874155 1029651892 /nfs/dbraw/zinc/65/18/92/1029651892.db2.gz KWOWXRHQIWGYFX-SJLPKXTDSA-N 0 0 387.451 3.809 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)c3coc(Br)c3)C2)cc1 ZINC000842879696 1029656314 /nfs/dbraw/zinc/65/63/14/1029656314.db2.gz VMWPOPYFDVKLRE-GFCCVEGCSA-N 0 0 380.238 3.734 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3ccc(-n4cccc4)nc3)C2)cc1 ZINC000842880293 1029658140 /nfs/dbraw/zinc/65/81/40/1029658140.db2.gz WGDDTCHSJAXZLY-KRWDZBQOSA-N 0 0 377.444 3.564 20 10 GHCDRN CNC(=O)[C@@H](C[NH2+][C@H](C)c1ccc(Cl)cc1[O-])Cc1ccc(F)cc1C ZINC000842886883 1029664010 /nfs/dbraw/zinc/66/40/10/1029664010.db2.gz UQPNMPCIGVAMLH-UKRRQHHQSA-N 0 0 378.875 3.749 20 10 GHCDRN Cn1ccc(-c2ccc(Nc3c(N)ccc4c3C(=O)c3ccccc3C4=O)cn2)n1 ZINC001216563359 1029688037 /nfs/dbraw/zinc/68/80/37/1029688037.db2.gz VVCKUQWRTVPCEJ-UHFFFAOYSA-N 0 0 395.422 3.583 20 10 GHCDRN CCOc1ccccc1C(=O)N1CCC[C@@H]1c1nc(Cc2ccc(N)cc2)no1 ZINC000843161571 1029835899 /nfs/dbraw/zinc/83/58/99/1029835899.db2.gz XTYHNJULMHNPTC-GOSISDBHSA-N 0 0 392.459 3.619 20 10 GHCDRN Nc1ccc(Cc2noc([C@H]3CCCN(C(=O)Nc4ccccc4)C3)n2)cc1 ZINC000843162458 1029835997 /nfs/dbraw/zinc/83/59/97/1029835997.db2.gz XTLMVEMQOCIXBG-INIZCTEOSA-N 0 0 377.448 3.654 20 10 GHCDRN CCN(CC)c1ccnc([C@@H]2COCCN2Cc2cccc(C(C)(C)C)c2O)n1 ZINC001143108957 1029846232 /nfs/dbraw/zinc/84/62/32/1029846232.db2.gz ZWXSBFNIZVDHDS-IBGZPJMESA-N 0 0 398.551 3.899 20 10 GHCDRN CC(C)(C)OC(=O)CC[N@H+](Cc1cc(Cl)c(F)cc1[O-])C1CCOCC1 ZINC000843414268 1029987680 /nfs/dbraw/zinc/98/76/80/1029987680.db2.gz YHTHSUGBIWFAED-UHFFFAOYSA-N 0 0 387.879 3.898 20 10 GHCDRN CN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@H](c1ncc[nH]1)c1ccccc1 ZINC001222193671 1029996470 /nfs/dbraw/zinc/99/64/70/1029996470.db2.gz WVTRRILFEGNUPO-NRFANRHFSA-N 0 0 387.487 3.717 20 10 GHCDRN COc1cc(-c2nc(-c3cc(Br)ccc3C)no2)cc(O)c1O ZINC001216944324 1030016562 /nfs/dbraw/zinc/01/65/62/1030016562.db2.gz NQMTVMFMPYVCRL-UHFFFAOYSA-N 0 0 377.194 3.894 20 10 GHCDRN COc1cc(-c2nc(-c3ccc(Br)cc3C)no2)cc(O)c1O ZINC001216944342 1030017995 /nfs/dbraw/zinc/01/79/95/1030017995.db2.gz OKIWTPZMOJQQKS-UHFFFAOYSA-N 0 0 377.194 3.894 20 10 GHCDRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001149240810 1030101993 /nfs/dbraw/zinc/10/19/93/1030101993.db2.gz DSHYPAGZHZIAHE-KPHLJTLVSA-N 0 0 389.498 3.883 20 10 GHCDRN Oc1ccc(-c2nc(-c3cc(F)cc(Cl)c3)no2)cc1CN1CCOCC1 ZINC001217055673 1030127126 /nfs/dbraw/zinc/12/71/26/1030127126.db2.gz XJCBMOFXDOVQNG-UHFFFAOYSA-N 0 0 389.814 3.734 20 10 GHCDRN Cc1cc(-c2noc(-c3cc4cc(O)c(O)cc4[nH]3)n2)ncc1Br ZINC001217471580 1030420785 /nfs/dbraw/zinc/42/07/85/1030420785.db2.gz PTHTXDJMUFOJSJ-UHFFFAOYSA-N 0 0 387.193 3.762 20 10 GHCDRN CC[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@H](O)c1c(F)cccc1F ZINC001150196248 1030444816 /nfs/dbraw/zinc/44/48/16/1030444816.db2.gz GGQNLKYFNJZPAL-SGTLLEGYSA-N 0 0 393.411 3.833 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+]Cc2ccc(C3(C)OCCO3)cc2)c1 ZINC001461676044 1069672117 /nfs/dbraw/zinc/67/21/17/1069672117.db2.gz JRCIMQUSCHCWOW-UHFFFAOYSA-N 0 0 392.293 3.972 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C)c1 ZINC001150543410 1030561571 /nfs/dbraw/zinc/56/15/71/1030561571.db2.gz OBCPWNPEORMXAR-YOEHRIQHSA-N 0 0 394.512 3.860 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Cc2ccc(OCc3ccncc3)cc2)c1 ZINC001150542756 1030561615 /nfs/dbraw/zinc/56/16/15/1030561615.db2.gz DKFLUQSVDJOTFU-INIZCTEOSA-N 0 0 392.455 3.795 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2c(Cl)ccnc2Br)c1 ZINC001150544209 1030562786 /nfs/dbraw/zinc/56/27/86/1030562786.db2.gz ZZTGDJVFRNCRRF-QMMMGPOBSA-N 0 0 385.645 3.703 20 10 GHCDRN COc1cccc(CNC(=O)c2ccc(F)cc2NC(=O)OC(C)(C)C)c1O ZINC001150543780 1030563541 /nfs/dbraw/zinc/56/35/41/1030563541.db2.gz SYAFLEXLCBXVAV-UHFFFAOYSA-N 0 0 390.411 3.817 20 10 GHCDRN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC001461690249 1069680865 /nfs/dbraw/zinc/68/08/65/1069680865.db2.gz YYWGYDLLTMRHIN-YDEXJTGXSA-N 0 0 393.119 3.819 20 10 GHCDRN COc1ccc([C@@H]2CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCN2)cc1 ZINC001150941457 1030715687 /nfs/dbraw/zinc/71/56/87/1030715687.db2.gz FOLIMIIUJGMUPM-QHCPKHFHSA-N 0 0 389.499 3.889 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)N[C@H]2COc3ccc(Cl)cc32)cc1 ZINC001223727613 1030725160 /nfs/dbraw/zinc/72/51/60/1030725160.db2.gz COOVBAFYPCDYKO-SFHVURJKSA-N 0 0 389.883 3.560 20 10 GHCDRN O=c1cc(-c2ccccc2)oc2cc([O-])c(O)c(O[C@@H]3CCC[C@]34CC[NH2+]C4)c12 ZINC001218097804 1030769994 /nfs/dbraw/zinc/76/99/94/1030769994.db2.gz XZTTXNVVQVZNPX-AUSIDOKSSA-N 0 0 393.439 3.782 20 10 GHCDRN Cc1cc(CNC(=O)NC[C@H](C)CC2(C)OCCO2)c(C)n1-c1cccc(C)c1 ZINC001223844675 1030776982 /nfs/dbraw/zinc/77/69/82/1030776982.db2.gz XREVHCSDZJXHFS-QGZVFWFLSA-N 0 0 399.535 3.991 20 10 GHCDRN C[C@H]1CC[C@@](C)(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC001223886142 1030789695 /nfs/dbraw/zinc/78/96/95/1030789695.db2.gz AULKFTXLOBTQSC-AOMKIAJQSA-N 0 0 391.531 3.924 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N[C@]3(C)CC=CCC3)cc2F)C[C@@H](C)O1 ZINC001223897401 1030798392 /nfs/dbraw/zinc/79/83/92/1030798392.db2.gz RCBIFKNWJDJETM-WHSLLNHNSA-N 0 0 375.488 3.737 20 10 GHCDRN Cc1cc(C(=O)NC2(C(N)=O)CCC(C)(C)CC2)c(C)n1-c1ccccc1C ZINC001151218519 1030810614 /nfs/dbraw/zinc/81/06/14/1030810614.db2.gz CKICNDKOUIXCQW-UHFFFAOYSA-N 0 0 381.520 3.957 20 10 GHCDRN COC(=O)[C@H]1NCC[C@H]1Oc1ccc2ccccc2c1/N=N/c1ccccn1 ZINC001218345788 1030905347 /nfs/dbraw/zinc/90/53/47/1030905347.db2.gz AOEHSKWORWQAOS-UELNFTLMSA-N 0 0 376.416 3.933 20 10 GHCDRN CO[C@H]1CN(C(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)[C@](C)(CO)C1 ZINC001151425357 1030905696 /nfs/dbraw/zinc/90/56/96/1030905696.db2.gz MMCRNZCAPBQAOD-OFNKIYASSA-N 0 0 384.520 3.829 20 10 GHCDRN C[C@@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)c1ccccc1O ZINC001151879757 1031037643 /nfs/dbraw/zinc/03/76/43/1031037643.db2.gz YOKGDAGHQGEFLE-MRXNPFEDSA-N 0 0 399.450 3.641 20 10 GHCDRN Cc1cc(I)cc(C(=O)N[C@H](C)c2ccccc2O)c1 ZINC001151891911 1031043951 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GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)c1 ZINC001219851921 1031654666 /nfs/dbraw/zinc/65/46/66/1031654666.db2.gz COPCOSRGKWKFSD-LBPRGKRZSA-N 0 0 399.447 3.641 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](n2cccn2)C(F)(F)F)cc1 ZINC001461799026 1069754525 /nfs/dbraw/zinc/75/45/25/1069754525.db2.gz JOVQWDGBBFYMPQ-QGZVFWFLSA-N 0 0 376.382 3.824 20 10 GHCDRN CC(C)(C(=O)NCc1cccc(O)c1O)c1csc(-c2ccccc2F)n1 ZINC001153798074 1031746657 /nfs/dbraw/zinc/74/66/57/1031746657.db2.gz KTQRRFXRQFAXGK-UHFFFAOYSA-N 0 0 386.448 3.954 20 10 GHCDRN Cc1conc1CNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC001220035544 1031752430 /nfs/dbraw/zinc/75/24/30/1031752430.db2.gz LUQKXEYTZYWSTE-ZDUSSCGKSA-N 0 0 376.888 3.872 20 10 GHCDRN Nc1ccc2c(cccc2C(=O)NCc2cc(Cl)c3cccnc3c2O)n1 ZINC001153810580 1031753900 /nfs/dbraw/zinc/75/39/00/1031753900.db2.gz KJLCNABXQATZRD-UHFFFAOYSA-N 0 0 378.819 3.654 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC001153841996 1031765102 /nfs/dbraw/zinc/76/51/02/1031765102.db2.gz OPQMUGYYNHJYDQ-OAQYLSRUSA-N 0 0 376.456 3.904 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)NC[C@H]2CCN(c3cc(Cl)ccc3C)C2)c1 ZINC001226329878 1031917999 /nfs/dbraw/zinc/91/79/99/1031917999.db2.gz KHSDLZWIVZIBNC-MRXNPFEDSA-N 0 0 387.911 3.988 20 10 GHCDRN Cc1ccc([C@@H](C)Oc2cc(O)c(O)c3c2C(=O)c2ccccc2C3=O)cn1 ZINC001229198249 1033335066 /nfs/dbraw/zinc/33/50/66/1033335066.db2.gz YWTIYHIVIWSYKS-GFCCVEGCSA-N 0 0 375.380 3.717 20 10 GHCDRN O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001229230185 1033355494 /nfs/dbraw/zinc/35/54/94/1033355494.db2.gz WGDNRTRKKOXRFH-KLHDSHLOSA-N 0 0 379.451 3.745 20 10 GHCDRN O=C(NCc1c(O)ccc2ccccc21)c1nc(Br)ccc1F ZINC001157041369 1033383846 /nfs/dbraw/zinc/38/38/46/1033383846.db2.gz FRNNOEXPFBOYQE-UHFFFAOYSA-N 0 0 375.197 3.772 20 10 GHCDRN C[C@@H](CC(=O)NCc1c(O)ccc2ccccc21)n1cc(Br)cn1 ZINC001157051068 1033388852 /nfs/dbraw/zinc/38/88/52/1033388852.db2.gz PNDUEIOZCLZFHD-LBPRGKRZSA-N 0 0 388.265 3.772 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(Br)c(F)cc1F ZINC001157102208 1033414015 /nfs/dbraw/zinc/41/40/15/1033414015.db2.gz KLJSWTZXQWJUPK-UHFFFAOYSA-N 0 0 391.208 3.849 20 10 GHCDRN COC(=O)[C@@H](NCc1ccc(OC)c(Cn2cccn2)c1)c1ccc(C)c(C)c1 ZINC001205465196 1033423632 /nfs/dbraw/zinc/42/36/32/1033423632.db2.gz DXRFHTFAULRJCA-QFIPXVFZSA-N 0 0 393.487 3.561 20 10 GHCDRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1Cc1c(O)cccc1Br ZINC001205486919 1033437366 /nfs/dbraw/zinc/43/73/66/1033437366.db2.gz XTNKRVGNDIQQCB-BETUJISGSA-N 0 0 399.329 3.984 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2cc(COC)cc(C(=O)OC)c2)cc1 ZINC001205546140 1033462962 /nfs/dbraw/zinc/46/29/62/1033462962.db2.gz JTNWROFJCGXMGR-UHFFFAOYSA-N 0 0 399.491 3.788 20 10 GHCDRN C[C@H](C[N+](C)(C)C)OC1=CC(=O)C=CC1=NNc1ccc(S(=O)(=O)[O-])cc1 ZINC001229418160 1033471137 /nfs/dbraw/zinc/47/11/37/1033471137.db2.gz WBXTXXZVCGOEFS-CYBMUJFWSA-O 0 0 394.473 3.528 20 10 GHCDRN O=C1c2cccc(Nc3cnn(C4COC4)c3)c2C(=O)c2cccc(Cl)c21 ZINC001205577762 1033478151 /nfs/dbraw/zinc/47/81/51/1033478151.db2.gz UVVNUHZKVHISRF-UHFFFAOYSA-N 0 0 379.803 3.627 20 10 GHCDRN CCCC[C@H](CC)Oc1c(O)c(O)ccc1C(=O)c1cc(O)c(O)c(O)c1 ZINC001229785254 1033711267 /nfs/dbraw/zinc/71/12/67/1033711267.db2.gz GFTWCHNXGFVPKV-LBPRGKRZSA-N 0 0 376.405 3.793 20 10 GHCDRN CCC[C@H](Oc1c(O)c(O)ccc1C(=O)c1cc(O)c(O)c(O)c1)C(C)C ZINC001229786401 1033712697 /nfs/dbraw/zinc/71/26/97/1033712697.db2.gz NIPFUMDZZQKZNO-INIZCTEOSA-N 0 0 376.405 3.649 20 10 GHCDRN Cc1ccc([C@@H](C)Oc2c(O)c(O)ccc2C(=O)c2cc(O)c(O)c(O)c2)cc1 ZINC001229790939 1033718411 /nfs/dbraw/zinc/71/84/11/1033718411.db2.gz LMRNSKLOERQCFQ-GFCCVEGCSA-N 0 0 396.395 3.894 20 10 GHCDRN CCOC(=O)c1ncnc(Cl)c1NCc1cc(Cl)c2cccnc2c1O ZINC001157726200 1033741591 /nfs/dbraw/zinc/74/15/91/1033741591.db2.gz GWHOHHINIRICPA-UHFFFAOYSA-N 0 0 393.230 3.826 20 10 GHCDRN COc1ccc(N2CCN(c3ccc(Nc4ccc[nH]c4=O)cc3)CC2)cc1 ZINC001206470874 1033858888 /nfs/dbraw/zinc/85/88/88/1033858888.db2.gz OXAWMVMJXKEFDG-UHFFFAOYSA-N 0 0 376.460 3.866 20 10 GHCDRN CO[C@@H]1[C@H](C)[C@@H](NC(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1(C)C ZINC001206566224 1033909689 /nfs/dbraw/zinc/90/96/89/1033909689.db2.gz DDWFNBBDMVNCRG-FSPWUOQZSA-N 0 0 379.464 3.577 20 10 GHCDRN CC[C@@H](O)CN(Cc1ccccc1)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001230196035 1033939622 /nfs/dbraw/zinc/93/96/22/1033939622.db2.gz UQAGZGIJJIMFCH-AUSIDOKSSA-N 0 0 397.563 3.975 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H](C)[C@H](O)c1cccc(F)c1 ZINC001230196250 1033940696 /nfs/dbraw/zinc/94/06/96/1033940696.db2.gz WYUPIGNHSQBSKF-MRUHUIDDSA-N 0 0 387.499 3.552 20 10 GHCDRN Cc1ccc(S(=O)(=O)N(c2ccc(N)cc2)c2cnc(N(C)C)cc2C)cc1 ZINC001206741823 1033965130 /nfs/dbraw/zinc/96/51/30/1033965130.db2.gz AOZKLGRVXDSYPU-UHFFFAOYSA-N 0 0 396.516 3.874 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](CC(C)C)C(=O)OC(C)(C)C)c1 ZINC001230284283 1033977571 /nfs/dbraw/zinc/97/75/71/1033977571.db2.gz YYELRLIDEALYFV-HUUCEWRRSA-N 0 0 394.512 3.765 20 10 GHCDRN Cc1ncc(CN2CCN(c3ccc(OCc4cccnc4)cc3)CC2)s1 ZINC001207064464 1034078908 /nfs/dbraw/zinc/07/89/08/1034078908.db2.gz STABWGWOVBOUKK-UHFFFAOYSA-N 0 0 380.517 3.748 20 10 GHCDRN CC(C)(C)c1csc(CC2(O)CC[NH+](Cc3cc(F)c(F)cc3[O-])CC2)n1 ZINC001207150120 1034128542 /nfs/dbraw/zinc/12/85/42/1034128542.db2.gz CKELQHKJSJIBTK-UHFFFAOYSA-N 0 0 396.503 3.994 20 10 GHCDRN C[C@@H](Cc1ccco1)Oc1ccc([N+](=O)[O-])c2c1C(=O)c1ccccc1C2=O ZINC001231257537 1034487865 /nfs/dbraw/zinc/48/78/65/1034487865.db2.gz GSKYUYDYQPQGHY-LBPRGKRZSA-N 0 0 377.352 3.973 20 10 GHCDRN O=C1c2ccccc2C(=O)c2c([N+](=O)[O-])ccc(O[C@H]3CC(F)(F)C3(F)F)c21 ZINC001231258097 1034488213 /nfs/dbraw/zinc/48/82/13/1034488213.db2.gz PEJGNCGSIXLGGY-LBPRGKRZSA-N 0 0 395.264 3.792 20 10 GHCDRN CN(C)c1ccc(N=O)c(OCCO[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001231286899 1034502917 /nfs/dbraw/zinc/50/29/17/1034502917.db2.gz KCCTXTSSHHMZID-HNNXBMFYSA-N 0 0 379.457 3.555 20 10 GHCDRN C[C@@H]1CCCCN1c1nc2ccccc2nc1NCC(=O)c1ccc(O)c(O)c1 ZINC001159279224 1034519245 /nfs/dbraw/zinc/51/92/45/1034519245.db2.gz MSZROABKGMPWQF-CQSZACIVSA-N 0 0 392.459 3.715 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H](CO)c1ccc(F)cc1 ZINC001159287241 1034523218 /nfs/dbraw/zinc/52/32/18/1034523218.db2.gz JMJMSXUNMVDONP-HXUWFJFHSA-N 0 0 380.419 3.509 20 10 GHCDRN CC(C)=CCN1CCC2(CC[NH+](Cc3cc(F)cc(Cl)c3[O-])CC2)C1=O ZINC001277508037 1034530536 /nfs/dbraw/zinc/53/05/36/1034530536.db2.gz UKWLGHMKKRXGNC-UHFFFAOYSA-N 0 0 380.891 3.965 20 10 GHCDRN COCCOCCOc1cccc(NCc2ccc(Br)cc2O)c1 ZINC001207696587 1034532052 /nfs/dbraw/zinc/53/20/52/1034532052.db2.gz SRNRCXICQVUMAX-UHFFFAOYSA-N 0 0 396.281 3.809 20 10 GHCDRN Cc1cncnc1O[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001231468925 1034614240 /nfs/dbraw/zinc/61/42/40/1034614240.db2.gz IZGANVJJJBINIL-OAQYLSRUSA-N 0 0 391.471 3.723 20 10 GHCDRN CN(C)c1ccc(CN(C)S(=O)(=O)C2=Cc3cc(Cl)ccc3OC2)cc1 ZINC001208031608 1034711318 /nfs/dbraw/zinc/71/13/18/1034711318.db2.gz LCMSKRWHHBEMLE-UHFFFAOYSA-N 0 0 392.908 3.601 20 10 GHCDRN 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ZINC001247958774 1038515370 /nfs/dbraw/zinc/51/53/70/1038515370.db2.gz CKBLNHAYOKTYKS-UHFFFAOYSA-N 0 0 377.194 3.510 20 10 GHCDRN Oc1ccc(Cc2nc(-c3cc(F)c(Br)c(F)c3)no2)cc1O ZINC001247958881 1038515395 /nfs/dbraw/zinc/51/53/95/1038515395.db2.gz HGFZIJJTJWPKMM-UHFFFAOYSA-N 0 0 383.148 3.779 20 10 GHCDRN Oc1ccc(Cc2nc(-c3ccc(OCc4ccccc4)cn3)no2)cc1O ZINC001247960375 1038516260 /nfs/dbraw/zinc/51/62/60/1038516260.db2.gz BXOAKQCAAINVAQ-UHFFFAOYSA-N 0 0 375.384 3.713 20 10 GHCDRN O=C1CSC(=S)N1CCCc1nc(-c2ccc(Cl)cc2Cl)no1 ZINC001248040409 1038551798 /nfs/dbraw/zinc/55/17/98/1038551798.db2.gz MYYSJIAGPMJSMV-UHFFFAOYSA-N 0 0 388.301 3.836 20 10 GHCDRN CCOC(=O)[C@H]1c2ccc(Cl)cc2CCN1Cc1ccc(N(C)C)cc1O ZINC001232841491 1038592144 /nfs/dbraw/zinc/59/21/44/1038592144.db2.gz ILNHMRXANFNWOU-HXUWFJFHSA-N 0 0 388.895 3.774 20 10 GHCDRN COc1ccc(N2CCN(Cc3cc(Cl)cnc3Br)CC2)cc1 ZINC001232957446 1038733488 /nfs/dbraw/zinc/73/34/88/1038733488.db2.gz CSUKIRSPSGIDGS-UHFFFAOYSA-N 0 0 396.716 3.828 20 10 GHCDRN O=C(c1ccccc1)N1CCC2(C1)CC[NH+](Cc1ccc(F)c(F)c1[O-])CC2 ZINC001233075367 1038838176 /nfs/dbraw/zinc/83/81/76/1038838176.db2.gz WLPDRFPDQFHCTL-UHFFFAOYSA-N 0 0 386.442 3.799 20 10 GHCDRN c1ccc(COc2ccc(N3CCN(Cc4nc5ccccn5n4)CC3)cc2)cc1 ZINC001233075402 1038838205 /nfs/dbraw/zinc/83/82/05/1038838205.db2.gz DVFNEVBFKHWJJP-UHFFFAOYSA-N 0 0 399.498 3.631 20 10 GHCDRN O=C1CCC2(CC[NH+](Cc3ccc(F)c(F)c3[O-])CC2)N1Cc1ccccc1 ZINC001233076924 1038842515 /nfs/dbraw/zinc/84/25/15/1038842515.db2.gz IJVGBMRHKWZUCL-UHFFFAOYSA-N 0 0 386.442 3.828 20 10 GHCDRN [O-]c1c(C[NH+]2CCN(c3cccc(OC(F)(F)F)c3)CC2)ccc(F)c1F ZINC001233079950 1038847441 /nfs/dbraw/zinc/84/74/41/1038847441.db2.gz OHUMTSZCQHUVAE-UHFFFAOYSA-N 0 0 388.336 3.891 20 10 GHCDRN CCOC(=O)c1c(CN2CCOC[C@@H]2c2csc(C)n2)c2ccccc2n1C ZINC001233270823 1039038660 /nfs/dbraw/zinc/03/86/60/1039038660.db2.gz BRKDHDIESHZXAH-LJQANCHMSA-N 0 0 399.516 3.693 20 10 GHCDRN CCOC(=O)c1c(CN2CCCc3cc(O)c(O)cc3C2)c2ccccc2n1C ZINC001233273081 1039041328 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GHCDRN CC(C)Cn1c(C2SC=CC2=O)nnc1N1CCO[C@@H](CC(F)(F)F)C1 ZINC001358120347 1067404257 /nfs/dbraw/zinc/40/42/57/1067404257.db2.gz UPZYEGYWYOMLCL-NSHDSACASA-N 0 0 390.431 3.526 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC001468012548 1067564447 /nfs/dbraw/zinc/56/44/47/1067564447.db2.gz ZAKWEWTWJCOORO-NRFANRHFSA-N 0 0 385.471 3.774 20 10 GHCDRN CC(=O)Nc1ccc(CCNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)cc1 ZINC001477808882 1078575382 /nfs/dbraw/zinc/57/53/82/1078575382.db2.gz HPCVRQUIHWIEOA-UHFFFAOYSA-N 0 0 394.519 3.629 20 10 GHCDRN COc1ccc(NC(=[NH2+])NCc2cccc(Br)c2[O-])cc1Cl ZINC000849105404 1067730629 /nfs/dbraw/zinc/73/06/29/1067730629.db2.gz LJANGSIJFASPOD-UHFFFAOYSA-N 0 0 384.661 3.953 20 10 GHCDRN CC1(C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@](C)(C(F)(F)F)O1 ZINC001468445247 1067733819 /nfs/dbraw/zinc/73/38/19/1067733819.db2.gz DLAPVLGLBVRZGY-MRXNPFEDSA-N 0 0 389.395 3.885 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=S)Nc3ccc(OC)c(Cl)c3)C2)cc1 ZINC000849270439 1067782773 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ZINC001472592017 1073566419 /nfs/dbraw/zinc/56/64/19/1073566419.db2.gz OXZBZYZBRSHEBT-HIFRSBDPSA-N 0 0 387.407 3.537 20 10 GHCDRN CCN(C)c1ccc(C[N@H+](CCC(=O)OC)Cc2ccc(F)c(F)c2)cc1 ZINC001473167583 1073825643 /nfs/dbraw/zinc/82/56/43/1073825643.db2.gz IHBLHPRADUHPKP-UHFFFAOYSA-N 0 0 376.447 3.986 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCc1nccc2c1CCCC2 ZINC001479303999 1079175356 /nfs/dbraw/zinc/17/53/56/1079175356.db2.gz OVPLIPQPEVSVRA-UHFFFAOYSA-N 0 0 378.520 3.902 20 10 GHCDRN Cc1ccc([C@@H](CC(F)(F)F)NCC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC001473355297 1073934132 /nfs/dbraw/zinc/93/41/32/1073934132.db2.gz ZGGPWDMQQNIMTJ-LJQANCHMSA-N 0 0 393.453 3.961 20 10 GHCDRN NC(=O)CN(Cc1ccccc1)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001474310203 1074334452 /nfs/dbraw/zinc/33/44/52/1074334452.db2.gz SCGUSEMAVVPARJ-UHFFFAOYSA-N 0 0 385.511 3.737 20 10 GHCDRN CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001474309600 1074334515 /nfs/dbraw/zinc/33/45/15/1074334515.db2.gz FHQVXFDEMDXTSN-NSHDSACASA-N 0 0 389.721 3.546 20 10 GHCDRN COc1cc(CN2CCn3ncc(Br)c3C2)c(O)c(C(C)(C)C)c1 ZINC001474628732 1074489943 /nfs/dbraw/zinc/48/99/43/1074489943.db2.gz OIAKZTGDYZPUFN-UHFFFAOYSA-N 0 0 394.313 3.673 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cccc2scnc21 ZINC001474858462 1074596294 /nfs/dbraw/zinc/59/62/94/1074596294.db2.gz OOIQLQRQWYSLOH-UHFFFAOYSA-N 0 0 389.546 3.962 20 10 GHCDRN Cc1c(C)n(C)c2ccc(OS(=O)(=O)c3ccc4c(c3)OC(F)(F)O4)cc12 ZINC001475404460 1074863263 /nfs/dbraw/zinc/86/32/63/1074863263.db2.gz QXDJYDHFVOYYCH-UHFFFAOYSA-N 0 0 395.383 3.884 20 10 GHCDRN O=S(=O)(Cc1c(Cl)cccc1Cl)NCc1cccc(Cl)c1O ZINC001475774069 1075018895 /nfs/dbraw/zinc/01/88/95/1075018895.db2.gz PSRAEDWUWYJQEG-UHFFFAOYSA-N 0 0 380.680 3.972 20 10 GHCDRN COC(=O)c1cc(NC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cn1C ZINC001476283538 1075115704 /nfs/dbraw/zinc/11/57/04/1075115704.db2.gz DRDFRKXIPZMWOQ-UHFFFAOYSA-N 0 0 394.475 3.583 20 10 GHCDRN Cc1cc(C[NH2+][C@@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])ccc1N(C)C ZINC001607647768 1126234387 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GHCDRN Cc1ccc(C)n1-c1nc(CC(=O)N2CCOc3cc(N(C)C)ccc32)cs1 ZINC000173195968 837595116 /nfs/dbraw/zinc/59/51/16/837595116.db2.gz DTTMWTATEFSGNU-UHFFFAOYSA-N 0 0 396.516 3.585 20 10 GHCDRN O=C(Nc1cccc(-c2cc[nH]n2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000274500660 834350549 /nfs/dbraw/zinc/35/05/49/834350549.db2.gz SJENFENKIUAFGA-LJQANCHMSA-N 0 0 392.459 3.995 20 10 GHCDRN COc1cc(/C=C2/SC(=S)N(c3cccnc3)C2=O)cc(OC)c1OC ZINC000211636408 837770572 /nfs/dbraw/zinc/77/05/72/837770572.db2.gz UFPXTCKIEJJKSL-OQLLNIDSSA-N 0 0 388.470 3.513 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](CO)C2CCOCC2)c(C)n1-c1cccc(C(C)C)c1 ZINC000782841255 837804608 /nfs/dbraw/zinc/80/46/08/837804608.db2.gz WORVGRAQKGIFBV-QFIPXVFZSA-N 0 0 384.520 3.735 20 10 GHCDRN Cc1cc(NCc2ccc(N3CCC(CO)CC3)cc2)nc(-c2ccncc2)n1 ZINC000057827523 834877151 /nfs/dbraw/zinc/87/71/51/834877151.db2.gz WONFMNRCYAJQQT-UHFFFAOYSA-N 0 0 389.503 3.668 20 10 GHCDRN CN(C(=O)/C=C/c1cnc(C(C)(C)C)s1)c1ccccc1S(C)(=O)=O ZINC000130201660 835001515 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O=S1(=O)CC[C@H](CSc2ncc(-c3ccccc3)n2CC(F)(F)F)C1 ZINC000278674102 835752848 /nfs/dbraw/zinc/75/28/48/835752848.db2.gz LKSOPIIDXHYFLP-GFCCVEGCSA-N 0 0 390.452 3.639 20 10 GHCDRN O=C(NCC[C@@H]1CNc2ccccc21)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000892374149 835780904 /nfs/dbraw/zinc/78/09/04/835780904.db2.gz AVCRTJDYUFVIHB-IEBWSBKVSA-N 0 0 395.503 3.682 20 10 GHCDRN COc1ccc(CNc2cccc(CS(=O)(=O)C(C)(C)C)c2)c(O)c1OC ZINC000892375548 835840440 /nfs/dbraw/zinc/84/04/40/835840440.db2.gz OIBSQIJCJOUGTQ-UHFFFAOYSA-N 0 0 393.505 3.735 20 10 GHCDRN CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000179740030 835960745 /nfs/dbraw/zinc/96/07/45/835960745.db2.gz UZAHWUCMNGGLCN-GFCCVEGCSA-N 0 0 385.302 3.501 20 10 GHCDRN Clc1ncc(NCc2ccc(N3CCOCC3)cc2)cc1Br ZINC000318323746 836050288 /nfs/dbraw/zinc/05/02/88/836050288.db2.gz VSJIYAIDCPMKRU-UHFFFAOYSA-N 0 0 382.689 3.946 20 10 GHCDRN CCCOc1ccc(CNc2ccc3c(c2)CCC(=O)N3CCOC)c(O)c1 ZINC000275074724 836131127 /nfs/dbraw/zinc/13/11/27/836131127.db2.gz 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Cc1cc(Br)cc2c(C(=O)NCc3ccc(O)c(O)c3)coc21 ZINC000771419579 875228185 /nfs/dbraw/zinc/22/81/85/875228185.db2.gz XVANNIDBSOWRRY-UHFFFAOYSA-N 0 0 376.206 3.845 20 10 GHCDRN COC(=O)C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc2ccccc2c1 ZINC000771656754 875361985 /nfs/dbraw/zinc/36/19/85/875361985.db2.gz VLKNFWDVJXEXCM-ABMFHFBKSA-N 0 0 391.423 3.685 20 10 GHCDRN Oc1ccccc1CN(C[C@H]1CCCO1)c1nccc(OCc2ccccc2)n1 ZINC000771675704 875415244 /nfs/dbraw/zinc/41/52/44/875415244.db2.gz PYBHKWVAKGSLFI-HXUWFJFHSA-N 0 0 391.471 3.947 20 10 GHCDRN CCOc1cccc(/C=C\C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000858201589 882935119 /nfs/dbraw/zinc/93/51/19/882935119.db2.gz QJTTXBCYHYFOQK-XFXZXTDPSA-N 0 0 380.488 3.594 20 10 GHCDRN COc1ccc([C@@H](OC)[C@@H](C)NC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000771941053 875563062 /nfs/dbraw/zinc/56/30/62/875563062.db2.gz QADQTELJTAEAEU-VGSWGCGISA-N 0 0 397.519 3.871 20 10 GHCDRN O=C(NCCCSc1nccs1)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000151583226 875631303 /nfs/dbraw/zinc/63/13/03/875631303.db2.gz 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ZINC000772348192 875909426 /nfs/dbraw/zinc/90/94/26/875909426.db2.gz DMTQVADWPZRSMY-UHFFFAOYSA-N 0 0 395.322 3.586 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCc1nnc(-c2ccccc2)s1 ZINC000151784184 875932960 /nfs/dbraw/zinc/93/29/60/875932960.db2.gz RCQGDUOIUSRGQP-UHFFFAOYSA-N 0 0 381.505 3.579 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3sc([C@@H](C)OC)nc3C)CC2)cc1 ZINC000176381315 875940393 /nfs/dbraw/zinc/94/03/93/875940393.db2.gz UDCITPQEQREMLY-CQSZACIVSA-N 0 0 389.521 3.566 20 10 GHCDRN CN1CCCc2cc(CNC(=O)N[C@@H](c3ccccc3)[C@H]3CCOC3)ccc21 ZINC000772453936 875946048 /nfs/dbraw/zinc/94/60/48/875946048.db2.gz GSDHVTMIAVVPKS-UNMCSNQZSA-N 0 0 379.504 3.646 20 10 GHCDRN Cc1cc(Br)cc(CN[C@@H](C)c2cn(-c3ccccc3)nn2)c1O ZINC000776233454 875993664 /nfs/dbraw/zinc/99/36/64/875993664.db2.gz BDIYEFATKGPWPS-ZDUSSCGKSA-N 0 0 387.281 3.895 20 10 GHCDRN CC[C@@H](C)[C@H](NC(=O)NCc1cccc(Br)c1O)C(F)(F)F ZINC000772522279 875994408 /nfs/dbraw/zinc/99/44/08/875994408.db2.gz HDPHRMUHZLJNDA-PELKAZGASA-N 0 0 383.208 3.931 20 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COc1cc(CNc2cccc(N3C(=O)CNC3=O)c2C)c(O)c(C(C)(C)C)c1 ZINC000850283005 876778670 /nfs/dbraw/zinc/77/86/70/876778670.db2.gz NBXCBIZWCIGOAT-UHFFFAOYSA-N 0 0 397.475 3.675 20 10 GHCDRN COc1cc(CNc2cnn(CC(=O)OC(C)(C)C)c2)c(O)c(C(C)(C)C)c1 ZINC000850333345 876818955 /nfs/dbraw/zinc/81/89/55/876818955.db2.gz BSPDIOXHVZYVLY-UHFFFAOYSA-N 0 0 389.496 3.849 20 10 GHCDRN COC[C@@H]([NH2+]Cc1cc(C)cc(Br)c1[O-])c1cccc(OC)c1 ZINC000850362394 876849783 /nfs/dbraw/zinc/84/97/83/876849783.db2.gz MYMYIVGTGRCQLP-QGZVFWFLSA-N 0 0 380.282 3.949 20 10 GHCDRN CN(c1ccc(CNC(=O)c2ccc(-n3cncn3)cc2)cc1)C1CCCCC1 ZINC000109300388 876865305 /nfs/dbraw/zinc/86/53/05/876865305.db2.gz LEXVQYBXJRWGQP-UHFFFAOYSA-N 0 0 389.503 3.966 20 10 GHCDRN CN(c1ccc(CNC(=O)C(=O)NCc2cccc(F)c2)cc1)C1CCCCC1 ZINC000786676023 876885802 /nfs/dbraw/zinc/88/58/02/876885802.db2.gz VPZBZPYAQLPEPD-UHFFFAOYSA-N 0 0 397.494 3.527 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)c1 ZINC000850419265 876900362 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386.471 3.608 20 10 GHCDRN Cc1c(C(=O)NCc2ccc3c(c2)CCCN3C)cnn1-c1ccccc1F ZINC000109460721 877101751 /nfs/dbraw/zinc/10/17/51/877101751.db2.gz WWSJHHYVZRXPDG-UHFFFAOYSA-N 0 0 378.451 3.632 20 10 GHCDRN O=C1CCCN1CC[C@@H]1CN(Cc2c[nH]nc2-c2cccnc2)c2ccccc21 ZINC000180778222 883098777 /nfs/dbraw/zinc/09/87/77/883098777.db2.gz XZCZCPOSESVNKN-GOSISDBHSA-N 0 0 387.487 3.588 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCCN2CCOC2=O)cc1 ZINC000772693720 877138991 /nfs/dbraw/zinc/13/89/91/877138991.db2.gz HNMNYJKVKIPAIW-UHFFFAOYSA-N 0 0 395.463 3.740 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cc(O)cc(Br)c1 ZINC000858451812 883107603 /nfs/dbraw/zinc/10/76/03/883107603.db2.gz CSRGJFFQOMGMNQ-UHFFFAOYSA-N 0 0 375.266 3.685 20 10 GHCDRN CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000858452322 883107709 /nfs/dbraw/zinc/10/77/09/883107709.db2.gz KCYLMWSLXZPKMA-MRXNPFEDSA-N 0 0 375.513 3.549 20 10 GHCDRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000787469547 877439608 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Cc1cc(N(C)C)ccc1CNC(=O)NCCc1ccccc1OC(F)F ZINC000788106604 877817767 /nfs/dbraw/zinc/81/77/67/877817767.db2.gz NPPVNWGLPOFLKD-UHFFFAOYSA-N 0 0 377.435 3.704 20 10 GHCDRN Cc1c2cc(F)ccc2oc1S(=O)(=O)NCCCSc1nccs1 ZINC000760575508 877911820 /nfs/dbraw/zinc/91/18/20/877911820.db2.gz ROBMIFNWNKWCIN-UHFFFAOYSA-N 0 0 386.495 3.798 20 10 GHCDRN Oc1ccccc1CN(Cc1ncsc1Br)C[C@@H]1CCCO1 ZINC000851840151 877936310 /nfs/dbraw/zinc/93/63/10/877936310.db2.gz AIJOFYIMWVUYJR-ZDUSSCGKSA-N 0 0 383.311 3.792 20 10 GHCDRN Cc1cccc(O[C@H](C)CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1 ZINC000761485835 877980138 /nfs/dbraw/zinc/98/01/38/877980138.db2.gz JKOIXCVMSWJGOG-CQSZACIVSA-N 0 0 388.851 3.586 20 10 GHCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H](O)c2cccc(OCc3ccccc3)c2)c1 ZINC000152392124 877989149 /nfs/dbraw/zinc/98/91/49/877989149.db2.gz MEZUKKKTVWEOPT-JOCHJYFZSA-N 0 0 394.427 3.703 20 10 GHCDRN CCN(CCOc1ccccc1OC)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000851986946 878017601 /nfs/dbraw/zinc/01/76/01/878017601.db2.gz IYLQEHDRCNSHKJ-UHFFFAOYSA-N 0 0 397.519 3.906 20 10 GHCDRN CSCC1(CCNC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000851991168 878019719 /nfs/dbraw/zinc/01/97/19/878019719.db2.gz GZLUPAWPGIFQEY-UHFFFAOYSA-N 0 0 379.595 3.572 20 10 GHCDRN CC(C)[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1F ZINC000852004501 878026123 /nfs/dbraw/zinc/02/61/23/878026123.db2.gz GNCUZVHOPQSLPX-NRFANRHFSA-N 0 0 385.483 3.859 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3nc4ccccc4s3)C2)cc1 ZINC000852111565 878080862 /nfs/dbraw/zinc/08/08/62/878080862.db2.gz HPQSBZWMHXUBLR-GJZGRUSLSA-N 0 0 396.516 3.944 20 10 GHCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1ncnn1C(C)C ZINC000788493590 878102210 /nfs/dbraw/zinc/10/22/10/878102210.db2.gz MSXYUTCXVOTJAN-UHFFFAOYSA-N 0 0 385.493 3.806 20 10 GHCDRN CCS[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852178205 878123802 /nfs/dbraw/zinc/12/38/02/878123802.db2.gz RFNFQNKBGFDJGX-UXHICEINSA-N 0 0 391.581 3.511 20 10 GHCDRN COc1ccc(N2CCC(NS(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 ZINC000110464583 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CC1(C)COc2c1cccc2C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000790001694 879388474 /nfs/dbraw/zinc/38/84/74/879388474.db2.gz PTEKDERURVBNMW-QGZVFWFLSA-N 0 0 381.472 3.884 20 10 GHCDRN CCOC1(C(=O)OCC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CCOCC1 ZINC000853946006 879392251 /nfs/dbraw/zinc/39/22/51/879392251.db2.gz GAMULEFKVWVFDN-UHFFFAOYSA-N 0 0 399.487 3.714 20 10 GHCDRN Cc1ccnc(NCc2ccc(N3CCC(O)CC3)cc2)c1Br ZINC000853955715 879399697 /nfs/dbraw/zinc/39/96/97/879399697.db2.gz VTSSEEXOEFBHIS-UHFFFAOYSA-N 0 0 376.298 3.726 20 10 GHCDRN CC1(C)CCCN(c2ccnc(NCc3ccc(N4CCC(O)CC4)cc3)n2)C1 ZINC000853958508 879401603 /nfs/dbraw/zinc/40/16/03/879401603.db2.gz WKEHWKCNWVDYMN-UHFFFAOYSA-N 0 0 395.551 3.676 20 10 GHCDRN C[C@H](NC(=O)N[C@H](c1cccs1)C(C)(C)CO)c1ccc(N(C)C)cc1 ZINC000854004439 879432497 /nfs/dbraw/zinc/43/24/97/879432497.db2.gz RPTIXTLVVNAAQA-KBXCAEBGSA-N 0 0 375.538 3.934 20 10 GHCDRN Cc1cc(Cc2nc(CCCn3ccccc3=O)no2)c(C)n1-c1ccccc1 ZINC000854028795 879455308 /nfs/dbraw/zinc/45/53/08/879455308.db2.gz 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/nfs/dbraw/zinc/93/79/38/879937938.db2.gz PMQSCKZCYVMBBO-UHFFFAOYSA-N 0 0 382.327 3.918 20 10 GHCDRN Cc1ccnc2ccc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc12 ZINC000285954203 912514427 /nfs/dbraw/zinc/51/44/27/912514427.db2.gz GJGUWQFFNBKVIC-UHFFFAOYSA-N 0 0 393.462 3.573 20 10 GHCDRN Cc1cc(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)c(C)n1-c1cccc(C(C)C)c1 ZINC000181189314 880051963 /nfs/dbraw/zinc/05/19/63/880051963.db2.gz DIIWPERFZBWMLU-GOSISDBHSA-N 0 0 393.531 3.958 20 10 GHCDRN Cc1cc(CCNC(=O)NCc2cnc3n2CCCC3)c(C)n1-c1ccccc1 ZINC000790972551 880132831 /nfs/dbraw/zinc/13/28/31/880132831.db2.gz QSHXEWHCGZBAIG-UHFFFAOYSA-N 0 0 391.519 3.669 20 10 GHCDRN COC(=O)c1cnc([C@@H](C)NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)s1 ZINC000854984181 880195559 /nfs/dbraw/zinc/19/55/59/880195559.db2.gz FBNMJQCKWHEDRW-CQSZACIVSA-N 0 0 397.500 3.757 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H](C)Oc1ccccc1 ZINC000791246954 880281852 /nfs/dbraw/zinc/28/18/52/880281852.db2.gz RTPGUYVLHYVRLG-KRWDZBQOSA-N 0 0 398.503 3.843 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CC[C@@H]1CC[C@H](C)O1 ZINC000791250373 880284131 /nfs/dbraw/zinc/28/41/31/880284131.db2.gz PWOYOVITLSRGRL-LPHOPBHVSA-N 0 0 390.524 3.723 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H](OC)c1ccccc1 ZINC000791251075 880285045 /nfs/dbraw/zinc/28/50/45/880285045.db2.gz YPUSTULFWVXRLW-JOCHJYFZSA-N 0 0 398.503 3.763 20 10 GHCDRN CN1CCCc2cc(CNC(=O)Cc3coc(-c4ccc(F)cc4)n3)ccc21 ZINC000113039643 880286126 /nfs/dbraw/zinc/28/61/26/880286126.db2.gz DXTJAYDBFLDBDT-UHFFFAOYSA-N 0 0 379.435 3.722 20 10 GHCDRN Cc1cc(C(=O)NCc2noc(C(F)(F)F)n2)c(C)n1-c1ccc(F)cc1 ZINC000791283718 880321617 /nfs/dbraw/zinc/32/16/17/880321617.db2.gz KNMLPDNSDWXGDT-UHFFFAOYSA-N 0 0 382.317 3.565 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)/C(C)=C/c3ccc(OC)c(F)c3)C2)cc1 ZINC000855228062 880372326 /nfs/dbraw/zinc/37/23/26/880372326.db2.gz UQXSFOUXNOVHKK-VMEIHUARSA-N 0 0 384.451 3.641 20 10 GHCDRN C/C=C/c1ccc(OCC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c(OC)c1 ZINC000855229002 880373635 /nfs/dbraw/zinc/37/36/35/880373635.db2.gz IXPGDWSDMQTKGL-SHCNBLLESA-N 0 0 396.487 3.511 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3ccc(Br)cc3F)C2)cc1 ZINC000855229076 880374467 /nfs/dbraw/zinc/37/44/67/880374467.db2.gz JXJYNDUNPCZJMV-ZDUSSCGKSA-N 0 0 393.256 3.606 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3ccc(OCC(F)(F)F)cc3)C2)cc1 ZINC000855232169 880376761 /nfs/dbraw/zinc/37/67/61/880376761.db2.gz OTJPSUXXVIZCJN-HNNXBMFYSA-N 0 0 394.393 3.645 20 10 GHCDRN C[C@@H](NC(=O)c1ccn(C2CCCCC2)n1)c1ccc(N2CCOCC2)cc1 ZINC000791542857 880489484 /nfs/dbraw/zinc/48/94/84/880489484.db2.gz STFYBOULWVWRFD-QGZVFWFLSA-N 0 0 382.508 3.716 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)c(C)n1-c1cccc(C(C)C)c1 ZINC000855677856 880672720 /nfs/dbraw/zinc/67/27/20/880672720.db2.gz VSBWOEJQMXYBAL-DENIHFKCSA-N 0 0 393.531 3.958 20 10 GHCDRN Cc1c(NC(=O)NCCCSc2nccs2)cccc1NC(=O)N(C)C ZINC000791908717 880798397 /nfs/dbraw/zinc/79/83/97/880798397.db2.gz LZFHGKIRWOBDHX-UHFFFAOYSA-N 0 0 393.538 3.849 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccc(NC(=O)N(C)C)c1C ZINC000791909584 880798613 /nfs/dbraw/zinc/79/86/13/880798613.db2.gz VLZOPAMPWNXQTP-UHFFFAOYSA-N 0 0 383.496 3.785 20 10 GHCDRN CC[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(F)cc1[O-] ZINC000286183772 912611105 /nfs/dbraw/zinc/61/11/05/912611105.db2.gz QYBKUGFELLSODZ-UGSOOPFHSA-N 0 0 380.485 3.584 20 10 GHCDRN C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000792052973 880868779 /nfs/dbraw/zinc/86/87/79/880868779.db2.gz XAZLNAWYBBRMBN-ZQIUZPCESA-N 0 0 385.430 3.567 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000792050365 880894088 /nfs/dbraw/zinc/89/40/88/880894088.db2.gz GHAUKIQJKAFQMU-CTNGQTDRSA-N 0 0 397.494 3.798 20 10 GHCDRN O=C(NC1CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1)c1ccc(F)cc1 ZINC000792162091 880930528 /nfs/dbraw/zinc/93/05/28/880930528.db2.gz CBRDJLUMPWFGTF-UHFFFAOYSA-N 0 0 380.822 3.718 20 10 GHCDRN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CC[C@@H]2C[C@@H]2C1 ZINC000856060440 880939084 /nfs/dbraw/zinc/93/90/84/880939084.db2.gz ZEQCGJSXOQAHDX-WHJZCPEBSA-N 0 0 392.571 3.598 20 10 GHCDRN CSc1nc2ccc(NC(=O)NCCc3ccc(O)c(O)c3)cc2s1 ZINC000761609790 880981029 /nfs/dbraw/zinc/98/10/29/880981029.db2.gz HIEVOYZUEVWMOO-UHFFFAOYSA-N 0 0 375.475 3.794 20 10 GHCDRN Cc1cccc(OCCCCC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000856211029 881044419 /nfs/dbraw/zinc/04/44/19/881044419.db2.gz WTHGVAFVOUKHLA-UHFFFAOYSA-N 0 0 396.531 3.822 20 10 GHCDRN O=C(CCSCc1ccccc1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856213424 881048202 /nfs/dbraw/zinc/04/82/02/881048202.db2.gz LRFCQZPRRRXTAR-UHFFFAOYSA-N 0 0 384.545 3.587 20 10 GHCDRN O=C(CC1CC(c2ccccc2)C1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856213480 881048713 /nfs/dbraw/zinc/04/87/13/881048713.db2.gz NQQLFGGONKUGHM-UHFFFAOYSA-N 0 0 378.516 3.848 20 10 GHCDRN Cc1cc(C(=O)N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)c(C)n1-c1ccccn1 ZINC000856360988 881172018 /nfs/dbraw/zinc/17/20/18/881172018.db2.gz UFRLGULVRHPBNK-ZFWWWQNUSA-N 0 0 381.398 3.671 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(Br)s2)c1 ZINC000103508152 881241348 /nfs/dbraw/zinc/24/13/48/881241348.db2.gz RACXXFOOSYGECY-VIFPVBQESA-N 0 0 385.283 3.785 20 10 GHCDRN Cc1cc(C(=O)Nc2cccc(OCC(N)=O)c2)c(C)n1-c1cccc(Cl)c1 ZINC000919977985 881286387 /nfs/dbraw/zinc/28/63/87/881286387.db2.gz NZPVQWMUFKPVCV-UHFFFAOYSA-N 0 0 397.862 3.864 20 10 GHCDRN O=C(COc1ccc(OCc2ccccc2)cc1)N1CCc2cccc(O)c2C1 ZINC001183593081 912667568 /nfs/dbraw/zinc/66/75/68/912667568.db2.gz KDSTVOYJWRUIPM-UHFFFAOYSA-N 0 0 389.451 3.935 20 10 GHCDRN O=C(Cc1coc(-c2ccc(F)cc2)n1)NCCCSc1nccs1 ZINC000114374532 881336681 /nfs/dbraw/zinc/33/66/81/881336681.db2.gz NPVXPYUOUGKKCJ-UHFFFAOYSA-N 0 0 377.466 3.778 20 10 GHCDRN Cc1c(C(=O)NCCCSc2nccs2)cnn1-c1ccc(F)cc1F ZINC000114374884 881337468 /nfs/dbraw/zinc/33/74/68/881337468.db2.gz REKVXAFXOVQPCB-UHFFFAOYSA-N 0 0 394.472 3.828 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)CCCCNC(=O)OC(C)(C)C)c1 ZINC000858481155 883133827 /nfs/dbraw/zinc/13/38/27/883133827.db2.gz DFORXDIIXGPTTN-OAHLLOKOSA-N 0 0 379.501 3.583 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)c2ccc(N3CCCOC3=O)cc2)c1 ZINC000858487974 883138579 /nfs/dbraw/zinc/13/85/79/883138579.db2.gz MOLBSSUTIBXNKW-OAHLLOKOSA-N 0 0 383.448 3.608 20 10 GHCDRN CCOc1cccc(CCC(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000858590387 883219441 /nfs/dbraw/zinc/21/94/41/883219441.db2.gz VZNSXBBJQFIWPF-UHFFFAOYSA-N 0 0 384.545 3.888 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC[C@H](c2nc(C)no2)C1 ZINC000858674688 883275472 /nfs/dbraw/zinc/27/54/72/883275472.db2.gz WNHIMMQUNKPQIB-KRWDZBQOSA-N 0 0 392.459 3.618 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000804739554 883299257 /nfs/dbraw/zinc/29/92/57/883299257.db2.gz JKFMMDQFHCRSPI-OLZOCXBDSA-N 0 0 382.204 3.853 20 10 GHCDRN CC(C)(C)c1cnc(CCC(=O)NCc2cc(Br)ccc2O)o1 ZINC000804739908 883299960 /nfs/dbraw/zinc/29/99/60/883299960.db2.gz YDNFMTFHNAXAHQ-UHFFFAOYSA-N 0 0 381.270 3.689 20 10 GHCDRN Cc1ccc(C(=O)N[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c(O)c1O ZINC000804749581 883305973 /nfs/dbraw/zinc/30/59/73/883305973.db2.gz UFJJCWBJZRKWJM-LJQANCHMSA-N 0 0 395.377 3.557 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000804734311 883315614 /nfs/dbraw/zinc/31/56/14/883315614.db2.gz AOGDJBFSAHKTNM-UHFFFAOYSA-N 0 0 390.212 3.614 20 10 GHCDRN C[C@H](CC(=O)NCc1cc(Br)ccc1O)C(=O)c1ccccc1 ZINC000804734085 883316378 /nfs/dbraw/zinc/31/63/78/883316378.db2.gz CJDQECNCKBLADT-GFCCVEGCSA-N 0 0 376.250 3.680 20 10 GHCDRN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NCc1cc(Br)ccc1O ZINC000804735817 883318583 /nfs/dbraw/zinc/31/85/83/883318583.db2.gz GCFFVXCLKCAKQY-SECBINFHSA-N 0 0 386.192 3.517 20 10 GHCDRN CCCOc1cc(OC)ccc1C(=O)NCc1cc(Br)ccc1O ZINC000804736544 883319354 /nfs/dbraw/zinc/31/93/54/883319354.db2.gz XJESMRVQOXHACE-UHFFFAOYSA-N 0 0 394.265 3.882 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nc(C(F)(F)F)n2c1CCCC2 ZINC000858826139 883383142 /nfs/dbraw/zinc/38/31/42/883383142.db2.gz DVQIVUKPQDKLFO-UHFFFAOYSA-N 0 0 394.441 3.967 20 10 GHCDRN COC(=O)/C=C/c1ccc(N2CCCN(c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000804825828 883387761 /nfs/dbraw/zinc/38/77/61/883387761.db2.gz HKWSBKYZCLAQIB-CSKARUKUSA-N 0 0 399.422 3.637 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)OCc1cccc(Cl)c1 ZINC000859004110 883532228 /nfs/dbraw/zinc/53/22/28/883532228.db2.gz GFAKAYQMSLNBAR-UHFFFAOYSA-N 0 0 392.858 3.867 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[C@H]4CCC[C@H]4C3)cc2)CC1 ZINC000805024510 883539186 /nfs/dbraw/zinc/53/91/86/883539186.db2.gz JEPCYIDJWKIPEN-QHAWAJNXSA-N 0 0 397.563 3.624 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2CCc3ccc(C)cc32)cc1 ZINC000805056921 883565652 /nfs/dbraw/zinc/56/56/52/883565652.db2.gz MTMKHRDXCCUOHQ-JOCHJYFZSA-N 0 0 393.531 3.603 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NC(C)(C)c3nc(C)cs3)CC2)cc1 ZINC000116543097 883586248 /nfs/dbraw/zinc/58/62/48/883586248.db2.gz YZDNYXDPLDCRLP-UHFFFAOYSA-N 0 0 388.537 3.663 20 10 GHCDRN Cc1c(NNC(=S)Nc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000783734706 883648404 /nfs/dbraw/zinc/64/84/04/883648404.db2.gz OWUKPNGGRLEHQV-UHFFFAOYSA-N 0 0 381.255 3.979 20 10 GHCDRN CC[C@H](Oc1ccccc1F)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000175353556 883685743 /nfs/dbraw/zinc/68/57/43/883685743.db2.gz CXAFCIBUNRBBSU-IBGZPJMESA-N 0 0 388.508 3.853 20 10 GHCDRN C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000175376686 883691788 /nfs/dbraw/zinc/69/17/88/883691788.db2.gz VYWRHRSXWBSOMB-XLIONFOSSA-N 0 0 397.494 3.750 20 10 GHCDRN Cc1ncsc1/C=C/C(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000186744264 883699253 /nfs/dbraw/zinc/69/92/53/883699253.db2.gz LJSJXEOXCIBSAE-ROJDOSBLSA-N 0 0 381.501 3.608 20 10 GHCDRN CC[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1cc(C)ccc1C ZINC000859276586 883713017 /nfs/dbraw/zinc/71/30/17/883713017.db2.gz ITVKWYIMYLVGJL-OAQYLSRUSA-N 0 0 381.520 3.595 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(NC(N)=O)cc2)cc1 ZINC000914491720 883716035 /nfs/dbraw/zinc/71/60/35/883716035.db2.gz PWEKZGQTWYEAJI-UHFFFAOYSA-N 0 0 392.459 3.679 20 10 GHCDRN Cc1cc(Br)cc([C@@H](C)NCc2nnc3n2CCCCC3)c1O ZINC000186931323 883717656 /nfs/dbraw/zinc/71/76/56/883717656.db2.gz SVYAIMBCANNLNW-GFCCVEGCSA-N 0 0 379.302 3.632 20 10 GHCDRN Cc1cccc2c1OCC[C@H]2NC(=O)NCc1cc(Br)ccc1O ZINC000805332813 883762906 /nfs/dbraw/zinc/76/29/06/883762906.db2.gz GEDGTRLECKVUHD-OAHLLOKOSA-N 0 0 391.265 3.786 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CSCCS2)cc1 ZINC000914499629 883787811 /nfs/dbraw/zinc/78/78/11/883787811.db2.gz YKSJACIZLROUGZ-SFHVURJKSA-N 0 0 376.547 3.723 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2cnn(CC(F)F)c2)cc1 ZINC000859439872 883813852 /nfs/dbraw/zinc/81/38/52/883813852.db2.gz KAVCQNANLMGENN-UHFFFAOYSA-N 0 0 386.402 3.549 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000859459759 883826607 /nfs/dbraw/zinc/82/66/07/883826607.db2.gz GRVHPPDUROCVRB-XZOQPEGZSA-N 0 0 396.506 3.844 20 10 GHCDRN COC(=O)[C@@]1(NCc2ccc(N3CCC(OC)CC3)cc2)CCCC(C)(C)C1 ZINC000859549266 883887996 /nfs/dbraw/zinc/88/79/96/883887996.db2.gz QTKXXQSDDLJZEH-HSZRJFAPSA-N 0 0 388.552 3.903 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CCc2ccccc2CC1 ZINC000859734742 884023110 /nfs/dbraw/zinc/02/31/10/884023110.db2.gz XYVWLSRMCXWSHT-UHFFFAOYSA-N 0 0 396.506 3.598 20 10 GHCDRN CC(=O)c1cc(F)cc(CN(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1O ZINC000805768414 884101421 /nfs/dbraw/zinc/10/14/21/884101421.db2.gz IWGJZMBWZIXAIQ-WMLDXEAASA-N 0 0 375.465 3.735 20 10 GHCDRN Cc1nc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000760455622 884105633 /nfs/dbraw/zinc/10/56/33/884105633.db2.gz BHXAGXYXRKVNNC-UHFFFAOYSA-N 0 0 378.379 3.981 20 10 GHCDRN COC(=O)/C=C\c1ccc(N2CCc3[nH]c4ccc(F)cc4c3C2)c([N+](=O)[O-])c1 ZINC000914571971 884178040 /nfs/dbraw/zinc/17/80/40/884178040.db2.gz XKLAMBGFNPVVQB-CLTKARDFSA-N 0 0 395.390 3.964 20 10 GHCDRN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897653997 884278324 /nfs/dbraw/zinc/27/83/24/884278324.db2.gz YIOGSNYNUQRFJL-RZFFKMDDSA-N 0 0 375.490 3.714 20 10 GHCDRN O=C(c1cccc(O)c1O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000193003508 884319928 /nfs/dbraw/zinc/31/99/28/884319928.db2.gz KRZRFNMKHNWJEW-ZDUSSCGKSA-N 0 0 399.834 3.821 20 10 GHCDRN O=C(NCCC1(F)CCC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000806048791 884322380 /nfs/dbraw/zinc/32/23/80/884322380.db2.gz WVPZNWWEFSZIPN-CQSZACIVSA-N 0 0 385.430 3.838 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCCc2nc(C)c(C)s2)cc1 ZINC000860125529 884348137 /nfs/dbraw/zinc/34/81/37/884348137.db2.gz GNEJYLIGYMTZER-UHFFFAOYSA-N 0 0 395.528 3.881 20 10 GHCDRN CC[C@H]([NH2+]Cc1nnnn1-c1ccccc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806133936 884352736 /nfs/dbraw/zinc/35/27/36/884352736.db2.gz FYEGFVKHEJXHOX-HNNXBMFYSA-N 0 0 378.263 3.916 20 10 GHCDRN COC[C@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1F ZINC000806133256 884353114 /nfs/dbraw/zinc/35/31/14/884353114.db2.gz KJQHJYXMAZPVJP-IBGZPJMESA-N 0 0 378.875 3.793 20 10 GHCDRN COc1ccc(C)cc1NC(=O)COC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000914614233 884353259 /nfs/dbraw/zinc/35/32/59/884353259.db2.gz WIRQKQCDSKWTBL-UHFFFAOYSA-N 0 0 393.443 3.602 20 10 GHCDRN CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)NCC1CC1 ZINC000026519963 884360663 /nfs/dbraw/zinc/36/06/63/884360663.db2.gz BPODSHSAADAJNV-UHFFFAOYSA-N 0 0 394.338 3.951 20 10 GHCDRN C[C@@H]([NH2+][C@@H](C)CN(C)C)c1cc(Br)cc(Br)c1[O-] ZINC000806169568 884390521 /nfs/dbraw/zinc/39/05/21/884390521.db2.gz HNRMIAOHPWTVSD-DTWKUNHWSA-N 0 0 380.124 3.518 20 10 GHCDRN Cc1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])n(-c2ccccn2)n1 ZINC000806169577 884390991 /nfs/dbraw/zinc/39/09/91/884390991.db2.gz NNKOPMKVDCSVEW-UHFFFAOYSA-N 0 0 392.246 3.910 20 10 GHCDRN CC[C@H]([NH2+][C@@H](CCSC)C(=O)N(C)OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806147035 884404877 /nfs/dbraw/zinc/40/48/77/884404877.db2.gz FNJPHJSTDGSPPI-KBPBESRZSA-N 0 0 395.352 3.881 20 10 GHCDRN CC(C)CN1c2ccccc2[C@]2(CC[N@H+](Cc3cc(F)c(F)cc3[O-])C2)C1=O ZINC001142520133 884474208 /nfs/dbraw/zinc/47/42/08/884474208.db2.gz CAKSVDSIVLLPGS-JOCHJYFZSA-N 0 0 386.442 3.817 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(NC(=O)OC(C)(C)C)nc2)c1 ZINC000860242459 884474606 /nfs/dbraw/zinc/47/46/06/884474606.db2.gz RRBQLIHWNXARKG-LBPRGKRZSA-N 0 0 387.436 3.634 20 10 GHCDRN CC[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1C)c1ccc(Cl)s1 ZINC000806226824 884487551 /nfs/dbraw/zinc/48/75/51/884487551.db2.gz FDKSNPGVYNFGQK-OAHLLOKOSA-N 0 0 393.940 3.660 20 10 GHCDRN CCOc1ccc(OC)cc1NC(=O)NCc1cc(Br)ccc1O ZINC000806259911 884513134 /nfs/dbraw/zinc/51/31/34/884513134.db2.gz IKXFYWSWCXGNOY-UHFFFAOYSA-N 0 0 395.253 3.884 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000860339703 884576952 /nfs/dbraw/zinc/57/69/52/884576952.db2.gz JTASLQGPCGXXOY-MOPGFXCFSA-N 0 0 380.488 3.795 20 10 GHCDRN Cc1noc(C)c1[C@H](C)NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000806387659 884627059 /nfs/dbraw/zinc/62/70/59/884627059.db2.gz KBUDIWRTXBYENF-AWEZNQCLSA-N 0 0 399.491 3.536 20 10 GHCDRN Cc1cc2c(cc1NC(=O)NCc1cc(Br)ccc1O)OCO2 ZINC000806401338 884681137 /nfs/dbraw/zinc/68/11/37/884681137.db2.gz 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/nfs/dbraw/zinc/11/83/26/886118326.db2.gz WQHVQRQWZIJOCD-UHFFFAOYSA-N 0 0 390.487 3.669 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC3(C[C@@H]2C)CCOCC3)cc1 ZINC000862115179 886127048 /nfs/dbraw/zinc/12/70/48/886127048.db2.gz VKWCIOZBBZXFEC-SFHVURJKSA-N 0 0 394.515 3.867 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(N3CCNC3=O)c(C)c2)cc1 ZINC000919695191 886153288 /nfs/dbraw/zinc/15/32/88/886153288.db2.gz PMFSBRMKLQFBGX-UHFFFAOYSA-N 0 0 394.519 3.643 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Cc3cnc4ccccc4c3)CC2)cc1 ZINC000118777538 886189976 /nfs/dbraw/zinc/18/99/76/886189976.db2.gz CYDAZSWUEVLPOO-UHFFFAOYSA-N 0 0 375.472 3.525 20 10 GHCDRN Cc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1C(F)(F)F ZINC000862226304 886223985 /nfs/dbraw/zinc/22/39/85/886223985.db2.gz ZINGZQPNDFNZAT-UHFFFAOYSA-N 0 0 392.421 3.905 20 10 GHCDRN Cc1ccc(CS(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1C ZINC000808295520 886227741 /nfs/dbraw/zinc/22/77/41/886227741.db2.gz ZDAJLLUKAOHVHS-FQEVSTJZSA-N 0 0 389.517 3.520 20 10 GHCDRN CCS(=O)(=O)c1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000762472516 886254848 /nfs/dbraw/zinc/25/48/48/886254848.db2.gz TXWSXVOEAZJLPS-UHFFFAOYSA-N 0 0 388.533 3.597 20 10 GHCDRN FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1cnc(C2CC2)o1 ZINC000862274040 886272268 /nfs/dbraw/zinc/27/22/68/886272268.db2.gz WJRJOKDMKSEATN-UHFFFAOYSA-N 0 0 381.398 3.697 20 10 GHCDRN COc1cc(N(C)Cc2cc(C)c(Br)cn2)cc(OC)c1OC ZINC000862306998 886289070 /nfs/dbraw/zinc/28/90/70/886289070.db2.gz RDZMMEGTVQCZPS-UHFFFAOYSA-N 0 0 381.270 3.815 20 10 GHCDRN COc1cc(N(C)Cc2c(O)cccc2Br)cc(OC)c1OC ZINC000862306583 886289338 /nfs/dbraw/zinc/28/93/38/886289338.db2.gz MFFRXRNZHMICSG-UHFFFAOYSA-N 0 0 382.254 3.817 20 10 GHCDRN C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000155097111 886380593 /nfs/dbraw/zinc/38/05/93/886380593.db2.gz ZBEJFZRBRLYXDT-INIZCTEOSA-N 0 0 389.565 3.680 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H](c1ccccc1)C(F)(F)F ZINC000919792219 886389194 /nfs/dbraw/zinc/38/91/94/886389194.db2.gz XBWCSQWCZYUWAN-GOSISDBHSA-N 0 0 393.409 3.626 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@H]1CCCN(C(=O)OCC)C1 ZINC000777268187 886504761 /nfs/dbraw/zinc/50/47/61/886504761.db2.gz YLZDPLQVSQEZEQ-IRXDYDNUSA-N 0 0 391.512 3.571 20 10 GHCDRN Nc1ccc(NC(=O)Nc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3CO)cc2)cc1 ZINC001184158846 913053411 /nfs/dbraw/zinc/05/34/11/913053411.db2.gz FDEUBHGKHNSOFC-AUUYWEPGSA-N 0 0 382.464 3.650 20 10 GHCDRN C[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[C@H](C)c1ccccc1 ZINC000174882773 886602434 /nfs/dbraw/zinc/60/24/34/886602434.db2.gz VURASKYFJITBST-RBUKOAKNSA-N 0 0 395.547 3.887 20 10 GHCDRN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000919860423 886623817 /nfs/dbraw/zinc/62/38/17/886623817.db2.gz YARQVRCKOMMFMY-COPCDDAFSA-N 0 0 388.552 3.617 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1csc(Br)c1 ZINC000032455116 886627999 /nfs/dbraw/zinc/62/79/99/886627999.db2.gz HQRKVUXHZVERNY-UHFFFAOYSA-N 0 0 395.322 3.619 20 10 GHCDRN COC(=O)[C@@H](C)[C@@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)c1ccccc1 ZINC000119094437 886634708 /nfs/dbraw/zinc/63/47/08/886634708.db2.gz CDCIBLUOHQXREG-HRAATJIYSA-N 0 0 391.471 3.769 20 10 GHCDRN CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3cc(Br)c(F)cc3[O-])[C@H]2C1 ZINC000808723456 886705712 /nfs/dbraw/zinc/70/57/12/886705712.db2.gz OCRJQIMBTBEZTK-JYWREEKISA-N 0 0 399.304 3.591 20 10 GHCDRN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N(C1CC1)C1CC1 ZINC000862852490 886706032 /nfs/dbraw/zinc/70/60/32/886706032.db2.gz LPTGZRASHGYFFX-PTNGSMBKSA-N 0 0 392.571 3.883 20 10 GHCDRN C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000808780093 886769476 /nfs/dbraw/zinc/76/94/76/886769476.db2.gz HSSHFNFXRSINPA-HTAPYJJXSA-N 0 0 393.531 3.541 20 10 GHCDRN CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825562329 886788425 /nfs/dbraw/zinc/78/84/25/886788425.db2.gz KDAISQUHZLXKJT-LBPRGKRZSA-N 0 0 385.302 3.501 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)N[C@H]3CCc4c3cccc4C)CC2)cc1 ZINC000729622007 886878633 /nfs/dbraw/zinc/87/86/33/886878633.db2.gz WCFPBAFVJFHJQE-QFIPXVFZSA-N 0 0 379.504 3.913 20 10 GHCDRN Cc1cc(CNC(=O)C2CCN(CC(F)(F)F)CC2)c(C)n1-c1ccccc1 ZINC000863164909 886900257 /nfs/dbraw/zinc/90/02/57/886900257.db2.gz WSWHEKUUDGVSRA-UHFFFAOYSA-N 0 0 393.453 3.985 20 10 GHCDRN COc1cc(Cl)c(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1C ZINC000808935682 886949707 /nfs/dbraw/zinc/94/97/07/886949707.db2.gz HECPJEFPIULOPO-CYBMUJFWSA-N 0 0 389.883 3.539 20 10 GHCDRN C[C@@H]1CC(=O)N(C)c2ccc(NC(=S)NCCCN(C)c3ccccc3)cc21 ZINC000863243230 886956972 /nfs/dbraw/zinc/95/69/72/886956972.db2.gz LGPCHYGCXBWJJW-MRXNPFEDSA-N 0 0 396.560 3.970 20 10 GHCDRN C[C@H](NC(=O)Cc1cc(-c2ccccc2)on1)c1ccc(N2CCOCC2)cc1 ZINC000119377130 886993983 /nfs/dbraw/zinc/99/39/83/886993983.db2.gz RGEQBKHMWTUFQC-KRWDZBQOSA-N 0 0 391.471 3.598 20 10 GHCDRN Cc1cc(C(=O)N(C)C[C@H]2C[C@@H](O)C2)c(C)n1-c1ccccc1Br ZINC000863387104 887078317 /nfs/dbraw/zinc/07/83/17/887078317.db2.gz SUAJWQYDNUQHME-GASCZTMLSA-N 0 0 391.309 3.700 20 10 GHCDRN O=C(Nc1ccc(F)nc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000127611964 887083923 /nfs/dbraw/zinc/08/39/23/887083923.db2.gz PGZJKKCTUDTZLZ-UHFFFAOYSA-N 0 0 380.370 3.613 20 10 GHCDRN CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cncs3)c2C)cc1 ZINC000809231817 887213792 /nfs/dbraw/zinc/21/37/92/887213792.db2.gz UHSPLNGZMVDRPH-UHFFFAOYSA-N 0 0 384.457 3.989 20 10 GHCDRN C[C@@H]1CCC[C@H](CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)[C@H]1C ZINC000809239401 887220823 /nfs/dbraw/zinc/22/08/23/887220823.db2.gz WCPCHUQALSIXOT-FGTMMUONSA-N 0 0 398.503 3.703 20 10 GHCDRN COCCOc1ncccc1CNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000915633883 887253222 /nfs/dbraw/zinc/25/32/22/887253222.db2.gz JSRAGPZAGYKVDH-UHFFFAOYSA-N 0 0 393.487 3.753 20 10 GHCDRN Cc1oc(-c2cccs2)nc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000915623905 887258168 /nfs/dbraw/zinc/25/81/68/887258168.db2.gz MTCVUMZMZQFPOH-UHFFFAOYSA-N 0 0 397.500 3.820 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2cccc(N3CCNC3=O)c2)cc1 ZINC000915686422 887304457 /nfs/dbraw/zinc/30/44/57/887304457.db2.gz XBNYWOOHHOLHNJ-UHFFFAOYSA-N 0 0 395.507 3.726 20 10 GHCDRN O=C(NCCOCC(F)(F)F)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000915756922 887406296 /nfs/dbraw/zinc/40/62/96/887406296.db2.gz VVYQXZPMZZMKHH-UHFFFAOYSA-N 0 0 394.353 3.736 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2c(C(F)(F)F)cnn2C)cc1 ZINC001131719666 887433310 /nfs/dbraw/zinc/43/33/10/887433310.db2.gz JPOCOUIQRMBYBL-UHFFFAOYSA-N 0 0 376.382 3.776 20 10 GHCDRN C[C@H](NC(=O)NC1(c2cccc(F)c2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000119752283 887487145 /nfs/dbraw/zinc/48/71/45/887487145.db2.gz BVSYOGPACGVPMK-INIZCTEOSA-N 0 0 383.467 3.712 20 10 GHCDRN CC(C)c1nnc([C@H](C)NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)[nH]1 ZINC000763012690 887541600 /nfs/dbraw/zinc/54/16/00/887541600.db2.gz FBROQALJPHRZPB-INIZCTEOSA-N 0 0 384.528 3.725 20 10 GHCDRN CCOC(=O)C1(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)CCCC1 ZINC001131785332 887611461 /nfs/dbraw/zinc/61/14/61/887611461.db2.gz PONWVJUPZWLMNV-UHFFFAOYSA-N 0 0 382.504 3.876 20 10 GHCDRN C[C@H]1CSC[C@@H]1[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000809702057 887683895 /nfs/dbraw/zinc/68/38/95/887683895.db2.gz CICKFBFLPMBCKB-CPCISQLKSA-N 0 0 381.133 3.758 20 10 GHCDRN CN(c1ccccc1)S(=O)(=O)c1cccc(NCc2cc(F)ccc2O)c1 ZINC000809680012 887699586 /nfs/dbraw/zinc/69/95/86/887699586.db2.gz OJYBFLQWUKLQAL-UHFFFAOYSA-N 0 0 386.448 3.969 20 10 GHCDRN CCCC[N@H+](CCCO)Cc1cc(Br)cc(Br)c1[O-] ZINC000809752554 887790706 /nfs/dbraw/zinc/79/07/06/887790706.db2.gz RUEJHSXCXHKEDB-UHFFFAOYSA-N 0 0 395.135 3.902 20 10 GHCDRN CN(C)c1cc(F)c(C[NH2+][C@@H](CCSc2ccccc2)C(=O)[O-])cc1F ZINC000864512608 887816925 /nfs/dbraw/zinc/81/69/25/887816925.db2.gz KJMLMWSBFZEYCM-KRWDZBQOSA-N 0 0 380.460 3.756 20 10 GHCDRN COc1cc(Cl)cc(CN2CCN(c3nccc4sccc43)CC2)c1O ZINC000809786591 887838528 /nfs/dbraw/zinc/83/85/28/887838528.db2.gz GCQRULXJIDDSQT-UHFFFAOYSA-N 0 0 389.908 3.986 20 10 GHCDRN COC(=O)Nc1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)ccc1F ZINC000171276758 887854311 /nfs/dbraw/zinc/85/43/11/887854311.db2.gz VRNPUUDHESRECD-UHFFFAOYSA-N 0 0 386.427 3.926 20 10 GHCDRN Cc1cc(-c2csc(NC(=O)c3ncn(C)n3)n2)c(C)n1-c1ccc(C)cc1 ZINC000809989512 888045242 /nfs/dbraw/zinc/04/52/42/888045242.db2.gz BMNIJJIJWNRJAU-UHFFFAOYSA-N 0 0 392.488 3.907 20 10 GHCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1c(F)cncc1Br ZINC000865031952 888148714 /nfs/dbraw/zinc/14/87/14/888148714.db2.gz PUFHWXKNEHGSIM-UHFFFAOYSA-N 0 0 392.272 3.904 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)C(C)(C)c3cccc(OC)c3)CC2)cc1 ZINC000865116098 888202572 /nfs/dbraw/zinc/20/25/72/888202572.db2.gz TWBDVWBARJKMNN-UHFFFAOYSA-N 0 0 382.504 3.767 20 10 GHCDRN C[C@@H]([NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000794822405 888239016 /nfs/dbraw/zinc/23/90/16/888239016.db2.gz BXRYKPDGDGSSFV-NUYPLMSZSA-N 0 0 387.402 3.756 20 10 GHCDRN Oc1cc2c(cc1CNc1ccc(-n3ccc(C(F)(F)F)n3)cc1)OCO2 ZINC000810174435 888257840 /nfs/dbraw/zinc/25/78/40/888257840.db2.gz SWDKNBUSUSSSMS-UHFFFAOYSA-N 0 0 377.322 3.938 20 10 GHCDRN COC(=O)c1c(F)ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1C ZINC000810260627 888325343 /nfs/dbraw/zinc/32/53/43/888325343.db2.gz FGNMBIACAJWAKJ-UHFFFAOYSA-N 0 0 383.423 3.619 20 10 GHCDRN C[C@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1cc(Br)cc(Cl)c1[O-] ZINC000810243790 888343456 /nfs/dbraw/zinc/34/34/56/888343456.db2.gz UPOBQIBIZZDHGK-JTQLQIEISA-N 0 0 397.700 3.687 20 10 GHCDRN Cc1c(Cl)nccc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000810286897 888382974 /nfs/dbraw/zinc/38/29/74/888382974.db2.gz FMZODRMMAHYBGU-HNNXBMFYSA-N 0 0 375.856 3.962 20 10 GHCDRN COCCCOc1cnc(-c2noc(-c3ccc(-n4cccc4)c(F)c3)n2)cn1 ZINC000810330790 888402079 /nfs/dbraw/zinc/40/20/79/888402079.db2.gz PCDZLVSOPMYIAB-UHFFFAOYSA-N 0 0 395.394 3.539 20 10 GHCDRN C[C@@H]([NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000794842886 888420009 /nfs/dbraw/zinc/42/00/09/888420009.db2.gz SZXSXWJIYZXDHM-YGRLFVJLSA-N 0 0 386.326 3.583 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)CCCn2c(C)cc(=O)cc2C)cc1F ZINC000810371138 888466316 /nfs/dbraw/zinc/46/63/16/888466316.db2.gz VCQPPFWNTYIKJS-UHFFFAOYSA-N 0 0 387.499 3.547 20 10 GHCDRN C[C@H](Cn1ccc2ccccc21)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000794854467 888477707 /nfs/dbraw/zinc/47/77/07/888477707.db2.gz UOQZGCKTMUBVMS-LJQANCHMSA-N 0 0 391.515 3.773 20 10 GHCDRN CC(C)N(C)c1ccc(/C=C2/c3cc(Br)cnc3N(C)C2=O)cn1 ZINC000794877228 888653862 /nfs/dbraw/zinc/65/38/62/888653862.db2.gz JILBZYPJWOVCFY-CHHVJCJISA-N 0 0 387.281 3.601 20 10 GHCDRN C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccncc1 ZINC000866137604 888748901 /nfs/dbraw/zinc/74/89/01/888748901.db2.gz BSALNDFMVWWOOD-ZBFHGGJFSA-N 0 0 375.419 3.572 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1csc2ccccc12 ZINC000916138291 888760605 /nfs/dbraw/zinc/76/06/05/888760605.db2.gz DTHZQWQDLLFRKC-UHFFFAOYSA-N 0 0 380.513 3.939 20 10 GHCDRN O=C(CSc1nccs1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000916159898 888777237 /nfs/dbraw/zinc/77/72/37/888777237.db2.gz YMFMVXXRCRMSME-UHFFFAOYSA-N 0 0 383.542 3.733 20 10 GHCDRN C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)NCCCSc1nccs1 ZINC000120981177 888802183 /nfs/dbraw/zinc/80/21/83/888802183.db2.gz 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Cc1cccc(NC(=O)CSCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773988979 911237708 /nfs/dbraw/zinc/23/77/08/911237708.db2.gz MQDKOFKSDPWDEI-INIZCTEOSA-N 0 0 385.533 3.610 20 10 GHCDRN C[C@H](NC(=O)CCCC(=O)c1ccc2c(c1)OCCO2)c1ccc(N(C)C)cc1 ZINC000773995398 911243291 /nfs/dbraw/zinc/24/32/91/911243291.db2.gz UVBLYKAZZXZFFT-INIZCTEOSA-N 0 0 396.487 3.754 20 10 GHCDRN COC(=O)C1(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CCCCC1 ZINC000247826623 911452241 /nfs/dbraw/zinc/45/22/41/911452241.db2.gz JMOULWMFKBURJW-UHFFFAOYSA-N 0 0 384.476 3.708 20 10 GHCDRN CC[C@H](CSC)N(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000774172815 911469239 /nfs/dbraw/zinc/46/92/39/911469239.db2.gz SMBBRSRKZZSDIM-HLLBOEOZSA-N 0 0 397.560 3.722 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774182835 911501979 /nfs/dbraw/zinc/50/19/79/911501979.db2.gz KAKOGQMMXKGNKX-NEPJUHHUSA-N 0 0 394.302 3.727 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000283542616 911551457 /nfs/dbraw/zinc/55/14/57/911551457.db2.gz DGQHILCTOQOWIW-MRXNPFEDSA-N 0 0 395.503 3.984 20 10 GHCDRN COc1ccc2c(c1)C[C@@H](C(=O)N[C@@H]1c3c(c(C)cc(C)c3O)CC1(C)C)O2 ZINC001182363280 911560424 /nfs/dbraw/zinc/56/04/24/911560424.db2.gz WUQSDVBMWWVMHM-GHTZIAJQSA-N 0 0 381.472 3.761 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2cnc(Br)cn2)cc1 ZINC000774276901 911573255 /nfs/dbraw/zinc/57/32/55/911573255.db2.gz XLLXJJIXNNHMJM-UHFFFAOYSA-N 0 0 385.265 3.577 20 10 GHCDRN C[C@@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000774259990 911577086 /nfs/dbraw/zinc/57/70/86/911577086.db2.gz LZJPRONRJFCTKC-SNVBAGLBSA-N 0 0 386.300 3.880 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000774308478 911639219 /nfs/dbraw/zinc/63/92/19/911639219.db2.gz KBTFIBXZDCQSPN-HXUWFJFHSA-N 0 0 387.524 3.504 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](c1ccccc1)C(C)C ZINC000774382439 911691377 /nfs/dbraw/zinc/69/13/77/911691377.db2.gz RZBTYPMAQZOEHE-NRFANRHFSA-N 0 0 381.520 3.615 20 10 GHCDRN C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)c1ccc(F)cc1[O-] ZINC000774506762 911831870 /nfs/dbraw/zinc/83/18/70/911831870.db2.gz CCPKLQWWUGULQX-BDJLRTHQSA-N 0 0 393.256 3.750 20 10 GHCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)C(=O)c1ccc(Cl)cc1 ZINC001182898615 912126252 /nfs/dbraw/zinc/12/62/52/912126252.db2.gz RTWVHRNPPIXEMJ-UHFFFAOYSA-N 0 0 375.211 3.746 20 10 GHCDRN CN(Cc1cc(C(C)(C)C)cc(O)c1O)[C@H]1CCN(c2ccccc2F)C1=O ZINC000303503936 914879002 /nfs/dbraw/zinc/87/90/02/914879002.db2.gz MWAHTCCNYFFUNN-SFHVURJKSA-N 0 0 386.467 3.772 20 10 GHCDRN COc1c([O-])c(C[NH2+][C@H]2C[C@H](OCc3ccccc3)C2(C)C)ccc1[N+](=O)[O-] ZINC000775069516 914950023 /nfs/dbraw/zinc/95/00/23/914950023.db2.gz FDSFSITWBUBTHW-ROUUACIJSA-N 0 0 386.448 3.783 20 10 GHCDRN CCOC(=O)[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000775083493 915012907 /nfs/dbraw/zinc/01/29/07/915012907.db2.gz ISJTWHXEHVTBJY-OAQYLSRUSA-N 0 0 397.475 3.979 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2c3ccccc3CC23CCOCC3)cc1 ZINC000291160123 915013159 /nfs/dbraw/zinc/01/31/59/915013159.db2.gz KGBCJKFSUDYNBQ-JOCHJYFZSA-N 0 0 393.531 3.988 20 10 GHCDRN Cc1cc(C(=O)NCCC(=O)Nc2ccccc2)c(C)n1-c1ccc(F)cc1 ZINC000303668199 915039999 /nfs/dbraw/zinc/03/99/99/915039999.db2.gz ZVYSYSLWWCTYHH-UHFFFAOYSA-N 0 0 379.435 3.992 20 10 GHCDRN CCc1c(NCc2ccc([N+](=O)[O-])c(OC)c2O)cnn1-c1cccc(C)c1 ZINC000775115930 915193365 /nfs/dbraw/zinc/19/33/65/915193365.db2.gz PJBOONRNFZKSRI-UHFFFAOYSA-N 0 0 382.420 3.978 20 10 GHCDRN CCOc1cccc(CNc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)c1O ZINC000796383330 915351842 /nfs/dbraw/zinc/35/18/42/915351842.db2.gz OKVMXUDGEZUZSI-UHFFFAOYSA-N 0 0 392.521 3.742 20 10 GHCDRN COC(=O)/C=C\c1ccc(N2CC[C@@H]3CC[C@@]32c2cccnc2)c([N+](=O)[O-])c1 ZINC001187746976 915498934 /nfs/dbraw/zinc/49/89/34/915498934.db2.gz OVLLUEKRLYXKDO-YSRYGZLRSA-N 0 0 379.416 3.692 20 10 GHCDRN C[C@@H](C[C@H](C)[NH2+]Cc1cccc(Br)c1[O-])NC(=O)OC(C)(C)C ZINC000775153894 915609953 /nfs/dbraw/zinc/60/99/53/915609953.db2.gz VTIYKKBXTQOHGB-RYUDHWBXSA-N 0 0 387.318 3.936 20 10 GHCDRN C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000775153890 915610093 /nfs/dbraw/zinc/61/00/93/915610093.db2.gz VTIYKKBXTQOHGB-NEPJUHHUSA-N 0 0 387.318 3.936 20 10 GHCDRN Cc1cc(C(=O)Cn2nnc(-c3ccccc3)n2)c(C)n1-c1cccc(F)c1 ZINC001188021402 915713149 /nfs/dbraw/zinc/71/31/49/915713149.db2.gz IRYNCKACLNRBTR-UHFFFAOYSA-N 0 0 375.407 3.770 20 10 GHCDRN CC(C)(C)OC(=O)c1cccc(NCc2ccc(N3CCC(CO)CC3)cc2)n1 ZINC000292677331 915792490 /nfs/dbraw/zinc/79/24/90/915792490.db2.gz FALNBMYWYCOSCJ-UHFFFAOYSA-N 0 0 397.519 3.858 20 10 GHCDRN c1cc(Sc2ccccn2)oc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000293053179 915976225 /nfs/dbraw/zinc/97/62/25/915976225.db2.gz SEKBKSGHKDHMTK-UHFFFAOYSA-N 0 0 381.501 3.952 20 10 GHCDRN Cn1ccnc1C(=O)CSc1ncc(-c2ccccc2)n1CC(F)(F)F ZINC001188691835 916115990 /nfs/dbraw/zinc/11/59/90/916115990.db2.gz ACFNDOPVEJPUNH-UHFFFAOYSA-N 0 0 380.395 3.821 20 10 GHCDRN Cc1ccc(C)c(SCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000098093642 916190122 /nfs/dbraw/zinc/19/01/22/916190122.db2.gz NIOXURQEMYHYMY-UHFFFAOYSA-N 0 0 398.572 3.921 20 10 GHCDRN Cc1[nH]c2c(cccc2C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1C ZINC000098093776 916191703 /nfs/dbraw/zinc/19/17/03/916191703.db2.gz SFYHQYJXNMVUFG-UHFFFAOYSA-N 0 0 391.515 3.923 20 10 GHCDRN CC(=O)Oc1cccc(C(=O)n2c(=N)ccc(/N=N/c3ccccc3)c2N)c1C ZINC001189388029 916584687 /nfs/dbraw/zinc/58/46/87/916584687.db2.gz KIMOHZNLDURCHA-GXXUPKGOSA-N 0 0 389.415 3.887 20 10 GHCDRN Cc1ccc(-c2nnc(CN[C@@H](C)c3ccc(N4CCOCC4)cc3)o2)cc1 ZINC000775259362 916702322 /nfs/dbraw/zinc/70/23/22/916702322.db2.gz IHEGNDCFZNYHGO-KRWDZBQOSA-N 0 0 378.476 3.732 20 10 GHCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)c1c[nH]nc1-c1ccccc1 ZINC001189697510 916839507 /nfs/dbraw/zinc/83/95/07/916839507.db2.gz CYDRYUIYODHDEH-UHFFFAOYSA-N 0 0 378.819 3.914 20 10 GHCDRN CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)C=Cc1cncc(O)c1)CC2 ZINC000775295411 916846189 /nfs/dbraw/zinc/84/61/89/916846189.db2.gz JAQNAZDUPPYIFJ-FPLPWBNLSA-N 0 0 381.432 3.737 20 10 GHCDRN Cc1cc(C)c(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c(O)c1 ZINC001190338878 917270049 /nfs/dbraw/zinc/27/00/49/917270049.db2.gz VTFBVOPVIVQILD-UHFFFAOYSA-N 0 0 377.359 3.645 20 10 GHCDRN O=S(=O)(NCc1ccc(Br)cc1O)c1ccc(C2CC2)cc1 ZINC001190526293 917383717 /nfs/dbraw/zinc/38/37/17/917383717.db2.gz YSFCKSDZRAOXIK-UHFFFAOYSA-N 0 0 382.279 3.511 20 10 GHCDRN C[C@@H](NC(=O)C1(NC(=O)OC(C)(C)C)CCCC1)c1ccc(N(C)C)cc1 ZINC000775402000 917456141 /nfs/dbraw/zinc/45/61/41/917456141.db2.gz AJALNCUBNCONFT-OAHLLOKOSA-N 0 0 375.513 3.767 20 10 GHCDRN C[C@@H](NC(=O)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000775402443 917481863 /nfs/dbraw/zinc/48/18/63/917481863.db2.gz AXRNXJMKACHNDJ-ZHRRBRCNSA-N 0 0 389.540 3.967 20 10 GHCDRN C[C@H]1CC[C@@H](c2nnc(N(C)Cc3ccccc3O)n2Cc2cccs2)O1 ZINC000295918525 917607032 /nfs/dbraw/zinc/60/70/32/917607032.db2.gz HQEFEFNVMSUQQC-KSSFIOAISA-N 0 0 384.505 3.970 20 10 GHCDRN Cc1noc(NC(=O)c2cccc(N=Nc3ccc(N(C)C)cc3)c2)c1C(N)=O ZINC001190964702 917669197 /nfs/dbraw/zinc/66/91/97/917669197.db2.gz RUPIPSSOVGFWDP-UHFFFAOYSA-N 0 0 392.419 3.816 20 10 GHCDRN O=c1ccccn1CCN(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 ZINC001191582103 918059885 /nfs/dbraw/zinc/05/98/85/918059885.db2.gz LTYZIKFCMQFBGY-RMKNXTFCSA-N 0 0 388.467 3.840 20 10 GHCDRN Cc1nc(C(=O)NCc2cc(Cl)c3cccnc3c2O)c(Br)o1 ZINC001191635815 918086805 /nfs/dbraw/zinc/08/68/05/918086805.db2.gz HNGMXMYAPQIYSJ-UHFFFAOYSA-N 0 0 396.628 3.583 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000363454058 918277421 /nfs/dbraw/zinc/27/74/21/918277421.db2.gz IAKPNMWUZFAHBE-UHFFFAOYSA-N 0 0 391.374 3.595 20 10 GHCDRN COc1ccc(N(C)CC(=O)NCCCOc2cccc(C)c2)cc1Cl ZINC001191891850 918283824 /nfs/dbraw/zinc/28/38/24/918283824.db2.gz OZDIDGVTSHNDDM-UHFFFAOYSA-N 0 0 376.884 3.679 20 10 GHCDRN CCOc1ccc(N(CC)CC(=O)N[C@@H](C)Cc2c(F)cccc2F)cc1 ZINC001192013330 918359216 /nfs/dbraw/zinc/35/92/16/918359216.db2.gz MABMVWILDZKFHI-HNNXBMFYSA-N 0 0 376.447 3.937 20 10 GHCDRN CN(C)c1ccc(CNC(=O)CN(C)Cc2cccc(Cl)c2Cl)cc1 ZINC000007215544 918879980 /nfs/dbraw/zinc/87/99/80/918879980.db2.gz WZPOFPHNFNRSCR-UHFFFAOYSA-N 0 0 380.319 3.808 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)cc1 ZINC000796614335 919022465 /nfs/dbraw/zinc/02/24/65/919022465.db2.gz DDMQOLNDERLQFP-GOSISDBHSA-N 0 0 396.318 3.982 20 10 GHCDRN COC[C@@]1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])CCCN1C(=O)OC(C)(C)C ZINC000380644355 919306295 /nfs/dbraw/zinc/30/62/95/919306295.db2.gz XNQSFWAVSXVJKF-VLIAUNLRSA-N 0 0 382.476 3.598 20 10 GHCDRN Cc1cc(C(=O)COC(=O)C2=COCCO2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000007655634 919650709 /nfs/dbraw/zinc/65/07/09/919650709.db2.gz WHBYGWPYKDBNGN-UHFFFAOYSA-N 0 0 393.798 3.501 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N(C)C[C@H]3CCC[C@H]3O)cc2Cl)C1 ZINC000800720685 920392464 /nfs/dbraw/zinc/39/24/64/920392464.db2.gz VOYPZDGTSWYPLW-WRWLIDTKSA-N 0 0 393.959 3.879 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@H](O)c3ccco3)cc2Cl)C1 ZINC000800720092 920393290 /nfs/dbraw/zinc/39/32/90/920393290.db2.gz QKZSKRMDVKNIHR-KDOFPFPSSA-N 0 0 391.899 3.702 20 10 GHCDRN Cc1ccc(C2=NO[C@H](CNC(=O)NCc3c(O)ccc4c3CCCC4)C2)cc1 ZINC000800753983 920426556 /nfs/dbraw/zinc/42/65/56/920426556.db2.gz OEAUGZBNGHLWFH-SFHVURJKSA-N 0 0 393.487 3.572 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)CCc2nnc(-c3ccccc3)o2)C2CC2)cc1 ZINC000298362034 920447061 /nfs/dbraw/zinc/44/70/61/920447061.db2.gz JLAYBBRXUFCRMP-UHFFFAOYSA-N 0 0 390.487 3.926 20 10 GHCDRN O=C(NC1(c2cccc(F)c2)CCOCC1)c1cc2cc(O)c(O)cc2s1 ZINC000900880438 920682459 /nfs/dbraw/zinc/68/24/59/920682459.db2.gz FIEMOTSOIJFWRF-UHFFFAOYSA-N 0 0 387.432 3.887 20 10 GHCDRN COc1ccc(OC)c(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000298673200 920791695 /nfs/dbraw/zinc/79/16/95/920791695.db2.gz PVGXTKPXOUIVSQ-KRWDZBQOSA-N 0 0 386.448 3.623 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(NCc2nccn2C)cc1 ZINC000901052879 920815227 /nfs/dbraw/zinc/81/52/27/920815227.db2.gz MGISMLPFZGOTQK-UHFFFAOYSA-N 0 0 378.476 3.790 20 10 GHCDRN Cc1cc(CC(=O)OCc2ncnn2CCF)c(C)n1-c1ccc(Cl)cc1 ZINC000801214827 920845481 /nfs/dbraw/zinc/84/54/81/920845481.db2.gz VNFXSPJUCNJKQN-UHFFFAOYSA-N 0 0 390.846 3.594 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)c1nnc2n1CCCCC2 ZINC000802116740 921835721 /nfs/dbraw/zinc/83/57/21/921835721.db2.gz OVGAIAVYOXFTLJ-MRXNPFEDSA-N 0 0 385.512 3.783 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000802142141 921857715 /nfs/dbraw/zinc/85/77/15/921857715.db2.gz WUEVVXKLDWWLPV-LJQANCHMSA-N 0 0 381.476 3.509 20 10 GHCDRN Cc1cc(C(=O)Cn2cnc3cc(F)ccc3c2=O)c(C)n1-c1ccc(F)cc1 ZINC000008485620 921879038 /nfs/dbraw/zinc/87/90/38/921879038.db2.gz NWABCOZGHLFIGQ-UHFFFAOYSA-N 0 0 393.393 3.965 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)NCCC(=O)OC1CCCCC1 ZINC000802451835 922119234 /nfs/dbraw/zinc/11/92/34/922119234.db2.gz MVBMDBBAAILRLV-UHFFFAOYSA-N 0 0 376.497 3.970 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC(=O)OC1CCCCC1 ZINC000802459148 922126342 /nfs/dbraw/zinc/12/63/42/922126342.db2.gz 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Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000799150163 932889202 /nfs/dbraw/zinc/88/92/02/932889202.db2.gz LOJIINUDDUIQRO-FQEVSTJZSA-N 0 0 391.471 3.790 20 10 GHCDRN C[C@@H](NC(=O)C(=O)Nc1ccccc1NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000799260237 932935975 /nfs/dbraw/zinc/93/59/75/932935975.db2.gz RLBHOJUXLNWHKI-OAHLLOKOSA-N 0 0 382.508 3.779 20 10 GHCDRN C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cncc(F)c1)c1ccc(N)cc1 ZINC000799261159 932936050 /nfs/dbraw/zinc/93/60/50/932936050.db2.gz PFOAPIISSPQWFG-CQSZACIVSA-N 0 0 378.407 3.536 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@]2(CO)CCCc3ccccc32)c1 ZINC000799343529 932959240 /nfs/dbraw/zinc/95/92/40/932959240.db2.gz IEMRVFYLADVHIN-LJQANCHMSA-N 0 0 376.294 3.777 20 10 GHCDRN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1cnc(-c2ccco2)s1 ZINC000559939429 932973550 /nfs/dbraw/zinc/97/35/50/932973550.db2.gz LIZKPPAKBGEWRY-FLIBITNWSA-N 0 0 392.396 3.966 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H](c2ncccn2)C2CC2)cc1 ZINC000928578637 933025698 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GHCDRN COC(=O)CN(CC/C=C/c1cncc(OC)c1)Cc1cc(Cl)ccc1O ZINC000828062934 935571638 /nfs/dbraw/zinc/57/16/38/935571638.db2.gz VNCYOUPGYUPPNX-HWKANZROSA-N 0 0 390.867 3.528 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1c(F)ccc2ccncc21 ZINC000828156881 935587336 /nfs/dbraw/zinc/58/73/36/935587336.db2.gz URAPECIGJFPNFK-UHFFFAOYSA-N 0 0 393.462 3.513 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)NC(C)(C)C(=O)NCC(C)(C)C)c2C)cc1 ZINC001137650696 935671070 /nfs/dbraw/zinc/67/10/70/935671070.db2.gz NIFYXAXOLCWZDJ-UHFFFAOYSA-N 0 0 399.535 3.773 20 10 GHCDRN C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001137725525 935751233 /nfs/dbraw/zinc/75/12/33/935751233.db2.gz VLLHZTCQDQCEQW-HZMBPMFUSA-N 0 0 375.421 3.694 20 10 GHCDRN C[C@H](CSc1ncc(-c2ccccc2)n1CC(F)(F)F)S(C)(=O)=O ZINC000829121870 935770084 /nfs/dbraw/zinc/77/00/84/935770084.db2.gz YGWJBKVJVIFQRD-LLVKDONJSA-N 0 0 378.441 3.638 20 10 GHCDRN COC1CCN(c2ccc(CN3CCO[C@@H](COc4ccccc4)C3)cc2)CC1 ZINC000829171236 935776445 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387.293 3.737 20 10 GHCDRN C[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cc(Br)cc(Cl)c1[O-] ZINC000756381922 1023620883 /nfs/dbraw/zinc/62/08/83/1023620883.db2.gz OTPLEGWPAHBEPW-OTYXRUKQSA-N 0 0 383.673 3.685 20 10 GHCDRN Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1[O-])C2 ZINC000756395078 1023626846 /nfs/dbraw/zinc/62/68/46/1023626846.db2.gz GPSIYLNKEUQLKZ-BXKDBHETSA-N 0 0 380.261 3.600 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000756423990 1023640952 /nfs/dbraw/zinc/64/09/52/1023640952.db2.gz QJUZZPBFOSBAES-HNNXBMFYSA-N 0 0 386.467 3.633 20 10 GHCDRN C[C@H]([NH2+]CCOc1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756480764 1023678156 /nfs/dbraw/zinc/67/81/56/1023678156.db2.gz ZLRVUMSEQTVBLQ-NSHDSACASA-N 0 0 381.226 3.793 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cc(OC)ccc2Br)c1 ZINC000756489080 1023682413 /nfs/dbraw/zinc/68/24/13/1023682413.db2.gz FQQAJDVLCVOUAR-LLVKDONJSA-N 0 0 394.265 3.801 20 10 GHCDRN C[C@H]([NH2+]CCOC[C@H]1CCOC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756563837 1023714541 /nfs/dbraw/zinc/71/45/41/1023714541.db2.gz OHYQUJFTLZYGLP-QWRGUYRKSA-N 0 0 378.694 3.512 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCCCN(C(=O)OC(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756570855 1023716568 /nfs/dbraw/zinc/71/65/68/1023716568.db2.gz BTKRGWIWPYOPLQ-KBPBESRZSA-N 0 0 379.457 3.741 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756587840 1023723624 /nfs/dbraw/zinc/72/36/24/1023723624.db2.gz CVADKFODDYQJPY-STQMWFEESA-N 0 0 393.390 3.831 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCN(c3cccc(OC)c3)C2)c1 ZINC000756588391 1023723837 /nfs/dbraw/zinc/72/38/37/1023723837.db2.gz GWYQIPJGLUDCPL-WBVHZDCISA-N 0 0 384.476 3.507 20 10 GHCDRN C[C@H]([NH2+]CCCOC[C@@H]1CCOC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756604629 1023734252 /nfs/dbraw/zinc/73/42/52/1023734252.db2.gz MXNYBZAJWJZNBB-RYUDHWBXSA-N 0 0 392.721 3.902 20 10 GHCDRN C[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756638840 1023748617 /nfs/dbraw/zinc/74/86/17/1023748617.db2.gz SHNYAZYSEUXECP-LBPRGKRZSA-N 0 0 375.391 3.615 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cc(OC)ccc2OC(F)F)c1 ZINC000756649395 1023753917 /nfs/dbraw/zinc/75/39/17/1023753917.db2.gz GQPRLNOAHCZICK-NSHDSACASA-N 0 0 381.375 3.640 20 10 GHCDRN C[C@H]([NH2+]C[C@H](CO)Cc1ccco1)c1cc(Br)cc(Cl)c1[O-] ZINC000756662231 1023761308 /nfs/dbraw/zinc/76/13/08/1023761308.db2.gz ZAESFPLTCDOMJG-WDEREUQCSA-N 0 0 388.689 3.903 20 10 GHCDRN CC(C)CSCCCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000756750359 1023798702 /nfs/dbraw/zinc/79/87/02/1023798702.db2.gz YVVUPTRQHOTPFE-SFHVURJKSA-N 0 0 380.554 3.862 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1cc(Br)c(F)cc1[O-] ZINC000756757090 1023802844 /nfs/dbraw/zinc/80/28/44/1023802844.db2.gz BRMGPQQLNLTSGY-MMPTUQATSA-N 0 0 390.318 3.999 20 10 GHCDRN Cc1cc(C(=O)COC(=O)CCc2nnc[nH]2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000756766086 1023806216 /nfs/dbraw/zinc/80/62/16/1023806216.db2.gz IQUANKIWMVIWBG-UHFFFAOYSA-N 0 0 394.475 3.694 20 10 GHCDRN C[C@H]([NH2+][C@H](CO)CC(F)(F)F)c1cc(Br)cc(Cl)c1[O-] ZINC000756774988 1023810258 /nfs/dbraw/zinc/81/02/58/1023810258.db2.gz FSSZWMDGSSELRH-XPUUQOCRSA-N 0 0 376.600 3.772 20 10 GHCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(OC)c(N3CCCCC3=O)c2)c1 ZINC000756817845 1023826173 /nfs/dbraw/zinc/82/61/73/1023826173.db2.gz CVFFOBQHGLOFIC-CQSZACIVSA-N 0 0 398.459 3.877 20 10 GHCDRN CC[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000756925011 1023868885 /nfs/dbraw/zinc/86/88/85/1023868885.db2.gz ZHMHMUBZNBVGFT-RDTXWAMCSA-N 0 0 399.457 3.920 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Cc2ccn(-c3ccccc3)n2)cc1F ZINC000756934315 1023874412 /nfs/dbraw/zinc/87/44/12/1023874412.db2.gz QYLYKHLXCXFDIE-UHFFFAOYSA-N 0 0 380.467 3.717 20 10 GHCDRN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NCc1c(O)ccc2c1CCCC2 ZINC000756966614 1023889521 /nfs/dbraw/zinc/88/95/21/1023889521.db2.gz CFLRAOIBBQPWCK-UHFFFAOYSA-N 0 0 389.839 3.832 20 10 GHCDRN CC(C)Cc1c[nH]c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC001626159134 1023932237 /nfs/dbraw/zinc/93/22/37/1023932237.db2.gz RVZKANKOXYBLLL-HOTGVXAUSA-N 0 0 387.499 3.896 20 10 GHCDRN Cc1cnc([C@@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C2CC2)s1 ZINC000830526725 1023968533 /nfs/dbraw/zinc/96/85/33/1023968533.db2.gz QHKRJXSMAKJKST-KRWDZBQOSA-N 0 0 384.530 3.962 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c(C)n1-c1ccc(F)cc1 ZINC000837036658 1023970778 /nfs/dbraw/zinc/97/07/78/1023970778.db2.gz IKVUGTDQUUCZPA-CXAGYDPISA-N 0 0 384.373 3.619 20 10 GHCDRN Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1N ZINC000830665391 1024055069 /nfs/dbraw/zinc/05/50/69/1024055069.db2.gz WIFWBFKJJQIDAQ-OAHLLOKOSA-N 0 0 375.419 3.577 20 10 GHCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001138126918 1024173716 /nfs/dbraw/zinc/17/37/16/1024173716.db2.gz MQBWRTBLPPGXTO-RXVVDRJESA-N 0 0 390.430 3.516 20 10 GHCDRN COCCC[N@H+](Cc1cccc(F)c1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001138128550 1024177490 /nfs/dbraw/zinc/17/74/90/1024177490.db2.gz QSJDAOZVHNEVDZ-UHFFFAOYSA-N 0 0 396.503 3.769 20 10 GHCDRN Cc1c(Br)ccc(F)c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001138153099 1024248784 /nfs/dbraw/zinc/24/87/84/1024248784.db2.gz XVALMPMKMURIPY-VIFPVBQESA-N 0 0 382.229 3.669 20 10 GHCDRN CC(C)Oc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(Cl)c1 ZINC000837359314 1024377296 /nfs/dbraw/zinc/37/72/96/1024377296.db2.gz INIDRCXPTGHNJT-UHFFFAOYSA-N 0 0 388.895 3.894 20 10 GHCDRN C[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)Cc2nnc(C(F)(F)F)n21 ZINC001138222195 1024399529 /nfs/dbraw/zinc/39/95/29/1024399529.db2.gz LDLVNVTUCPHUKB-AWEZNQCLSA-N 0 0 379.430 3.864 20 10 GHCDRN C[C@@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)C1CCC1 ZINC000837440229 1024459223 /nfs/dbraw/zinc/45/92/23/1024459223.db2.gz KMEIMNLDNMEWTC-BEFAXECRSA-N 0 0 389.540 3.871 20 10 GHCDRN Cc1cc(C(=O)COC(=O)CC2(O)CCCC2)c(C)n1-c1ccc(Cl)cn1 ZINC000837532732 1024531774 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GHCDRN CCOC(=O)[C@H](CC(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1)C(C)=O ZINC000831707085 1024768025 /nfs/dbraw/zinc/76/80/25/1024768025.db2.gz VNRAWBWHTODYFZ-OXQOHEQNSA-N 0 0 397.471 3.640 20 10 GHCDRN CC[C@H](CNc1ccccc1)NC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000838190824 1024985842 /nfs/dbraw/zinc/98/58/42/1024985842.db2.gz LXTXRILWDXHFGU-GOSISDBHSA-N 0 0 396.535 3.854 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NC3(Cc4ccc(F)cc4)CC3)CC2)cc1 ZINC000838190343 1024985871 /nfs/dbraw/zinc/98/58/71/1024985871.db2.gz CUCRNSXFUVIMBY-UHFFFAOYSA-N 0 0 397.494 3.878 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NC3CCC(CSC)CC3)CC2)cc1 ZINC000838191104 1024986201 /nfs/dbraw/zinc/98/62/01/1024986201.db2.gz RQVAUDVKCVCCEM-UHFFFAOYSA-N 0 0 391.581 3.885 20 10 GHCDRN CCOC1(CNC(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)CCCC1 ZINC001141420207 1024986703 /nfs/dbraw/zinc/98/67/03/1024986703.db2.gz SOUQQYRRDIZKSI-UHFFFAOYSA-N 0 0 382.504 3.915 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@H](C)c2cncnc2)c(C)n1-c1ccccc1C ZINC000838383251 1025103983 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GHCDRN Nc1ccc(CCNC(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)cc1 ZINC000841742940 1028905475 /nfs/dbraw/zinc/90/54/75/1028905475.db2.gz ATAQHASNXGRHBG-UHFFFAOYSA-N 0 0 394.519 3.830 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NCc3ccc4c(c3)CCCN4)CC2)cc1 ZINC000841779374 1028932507 /nfs/dbraw/zinc/93/25/07/1028932507.db2.gz QYTKQYFBUYGGLR-UHFFFAOYSA-N 0 0 394.519 3.522 20 10 GHCDRN CCOC(=O)c1snnc1-c1nc(-c2ccc(C)c(C(F)(F)F)c2)no1 ZINC001214859759 1028941431 /nfs/dbraw/zinc/94/14/31/1028941431.db2.gz WBENLWSESVFXJV-UHFFFAOYSA-N 0 0 384.339 3.759 20 10 GHCDRN C[C@]1(C(=O)[O-])CCCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841804921 1028951607 /nfs/dbraw/zinc/95/16/07/1028951607.db2.gz UIBCGHIEBKZHGW-ICSRJNTNSA-N 0 0 375.469 3.708 20 10 GHCDRN COc1ccc(C[NH2+][C@H](Cc2ccc(Br)cc2)C(=O)[O-])cc1C ZINC000841809199 1028957735 /nfs/dbraw/zinc/95/77/35/1028957735.db2.gz UPJIOXDYKZGMHH-MRXNPFEDSA-N 0 0 378.266 3.552 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1ccc(N)cc1 ZINC000841957422 1029012817 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C[C@@H]1CN(c2ccc(NC(=O)N(C)Cc3ccccc3O)cc2F)C[C@H](C)O1 ZINC000047552023 845024638 /nfs/dbraw/zinc/02/46/38/845024638.db2.gz VQGLEIJUSWQAAL-GASCZTMLSA-N 0 0 387.455 3.809 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)NC[C@@H]2CCOc3ccccc32)C2CC2)cc1 ZINC000731285534 861541398 /nfs/dbraw/zinc/54/13/98/861541398.db2.gz ZOFCCPDHXOMHEI-SFHVURJKSA-N 0 0 379.504 3.993 20 10 GHCDRN C[C@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1F ZINC000731322690 861563486 /nfs/dbraw/zinc/56/34/86/861563486.db2.gz AOUBKZUQSGUYKQ-OAGGEKHMSA-N 0 0 388.458 3.998 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCCc2nnc3n2CCCCC3)cc1 ZINC000067176386 845479097 /nfs/dbraw/zinc/47/90/97/845479097.db2.gz SKRMEVAIRQUKSG-UHFFFAOYSA-N 0 0 391.519 3.775 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C[C@@H](NC(C)=O)c2ccc(C)cc2)cc1F ZINC000731345719 861580080 /nfs/dbraw/zinc/58/00/80/861580080.db2.gz HFMDPDJSTNDIOV-OAQYLSRUSA-N 0 0 399.510 3.864 20 10 GHCDRN COCCOc1cc(C)ccc1CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000472050901 845604571 /nfs/dbraw/zinc/60/45/71/845604571.db2.gz CLBLATSWWNRCKK-UHFFFAOYSA-N 0 0 395.503 3.820 20 10 GHCDRN CNC(=O)c1ccccc1N(C)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000894126239 845618682 /nfs/dbraw/zinc/61/86/82/845618682.db2.gz MNSHJIJXLKHMAG-UHFFFAOYSA-N 0 0 393.487 3.541 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1F ZINC000731398550 861610567 /nfs/dbraw/zinc/61/05/67/861610567.db2.gz NVBNFAZUCLKLAT-UHFFFAOYSA-N 0 0 398.482 3.886 20 10 GHCDRN CC[C@H]([NH2+]Cc1ccccc1N1CCN(C(C)=O)CC1)c1ccc(C)cc1O ZINC000280227115 846337989 /nfs/dbraw/zinc/33/79/89/846337989.db2.gz VBTLSGHHXALEPJ-NRFANRHFSA-N 0 0 381.520 3.610 20 10 GHCDRN CCC[C@@H](NC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000015571933 846521630 /nfs/dbraw/zinc/52/16/30/846521630.db2.gz DVFHYVPCQRYJHT-HSZRJFAPSA-N 0 0 395.547 3.613 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3cccnc3C(F)(F)F)CC2)cc1 ZINC000120040460 846779077 /nfs/dbraw/zinc/77/90/77/846779077.db2.gz OWQGHCSABFCHAS-UHFFFAOYSA-N 0 0 379.382 3.508 20 10 GHCDRN COc1ccc(N2CCN([C@H](C)c3nc4sc(C)c(C)c4c(N)n3)CC2)cc1 ZINC000127464843 846953415 /nfs/dbraw/zinc/95/34/15/846953415.db2.gz SKIBNHLAHFDVGS-CQSZACIVSA-N 0 0 397.548 3.782 20 10 GHCDRN COc1ncc(/C=C/C(=O)N2C[C@H](C)CSc3ccc(Cl)cc32)cn1 ZINC001268941329 847057317 /nfs/dbraw/zinc/05/73/17/847057317.db2.gz OEDMOJXTUJSQBA-UXONFWTHSA-N 0 0 375.881 3.927 20 10 GHCDRN CC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108296221 847192486 /nfs/dbraw/zinc/19/24/86/847192486.db2.gz PSCFRASULKQSMX-QHCPKHFHSA-N 0 0 391.515 3.517 20 10 GHCDRN CCOc1c(Cl)cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1OC ZINC000273160461 847262590 /nfs/dbraw/zinc/26/25/90/847262590.db2.gz KHBWCXRLSPPLSA-LLVKDONJSA-N 0 0 379.840 3.520 20 10 GHCDRN Cc1ccc(/C=C/CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000176679183 847445229 /nfs/dbraw/zinc/44/52/29/847445229.db2.gz SAKKGXHLHFFBMU-NSCUHMNNSA-N 0 0 382.479 3.815 20 10 GHCDRN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NCc1c(C)c2ccccc2n1C ZINC000472230659 847507930 /nfs/dbraw/zinc/50/79/30/847507930.db2.gz DBUAWRSFULQYMS-IBGZPJMESA-N 0 0 379.508 3.884 20 10 GHCDRN COc1ccc(OCCN(C)C(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000472235465 847820980 /nfs/dbraw/zinc/82/09/80/847820980.db2.gz AHJLGHDZBXLADD-UHFFFAOYSA-N 0 0 381.476 3.716 20 10 GHCDRN COCCO[C@H]1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000588541076 848076182 /nfs/dbraw/zinc/07/61/82/848076182.db2.gz WSNZRTOTXSJLAF-FQEVSTJZSA-N 0 0 382.464 3.778 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCO1 ZINC000291893985 848129427 /nfs/dbraw/zinc/12/94/27/848129427.db2.gz MNUIYCRQOVSZJL-MRXNPFEDSA-N 0 0 399.882 3.515 20 10 GHCDRN CCO[C@@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C12CCCC2 ZINC000761365009 861883825 /nfs/dbraw/zinc/88/38/25/861883825.db2.gz VPFCKOURUKIGRY-IAGOWNOFSA-N 0 0 392.883 3.548 20 10 GHCDRN C[C@@H](NC(=O)CCn1ccc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000065599300 848314710 /nfs/dbraw/zinc/31/47/10/848314710.db2.gz FBNTWYWBGQEQRB-GOSISDBHSA-N 0 0 377.488 3.745 20 10 GHCDRN CC(C)c1nc(CCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cs1 ZINC000277988288 848753103 /nfs/dbraw/zinc/75/31/03/848753103.db2.gz SVVUOLNXCXKUIB-UHFFFAOYSA-N 0 0 393.896 3.632 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccccc1Oc1cccnc1 ZINC000052027168 848815057 /nfs/dbraw/zinc/81/50/57/848815057.db2.gz ZIKADWHSKYGZNK-UHFFFAOYSA-N 0 0 389.455 3.641 20 10 GHCDRN CC(C)c1cccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000122008560 848827700 /nfs/dbraw/zinc/82/77/00/848827700.db2.gz BNEDBNWXDNXYMZ-UHFFFAOYSA-N 0 0 397.544 3.618 20 10 GHCDRN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000176756588 848878073 /nfs/dbraw/zinc/87/80/73/848878073.db2.gz HWTLLOCQSUXGMQ-CUWPLCDZSA-N 0 0 390.524 3.534 20 10 GHCDRN O=C(OCc1ccc(COC(=O)C2=CC(=O)CS2)cc1)C1=CC(=O)CS1 ZINC000731911972 861955942 /nfs/dbraw/zinc/95/59/42/861955942.db2.gz OYVIAYGFQDDFBN-UHFFFAOYSA-N 0 0 390.438 3.935 20 10 GHCDRN C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc(Br)cc(Br)c1[O-] ZINC000185830233 848995549 /nfs/dbraw/zinc/99/55/49/848995549.db2.gz GRMNWWJHIVBKDI-WCABBAIRSA-N 0 0 391.103 3.505 20 10 GHCDRN Cc1cc(C(=O)NCc2nccn2C)c(C)n1-c1cccc(Br)c1 ZINC000728545150 849074780 /nfs/dbraw/zinc/07/47/80/849074780.db2.gz PDIBUXRZVQXQBJ-UHFFFAOYSA-N 0 0 387.281 3.520 20 10 GHCDRN C[C@@H]1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C[C@@H]1C ZINC000161535425 849092231 /nfs/dbraw/zinc/09/22/31/849092231.db2.gz CKELBNVKIZTMBJ-CABCVRRESA-N 0 0 381.467 3.944 20 10 GHCDRN CC(=O)Nc1cc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)ccc1F ZINC000123909869 849225888 /nfs/dbraw/zinc/22/58/88/849225888.db2.gz BXNGHYRNEDHEMV-UHFFFAOYSA-N 0 0 380.441 3.722 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNc3cc(N4CCCCC4)ncn3)cc2F)C[C@@H](C)O1 ZINC000731978942 861993571 /nfs/dbraw/zinc/99/35/71/861993571.db2.gz DBTUBIQOHOYUBQ-IAGOWNOFSA-N 0 0 399.514 3.832 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@H]2CN2CCCC2=O)cc1 ZINC000732019010 862020722 /nfs/dbraw/zinc/02/07/22/862020722.db2.gz BWKYRFZBEVSJMC-NRFANRHFSA-N 0 0 379.504 3.711 20 10 GHCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(SC(C)(C)C)cc2)cc1 ZINC000171345464 862126846 /nfs/dbraw/zinc/12/68/46/862126846.db2.gz QPTWFRBYTNKSJD-UHFFFAOYSA-N 0 0 385.533 3.898 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000732279094 862172690 /nfs/dbraw/zinc/17/26/90/862172690.db2.gz WZCVZQDXIZPRTC-OAHLLOKOSA-N 0 0 380.510 3.705 20 10 GHCDRN COc1cccc([C@@H](O)CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1 ZINC000732293958 862195591 /nfs/dbraw/zinc/19/55/91/862195591.db2.gz CZYZNEVBHZEEQN-NRFANRHFSA-N 0 0 382.435 3.705 20 10 GHCDRN COC(=O)c1c(CNc2cccc3c2CCN3C(C)=O)c2cc(F)ccc2n1C ZINC000894476700 851433539 /nfs/dbraw/zinc/43/35/39/851433539.db2.gz YZDBVJJEPBVHEW-UHFFFAOYSA-N 0 0 395.434 3.625 20 10 GHCDRN NC(=O)C1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)cc2)CC1 ZINC000894593797 851770681 /nfs/dbraw/zinc/77/06/81/851770681.db2.gz XHNSMVKHBXMLIK-BVYCBKJFSA-N 0 0 397.563 3.611 20 10 GHCDRN CCC[C@H](C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccccc1 ZINC000894596634 851772436 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COC(=O)c1ncn(CC(=O)c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)n1 ZINC000732717926 862442838 /nfs/dbraw/zinc/44/28/38/862442838.db2.gz LNRHAEATCFIGGN-UHFFFAOYSA-N 0 0 394.475 3.653 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000151415521 853415557 /nfs/dbraw/zinc/41/55/57/853415557.db2.gz NRGGUPDLDGMQHT-INIZCTEOSA-N 0 0 389.446 3.871 20 10 GHCDRN CN(C(=O)NCc1ccc(N2CCOCC2)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000290862035 853495576 /nfs/dbraw/zinc/49/55/76/853495576.db2.gz BKAXDNCHBIRRBC-CALCHBBNSA-N 0 0 399.457 3.786 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)C[C@H](C)C(=O)c3ccccc3)CC2)cc1 ZINC000732758934 862477523 /nfs/dbraw/zinc/47/75/23/862477523.db2.gz UHOZOCVMJDRZSG-KRWDZBQOSA-N 0 0 380.488 3.689 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)C[C@@H](C)C(=O)c3ccccc3)CC2)cc1 ZINC000732758936 862478076 /nfs/dbraw/zinc/47/80/76/862478076.db2.gz UHOZOCVMJDRZSG-QGZVFWFLSA-N 0 0 380.488 3.689 20 10 GHCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C2CCC(O)(c3ccccc3)CC2)c1[O-] ZINC000760650160 853587712 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QDHNVTHWGWITJX-UHFFFAOYSA-N 0 0 399.560 3.645 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ncccc1C(F)(F)F ZINC001194550427 871785197 /nfs/dbraw/zinc/78/51/97/871785197.db2.gz AXJLDLHCNAZSBB-UHFFFAOYSA-N 0 0 399.438 3.521 20 10 GHCDRN CCN(CC(=O)NCCc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 ZINC000921061108 882556519 /nfs/dbraw/zinc/55/65/19/882556519.db2.gz OEVSCOYBNNJWPS-UHFFFAOYSA-N 0 0 376.884 3.542 20 10 GHCDRN COc1ccc(N(CC(=O)Nc2nnc(C(C)(C)C)s2)C(C)C)cc1F ZINC000766871202 871984670 /nfs/dbraw/zinc/98/46/70/871984670.db2.gz BBUJTRBWERTECP-UHFFFAOYSA-N 0 0 380.489 3.837 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC000115660767 882582325 /nfs/dbraw/zinc/58/23/25/882582325.db2.gz SQAILDPUCYGNGJ-UHFFFAOYSA-N 0 0 395.551 3.836 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](CO)c2cccc(F)c2)CCCC1 ZINC001152196301 872216901 /nfs/dbraw/zinc/21/69/01/872216901.db2.gz JMFSRWVRYWUKRU-FQEVSTJZSA-N 0 0 396.462 3.518 20 10 GHCDRN CCOC(=O)c1cc(NC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)n(C)n1 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GHCDRN C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@H](O)COc1ccccc1C(F)(F)F ZINC000775657679 872425054 /nfs/dbraw/zinc/42/50/54/872425054.db2.gz GFXGYDDRAXYZKI-ZDUSSCGKSA-N 0 0 389.801 3.936 20 10 GHCDRN COc1ccccc1OC[C@@H](C)CNC(=O)NCc1ccc(N(C)C)cc1C ZINC000763544893 872512802 /nfs/dbraw/zinc/51/28/02/872512802.db2.gz SDSBHHZCEQRNAG-INIZCTEOSA-N 0 0 385.508 3.584 20 10 GHCDRN COC1CCN(c2ccc(CN3Cc4ccccc4NC(=O)[C@@H]3C)cc2)CC1 ZINC000857920955 882638816 /nfs/dbraw/zinc/63/88/16/882638816.db2.gz GRBWNJLGGQBZFG-KRWDZBQOSA-N 0 0 379.504 3.645 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@H](CC(N)=O)c2ccccc2)cc1 ZINC000794280072 882669481 /nfs/dbraw/zinc/66/94/81/882669481.db2.gz MISGVVAPVNDTRK-OAQYLSRUSA-N 0 0 375.472 3.783 20 10 GHCDRN COc1ccc(N2CCN(C(=O)NCc3c(C)oc4ccccc43)CC2)cc1F ZINC000767943572 872974142 /nfs/dbraw/zinc/97/41/42/872974142.db2.gz MKSBNHZPRVPDLY-UHFFFAOYSA-N 0 0 397.450 3.921 20 10 GHCDRN Cc1ccc(-c2cc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)[nH]n2)cc1 ZINC000767976193 872986722 /nfs/dbraw/zinc/98/67/22/872986722.db2.gz NDSXZGZOHAIJQZ-LJQANCHMSA-N 0 0 391.471 3.912 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(N2CCOCC2)cc1C ZINC000115755615 882674720 /nfs/dbraw/zinc/67/47/20/882674720.db2.gz QLSHEJQYXISNPK-UHFFFAOYSA-N 0 0 382.508 3.528 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000115755418 882674950 /nfs/dbraw/zinc/67/49/50/882674950.db2.gz SSOWALCLKWSZEB-OAQYLSRUSA-N 0 0 383.492 3.941 20 10 GHCDRN CCCc1c(C(=O)NCc2cccc(OC)c2O)cnn1-c1cccc(C)c1 ZINC000768080894 873073134 /nfs/dbraw/zinc/07/31/34/873073134.db2.gz NZBHIFNLUROQJZ-UHFFFAOYSA-N 0 0 379.460 3.777 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000794315075 882687095 /nfs/dbraw/zinc/68/70/95/882687095.db2.gz VQJYRLAMRJWMIZ-QHCPKHFHSA-N 0 0 382.504 3.813 20 10 GHCDRN Nc1ccc2c(c1NC(=O)c1cc3sccc3[nH]1)C(=O)c1ccccc1C2=O ZINC001152268158 873107825 /nfs/dbraw/zinc/10/78/25/873107825.db2.gz CSOYGCDOHBMFQP-UHFFFAOYSA-N 0 0 387.420 3.839 20 10 GHCDRN COc1cccc(CN2CCN([C@H](C)c3nc4ccccc4s3)CC2)c1O ZINC000768200068 873137414 /nfs/dbraw/zinc/13/74/14/873137414.db2.gz LTQXMESWHBYUDN-OAHLLOKOSA-N 0 0 383.517 3.889 20 10 GHCDRN COc1cc(C)c(C[N@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1OC ZINC000768196393 873162775 /nfs/dbraw/zinc/16/27/75/873162775.db2.gz CCFXWAUNBPXWEU-UHFFFAOYSA-N 0 0 380.828 3.911 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)Nc3ccc4c(c3)CCCN4C)CC2)cc1 ZINC000102534591 873255674 /nfs/dbraw/zinc/25/56/74/873255674.db2.gz CJKIUNKBJIFPNY-UHFFFAOYSA-N 0 0 394.519 3.868 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NCc3cc4ccccc4[nH]3)CC2)cc1 ZINC000102563709 873291711 /nfs/dbraw/zinc/29/17/11/873291711.db2.gz QMCFHPBAGYPQCM-UHFFFAOYSA-N 0 0 378.476 3.645 20 10 GHCDRN CCOc1ccc(O)c(CN2CCN(C(=O)c3cccc4ccccc43)CC2)c1 ZINC000768444382 873308240 /nfs/dbraw/zinc/30/82/40/873308240.db2.gz YAQLOTSJLTYXNI-UHFFFAOYSA-N 0 0 390.483 3.902 20 10 GHCDRN Cc1ccc(CN(C[C@@H](O)COC(C)C)c2ccc3c(c2)OCCO3)s1 ZINC000768540892 873373649 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CCC[C@H](NS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1)C(=O)OC ZINC001197187492 873621983 /nfs/dbraw/zinc/62/19/83/873621983.db2.gz GCFSTMBGDCEARO-NRTINQSCSA-N 0 0 375.450 3.722 20 10 GHCDRN Cc1cc(C)n(CCNS(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)n1 ZINC001197153398 873626899 /nfs/dbraw/zinc/62/68/99/873626899.db2.gz ATUXGFDZXXIVBF-QURGRASLSA-N 0 0 383.477 3.894 20 10 GHCDRN Cc1cc(C(=O)N[C@](C)(CO)C2CC2)c(C)n1-c1cccc(Br)c1 ZINC000768875292 873638188 /nfs/dbraw/zinc/63/81/88/873638188.db2.gz SNPMAUALFBHGBZ-LJQANCHMSA-N 0 0 391.309 3.747 20 10 GHCDRN COCC1(NS(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)CCOCC1 ZINC001197197024 873645576 /nfs/dbraw/zinc/64/55/76/873645576.db2.gz RAAXFVROLUJZFL-QZQOTICOSA-N 0 0 389.477 3.576 20 10 GHCDRN COc1ccc(CNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)c(O)c1 ZINC000794387681 882744967 /nfs/dbraw/zinc/74/49/67/882744967.db2.gz JJLKBEUSLIGKBD-UHFFFAOYSA-N 0 0 386.448 3.607 20 10 GHCDRN CCOc1ccc(Nc2ncccc2C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000768917375 873686440 /nfs/dbraw/zinc/68/64/40/873686440.db2.gz 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882796736 /nfs/dbraw/zinc/79/67/36/882796736.db2.gz MANARADGNIGCJY-KHMHUBCMSA-N 0 0 389.451 3.873 20 10 GHCDRN CCN(Cc1ccccc1)c1ccc(CN(CCS(C)(=O)=O)C2CC2)cc1 ZINC000769525206 874132288 /nfs/dbraw/zinc/13/22/88/874132288.db2.gz VOGHTCRDFHETTK-UHFFFAOYSA-N 0 0 386.561 3.722 20 10 GHCDRN COc1ccc(O)c(CNC(=O)[C@@H]2CC(c3ccc(Cl)cc3Cl)=NO2)c1 ZINC000769539865 874143680 /nfs/dbraw/zinc/14/36/80/874143680.db2.gz XPRPQJNXANOFKV-KRWDZBQOSA-N 0 0 395.242 3.517 20 10 GHCDRN Fc1ccc(N2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)c(Cl)c1 ZINC000769542735 874146856 /nfs/dbraw/zinc/14/68/56/874146856.db2.gz BJXUCHHRFITXPO-UHFFFAOYSA-N 0 0 389.902 3.638 20 10 GHCDRN CCN(CC)C(=O)c1ccc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)cc1 ZINC000104331580 874313002 /nfs/dbraw/zinc/31/30/02/874313002.db2.gz KMMXXFUMMQFPHA-UHFFFAOYSA-N 0 0 381.520 3.897 20 10 GHCDRN CC[C@]1(C)NC(=O)N(NC(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)C1=O ZINC000769835090 874317000 /nfs/dbraw/zinc/31/70/00/874317000.db2.gz OIWALKHVYUQXFM-QFIPXVFZSA-N 0 0 396.491 3.583 20 10 GHCDRN Cc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000769885493 874350587 /nfs/dbraw/zinc/35/05/87/874350587.db2.gz LOWYLVWTXSHOET-GOSISDBHSA-N 0 0 390.487 3.508 20 10 GHCDRN Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(C(F)(F)F)o1 ZINC000769887331 874351793 /nfs/dbraw/zinc/35/17/93/874351793.db2.gz UHWIHWJYGBWGGF-CYBMUJFWSA-N 0 0 382.382 3.934 20 10 GHCDRN COc1ccc2c(c1)nc(C[NH2+]Cc1cc(C)cc(Br)c1[O-])n2C ZINC000769937652 874376607 /nfs/dbraw/zinc/37/66/07/874376607.db2.gz PODCZAOHCWJKIK-UHFFFAOYSA-N 0 0 390.281 3.648 20 10 GHCDRN CCOC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000769998325 874392501 /nfs/dbraw/zinc/39/25/01/874392501.db2.gz YHYYWEMVCXNOOR-KOLCDFICSA-N 0 0 391.693 3.690 20 10 GHCDRN C[C@@H]1CCc2c(C(=O)Nc3ccc(NC(=O)Nc4ccc(N)cc4)cc3)n[nH]c21 ZINC001198448881 874434119 /nfs/dbraw/zinc/43/41/19/874434119.db2.gz AMOQBPATVYBTGP-GFCCVEGCSA-N 0 0 390.447 3.938 20 10 GHCDRN Cc1ccc(SC[C@@H](C)NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000770349890 874635105 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CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000104944797 874882360 /nfs/dbraw/zinc/88/23/60/874882360.db2.gz ATKXKJMCFZVYAJ-UHFFFAOYSA-N 0 0 399.491 3.851 20 10 GHCDRN COc1nsc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1Cl ZINC001199413281 874976949 /nfs/dbraw/zinc/97/69/49/874976949.db2.gz NNOOUQANHRLZQY-RYUDHWBXSA-N 0 0 399.919 3.848 20 10 GHCDRN CC(C)[C@H]1CCN1C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000775976956 875004184 /nfs/dbraw/zinc/00/41/84/875004184.db2.gz IDANIIMFXSNHKM-XDPMZMSMSA-N 0 0 394.587 3.986 20 10 GHCDRN Cc1noc(C(C)C)c1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771057818 875014214 /nfs/dbraw/zinc/01/42/14/875014214.db2.gz KXXVQVMJKBPJMM-MRXNPFEDSA-N 0 0 391.899 3.860 20 10 GHCDRN C[C@H](NC(=O)N[C@@H](C(C)(C)C)C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000775982193 875032347 /nfs/dbraw/zinc/03/23/47/875032347.db2.gz YXOOYWQFQXOTQV-BBRMVZONSA-N 0 0 387.446 3.860 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cccc([S@@](C)=O)c2)cc1 ZINC000771124120 875032919 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GHCDRN Cc1cc(C(=O)N[C@H]2CCCc3c2ccc(=O)n3C)c(C)n1-c1ccc(F)cc1 ZINC000855030388 880226713 /nfs/dbraw/zinc/22/67/13/880226713.db2.gz LCUZJXMLYQCCFB-FQEVSTJZSA-N 0 0 393.462 3.739 20 10 GHCDRN Cc1cc(C(=O)N(C)c2nccn2C)c(C)n1-c1cccc(Br)c1 ZINC000791247225 880282423 /nfs/dbraw/zinc/28/24/23/880282423.db2.gz BBFIWYQYDIXMAB-UHFFFAOYSA-N 0 0 387.281 3.867 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CC[C@H]1CC[C@H](C)O1 ZINC000791250376 880284625 /nfs/dbraw/zinc/28/46/25/880284625.db2.gz PWOYOVITLSRGRL-QFBILLFUSA-N 0 0 390.524 3.723 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)C[C@H]3OCc4cc(Cl)ccc43)C2)cc1 ZINC000855223886 880369140 /nfs/dbraw/zinc/36/91/40/880369140.db2.gz IXCYPXBPWWABPE-OXJNMPFZSA-N 0 0 386.879 3.705 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3ccccc3NCc3ccco3)C2)cc1 ZINC000855225737 880369924 /nfs/dbraw/zinc/36/99/24/880369924.db2.gz QCBPGYQNDCMXQA-KRWDZBQOSA-N 0 0 391.471 3.909 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCC(=O)Nc1cccc(Cl)c1Cl ZINC000772773347 880372364 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GHCDRN COc1ccc(N(C)Cc2nc3ccc(Br)cc3n2C)c(OC)c1 ZINC000776799885 880381422 /nfs/dbraw/zinc/38/14/22/880381422.db2.gz SPZWQOJWQLTZFE-UHFFFAOYSA-N 0 0 390.281 3.989 20 10 GHCDRN COC(=O)[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(Cl)c(Cl)c1 ZINC000791414147 880394720 /nfs/dbraw/zinc/39/47/20/880394720.db2.gz DQHQCHQUAHEJIJ-OPQSBORISA-N 0 0 397.210 3.875 20 10 GHCDRN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)c2ccccc21 ZINC000855762730 880729570 /nfs/dbraw/zinc/72/95/70/880729570.db2.gz CUPLABCXVKQZAO-FPISAVPCSA-N 0 0 395.455 3.973 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc2[nH]c(C(=O)NC)cc2c1 ZINC000791918275 880804376 /nfs/dbraw/zinc/80/43/76/880804376.db2.gz GNHPMLTTXKMEMK-UHFFFAOYSA-N 0 0 380.448 3.677 20 10 GHCDRN CC(C)OC1CCC(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC1 ZINC000761605207 880825864 /nfs/dbraw/zinc/82/58/64/880825864.db2.gz ZPMXIXPREOLYJW-UHFFFAOYSA-N 0 0 380.872 3.546 20 10 GHCDRN CN(c1ccc(CNC(=O)[C@@H]2CCN(CC(F)(F)F)C2)cc1)C1CCCCC1 ZINC000792096488 880926102 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CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC2(C1)CCCO2 ZINC000858908093 883447324 /nfs/dbraw/zinc/44/73/24/883447324.db2.gz LAYOUEGODYVTMQ-UHFFFAOYSA-N 0 0 377.492 3.742 20 10 GHCDRN Cc1cc(CNC(=O)N2CCC[C@@H](c3nc(C)no3)C2)c(C)n1-c1ccccc1 ZINC000858908495 883448579 /nfs/dbraw/zinc/44/85/79/883448579.db2.gz UUOOAIPYJOBXJT-GOSISDBHSA-N 0 0 393.491 3.875 20 10 GHCDRN CC1(C)CC[C@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000804970996 883520097 /nfs/dbraw/zinc/52/00/97/883520097.db2.gz XTVUEMPCIUJAOG-MRXNPFEDSA-N 0 0 385.430 3.530 20 10 GHCDRN C[N@H+](CCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-])Cc1ccccc1 ZINC000804977210 883525740 /nfs/dbraw/zinc/52/57/40/883525740.db2.gz OOTDDRXAMCGMMJ-UHFFFAOYSA-N 0 0 382.291 3.630 20 10 GHCDRN O=C(NCCCc1cccc(F)c1)NCc1cc(Br)ccc1O ZINC000805097394 883579753 /nfs/dbraw/zinc/57/97/53/883579753.db2.gz PVZHINQBYQSVJS-UHFFFAOYSA-N 0 0 381.245 3.726 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1cc(Br)cc(F)c1[O-] ZINC000186136524 883615887 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Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000761704396 883763018 /nfs/dbraw/zinc/76/30/18/883763018.db2.gz MQZIRMXGUMDHLN-KRWDZBQOSA-N 0 0 389.540 3.714 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCCC[C@@H]2c2noc(C)n2)c1 ZINC000859484233 883842862 /nfs/dbraw/zinc/84/28/62/883842862.db2.gz ALCVLIJZXVSVSY-HXUWFJFHSA-N 0 0 392.459 3.965 20 10 GHCDRN CC[C@@H](C)N1C[C@@]2(F)CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@@]2(F)C1=O ZINC001275236112 912779225 /nfs/dbraw/zinc/77/92/25/912779225.db2.gz KCNNMSZDQUVJPG-GPNNCHTKSA-N 0 0 393.261 3.572 20 10 GHCDRN Cc1cc(C(=O)Nc2ccccc2OCCC(N)=O)c(C)n1-c1ccc(F)cc1 ZINC000918616146 884047475 /nfs/dbraw/zinc/04/74/75/884047475.db2.gz DPOHZCJIHXTJSH-UHFFFAOYSA-N 0 0 395.434 3.740 20 10 GHCDRN CCn1c(C)cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1C ZINC000918633009 884087283 /nfs/dbraw/zinc/08/72/83/884087283.db2.gz IEGOTRNQBYPGGW-HZPDHXFCSA-N 0 0 387.499 3.808 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC(C2(C)OCCO2)CC1 ZINC000859977685 884227781 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Cc1c(N)cccc1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000861488374 885554113 /nfs/dbraw/zinc/55/41/13/885554113.db2.gz PDKAVGKPNVDGQW-UHFFFAOYSA-N 0 0 394.519 3.601 20 10 GHCDRN O=C1OCCN1c1ccc(-c2noc(-c3ccc(-n4cccc4)c(F)c3)n2)cn1 ZINC000762173511 885557984 /nfs/dbraw/zinc/55/79/84/885557984.db2.gz ZJFOSYWFXKDWEM-UHFFFAOYSA-N 0 0 391.362 3.685 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cc(-c4c(F)cccc4F)no3)C2)cc1 ZINC001131029568 885616915 /nfs/dbraw/zinc/61/69/15/885616915.db2.gz CQIKTIMJAAPEIX-CYBMUJFWSA-N 0 0 399.397 3.637 20 10 GHCDRN C[C@H](NC(=O)C(=O)N1CCCCC[C@H]1c1ccco1)c1ccc(N(C)C)cc1 ZINC000807672638 885621586 /nfs/dbraw/zinc/62/15/86/885621586.db2.gz FMJOMZVDWYNGQC-LPHOPBHVSA-N 0 0 383.492 3.667 20 10 GHCDRN CC[C@H]1c2ccsc2CCN1C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807673653 885623153 /nfs/dbraw/zinc/62/31/53/885623153.db2.gz XITYQGMWKHDAGU-KDOFPFPSSA-N 0 0 385.533 3.527 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1C ZINC000807691625 885639715 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CCCN(Cc1ccccc1O)C(=O)Nc1cccc(CS(C)(=O)=O)c1C ZINC000118824813 886238832 /nfs/dbraw/zinc/23/88/32/886238832.db2.gz MSOCCFVMJYUMOY-UHFFFAOYSA-N 0 0 390.505 3.689 20 10 GHCDRN CC(C)CO[C@@H](C)c1noc(CN(C)Cc2cc(F)c(N(C)C)cc2F)n1 ZINC000862252704 886256419 /nfs/dbraw/zinc/25/64/19/886256419.db2.gz WGSRGYJCHGOWLR-ZDUSSCGKSA-N 0 0 382.455 3.779 20 10 GHCDRN CCOC(=O)[C@H](NCc1cc(F)c(N(C)C)cc1F)c1ccc(OC)c(F)c1 ZINC000862332446 886297366 /nfs/dbraw/zinc/29/73/66/886297366.db2.gz VFPPOACDOTUADA-LJQANCHMSA-N 0 0 396.409 3.573 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000919780937 886354400 /nfs/dbraw/zinc/35/44/00/886354400.db2.gz VEDJRKACFHHTAM-UHFFFAOYSA-N 0 0 384.480 3.825 20 10 GHCDRN O=C(c1cccc(O)c1O)N1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC000862445993 886387795 /nfs/dbraw/zinc/38/77/95/886387795.db2.gz LIHHWTFKBFYNPM-UHFFFAOYSA-N 0 0 385.464 3.623 20 10 GHCDRN CC(=O)C(=O)COC(=O)c1c2c(nc3ccccc31)C(=Cc1ccco1)CC2 ZINC000808483639 886393793 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CCOCc1nc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)no1 ZINC000810255676 888359166 /nfs/dbraw/zinc/35/91/66/888359166.db2.gz RGGHUGUGQHESRZ-ZIAGYGMSSA-N 0 0 394.903 3.508 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)Nc3cc(F)c(F)cc3OC)CC2)cc1 ZINC000810270733 888368627 /nfs/dbraw/zinc/36/86/27/888368627.db2.gz DGGCEGNOZBMTNX-UHFFFAOYSA-N 0 0 391.418 3.773 20 10 GHCDRN Cc1c(Cl)nccc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000810286898 888382692 /nfs/dbraw/zinc/38/26/92/888382692.db2.gz FMZODRMMAHYBGU-OAHLLOKOSA-N 0 0 375.856 3.962 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@@H]1C1CCCC1 ZINC000056889682 888382948 /nfs/dbraw/zinc/38/29/48/888382948.db2.gz LLNZQAQCFMVFLV-HXUWFJFHSA-N 0 0 389.515 3.651 20 10 GHCDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000810317574 888428711 /nfs/dbraw/zinc/42/87/11/888428711.db2.gz VVXTWNOTXJQJBU-UHFFFAOYSA-N 0 0 398.463 3.956 20 10 GHCDRN CN(CCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C(=O)OC(C)(C)C ZINC000794852058 888458876 /nfs/dbraw/zinc/45/88/76/888458876.db2.gz KXLFYYAWKPKBAK-UHFFFAOYSA-N 0 0 389.540 3.892 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)c3c[nH]nc3-c3ccccn3)cc2)CC1 ZINC000810369434 888465382 /nfs/dbraw/zinc/46/53/82/888465382.db2.gz JCEITRJQRIBTGK-UHFFFAOYSA-N 0 0 375.476 3.638 20 10 GHCDRN Cc1cc(CNC(=O)[C@@H]2CCCCN2C(=O)C(C)C)c(C)n1-c1ccccc1 ZINC001132264234 888486207 /nfs/dbraw/zinc/48/62/07/888486207.db2.gz MUXHXXJDMZDHAH-NRFANRHFSA-N 0 0 381.520 3.747 20 10 GHCDRN Cc1cc(C(=O)Cn2nc3c(cc2=O)CCCC3)c(C)n1-c1ccccc1C ZINC000915994740 888612459 /nfs/dbraw/zinc/61/24/59/888612459.db2.gz MMGCCGVSEASIEQ-UHFFFAOYSA-N 0 0 375.472 3.721 20 10 GHCDRN Cc1ccc(C(=O)Nc2cccc(N3CCC(C)CC3)c2)cc1S(C)(=O)=O ZINC000153812115 888644110 /nfs/dbraw/zinc/64/41/10/888644110.db2.gz OTNQBPMFKZCQNV-UHFFFAOYSA-N 0 0 386.517 3.887 20 10 GHCDRN CN1C(=O)/C(=C\c2cnn(-c3ccc(F)cc3)c2)c2cc(Br)cnc21 ZINC000794878546 888655394 /nfs/dbraw/zinc/65/53/94/888655394.db2.gz NQBLOCKVZCCJDS-SOFYXZRVSA-N 0 0 399.223 3.686 20 10 GHCDRN Cc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccn1 ZINC000916107570 888715570 /nfs/dbraw/zinc/71/55/70/888715570.db2.gz ZIDMQQAVYNTXTC-UHFFFAOYSA-N 0 0 376.460 3.578 20 10 GHCDRN C[C@@H]1CN(c2ccc(NC(=O)N3Cc4cccc(O)c4C3)cc2F)C[C@@H](C)O1 ZINC000866100050 888733054 /nfs/dbraw/zinc/73/30/54/888733054.db2.gz FOPVZHOMHXPWDH-ZIAGYGMSSA-N 0 0 385.439 3.693 20 10 GHCDRN CC(=O)c1cc(Cl)cc(CN(C)Cc2nc(-c3cccs3)no2)c1O ZINC000796101608 913276135 /nfs/dbraw/zinc/27/61/35/913276135.db2.gz XZJWJIXWPBTWEA-UHFFFAOYSA-N 0 0 377.853 3.992 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc2cccc(O)c21 ZINC000866212923 888783765 /nfs/dbraw/zinc/78/37/65/888783765.db2.gz LAERDBJRECJSRL-UHFFFAOYSA-N 0 0 394.446 3.576 20 10 GHCDRN Cc1cc(CC(=O)Nc2cnc(C)c(C(N)=O)c2)c(C)n1-c1ccc(Cl)cc1 ZINC001132417774 888820067 /nfs/dbraw/zinc/82/00/67/888820067.db2.gz DRSDGQHGXFQJSW-UHFFFAOYSA-N 0 0 396.878 3.731 20 10 GHCDRN CCOC(=O)c1scnc1/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000794930928 888931102 /nfs/dbraw/zinc/93/11/02/888931102.db2.gz HISRYSGVCFRLCE-XYOKQWHBSA-N 0 0 376.484 3.726 20 10 GHCDRN CCOC(=O)c1scnc1/C=C1\SC(=S)N(c2ccccc2)C1=O ZINC000794930927 888931355 /nfs/dbraw/zinc/93/13/55/888931355.db2.gz HISRYSGVCFRLCE-WQLSENKSSA-N 0 0 376.484 3.726 20 10 GHCDRN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000916503008 889076426 /nfs/dbraw/zinc/07/64/26/889076426.db2.gz ZEXSXBPORRSPSN-AVRDEDQJSA-N 0 0 395.547 3.994 20 10 GHCDRN COc1ccc(N(C)Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)cc1F ZINC000121737335 889114116 /nfs/dbraw/zinc/11/41/16/889114116.db2.gz ANFZVWYIVVRDFW-UHFFFAOYSA-N 0 0 394.447 3.614 20 10 GHCDRN C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000774761943 913318016 /nfs/dbraw/zinc/31/80/16/913318016.db2.gz LXCBWTRWXZDVII-DYESRHJHSA-N 0 0 397.519 3.569 20 10 GHCDRN CCCOc1c(Cl)cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1OC ZINC000916611390 889183379 /nfs/dbraw/zinc/18/33/79/889183379.db2.gz JWWIDSLSFMJEHB-UHFFFAOYSA-N 0 0 394.807 3.588 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1O ZINC000867959149 889237639 /nfs/dbraw/zinc/23/76/39/889237639.db2.gz PUKLQBZYCJRAHL-INIZCTEOSA-N 0 0 381.476 3.579 20 10 GHCDRN CC1(C)CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@@H]1c1ccco1 ZINC000868117052 889303305 /nfs/dbraw/zinc/30/33/05/889303305.db2.gz OXXNCCGSFHZIMZ-LJQANCHMSA-N 0 0 387.455 3.548 20 10 GHCDRN C[C@H](NC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccccc1O ZINC000868156501 889327053 /nfs/dbraw/zinc/32/70/53/889327053.db2.gz ZZDFEJMKFQIYCD-UONOGXRCSA-N 0 0 375.419 3.557 20 10 GHCDRN Cc1cc(N)cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1 ZINC000868235368 889364928 /nfs/dbraw/zinc/36/49/28/889364928.db2.gz VQYQAZROFGFKOB-UHFFFAOYSA-N 0 0 381.476 3.583 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N(C)Cc3ccc4cc[nH]c4c3)C2)cc1 ZINC000868719826 889569336 /nfs/dbraw/zinc/56/93/36/889569336.db2.gz BBQRJXVMIMDCRX-SFHVURJKSA-N 0 0 392.503 3.844 20 10 GHCDRN Brc1cncc(Br)c1CNCc1ccc2c(c1)CCO2 ZINC000811477112 889664480 /nfs/dbraw/zinc/66/44/80/889664480.db2.gz GAESDWHSPRIPLB-UHFFFAOYSA-N 0 0 398.098 3.831 20 10 GHCDRN Cc1cc(Br)cc(CN2C[C@@H](C)NC(=O)c3ccccc32)c1O ZINC000811509234 889701109 /nfs/dbraw/zinc/70/11/09/889701109.db2.gz OIRAWZNCCCZNLP-GFCCVEGCSA-N 0 0 375.266 3.602 20 10 GHCDRN O=C(NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)C1=CC(=O)CS1 ZINC000811586497 889766037 /nfs/dbraw/zinc/76/60/37/889766037.db2.gz GOCXXZUQVIQISA-UHFFFAOYSA-N 0 0 383.351 3.539 20 10 GHCDRN O=C1N(CN2CCCc3cc(OC(F)F)ccc32)[C@H]([C@H]2CCCO2)C12CCC2 ZINC000811760769 889971384 /nfs/dbraw/zinc/97/13/84/889971384.db2.gz DVBIMGLLYBFIHB-QZTJIDSGSA-N 0 0 392.446 3.558 20 10 GHCDRN O=C1N(CN2CCCc3cc(OC(F)F)ccc32)[C@H]([C@@H]2CCCO2)C12CCC2 ZINC000811760775 889971582 /nfs/dbraw/zinc/97/15/82/889971582.db2.gz DVBIMGLLYBFIHB-ZWKOTPCHSA-N 0 0 392.446 3.558 20 10 GHCDRN COc1ccc(O)c(CNc2nc3ccccc3nc2N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000811805816 889991463 /nfs/dbraw/zinc/99/14/63/889991463.db2.gz AXGKVVZTFCPAAP-GASCZTMLSA-N 0 0 394.475 3.570 20 10 GHCDRN CCOCc1nc([C@H](C)NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)no1 ZINC000811941375 890134808 /nfs/dbraw/zinc/13/48/08/890134808.db2.gz GCZJAXNJOQIRRG-HNNXBMFYSA-N 0 0 382.464 3.813 20 10 GHCDRN C[C@@H](NC(=O)NCCCSc1nccs1)c1cccc(-n2cccn2)c1 ZINC000154175745 890182791 /nfs/dbraw/zinc/18/27/91/890182791.db2.gz SXVCJXXLCNWYFX-CQSZACIVSA-N 0 0 387.534 3.871 20 10 GHCDRN CCN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CCOC(C)(C)C1 ZINC000812006651 890193321 /nfs/dbraw/zinc/19/33/21/890193321.db2.gz XJPRGAFJOSCSGA-IBGZPJMESA-N 0 0 391.581 3.729 20 10 GHCDRN COc1ccc2c(c1)C1(CC1)CN(C(=O)NCc1ccc3c(c1)CCCN3C)C2 ZINC000812017372 890207770 /nfs/dbraw/zinc/20/77/70/890207770.db2.gz FOXGIHBZAHAPLU-UHFFFAOYSA-N 0 0 391.515 3.835 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CC[C@]3(C2)CCc2ccccc2O3)cc1F ZINC000812019024 890211031 /nfs/dbraw/zinc/21/10/31/890211031.db2.gz UXJRBQSXJIIFGM-QFIPXVFZSA-N 0 0 383.467 3.571 20 10 GHCDRN CN1C(=O)Cc2c1cc(Cl)nc2NCc1cc(Cl)c2cccnc2c1O ZINC001168521922 890275269 /nfs/dbraw/zinc/27/52/69/890275269.db2.gz LKOVRAJBDHXYOA-UHFFFAOYSA-N 0 0 389.242 3.773 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCOC1 ZINC000812387739 890599181 /nfs/dbraw/zinc/59/91/81/890599181.db2.gz QWMRHJZWWZBUSF-HNNXBMFYSA-N 0 0 398.894 3.977 20 10 GHCDRN C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000812430835 890622222 /nfs/dbraw/zinc/62/22/22/890622222.db2.gz SGRCSOLUXSEFHK-LUQKVYGDSA-N 0 0 382.460 3.605 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)s2)c1 ZINC000812501460 890682870 /nfs/dbraw/zinc/68/28/70/890682870.db2.gz ZWFXLLITIFMQPL-MRVPVSSYSA-N 0 0 381.397 3.521 20 10 GHCDRN O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1Cc2cccc(O)c2C1 ZINC000871198265 890691162 /nfs/dbraw/zinc/69/11/62/890691162.db2.gz FEMHHZIVQVVOLD-UHFFFAOYSA-N 0 0 391.393 3.565 20 10 GHCDRN O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000871200562 890691270 /nfs/dbraw/zinc/69/12/70/890691270.db2.gz GNJZVRCDKTTYTB-UHFFFAOYSA-N 0 0 390.892 3.502 20 10 GHCDRN Cc1cc(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)c(C)n1-c1ccccn1 ZINC000154265959 890899393 /nfs/dbraw/zinc/89/93/93/890899393.db2.gz HUEJHMOPIYGCSQ-UHFFFAOYSA-N 0 0 378.407 3.765 20 10 GHCDRN Cc1cc(F)ccc1CCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000154266508 890903725 /nfs/dbraw/zinc/90/37/25/890903725.db2.gz OUYBNKTVIFIJFV-KRWDZBQOSA-N 0 0 385.483 3.574 20 10 GHCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000888585438 890985911 /nfs/dbraw/zinc/98/59/11/890985911.db2.gz LNGVALZKQYDSJW-SJORKVTESA-N 0 0 377.448 3.572 20 10 GHCDRN Cc1cc(C(=O)CN2CCC(F)(F)[C@H](CO)C2)c(C)n1-c1ccccc1C ZINC000812858659 891008853 /nfs/dbraw/zinc/00/88/53/891008853.db2.gz CDZLXNTUYOQBHR-KRWDZBQOSA-N 0 0 376.447 3.535 20 10 GHCDRN Cc1cc(C(=O)CN2CCC(F)(F)[C@H](CO)C2)c(C)n1-c1ccc(C)cc1 ZINC000812860320 891075188 /nfs/dbraw/zinc/07/51/88/891075188.db2.gz YGZXLRPFGDCUPN-KRWDZBQOSA-N 0 0 376.447 3.535 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCN(c2ccccc2F)C1 ZINC000812924233 891130674 /nfs/dbraw/zinc/13/06/74/891130674.db2.gz IFDRHYYLFCNCSE-KRWDZBQOSA-N 0 0 384.499 3.526 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CC(c2ccccc2F)C1 ZINC000813037446 891233402 /nfs/dbraw/zinc/23/34/02/891233402.db2.gz ROVQUAAGWMNWSF-UHFFFAOYSA-N 0 0 385.508 3.688 20 10 GHCDRN C[C@@H](NC(=O)Nc1cc2c(cn1)CCCC2)c1ccc(N2CCOCC2)cc1 ZINC000813014001 891242921 /nfs/dbraw/zinc/24/29/21/891242921.db2.gz MDOYDECREWYPCG-MRXNPFEDSA-N 0 0 380.492 3.680 20 10 GHCDRN CCCc1c(C(=O)NCc2ccc(N3CCSCC3)cc2)[nH]c(C)c1C(C)=O ZINC000054037850 891246362 /nfs/dbraw/zinc/24/63/62/891246362.db2.gz ZFAQDVCRPVRGPN-UHFFFAOYSA-N 0 0 399.560 3.961 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)NCc3ccc4cnn(C)c4c3)c2C)cc1 ZINC000813249691 891407146 /nfs/dbraw/zinc/40/71/46/891407146.db2.gz NVNKGOODLINZSV-UHFFFAOYSA-N 0 0 388.471 3.919 20 10 GHCDRN CN(C)c1ccc(CNc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)cc1 ZINC000813330983 891511874 /nfs/dbraw/zinc/51/18/74/891511874.db2.gz AERFYZVNECTLQV-UHFFFAOYSA-N 0 0 379.501 3.581 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@H](c2ccccc2)OC1=O ZINC000813417322 891596261 /nfs/dbraw/zinc/59/62/61/891596261.db2.gz PJFDUZWKHJHSAV-SFTDATJTSA-N 0 0 380.488 3.794 20 10 GHCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2nc(C3CCCCC3)cs2)cc1 ZINC000873655873 891729149 /nfs/dbraw/zinc/72/91/49/891729149.db2.gz OHGLGULRVMYSAW-UHFFFAOYSA-N 0 0 386.521 3.512 20 10 GHCDRN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000127772304 891747522 /nfs/dbraw/zinc/74/75/22/891747522.db2.gz RRCTUESATAZVGH-JOCHJYFZSA-N 0 0 386.536 3.582 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCN(c2ccccc2F)C1 ZINC000813586891 891769874 /nfs/dbraw/zinc/76/98/74/891769874.db2.gz TYHVHULQMKFJDF-GOSISDBHSA-N 0 0 382.483 3.504 20 10 GHCDRN C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1OCCc2sccc21 ZINC000813587281 891769996 /nfs/dbraw/zinc/76/99/96/891769996.db2.gz YTWMVCNLLHOWCJ-QRWLVFNGSA-N 0 0 385.533 3.850 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C[C@H](n2ccnc2)C(F)(F)F)cc1 ZINC000873862382 891849667 /nfs/dbraw/zinc/84/96/67/891849667.db2.gz PJGLYBDTLDGPSY-KRWDZBQOSA-N 0 0 382.430 3.881 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1cccc(-n2cccc2)c1 ZINC000917386312 891909061 /nfs/dbraw/zinc/90/90/61/891909061.db2.gz SXTZBRYPWJCNCE-UHFFFAOYSA-N 0 0 377.513 3.961 20 10 GHCDRN CCc1ccc(C(=O)N2CCN(Cc3cc(C(C)(C)C)cc(O)c3O)CC2)cc1 ZINC000917453664 892021478 /nfs/dbraw/zinc/02/14/78/892021478.db2.gz KSCQBEWOUFJHEQ-UHFFFAOYSA-N 0 0 396.531 3.916 20 10 GHCDRN C[C@@H](NC(=O)C(=O)Nc1cccc(N2CCCCCC2)c1)c1ccccc1O ZINC000874191173 892027529 /nfs/dbraw/zinc/02/75/29/892027529.db2.gz QDPCGWRBCFLINJ-MRXNPFEDSA-N 0 0 381.476 3.589 20 10 GHCDRN C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000874244013 892051719 /nfs/dbraw/zinc/05/17/19/892051719.db2.gz ANKQGFLCILTECK-OAHLLOKOSA-N 0 0 391.475 3.905 20 10 GHCDRN CO[C@H](C(=O)NCc1cccc(Cl)c1O)c1ccc(Br)s1 ZINC001159041546 892101581 /nfs/dbraw/zinc/10/15/81/892101581.db2.gz RJLYAKOSKYUFAL-ZDUSSCGKSA-N 0 0 390.686 3.874 20 10 GHCDRN COc1c(O)c(CN(C)Cc2ccccc2OC(F)(F)F)ccc1[N+](=O)[O-] ZINC000774827631 913628505 /nfs/dbraw/zinc/62/85/05/913628505.db2.gz RLUYXTBLYYNDBX-UHFFFAOYSA-N 0 0 386.326 3.840 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(OC(F)(F)F)c1 ZINC000124983555 892110537 /nfs/dbraw/zinc/11/05/37/892110537.db2.gz HWQABUVIWCZDJV-UHFFFAOYSA-N 0 0 394.393 3.694 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000874569412 892227409 /nfs/dbraw/zinc/22/74/09/892227409.db2.gz FGVKVHJYYYMXEW-BBRMVZONSA-N 0 0 381.398 3.671 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1CC(c2ccc(F)cc2)C1 ZINC000814102950 892263470 /nfs/dbraw/zinc/26/34/70/892263470.db2.gz KKOGYMMIHUZQOQ-UHFFFAOYSA-N 0 0 382.479 3.815 20 10 GHCDRN Cc1cc(C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c(C)n1-c1ccccc1C ZINC000125109458 892290882 /nfs/dbraw/zinc/29/08/82/892290882.db2.gz HEELNXRXBJGJAN-DENIHFKCSA-N 0 0 393.531 3.576 20 10 GHCDRN O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N[C@H]1CC12CCC2 ZINC000874788527 892327505 /nfs/dbraw/zinc/32/75/05/892327505.db2.gz PPCAPCGOYKATLU-UELRPHRMSA-N 0 0 392.571 3.788 20 10 GHCDRN COc1cccc(N2C(=O)/C(=C/c3cccc4c3OCCO4)SC2=S)c1 ZINC000917643539 892333849 /nfs/dbraw/zinc/33/38/49/892333849.db2.gz GOAVBFFCDPIQDE-YBEGLDIGSA-N 0 0 385.466 3.872 20 10 GHCDRN CCOC1CC2(C[C@H]2NC(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)C1 ZINC000874808402 892336354 /nfs/dbraw/zinc/33/63/54/892336354.db2.gz CYBLSNQCDMENGT-WQMHRJNTSA-N 0 0 380.488 3.523 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Cc3c[nH]c4cccc(Cl)c34)CC2)cc1 ZINC000814211331 892397485 /nfs/dbraw/zinc/39/74/85/892397485.db2.gz ZGWQPRIHSNASQA-UHFFFAOYSA-N 0 0 383.879 3.721 20 10 GHCDRN C[C@@H]1CN(c2ccc(NC(=O)NCCCSc3nccs3)cc2)CCO1 ZINC000154494675 892419507 /nfs/dbraw/zinc/41/95/07/892419507.db2.gz SNQNPKWGUGXEJA-CQSZACIVSA-N 0 0 392.550 3.672 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000125274994 892428211 /nfs/dbraw/zinc/42/82/11/892428211.db2.gz QHCFFCHMHJKFDJ-WOJBJXKFSA-N 0 0 388.533 3.522 20 10 GHCDRN 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[O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F ZINC000816596411 894960912 /nfs/dbraw/zinc/96/09/12/894960912.db2.gz ARXRVOKVDMGCCG-ZDUSSCGKSA-N 0 0 379.737 3.907 20 10 GHCDRN COc1ccc(NCc2ccc3ccccc3c2O)cc1S(=O)(=O)NC1CC1 ZINC000816607384 894967031 /nfs/dbraw/zinc/96/70/31/894967031.db2.gz QIUKTYQVQVIJFS-UHFFFAOYSA-N 0 0 398.484 3.607 20 10 GHCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)c1[O-] ZINC000816630993 894977805 /nfs/dbraw/zinc/97/78/05/894977805.db2.gz ARKAUKCEBNGJPR-GOSISDBHSA-N 0 0 376.840 3.947 20 10 GHCDRN COc1ccc(OCC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)cc1 ZINC000040112331 895127483 /nfs/dbraw/zinc/12/74/83/895127483.db2.gz XWNTUPVNEJQQDF-UHFFFAOYSA-N 0 0 394.471 3.962 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000801546394 921119023 /nfs/dbraw/zinc/11/90/23/921119023.db2.gz OINYQJLDYKJUTF-UHFFFAOYSA-N 0 0 394.431 3.929 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2nc(F)ccc2Br)cc1F ZINC000816922137 895182946 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GHCDRN C[C@H]1C[C@@H](CO)CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000817395972 895576685 /nfs/dbraw/zinc/57/66/85/895576685.db2.gz WWZJQQWVLLWMAY-JKSUJKDBSA-N 0 0 380.448 3.517 20 10 GHCDRN CC(C)(CC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)CC(F)(F)F ZINC000880265282 895600348 /nfs/dbraw/zinc/60/03/48/895600348.db2.gz YGOIBAMATDRGCC-UHFFFAOYSA-N 0 0 394.384 3.786 20 10 GHCDRN COc1ccc(N(C)C(=O)c2ccccc2CCN(C)C(=O)OC(C)(C)C)cn1 ZINC000817431579 895622721 /nfs/dbraw/zinc/62/27/21/895622721.db2.gz XFRPDOYXYQTZBD-UHFFFAOYSA-N 0 0 399.491 3.776 20 10 GHCDRN COC(=O)c1ccc(CCNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 ZINC001135950765 895756107 /nfs/dbraw/zinc/75/61/07/895756107.db2.gz BGMOEBJDOQGOML-UHFFFAOYSA-N 0 0 394.446 3.992 20 10 GHCDRN CCOC(=O)[C@@H](F)C1CN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1 ZINC000817704432 895826333 /nfs/dbraw/zinc/82/63/33/895826333.db2.gz CMRDCOGWHURJSD-SFHVURJKSA-N 0 0 392.858 3.721 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[C@@H]1C(=O)Nc2ccc(F)cc21 ZINC001136025544 895926531 /nfs/dbraw/zinc/92/65/31/895926531.db2.gz OMADPNZJNXSGSC-IBGZPJMESA-N 0 0 381.451 3.510 20 10 GHCDRN CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817949847 895974035 /nfs/dbraw/zinc/97/40/35/895974035.db2.gz ODAQRLVACOFLEN-KXBFYZLASA-N 0 0 387.549 3.887 20 10 GHCDRN COc1c(O)c(CNc2ccc(NC(=O)c3ccco3)cc2)ccc1[N+](=O)[O-] ZINC000774914448 914021695 /nfs/dbraw/zinc/02/16/95/914021695.db2.gz KZFOIASBSMKNJP-UHFFFAOYSA-N 0 0 383.360 3.766 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)Nc2cc3oc(=O)[nH]c3cc2F)C2CC2)cc1 ZINC000888851990 896013456 /nfs/dbraw/zinc/01/34/56/896013456.db2.gz CUGZRPSDYBFXCA-UHFFFAOYSA-N 0 0 384.411 3.935 20 10 GHCDRN COC(=O)[C@H](NC[C@H]1CCN(c2ccc(OC)cc2)C1)c1cccc(Cl)c1 ZINC000818117412 896032175 /nfs/dbraw/zinc/03/21/75/896032175.db2.gz XYEKDARAXXLCFP-FOIQADDNSA-N 0 0 388.895 3.679 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC([C@H](O)COc2ccc(N3CCCC3)cc2)CC1 ZINC000818171525 896055804 /nfs/dbraw/zinc/05/58/04/896055804.db2.gz WCINWYYCCLSESL-HXUWFJFHSA-N 0 0 390.524 3.674 20 10 GHCDRN CC[C@@H](NC(=O)N(CC)Cc1cc(Br)ccc1O)[C@@H]1CCCO1 ZINC000128893093 896263122 /nfs/dbraw/zinc/26/31/22/896263122.db2.gz LRXGOMWAMBWQKA-ZBFHGGJFSA-N 0 0 385.302 3.644 20 10 GHCDRN COC1CCN(c2ccc(Cn3cc(-c4cncc(Cl)c4)nn3)cc2)CC1 ZINC000881379930 896315834 /nfs/dbraw/zinc/31/58/34/896315834.db2.gz DNMGDSARDFFRHP-UHFFFAOYSA-N 0 0 383.883 3.657 20 10 GHCDRN COC1CCN(c2ccc(Cn3cc(-c4cnccc4Cl)nn3)cc2)CC1 ZINC000881380084 896316084 /nfs/dbraw/zinc/31/60/84/896316084.db2.gz JQQCFVAELNIHBK-UHFFFAOYSA-N 0 0 383.883 3.657 20 10 GHCDRN CC(C)(C)Oc1c(F)cc(N2C(=O)CN(Cc3ccccc3O)C2=O)cc1F ZINC000819008380 896325428 /nfs/dbraw/zinc/32/54/28/896325428.db2.gz PSKBVAXDJJDRCY-UHFFFAOYSA-N 0 0 390.386 3.817 20 10 GHCDRN Cc1ccc(C2(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)CCC2)cc1 ZINC000819039603 896334150 /nfs/dbraw/zinc/33/41/50/896334150.db2.gz SBUTWAOIVSEDOZ-UHFFFAOYSA-N 0 0 378.516 3.912 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@](CO)(C(C)C)C3)c2C)cc1 ZINC000819044638 896336516 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COc1ccc(N2CC[C@H](CNC(=O)/C=C(\C)c3ccccc3OC)C2)cc1 ZINC000819582034 896827754 /nfs/dbraw/zinc/82/77/54/896827754.db2.gz HEQOFYCZXLHKEZ-UWXVCKHVSA-N 0 0 380.488 3.750 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)CCOc3ccc(Cl)cc3)C2)cc1 ZINC000819583541 896827821 /nfs/dbraw/zinc/82/78/21/896827821.db2.gz UBWFRQKARSPWSH-MRXNPFEDSA-N 0 0 388.895 3.760 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cc(-c4cccc(F)c4)no3)C2)cc1 ZINC000819582656 896830213 /nfs/dbraw/zinc/83/02/13/896830213.db2.gz KNGZKDNPJQZNKK-OAHLLOKOSA-N 0 0 395.434 3.746 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)C(C)(C)Cc3ccccc3OC)C2)cc1 ZINC000819583573 896830230 /nfs/dbraw/zinc/83/02/30/896830230.db2.gz XLXKAZOOBUYJID-SFHVURJKSA-N 0 0 396.531 3.915 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3ccc(F)c(CSC)c3)C2)cc1 ZINC000819585522 896833397 /nfs/dbraw/zinc/83/33/97/896833397.db2.gz YDUCACODMNOZHL-OAHLLOKOSA-N 0 0 388.508 3.954 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)C[C@H](C)C(=O)c3cccc(F)c3)C2)cc1 ZINC000819585153 896834329 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393.531 3.957 20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)Cc3cccc(F)c3F)cc2F)C[C@H](C)O1 ZINC000755201569 1023122622 /nfs/dbraw/zinc/12/26/22/1023122622.db2.gz XCCLEIBGPRMHSP-KBPBESRZSA-N 0 0 392.421 3.576 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cc(F)cc(F)c1F ZINC000836660908 1023222332 /nfs/dbraw/zinc/22/23/32/1023222332.db2.gz QPVFDSXUVFMOKH-UHFFFAOYSA-N 0 0 381.423 3.979 20 10 GHCDRN C[C@@H](NC(=O)Nc1cc(F)cc(F)c1F)c1ccc(N2CCOCC2)cc1 ZINC000836661726 1023223659 /nfs/dbraw/zinc/22/36/59/1023223659.db2.gz LGOLKBGXWBANMV-GFCCVEGCSA-N 0 0 379.382 3.823 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000836695613 1023264439 /nfs/dbraw/zinc/26/44/39/1023264439.db2.gz CHZXAFRUMBPKLM-CYBMUJFWSA-N 0 0 391.265 3.980 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1nc(CC(F)(F)F)cs1 ZINC000836704031 1023277939 /nfs/dbraw/zinc/27/79/39/1023277939.db2.gz PXRRADLLWGXVHW-UHFFFAOYSA-N 0 0 382.411 3.946 20 10 GHCDRN Cc1cc(C(=O)N(C)C[C@@H](O)C2CC2)c(C)n1-c1cccc(Br)c1 ZINC000755517527 1023281147 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GHCDRN CCOCc1cnc2n1CCN(Cc1cc3c4c(c1)CCCN4CCC3)[C@H]2C ZINC001141077742 1023442171 /nfs/dbraw/zinc/44/21/71/1023442171.db2.gz YSTMSKZGMXHHEJ-KRWDZBQOSA-N 0 0 380.536 3.695 20 10 GHCDRN COC(=O)CN(Cc1nc(C(C)(C)C)cs1)Cc1cc(Cl)ccc1O ZINC000755944237 1023446152 /nfs/dbraw/zinc/44/61/52/1023446152.db2.gz UHXANOOGBSFAAT-UHFFFAOYSA-N 0 0 382.913 3.975 20 10 GHCDRN C[C@H]([NH2+]CCCN1CCN(c2ccccc2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756382895 1023622150 /nfs/dbraw/zinc/62/21/50/1023622150.db2.gz GDMWRCFOVHYWAJ-INIZCTEOSA-N 0 0 375.463 3.533 20 10 GHCDRN C[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])N1CCN(c2ccccc2)CC1 ZINC000756412621 1023634785 /nfs/dbraw/zinc/63/47/85/1023634785.db2.gz VEMZJVMFUUKNQQ-CVEARBPZSA-N 0 0 375.463 3.532 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000756455044 1023659508 /nfs/dbraw/zinc/65/95/08/1023659508.db2.gz HUHMODDKOCRBFD-HUUCEWRRSA-N 0 0 382.460 3.717 20 10 GHCDRN COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756460752 1023663618 /nfs/dbraw/zinc/66/36/18/1023663618.db2.gz RDJNQAOTLMUWQM-QLJPJBMISA-N 0 0 384.245 3.687 20 10 GHCDRN CC(C)C[C@H](O)C[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000756495808 1023685109 /nfs/dbraw/zinc/68/51/09/1023685109.db2.gz BHBCBVMXGOTNIY-KOLCDFICSA-N 0 0 395.135 3.975 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1cc(Br)c(F)cc1[O-] ZINC000756502686 1023686607 /nfs/dbraw/zinc/68/66/07/1023686607.db2.gz KRGLQJAQJFJRMJ-BDAKNGLRSA-N 0 0 385.199 3.581 20 10 GHCDRN C[C@@H]([NH2+]CCC(=O)NCc1ccccc1)c1cc(Br)c(F)cc1[O-] ZINC000756507596 1023690660 /nfs/dbraw/zinc/69/06/60/1023690660.db2.gz CYSCWANWWBSANM-GFCCVEGCSA-N 0 0 395.272 3.651 20 10 GHCDRN COc1cccc2c1OC[C@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1[O-])C2 ZINC000756539244 1023704017 /nfs/dbraw/zinc/70/40/17/1023704017.db2.gz KUVYTCLBSGYUPJ-ZWNOBZJWSA-N 0 0 396.256 3.957 20 10 GHCDRN C[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cc(Br)c(F)cc1[O-] ZINC000756539252 1023705232 /nfs/dbraw/zinc/70/52/32/1023705232.db2.gz KYSLESZBVANZPD-QMMMGPOBSA-N 0 0 396.182 3.903 20 10 GHCDRN C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-])[C@H](C)N1CCOCC1 ZINC000756544754 1023707503 /nfs/dbraw/zinc/70/75/03/1023707503.db2.gz VOHHXCPXTNKJBF-WOPDTQHZSA-N 0 0 391.737 3.568 20 10 GHCDRN C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1cc(Br)c(F)cc1[O-] ZINC000756545546 1023708902 /nfs/dbraw/zinc/70/89/02/1023708902.db2.gz MSRXMBOZGOUZND-LLVKDONJSA-N 0 0 391.244 3.725 20 10 GHCDRN COc1ccc2cc(CN(C)C(=O)CN(C)c3ccc4c(c3)OCO4)ccc2c1 ZINC000756653467 1023755687 /nfs/dbraw/zinc/75/56/87/1023755687.db2.gz KDQCTKXNXWLMTN-UHFFFAOYSA-N 0 0 392.455 3.672 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1cc(Br)c(F)cc1[O-] ZINC000756660334 1023759776 /nfs/dbraw/zinc/75/97/76/1023759776.db2.gz VUOJKWJAOZEXCB-YPMHNXCESA-N 0 0 399.304 3.736 20 10 GHCDRN C[C@H]([NH2+]Cc1cccc2c1OCCO2)c1cc(Br)cc(F)c1[O-] ZINC000756704404 1023781149 /nfs/dbraw/zinc/78/11/49/1023781149.db2.gz NCLOLXKZEDEIGL-JTQLQIEISA-N 0 0 382.229 3.916 20 10 GHCDRN C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1ccc([S@](C)=O)cc1 ZINC000756724871 1023790127 /nfs/dbraw/zinc/79/01/27/1023790127.db2.gz OAEBKTPOCHOIAD-ASHKIFAZSA-N 0 0 386.517 3.569 20 10 GHCDRN C[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1cc(Br)c(F)cc1[O-] ZINC000756737763 1023793957 /nfs/dbraw/zinc/79/39/57/1023793957.db2.gz AZFSSDKRCHAKIH-MGUXCZDKSA-N 0 0 386.286 3.882 20 10 GHCDRN CC(C)CSCCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000756750354 1023798640 /nfs/dbraw/zinc/79/86/40/1023798640.db2.gz YVVUPTRQHOTPFE-GOSISDBHSA-N 0 0 380.554 3.862 20 10 GHCDRN C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1[O-] ZINC000756757498 1023801872 /nfs/dbraw/zinc/80/18/72/1023801872.db2.gz CFTRUAILGDSJIL-JSGCOSHPSA-N 0 0 387.373 3.932 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)Cc2cc(C)nn2-c2ccccc2)c1 ZINC000756758159 1023802886 /nfs/dbraw/zinc/80/28/86/1023802886.db2.gz FXGBLSYRSNRPPF-DOTOQJQBSA-N 0 0 393.487 3.955 20 10 GHCDRN C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756762439 1023804341 /nfs/dbraw/zinc/80/43/41/1023804341.db2.gz ZYWARXGTVIMCBK-STQMWFEESA-N 0 0 398.381 3.821 20 10 GHCDRN COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1O)C2 ZINC000756775786 1023811340 /nfs/dbraw/zinc/81/13/40/1023811340.db2.gz SYAZHENFVBOSNA-RISCZKNCSA-N 0 0 378.266 3.818 20 10 GHCDRN CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756859128 1023837854 /nfs/dbraw/zinc/83/78/54/1023837854.db2.gz YQBLYODYEUXGOH-VIFPVBQESA-N 0 0 377.710 3.621 20 10 GHCDRN CN(C)c1ccc(CNC(=O)Nc2cccc3c2CN(c2ccccn2)C3)cc1 ZINC000756922900 1023868242 /nfs/dbraw/zinc/86/82/42/1023868242.db2.gz ZZNOETHVHRVTRP-UHFFFAOYSA-N 0 0 387.487 3.990 20 10 GHCDRN Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1N ZINC000830665390 1024054549 /nfs/dbraw/zinc/05/45/49/1024054549.db2.gz WIFWBFKJJQIDAQ-HNNXBMFYSA-N 0 0 375.419 3.577 20 10 GHCDRN Cc1ccc(N)cc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830665237 1024055029 /nfs/dbraw/zinc/05/50/29/1024055029.db2.gz RNDVKEMFVWDTMH-OAHLLOKOSA-N 0 0 375.419 3.577 20 10 GHCDRN COc1cccc(OC)c1CN1CCC([N@H+](C)Cc2cccc(F)c2[O-])CC1 ZINC001138127786 1024175866 /nfs/dbraw/zinc/17/58/66/1024175866.db2.gz QHSZOUISGHBMCN-UHFFFAOYSA-N 0 0 388.483 3.645 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NC[C@@]2(C)CCC(=O)N2)cc1 ZINC000837222262 1024249563 /nfs/dbraw/zinc/24/95/63/1024249563.db2.gz DXLIMYHBSMKVSI-OAQYLSRUSA-N 0 0 379.464 3.567 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@](C)(C(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1 ZINC000837253966 1024292872 /nfs/dbraw/zinc/29/28/72/1024292872.db2.gz XMCYHZOGQAPUQH-QFIPXVFZSA-N 0 0 383.492 3.683 20 10 GHCDRN c1nc(COCC2CC2)c2n1CCN(Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138216583 1024383644 /nfs/dbraw/zinc/38/36/44/1024383644.db2.gz CJAQWBRPODBXAU-UHFFFAOYSA-N 0 0 380.536 3.816 20 10 GHCDRN O=C1Nc2ccccc2CN1C1CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138222163 1024398532 /nfs/dbraw/zinc/39/85/32/1024398532.db2.gz JKAYJOYBQKYQTI-UHFFFAOYSA-N 0 0 376.504 3.909 20 10 GHCDRN Cc1cc(C(=O)COC(=O)CC[C@@H]2CCCO2)c(C)n1-c1ccc(Cl)cn1 ZINC000837422257 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390.361 3.617 20 10 GHCDRN CC(C)[C@@H]1N(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC12CCCC2 ZINC000837712595 1024656348 /nfs/dbraw/zinc/65/63/48/1024656348.db2.gz CVSGBNGPSQDMOK-FQEVSTJZSA-N 0 0 389.515 3.773 20 10 GHCDRN Cc1ccc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c(C(C)C)n1 ZINC000837715084 1024657829 /nfs/dbraw/zinc/65/78/29/1024657829.db2.gz QQOASNKOTQUENU-UHFFFAOYSA-N 0 0 389.446 3.558 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1C[N@H+](CCO)Cc1cccs1 ZINC001141371495 1024750977 /nfs/dbraw/zinc/75/09/77/1024750977.db2.gz ZCIJNGONDLSWQB-UHFFFAOYSA-N 0 0 376.703 3.864 20 10 GHCDRN C[C@H](NC(=O)N1Cc2ccc(Cl)cc2C1)c1ccc(N2CCOCC2)cc1 ZINC000837881183 1024777730 /nfs/dbraw/zinc/77/77/30/1024777730.db2.gz AQGPQPFRJXBNFB-HNNXBMFYSA-N 0 0 385.895 3.963 20 10 GHCDRN COc1ccc(N2CCN(Cc3c[nH]nc3-c3ccc(C)cc3)CC2)c(OC)c1 ZINC001138450739 1024874988 /nfs/dbraw/zinc/87/49/88/1024874988.db2.gz ZLUZEYRNNRFNEK-UHFFFAOYSA-N 0 0 392.503 3.725 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)c1csc(N2CCCCC2)n1 ZINC001156789693 1033242560 /nfs/dbraw/zinc/24/25/60/1033242560.db2.gz AORKQXWVHZQEDO-UHFFFAOYSA-N 0 0 396.310 3.532 20 10 GHCDRN CC(=O)Nc1ccc(C(=O)NCc2cccc(Br)c2O)cc1Cl ZINC001156790763 1033243582 /nfs/dbraw/zinc/24/35/82/1033243582.db2.gz FXDINFHFUGKMRZ-UHFFFAOYSA-N 0 0 397.656 3.697 20 10 GHCDRN COc1ccc(N2CCN(Cc3cccc(Oc4ncccn4)c3)CC2)cc1 ZINC001138617322 1025110347 /nfs/dbraw/zinc/11/03/47/1025110347.db2.gz PKNQQWNIXPRMKX-UHFFFAOYSA-N 0 0 376.460 3.600 20 10 GHCDRN C[N@H+](Cc1ccsc1)Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138678367 1025203412 /nfs/dbraw/zinc/20/34/12/1025203412.db2.gz BDRHQSVXMYHVBE-UHFFFAOYSA-N 0 0 381.339 3.979 20 10 GHCDRN C[C@H](NC(=O)NC1(Cc2ccccc2)CCOCC1)c1ccc(N(C)C)cc1 ZINC000838560454 1025208682 /nfs/dbraw/zinc/20/86/82/1025208682.db2.gz XGEGEPORCCPPSC-SFHVURJKSA-N 0 0 381.520 3.905 20 10 GHCDRN C[C@H](NC(=O)N(C)[C@@H](CO)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000838560096 1025209983 /nfs/dbraw/zinc/20/99/83/1025209983.db2.gz ULKZNZJZWIGDHZ-LIRRHRJNSA-N 0 0 375.900 3.842 20 10 GHCDRN CC(C)[C@@H]1C[C@H](CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCO1 ZINC000838671571 1025283071 /nfs/dbraw/zinc/28/30/71/1025283071.db2.gz CSZFKFZYMRINLU-QFUCXCTJSA-N 0 0 390.524 3.534 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cnccc1C ZINC000838676030 1025285314 /nfs/dbraw/zinc/28/53/14/1025285314.db2.gz MBYCEXRRBCDGIZ-UHFFFAOYSA-N 0 0 378.270 3.590 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000838700753 1025312298 /nfs/dbraw/zinc/31/22/98/1025312298.db2.gz UHQWXLASKMHIPO-WIYYLYMNSA-N 0 0 382.508 3.599 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1ccc(C)cn1 ZINC000838734659 1025335793 /nfs/dbraw/zinc/33/57/93/1025335793.db2.gz KZYQJAHYDXQLLV-UHFFFAOYSA-N 0 0 392.297 3.632 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CC2(CC2)c2ccccc21 ZINC000838740014 1025339508 /nfs/dbraw/zinc/33/95/08/1025339508.db2.gz RGUAEZFXGJKXEW-UHFFFAOYSA-N 0 0 399.441 3.563 20 10 GHCDRN Cc1cc(C)cc(NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000838747236 1025342732 /nfs/dbraw/zinc/34/27/32/1025342732.db2.gz PSHMOXAFVNXGIS-UHFFFAOYSA-N 0 0 375.419 3.740 20 10 GHCDRN CC[C@@H]1CCc2[nH]c(=O)c(C(=O)NCc3ccc(N4CCCC4)cc3)cc2C1 ZINC001141538673 1025431448 /nfs/dbraw/zinc/43/14/48/1025431448.db2.gz TYUGOCZBGGKHFK-MRXNPFEDSA-N 0 0 379.504 3.832 20 10 GHCDRN COc1nn(C)cc1NCc1ccc(N2CCCCC2)c(Br)c1 ZINC000839042960 1025538650 /nfs/dbraw/zinc/53/86/50/1025538650.db2.gz NKZHEGDLKJHNTO-UHFFFAOYSA-N 0 0 379.302 3.794 20 10 GHCDRN CCO[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000839147829 1025644496 /nfs/dbraw/zinc/64/44/96/1025644496.db2.gz SCCXNAPDLFHUKI-PHIMTYICSA-N 0 0 379.092 3.574 20 10 GHCDRN O=C(NCc1ccc(O)cc1O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001162279134 1025700293 /nfs/dbraw/zinc/70/02/93/1025700293.db2.gz RTUQTDNYWNPKBC-UHFFFAOYSA-N 0 0 381.350 3.636 20 10 GHCDRN Cc1cc(C(=O)CN2CC[C@@H](O)[C@H](C3CCCC3)C2)c(C)n1-c1ccc(F)cn1 ZINC000839201038 1025718995 /nfs/dbraw/zinc/71/89/95/1025718995.db2.gz CQKSOTLAJLFBOL-LEWJYISDSA-N 0 0 399.510 3.684 20 10 GHCDRN CCOC(=O)c1cc(C(C)C)nc(NC2CCN(c3ccc(OC)cc3)CC2)n1 ZINC001162375021 1025727448 /nfs/dbraw/zinc/72/74/48/1025727448.db2.gz ATBUHTJNXMKIIW-UHFFFAOYSA-N 0 0 398.507 3.866 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2)C2CC2)cc1 ZINC000839238923 1025750583 /nfs/dbraw/zinc/75/05/83/1025750583.db2.gz KXMVQCHXVBSBFT-JOCHJYFZSA-N 0 0 391.515 3.548 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCC[C@H](c2nc(C(C)C)no2)C1 ZINC001139131456 1025943238 /nfs/dbraw/zinc/94/32/38/1025943238.db2.gz OKZZEDIHJRIYMV-AWEZNQCLSA-N 0 0 383.448 3.693 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)c3cncc4ncn(C)c43)cc2Cl)C1 ZINC001139139544 1025953592 /nfs/dbraw/zinc/95/35/92/1025953592.db2.gz WDSMKRZVMBCABU-AWEZNQCLSA-N 0 0 397.910 3.788 20 10 GHCDRN CC[C@@H](C)[C@H](NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1)C(F)(F)F ZINC000839525818 1026011349 /nfs/dbraw/zinc/01/13/49/1026011349.db2.gz YNTSNGNFTILSNX-DYVFJYSZSA-N 0 0 399.457 3.885 20 10 GHCDRN CC(C)(CC(F)F)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000839545055 1026040445 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CNS(=O)(=O)c1ccccc1Nc1ccc(CCc2ccc(N)cc2)cc1 ZINC001216535119 1029674949 /nfs/dbraw/zinc/67/49/49/1029674949.db2.gz RDLUEWZSEJPPRH-UHFFFAOYSA-N 0 0 381.501 3.706 20 10 GHCDRN CCOC(=O)[C@H]1c2ccoc2CCN1C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001461586559 1069625174 /nfs/dbraw/zinc/62/51/74/1069625174.db2.gz WURQTSPANRKUHU-OAQYLSRUSA-N 0 0 392.455 3.990 20 10 GHCDRN Nc1ccc(Cc2noc([C@H]3CCCN3c3ncnc4sccc43)n2)cc1 ZINC000843161505 1029835794 /nfs/dbraw/zinc/83/57/94/1029835794.db2.gz VUAGYVATSUXPLS-OAHLLOKOSA-N 0 0 378.461 3.589 20 10 GHCDRN Nc1ccc(Cc2noc([C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)n2)cc1 ZINC000843159614 1029835947 /nfs/dbraw/zinc/83/59/47/1029835947.db2.gz CHNDCAKHSWOQQO-INIZCTEOSA-N 0 0 396.878 3.916 20 10 GHCDRN COc1cc(OC)c2c(c1)N(C(=O)/C=C\c1cnc3ccccc3n1)CCC2 ZINC001461582378 1069622994 /nfs/dbraw/zinc/62/29/94/1069622994.db2.gz XQFMEKITJFWRPW-KTKRTIGZSA-N 0 0 375.428 3.640 20 10 GHCDRN [O-]c1c(CN2CC[C@@]23CCC[NH2+]C3)cc(Br)cc1C(F)(F)F ZINC001222204144 1030001074 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GHCDRN N#[N+][N-]S(=O)(=O)c1ccc(-c2nc(-c3cc(C(F)(F)F)ccn3)no2)cc1 ZINC001217093741 1030156624 /nfs/dbraw/zinc/15/66/24/1030156624.db2.gz RGTBSCIZLLFCRQ-UHFFFAOYSA-N 0 0 396.310 3.816 20 10 GHCDRN N#[N+][N-]S(=O)(=O)c1ccc(-c2nc(-c3ccc4c(c3)CCC4=O)no2)cc1 ZINC001217093721 1030156909 /nfs/dbraw/zinc/15/69/09/1030156909.db2.gz QPIAKZDVWKNVER-UHFFFAOYSA-N 0 0 381.373 3.532 20 10 GHCDRN Nc1ccc2c(c1NC(=O)c1cc3cccnc3s1)C(=O)c1ccccc1C2=O ZINC001149535925 1030214097 /nfs/dbraw/zinc/21/40/97/1030214097.db2.gz QHZOBSTZZZFOTF-UHFFFAOYSA-N 0 0 399.431 3.906 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3cccc4c3NC(=O)C4=O)n2)cc1 ZINC001217354287 1030331974 /nfs/dbraw/zinc/33/19/74/1030331974.db2.gz CTBSTJBNIVRYPR-UHFFFAOYSA-N 0 0 384.395 3.946 20 10 GHCDRN C[C@H]1CCc2cc(F)cc3c(=O)c(C(=O)N4CCc5cccc(O)c5C4)cn1c23 ZINC001150141602 1030422267 /nfs/dbraw/zinc/42/22/67/1030422267.db2.gz NLWIMEBWJNMZCW-ZDUSSCGKSA-N 0 0 392.430 3.552 20 10 GHCDRN CN(C)c1ccc(CNC(=O)NCc2ccccc2C(=O)OC(C)(C)C)cc1 ZINC001223196345 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C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)NCc1cc(O)ccc1O ZINC001153879652 1031790926 /nfs/dbraw/zinc/79/09/26/1031790926.db2.gz SVMYRCLMVPBLIG-CQSZACIVSA-N 0 0 378.428 3.572 20 10 GHCDRN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)N[C@H](C)c2ccccc2O)C1 ZINC001226340439 1031921609 /nfs/dbraw/zinc/92/16/09/1031921609.db2.gz LTRHAPVMQAFIAG-HIFRSBDPSA-N 0 0 389.883 3.693 20 10 GHCDRN CC1(C)CCC[C@H](NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC001226475643 1031972121 /nfs/dbraw/zinc/97/21/21/1031972121.db2.gz HGIZLOLOEFIMJB-HNNXBMFYSA-N 0 0 381.467 3.569 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)c1cccc2c1C(=O)N(C)C2 ZINC001154333713 1032045810 /nfs/dbraw/zinc/04/58/10/1032045810.db2.gz XBQHQKFFBXQWQT-FQEVSTJZSA-N 0 0 378.472 3.648 20 10 GHCDRN COC(=O)c1cnc(Cl)c(C(F)(F)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC001156921010 1033319991 /nfs/dbraw/zinc/31/99/91/1033319991.db2.gz ONUOPHOBPPIKDH-UHFFFAOYSA-N 0 0 383.826 3.769 20 10 GHCDRN CCOC(=O)[C@H]1CC[C@H](Oc2c(OC)ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001229241585 1033362515 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Cc1cc(N(C)C)ccc1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001353244975 1065800219 /nfs/dbraw/zinc/80/02/19/1065800219.db2.gz GCVIMDPBMZCBSR-UHFFFAOYSA-N 0 0 392.253 3.662 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)c2cc(Cl)cc(Cl)c2N)cc1 ZINC001300279145 1065913189 /nfs/dbraw/zinc/91/31/89/1065913189.db2.gz DPEAHJIDMLMMNU-UHFFFAOYSA-N 0 0 382.291 3.793 20 10 GHCDRN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 ZINC001466015974 1065956331 /nfs/dbraw/zinc/95/63/31/1065956331.db2.gz HXYKDUCWGWGGTF-HXUWFJFHSA-N 0 0 377.440 3.945 20 10 GHCDRN CC(=O)Nc1ccc(S[C@H](C)C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001300399251 1066219244 /nfs/dbraw/zinc/21/92/44/1066219244.db2.gz KBHRPYIIIOSXDQ-LLVKDONJSA-N 0 0 378.881 3.801 20 10 GHCDRN Cc1c(Br)nccc1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001466729259 1066281925 /nfs/dbraw/zinc/28/19/25/1066281925.db2.gz SXEURWQPFWLGDO-UHFFFAOYSA-N 0 0 387.281 3.850 20 10 GHCDRN COc1cc(OC)cc(C2(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)CCCC2)c1 ZINC001466791422 1066317437 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GHCDRN COc1ccc(N2CCC(NC(=O)c3ccc(OC(F)F)cc3F)CC2)cc1 ZINC001358165333 1067423608 /nfs/dbraw/zinc/42/36/08/1067423608.db2.gz LHHCZNLCNYHEJQ-UHFFFAOYSA-N 0 0 394.393 3.835 20 10 GHCDRN Cc1cc(CCNC(=O)NCCc2cccc(O)c2)c(C)n1-c1ccccc1 ZINC001477715906 1078539638 /nfs/dbraw/zinc/53/96/38/1078539638.db2.gz IWWALWCOBCMXQE-UHFFFAOYSA-N 0 0 377.488 3.884 20 10 GHCDRN CN(Cc1cccs1)c1ccc(CNc2cccc(C(=O)NC(N)=O)c2)cc1 ZINC001474122817 1067586415 /nfs/dbraw/zinc/58/64/15/1067586415.db2.gz NBVGBTQXYKAPAN-UHFFFAOYSA-N 0 0 394.500 3.805 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@H](C4CCC4)C3)cc2F)C[C@@H](C)O1 ZINC001468095552 1067594089 /nfs/dbraw/zinc/59/40/89/1067594089.db2.gz BNPCUXMJRJMDGR-MDZRGWNJSA-N 0 0 389.515 3.771 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@H](C2CCC2)CC1 ZINC001468095671 1067594319 /nfs/dbraw/zinc/59/43/19/1067594319.db2.gz WWNJMBHNPHBDMF-IBGZPJMESA-N 0 0 389.515 3.774 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N[C@H](c2ccccc2)C2(CO)CCC2)cc1F ZINC001468354262 1067700351 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COc1cccc([C@@H]2C(=O)N([C@@H](C)Cc3ccc(N(C)C)cc3C)C(=O)N2C)c1 ZINC000849356272 1067820027 /nfs/dbraw/zinc/82/00/27/1067820027.db2.gz GVAUACKAEJTMPP-HRAATJIYSA-N 0 0 395.503 3.636 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc(F)cc1Br ZINC001468742812 1067856442 /nfs/dbraw/zinc/85/64/42/1067856442.db2.gz BRRZKUQJZRJXHG-UHFFFAOYSA-N 0 0 394.288 3.962 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H](Cc1ccccc1)c1ncco1 ZINC001468968184 1067940493 /nfs/dbraw/zinc/94/04/93/1067940493.db2.gz OOEXGXTVCNTQHL-NRFANRHFSA-N 0 0 388.471 3.834 20 10 GHCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CC(CC2CC2)C1 ZINC001469108037 1067980868 /nfs/dbraw/zinc/98/08/68/1067980868.db2.gz VTXNOLCRELCYPN-INIZCTEOSA-N 0 0 379.451 3.698 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)NC[C@@H](C)Sc2ccccc2)cc1 ZINC001469108723 1067981621 /nfs/dbraw/zinc/98/16/21/1067981621.db2.gz AZPFVGRJMVNUDG-QGZVFWFLSA-N 0 0 387.549 3.954 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccc(O)cc1O)C1CCCCCC1 ZINC001469161221 1068002824 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COc1ccc(Cl)c(NC(=S)NNc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000767691909 1068205773 /nfs/dbraw/zinc/20/57/73/1068205773.db2.gz NFBMEQGNHWLWPT-UHFFFAOYSA-N 0 0 382.829 3.579 20 10 GHCDRN CC(C)CCN(C)c1nnc([C@@H]2CCOC2)n1CCCSc1nccs1 ZINC001359918691 1068256675 /nfs/dbraw/zinc/25/66/75/1068256675.db2.gz MZBKCTMZPCJXIX-OAHLLOKOSA-N 0 0 395.598 3.903 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C\c1ccc(C(=O)OC(C)(C)C)o1 ZINC001360075818 1068345426 /nfs/dbraw/zinc/34/54/26/1068345426.db2.gz UIHHOPLFPQQOCE-BENRWUELSA-N 0 0 384.476 3.939 20 10 GHCDRN Cn1cnc(/C=C/C(=O)N2CCCc3cc(Br)cc(Cl)c32)c1 ZINC001360193789 1068406230 /nfs/dbraw/zinc/40/62/30/1068406230.db2.gz SLAACAPKJLNQQC-SNAWJCMRSA-N 0 0 380.673 3.829 20 10 GHCDRN CC(C)[C@H](O)CCNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC001469960508 1068490063 /nfs/dbraw/zinc/49/00/63/1068490063.db2.gz PPKKUILDGWDYOK-HNAYVOBHSA-N 0 0 381.948 3.783 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N(C)[C@H](CO)Cc3ccccc3)c2C)cc1 ZINC001470051935 1068543978 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20 10 GHCDRN COc1cccc(F)c1CNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC001472145607 1073345749 /nfs/dbraw/zinc/34/57/49/1073345749.db2.gz HWEGMQPSDDXCTP-UHFFFAOYSA-N 0 0 380.419 3.984 20 10 GHCDRN Cc1cc(CNC(=O)N2CCC([C@H](C)CO)CC2)c(C)n1-c1cccc(C)c1 ZINC001479099581 1079101717 /nfs/dbraw/zinc/10/17/17/1079101717.db2.gz MOIQCWMXDFNWBJ-QGZVFWFLSA-N 0 0 383.536 3.953 20 10 GHCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNc3cc(Cl)nc(C4CCC4)n3)cc2)C1 ZINC001472664374 1073604097 /nfs/dbraw/zinc/60/40/97/1073604097.db2.gz RZYHUROZRRWHRT-MRXNPFEDSA-N 0 0 399.926 3.711 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)c2cc(C(F)F)nc3ncnn32)cc1 ZINC001472723075 1073636123 /nfs/dbraw/zinc/63/61/23/1073636123.db2.gz UXFCRWAPXLXEAE-UHFFFAOYSA-N 0 0 398.417 3.928 20 10 GHCDRN COC(=O)/C=C\c1ccc(N2CC[C@]3(CC(F)(F)C3(F)F)C2)c([N+](=O)[O-])c1 ZINC001472876127 1073707351 /nfs/dbraw/zinc/70/73/51/1073707351.db2.gz NHFDOZAJUDXDBD-QTLSWZBMSA-N 0 0 388.317 3.652 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1CC(C)(C)CO1 ZINC001479218006 1079157643 /nfs/dbraw/zinc/15/76/43/1079157643.db2.gz ITSQLKZKOYGVKO-AWEZNQCLSA-N 0 0 385.302 3.501 20 10 GHCDRN O=C1CC[C@@H](CN(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)CCN1 ZINC001473225428 1073873267 /nfs/dbraw/zinc/87/32/67/1073873267.db2.gz PLHFJFNGWWDDFV-DHBDYNCWSA-N 0 0 392.499 3.894 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)NCC(=O)N(CC)c1ccccc1 ZINC001479332280 1079182980 /nfs/dbraw/zinc/18/29/80/1079182980.db2.gz NCUFLCOELJDPNZ-UHFFFAOYSA-N 0 0 383.492 3.757 20 10 GHCDRN O=C(NCc1cc(Cl)ccc1O)NC1CN(c2ccc(C(F)(F)F)cc2)C1 ZINC001479376921 1079191276 /nfs/dbraw/zinc/19/12/76/1079191276.db2.gz FMJHSOUQKCTTRD-UHFFFAOYSA-N 0 0 399.800 3.752 20 10 GHCDRN COc1ccc(N(C)C[C@@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001473613290 1074048735 /nfs/dbraw/zinc/04/87/35/1074048735.db2.gz OFZCNTQXVOPMDK-IBGZPJMESA-N 0 0 390.524 3.938 20 10 GHCDRN CN(C)c1ccc(CN2CCN(Cc3ccc(C(F)(F)F)cc3)C(=O)C2)cc1 ZINC001473691458 1074089625 /nfs/dbraw/zinc/08/96/25/1074089625.db2.gz SJBXIGWZGDIUTK-UHFFFAOYSA-N 0 0 391.437 3.616 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)c1 ZINC001473946877 1074214370 /nfs/dbraw/zinc/21/43/70/1074214370.db2.gz KTXBHHSEGJQRMW-UHFFFAOYSA-N 0 0 389.293 3.880 20 10 GHCDRN COCCOc1cc(C)ccc1C[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC001474044605 1074246208 /nfs/dbraw/zinc/24/62/08/1074246208.db2.gz NCRXCHAGAOJCDM-UHFFFAOYSA-N 0 0 398.272 3.917 20 10 GHCDRN COc1cc(C)c(CN2CCOc3c(Br)cccc3C2)c(O)c1 ZINC001474491802 1074430103 /nfs/dbraw/zinc/43/01/03/1074430103.db2.gz MXCPSOOGVFOBJG-UHFFFAOYSA-N 0 0 378.266 3.866 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3ccc(C)c(OC)c3C)CC2)c(OC)c1 ZINC001475933804 1075051914 /nfs/dbraw/zinc/05/19/14/1075051914.db2.gz YTTXVTRTESACLD-UHFFFAOYSA-N 0 0 399.491 3.683 20 10 GHCDRN O=C(NCc1c(O)cccc1F)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC001475995042 1075065552 /nfs/dbraw/zinc/06/55/52/1075065552.db2.gz ILDJOCQLMGKSSF-UHFFFAOYSA-N 0 0 385.439 3.869 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(-n3nccn3)cc2C(F)(F)F)c1 ZINC001476004977 1075067414 /nfs/dbraw/zinc/06/74/14/1075067414.db2.gz ZBJXPMFYXSCPKV-UHFFFAOYSA-N 0 0 391.353 3.622 20 10 GHCDRN NC(=O)c1ccccc1Oc1ccc(NC(=O)NCc2c(O)cccc2F)cc1 ZINC001476249051 1075110650 /nfs/dbraw/zinc/11/06/50/1075110650.db2.gz SVWNRKAXRVSVMX-UHFFFAOYSA-N 0 0 395.390 3.744 20 10 GHCDRN CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1CCCn1ccnc1C ZINC001495138654 1079385682 /nfs/dbraw/zinc/38/56/82/1079385682.db2.gz WLOCPILJAAQWMY-MRXNPFEDSA-N 0 0 382.512 3.729 20 10 GHCDRN FC(F)Oc1ccc(N2CCC[C@@H](Nc3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC000822732862 599084443 /nfs/dbraw/zinc/08/44/43/599084443.db2.gz MYGJJASLKQLFGC-OAHLLOKOSA-N 0 0 386.406 3.549 20 10 GHCDRN Cc1cc(C(=O)Nc2cccc(F)c2F)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737238405 598612087 /nfs/dbraw/zinc/61/20/87/598612087.db2.gz MRAIAOKRQLTSCW-UHFFFAOYSA-N 0 0 394.385 3.805 20 10 GHCDRN COc1cc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)ccc1SC ZINC000737881463 600143964 /nfs/dbraw/zinc/14/39/64/600143964.db2.gz RABPFTUSJFNMHO-UHFFFAOYSA-N 0 0 381.881 3.863 20 10 GHCDRN C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000736814154 600709719 /nfs/dbraw/zinc/70/97/19/600709719.db2.gz ILJWMLPKMWGEGM-QXLXQBSBSA-N 0 0 395.459 3.793 20 10 GHCDRN O=C([O-])[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1F ZINC000833167877 600758383 /nfs/dbraw/zinc/75/83/83/600758383.db2.gz RHTYFIUJNXGOEC-UGSOOPFHSA-N 0 0 394.393 3.811 20 10 GHCDRN COc1ccc(O)c([C@H](C)[NH2+][C@@H](C(=O)[O-])c2cccc(Br)c2)c1 ZINC000833733229 605126927 /nfs/dbraw/zinc/12/69/27/605126927.db2.gz DGHRFFXCWQDLCS-MGPLVRAMSA-N 0 0 380.238 3.640 20 10 GHCDRN Cc1ccc(N2C(=O)C(=Cc3cc(-c4nn[nH]n4)cs3)SC2=S)cc1C ZINC000822241379 606334617 /nfs/dbraw/zinc/33/46/17/606334617.db2.gz UFARQJSXFTUUOE-AUWJEWJLSA-N 0 0 399.526 3.951 20 10 GHCDRN Cc1cccc(C)c1N1C(=O)C(=Cc2cc(-c3nn[nH]n3)cs2)SC1=S ZINC000822293603 606336083 /nfs/dbraw/zinc/33/60/83/606336083.db2.gz DLCJCHOIIRARKG-NTUHNPAUSA-N 0 0 399.526 3.951 20 10 GHCDRN Oc1ccc(F)cc1CNc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826511520 609485381 /nfs/dbraw/zinc/48/53/81/609485381.db2.gz TVJIQTLFRDYABV-UHFFFAOYSA-N 0 0 391.406 3.903 20 10 GHCDRN CCc1cnccc1CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000683490888 837406372 /nfs/dbraw/zinc/40/63/72/837406372.db2.gz WJWJHAMLNZUPMQ-UHFFFAOYSA-N 0 0 390.531 3.682 20 10 GHCDRN COc1ccccc1[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)c1ccccn1 ZINC000376470685 837456648 /nfs/dbraw/zinc/45/66/48/837456648.db2.gz GBRLWXTUTQGVHH-IBGZPJMESA-N 0 0 395.415 3.592 20 10 GHCDRN O=C1/C(=C/c2ccc(O)c(Br)c2)SC(=S)N1Cc1ccon1 ZINC000255061249 837472509 /nfs/dbraw/zinc/47/25/09/837472509.db2.gz NCMVKGKSMKHXHD-SDQBBNPISA-N 0 0 397.275 3.544 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000173201580 837598228 /nfs/dbraw/zinc/59/82/28/837598228.db2.gz OXHWRXDNOFKMPY-UHFFFAOYSA-N 0 0 395.434 3.905 20 10 GHCDRN CCOc1cc(CNC(=O)NCc2c(O)ccc3c2CCCC3)ccc1OC ZINC000176784549 834629420 /nfs/dbraw/zinc/62/94/20/834629420.db2.gz RDHHBKNTXZUYEZ-UHFFFAOYSA-N 0 0 384.476 3.678 20 10 GHCDRN Cc1ccc(/C=C\CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000255570813 834651830 /nfs/dbraw/zinc/65/18/30/834651830.db2.gz SAKKGXHLHFFBMU-IHWYPQMZSA-N 0 0 382.479 3.815 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccncc3Oc3ccccc3)CC2)cc1 ZINC001266269230 834683811 /nfs/dbraw/zinc/68/38/11/834683811.db2.gz XYIPWFCPNFYJQA-UHFFFAOYSA-N 0 0 389.455 3.845 20 10 GHCDRN Cc1cc(C(=O)N[C@H](CO)C2CCOCC2)c(C)n1-c1cccc(C(C)C)c1 ZINC000782841254 837805148 /nfs/dbraw/zinc/80/51/48/837805148.db2.gz WORVGRAQKGIFBV-JOCHJYFZSA-N 0 0 384.520 3.735 20 10 GHCDRN COc1cc(C)cc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1C ZINC000278389668 834933566 /nfs/dbraw/zinc/93/35/66/834933566.db2.gz BJHVWXVGTBEDSV-UHFFFAOYSA-N 0 0 397.519 3.842 20 10 GHCDRN CCc1ccc(-c2noc([C@@H](C)NCc3ccc([N+](=O)[O-])c(OC)c3O)n2)cc1 ZINC000278402125 834970934 /nfs/dbraw/zinc/97/09/34/834970934.db2.gz OHVZCNAFDUWWML-GFCCVEGCSA-N 0 0 398.419 3.772 20 10 GHCDRN O=C(c1ccccc1)c1ccc(O)c(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c1[O-] ZINC000728194633 835092571 /nfs/dbraw/zinc/09/25/71/835092571.db2.gz CXGMHBBXRFYSOE-QFIPXVFZSA-N 0 0 389.451 3.902 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)CC2)cc1 ZINC000102382102 835295543 /nfs/dbraw/zinc/29/55/43/835295543.db2.gz VGWQAUNVUOVFRC-HNNXBMFYSA-N 0 0 388.895 3.901 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1COc1ccccc1 ZINC000052730300 835363994 /nfs/dbraw/zinc/36/39/94/835363994.db2.gz ZRBYKKPZMOPLLM-UHFFFAOYSA-N 0 0 390.439 3.568 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCCNC(=O)NC1CCCCC1 ZINC000473260987 844101553 /nfs/dbraw/zinc/10/15/53/844101553.db2.gz PJEFLLUDGOZTTL-UHFFFAOYSA-N 0 0 384.524 3.515 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)C[C@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000179723480 835962339 /nfs/dbraw/zinc/96/23/39/835962339.db2.gz LICHQLCRKQBHSK-FQEVSTJZSA-N 0 0 388.895 3.511 20 10 GHCDRN CN(C)c1ccc(CNC(=O)Cc2cccc(OCc3cccnc3)c2)cc1 ZINC000179771348 835975517 /nfs/dbraw/zinc/97/55/17/835975517.db2.gz TZNBAZNTSQZSEI-UHFFFAOYSA-N 0 0 375.472 3.586 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)COc1ccccc1Br ZINC000471222551 835977476 /nfs/dbraw/zinc/97/74/76/835977476.db2.gz IGNCKBMMADKXNU-UHFFFAOYSA-N 0 0 387.277 3.944 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1nn(C(C)C)c(=O)c2ccccc21 ZINC000471223258 835992794 /nfs/dbraw/zinc/99/27/94/835992794.db2.gz PODNHGLCHGHQJR-UHFFFAOYSA-N 0 0 388.471 3.708 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1c2ccccc2nc2c1CN(C)CC2 ZINC000471229532 836040998 /nfs/dbraw/zinc/04/09/98/836040998.db2.gz YLRCAALLQHCQGF-UHFFFAOYSA-N 0 0 398.510 3.953 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000471233409 836082541 /nfs/dbraw/zinc/08/25/41/836082541.db2.gz AMCFWRWIPSTUPC-UHFFFAOYSA-N 0 0 396.878 3.600 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000151630747 836082843 /nfs/dbraw/zinc/08/28/43/836082843.db2.gz LHQZHONPELBVON-UHFFFAOYSA-N 0 0 391.475 3.577 20 10 GHCDRN C[C@@]1(c2ccccc2)CN(C(=O)NCc2ccc(N3CCCC3)cc2)CCO1 ZINC000177154605 836084156 /nfs/dbraw/zinc/08/41/56/836084156.db2.gz XEOIPJTZMAVLLG-QHCPKHFHSA-N 0 0 379.504 3.744 20 10 GHCDRN Cc1ccccc1CC(C)(C)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000728220329 836086584 /nfs/dbraw/zinc/08/65/84/836086584.db2.gz LORRTHLLCBEQLN-UHFFFAOYSA-N 0 0 399.510 3.791 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1ccc2ccccc2n1 ZINC000016134617 836119813 /nfs/dbraw/zinc/11/98/13/836119813.db2.gz FVUUHYQHEMKGLZ-JLHYYAGUSA-N 0 0 387.483 3.743 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)CSc1nc(-c2ccccc2)no1 ZINC000473275245 844131799 /nfs/dbraw/zinc/13/17/99/844131799.db2.gz HRYTVKTWNWLWKW-UHFFFAOYSA-N 0 0 392.484 3.945 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCCN2CCOCC2)cc1 ZINC000255044734 836203797 /nfs/dbraw/zinc/20/37/97/836203797.db2.gz OVURSMCESBCIRH-UHFFFAOYSA-N 0 0 395.507 3.620 20 10 GHCDRN CC(=O)N[C@@H](CC(=O)NCc1c(C)c2ccccc2n1C)c1ccc(F)cc1F ZINC000471241293 836230255 /nfs/dbraw/zinc/23/02/55/836230255.db2.gz FKYFODKYZUSMHJ-IBGZPJMESA-N 0 0 399.441 3.649 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ncoc3-c3ccc(C)cc3)CC2)cc1F ZINC000177284570 836267452 /nfs/dbraw/zinc/26/74/52/836267452.db2.gz LNGCZMGKNLLFDX-UHFFFAOYSA-N 0 0 395.434 3.760 20 10 GHCDRN O=C(NCc1cccc(Cl)c1O)[C@H](OC1CCOCC1)c1ccccc1 ZINC000890759453 836699925 /nfs/dbraw/zinc/69/99/25/836699925.db2.gz CAVDZICHBIJLQN-LJQANCHMSA-N 0 0 375.852 3.599 20 10 GHCDRN O=C1/C(=C\c2csc(-c3ccccn3)n2)SC(=S)N1Cc1ccon1 ZINC000255897939 836729233 /nfs/dbraw/zinc/72/92/33/836729233.db2.gz RYTXZYJXCSMFGY-NTUHNPAUSA-N 0 0 386.483 3.595 20 10 GHCDRN Cc1ccc(C(=O)N[C@H](C)c2cc(F)c(Br)cc2F)c(O)c1O ZINC001167205582 836903555 /nfs/dbraw/zinc/90/35/55/836903555.db2.gz RICYJFGGTMIXNS-MRVPVSSYSA-N 0 0 386.192 3.938 20 10 GHCDRN C[C@@H](Sc1nccs1)C(=O)Nc1cccc(I)c1 ZINC000048875812 837028598 /nfs/dbraw/zinc/02/85/98/837028598.db2.gz OREIPLUOMURGOR-MRVPVSSYSA-N 0 0 390.271 3.867 20 10 GHCDRN CCCCc1noc(COC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)n1 ZINC000728640714 837299169 /nfs/dbraw/zinc/29/91/69/837299169.db2.gz YGRDURKFYNENSM-UHFFFAOYSA-N 0 0 385.464 3.987 20 10 GHCDRN COc1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1 ZINC000164304609 837898157 /nfs/dbraw/zinc/89/81/57/837898157.db2.gz BFRNTWILKROGDH-UHFFFAOYSA-N 0 0 382.460 3.701 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCC[C@@H](OCCO)C2)cc1 ZINC000255113977 837954740 /nfs/dbraw/zinc/95/47/40/837954740.db2.gz OGCLPDLXIMJODT-LJQANCHMSA-N 0 0 396.491 3.782 20 10 GHCDRN COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000255116146 837976173 /nfs/dbraw/zinc/97/61/73/837976173.db2.gz XCSVEHXSPAEWDQ-IBGZPJMESA-N 0 0 380.448 3.946 20 10 GHCDRN CC(=O)c1cc(Cl)cc(CN2CCC(OC[C@@H]3CCCCO3)CC2)c1O ZINC000177584330 837982646 /nfs/dbraw/zinc/98/26/46/837982646.db2.gz PKHUYHDVKHATCL-SFHVURJKSA-N 0 0 381.900 3.798 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(OC)c(OC(F)F)c2)c1 ZINC000728949966 844304340 /nfs/dbraw/zinc/30/43/40/844304340.db2.gz XDXPEIYWLRKJND-NSHDSACASA-N 0 0 396.390 3.571 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000588407803 838368309 /nfs/dbraw/zinc/36/83/09/838368309.db2.gz WUYLCUBMZFCKMP-XYBJCVHJSA-N 0 0 395.480 3.935 20 10 GHCDRN CCCCN(CCCC)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000891087804 838400753 /nfs/dbraw/zinc/40/07/53/838400753.db2.gz YVEDVFUDAWKHPE-UHFFFAOYSA-N 0 0 388.556 3.500 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000471517684 838667483 /nfs/dbraw/zinc/66/74/83/838667483.db2.gz GBNGJHDFHKDOPD-OAHLLOKOSA-N 0 0 379.460 3.818 20 10 GHCDRN C[C@@H](CC(=O)NCc1ccc(N2CCOCC2)cc1)c1c[nH]c2ccccc21 ZINC000278824720 838928098 /nfs/dbraw/zinc/92/80/98/838928098.db2.gz PWIZBZPQKTYVRY-KRWDZBQOSA-N 0 0 377.488 3.815 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000580159957 838988521 /nfs/dbraw/zinc/98/85/21/838988521.db2.gz JONPQZVODFSQTH-IIBYNOLFSA-N 0 0 378.476 3.601 20 10 GHCDRN Cc1ccc(CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1O ZINC000378403664 839034275 /nfs/dbraw/zinc/03/42/75/839034275.db2.gz OOAGHFYEADZHGT-UHFFFAOYSA-N 0 0 390.430 3.630 20 10 GHCDRN CC1(C)CC(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000780388094 839127238 /nfs/dbraw/zinc/12/72/38/839127238.db2.gz VRRLDWDJXIDZOX-UHFFFAOYSA-N 0 0 381.467 3.992 20 10 GHCDRN COc1c(Br)c([N+](=O)[O-])c(N(C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000014215774 839227880 /nfs/dbraw/zinc/22/78/80/839227880.db2.gz UQQDBIOAEIIYCG-UHFFFAOYSA-N 0 0 386.158 3.504 20 10 GHCDRN Cc1cc(C(=O)CN2CC[C@H]([C@@H](C)O)C2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000183177437 839241447 /nfs/dbraw/zinc/24/14/47/839241447.db2.gz LHYWKDXUDLXQDK-CVEARBPZSA-N 0 0 392.446 3.581 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC[C@H]1C1CC1 ZINC000728751526 839340023 /nfs/dbraw/zinc/34/00/23/839340023.db2.gz UNXQYYHUQLVQCR-SFHVURJKSA-N 0 0 379.451 3.841 20 10 GHCDRN CCc1csc(-n2cc(C(=O)NCc3c(C)c4ccccc4n3C)cn2)n1 ZINC000548100793 839625294 /nfs/dbraw/zinc/62/52/94/839625294.db2.gz SZAXEHHMAFQIAH-UHFFFAOYSA-N 0 0 379.489 3.621 20 10 GHCDRN CCOc1ccccc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1 ZINC000275905017 839762577 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CCCN(Cc1ccccc1O)C(=O)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000066698311 840923054 /nfs/dbraw/zinc/92/30/54/840923054.db2.gz GPQAZRLVTWSXAF-UHFFFAOYSA-N 0 0 395.503 3.619 20 10 GHCDRN CC(=O)N1CCN(c2ccc(CNc3ccc4cc(Cl)cnc4n3)cc2)CC1 ZINC000893401003 840955560 /nfs/dbraw/zinc/95/55/60/840955560.db2.gz JCNZHLIHBCRHKV-UHFFFAOYSA-N 0 0 395.894 3.564 20 10 GHCDRN COc1ccc(CN(C)C(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1OC ZINC000198211523 840977429 /nfs/dbraw/zinc/97/74/29/840977429.db2.gz KPNAWGOUCUKXJK-UHFFFAOYSA-N 0 0 379.416 3.540 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(OC)c(OC)c2OC)cc1F ZINC000066841216 841002505 /nfs/dbraw/zinc/00/25/05/841002505.db2.gz UFNRUWQIINCYBA-UHFFFAOYSA-N 0 0 390.455 3.628 20 10 GHCDRN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)C=Cc1ccc(O)c(O)c1 ZINC000588405803 841024540 /nfs/dbraw/zinc/02/45/40/841024540.db2.gz XQTGERAABYXWAZ-NTMALXAHSA-N 0 0 395.434 3.731 20 10 GHCDRN COc1ccc2[nH]cc(C3=CCN(C(=O)/C=C\c4ccc(O)c(O)c4)CC3)c2c1 ZINC000588406329 841033300 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O=[N+]([O-])c1ccc(CS(=O)(=O)N(Cc2ccccc2O)C2CCCC2)cc1 ZINC000161775304 861232281 /nfs/dbraw/zinc/23/22/81/861232281.db2.gz VZAWRVOMPNWZIM-UHFFFAOYSA-N 0 0 390.461 3.575 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3csc(-c4ccccn4)n3)CC2)cc1 ZINC000171018332 861242161 /nfs/dbraw/zinc/24/21/61/861242161.db2.gz CFDKIYGCULPXIR-UHFFFAOYSA-N 0 0 394.500 3.613 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccccc1CSc1nc[nH]n1 ZINC000156324274 841904160 /nfs/dbraw/zinc/90/41/60/841904160.db2.gz QYFQLLGBGYGSSU-UHFFFAOYSA-N 0 0 394.500 3.611 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3ccc4[nH]ccc4c3)cc2F)C[C@H](C)O1 ZINC000730772588 861268946 /nfs/dbraw/zinc/26/89/46/861268946.db2.gz NLKXYBXBMLDFAO-GASCZTMLSA-N 0 0 381.451 3.851 20 10 GHCDRN CCN(CC(=O)Nc1cc(C)nn1-c1ccccc1F)c1ccc(OC)cc1 ZINC001167834313 842245686 /nfs/dbraw/zinc/24/56/86/842245686.db2.gz FBTVMXLOFNLSBO-UHFFFAOYSA-N 0 0 382.439 3.793 20 10 GHCDRN CCN(CC)C(=O)c1cccc(NC(=O)COc2ccc(N3CCCC3)cc2)c1 ZINC000178194862 842444331 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CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCCC[C@@H]2c2ccccc2)c1 ZINC000094019666 843081949 /nfs/dbraw/zinc/08/19/49/843081949.db2.gz MSOMAQPNFVSDHJ-GOSISDBHSA-N 0 0 388.489 3.521 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)c2occc21 ZINC000933824998 843338144 /nfs/dbraw/zinc/33/81/44/843338144.db2.gz PMWQPVWVJLTGSW-UHFFFAOYSA-N 0 0 386.398 3.602 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)[C@H]3CCCN3C(=O)CC(C)(C)C)cc2)CC1 ZINC000731015742 861408139 /nfs/dbraw/zinc/40/81/39/861408139.db2.gz DHHBNZRENCZTJN-OAQYLSRUSA-N 0 0 399.579 3.966 20 10 GHCDRN COc1cccc(COCC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000731016013 861410753 /nfs/dbraw/zinc/41/07/53/861410753.db2.gz BZBVAQYCLRATPN-UHFFFAOYSA-N 0 0 382.504 3.765 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccccc1CS(C)(=O)=O ZINC000282432734 861413765 /nfs/dbraw/zinc/41/37/65/861413765.db2.gz HTSLXVCHBGRNLE-UHFFFAOYSA-N 0 0 390.505 3.771 20 10 GHCDRN COc1cccc(CCNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000731047998 861418297 /nfs/dbraw/zinc/41/82/97/861418297.db2.gz BUFZTXUJJRRSKM-UHFFFAOYSA-N 0 0 381.520 3.973 20 10 GHCDRN O=C1CCCN1c1cnc(N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)cn1 ZINC000663393206 843477584 /nfs/dbraw/zinc/47/75/84/843477584.db2.gz AKWSIMMDNSGTNI-UHFFFAOYSA-N 0 0 377.423 3.518 20 10 GHCDRN CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(N)cc2)[C@H]1c1ccccc1OC ZINC000236775266 843876769 /nfs/dbraw/zinc/87/67/69/843876769.db2.gz ZGGPTPGCHFWMMY-SIKLNZKXSA-N 0 0 395.503 3.996 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)NCc3cn4ccsc4n3)cc2)CC1 ZINC000731115401 861476791 /nfs/dbraw/zinc/47/67/91/861476791.db2.gz DZKDMJRSKGDZBE-UHFFFAOYSA-N 0 0 383.521 3.632 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(OCc3cccnc3)c2)c1 ZINC000728981982 844667348 /nfs/dbraw/zinc/66/73/48/844667348.db2.gz GWVGQXNDDFJDKA-OAHLLOKOSA-N 0 0 378.428 3.866 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)CCc2nc(-c3ccc(F)c(C)c3)no2)c1 ZINC000728982048 844667734 /nfs/dbraw/zinc/66/77/34/844667734.db2.gz IXKCGWIYRZZBAL-ZDUSSCGKSA-N 0 0 399.422 3.708 20 10 GHCDRN COCCOc1c(Cl)cccc1NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000729038366 844694632 /nfs/dbraw/zinc/69/46/32/844694632.db2.gz PWBOGOXFTOWZAN-GFCCVEGCSA-N 0 0 394.855 3.962 20 10 GHCDRN CCN(CC)C(=O)c1ccccc1NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000729038468 844695013 /nfs/dbraw/zinc/69/50/13/844695013.db2.gz UUIRBUBXCKHDPJ-CQSZACIVSA-N 0 0 385.464 3.766 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000729063726 844703020 /nfs/dbraw/zinc/70/30/20/844703020.db2.gz LBAXJFGNQFNNTI-SNVBAGLBSA-N 0 0 396.415 3.531 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)NCCN(C)C(=O)OC(C)(C)C)cc1 ZINC000729229384 844795160 /nfs/dbraw/zinc/79/51/60/844795160.db2.gz YVPZFRXCIMSEAQ-UHFFFAOYSA-N 0 0 392.544 3.541 20 10 GHCDRN Cc1cc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c(Cl)cc1F ZINC000759989140 844904398 /nfs/dbraw/zinc/90/43/98/844904398.db2.gz MESQGWXJAHVKTQ-UHFFFAOYSA-N 0 0 392.858 3.669 20 10 GHCDRN CC(=O)Nc1cccc(OCCNC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 ZINC000729381069 844906496 /nfs/dbraw/zinc/90/64/96/844906496.db2.gz ACTMBDYVGCCMRV-UHFFFAOYSA-N 0 0 391.471 3.861 20 10 GHCDRN CC[C@@H](CNC(=O)Cc1ccc(N)cc1)Cc1cccc(Br)c1 ZINC000236960853 844984529 /nfs/dbraw/zinc/98/45/29/844984529.db2.gz LJZBXMKPIXTHSR-CQSZACIVSA-N 0 0 375.310 3.959 20 10 GHCDRN O=C(Cc1ccc(O)c(Cl)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000866897684 845333689 /nfs/dbraw/zinc/33/36/89/845333689.db2.gz FTUSQKBOOYJQDC-INIZCTEOSA-N 0 0 375.852 3.502 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2Cc3ccc(C(=O)OC)cc3C2)cc1F ZINC000731363800 861574811 /nfs/dbraw/zinc/57/48/11/861574811.db2.gz AKQCKMSBCVDHEC-UHFFFAOYSA-N 0 0 399.466 3.684 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)CCc2ccc3c(c2)OCCO3)cc1F ZINC000731346947 861581762 /nfs/dbraw/zinc/58/17/62/861581762.db2.gz CWBDYAITYGSQJP-UHFFFAOYSA-N 0 0 386.467 3.692 20 10 GHCDRN CC[C@@H](Cc1cccc(Br)c1)C(=O)NCCc1ccc(N)cc1 ZINC000237020569 845604243 /nfs/dbraw/zinc/60/42/43/845604243.db2.gz LZSFQCPNRRVNNJ-INIZCTEOSA-N 0 0 375.310 3.959 20 10 GHCDRN Cc1cc(C(=O)NC[C@@]2(C)CCCO2)c(C)n1-c1ccc(Br)cn1 ZINC000843818771 861605004 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ZINC000786762081 876916601 /nfs/dbraw/zinc/91/66/01/876916601.db2.gz SBISGCJUILWFEO-KRWDZBQOSA-N 0 0 387.446 3.690 20 10 GHCDRN C[C@H](NC(=O)CCCc1ccc(O)c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000786828340 876948088 /nfs/dbraw/zinc/94/80/88/876948088.db2.gz UVOFOMGTBXYRRX-INIZCTEOSA-N 0 0 386.467 3.568 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000850556537 877022883 /nfs/dbraw/zinc/02/28/83/877022883.db2.gz KQFUEIBGTPVUSP-BTDLBPIBSA-N 0 0 384.259 3.870 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)c3cnn(CC(F)(F)F)c3)cc2)CC1 ZINC000786923000 877031369 /nfs/dbraw/zinc/03/13/69/877031369.db2.gz LWOOUCCBHPALDA-UHFFFAOYSA-N 0 0 380.414 3.612 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N(CCOC)Cc2scnc2C)cc1 ZINC000787001385 877073744 /nfs/dbraw/zinc/07/37/44/877073744.db2.gz OEPOANIVPKJIIR-UHFFFAOYSA-N 0 0 390.553 3.656 20 10 GHCDRN O=C(NC[C@H](CO)CC1CC1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000850666700 877090303 /nfs/dbraw/zinc/09/03/03/877090303.db2.gz CPFIFEHEAHSOTF-MRXNPFEDSA-N 0 0 380.448 3.565 20 10 GHCDRN CC(=O)N[C@@H](CC(=O)NCc1ccc2c(c1)CCCN2C)c1ccc(Cl)cc1 ZINC000109459837 877100598 /nfs/dbraw/zinc/10/05/98/877100598.db2.gz XUMNVVOFYPYPJY-FQEVSTJZSA-N 0 0 399.922 3.606 20 10 GHCDRN Cc1cc(CNC(=O)N[C@@H](c2nncn2C)C(C)C)c(C)n1-c1cccc(C)c1 ZINC000858447063 883102129 /nfs/dbraw/zinc/10/21/29/883102129.db2.gz PUSUCDSDTKWAKB-HXUWFJFHSA-N 0 0 394.523 3.728 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1cc(Br)cc(F)c1[O-] ZINC000858449707 883105020 /nfs/dbraw/zinc/10/50/20/883105020.db2.gz RPXMLDNVPJODLQ-PRHODGIISA-N 0 0 396.182 3.945 20 10 GHCDRN CC(C)(C)OC(=O)N1CC(CCC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000858451804 883107666 /nfs/dbraw/zinc/10/76/66/883107666.db2.gz CNTSPYNALUEEJU-UHFFFAOYSA-N 0 0 387.524 3.550 20 10 GHCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000787218129 877230582 /nfs/dbraw/zinc/23/05/82/877230582.db2.gz KRZXYHSAJIOGOJ-NZSAHSFTSA-N 0 0 380.488 3.774 20 10 GHCDRN Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)c(C)n1[C@@H]1CCCOC1 ZINC000858452943 883109308 /nfs/dbraw/zinc/10/93/08/883109308.db2.gz QMPYQDHJHLKNLN-OAQYLSRUSA-N 0 0 381.520 3.987 20 10 GHCDRN Cc1ccc(-n2ncc(C(=O)NCc3ccccc3O)c2C(F)(F)F)cc1 ZINC000109678212 877315108 /nfs/dbraw/zinc/31/51/08/877315108.db2.gz VPJDCEVQZMPVJH-UHFFFAOYSA-N 0 0 375.350 3.835 20 10 GHCDRN COc1cccc(CNC(=O)NCc2ccnc(Oc3ccccc3F)c2)c1O ZINC000787397748 877394029 /nfs/dbraw/zinc/39/40/29/877394029.db2.gz XVVRGUBRYXLXNE-UHFFFAOYSA-N 0 0 397.406 3.727 20 10 GHCDRN CN(C)c1ccc(CNC(=O)CSc2nnc(Nc3ccccc3)s2)cc1 ZINC000007733789 877414583 /nfs/dbraw/zinc/41/45/83/877414583.db2.gz XZZUSIRACZNQBD-UHFFFAOYSA-N 0 0 399.545 3.756 20 10 GHCDRN Cc1cc(C(=O)N2CCC(Oc3cnccn3)CC2)c(C)n1-c1cccc(C)c1 ZINC000787599856 877517912 /nfs/dbraw/zinc/51/79/12/877517912.db2.gz ZDRDYZQOXLHRRV-UHFFFAOYSA-N 0 0 390.487 3.876 20 10 GHCDRN Cc1cc(C(=O)Nc2ccc(C)c(N3CCNC3=O)c2)c(C)n1-c1ccccn1 ZINC000787700492 877565141 /nfs/dbraw/zinc/56/51/41/877565141.db2.gz XDHNBZDNDNDHQQ-UHFFFAOYSA-N 0 0 389.459 3.579 20 10 GHCDRN C[C@@H]1CCc2ccccc2[C@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000179629665 877764084 /nfs/dbraw/zinc/76/40/84/877764084.db2.gz JQVOMZWEIYDEDZ-JPYJTQIMSA-N 0 0 393.531 3.988 20 10 GHCDRN CN(C)c1ccc(CNC(=O)NCCc2ccc(OC(F)(F)F)cc2)cc1F ZINC000746722644 877767194 /nfs/dbraw/zinc/76/71/94/877767194.db2.gz XDMXDERPHXEPAH-UHFFFAOYSA-N 0 0 399.388 3.832 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NC[C@@H](c2ccnn2C)C(C)C)cc1F ZINC000788102698 877815013 /nfs/dbraw/zinc/81/50/13/877815013.db2.gz KHTWRXUNVDKNOC-QGZVFWFLSA-N 0 0 389.519 3.644 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(C)c(N3CCOC3=O)c2)c1 ZINC000746732808 877875498 /nfs/dbraw/zinc/87/54/98/877875498.db2.gz NAIOHEQVYXKJKN-CYBMUJFWSA-N 0 0 385.420 3.549 20 10 GHCDRN CCOc1ccc([C@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000851912295 877973347 /nfs/dbraw/zinc/97/33/47/877973347.db2.gz KMENCCFDSRFBGS-KRWDZBQOSA-N 0 0 397.519 3.607 20 10 GHCDRN Cc1cc(C(=O)CN(C)CCCCO)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000788281618 877991520 /nfs/dbraw/zinc/99/15/20/877991520.db2.gz MQTILELFEUVQEE-UHFFFAOYSA-N 0 0 382.426 4.000 20 10 GHCDRN Cc1nn(C)c(C)c1CCCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000179771164 877996601 /nfs/dbraw/zinc/99/66/01/877996601.db2.gz LEXFRLQEBBZARB-UHFFFAOYSA-N 0 0 397.567 3.801 20 10 GHCDRN CC(C)[C@H](CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000851956410 877997775 /nfs/dbraw/zinc/99/77/75/877997775.db2.gz ASFKPMDYGOWHOA-QHCPKHFHSA-N 0 0 395.547 3.887 20 10 GHCDRN CC(C)[C@@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccnn1C ZINC000788318033 878016199 /nfs/dbraw/zinc/01/61/99/878016199.db2.gz GIKHQIGTSLTQSY-LJQANCHMSA-N 0 0 396.491 3.870 20 10 GHCDRN C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000851986926 878017730 /nfs/dbraw/zinc/01/77/30/878017730.db2.gz IKIWOUOEHNMWLR-WMLDXEAASA-N 0 0 385.430 3.538 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC(c2ccco2)CC1 ZINC000851991050 878019783 /nfs/dbraw/zinc/01/97/83/878019783.db2.gz CMBFXHHLTKSCBU-UHFFFAOYSA-N 0 0 385.533 3.922 20 10 GHCDRN Cc1cc(F)ccc1C[C@H](C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000852012117 878030517 /nfs/dbraw/zinc/03/05/17/878030517.db2.gz DXCVSSQSCYBFPW-ZWKOTPCHSA-N 0 0 399.510 3.962 20 10 GHCDRN C[C@@H](NC(=O)N(C)C[C@H]1CCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000852011789 878030935 /nfs/dbraw/zinc/03/09/35/878030935.db2.gz AAXZWWXLCCDGFI-WIYYLYMNSA-N 0 0 393.531 3.956 20 10 GHCDRN Cc1ccccc1O[C@@H](C)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761486974 878041634 /nfs/dbraw/zinc/04/16/34/878041634.db2.gz RRDKGCDEKODWCP-AWEZNQCLSA-N 0 0 388.851 3.586 20 10 GHCDRN O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000237829342 878086500 /nfs/dbraw/zinc/08/65/00/878086500.db2.gz XMXPAECRIVIFOO-UHFFFAOYSA-N 0 0 395.381 3.740 20 10 GHCDRN C[C@H](Nc1ccc2c(c1)CN(CC(N)=O)CC2)c1cc(Cl)c(Cl)cc1O ZINC000788610196 878167086 /nfs/dbraw/zinc/16/70/86/878167086.db2.gz RZODRZFLAQOKLD-NSHDSACASA-N 0 0 394.302 3.716 20 10 GHCDRN CCC(CC)[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCO1 ZINC000852246538 878168247 /nfs/dbraw/zinc/16/82/47/878168247.db2.gz KMEPNMRNEAACFK-LQWHRVPQSA-N 0 0 389.540 3.557 20 10 GHCDRN C[C@H](NC(=O)N[C@H]1CCc2ccccc2-n2ccnc21)c1ccc(N(C)C)cc1 ZINC000852261102 878181754 /nfs/dbraw/zinc/18/17/54/878181754.db2.gz KPOMABNFUAMHPN-JXFKEZNVSA-N 0 0 389.503 3.986 20 10 GHCDRN O=C(NCc1ccc(C2CCC2)cc1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852280737 878195428 /nfs/dbraw/zinc/19/54/28/878195428.db2.gz VWZXZDBMXZYMGW-UHFFFAOYSA-N 0 0 393.531 3.915 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)NCCC3CC(OC(C)(C)C)C3)C2)cc1 ZINC000852281025 878196992 /nfs/dbraw/zinc/19/69/92/878196992.db2.gz NTRZMLZGXFZKIS-OHTSDLOESA-N 0 0 389.540 3.557 20 10 GHCDRN C[C@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000788652970 878218320 /nfs/dbraw/zinc/21/83/20/878218320.db2.gz UMUDEDWZSHVACM-NSHDSACASA-N 0 0 388.411 3.633 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N3CCOc4ccccc4[C@H]3C)C2)cc1 ZINC000852386917 878295169 /nfs/dbraw/zinc/29/51/69/878295169.db2.gz MQSPXDMCVLIYDP-MSOLQXFVSA-N 0 0 395.503 3.687 20 10 GHCDRN C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000788749394 878322305 /nfs/dbraw/zinc/32/23/05/878322305.db2.gz FHOFNSWGXRFPGF-LBPRGKRZSA-N 0 0 399.388 3.633 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@H](CC(F)(F)F)C3)C2)cc1 ZINC000852450132 878330324 /nfs/dbraw/zinc/33/03/24/878330324.db2.gz ZNVMDWFSEDBUMY-HUUCEWRRSA-N 0 0 385.430 3.648 20 10 GHCDRN COc1ccc([C@@H](C)N(C)C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000852456154 878336048 /nfs/dbraw/zinc/33/60/48/878336048.db2.gz YDFVLIXWBZGGSX-AEFFLSMTSA-N 0 0 383.492 3.685 20 10 GHCDRN Cc1ccc(CCNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1C ZINC000852538355 878408971 /nfs/dbraw/zinc/40/89/71/878408971.db2.gz ZUFOREBTNHKMKE-UHFFFAOYSA-N 0 0 381.520 3.524 20 10 GHCDRN CN1CCCc2cc(CNC(=O)NC[C@H]3CCCN(c4ccccc4)C3)ccc21 ZINC000788929670 878427154 /nfs/dbraw/zinc/42/71/54/878427154.db2.gz WHNFREMPJVDQKJ-HXUWFJFHSA-N 0 0 392.547 3.785 20 10 GHCDRN CC1(C)CC(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC(C)(C)C1 ZINC000788931431 878428181 /nfs/dbraw/zinc/42/81/81/878428181.db2.gz FRSSZAPWVAUNKY-UHFFFAOYSA-N 0 0 385.552 3.624 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1C[C@H]1c1ccccc1Cl ZINC000852606562 878463202 /nfs/dbraw/zinc/46/32/02/878463202.db2.gz FTDHJHPBMBVNAV-PZJWPPBQSA-N 0 0 399.922 3.874 20 10 GHCDRN C[C@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788933200 878479732 /nfs/dbraw/zinc/47/97/32/878479732.db2.gz TXDZDILSIPERBT-MRXNPFEDSA-N 0 0 399.922 3.776 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCCCC[C@H]1c1ccco1 ZINC000788935787 878483029 /nfs/dbraw/zinc/48/30/29/878483029.db2.gz FNOAMXWQZMFMFT-FQEVSTJZSA-N 0 0 395.503 3.640 20 10 GHCDRN CSC1(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC1 ZINC000789047636 878530242 /nfs/dbraw/zinc/53/02/42/878530242.db2.gz ZTVPJAQZAYAOIU-CQSZACIVSA-N 0 0 399.507 3.842 20 10 GHCDRN Cc1cccc(OCCN(C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000068480112 878610638 /nfs/dbraw/zinc/61/06/38/878610638.db2.gz NPKRUWHVPVXEFT-IBGZPJMESA-N 0 0 397.519 3.613 20 10 GHCDRN COc1ccc([C@H](C)N(C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000068480478 878612205 /nfs/dbraw/zinc/61/22/05/878612205.db2.gz GEYZQRHVUDQNQI-MSOLQXFVSA-N 0 0 397.519 3.995 20 10 GHCDRN CCOC(=O)c1ccnc(N(Cc2ccco2)Cc2ccccc2O)c1[N+](=O)[O-] ZINC000180180981 878618174 /nfs/dbraw/zinc/61/81/74/878618174.db2.gz DNCCGJGASYVYMP-UHFFFAOYSA-N 0 0 397.387 3.672 20 10 GHCDRN COc1cccc(CNC(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)c1O ZINC000068489063 878631929 /nfs/dbraw/zinc/63/19/29/878631929.db2.gz CFGPFPLBOWYFBF-UHFFFAOYSA-N 0 0 392.455 3.922 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](N)c1ccccc1Br ZINC000852882558 878643980 /nfs/dbraw/zinc/64/39/80/878643980.db2.gz LETMHULZXHDNLC-GOSISDBHSA-N 0 0 390.325 3.564 20 10 GHCDRN CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC000789174219 878698910 /nfs/dbraw/zinc/69/89/10/878698910.db2.gz SHQGDFIVCKCIRV-LJQANCHMSA-N 0 0 399.535 3.550 20 10 GHCDRN C[C@@H](NC(=O)N1CCC[C@@H]1c1ccccn1)c1ccc(N2CCOCC2)cc1 ZINC000068549107 878727428 /nfs/dbraw/zinc/72/74/28/878727428.db2.gz XTDDCNULEGAGDY-DYESRHJHSA-N 0 0 380.492 3.526 20 10 GHCDRN C[C@@H](NC(=O)Nc1ccc2oc(=O)ccc2c1)c1ccc(N2CCOCC2)cc1 ZINC000068652455 878818566 /nfs/dbraw/zinc/81/85/66/878818566.db2.gz MNLLCOWLQKLMGF-OAHLLOKOSA-N 0 0 393.443 3.512 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Cc2cccc(OCc3cccnc3)c2)c1 ZINC000180439017 878876103 /nfs/dbraw/zinc/87/61/03/878876103.db2.gz HMVDFVSLFJPZGJ-INIZCTEOSA-N 0 0 392.455 3.795 20 10 GHCDRN Cc1c(C(=O)NCc2ccc(N(C)C)c(F)c2)cnn1-c1cccc(Cl)c1 ZINC000746805035 878878947 /nfs/dbraw/zinc/87/89/47/878878947.db2.gz HTTGVMGAQWMEPP-UHFFFAOYSA-N 0 0 386.858 3.969 20 10 GHCDRN CC[C@@H](CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000853239858 878922970 /nfs/dbraw/zinc/92/29/70/878922970.db2.gz DOYZKLAALDFTAO-IBGZPJMESA-N 0 0 381.520 3.641 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](c3ccco3)c3ccccc3)C2)cc1 ZINC000853249152 878931958 /nfs/dbraw/zinc/93/19/58/878931958.db2.gz NUNMJUZEZAQVAA-XMSQKQJNSA-N 0 0 391.471 3.956 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000853435008 879015803 /nfs/dbraw/zinc/01/58/03/879015803.db2.gz GUNUBBKEURICQA-PWRODBHTSA-N 0 0 397.519 3.516 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@@H](C2CCC2)C1 ZINC000853452117 879029279 /nfs/dbraw/zinc/02/92/79/879029279.db2.gz FNGKELPOFIYOMP-GOSISDBHSA-N 0 0 389.515 3.509 20 10 GHCDRN CCOC(=O)[C@H](Cc1ccccn1)NCc1cc(-c2ccccc2)ccc1O ZINC000763481097 879042860 /nfs/dbraw/zinc/04/28/60/879042860.db2.gz RBTGBKWMHRDLCW-NRFANRHFSA-N 0 0 376.456 3.718 20 10 GHCDRN O=C1CCC[C@H]1[C@@H]1COCCN1Cc1ccc(OCc2ccccc2)cc1O ZINC000789563122 879089965 /nfs/dbraw/zinc/08/99/65/879089965.db2.gz HNEZXGYMKIVDMF-SFTDATJTSA-N 0 0 381.472 3.541 20 10 GHCDRN O=C1CCC[C@H]1[C@H]1COCCN1Cc1ccc(OCc2ccccc2)cc1O ZINC000789563119 879090168 /nfs/dbraw/zinc/09/01/68/879090168.db2.gz HNEZXGYMKIVDMF-LEWJYISDSA-N 0 0 381.472 3.541 20 10 GHCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[C@@H]1CC(=O)c2ccccc21 ZINC000789625247 879098087 /nfs/dbraw/zinc/09/80/87/879098087.db2.gz CQIZOTHCTBNSSL-HXUWFJFHSA-N 0 0 381.387 3.771 20 10 GHCDRN C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180652606 879103569 /nfs/dbraw/zinc/10/35/69/879103569.db2.gz SETMHYBZJJNZKG-NTGJLGNYSA-N 0 0 394.471 3.868 20 10 GHCDRN CCc1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cnn1C1CCCC1 ZINC000789606410 879108844 /nfs/dbraw/zinc/10/88/44/879108844.db2.gz VZKLNQNKNKOEFW-UHFFFAOYSA-N 0 0 382.508 3.532 20 10 GHCDRN CC(C)(C)c1nnc2n1CCN(Cc1c3c(ccc1O)oc1c3CCCC1)C2 ZINC000853615295 879170279 /nfs/dbraw/zinc/17/02/79/879170279.db2.gz DMXLPCLMIZTJDQ-UHFFFAOYSA-N 0 0 380.492 3.922 20 10 GHCDRN CS(=O)(=O)Nc1ccc(-c2noc(-c3ccc(-n4cccc4)c(F)c3)n2)cc1 ZINC000761526481 879234574 /nfs/dbraw/zinc/23/45/74/879234574.db2.gz DUCPFBZXCMOGGR-UHFFFAOYSA-N 0 0 398.419 3.705 20 10 GHCDRN C[C@H]1Cc2ccccc2[C@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000111534796 879248328 /nfs/dbraw/zinc/24/83/28/879248328.db2.gz OCQHUFITOMXPLZ-SBUREZEXSA-N 0 0 393.531 3.628 20 10 GHCDRN O=C(NCc1ccc(O)c(O)c1)c1ccccc1C(=O)c1ccc(F)c(F)c1 ZINC000180736695 879280399 /nfs/dbraw/zinc/28/03/99/879280399.db2.gz AZHMOHPSBVCBTO-UHFFFAOYSA-N 0 0 383.350 3.537 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCC(=O)c1ccc(OC)c(OC)c1 ZINC000789863091 879323376 /nfs/dbraw/zinc/32/33/76/879323376.db2.gz PGVMSBUSPKUMJH-UHFFFAOYSA-N 0 0 398.503 3.781 20 10 GHCDRN C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)[C@H](Cc2ccccc2)N(C2CC2)C1=O ZINC000761572442 879327010 /nfs/dbraw/zinc/32/70/10/879327010.db2.gz AMUJMUJJODAFSF-KKSFZXQISA-N 0 0 377.488 3.852 20 10 GHCDRN COC(COCCNC(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C)OC ZINC000789913927 879330689 /nfs/dbraw/zinc/33/06/89/879330689.db2.gz ZTSPIDIRHAOFPP-UHFFFAOYSA-N 0 0 388.508 3.583 20 10 GHCDRN Cc1csc(C[C@H]2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)C2)n1 ZINC000914180123 879365101 /nfs/dbraw/zinc/36/51/01/879365101.db2.gz FTOVEJAZAKEEQB-GOSISDBHSA-N 0 0 384.549 3.826 20 10 GHCDRN CC(C)c1nc(C(=O)NCCc2ccc(N)cc2)nn1-c1ccccc1Cl ZINC000152543021 879381260 /nfs/dbraw/zinc/38/12/60/879381260.db2.gz NFIRPRRTCJCQTM-UHFFFAOYSA-N 0 0 383.883 3.599 20 10 GHCDRN OC1CCN(c2ccc(CNc3nnc(Cc4ccc(F)cc4)s3)cc2)CC1 ZINC000853955143 879398227 /nfs/dbraw/zinc/39/82/27/879398227.db2.gz HBHRCQLGJRZMSQ-UHFFFAOYSA-N 0 0 398.507 3.841 20 10 GHCDRN COc1ccc(CCN2C(=O)/C(=C/c3cccc(OC)n3)SC2=S)cc1 ZINC000790106288 879442599 /nfs/dbraw/zinc/44/25/99/879442599.db2.gz BBAYXVKSVIQZQV-VBKFSLOCSA-N 0 0 386.498 3.543 20 10 GHCDRN COc1cccc(/C=C2\SC(=S)N([C@H]3CCOc4ccccc43)C2=O)n1 ZINC000790107734 879442876 /nfs/dbraw/zinc/44/28/76/879442876.db2.gz JVXULAIOJDDUFE-HNDQUVLASA-N 0 0 384.482 3.815 20 10 GHCDRN CCN(C)c1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cn1 ZINC000790107427 879443109 /nfs/dbraw/zinc/44/31/09/879443109.db2.gz HDNKBUZTSFXOFN-PXNMLYILSA-N 0 0 399.497 3.672 20 10 GHCDRN COc1cccc(/C=C2/SC(=S)N(CCCN(C)c3ccccc3)C2=O)n1 ZINC000790108804 879444562 /nfs/dbraw/zinc/44/45/62/879444562.db2.gz VRFOVEYUMKKDBA-SAPNQHFASA-N 0 0 399.541 3.818 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)Cc2ccc(OCc3ccccn3)cc2)cc1 ZINC000152606147 879458741 /nfs/dbraw/zinc/45/87/41/879458741.db2.gz XTKFHGBVVQQCSL-UHFFFAOYSA-N 0 0 389.499 3.928 20 10 GHCDRN Cc1nc2c(s1)[C@@H](N(C)C(=O)NCc1ccc(N(C)C)c(F)c1)CCC2 ZINC000111845255 879464481 /nfs/dbraw/zinc/46/44/81/879464481.db2.gz BBGBCBZLMAZQCU-KRWDZBQOSA-N 0 0 376.501 3.876 20 10 GHCDRN CCN(C)c1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cn1 ZINC000790100795 879464855 /nfs/dbraw/zinc/46/48/55/879464855.db2.gz IJZDLAISEYTMEC-LFIBNONCSA-N 0 0 385.514 3.952 20 10 GHCDRN C[C@H](Cc1ccccc1Br)NC(=O)N(C)Cc1ccccc1O ZINC000152633480 879502579 /nfs/dbraw/zinc/50/25/79/879502579.db2.gz AZOXACGOTFJQPL-CYBMUJFWSA-N 0 0 377.282 3.927 20 10 GHCDRN CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180989282 879564515 /nfs/dbraw/zinc/56/45/15/879564515.db2.gz OBIWAMTUEPHGBI-ACCUITESSA-N 0 0 391.471 3.603 20 10 GHCDRN C[C@@H](c1ccco1)N(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000069103891 879574294 /nfs/dbraw/zinc/57/42/94/879574294.db2.gz WDYHBONCTHSQBI-XHSDSOJGSA-N 0 0 389.471 3.935 20 10 GHCDRN CSc1cc(O)ccc1NS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000790346269 879616904 /nfs/dbraw/zinc/61/69/04/879616904.db2.gz KOZPMTNKHNOZCU-UHFFFAOYSA-N 0 0 379.381 3.655 20 10 GHCDRN COc1ccc(O)c(CNc2cccc(N(CC(N)=O)Cc3ccccc3)c2)c1 ZINC000181046265 879632769 /nfs/dbraw/zinc/63/27/69/879632769.db2.gz YVLIFTMKARBHBT-UHFFFAOYSA-N 0 0 391.471 3.505 20 10 GHCDRN CCOc1cc(O)ccc1NS(=O)(=O)/C=C/c1ccccc1Br ZINC000790410839 879688544 /nfs/dbraw/zinc/68/85/44/879688544.db2.gz DKTMNAJRTPOBQB-MDZDMXLPSA-N 0 0 398.278 3.966 20 10 GHCDRN COCC1(C)CN(C(=O)c2cc(C)n(-c3ccccc3Br)c2C)C1 ZINC000790423525 879705137 /nfs/dbraw/zinc/70/51/37/879705137.db2.gz VNNVVSIOFPKPEQ-UHFFFAOYSA-N 0 0 391.309 3.965 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)Nc1ccc2ncsc2c1 ZINC000854313631 879713640 /nfs/dbraw/zinc/71/36/40/879713640.db2.gz AHICGGNBTRWYHY-UHFFFAOYSA-N 0 0 382.489 3.579 20 10 GHCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)[C@@H]1CCc2ccccc2[C@@H]1O ZINC001183382648 912496447 /nfs/dbraw/zinc/49/64/47/912496447.db2.gz KFBJDBSPAZNONY-GDPBGRNUSA-N 0 0 387.443 3.901 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3cccc4c3OCC[C@@H]4OC)CC2)cc1 ZINC000790571993 879829064 /nfs/dbraw/zinc/82/90/64/879829064.db2.gz ICSQCEMFGPTSTO-FQEVSTJZSA-N 0 0 397.475 3.519 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(Oc2cccnc2)nc1 ZINC000152886768 879864075 /nfs/dbraw/zinc/86/40/75/879864075.db2.gz CIMBAAWUWOAJGO-UHFFFAOYSA-N 0 0 377.448 3.965 20 10 GHCDRN COc1ccc([C@H](CN(C)C)[NH2+]Cc2cc(C)cc(Br)c2[O-])cc1 ZINC000790653384 879917557 /nfs/dbraw/zinc/91/75/57/879917557.db2.gz SITVDWJMUJDMOI-SFHVURJKSA-N 0 0 393.325 3.864 20 10 GHCDRN COc1ccc(CC[C@H]2CCCCN2C(=O)c2cccc(O)c2O)cc1OC ZINC000790861077 880059401 /nfs/dbraw/zinc/05/94/01/880059401.db2.gz HMVCRZQVDHHKGL-MRXNPFEDSA-N 0 0 385.460 3.743 20 10 GHCDRN CCC(C)(C)c1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000790921422 880063986 /nfs/dbraw/zinc/06/39/86/880063986.db2.gz HMGZJSMYSVUKJE-UHFFFAOYSA-N 0 0 385.483 3.834 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(OCC(F)F)ccn1 ZINC000181194608 880070083 /nfs/dbraw/zinc/07/00/83/880070083.db2.gz HHXNYPKRROKOFB-UHFFFAOYSA-N 0 0 389.446 3.988 20 10 GHCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000790955196 880099796 /nfs/dbraw/zinc/09/97/96/880099796.db2.gz CJWFNBAUXDNKJP-UHFFFAOYSA-N 0 0 388.620 3.966 20 10 GHCDRN CCN(C)c1ccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cn1 ZINC000790965279 880107077 /nfs/dbraw/zinc/10/70/77/880107077.db2.gz BMXNDLIFEPPXAI-IBGZPJMESA-N 0 0 388.943 3.651 20 10 GHCDRN COc1ccc([C@@H]2C[C@H]2CC(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000854981179 880194748 /nfs/dbraw/zinc/19/47/48/880194748.db2.gz LMIMRUJKMFABFU-FHJLPGHOSA-N 0 0 394.515 3.840 20 10 GHCDRN Cc1cc(C(=O)NCc2noc(C(F)(F)F)n2)c(C)n1-c1ccccc1C ZINC000791165622 880250433 /nfs/dbraw/zinc/25/04/33/880250433.db2.gz YHLYJPWWTCTHEA-UHFFFAOYSA-N 0 0 378.354 3.734 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(F)ccc1F ZINC000791249395 880283703 /nfs/dbraw/zinc/28/37/03/880283703.db2.gz FXJOHLZHEVNKHN-UHFFFAOYSA-N 0 0 390.430 3.967 20 10 GHCDRN C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)c1ncccc1F ZINC000791338838 880340482 /nfs/dbraw/zinc/34/04/82/880340482.db2.gz BRKPKTCNWMDDQJ-VQIMIIECSA-N 0 0 385.483 3.598 20 10 GHCDRN CO[C@H](CNC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000855212338 880361358 /nfs/dbraw/zinc/36/13/58/880361358.db2.gz WXRCNNNZVZXSBM-HRAATJIYSA-N 0 0 396.491 3.949 20 10 GHCDRN CCc1c(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cnn1C1CCCC1 ZINC000855222973 880367762 /nfs/dbraw/zinc/36/77/62/880367762.db2.gz ADLMINMNMZSEHW-INIZCTEOSA-N 0 0 382.508 3.578 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)CCc3cnc4ccccc4c3)C2)cc1 ZINC000855223735 880369127 /nfs/dbraw/zinc/36/91/27/880369127.db2.gz HOLVCSFYNDDHCS-IBGZPJMESA-N 0 0 375.472 3.571 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)CCC(=O)c3ccc(Cl)cc3)C2)cc1 ZINC000855235059 880380170 /nfs/dbraw/zinc/38/01/70/880380170.db2.gz VZVNODFVXQKSLS-QGZVFWFLSA-N 0 0 386.879 3.707 20 10 GHCDRN O=S(=O)(CCN(Cc1ccco1)Cc1ccccc1O)Cc1ccccc1 ZINC000791475386 880467028 /nfs/dbraw/zinc/46/70/28/880467028.db2.gz MTUVMLNHWNNECO-UHFFFAOYSA-N 0 0 385.485 3.602 20 10 GHCDRN Cc1nc2c(cccc2C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)o1 ZINC000791527853 880482817 /nfs/dbraw/zinc/48/28/17/880482817.db2.gz VICFYDKNTIWKKG-OKILXGFUSA-N 0 0 397.450 3.819 20 10 GHCDRN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N[C@H]1C=CCC1 ZINC000855421466 880510818 /nfs/dbraw/zinc/51/08/18/880510818.db2.gz HFHJKLPNKSQRMA-PBBNAPBQSA-N 0 0 378.544 3.564 20 10 GHCDRN CO[C@]1(CO)CCCN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)C1 ZINC000855445456 880518826 /nfs/dbraw/zinc/51/88/26/880518826.db2.gz WTXHKDYYCNYIQK-JOCHJYFZSA-N 0 0 396.491 3.782 20 10 GHCDRN CC[C@H](Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1ccc(N(C)C)cc1 ZINC000776817139 880594221 /nfs/dbraw/zinc/59/42/21/880594221.db2.gz UCILEOKFCJJTGY-IBGZPJMESA-N 0 0 386.927 3.905 20 10 GHCDRN 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ZINC000918009141 892952415 /nfs/dbraw/zinc/95/24/15/892952415.db2.gz GUAPOEBCMOGKDH-UHFFFAOYSA-N 0 0 390.487 3.886 20 10 GHCDRN COc1cc(N(C)CC(=O)N2c3ccccc3CC[C@H]2C)cc(OC)c1OC ZINC000125759980 892953084 /nfs/dbraw/zinc/95/30/84/892953084.db2.gz NNTADFGYMRVLPA-OAHLLOKOSA-N 0 0 384.476 3.517 20 10 GHCDRN COc1ccc(OC2CCN(C(=O)NCc3ccc(N(C)C)cc3)CC2)cc1 ZINC000917997819 892969823 /nfs/dbraw/zinc/96/98/23/892969823.db2.gz SRSVTBRLFOFQBC-UHFFFAOYSA-N 0 0 383.492 3.514 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NCCSc3ccccc3)CC2)cc1 ZINC000918001246 892973133 /nfs/dbraw/zinc/97/31/33/892973133.db2.gz IBJKETIMMGBFOD-UHFFFAOYSA-N 0 0 385.533 3.709 20 10 GHCDRN CCNC(=O)c1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000918031553 893004723 /nfs/dbraw/zinc/00/47/23/893004723.db2.gz ZCJLUTDCIQDCME-UHFFFAOYSA-N 0 0 380.492 3.699 20 10 GHCDRN CNC(=O)c1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1C ZINC000918032385 893006413 /nfs/dbraw/zinc/00/64/13/893006413.db2.gz IMGSTZXAOPHSRG-UHFFFAOYSA-N 0 0 380.492 3.617 20 10 GHCDRN C[C@@H]1C[C@H]1c1ccc(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)o1 ZINC000918078675 893086338 /nfs/dbraw/zinc/08/63/38/893086338.db2.gz VTADLYHVLXESOI-IIBYNOLFSA-N 0 0 397.519 3.611 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000825872826 893106593 /nfs/dbraw/zinc/10/65/93/893106593.db2.gz BOTCTDFLARQIJN-UHFFFAOYSA-N 0 0 381.354 3.918 20 10 GHCDRN COC(=O)C[C@@H](O)CSC1=NC(=O)/C(=C/c2csc3ccccc23)S1 ZINC000814771833 893159612 /nfs/dbraw/zinc/15/96/12/893159612.db2.gz GSCKRBWRFOJLAJ-MQOXYSQQSA-N 0 0 393.511 3.529 20 10 GHCDRN NC(=O)[C@H]1CCCN(c2ccc(CNc3cncc(-c4cccs4)n3)cc2)C1 ZINC000814828090 893212116 /nfs/dbraw/zinc/21/21/16/893212116.db2.gz NKOSGDLVDSAQPB-INIZCTEOSA-N 0 0 393.516 3.519 20 10 GHCDRN O=C(/C=C\c1cnccn1)N(Cc1ccccn1)c1ccc(Br)cc1 ZINC000918169750 893265818 /nfs/dbraw/zinc/26/58/18/893265818.db2.gz VDSAJEAHOMHPGR-TWGQIWQCSA-N 0 0 395.260 3.881 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)c2ccc3c(c2)NC(=O)C3(C)C)C2CC2)cc1 ZINC000814932491 893281681 /nfs/dbraw/zinc/28/16/81/893281681.db2.gz GPSKVHYTQDRISP-UHFFFAOYSA-N 0 0 377.488 3.787 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccc(Cl)o3)cc2F)C[C@@H](C)O1 ZINC000918187160 893328055 /nfs/dbraw/zinc/32/80/55/893328055.db2.gz WUEJSINCYALAFX-CHWSQXEVSA-N 0 0 395.862 3.685 20 10 GHCDRN Cc1ccc(NCc2ccc(N3CCC(O)CC3)cc2)cc1N1CCOC1=O ZINC000876837206 893356582 /nfs/dbraw/zinc/35/65/82/893356582.db2.gz NTERNAMDMAYCIS-UHFFFAOYSA-N 0 0 381.476 3.525 20 10 GHCDRN CN(C)c1ccc(C2(C(=O)NCc3ccc(N4CCSCC4)cc3)CC2)cc1 ZINC000815046362 893362623 /nfs/dbraw/zinc/36/26/23/893362623.db2.gz ROIZXFMGMUJGLU-UHFFFAOYSA-N 0 0 395.572 3.654 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCCC3CCCC3)cc2F)C[C@@H](C)O1 ZINC000918212324 893365154 /nfs/dbraw/zinc/36/51/54/893365154.db2.gz KVEOQVQCTHDYJF-HZPDHXFCSA-N 0 0 377.504 3.819 20 10 GHCDRN CC(C)CN(C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C1CC1 ZINC000918223348 893396514 /nfs/dbraw/zinc/39/65/14/893396514.db2.gz ZWNARXLCCVDTRO-HOTGVXAUSA-N 0 0 377.504 3.769 20 10 GHCDRN C[C@H](NC(=O)COc1ccc(Cl)c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000815114550 893447374 /nfs/dbraw/zinc/44/73/74/893447374.db2.gz ORCZJHRZGRMLJG-AWEZNQCLSA-N 0 0 392.858 3.572 20 10 GHCDRN CCCOc1cc(C)ccc1NC(=O)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000918307426 893466849 /nfs/dbraw/zinc/46/68/49/893466849.db2.gz WIJVUWDURWBUNJ-UHFFFAOYSA-N 0 0 397.519 3.837 20 10 GHCDRN Nc1ccc2c(c1NC(=O)c1ncccc1C1CCC1)C(=O)c1ccccc1C2=O ZINC001185276721 913771617 /nfs/dbraw/zinc/77/16/17/913771617.db2.gz BPRAAVXDLCHUDL-UHFFFAOYSA-N 0 0 397.434 3.959 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000126342877 893485059 /nfs/dbraw/zinc/48/50/59/893485059.db2.gz YVAMWOLQJWBPFJ-HSZRJFAPSA-N 0 0 393.531 3.686 20 10 GHCDRN Cc1cc(C(=O)Cn2cnc3cnccc3c2=O)c(C)n1-c1ccc(C)c(F)c1 ZINC000126400504 893525528 /nfs/dbraw/zinc/52/55/28/893525528.db2.gz MXZNZLIGRNKGCG-UHFFFAOYSA-N 0 0 390.418 3.529 20 10 GHCDRN Cc1cc(NCc2ccc(N3CCC(O)CC3)cc2)cnc1Br ZINC000877195242 893529132 /nfs/dbraw/zinc/52/91/32/893529132.db2.gz FCUPFSQKDAIHSQ-UHFFFAOYSA-N 0 0 376.298 3.726 20 10 GHCDRN CCc1ccc(C(=O)CCC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1 ZINC000918369105 893556410 /nfs/dbraw/zinc/55/64/10/893556410.db2.gz HXMJTPRMJHDULV-UHFFFAOYSA-N 0 0 394.515 3.959 20 10 GHCDRN CCCOc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1OCC ZINC000918374608 893564598 /nfs/dbraw/zinc/56/45/98/893564598.db2.gz PUDZSVHPXSAMJP-UHFFFAOYSA-N 0 0 384.476 3.963 20 10 GHCDRN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1nc(C2CCCCC2)no1 ZINC000877470628 893627342 /nfs/dbraw/zinc/62/73/42/893627342.db2.gz LDYQGOULZNADPA-INIZCTEOSA-N 0 0 384.524 3.929 20 10 GHCDRN Cc1ccccc1N1C(=O)/C(=C/c2cc(Br)nn2C)SC1=S ZINC000778248366 893682268 /nfs/dbraw/zinc/68/22/68/893682268.db2.gz OESPEYJHQZFJPX-GHXNOFRVSA-N 0 0 394.319 3.897 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccnn1[C@H]1CCCOC1 ZINC000934695277 893823073 /nfs/dbraw/zinc/82/30/73/893823073.db2.gz MZRQJDKXOASLDL-IBGZPJMESA-N 0 0 385.512 3.743 20 10 GHCDRN O=C1CN(Cc2ccccc2)[C@H](c2ccc3c(c2)CCN3Cc2ccccc2)N1 ZINC000877854376 893856160 /nfs/dbraw/zinc/85/61/60/893856160.db2.gz MREYVJXTXBLSJF-RUZDIDTESA-N 0 0 383.495 3.880 20 10 GHCDRN CC1(C)N[C@@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N(c2ccccc2)C1=O ZINC000877856829 893858808 /nfs/dbraw/zinc/85/88/08/893858808.db2.gz IJRXHLUBLLVESZ-HXUWFJFHSA-N 0 0 394.475 3.999 20 10 GHCDRN Cc1nnc([C@H](C)NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)[nH]1 ZINC000288624936 913823207 /nfs/dbraw/zinc/82/32/07/913823207.db2.gz QLVCAFRFGMOREB-STQMWFEESA-N 0 0 390.919 3.563 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000187515120 894003526 /nfs/dbraw/zinc/00/35/26/894003526.db2.gz DAUMKUBCFWZREU-QFBILLFUSA-N 0 0 399.457 3.570 20 10 GHCDRN COC(=O)N1CCN(c2ccc(N[C@@H](C)c3cc(Cl)ccc3O)cn2)CC1 ZINC000815654706 894068877 /nfs/dbraw/zinc/06/88/77/894068877.db2.gz VSYQCKJAHUBTLI-ZDUSSCGKSA-N 0 0 390.871 3.502 20 10 GHCDRN Cc1ccc(Br)c(C)c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000816028242 894405806 /nfs/dbraw/zinc/40/58/06/894405806.db2.gz ATNFDRXSGLCFDK-NSHDSACASA-N 0 0 378.266 3.838 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1c[nH]cc1-c1cnn(C)c1 ZINC000778327770 894416210 /nfs/dbraw/zinc/41/62/10/894416210.db2.gz FETFYSVIDXKQGG-UHFFFAOYSA-N 0 0 377.492 3.678 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cnn(C2CCC2)c1 ZINC000935665544 894710098 /nfs/dbraw/zinc/71/00/98/894710098.db2.gz ZEVSFXIBHLYDFH-UHFFFAOYSA-N 0 0 398.507 3.610 20 10 GHCDRN COC(=O)c1ccc(NC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)cc1 ZINC001135563317 894797836 /nfs/dbraw/zinc/79/78/36/894797836.db2.gz RHEJSJNHYBKNJN-UHFFFAOYSA-N 0 0 376.412 3.946 20 10 GHCDRN Cc1cc(Br)cc(Cl)c1C(=O)NCCc1ccc(O)c(O)c1 ZINC000778390097 894849923 /nfs/dbraw/zinc/84/99/23/894849923.db2.gz VQTVQJOYSOXIOV-UHFFFAOYSA-N 0 0 384.657 3.795 20 10 GHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000816592235 894935383 /nfs/dbraw/zinc/93/53/83/894935383.db2.gz CXCKCNCBEXJXGS-JTQLQIEISA-N 0 0 377.765 3.543 20 10 GHCDRN O=C([C@@H]1CC12CC[NH+](Cc1cc(Cl)c(F)cc1[O-])CC2)N1CCCCC1 ZINC000816565089 894947382 /nfs/dbraw/zinc/94/73/82/894947382.db2.gz AYUNBOKTURPSKM-HNNXBMFYSA-N 0 0 380.891 3.799 20 10 GHCDRN C[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1ccccc1O ZINC000879282499 894950991 /nfs/dbraw/zinc/95/09/91/894950991.db2.gz RLRXGOLUTXBVJM-CQSZACIVSA-N 0 0 379.460 3.964 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(-c2ccn(C)c2)n[nH]1 ZINC000816825839 895117912 /nfs/dbraw/zinc/11/79/12/895117912.db2.gz OIRQLSVNUASTCY-UHFFFAOYSA-N 0 0 377.492 3.678 20 10 GHCDRN Cc1ccc(F)c(Br)c1C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000888777113 895130854 /nfs/dbraw/zinc/13/08/54/895130854.db2.gz KEEVQBNLKRUEFG-UHFFFAOYSA-N 0 0 393.256 3.986 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1cc(Br)nn1C ZINC000879639393 895192459 /nfs/dbraw/zinc/19/24/59/895192459.db2.gz VWCDKMRXOLKXRD-UHFFFAOYSA-N 0 0 381.274 3.722 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc(F)c(NC(N)=O)c1 ZINC000879663856 895213059 /nfs/dbraw/zinc/21/30/59/895213059.db2.gz SHCGVIGEGFEQPD-UHFFFAOYSA-N 0 0 387.459 3.825 20 10 GHCDRN CC[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000127986850 895274536 /nfs/dbraw/zinc/27/45/36/895274536.db2.gz NWUKUPNTBNSWCR-HXUWFJFHSA-N 0 0 393.487 3.785 20 10 GHCDRN Cc1ccc(C(=O)N2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)c(O)c1O ZINC000817048303 895277527 /nfs/dbraw/zinc/27/75/27/895277527.db2.gz RQDPUNSUYFJGOX-LBPRGKRZSA-N 0 0 378.831 3.550 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cnc(C(=O)OC)c(Cl)c1 ZINC000879974172 895431138 /nfs/dbraw/zinc/43/11/38/895431138.db2.gz IRMMWGAGVIWRJW-UHFFFAOYSA-N 0 0 377.828 3.671 20 10 GHCDRN CC[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2[O-])CCO1 ZINC000817414510 895591144 /nfs/dbraw/zinc/59/11/44/895591144.db2.gz GTJFEQBIDGETBD-VXGBXAGGSA-N 0 0 393.119 3.964 20 10 GHCDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000817521288 895706187 /nfs/dbraw/zinc/70/61/87/895706187.db2.gz XLHSULBOKQAYRP-UHFFFAOYSA-N 0 0 385.489 3.695 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc2ccccc2n1 ZINC000880507575 895734376 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GHCDRN C[C@H](O)C[C@@H](CNC(=O)c1csc(Cc2ccc(N)cc2)n1)c1ccccc1 ZINC000817961062 895978417 /nfs/dbraw/zinc/97/84/17/895978417.db2.gz WMQBSRRCZFXFBW-YJBOKZPZSA-N 0 0 395.528 3.601 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)Nc3cncc(C(F)F)c3)C2)cc1 ZINC000880907255 895985227 /nfs/dbraw/zinc/98/52/27/895985227.db2.gz JBZWLPMHVGOHGG-CYBMUJFWSA-N 0 0 376.407 3.676 20 10 GHCDRN COc1ccc(F)cc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000818032655 896005455 /nfs/dbraw/zinc/00/54/55/896005455.db2.gz ATJQDCWKTSFSMS-LJQANCHMSA-N 0 0 386.467 3.722 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ncsc1C1CC1 ZINC000881041400 896087336 /nfs/dbraw/zinc/08/73/36/896087336.db2.gz SMDRRHIWQXGQNN-UHFFFAOYSA-N 0 0 386.521 3.551 20 10 GHCDRN Cc1cc(C(=O)N2CCC([C@H]3NC(=O)C3(C)C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000819075954 896389541 /nfs/dbraw/zinc/38/95/41/896389541.db2.gz FOLOAAVIUHLIBR-HXUWFJFHSA-N 0 0 397.494 3.610 20 10 GHCDRN Cc1cc(C(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)c(C)n1-c1ccccn1 ZINC000129189828 896495229 /nfs/dbraw/zinc/49/52/29/896495229.db2.gz XQGHUWRQVCOKNK-QGZVFWFLSA-N 0 0 390.487 3.967 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O ZINC000289184865 914075160 /nfs/dbraw/zinc/07/51/60/914075160.db2.gz TVJBPWVJRDDKDH-FCHUYYIVSA-N 0 0 392.499 3.940 20 10 GHCDRN COC(=O)c1cccc(CC(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC000129529879 896721242 /nfs/dbraw/zinc/72/12/42/896721242.db2.gz OWNAAJVEASWKGB-UHFFFAOYSA-N 0 0 379.412 3.543 20 10 GHCDRN COc1c(O)c(CNc2ccc(C)cc2OC[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000774929445 914096055 /nfs/dbraw/zinc/09/60/55/914096055.db2.gz ZHJOEAYVMWAGHK-HNNXBMFYSA-N 0 0 388.420 3.787 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3ccc4cc(OC)ccc4n3)C2)cc1 ZINC000819580491 896821357 /nfs/dbraw/zinc/82/13/57/896821357.db2.gz KPEYQGNENPYNSX-INIZCTEOSA-N 0 0 391.471 3.508 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)CCCOc3ccccc3C)C2)cc1 ZINC000819579724 896822232 /nfs/dbraw/zinc/82/22/32/896822232.db2.gz CCDYPQWUACKXIG-IBGZPJMESA-N 0 0 382.504 3.805 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)CCc3c[nH]c4ccccc34)C2)cc1 ZINC000819581050 896823635 /nfs/dbraw/zinc/82/36/35/896823635.db2.gz SLYJJAJDQVFUSR-QGZVFWFLSA-N 0 0 377.488 3.752 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cc4ccc(F)cc4nc3C)C2)cc1 ZINC000819581420 896823838 /nfs/dbraw/zinc/82/38/38/896823838.db2.gz ZBWPMQIDTFCGPZ-INIZCTEOSA-N 0 0 393.462 3.947 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)C[C@@H]3CCc4ccccc4C3)C2)cc1 ZINC000819581746 896825117 /nfs/dbraw/zinc/82/51/17/896825117.db2.gz DUFZGGGKLUMUQV-MOPGFXCFSA-N 0 0 378.516 3.833 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)COc3ccc(Cl)c(C)c3)C2)cc1 ZINC000819580690 896825370 /nfs/dbraw/zinc/82/53/70/896825370.db2.gz NKRQZTWNPYUYNZ-MRXNPFEDSA-N 0 0 388.895 3.679 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)/C=C(\C)Cc3ccccc3OC)C2)cc1 ZINC000819581706 896826432 /nfs/dbraw/zinc/82/64/32/896826432.db2.gz CZFAMOVGPMOXQB-DGDHUYAWSA-N 0 0 394.515 3.835 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)/C=C(/C)c3ccccc3OC)C2)cc1 ZINC000819581968 896828000 /nfs/dbraw/zinc/82/80/00/896828000.db2.gz HEQOFYCZXLHKEZ-DNKLCNGGSA-N 0 0 380.488 3.750 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3sc(C)nc3CC(C)C)C2)cc1 ZINC000819584241 896830366 /nfs/dbraw/zinc/83/03/66/896830366.db2.gz FDAWMXBSRAAKFJ-INIZCTEOSA-N 0 0 387.549 3.915 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3coc(-c4ccccc4)n3)C2)cc1 ZINC000819583867 896831598 /nfs/dbraw/zinc/83/15/98/896831598.db2.gz BEZBUNBHFYZKFM-INIZCTEOSA-N 0 0 377.444 3.607 20 10 GHCDRN CCO[C@@H](C)c1ncc(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000819584206 896831943 /nfs/dbraw/zinc/83/19/43/896831943.db2.gz DSDJDDTVZRLCRE-LSDHHAIUSA-N 0 0 389.521 3.506 20 10 GHCDRN CC[C@H](C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccc(OC)cc1 ZINC000819586277 896835314 /nfs/dbraw/zinc/83/53/14/896835314.db2.gz MAJGZUOMBAZUDQ-JTSKRJEESA-N 0 0 382.504 3.840 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)C[C@H]3CSc4ccccc4O3)C2)cc1 ZINC000819587930 896837597 /nfs/dbraw/zinc/83/75/97/896837597.db2.gz QWWDQZKTYBQQLI-LPHOPBHVSA-N 0 0 398.528 3.581 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000819696182 896909062 /nfs/dbraw/zinc/90/90/62/896909062.db2.gz OIVQVJOCPURJBU-UHFFFAOYSA-N 0 0 399.340 3.756 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@H](c3nnc[nH]3)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000819720418 896933646 /nfs/dbraw/zinc/93/36/46/896933646.db2.gz OXQSUPPAYWEOAZ-SFHVURJKSA-N 0 0 377.492 3.965 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNc3nc(Cl)nc4c3COC4(C)C)C2)cc1 ZINC000819934580 897069476 /nfs/dbraw/zinc/06/94/76/897069476.db2.gz LBNOLTPCNNYCAO-ZDUSSCGKSA-N 0 0 388.899 3.842 20 10 GHCDRN COc1ccc(N2CC[C@H](CNc3ncccc3C(=O)N3CCCCC3)C2)cc1 ZINC000819934845 897069913 /nfs/dbraw/zinc/06/99/13/897069913.db2.gz HUZQDXNPQUJEPY-GOSISDBHSA-N 0 0 394.519 3.655 20 10 GHCDRN Cc1cc(C(=O)Nc2cc(Br)nn2C)c(C)n1-c1ccc(F)cc1 ZINC000820237581 897233693 /nfs/dbraw/zinc/23/36/93/897233693.db2.gz ZLLHKSIGCXZMBD-UHFFFAOYSA-N 0 0 391.244 3.982 20 10 GHCDRN C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])c1ccc([S@@](C)=O)cc1 ZINC000883076167 897256833 /nfs/dbraw/zinc/25/68/33/897256833.db2.gz WDKLORPJNNAGFP-ZQJOYCHOSA-N 0 0 386.286 3.882 20 10 GHCDRN CS[C@H](C(N)=O)c1cccc(C(=O)c2ccccc2)c1Nc1cccc(=O)[nH]1 ZINC001212792282 897340032 /nfs/dbraw/zinc/34/00/32/897340032.db2.gz KYFBVRIQRVZZSA-FQEVSTJZSA-N 0 0 393.468 3.651 20 10 GHCDRN C[C@@H](NC(=O)NCC[C@@H]1CCCC1(F)F)c1ccc(N2CCOCC2)cc1 ZINC000883207737 897371157 /nfs/dbraw/zinc/37/11/57/897371157.db2.gz RWAUDZSJXYAWGC-WBVHZDCISA-N 0 0 381.467 3.709 20 10 GHCDRN Cc1cc(C(=O)N2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c(C)n1-c1ccccn1 ZINC000820537312 897375701 /nfs/dbraw/zinc/37/57/01/897375701.db2.gz RGFZRNOSTQTXKU-PMACEKPBSA-N 0 0 386.499 3.698 20 10 GHCDRN C[C@@H](Cc1ccccc1Cl)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000131700659 897553369 /nfs/dbraw/zinc/55/33/69/897553369.db2.gz KZPAWGKVQRRFFV-HNNXBMFYSA-N 0 0 390.886 3.811 20 10 GHCDRN Cn1c(-c2ccccc2)cnc1SCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000027988711 897642685 /nfs/dbraw/zinc/64/26/85/897642685.db2.gz FNPSPVPEAJMMJN-QGZVFWFLSA-N 0 0 379.485 3.819 20 10 GHCDRN O=C(Cc1ccc2cccnc2c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000821195213 897757457 /nfs/dbraw/zinc/75/74/57/897757457.db2.gz OUZGCJPNNYLXKP-FQEVSTJZSA-N 0 0 376.456 3.691 20 10 GHCDRN Cc1nn(-c2cccc(F)c2)cc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC001136436747 897846577 /nfs/dbraw/zinc/84/65/77/897846577.db2.gz IICKPBUQERZVOV-UHFFFAOYSA-N 0 0 378.451 3.632 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3cc(F)ccc3OC(F)F)C2)cc1 ZINC000821849706 898094946 /nfs/dbraw/zinc/09/49/46/898094946.db2.gz CVTNUEKFHBNPRQ-ZDUSSCGKSA-N 0 0 395.381 3.836 20 10 GHCDRN Cc1cc(CC(=O)NC2CCN(c3ccccn3)CC2)c(C)n1-c1ccccc1 ZINC000822077349 898211401 /nfs/dbraw/zinc/21/14/01/898211401.db2.gz BWMVHBGNRHQAOJ-UHFFFAOYSA-N 0 0 388.515 3.817 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C[C@H](NC(C)=O)c2cccs2)cc1 ZINC000822079746 898212398 /nfs/dbraw/zinc/21/23/98/898212398.db2.gz AMRCLKZVQKSZPK-IBGZPJMESA-N 0 0 387.549 3.820 20 10 GHCDRN CC(=O)NC[C@@H](C(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C)c1ccccc1 ZINC001185966162 914232330 /nfs/dbraw/zinc/23/23/30/914232330.db2.gz OVUCATADIMDPQU-KNQAVFIVSA-N 0 0 394.515 3.669 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000822412601 898360285 /nfs/dbraw/zinc/36/02/85/898360285.db2.gz WIRJIXJCYRZELX-IUODEOHRSA-N 0 0 385.302 3.644 20 10 GHCDRN Cc1cc(-c2nc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)co2)ccn1 ZINC000822416626 898361235 /nfs/dbraw/zinc/36/12/35/898361235.db2.gz VGWNLDUCFCCWLY-UHFFFAOYSA-N 0 0 376.460 3.916 20 10 GHCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCCc2nccs2)cc1 ZINC000282864850 898375160 /nfs/dbraw/zinc/37/51/60/898375160.db2.gz AAZBPXCJGPJSPI-IBGZPJMESA-N 0 0 387.549 3.740 20 10 GHCDRN Cc1noc([C@H]2CCCN(C(=O)NCc3ccc(N4CCC(C)CC4)cc3)C2)n1 ZINC000108444265 898380656 /nfs/dbraw/zinc/38/06/56/898380656.db2.gz NDALZXUVRWLBDB-IBGZPJMESA-N 0 0 397.523 3.704 20 10 GHCDRN COCCN(Cc1cccnc1)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108583836 898389771 /nfs/dbraw/zinc/38/97/71/898389771.db2.gz PRUCNKTULYHTMT-UHFFFAOYSA-N 0 0 396.535 3.676 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000822511985 898444007 /nfs/dbraw/zinc/44/40/07/898444007.db2.gz QCEJTWOESMKKQV-UHFFFAOYSA-N 0 0 393.487 3.666 20 10 GHCDRN COc1ccc(CCN(Cc2ccccc2)C(=O)c2cccc(O)c2O)cc1 ZINC001136594853 898455575 /nfs/dbraw/zinc/45/55/75/898455575.db2.gz FVYWGCRCVQDNGD-UHFFFAOYSA-N 0 0 377.440 3.992 20 10 GHCDRN Cc1cc(C(=O)N(CCS(C)(=O)=O)C(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000155236449 898479065 /nfs/dbraw/zinc/47/90/65/898479065.db2.gz BOLNTXPDBBQTKN-UHFFFAOYSA-N 0 0 396.940 3.643 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2Cl)C1 ZINC000800001724 898483131 /nfs/dbraw/zinc/48/31/31/898483131.db2.gz LIIQQPQPVVJQJY-LBPRGKRZSA-N 0 0 376.844 3.743 20 10 GHCDRN CC1=C(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C(=O)OC1(C)C ZINC000800046595 898533969 /nfs/dbraw/zinc/53/39/69/898533969.db2.gz ABIWZVCPHKARPY-CYBMUJFWSA-N 0 0 390.911 3.844 20 10 GHCDRN Cc1csc([C@@H](C)C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)n1 ZINC000822687736 898565431 /nfs/dbraw/zinc/56/54/31/898565431.db2.gz FYPMYVKQEDULDM-ZNMIVQPWSA-N 0 0 391.512 3.624 20 10 GHCDRN Cc1cc(F)c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(F)c1 ZINC000822688263 898565589 /nfs/dbraw/zinc/56/55/89/898565589.db2.gz NNMSHPHVAXRWNU-KBPBESRZSA-N 0 0 392.421 3.956 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N[C@H](C)Cc3ccccc3F)C2)cc1 ZINC000822750512 898608630 /nfs/dbraw/zinc/60/86/30/898608630.db2.gz MEGBZJOFRMLBAZ-SJORKVTESA-N 0 0 385.483 3.591 20 10 GHCDRN O=C(Nc1cccnc1-n1cncn1)N(Cc1ccccc1O)C1CCCCC1 ZINC000110091759 898653985 /nfs/dbraw/zinc/65/39/85/898653985.db2.gz YXILVUSGQGESRG-UHFFFAOYSA-N 0 0 392.463 3.735 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1C(C)(C)C1(F)F ZINC000823034045 898801760 /nfs/dbraw/zinc/80/17/60/898801760.db2.gz KUIXPVLKURRYQO-CYBMUJFWSA-N 0 0 391.256 3.978 20 10 GHCDRN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000303080586 914285425 /nfs/dbraw/zinc/28/54/25/914285425.db2.gz UUCXVRCVJQMHHH-UHFFFAOYSA-N 0 0 382.464 3.997 20 10 GHCDRN C[C@@H]1C[C@]1(C(=O)NCc1ccc(N2CCC(C)CC2)cc1)C(=O)OC(C)(C)C ZINC001136705505 898951164 /nfs/dbraw/zinc/95/11/64/898951164.db2.gz PFWRZFNEJVBLSF-HXOBKFHXSA-N 0 0 386.536 3.907 20 10 GHCDRN CCOC(=O)c1cc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)[nH]c1C ZINC001136705381 898951208 /nfs/dbraw/zinc/95/12/08/898951208.db2.gz KNRUGAGWKWRQOL-UHFFFAOYSA-N 0 0 383.492 3.666 20 10 GHCDRN C[C@H]1C[C@H](c2ccccc2)N(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000823524919 899072483 /nfs/dbraw/zinc/07/24/83/899072483.db2.gz ZJHQYEFTMJNIQD-FDDCHVKYSA-N 0 0 393.531 3.940 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N[C@H](C)CCCC(F)(F)F)C2)cc1 ZINC000823509019 899084158 /nfs/dbraw/zinc/08/41/58/899084158.db2.gz CXWQMYJVKYQQTI-CABCVRRESA-N 0 0 387.446 3.942 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC1(c2ccccc2Cl)CC1 ZINC000823519816 899090790 /nfs/dbraw/zinc/09/07/90/899090790.db2.gz OHDRCDYVVGGRNA-UHFFFAOYSA-N 0 0 399.922 3.790 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCC[C@H](CC(F)(F)F)C1 ZINC000823519793 899090801 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Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000823693185 899190091 /nfs/dbraw/zinc/19/00/91/899190091.db2.gz KIXOMJJKSLBVCS-AVRDEDQJSA-N 0 0 399.579 3.983 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)NCc3cnccc3C(C)(C)C)C2)cc1 ZINC000823694581 899191315 /nfs/dbraw/zinc/19/13/15/899191315.db2.gz XQLSJDLFIOQKTF-KRWDZBQOSA-N 0 0 396.535 3.713 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N(C)Cc3cc(C)ccc3F)C2)cc1 ZINC000823734274 899208781 /nfs/dbraw/zinc/20/87/81/899208781.db2.gz XYVOHRFCOVYHHY-QGZVFWFLSA-N 0 0 385.483 3.811 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N(C)Cc3ccc(F)c(F)c3)C2)cc1 ZINC000823718963 899219025 /nfs/dbraw/zinc/21/90/25/899219025.db2.gz GMOMAPRBKXWUOX-MRXNPFEDSA-N 0 0 389.446 3.641 20 10 GHCDRN CC[C@@H](NC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)c1nc(C)cs1 ZINC000823726680 899223626 /nfs/dbraw/zinc/22/36/26/899223626.db2.gz WSQLHNYVIDFNHG-CRAIPNDOSA-N 0 0 388.537 3.737 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N3C[C@@H](C(F)(F)F)CC[C@@H]3C)C2)cc1 ZINC000823726365 899224564 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CCCN(Cc1ccccc1O)C(=O)c1cccc(-c2nnc(COC)o2)c1 ZINC000182060537 907125300 /nfs/dbraw/zinc/12/53/00/907125300.db2.gz ZBSPPLWCTMIAKP-UHFFFAOYSA-N 0 0 381.432 3.641 20 10 GHCDRN CC[C@@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1nccn1C ZINC000182492761 907215670 /nfs/dbraw/zinc/21/56/70/907215670.db2.gz RZYCHIQMXNTTHV-QGZVFWFLSA-N 0 0 382.430 3.516 20 10 GHCDRN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)n1 ZINC000191884267 907301996 /nfs/dbraw/zinc/30/19/96/907301996.db2.gz VMQKAYYXJGBZCR-OAHLLOKOSA-N 0 0 394.431 3.920 20 10 GHCDRN COc1ccc([C@H](OC)[C@@H](C)NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773434621 907312179 /nfs/dbraw/zinc/31/21/79/907312179.db2.gz WPCDBQNBVWQPLU-GCKMJXCFSA-N 0 0 385.508 3.898 20 10 GHCDRN O=C(C=Cc1ccc(O)c(O)c1)N1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000779497748 907317668 /nfs/dbraw/zinc/31/76/68/907317668.db2.gz CHALOLOYBVTWPY-KXFIGUGUSA-N 0 0 387.382 3.511 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCCCc1nc(-c2cccnc2)cs1 ZINC000779515992 907357925 /nfs/dbraw/zinc/35/79/25/907357925.db2.gz ZFJUBCRCUTWDHT-CLFYSBASSA-N 0 0 395.484 3.769 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CC4(C3)CCCC4)cc2F)C[C@H](C)O1 ZINC000779529158 907368482 /nfs/dbraw/zinc/36/84/82/907368482.db2.gz NCRMFDFQHVCXAU-IYBDPMFKSA-N 0 0 375.488 3.525 20 10 GHCDRN CCN(Cc1ccccc1)c1ccc(CN2CCS(=O)(=O)CC[C@@H]2C)cc1 ZINC000192057524 907380704 /nfs/dbraw/zinc/38/07/04/907380704.db2.gz RCWPRXCMJPJYET-IBGZPJMESA-N 0 0 386.561 3.722 20 10 GHCDRN CN(c1ccc(C(F)(F)F)c(Cl)c1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001175261424 907474053 /nfs/dbraw/zinc/47/40/53/907474053.db2.gz NBXHSVAAPVLRNP-UHFFFAOYSA-N 0 0 392.830 3.950 20 10 GHCDRN C[S@@](=O)c1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC001175479622 907568286 /nfs/dbraw/zinc/56/82/86/907568286.db2.gz QLXJXTIAFUOPJA-HHHXNRCGSA-N 0 0 377.421 3.649 20 10 GHCDRN Cc1cc(C(=O)NCc2cnc(Br)cn2)c(C)n1-c1cccc(C)c1 ZINC000773507267 907633055 /nfs/dbraw/zinc/63/30/55/907633055.db2.gz ZTJAHENTSNFMPY-UHFFFAOYSA-N 0 0 399.292 3.885 20 10 GHCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2coc(C3CCC3)n2)cc1 ZINC000192468527 907672139 /nfs/dbraw/zinc/67/21/39/907672139.db2.gz HBMCJLWPTOUQLG-LJQANCHMSA-N 0 0 383.492 3.830 20 10 GHCDRN Cc1noc2ncnc(N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c12 ZINC000192469124 907672641 /nfs/dbraw/zinc/67/26/41/907672641.db2.gz FFJCFYQQACJCPC-GFCCVEGCSA-N 0 0 375.379 3.609 20 10 GHCDRN COc1cc(OC)cc([C@H](N[C@H](C)c2cc(F)ccc2O)c2nccn2C)c1 ZINC000184960579 907687380 /nfs/dbraw/zinc/68/73/80/907687380.db2.gz DKDWFOQWNMHDKO-XCLFUZPHSA-N 0 0 385.439 3.722 20 10 GHCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1cccc(CN2CCOCC2)c1 ZINC001175857329 907798041 /nfs/dbraw/zinc/79/80/41/907798041.db2.gz SXXVQXURYDDINL-ALNQNNHBSA-N 0 0 388.475 3.787 20 10 GHCDRN CC(=O)N1CC=C(Nc2ccc(OCCCOc3ccc(N)cc3)cc2)CC1 ZINC001176032390 907895084 /nfs/dbraw/zinc/89/50/84/907895084.db2.gz YIYAYVPKEQTCLR-UHFFFAOYSA-N 0 0 381.476 3.665 20 10 GHCDRN CCN(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CCCCC1 ZINC000080048856 908224140 /nfs/dbraw/zinc/22/41/40/908224140.db2.gz VSTLHARDSLPQGY-UHFFFAOYSA-N 0 0 377.504 3.651 20 10 GHCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]CCCOCC1CC1 ZINC001177136418 908420717 /nfs/dbraw/zinc/42/07/17/908420717.db2.gz OHWKQVCVXVFFOV-UHFFFAOYSA-N 0 0 393.119 3.824 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)c2nc(Br)cs2)C2CC2)cc1 ZINC000779736293 908456665 /nfs/dbraw/zinc/45/66/65/908456665.db2.gz UTMDWRRBAGENRE-UHFFFAOYSA-N 0 0 380.311 3.776 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000190742724 908521740 /nfs/dbraw/zinc/52/17/40/908521740.db2.gz UXLROOOZANOGHM-UHFFFAOYSA-N 0 0 379.382 3.934 20 10 GHCDRN OC1CCN(c2ccc(C[NH2+]Cc3ccc(OCC4CC4)cc3)cc2F)CC1 ZINC000190857213 908535706 /nfs/dbraw/zinc/53/57/06/908535706.db2.gz ODYOBXBUPLUVPR-UHFFFAOYSA-N 0 0 384.495 3.865 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+]Cc2cccc(N3CCOC3=O)c2)c1 ZINC001177436927 908589724 /nfs/dbraw/zinc/58/97/24/908589724.db2.gz JUGUQENWYVLMFD-UHFFFAOYSA-N 0 0 391.265 3.710 20 10 GHCDRN C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)c(F)c1[O-] ZINC000191217204 908595609 /nfs/dbraw/zinc/59/56/09/908595609.db2.gz PNQVFNUTQIPYAC-GFCCVEGCSA-N 0 0 380.410 3.621 20 10 GHCDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000191352544 908614194 /nfs/dbraw/zinc/61/41/94/908614194.db2.gz XSHMALJFVDNSNA-UHFFFAOYSA-N 0 0 398.463 3.712 20 10 GHCDRN Cc1ccc(N(C)S(=O)(=O)c2cccc3nsnc32)c(Br)c1 ZINC000812325077 908624581 /nfs/dbraw/zinc/62/45/81/908624581.db2.gz OLJCITMHWYCXSO-UHFFFAOYSA-N 0 0 398.307 3.587 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2F)cc1 ZINC000193779856 908706239 /nfs/dbraw/zinc/70/62/39/908706239.db2.gz QNJQWOQXMFOXBA-UHFFFAOYSA-N 0 0 377.847 3.580 20 10 GHCDRN CN(C)c1ccc(CNC(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)cc1F ZINC000194673487 908909360 /nfs/dbraw/zinc/90/93/60/908909360.db2.gz XEOOWSCWRKNSHH-NQIIRXRSSA-N 0 0 385.483 3.859 20 10 GHCDRN CCn1ncc2ccc(NC(=O)NCc3ccc(N4CCSCC4)cc3)cc21 ZINC000194777707 908923991 /nfs/dbraw/zinc/92/39/91/908923991.db2.gz DIPJAUMZDKSBJQ-UHFFFAOYSA-N 0 0 395.532 3.931 20 10 GHCDRN CC(C)(C(=O)Nc1ccc(NC(=O)Nc2ccc(N)cc2)cc1)c1cnccn1 ZINC001178197293 908935778 /nfs/dbraw/zinc/93/57/78/908935778.db2.gz OZNNOTZHVFUNFQ-UHFFFAOYSA-N 0 0 390.447 3.619 20 10 GHCDRN Cc1nc(Cl)ccc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000194588782 908956343 /nfs/dbraw/zinc/95/63/43/908956343.db2.gz VDAIRWJKUBJPHU-HNNXBMFYSA-N 0 0 375.856 3.962 20 10 GHCDRN COc1ccc(C2(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)CCCC2)cc1OC ZINC000773739246 909006743 /nfs/dbraw/zinc/00/67/43/909006743.db2.gz CYYPYXBKDZTBGP-OAHLLOKOSA-N 0 0 399.487 3.674 20 10 GHCDRN COC[C@H](C)CNC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000195698845 909033705 /nfs/dbraw/zinc/03/37/05/909033705.db2.gz CYZNEUDEYRSPJM-GFCCVEGCSA-N 0 0 379.298 3.869 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nn1-c1ccc(Cl)cc1 ZINC000773746141 909060375 /nfs/dbraw/zinc/06/03/75/909060375.db2.gz XOHGLRDZHRWXIU-LBPRGKRZSA-N 0 0 385.851 3.606 20 10 GHCDRN COC(=O)/C=C/c1ccc(N2CC[C@@H](COc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000779927874 909077103 /nfs/dbraw/zinc/07/71/03/909077103.db2.gz CDFUJVKPZIJUCS-SYJIQKIWSA-N 0 0 382.416 3.686 20 10 GHCDRN COc1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)cc1NC(C)=O ZINC000266404080 909133022 /nfs/dbraw/zinc/13/30/22/909133022.db2.gz RJGJMJCVDVZBGG-UHFFFAOYSA-N 0 0 383.448 3.560 20 10 GHCDRN CC(C)COc1ncc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1Cl ZINC000773760573 909169412 /nfs/dbraw/zinc/16/94/12/909169412.db2.gz CQBGAPNPDNDGHU-GFCCVEGCSA-N 0 0 378.856 3.542 20 10 GHCDRN Cc1ccc(/C=C\C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(Br)c1 ZINC000773763689 909193719 /nfs/dbraw/zinc/19/37/19/909193719.db2.gz YLQSORJKILZBQA-FWPCIQOSSA-N 0 0 390.277 3.929 20 10 GHCDRN O=C(NCc1c(O)ccc2ccccc21)c1ccc(CN2CCCCC2=O)cc1 ZINC001179030058 909367439 /nfs/dbraw/zinc/36/74/39/909367439.db2.gz YJDLDWBOMDEOCH-UHFFFAOYSA-N 0 0 388.467 3.988 20 10 GHCDRN CC(C)(C)OC(=O)[C@](C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC001179081445 909377988 /nfs/dbraw/zinc/37/79/88/909377988.db2.gz IQZYKPMVTQIZNO-OAQYLSRUSA-N 0 0 386.448 3.690 20 10 GHCDRN CC[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1nnc2n1CCCCC2 ZINC000267412964 909487252 /nfs/dbraw/zinc/48/72/52/909487252.db2.gz OWMYGROYZBEJPR-SFHVURJKSA-N 0 0 397.523 3.539 20 10 GHCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+][C@]12CCC[C@H]1OCC2 ZINC001179430196 909521904 /nfs/dbraw/zinc/52/19/04/909521904.db2.gz RUBCYHHFBDNPFT-OCCSQVGLSA-N 0 0 391.103 3.718 20 10 GHCDRN Cn1cnc2cc(C[NH2+]Cc3cc(Cl)cc(Br)c3[O-])ccc21 ZINC001179603070 909605243 /nfs/dbraw/zinc/60/52/43/909605243.db2.gz SRASZHQYZPWDQZ-UHFFFAOYSA-N 0 0 380.673 3.985 20 10 GHCDRN COc1ccc(CNc2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)c(O)c1 ZINC000795284058 909687808 /nfs/dbraw/zinc/68/78/08/909687808.db2.gz HDUCGBYGDVWWNS-UHFFFAOYSA-N 0 0 392.242 3.866 20 10 GHCDRN C[C@](O)(CC(=O)Nc1ccc(NC(=O)Nc2ccc(N)cc2)cc1)C(F)(F)F ZINC001179815355 909746186 /nfs/dbraw/zinc/74/61/86/909746186.db2.gz QDILXQPGKXZKBV-KRWDZBQOSA-N 0 0 396.369 3.555 20 10 GHCDRN CC(C)N(Cc1c(C(=O)OC(C)(C)C)cnn1C)Cc1ccc(N(C)C)cc1 ZINC001180071886 909927167 /nfs/dbraw/zinc/92/71/67/909927167.db2.gz JPGPDXJDHFRMHU-UHFFFAOYSA-N 0 0 386.540 3.852 20 10 GHCDRN COc1ccc(-c2cc(NC(=O)/C=C/c3ccc(N(C)C)cc3)n(C)n2)cc1 ZINC001180123054 909971213 /nfs/dbraw/zinc/97/12/13/909971213.db2.gz LRZZPNSXWMJUTM-VGOFMYFVSA-N 0 0 376.460 3.814 20 10 GHCDRN CN(C)c1ccc(/C=C/C(=O)Nc2ncnc3c2cnn3-c2ccccc2)cc1 ZINC001180123988 909971301 /nfs/dbraw/zinc/97/13/01/909971301.db2.gz UZSVFCQLMHCKRT-JLHYYAGUSA-N 0 0 384.443 3.533 20 10 GHCDRN COc1cccc(NC2CCN(C(=O)/C=C/c3ccc(N(C)C)cc3)CC2)c1 ZINC001180126124 909972614 /nfs/dbraw/zinc/97/26/14/909972614.db2.gz FQWYRWCRKAUICP-FMIVXFBMSA-N 0 0 379.504 3.878 20 10 GHCDRN Cc1cc(C(=O)N(C)C[C@@H](O)c2cccnc2)c(C)n1-c1cc(C)cc(C)c1 ZINC001180217814 910019384 /nfs/dbraw/zinc/01/93/84/910019384.db2.gz XHMGPHDXEALYMC-JOCHJYFZSA-N 0 0 377.488 3.912 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccccc3)cc2F)C[C@H](C)O1 ZINC000795360068 910054355 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20 10 GHCDRN Cc1cc(C[C@H](C)NC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)[nH]n1 ZINC000269237421 910192336 /nfs/dbraw/zinc/19/23/36/910192336.db2.gz HAXIWMBNFPACOS-INIZCTEOSA-N 0 0 395.507 3.720 20 10 GHCDRN Cc1cncc(/C=C/C(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)c1 ZINC000269395965 910250582 /nfs/dbraw/zinc/25/05/82/910250582.db2.gz JVGHYRRPQFDGSE-RRGWEWPQSA-N 0 0 383.879 3.665 20 10 GHCDRN Cc1cc(Br)cc(CNc2c[nH]c(C(=O)N3CCCC3)c2)c1O ZINC001180708291 910319949 /nfs/dbraw/zinc/31/99/49/910319949.db2.gz RNXONLAFPAKZPV-UHFFFAOYSA-N 0 0 378.270 3.639 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)CCCNC(=O)c1ccccc1 ZINC001180962452 910459976 /nfs/dbraw/zinc/45/99/76/910459976.db2.gz JTMGUYMMLIOVSJ-QFIPXVFZSA-N 0 0 394.515 3.959 20 10 GHCDRN O=C([C@@H]1C[C@H]1c1c(F)cccc1F)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000246781250 910632922 /nfs/dbraw/zinc/63/29/22/910632922.db2.gz WNOVNOICYJUODX-GVDBMIGSSA-N 0 0 387.426 3.982 20 10 GHCDRN COc1ccc2cccc(CC(=O)N3CCCc4cc(O)c(O)cc4C3)c2c1 ZINC001181237712 910659207 /nfs/dbraw/zinc/65/92/07/910659207.db2.gz CSHZVDSZEQUKCA-UHFFFAOYSA-N 0 0 377.440 3.777 20 10 GHCDRN O=C(Cc1csc2ccc(Cl)cc12)NCCc1cc(O)c(O)cc1O ZINC001181425462 910750583 /nfs/dbraw/zinc/75/05/83/910750583.db2.gz HZLYOMOFDOTSQL-UHFFFAOYSA-N 0 0 377.849 3.573 20 10 GHCDRN Cc1ccc(Cc2ccccn2)cc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000801910306 921613595 /nfs/dbraw/zinc/61/35/95/921613595.db2.gz ZGWXLCUEUPYWAQ-UHFFFAOYSA-N 0 0 377.444 3.756 20 10 GHCDRN C[C@@H]1C[C@@H](CNC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)CCO1 ZINC000271612710 910984353 /nfs/dbraw/zinc/98/43/53/910984353.db2.gz WDHNTXIYDABXRK-MJGOQNOKSA-N 0 0 385.508 3.873 20 10 GHCDRN CCOc1ccccc1[C@@H](CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)NC(C)=O ZINC000773992903 911241927 /nfs/dbraw/zinc/24/19/27/911241927.db2.gz GORFOKIPNWRYEA-HRAATJIYSA-N 0 0 397.519 3.596 20 10 GHCDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc(N(C)C)cc1 ZINC000773994792 911242253 /nfs/dbraw/zinc/24/22/53/911242253.db2.gz ONSIHJKBVIGDFS-NSHDSACASA-N 0 0 392.253 3.914 20 10 GHCDRN C[C@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774198963 911480294 /nfs/dbraw/zinc/48/02/94/911480294.db2.gz QPOVGFSARACAJV-XOBRGWDASA-N 0 0 395.330 3.987 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ncc(C(C)C)s1 ZINC000283580974 911568337 /nfs/dbraw/zinc/56/83/37/911568337.db2.gz KGZRRWSPTQCMAI-UHFFFAOYSA-N 0 0 375.494 3.740 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnc(Cl)cc1C ZINC000283588992 911571184 /nfs/dbraw/zinc/57/11/84/911571184.db2.gz KYTYFCDQCJHJMG-UHFFFAOYSA-N 0 0 375.856 3.516 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[C@@H]([S@@](=O)CC)C1 ZINC000283606549 911581359 /nfs/dbraw/zinc/58/13/59/911581359.db2.gz LPGPBTZQUIBKBM-KABRZNFWSA-N 0 0 380.554 3.784 20 10 GHCDRN CCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1ccc(Cl)s1 ZINC000248129707 911743571 /nfs/dbraw/zinc/74/35/71/911743571.db2.gz PXHXPPHYFJVYBL-UHFFFAOYSA-N 0 0 379.957 3.948 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)NCC2CCCCC2)cc1 ZINC000774493225 911795680 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COc1ccc(N2CCCN(Cc3ccn(-c4ccccc4F)n3)CC2)cc1 ZINC000782483007 931237852 /nfs/dbraw/zinc/23/78/52/931237852.db2.gz OGARJPKIRSUIDN-UHFFFAOYSA-N 0 0 380.467 3.732 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](Cc3ccncc3)C2)cc1F ZINC000782514188 931249460 /nfs/dbraw/zinc/24/94/60/931249460.db2.gz LBIRNLCSIXQHHM-LJQANCHMSA-N 0 0 384.499 3.841 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC[C@H](c3ncccn3)C2)c1 ZINC000924328814 931327194 /nfs/dbraw/zinc/32/71/94/931327194.db2.gz QDUWLKRPLIULPA-IBGZPJMESA-N 0 0 388.471 3.716 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000783297233 931513660 /nfs/dbraw/zinc/51/36/60/931513660.db2.gz HBPBWPWEWKHVOR-GOEBONIOSA-N 0 0 392.496 3.619 20 10 GHCDRN O=C(C=Cc1cccc(OC2CCCC2)c1)OCC(=O)c1ccc(O)c(O)c1 ZINC000783438616 931545864 /nfs/dbraw/zinc/54/58/64/931545864.db2.gz FTERCXJOAQDNMQ-FLIBITNWSA-N 0 0 382.412 3.859 20 10 GHCDRN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783743003 931639713 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O=C(Cc1cccc(C2CC2)c1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000839550117 1026045322 /nfs/dbraw/zinc/04/53/22/1026045322.db2.gz SWSSTRNNXNEKQL-UHFFFAOYSA-N 0 0 382.479 3.523 20 10 GHCDRN CC1(C)C[C@@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc2O1 ZINC000839549715 1026045617 /nfs/dbraw/zinc/04/56/17/1026045617.db2.gz MADVYJMMLBVXSR-GOSISDBHSA-N 0 0 398.478 3.623 20 10 GHCDRN COCCOc1ccc(N2CCN(Cc3ccc4cc(F)ccc4n3)CC2)cc1 ZINC001141650839 1026070318 /nfs/dbraw/zinc/07/03/18/1026070318.db2.gz KGWFSAYBQQQATO-UHFFFAOYSA-N 0 0 395.478 3.721 20 10 GHCDRN CCCOc1ccc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cc1 ZINC000839635451 1026140843 /nfs/dbraw/zinc/14/08/43/1026140843.db2.gz ZSPNCRCZYUFUCI-KRWDZBQOSA-N 0 0 397.519 3.536 20 10 GHCDRN COc1ccc(-c2nccc(NC[C@@H]3CCN(c4ccc(OC)cc4)C3)n2)cc1 ZINC001163565902 1026236891 /nfs/dbraw/zinc/23/68/91/1026236891.db2.gz HHZAYCZAGMHGPZ-KRWDZBQOSA-N 0 0 390.487 3.521 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)C(C)(C)c3ccc(F)cc3F)C2)cc1 ZINC001461077207 1069378113 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393.531 3.626 20 10 GHCDRN CCN(CC)C(=O)c1ccc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cc1 ZINC000839917994 1026346591 /nfs/dbraw/zinc/34/65/91/1026346591.db2.gz INNKJNVLCNUBFZ-SFHVURJKSA-N 0 0 395.547 3.904 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cccc(NC(=O)N(C)C)c1 ZINC000839919908 1026347100 /nfs/dbraw/zinc/34/71/00/1026347100.db2.gz WWKQVXKIMMCZIK-INIZCTEOSA-N 0 0 382.508 3.516 20 10 GHCDRN Cc1ccc(N2CCC(C(=O)N[C@H](C)Cc3ccc(N(C)C)cc3C)CC2)nc1 ZINC000839920007 1026348082 /nfs/dbraw/zinc/34/80/82/1026348082.db2.gz ZHRZFHPBYQUGGA-LJQANCHMSA-N 0 0 394.563 3.728 20 10 GHCDRN Cc1cc(C(F)(F)F)c(=O)n(CN(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000839967409 1026379979 /nfs/dbraw/zinc/37/99/79/1026379979.db2.gz GETPJGONBFBNEW-UHFFFAOYSA-N 0 0 382.430 3.505 20 10 GHCDRN CCOc1ccncc1CN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001139631270 1026498407 /nfs/dbraw/zinc/49/84/07/1026498407.db2.gz CJOFPJHAXBCYJM-UHFFFAOYSA-N 0 0 381.398 3.701 20 10 GHCDRN Cc1noc(C)c1C[N@@H+]1CCCC12CCN(Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139681804 1026537645 /nfs/dbraw/zinc/53/76/45/1026537645.db2.gz YTWODSGSXKZXQJ-UHFFFAOYSA-N 0 0 391.462 3.906 20 10 GHCDRN COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139688058 1026538906 /nfs/dbraw/zinc/53/89/06/1026538906.db2.gz XWRYDEYFQHLXSC-OALUTQOASA-N 0 0 375.415 3.982 20 10 GHCDRN CN1C(=O)C[C@@H](c2ccccc2)C12CC[NH+](Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139683824 1026538946 /nfs/dbraw/zinc/53/89/46/1026538946.db2.gz MZNJZPNJHFBYIH-KRWDZBQOSA-N 0 0 386.442 3.651 20 10 GHCDRN CCOC(=O)[C@H]1CC[N@H+](Cc2c(F)ccc(F)c2[O-])C[C@H]1c1ccccc1 ZINC001139686249 1026539045 /nfs/dbraw/zinc/53/90/45/1026539045.db2.gz RBBMWCOIZZLUDP-HOTGVXAUSA-N 0 0 375.415 3.839 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)c2c[nH]nc2-c2ccccc2Cl)cc1 ZINC001164598063 1026562404 /nfs/dbraw/zinc/56/24/04/1026562404.db2.gz YQTJSHHSHKFXHG-UHFFFAOYSA-N 0 0 398.894 3.947 20 10 GHCDRN O=C(NCc1cc(Cl)ccc1O)c1cnnn1-c1cc(Cl)ccc1Cl ZINC001165508137 1026749450 /nfs/dbraw/zinc/74/94/50/1026749450.db2.gz LXPLWHZCURWYTF-UHFFFAOYSA-N 0 0 397.649 3.863 20 10 GHCDRN COc1cccc(-c2cc(NCc3ccc(N4CCCC4)cc3)n(CCO)n2)c1 ZINC001461140698 1069410127 /nfs/dbraw/zinc/41/01/27/1069410127.db2.gz FVUVRWOBDJTMRN-UHFFFAOYSA-N 0 0 392.503 3.763 20 10 GHCDRN COc1ccc(N2CCN(Cc3cnc(Br)cc3Cl)CC2)cc1 ZINC001140074269 1026854721 /nfs/dbraw/zinc/85/47/21/1026854721.db2.gz GCWOOQVGAXEUCT-UHFFFAOYSA-N 0 0 396.716 3.828 20 10 GHCDRN CCOC[C@@H]1CN(Cc2c(O)cccc2Br)Cc2cnn(CC)c21 ZINC001140100461 1026877708 /nfs/dbraw/zinc/87/77/08/1026877708.db2.gz PTKWNNBNJOXXPO-AWEZNQCLSA-N 0 0 394.313 3.507 20 10 GHCDRN CCN(Cc1ccccc1)C(=O)C[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC001461160326 1069419588 /nfs/dbraw/zinc/41/95/88/1069419588.db2.gz CJSRZHYHSXEWSV-UHFFFAOYSA-N 0 0 391.309 3.601 20 10 GHCDRN Cc1cc(CC(=O)N2CCSC[C@@H]2c2cnn(C)c2)c(C)n1-c1ccccc1 ZINC000834355028 1026948696 /nfs/dbraw/zinc/94/86/96/1026948696.db2.gz AQFGDTXWHRTDAH-OAQYLSRUSA-N 0 0 394.544 3.687 20 10 GHCDRN COC(=O)c1cnc(SC[C@@H](O)c2ccc(OC(F)(F)F)cc2)s1 ZINC000834382718 1026962199 /nfs/dbraw/zinc/96/21/99/1026962199.db2.gz OVWJBZVBHQYFHH-SNVBAGLBSA-N 0 0 379.381 3.654 20 10 GHCDRN COC(=O)c1cnc(SC[C@H](O)COc2ccc(Cl)cc2Cl)s1 ZINC000834383787 1026963186 /nfs/dbraw/zinc/96/31/86/1026963186.db2.gz WDVBQZJJZATTSF-SECBINFHSA-N 0 0 394.301 3.769 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2nc(Cl)nc3c2CSC3)C1 ZINC001166815555 1027092053 /nfs/dbraw/zinc/09/20/53/1027092053.db2.gz AUTLECBNGUSFQW-UHFFFAOYSA-N 0 0 386.908 3.940 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2nc(Cl)nc3c2COC3(C)C)C1 ZINC001166816114 1027093073 /nfs/dbraw/zinc/09/30/73/1027093073.db2.gz SYOCHVCSXRYUOP-UHFFFAOYSA-N 0 0 398.894 3.958 20 10 GHCDRN COC(=O)c1ccc(Cl)c(N2CCc3c(c4cc(OC)ccc4n3C)C2)n1 ZINC001166818962 1027095039 /nfs/dbraw/zinc/09/50/39/1027095039.db2.gz ZFWWIYMKRRBOGI-UHFFFAOYSA-N 0 0 385.851 3.585 20 10 GHCDRN Cc1noc(Cc2ccc(NC(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc2)n1 ZINC001209811192 1027207883 /nfs/dbraw/zinc/20/78/83/1027207883.db2.gz MPUKVGQVXQBUIR-CQSZACIVSA-N 0 0 379.464 3.918 20 10 GHCDRN Cc1ccc(S(=O)(=O)N(c2ccc(N)cc2)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001209936906 1027285519 /nfs/dbraw/zinc/28/55/19/1027285519.db2.gz YTNNYFAVYPMEBM-UHFFFAOYSA-N 0 0 398.444 3.595 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3cccc4ccn(C)c43)CC2)c(OC)c1 ZINC001203406799 1027318250 /nfs/dbraw/zinc/31/82/50/1027318250.db2.gz XGWOJGABXANYQO-UHFFFAOYSA-N 0 0 394.475 3.550 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2N(C(=O)/C=C\c2cncc(F)c2)C1 ZINC001276411318 1027371728 /nfs/dbraw/zinc/37/17/28/1027371728.db2.gz YRQGIMAKMZYLNU-GIFJBRJJSA-N 0 0 397.450 3.717 20 10 GHCDRN COc1ccc(N2CCCN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1 ZINC000840248483 1027379631 /nfs/dbraw/zinc/37/96/31/1027379631.db2.gz QKJUAKRAFVAXEE-UHFFFAOYSA-N 0 0 396.369 3.734 20 10 GHCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001203575318 1027445745 /nfs/dbraw/zinc/44/57/45/1027445745.db2.gz KMCXUQUMHZFJAI-LPHOPBHVSA-N 0 0 395.286 3.906 20 10 GHCDRN COc1cccc(C[N@@H+]2CCO[C@]3(CCCN(c4cccc(C)c4)C3)C2)c1O ZINC001203593012 1027457597 /nfs/dbraw/zinc/45/75/97/1027457597.db2.gz XYVDBHPTNAQISN-HSZRJFAPSA-N 0 0 382.504 3.581 20 10 GHCDRN C[C@@H](NC(=O)N1CC[C@]2(C1)CC(=O)c1ccccc1O2)c1ccc(N(C)C)cc1 ZINC000840355248 1027476144 /nfs/dbraw/zinc/47/61/44/1027476144.db2.gz ZIKJZVCHXWRUOX-WAIKUNEKSA-N 0 0 393.487 3.633 20 10 GHCDRN Oc1ccc(Br)cc1CN1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001203645540 1027502190 /nfs/dbraw/zinc/50/21/90/1027502190.db2.gz MDNPELQFFADTPZ-APWZRJJASA-N 0 0 387.321 3.861 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCCCNc1ccccn1 ZINC000840477909 1027561741 /nfs/dbraw/zinc/56/17/41/1027561741.db2.gz BEKLNHIDNMSYMA-SFHVURJKSA-N 0 0 383.540 3.579 20 10 GHCDRN COCCCN(Cc1ccncc1)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840479401 1027562451 /nfs/dbraw/zinc/56/24/51/1027562451.db2.gz OVDIRRRPTXIVPM-IBGZPJMESA-N 0 0 398.551 3.635 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000840483432 1027567962 /nfs/dbraw/zinc/56/79/62/1027567962.db2.gz 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ZINC001210891486 1027696889 /nfs/dbraw/zinc/69/68/89/1027696889.db2.gz VUCAZLUEARKMQN-UHFFFAOYSA-N 0 0 388.398 3.981 20 10 GHCDRN CCN(CC)c1ccc(CN2CCO[C@H](CCNC(=O)OC(C)(C)C)C2)cc1 ZINC001203935379 1027729374 /nfs/dbraw/zinc/72/93/74/1027729374.db2.gz FXXSQWSINQZMAC-HXUWFJFHSA-N 0 0 391.556 3.648 20 10 GHCDRN Cc1ccc(S(=O)(=O)Nc2cccc(N(CCO)c3ccc(N)cc3)c2)cc1 ZINC001211015333 1027752978 /nfs/dbraw/zinc/75/29/78/1027752978.db2.gz DRSLDZFQAALQIL-UHFFFAOYSA-N 0 0 397.500 3.508 20 10 GHCDRN CCOC(=O)[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)c1ccccc1 ZINC001141980520 1027803740 /nfs/dbraw/zinc/80/37/40/1027803740.db2.gz VZLJTNIXZAZPJO-NRFANRHFSA-N 0 0 382.504 3.837 20 10 GHCDRN CCc1ccccc1NC(=S)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840841718 1027873197 /nfs/dbraw/zinc/87/31/97/1027873197.db2.gz MQOOAUBXYOZIQI-UHFFFAOYSA-N 0 0 391.487 3.850 20 10 GHCDRN Oc1c(F)cc(Br)cc1CNc1cc(F)cc(N2CCOCC2)c1 ZINC001461313660 1069495364 /nfs/dbraw/zinc/49/53/64/1069495364.db2.gz KXRJOWBMTIWGAH-UHFFFAOYSA-N 0 0 399.235 3.882 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H](COC(N)=O)Cc2ccccc2)c1 ZINC000840961679 1027992952 /nfs/dbraw/zinc/99/29/52/1027992952.db2.gz XLZQCNQVOLZSIC-OAHLLOKOSA-N 0 0 393.281 3.673 20 10 GHCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000840977432 1028018425 /nfs/dbraw/zinc/01/84/25/1028018425.db2.gz HQJFSPKNAASYME-SKDRFNHKSA-N 0 0 393.119 3.558 20 10 GHCDRN COc1cc([C@H](C)NC(=O)C(=O)Nc2ccc(N)cc2)ccc1OCCC(C)C ZINC000841017871 1028042843 /nfs/dbraw/zinc/04/28/43/1028042843.db2.gz JNTCDMMFZKBJJR-HNNXBMFYSA-N 0 0 399.491 3.518 20 10 GHCDRN CN1CCN(c2ccc(CNc3cccc(OC[C@@H]4CCCO4)c3)cc2F)CC1 ZINC001461321828 1069499366 /nfs/dbraw/zinc/49/93/66/1069499366.db2.gz SFJOKZUGWUMPGX-NRFANRHFSA-N 0 0 399.510 3.747 20 10 GHCDRN C[C@H](NC(=O)[C@@H]1COCC[C@@H]1c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000841078950 1028098351 /nfs/dbraw/zinc/09/83/51/1028098351.db2.gz FGYJYNYJCXGTRF-CDNPAEQRSA-N 0 0 394.515 3.521 20 10 GHCDRN CCOCCOc1c(Cl)cccc1NC(=O)NCCc1ccc(N)cc1 ZINC000841088120 1028112857 /nfs/dbraw/zinc/11/28/57/1028112857.db2.gz YCIGPFCZGNFWBQ-UHFFFAOYSA-N 0 0 377.872 3.702 20 10 GHCDRN Cc1c(S(=O)(=O)N[C@H](C)c2ccccc2O)cnn1-c1ccc(Cl)cc1 ZINC001213415086 1028176335 /nfs/dbraw/zinc/17/63/35/1028176335.db2.gz JSFSJBCHIVIDOV-GFCCVEGCSA-N 0 0 391.880 3.579 20 10 GHCDRN Nc1ccc(NC(=O)C(=O)Nc2ccc(N3CCCCCCC3)c(F)c2)cc1 ZINC000841150138 1028219600 /nfs/dbraw/zinc/21/96/00/1028219600.db2.gz PYUJGIZRUQVXOW-UHFFFAOYSA-N 0 0 384.455 3.756 20 10 GHCDRN CCCN(C(=O)c1ccccc1NC(=O)NCCc1ccc(N)cc1)C(C)C ZINC000841151540 1028220813 /nfs/dbraw/zinc/22/08/13/1028220813.db2.gz IHOOHRZDZCUBNG-UHFFFAOYSA-N 0 0 382.508 3.894 20 10 GHCDRN COC(=O)Cc1cccc(Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)c1 ZINC001213716300 1028346693 /nfs/dbraw/zinc/34/66/93/1028346693.db2.gz WPEMCNXAXZEMCD-UHFFFAOYSA-N 0 0 387.391 3.627 20 10 GHCDRN Nc1ccc(NC(=O)N[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1 ZINC000841298351 1028390891 /nfs/dbraw/zinc/39/08/91/1028390891.db2.gz ARMMWJKGHLFWDH-SFHVURJKSA-N 0 0 379.382 3.811 20 10 GHCDRN Nc1ccc(NC(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 ZINC000841301348 1028395243 /nfs/dbraw/zinc/39/52/43/1028395243.db2.gz LWHCWKJODZQCGR-SFHVURJKSA-N 0 0 384.867 3.902 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)Nc3ccc4c(c3)CCCN4)CC2)cc1 ZINC000841302930 1028395579 /nfs/dbraw/zinc/39/55/79/1028395579.db2.gz FIKZXRMPTVWLTN-UHFFFAOYSA-N 0 0 380.492 3.844 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)c1nn(-c2ccccc2F)c2c1CCCC2 ZINC000841402008 1028570848 /nfs/dbraw/zinc/57/08/48/1028570848.db2.gz BAHVCGJCWFATFD-UHFFFAOYSA-N 0 0 379.435 3.868 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3cnc(=O)n(CC4CC4)c3)n2)cc1 ZINC001214189485 1028588069 /nfs/dbraw/zinc/58/80/69/1028588069.db2.gz CMZRGJDEGMRSNN-UHFFFAOYSA-N 0 0 387.443 3.778 20 10 GHCDRN COc1ccc(CNC(=O)c2nn(-c3ccccc3F)c3c2CCCC3)c(O)c1 ZINC000841434191 1028623056 /nfs/dbraw/zinc/62/30/56/1028623056.db2.gz WXMJLGCABLSVEH-UHFFFAOYSA-N 0 0 395.434 3.534 20 10 GHCDRN CC(C)(C)OC(=O)CC[C@@H]1CCCCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000841444135 1028639038 /nfs/dbraw/zinc/63/90/38/1028639038.db2.gz NDKIWFHVDFGCLC-CLOOOTJHSA-N 0 0 375.465 3.614 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3ncccc3OC3COC3)n2)cc1 ZINC001214429658 1028731200 /nfs/dbraw/zinc/73/12/00/1028731200.db2.gz JQMAXUQMYCRNRX-UHFFFAOYSA-N 0 0 388.427 3.984 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000841672661 1028821455 /nfs/dbraw/zinc/82/14/55/1028821455.db2.gz LYVZMTNKQQANPD-ZDUSSCGKSA-N 0 0 383.418 3.573 20 10 GHCDRN CCc1ccc(N2C[C@H](C(=O)N(CC)Cc3ccc(N(C)C)cc3)CC2=O)cc1 ZINC001142410496 1028834121 /nfs/dbraw/zinc/83/41/21/1028834121.db2.gz MBRFIYCMUOGKBH-HXUWFJFHSA-N 0 0 393.531 3.717 20 10 GHCDRN COc1cc(C[C@@H](CO)C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cc(OC)c1 ZINC000841756365 1028914068 /nfs/dbraw/zinc/91/40/68/1028914068.db2.gz WWLUPYRQIKNVIW-UKRRQHHQSA-N 0 0 379.884 3.565 20 10 GHCDRN CN(C)c1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1C(F)(F)F ZINC000841768046 1028926506 /nfs/dbraw/zinc/92/65/06/1028926506.db2.gz VLFUDWMYUPHWMA-UHFFFAOYSA-N 0 0 383.370 3.547 20 10 GHCDRN CC1CCN(C(=O)c2ccc(NC(=O)NCc3c(O)cccc3F)cc2)CC1 ZINC001214857438 1028940578 /nfs/dbraw/zinc/94/05/78/1028940578.db2.gz LXLAYGXDYVQHAF-UHFFFAOYSA-N 0 0 385.439 3.725 20 10 GHCDRN CCOC(=O)c1snnc1-c1nc(-c2cc(Cl)c(F)c(Cl)c2)no1 ZINC001214859537 1028941661 /nfs/dbraw/zinc/94/16/61/1028941661.db2.gz KRODVUJFESKGEE-UHFFFAOYSA-N 0 0 389.195 3.878 20 10 GHCDRN O=C([O-])[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000841794839 1028942171 /nfs/dbraw/zinc/94/21/71/1028942171.db2.gz KSZBAKXLXQPCFC-LJQANCHMSA-N 0 0 397.475 3.618 20 10 GHCDRN CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](C[C@@H]2CCOC2)C(=O)[O-])cc1 ZINC000841805610 1028952374 /nfs/dbraw/zinc/95/23/74/1028952374.db2.gz QXTKTZNMSFNHQM-UNMCSNQZSA-N 0 0 382.504 3.683 20 10 GHCDRN COC(=O)c1cc(NC(=O)N(C)Cc2ccccc2O)ccc1N1CCCCC1 ZINC000841806498 1028953421 /nfs/dbraw/zinc/95/34/21/1028953421.db2.gz WSLGFCJBNPXCGN-UHFFFAOYSA-N 0 0 397.475 3.833 20 10 GHCDRN CCc1nc2cc(CNC(=O)NCCc3ccc(N)cc3)ccc2n1C1CC1 ZINC000841905817 1028994774 /nfs/dbraw/zinc/99/47/74/1028994774.db2.gz RLLINYXPVMKYND-UHFFFAOYSA-N 0 0 377.492 3.558 20 10 GHCDRN COCC[C@@H](NC(=O)NCCc1ccc(N)cc1)c1cccc(C(F)(F)F)c1 ZINC000841912593 1028996861 /nfs/dbraw/zinc/99/68/61/1028996861.db2.gz MOSCYPMDRVDWIQ-GOSISDBHSA-N 0 0 395.425 3.907 20 10 GHCDRN Nc1ccc(CCNC(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000841954395 1029012526 /nfs/dbraw/zinc/01/25/26/1029012526.db2.gz LJVZESUIBXVCBD-GOSISDBHSA-N 0 0 375.925 3.964 20 10 GHCDRN Nc1ccc(CCNC(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)cc1 ZINC000841960712 1029015126 /nfs/dbraw/zinc/01/51/26/1029015126.db2.gz VJBJOEXRRPBPSR-GOSISDBHSA-N 0 0 393.409 3.613 20 10 GHCDRN CCOc1ccc(Br)cc1-c1noc(-c2ccc(O)c(O)c2)n1 ZINC001215304686 1029141207 /nfs/dbraw/zinc/14/12/07/1029141207.db2.gz YGABCWMIKXHNNG-UHFFFAOYSA-N 0 0 377.194 3.976 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1c(OC)cccc1SC ZINC000842207806 1029148114 /nfs/dbraw/zinc/14/81/14/1029148114.db2.gz VHJKHMMVJBEJNI-UHFFFAOYSA-N 0 0 388.489 3.500 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)N1C(=O)CN(Cc2ccc(F)cc2)C1=O ZINC000842265233 1029173445 /nfs/dbraw/zinc/17/34/45/1029173445.db2.gz RHHLMQGOUAZPHW-MRXNPFEDSA-N 0 0 383.467 3.596 20 10 GHCDRN Cc1cc(Br)c(O)c(CNc2ccc(F)c(-c3nnc[nH]3)c2)c1 ZINC001461506987 1069582616 /nfs/dbraw/zinc/58/26/16/1069582616.db2.gz PQWZXYCOWIPJLU-UHFFFAOYSA-N 0 0 377.217 3.999 20 10 GHCDRN CC(=O)c1cc(C(=O)NCc2ccc3cccnc3c2O)ccc1OC(C)C ZINC001142731391 1029356717 /nfs/dbraw/zinc/35/67/17/1029356717.db2.gz XJBRSYBSSGGGMO-UHFFFAOYSA-N 0 0 378.428 3.860 20 10 GHCDRN C[C@@H]1CC2(C[N@@H+]1Cc1c(O)ccc(C(=O)c3ccccc3)c1[O-])CCOCC2 ZINC000842636955 1029443644 /nfs/dbraw/zinc/44/36/44/1029443644.db2.gz GWYIGGGOKCKKST-MRXNPFEDSA-N 0 0 381.472 3.720 20 10 GHCDRN CC(C)CC(=O)N1CCCC[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001142847436 1029575624 /nfs/dbraw/zinc/57/56/24/1029575624.db2.gz PNGCZIGTSXVPPT-NRFANRHFSA-N 0 0 385.552 3.720 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)c3c(Cl)nc4ccccn43)C2)cc1 ZINC000842880903 1029660148 /nfs/dbraw/zinc/66/01/48/1029660148.db2.gz GWRMZJOXIUCDIH-CQSZACIVSA-N 0 0 385.851 3.680 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3ccc(C(F)(F)F)cn3)C2)cc1 ZINC000842882282 1029660901 /nfs/dbraw/zinc/66/09/01/1029660901.db2.gz UHYRTEHMXJZCQY-ZDUSSCGKSA-N 0 0 380.366 3.792 20 10 GHCDRN Cc1cc(C(=O)C[N@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000842935869 1029698185 /nfs/dbraw/zinc/69/81/85/1029698185.db2.gz ILOJAZZMGPQRFM-VFNWGFHPSA-N 0 0 382.504 3.936 20 10 GHCDRN CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H]2OCC[C@@H]2C1 ZINC000842944636 1029706206 /nfs/dbraw/zinc/70/62/06/1029706206.db2.gz CCKZSUGCTKGGIA-NQIIRXRSSA-N 0 0 391.519 3.988 20 10 GHCDRN C[C@H](C[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1)NC(=O)OC(C)(C)C ZINC001143175218 1029883637 /nfs/dbraw/zinc/88/36/37/1029883637.db2.gz OZDKJNDESTXYIL-GHMZBOCLSA-N 0 0 394.493 3.734 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1F ZINC001216795827 1029939384 /nfs/dbraw/zinc/93/93/84/1029939384.db2.gz ZLKYWNBNVMJXCC-UHFFFAOYSA-N 0 0 390.415 3.910 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC(Cc2c(F)cccc2F)C1 ZINC001222191459 1029995429 /nfs/dbraw/zinc/99/54/29/1029995429.db2.gz HUVWNJKXXYMQDA-UHFFFAOYSA-N 0 0 383.442 3.725 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@H](Cc3ccc(F)cc3)C(C)C)C2)cc1 ZINC001222316513 1030067223 /nfs/dbraw/zinc/06/72/23/1030067223.db2.gz KAGXQWVNWQYXDE-SIKLNZKXSA-N 0 0 399.510 3.980 20 10 GHCDRN COC(=O)c1c(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)nc2n1CCC2 ZINC001149137123 1030071489 /nfs/dbraw/zinc/07/14/89/1030071489.db2.gz DVMUGUAEWQEDIS-UHFFFAOYSA-N 0 0 392.459 3.584 20 10 GHCDRN [O-]c1c(CN2CC[C@]3(C2)CCCC[NH2+]3)cc(Br)cc1C(F)(F)F ZINC001222435814 1030128899 /nfs/dbraw/zinc/12/88/99/1030128899.db2.gz SVEJYQIBKUKELT-HNNXBMFYSA-N 0 0 393.247 3.892 20 10 GHCDRN Oc1ccc(-c2nc(-c3ccc4occc4c3)no2)cc1CN1CCOCC1 ZINC001217056041 1030129079 /nfs/dbraw/zinc/12/90/79/1030129079.db2.gz DSFHTGQOKFIVFJ-UHFFFAOYSA-N 0 0 377.400 3.688 20 10 GHCDRN COC[C@@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])c1cccc(OC)c1 ZINC001461614723 1069642143 /nfs/dbraw/zinc/64/21/43/1069642143.db2.gz IOEAQMJOYTZPTH-MRXNPFEDSA-N 0 0 384.245 3.780 20 10 GHCDRN COc1c(F)ccc(-c2noc(-c3ccc(S(=O)(=O)[N-][N+]#N)cc3)n2)c1F ZINC001217093624 1030156196 /nfs/dbraw/zinc/15/61/96/1030156196.db2.gz LNZSXMATPJQOCU-UHFFFAOYSA-N 0 0 393.331 3.689 20 10 GHCDRN C[C@H](NC(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1nc(C(C)(C)C)no1 ZINC001222683750 1030276613 /nfs/dbraw/zinc/27/66/13/1030276613.db2.gz BPZYSYXRZGXXLR-HNNXBMFYSA-N 0 0 385.512 3.870 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Cc1ccc(O)c(F)c1 ZINC001149899585 1030341956 /nfs/dbraw/zinc/34/19/56/1030341956.db2.gz GIYSFSYFQIUBPN-UHFFFAOYSA-N 0 0 382.229 3.591 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H](O)c2cccc(F)c2)c1 ZINC001150166596 1030435144 /nfs/dbraw/zinc/43/51/44/1030435144.db2.gz IPVKRSMBXXWXEA-OAQYLSRUSA-N 0 0 380.419 3.509 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3cn(C)n4cccc4c3=O)n2)cc1 ZINC001217517662 1030460914 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COc1cc(O)c(CN2CCC[C@@H]3[C@@H]2CN3C(=O)OC(C)(C)C)cc1Cl ZINC001232269041 1037991976 /nfs/dbraw/zinc/99/19/76/1037991976.db2.gz ZRADNESHSGFOGJ-CABCVRRESA-N 0 0 382.888 3.638 20 10 GHCDRN CCOc1cccc(N2CCN(Cc3cc(Cl)c(OC)cc3O)CC2)c1 ZINC001232269442 1037992250 /nfs/dbraw/zinc/99/22/50/1037992250.db2.gz ZZVDTQRVWNUSCX-UHFFFAOYSA-N 0 0 376.884 3.775 20 10 GHCDRN O=C1CSC(=S)N1Cc1nc(-c2ccc(Cl)cc2C(F)(F)F)no1 ZINC001247594333 1038266215 /nfs/dbraw/zinc/26/62/15/1038266215.db2.gz YUONRVBKYCJGFP-UHFFFAOYSA-N 0 0 393.799 3.769 20 10 GHCDRN COc1ccc(-c2ccc(-c3noc(CN4C(=O)CSC4=S)n3)cc2)cc1 ZINC001247596460 1038267140 /nfs/dbraw/zinc/26/71/40/1038267140.db2.gz PKZUVUOCIWAUIY-UHFFFAOYSA-N 0 0 397.481 3.773 20 10 GHCDRN COc1ccc(Br)c(-c2noc(Cc3ccc(O)c(O)c3)n2)c1 ZINC001247958836 1038515339 /nfs/dbraw/zinc/51/53/39/1038515339.db2.gz FGBURMYLKRUNIF-UHFFFAOYSA-N 0 0 377.194 3.510 20 10 GHCDRN COc1ccccc1O[C@@H]1CC[N@H+](Cc2c([O-])cc(Br)cc2F)C1 ZINC001233030643 1038783206 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390.524 3.510 20 10 GHCDRN COc1cc(Cl)cc(CN2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)c1O ZINC001233287707 1039066603 /nfs/dbraw/zinc/06/66/03/1039066603.db2.gz DHHDDFBMBMWKFI-ZDUSSCGKSA-N 0 0 384.904 3.886 20 10 GHCDRN COC(=O)c1cc(Br)c([O-])c(C[N@@H+]2CCC[C@H]2c2cccnc2)c1 ZINC001233306301 1039096874 /nfs/dbraw/zinc/09/68/74/1039096874.db2.gz MCFUAYARPUFWMV-INIZCTEOSA-N 0 0 391.265 3.673 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(Cc2c(O)ccc(F)c2F)[C@H](C(F)(F)F)C1 ZINC001233336657 1039138440 /nfs/dbraw/zinc/13/84/40/1039138440.db2.gz VBMGQLNKNFZEKG-ZDUSSCGKSA-N 0 0 396.356 3.654 20 10 GHCDRN O=C1CSC(=S)N1CCCc1nnc(-c2ccc(C(F)(F)F)cc2)o1 ZINC001252886647 1039231366 /nfs/dbraw/zinc/23/13/66/1039231366.db2.gz OINIEYUHZFISIY-UHFFFAOYSA-N 0 0 387.408 3.548 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](Cc4ccccc4)[C@H]3C)C2)cc1 ZINC001252925153 1039264303 /nfs/dbraw/zinc/26/43/03/1039264303.db2.gz ZWYQQPZXTOIQRO-NRSPTQNISA-N 0 0 393.531 3.937 20 10 GHCDRN O=C1N[C@H](c2ccccc2)C12CC[NH+](Cc1cccc(C(F)(F)F)c1[O-])CC2 ZINC001233417922 1039277583 /nfs/dbraw/zinc/27/75/83/1039277583.db2.gz MYFFGNPJVUOONZ-GOSISDBHSA-N 0 0 390.405 3.864 20 10 GHCDRN [O-]c1c(C[NH+]2CCC(Oc3ccc(Cl)nn3)CC2)cccc1C(F)(F)F ZINC001233419419 1039280640 /nfs/dbraw/zinc/28/06/40/1039280640.db2.gz XBWMBHZFVYFJAZ-UHFFFAOYSA-N 0 0 387.789 3.898 20 10 GHCDRN COc1cccnc1O[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233419874 1039281870 /nfs/dbraw/zinc/28/18/70/1039281870.db2.gz PSXUCSVYQNHBLR-AWEZNQCLSA-N 0 0 382.382 3.858 20 10 GHCDRN O=C(c1cccc(F)c1)N1CCN(Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233454400 1039344504 /nfs/dbraw/zinc/34/45/04/1039344504.db2.gz TYJZHKBLEJUJEF-UHFFFAOYSA-N 0 0 382.357 3.508 20 10 GHCDRN CCCC(=O)c1cc(O)c(O)cc1OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001233494245 1039386956 /nfs/dbraw/zinc/38/69/56/1039386956.db2.gz AXKRXBWJICENFQ-GOSISDBHSA-N 0 0 399.487 3.751 20 10 GHCDRN C[C@@H](Oc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1)c1cnccn1 ZINC001233516981 1039405766 /nfs/dbraw/zinc/40/57/66/1039405766.db2.gz 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Cc1cc(CCNC(=O)N2CC3(CCC3)OC[C@H]2C)c(C)n1-c1ccccc1 ZINC001233974843 1039739045 /nfs/dbraw/zinc/73/90/45/1039739045.db2.gz STPTVXTUUNNOKT-GOSISDBHSA-N 0 0 381.520 3.990 20 10 GHCDRN CC[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(OC)c(Cl)c1[O-])CC2 ZINC001277833446 1039871883 /nfs/dbraw/zinc/87/18/83/1039871883.db2.gz IYKIPZRBKTUUGC-ZFWWWQNUSA-N 0 0 380.916 3.571 20 10 GHCDRN CC(=O)c1cc(O)c(O)cc1O[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001234473328 1040057351 /nfs/dbraw/zinc/05/73/51/1040057351.db2.gz DBAUHSMNNFPZBG-SJCJKPOMSA-N 0 0 379.453 3.715 20 10 GHCDRN CC[NH+]1CCN(c2ccc(OC3CCN(c4ccc(C)cn4)CC3)cc2)CC1 ZINC001234661637 1040196050 /nfs/dbraw/zinc/19/60/50/1040196050.db2.gz WBMSUKWMUPTOPB-UHFFFAOYSA-N 0 0 380.536 3.580 20 10 GHCDRN Cc1nn(C)cc1[C@@H](C)Oc1c(O)c(=O)cc2[nH]c(-c3ccccc3)cc(O)c1-2 ZINC001234678467 1040210534 /nfs/dbraw/zinc/21/05/34/1040210534.db2.gz APAFMEQBSWMQRN-CYBMUJFWSA-N 0 0 391.427 3.788 20 10 GHCDRN CCc1ccc2oc(-c3ccc(O)c(O)c3)c(O[C@H]3COC[C@@H]3C)c(=O)c2c1 ZINC001234681470 1040213096 /nfs/dbraw/zinc/21/30/96/1040213096.db2.gz GINQVHIRLRBCJU-BUXKBTBVSA-N 0 0 382.412 3.847 20 10 GHCDRN O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O[C@H]3CCOc4ccccc43)c21 ZINC001234748120 1040274119 /nfs/dbraw/zinc/27/41/19/1040274119.db2.gz FTHXBMTVUGHDNJ-KRWDZBQOSA-N 0 0 392.363 3.966 20 10 GHCDRN COc1c(O[C@H](C)C2CC2)c(OC)c2c(c1OC)C(=O)c1ccccc1C2=O ZINC001234794838 1040326799 /nfs/dbraw/zinc/32/67/99/1040326799.db2.gz HKIFPPAHFRININ-LLVKDONJSA-N 0 0 382.412 3.665 20 10 GHCDRN CCOC[C@H]1CN(Cc2cccc(-c3ccccc3)c2O)Cc2nnn(CC)c21 ZINC001234989876 1040486229 /nfs/dbraw/zinc/48/62/29/1040486229.db2.gz XGVSDSIMZOHSAB-LJQANCHMSA-N 0 0 392.503 3.807 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)C[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234990434 1040486258 /nfs/dbraw/zinc/48/62/58/1040486258.db2.gz GXILNWHOKGKMKT-RTBURBONSA-N 0 0 398.503 3.519 20 10 GHCDRN CC(=O)N1CCCC[C@@]12CCC[N@H+](Cc1cc(Br)cc(F)c1[O-])C2 ZINC001235066125 1040555378 /nfs/dbraw/zinc/55/53/78/1040555378.db2.gz WDFHUZMCTLUHKU-SFHVURJKSA-N 0 0 399.304 3.661 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001235076609 1040565209 /nfs/dbraw/zinc/56/52/09/1040565209.db2.gz YUYYCXVJPXWCLB-HNNXBMFYSA-N 0 0 381.245 3.732 20 10 GHCDRN CC(C)(C)OC(=O)N1C[C@@H]2COC[C@H](C1)N2Cc1ccc(C(C)(C)C)cc1O ZINC001235683733 1041150614 /nfs/dbraw/zinc/15/06/14/1041150614.db2.gz UHGNJLWBVQSZFA-HDICACEKSA-N 0 0 390.524 3.510 20 10 GHCDRN COC(=O)C[C@@](C)([NH2+]Cc1cc(Cl)cc(Br)c1[O-])C1CC1 ZINC001462519924 1070324676 /nfs/dbraw/zinc/32/46/76/1070324676.db2.gz PVRRIKGTQOMVNI-OAHLLOKOSA-N 0 0 376.678 3.630 20 10 GHCDRN CC[C@@H]1CN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CCO1 ZINC001235832737 1041355619 /nfs/dbraw/zinc/35/56/19/1041355619.db2.gz GLYCXLRZSKPWPQ-DOTOQJQBSA-N 0 0 379.932 3.897 20 10 GHCDRN CCN(Cc1cc(Br)cc(C(F)(F)F)c1[O-])[C@H]1CCC[NH2+]C1 ZINC001236011332 1041504810 /nfs/dbraw/zinc/50/48/10/1041504810.db2.gz WYKRIWRSJQPZJC-LBPRGKRZSA-N 0 0 381.236 3.747 20 10 GHCDRN O=C1N(CC(F)(F)F)CC[C@]12CCCN2Cc1c(O)ccc(Cl)c1Cl ZINC001277992538 1041799770 /nfs/dbraw/zinc/79/97/70/1041799770.db2.gz JPLDYJWNALUIEB-OAHLLOKOSA-N 0 0 397.224 3.828 20 10 GHCDRN CC[C@@H](C)N1C[C@@]2(F)CN(Cc3c(O)ccc(Cl)c3Cl)C[C@@]2(F)C1=O ZINC001277992984 1041800528 /nfs/dbraw/zinc/80/05/28/1041800528.db2.gz QQHAITVIQLLFNC-GPNNCHTKSA-N 0 0 393.261 3.572 20 10 GHCDRN COc1cc(CN2CCC(Oc3ccccn3)CC2)c(O)cc1Br ZINC001236753612 1041872823 /nfs/dbraw/zinc/87/28/23/1041872823.db2.gz QGIAOYYOIHACHG-UHFFFAOYSA-N 0 0 393.281 3.602 20 10 GHCDRN CCc1ccc(CN2Cc3ncn(C)c3[C@H](COCC3CCCC3)C2)c(O)c1 ZINC001236786293 1041891664 /nfs/dbraw/zinc/89/16/64/1041891664.db2.gz NQGXDNAWQIVKGW-FQEVSTJZSA-N 0 0 383.536 3.994 20 10 GHCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@@]2(C1)CCCN(c1ncccn1)C2 ZINC001236789429 1041895643 /nfs/dbraw/zinc/89/56/43/1041895643.db2.gz GGNAVKIEWHONTJ-LJQANCHMSA-N 0 0 393.318 3.982 20 10 GHCDRN Oc1ccc(OCc2ccccc2)cc1CN1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001236789380 1041896054 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CCN(CC)c1ccc(CN(C)C(=O)[C@]2(C(=O)OC)C[C@@H]2c2ccccc2)cc1 ZINC001463779763 1064611026 /nfs/dbraw/zinc/61/10/26/1064611026.db2.gz UIFMEDLCFIYQQK-QPPBQGQZSA-N 0 0 394.515 3.838 20 10 GHCDRN COCCCN(C(=O)/C(C)=C\c1cccnc1)c1ccc(Br)cn1 ZINC000847083767 1064670416 /nfs/dbraw/zinc/67/04/16/1064670416.db2.gz JCPMDICWPKVZDJ-KAMYIIQDSA-N 0 0 390.281 3.712 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2ccc3c(c2)N[C@H](C)CC(=O)N3)cc1 ZINC001464297339 1064945870 /nfs/dbraw/zinc/94/58/70/1064945870.db2.gz LWODGZGISDWJST-OAHLLOKOSA-N 0 0 380.492 3.605 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000847251223 1064952883 /nfs/dbraw/zinc/95/28/83/1064952883.db2.gz SVGMPVULHAJDHI-IRXDYDNUSA-N 0 0 385.430 3.586 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc(=O)[nH]c(C3CC3)n2)cc1 ZINC000847325800 1065061807 /nfs/dbraw/zinc/06/18/07/1065061807.db2.gz UVBOGCLAMYREQL-UHFFFAOYSA-N 0 0 392.459 3.561 20 10 GHCDRN Cc1cc(CC(=O)NCc2ccnc(N3CCCC3)c2)c(C)n1-c1ccccc1 ZINC001352566748 1065141261 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GHCDRN CCOC(=O)c1cnc(C)c(NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC001465950724 1065935048 /nfs/dbraw/zinc/93/50/48/1065935048.db2.gz ZBHDSXQBKNWHFB-OAHLLOKOSA-N 0 0 398.507 3.694 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)Nc2ccc(OCCO)cc2)CCCC1 ZINC001465951581 1065935664 /nfs/dbraw/zinc/93/56/64/1065935664.db2.gz OAASPNLBIBNOFE-UHFFFAOYSA-N 0 0 394.471 3.539 20 10 GHCDRN Cn1cc(C(=O)NCc2c(O)ccc3c2CCCC3)c(-c2cc(F)ccc2F)n1 ZINC001465955509 1065936506 /nfs/dbraw/zinc/93/65/06/1065936506.db2.gz YPQRSMDMRGXVCT-UHFFFAOYSA-N 0 0 397.425 3.880 20 10 GHCDRN COc1cccc(Oc2ccc(C(=O)NCc3cccc(OC)c3O)nc2)c1 ZINC001465992748 1065948833 /nfs/dbraw/zinc/94/88/33/1065948833.db2.gz LNIICLBGTRUGRX-UHFFFAOYSA-N 0 0 380.400 3.527 20 10 GHCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC001300399691 1066221100 /nfs/dbraw/zinc/22/11/00/1066221100.db2.gz MFHPKVWMMNRWTH-INIZCTEOSA-N 0 0 394.858 3.868 20 10 GHCDRN Cc1cc(C(=O)N[C@H](CO)CC(C)C)c(C)n1-c1ccccc1Br ZINC001300404306 1066235124 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C[C@@H]1CN(c2ccc(CNC(=O)c3cccc4cnccc43)cc2F)C[C@H](C)O1 ZINC000744465466 868864278 /nfs/dbraw/zinc/86/42/78/868864278.db2.gz REBDVCQMGUTOMP-IYBDPMFKSA-N 0 0 393.462 3.918 20 10 GHCDRN COC(=O)[C@@H](OC(=O)c1cc(C)n(-c2ccccn2)c1C)c1ccccc1F ZINC000744692652 869016058 /nfs/dbraw/zinc/01/60/58/869016058.db2.gz QYIVFWZYZXZEPC-IBGZPJMESA-N 0 0 382.391 3.699 20 10 GHCDRN Cc1cc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c(C)cc1Cl ZINC000793547294 882259187 /nfs/dbraw/zinc/25/91/87/882259187.db2.gz BJBFLRNGFKHQBE-UHFFFAOYSA-N 0 0 385.895 3.911 20 10 GHCDRN C[C@@H]([NH2+]Cc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1ccc(F)cc1[O-] ZINC000793562933 882271356 /nfs/dbraw/zinc/27/13/56/882271356.db2.gz XPXVXROCQSYGOH-MCMMXHMISA-N 0 0 397.450 3.607 20 10 GHCDRN CC1(C)Cc2cc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)ccc2O1 ZINC000857476219 882290600 /nfs/dbraw/zinc/29/06/00/882290600.db2.gz VJHYTOJKCIVSKH-LJQANCHMSA-N 0 0 381.472 3.927 20 10 GHCDRN C[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@H](c2ccsc2)O1 ZINC000151531967 869475212 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/nfs/dbraw/zinc/35/87/85/882358785.db2.gz CSDWPOXEFGVILN-LJQANCHMSA-N 0 0 395.547 3.545 20 10 GHCDRN CCN(Cc1csc(CC(=O)OC(C)C)n1)c1ccc(OC)c(OC)c1 ZINC000746101430 870046101 /nfs/dbraw/zinc/04/61/01/870046101.db2.gz CRPOZRFOJGRHCG-UHFFFAOYSA-N 0 0 378.494 3.681 20 10 GHCDRN Cc1cccc(C)c1OCCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000065434262 870097570 /nfs/dbraw/zinc/09/75/70/870097570.db2.gz RMWTYBFKITVCIU-IBGZPJMESA-N 0 0 397.519 3.579 20 10 GHCDRN CCOCc1ccccc1CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000065434434 870098882 /nfs/dbraw/zinc/09/88/82/870098882.db2.gz DHMLUENGCWOAGG-SFHVURJKSA-N 0 0 397.519 3.620 20 10 GHCDRN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC2CC2)CC(C)C)cc1 ZINC000746170764 870101504 /nfs/dbraw/zinc/10/15/04/870101504.db2.gz DTUFFMOTFSKUAM-UHFFFAOYSA-N 0 0 395.503 3.689 20 10 GHCDRN Cc1cccc(OCCN(C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000065435325 870104145 /nfs/dbraw/zinc/10/41/45/870104145.db2.gz NPKRUWHVPVXEFT-LJQANCHMSA-N 0 0 397.519 3.613 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCCc2ccc(OC)cc2OC)cc1 ZINC000746232776 870119292 /nfs/dbraw/zinc/11/92/92/870119292.db2.gz BCNRYOHKPVSZRT-UHFFFAOYSA-N 0 0 385.508 3.592 20 10 GHCDRN O=C1N=C(N2CCOCC2)S/C1=C/c1c(OC(F)F)ccc2ccccc21 ZINC000747147921 882423692 /nfs/dbraw/zinc/42/36/92/882423692.db2.gz HRUXHIBPIDRKAG-LFIBNONCSA-N 0 0 390.411 3.744 20 10 GHCDRN CC[C@H](Nc1cnn(CC(=O)NC2CCCC2)c1)c1cc(Cl)ccc1O ZINC000775541776 870600509 /nfs/dbraw/zinc/60/05/09/870600509.db2.gz FYGWIDQMZUMCKH-KRWDZBQOSA-N 0 0 376.888 3.864 20 10 GHCDRN C[C@H](NC(=O)Nc1nc2c(s1)CCCC2)c1ccc(N2CCOCC2)cc1 ZINC000920869391 882427271 /nfs/dbraw/zinc/42/72/71/882427271.db2.gz XCWXVAMUDVCEFB-AWEZNQCLSA-N 0 0 386.521 3.741 20 10 GHCDRN CSc1ccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)cc1Cl ZINC000766357361 870637609 /nfs/dbraw/zinc/63/76/09/870637609.db2.gz KMANEVYZLJXPCO-UHFFFAOYSA-N 0 0 398.937 3.699 20 10 GHCDRN Cc1cc(CCNC(=O)c2cc(=O)c3ccccc3[nH]2)c(C)n1-c1ccccc1 ZINC000746424797 870654871 /nfs/dbraw/zinc/65/48/71/870654871.db2.gz OKUUXFJNHAPSMS-UHFFFAOYSA-N 0 0 385.467 3.908 20 10 GHCDRN C[C@@H](NC(=O)Nc1ccc(CCN2CCOCC2)cc1)c1ccc(N(C)C)cc1 ZINC000775545926 870662859 /nfs/dbraw/zinc/66/28/59/870662859.db2.gz GITURBGALWFWOQ-GOSISDBHSA-N 0 0 396.535 3.510 20 10 GHCDRN COC(=O)CSCCNC(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C ZINC000729846156 882441683 /nfs/dbraw/zinc/44/16/83/882441683.db2.gz AFIUMWIIVSYTCB-UHFFFAOYSA-N 0 0 388.533 3.854 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(OC(C)(C)C)cc1 ZINC000793816693 882445379 /nfs/dbraw/zinc/44/53/79/882445379.db2.gz BXEPSERSAOZTJG-UHFFFAOYSA-N 0 0 398.503 3.625 20 10 GHCDRN COc1cc(C(=O)N(C[C@@H](O)c2ccc3ccccc3c2)C(C)C)cc(O)c1O ZINC001193098433 870882854 /nfs/dbraw/zinc/88/28/54/870882854.db2.gz RTIMXKMOBQJLDT-HXUWFJFHSA-N 0 0 395.455 3.844 20 10 GHCDRN COc1cc(C(=O)Nc2cccc3c(Br)c[nH]c32)cc(O)c1O ZINC001193104157 870886196 /nfs/dbraw/zinc/88/61/96/870886196.db2.gz HONODTDMRILCRK-UHFFFAOYSA-N 0 0 377.194 3.603 20 10 GHCDRN COc1cc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C(F)(F)C2)cc(O)c1O ZINC001193096908 870905524 /nfs/dbraw/zinc/90/55/24/870905524.db2.gz CZUPGBGGGSSTFV-CQSZACIVSA-N 0 0 395.377 3.586 20 10 GHCDRN CN(C)c1ccc(-c2nc(C(=O)Nc3ccccc3-c3nc[nH]n3)cs2)cc1 ZINC001193172192 870905638 /nfs/dbraw/zinc/90/56/38/870905638.db2.gz CWISMTSXCNLCKR-UHFFFAOYSA-N 0 0 390.472 3.914 20 10 GHCDRN Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Br)c(=O)[nH]2)cc1 ZINC001193153652 870922970 /nfs/dbraw/zinc/92/29/70/870922970.db2.gz VMOLWJZTBXFXQO-UHFFFAOYSA-N 0 0 398.260 3.979 20 10 GHCDRN CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC000729587795 870997366 /nfs/dbraw/zinc/99/73/66/870997366.db2.gz RKIQZVHQOOQDNU-ZDUSSCGKSA-N 0 0 398.419 3.587 20 10 GHCDRN COc1ccc(N2CCN(C(=O)COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000003555517 871117205 /nfs/dbraw/zinc/11/72/05/871117205.db2.gz NAMIZPGBUPKTNI-UHFFFAOYSA-N 0 0 395.286 3.730 20 10 GHCDRN CCN(CC)c1ccc(CNc2cc(C(C)=O)ccc2S(C)(=O)=O)cc1F ZINC000181590091 871241228 /nfs/dbraw/zinc/24/12/28/871241228.db2.gz LQBXHZLPUWFHFD-UHFFFAOYSA-N 0 0 392.496 3.890 20 10 GHCDRN C[C@H](CC(F)(F)F)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000766660758 871384331 /nfs/dbraw/zinc/38/43/31/871384331.db2.gz WNIKRBJMKQAWCD-VXGBXAGGSA-N 0 0 395.372 3.897 20 10 GHCDRN CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)NCc3ccno3)cc2)cc1 ZINC001194206873 871555172 /nfs/dbraw/zinc/55/51/72/871555172.db2.gz FZTUVPPMQINGJM-QURGRASLSA-N 0 0 385.449 3.635 20 10 GHCDRN CCc1onc(C)c1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000175292353 882566066 /nfs/dbraw/zinc/56/60/66/882566066.db2.gz CBLQVHXKMAXNNB-CYBMUJFWSA-N 0 0 379.407 3.546 20 10 GHCDRN Cc1cnc(C)c(C(=O)Nc2ccc(NC(=O)Nc3ccc(N)cc3)cc2)n1 ZINC001194918634 872031743 /nfs/dbraw/zinc/03/17/43/872031743.db2.gz HVPCMIPBELUJCR-UHFFFAOYSA-N 0 0 376.420 3.572 20 10 GHCDRN Cn1ccc([C@H](NCc2ccc(N3CCSCC3)cc2)c2ccc(F)cc2)n1 ZINC000775622065 872060007 /nfs/dbraw/zinc/06/00/07/872060007.db2.gz PDGVKKVTRLLJDR-JOCHJYFZSA-N 0 0 396.535 3.992 20 10 GHCDRN CC[C@H](C)OC(=O)NCc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001195136503 872191773 /nfs/dbraw/zinc/19/17/73/872191773.db2.gz GUUSMZSTVDIYQR-INIZCTEOSA-N 0 0 391.512 3.768 20 10 GHCDRN O=C(c1ccccc1NN=C1C=CC(=O)C=C1)N1CCC(n2cnnc2)CC1 ZINC001195266754 872293028 /nfs/dbraw/zinc/29/30/28/872293028.db2.gz YHNICXZNOWMTEN-WCWDXBQESA-N 0 0 376.420 3.876 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NCc2csc(CC(=O)Nc3ccccc3)n2)c1 ZINC000182404523 872310522 /nfs/dbraw/zinc/31/05/22/872310522.db2.gz YHYARFISCWTEOD-CQSZACIVSA-N 0 0 397.500 3.889 20 10 GHCDRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000767200171 872321822 /nfs/dbraw/zinc/32/18/22/872321822.db2.gz TWZAGNXCQWGNDS-NRFANRHFSA-N 0 0 397.519 3.710 20 10 GHCDRN CCOC(=O)CN(CCOc1ccc(SC)cc1)Cc1ccccc1O ZINC001195358856 872347284 /nfs/dbraw/zinc/34/72/84/872347284.db2.gz RVWZYWQCROWWGR-UHFFFAOYSA-N 0 0 375.490 3.558 20 10 GHCDRN CC(C)(C)Oc1cccc(CNC(=O)NCc2c(O)ccc3c2CCCC3)n1 ZINC000767260225 872368113 /nfs/dbraw/zinc/36/81/13/872368113.db2.gz HOARSDBDUNSHEQ-UHFFFAOYSA-N 0 0 383.492 3.843 20 10 GHCDRN C[C@@H]1C[C@@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C[C@H](C)O1 ZINC000767322150 872422953 /nfs/dbraw/zinc/42/29/53/872422953.db2.gz RYEQNNTVCYXWEX-MIFYACCESA-N 0 0 397.466 3.512 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(C(=O)NC(C)C)cc2)cc1F ZINC000767360148 872452796 /nfs/dbraw/zinc/45/27/96/872452796.db2.gz GPMIHGVXQUJGHB-UHFFFAOYSA-N 0 0 385.483 3.740 20 10 GHCDRN CC(C)NC(=O)c1ccc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000767360348 872454476 /nfs/dbraw/zinc/45/44/76/872454476.db2.gz ICIKRNAQTZOLPG-UHFFFAOYSA-N 0 0 393.531 3.991 20 10 GHCDRN Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c(O)c1O ZINC000182551461 872518594 /nfs/dbraw/zinc/51/85/94/872518594.db2.gz VTUJSYJTYUKRIJ-OAHLLOKOSA-N 0 0 381.350 3.639 20 10 GHCDRN Cc1ccc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(F)c3[O-])CC2)s1 ZINC000775666384 872533759 /nfs/dbraw/zinc/53/37/59/872533759.db2.gz XFICTUUJZFPCMW-UHFFFAOYSA-N 0 0 382.888 3.949 20 10 GHCDRN Cc1nc(C(C)C)oc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000794237988 882642033 /nfs/dbraw/zinc/64/20/33/882642033.db2.gz GQIGKSDAXZQWKT-KBPBESRZSA-N 0 0 389.471 3.789 20 10 GHCDRN Cc1oc2ccccc2c1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000767639766 872707283 /nfs/dbraw/zinc/70/72/83/872707283.db2.gz GKKKHAWTZFWWHU-UHFFFAOYSA-N 0 0 380.444 3.623 20 10 GHCDRN CC[C@H](C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(OC)cc1 ZINC000775676512 872806914 /nfs/dbraw/zinc/80/69/14/872806914.db2.gz XQRJFWMQPGBSJC-JTSKRJEESA-N 0 0 382.504 3.903 20 10 GHCDRN CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-] ZINC000767766288 872820823 /nfs/dbraw/zinc/82/08/23/872820823.db2.gz RTEBJNCNPGMCGI-JTSKRJEESA-N 0 0 388.552 3.828 20 10 GHCDRN COc1cccc(NC(=S)NCc2ncc(Cl)cc2Br)c1 ZINC001196068994 872859307 /nfs/dbraw/zinc/85/93/07/872859307.db2.gz JLOCXFXEEUGHDD-UHFFFAOYSA-N 0 0 386.702 3.993 20 10 GHCDRN CCCCC[C@@H]1CCCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000767935180 872969806 /nfs/dbraw/zinc/96/98/06/872969806.db2.gz AUYHHVLBPMKQAH-GOSISDBHSA-N 0 0 377.504 3.917 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnc(OCC2CC2)c(Cl)c1 ZINC000182946787 872998164 /nfs/dbraw/zinc/99/81/64/872998164.db2.gz ILFMKOMVWKFKGA-UHFFFAOYSA-N 0 0 387.867 3.629 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NS(=O)(=O)c1ccc(Cl)cn1 ZINC001196274622 873011290 /nfs/dbraw/zinc/01/12/90/873011290.db2.gz PCGKCDVOINLRQQ-QGZVFWFLSA-N 0 0 380.897 3.659 20 10 GHCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1[O-] ZINC000768162138 873122405 /nfs/dbraw/zinc/12/24/05/873122405.db2.gz MAXAQOGWKZGGHZ-INIZCTEOSA-N 0 0 392.839 3.841 20 10 GHCDRN CC(=O)c1cc(F)cc(CN2CCOc3cc(Br)ccc3C2)c1O ZINC001196450685 873134913 /nfs/dbraw/zinc/13/49/13/873134913.db2.gz JIDDLZZLLIOAKL-UHFFFAOYSA-N 0 0 394.240 3.891 20 10 GHCDRN Cc1oc2ccccc2c1CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000768202426 873139701 /nfs/dbraw/zinc/13/97/01/873139701.db2.gz YPHSVWHMHKZCEM-UHFFFAOYSA-N 0 0 396.462 3.700 20 10 GHCDRN C[C@@H](NS(=O)(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1ccccc1O ZINC001196508034 873149500 /nfs/dbraw/zinc/14/95/00/873149500.db2.gz WRYRHUSJEMTVMY-CYBMUJFWSA-N 0 0 392.477 3.779 20 10 GHCDRN COc1cccc(O)c1CN(C)CC(=O)Nc1ccc(Br)cc1C ZINC000768181518 873151192 /nfs/dbraw/zinc/15/11/92/873151192.db2.gz XIFPEBBQLRYUTM-UHFFFAOYSA-N 0 0 393.281 3.542 20 10 GHCDRN Cc1nn(C)c(OCC(F)(F)F)c1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000768258169 873195771 /nfs/dbraw/zinc/19/57/71/873195771.db2.gz RTMDIACCNYPXLI-UHFFFAOYSA-N 0 0 396.457 3.900 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000102524339 873251917 /nfs/dbraw/zinc/25/19/17/873251917.db2.gz FKFONWZCAIRVMP-UHFFFAOYSA-N 0 0 384.436 3.702 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](c1nccn1C)c1cccc(F)c1 ZINC000115790303 882708353 /nfs/dbraw/zinc/70/83/53/882708353.db2.gz QYSUCQMMCXPXII-FQEVSTJZSA-N 0 0 395.482 3.522 20 10 GHCDRN Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3cc(Cl)c(F)cc3[O-])CC2)o1 ZINC000527587981 873325666 /nfs/dbraw/zinc/32/56/66/873325666.db2.gz PCSHHCXWPZJYJA-UHFFFAOYSA-N 0 0 380.847 3.789 20 10 GHCDRN CN(Cc1cc2c(cc1O)CCCC2)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000768463024 873327969 /nfs/dbraw/zinc/32/79/69/873327969.db2.gz QDFGWUKWQVSIBK-SFHVURJKSA-N 0 0 391.920 3.885 20 10 GHCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c1[O-] ZINC000858014690 882722656 /nfs/dbraw/zinc/72/26/56/882722656.db2.gz OJDLRHVVCJZNBH-INIZCTEOSA-N 0 0 389.839 3.880 20 10 GHCDRN COc1cc(C)c(S(=O)(=O)N(C)Cc2ccc(N3CCCC3)cc2)c(C)c1 ZINC001196864404 873443493 /nfs/dbraw/zinc/44/34/93/873443493.db2.gz BCVRBOVJCVEUAV-UHFFFAOYSA-N 0 0 388.533 3.733 20 10 GHCDRN COC(=O)[C@H](C(C)C)N(C)S(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197176337 873640271 /nfs/dbraw/zinc/64/02/71/873640271.db2.gz RFXNIIWLOIAPMJ-MKSIGINJSA-N 0 0 389.477 3.920 20 10 GHCDRN COc1ccc(Cn2cc(NC(=O)N[C@H](C)c3cc(OC)ccc3O)cn2)cc1 ZINC000794390307 882746131 /nfs/dbraw/zinc/74/61/31/882746131.db2.gz UUICEPFLFFXIAF-CQSZACIVSA-N 0 0 396.447 3.537 20 10 GHCDRN COc1ccc(Nc2ccccc2C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000768903346 873661169 /nfs/dbraw/zinc/66/11/69/873661169.db2.gz CSKUPERKEGBKKF-UHFFFAOYSA-N 0 0 378.428 3.823 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3ccc(F)cc3Cl)CC2)c(OC)c1 ZINC001197384984 873755398 /nfs/dbraw/zinc/75/53/98/873755398.db2.gz UAGMCMPWHGVHJH-UHFFFAOYSA-N 0 0 393.846 3.850 20 10 GHCDRN COc1cccc(CS(=O)(=O)[N-]c2cccc3c2C(=O)c2ccccc2-3)c1 ZINC001197386226 873757828 /nfs/dbraw/zinc/75/78/28/873757828.db2.gz VVNMHGWJLPDKQI-UHFFFAOYSA-N 0 0 379.437 3.849 20 10 GHCDRN COc1ccc(N2CCN(C(=O)N[C@H](C3CCCC3)C(F)(F)F)CC2)cc1 ZINC000775775099 873837616 /nfs/dbraw/zinc/83/76/16/873837616.db2.gz YQGDQEKXNKGGSO-QGZVFWFLSA-N 0 0 385.430 3.648 20 10 GHCDRN C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1=O ZINC000769153063 873852499 /nfs/dbraw/zinc/85/24/99/873852499.db2.gz IATCBTMHMSRMNI-NRFANRHFSA-N 0 0 391.431 3.761 20 10 GHCDRN C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1=O ZINC000769153069 873852519 /nfs/dbraw/zinc/85/25/19/873852519.db2.gz IATCBTMHMSRMNI-OAQYLSRUSA-N 0 0 391.431 3.761 20 10 GHCDRN CCOC(=O)c1cccc(CNC(=S)Nc2ccc(OC(F)(F)F)cc2)n1 ZINC001197531571 873860789 /nfs/dbraw/zinc/86/07/89/873860789.db2.gz CJKYPILIWWGGNY-UHFFFAOYSA-N 0 0 399.394 3.644 20 10 GHCDRN Cc1cc(C(=O)CN2CCOC3(CCOCC3)CC2)c(C)n1-c1ccc(C)cc1 ZINC000769228545 873905647 /nfs/dbraw/zinc/90/56/47/873905647.db2.gz CIAZRZNMKWTDFK-UHFFFAOYSA-N 0 0 396.531 3.857 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Cn1cc2ccccc2n1 ZINC000769296483 873946996 /nfs/dbraw/zinc/94/69/96/873946996.db2.gz IJAUQWOWLRHBDY-UHFFFAOYSA-N 0 0 388.265 3.553 20 10 GHCDRN C[N@H+](Cc1cccc(Br)c1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769333735 873973449 /nfs/dbraw/zinc/97/34/49/873973449.db2.gz JVPAEZISNYVKHA-CYBMUJFWSA-N 0 0 385.302 3.596 20 10 GHCDRN O=C(N[C@@H](C(=O)NCc1ccccc1O)c1ccccc1)OCc1ccccc1 ZINC000769363063 874001090 /nfs/dbraw/zinc/00/10/90/874001090.db2.gz MVRHTLLCLLHOLJ-OAQYLSRUSA-N 0 0 390.439 3.676 20 10 GHCDRN C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)c1ccc(N2CCOCC2)cc1 ZINC000804378313 882783160 /nfs/dbraw/zinc/78/31/60/882783160.db2.gz LAOZCVBFVLZJEJ-GFCCVEGCSA-N 0 0 385.449 3.609 20 10 GHCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)c1ccc(OC(F)F)cn1 ZINC001197931784 874118645 /nfs/dbraw/zinc/11/86/45/874118645.db2.gz IZQCMVROTGZCRN-UHFFFAOYSA-N 0 0 379.750 3.520 20 10 GHCDRN COc1ncc(/C=C/C(=O)N(C)c2ccc(Br)cc2Cl)cn1 ZINC000775819183 874212928 /nfs/dbraw/zinc/21/29/28/874212928.db2.gz MIQDWYNVMIFPPX-ZZXKWVIFSA-N 0 0 382.645 3.577 20 10 GHCDRN Cc1ccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)c(O)c1O ZINC000804412707 882807373 /nfs/dbraw/zinc/80/73/73/882807373.db2.gz YXXBUODMGJRUSE-HXUWFJFHSA-N 0 0 377.440 3.782 20 10 GHCDRN CC(C)(C)OC(=O)C1CCC([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000769712792 874246818 /nfs/dbraw/zinc/24/68/18/874246818.db2.gz XSHIXTUOJLGRTC-UHFFFAOYSA-N 0 0 384.860 3.944 20 10 GHCDRN CCN(CC)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000775830775 874273078 /nfs/dbraw/zinc/27/30/78/874273078.db2.gz CAURVSFZLGAJDX-GOSISDBHSA-N 0 0 378.875 3.754 20 10 GHCDRN 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Cc1ccccc1C[C@H](CO)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000786117883 876457658 /nfs/dbraw/zinc/45/76/58/876457658.db2.gz PDUGBRLLBNZAQN-JOCHJYFZSA-N 0 0 395.547 3.634 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1F ZINC000108996589 876549348 /nfs/dbraw/zinc/54/93/48/876549348.db2.gz IGJLPKJEVCYZDA-INIZCTEOSA-N 0 0 387.430 3.553 20 10 GHCDRN CC[C@H](C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1)C1CCC(C)CC1 ZINC000786260061 876559298 /nfs/dbraw/zinc/55/92/98/876559298.db2.gz VVMLMEJQLFVVMR-HCPAQRILSA-N 0 0 399.579 3.824 20 10 GHCDRN OC1CCN(c2ccc(CNc3nc4ccccc4n4cncc34)cc2F)CC1 ZINC000858355053 883044011 /nfs/dbraw/zinc/04/40/11/883044011.db2.gz MSAUDEFCNAYIDW-UHFFFAOYSA-N 0 0 391.450 3.595 20 10 GHCDRN C[C@H](NC(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000804566757 883053790 /nfs/dbraw/zinc/05/37/90/883053790.db2.gz CTMPCBAPWHOQTM-QWQRMKEZSA-N 0 0 383.467 3.977 20 10 GHCDRN CNS(=O)(=O)c1cc(NCc2cc(OC)cc(C(C)(C)C)c2O)ccc1C ZINC000850293128 876788008 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378.307 3.634 20 10 GHCDRN CO[C@@H](CCNC(=O)N(Cc1ccco1)Cc1ccccc1O)C(F)(F)F ZINC000786848983 876982877 /nfs/dbraw/zinc/98/28/77/876982877.db2.gz DPVZLSALIVPIFS-INIZCTEOSA-N 0 0 386.370 3.664 20 10 GHCDRN C[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1cc(Br)cc(F)c1[O-] ZINC000850562708 877028549 /nfs/dbraw/zinc/02/85/49/877028549.db2.gz PENMRTYZQAXYMK-APPDUMDISA-N 0 0 390.293 3.512 20 10 GHCDRN C[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1cc(Br)cc(F)c1[O-] ZINC000858449709 883104669 /nfs/dbraw/zinc/10/46/69/883104669.db2.gz RPXMLDNVPJODLQ-UFBFGSQYSA-N 0 0 396.182 3.945 20 10 GHCDRN CN1CCCc2cc(CNC(=O)c3cnn(-c4ccccc4Cl)c3)ccc21 ZINC000109559107 877184840 /nfs/dbraw/zinc/18/48/40/877184840.db2.gz KGCJBQDWFMNJPQ-UHFFFAOYSA-N 0 0 380.879 3.838 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cc(Br)cnc1F ZINC000858453363 883108832 /nfs/dbraw/zinc/10/88/32/883108832.db2.gz VTYXQJQOKOPLML-UHFFFAOYSA-N 0 0 378.245 3.513 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NC(C)(C)c3ncc(C)s3)CC2)cc1 ZINC000175487715 877230487 /nfs/dbraw/zinc/23/04/87/877230487.db2.gz DFVOZABTCPOFNS-UHFFFAOYSA-N 0 0 388.537 3.663 20 10 GHCDRN CO[C@@H](C)c1nc(-c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cs1 ZINC000175507519 877232561 /nfs/dbraw/zinc/23/25/61/877232561.db2.gz PIHJQSRGTQKAOT-ZDUSSCGKSA-N 0 0 391.518 3.572 20 10 GHCDRN CC(C)(NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000175571367 877320885 /nfs/dbraw/zinc/32/08/85/877320885.db2.gz FCSMMEIWSAIWSB-UHFFFAOYSA-N 0 0 380.448 3.706 20 10 GHCDRN COc1c([O-])c(C[NH2+]Cc2ccnc(Oc3ccccc3F)c2)ccc1[N+](=O)[O-] ZINC000787313381 877340601 /nfs/dbraw/zinc/34/06/01/877340601.db2.gz BFPTWGIIDWLLAX-UHFFFAOYSA-N 0 0 399.378 3.925 20 10 GHCDRN Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1OC(C)C ZINC000787452316 877413832 /nfs/dbraw/zinc/41/38/32/877413832.db2.gz GUEAAHMJIAGFOR-UHFFFAOYSA-N 0 0 395.503 3.637 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)c1 ZINC000175668950 877440837 /nfs/dbraw/zinc/44/08/37/877440837.db2.gz HDWXZUDOYINXQF-ZFWWWQNUSA-N 0 0 389.883 3.693 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(-c3ccco3)cc2F)c1 ZINC000787484924 877446365 /nfs/dbraw/zinc/44/63/65/877446365.db2.gz IOWXKFATGQZDRO-LBPRGKRZSA-N 0 0 398.390 3.616 20 10 GHCDRN CCS[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000176444968 877522785 /nfs/dbraw/zinc/52/27/85/877522785.db2.gz OQPRKGIYWYPEBD-PKOBYXMFSA-N 0 0 395.544 3.526 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)OCc3nc(-c4ccoc4)no3)ccc21 ZINC000729869185 877547759 /nfs/dbraw/zinc/54/77/59/877547759.db2.gz ZEIJKKFSOLSCCO-UHFFFAOYSA-N 0 0 395.415 3.905 20 10 GHCDRN O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000787721480 877547597 /nfs/dbraw/zinc/54/75/97/877547597.db2.gz WVTYLPVVPMTAMZ-BUNVSOEOSA-N 0 0 392.571 3.644 20 10 GHCDRN COc1ccc(NC(=O)c2sccc2-n2c(C)ccc2C)cc1NC(N)=O ZINC000787701231 877565286 /nfs/dbraw/zinc/56/52/86/877565286.db2.gz UOAKVKBGCMLJFU-UHFFFAOYSA-N 0 0 384.461 3.907 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc2c(c1)N(C(N)=O)CC2 ZINC000787712251 877572056 /nfs/dbraw/zinc/57/20/56/877572056.db2.gz XELKMLXOKWXOGT-UHFFFAOYSA-N 0 0 380.473 3.849 20 10 GHCDRN COCCN(C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C)[C@@H]1CCOC1 ZINC000787850200 877669695 /nfs/dbraw/zinc/66/96/95/877669695.db2.gz VRWONMRGGRNBCT-GOSISDBHSA-N 0 0 376.884 3.625 20 10 GHCDRN C[C@H](NC(=O)C(=O)NCc1c(Cl)cccc1Cl)c1ccc(N(C)C)cc1 ZINC000787880218 877684064 /nfs/dbraw/zinc/68/40/64/877684064.db2.gz WCBJLTSOZPJJBV-LBPRGKRZSA-N 0 0 394.302 3.553 20 10 GHCDRN CCOC(=O)c1sc2ncnc(NCc3ccc(N(C)C)c(F)c3)c2c1C ZINC000746721105 877734532 /nfs/dbraw/zinc/73/45/32/877734532.db2.gz IYWBMKCLUZZUCH-UHFFFAOYSA-N 0 0 388.468 3.994 20 10 GHCDRN Cn1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)c(-c2ccccc2)n1 ZINC000179705136 877886478 /nfs/dbraw/zinc/88/64/78/877886478.db2.gz XNWNYSQBZCREJS-UHFFFAOYSA-N 0 0 392.528 3.570 20 10 GHCDRN CO[C@H](CN(Cc1ccc(C)s1)c1ccc2c(c1)OCCO2)[C@H]1CCOC1 ZINC000851836248 877933159 /nfs/dbraw/zinc/93/31/59/877933159.db2.gz PGCCAPIKDIRQSB-HRAATJIYSA-N 0 0 389.517 3.886 20 10 GHCDRN COc1ccc([C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C2CC2)cc1 ZINC000851928951 877982013 /nfs/dbraw/zinc/98/20/13/877982013.db2.gz DIRZCOVFWRDXTB-XMSQKQJNSA-N 0 0 395.503 3.733 20 10 GHCDRN COc1cc(N2CCN(Cc3nsc4ccccc43)CC2)cc(OC)c1OC ZINC000851936294 877988166 /nfs/dbraw/zinc/98/81/66/877988166.db2.gz KSCVUOBZPIFBFO-UHFFFAOYSA-N 0 0 399.516 3.644 20 10 GHCDRN CCC[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000851939868 877991383 /nfs/dbraw/zinc/99/13/83/877991383.db2.gz RQUHAHVLRSBMSJ-JOCHJYFZSA-N 0 0 381.520 3.988 20 10 GHCDRN COc1cccc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)c1C ZINC000851991645 878020417 /nfs/dbraw/zinc/02/04/17/878020417.db2.gz SYMKZDIDHRWAET-UHFFFAOYSA-N 0 0 385.533 3.556 20 10 GHCDRN COC(=O)[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccsc1 ZINC000788401793 878063797 /nfs/dbraw/zinc/06/37/97/878063797.db2.gz SXZSEVNCFJRBJU-WMLDXEAASA-N 0 0 396.459 3.822 20 10 GHCDRN COc1ccc(O)c(CNC(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)c1 ZINC000746747314 878075911 /nfs/dbraw/zinc/07/59/11/878075911.db2.gz UMGOLIORZPOULE-UHFFFAOYSA-N 0 0 398.394 3.789 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H](OC1CCCC1)C(F)(F)F ZINC000852138969 878097180 /nfs/dbraw/zinc/09/71/80/878097180.db2.gz XQMDKSANXPXDPR-SFHVURJKSA-N 0 0 397.441 3.752 20 10 GHCDRN COc1cccc([C@@]2(C)CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)C2)c1 ZINC000852138649 878097547 /nfs/dbraw/zinc/09/75/47/878097547.db2.gz QNAPNFQIAJDSFD-DEOSSOPVSA-N 0 0 391.515 3.945 20 10 GHCDRN C[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@@H](C)c1ccccc1 ZINC000852167728 878114838 /nfs/dbraw/zinc/11/48/38/878114838.db2.gz ZLWBYXFBHMIIPC-QZTJIDSGSA-N 0 0 381.520 3.639 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3ccc(F)cc3F)C2)cc1 ZINC000852177680 878123499 /nfs/dbraw/zinc/12/34/99/878123499.db2.gz RHYMNNSSHIDHBT-ZFWWWQNUSA-N 0 0 375.419 3.613 20 10 GHCDRN C[C@@H](Nc1ccc2c(c1)CN(CC(N)=O)CC2)c1cc(Cl)c(Cl)cc1O ZINC000788610190 878166707 /nfs/dbraw/zinc/16/67/07/878166707.db2.gz RZODRZFLAQOKLD-LLVKDONJSA-N 0 0 394.302 3.716 20 10 GHCDRN CC[C@@H](CO)C(=O)Nc1cc(N)ccc1/N=N/c1ccc(Br)cn1 ZINC001183171767 912328777 /nfs/dbraw/zinc/32/87/77/912328777.db2.gz XYSQFIIPABJSKT-UKLXAMLDSA-N 0 0 392.257 3.799 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](COC)c1ccc(F)c(F)c1 ZINC000179953175 878272773 /nfs/dbraw/zinc/27/27/73/878272773.db2.gz CJUKPINYVIULRF-SFHVURJKSA-N 0 0 378.419 3.980 20 10 GHCDRN Cn1nc([C@H]2CCCO2)cc1NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000788727255 878279324 /nfs/dbraw/zinc/27/93/24/878279324.db2.gz XXIDCAPVZUHLSG-LJQANCHMSA-N 0 0 396.447 3.805 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CCCN(C)c4ccccc43)C2)cc1 ZINC000852373974 878284600 /nfs/dbraw/zinc/28/46/00/878284600.db2.gz QBLWGDXROYZJPA-DYESRHJHSA-N 0 0 394.519 3.544 20 10 GHCDRN CCOc1cc2c(cc1NC(=O)NCc1ccc(N(C)C)c(F)c1)O[C@@H](C)C2 ZINC000746759899 878289618 /nfs/dbraw/zinc/28/96/18/878289618.db2.gz PCVRUYBBPBXVOM-ZDUSSCGKSA-N 0 0 387.455 3.936 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N3CCOc4ccccc4[C@@H]3C)C2)cc1 ZINC000852386919 878294930 /nfs/dbraw/zinc/29/49/30/878294930.db2.gz MQSPXDMCVLIYDP-ROUUACIJSA-N 0 0 395.503 3.687 20 10 GHCDRN CN(C)c1ccc(CNC(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)cc1 ZINC000852433145 878320557 /nfs/dbraw/zinc/32/05/57/878320557.db2.gz STWFECSWIFOPFN-KRWDZBQOSA-N 0 0 386.927 3.732 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCC[C@H](C(F)(F)F)C3)C2)cc1 ZINC000852455257 878334836 /nfs/dbraw/zinc/33/48/36/878334836.db2.gz TYQZCBFMVZIUNE-JYJNAYRXSA-N 0 0 399.457 3.942 20 10 GHCDRN CC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccc(OC)cc1 ZINC000852455721 878336401 /nfs/dbraw/zinc/33/64/01/878336401.db2.gz VAAZOAGKRRWKOC-LAUBAEHRSA-N 0 0 383.492 3.733 20 10 GHCDRN CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccc(OC)cc1 ZINC000852455720 878337186 /nfs/dbraw/zinc/33/71/86/878337186.db2.gz VAAZOAGKRRWKOC-DYESRHJHSA-N 0 0 383.492 3.733 20 10 GHCDRN Cc1ccc(CCNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1C ZINC000852537631 878409046 /nfs/dbraw/zinc/40/90/46/878409046.db2.gz KJTVBHJSRQRFOJ-UHFFFAOYSA-N 0 0 395.547 3.554 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)c2cccc(C)c2C)cc1 ZINC000788966403 878473479 /nfs/dbraw/zinc/47/34/79/878473479.db2.gz KZFRTCHZFLDTNW-GOSISDBHSA-N 0 0 381.520 3.643 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CCC(F)CC1 ZINC000852633173 878487174 /nfs/dbraw/zinc/48/71/74/878487174.db2.gz OOZUJAWEPDXHBR-OOHWJJMZSA-N 0 0 395.494 3.503 20 10 GHCDRN COC[C@H](Cc1ccccc1)NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000746779064 878511705 /nfs/dbraw/zinc/51/17/05/878511705.db2.gz GEFMUQPXOKEVQU-FQEVSTJZSA-N 0 0 394.471 3.955 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCCCC[C@H]1c1ccco1 ZINC000152455032 878546837 /nfs/dbraw/zinc/54/68/37/878546837.db2.gz HNXVIWCNHAVFHH-FQEVSTJZSA-N 0 0 383.492 3.943 20 10 GHCDRN Cc1cc(C(=O)Cn2cnc3cc(F)ccc3c2=O)c(C)n1-c1cccc(F)c1 ZINC000008485770 878610744 /nfs/dbraw/zinc/61/07/44/878610744.db2.gz LOLMCOPYWPWLHC-UHFFFAOYSA-N 0 0 393.393 3.965 20 10 GHCDRN C[C@H](NC(=O)NCc1cc2ccccc2o1)c1ccc(N2CCOCC2)cc1 ZINC000068480189 878612050 /nfs/dbraw/zinc/61/20/50/878612050.db2.gz USIIUGMNNQUNCS-INIZCTEOSA-N 0 0 379.460 3.830 20 10 GHCDRN COc1ccc(C)cc1[C@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068480758 878612395 /nfs/dbraw/zinc/61/23/95/878612395.db2.gz UPHKLQQGSAZFFE-ROUUACIJSA-N 0 0 397.519 3.962 20 10 GHCDRN CCOC(=O)CN1C(=O)/C(=C/c2cnc(-c3ccco3)s2)c2ccccc21 ZINC000789141398 878667835 /nfs/dbraw/zinc/66/78/35/878667835.db2.gz DTKGXDFIWOUCJM-XNTDXEJSSA-N 0 0 380.425 3.853 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@@H]1OC(=O)c2ccccc21 ZINC000068535394 878679903 /nfs/dbraw/zinc/67/99/03/878679903.db2.gz LKYFKNNPLCKFDQ-NRFANRHFSA-N 0 0 378.472 3.937 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CSc1ccc(Cl)cc1 ZINC000068536149 878687573 /nfs/dbraw/zinc/68/75/73/878687573.db2.gz ILXBNXAKGWVKLM-UHFFFAOYSA-N 0 0 390.936 3.927 20 10 GHCDRN C[C@@H](NC(=O)N1CCC[C@H]1c1ccccn1)c1ccc(N2CCOCC2)cc1 ZINC000068549111 878727896 /nfs/dbraw/zinc/72/78/96/878727896.db2.gz XTDDCNULEGAGDY-UTKZUKDTSA-N 0 0 380.492 3.526 20 10 GHCDRN Cc1cc(Cc2nc([C@@H]3CC(=O)N(C4CC4)C3)no2)c(C)n1-c1ccccc1 ZINC000853080979 878801581 /nfs/dbraw/zinc/80/15/81/878801581.db2.gz FWMSAPTZHZZJBU-QGZVFWFLSA-N 0 0 376.460 3.546 20 10 GHCDRN Cc1cc(CC(=O)O[C@@H]2CCO[C@@H]([C@H]3CCOC3)C2)c(C)n1-c1ccccc1 ZINC000853116850 878823400 /nfs/dbraw/zinc/82/34/00/878823400.db2.gz NJBADIDAZZHFHE-VLCRHTCISA-N 0 0 383.488 3.764 20 10 GHCDRN CCc1cc(=O)[nH]c(-c2ccc(N3CC=C(c4c[nH]c5ncccc45)CC3)nc2)n1 ZINC000068661994 878845670 /nfs/dbraw/zinc/84/56/70/878845670.db2.gz KIHRPPZPVJGUGK-UHFFFAOYSA-N 0 0 398.470 3.564 20 10 GHCDRN Cc1cc(C(=O)Cn2cnc(C#N)c2C#N)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000180414068 878882646 /nfs/dbraw/zinc/88/26/46/878882646.db2.gz GDFLUTYCAHWWQH-UHFFFAOYSA-N 0 0 397.360 3.936 20 10 GHCDRN CC(=O)Nc1ccc(S[C@H](C)C(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000746813638 878934674 /nfs/dbraw/zinc/93/46/74/878934674.db2.gz WGULMVVBGHYPNC-OAHLLOKOSA-N 0 0 397.544 3.824 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCC1(c2ccccc2)CCC1 ZINC000853267500 878942782 /nfs/dbraw/zinc/94/27/82/878942782.db2.gz RSAAOHBQWVDEBM-UHFFFAOYSA-N 0 0 393.531 3.569 20 10 GHCDRN CN(Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)Cc1ccccc1O ZINC000111236342 878961751 /nfs/dbraw/zinc/96/17/51/878961751.db2.gz PPGVRFGFIJQKDC-UHFFFAOYSA-N 0 0 388.514 3.551 20 10 GHCDRN C[C@@H]1C[N@H+](Cc2cc(Br)cc(Br)c2[O-])CCC[C@H]1O ZINC001203563862 912404057 /nfs/dbraw/zinc/40/40/57/912404057.db2.gz AHRANBYZCWPQOR-NOZJJQNGSA-N 0 0 393.119 3.510 20 10 GHCDRN CC(C)Oc1cccc(CC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000068812377 879044170 /nfs/dbraw/zinc/04/41/70/879044170.db2.gz HJRLYEYWBYEDJR-GOSISDBHSA-N 0 0 382.504 3.730 20 10 GHCDRN COc1cc(O)c(CN[C@@H](Cc2ccccc2)C(=O)OC2CCCC2)cc1OC ZINC000789579352 879078718 /nfs/dbraw/zinc/07/87/18/879078718.db2.gz XUBGDEKTKZQDBR-IBGZPJMESA-N 0 0 399.487 3.596 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](c1cccs1)C(C)(C)CO ZINC000853749521 879260925 /nfs/dbraw/zinc/26/09/25/879260925.db2.gz UTKWTBTXMSYKFZ-GOSISDBHSA-N 0 0 375.538 3.682 20 10 GHCDRN Cc1cc(C(=O)Cn2ncc(C(F)(F)F)cc2=O)c(C)n1-c1cccc(C)c1 ZINC000853748480 879261036 /nfs/dbraw/zinc/26/10/36/879261036.db2.gz NRBNVKWDGRTNPN-UHFFFAOYSA-N 0 0 389.377 3.861 20 10 GHCDRN C[C@H](NC(=O)[C@H]1CCCc2c(O)cccc21)c1ccc(N2CCOCC2)cc1 ZINC000789749429 879261737 /nfs/dbraw/zinc/26/17/37/879261737.db2.gz ITQATBHTLXWVKL-KKSFZXQISA-N 0 0 380.488 3.526 20 10 GHCDRN Cc1ccc2c(C)cc(NCc3ccc(N4CCS(=O)(=O)CC4)cc3)nc2c1 ZINC000853791456 879287906 /nfs/dbraw/zinc/28/79/06/879287906.db2.gz NJVSTLOTFCJLFI-UHFFFAOYSA-N 0 0 395.528 3.699 20 10 GHCDRN CN(CC1=CCSC1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000853799656 879290604 /nfs/dbraw/zinc/29/06/04/879290604.db2.gz RAKIAYPSSIJTQX-HNNXBMFYSA-N 0 0 397.491 3.571 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000789856847 879321154 /nfs/dbraw/zinc/32/11/54/879321154.db2.gz JNYDBYJJGSKNCD-UHFFFAOYSA-N 0 0 399.535 3.934 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2COc3ccccc3O2)cc1 ZINC000789867336 879326194 /nfs/dbraw/zinc/32/61/94/879326194.db2.gz XBHXPGIGGKNQJQ-IBGZPJMESA-N 0 0 383.492 3.514 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000152515089 879345325 /nfs/dbraw/zinc/34/53/25/879345325.db2.gz WLOKKOPOWLOXRJ-UHFFFAOYSA-N 0 0 382.464 3.843 20 10 GHCDRN C[C@@H](NC(=O)NC(C)(C)c1cccc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000152533031 879356932 /nfs/dbraw/zinc/35/69/32/879356932.db2.gz QLAAJVFYCMGIHJ-MRXNPFEDSA-N 0 0 385.483 3.958 20 10 GHCDRN CC(C)C[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000152544422 879368014 /nfs/dbraw/zinc/36/80/14/879368014.db2.gz WLXXFFPHSSRMRL-SFHVURJKSA-N 0 0 391.531 3.755 20 10 GHCDRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)NCCc1ccc(N)cc1 ZINC000152559297 879398717 /nfs/dbraw/zinc/39/87/17/879398717.db2.gz GLDSDQNPDCHJEG-UHFFFAOYSA-N 0 0 390.531 3.730 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)/C=C\c2ccccc2Cl)cc1 ZINC000212211613 879405713 /nfs/dbraw/zinc/40/57/13/879405713.db2.gz VTZARLKOACPCSL-RAXLEYEMSA-N 0 0 386.879 3.621 20 10 GHCDRN 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Cc1cc(C(=O)NC[C@H]2CCCS2(=O)=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000153611790 886678906 /nfs/dbraw/zinc/67/89/06/886678906.db2.gz WBHHDBPYRITWNJ-LJQANCHMSA-N 0 0 388.533 3.525 20 10 GHCDRN Cc1cc(C(=O)N(C)Cc2nnc3n2CCC3)c(C)n1-c1ccc(Cl)cc1 ZINC000919881354 886718345 /nfs/dbraw/zinc/71/83/45/886718345.db2.gz GWKKDTBLRAUGMC-UHFFFAOYSA-N 0 0 383.883 3.557 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2ccc(CO)c(CO)c2)c1 ZINC001168330260 886810260 /nfs/dbraw/zinc/81/02/60/886810260.db2.gz QNFNRYJHKPFMOD-UHFFFAOYSA-N 0 0 384.863 3.984 20 10 GHCDRN Cc1cccn(Cc2c(F)cccc2NC(=O)N(C)Cc2ccccc2O)c1=O ZINC000808868870 886853356 /nfs/dbraw/zinc/85/33/56/886853356.db2.gz DGNQYDPMSJNSLH-UHFFFAOYSA-N 0 0 395.434 3.714 20 10 GHCDRN C[C@H](Oc1ccccc1NC(=O)NCCc1ccc(O)c(O)c1)C(F)(F)F ZINC000808869393 886853372 /nfs/dbraw/zinc/85/33/72/886853372.db2.gz YSMVNWZCGSCOPP-NSHDSACASA-N 0 0 384.354 3.792 20 10 GHCDRN Cc1cc(CNC(=O)C2CCN(CC(F)F)CC2)c(C)n1-c1ccccc1 ZINC000863164362 886899936 /nfs/dbraw/zinc/89/99/36/886899936.db2.gz HSYBSWOMAXMNGJ-UHFFFAOYSA-N 0 0 375.463 3.687 20 10 GHCDRN Cc1cc(CNC(=O)[C@@H]2CN(C)C(=O)c3ccccc32)c(C)n1-c1ccccc1 ZINC000863164355 886900216 /nfs/dbraw/zinc/90/02/16/886900216.db2.gz HPDKKCYDTXKVMS-JOCHJYFZSA-N 0 0 387.483 3.580 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(-c2ncc(C)o2)c1 ZINC000125879767 886908489 /nfs/dbraw/zinc/90/84/89/886908489.db2.gz JUAGBZYAUHTBGB-UHFFFAOYSA-N 0 0 393.443 3.733 20 10 GHCDRN COC(=O)[C@@H](NCc1cc(OC)cc(C(C)(C)C)c1O)c1ccccc1F ZINC000825563094 886970218 /nfs/dbraw/zinc/97/02/18/886970218.db2.gz SQIKMMSONLDXBL-SFHVURJKSA-N 0 0 375.440 3.841 20 10 GHCDRN CC(=O)N1CCc2c1cccc2NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000841694449 886995499 /nfs/dbraw/zinc/99/54/99/886995499.db2.gz XOFKZUGKMMQJGM-INIZCTEOSA-N 0 0 394.519 3.723 20 10 GHCDRN COc1ncc(C=CC(=O)N(C)c2ccc(NC(=O)OC(C)(C)C)cc2)cn1 ZINC000863471288 887137335 /nfs/dbraw/zinc/13/73/35/887137335.db2.gz YVDXRPCPFJBABR-WDZFZDKYSA-N 0 0 384.436 3.508 20 10 GHCDRN CCOCCN(C(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCc2ccccc21 ZINC000863505347 887157049 /nfs/dbraw/zinc/15/70/49/887157049.db2.gz KKWBVJHGPWJAFD-JOCHJYFZSA-N 0 0 381.520 3.988 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CC[C@@H](C)NC1)c1cc(Br)cc(Br)c1[O-] ZINC000863546701 887205227 /nfs/dbraw/zinc/20/52/27/887205227.db2.gz MYRFRTYDRKSGGT-WCABBAIRSA-N 0 0 392.135 3.708 20 10 GHCDRN CCc1ccccc1OCCC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000795990692 913138409 /nfs/dbraw/zinc/13/84/09/913138409.db2.gz AYIYDEUEHUDONB-UHFFFAOYSA-N 0 0 382.504 3.812 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)cc1F ZINC000174812301 887371793 /nfs/dbraw/zinc/37/17/93/887371793.db2.gz WQPIQTTYIJBESM-CYBMUJFWSA-N 0 0 391.491 3.913 20 10 GHCDRN Cc1cc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000153713050 887392895 /nfs/dbraw/zinc/39/28/95/887392895.db2.gz QXRQCJPXFZLSQX-OAHLLOKOSA-N 0 0 384.436 3.623 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1C[C@H]1c1ccco1 ZINC000863863876 887423635 /nfs/dbraw/zinc/42/36/35/887423635.db2.gz SMQAIKDLZGSLEH-IAGOWNOFSA-N 0 0 376.403 3.770 20 10 GHCDRN CCCCc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000915779110 887431884 /nfs/dbraw/zinc/43/18/84/887431884.db2.gz XCNQNBQDOWTRCN-UHFFFAOYSA-N 0 0 379.504 3.884 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NCc1ccc2c(c1)CCCN2 ZINC000841706779 887507095 /nfs/dbraw/zinc/50/70/95/887507095.db2.gz JWXLWHGZDMRPFY-UHFFFAOYSA-N 0 0 396.560 3.597 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1occ2c1CCC2 ZINC000795998531 913152953 /nfs/dbraw/zinc/15/29/53/913152953.db2.gz PFLJRNIFXREVIL-UHFFFAOYSA-N 0 0 376.403 3.769 20 10 GHCDRN CCN(CC)c1ccc(CNc2ccc(S(=O)(=O)NCC3CC3)cc2)cc1 ZINC000864043437 887529693 /nfs/dbraw/zinc/52/96/93/887529693.db2.gz KYWMDFJJZQAESW-UHFFFAOYSA-N 0 0 387.549 3.833 20 10 GHCDRN Cc1cc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccn1 ZINC000119822392 887535128 /nfs/dbraw/zinc/53/51/28/887535128.db2.gz YXNGRCYVBGMVDZ-HNNXBMFYSA-N 0 0 376.407 3.782 20 10 GHCDRN Cc1cc(C(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)c(C)n1-c1ccccc1C ZINC000131590251 887555770 /nfs/dbraw/zinc/55/57/70/887555770.db2.gz DOSCAWCBFWURBN-RXVVDRJESA-N 0 0 379.504 3.533 20 10 GHCDRN CCOC(=O)c1cc2cc(S(=O)(=O)Nc3ccc(O)c(C)c3)ccc2s1 ZINC000794591882 887573454 /nfs/dbraw/zinc/57/34/54/887573454.db2.gz FZOIIWXFHXCAJT-UHFFFAOYSA-N 0 0 391.470 3.893 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)O[C@@H]1CCO[C@H]([C@H]2CCOC2)C1 ZINC000763093894 887651452 /nfs/dbraw/zinc/65/14/52/887651452.db2.gz FZJSXTICQHSAPG-JZXOWHBKSA-N 0 0 375.490 3.897 20 10 GHCDRN O=S(=O)(NCc1ccco1)c1cccc(NCc2cccc(Cl)c2O)c1 ZINC000809651254 887656430 /nfs/dbraw/zinc/65/64/30/887656430.db2.gz HKHQNROFTADSCS-UHFFFAOYSA-N 0 0 392.864 3.729 20 10 GHCDRN COC(=O)[C@H](CC(F)(F)F)NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809653005 887659737 /nfs/dbraw/zinc/65/97/37/887659737.db2.gz OZSDHRUCLWMYKB-SFHVURJKSA-N 0 0 392.421 3.833 20 10 GHCDRN CCOc1cccc(/C=C2/SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)n1 ZINC000763110232 887672111 /nfs/dbraw/zinc/67/21/11/887672111.db2.gz XKAJNLQHMQPQSO-LFIBNONCSA-N 0 0 399.497 3.845 20 10 GHCDRN COc1cc(O)c(CNc2ccc(F)cc2OC2CCOCC2)cc1OC ZINC000809695964 887674025 /nfs/dbraw/zinc/67/40/25/887674025.db2.gz WDTUKWMHDOVESH-UHFFFAOYSA-N 0 0 377.412 3.718 20 10 GHCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1[O-] ZINC000809700163 887682239 /nfs/dbraw/zinc/68/22/39/887682239.db2.gz ZBPTULJXPMVVRQ-FGTMMUONSA-N 0 0 388.851 3.958 20 10 GHCDRN C[NH+](C)CCN(Cc1ccc(F)cc1)Cc1cccc(Br)c1[O-] ZINC000809736176 887712254 /nfs/dbraw/zinc/71/22/54/887712254.db2.gz ITAJNPBCKFGTOB-UHFFFAOYSA-N 0 0 381.289 3.858 20 10 GHCDRN Cn1cc(/C=C2/SC(=S)N(C(C3CC3)C3CC3)C2=O)c(Br)n1 ZINC000864355280 887721981 /nfs/dbraw/zinc/72/19/81/887721981.db2.gz HDRZKAFTVXOEHM-IZZDOVSWSA-N 0 0 398.351 3.572 20 10 GHCDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000120065602 887776590 /nfs/dbraw/zinc/77/65/90/887776590.db2.gz JWZYPCAXAQWWLF-MRXNPFEDSA-N 0 0 398.463 3.931 20 10 GHCDRN COC(=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])c(Br)c1 ZINC000809753118 887793846 /nfs/dbraw/zinc/79/38/46/887793846.db2.gz ASDCWEOAUIQTMN-UHFFFAOYSA-N 0 0 384.657 3.885 20 10 GHCDRN C[N@H+](CCn1cc(Br)cn1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809792653 887846236 /nfs/dbraw/zinc/84/62/36/887846236.db2.gz CRCVRBNDIKUEGI-UHFFFAOYSA-N 0 0 379.085 3.790 20 10 GHCDRN CN(C(=O)c1cn(C)nc1-c1cccnc1)c1ccc(-c2nccs2)cc1 ZINC001275305186 913188859 /nfs/dbraw/zinc/18/88/59/913188859.db2.gz CSGJSJQALZDQQS-UHFFFAOYSA-N 0 0 375.457 3.882 20 10 GHCDRN CCOCn1nc(C)c(CC(=O)N(C)Cc2ccc(N(CC)CC)cc2)c1C ZINC000864636702 887899636 /nfs/dbraw/zinc/89/96/36/887899636.db2.gz SSYVLNZORBNUDT-UHFFFAOYSA-N 0 0 386.540 3.541 20 10 GHCDRN Cc1cc(CC(=O)N[C@@H]2CC[C@H]([S@@](C)=O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC001184405118 913191775 /nfs/dbraw/zinc/19/17/75/913191775.db2.gz NWTLETRGDIVDHA-QKSGUBBWSA-N 0 0 392.952 3.706 20 10 GHCDRN O=[N+]([O-])c1cc(I)cc(CSc2nccs2)c1 ZINC000809957169 888025577 /nfs/dbraw/zinc/02/55/77/888025577.db2.gz VUKZZHIDMQNKFX-UHFFFAOYSA-N 0 0 378.216 3.948 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc2c(c1)SCC(=O)N2 ZINC000809974829 888031790 /nfs/dbraw/zinc/03/17/90/888031790.db2.gz MNAXIIZXRKATBA-UHFFFAOYSA-N 0 0 395.528 3.993 20 10 GHCDRN COC(=O)c1cc(C)c(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)o1 ZINC001132011977 888073849 /nfs/dbraw/zinc/07/38/49/888073849.db2.gz ZVIGUHIMCDBKTF-UHFFFAOYSA-N 0 0 380.444 3.755 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccc4nccc(C)c4c3)CC2)c(OC)c1 ZINC001132032177 888124216 /nfs/dbraw/zinc/12/42/16/888124216.db2.gz NCPQCMOPQNJWEP-UHFFFAOYSA-N 0 0 391.471 3.523 20 10 GHCDRN Cc1cc(CNC(=O)c2ccccc2N2CCOCC2)c(C)n1-c1ccccc1 ZINC001132048578 888153167 /nfs/dbraw/zinc/15/31/67/888153167.db2.gz ZIQGCHUMWCZOKR-UHFFFAOYSA-N 0 0 389.499 3.861 20 10 GHCDRN C[C@@H]1CC2(CCC2)CN1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000763190577 888168386 /nfs/dbraw/zinc/16/83/86/888168386.db2.gz BUMWUBDZRKNOJX-BRWVUGGUSA-N 0 0 389.515 3.913 20 10 GHCDRN CCOCc1nc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)no1 ZINC000810255674 888358097 /nfs/dbraw/zinc/35/80/97/888358097.db2.gz RGGHUGUGQHESRZ-KGLIPLIRSA-N 0 0 394.903 3.508 20 10 GHCDRN O=C(NCCCSc1nccs1)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000810398811 888464634 /nfs/dbraw/zinc/46/46/34/888464634.db2.gz PNHXPNKGLPWZEK-CYBMUJFWSA-N 0 0 381.954 3.921 20 10 GHCDRN Cc1cc(C(F)(F)F)nn1CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000810417255 888481867 /nfs/dbraw/zinc/48/18/67/888481867.db2.gz GBQDJFMALKVXNS-UHFFFAOYSA-N 0 0 393.365 3.738 20 10 GHCDRN CC1(c2ccc(C[NH2+]Cc3cccc(Br)c3[O-])cc2)OCCO1 ZINC000865669308 888509312 /nfs/dbraw/zinc/50/93/12/888509312.db2.gz AONVFSCUVIZESP-UHFFFAOYSA-N 0 0 378.266 3.664 20 10 GHCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@@H](CO)C1CCCC1 ZINC000810492219 888536549 /nfs/dbraw/zinc/53/65/49/888536549.db2.gz XYIHUNIAFOISFW-IBGZPJMESA-N 0 0 380.448 3.708 20 10 GHCDRN Cc1cc(C(=O)Nc2nn3cnnc3s2)c(C)n1-c1cccc(C(C)C)c1 ZINC000916163837 888781185 /nfs/dbraw/zinc/78/11/85/888781185.db2.gz RFWKJJUBKPSYPF-UHFFFAOYSA-N 0 0 380.477 3.969 20 10 GHCDRN Cc1cc(CCNC(=O)NCc2cn3ccsc3n2)c(C)n1-c1ccccc1 ZINC000916218897 888835929 /nfs/dbraw/zinc/83/59/29/888835929.db2.gz WULIDVJMCKNNRR-UHFFFAOYSA-N 0 0 393.516 3.845 20 10 GHCDRN COc1cccc2c1OCCC[C@@H]2[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000866391920 888855231 /nfs/dbraw/zinc/85/52/31/888855231.db2.gz SUVDOGSXMMUDGZ-NRFANRHFSA-N 0 0 382.504 3.660 20 10 GHCDRN CC(=O)N1CCN(c2ccc(N[C@H]3C[C@H](C)c4c3c(O)ccc4F)cc2)CC1 ZINC000866625905 888975577 /nfs/dbraw/zinc/97/55/77/888975577.db2.gz IMGAGJAGPUOZRS-LIRRHRJNSA-N 0 0 383.467 3.860 20 10 GHCDRN CN1C(=O)/C(=C/c2cnc(-c3ccncc3)s2)c2cc(Br)cnc21 ZINC000794957211 889058922 /nfs/dbraw/zinc/05/89/22/889058922.db2.gz MQQSERJVUCUOHI-VGOFMYFVSA-N 0 0 399.273 3.880 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000916503140 889076468 /nfs/dbraw/zinc/07/64/68/889076468.db2.gz ULUXKHGEKYVHNZ-SFHVURJKSA-N 0 0 389.540 3.796 20 10 GHCDRN CC(C)N(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C1CCC1 ZINC000121684684 889090875 /nfs/dbraw/zinc/09/08/75/889090875.db2.gz QAHLUNXLFOGMKV-UHFFFAOYSA-N 0 0 392.411 3.773 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc(Cl)n1 ZINC000121791228 889141836 /nfs/dbraw/zinc/14/18/36/889141836.db2.gz USWLUOUZHSZOQH-UHFFFAOYSA-N 0 0 399.800 3.520 20 10 GHCDRN O=C(COC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(O)c(O)c1 ZINC000916590239 889150897 /nfs/dbraw/zinc/15/08/97/889150897.db2.gz POVQUSKZLHJIME-UHFFFAOYSA-N 0 0 376.364 3.762 20 10 GHCDRN COc1ccc(N(C)CC(=O)N[C@H](c2nccs2)c2ccccc2)cc1F ZINC000121811410 889159601 /nfs/dbraw/zinc/15/96/01/889159601.db2.gz ROMQGBYOWWWDFN-IBGZPJMESA-N 0 0 385.464 3.633 20 10 GHCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H](c2ccsc2)O1 ZINC000121819824 889161110 /nfs/dbraw/zinc/16/11/10/889161110.db2.gz FOUPLXLFJNRTLN-UZLBHIALSA-N 0 0 383.517 3.796 20 10 GHCDRN COc1ccc(N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Cl ZINC000121881030 889204194 /nfs/dbraw/zinc/20/41/94/889204194.db2.gz LGXJYHYOVQYSLG-UHFFFAOYSA-N 0 0 384.219 3.985 20 10 GHCDRN COc1ccc(N(C)Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)cc1Cl ZINC000121881196 889204209 /nfs/dbraw/zinc/20/42/09/889204209.db2.gz YWZMXRMFJNDXGI-UHFFFAOYSA-N 0 0 375.881 3.772 20 10 GHCDRN C[C@@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1c(F)cccc1F ZINC000154128190 889298751 /nfs/dbraw/zinc/29/87/51/889298751.db2.gz RBOIHJLNAHRMGT-GDBMZVCRSA-N 0 0 375.415 3.982 20 10 GHCDRN COc1ccc(N2CCN(Cc3ncc(-c4cccc(F)c4)o3)CC2)cc1F ZINC000122051596 889351615 /nfs/dbraw/zinc/35/16/15/889351615.db2.gz DPFBDIQOHSCRNE-UHFFFAOYSA-N 0 0 385.414 3.951 20 10 GHCDRN C[C@@H](NC(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1O ZINC000868295938 889387684 /nfs/dbraw/zinc/38/76/84/889387684.db2.gz HQVDPUONZCTYRI-WLYUNCDWSA-N 0 0 377.485 3.588 20 10 GHCDRN CSCCCN1C(=O)/C(=C\c2cnn(Cc3ccccc3)c2)SC1=S ZINC000054486299 889492606 /nfs/dbraw/zinc/49/26/06/889492606.db2.gz ZKBGHRLIYFVNGO-MHWRWJLKSA-N 0 0 389.571 3.886 20 10 GHCDRN COc1ccc(CNC(=S)NCCc2ccc(Cl)cc2Cl)c(O)c1 ZINC000795030669 889552643 /nfs/dbraw/zinc/55/26/43/889552643.db2.gz DLLAIIDXEDBPTH-UHFFFAOYSA-N 0 0 385.316 3.914 20 10 GHCDRN O=C1COc2c(NCc3ccc(OCc4ccccc4)cc3O)cccc2N1 ZINC000811511309 889702256 /nfs/dbraw/zinc/70/22/56/889702256.db2.gz XVMLAKLAVJOEFK-UHFFFAOYSA-N 0 0 376.412 3.914 20 10 GHCDRN CC(C)OC[C@H](O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000122426375 889763000 /nfs/dbraw/zinc/76/30/00/889763000.db2.gz MCISRSFFEJLGJN-ZWKOTPCHSA-N 0 0 376.522 3.607 20 10 GHCDRN O=C(Cc1csc(CCC(F)(F)F)n1)NCc1cc(Cl)ccc1O ZINC000869147279 889789419 /nfs/dbraw/zinc/78/94/19/889789419.db2.gz PFFUECCKLKVSKN-UHFFFAOYSA-N 0 0 378.803 3.856 20 10 GHCDRN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1cc2cnccc2o1 ZINC000869197707 889820845 /nfs/dbraw/zinc/82/08/45/889820845.db2.gz BILXASITQQELIW-MRXNPFEDSA-N 0 0 394.475 3.567 20 10 GHCDRN Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2nc(C3CC3)cs2)cc1 ZINC000287540254 913397068 /nfs/dbraw/zinc/39/70/68/913397068.db2.gz AIDJXAHAPLONHR-UHFFFAOYSA-N 0 0 384.505 3.765 20 10 GHCDRN C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccc(N2CCCCC2=O)cc1 ZINC000811811561 889995015 /nfs/dbraw/zinc/99/50/15/889995015.db2.gz HXQZRMYUCOJSLC-QGZVFWFLSA-N 0 0 394.519 3.830 20 10 GHCDRN O=C(CCSc1ccc(Br)cc1)NCCc1ccc(O)c(O)c1 ZINC000122670360 890000793 /nfs/dbraw/zinc/00/07/93/890000793.db2.gz SNVNDHQZIFULJN-UHFFFAOYSA-N 0 0 396.306 3.701 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)cc1F ZINC000811877946 890083122 /nfs/dbraw/zinc/08/31/22/890083122.db2.gz VPWIDXGLOKYBQG-MRXNPFEDSA-N 0 0 393.894 3.678 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2c3ccccc3CC23CCOCC3)c1 ZINC000811954986 890159050 /nfs/dbraw/zinc/15/90/50/890159050.db2.gz JBKKRPQKUMBWEY-BTYIYWSLSA-N 0 0 396.487 3.855 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3ccc(N(C)C)cc3C)CC2)cc1F ZINC000122881886 890182218 /nfs/dbraw/zinc/18/22/18/890182218.db2.gz PPBYDYYVERYWFU-UHFFFAOYSA-N 0 0 386.471 3.563 20 10 GHCDRN C[C@@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)[C@@H](O)c1ccccc1 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/nfs/dbraw/zinc/71/38/73/930713873.db2.gz IRVLJUDTLUZLCV-QGZVFWFLSA-N 0 0 399.922 3.589 20 10 GHCDRN CCOc1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)cn1 ZINC000781716019 930952859 /nfs/dbraw/zinc/95/28/59/930952859.db2.gz QDYSLQGNHFCIKW-UHFFFAOYSA-N 0 0 390.505 3.710 20 10 GHCDRN COC(=O)c1ccc(C[N@H+](C)Cc2cc(C)cc(Br)c2[O-])cc1 ZINC000781895631 931015485 /nfs/dbraw/zinc/01/54/85/931015485.db2.gz DGPBGNZREIAWAU-UHFFFAOYSA-N 0 0 378.266 3.882 20 10 GHCDRN Cc1ccc(F)cc1C(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000781957223 931042450 /nfs/dbraw/zinc/04/24/50/931042450.db2.gz HRLAJUWEDMYIQN-HXUWFJFHSA-N 0 0 398.478 3.591 20 10 GHCDRN COCCN(Cc1ccn(-c2ccccc2F)n1)c1ccc(OC)c(OC)c1 ZINC000782515437 931250791 /nfs/dbraw/zinc/25/07/91/931250791.db2.gz AIRYGDRIRWREFE-UHFFFAOYSA-N 0 0 385.439 3.682 20 10 GHCDRN C[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1[O-])[C@@H]1CCCOC1 ZINC000780780095 931270559 /nfs/dbraw/zinc/27/05/59/931270559.db2.gz ICUMEBAVCUBWIC-NXEZZACHSA-N 0 0 393.119 3.822 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000782713088 931311219 /nfs/dbraw/zinc/31/12/19/931311219.db2.gz WPPQPEFOLXDLRK-UHFFFAOYSA-N 0 0 378.480 3.776 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC[C@H](c2ncccn2)C1 ZINC000924328230 931326916 /nfs/dbraw/zinc/32/69/16/931326916.db2.gz LQZKBUFCQQSQOJ-SFHVURJKSA-N 0 0 388.471 3.716 20 10 GHCDRN Fc1cc(CNc2nnc(CCCc3ccccc3)o2)ccc1N1CCOCC1 ZINC000777518543 931328384 /nfs/dbraw/zinc/32/83/84/931328384.db2.gz QKTMCMVOLBYXII-UHFFFAOYSA-N 0 0 396.466 3.833 20 10 GHCDRN O=C(CNc1ccc(C2CCC2)cc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000783286062 931481968 /nfs/dbraw/zinc/48/19/68/931481968.db2.gz QDULPNTUUMNQEF-UHFFFAOYSA-N 0 0 397.494 3.658 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000783299733 931513593 /nfs/dbraw/zinc/51/35/93/931513593.db2.gz SVQJZGLWYSVLBO-UONOGXRCSA-N 0 0 379.457 3.741 20 10 GHCDRN Cc1ccc(-c2ncc(C(=O)OCC(=O)c3ccc(O)c(O)c3)s2)c(C)c1 ZINC000783302700 931514929 /nfs/dbraw/zinc/51/49/29/931514929.db2.gz XZFQJGHQMRLXBA-UHFFFAOYSA-N 0 0 383.425 3.878 20 10 GHCDRN CC(C)(C(=O)OCC(=O)c1ccc(O)c(O)c1)c1cccc(C(F)(F)F)c1 ZINC000783412137 931541249 /nfs/dbraw/zinc/54/12/49/931541249.db2.gz WPIVIPXYLMTXBO-UHFFFAOYSA-N 0 0 382.334 3.820 20 10 GHCDRN CC(C)n1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cn1 ZINC000783483323 931559687 /nfs/dbraw/zinc/55/96/87/931559687.db2.gz SHIDFXQPWCJKRO-INIZCTEOSA-N 0 0 391.475 3.779 20 10 GHCDRN CC(C)COc1ccc(C(C)(C)C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1 ZINC000783561736 931582382 /nfs/dbraw/zinc/58/23/82/931582382.db2.gz SIAKSFUDSIODCK-UHFFFAOYSA-N 0 0 386.444 3.836 20 10 GHCDRN CCN1C(=O)/C(=C/c2cn(-c3ccc(Cl)c(Cl)c3)nn2)SC1=S ZINC000783695728 931620840 /nfs/dbraw/zinc/62/08/40/931620840.db2.gz AILBWSQRHUIWLW-XGICHPGQSA-N 0 0 385.301 3.795 20 10 GHCDRN O=C1/C(=C/c2cc(-n3ccnc3)cs2)SC(=S)N1CCc1ccccn1 ZINC000783697246 931621755 /nfs/dbraw/zinc/62/17/55/931621755.db2.gz BQPYUKNFYBDDKC-YBEGLDIGSA-N 0 0 398.538 3.773 20 10 GHCDRN C[C@H](NC(=O)N[C@@H]1C[C@@H](OC(C)(C)C)C12CCOCC2)c1ccccc1O ZINC000925226771 931708481 /nfs/dbraw/zinc/70/84/81/931708481.db2.gz WRGVUAGYOUKMGE-BMGDILEWSA-N 0 0 376.497 3.505 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)/C=C(\C)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000783919305 931716025 /nfs/dbraw/zinc/71/60/25/931716025.db2.gz FOBBFJXRAWUPBG-WUKNDPDISA-N 0 0 395.459 3.746 20 10 GHCDRN COc1cc(C)ccc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 ZINC000784062162 931771204 /nfs/dbraw/zinc/77/12/04/931771204.db2.gz ZBPCTDPOZYWQPQ-UHFFFAOYSA-N 0 0 381.476 3.890 20 10 GHCDRN C[C@H](C1CC1)n1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cn1 ZINC000784112890 931787874 /nfs/dbraw/zinc/78/78/74/931787874.db2.gz PJCFTWPRZLMZHR-OAHLLOKOSA-N 0 0 395.507 3.598 20 10 GHCDRN COc1cc(Br)ccc1CCCNC(=O)NCc1ccccc1O ZINC000784532354 931927924 /nfs/dbraw/zinc/92/79/24/931927924.db2.gz CUWQZFPFUWDBCV-UHFFFAOYSA-N 0 0 393.281 3.595 20 10 GHCDRN COc1ccc(C2(CNC(=O)N[C@@H](C)c3cc(OC)ccc3O)CCC2)cc1 ZINC000784537702 931929097 /nfs/dbraw/zinc/92/90/97/931929097.db2.gz KDFRMZKPPBGMJJ-HNNXBMFYSA-N 0 0 384.476 3.892 20 10 GHCDRN CC[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)c1ccc(F)cc1[O-] ZINC000796703787 932035704 /nfs/dbraw/zinc/03/57/04/932035704.db2.gz WBWFAVLVAMHWJA-MRXNPFEDSA-N 0 0 395.272 3.765 20 10 GHCDRN CN1CCCc2cc(CN3C(=O)[C@@H]4CC[C@@H](c5ccccc5)N4C3=O)ccc21 ZINC000797137251 932197971 /nfs/dbraw/zinc/19/79/71/932197971.db2.gz KYVTUMVHXQWGFU-SFTDATJTSA-N 0 0 375.472 3.737 20 10 GHCDRN CN(Cc1ccccc1O)S(=O)(=O)c1cc(Cl)ccc1Br ZINC000797447962 932288273 /nfs/dbraw/zinc/28/82/73/932288273.db2.gz IPNBUBACEMUMGU-UHFFFAOYSA-N 0 0 390.686 3.629 20 10 GHCDRN Cc1ccc(N2CCOCC2)cc1N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000797588465 932336217 /nfs/dbraw/zinc/33/62/17/932336217.db2.gz NBFZECHRMNBKIN-SFHVURJKSA-N 0 0 399.510 3.980 20 10 GHCDRN COc1ccccc1-n1nccc1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000797605524 932342239 /nfs/dbraw/zinc/34/22/39/932342239.db2.gz SMWOEEOXEYOMFH-UHFFFAOYSA-N 0 0 388.265 3.639 20 10 GHCDRN C[C@@H](NC(=O)c1cn(C)c2ccc(F)cc12)c1ccc(N2CCOCC2)cc1 ZINC000797616518 932345225 /nfs/dbraw/zinc/34/52/25/932345225.db2.gz ZCDCZUOWXUCZJT-OAHLLOKOSA-N 0 0 381.451 3.645 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)N[C@H](CCc1ccccc1)C(F)(F)F ZINC000797646266 932354714 /nfs/dbraw/zinc/35/47/14/932354714.db2.gz URZLCMJFHCBKBJ-SCLBCKFNSA-N 0 0 396.409 3.892 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000797646264 932354796 /nfs/dbraw/zinc/35/47/96/932354796.db2.gz URZLCMJFHCBKBJ-ACJLOTCBSA-N 0 0 396.409 3.892 20 10 GHCDRN Cn1cc(-c2cc(F)ccc2NC(=O)NCc2ccc3c(c2)CCCN3C)cn1 ZINC000797668487 932362315 /nfs/dbraw/zinc/36/23/15/932362315.db2.gz CBYBSCUHLIWYHO-UHFFFAOYSA-N 0 0 393.466 3.930 20 10 GHCDRN O=C(c1cc2ccccc2c(=O)o1)N(Cc1ccco1)Cc1ccccc1O ZINC000797738351 932387512 /nfs/dbraw/zinc/38/75/12/932387512.db2.gz RCCXQCKNOKOWDT-UHFFFAOYSA-N 0 0 375.380 3.934 20 10 GHCDRN Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc2ccccc2O)cc1 ZINC000797737798 932387925 /nfs/dbraw/zinc/38/79/25/932387925.db2.gz KCGFSSLGERGRSS-LJQANCHMSA-N 0 0 384.476 3.925 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000797766738 932400802 /nfs/dbraw/zinc/40/08/02/932400802.db2.gz PUYLOKFGFMWJKY-AUSIDOKSSA-N 0 0 382.504 3.813 20 10 GHCDRN CNC(=O)C[C@H](NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)c1ccccc1 ZINC000797766400 932400857 /nfs/dbraw/zinc/40/08/57/932400857.db2.gz LKRHZNYEQVRWEG-NRFANRHFSA-N 0 0 393.462 3.840 20 10 GHCDRN Cc1nc2c(nccc2C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)[nH]1 ZINC000797824399 932418386 /nfs/dbraw/zinc/41/83/86/932418386.db2.gz MPKSCSXCGCGUIA-UHFFFAOYSA-N 0 0 389.459 3.768 20 10 GHCDRN Cc1cc(C(=O)N2CCn3c(nnc3C(F)F)C2)c(C)n1-c1cccc(C)c1 ZINC000798252106 932578428 /nfs/dbraw/zinc/57/84/28/932578428.db2.gz NQFPRVYXXLWCBK-UHFFFAOYSA-N 0 0 385.418 3.588 20 10 GHCDRN CCOC(=O)c1c(NC(=O)c2cnnn2C)sc(C)c1-c1ccc(C)cc1 ZINC000798358654 932613050 /nfs/dbraw/zinc/61/30/50/932613050.db2.gz BCDYKLDQFYMJGJ-UHFFFAOYSA-N 0 0 384.461 3.589 20 10 GHCDRN Cn1c2ccc(C(=O)Nc3cccc(N4CCOCC4)c3)cc2nc1C(F)F ZINC000798426757 932642485 /nfs/dbraw/zinc/64/24/85/932642485.db2.gz FVGGTLJAKMZANZ-UHFFFAOYSA-N 0 0 386.402 3.600 20 10 GHCDRN O=S(=O)(c1cccc2nsnc21)N1CC[C@@H](C(F)(F)F)c2ccccc21 ZINC000559410246 932659105 /nfs/dbraw/zinc/65/91/05/932659105.db2.gz YLFHAJGPGRXNBV-LLVKDONJSA-N 0 0 399.419 3.936 20 10 GHCDRN CCOC(=O)CN(C(=O)/C=C\c1cnc2ccccc2n1)c1ccc(C)cc1 ZINC000798731790 932759488 /nfs/dbraw/zinc/75/94/88/932759488.db2.gz QJUFBXIEVYOCAG-RAXLEYEMSA-N 0 0 375.428 3.548 20 10 GHCDRN CN(c1ccc(CNC(=O)[C@@H]2CCc3cnn(C)c3C2)cc1)C1CCCCC1 ZINC000798935202 932823138 /nfs/dbraw/zinc/82/31/38/932823138.db2.gz NQPROWHFSCVWRS-GOSISDBHSA-N 0 0 380.536 3.610 20 10 GHCDRN C[C@H](Nc1cnc(N2CCOCC2)c(Br)c1)c1cc(F)ccc1O ZINC000798941440 932826823 /nfs/dbraw/zinc/82/68/23/932826823.db2.gz XSNOALIOCPCLFH-NSHDSACASA-N 0 0 396.260 3.699 20 10 GHCDRN C[C@H](Nc1cnc(N2CCOCC2)c(Br)c1)c1ccccc1O ZINC000798940936 932827306 /nfs/dbraw/zinc/82/73/06/932827306.db2.gz QMXXGDQKMZNRRD-LBPRGKRZSA-N 0 0 378.270 3.559 20 10 GHCDRN Cc1ncc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(C2CC2)n1 ZINC000799231268 932927459 /nfs/dbraw/zinc/92/74/59/932927459.db2.gz CSPPHVOBUXIJAF-KRWDZBQOSA-N 0 0 382.464 3.581 20 10 GHCDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000799234470 932928661 /nfs/dbraw/zinc/92/86/61/932928661.db2.gz DKDTXBYWINYILM-LLVKDONJSA-N 0 0 375.381 3.590 20 10 GHCDRN COc1ccc(O)c(CNC(=O)Nc2nn(-c3ccc(Cl)cc3)cc2C)c1 ZINC000799248857 932933745 /nfs/dbraw/zinc/93/37/45/932933745.db2.gz YLVMRFRNRDOAHB-UHFFFAOYSA-N 0 0 386.839 3.870 20 10 GHCDRN COC(=O)c1sc(/C=C\c2ccc(N3CCOCC3)c(F)c2)nc1Cl ZINC000799498310 933020368 /nfs/dbraw/zinc/02/03/68/933020368.db2.gz GOKFWXZEWDYSBD-HYXAFXHYSA-N 0 0 382.844 3.729 20 10 GHCDRN COc1ccc2occ(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c2c1 ZINC000799636706 933073999 /nfs/dbraw/zinc/07/39/99/933073999.db2.gz MUOGFMSGAKLXRS-UHFFFAOYSA-N 0 0 394.471 3.580 20 10 GHCDRN CC[C@@H](Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)c1ccc(N(C)C)cc1 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ZINC001228201780 1032837354 /nfs/dbraw/zinc/83/73/54/1032837354.db2.gz QEVXLALRZMPXIH-INIZCTEOSA-N 0 0 384.476 3.512 20 10 GHCDRN O=C(CCCCc1ccc(Br)cc1)NCc1ccc(O)c(O)c1 ZINC000778923104 1019979806 /nfs/dbraw/zinc/97/98/06/1019979806.db2.gz KQWINUJXQOKYBI-UHFFFAOYSA-N 0 0 378.266 3.890 20 10 GHCDRN Cc1cc(C(=O)N2CCC(O)(C(F)F)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000779307876 1020695275 /nfs/dbraw/zinc/69/52/75/1020695275.db2.gz AEQZNPQBWOBURK-UHFFFAOYSA-N 0 0 376.447 3.943 20 10 GHCDRN C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C[C@@H]1F ZINC000779360201 1020741282 /nfs/dbraw/zinc/74/12/82/1020741282.db2.gz BHFVTAXRMGHVPJ-CPUCHLNUSA-N 0 0 385.430 3.646 20 10 GHCDRN CCOC(=O)Cc1cnc(NCc2cc(C)cc(Br)c2O)s1 ZINC000834482361 1021217601 /nfs/dbraw/zinc/21/76/01/1021217601.db2.gz GHYJQYAESIHCLB-UHFFFAOYSA-N 0 0 385.283 3.637 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(C)c(C)n1 ZINC000834509633 1021235566 /nfs/dbraw/zinc/23/55/66/1021235566.db2.gz GFFJKJKWYHZLRZ-UHFFFAOYSA-N 0 0 383.492 3.701 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc2occc2[nH]1 ZINC000834514597 1021238469 /nfs/dbraw/zinc/23/84/69/1021238469.db2.gz QJCZKBFMQZYXRZ-UHFFFAOYSA-N 0 0 383.448 3.763 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC001626155802 1021293013 /nfs/dbraw/zinc/29/30/13/1021293013.db2.gz AFUWEZUHVLXGHF-UHFFFAOYSA-N 0 0 393.487 3.700 20 10 GHCDRN COC(=O)[C@@H](C)Oc1cc(C[C@@H](C)[C@@H](C)Cc2ccc(O)c(O)c2)ccc1O ZINC001228522973 1032969815 /nfs/dbraw/zinc/96/98/15/1032969815.db2.gz RGJOVHHWSQZUIC-RRFJBIMHSA-N 0 0 388.460 3.801 20 10 GHCDRN O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000800901113 1021348622 /nfs/dbraw/zinc/34/86/22/1021348622.db2.gz CCULXAQTSOLPQE-OAHLLOKOSA-N 0 0 390.281 3.551 20 10 GHCDRN Cc1cc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c(C)n1-c1cccc(C)c1 ZINC000802247897 1021484599 /nfs/dbraw/zinc/48/45/99/1021484599.db2.gz ZFTVDHCMBQPNJL-SIKLNZKXSA-N 0 0 396.531 3.700 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CC(c2ccc(OC)cc2)=NO1 ZINC000802362187 1021501228 /nfs/dbraw/zinc/50/12/28/1021501228.db2.gz AKJKXQRVHJCJMP-IBGZPJMESA-N 0 0 397.475 3.516 20 10 GHCDRN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000802655581 1021516439 /nfs/dbraw/zinc/51/64/39/1021516439.db2.gz AYPFXZZHELKIOZ-IBGZPJMESA-N 0 0 376.294 3.681 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1nnc(-c2ccc(F)cn2)o1 ZINC000902782607 1021538592 /nfs/dbraw/zinc/53/85/92/1021538592.db2.gz FYVYTSHGEQIBBW-UHFFFAOYSA-N 0 0 395.438 3.533 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000834906487 1021660463 /nfs/dbraw/zinc/66/04/63/1021660463.db2.gz FICKQRBVYNSOAU-LZWOXQAQSA-N 0 0 392.496 3.523 20 10 GHCDRN COC(=O)c1cc2c(o1)c(OC)ccc2/C=C1\SC(=S)N(C2CC2)C1=O ZINC000749017192 1021738927 /nfs/dbraw/zinc/73/89/27/1021738927.db2.gz RDDSBLHXULSAPU-AUWJEWJLSA-N 0 0 389.454 3.592 20 10 GHCDRN CS(=O)(=O)c1cccc([C@H]2CCCN(Cc3ccc(Cl)cc3O)C2)c1 ZINC001140464659 1021756925 /nfs/dbraw/zinc/75/69/25/1021756925.db2.gz ZDOXZHMQEGQQCN-HNNXBMFYSA-N 0 0 379.909 3.829 20 10 GHCDRN Oc1cc(Cl)ccc1CN1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001140465142 1021757302 /nfs/dbraw/zinc/75/73/02/1021757302.db2.gz JLEFIFMMHOFQMF-IDHHARJASA-N 0 0 394.924 3.698 20 10 GHCDRN CN(C)c1ccc(/C=C\CNc2ccc(F)c(N3CCCS3(=O)=O)c2)cc1 ZINC000835033634 1021790430 /nfs/dbraw/zinc/79/04/30/1021790430.db2.gz WEIGXQRDBYLGLX-HYXAFXHYSA-N 0 0 389.496 3.557 20 10 GHCDRN Cc1cc(C(=O)NC[C@@H](O)CC(C)C)c(C)n1-c1ccc(Br)cc1 ZINC001137359881 1021951602 /nfs/dbraw/zinc/95/16/02/1021951602.db2.gz MZOKGJGQNYRQDS-KRWDZBQOSA-N 0 0 393.325 3.993 20 10 GHCDRN [O-]c1cc(F)cc(F)c1C[NH+]1CCC2(CCOC[C@H]2COCC2CC2)CC1 ZINC001140581427 1022002031 /nfs/dbraw/zinc/00/20/31/1022002031.db2.gz VYUUTNVCLVPXET-INIZCTEOSA-N 0 0 381.463 3.716 20 10 GHCDRN Cc1ccc(O)c(CN2CCn3c(COCc4cccc(C)n4)cnc3[C@H]2C)c1 ZINC001140622235 1022095370 /nfs/dbraw/zinc/09/53/70/1022095370.db2.gz YUXMBLUANGFQLL-GOSISDBHSA-N 0 0 392.503 3.894 20 10 GHCDRN CN(C)c1ccc(CN(C)Cc2cnn(-c3ccccc3)n2)c(C(F)(F)F)c1 ZINC001204690340 1033031449 /nfs/dbraw/zinc/03/14/49/1033031449.db2.gz PFAMOJMDNITTBL-UHFFFAOYSA-N 0 0 389.425 3.984 20 10 GHCDRN Nc1ccc(Cc2nc(C(=O)NC3CCN(c4ccccc4)CC3)cs2)cc1 ZINC000827544117 1022272262 /nfs/dbraw/zinc/27/22/62/1022272262.db2.gz WHJIHBHQAFKZOG-UHFFFAOYSA-N 0 0 392.528 3.715 20 10 GHCDRN C[C@H](O)CN(CC(F)F)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000835940495 1022491921 /nfs/dbraw/zinc/49/19/21/1022491921.db2.gz SGOQWWMDGAIYLD-ZDUSSCGKSA-N 0 0 390.390 3.515 20 10 GHCDRN COc1ccc(/C=C(\C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1F ZINC000754172068 1022521317 /nfs/dbraw/zinc/52/13/17/1022521317.db2.gz WNLIKJBSNRVWDP-FYPAKXHLSA-N 0 0 398.478 3.952 20 10 GHCDRN CCC(CC)NC(=O)[C@@H]1CN(C(=O)/C=C\c2ccc(C)nc2)c2ccccc2O1 ZINC000754204702 1022535201 /nfs/dbraw/zinc/53/52/01/1022535201.db2.gz WQKANEIHPKTIBS-SQZREULQSA-N 0 0 393.487 3.502 20 10 GHCDRN Cc1ccc(/C=C\C(=O)N(CC(=O)OC(C)(C)C)c2ccc3c(c2)OCO3)cn1 ZINC000754325454 1022623420 /nfs/dbraw/zinc/62/34/20/1022623420.db2.gz ZQTKGHWUYYTDNU-YFHOEESVSA-N 0 0 396.443 3.507 20 10 GHCDRN CC(=O)CCCCCCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000754406677 1022680249 /nfs/dbraw/zinc/68/02/49/1022680249.db2.gz WVXJXDABGOPQSG-HDICACEKSA-N 0 0 392.515 3.985 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000836248675 1022769450 /nfs/dbraw/zinc/76/94/50/1022769450.db2.gz JBEPQJPNNJHYQP-HXUWFJFHSA-N 0 0 381.476 3.553 20 10 GHCDRN Cc1cc(C(=O)CS[C@@H]2CCO[C@@H]2C)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000754727067 1022862072 /nfs/dbraw/zinc/86/20/72/1022862072.db2.gz HVCLKNVXZJBYIK-QVKFZJNVSA-N 0 0 387.501 3.959 20 10 GHCDRN COc1cccc([C@H]2C[C@H](NC(=O)NCc3ccc(N4CC=CC4)cc3)C2)c1 ZINC000836320712 1022868692 /nfs/dbraw/zinc/86/86/92/1022868692.db2.gz RYOSQTMXWLBLCD-MXVIHJGJSA-N 0 0 377.488 3.817 20 10 GHCDRN Cc1nc(COC[C@@H]2Cn3ccnc3CN(Cc3ccc(C)cc3O)C2)cs1 ZINC001140950028 1022971253 /nfs/dbraw/zinc/97/12/53/1022971253.db2.gz RDNZRTWHMNKELI-KRWDZBQOSA-N 0 0 398.532 3.511 20 10 GHCDRN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCC[C@H]2c2ccccc2)c1 ZINC000836447397 1022977952 /nfs/dbraw/zinc/97/79/52/1022977952.db2.gz XSNJECIAVIBVCU-QHCPKHFHSA-N 0 0 394.515 3.764 20 10 GHCDRN FC(F)(F)Oc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1 ZINC001204809308 1033098924 /nfs/dbraw/zinc/09/89/24/1033098924.db2.gz WLZOKOFYKLWXPY-UHFFFAOYSA-N 0 0 376.382 3.784 20 10 GHCDRN C[C@@H](NC(=O)N1CC[C@](C)(c2ccccc2)C1)c1ccc(N2CCOCC2)cc1 ZINC000755129226 1023086262 /nfs/dbraw/zinc/08/62/62/1023086262.db2.gz DRAXDHIMXJMPGA-DVECYGJZSA-N 0 0 393.531 3.957 20 10 GHCDRN CC[C@H]1CCCC[C@H]1CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000836551702 1023106694 /nfs/dbraw/zinc/10/66/94/1023106694.db2.gz VXXHVIVYVVJHNG-ROUUACIJSA-N 0 0 391.531 3.802 20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)Cc3ccc(F)c(F)c3)cc2F)C[C@H](C)O1 ZINC000755200347 1023121338 /nfs/dbraw/zinc/12/13/38/1023121338.db2.gz KLAVYWHMJZXRPI-KBPBESRZSA-N 0 0 392.421 3.576 20 10 GHCDRN c1snnc1CN1CCN(c2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC001140999539 1023132973 /nfs/dbraw/zinc/13/29/73/1023132973.db2.gz XGYYIMCQUHPDFG-UHFFFAOYSA-N 0 0 377.473 3.669 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NC[C@@](C)(OC)c3ccccc3)CC2)cc1 ZINC000836587604 1023151112 /nfs/dbraw/zinc/15/11/12/1023151112.db2.gz CJALQZMRZDDICQ-HSZRJFAPSA-N 0 0 397.519 3.525 20 10 GHCDRN O=C(NCCCSc1nccs1)N[C@@H](c1nccs1)C(F)(F)F ZINC000836693192 1023262459 /nfs/dbraw/zinc/26/24/59/1023262459.db2.gz QDFDYKKYAKDENL-QMMMGPOBSA-N 0 0 382.458 3.685 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)CSc1nc(-c2ccccc2)no1 ZINC000755492339 1023270557 /nfs/dbraw/zinc/27/05/57/1023270557.db2.gz FGDTYXMNNYEGEF-UHFFFAOYSA-N 0 0 383.473 3.973 20 10 GHCDRN CC(=O)N(c1ccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)cc1)[C@@H]1C[C@H]1C ZINC000836703783 1023277440 /nfs/dbraw/zinc/27/74/40/1023277440.db2.gz JTFKHYPMRZUKAT-SPLOXXLWSA-N 0 0 398.482 3.975 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)cc1 ZINC000836706033 1023280490 /nfs/dbraw/zinc/28/04/90/1023280490.db2.gz PPHHJDSAKHHLLW-UHFFFAOYSA-N 0 0 392.507 3.958 20 10 GHCDRN Cc1cnc(OC(C)C)c(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000836707795 1023284313 /nfs/dbraw/zinc/28/43/13/1023284313.db2.gz JCOSFUDDZLXARX-UHFFFAOYSA-N 0 0 398.507 3.678 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCN(c3ncccc3F)C2)cc1 ZINC000755576158 1023299318 /nfs/dbraw/zinc/29/93/18/1023299318.db2.gz LUEMZTJYWZUUEI-SFHVURJKSA-N 0 0 378.451 3.637 20 10 GHCDRN O=C(c1ccc2c(c1O)CCCC2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000755581612 1023301327 /nfs/dbraw/zinc/30/13/27/1023301327.db2.gz XLTUCZBBOIGFQK-GOSISDBHSA-N 0 0 381.472 3.798 20 10 GHCDRN Cc1cc(C(=O)COC(=O)CCc2ccncn2)c(C)n1-c1ccccc1C ZINC000755633575 1023320091 /nfs/dbraw/zinc/32/00/91/1023320091.db2.gz ZRFRVYYFUYYYLQ-UHFFFAOYSA-N 0 0 377.444 3.551 20 10 GHCDRN Cc1noc(-c2ccc(NC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)cn2)n1 ZINC000836735292 1023322857 /nfs/dbraw/zinc/32/28/57/1023322857.db2.gz MSNXDHOWRCNFJC-UHFFFAOYSA-N 0 0 394.479 3.949 20 10 GHCDRN CC(C)c1ncsc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000836742032 1023329612 /nfs/dbraw/zinc/32/96/12/1023329612.db2.gz VDTMTXSYWQFINB-UHFFFAOYSA-N 0 0 388.537 3.797 20 10 GHCDRN Cc1nc(-c2ccc(C)c(NC(=O)NCc3ccc(N(C)C)c(F)c3)c2)n[nH]1 ZINC000755826969 1023393216 /nfs/dbraw/zinc/39/32/16/1023393216.db2.gz BXDRGEZQKUMTIM-UHFFFAOYSA-N 0 0 382.443 3.615 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NCCC3Cc4ccccc4C3)CC2)cc1 ZINC000756083587 1023514560 /nfs/dbraw/zinc/51/45/60/1023514560.db2.gz CLPPPCSDMJUVMN-UHFFFAOYSA-N 0 0 393.531 3.722 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(N3CCC(C)CC3)nc2)c1 ZINC000756416689 1023636659 /nfs/dbraw/zinc/63/66/59/1023636659.db2.gz IGHHLHGJBNIWAX-INIZCTEOSA-N 0 0 383.492 3.661 20 10 GHCDRN CC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1ccccc1OCC(=O)N(C)C ZINC000756434748 1023647722 /nfs/dbraw/zinc/64/77/22/1023647722.db2.gz YQXBFFBHKHFJMV-ACJLOTCBSA-N 0 0 392.446 3.939 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1cc(Br)cc(Br)c1[O-] ZINC000756447375 1023652644 /nfs/dbraw/zinc/65/26/44/1023652644.db2.gz UZOPLWWVJVIFAH-KOLCDFICSA-N 0 0 392.135 3.662 20 10 GHCDRN CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756453940 1023659586 /nfs/dbraw/zinc/65/95/86/1023659586.db2.gz BLFNZIJBJMCSOY-UWVGGRQHSA-N 0 0 377.710 3.764 20 10 GHCDRN C[C@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)c1cc(F)cc(F)c1[O-] ZINC000756456173 1023660912 /nfs/dbraw/zinc/66/09/12/1023660912.db2.gz CIPOXGCSDHBOCM-GXFFZTMASA-N 0 0 391.336 3.780 20 10 GHCDRN C[C@@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)c1cc(F)cc(F)c1[O-] ZINC000756458107 1023661715 /nfs/dbraw/zinc/66/17/15/1023661715.db2.gz JOIMAGKJKUNNSA-HUUCEWRRSA-N 0 0 376.447 3.742 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1cc(F)cc(F)c1[O-] ZINC000756462317 1023664992 /nfs/dbraw/zinc/66/49/92/1023664992.db2.gz XOOQZBGMXPLVRJ-ZWNOBZJWSA-N 0 0 391.336 3.780 20 10 GHCDRN C[C@@H]([NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1)c1cc(F)cc(F)c1[O-] ZINC000756474512 1023674142 /nfs/dbraw/zinc/67/41/42/1023674142.db2.gz JAAHMXIHZAAKND-BFUOFWGJSA-N 0 0 380.410 3.534 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000756480603 1023678147 /nfs/dbraw/zinc/67/81/47/1023678147.db2.gz WYMFCNDIHGWWRQ-CYBMUJFWSA-N 0 0 390.867 3.902 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)c1 ZINC000756510157 1023690319 /nfs/dbraw/zinc/69/03/19/1023690319.db2.gz NZGUICALXSCYSV-JKSUJKDBSA-N 0 0 388.533 3.803 20 10 GHCDRN CO[C@@H](C)CC[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000756528633 1023699777 /nfs/dbraw/zinc/69/97/77/1023699777.db2.gz OFMCKUHQYSAVQC-DTWKUNHWSA-N 0 0 381.108 3.993 20 10 GHCDRN Cc1nc(CN2CCC(C[NH2+][C@H](C)c3cc(F)cc(F)c3[O-])CC2)oc1C ZINC000756568443 1023715700 /nfs/dbraw/zinc/71/57/00/1023715700.db2.gz FEKRAROQEUFDLC-CYBMUJFWSA-N 0 0 379.451 3.838 20 10 GHCDRN C[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1cc(Br)c(F)cc1[O-] ZINC000756576441 1023718883 /nfs/dbraw/zinc/71/88/83/1023718883.db2.gz UIQJNZKYFIMXBE-LLVKDONJSA-N 0 0 381.245 3.973 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1cc(Br)cc(F)c1[O-] ZINC000756582354 1023720666 /nfs/dbraw/zinc/72/06/66/1023720666.db2.gz HORGAOJNCLBCTO-GMXVVIOVSA-N 0 0 387.293 3.591 20 10 GHCDRN C[C@H](NC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCOCC1)c1ccccc1 ZINC000756594827 1023727559 /nfs/dbraw/zinc/72/75/59/1023727559.db2.gz PLTQOYPTIQLKEO-IRXDYDNUSA-N 0 0 399.491 3.851 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756599146 1023729552 /nfs/dbraw/zinc/72/95/52/1023729552.db2.gz XNWGVZRJKDRJDD-BLLLJJGKSA-N 0 0 389.839 3.800 20 10 GHCDRN COC(C)(C)C[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000756645686 1023753023 /nfs/dbraw/zinc/75/30/23/1023753023.db2.gz IMAMIWUYJXDFQL-MRVPVSSYSA-N 0 0 381.108 3.993 20 10 GHCDRN COc1cc(CN2CC[C@H]([NH2+][C@H](C)c3cc(F)cc(F)c3[O-])C2)cc(OC)c1 ZINC000756647954 1023753261 /nfs/dbraw/zinc/75/32/61/1023753261.db2.gz UHOSWTYWFLZKAU-CJNGLKHVSA-N 0 0 392.446 3.613 20 10 GHCDRN COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)c2noc(Cc3ccccc3)n2)c1 ZINC000756648842 1023753658 /nfs/dbraw/zinc/75/36/58/1023753658.db2.gz LKXLHTYMUVMJNA-KBPBESRZSA-N 0 0 381.432 3.564 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2nccn2CCCc2ccccc2)c1 ZINC000756650273 1023754033 /nfs/dbraw/zinc/75/40/33/1023754033.db2.gz VGNKZWNAFKUWTB-QGZVFWFLSA-N 0 0 393.487 3.859 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccccc2-n2nc(C)cc2C)c1 ZINC000756655520 1023756411 /nfs/dbraw/zinc/75/64/11/1023756411.db2.gz QJTDZEFZTAVMNX-MRXNPFEDSA-N 0 0 379.460 3.832 20 10 GHCDRN CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000756656365 1023757272 /nfs/dbraw/zinc/75/72/72/1023757272.db2.gz WJRABKBVUMUQOX-XUEUYAKLSA-N 0 0 399.491 3.631 20 10 GHCDRN C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756664375 1023762224 /nfs/dbraw/zinc/76/22/24/1023762224.db2.gz OBWCWQOPXTUJRF-LLVKDONJSA-N 0 0 378.812 3.966 20 10 GHCDRN CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])[C@H](O)c1c(F)cccc1F ZINC000756734150 1023792303 /nfs/dbraw/zinc/79/23/03/1023792303.db2.gz UYUDLWVHXWDAAR-UTLVKMTRSA-N 0 0 379.403 3.620 20 10 GHCDRN C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1cc(Br)cc(F)c1[O-] ZINC000756743760 1023796137 /nfs/dbraw/zinc/79/61/37/1023796137.db2.gz VSXRXYBKZPYEQG-LLVKDONJSA-N 0 0 391.244 3.725 20 10 GHCDRN C[C@@H]([NH2+][C@H](CO)CC(F)(F)F)c1cc(Br)cc(Cl)c1[O-] ZINC000756774985 1023810230 /nfs/dbraw/zinc/81/02/30/1023810230.db2.gz FSSZWMDGSSELRH-SVRRBLITSA-N 0 0 376.600 3.772 20 10 GHCDRN COc1ccc(N[C@@H](C)c2cc(F)cc(F)c2O)cc1OCC(=O)NC1CC1 ZINC000756802410 1023819186 /nfs/dbraw/zinc/81/91/86/1023819186.db2.gz BYQPCPYEKPDTGT-NSHDSACASA-N 0 0 392.402 3.510 20 10 GHCDRN CC[NH+]1CCN(Cc2ccc(N[C@@H](C)c3cc([N+](=O)[O-])ccc3[O-])cc2)CC1 ZINC000756806248 1023822026 /nfs/dbraw/zinc/82/20/26/1023822026.db2.gz YQDYLHZFRBVVHF-INIZCTEOSA-N 0 0 384.480 3.611 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccc3ccn(C)c(=O)c3c2)cc1 ZINC001204921052 1033167053 /nfs/dbraw/zinc/16/70/53/1033167053.db2.gz STZXQOPXKOGBDU-UHFFFAOYSA-N 0 0 378.476 3.706 20 10 GHCDRN Cc1cc(C(=O)N(C)CC[C@H](C)O)c(C)n1-c1ccc(Br)cc1 ZINC000756961701 1023887223 /nfs/dbraw/zinc/88/72/23/1023887223.db2.gz UERSPVQDORFQPB-ZDUSSCGKSA-N 0 0 379.298 3.700 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000757012223 1023907121 /nfs/dbraw/zinc/90/71/21/1023907121.db2.gz WRYDJVKTNHWZLC-UHFFFAOYSA-N 0 0 382.464 3.709 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])C[C@@H]1C(F)(F)F ZINC001138131061 1024185669 /nfs/dbraw/zinc/18/56/69/1024185669.db2.gz OFXJWWRALQZBQA-GXTWGEPZSA-N 0 0 392.393 3.809 20 10 GHCDRN COc1ccc(-c2cncc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)c2)c(C)c1 ZINC001138152758 1024249324 /nfs/dbraw/zinc/24/93/24/1024249324.db2.gz PLIKNFCXCIXYKQ-OAHLLOKOSA-N 0 0 392.455 3.838 20 10 GHCDRN C[C@@H]1CN(C)c2ccccc2CN1C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000831110064 1024360421 /nfs/dbraw/zinc/36/04/21/1024360421.db2.gz GQDCWLQMRVOLHJ-OAHLLOKOSA-N 0 0 392.528 3.797 20 10 GHCDRN C[C@@H](CC(F)(F)F)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000837441458 1024460816 /nfs/dbraw/zinc/46/08/16/1024460816.db2.gz XHYPAGSGGSKFMA-NWDGAFQWSA-N 0 0 380.357 3.962 20 10 GHCDRN Cc1c(CN2CCO[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c2ccccc2n1C ZINC001138254209 1024475818 /nfs/dbraw/zinc/47/58/18/1024475818.db2.gz SUCGKCLWFHQHGU-SFTDATJTSA-N 0 0 399.535 3.697 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@H]2CCCS2)c(C)n1-c1ccc(Cl)cn1 ZINC000837557057 1024550914 /nfs/dbraw/zinc/55/09/14/1024550914.db2.gz SISSIOLHJIWMQJ-MRXNPFEDSA-N 0 0 378.881 3.764 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@@H]2CCCS2)c(C)n1-c1ccc(Cl)cn1 ZINC000837557056 1024551286 /nfs/dbraw/zinc/55/12/86/1024551286.db2.gz SISSIOLHJIWMQJ-INIZCTEOSA-N 0 0 378.881 3.764 20 10 GHCDRN CC[C@H]1C[C@H](C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)CCO1 ZINC000837624471 1024594542 /nfs/dbraw/zinc/59/45/42/1024594542.db2.gz OVVWPTKQVMRTTM-WBVHZDCISA-N 0 0 388.439 3.559 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2ccnc(C3CC3)c2)c(C)n1-c1ccc(F)cn1 ZINC000837626677 1024595602 /nfs/dbraw/zinc/59/56/02/1024595602.db2.gz LBFALBHHHBQAMH-UHFFFAOYSA-N 0 0 393.418 3.940 20 10 GHCDRN CN(C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1CC(C)(C)C1 ZINC000837666913 1024619879 /nfs/dbraw/zinc/61/98/79/1024619879.db2.gz XOBZHEWIEJHIDK-UHFFFAOYSA-N 0 0 399.457 3.872 20 10 GHCDRN O=C(C/C=C/c1cccc(F)c1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837706922 1024650563 /nfs/dbraw/zinc/65/05/63/1024650563.db2.gz IEOOUBLTKBIWPO-DUXPYHPUSA-N 0 0 390.405 3.660 20 10 GHCDRN COc1ccncc1CNC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001141352213 1024667293 /nfs/dbraw/zinc/66/72/93/1024667293.db2.gz KFAGLUQYRXOSTP-UHFFFAOYSA-N 0 0 377.444 3.549 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2conc2C2CC2)c(C)n1-c1ccc(F)cn1 ZINC000837737992 1024673215 /nfs/dbraw/zinc/67/32/15/1024673215.db2.gz WDSJZOUHAMGPLN-UHFFFAOYSA-N 0 0 383.379 3.533 20 10 GHCDRN CN1CCCc2cc(CN3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C3)ccc21 ZINC001138356505 1024720887 /nfs/dbraw/zinc/72/08/87/1024720887.db2.gz PPCCKORWNUNAQG-ZWKOTPCHSA-N 0 0 377.504 3.506 20 10 GHCDRN Cc1ccc([C@H](C)NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)s1 ZINC000837821034 1024736625 /nfs/dbraw/zinc/73/66/25/1024736625.db2.gz SJQWBBKJEJCJSM-ZDUSSCGKSA-N 0 0 395.475 3.732 20 10 GHCDRN CCOCc1ncn2c1CN(Cc1ccc(N(CC)CC)cc1OC)CCC2 ZINC001138387439 1024761808 /nfs/dbraw/zinc/76/18/08/1024761808.db2.gz GJCKWPCTDJOZFJ-UHFFFAOYSA-N 0 0 386.540 3.680 20 10 GHCDRN CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141373210 1024762794 /nfs/dbraw/zinc/76/27/94/1024762794.db2.gz RWRNXYODEAFEJL-JTQLQIEISA-N 0 0 390.705 3.972 20 10 GHCDRN CCOC(=O)[C@@H]1CCCC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141374481 1024767423 /nfs/dbraw/zinc/76/74/23/1024767423.db2.gz JOPOITCRQYQEGS-LLVKDONJSA-N 0 0 390.705 3.973 20 10 GHCDRN CCN(CC)c1ccc(CN2CCn3ncc(Br)c3C2)c(OC)c1 ZINC001138392303 1024769619 /nfs/dbraw/zinc/76/96/19/1024769619.db2.gz UYBCHFMVKYVWHW-UHFFFAOYSA-N 0 0 393.329 3.516 20 10 GHCDRN CCOc1ccc(N2CCN(Cc3cccc(Oc4ncccn4)c3)CC2)cc1 ZINC001138621148 1025117495 /nfs/dbraw/zinc/11/74/95/1025117495.db2.gz DUBPCXXKNPVQAZ-UHFFFAOYSA-N 0 0 390.487 3.990 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@H](c1ncc[nH]1)c1ccccc1 ZINC000838479294 1025161794 /nfs/dbraw/zinc/16/17/94/1025161794.db2.gz PUQMUYOUTCKUTG-FQEVSTJZSA-N 0 0 377.492 3.715 20 10 GHCDRN Cc1nc2c(s1)CN(Cc1ccc(N3CCOCC3)c(Br)c1)C2 ZINC001138677735 1025203607 /nfs/dbraw/zinc/20/36/07/1025203607.db2.gz ORHHJUYPMGTGPV-UHFFFAOYSA-N 0 0 394.338 3.566 20 10 GHCDRN C[C@H](NC(=O)N1CC[C@](C)(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000838560842 1025209820 /nfs/dbraw/zinc/20/98/20/1025209820.db2.gz ZSXCWIWAKLNBJJ-BTYIYWSLSA-N 0 0 375.513 3.577 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000838679833 1025287389 /nfs/dbraw/zinc/28/73/89/1025287389.db2.gz DCUUQSXCMPGMNA-IRLDBZIGSA-N 0 0 396.535 3.988 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)NCCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000838688523 1025296197 /nfs/dbraw/zinc/29/61/97/1025296197.db2.gz PQWNAGOXSFSIBK-KRWDZBQOSA-N 0 0 391.512 3.713 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000838688129 1025297342 /nfs/dbraw/zinc/29/73/42/1025297342.db2.gz BEODLTSBWPZUBZ-SMDDNHRTSA-N 0 0 393.285 3.589 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCc3cc(F)c(F)c(F)c32)cc1 ZINC000838694631 1025304544 /nfs/dbraw/zinc/30/45/44/1025304544.db2.gz SQXYEYRHTOHMGA-INIZCTEOSA-N 0 0 377.410 3.999 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)Nc1ccccc1Cl ZINC000838744089 1025340909 /nfs/dbraw/zinc/34/09/09/1025340909.db2.gz HQMMYFMFRRYJMX-UHFFFAOYSA-N 0 0 381.810 3.777 20 10 GHCDRN CC(C)[C@@H]1CCCCN1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838747867 1025343395 /nfs/dbraw/zinc/34/33/95/1025343395.db2.gz YXGREMMBOJWDAS-SFHVURJKSA-N 0 0 381.467 3.522 20 10 GHCDRN Cc1ccc(CN(C)C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)s1 ZINC000838747792 1025344720 /nfs/dbraw/zinc/34/47/20/1025344720.db2.gz YIJPXSBRBFQGDF-UHFFFAOYSA-N 0 0 395.475 3.513 20 10 GHCDRN Cc1cc(CN2CCN(C(=O)c3cscn3)[C@@H](C)C2)ccc1N1CCCCC1 ZINC000839065559 1025553978 /nfs/dbraw/zinc/55/39/78/1025553978.db2.gz ONAQPFHGGBSHOS-SFHVURJKSA-N 0 0 398.576 3.788 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CC(C)(C)NC(=O)OC(C)(C)C ZINC001162114630 1025613329 /nfs/dbraw/zinc/61/33/29/1025613329.db2.gz OYULADLVLAPFSI-INIZCTEOSA-N 0 0 391.556 3.802 20 10 GHCDRN Fc1cc2c(c(F)c1F)[C@H](NCc1cc(F)c(N3CCOCC3)c(F)c1)CC2 ZINC000839144080 1025638136 /nfs/dbraw/zinc/63/81/36/1025638136.db2.gz FXSBBKRIFYJWQC-MRXNPFEDSA-N 0 0 398.375 3.996 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)Nc2cc3oc(=O)n(C)c3cc2F)C2CC2)cc1 ZINC000839163795 1025671567 /nfs/dbraw/zinc/67/15/67/1025671567.db2.gz PSBLYNKPYSAKHG-UHFFFAOYSA-N 0 0 398.438 3.533 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(OC)c(Cl)c(OC)c2)c1 ZINC000839170760 1025678954 /nfs/dbraw/zinc/67/89/54/1025678954.db2.gz QHFVVAVDXTVUCP-JTQLQIEISA-N 0 0 380.828 3.954 20 10 GHCDRN Cc1cc(C(=O)N2C[C@H](CO)OC(C)(C)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC001162365141 1025726243 /nfs/dbraw/zinc/72/62/43/1025726243.db2.gz MYTAWISTLSGZST-HXUWFJFHSA-N 0 0 384.520 3.829 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)C(=O)N(C)Cc2ccc(Cl)cc2)C2CC2)cc1 ZINC000839240407 1025751645 /nfs/dbraw/zinc/75/16/45/1025751645.db2.gz SQVCALLMXHILHF-UHFFFAOYSA-N 0 0 399.922 3.556 20 10 GHCDRN C[C@@H](c1cccs1)N(C)C(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000839245438 1025752610 /nfs/dbraw/zinc/75/26/10/1025752610.db2.gz SRRXMGVURGCVIY-KRWDZBQOSA-N 0 0 399.560 3.916 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)Cc1cc(Cl)ccc1F ZINC000839269977 1025766624 /nfs/dbraw/zinc/76/66/24/1025766624.db2.gz AABCNODYIBMALK-UHFFFAOYSA-N 0 0 392.858 3.582 20 10 GHCDRN CO[C@@H](Cc1ccccc1)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000839271444 1025768301 /nfs/dbraw/zinc/76/83/01/1025768301.db2.gz CMTONYMLEDDOMW-IBGZPJMESA-N 0 0 394.437 3.901 20 10 GHCDRN CCCCc1ccc(CC(=O)N(CC(=O)OCC)Cc2ccccc2O)cc1 ZINC001162540164 1025785500 /nfs/dbraw/zinc/78/55/00/1025785500.db2.gz RSRSLHFCDPGECT-UHFFFAOYSA-N 0 0 383.488 3.869 20 10 GHCDRN COc1ccc(CN(CC2CC2)C(=O)c2ccc(N=NC(N)=O)cc2)c(OC)c1 ZINC001139067177 1025864695 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CO[C@H](C)c1nc(CNC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cs1 ZINC000840320444 1027450434 /nfs/dbraw/zinc/45/04/34/1027450434.db2.gz CYQFQINRTLWSJJ-LSDHHAIUSA-N 0 0 390.553 3.655 20 10 GHCDRN COc1ccc(CN2CCN(Cc3ccccc3)C[C@@H]2C(F)(F)F)c(O)c1 ZINC001203634922 1027491832 /nfs/dbraw/zinc/49/18/32/1027491832.db2.gz BKAPHEZFDYKESD-LJQANCHMSA-N 0 0 380.410 3.650 20 10 GHCDRN C[C@@H]1CCN(Cc2cc(Br)ccc2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC001203649710 1027505643 /nfs/dbraw/zinc/50/56/43/1027505643.db2.gz CEZOLDOJUNXABH-DOMZBBRYSA-N 0 0 399.329 3.890 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)[C@](C)(OC)C1CC1 ZINC000840417744 1027522203 /nfs/dbraw/zinc/52/22/03/1027522203.db2.gz QXULQNDKLMPUBD-XIKOKIGWSA-N 0 0 399.329 3.890 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)C1(OC)CCC1 ZINC000840453905 1027548379 /nfs/dbraw/zinc/54/83/79/1027548379.db2.gz MQOAPTCSUZRYOS-LBPRGKRZSA-N 0 0 385.302 3.644 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000840486002 1027570202 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394.468 3.643 20 10 GHCDRN Nc1ccc(NC(=O)C(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000841029288 1028055184 /nfs/dbraw/zinc/05/51/84/1028055184.db2.gz LYBNTGUNFLIYMM-QGZVFWFLSA-N 0 0 391.393 3.980 20 10 GHCDRN Nc1ccc(CCNC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1 ZINC000841080309 1028101435 /nfs/dbraw/zinc/10/14/35/1028101435.db2.gz OOLOQKQIPBJYBX-KRWDZBQOSA-N 0 0 389.883 3.844 20 10 GHCDRN NC(=O)Cc1cccc(C(=O)c2ccccc2)c1Nc1cc(F)c(O)c(F)c1 ZINC001213384535 1028152510 /nfs/dbraw/zinc/15/25/10/1028152510.db2.gz RGVDQBURWIXRGA-UHFFFAOYSA-N 0 0 382.366 3.673 20 10 GHCDRN Cc1cc(CC(=O)Nc2cccc(O[C@@H]3CC(=O)N3)c2)c(C)n1-c1ccccc1 ZINC001142119428 1028175109 /nfs/dbraw/zinc/17/51/09/1028175109.db2.gz REICAMBNSBYLFJ-HSZRJFAPSA-N 0 0 389.455 3.500 20 10 GHCDRN CC1(C)CC(C)(C)c2cc(NC(=O)C(=O)NCCc3ccc(N)cc3)ccc21 ZINC000841175682 1028247901 /nfs/dbraw/zinc/24/79/01/1028247901.db2.gz XBAJBRJSNZUONV-UHFFFAOYSA-N 0 0 379.504 3.525 20 10 GHCDRN O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1cc2cc(O)c(O)cc2s1 ZINC001142163859 1028278158 /nfs/dbraw/zinc/27/81/58/1028278158.db2.gz IVVJQCVAVJZQCJ-LBPRGKRZSA-N 0 0 386.448 3.708 20 10 GHCDRN CN(c1cn(S(=O)(=O)c2ccccc2)c2cnccc12)c1ccc(N)cc1 ZINC001213682937 1028327828 /nfs/dbraw/zinc/32/78/28/1028327828.db2.gz YTZRDXZSXWHCOF-UHFFFAOYSA-N 0 0 378.457 3.623 20 10 GHCDRN Cc1noc(C)c1CC(=O)Nc1ccc(NC(=O)Nc2ccc(N)cc2)cc1 ZINC001142204190 1028353670 /nfs/dbraw/zinc/35/36/70/1028353670.db2.gz JHOSGNYICVKBQS-UHFFFAOYSA-N 0 0 379.420 3.699 20 10 GHCDRN Nc1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)cc1 ZINC000841301551 1028392755 /nfs/dbraw/zinc/39/27/55/1028392755.db2.gz UEWYCDIRKGHIPQ-ZDUSSCGKSA-N 0 0 389.297 3.679 20 10 GHCDRN CCCN1C(=O)CCc2cc(NCc3ccc(N4CCOCC4)c(F)c3)ccc21 ZINC001461378395 1069524548 /nfs/dbraw/zinc/52/45/48/1069524548.db2.gz CIRCIJGMUQSUOK-UHFFFAOYSA-N 0 0 397.494 3.964 20 10 GHCDRN CCOc1ccc(CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1 ZINC000301748902 1028400808 /nfs/dbraw/zinc/40/08/08/1028400808.db2.gz LBIUPHVVYAZMDC-QHCPKHFHSA-N 0 0 396.531 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GHCDRN Cc1noc(CN(C)Cc2ccc(N3CCCCC3)c(Br)c2)n1 ZINC000848929717 1057429591 /nfs/dbraw/zinc/42/95/91/1057429591.db2.gz YZXHEUMUMWZFLL-UHFFFAOYSA-N 0 0 379.302 3.763 20 10 GHCDRN Cc1ccc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cc1N1CCOCC1 ZINC001356267080 1057453187 /nfs/dbraw/zinc/45/31/87/1057453187.db2.gz MBLHWUBLLRUJCX-UHFFFAOYSA-N 0 0 393.531 3.704 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccc(OC(C)C)c(C(C)=O)c3)CC2)cc1 ZINC000848970673 1057471147 /nfs/dbraw/zinc/47/11/47/1057471147.db2.gz OCQVLHPLQAQFEQ-UHFFFAOYSA-N 0 0 396.487 3.647 20 10 GHCDRN O=C(Nc1c2nonc2ccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001326697382 1057537246 /nfs/dbraw/zinc/53/72/46/1057537246.db2.gz DAIAGBAOKGGXLC-UHFFFAOYSA-N 0 0 387.783 3.637 20 10 GHCDRN COCCn1cc(-c2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)c(C)n1 ZINC001326932822 1057574829 /nfs/dbraw/zinc/57/48/29/1057574829.db2.gz TWPZFGGEBGTIOS-UHFFFAOYSA-N 0 0 377.448 3.962 20 10 GHCDRN Cn1c(C2SC(c3ccccc3)=CC2=O)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001338218468 1058458624 /nfs/dbraw/zinc/45/86/24/1058458624.db2.gz FSENLMNPXFXRKC-HXUWFJFHSA-N 0 0 382.489 3.533 20 10 GHCDRN Cc1ccc(CNC(=O)c2ccccc2NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001440865877 1058639705 /nfs/dbraw/zinc/63/97/05/1058639705.db2.gz HYEZFKRUGFZBIK-UHFFFAOYSA-N 0 0 390.439 3.517 20 10 GHCDRN O=C(NCC1(c2ccccc2)CCOCC1)c1cc2cc(O)c(O)cc2s1 ZINC001441297089 1058742882 /nfs/dbraw/zinc/74/28/82/1058742882.db2.gz QWJNNFXLVFYVST-UHFFFAOYSA-N 0 0 383.469 3.791 20 10 GHCDRN Cn1nc(-c2ccco2)cc1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001339241497 1059034149 /nfs/dbraw/zinc/03/41/49/1059034149.db2.gz KHJGIXCDRQCMPR-UHFFFAOYSA-N 0 0 397.504 3.555 20 10 GHCDRN COc1ccc(Br)c(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001443031455 1059048822 /nfs/dbraw/zinc/04/88/22/1059048822.db2.gz TYZHLPBNSDWEKR-UHFFFAOYSA-N 0 0 377.198 3.872 20 10 GHCDRN C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)Sc1ccc(Br)cc1 ZINC001443530845 1059143543 /nfs/dbraw/zinc/14/35/43/1059143543.db2.gz JWLCHDOMQPLSEP-LLVKDONJSA-N 0 0 396.306 3.700 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](O)Cc2ccccc2Cl)cc1F ZINC001443770078 1059199782 /nfs/dbraw/zinc/19/97/82/1059199782.db2.gz JYXPXXHXEIMHOW-IBGZPJMESA-N 0 0 378.875 3.545 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@@]2(C(=O)OC)C[C@@H]2c2ccccc2)cc1F ZINC001443774132 1059200768 /nfs/dbraw/zinc/20/07/68/1059200768.db2.gz RUUCDGMYASFIHL-WZONZLPQSA-N 0 0 398.478 3.635 20 10 GHCDRN CCO[C@H]1C[C@@H](NC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)C12CCC2 ZINC001444273611 1059297238 /nfs/dbraw/zinc/29/72/38/1059297238.db2.gz AXSQZPRGYICIKS-RTWAWAEBSA-N 0 0 380.488 3.984 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCCNc1ccccn1 ZINC001444668703 1059359408 /nfs/dbraw/zinc/35/94/08/1059359408.db2.gz ZBRIYJSCSJNTJO-UHFFFAOYSA-N 0 0 376.460 3.534 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1 ZINC001444697301 1059365433 /nfs/dbraw/zinc/36/54/33/1059365433.db2.gz HUDQHUQNHXFYDO-OAQYLSRUSA-N 0 0 399.878 3.715 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC001444911219 1059412324 /nfs/dbraw/zinc/41/23/24/1059412324.db2.gz YNNLHTROUIYGCV-YOMUGFJLSA-N 0 0 393.531 3.957 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001445902323 1059650807 /nfs/dbraw/zinc/65/08/07/1059650807.db2.gz PJRVHHYQIJBBMK-QFIPXVFZSA-N 0 0 388.508 3.677 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)CCOc3cc(C)cc(C)c3)CC2)cc1 ZINC001446416809 1059773772 /nfs/dbraw/zinc/77/37/72/1059773772.db2.gz RYWWPAKFSCGXJX-UHFFFAOYSA-N 0 0 382.504 3.820 20 10 GHCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cn1ncc2cccnc21 ZINC001446798183 1059861504 /nfs/dbraw/zinc/86/15/04/1059861504.db2.gz DMUWQKFCMABPJM-QGZVFWFLSA-N 0 0 386.455 3.927 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3c3c(F)cccc3F)CC2)cc1 ZINC001340945437 1060273581 /nfs/dbraw/zinc/27/35/81/1060273581.db2.gz NCLKTUHXDBNVHW-ROUUACIJSA-N 0 0 386.442 3.816 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H](c2cccc(Br)c2)C1 ZINC001449878275 1060474208 /nfs/dbraw/zinc/47/42/08/1060474208.db2.gz LPBCWRCTFIAZNT-PKYBCLHXSA-N 0 0 388.261 3.890 20 10 GHCDRN Cn1c(C2SC(c3ccccc3)=CC2=O)nnc1N1CC[C@@H]2OCC[C@@H]2C1 ZINC001341377047 1060626341 /nfs/dbraw/zinc/62/63/41/1060626341.db2.gz PTPXCGJFAXIGHC-ZBFHGGJFSA-N 0 0 382.489 3.531 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001451664668 1060811601 /nfs/dbraw/zinc/81/16/01/1060811601.db2.gz FVEZLHACWIYYDD-CQSZACIVSA-N 0 0 389.883 3.913 20 10 GHCDRN O=C(NCc1ccc(O)cc1O)c1cc2ccccc2cc1NC(=O)C1CC1 ZINC001451767329 1060831770 /nfs/dbraw/zinc/83/17/70/1060831770.db2.gz MMXTZEHYXDPHBW-UHFFFAOYSA-N 0 0 376.412 3.530 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc2ccc(F)cc2s1 ZINC001451904774 1060860128 /nfs/dbraw/zinc/86/01/28/1060860128.db2.gz PONGVDPXVTULRP-UHFFFAOYSA-N 0 0 387.432 3.952 20 10 GHCDRN O=C(NCc1ccc2cccnc2c1O)c1cccnc1SC(F)(F)F ZINC001451946535 1060873324 /nfs/dbraw/zinc/87/33/24/1060873324.db2.gz DBBQUMLPYOTDMD-UHFFFAOYSA-N 0 0 379.363 3.877 20 10 GHCDRN CC[C@H](O)[C@H]1CCCCN1C(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001452595289 1060968416 /nfs/dbraw/zinc/96/84/16/1060968416.db2.gz GBGDLTIQPXJGOM-YADHBBJMSA-N 0 0 384.520 3.681 20 10 GHCDRN COC(=O)[C@H](Cc1ccccc1)NC(=O)c1sccc1-n1c(C)ccc1C ZINC001452691973 1060987452 /nfs/dbraw/zinc/98/74/52/1060987452.db2.gz IVDHQPFBVRMOSK-KRWDZBQOSA-N 0 0 382.485 3.670 20 10 GHCDRN CCOC[C@@H]1CCN(c2nnc(C3SC=CC3=O)n2Cc2ccccc2)C1 ZINC001342181488 1061112017 /nfs/dbraw/zinc/11/20/17/1061112017.db2.gz BZSAYQZNHIKHJK-MRXNPFEDSA-N 0 0 384.505 3.623 20 10 GHCDRN Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(C)C ZINC001361097645 1061597312 /nfs/dbraw/zinc/59/73/12/1061597312.db2.gz GADPMLQXIIZIIC-LJQANCHMSA-N 0 0 385.556 3.687 20 10 GHCDRN Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H]1C ZINC001361098438 1061598180 /nfs/dbraw/zinc/59/81/80/1061598180.db2.gz UXGPLDDNZMLUAM-PXNSSMCTSA-N 0 0 383.540 3.931 20 10 GHCDRN COc1ccc(N2CCN(C(=O)CCc3ccc([C@@H]4C[C@H]4C)o3)CC2)c(OC)c1 ZINC001454480665 1061800650 /nfs/dbraw/zinc/80/06/50/1061800650.db2.gz ZZHPKEGHXPRGQX-VQIMIIECSA-N 0 0 398.503 3.702 20 10 GHCDRN Cc1nnc(N2CC(C)(C)OC[C@@H]2C)n1Cc1ccc(N2CCC(C)CC2)cc1 ZINC001492791640 1061929289 /nfs/dbraw/zinc/92/92/89/1061929289.db2.gz KBHPKTXZKZAVHQ-SFHVURJKSA-N 0 0 397.567 3.875 20 10 GHCDRN CCN(CC)c1ccc(CN(C)c2nnc(C(F)F)n2C[C@@H]2CCOC2)cc1 ZINC001346844630 1061933751 /nfs/dbraw/zinc/93/37/51/1061933751.db2.gz PTYXWTATMSEXEG-INIZCTEOSA-N 0 0 393.482 3.735 20 10 GHCDRN CCN(CC)c1ccc(CN(C)c2nnc(C(F)F)n2C[C@H]2CCOC2)cc1 ZINC001346844631 1061934048 /nfs/dbraw/zinc/93/40/48/1061934048.db2.gz PTYXWTATMSEXEG-MRXNPFEDSA-N 0 0 393.482 3.735 20 10 GHCDRN CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1Cc2cccc(O)c2C1 ZINC001455037430 1061984960 /nfs/dbraw/zinc/98/49/60/1061984960.db2.gz RHNBMEHAQKEZSN-LJQANCHMSA-N 0 0 382.460 3.576 20 10 GHCDRN CN(Cc1cccc(F)c1)c1nnc(C2SC=CC2=O)n1C[C@@H]1CCOC1 ZINC001346931198 1061988394 /nfs/dbraw/zinc/98/83/94/1061988394.db2.gz QJJJUTVMVWGXQI-AWEZNQCLSA-N 0 0 388.468 3.524 20 10 GHCDRN O=C(NCc1cccc(Cl)c1O)N[C@H]1C[C@@]2(CCOC2)Oc2ccccc21 ZINC001346970991 1062018994 /nfs/dbraw/zinc/01/89/94/1062018994.db2.gz NMTMOJUPKSBEFV-OXJNMPFZSA-N 0 0 388.851 3.528 20 10 GHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cccc3c2OCC3)cc1 ZINC001435072285 1062271193 /nfs/dbraw/zinc/27/11/93/1062271193.db2.gz AHMIPOCHPVBJCY-UHFFFAOYSA-N 0 0 378.394 3.892 20 10 GHCDRN CCN(CC)c1nc2sc(C(=O)NCc3c(O)cccc3F)cc2s1 ZINC001456093861 1062479855 /nfs/dbraw/zinc/47/98/55/1062479855.db2.gz OQHAOSPFBAQATA-UHFFFAOYSA-N 0 0 379.482 3.979 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)N2CCN(CC3CC3)c3ccccc32)C1 ZINC001435352210 1062534071 /nfs/dbraw/zinc/53/40/71/1062534071.db2.gz MCKJVVGBZCXTNB-SFHVURJKSA-N 0 0 397.519 3.863 20 10 GHCDRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NCc1c(O)cccc1O ZINC001456237246 1062569465 /nfs/dbraw/zinc/56/94/65/1062569465.db2.gz UVPQPMQPCNEHOQ-UHFFFAOYSA-N 0 0 376.384 3.738 20 10 GHCDRN CC(=O)N(c1ccc(NCc2ccc(N3CCN(C)CC3)c(F)c2)cc1)C1CC1 ZINC001347702749 1062582238 /nfs/dbraw/zinc/58/22/38/1062582238.db2.gz WFGFVBWRUNOMBP-UHFFFAOYSA-N 0 0 396.510 3.705 20 10 GHCDRN CCO[C@@H](CCNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C(C)C ZINC001435413382 1062585122 /nfs/dbraw/zinc/58/51/22/1062585122.db2.gz JMXZKFRLNYOZAT-QHCPKHFHSA-N 0 0 399.579 3.975 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC001349106764 1063549447 /nfs/dbraw/zinc/54/94/47/1063549447.db2.gz RGEAOEHUTHMMOZ-UHFFFAOYSA-N 0 0 390.487 3.527 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)Cc2ccc(-n3cccc3)cc2)cc1 ZINC001437384263 1063840987 /nfs/dbraw/zinc/84/09/87/1063840987.db2.gz KDVJWMFAYZSRNY-UHFFFAOYSA-N 0 0 377.488 3.623 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3ccc4cc[nH]c4c3)CC2)c(OC)c1 ZINC001349676358 1063861078 /nfs/dbraw/zinc/86/10/78/1063861078.db2.gz NTTLNIAUURDGKU-UHFFFAOYSA-N 0 0 380.448 3.539 20 10 GHCDRN COC(=O)CN(C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C)C(C)C ZINC001349768745 1063906480 /nfs/dbraw/zinc/90/64/80/1063906480.db2.gz ZCLKNLLIKUQHKN-UHFFFAOYSA-N 0 0 376.884 3.700 20 10 GHCDRN Cc1cccnc1SCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001459105277 1063998953 /nfs/dbraw/zinc/99/89/53/1063998953.db2.gz JMNIZLQZZQIDGM-UHFFFAOYSA-N 0 0 388.448 3.896 20 10 GHCDRN Cc1cc(CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c(C)n1-c1ccccc1 ZINC001438299543 1064026247 /nfs/dbraw/zinc/02/62/47/1064026247.db2.gz GHZOJCIOCHFHEL-LJQANCHMSA-N 0 0 379.504 3.501 20 10 GHCDRN Cc1cc(CSCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)no1 ZINC001459287871 1064047133 /nfs/dbraw/zinc/04/71/33/1064047133.db2.gz JIMODMAIJFSQNE-UHFFFAOYSA-N 0 0 392.436 3.630 20 10 GHCDRN COc1ccc(N2CCN(C[C@H](O)c3ccc(Cl)c(Cl)c3)CC2)cc1F ZINC001459748212 1064199005 /nfs/dbraw/zinc/19/90/05/1064199005.db2.gz MTFKPKXXNYSMNT-SFHVURJKSA-N 0 0 399.293 3.997 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)CCN(C)C(=O)OCc2ccccc2)cc1 ZINC001350864904 1064207560 /nfs/dbraw/zinc/20/75/60/1064207560.db2.gz RQQIDZDVWFJQKK-UHFFFAOYSA-N 0 0 397.519 3.808 20 10 GHCDRN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCC(F)F ZINC001350931992 1064221923 /nfs/dbraw/zinc/22/19/23/1064221923.db2.gz PQHDKYXRJQRMCB-LUAWRHEFSA-N 0 0 390.502 3.501 20 10 GHCDRN Cc1cc(CC(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)c(C)n1-c1ccccc1 ZINC001439372469 1064234089 /nfs/dbraw/zinc/23/40/89/1064234089.db2.gz IFYAOILKZFHJHS-SRBYMVNNSA-N 0 0 396.531 3.725 20 10 GHCDRN COC(=O)c1cc(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)cnc1C ZINC001463526258 1064435556 /nfs/dbraw/zinc/43/55/56/1064435556.db2.gz WKOGMPAUCNGLLQ-UHFFFAOYSA-N 0 0 377.444 3.765 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCCc4ccc(OC)cc43)C2)cc1 ZINC000847086748 1064676844 /nfs/dbraw/zinc/67/68/44/1064676844.db2.gz LBSRSSWAJHKHEY-VGSWGCGISA-N 0 0 394.515 3.766 20 10 GHCDRN CSc1cccc(-n2c(C)cc(C(=O)CN(C)Cc3nc(C)no3)c2C)c1 ZINC000847091195 1064689425 /nfs/dbraw/zinc/68/94/25/1064689425.db2.gz GDWNPVAFAATTNY-UHFFFAOYSA-N 0 0 384.505 3.822 20 10 GHCDRN CCn1cnnc1-c1ccccc1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001464212304 1064909869 /nfs/dbraw/zinc/90/98/69/1064909869.db2.gz CFSISOYYIUHZTD-UHFFFAOYSA-N 0 0 380.429 3.843 20 10 GHCDRN Cc1cc(CNS(=O)(=O)c2ccc(N)cc2F)c(C)n1-c1cccc(C)c1 ZINC001464237792 1064921595 /nfs/dbraw/zinc/92/15/95/1064921595.db2.gz XYOOPWNBSKJMJS-UHFFFAOYSA-N 0 0 387.480 3.602 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1cn2ccc(C)cc2n1 ZINC001464402983 1064990250 /nfs/dbraw/zinc/99/02/50/1064990250.db2.gz UEOOBKXTXJKOHR-UHFFFAOYSA-N 0 0 386.455 3.793 20 10 GHCDRN CN(c1ccc(CNC(=O)c2cc3c(cc2O)OCO3)cc1)C1CCCCC1 ZINC001464534606 1065067559 /nfs/dbraw/zinc/06/75/59/1065067559.db2.gz FKQSQKAIVNRSFF-UHFFFAOYSA-N 0 0 382.460 3.820 20 10 GHCDRN CCCCCNC(=S)N1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001200057063 1065092460 /nfs/dbraw/zinc/09/24/60/1065092460.db2.gz NWPXHKUNUHSDIG-UHFFFAOYSA-N 0 0 398.576 3.847 20 10 GHCDRN Cc1ccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c(C)c1 ZINC001464601490 1065105018 /nfs/dbraw/zinc/10/50/18/1065105018.db2.gz FFKYQJUFDLXPSG-QFIPXVFZSA-N 0 0 396.531 3.956 20 10 GHCDRN Cc1ccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c(C)c1 ZINC001464601475 1065105361 /nfs/dbraw/zinc/10/53/61/1065105361.db2.gz FFKYQJUFDLXPSG-JOCHJYFZSA-N 0 0 396.531 3.956 20 10 GHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@H](O)CCc2ccccc2)cc1 ZINC001300092030 1065249726 /nfs/dbraw/zinc/24/97/26/1065249726.db2.gz KRNSEKKTTGKOBV-IBGZPJMESA-N 0 0 394.437 3.637 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C)cc1F ZINC001465005954 1065321970 /nfs/dbraw/zinc/32/19/70/1065321970.db2.gz LLORAFBTEKRPEA-HNNXBMFYSA-N 0 0 395.519 3.791 20 10 GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C\Sc1ccccc1 ZINC001546152157 1065398237 /nfs/dbraw/zinc/39/82/37/1065398237.db2.gz VJGTYUNUWIZTFF-KTKRTIGZSA-N 0 0 391.876 3.853 20 10 GHCDRN Cc1cc(C(=O)N2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)c(C)n1-c1ccc(C(C)C)cc1 ZINC001300178574 1065576466 /nfs/dbraw/zinc/57/64/66/1065576466.db2.gz CAZVUEBYODGGHT-XYJFISCASA-N 0 0 381.520 3.955 20 10 GHCDRN COC(=O)CSCc1cccc(NC(=O)NCc2cc(Cl)ccc2O)c1 ZINC001465558575 1065713593 /nfs/dbraw/zinc/71/35/93/1065713593.db2.gz JYXLOVUSLBQEIQ-UHFFFAOYSA-N 0 0 394.880 3.774 20 10 GHCDRN CCc1nc2cc(NC(=O)N(C)CCN(C)c3ccc(OC)cc3)ccc2o1 ZINC001465678089 1065786094 /nfs/dbraw/zinc/78/60/94/1065786094.db2.gz QARCRDCDRLXRGR-UHFFFAOYSA-N 0 0 382.464 3.999 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(CCCO)Cc2ccccc2)c1 ZINC001465882732 1065908950 /nfs/dbraw/zinc/90/89/50/1065908950.db2.gz WYHKNJVGDRSYKK-UHFFFAOYSA-N 0 0 390.483 3.931 20 10 GHCDRN CC[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@@H](O)c1ccccc1F ZINC001465917907 1065921678 /nfs/dbraw/zinc/92/16/78/1065921678.db2.gz ISSQKOGUTSSUDU-ACJLOTCBSA-N 0 0 375.421 3.694 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)CSCc3ccc(F)cc3)CC2)cc1 ZINC001466208062 1066035769 /nfs/dbraw/zinc/03/57/69/1066035769.db2.gz CCTLUDRQNDQYQE-UHFFFAOYSA-N 0 0 388.508 3.806 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)[C@@H](CC)Oc3ccccc3C)CC2)cc1 ZINC001466209062 1066035834 /nfs/dbraw/zinc/03/58/34/1066035834.db2.gz UZUOBBSAVLXNLW-OAQYLSRUSA-N 0 0 382.504 3.900 20 10 GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCc1cc(C)cc(C)c1 ZINC001466398454 1066132216 /nfs/dbraw/zinc/13/22/16/1066132216.db2.gz NQHRUIZMQILFJY-UHFFFAOYSA-N 0 0 389.879 3.797 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cc(Br)nn1C ZINC001466706646 1066269096 /nfs/dbraw/zinc/26/90/96/1066269096.db2.gz DXBYCAOHGVETHN-UHFFFAOYSA-N 0 0 394.317 3.691 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(Cc2ccccc2)ccc1O ZINC001466790962 1066316983 /nfs/dbraw/zinc/31/69/83/1066316983.db2.gz NDGHYMGGPWFLGC-OAHLLOKOSA-N 0 0 377.440 3.755 20 10 GHCDRN O=C(NCc1cc(F)cnc1Cl)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001466894681 1066374027 /nfs/dbraw/zinc/37/40/27/1066374027.db2.gz AOGZIRCCZQTDDG-UHFFFAOYSA-N 0 0 396.813 3.906 20 10 GHCDRN CC(C)C[C@@H]1COCCN1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001466894605 1066374226 /nfs/dbraw/zinc/37/42/26/1066374226.db2.gz YFRMNKWIEXNSCB-MRXNPFEDSA-N 0 0 379.464 3.675 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc2[nH]c(C(N)=O)cc2c1 ZINC001467133193 1067091618 /nfs/dbraw/zinc/09/16/18/1067091618.db2.gz PRLQSUMWDUXSDR-UHFFFAOYSA-N 0 0 391.475 3.531 20 10 GHCDRN C[C@@H](Sc1ccc(F)cc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001357835128 1067296103 /nfs/dbraw/zinc/29/61/03/1067296103.db2.gz CUIHTDAQZBUSRC-CQSZACIVSA-N 0 0 392.471 3.598 20 10 GHCDRN O=C1C=CSC1c1nnc(N2CC[C@]3(CC3(F)F)C2)n1Cc1ccccc1 ZINC001357890975 1067321310 /nfs/dbraw/zinc/32/13/10/1067321310.db2.gz IMTJIPARUQBOJA-SFHVURJKSA-N 0 0 388.443 3.996 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@@H](C4CCC4)C3)cc2F)C[C@H](C)O1 ZINC001468095551 1067594167 /nfs/dbraw/zinc/59/41/67/1067594167.db2.gz BNPCUXMJRJMDGR-JTDSTZFVSA-N 0 0 389.515 3.771 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NCc3c(F)cc(C)cc3F)CC2)cc1 ZINC001477737257 1078548381 /nfs/dbraw/zinc/54/83/81/1078548381.db2.gz JRTVBICCEOAGDO-UHFFFAOYSA-N 0 0 389.446 3.750 20 10 GHCDRN Cc1cc(C(=O)N(C2CC2)C2COC2)c(C)n1-c1cccc(Br)c1 ZINC001468367736 1067705800 /nfs/dbraw/zinc/70/58/00/1067705800.db2.gz VNJNCNIVNDNQLO-UHFFFAOYSA-N 0 0 389.293 3.860 20 10 GHCDRN COc1cncc(/C=C2\SC(=S)N([C@H]3CCc4ccccc4C3)C2=O)c1 ZINC000849173613 1067752699 /nfs/dbraw/zinc/75/26/99/1067752699.db2.gz JPSVLRGDMXYXMS-RSFAQHHSSA-N 0 0 382.510 3.849 20 10 GHCDRN COc1cncc(/C=C2/SC(=S)N([C@H]3CCc4ccccc4C3)C2=O)c1 ZINC000849173615 1067752883 /nfs/dbraw/zinc/75/28/83/1067752883.db2.gz JPSVLRGDMXYXMS-ZJTXRKTBSA-N 0 0 382.510 3.849 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H](CO)C2CCCCC2)c1 ZINC001468505736 1067755097 /nfs/dbraw/zinc/75/50/97/1067755097.db2.gz PWFCOGOLMQKLKU-NRFANRHFSA-N 0 0 382.504 3.825 20 10 GHCDRN CCc1ccc([C@@H](O)CNC(=O)NCc2ccc(N(CC)CC)c(F)c2)cc1 ZINC001477846144 1078591375 /nfs/dbraw/zinc/59/13/75/1078591375.db2.gz CDWSYJNYUNMHDZ-NRFANRHFSA-N 0 0 387.499 3.767 20 10 GHCDRN CC[C@@H](c1ccccc1)N1CC(=O)N([C@@H]2CCN(c3ccc(OC)cc3)C2)C1=O ZINC000849356953 1067819969 /nfs/dbraw/zinc/81/99/69/1067819969.db2.gz IJYNTXQXQNZOEQ-CTNGQTDRSA-N 0 0 393.487 3.689 20 10 GHCDRN COc1cccc([C@H]2C(=O)N([C@H](C)Cc3ccc(N(C)C)cc3C)C(=O)N2C)c1 ZINC000849356273 1067820340 /nfs/dbraw/zinc/82/03/40/1067820340.db2.gz GVAUACKAEJTMPP-IERDGZPVSA-N 0 0 395.503 3.636 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)c1 ZINC001468684053 1067822701 /nfs/dbraw/zinc/82/27/01/1067822701.db2.gz AIJGYHKWUBCLEN-KSFYIVLOSA-N 0 0 376.456 3.759 20 10 GHCDRN CCN(C(=O)NCc1ccc(N(C)C)cc1C)[C@@H](COC)Cc1ccccc1 ZINC001477853732 1078595434 /nfs/dbraw/zinc/59/54/34/1078595434.db2.gz DECFPAAQJBKDKF-JOCHJYFZSA-N 0 0 383.536 3.850 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCOc1ccc(Cl)c(F)c1 ZINC001477853947 1078595453 /nfs/dbraw/zinc/59/54/53/1078595453.db2.gz FZCXNSNNTUUIPR-UHFFFAOYSA-N 0 0 379.863 3.732 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001477855477 1078595844 /nfs/dbraw/zinc/59/58/44/1078595844.db2.gz TVNIYHWODZRSKN-UHFFFAOYSA-N 0 0 391.418 3.724 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1c2ccccc2oc1CC ZINC001469229758 1068042529 /nfs/dbraw/zinc/04/25/29/1068042529.db2.gz BHMPKJRZBJKPDV-UHFFFAOYSA-N 0 0 381.428 3.906 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000762953457 1068062041 /nfs/dbraw/zinc/06/20/41/1068062041.db2.gz IQLPUUZPBUDIOP-UHFFFAOYSA-N 0 0 396.472 3.559 20 10 GHCDRN Cc1cc(C(=O)CN2CC[S@](=O)C[C@H](C)C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000763877723 1068087228 /nfs/dbraw/zinc/08/72/28/1068087228.db2.gz PMIGVOINOLSVRK-RXAIFQJESA-N 0 0 386.561 3.594 20 10 GHCDRN O=C(NCCCSc1nccs1)N1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC001469330316 1068107389 /nfs/dbraw/zinc/10/73/89/1068107389.db2.gz RWFDHMWEGPTBEP-CVEARBPZSA-N 0 0 377.535 3.533 20 10 GHCDRN CCOC(=O)CC[C@@H](C)NC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001469446181 1068166887 /nfs/dbraw/zinc/16/68/87/1068166887.db2.gz OKIOJAKAFXDONR-MRXNPFEDSA-N 0 0 385.508 3.934 20 10 GHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC001469610331 1068256321 /nfs/dbraw/zinc/25/63/21/1068256321.db2.gz AREIXOVESQIPCB-UXBLZVDNSA-N 0 0 394.393 3.768 20 10 GHCDRN CCc1ccc([C@@H](C)NC(=O)N2CCN(c3ccc(OC)cc3OC)CC2)cc1 ZINC001469668653 1068296837 /nfs/dbraw/zinc/29/68/37/1068296837.db2.gz CFVSZHMJUSXYRV-QGZVFWFLSA-N 0 0 397.519 3.859 20 10 GHCDRN COC[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)c1ccc(Cl)cc1 ZINC001470211836 1068627010 /nfs/dbraw/zinc/62/70/10/1068627010.db2.gz PNGLNJGXDGOIJY-CQSZACIVSA-N 0 0 383.275 3.928 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCCCC(F)(F)C3)C2)cc1 ZINC001470267344 1068655111 /nfs/dbraw/zinc/65/51/11/1068655111.db2.gz IZUUBUPQDYCZHT-CVEARBPZSA-N 0 0 381.467 3.789 20 10 GHCDRN COc1ccc(N(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC2CC2)cc1 ZINC001460129343 1068798715 /nfs/dbraw/zinc/79/87/15/1068798715.db2.gz LXAGANFKZGKWPX-JOCHJYFZSA-N 0 0 398.478 3.651 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCC(=O)OC1CCCCC1 ZINC001478515334 1078901422 /nfs/dbraw/zinc/90/14/22/1078901422.db2.gz DXCDOBXDFWCQTM-QGZVFWFLSA-N 0 0 389.540 3.557 20 10 GHCDRN COc1ccc2c(c1)CN(C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)CC2 ZINC001470555955 1072623454 /nfs/dbraw/zinc/62/34/54/1072623454.db2.gz JUMVIEQBQXWMIQ-QGZVFWFLSA-N 0 0 381.520 3.769 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N3CC([C@H]4CCC[C@H](C)C4)C3)C2)cc1 ZINC001470592266 1072638739 /nfs/dbraw/zinc/63/87/39/1072638739.db2.gz AYTYNDDUPOZCRR-OTWHNJEPSA-N 0 0 385.552 3.989 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2CCCCC(F)(F)C2)cc1 ZINC001478691265 1078957880 /nfs/dbraw/zinc/95/78/80/1078957880.db2.gz SJTMCFHFGQOZPR-MRXNPFEDSA-N 0 0 383.483 3.988 20 10 GHCDRN C[Si](C)(C)c1ccc(CCNC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001470832198 1072762280 /nfs/dbraw/zinc/76/22/80/1072762280.db2.gz AWTYEZKXNPNGJG-UHFFFAOYSA-N 0 0 376.960 3.633 20 10 GHCDRN CN(Cc1ccc(Br)cc1F)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001470900574 1072800463 /nfs/dbraw/zinc/80/04/63/1072800463.db2.gz ISHYSUJLYBWBDB-XVNBXDOJSA-N 0 0 380.213 3.671 20 10 GHCDRN Cc1cc(CCNC(=O)N2CC[C@H]([C@H]3CCCO3)C2)c(C)n1-c1ccccc1 ZINC001470969119 1072857376 /nfs/dbraw/zinc/85/73/76/1072857376.db2.gz QHQLYRSNESPARH-RBBKRZOGSA-N 0 0 381.520 3.847 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CCOCc3ccccc3)C2)cc1 ZINC001478770301 1078982319 /nfs/dbraw/zinc/98/23/19/1078982319.db2.gz BOBHSDCKOXJHIV-ICSRJNTNSA-N 0 0 397.519 3.569 20 10 GHCDRN CO[C@H]1CN(C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)[C@](C)(CO)C1 ZINC001471080617 1072914847 /nfs/dbraw/zinc/91/48/47/1072914847.db2.gz DBUNFHDFAWARFB-OFNKIYASSA-N 0 0 384.520 3.829 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N(C[C@H]3CCC[C@@H](C)C3)OC)C2)cc1 ZINC001478861383 1079005738 /nfs/dbraw/zinc/00/57/38/1079005738.db2.gz ZYEQSQVGCDLLNO-CEXWTWQISA-N 0 0 389.540 3.921 20 10 GHCDRN Cc1cc(CC(=O)N2CCO[C@@](C)(C(F)(F)F)C2)c(C)n1-c1ccccc1 ZINC001471273556 1072992983 /nfs/dbraw/zinc/99/29/83/1072992983.db2.gz RIPVYBQQFXUSIX-LJQANCHMSA-N 0 0 380.410 3.816 20 10 GHCDRN COC(=O)c1ncoc1CNC(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C ZINC001471481676 1073096518 /nfs/dbraw/zinc/09/65/18/1073096518.db2.gz WNSFYBPXBIFOCZ-UHFFFAOYSA-N 0 0 395.459 3.922 20 10 GHCDRN COc1ccc(CN(CCO)C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 ZINC001471526887 1073117079 /nfs/dbraw/zinc/11/70/79/1073117079.db2.gz QTOUMXMQSKWSED-UHFFFAOYSA-N 0 0 396.462 3.877 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)NC(C)(C)COCc3ccccc3)C2)cc1 ZINC001478958074 1079039400 /nfs/dbraw/zinc/03/94/00/1079039400.db2.gz WHDXDGFFPNHRSJ-LJQANCHMSA-N 0 0 397.519 3.569 20 10 GHCDRN COC(=O)c1cc(Oc2ccc(NC(=O)c3ccc(C)c(O)c3O)cc2)ccn1 ZINC001471893115 1073247567 /nfs/dbraw/zinc/24/75/67/1073247567.db2.gz YPXYXMHQVLIZDG-UHFFFAOYSA-N 0 0 394.383 3.632 20 10 GHCDRN O=C(NCc1c(O)cccc1O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2 ZINC001472063501 1073322204 /nfs/dbraw/zinc/32/22/04/1073322204.db2.gz LIMOBXZBESONRV-UHFFFAOYSA-N 0 0 395.434 3.757 20 10 GHCDRN O=C(Cn1c2ccccc2nc1C(F)(F)F)NCc1cccc(Cl)c1O ZINC001472316020 1073416675 /nfs/dbraw/zinc/41/66/75/1073416675.db2.gz IXIFIAUVDBWZGI-UHFFFAOYSA-N 0 0 383.757 3.731 20 10 GHCDRN O=C(NCc1cccc(Cl)c1O)c1cnn2c1nccc2-c1ccccc1 ZINC001472316363 1073417015 /nfs/dbraw/zinc/41/70/15/1073417015.db2.gz OKFZJRJVUFUTEW-UHFFFAOYSA-N 0 0 378.819 3.685 20 10 GHCDRN CN1C(=O)C[C@H](C(=O)NCc2cccc(Cl)c2O)[C@@H]1c1cccc(Cl)c1 ZINC001472316888 1073417940 /nfs/dbraw/zinc/41/79/40/1073417940.db2.gz LCAJXCPFUYBJKA-YOEHRIQHSA-N 0 0 393.270 3.535 20 10 GHCDRN CCCCOc1ccc([C@@H](C)NC(=O)c2c(F)ccc(O)c2O)cc1OC ZINC001472491779 1073510768 /nfs/dbraw/zinc/51/07/68/1073510768.db2.gz WSSYTCIZJZJRDW-GFCCVEGCSA-N 0 0 377.412 3.915 20 10 GHCDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC[C@H]1COC2(CCCC2)O1 ZINC001472743881 1073646645 /nfs/dbraw/zinc/64/66/45/1073646645.db2.gz YKMONVJLJBZSKC-KRWDZBQOSA-N 0 0 382.416 3.923 20 10 GHCDRN COC(=O)c1cc(OCc2cccc(C(=O)N3CCCCC3)c2)ccc1N(C)C ZINC001473077177 1073771422 /nfs/dbraw/zinc/77/14/22/1073771422.db2.gz KBSWAMFBIMBXEO-UHFFFAOYSA-N 0 0 396.487 3.744 20 10 GHCDRN CCN(CC(=O)NCCc1c(C)cc(C)cc1C)c1ccc(OC)c(OC)c1 ZINC001473269600 1073900103 /nfs/dbraw/zinc/90/01/03/1073900103.db2.gz QMYWZSCBOLUZBM-UHFFFAOYSA-N 0 0 384.520 3.814 20 10 GHCDRN CCOC(=O)[C@]1(F)CN(Cc2cc(Cl)cc(C(C)=O)c2O)CC12CCC2 ZINC001473634415 1074059850 /nfs/dbraw/zinc/05/98/50/1074059850.db2.gz KQBGWZHSDYRURA-LJQANCHMSA-N 0 0 383.847 3.506 20 10 GHCDRN CN(C)c1ccc([C@H](CNC(=O)NCCC2CCC(F)(F)CC2)[NH+](C)C)cc1 ZINC001479533001 1079224076 /nfs/dbraw/zinc/22/40/76/1079224076.db2.gz HIVXXBPKCQIBIQ-IBGZPJMESA-N 0 0 396.526 3.870 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNCc3ccn(-c4ccccc4)n3)cc2F)C[C@H](C)O1 ZINC001473940862 1074212807 /nfs/dbraw/zinc/21/28/07/1074212807.db2.gz QOSZGZNIUJJRPY-HDICACEKSA-N 0 0 394.494 3.915 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC001474099799 1074263233 /nfs/dbraw/zinc/26/32/33/1074263233.db2.gz HARQSLBDIXJSGZ-DYEKYZERSA-N 0 0 378.332 3.763 20 10 GHCDRN COC(=O)[C@H](C)CN(C(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1)C1CC1 ZINC001546231292 1079242896 /nfs/dbraw/zinc/24/28/96/1079242896.db2.gz UESJSFRNSCLEHD-OAHLLOKOSA-N 0 0 396.487 3.629 20 10 GHCDRN COc1ccc(CN2CCO[C@@H](c3ccc(F)cc3Cl)C2)c(O)c1OC ZINC001474452219 1074412902 /nfs/dbraw/zinc/41/29/02/1074412902.db2.gz KOQJAIUPEYNJRC-QGZVFWFLSA-N 0 0 381.831 3.775 20 10 GHCDRN COc1ccc(Cn2cc(C[NH2+]Cc3cc(Cl)cc(Cl)c3[O-])nn2)cc1 ZINC001474564621 1074465238 /nfs/dbraw/zinc/46/52/38/1074465238.db2.gz KXPWBGAHAUEZGO-UHFFFAOYSA-N 0 0 393.274 3.637 20 10 GHCDRN Cc1cc(O)c(CN2c3ccccc3C[C@@H]2CNC(=O)C(F)(F)F)cc1Cl ZINC001474588636 1074473415 /nfs/dbraw/zinc/47/34/15/1074473415.db2.gz NOMSKWWCMAJFNN-CQSZACIVSA-N 0 0 398.812 3.964 20 10 GHCDRN Cc1cccc([C@@H]2C(=O)NCCN2Cc2ccc(N(C)C)cc2C(F)(F)F)c1 ZINC001474620232 1074487540 /nfs/dbraw/zinc/48/75/40/1074487540.db2.gz FTHZQQQOSRNPDI-LJQANCHMSA-N 0 0 391.437 3.753 20 10 GHCDRN CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC001474744936 1074542919 /nfs/dbraw/zinc/54/29/19/1074542919.db2.gz MLAUFNWYXFEQNS-LBPRGKRZSA-N 0 0 376.831 3.780 20 10 GHCDRN CCC(F)(F)C(C)(C)CS(=O)(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001475404787 1074863270 /nfs/dbraw/zinc/86/32/70/1074863270.db2.gz WVWUSKIACLQEAM-HNNXBMFYSA-N 0 0 390.540 3.983 20 10 GHCDRN Cc1cc(CCNS(=O)(=O)c2cc(N)ccc2C)c(C)n1-c1ccccc1 ZINC001475549549 1074911377 /nfs/dbraw/zinc/91/13/77/1074911377.db2.gz LRZVUFHGJLFDMN-UHFFFAOYSA-N 0 0 383.517 3.506 20 10 GHCDRN Cc1cc(CNS(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC001475567373 1074916294 /nfs/dbraw/zinc/91/62/94/1074916294.db2.gz YFWIZYSFBPJJFW-IAGOWNOFSA-N 0 0 389.565 3.715 20 10 GHCDRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2O)c(Cl)c1Cl ZINC001475586282 1074921162 /nfs/dbraw/zinc/92/11/62/1074921162.db2.gz YYHYMKCENVMPLU-SECBINFHSA-N 0 0 376.261 3.747 20 10 GHCDRN COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC001621023140 1126245174 /nfs/dbraw/zinc/24/51/74/1126245174.db2.gz YIKOGVFCWLEPNH-LJQANCHMSA-N 0 0 394.309 3.555 20 10 GHCDRN CCc1cnc(NC(=O)c2cc(C)n(-c3ccc(-c4nn[nH]n4)cc3)c2C)s1 ZINC000821499250 599195093 /nfs/dbraw/zinc/19/50/93/599195093.db2.gz GHQIEPFTGCUAKB-UHFFFAOYSA-N 0 0 393.476 3.545 20 10 GHCDRN Cc1cc(C(=O)N2CCC3(CCCC3)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000822168457 599207443 /nfs/dbraw/zinc/20/74/43/599207443.db2.gz MZJXTHMXICYQHS-UHFFFAOYSA-N 0 0 390.491 3.681 20 10 GHCDRN CC1CCN(c2ccc(CNc3ncc(-c4nn[nH]n4)cc3Cl)cc2)CC1 ZINC000736280285 598503384 /nfs/dbraw/zinc/50/33/84/598503384.db2.gz PPMVNPXEKJVPND-UHFFFAOYSA-N 0 0 383.887 3.764 20 10 GHCDRN O=C([O-])[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(F)cc1 ZINC000739506320 600433635 /nfs/dbraw/zinc/43/36/35/600433635.db2.gz FKSZLSJMJOAERD-SFHVURJKSA-N 0 0 394.393 3.811 20 10 GHCDRN O=C([O-])C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)Cc1cc(Cl)ccc1O ZINC000833249197 604789800 /nfs/dbraw/zinc/78/98/00/604789800.db2.gz KSKICVFAGDMYJA-UHFFFAOYSA-N 0 0 385.203 3.694 20 10 GHCDRN Brc1cc(-c2nn[nH]n2)ccc1NCCCSc1nccs1 ZINC000823827186 607990359 /nfs/dbraw/zinc/99/03/59/607990359.db2.gz WDNYSIOMRAQJJF-UHFFFAOYSA-N 0 0 397.327 3.680 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccccc1O[C@H]1CCOC1 ZINC000177975862 837482631 /nfs/dbraw/zinc/48/26/31/837482631.db2.gz PPIJVPLPDZNIEO-IBGZPJMESA-N 0 0 381.476 3.776 20 10 GHCDRN COc1ccc(C(=O)CCCC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000173199464 837597265 /nfs/dbraw/zinc/59/72/65/837597265.db2.gz DJVWSGVCWJAARO-UHFFFAOYSA-N 0 0 382.460 3.540 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Cc3cc(Cl)ccc3Cl)CC2)cc1 ZINC001266268567 834651932 /nfs/dbraw/zinc/65/19/32/834651932.db2.gz KJTHAEXCNMWTJS-UHFFFAOYSA-N 0 0 379.287 3.893 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@](C)(Cc1ccccc1)[C@H](C)O ZINC000472295359 834762888 /nfs/dbraw/zinc/76/28/88/834762888.db2.gz RNOIPSRNQJFYJI-MHECFPHRSA-N 0 0 393.531 3.916 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCC(c4cn[nH]c4)CC3)ccc21 ZINC000377711780 837818932 /nfs/dbraw/zinc/81/89/32/837818932.db2.gz BVZQHJMKBKQIAM-UHFFFAOYSA-N 0 0 380.492 3.647 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)Cn3ccc4ccc(F)cc43)CC2)cc1 ZINC000843542179 834917575 /nfs/dbraw/zinc/91/75/75/834917575.db2.gz PXAAYSJATAAHDL-UHFFFAOYSA-N 0 0 381.451 3.574 20 10 GHCDRN COc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c(OCCC(C)C)c1 ZINC000784930783 835005164 /nfs/dbraw/zinc/00/51/64/835005164.db2.gz GOWBXYFQSQSOJQ-UHFFFAOYSA-N 0 0 388.416 3.571 20 10 GHCDRN C[C@H](NC(=O)NCc1cccc(Cl)c1O)c1cccc(N2CCOC2=O)c1 ZINC000892358954 835057588 /nfs/dbraw/zinc/05/75/88/835057588.db2.gz ICEIUHBCMYCAPA-LBPRGKRZSA-N 0 0 389.839 3.563 20 10 GHCDRN O=C1/C(=C/c2cc(O)ccc2Br)SC(=S)N1c1cccnc1 ZINC000178987148 835142976 /nfs/dbraw/zinc/14/29/76/835142976.db2.gz YZCNEPKWYLYLRO-QPEQYQDCSA-N 0 0 393.287 3.956 20 10 GHCDRN CCn1c(SCC(=O)N[C@@H](C)c2ccccc2O)nnc1-c1cccc(C)c1 ZINC000827982249 835331105 /nfs/dbraw/zinc/33/11/05/835331105.db2.gz PMVZAFVJOTYTPY-HNNXBMFYSA-N 0 0 396.516 3.949 20 10 GHCDRN CCC(CC)[C@@H](O)CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255725934 835675424 /nfs/dbraw/zinc/67/54/24/835675424.db2.gz QGCMKWXYZVTQNF-IBGZPJMESA-N 0 0 382.464 3.954 20 10 GHCDRN CC[C@@H](Nc1ccc(OC)c(OCC(=O)NC2CC2)c1)c1ccc(C)cc1O ZINC000279952111 844077139 /nfs/dbraw/zinc/07/71/39/844077139.db2.gz BTXTVIBRXLLCPG-GOSISDBHSA-N 0 0 384.476 3.930 20 10 GHCDRN C[C@@H](NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1nnnn1C1CC1 ZINC000588588156 835684642 /nfs/dbraw/zinc/68/46/42/835684642.db2.gz SKCGOCOAJQGDAH-CQSZACIVSA-N 0 0 390.451 3.713 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000052851302 835721468 /nfs/dbraw/zinc/72/14/68/835721468.db2.gz CNJSGTWOLBFKFX-JOCHJYFZSA-N 0 0 382.504 3.973 20 10 GHCDRN C[C@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1)c1ccccc1O ZINC000827982006 835750103 /nfs/dbraw/zinc/75/01/03/835750103.db2.gz KRQWMYDGGCIMHQ-GJZGRUSLSA-N 0 0 385.439 3.653 20 10 GHCDRN CN1CCCc2cc(CNC(=O)c3csc(-c4ccc(O)cc4)n3)ccc21 ZINC000728605343 835758079 /nfs/dbraw/zinc/75/80/79/835758079.db2.gz YTIQYBXNODXWAQ-UHFFFAOYSA-N 0 0 379.485 3.828 20 10 GHCDRN Cc1ccc(/C=C\CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000255770014 835781415 /nfs/dbraw/zinc/78/14/15/835781415.db2.gz IVRDTAKVUCTARM-IHWYPQMZSA-N 0 0 378.516 3.923 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000179705114 835951901 /nfs/dbraw/zinc/95/19/01/835951901.db2.gz CDJZJKQZCWENHW-SFHVURJKSA-N 0 0 379.287 3.943 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000176835336 835978408 /nfs/dbraw/zinc/97/84/08/835978408.db2.gz VGEAAEKOGDWDCN-WOJBJXKFSA-N 0 0 385.508 3.924 20 10 GHCDRN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471222438 835979932 /nfs/dbraw/zinc/97/99/32/835979932.db2.gz GQMFJMOZBLFOOG-MJGOQNOKSA-N 0 0 378.472 3.924 20 10 GHCDRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000782599569 835984367 /nfs/dbraw/zinc/98/43/67/835984367.db2.gz SXIIKLCDTBWUGU-UHFFFAOYSA-N 0 0 387.388 3.709 20 10 GHCDRN O=C(/C=C\Sc1ccccc1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000255037216 836081363 /nfs/dbraw/zinc/08/13/63/836081363.db2.gz YFQJIVCPPAAKCK-QINSGFPZSA-N 0 0 382.529 3.818 20 10 GHCDRN COc1cc2cc(C(=O)NCc3c(C)c4ccccc4n3C)[nH]c2cc1OC ZINC000473271548 844125295 /nfs/dbraw/zinc/12/52/95/844125295.db2.gz KJFPEIIWHZALIL-UHFFFAOYSA-N 0 0 377.444 3.915 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3cnc(-c4ccco4)s3)CC2)cc1F ZINC000177279689 836241067 /nfs/dbraw/zinc/24/10/67/836241067.db2.gz SELGXORHKHHHDI-UHFFFAOYSA-N 0 0 387.436 3.513 20 10 GHCDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000120765223 836301276 /nfs/dbraw/zinc/30/12/76/836301276.db2.gz BEEOBCICZUTULR-DLENHJPASA-N 0 0 382.416 3.521 20 10 GHCDRN COCCOc1ccc(NC(=O)NCc2c(C)c3ccccc3n2C)cc1F ZINC000471246718 836331920 /nfs/dbraw/zinc/33/19/20/836331920.db2.gz XROUIEXHZPCMOE-UHFFFAOYSA-N 0 0 385.439 3.973 20 10 GHCDRN O=C(c1cc(=O)c2ccccc2o1)N(Cc1ccco1)Cc1ccccc1O ZINC000120815227 836586972 /nfs/dbraw/zinc/58/69/72/836586972.db2.gz DMLBUPBGGSOIPK-UHFFFAOYSA-N 0 0 375.380 3.934 20 10 GHCDRN CCOc1ccc(OCC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000120819872 836594966 /nfs/dbraw/zinc/59/49/66/836594966.db2.gz JWNOMNRMVCGFBI-UHFFFAOYSA-N 0 0 381.428 3.992 20 10 GHCDRN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ncc(Br)cc1F ZINC000275393142 836972520 /nfs/dbraw/zinc/97/25/20/836972520.db2.gz YXOGDPKUYQDGOS-ZDUSSCGKSA-N 0 0 394.288 3.671 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3ccccc3-n3ccc(C)n3)CC2)cc1 ZINC000177695688 837016308 /nfs/dbraw/zinc/01/63/08/837016308.db2.gz MFFLMFKWPOOPGO-UHFFFAOYSA-N 0 0 391.475 3.543 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C(=O)OC)c3ccccc3)ccc21 ZINC000728637515 837184390 /nfs/dbraw/zinc/18/43/90/837184390.db2.gz MXBUSCJWAPDRPK-NRFANRHFSA-N 0 0 395.455 3.976 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)OCc3ccoc3C(=O)OC)ccc21 ZINC000728638141 837194841 /nfs/dbraw/zinc/19/48/41/837194841.db2.gz WIHXPBURRRYOLD-UHFFFAOYSA-N 0 0 385.416 3.641 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2C=C[C@H](CO)C2)c(C)n1-c1ccc(Br)cc1 ZINC000177828985 837271872 /nfs/dbraw/zinc/27/18/72/837271872.db2.gz VADTZGAGXHQWGQ-GOEBONIOSA-N 0 0 389.293 3.523 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)OCc3nc(C(C)(C)C)no3)ccc21 ZINC000728639694 837294252 /nfs/dbraw/zinc/29/42/52/837294252.db2.gz SNGTUVPDOMWBSA-UHFFFAOYSA-N 0 0 385.464 3.942 20 10 GHCDRN COc1ccc(CN[C@@H](c2nccn2C)c2ccc(Cl)cc2)c(O)c1OC ZINC000892526059 837307257 /nfs/dbraw/zinc/30/72/57/837307257.db2.gz AZHUOBVROOOITI-QGZVFWFLSA-N 0 0 387.867 3.676 20 10 GHCDRN COc1ccccc1[C@@H](C)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000049779045 837358151 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CCCC[C@H](C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)C(C)C ZINC000857176621 882087649 /nfs/dbraw/zinc/08/76/49/882087649.db2.gz BAMUFUSEVIXSHJ-SFHVURJKSA-N 0 0 392.540 3.823 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)COCC(F)(F)F)cc1 ZINC000742759923 867532543 /nfs/dbraw/zinc/53/25/43/867532543.db2.gz GBWABKFOWYDJON-CQSZACIVSA-N 0 0 375.435 3.642 20 10 GHCDRN CC/C=C(/C)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000742751529 867548153 /nfs/dbraw/zinc/54/81/53/867548153.db2.gz VBDLWYVQZLZQEP-IDGGIGOKSA-N 0 0 375.513 3.791 20 10 GHCDRN COc1ccc(F)cc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000742800709 867565020 /nfs/dbraw/zinc/56/50/20/867565020.db2.gz LDIOIZOVNVZVKA-CQSZACIVSA-N 0 0 394.393 3.835 20 10 GHCDRN O=C(CCCc1ccccn1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000742800930 867565307 /nfs/dbraw/zinc/56/53/07/867565307.db2.gz NBUFHTBEWAODKL-KRWDZBQOSA-N 0 0 389.446 3.791 20 10 GHCDRN COc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000742806949 867590727 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COC(=O)COc1ccc(N(C)Cc2cc(=O)oc3c(C)c(C)ccc23)cc1 ZINC000183806792 867998091 /nfs/dbraw/zinc/99/80/91/867998091.db2.gz NMRINISSVUQGBW-UHFFFAOYSA-N 0 0 381.428 3.598 20 10 GHCDRN O=S(=O)(Nc1cccc(N2CCCC2)c1)c1ccc(F)c(Br)c1 ZINC000743248833 868014485 /nfs/dbraw/zinc/01/44/85/868014485.db2.gz QCLYUUJOXVCMTA-UHFFFAOYSA-N 0 0 399.285 3.989 20 10 GHCDRN CC[C@H](C)NC(=O)CCNC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000743341304 868072474 /nfs/dbraw/zinc/07/24/74/868072474.db2.gz KCBUDTINPVKSDW-KRWDZBQOSA-N 0 0 388.556 3.560 20 10 GHCDRN CC(C)COCCCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743526356 868246204 /nfs/dbraw/zinc/24/62/04/868246204.db2.gz MGNQCOOXAIMOQY-MRXNPFEDSA-N 0 0 399.482 3.619 20 10 GHCDRN O=C(NCc1cn2cc(Cl)ccc2n1)NCc1c(O)ccc2c1CCCC2 ZINC000743546830 868255611 /nfs/dbraw/zinc/25/56/11/868255611.db2.gz QLQVMDOESQYQHM-UHFFFAOYSA-N 0 0 384.867 3.572 20 10 GHCDRN CCSCC[C@H](C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000743555488 868260772 /nfs/dbraw/zinc/26/07/72/868260772.db2.gz 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Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000744069154 868567542 /nfs/dbraw/zinc/56/75/42/868567542.db2.gz KRHNQEBHHMGMHC-GOSISDBHSA-N 0 0 393.512 3.687 20 10 GHCDRN Cc1c(Br)cccc1CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000479872023 868635677 /nfs/dbraw/zinc/63/56/77/868635677.db2.gz KKLGNVGEQUBZJD-UHFFFAOYSA-N 0 0 389.293 3.792 20 10 GHCDRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)NCc2ccccc2O)cc1 ZINC000763640699 868732761 /nfs/dbraw/zinc/73/27/61/868732761.db2.gz WLPQAOGTLYRPIL-HNNXBMFYSA-N 0 0 399.491 3.977 20 10 GHCDRN C[C@@H](CCOc1ccccc1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000744480133 868874961 /nfs/dbraw/zinc/87/49/61/868874961.db2.gz VKUZYMUUISQUQK-OALUTQOASA-N 0 0 382.504 3.806 20 10 GHCDRN CCSCCCc1noc(-c2ccc(NC(=O)C3=S=CC=C3)c(C)c2)n1 ZINC000445749984 868931246 /nfs/dbraw/zinc/93/12/46/868931246.db2.gz NHTLQJCNGPJZCG-UHFFFAOYSA-N 0 0 387.530 3.947 20 10 GHCDRN Cc1cc(NC(=O)COC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)no1 ZINC000920662525 882269901 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20 10 GHCDRN CCCOc1cn(-c2ccccc2)nc1C(=O)NCc1cc(Cl)ccc1O ZINC000857547866 882329487 /nfs/dbraw/zinc/32/94/87/882329487.db2.gz XZFHSYRLEPDUBC-UHFFFAOYSA-N 0 0 385.851 3.950 20 10 GHCDRN CC(C)(C)OC(=O)NCCNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000745790357 869812214 /nfs/dbraw/zinc/81/22/14/869812214.db2.gz JVBVOISMTVWYHJ-UHFFFAOYSA-N 0 0 391.512 3.761 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000745825487 869848290 /nfs/dbraw/zinc/84/82/90/869848290.db2.gz JKWSNQUSYICFRN-GOSISDBHSA-N 0 0 379.504 3.739 20 10 GHCDRN CCO[C@@H](C)c1nc(CN(C)C(=O)NCc2ccc(N(C)C)cc2C)cs1 ZINC000745826823 869849394 /nfs/dbraw/zinc/84/93/94/869849394.db2.gz BJKUQENMFTYMGP-HNNXBMFYSA-N 0 0 390.553 3.957 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000745828698 869850467 /nfs/dbraw/zinc/85/04/67/869850467.db2.gz SGSCCWFLAXKAEZ-KRWDZBQOSA-N 0 0 377.492 3.807 20 10 GHCDRN CC1(C)[C@@H]2CN(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)C[C@@H]21 ZINC000745905657 869883704 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Cc1cc(C(=O)N2CCC(=O)[C@H](C)C2)c(C)n1-c1ccccc1Br ZINC000793869658 882474003 /nfs/dbraw/zinc/47/40/03/882474003.db2.gz KOELZCBBCQEUJE-GFCCVEGCSA-N 0 0 389.293 3.908 20 10 GHCDRN Cc1cc(C(=O)N2CCC(=O)[C@@H](C)C2)c(C)n1-c1ccc(Br)cc1 ZINC000793869694 882475381 /nfs/dbraw/zinc/47/53/81/882475381.db2.gz LTTPYGXWQYTFLI-LBPRGKRZSA-N 0 0 389.293 3.908 20 10 GHCDRN Cc1cc(C(=O)N2CCC(=O)[C@H](C)C2)c(C)n1-c1ccc(Br)cc1 ZINC000793869693 882475503 /nfs/dbraw/zinc/47/55/03/882475503.db2.gz LTTPYGXWQYTFLI-GFCCVEGCSA-N 0 0 389.293 3.908 20 10 GHCDRN COc1ccc(N2CCOC[C@@]3(CCCN(C(=O)OC4CCCC4)C3)C2)cc1 ZINC001193541131 871140090 /nfs/dbraw/zinc/14/00/90/871140090.db2.gz QVMXXPLAPMHKKG-QFIPXVFZSA-N 0 0 388.508 3.693 20 10 GHCDRN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000174664064 882492485 /nfs/dbraw/zinc/49/24/85/882492485.db2.gz KSJHABGHUBTGIV-OAHLLOKOSA-N 0 0 382.439 3.563 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1cccc(-n2cncn2)c1 ZINC001193911064 871390670 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COc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1OC ZINC000103413733 871910563 /nfs/dbraw/zinc/91/05/63/871910563.db2.gz XBTISFQGDRDEJR-UHFFFAOYSA-N 0 0 396.409 3.975 20 10 GHCDRN CCOc1cccc(CN2CCc3c(ncn3CCc3ccccc3)C2)c1O ZINC000182143268 871915658 /nfs/dbraw/zinc/91/56/58/871915658.db2.gz HWKOMBSCZVYAQG-UHFFFAOYSA-N 0 0 377.488 3.788 20 10 GHCDRN CCOc1cc(CN(CC)c2ccc(OC)cc2)nc2nc(C(F)(F)F)nn21 ZINC000766864611 871953478 /nfs/dbraw/zinc/95/34/78/871953478.db2.gz WKARQAPODKCUPR-UHFFFAOYSA-N 0 0 395.385 3.577 20 10 GHCDRN CC(=O)N(C)C1CCN(CC(=O)c2cc(C)n(-c3ccccc3C)c2C)CC1 ZINC000103470166 872027006 /nfs/dbraw/zinc/02/70/06/872027006.db2.gz BZPANMCGUUZZJR-UHFFFAOYSA-N 0 0 381.520 3.528 20 10 GHCDRN Cc1cc(C(=O)NC(C)(C)c2noc(CN(C)C)n2)c(C)n1-c1ccccc1C ZINC000101531457 872067963 /nfs/dbraw/zinc/06/79/63/872067963.db2.gz VWIFKBKJNXKWQM-UHFFFAOYSA-N 0 0 395.507 3.512 20 10 GHCDRN CCO[C@@H]1CCC[N@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000775633886 872150807 /nfs/dbraw/zinc/15/08/07/872150807.db2.gz MSAXSCKSWIMQJP-GFCCVEGCSA-N 0 0 393.119 3.918 20 10 GHCDRN Nc1ccc(NC(=O)Nc2ccc(NC(=O)c3cc(O)cnc3Cl)cc2)cc1 ZINC001195305264 872326100 /nfs/dbraw/zinc/32/61/00/872326100.db2.gz CXVMDPFLMNYXMU-UHFFFAOYSA-N 0 0 397.822 3.919 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000526935191 872336000 /nfs/dbraw/zinc/33/60/00/872336000.db2.gz XHMVVNLVJRBNSK-LBPRGKRZSA-N 0 0 390.409 3.650 20 10 GHCDRN Cc1ccc(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)c(O)c1O ZINC000182455116 872375868 /nfs/dbraw/zinc/37/58/68/872375868.db2.gz ZUFAYLZKAYTOPZ-HHHXNRCGSA-N 0 0 381.453 3.966 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)NC[C@@]3(C)CCO[C@H]3C3CC3)cc2)CC1 ZINC000767317562 872419434 /nfs/dbraw/zinc/41/94/34/872419434.db2.gz AGMDFZRYZUZVIJ-JTHBVZDNSA-N 0 0 385.552 3.927 20 10 GHCDRN Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCc1ccc(O)c(O)c1 ZINC000182532566 872494165 /nfs/dbraw/zinc/49/41/65/872494165.db2.gz FLRYSPBXOUDEDT-UHFFFAOYSA-N 0 0 388.420 3.511 20 10 GHCDRN C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N(C)c1ccsc1 ZINC001195669122 872576158 /nfs/dbraw/zinc/57/61/58/872576158.db2.gz FIDFMWHBZNHNKY-CYBMUJFWSA-N 0 0 390.464 3.987 20 10 GHCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)c1cccnc1OC(F)F ZINC001195725996 872578159 /nfs/dbraw/zinc/57/81/59/872578159.db2.gz PDJVLNZFHJHCEZ-BQXUTPHYSA-N 0 0 384.346 3.650 20 10 GHCDRN Cc1ccc(C(=O)N(Cc2ccccc2)C[C@H](O)c2cccs2)c(O)c1O ZINC000182590730 872587052 /nfs/dbraw/zinc/58/70/52/872587052.db2.gz XICWDTRVUDLTQV-KRWDZBQOSA-N 0 0 383.469 3.844 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)N[C@@H]3CCO[C@H](C(C)(C)C)C3)CC2)cc1 ZINC000763570123 872615174 /nfs/dbraw/zinc/61/51/74/872615174.db2.gz FZUXACPIYGTTSQ-XLIONFOSSA-N 0 0 389.540 3.511 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=S)NCc1cccc(Cl)c1 ZINC001195968837 872774069 /nfs/dbraw/zinc/77/40/69/872774069.db2.gz XNKUOLRRRCBIBE-UHFFFAOYSA-N 0 0 389.952 3.683 20 10 GHCDRN O=C(NCc1ccccc1O)c1ccc(OC2CCOCC2)c(C(F)(F)F)c1 ZINC001196071941 872861429 /nfs/dbraw/zinc/86/14/29/872861429.db2.gz XTPSHVUANFPPNY-UHFFFAOYSA-N 0 0 395.377 3.899 20 10 GHCDRN CC[C@@H]1c2ccsc2CCN1C(=O)CN1CCOc2cc(N(C)C)ccc21 ZINC000746493123 872889147 /nfs/dbraw/zinc/88/91/47/872889147.db2.gz RASKOKDGBMUZBE-QGZVFWFLSA-N 0 0 385.533 3.549 20 10 GHCDRN Cc1cc(C(=O)CN2CCOC3(CCOCC3)C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000767906338 872951781 /nfs/dbraw/zinc/95/17/81/872951781.db2.gz RBDIKYKABOBLFI-UHFFFAOYSA-N 0 0 396.531 3.775 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3ccc(N4CCC(C)=N4)cc3)CC2)cc1 ZINC000102382561 872985741 /nfs/dbraw/zinc/98/57/41/872985741.db2.gz ISRXGLSNUSZFDH-UHFFFAOYSA-N 0 0 392.503 3.680 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000115758926 882678073 /nfs/dbraw/zinc/67/80/73/882678073.db2.gz UUBVOCKBTFSJFD-NRFANRHFSA-N 0 0 383.492 3.941 20 10 GHCDRN CCS(=O)(=O)c1cc(F)ccc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775717826 873103212 /nfs/dbraw/zinc/10/32/12/873103212.db2.gz GHXMDPGCSPPNHY-ZDUSSCGKSA-N 0 0 393.484 3.568 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000183015193 873122764 /nfs/dbraw/zinc/12/27/64/873122764.db2.gz JTTDBSDTVXAMCT-UHFFFAOYSA-N 0 0 384.455 3.923 20 10 GHCDRN CN(Cc1ccccc1O)S(=O)(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001196481121 873126885 /nfs/dbraw/zinc/12/68/85/873126885.db2.gz JAIRDRQZOUXEFT-UHFFFAOYSA-N 0 0 392.477 3.560 20 10 GHCDRN O=C(N1CCN(Cc2cc(Cl)ccc2O)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000768227285 873177593 /nfs/dbraw/zinc/17/75/93/873177593.db2.gz FWMORZKUBFCVPM-UHFFFAOYSA-N 0 0 388.939 3.906 20 10 GHCDRN Cc1c(Br)cccc1S(=O)(=O)Nc1cc(F)c(O)c(F)c1 ZINC001196551101 873205215 /nfs/dbraw/zinc/20/52/15/873205215.db2.gz IWCBAPDLBQQUTJ-UHFFFAOYSA-N 0 0 378.194 3.542 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@H]2CCOC2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000921214567 882703842 /nfs/dbraw/zinc/70/38/42/882703842.db2.gz DKHDHDQUYXENCK-AWEZNQCLSA-N 0 0 395.377 3.875 20 10 GHCDRN C[N@H+](Cc1cc(Br)cc(Br)c1[O-])[C@H](CO)C(C)(C)C ZINC000775734633 873262981 /nfs/dbraw/zinc/26/29/81/873262981.db2.gz UOUQFBNOLWPPDL-GFCCVEGCSA-N 0 0 395.135 3.756 20 10 GHCDRN Cc1cc(Br)cc(CN2CCN([C@H](C)C(F)(F)F)CC2)c1O ZINC000775735171 873267496 /nfs/dbraw/zinc/26/74/96/873267496.db2.gz JZMQUIKJFNKGQU-LLVKDONJSA-N 0 0 381.236 3.532 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@@H]1c2ccccc2NC1=O ZINC000116126731 873299319 /nfs/dbraw/zinc/29/93/19/873299319.db2.gz CVMREALJICCFJY-HXUWFJFHSA-N 0 0 377.488 3.761 20 10 GHCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1OC ZINC000858007736 882708403 /nfs/dbraw/zinc/70/84/03/882708403.db2.gz BZLWVGFTCXBVFQ-MRXNPFEDSA-N 0 0 399.447 3.932 20 10 GHCDRN COc1ccc(Cn2nc(C)c(CN(C)c3ccc4c(c3)OCO4)c2C)cc1 ZINC000768519358 873354776 /nfs/dbraw/zinc/35/47/76/873354776.db2.gz NFXMFUVVWMULIK-UHFFFAOYSA-N 0 0 379.460 3.922 20 10 GHCDRN COc1ccc(-c2noc([C@@H](C)N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 ZINC000768539179 873370903 /nfs/dbraw/zinc/37/09/03/873370903.db2.gz VSTFRGIVDLSNMG-MRXNPFEDSA-N 0 0 394.475 3.637 20 10 GHCDRN CCOC(=O)COc1cccc(NC(=O)NCc2ccc(N(CC)CC)cc2)c1 ZINC001196957368 873497524 /nfs/dbraw/zinc/49/75/24/873497524.db2.gz VSTRIYKWTFEDKP-UHFFFAOYSA-N 0 0 399.491 3.796 20 10 GHCDRN COc1ccc(CNC(=O)CSc2nccn2-c2ccc(C)c(C)c2)c(O)c1 ZINC000794372756 882730951 /nfs/dbraw/zinc/73/09/51/882730951.db2.gz CVHMEYFEDVUWBL-UHFFFAOYSA-N 0 0 397.500 3.612 20 10 GHCDRN COc1ccc(CNC(=O)c2c(C)nn(Cc3ccc(Cl)cc3)c2C)c(O)c1 ZINC000794376237 882736752 /nfs/dbraw/zinc/73/67/52/882736752.db2.gz CYEOYEHLTAEHBT-UHFFFAOYSA-N 0 0 399.878 3.846 20 10 GHCDRN COc1ccc(N2CCN(C(=O)C3CC(c4ccc(F)cc4)C3)CC2)cc1F ZINC000794373977 882732116 /nfs/dbraw/zinc/73/21/16/882732116.db2.gz JLQPGRXDTKEVPK-UHFFFAOYSA-N 0 0 386.442 3.816 20 10 GHCDRN COCCn1ncc(C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)c1C ZINC000867222221 873529658 /nfs/dbraw/zinc/52/96/58/873529658.db2.gz CECZVSMBVAJQQW-KRWDZBQOSA-N 0 0 393.487 3.947 20 10 GHCDRN O=S(=O)(c1ccccc1)n1ccc2ccc(NCc3ccc(O)c(O)c3)cc21 ZINC001169995283 873568626 /nfs/dbraw/zinc/56/86/26/873568626.db2.gz XIZPUFJNJQNIQA-UHFFFAOYSA-N 0 0 394.452 3.902 20 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Cc1cc(CNC(=O)N2CC[C@@H](O)CC23CCC3)c(C)n1-c1cccc(C)c1 ZINC000858903885 883442074 /nfs/dbraw/zinc/44/20/74/883442074.db2.gz FGSZOMGRSUGHAJ-OAQYLSRUSA-N 0 0 381.520 3.992 20 10 GHCDRN Cc1cc(CNC(=O)N2CCC(CCC(N)=O)CC2)c(C)n1-c1cccc(C)c1 ZINC000858905175 883444018 /nfs/dbraw/zinc/44/40/18/883444018.db2.gz MPFPONBGQQVRBF-UHFFFAOYSA-N 0 0 396.535 3.590 20 10 GHCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)c2cnc(Cl)c(F)c2)cc1 ZINC000804945245 883479309 /nfs/dbraw/zinc/47/93/09/883479309.db2.gz WOWWIICIIVKKEP-UHFFFAOYSA-N 0 0 385.892 3.541 20 10 GHCDRN C[C@H](NC(=O)NCc1cc(Br)ccc1O)c1c(F)cccc1F ZINC000804948246 883481528 /nfs/dbraw/zinc/48/15/28/883481528.db2.gz OBYNRKITMTXAHH-VIFPVBQESA-N 0 0 385.208 3.993 20 10 GHCDRN COc1ccc(F)cc1[C@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000804922976 883484130 /nfs/dbraw/zinc/48/41/30/883484130.db2.gz MHZJNOSDGWCHFK-JTQLQIEISA-N 0 0 397.244 3.863 20 10 GHCDRN COc1ccc(O)c(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c1 ZINC000774666068 912715057 /nfs/dbraw/zinc/71/50/57/912715057.db2.gz 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ZINC000805012970 883553341 /nfs/dbraw/zinc/55/33/41/883553341.db2.gz XZBOTUXSGNMYHC-FQEVSTJZSA-N 0 0 398.555 3.781 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ocnc1C(F)F ZINC000859098489 883587858 /nfs/dbraw/zinc/58/78/58/883587858.db2.gz JYMCSPMXYZRAQL-UHFFFAOYSA-N 0 0 387.333 3.612 20 10 GHCDRN Cc1ccc2c(c1)[C@@H](NC(=O)NCc1cc(Br)ccc1O)CC2 ZINC000805083140 883601356 /nfs/dbraw/zinc/60/13/56/883601356.db2.gz MMLRRTPVDGTPGU-INIZCTEOSA-N 0 0 375.266 3.950 20 10 GHCDRN C[NH+](C)CC[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1[O-])C(C)(C)C ZINC000805128112 883610672 /nfs/dbraw/zinc/61/06/72/883610672.db2.gz ZARMZFDOUBBMNL-AWEZNQCLSA-N 0 0 376.328 3.865 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1cc(Br)cc(F)c1[O-] ZINC000186136558 883615367 /nfs/dbraw/zinc/61/53/67/883615367.db2.gz CGCIUTLVUOVNNM-KNHMANMVSA-N 0 0 390.318 3.999 20 10 GHCDRN C[C@H](CNC(=O)NCc1cc(Br)ccc1O)Oc1ccc(F)cc1 ZINC000805157358 883635978 /nfs/dbraw/zinc/63/59/78/883635978.db2.gz MHZPFEISRQTGLR-LLVKDONJSA-N 0 0 397.244 3.561 20 10 GHCDRN COc1ccc(OC)c(NC(=O)CN(c2ccc(OC)c(F)c2)C(C)C)c1 ZINC000116605579 883670937 /nfs/dbraw/zinc/67/09/37/883670937.db2.gz HPGJYHAMDCOFHI-UHFFFAOYSA-N 0 0 376.428 3.705 20 10 GHCDRN COc1ccc(N2C(=O)/C(=C/c3cnc(Cl)c(C)c3)SC2=S)cn1 ZINC000760216072 883673613 /nfs/dbraw/zinc/67/36/13/883673613.db2.gz OGXASFVHVIXDCE-SDQBBNPISA-N 0 0 377.878 3.853 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000805221629 883700256 /nfs/dbraw/zinc/70/02/56/883700256.db2.gz TXZWPJUXNQBXCZ-JZXOWHBKSA-N 0 0 387.277 3.540 20 10 GHCDRN Cc1ccc(C(=O)N[C@H](CC(=O)NCc2ccccc2O)c2ccccc2)cc1 ZINC000729860814 883734749 /nfs/dbraw/zinc/73/47/49/883734749.db2.gz SFZHCFHLPZDBTB-OAQYLSRUSA-N 0 0 388.467 3.878 20 10 GHCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cn(C3CC3)nn2)cc1 ZINC000859321732 883740581 /nfs/dbraw/zinc/74/05/81/883740581.db2.gz RRBUFYPOKSGTNC-UHFFFAOYSA-N 0 0 391.475 3.535 20 10 GHCDRN C[C@@H](NC(=O)N(C)Cc1nc(-c2cccs2)no1)c1ccc(N(C)C)cc1 ZINC000805310512 883778631 /nfs/dbraw/zinc/77/86/31/883778631.db2.gz YRHNXAMSWBCYFM-CYBMUJFWSA-N 0 0 385.493 3.767 20 10 GHCDRN Cc1cc(F)cc2[nH]c(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc21 ZINC000116736411 883807164 /nfs/dbraw/zinc/80/71/64/883807164.db2.gz VVSCUNKRAGCFTM-OAHLLOKOSA-N 0 0 381.451 3.943 20 10 GHCDRN Cc1cc(C(F)F)oc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000859459867 883826464 /nfs/dbraw/zinc/82/64/64/883826464.db2.gz IHKPFBYGOXTWOH-UHFFFAOYSA-N 0 0 378.419 3.664 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC(c3cn[nH]c3)CC2)c1 ZINC000859459951 883827769 /nfs/dbraw/zinc/82/77/69/883827769.db2.gz JNBDMXBUSCVJKK-UHFFFAOYSA-N 0 0 376.460 3.650 20 10 GHCDRN Cc1ccccc1C[C@H](C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000859460281 883828180 /nfs/dbraw/zinc/82/81/80/883828180.db2.gz PHLVMVOZCKLNNZ-IBGZPJMESA-N 0 0 380.532 3.699 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H](C)Cc1c(C)noc1C ZINC000859493295 883849626 /nfs/dbraw/zinc/84/96/26/883849626.db2.gz FGJSRGCEWQUABC-CYBMUJFWSA-N 0 0 379.460 3.872 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)NCC1CCC(F)(F)CC1 ZINC000805452360 883855556 /nfs/dbraw/zinc/85/55/56/883855556.db2.gz DDZVVDLKGZZAJN-UHFFFAOYSA-N 0 0 377.229 3.779 20 10 GHCDRN Cc1cc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)c(C)n1-c1cccc(C)c1 ZINC000914504177 883880787 /nfs/dbraw/zinc/88/07/87/883880787.db2.gz XFXOKPLDXDNYDM-UHFFFAOYSA-N 0 0 381.520 3.733 20 10 GHCDRN O=C(Nc1cccc(N2CCCCCC2)c1)c1cccc(Cn2cncn2)c1 ZINC000859537652 883880874 /nfs/dbraw/zinc/88/08/74/883880874.db2.gz KHVPHIYFGZHJKG-UHFFFAOYSA-N 0 0 375.476 3.959 20 10 GHCDRN COC(=O)C1(NC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CCC1 ZINC000747251787 883883833 /nfs/dbraw/zinc/88/38/33/883883833.db2.gz WZDWXIVGXWMQNA-UHFFFAOYSA-N 0 0 380.448 3.994 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCCCOC2CCOCC2)ccc1C ZINC000859569994 883902712 /nfs/dbraw/zinc/90/27/12/883902712.db2.gz NPGBKQYNRNXZRZ-UHFFFAOYSA-N 0 0 398.503 3.531 20 10 GHCDRN CCCN(CC)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000914510060 883909185 /nfs/dbraw/zinc/90/91/85/883909185.db2.gz ONCISCBOHYXSTI-OWBHPGMISA-N 0 0 382.576 3.988 20 10 GHCDRN CC(C)c1nocc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000859675690 883984028 /nfs/dbraw/zinc/98/40/28/883984028.db2.gz NCQAPSAYWADZKK-ZDUSSCGKSA-N 0 0 379.407 3.798 20 10 GHCDRN Cc1cc(C(=O)COC(=O)COCc2ccccn2)c(C)n1-c1ccccc1C ZINC000805694996 884010576 /nfs/dbraw/zinc/01/05/76/884010576.db2.gz DYDBENQVGDVACE-UHFFFAOYSA-N 0 0 392.455 3.740 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(C2CC2)[nH]c1C1CC1 ZINC000859734597 884023006 /nfs/dbraw/zinc/02/30/06/884023006.db2.gz WICVDEWASPSGSK-UHFFFAOYSA-N 0 0 397.494 3.800 20 10 GHCDRN CCC(=O)c1ccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cc1 ZINC000760382468 884025636 /nfs/dbraw/zinc/02/56/36/884025636.db2.gz NIYGIWROTDHXSC-IYBDPMFKSA-N 0 0 398.478 3.962 20 10 GHCDRN COC[C@H](NC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1)c1ccco1 ZINC000859802863 884078011 /nfs/dbraw/zinc/07/80/11/884078011.db2.gz JOUXGGQGLSXPIM-FQEVSTJZSA-N 0 0 380.444 3.546 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCCCc2c(C)noc2C)cc1 ZINC000859963513 884216870 /nfs/dbraw/zinc/21/68/70/884216870.db2.gz RHXCVNGAINHZMS-UHFFFAOYSA-N 0 0 393.487 3.803 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCOc1ncccc1Cl ZINC000761780463 884231067 /nfs/dbraw/zinc/23/10/67/884231067.db2.gz KHZPEWUJBPANJM-UHFFFAOYSA-N 0 0 390.915 3.800 20 10 GHCDRN Nc1ccc(CCNC(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000841954411 884304505 /nfs/dbraw/zinc/30/45/05/884304505.db2.gz LWJOYXICYNMKMB-LJQANCHMSA-N 0 0 391.475 3.798 20 10 GHCDRN CC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1)c1cccc(Cl)c1[O-] ZINC000806133662 884352772 /nfs/dbraw/zinc/35/27/72/884352772.db2.gz PLBGIRWYBGBKFE-SJCJKPOMSA-N 0 0 382.913 3.756 20 10 GHCDRN CC[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1)c1cccc(Cl)c1[O-] ZINC000806133663 884353694 /nfs/dbraw/zinc/35/36/94/884353694.db2.gz PLBGIRWYBGBKFE-SJKOYZFVSA-N 0 0 382.913 3.756 20 10 GHCDRN CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1cccc(Cl)c1[O-] ZINC000806141020 884400485 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CC[C@H](CC(F)(F)F)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000828519091 884533683 /nfs/dbraw/zinc/53/36/83/884533683.db2.gz FCKVWPBILAGFJS-SNVBAGLBSA-N 0 0 381.778 3.526 20 10 GHCDRN O=C(COc1c(Cl)cc(Cl)cc1Cl)NCc1ccc(O)cc1O ZINC001142533857 884601075 /nfs/dbraw/zinc/60/10/75/884601075.db2.gz TZMMHJLYEQQHJU-UHFFFAOYSA-N 0 0 376.623 3.753 20 10 GHCDRN COc1cc(C[NH2+]Cc2cccc(Cl)c2[O-])cc(OC)c1OCC(F)F ZINC000898218947 884635625 /nfs/dbraw/zinc/63/56/25/884635625.db2.gz TXJODSSUZLPYKX-UHFFFAOYSA-N 0 0 387.810 3.997 20 10 GHCDRN CC[C@H](c1ccccc1OC)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000806512145 884778157 /nfs/dbraw/zinc/77/81/57/884778157.db2.gz MTDLZGACXNRKKF-OAQYLSRUSA-N 0 0 397.519 3.825 20 10 GHCDRN CC(=C/c1cccc(C(F)(F)F)c1)/C=C1\SC(N2CCOCC2)=NC1=O ZINC000806570673 884825486 /nfs/dbraw/zinc/82/54/86/884825486.db2.gz HBXWRVCUATTXTL-XEQUUTRQSA-N 0 0 382.407 3.954 20 10 GHCDRN CC(=O)c1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1F ZINC000806575306 884829583 /nfs/dbraw/zinc/82/95/83/884829583.db2.gz 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/nfs/dbraw/zinc/46/79/17/1023467917.db2.gz VYJNSXMEWYYARK-UHFFFAOYSA-N 0 0 379.478 3.653 20 10 GHCDRN C[C@H]([NH2+]CCNC(=O)c1ccc(F)cc1)c1cc(Br)cc(F)c1[O-] ZINC000756455311 1023660517 /nfs/dbraw/zinc/66/05/17/1023660517.db2.gz QUMRWQYKAMFGSW-JTQLQIEISA-N 0 0 399.235 3.514 20 10 GHCDRN C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(F)cc(F)c1[O-] ZINC000756460900 1023663928 /nfs/dbraw/zinc/66/39/28/1023663928.db2.gz UYBDAYCQDXQTBH-GFCCVEGCSA-N 0 0 380.410 3.621 20 10 GHCDRN C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000756462824 1023665653 /nfs/dbraw/zinc/66/56/53/1023665653.db2.gz ANUAGIXUQZJOLK-LBPRGKRZSA-N 0 0 398.475 3.598 20 10 GHCDRN C[C@H]([NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-])C(=O)NC(C)(C)C ZINC000756490549 1023683259 /nfs/dbraw/zinc/68/32/59/1023683259.db2.gz VXABULMHCPRTDC-IUCAKERBSA-N 0 0 377.710 3.762 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCc2ccc(OC)c(OC(F)F)c2)c1 ZINC000756516275 1023693263 /nfs/dbraw/zinc/69/32/63/1023693263.db2.gz 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381.375 3.640 20 10 GHCDRN COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C)c2noc(Cc3ccccc3)n2)c1 ZINC000756648843 1023753900 /nfs/dbraw/zinc/75/39/00/1023753900.db2.gz LKXLHTYMUVMJNA-KGLIPLIRSA-N 0 0 381.432 3.564 20 10 GHCDRN COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@@H](C)c3cc(F)cc(F)c3[O-])C2)c1 ZINC000756650715 1023754834 /nfs/dbraw/zinc/75/48/34/1023754834.db2.gz PIVIDQZSBZZKAC-KBPBESRZSA-N 0 0 392.446 3.865 20 10 GHCDRN Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756739888 1023794586 /nfs/dbraw/zinc/79/45/86/1023794586.db2.gz ZYMSSBSATOIFNO-NSHDSACASA-N 0 0 399.260 3.666 20 10 GHCDRN C[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cc(Br)cc(F)c1[O-] ZINC000756764605 1023805573 /nfs/dbraw/zinc/80/55/73/1023805573.db2.gz JPDFVCJIDNNEQF-DGCLKSJQSA-N 0 0 388.277 3.673 20 10 GHCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(OC)c(N3CCCCC3=O)c2)c1 ZINC000756817843 1023825547 /nfs/dbraw/zinc/82/55/47/1023825547.db2.gz CVFFOBQHGLOFIC-AWEZNQCLSA-N 0 0 398.459 3.877 20 10 GHCDRN 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GHCDRN CCN(CC)c1ccc(CN2CCN(c3ccc(Cl)cn3)CC2)c(OC)c1 ZINC001138390084 1024765813 /nfs/dbraw/zinc/76/58/13/1024765813.db2.gz NRYGNBMUEQFHOV-UHFFFAOYSA-N 0 0 388.943 3.912 20 10 GHCDRN CCN(CC)c1ccc(CN2Cc3ccccc3[C@H](C(=O)OC)C2)c(OC)c1 ZINC001138392526 1024771404 /nfs/dbraw/zinc/77/14/04/1024771404.db2.gz YTMOPRCVKNBSPE-OAQYLSRUSA-N 0 0 382.504 3.814 20 10 GHCDRN CCNC(=O)[C@@H](NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C)C(C)C ZINC001141383422 1024813236 /nfs/dbraw/zinc/81/32/36/1024813236.db2.gz OTRJQYVBGBOSBK-SFHVURJKSA-N 0 0 375.900 3.638 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N3CCC[C@]4(CCSC4)C3)CC2)cc1 ZINC000838191462 1024986927 /nfs/dbraw/zinc/98/69/27/1024986927.db2.gz WEKJGHFPUHTVES-NRFANRHFSA-N 0 0 389.565 3.593 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC[C@](C)(O)c1ccccc1 ZINC001138627178 1025127193 /nfs/dbraw/zinc/12/71/93/1025127193.db2.gz YSIZFIUUMUMICO-DEOSSOPVSA-N 0 0 390.483 3.934 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC1(Cc2ccccc2)CCOCC1 ZINC000838487121 1025167110 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CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C ZINC000838653798 1025268873 /nfs/dbraw/zinc/26/88/73/1025268873.db2.gz UCUJHOYWRAVTCD-HZPDHXFCSA-N 0 0 392.544 3.586 20 10 GHCDRN CC(C)[C@@H]1C[C@@H](CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCO1 ZINC000838671566 1025283167 /nfs/dbraw/zinc/28/31/67/1025283167.db2.gz CSZFKFZYMRINLU-CUWPLCDZSA-N 0 0 390.524 3.534 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2SC)cc1 ZINC000832205189 1025330325 /nfs/dbraw/zinc/33/03/25/1025330325.db2.gz UZEGXKIVPRQFQR-UHFFFAOYSA-N 0 0 389.496 3.649 20 10 GHCDRN Cc1ccc(F)cc1NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838747810 1025343410 /nfs/dbraw/zinc/34/34/10/1025343410.db2.gz YKZGSJXYIARDDB-UHFFFAOYSA-N 0 0 379.382 3.571 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001141538666 1025431847 /nfs/dbraw/zinc/43/18/47/1025431847.db2.gz TUSGTTOUIFTAOG-SFHVURJKSA-N 0 0 378.394 3.655 20 10 GHCDRN C[C@H](NC(=O)[C@H]1CCC(=O)N(c2cccc(F)c2)C1)c1ccc(N(C)C)cc1 ZINC000832437045 1025557871 /nfs/dbraw/zinc/55/78/71/1025557871.db2.gz WOZMJWOCJGFJJA-RDJZCZTQSA-N 0 0 383.467 3.512 20 10 GHCDRN Cc1noc(C2CN(Cc3ccc(N4CCCCC4)c(Br)c3)C2)n1 ZINC000839131573 1025624558 /nfs/dbraw/zinc/62/45/58/1025624558.db2.gz WCWCEUDMALDILM-UHFFFAOYSA-N 0 0 391.313 3.730 20 10 GHCDRN O=C(Nc1nc(C(F)(F)F)co1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000839133005 1025626426 /nfs/dbraw/zinc/62/64/26/1025626426.db2.gz OTWPOLVQLSNEOE-LBPRGKRZSA-N 0 0 385.342 3.612 20 10 GHCDRN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000839227942 1025742695 /nfs/dbraw/zinc/74/26/95/1025742695.db2.gz DFAKBPHNRAMVDX-INIZCTEOSA-N 0 0 393.487 3.677 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)Cc3ccnc(F)c3)cc2Cl)C1 ZINC001139139188 1025951703 /nfs/dbraw/zinc/95/17/03/1025951703.db2.gz QXWAVLXEAWOKOL-CQSZACIVSA-N 0 0 375.875 3.969 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000839472151 1025963160 /nfs/dbraw/zinc/96/31/60/1025963160.db2.gz LHEPDSYCCFEUDA-HSZRJFAPSA-N 0 0 394.515 3.771 20 10 GHCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H]2C[C@H]2c2cccc(O)c2)cc1 ZINC000839491730 1025981129 /nfs/dbraw/zinc/98/11/29/1025981129.db2.gz ZVBSTOWLFIUCTQ-XPWALMASSA-N 0 0 394.515 3.770 20 10 GHCDRN O=C(C[C@@H](c1ccc(O)cc1)C1CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000839549900 1026047794 /nfs/dbraw/zinc/04/77/94/1026047794.db2.gz OWSWPPBHXGIFPK-HXUWFJFHSA-N 0 0 398.478 3.568 20 10 GHCDRN CC[C@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@@H](O)C(C)C ZINC000839621208 1026125946 /nfs/dbraw/zinc/12/59/46/1026125946.db2.gz BFRFWEHFIBZUSA-OALUTQOASA-N 0 0 382.464 3.952 20 10 GHCDRN C[C@@H]1[C@@H](CO)CCCN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000839639818 1026148984 /nfs/dbraw/zinc/14/89/84/1026148984.db2.gz LQPLSFIOPWIAJG-HZPDHXFCSA-N 0 0 380.448 3.660 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001163486783 1026211552 /nfs/dbraw/zinc/21/15/52/1026211552.db2.gz LECMRYHTWXKMKT-KRWDZBQOSA-N 0 0 377.828 3.940 20 10 GHCDRN Cc1nnc(-c2cccc(C(=O)N[C@@H](C)Cc3ccc(N(C)C)cc3C)c2)o1 ZINC000839920034 1026348307 /nfs/dbraw/zinc/34/83/07/1026348307.db2.gz ZVMANAIWOSXTKK-HNNXBMFYSA-N 0 0 378.476 3.780 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cc1ccccc1O[C@H]1CCOC1 ZINC000839922850 1026349044 /nfs/dbraw/zinc/34/90/44/1026349044.db2.gz YQUFMRGTAOGNBK-GCJKJVERSA-N 0 0 396.531 3.519 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)NC[C@H](O)c2ccc(F)cc2)CCCC1 ZINC001139506527 1026361286 /nfs/dbraw/zinc/36/12/86/1026361286.db2.gz UZMRLZYYPRZMAP-QFIPXVFZSA-N 0 0 396.462 3.518 20 10 GHCDRN CCN1CC[C@@]2(C[N@H+](Cc3c(F)ccc(F)c3[O-])C[C@@H]2c2ccccc2)C1=O ZINC001139681967 1026537724 /nfs/dbraw/zinc/53/77/24/1026537724.db2.gz JYKCQLYVWRRNHK-VGSWGCGISA-N 0 0 386.442 3.508 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2c[nH]c3ncnc(Cl)c23)C1 ZINC001139936499 1026742223 /nfs/dbraw/zinc/74/22/23/1026742223.db2.gz QAKOAKYAEGXOEL-UHFFFAOYSA-N 0 0 381.867 3.622 20 10 GHCDRN COCCOc1ccc(N2CCN(Cc3cc4ccccc4cn3)CC2)cc1 ZINC001140001193 1026790430 /nfs/dbraw/zinc/79/04/30/1026790430.db2.gz YBTGRRNMXDEMKS-UHFFFAOYSA-N 0 0 377.488 3.582 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C ZINC001140026377 1026815580 /nfs/dbraw/zinc/81/55/80/1026815580.db2.gz VGZKDQUCOCWTTD-CQSZACIVSA-N 0 0 399.491 3.550 20 10 GHCDRN CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCCN2Cc1c(O)cccc1Br ZINC001140100034 1026878371 /nfs/dbraw/zinc/87/83/71/1026878371.db2.gz BQUXNQVZJYSECI-GJZGRUSLSA-N 0 0 397.313 3.738 20 10 GHCDRN Oc1cccc(Br)c1CN1CCN(Cc2cccc(F)c2)CC1 ZINC001140101124 1026879015 /nfs/dbraw/zinc/87/90/15/1026879015.db2.gz JZWTUXPJUMWDRQ-UHFFFAOYSA-N 0 0 379.273 3.612 20 10 GHCDRN C/C=C/c1ccc(OC[C@H](O)CSc2ncc(C(=O)OC)s2)c(OC)c1 ZINC000834383970 1026962385 /nfs/dbraw/zinc/96/23/85/1026962385.db2.gz YIRCWBQSIGXQGU-IHVVCDCBSA-N 0 0 395.502 3.503 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001166816453 1027093132 /nfs/dbraw/zinc/09/31/32/1027093132.db2.gz YDOBCVGNYHTLPT-UHFFFAOYSA-N 0 0 389.415 3.601 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2nc(Cl)nc3cccnc32)C1 ZINC001166815770 1027093499 /nfs/dbraw/zinc/09/34/99/1027093499.db2.gz HULSPSBMVMNTQP-UHFFFAOYSA-N 0 0 379.851 3.741 20 10 GHCDRN CCOC(=O)c1c(C)ccnc1N1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001166818771 1027094048 /nfs/dbraw/zinc/09/40/48/1027094048.db2.gz SMXYCUVCGDFGLK-UHFFFAOYSA-N 0 0 379.460 3.630 20 10 GHCDRN COC(=O)c1cc(Nc2ccc3c(c2)OCCN3)c(Br)cc1OC ZINC001209788214 1027191946 /nfs/dbraw/zinc/19/19/46/1027191946.db2.gz IYWKPODYDVLKGZ-UHFFFAOYSA-N 0 0 393.237 3.792 20 10 GHCDRN CN1CCOc2cc(Nc3ccc(OCCOc4ccc(N)cc4)cc3)cnc21 ZINC001203497006 1027383426 /nfs/dbraw/zinc/38/34/26/1027383426.db2.gz PRWWMWWWNXDOEP-UHFFFAOYSA-N 0 0 392.459 3.694 20 10 GHCDRN C[C@H](O)[C@@H]1CCN(c2cc(NCc3ccc(N4CCC(C)CC4)cc3)ncn2)C1 ZINC000840258696 1027388705 /nfs/dbraw/zinc/38/87/05/1027388705.db2.gz GUMXWFZROUGEBB-AZUAARDMSA-N 0 0 395.551 3.532 20 10 GHCDRN CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000840262001 1027389733 /nfs/dbraw/zinc/38/97/33/1027389733.db2.gz BKKHEQRUZRPGGT-SFTDATJTSA-N 0 0 387.568 3.909 20 10 GHCDRN CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000840260271 1027389881 /nfs/dbraw/zinc/38/98/81/1027389881.db2.gz GDPRIQYUVQEGFE-HKUYNNGSSA-N 0 0 391.531 3.801 20 10 GHCDRN OC1CCN(c2ccc(CNCC(F)(F)c3cc(F)cc(F)c3)cc2)CC1 ZINC001203517262 1027397165 /nfs/dbraw/zinc/39/71/65/1027397165.db2.gz OHGQAKVQGFRKMY-UHFFFAOYSA-N 0 0 382.401 3.808 20 10 GHCDRN C[C@H]1C[N@H+](Cc2cc(Br)cc(Br)c2[O-])CC[C@]1(C)O ZINC001203565313 1027436670 /nfs/dbraw/zinc/43/66/70/1027436670.db2.gz ZXZXHGKYURLWEB-XPTSAGLGSA-N 0 0 393.119 3.510 20 10 GHCDRN CCOC(=O)[C@@H]1c2ccc(Cl)cc2CCN1Cc1ccc(OC)cc1O ZINC001203635203 1027494328 /nfs/dbraw/zinc/49/43/28/1027494328.db2.gz OONZOKXDFYHPMX-IBGZPJMESA-N 0 0 375.852 3.717 20 10 GHCDRN COc1cccc(CNC(=O)NCC2(c3c(F)cccc3F)CCC2)c1O ZINC000840417477 1027523235 /nfs/dbraw/zinc/52/32/35/1027523235.db2.gz IJVOKTPDMRZROX-UHFFFAOYSA-N 0 0 376.403 3.600 20 10 GHCDRN Nc1ccc2c(c1Nc1ccccc1-n1cccn1)C(=O)c1ccccc1C2=O ZINC001210733311 1027629383 /nfs/dbraw/zinc/62/93/83/1027629383.db2.gz LEMHEPZSDNHIHC-UHFFFAOYSA-N 0 0 380.407 3.974 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC001210875989 1027688784 /nfs/dbraw/zinc/68/87/84/1027688784.db2.gz VWGDFWSJEWNSNF-APWZRJJASA-N 0 0 388.581 3.656 20 10 GHCDRN CCN(CC)c1ccc(C[N@@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)cc1 ZINC001203940526 1027735248 /nfs/dbraw/zinc/73/52/48/1027735248.db2.gz ONSVODVFVBJIBC-VABKMULXSA-N 0 0 381.520 3.739 20 10 GHCDRN COC[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(F)c(F)c1 ZINC000840760409 1027799108 /nfs/dbraw/zinc/79/91/08/1027799108.db2.gz XEHKGVFXLUHZSO-IBGZPJMESA-N 0 0 398.400 3.557 20 10 GHCDRN COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])cc1 ZINC000840808184 1027847065 /nfs/dbraw/zinc/84/70/65/1027847065.db2.gz HOHNRIWCVMDCRB-AAEUAGOBSA-N 0 0 398.272 3.729 20 10 GHCDRN CC(=O)Nc1cccc(NC(=S)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000840869888 1027908528 /nfs/dbraw/zinc/90/85/28/1027908528.db2.gz PXRDPSJLHFMBSL-HNNXBMFYSA-N 0 0 384.549 3.937 20 10 GHCDRN C[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1cc(Br)cc(Cl)c1[O-] ZINC000840876027 1027914132 /nfs/dbraw/zinc/91/41/32/1027914132.db2.gz IQIYEENCRWEVDL-SECBINFHSA-N 0 0 398.750 3.672 20 10 GHCDRN C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1cc(Br)c(F)cc1[O-] ZINC000840879259 1027916331 /nfs/dbraw/zinc/91/63/31/1027916331.db2.gz CVCLIEOVBOCXKI-JQWIXIFHSA-N 0 0 386.236 3.860 20 10 GHCDRN Cc1nc(CN2CCC(C[NH2+]Cc3c(O)cc(C)cc3Cl)CC2)oc1C ZINC000840895924 1027930201 /nfs/dbraw/zinc/93/02/01/1027930201.db2.gz ATVIAXZKDBKDGN-UHFFFAOYSA-N 0 0 377.916 3.961 20 10 GHCDRN Cc1cc(O)c(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)c(Cl)c1 ZINC000840910753 1027944941 /nfs/dbraw/zinc/94/49/41/1027944941.db2.gz RGDKXUUPNFTKQZ-UHFFFAOYSA-N 0 0 376.859 3.841 20 10 GHCDRN CCS(=O)(=O)Nc1ccc(NCc2c(O)cc(C)cc2Cl)cc1OC ZINC000840909439 1027945249 /nfs/dbraw/zinc/94/52/49/1027945249.db2.gz RYCMRHXTJDPLHF-UHFFFAOYSA-N 0 0 384.885 3.736 20 10 GHCDRN COc1ccc2onc(CC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)c2c1 ZINC000841028077 1028054718 /nfs/dbraw/zinc/05/47/18/1028054718.db2.gz KWLPZNSBUSAFMQ-UHFFFAOYSA-N 0 0 379.460 3.636 20 10 GHCDRN Nc1ccc(CCNC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)cc1 ZINC000841200755 1028271130 /nfs/dbraw/zinc/27/11/30/1028271130.db2.gz FYYARSNWBSZWJD-HNNXBMFYSA-N 0 0 389.883 3.702 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3ccc(S(C)(=O)=O)nc3)n2)cc1 ZINC001213574855 1028275577 /nfs/dbraw/zinc/27/55/77/1028275577.db2.gz UINGCSLZBGWFCY-UHFFFAOYSA-N 0 0 394.456 3.610 20 10 GHCDRN COc1ccc(N(c2ccc(N)cc2)S(C)(=O)=O)cc1OCc1ccccc1 ZINC001213688329 1028330869 /nfs/dbraw/zinc/33/08/69/1028330869.db2.gz GFHSYIHVHVLILG-UHFFFAOYSA-N 0 0 398.484 3.954 20 10 GHCDRN Nc1ccc(F)c(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000841307745 1028402321 /nfs/dbraw/zinc/40/23/21/1028402321.db2.gz ZIEKRCHPBCOJDH-CYBMUJFWSA-N 0 0 394.397 3.800 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ncsc1Br ZINC000841347382 1028466250 /nfs/dbraw/zinc/46/62/50/1028466250.db2.gz RTBQOSQPZJXFFL-LLVKDONJSA-N 0 0 382.327 3.641 20 10 GHCDRN COc1ccc2onc(CC(=O)NCc3ccc(N4CCC(C)CC4)cc3)c2c1 ZINC000841390428 1028557045 /nfs/dbraw/zinc/55/70/45/1028557045.db2.gz DMBYPTFNTPWHMO-UHFFFAOYSA-N 0 0 393.487 3.932 20 10 GHCDRN COc1ccc(N2CCC(NS(=O)(=O)c3c(C)cccc3Cl)CC2)cc1 ZINC000841480208 1028682165 /nfs/dbraw/zinc/68/21/65/1028682165.db2.gz XZUCILPXIUVKHU-UHFFFAOYSA-N 0 0 394.924 3.604 20 10 GHCDRN Nc1ccc2c(c1Nc1cccc(Cl)c1CO)C(=O)c1ccccc1C2=O ZINC001214654398 1028838758 /nfs/dbraw/zinc/83/87/58/1028838758.db2.gz NUSHOMYLZPCEPY-UHFFFAOYSA-N 0 0 378.815 3.934 20 10 GHCDRN Nc1ccc2c(c1)CCC[C@@H]2NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841707305 1028864197 /nfs/dbraw/zinc/86/41/97/1028864197.db2.gz PPECJOCPBXJWFN-NRFANRHFSA-N 0 0 396.560 3.699 20 10 GHCDRN Cc1noc(-c2ccc(NC(=O)N[C@@H](C)Cc3ccc(N(C)C)cc3C)cn2)n1 ZINC000841723970 1028881258 /nfs/dbraw/zinc/88/12/58/1028881258.db2.gz NVCCZOVWJGAXLG-AWEZNQCLSA-N 0 0 394.479 3.567 20 10 GHCDRN CCOC(=O)CN(CC(C)C)C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC001142428301 1028883178 /nfs/dbraw/zinc/88/31/78/1028883178.db2.gz KDXGUMVBQZPIPY-UHFFFAOYSA-N 0 0 386.492 3.764 20 10 GHCDRN O=C1CCc2cc(NCc3cc(Br)cc(F)c3O)c(F)cc2N1 ZINC001461448339 1069554464 /nfs/dbraw/zinc/55/44/64/1069554464.db2.gz OLJOSKRFPGWNDK-UHFFFAOYSA-N 0 0 383.192 3.930 20 10 GHCDRN CCn1cccc(NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1=O ZINC000841728919 1028887871 /nfs/dbraw/zinc/88/78/71/1028887871.db2.gz BBZFNNSYDDGWNS-UHFFFAOYSA-N 0 0 382.508 3.959 20 10 GHCDRN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2[O-])s1 ZINC000841752938 1028912804 /nfs/dbraw/zinc/91/28/04/1028912804.db2.gz DALCIONQXAPMAP-GMTAPVOTSA-N 0 0 382.917 3.773 20 10 GHCDRN CCOC(=O)c1snnc1-c1nc(-c2cc(C(F)(F)F)ccc2C)no1 ZINC001214859821 1028941490 /nfs/dbraw/zinc/94/14/90/1028941490.db2.gz ZAOVIDOZIVFPSA-UHFFFAOYSA-N 0 0 384.339 3.759 20 10 GHCDRN CCOC(=O)c1snnc1-c1nc(-c2ccc(OC)c3ccccc23)no1 ZINC001214861822 1028942591 /nfs/dbraw/zinc/94/25/91/1028942591.db2.gz PNMGONJUXDOSRR-UHFFFAOYSA-N 0 0 382.401 3.594 20 10 GHCDRN COc1ccc(C[NH2+][C@@H](C(=O)[O-])c2cc(Br)ccc2OC)cc1C ZINC000841805976 1028954282 /nfs/dbraw/zinc/95/42/82/1028954282.db2.gz NIGWJAIXIFKQJZ-QGZVFWFLSA-N 0 0 394.265 3.690 20 10 GHCDRN C[C@@H](NC(=O)NCCc1ccc(N)cc1)[C@H](O)c1c(Cl)cccc1Cl ZINC000841957217 1029013923 /nfs/dbraw/zinc/01/39/23/1029013923.db2.gz GJSHJMZBUJEZAI-DIFFPNOSSA-N 0 0 382.291 3.539 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC2(CC[N@H+](Cc3cc(F)c(F)cc3[O-])C2)CC1 ZINC001142513016 1029016814 /nfs/dbraw/zinc/01/68/14/1029016814.db2.gz TUBHQCDJIOLPRK-UHFFFAOYSA-N 0 0 382.451 3.893 20 10 GHCDRN O=C(c1cccs1)N1CCC2(C1)CC[NH+](Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142517152 1029020265 /nfs/dbraw/zinc/02/02/65/1029020265.db2.gz BUBJZINMBVJUOD-UHFFFAOYSA-N 0 0 392.471 3.860 20 10 GHCDRN Cc1cccc(N2CCC[C@]3(CN(Cc4cc(F)c(F)cc4O)CCO3)C2)c1 ZINC001142517344 1029021575 /nfs/dbraw/zinc/02/15/75/1029021575.db2.gz JXIMBADRTPLIJK-QFIPXVFZSA-N 0 0 388.458 3.850 20 10 GHCDRN [NH3+]CCC[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1[O-])c1ccccc1 ZINC000841993705 1029023406 /nfs/dbraw/zinc/02/34/06/1029023406.db2.gz ALRXGWJDRZKRAH-MRXNPFEDSA-N 0 0 382.291 3.978 20 10 GHCDRN Oc1cccc(-c2nc(-c3cccc(-n4cc(Br)cn4)c3)no2)c1O ZINC001215146037 1029058675 /nfs/dbraw/zinc/05/86/75/1029058675.db2.gz XXRMCKHCUVYJGD-UHFFFAOYSA-N 0 0 399.204 3.763 20 10 GHCDRN CCOc1ccc(Br)cc1-c1noc(-c2ccc(O)c(O)c2O)n1 ZINC001215325268 1029153783 /nfs/dbraw/zinc/15/37/83/1029153783.db2.gz JINRRBPIHQNOSB-UHFFFAOYSA-N 0 0 393.193 3.682 20 10 GHCDRN COc1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1-c1ccccn1 ZINC001142728687 1029353244 /nfs/dbraw/zinc/35/32/44/1029353244.db2.gz ZYOVLLBGCKFRCF-UHFFFAOYSA-N 0 0 385.423 3.941 20 10 GHCDRN COc1cc(N2CCN(Cc3ccc4ccccc4n3)CC2)cc(OC)c1OC ZINC000183697202 1029398786 /nfs/dbraw/zinc/39/87/86/1029398786.db2.gz MPVRTARJDFAHMM-UHFFFAOYSA-N 0 0 393.487 3.583 20 10 GHCDRN CN(c1c(F)c(Cl)cc(Cl)c1F)S(=O)(=O)CCc1ccc(N)cc1 ZINC001215941598 1029465162 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C[C@@]1(C[NH3+])CCCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])C1 ZINC001237081945 1042027728 /nfs/dbraw/zinc/02/77/28/1042027728.db2.gz OCRNMEWYPVSCRR-AWEZNQCLSA-N 0 0 381.236 3.734 20 10 GHCDRN O=C(OCc1ccccc1)[C@@H]1CCCN1Cc1c(O)cccc1OC(F)(F)F ZINC001237121169 1042048640 /nfs/dbraw/zinc/04/86/40/1042048640.db2.gz WARAWQZETOMCQF-INIZCTEOSA-N 0 0 395.377 3.999 20 10 GHCDRN C[C@@H]1CN(C(=O)c2ccccc2)CCN1Cc1c(O)cccc1OC(F)(F)F ZINC001237125112 1042052632 /nfs/dbraw/zinc/05/26/32/1042052632.db2.gz IRQNTWDLVCBEQU-CQSZACIVSA-N 0 0 394.393 3.637 20 10 GHCDRN CS(=O)(=O)c1cccc([C@@H]2CCCN(Cc3c(O)ccc(F)c3Cl)C2)c1 ZINC001237131645 1042055883 /nfs/dbraw/zinc/05/58/83/1042055883.db2.gz WBYWMYPOFVPXHQ-CQSZACIVSA-N 0 0 397.899 3.968 20 10 GHCDRN CCOC[C@@H]1CN(Cc2cc(C(F)(F)F)ccc2O)Cc2nn(CC)cc21 ZINC001237137729 1042059860 /nfs/dbraw/zinc/05/98/60/1042059860.db2.gz SCVHCJCYYDVWTB-AWEZNQCLSA-N 0 0 383.414 3.763 20 10 GHCDRN Cc1ccc(C(=O)N2CCN(Cc3cc(C(F)(F)F)ccc3O)CC2)cc1 ZINC001237142336 1042061735 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C[C@@]1(O)CCCC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2[O-])C1 ZINC001237783496 1042367758 /nfs/dbraw/zinc/36/77/58/1042367758.db2.gz JIPBWIUUZATHRD-CQSZACIVSA-N 0 0 382.220 3.910 20 10 GHCDRN COc1cccc2c1CCN(Cc1cccc(I)c1O)C2 ZINC001237784696 1042368262 /nfs/dbraw/zinc/36/82/62/1042368262.db2.gz XBTDWEYHGLEQJS-UHFFFAOYSA-N 0 0 395.240 3.564 20 10 GHCDRN C[N@@H+]1CCC[C@H]2CN(Cc3cc(Br)cc(C(F)(F)F)c3[O-])C[C@H]21 ZINC001237787568 1042370179 /nfs/dbraw/zinc/37/01/79/1042370179.db2.gz VJZHGEZVCBBWMB-IINYFYTJSA-N 0 0 393.247 3.700 20 10 GHCDRN CC[NH+]1C[C@@H]2CN(Cc3cc(Br)cc(C(F)(F)F)c3[O-])C[C@H]2C1 ZINC001237787576 1042370233 /nfs/dbraw/zinc/37/02/33/1042370233.db2.gz VTIUVVCSBBNVLX-VXGBXAGGSA-N 0 0 393.247 3.557 20 10 GHCDRN C[C@@H]1CO[C@@H]2C[N@H+](Cc3cc(Br)cc(C(F)(F)F)c3[O-])C[C@H]12 ZINC001237792186 1042372839 /nfs/dbraw/zinc/37/28/39/1042372839.db2.gz QBZMWSQXKDQQCC-XTWCZFFVSA-N 0 0 380.204 3.640 20 10 GHCDRN C[N@@H+](Cc1cc(F)cc(Cl)c1[O-])C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001237800825 1042377071 /nfs/dbraw/zinc/37/70/71/1042377071.db2.gz BXAPPGREUYMVBH-SFHVURJKSA-N 0 0 378.875 3.518 20 10 GHCDRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(F)cc(Cl)c1[O-])C2 ZINC001237800955 1042377121 /nfs/dbraw/zinc/37/71/21/1042377121.db2.gz PXWQVMZGVNSUOC-SJCJKPOMSA-N 0 0 392.833 3.670 20 10 GHCDRN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001237800954 1042377581 /nfs/dbraw/zinc/37/75/81/1042377581.db2.gz PXFJMULOIHKFMP-QXAKKESOSA-N 0 0 392.858 3.781 20 10 GHCDRN CCOC[C@@H]1CN(Cc2cc(F)c(Cl)cc2O)Cc2ncn(CC3CC3)c21 ZINC001237939171 1042429352 /nfs/dbraw/zinc/42/93/52/1042429352.db2.gz UGCVFDLZHWEVSD-HNNXBMFYSA-N 0 0 393.890 3.927 20 10 GHCDRN COc1ccc(N2CCN(Cc3scnc3Br)CC2)c(C)c1 ZINC001238034589 1042468293 /nfs/dbraw/zinc/46/82/93/1042468293.db2.gz FTDGQPPFJINPPT-UHFFFAOYSA-N 0 0 382.327 3.545 20 10 GHCDRN Cc1cc(F)cc(CN2Cc3c(cnn3CC3CC3)[C@@H](COCC3CC3)C2)c1O ZINC001238061751 1042479252 /nfs/dbraw/zinc/47/92/52/1042479252.db2.gz RTAQOTFADLKIHK-LJQANCHMSA-N 0 0 399.510 3.972 20 10 GHCDRN COc1ccc(N2CCN(Cc3cccc(OC(C)C)c3F)CC2)c(OC)c1 ZINC001238431520 1042594144 /nfs/dbraw/zinc/59/41/44/1042594144.db2.gz AWKDIBUGMAUCCY-UHFFFAOYSA-N 0 0 388.483 3.952 20 10 GHCDRN CCOc1cc(F)c(F)cc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC001238652820 1042670771 /nfs/dbraw/zinc/67/07/71/1042670771.db2.gz LJJNYLUBQSHDCZ-UHFFFAOYSA-N 0 0 376.447 3.832 20 10 GHCDRN CCOc1ccc(C)c(C[NH+]2CCN(c3ccc(OCCOC)cc3)CC2)c1 ZINC001238710881 1042695874 /nfs/dbraw/zinc/69/58/74/1042695874.db2.gz FTUKQHRJDFODEM-UHFFFAOYSA-N 0 0 384.520 3.741 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC001278289244 1042775289 /nfs/dbraw/zinc/77/52/89/1042775289.db2.gz XRONCSDOMIJXBK-UHFFFAOYSA-N 0 0 396.409 3.845 20 10 GHCDRN CC[C@H](C)c1nnc(N(C)[C@@H]2CCOC2)n1Cc1ccc(N(CC)CC)cc1 ZINC001291435119 1043252783 /nfs/dbraw/zinc/25/27/83/1043252783.db2.gz YIDVPVSSYDIATL-FXAWDEMLSA-N 0 0 385.556 3.911 20 10 GHCDRN CC[C@@H](COCC1CC1)NC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001278943189 1043438202 /nfs/dbraw/zinc/43/82/02/1043438202.db2.gz OBNDKCNCQJXAEN-KRWDZBQOSA-N 0 0 384.520 3.850 20 10 GHCDRN C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1 ZINC000739539879 1043611311 /nfs/dbraw/zinc/61/13/11/1043611311.db2.gz VGOGRLIMGJEEBE-INIZCTEOSA-N 0 0 397.475 3.586 20 10 GHCDRN Cc1ccc(CC(=O)NCc2ccc3c(c2)CCCN3C)cc1Br ZINC001292207045 1043628534 /nfs/dbraw/zinc/62/85/34/1043628534.db2.gz PYHSCGXDXNLZBP-UHFFFAOYSA-N 0 0 387.321 3.999 20 10 GHCDRN CCOC(=O)[C@@H]1CCCCN1C(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001292383110 1043712162 /nfs/dbraw/zinc/71/21/62/1043712162.db2.gz YOLWYMMRZKKGCL-FQEVSTJZSA-N 0 0 396.487 3.773 20 10 GHCDRN CCOC(=O)[C@H]1CCCCN1C(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001292383114 1043712314 /nfs/dbraw/zinc/71/23/14/1043712314.db2.gz YOLWYMMRZKKGCL-HXUWFJFHSA-N 0 0 396.487 3.773 20 10 GHCDRN CC(C)(C)c1cc(NC(=O)Cc2ccc(O)c(O)c2)n(Cc2ccccc2)n1 ZINC001292805104 1043886416 /nfs/dbraw/zinc/88/64/16/1043886416.db2.gz IABJRPZSIQAXHK-UHFFFAOYSA-N 0 0 379.460 3.821 20 10 GHCDRN CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCSc1nccs1 ZINC001292996861 1043977320 /nfs/dbraw/zinc/97/73/20/1043977320.db2.gz HOFZPSFHSJREHV-CYBMUJFWSA-N 0 0 387.571 3.681 20 10 GHCDRN CCOc1ccc(N2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)cc1 ZINC001257427402 1043995479 /nfs/dbraw/zinc/99/54/79/1043995479.db2.gz HRDFACYEGFFMAV-UHFFFAOYSA-N 0 0 377.391 3.594 20 10 GHCDRN CC[C@@H]1C[C@H](C)CN1c1nnc(C(C)C)n1Cc1ccc(N2CCOCC2)cc1 ZINC001293299084 1044098533 /nfs/dbraw/zinc/09/85/33/1044098533.db2.gz TUDOJYONRNFTLZ-AZUAARDMSA-N 0 0 397.567 3.911 20 10 GHCDRN CC/C=C(/F)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC001293794222 1044331041 /nfs/dbraw/zinc/33/10/41/1044331041.db2.gz YESSPMPDIUBYGO-BDBSJLECSA-N 0 0 379.476 3.698 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC001294493134 1044663900 /nfs/dbraw/zinc/66/39/00/1044663900.db2.gz OBYLKOUJUFOCDC-GOSISDBHSA-N 0 0 379.504 3.711 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(-c3ccccc3OC)[nH]c2=O)c1 ZINC001294937470 1044845788 /nfs/dbraw/zinc/84/57/88/1044845788.db2.gz QPLCFCZHNWLJQA-CYBMUJFWSA-N 0 0 394.427 3.668 20 10 GHCDRN CCCO[C@@H]1CCCN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)CC1 ZINC001294994766 1044871820 /nfs/dbraw/zinc/87/18/20/1044871820.db2.gz HQXVBUXFHSFSOT-OAQYLSRUSA-N 0 0 385.556 3.795 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC001295017821 1044884305 /nfs/dbraw/zinc/88/43/05/1044884305.db2.gz NESMGPKTYVEKTL-MRXNPFEDSA-N 0 0 385.533 3.819 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(S(=O)(=O)c2ccc(C)cc2C)C1 ZINC001259099674 1044961404 /nfs/dbraw/zinc/96/14/04/1044961404.db2.gz RVVKPJYNMQHKRL-UHFFFAOYSA-N 0 0 384.501 3.551 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)C(F)(F)c3ccc(OC)cc3)CC2)cc1 ZINC001295275694 1044970184 /nfs/dbraw/zinc/97/01/84/1044970184.db2.gz ZTHOBDFOGFLIAC-UHFFFAOYSA-N 0 0 390.430 3.535 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)[C@]3(C)CCc4ccccc4C3)CC2)cc1 ZINC001295273050 1044970273 /nfs/dbraw/zinc/97/02/73/1044970273.db2.gz UCAQAQYGOWWIFN-XMMPIXPASA-N 0 0 378.516 3.929 20 10 GHCDRN COc1cccc(S(=O)(=O)N[C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)c1 ZINC001259195945 1045001380 /nfs/dbraw/zinc/00/13/80/1045001380.db2.gz XRTBOHDYVCURPC-LJQANCHMSA-N 0 0 375.490 3.620 20 10 GHCDRN Cc1ncc([N+](=O)[O-])n1CC(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC001295595843 1045063316 /nfs/dbraw/zinc/06/33/16/1045063316.db2.gz XYCMHIHHBPEISU-OAHLLOKOSA-N 0 0 394.431 3.595 20 10 GHCDRN Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)CC3 ZINC001295684218 1045099599 /nfs/dbraw/zinc/09/95/99/1045099599.db2.gz WCKNRMXMXKPJEF-OAHLLOKOSA-N 0 0 375.432 3.926 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001296364837 1045303854 /nfs/dbraw/zinc/30/38/54/1045303854.db2.gz DWEZQSDIINDJDW-MRXNPFEDSA-N 0 0 379.485 3.691 20 10 GHCDRN COCCn1cc(CNC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)cn1 ZINC001296838036 1045385872 /nfs/dbraw/zinc/38/58/72/1045385872.db2.gz RXUIVBOMZGDLIU-UHFFFAOYSA-N 0 0 394.519 3.990 20 10 GHCDRN CC(=O)c1cc(NS(=O)(=O)c2ccc(Oc3ccccn3)cc2)ccc1O ZINC001260146822 1045396607 /nfs/dbraw/zinc/39/66/07/1045396607.db2.gz GNLHENXHTTWWBF-UHFFFAOYSA-N 0 0 384.413 3.583 20 10 GHCDRN C[C@H](NS(=O)(=O)c1ccc(Oc2ccccn2)cc1)c1ccc(N(C)C)cc1 ZINC001260151470 1045400156 /nfs/dbraw/zinc/40/01/56/1045400156.db2.gz WENAUHSUNDIIRI-INIZCTEOSA-N 0 0 397.500 3.979 20 10 GHCDRN CCO[C@H]1CCCN(c2nnc(C(C)C)n2Cc2ccc(N(C)C)c(F)c2)C1 ZINC001296966680 1045409727 /nfs/dbraw/zinc/40/97/27/1045409727.db2.gz VACDZWSEHFQWSM-KRWDZBQOSA-N 0 0 389.519 3.660 20 10 GHCDRN COc1cc(O)ccc1NS(=O)(=O)c1c(C)c2c(c(C)c1C)OC(C)(C)C2 ZINC001260246641 1045426865 /nfs/dbraw/zinc/42/68/65/1045426865.db2.gz FTWYBRPQUFFURL-UHFFFAOYSA-N 0 0 391.489 3.840 20 10 GHCDRN Cc1c2c(c(C)c(S(=O)(=O)NCc3ccccc3O)c1C)CC(C)(C)O2 ZINC001260247631 1045427474 /nfs/dbraw/zinc/42/74/74/1045427474.db2.gz RASXBZFREIRUKG-UHFFFAOYSA-N 0 0 375.490 3.509 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](CO)CC2CCCCC2)c1 ZINC001299663437 1045434403 /nfs/dbraw/zinc/43/44/03/1045434403.db2.gz QYJVQSQPVIYWLI-NRFANRHFSA-N 0 0 382.504 3.968 20 10 GHCDRN CCOCc1nnc(N2CCCC3(CC3)C2)n1CCCSc1nccs1 ZINC001297236429 1045482683 /nfs/dbraw/zinc/48/26/83/1045482683.db2.gz IKQWFZCOZXIUGU-UHFFFAOYSA-N 0 0 393.582 3.834 20 10 GHCDRN CN(C)c1ccc(CN(C)S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC001260895217 1045749719 /nfs/dbraw/zinc/74/97/19/1045749719.db2.gz GCKBOVIFTWNGPL-UHFFFAOYSA-N 0 0 386.439 3.733 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc(CC(C)(C)C)n1C[C@](C)(O)c1ccco1 ZINC001298364043 1045785630 /nfs/dbraw/zinc/78/56/30/1045785630.db2.gz SGAMWMCOCXURES-QFIPXVFZSA-N 0 0 398.507 3.709 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc(-c2cccn2C)n1CC[C@H]1C[C@H](F)C1 ZINC001298363928 1045785993 /nfs/dbraw/zinc/78/59/93/1045785993.db2.gz OTIGBXBBXUJERT-JCNLHEQBSA-N 0 0 383.471 3.764 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C[C@@H]2CCCO2)c2ccnnc2)cc1 ZINC001262103806 1046188299 /nfs/dbraw/zinc/18/82/99/1046188299.db2.gz HNIOUDSCHKDCFU-NRFANRHFSA-N 0 0 376.460 3.710 20 10 GHCDRN Cc1cccc2c(=O)[nH]c(C(Cl)=Cc3ccc(N4CCOCC4)cc3)nc12 ZINC000747201177 1046805598 /nfs/dbraw/zinc/80/55/98/1046805598.db2.gz QAXGBFAHHBIJNZ-QGOAFFKASA-N 0 0 381.863 3.805 20 10 GHCDRN CC[C@@H](C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C)N1CCO[C@@H](CC)C1 ZINC001302263873 1046891284 /nfs/dbraw/zinc/89/12/84/1046891284.db2.gz YPMUDXGXYIBYIG-GOTSBHOMSA-N 0 0 397.563 3.908 20 10 GHCDRN CON(C)c1nnc(-c2ccccn2)n1Cc1ccc(N2CCC(C)CC2)cc1 ZINC001302338750 1046914091 /nfs/dbraw/zinc/91/40/91/1046914091.db2.gz HWNIFQFVAFUGGM-UHFFFAOYSA-N 0 0 392.507 3.622 20 10 GHCDRN C[C@H]1CCCN(c2nnc(C3Sc4ncccc4C3=O)n2C[C@H]2CCOC2)C1 ZINC001263532284 1046926585 /nfs/dbraw/zinc/92/65/85/1046926585.db2.gz LLRGYLCEAIHRGE-UONOGXRCSA-N 0 0 399.520 3.533 20 10 GHCDRN C[C@H](NC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1)c1ccccc1O ZINC001302532686 1046967184 /nfs/dbraw/zinc/96/71/84/1046967184.db2.gz OWOGCQXZMSMNJY-QFBILLFUSA-N 0 0 382.460 3.761 20 10 GHCDRN CC(C)c1nnc(N2CCOC3(CCC3)C2)n1CCCSc1nccs1 ZINC001302712537 1047058150 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389.293 3.933 20 10 GHCDRN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1c2nonc2ccc1Cl ZINC001324856516 1057237214 /nfs/dbraw/zinc/23/72/14/1057237214.db2.gz CBTBZBCGVCXRBF-UHFFFAOYSA-N 0 0 375.860 3.917 20 10 GHCDRN CC[C@H]1NC(=O)N(c2cccc(NCc3ccc(N4CCCC4)cc3)c2)C1=O ZINC001325010941 1057262921 /nfs/dbraw/zinc/26/29/21/1057262921.db2.gz HCFBQWIPNNWNCD-HXUWFJFHSA-N 0 0 378.476 3.734 20 10 GHCDRN CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC001355908898 1057311696 /nfs/dbraw/zinc/31/16/96/1057311696.db2.gz AKGKFNOCXSVFNV-NRFANRHFSA-N 0 0 397.519 3.506 20 10 GHCDRN CC(C)(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1F ZINC001356036558 1057364922 /nfs/dbraw/zinc/36/49/22/1057364922.db2.gz JVLFAGOWTNUXBJ-UHFFFAOYSA-N 0 0 392.421 3.535 20 10 GHCDRN Cc1cnc(NCc2ccc(N3CCN(C)CC3)c(F)c2)c(Br)c1 ZINC001325872602 1057377190 /nfs/dbraw/zinc/37/71/90/1057377190.db2.gz YTELHAPZXDMMIZ-UHFFFAOYSA-N 0 0 393.304 3.656 20 10 GHCDRN Cc1cc(C(=O)N(CCC(N)=O)c2ccccc2)c(C)n1-c1ccccc1C ZINC001326044089 1057402190 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Nc1ccc(CNC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC001338793680 1058791286 /nfs/dbraw/zinc/79/12/86/1058791286.db2.gz ROLQIQQCBFHSHE-SFHVURJKSA-N 0 0 377.448 3.756 20 10 GHCDRN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2cc3cc(O)c(O)cc3s2)c1 ZINC001441588953 1058821312 /nfs/dbraw/zinc/82/13/12/1058821312.db2.gz HIJPDQLYLZZCML-GFCCVEGCSA-N 0 0 398.484 3.771 20 10 GHCDRN Cc1c2ccccc2[nH]c(=O)c1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC001442414580 1058959932 /nfs/dbraw/zinc/95/99/32/1058959932.db2.gz VPKILLXLLWKDFS-MRXNPFEDSA-N 0 0 391.471 3.576 20 10 GHCDRN O=C(Nc1cc(F)cc(N2CCOCC2)c1)c1cc2cc(O)c(O)cc2s1 ZINC001442577170 1058978756 /nfs/dbraw/zinc/97/87/56/1058978756.db2.gz PXVKZRCEUAZSBB-UHFFFAOYSA-N 0 0 388.420 3.541 20 10 GHCDRN COC(=O)C1(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC2(CCC2)C1 ZINC001443667961 1059170917 /nfs/dbraw/zinc/17/09/17/1059170917.db2.gz SYWOLVJFQHLRDU-UHFFFAOYSA-N 0 0 384.520 3.663 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCCN2C(=O)CC(C)C)cc1F ZINC001443753584 1059191816 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O=C(NCc1c(O)cccc1F)c1ccccc1OCCOc1ccccc1 ZINC001456082190 1062471162 /nfs/dbraw/zinc/47/11/62/1062471162.db2.gz AHCBALCNQHIVDA-UHFFFAOYSA-N 0 0 381.403 3.919 20 10 GHCDRN CCOC(=O)c1cc(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)cn1C ZINC001435356242 1062536986 /nfs/dbraw/zinc/53/69/86/1062536986.db2.gz VHSXCGGBDCENFX-UHFFFAOYSA-N 0 0 379.460 3.791 20 10 GHCDRN Cc1cc2c(cc1Br)CN(C(=O)/C=C\c1ccc(O)c(O)c1)CC2 ZINC001456200042 1062551535 /nfs/dbraw/zinc/55/15/35/1062551535.db2.gz VKWPVKBTRBRWNC-HYXAFXHYSA-N 0 0 388.261 3.767 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1[nH]ccc1-c1ccccc1 ZINC001347781121 1062659374 /nfs/dbraw/zinc/65/93/74/1062659374.db2.gz BDSJYHZDFRJZRC-UHFFFAOYSA-N 0 0 375.472 3.791 20 10 GHCDRN COc1ccc([C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C2CC2)cn1 ZINC001348089309 1062913722 /nfs/dbraw/zinc/91/37/22/1062913722.db2.gz HWQNOMXAUUZDLG-OAQYLSRUSA-N 0 0 380.492 3.641 20 10 GHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@]12CCO[C@H]1CCCC2 ZINC001457106460 1062979738 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391.899 3.635 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC001471317725 1073016543 /nfs/dbraw/zinc/01/65/43/1073016543.db2.gz CHEPGLPCXRAYLY-IAGOWNOFSA-N 0 0 387.446 3.784 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CCO[C@H](c2ccncc2)C1 ZINC001478916585 1079025173 /nfs/dbraw/zinc/02/51/73/1079025173.db2.gz VIHKVNPVGSYHHM-IRLDBZIGSA-N 0 0 394.519 3.744 20 10 GHCDRN CCOCCOC1CN(C(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)C1 ZINC001546223005 1079040329 /nfs/dbraw/zinc/04/03/29/1079040329.db2.gz SHNMBILLHCQEJD-UHFFFAOYSA-N 0 0 376.884 3.625 20 10 GHCDRN Cc1cc(C(=O)NCc2cccc(O)c2O)nn1-c1ccc(Cl)c(Cl)c1 ZINC001471642285 1073167210 /nfs/dbraw/zinc/16/72/10/1073167210.db2.gz RBEHXNJRQYLGAM-UHFFFAOYSA-N 0 0 392.242 3.829 20 10 GHCDRN O=C(NCc1cccc(O)c1O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC001471644578 1073167808 /nfs/dbraw/zinc/16/78/08/1073167808.db2.gz VRQRCLPLRRLVPW-UHFFFAOYSA-N 0 0 378.215 3.520 20 10 GHCDRN COC(=O)C[C@H](CNC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C)C1CC1 ZINC001478976217 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GHCDRN COC(=O)C=Cc1ccc(N(C)Cc2cc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1 ZINC001472897609 1073717406 /nfs/dbraw/zinc/71/74/06/1073717406.db2.gz QVIBRRSYBZTLCS-PKNBQFBNSA-N 0 0 392.415 3.808 20 10 GHCDRN COC(=O)c1cnc(SCCCCOc2c(OC)cccc2OC)s1 ZINC001473035392 1073756701 /nfs/dbraw/zinc/75/67/01/1073756701.db2.gz NGAMTGBPRVTQFO-UHFFFAOYSA-N 0 0 383.491 3.898 20 10 GHCDRN COCCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(OC)c(OC)c1 ZINC001473227204 1073874568 /nfs/dbraw/zinc/87/45/68/1073874568.db2.gz DZOCOUYYUFDPPL-QGZVFWFLSA-N 0 0 394.512 3.556 20 10 GHCDRN COc1ccc(N(CCC(C)C)Cc2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC001473445177 1073965876 /nfs/dbraw/zinc/96/58/76/1073965876.db2.gz BLKXXKHCONKGJQ-UHFFFAOYSA-N 0 0 390.549 3.998 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1CCCCCN1C(=O)OC(C)(C)C ZINC001479507136 1079221823 /nfs/dbraw/zinc/22/18/23/1079221823.db2.gz HDMVQAROBCZUIR-QGZVFWFLSA-N 0 0 391.512 3.713 20 10 GHCDRN Cc1cccc(C)c1CN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001479532998 1079223971 /nfs/dbraw/zinc/22/39/71/1079223971.db2.gz HHTKQZLSBKXRTA-QFIPXVFZSA-N 0 0 382.552 3.814 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001479575089 1079233131 /nfs/dbraw/zinc/23/31/31/1079233131.db2.gz BIHIXRUGOKBGFL-MRXNPFEDSA-N 0 0 391.512 3.571 20 10 GHCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]CC[C@H]1CCCCO1 ZINC001474083445 1074258311 /nfs/dbraw/zinc/25/83/11/1074258311.db2.gz BPQAHORJTWTNLJ-GFCCVEGCSA-N 0 0 393.119 3.966 20 10 GHCDRN CN(C)c1cc(F)c(CN[C@](C)(CO)c2cccc(Br)c2)cc1F ZINC001474291248 1074327520 /nfs/dbraw/zinc/32/75/20/1074327520.db2.gz BSFWKZXBAIQBKN-GOSISDBHSA-N 0 0 399.279 3.791 20 10 GHCDRN COc1cc(CN(C)Cc2cnn(-c3ccccc3)n2)c(O)c(C(C)(C)C)c1 ZINC001474361400 1074363295 /nfs/dbraw/zinc/36/32/95/1074363295.db2.gz QDKGMLJKBAGYDP-UHFFFAOYSA-N 0 0 380.492 3.911 20 10 GHCDRN CCC(CC)(C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C(=O)OC(C)(C)C ZINC001474593312 1074475685 /nfs/dbraw/zinc/47/56/85/1074475685.db2.gz UGCPDVJMUMBGPD-UHFFFAOYSA-N 0 0 382.457 3.547 20 10 GHCDRN O=C([N-][C@@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001474634400 1074492516 /nfs/dbraw/zinc/49/25/16/1074492516.db2.gz FTTPRCRIYFRSQQ-IAGOWNOFSA-N 0 0 396.384 3.568 20 10 GHCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(OC)c(C)c2C)cc1F ZINC001474954008 1074650328 /nfs/dbraw/zinc/65/03/28/1074650328.db2.gz RWVCMUMTUIYLMG-UHFFFAOYSA-N 0 0 394.512 3.776 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC001475402793 1074862821 /nfs/dbraw/zinc/86/28/21/1074862821.db2.gz KTVSRMURZAGVFD-ZDUSSCGKSA-N 0 0 384.904 3.763 20 10 GHCDRN Cc1cc(CNS(=O)(=O)C2Cc3ccccc3C2)c(C)n1-c1cccc(C)c1 ZINC001475567411 1074916282 /nfs/dbraw/zinc/91/62/82/1074916282.db2.gz YWWUXPYNORFSME-UHFFFAOYSA-N 0 0 394.540 3.989 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1ccc(Br)nc1 ZINC001476255080 1075111563 /nfs/dbraw/zinc/11/15/63/1075111563.db2.gz FJDBIBCMMMABHU-CYBMUJFWSA-N 0 0 391.313 3.971 20 10 GHCDRN Cc1cc(NC(=O)NCc2ccc3c(c2)CCCN3C)cnc1Br ZINC001476322893 1075124879 /nfs/dbraw/zinc/12/48/79/1075124879.db2.gz ZRKJSABDKGVGDO-UHFFFAOYSA-N 0 0 389.297 3.857 20 10 GHCDRN CC[C@H](C)c1nnc(N2CCCO[C@@H](C)C2)n1Cc1ccc(N(C)C)cc1C ZINC001495656080 1079426759 /nfs/dbraw/zinc/42/67/59/1079426759.db2.gz WLTOHDNFQAWARZ-WMZOPIPTSA-N 0 0 385.556 3.830 20 10 GHCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@](C)(Cc2ccc(F)cc2)C(=O)[O-])c1O ZINC001603103285 1126227204 /nfs/dbraw/zinc/22/72/04/1126227204.db2.gz LADZEMUTHXENDB-LJQANCHMSA-N 0 0 379.815 3.563 20 10 GHCDRN C[C@@H](c1cccs1)N1C(=O)C(=Cc2ccc(-c3nn[nH]n3)cc2)SC1=S ZINC000736204442 598359198 /nfs/dbraw/zinc/35/91/98/598359198.db2.gz RWBCUTZIRDKTOJ-ADVUTCEVSA-N 0 0 399.526 3.891 20 10 GHCDRN Cc1cc(C(=O)N(CC(C)C)C(C)C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737227461 598611991 /nfs/dbraw/zinc/61/19/91/598611991.db2.gz MXFGJQULSTUTPU-UHFFFAOYSA-N 0 0 380.496 3.781 20 10 GHCDRN O=C1C(=Cc2ccc(-c3nn[nH]n3)o2)SC(=S)N1c1ccccc1Cl ZINC000823504488 599309832 /nfs/dbraw/zinc/30/98/32/599309832.db2.gz QVTLFOMTBCMUJS-GHXNOFRVSA-N 0 0 389.849 3.519 20 10 GHCDRN CC[C@@H]1C[C@H](C)CN1C(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000820966388 599655863 /nfs/dbraw/zinc/65/58/63/599655863.db2.gz DOXQLRJVLNJTRB-SUMWQHHRSA-N 0 0 378.480 3.535 20 10 GHCDRN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)c1O ZINC000740096199 600125503 /nfs/dbraw/zinc/12/55/03/600125503.db2.gz GCMCQCLMXGKYGX-FQEVSTJZSA-N 0 0 381.403 3.956 20 10 GHCDRN O=C([O-])[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1 ZINC000833167208 600759858 /nfs/dbraw/zinc/75/98/58/600759858.db2.gz KOPAHTJYBCAHTC-YJBOKZPZSA-N 0 0 376.403 3.672 20 10 GHCDRN O=C([O-])N[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)c2ccccc21 ZINC000834158445 605792728 /nfs/dbraw/zinc/79/27/28/605792728.db2.gz NSGHBTCKSOQWRK-PMACEKPBSA-N 0 0 383.517 3.783 20 10 GHCDRN Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nn[nH]n4)s3)SC2=S)c1 ZINC000822308280 606394030 /nfs/dbraw/zinc/39/40/30/606394030.db2.gz BNZBVICKCGFYSY-JYRVWZFOSA-N 0 0 385.499 3.642 20 10 GHCDRN Cc1ccc(C)c(N2C(=O)C(=Cc3ccc(-c4nn[nH]n4)s3)SC2=S)c1 ZINC000822231911 606394124 /nfs/dbraw/zinc/39/41/24/606394124.db2.gz MHCAJMBZKJQEAK-ZSOIEALJSA-N 0 0 399.526 3.951 20 10 GHCDRN Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O ZINC000255887790 837404770 /nfs/dbraw/zinc/40/47/70/837404770.db2.gz GZSNYFAFUMWZDF-LYASGUKUSA-N 0 0 392.459 3.854 20 10 GHCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)/C=C\c2cncc(F)c2)cc1 ZINC000255925311 837497261 /nfs/dbraw/zinc/49/72/61/837497261.db2.gz UUPQLYOCGZKFAI-PWYGHMFVSA-N 0 0 383.467 3.508 20 10 GHCDRN COC(=O)CSCC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000023634553 837530294 /nfs/dbraw/zinc/53/02/94/837530294.db2.gz XHHNFKANARXTMW-UHFFFAOYSA-N 0 0 396.306 3.946 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3cc(F)ccc3OC(F)F)CC2)cc1 ZINC000178016007 837561693 /nfs/dbraw/zinc/56/16/93/837561693.db2.gz RETCKOUCIOAVNS-UHFFFAOYSA-N 0 0 395.381 3.790 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000173186553 837591695 /nfs/dbraw/zinc/59/16/95/837591695.db2.gz MBNGCSYQPMGODF-UHFFFAOYSA-N 0 0 382.851 3.631 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC000173193637 837593586 /nfs/dbraw/zinc/59/35/86/837593586.db2.gz MZFNDZKPHVLLQT-UHFFFAOYSA-N 0 0 397.475 3.978 20 10 GHCDRN CO[C@@H](C)c1nc(C)c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000175267808 834423255 /nfs/dbraw/zinc/42/32/55/834423255.db2.gz PWVDFYNLIVAIPI-GOEBONIOSA-N 0 0 390.505 3.686 20 10 GHCDRN COc1ccc(N2CCCN([C@H](C)C(=O)Nc3cc(F)ccc3F)CC2)cc1 ZINC000052466943 834761034 /nfs/dbraw/zinc/76/10/34/834761034.db2.gz QTMQNGOLJVRFCW-OAHLLOKOSA-N 0 0 389.446 3.513 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)CSc2nnc(-c3ccccc3)o2)cc1 ZINC000007239225 835065802 /nfs/dbraw/zinc/06/58/02/835065802.db2.gz UACJVLOCJNCGFB-UHFFFAOYSA-N 0 0 382.489 3.553 20 10 GHCDRN CN(CC(=O)N[C@H]1CCOc2ccccc21)Cc1ccc(N2CCCCC2)cc1 ZINC000052686790 835260739 /nfs/dbraw/zinc/26/07/39/835260739.db2.gz VWMZZLRJWIJCBN-QFIPXVFZSA-N 0 0 393.531 3.749 20 10 GHCDRN 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CCN(CC)c1ccc(CNC(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1F ZINC000066952742 843434110 /nfs/dbraw/zinc/43/41/10/843434110.db2.gz BCXCFOIKQFINFE-UHFFFAOYSA-N 0 0 386.471 3.976 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccc(NC(=O)N(C)C)cc1 ZINC000474913422 861424672 /nfs/dbraw/zinc/42/46/72/861424672.db2.gz OLIYMWCSYKDEKH-UHFFFAOYSA-N 0 0 393.491 3.580 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCc4ncncc4C3)cc2Cl)C1 ZINC000843589766 843536069 /nfs/dbraw/zinc/53/60/69/843536069.db2.gz KVLPAXTZACHUAY-NVXWUHKLSA-N 0 0 398.938 3.788 20 10 GHCDRN O=C(Cc1ccc(NCc2cc(Cl)ccc2O)cc1)N1CCSCC1 ZINC000126087516 843559890 /nfs/dbraw/zinc/55/98/90/843559890.db2.gz AWNBZKZPCSJASW-UHFFFAOYSA-N 0 0 376.909 3.776 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000276926700 843787679 /nfs/dbraw/zinc/78/76/79/843787679.db2.gz UNYKCBSJSFSVCY-AWEZNQCLSA-N 0 0 397.475 3.523 20 10 GHCDRN C[C@@H](COCC(F)(F)F)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000731116664 861476672 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/nfs/dbraw/zinc/19/12/92/880191292.db2.gz QVIYBFXQQUMLCG-FQEVSTJZSA-N 0 0 399.922 3.513 20 10 GHCDRN C[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@@H](c2ccccc2)O1 ZINC000746981190 880221623 /nfs/dbraw/zinc/22/16/23/880221623.db2.gz PFRZTOVJPZWXOS-JTSKRJEESA-N 0 0 379.504 3.741 20 10 GHCDRN CCN(C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)[C@@H](C)CS(=O)(=O)CC ZINC000112957756 880228076 /nfs/dbraw/zinc/22/80/76/880228076.db2.gz NHUIHKDFHXXFLY-HNNXBMFYSA-N 0 0 394.512 3.519 20 10 GHCDRN C[C@H](Nc1ccc(N2CCOCC2)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000776793657 880254174 /nfs/dbraw/zinc/25/41/74/880254174.db2.gz ZVESHCFEQFQQMM-KRWDZBQOSA-N 0 0 385.483 3.672 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1cccc(C)c1 ZINC000791248868 880282279 /nfs/dbraw/zinc/28/22/79/880282279.db2.gz ACKHTWWBBUUHQR-UHFFFAOYSA-N 0 0 382.504 3.926 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3cc(OC)c(C(C)C)c(OC)c3)C2)cc1 ZINC000855224592 880368673 /nfs/dbraw/zinc/36/86/73/880368673.db2.gz GFRCUFJDAFTDQT-KRWDZBQOSA-N 0 0 398.503 3.845 20 10 GHCDRN C/C=C\COc1cccc(CC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000855225771 880369836 /nfs/dbraw/zinc/36/98/36/880369836.db2.gz MDKHKKLXPPWQCW-LLHWWHOWSA-N 0 0 380.488 3.588 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(Cl)c(N)c3Cl)C2)cc1 ZINC000855226921 880370791 /nfs/dbraw/zinc/37/07/91/880370791.db2.gz UROSXODGIGAYEM-LLVKDONJSA-N 0 0 380.275 3.593 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000855228378 880373380 /nfs/dbraw/zinc/37/33/80/880373380.db2.gz BFHGKAPMNCLHCG-MRXNPFEDSA-N 0 0 378.394 3.652 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)[C@H](C)Oc3ccc(SC)cc3)C2)cc1 ZINC000855230700 880375409 /nfs/dbraw/zinc/37/54/09/880375409.db2.gz IDQGBMYBOMTLLW-HOTGVXAUSA-N 0 0 386.517 3.580 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3F)C2)cc1 ZINC000855230298 880375423 /nfs/dbraw/zinc/37/54/23/880375423.db2.gz FWALNMUBVVHNFZ-LBPRGKRZSA-N 0 0 382.357 3.862 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)/C=C(\C)Cc3ccccc3OC)C2)cc1 ZINC000855231094 880375711 /nfs/dbraw/zinc/37/57/11/880375711.db2.gz JRQFBTRIHNIIIH-LQATUXICSA-N 0 0 380.488 3.588 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3sccc3Br)C2)cc1 ZINC000855233312 880377631 /nfs/dbraw/zinc/37/76/31/880377631.db2.gz XCXQKVDUQZUQAK-NSHDSACASA-N 0 0 381.295 3.528 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cccc([C@H]4CCCOC4)c3)C2)cc1 ZINC000855233376 880377691 /nfs/dbraw/zinc/37/76/91/880377691.db2.gz GNQRPXTYQAIIAU-VQTJNVASSA-N 0 0 380.488 3.598 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3c(C)onc3-c3ccc(F)cc3)C2)cc1 ZINC000855233358 880378182 /nfs/dbraw/zinc/37/81/82/880378182.db2.gz XNGYAFWKPUQTPQ-QGZVFWFLSA-N 0 0 395.434 3.806 20 10 GHCDRN COC[C@@H](NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C)C1CCOCC1 ZINC000855290352 880407331 /nfs/dbraw/zinc/40/73/31/880407331.db2.gz WJUXOZLNJVKSII-HXUWFJFHSA-N 0 0 390.911 3.919 20 10 GHCDRN Cc1cc(C)c(NC(=O)COC(=O)/C=C/c2ccc(O)c(O)c2)c(Cl)c1 ZINC000772775793 880522510 /nfs/dbraw/zinc/52/25/10/880522510.db2.gz ONXFRVZTLFSSAC-GQCTYLIASA-N 0 0 375.808 3.563 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3C[C@@H](O)c4ccccc43)ccc21 ZINC000855723189 880698875 /nfs/dbraw/zinc/69/88/75/880698875.db2.gz HUSCEGIMRISLBS-RBBKRZOGSA-N 0 0 378.472 3.813 20 10 GHCDRN COc1cc(NC(=O)NCc2ccc(N(C)C)cc2C)cc(-n2cccn2)c1 ZINC000791968972 880807406 /nfs/dbraw/zinc/80/74/06/880807406.db2.gz LXKRYAVPYRGONA-UHFFFAOYSA-N 0 0 379.464 3.577 20 10 GHCDRN Cc1cc(C(=O)OC[C@H]2CCCS(=O)(=O)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000791990764 880830527 /nfs/dbraw/zinc/83/05/27/880830527.db2.gz KAGDDQPNKITEPR-GOSISDBHSA-N 0 0 389.517 3.693 20 10 GHCDRN COc1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc(-n2cccn2)c1 ZINC000791968401 880845563 /nfs/dbraw/zinc/84/55/63/880845563.db2.gz GQGKQVBYJFSNGN-UHFFFAOYSA-N 0 0 391.475 3.803 20 10 GHCDRN CCc1ccc(-c2noc([C@@H](C)NCc3ccc(N4CCOCC4)cc3)n2)cc1 ZINC000792178848 880966475 /nfs/dbraw/zinc/96/64/75/880966475.db2.gz DLKQIPYNJURFJZ-QGZVFWFLSA-N 0 0 392.503 3.986 20 10 GHCDRN Cc1cc(Br)c(O)c(CN2CCO[C@@H](COc3ccccc3)C2)c1 ZINC000792189093 880977993 /nfs/dbraw/zinc/97/79/93/880977993.db2.gz QCKLWIZKIOEDFW-QGZVFWFLSA-N 0 0 392.293 3.743 20 10 GHCDRN C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccc(NC(=O)c2ccncc2)cc1 ZINC000113955025 880990659 /nfs/dbraw/zinc/99/06/59/880990659.db2.gz PSOBPSFWJCMMAK-AWEZNQCLSA-N 0 0 392.415 3.799 20 10 GHCDRN Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1C ZINC000856209221 881042717 /nfs/dbraw/zinc/04/27/17/881042717.db2.gz ISXPNEARZNNGNM-XZOQPEGZSA-N 0 0 378.516 3.684 20 10 GHCDRN O=C(Cc1cc2cc(Cl)ccc2[nH]1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856209530 881043052 /nfs/dbraw/zinc/04/30/52/881043052.db2.gz RGLQSCBIICGCEQ-UHFFFAOYSA-N 0 0 397.906 3.641 20 10 GHCDRN O=C(Cc1ccc(C(F)(F)F)cc1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856210133 881043708 /nfs/dbraw/zinc/04/37/08/881043708.db2.gz ONJYQSRAKRSUBS-UHFFFAOYSA-N 0 0 392.421 3.525 20 10 GHCDRN Cc1cc(C)cc(C2(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)CC2)c1 ZINC000856210847 881044325 /nfs/dbraw/zinc/04/43/25/881044325.db2.gz SLANBOIVHBIREU-UHFFFAOYSA-N 0 0 378.516 3.613 20 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/nfs/dbraw/zinc/11/74/77/881117477.db2.gz DEKBAUUMCFONAV-KRWDZBQOSA-N 0 0 395.272 3.732 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)N[C@@H]3CCc4cc(C)ccc43)CC2)cc1 ZINC000919920392 881187017 /nfs/dbraw/zinc/18/70/17/881187017.db2.gz URARNCCYWSQYEQ-JOCHJYFZSA-N 0 0 379.504 3.913 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)cc1 ZINC000772801386 881235850 /nfs/dbraw/zinc/23/58/50/881235850.db2.gz XJJBJNHTYRIQPF-QGZVFWFLSA-N 0 0 397.445 3.711 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(Br)s2)c1 ZINC000103508154 881241741 /nfs/dbraw/zinc/24/17/41/881241741.db2.gz RACXXFOOSYGECY-SECBINFHSA-N 0 0 385.283 3.785 20 10 GHCDRN CC(C)c1c(C(=O)NCc2ccc(N(C)C)c(F)c2)cnn1-c1ccccn1 ZINC000116151361 883158157 /nfs/dbraw/zinc/15/81/57/883158157.db2.gz BBWPJXXDVCWYPG-UHFFFAOYSA-N 0 0 381.455 3.526 20 10 GHCDRN C[C@H](CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(F)(F)F ZINC000858576157 883210317 /nfs/dbraw/zinc/21/03/17/883210317.db2.gz IEHLFHWTMQRIKF-LLVKDONJSA-N 0 0 398.347 3.747 20 10 GHCDRN Cc1ccc(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c(O)c1O ZINC000182850734 883245065 /nfs/dbraw/zinc/24/50/65/883245065.db2.gz XXVCPXWUASVRAR-SNVBAGLBSA-N 0 0 386.395 3.901 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)[C@@H]3[C@@H]4Cc5c(cccc5Cl)[C@@H]43)CC2)cc1 ZINC000858667615 883269159 /nfs/dbraw/zinc/26/91/59/883269159.db2.gz UTTJLSPZFKXTCR-BAGYTPMASA-N 0 0 396.918 3.973 20 10 GHCDRN Cc1nc2ccc(C(=O)NCc3cc(Br)ccc3O)cc2nc1C ZINC000804733737 883316641 /nfs/dbraw/zinc/31/66/41/883316641.db2.gz LSRIBRCIRCKIDF-UHFFFAOYSA-N 0 0 386.249 3.645 20 10 GHCDRN CC(C)c1ccccc1OCC(=O)NCc1cc(Br)ccc1O ZINC000804736821 883320666 /nfs/dbraw/zinc/32/06/66/883320666.db2.gz AGZXMZPTEHMVNZ-UHFFFAOYSA-N 0 0 378.266 3.973 20 10 GHCDRN CC[C@@H](C)Oc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000175143150 883338375 /nfs/dbraw/zinc/33/83/75/883338375.db2.gz JJSXLNTUNHQYPN-GOSISDBHSA-N 0 0 382.504 3.973 20 10 GHCDRN CCOc1cccc(/C=C\C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000858785251 883356328 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COc1cccc(CNC(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)c1O ZINC000116503246 883550436 /nfs/dbraw/zinc/55/04/36/883550436.db2.gz MVRVUMQYCNWQLX-MHZLTWQESA-N 0 0 390.505 3.770 20 10 GHCDRN O=S(=O)(c1ccc(C(F)F)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000805009271 883551132 /nfs/dbraw/zinc/55/11/32/883551132.db2.gz NXPVFGLGJZBUBK-MRXNPFEDSA-N 0 0 397.443 3.700 20 10 GHCDRN CCC[C@H](NC(=O)NCc1cc(Br)ccc1O)c1ccccn1 ZINC000805068766 883573290 /nfs/dbraw/zinc/57/32/90/883573290.db2.gz GMRLUASQIAHOEV-HNNXBMFYSA-N 0 0 378.270 3.890 20 10 GHCDRN Cc1csc(-c2nnc(N(C)Cc3ccccc3O)n2C[C@H]2CCOC2)c1 ZINC000859137717 883610439 /nfs/dbraw/zinc/61/04/39/883610439.db2.gz BUVCTPHYLMGCKA-OAHLLOKOSA-N 0 0 384.505 3.694 20 10 GHCDRN c1csc(CN(CCOC2CCOCC2)c2ccc3c(c2)OCCO3)c1 ZINC000859185620 883645835 /nfs/dbraw/zinc/64/58/35/883645835.db2.gz OZJAZHOVONLSLV-UHFFFAOYSA-N 0 0 375.490 3.722 20 10 GHCDRN COc1ccc(N2C(=O)/C(=C\c3cccc(-n4cccn4)c3)SC2=S)cn1 ZINC000760215399 883646422 /nfs/dbraw/zinc/64/64/22/883646422.db2.gz 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GHCDRN CCn1nc(C)c(CNCc2ccc(N3CCCCC3)c(Br)c2)n1 ZINC000818220539 896086230 /nfs/dbraw/zinc/08/62/30/896086230.db2.gz HQQZYRVPSXUURU-UHFFFAOYSA-N 0 0 392.345 3.649 20 10 GHCDRN CCC[C@H](NC(=O)[C@H](C)n1cc(COc2ccc(N)cc2)nn1)c1ccccc1 ZINC000881059768 896108846 /nfs/dbraw/zinc/10/88/46/896108846.db2.gz FJWUAWGWQAVLSQ-KKSFZXQISA-N 0 0 393.491 3.658 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](c2nccs2)C(F)(F)F)c(C)n1-c1ccccn1 ZINC000818322330 896113692 /nfs/dbraw/zinc/11/36/92/896113692.db2.gz NISCTXNINRVNPQ-AWEZNQCLSA-N 0 0 380.395 3.979 20 10 GHCDRN CCCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H]1CCC[C@H](C)C1 ZINC000818801488 896242961 /nfs/dbraw/zinc/24/29/61/896242961.db2.gz APUKRMUZFYIQQD-HOCLYGCPSA-N 0 0 382.526 3.585 20 10 GHCDRN CC1CCN(c2ccc(N3C(=O)CN(Cc4ccccc4O)C3=O)cc2)CC1 ZINC000819009678 896325389 /nfs/dbraw/zinc/32/53/89/896325389.db2.gz QHCLIMCURLDNBX-UHFFFAOYSA-N 0 0 379.460 3.597 20 10 GHCDRN CCOc1ccc(Br)cc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000129033064 896345008 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KKLSRLLZEMXLOQ-UHFFFAOYSA-N 0 0 395.908 3.648 20 10 GHCDRN CCc1cccc(CC)c1NC(=O)CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000125698328 902239260 /nfs/dbraw/zinc/23/92/60/902239260.db2.gz LRWKCXYPWKFFKJ-UHFFFAOYSA-N 0 0 386.492 3.912 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)Cc3c(C)nn(CC4CC4)c3C)C2)cc1 ZINC000845611229 902291902 /nfs/dbraw/zinc/29/19/02/902291902.db2.gz KHPDZGIPGLMPMR-IBGZPJMESA-N 0 0 397.519 3.531 20 10 GHCDRN O=C(NCCC[C@@H]1CC1(Cl)Cl)NCc1cc(Br)ccc1O ZINC000845677739 902298045 /nfs/dbraw/zinc/29/80/45/902298045.db2.gz VCECWLLULXBMKL-SNVBAGLBSA-N 0 0 396.112 3.928 20 10 GHCDRN C[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000263683078 902391673 /nfs/dbraw/zinc/39/16/73/902391673.db2.gz LDJJLPDJOXVOPN-CVEARBPZSA-N 0 0 391.512 3.569 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCCc1nc(C2CC2)no1 ZINC000159019535 902448682 /nfs/dbraw/zinc/44/86/82/902448682.db2.gz NCYFEAGHAWWDNN-UHFFFAOYSA-N 0 0 382.508 3.919 20 10 GHCDRN C[C@@H](COCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 ZINC000845859448 902464031 /nfs/dbraw/zinc/46/40/31/902464031.db2.gz ZVWZCXFTPUTADV-RXVVDRJESA-N 0 0 383.488 3.720 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(OCc2ccccc2)CC1 ZINC000127909980 902575696 /nfs/dbraw/zinc/57/56/96/902575696.db2.gz YXXNTFWDGYBWMB-UHFFFAOYSA-N 0 0 391.515 3.954 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)[C@@H]1CSC[C@H]1c1ccccc1 ZINC000846013945 902591837 /nfs/dbraw/zinc/59/18/37/902591837.db2.gz GELLDBRZJRRXRU-LSDHHAIUSA-N 0 0 392.318 3.918 20 10 GHCDRN O=C(NC1CCOCC1)c1ccc(NCc2cc(Cl)c(F)cc2O)cc1 ZINC000845994192 902609455 /nfs/dbraw/zinc/60/94/55/902609455.db2.gz KSDOAMKCZIGTHL-UHFFFAOYSA-N 0 0 378.831 3.706 20 10 GHCDRN Oc1ccc(F)cc1CN1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000778996393 902609239 /nfs/dbraw/zinc/60/92/39/902609239.db2.gz ZSCRNYAPDIFGEJ-UHFFFAOYSA-N 0 0 376.300 3.549 20 10 GHCDRN CC(C)CCOc1cccc(NC(=O)C(=O)NCc2cc(Cl)ccc2O)c1 ZINC000846122655 902698434 /nfs/dbraw/zinc/69/84/34/902698434.db2.gz YLKAEBFRHUNLHK-UHFFFAOYSA-N 0 0 390.867 3.725 20 10 GHCDRN COc1cc(O)c(CNc2cc(F)cc(N3C[C@@H](C)O[C@@H](C)C3)c2)cc1OC ZINC000846105905 902719353 /nfs/dbraw/zinc/71/93/53/902719353.db2.gz CSRHARKCEDUOFI-OKILXGFUSA-N 0 0 390.455 3.774 20 10 GHCDRN COc1cc(OC)cc([C@@H](N[C@@H](C)c2ccc(N(C)C)cc2)c2nccn2C)c1 ZINC000128905538 902732309 /nfs/dbraw/zinc/73/23/09/902732309.db2.gz VZKHNEZNZZLAOL-KSFYIVLOSA-N 0 0 394.519 3.944 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000846138853 902745284 /nfs/dbraw/zinc/74/52/84/902745284.db2.gz IIBWDVVMRCDHQL-NWDGAFQWSA-N 0 0 396.203 3.519 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cccc2[nH]ccc21 ZINC000264116443 902853173 /nfs/dbraw/zinc/85/31/73/902853173.db2.gz UIOUDEPHJKTUDR-UHFFFAOYSA-N 0 0 378.476 3.698 20 10 GHCDRN COc1cccc(CNC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1O ZINC000264201616 902917293 /nfs/dbraw/zinc/91/72/93/902917293.db2.gz FHJWVRMVILMYOE-UHFFFAOYSA-N 0 0 397.475 3.739 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1 ZINC000846446021 902976513 /nfs/dbraw/zinc/97/65/13/902976513.db2.gz GIPMQPKAOJFGLU-UHFFFAOYSA-N 0 0 397.441 3.884 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)C[C@H]3OCc4ccccc43)cc2F)C[C@@H](C)O1 ZINC000846823828 903217554 /nfs/dbraw/zinc/21/75/54/903217554.db2.gz AHBQDQULSXUTCU-XCGNWRKASA-N 0 0 398.478 3.717 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(C(F)F)nc3)cc2F)C[C@H](C)O1 ZINC000846825090 903217658 /nfs/dbraw/zinc/21/76/58/903217658.db2.gz RVMJJADWQRVXAY-BETUJISGSA-N 0 0 393.409 3.702 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000801549382 921121111 /nfs/dbraw/zinc/12/11/11/921121111.db2.gz LXOBUAQNWKMRKG-UHFFFAOYSA-N 0 0 389.517 3.557 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1cccnc1OCC(F)F ZINC000132572418 903278140 /nfs/dbraw/zinc/27/81/40/903278140.db2.gz GLPXWGDYYJYNRQ-UHFFFAOYSA-N 0 0 379.407 3.553 20 10 GHCDRN C[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1cccc(F)c1F ZINC000133465969 903382581 /nfs/dbraw/zinc/38/25/81/903382581.db2.gz IPEHBUHMMLXKAP-HNNXBMFYSA-N 0 0 389.446 3.704 20 10 GHCDRN C[C@@H](c1nc(Cc2ccccc2)no1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000133647134 903403937 /nfs/dbraw/zinc/40/39/37/903403937.db2.gz RSVBYNOWTAOXNZ-SFHVURJKSA-N 0 0 392.503 3.690 20 10 GHCDRN CN(C)c1ccc(CNC(=O)c2ccccc2COC2CCOCC2)cc1F ZINC000136115443 903760217 /nfs/dbraw/zinc/76/02/17/903760217.db2.gz HNYNWZAKYKZGDA-UHFFFAOYSA-N 0 0 386.467 3.517 20 10 GHCDRN Nc1ccc(NC(=O)Nc2ccc(NC(=O)c3cnc(Cl)nc3)cc2)cc1 ZINC001147727272 903852252 /nfs/dbraw/zinc/85/22/52/903852252.db2.gz FBPLTHNOFPTNOM-UHFFFAOYSA-N 0 0 382.811 3.609 20 10 GHCDRN O=C(Nc1ccc2c(cnn2Cc2cccc(F)c2)c1)c1cccc(O)c1O ZINC001148218515 904010347 /nfs/dbraw/zinc/01/03/47/904010347.db2.gz CNVYRFIGDCIKLZ-UHFFFAOYSA-N 0 0 377.375 3.887 20 10 GHCDRN C[C@@H](NC1(C(=O)Nc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000779083568 904022245 /nfs/dbraw/zinc/02/22/45/904022245.db2.gz ZOPYCSBKVJTTJH-MRXNPFEDSA-N 0 0 399.922 3.999 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)c2c(C(F)F)nc3cnccn32)C2CC2)cc1 ZINC000887961744 904046913 /nfs/dbraw/zinc/04/69/13/904046913.db2.gz URVIYSGEIXTMLU-UHFFFAOYSA-N 0 0 385.418 3.538 20 10 GHCDRN Cc1cc(O)cc(C)c1NS(=O)(=O)c1cc(F)c(F)cc1Br ZINC001186720915 914777470 /nfs/dbraw/zinc/77/74/70/914777470.db2.gz BZXZHHLZTTWPLB-UHFFFAOYSA-N 0 0 392.221 3.851 20 10 GHCDRN C[C@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)c1ccc(N(C)C)cc1 ZINC000772992870 904181086 /nfs/dbraw/zinc/18/10/86/904181086.db2.gz CEPYMLFXKHQDFZ-QKKBWIMNSA-N 0 0 381.501 3.559 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000282812504 904332732 /nfs/dbraw/zinc/33/27/32/904332732.db2.gz PIBSTFAOIXEBBC-UHFFFAOYSA-N 0 0 396.535 3.764 20 10 GHCDRN C[C@H](NC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000773001692 904355411 /nfs/dbraw/zinc/35/54/11/904355411.db2.gz WIUDQGRJRODOQT-UUOWRZLLSA-N 0 0 393.531 3.872 20 10 GHCDRN COc1cc(CCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000773010369 904362918 /nfs/dbraw/zinc/36/29/18/904362918.db2.gz PAVWTYGMKOZCRW-HNNXBMFYSA-N 0 0 386.492 3.588 20 10 GHCDRN C[C@@H](NC(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000773013044 904366417 /nfs/dbraw/zinc/36/64/17/904366417.db2.gz ZFRUCHVHBCHUCW-IAGOWNOFSA-N 0 0 389.540 3.967 20 10 GHCDRN COc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc(OC)c1OC(F)F ZINC000773018564 904372441 /nfs/dbraw/zinc/37/24/41/904372441.db2.gz WHINSZIMGZLEAR-LBPRGKRZSA-N 0 0 394.418 3.862 20 10 GHCDRN C[C@@H](NC(=O)COc1ccc(Br)cc1F)c1ccc(N(C)C)cc1 ZINC000773018558 904372673 /nfs/dbraw/zinc/37/26/73/904372673.db2.gz WGDFDRHVBAVPSA-GFCCVEGCSA-N 0 0 395.272 3.910 20 10 GHCDRN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773014327 904373790 /nfs/dbraw/zinc/37/37/90/904373790.db2.gz LVDHRICHGUSRND-SJORKVTESA-N 0 0 399.560 3.999 20 10 GHCDRN C[C@@H](NC(=O)[C@@H](OC1CCOCC1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000773020358 904380106 /nfs/dbraw/zinc/38/01/06/904380106.db2.gz SUQASUFQHYDPCE-VGSWGCGISA-N 0 0 382.504 3.867 20 10 GHCDRN C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(N(C)C)cc1 ZINC000773019871 904380368 /nfs/dbraw/zinc/38/03/68/904380368.db2.gz QVAZZHVOBKYNFS-GDBMZVCRSA-N 0 0 385.895 3.636 20 10 GHCDRN COc1ccc(C2(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CCOCC2)cc1 ZINC000773025549 904384001 /nfs/dbraw/zinc/38/40/01/904384001.db2.gz PXPFSPGWMYJVMO-KRWDZBQOSA-N 0 0 382.504 3.687 20 10 GHCDRN Cc1ncccc1/C=C\C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000826604116 904420620 /nfs/dbraw/zinc/42/06/20/904420620.db2.gz MUTYRJNZRPOAHU-KOJMWDNASA-N 0 0 387.430 3.790 20 10 GHCDRN C[C@H](NS(=O)(=O)Cc1ccccc1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773089220 904423835 /nfs/dbraw/zinc/42/38/35/904423835.db2.gz SVJGHBZKAZLKEE-ZDUSSCGKSA-N 0 0 386.439 3.952 20 10 GHCDRN CC(C)NC(=O)Nc1ccc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773236274 904597668 /nfs/dbraw/zinc/59/76/68/904597668.db2.gz JRAVSNIGRICVFA-MRXNPFEDSA-N 0 0 397.523 3.843 20 10 GHCDRN COC1(CO)CCN(C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)CC1 ZINC000773257373 904620978 /nfs/dbraw/zinc/62/09/78/904620978.db2.gz WNXPAOKYXSLBFO-UHFFFAOYSA-N 0 0 384.520 3.831 20 10 GHCDRN COc1ccc(-n2ccc(CNC(=O)N[C@H](C)c3ccc(N(C)C)cc3)n2)cc1 ZINC000773292368 904689592 /nfs/dbraw/zinc/68/95/92/904689592.db2.gz USHHLMRTQZNPMF-MRXNPFEDSA-N 0 0 393.491 3.507 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2nn(-c3c(F)cccc3F)cc2C)c1 ZINC000188449843 904924792 /nfs/dbraw/zinc/92/47/92/904924792.db2.gz WDRFAJARPUCMJQ-LBPRGKRZSA-N 0 0 387.386 3.664 20 10 GHCDRN Cc1cc(CCNC(=O)NCc2ccc(N3CCSCC3)cc2)cc(C)c1O ZINC000188730063 904967609 /nfs/dbraw/zinc/96/76/09/904967609.db2.gz VBHHIGDGXQLWKZ-UHFFFAOYSA-N 0 0 399.560 3.604 20 10 GHCDRN CCc1noc(C)c1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 ZINC000189449592 905071078 /nfs/dbraw/zinc/07/10/78/905071078.db2.gz NRUVTNCOWKRJBR-AWEZNQCLSA-N 0 0 392.459 3.861 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000801551485 921123201 /nfs/dbraw/zinc/12/32/01/921123201.db2.gz LYQZYTYKZJESFE-MRXNPFEDSA-N 0 0 389.517 3.728 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)Cc1cc[nH]c(=O)c1Br ZINC000801551803 921124534 /nfs/dbraw/zinc/12/45/34/921124534.db2.gz SYHYDXWWKOLGQU-UHFFFAOYSA-N 0 0 393.281 3.627 20 10 GHCDRN CNC(=O)c1cc(NC(=O)NCc2c(O)ccc3c2CCCC3)ccc1Cl ZINC000175296438 905516982 /nfs/dbraw/zinc/51/69/82/905516982.db2.gz FJLPUYKWLSPPJL-UHFFFAOYSA-N 0 0 387.867 3.606 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cccc(S(=O)(=O)C(F)F)c1 ZINC000175998564 905723689 /nfs/dbraw/zinc/72/36/89/905723689.db2.gz ALKWPKXOOKUQPB-UHFFFAOYSA-N 0 0 398.431 3.833 20 10 GHCDRN COc1ccc([C@@H](C)CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000176646467 905904416 /nfs/dbraw/zinc/90/44/16/905904416.db2.gz ICKJHTGBWNNSNR-SFHVURJKSA-N 0 0 396.531 3.714 20 10 GHCDRN Cc1[nH]c2ccccc2c1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000176983806 906005446 /nfs/dbraw/zinc/00/54/46/906005446.db2.gz HHFZRLFQFKJBOC-UHFFFAOYSA-N 0 0 381.451 3.507 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN([C@@H]2COc3cccc(OC)c3C2)C1 ZINC001173160495 906245902 /nfs/dbraw/zinc/24/59/02/906245902.db2.gz JISLIUKGGJOGDR-HNNXBMFYSA-N 0 0 378.472 3.557 20 10 GHCDRN CC[C@]1(O)CCN(C(=O)c2cc(C)n(-c3ccccc3Br)c2C)C1 ZINC000779336509 906266671 /nfs/dbraw/zinc/26/66/71/906266671.db2.gz SQUXFWNFFBZICV-IBGZPJMESA-N 0 0 391.309 3.844 20 10 GHCDRN C[C@H](NC(=O)NCc1nccn1CCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000773366527 906305696 /nfs/dbraw/zinc/30/56/96/906305696.db2.gz ZWWKCRINGGXDFG-SFHVURJKSA-N 0 0 391.519 3.752 20 10 GHCDRN CS[C@@H](C(N)=O)c1cccc(C(=O)c2ccccc2)c1Nc1cccnc1 ZINC001173858212 906723526 /nfs/dbraw/zinc/72/35/26/906723526.db2.gz RSCXKVNOADYTFP-HXUWFJFHSA-N 0 0 377.469 3.946 20 10 GHCDRN COc1ccc(N2CCN(c3ccc(Nc4cnn(C)c4C)cc3)CC2)cc1 ZINC001174391738 906997751 /nfs/dbraw/zinc/99/77/51/906997751.db2.gz KOVQOHIZAFDPST-UHFFFAOYSA-N 0 0 377.492 3.807 20 10 GHCDRN CS[C@H](C(N)=O)c1cccc(C(=O)c2ccccc2)c1Nc1cnn(C)c1C ZINC001174390278 907012978 /nfs/dbraw/zinc/01/29/78/907012978.db2.gz CBCIOGPIEAQSRR-FQEVSTJZSA-N 0 0 394.500 3.593 20 10 GHCDRN CNS(=O)(=O)c1cccc(N(c2ccc(N)cc2)c2ccc(OC)cc2)c1 ZINC001174730237 907179844 /nfs/dbraw/zinc/17/98/44/907179844.db2.gz OVRQZKCSGUPLIO-UHFFFAOYSA-N 0 0 383.473 3.655 20 10 GHCDRN COc1ccc(CCCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000299402079 921308056 /nfs/dbraw/zinc/30/80/56/921308056.db2.gz GZMSRTRJBUEHKR-UHFFFAOYSA-N 0 0 382.504 3.513 20 10 GHCDRN Cc1ccc(C(=O)N(C)C)cc1N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000182814763 907270342 /nfs/dbraw/zinc/27/03/42/907270342.db2.gz SLGWDVADVLPGQH-MRXNPFEDSA-N 0 0 385.483 3.846 20 10 GHCDRN COc1cccc2c(NCc3ccc(N4CCN(C(C)=O)CC4)cc3)ccnc12 ZINC000191857428 907284274 /nfs/dbraw/zinc/28/42/74/907284274.db2.gz OSXMITSIFKMNSL-UHFFFAOYSA-N 0 0 390.487 3.524 20 10 GHCDRN O=C(c1ccc(I)cc1Cl)N1Cc2cccc(O)c2C1 ZINC001175030255 907342854 /nfs/dbraw/zinc/34/28/54/907342854.db2.gz POLYRBZBMAATDZ-UHFFFAOYSA-N 0 0 399.615 3.806 20 10 GHCDRN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)C=Cc1ccc(O)c(O)c1 ZINC000779502659 907351135 /nfs/dbraw/zinc/35/11/35/907351135.db2.gz VYDBJPAPIGNNCK-WZUFQYTHSA-N 0 0 395.434 3.731 20 10 GHCDRN COC[C@@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccc(F)c(F)c1 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GHCDRN COc1cc(OC)cc([C@H](N[C@H](C)c2ccc(F)cc2O)c2nccn2C)c1 ZINC000184960273 907686028 /nfs/dbraw/zinc/68/60/28/907686028.db2.gz JJWDXNLZGPIECM-XCLFUZPHSA-N 0 0 385.439 3.722 20 10 GHCDRN Nc1cc(C(F)(F)F)c(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cn1 ZINC001175713806 907698747 /nfs/dbraw/zinc/69/87/47/907698747.db2.gz DRWPHAIUMOOATI-UHFFFAOYSA-N 0 0 399.328 3.907 20 10 GHCDRN C[C@@H]([NH2+]Cc1cnn(C)c1)c1cc(Br)cc(Br)c1[O-] ZINC000185113049 907714954 /nfs/dbraw/zinc/71/49/54/907714954.db2.gz FUUZARPXUOEKIQ-MRVPVSSYSA-N 0 0 389.091 3.502 20 10 GHCDRN Cc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1-c1cnn(C)c1 ZINC000631560186 907757676 /nfs/dbraw/zinc/75/76/76/907757676.db2.gz TUMLUIRGNVVETD-UHFFFAOYSA-N 0 0 376.460 3.501 20 10 GHCDRN CN(CCN(C)c1ccc(Nc2ccc3[nH]nnc3c2)cc1)c1ccc(N)cc1 ZINC001176004242 907871529 /nfs/dbraw/zinc/87/15/29/907871529.db2.gz HAECFEAIOGICOU-UHFFFAOYSA-N 0 0 387.491 3.856 20 10 GHCDRN O=C(C1=CC(=O)CS1)N1CCN(c2cccc(OCc3ccccc3)c2)CC1 ZINC001176132673 907926391 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CC(C)Oc1ccc([C@@H](O)CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773609728 908399760 /nfs/dbraw/zinc/39/97/60/908399760.db2.gz AXBAPCAGXPLGHN-KKSFZXQISA-N 0 0 385.508 3.634 20 10 GHCDRN COc1cc(C)c(CN(C)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000773609757 908400403 /nfs/dbraw/zinc/40/04/03/908400403.db2.gz BPKMKWNWWGBALB-INIZCTEOSA-N 0 0 385.508 3.981 20 10 GHCDRN C[C@@H](NC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000773617753 908429344 /nfs/dbraw/zinc/42/93/44/908429344.db2.gz NWSIERJQXDOTLX-OAHLLOKOSA-N 0 0 390.528 3.512 20 10 GHCDRN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773613366 908432387 /nfs/dbraw/zinc/43/23/87/908432387.db2.gz VJYLJWMXULCZKY-IRXDYDNUSA-N 0 0 375.513 3.577 20 10 GHCDRN CCOc1ccccc1N1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773611549 908432419 /nfs/dbraw/zinc/43/24/19/908432419.db2.gz ODAIDMIZLSHLCH-SFHVURJKSA-N 0 0 396.535 3.744 20 10 GHCDRN C[C@@H](NC(=O)NC[C@@](C)(O)c1ccccc1Cl)c1ccc(N(C)C)cc1 ZINC000773629773 908486727 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3.577 20 10 GHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC001177911227 908798019 /nfs/dbraw/zinc/79/80/19/908798019.db2.gz HLKBQPUKUHNVGB-QFBILLFUSA-N 0 0 395.330 3.672 20 10 GHCDRN O=C1CCc2cc([N+](=O)[O-])c(NCc3ccc(N4CCSCC4)cc3)cc2N1 ZINC000194059016 908855689 /nfs/dbraw/zinc/85/56/89/908855689.db2.gz FZOHMVQKRNHEPN-UHFFFAOYSA-N 0 0 398.488 3.645 20 10 GHCDRN O=C(NCc1ccccc1O)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000299557191 921445719 /nfs/dbraw/zinc/44/57/19/921445719.db2.gz YTTKFLSEPZLRHA-UHFFFAOYSA-N 0 0 388.851 3.622 20 10 GHCDRN COC[C@@H](NC(=O)N[C@H](C)c1cc(OC)ccc1O)c1ccc(Cl)cc1 ZINC000194666592 908909766 /nfs/dbraw/zinc/90/97/66/908909766.db2.gz KPXUVMMWUHDMSH-SJKOYZFVSA-N 0 0 378.856 3.802 20 10 GHCDRN Cc1nccn1C[C@@H](C)CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000194883504 908935669 /nfs/dbraw/zinc/93/56/69/908935669.db2.gz UQNLQAHHYFQLKS-SFHVURJKSA-N 0 0 383.540 3.660 20 10 GHCDRN CN(C)c1ccc(/N=N/c2ccccc2C(=O)N2CCOC[C@@]23CCOC3)cc1 ZINC000194407373 908942909 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COC(=O)/C=C\c1ccc(N2CC[C@@H](COc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000779927871 909076883 /nfs/dbraw/zinc/07/68/83/909076883.db2.gz CDFUJVKPZIJUCS-SECOEOQKSA-N 0 0 382.416 3.686 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccc([C@@H]4CCCOC4)cc3)CC2)cc1F ZINC000779928381 909077135 /nfs/dbraw/zinc/07/71/35/909077135.db2.gz BPMKNRUAFXTQRW-LJQANCHMSA-N 0 0 398.478 3.691 20 10 GHCDRN CC(C)c1c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cnn1-c1ccccc1 ZINC000773751371 909116123 /nfs/dbraw/zinc/11/61/23/909116123.db2.gz QOESLRXPAQRSQK-HNNXBMFYSA-N 0 0 379.460 3.768 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)CCN1Cc2ccccc2C1=O ZINC001178834251 909253916 /nfs/dbraw/zinc/25/39/16/909253916.db2.gz JBDHPBRUYTXJEM-QFIPXVFZSA-N 0 0 392.499 3.795 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNc1cccc(N2C(=O)N[C@H](C)C2=O)c1C ZINC001178845169 909260590 /nfs/dbraw/zinc/26/05/90/909260590.db2.gz VBOUYXKRGVPSDA-OAHLLOKOSA-N 0 0 376.460 3.852 20 10 GHCDRN CCN(C)c1ccc(CN[C@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000773779845 909278382 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Cc1cc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c(C)n1-c1ccccc1C ZINC000802241827 921945776 /nfs/dbraw/zinc/94/57/76/921945776.db2.gz BKIUMRRNTFJFIV-SIKLNZKXSA-N 0 0 396.531 3.700 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)NCCOc1ccc(Cl)cn1 ZINC000802246389 921950130 /nfs/dbraw/zinc/95/01/30/921950130.db2.gz UKJRMSMEUNWTST-UHFFFAOYSA-N 0 0 377.872 3.831 20 10 GHCDRN COCCn1c(CC(C)C)nnc1N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000802443436 922107895 /nfs/dbraw/zinc/10/78/95/922107895.db2.gz ABGBEEJMADANLY-UHFFFAOYSA-N 0 0 385.556 3.750 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(OCCF)c1 ZINC000802610701 922255249 /nfs/dbraw/zinc/25/52/49/922255249.db2.gz MGPGBIZNDMEPCI-UHFFFAOYSA-N 0 0 388.439 3.508 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(OCCC)c1 ZINC000802609963 922255957 /nfs/dbraw/zinc/25/59/57/922255957.db2.gz NMQDSCMELKNACX-UHFFFAOYSA-N 0 0 384.476 3.948 20 10 GHCDRN Oc1cc(OCc2ccccc2)ccc1CNc1ccc(N2CCOCC2)cn1 ZINC000802642972 922287614 /nfs/dbraw/zinc/28/76/14/922287614.db2.gz 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CCc1noc2ncc(C(=O)Nc3c(-c4ccccn4)nc4ccccn43)cc12 ZINC000751306372 928123372 /nfs/dbraw/zinc/12/33/72/928123372.db2.gz VMGJBGZNBPVGML-UHFFFAOYSA-N 0 0 384.399 3.747 20 10 GHCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(OC)c3ccccc32)c1 ZINC000751317515 928130177 /nfs/dbraw/zinc/13/01/77/928130177.db2.gz GPSIFDQOVVPXJM-ZDUSSCGKSA-N 0 0 387.457 3.602 20 10 GHCDRN CC(=O)c1ccc(CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1 ZINC000751403147 928172531 /nfs/dbraw/zinc/17/25/31/928172531.db2.gz CMXPNBJSYGJBCT-QHCPKHFHSA-N 0 0 394.515 3.706 20 10 GHCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2scnc2Cl)cc1 ZINC000751403142 928172615 /nfs/dbraw/zinc/17/26/15/928172615.db2.gz CMCIITDSCLCEPN-HNNXBMFYSA-N 0 0 379.913 3.684 20 10 GHCDRN CC1(C)CCCC[C@H]1CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000751664140 928310704 /nfs/dbraw/zinc/31/07/04/928310704.db2.gz LLBXOFMQWKAPPI-MOPGFXCFSA-N 0 0 385.552 3.611 20 10 GHCDRN Nc1ccc(Cc2nc(C(=O)OCc3cccc4nsnc43)cs2)cc1 ZINC000751930372 928486374 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GHCDRN Cc1cc(C(=O)NCCCNc2ncccn2)c(C)n1-c1cc(C)cc(C)c1 ZINC001625901865 1014348564 /nfs/dbraw/zinc/34/85/64/1014348564.db2.gz MYBMINADDVLJRD-UHFFFAOYSA-N 0 0 377.492 3.733 20 10 GHCDRN COc1ccccc1[C@@H](O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC001625905455 1014358720 /nfs/dbraw/zinc/35/87/20/1014358720.db2.gz SUUYHNBDLMIWOG-JOCHJYFZSA-N 0 0 382.504 3.814 20 10 GHCDRN CC[C@]([NH2+]Cc1cc(OC)c(OC)cc1O)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595299546 980428696 /nfs/dbraw/zinc/42/86/96/980428696.db2.gz XOTAKBLAABQDNH-LJQANCHMSA-N 0 0 379.840 3.543 20 10 GHCDRN CC[N@H+](Cc1cc(Br)ccc1O)Cc1cc(C(=O)[O-])ccc1OC ZINC001596354251 983816105 /nfs/dbraw/zinc/81/61/05/983816105.db2.gz GOLORXSNFMCDHO-UHFFFAOYSA-N 0 0 394.265 3.884 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](CCC(C)C)NC(=O)OC(C)(C)C)c1 ZINC001545683863 1014990327 /nfs/dbraw/zinc/99/03/27/1014990327.db2.gz CLLFWUUEULQPKA-YOEHRIQHSA-N 0 0 394.512 3.908 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cc2ccc(Br)cc2F)c1 ZINC001545683986 1014990369 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CCN(CC)c1ccc(CNC(=O)NCCN2CCc3ccccc32)cc1F ZINC001221879174 1032560860 /nfs/dbraw/zinc/56/08/60/1032560860.db2.gz UBQPOKVACGDYIH-UHFFFAOYSA-N 0 0 384.499 3.534 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)c3ncccc3N(C)C)cc2Cl)C1 ZINC001155727190 1032667089 /nfs/dbraw/zinc/66/70/89/1032667089.db2.gz QHEFQBPQZBFQKO-OAHLLOKOSA-N 0 0 386.927 3.967 20 10 GHCDRN COC(=O)c1c(CN2CCCC[C@@H]2c2noc(C)n2)c2cc(F)ccc2n1C ZINC001204230328 1032676969 /nfs/dbraw/zinc/67/69/69/1032676969.db2.gz YTJYIHYRFIYUGB-QGZVFWFLSA-N 0 0 386.427 3.523 20 10 GHCDRN CCOC(=O)c1cnc2n1CCN(Cc1ccc(N(C)C)c3ccccc13)[C@@H]2C ZINC001204240545 1032685094 /nfs/dbraw/zinc/68/50/94/1032685094.db2.gz XOKUHKRHRPXREV-MRXNPFEDSA-N 0 0 392.503 3.856 20 10 GHCDRN CCOC(=O)C[C@@H](Oc1c(O)c(O)ccc1C(=O)c1ccccc1)C(F)(F)F ZINC001227938878 1032704753 /nfs/dbraw/zinc/70/47/53/1032704753.db2.gz ZHRCFEVCYJTSPB-CQSZACIVSA-N 0 0 398.333 3.592 20 10 GHCDRN O=C(c1ccccc1)c1ccc(O)c(O)c1OC[C@H]1CC[C@@]2(CCCCO2)O1 ZINC001227941577 1032706913 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20 10 GHCDRN COc1ccc(N2CCN(Cc3ccccc3OC(F)(F)F)CC2)c(OC)c1 ZINC001204432186 1032865516 /nfs/dbraw/zinc/86/55/16/1032865516.db2.gz VEMHYWBZEIAHRZ-UHFFFAOYSA-N 0 0 396.409 3.925 20 10 GHCDRN COC(=O)[C@@H](NC1CCN(c2ccc(OC)cc2)CC1)c1ccc(F)c(C)c1 ZINC000779177992 1020455883 /nfs/dbraw/zinc/45/58/83/1020455883.db2.gz JFESEOCQEIESRB-NRFANRHFSA-N 0 0 386.467 3.615 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)NCc3ccccc3OCC3CC3)C2)cc1 ZINC001228392179 1032914717 /nfs/dbraw/zinc/91/47/17/1032914717.db2.gz GDJJLSGUMNHPAD-IBGZPJMESA-N 0 0 395.503 3.562 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)cc1 ZINC000190393452 1020677736 /nfs/dbraw/zinc/67/77/36/1020677736.db2.gz DVXLNCHXWOUJHU-UHFFFAOYSA-N 0 0 382.357 3.816 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CC2(C1)CCCC2 ZINC000779554464 1020868002 /nfs/dbraw/zinc/86/80/02/1020868002.db2.gz NMUCNUXOYRHYIJ-UHFFFAOYSA-N 0 0 379.451 3.842 20 10 GHCDRN O=C(Cc1ccccc1)Nc1cc(NC(=O)c2cccc(O)c2O)ccc1F ZINC000192987117 1020907261 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CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(C2CC2)oc1C1CC1 ZINC001162539392 1025783890 /nfs/dbraw/zinc/78/38/90/1025783890.db2.gz DOZCBGDHAXMZCX-UHFFFAOYSA-N 0 0 383.444 3.946 20 10 GHCDRN Cc1cc(Cl)c(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1[N+](=O)[O-] ZINC000839295197 1025784996 /nfs/dbraw/zinc/78/49/96/1025784996.db2.gz SHTSEHGEJFMDIS-UHFFFAOYSA-N 0 0 375.812 3.662 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H](C)Cc1ccccc1Cl ZINC001162540139 1025786000 /nfs/dbraw/zinc/78/60/00/1025786000.db2.gz QPOQFRFUXOADRU-HNNXBMFYSA-N 0 0 389.879 3.816 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)N(C)[C@@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000839406287 1025886486 /nfs/dbraw/zinc/88/64/86/1025886486.db2.gz ZRDFHZRTIADBKR-FCHUYYIVSA-N 0 0 393.531 3.506 20 10 GHCDRN CCOC(=O)[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC001162801405 1025922058 /nfs/dbraw/zinc/92/20/58/1025922058.db2.gz ZCCCHFMWWCVJPC-OAQYLSRUSA-N 0 0 380.488 3.640 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](CCNC(=O)OC(C)(C)C)C(C)C ZINC001139129663 1025941778 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[O-]c1c(Cl)cc(Cl)cc1C[N@H+]1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001203575300 1027443712 /nfs/dbraw/zinc/44/37/12/1027443712.db2.gz JQVBNIBLMCORLG-BETUJISGSA-N 0 0 384.332 3.719 20 10 GHCDRN CCn1ccc(CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)n1 ZINC000840367443 1027491465 /nfs/dbraw/zinc/49/14/65/1027491465.db2.gz PVAKHJMUGNBEMY-HNNXBMFYSA-N 0 0 389.931 3.792 20 10 GHCDRN COc1ccc(O)c(CN2Cc3ncn(CC4CC4)c3[C@H](COCC3CC3)C2)c1 ZINC001203671531 1027522202 /nfs/dbraw/zinc/52/22/02/1027522202.db2.gz QRWYQSSPFODLTK-IBGZPJMESA-N 0 0 397.519 3.533 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H](C)C[C@@H](O)c1cccs1 ZINC000840481808 1027565958 /nfs/dbraw/zinc/56/59/58/1027565958.db2.gz NQPJBPVGPBNKEO-TXPKVOOTSA-N 0 0 389.565 3.865 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC2(CCOCC2)[C@H]1C1CC1 ZINC000840486000 1027570698 /nfs/dbraw/zinc/57/06/98/1027570698.db2.gz XXIOXLDYVBACDM-LAUBAEHRSA-N 0 0 385.552 3.593 20 10 GHCDRN CC(=O)Nc1cc(NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)ccc1F ZINC000840486552 1027572193 /nfs/dbraw/zinc/57/21/93/1027572193.db2.gz CBOBXSRQFOZOPF-AWEZNQCLSA-N 0 0 386.471 3.911 20 10 GHCDRN CC(C)(O)c1ccc(Nc2c(CC(N)=O)cccc2C(=O)c2ccccc2)cc1 ZINC001210618684 1027575764 /nfs/dbraw/zinc/57/57/64/1027575764.db2.gz YYHPKYKUAYPTOH-UHFFFAOYSA-N 0 0 388.467 3.916 20 10 GHCDRN CC(C)(C)OC(=O)NCc1ccc(NC(=O)NCc2c(O)cccc2F)cc1 ZINC001203905506 1027697816 /nfs/dbraw/zinc/69/78/16/1027697816.db2.gz NUBHEUUGPZJGOS-UHFFFAOYSA-N 0 0 389.427 3.878 20 10 GHCDRN CC(C)OCc1nn(CC2CC2)c2c1CN(Cc1ccc(N(C)C)cc1)CC2 ZINC001203931958 1027725329 /nfs/dbraw/zinc/72/53/29/1027725329.db2.gz MXIZADRYHUJYQU-UHFFFAOYSA-N 0 0 382.552 3.842 20 10 GHCDRN C[C@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1cc(Cl)c(Cl)cc1[O-] ZINC000840796689 1027830546 /nfs/dbraw/zinc/83/05/46/1027830546.db2.gz GRGPEZKBVNHAMM-ZBEGNZNMSA-N 0 0 390.307 3.765 20 10 GHCDRN C[C@@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1ccc(Cl)c(Cl)c1[O-] ZINC000840796177 1027831101 /nfs/dbraw/zinc/83/11/01/1027831101.db2.gz DLCQWLQJHNCNLF-BXUZGUMPSA-N 0 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ZINC000840998727 1028031196 /nfs/dbraw/zinc/03/11/96/1028031196.db2.gz PPWZXWHEMMVQOC-SFHVURJKSA-N 0 0 381.314 3.736 20 10 GHCDRN C[C@H](NC(=O)c1ccc(S(=O)(=O)C2CCC2)cc1)c1ccc(N(C)C)cc1 ZINC000841186750 1028258145 /nfs/dbraw/zinc/25/81/45/1028258145.db2.gz MDOCIABRVKAHTR-HNNXBMFYSA-N 0 0 386.517 3.570 20 10 GHCDRN Nc1ccc(CCNC(=O)Nc2ccc(Br)c(C3CC3)n2)cc1 ZINC000841250168 1028332050 /nfs/dbraw/zinc/33/20/50/1028332050.db2.gz GUJVCULGCCHTHJ-UHFFFAOYSA-N 0 0 375.270 3.668 20 10 GHCDRN COC(=O)Cc1cccc(Nc2ccc(C(=O)Oc3ccc(N)cc3)cc2)c1 ZINC001213718598 1028347545 /nfs/dbraw/zinc/34/75/45/1028347545.db2.gz NJODXQRXPDSGIJ-UHFFFAOYSA-N 0 0 376.412 3.947 20 10 GHCDRN Nc1cccc2c1C(=O)c1cccc(Nc3ccc4[nH]c(=O)ccc4c3)c1C2=O ZINC001213780063 1028376129 /nfs/dbraw/zinc/37/61/29/1028376129.db2.gz TUNHVVXXRLWUTK-UHFFFAOYSA-N 0 0 381.391 3.629 20 10 GHCDRN C[C@H](NC(=O)Nc1ccc2c(c1)CCCN2)c1ccc(N2CCOCC2)cc1 ZINC000841303193 1028394975 /nfs/dbraw/zinc/39/49/75/1028394975.db2.gz NRXXPWAXTVZEGH-INIZCTEOSA-N 0 0 380.492 3.764 20 10 GHCDRN CN1CCCc2cc(CNC(=O)Nc3ccc4c(c3)OC(F)(F)O4)ccc21 ZINC001214383217 1028707299 /nfs/dbraw/zinc/70/72/99/1028707299.db2.gz IBFNQQJXSFZCIL-UHFFFAOYSA-N 0 0 375.375 3.712 20 10 GHCDRN CC[C@@H](C(=O)N(CC)Cc1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C ZINC001142410655 1028834613 /nfs/dbraw/zinc/83/46/13/1028834613.db2.gz OUXFWHWCQGFQIG-SFHVURJKSA-N 0 0 377.529 3.747 20 10 GHCDRN CO[C@@H]1Cc2ccc(NC(=O)N[C@@H](C)Cc3ccc(N(C)C)cc3C)cc2C1 ZINC000841688441 1028835932 /nfs/dbraw/zinc/83/59/32/1028835932.db2.gz HOEDUSMEFVMSOT-KSFYIVLOSA-N 0 0 381.520 3.927 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1cc2c(cc1F)NC(=O)CC2 ZINC000841702842 1028857289 /nfs/dbraw/zinc/85/72/89/1028857289.db2.gz QBOTYBHIDRMSJW-CQSZACIVSA-N 0 0 398.482 3.838 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cnc2c(F)cc(F)cc2c1O ZINC001142419466 1028863410 /nfs/dbraw/zinc/86/34/10/1028863410.db2.gz SAKPLKZMBHGAGT-ZDUSSCGKSA-N 0 0 399.441 3.542 20 10 GHCDRN O=C([O-])c1ccccc1CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841795961 1028941996 /nfs/dbraw/zinc/94/19/96/1028941996.db2.gz YHAOXZJYWZWJBU-UHFFFAOYSA-N 0 0 383.448 3.616 20 10 GHCDRN NC(=O)c1c(F)cc(Nc2ccc(C(=O)Oc3ccc(N)cc3)cc2)cc1F ZINC001214922271 1028966748 /nfs/dbraw/zinc/96/67/48/1028966748.db2.gz DFVIGWOFGUNJMY-UHFFFAOYSA-N 0 0 383.354 3.609 20 10 GHCDRN Nc1ccc(CCNC(=O)N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000841958732 1029013928 /nfs/dbraw/zinc/01/39/28/1029013928.db2.gz RSSWHUNPKKKNGZ-SFHVURJKSA-N 0 0 393.409 3.613 20 10 GHCDRN COc1ccc2[nH]cc(C3=CCN(C(=O)NCCc4ccc(N)cc4)CC3)c2c1 ZINC000841963184 1029014769 /nfs/dbraw/zinc/01/47/69/1029014769.db2.gz YKHNEVNFBCIGIY-UHFFFAOYSA-N 0 0 390.487 3.800 20 10 GHCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001142512732 1029015419 /nfs/dbraw/zinc/01/54/19/1029015419.db2.gz JKCNYLHEYMJLCY-PZJWPPBQSA-N 0 0 390.430 3.516 20 10 GHCDRN O=C(NCc1ccc2c(c1)CCCN2)NCc1cccc(Br)c1O ZINC000842000827 1029028582 /nfs/dbraw/zinc/02/85/82/1029028582.db2.gz LNUBFGJSSAOCOG-UHFFFAOYSA-N 0 0 390.281 3.512 20 10 GHCDRN O=S(=O)(c1ccccc1)c1ccc(-c2noc(-c3ccc(O)c(O)c3)n2)cc1 ZINC001215304678 1029141445 /nfs/dbraw/zinc/14/14/45/1029141445.db2.gz YBAREEWGGORRDH-UHFFFAOYSA-N 0 0 394.408 3.648 20 10 GHCDRN Oc1cc(-c2nc(-c3cccc(Br)c3Cl)no2)cc(O)c1O ZINC001215327895 1029156224 /nfs/dbraw/zinc/15/62/24/1029156224.db2.gz ZCVFLXPEXNQDAY-UHFFFAOYSA-N 0 0 383.585 3.936 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1 ZINC001461540353 1069599311 /nfs/dbraw/zinc/59/93/11/1069599311.db2.gz OPNFGFHAHVHGFU-QAPCUYQASA-N 0 0 380.257 3.550 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)Cc3cccc([N+](=O)[O-])c3C)C2)cc1 ZINC000842876235 1029653704 /nfs/dbraw/zinc/65/37/04/1029653704.db2.gz RKDVGXUFROJYKL-MRXNPFEDSA-N 0 0 384.432 3.524 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)c3cc(C(C)=O)c(C)nc3C)C2)cc1 ZINC000842876960 1029654885 /nfs/dbraw/zinc/65/48/85/1029654885.db2.gz YQBHCMYZJIKFQH-QGZVFWFLSA-N 0 0 382.460 3.593 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3sc([C@@H](C)OC)nc3C)C2)cc1 ZINC000842878255 1029655353 /nfs/dbraw/zinc/65/53/53/1029655353.db2.gz JNCLNLBFSJIWSY-CABCVRRESA-N 0 0 390.505 3.851 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)Cc3ccc(OC(F)F)cc3)C2)cc1 ZINC000842879025 1029657336 /nfs/dbraw/zinc/65/73/36/1029657336.db2.gz PQWINLBYKYTVDS-INIZCTEOSA-N 0 0 391.414 3.909 20 10 GHCDRN Cc1ncsc1-c1nnc(N(C)Cc2ccc(N3CCCCC3)cc2)n1C ZINC000842923173 1029688846 /nfs/dbraw/zinc/68/88/46/1029688846.db2.gz GVYNETUPWDPSKG-UHFFFAOYSA-N 0 0 382.537 3.874 20 10 GHCDRN Cc1ccc(N2C[C@@H](c3nc(Cc4ccc(N)cc4)no3)CCC2=O)cc1C ZINC000843159694 1029835349 /nfs/dbraw/zinc/83/53/49/1029835349.db2.gz DATUHBAMQFVXFI-KRWDZBQOSA-N 0 0 376.460 3.770 20 10 GHCDRN CC[C@H](C)C[C@H](NC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1)C(=O)OC ZINC001143208305 1029911406 /nfs/dbraw/zinc/91/14/06/1029911406.db2.gz DHKWCFDECLJHDG-BTYIYWSLSA-N 0 0 398.503 3.543 20 10 GHCDRN CCN1CCc2ccc(-c3noc(-c4ccc(S(=O)(=O)[N-][N+]#N)cc4)n3)cc21 ZINC001217093328 1030155767 /nfs/dbraw/zinc/15/57/67/1030155767.db2.gz BALBZTYKOJCXAQ-UHFFFAOYSA-N 0 0 396.432 3.785 20 10 GHCDRN Cc1ncc(Cl)cc1-c1noc(-c2ccc(S(=O)(=O)[N-][N+]#N)cc2)n1 ZINC001217093598 1030156319 /nfs/dbraw/zinc/15/63/19/1030156319.db2.gz KQTCHBWKNRYXES-UHFFFAOYSA-N 0 0 376.785 3.759 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC001149776767 1030301053 /nfs/dbraw/zinc/30/10/53/1030301053.db2.gz RZYKSDQPUUTWSK-SFHVURJKSA-N 0 0 392.478 3.945 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(-n2cc(C)cn2)c(F)cc1N ZINC001149880700 1030338634 /nfs/dbraw/zinc/33/86/34/1030338634.db2.gz PSJGWLYMGHEBKP-UHFFFAOYSA-N 0 0 382.439 3.660 20 10 GHCDRN Cc1cc(CNC(=O)NC[C@H]2COc3ccccc3O2)c(C)n1-c1ccccc1 ZINC001223152966 1030460382 /nfs/dbraw/zinc/46/03/82/1030460382.db2.gz WCRSZLBJRFAKBI-FQEVSTJZSA-N 0 0 391.471 3.733 20 10 GHCDRN COc1ccc(/C(C)=C/C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1 ZINC001150239086 1030460810 /nfs/dbraw/zinc/46/08/10/1030460810.db2.gz CGXARPOGJWSMKZ-JQIJEIRASA-N 0 0 384.451 3.595 20 10 GHCDRN Cc1cc(CNC(=O)c2ccnc(-n3ccnc3)c2)c(C)n1-c1cccc(C)c1 ZINC001151154408 1030785525 /nfs/dbraw/zinc/78/55/25/1030785525.db2.gz VEZYJPVYTQYQNM-UHFFFAOYSA-N 0 0 385.471 3.913 20 10 GHCDRN C[C@@H](CC1CCC1)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC001223897921 1030800425 /nfs/dbraw/zinc/80/04/25/1030800425.db2.gz WDIDJVVNRVYGSO-HRCADAONSA-N 0 0 377.504 3.817 20 10 GHCDRN COCC1(C2CC2)CN(C(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)C1 ZINC001151282294 1030842059 /nfs/dbraw/zinc/84/20/59/1030842059.db2.gz UCXVOROCGDAQBT-UHFFFAOYSA-N 0 0 380.488 3.714 20 10 GHCDRN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)NCc2ccc(N(CC)CC)cc2)C1 ZINC001224055033 1030865132 /nfs/dbraw/zinc/86/51/32/1030865132.db2.gz JJBDQVQTSNBNER-JOCHJYFZSA-N 0 0 389.540 3.654 20 10 GHCDRN C[C@H](COc1ccc(F)cc1)NC(=O)NCc1cccc(Br)c1O ZINC001224274233 1030951828 /nfs/dbraw/zinc/95/18/28/1030951828.db2.gz FRJWCXREEGJKNO-LLVKDONJSA-N 0 0 397.244 3.561 20 10 GHCDRN Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001151892276 1031043570 /nfs/dbraw/zinc/04/35/70/1031043570.db2.gz MQBKNONMISEZNI-FXAWDEMLSA-N 0 0 397.519 3.792 20 10 GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1ccccc1SC ZINC001152402318 1031220872 /nfs/dbraw/zinc/22/08/72/1031220872.db2.gz WCACHLIRYMDMHB-UHFFFAOYSA-N 0 0 393.892 3.512 20 10 GHCDRN Cc1cc(CNC(=O)NCc2ccc(C(N)=O)cc2)c(C)n1-c1cccc(C)c1 ZINC001225059464 1031232674 /nfs/dbraw/zinc/23/26/74/1031232674.db2.gz LFZXGUOEAYNONU-UHFFFAOYSA-N 0 0 390.487 3.501 20 10 GHCDRN CN1CCCc2cc(CNC(=O)NC[C@@H](OC3CCCC3)C(F)(F)F)ccc21 ZINC001225138046 1031275386 /nfs/dbraw/zinc/27/53/86/1031275386.db2.gz CNNYWLYDDBMCGF-GOSISDBHSA-N 0 0 399.457 3.758 20 10 GHCDRN CCOc1ncccc1CNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001219189626 1031298062 /nfs/dbraw/zinc/29/80/62/1031298062.db2.gz NTTQAQUXUHLRMA-UHFFFAOYSA-N 0 0 388.431 3.512 20 10 GHCDRN COCC1CCC(NC(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC1 ZINC001219191171 1031298661 /nfs/dbraw/zinc/29/86/61/1031298661.db2.gz IHYXGKXXCSOXLS-UHFFFAOYSA-N 0 0 379.464 3.723 20 10 GHCDRN COc1ccc(C(C)(C)NC(=O)NCc2ccc(N(C)C)c(F)c2)cc1F ZINC001225302699 1031338594 /nfs/dbraw/zinc/33/85/94/1031338594.db2.gz CFKQOOSZUDPCLX-UHFFFAOYSA-N 0 0 377.435 3.774 20 10 GHCDRN Nc1ccc(CC(=O)Nc2ccc(NC(=O)Nc3ccc(N)cc3)cc2)cc1 ZINC001219492800 1031456806 /nfs/dbraw/zinc/45/68/06/1031456806.db2.gz BBOMPPNGGSDDTC-UHFFFAOYSA-N 0 0 375.432 3.676 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@@H]3CCNC(=O)[C@@H]32)c(C)n1-c1cccc(C(C)C)c1 ZINC001153208549 1031495795 /nfs/dbraw/zinc/49/57/95/1031495795.db2.gz MBSIOTGVICNIBD-XMSQKQJNSA-N 0 0 393.531 3.958 20 10 GHCDRN C[C@@](NC(=O)NCCc1ccc(O)c(O)c1)(c1ccc(F)cc1)C(F)(F)F ZINC001220259698 1031866061 /nfs/dbraw/zinc/86/60/61/1031866061.db2.gz UMSVJQHKVWMNLO-QGZVFWFLSA-N 0 0 386.345 3.556 20 10 GHCDRN Oc1c(O)c(O)c(OC(c2ccc(F)cc2)c2ccc(F)cc2)c(O)c1O ZINC001226465073 1031968256 /nfs/dbraw/zinc/96/82/56/1031968256.db2.gz PGCVKNNEHMWDRD-UHFFFAOYSA-N 0 0 376.311 3.661 20 10 GHCDRN Cc1ccc(C(=O)[C@@H](Oc2c(O)c(O)c(O)c(O)c2O)c2ccc(C)cc2)cc1 ZINC001226465619 1031968619 /nfs/dbraw/zinc/96/86/19/1031968619.db2.gz UQMKBVZGFSQHIX-NRFANRHFSA-N 0 0 396.395 3.834 20 10 GHCDRN COc1ccc2cc(CC[C@@H](C)Oc3c(O)c(O)c(O)c(O)c3O)ccc2c1 ZINC001226466980 1031969323 /nfs/dbraw/zinc/96/93/23/1031969323.db2.gz CQOFMVGFVPJQLN-LLVKDONJSA-N 0 0 386.400 3.777 20 10 GHCDRN CCN(CCNC(=O)NCc1c(O)ccc2c1CCCC2)c1ccccc1C ZINC001220574114 1031994912 /nfs/dbraw/zinc/99/49/12/1031994912.db2.gz IQCPTTCZQWYFSB-UHFFFAOYSA-N 0 0 381.520 3.905 20 10 GHCDRN CN(Cc1cc(Br)ccc1Cl)C(=O)Cc1ccc(O)c(O)c1 ZINC001154232320 1031995982 /nfs/dbraw/zinc/99/59/82/1031995982.db2.gz ZKCWNRLWABCBRF-UHFFFAOYSA-N 0 0 384.657 3.715 20 10 GHCDRN CO[C@@H](COc1cc(O)c(O)c2c1C(=O)c1ccccc1C2=O)c1ccccc1 ZINC001229197057 1033335644 /nfs/dbraw/zinc/33/56/44/1033335644.db2.gz MJLFHRNLQGRBRE-SFHVURJKSA-N 0 0 390.391 3.640 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccccc1-n1ccc(C2CC2)n1 ZINC001157107991 1033417826 /nfs/dbraw/zinc/41/78/26/1033417826.db2.gz QBYNFPJIXMVVGR-UHFFFAOYSA-N 0 0 382.460 3.871 20 10 GHCDRN CCN(CC(=O)N1CCCCCC1)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001205723006 1033547838 /nfs/dbraw/zinc/54/78/38/1033547838.db2.gz ZRAIFQIWQNRENM-UHFFFAOYSA-N 0 0 385.474 3.996 20 10 GHCDRN Cc1cn2c(n1)[C@H](Oc1cc(C)cc3c1C(=O)c1c(O)cccc1C3=O)CCC2 ZINC001229542832 1033550157 /nfs/dbraw/zinc/55/01/57/1033550157.db2.gz QJPPSYSVIZFLPE-QGZVFWFLSA-N 0 0 388.423 3.895 20 10 GHCDRN Cc1noc(-c2ccc(NCc3cc(Br)cc(C)c3O)cn2)n1 ZINC001205875165 1033615898 /nfs/dbraw/zinc/61/58/98/1033615898.db2.gz HBMXDHGGOZNAOW-UHFFFAOYSA-N 0 0 375.226 3.829 20 10 GHCDRN CCC1(CC)CCCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC001229779752 1033708249 /nfs/dbraw/zinc/70/82/49/1033708249.db2.gz ABYUNWJOIANRLC-UHFFFAOYSA-N 0 0 395.494 3.913 20 10 GHCDRN CON(C)C(=O)c1cc(C)cnc1NCc1cc(Cl)c2cccnc2c1O ZINC001157726750 1033742760 /nfs/dbraw/zinc/74/27/60/1033742760.db2.gz XGCHKEFPKLVRQP-UHFFFAOYSA-N 0 0 386.839 3.543 20 10 GHCDRN NC(=O)Cc1cccc(C(=O)c2ccccc2)c1Nc1ccccc1[N+](=O)[O-] ZINC001206173247 1033753149 /nfs/dbraw/zinc/75/31/49/1033753149.db2.gz ZLSMVTVNFUICER-UHFFFAOYSA-N 0 0 375.384 3.597 20 10 GHCDRN C[N@H+](CC(=O)NCc1ccccc1)Cc1cc(Cl)cc(Br)c1[O-] ZINC001206349661 1033807424 /nfs/dbraw/zinc/80/74/24/1033807424.db2.gz BVTWCRJGSDHHNM-UHFFFAOYSA-N 0 0 397.700 3.556 20 10 GHCDRN C[C@H](NC(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1O ZINC001230773739 1034219250 /nfs/dbraw/zinc/21/92/50/1034219250.db2.gz AKOXSXKQKOABRT-HNNXBMFYSA-N 0 0 391.512 3.790 20 10 GHCDRN Cc1cc(C(=O)NC[C@H]2CC(C)=NO2)c(C)n1-c1ccccc1Br ZINC001158816500 1034285791 /nfs/dbraw/zinc/28/57/91/1034285791.db2.gz CTGZNLAEZALUHN-CQSZACIVSA-N 0 0 390.281 3.751 20 10 GHCDRN C[C@@H](CC(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)c1ccc(O)c(O)c1 ZINC001231342626 1034529171 /nfs/dbraw/zinc/52/91/71/1034529171.db2.gz WSVURVQQDLGIJR-LBPRGKRZSA-N 0 0 388.416 3.534 20 10 GHCDRN C[C@H](c1ccccc1)[N@H+](Cc1ccc(C(=O)[O-])cc1O)[C@@H]1CN2CCC1CC2 ZINC001231454585 1034598996 /nfs/dbraw/zinc/59/89/96/1034598996.db2.gz RXJPCMRCXDNFHJ-IIBYNOLFSA-N 0 0 380.488 3.748 20 10 GHCDRN O=C([O-])c1ccc(O)c(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3F)CC2)c1 ZINC001231565212 1034715700 /nfs/dbraw/zinc/71/57/00/1034715700.db2.gz BBTFCTFUUQSGIS-UHFFFAOYSA-N 0 0 398.356 3.571 20 10 GHCDRN O=C(c1ccco1)N1C[C@H]2CCC[N@@H+](Cc3c(O)ccc4ccccc43)[C@H]2C1 ZINC001231589178 1034743902 /nfs/dbraw/zinc/74/39/02/1034743902.db2.gz XTYDEQVQSHHKIS-XLIONFOSSA-N 0 0 376.456 3.875 20 10 GHCDRN COC(=O)C[C@@H](C)N(OC)C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001159958524 1034802109 /nfs/dbraw/zinc/80/21/09/1034802109.db2.gz CIHYUZZKGXLTOP-CYBMUJFWSA-N 0 0 378.856 3.703 20 10 GHCDRN Cc1cc(Cl)nc(C(F)(F)NCc2cc(Br)ccc2O)n1 ZINC001160012828 1034826490 /nfs/dbraw/zinc/82/64/90/1034826490.db2.gz VEPGAEPMYFTXEM-UHFFFAOYSA-N 0 0 378.604 3.746 20 10 GHCDRN CC(C)(C)OC(=O)Nc1nccc(NCc2cc(Br)ccc2O)n1 ZINC001160012068 1034828160 /nfs/dbraw/zinc/82/81/60/1034828160.db2.gz KUDPHUHGFDUOHW-UHFFFAOYSA-N 0 0 395.257 3.904 20 10 GHCDRN CC1CCN(c2ccc(NCc3cc(Br)ccc3O)nn2)CC1 ZINC001160019635 1034832446 /nfs/dbraw/zinc/83/24/46/1034832446.db2.gz PBFWEFJBORPENJ-UHFFFAOYSA-N 0 0 377.286 3.793 20 10 GHCDRN CN(C)c1cc(Cl)nc(C(F)(F)NCc2cc3ccccc3cc2O)n1 ZINC001160206488 1034901526 /nfs/dbraw/zinc/90/15/26/1034901526.db2.gz NWFVDYMDWOUBOM-UHFFFAOYSA-N 0 0 378.810 3.894 20 10 GHCDRN COc1cc(N(C)C)ccc1C[N@@H+]1CCCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001231854656 1034944518 /nfs/dbraw/zinc/94/45/18/1034944518.db2.gz JXPJNNKAHGWBQJ-INIZCTEOSA-N 0 0 377.529 3.593 20 10 GHCDRN Cc1cc(O)c(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1Cl ZINC001231870092 1034957177 /nfs/dbraw/zinc/95/71/77/1034957177.db2.gz JBDNMMBKXPGCKY-UHFFFAOYSA-N 0 0 379.287 3.965 20 10 GHCDRN COc1ccc(N2C[C@]3(CC[N@H+](Cc4cccc(Cl)c4[O-])C3)CC2=O)cc1 ZINC001231909473 1034984192 /nfs/dbraw/zinc/98/41/92/1034984192.db2.gz FHGLVYJKFDQEPW-OAQYLSRUSA-N 0 0 386.879 3.683 20 10 GHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H]2O[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001231910907 1034985372 /nfs/dbraw/zinc/98/53/72/1034985372.db2.gz ZAECASOSYKAAOH-MISYRCLQSA-N 0 0 388.895 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GHCDRN CCN(CC)c1ccc(CN(C)C(=O)NCc2cc3c([nH]c2=O)CCCC3)cc1 ZINC001254450767 1040238876 /nfs/dbraw/zinc/23/88/76/1040238876.db2.gz BOAJLVFFJXOIMD-UHFFFAOYSA-N 0 0 396.535 3.854 20 10 GHCDRN CC(=O)N1CCCCC12CC[NH+](Cc1cc(Br)cc(F)c1[O-])CC2 ZINC001235064461 1040552420 /nfs/dbraw/zinc/55/24/20/1040552420.db2.gz FAWKLTAZLQNKJN-UHFFFAOYSA-N 0 0 399.304 3.661 20 10 GHCDRN Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(Br)cc(F)c3[O-])C2)nc1 ZINC001235076162 1040564547 /nfs/dbraw/zinc/56/45/47/1040564547.db2.gz SMUAFFHSOGBFFI-AWEZNQCLSA-N 0 0 381.245 3.651 20 10 GHCDRN Fc1cc(CN2Cc3cccc(Br)c3C2)ccc1N1CCOCC1 ZINC001255071958 1040764780 /nfs/dbraw/zinc/76/47/80/1040764780.db2.gz SBNPJOKZIWKAPS-UHFFFAOYSA-N 0 0 391.284 3.941 20 10 GHCDRN [O-]c1c(Br)cc(F)cc1C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001235310045 1040785033 /nfs/dbraw/zinc/78/50/33/1040785033.db2.gz ZTOHYFUMWLTDIE-HUUCEWRRSA-N 0 0 391.284 3.862 20 10 GHCDRN COC[C@H](NC(=O)NCc1cc(C)ccc1O)c1cccc(Br)c1 ZINC001235465532 1040950107 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CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc(Cl)c(F)cc1F ZINC001260200620 1045410010 /nfs/dbraw/zinc/41/00/10/1045410010.db2.gz DXYTZRVNWXGXSS-UHFFFAOYSA-N 0 0 388.867 3.895 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(N(C)C(C)=O)nc3)c2C)cc1 ZINC001299660484 1045423485 /nfs/dbraw/zinc/42/34/85/1045423485.db2.gz QIWRZZUPPSLFGZ-UHFFFAOYSA-N 0 0 392.459 3.733 20 10 GHCDRN CCOCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H](SC)C(C)(C)C ZINC001297062259 1045439206 /nfs/dbraw/zinc/43/92/06/1045439206.db2.gz WPELYWSSSYCACN-QGZVFWFLSA-N 0 0 392.569 3.934 20 10 GHCDRN Cc1cc(C(=O)N2CC(OC(F)F)C2)c(C)n1-c1cccc(Br)c1 ZINC001297126250 1045458003 /nfs/dbraw/zinc/45/80/03/1045458003.db2.gz WJHVHCPMOWIRPD-UHFFFAOYSA-N 0 0 399.235 3.920 20 10 GHCDRN Cc1cc(Br)ccc1S(=O)(=O)Nc1cc(F)c(O)c(F)c1 ZINC001260460951 1045502379 /nfs/dbraw/zinc/50/23/79/1045502379.db2.gz FEIMVZJFCNCYRZ-UHFFFAOYSA-N 0 0 378.194 3.542 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCCC[C@@H]2C[C@H](C)O)ccc1C ZINC001297381809 1045507480 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Cc1cc(C(=O)CN2CCN(CCOC(C)C)CC2)c(C)n1-c1cccc(C)c1 ZINC000746494541 873096884 /nfs/dbraw/zinc/09/68/84/873096884.db2.gz IVLDDZNONCCWFF-UHFFFAOYSA-N 0 0 397.563 3.628 20 10 GHCDRN O=C1c2ccccc2N[C@H](c2cc(Cl)cc(F)c2O)N1C[C@@H]1CCCO1 ZINC000768266927 873197617 /nfs/dbraw/zinc/19/76/17/873197617.db2.gz XEJOAWLAHPPYFZ-SGTLLEGYSA-N 0 0 376.815 3.930 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(C(=O)OC)c(F)c2)cc1F ZINC000768569245 873394127 /nfs/dbraw/zinc/39/41/27/873394127.db2.gz NSWUJMNKYCGSAX-UHFFFAOYSA-N 0 0 376.403 3.528 20 10 GHCDRN Cc1noc(C)c1S(=O)(=O)[N-]c1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000921206183 882718780 /nfs/dbraw/zinc/71/87/80/882718780.db2.gz YJUFBOIMGWETSR-UHFFFAOYSA-N 0 0 375.475 3.704 20 10 GHCDRN Cc1cc(C(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)c(C)n1-c1ccccn1 ZINC000794355268 882718764 /nfs/dbraw/zinc/71/87/64/882718764.db2.gz TWDZKZRECJYJFU-UHFFFAOYSA-N 0 0 392.459 3.628 20 10 GHCDRN CCOc1ccc(N(CC(=O)Nc2ccc(C(=O)OC)cc2)CC2CC2)cc1 ZINC001196952125 873495194 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COC(=O)/C=C/c1cccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)c1 ZINC001197110293 873605875 /nfs/dbraw/zinc/60/58/75/873605875.db2.gz OYXSYTVRMWORPB-FMIVXFBMSA-N 0 0 383.425 3.532 20 10 GHCDRN O=S(=O)(NCCOc1ccccn1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197187232 873620529 /nfs/dbraw/zinc/62/05/29/873620529.db2.gz AUFBGKCUCWBBDN-GHVJWSGMSA-N 0 0 382.445 3.854 20 10 GHCDRN COc1cccc(CNS(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)n1 ZINC001197188337 873621939 /nfs/dbraw/zinc/62/19/39/873621939.db2.gz VNVLXFHSWSXGME-GHVJWSGMSA-N 0 0 382.445 3.984 20 10 GHCDRN COc1ccc(CNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)c(O)c1 ZINC000794387395 882744928 /nfs/dbraw/zinc/74/49/28/882744928.db2.gz GKBWDUFZEVWPTI-UHFFFAOYSA-N 0 0 390.439 3.833 20 10 GHCDRN CCCOc1c(Cl)cc(C(=O)NCCc2ccc(O)c(O)c2)cc1OC ZINC000768900222 873659455 /nfs/dbraw/zinc/65/94/55/873659455.db2.gz AXAUFLBOMQACAZ-UHFFFAOYSA-N 0 0 379.840 3.521 20 10 GHCDRN CCOc1ccc(-c2nc(C)c(C(=O)NCCc3ccc(O)c(O)c3)s2)cc1 ZINC000768899760 873659675 /nfs/dbraw/zinc/65/96/75/873659675.db2.gz 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376.840 3.993 20 10 GHCDRN CCOc1ccc(CN2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c(O)c1 ZINC000769537212 874141232 /nfs/dbraw/zinc/14/12/32/874141232.db2.gz IYMRAQPMVDQBAB-LJQANCHMSA-N 0 0 379.403 3.966 20 10 GHCDRN CO[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)C1 ZINC000769551459 874154601 /nfs/dbraw/zinc/15/46/01/874154601.db2.gz MYNZJPZZNNAFLL-WOJBJXKFSA-N 0 0 392.459 3.845 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NS(=O)(=O)c1cccc(Cl)n1 ZINC001198263141 874293492 /nfs/dbraw/zinc/29/34/92/874293492.db2.gz IMWRBPJXKPXBRC-KRWDZBQOSA-N 0 0 380.897 3.659 20 10 GHCDRN O=C(c1ccncc1)c1ccccc1NC(=S)Nc1ccc2c(c1)OCO2 ZINC001198300086 874335309 /nfs/dbraw/zinc/33/53/09/874335309.db2.gz ZYNRVCRBQJBHMM-UHFFFAOYSA-N 0 0 377.425 3.850 20 10 GHCDRN CCCCNC(=O)c1ccc(C[NH2+]Cc2c(O)cccc2Br)cc1 ZINC000858097450 882842364 /nfs/dbraw/zinc/84/23/64/882842364.db2.gz MWNABFHVIDPLHF-UHFFFAOYSA-N 0 0 391.309 3.974 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000115855579 882843703 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GHCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000770631228 874806971 /nfs/dbraw/zinc/80/69/71/874806971.db2.gz SYLLKQWEUBBSQJ-UHFFFAOYSA-N 0 0 395.842 3.955 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)[C@H](OC)c2ccc(F)cc2)c1 ZINC000770830839 874904743 /nfs/dbraw/zinc/90/47/43/874904743.db2.gz NIDXBAWCUMNPST-JMERFSKESA-N 0 0 376.428 3.676 20 10 GHCDRN CCc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)cnn1-c1ccc(OC)cc1 ZINC000771103777 875040072 /nfs/dbraw/zinc/04/00/72/875040072.db2.gz NMQQIMRNMNRPHW-UHFFFAOYSA-N 0 0 392.503 3.782 20 10 GHCDRN C[C@H](NC(=O)N1C[C@@H](C)C(F)(F)[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000858159775 882897396 /nfs/dbraw/zinc/89/73/96/882897396.db2.gz FQGURZUOKWAKLW-XHSDSOJGSA-N 0 0 381.467 3.517 20 10 GHCDRN COc1ccc2cc(NC(=O)NCc3ccc4c(c3)CCCN4C)ccc2n1 ZINC001199678447 875122278 /nfs/dbraw/zinc/12/22/78/875122278.db2.gz KGUWSSQSQWZFJU-UHFFFAOYSA-N 0 0 376.460 3.948 20 10 GHCDRN CC[C@H](NC(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1nc(C)cs1 ZINC000105228406 875136510 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GHCDRN O=C(Cc1noc(-c2ccc(-n3cccc3)cc2)n1)NCc1ccc(F)cc1F ZINC000771606049 875342009 /nfs/dbraw/zinc/34/20/09/875342009.db2.gz ICHKLXBHGYMZQO-UHFFFAOYSA-N 0 0 394.381 3.664 20 10 GHCDRN Cc1cccc(CNC(=O)Cc2noc(-c3ccc(-n4cccc4)c(F)c3)n2)c1 ZINC000771624338 875349443 /nfs/dbraw/zinc/34/94/43/875349443.db2.gz NUXXFNJFWWZAAZ-UHFFFAOYSA-N 0 0 390.418 3.834 20 10 GHCDRN COc1cccc(CNC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)c1O ZINC000105650962 875355772 /nfs/dbraw/zinc/35/57/72/875355772.db2.gz FTBINKBIDFUGQN-CABCVRRESA-N 0 0 376.250 3.583 20 10 GHCDRN S=C(NCc1cccc(OC2COC2)n1)Nc1cc(Cl)cc(Cl)c1 ZINC001201008154 875460478 /nfs/dbraw/zinc/46/04/78/875460478.db2.gz WMDZRPQPHHCVLQ-UHFFFAOYSA-N 0 0 384.288 3.653 20 10 GHCDRN O=C(OCc1ncc(Cl)s1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000771880792 875513097 /nfs/dbraw/zinc/51/30/97/875513097.db2.gz BCFUZOOAUHIYOJ-UHFFFAOYSA-N 0 0 383.812 3.929 20 10 GHCDRN CC(C)c1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n(C)n1 ZINC000746518485 875585578 /nfs/dbraw/zinc/58/55/78/875585578.db2.gz 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C[C@@H](NC(=O)C(=O)N[C@@H](c1ccccc1)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000788236894 877970975 /nfs/dbraw/zinc/97/09/75/877970975.db2.gz YLPYKSVVJZQQJC-UZLBHIALSA-N 0 0 381.520 3.833 20 10 GHCDRN COc1ccc([C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C2CC2)cc1 ZINC000851928948 877980980 /nfs/dbraw/zinc/98/09/80/877980980.db2.gz DIRZCOVFWRDXTB-AVRDEDQJSA-N 0 0 395.503 3.733 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1CCSc2ccccc21 ZINC000851938629 877989612 /nfs/dbraw/zinc/98/96/12/877989612.db2.gz VLHRVHLXDDJLFT-FQEVSTJZSA-N 0 0 397.544 3.684 20 10 GHCDRN Cc1cc([C@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c(C)s1 ZINC000851952972 877995942 /nfs/dbraw/zinc/99/59/42/877995942.db2.gz URGIHABTMSSBFN-HNNXBMFYSA-N 0 0 387.549 3.886 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)NCc3ccccc3OC(C)C)C2)cc1 ZINC000851968135 878005866 /nfs/dbraw/zinc/00/58/66/878005866.db2.gz SLSADOCOBKDWPZ-SFHVURJKSA-N 0 0 383.492 3.561 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)NC[C@H]3C(C)(C)C3(F)F)cc2F)C[C@H](C)O1 ZINC000851990438 878018958 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COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3ccc4ncsc4c3)C2)cc1 ZINC000852263563 878183685 /nfs/dbraw/zinc/18/36/85/878183685.db2.gz IJSXKRUZZGLINQ-HOCLYGCPSA-N 0 0 396.516 3.944 20 10 GHCDRN C[C@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)[C@H]1c1cccc(F)c1 ZINC000746755797 878234690 /nfs/dbraw/zinc/23/46/90/878234690.db2.gz KLLWKYKDNOFPGM-HTAPYJJXSA-N 0 0 397.494 3.955 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(C(C)(F)F)cc3)C2)cc1 ZINC000852356277 878275455 /nfs/dbraw/zinc/27/54/55/878275455.db2.gz ZTIUVRZWKVIICC-KRWDZBQOSA-N 0 0 389.446 3.885 20 10 GHCDRN C[C@H]1c2ccccc2CN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000746758641 878276550 /nfs/dbraw/zinc/27/65/50/878276550.db2.gz NMDWDDCVLDOFHU-HNNXBMFYSA-N 0 0 383.467 3.573 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2cc([C@@H]3CCCO3)nn2C)cc1 ZINC000788727563 878280575 /nfs/dbraw/zinc/28/05/75/878280575.db2.gz VJLLZXCXPDGNSG-IBGZPJMESA-N 0 0 385.512 3.782 20 10 GHCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C(C)(C)C1 ZINC000746760624 878291319 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O=Cc1c[nH]c2cc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)ccc12 ZINC000860348707 884584059 /nfs/dbraw/zinc/58/40/59/884584059.db2.gz ZOHXSYNPXMLBJY-SFHVURJKSA-N 0 0 378.428 3.507 20 10 GHCDRN CCn1nc(NC(=O)NCc2cc(Br)ccc2O)cc1C1CC1 ZINC000806332634 884596719 /nfs/dbraw/zinc/59/67/19/884596719.db2.gz GPJBGVAEBGTWLC-UHFFFAOYSA-N 0 0 379.258 3.570 20 10 GHCDRN CC(C)(C)OC(=O)NC[C@H]1CCC(F)(F)CN1Cc1cc(F)c(F)cc1O ZINC001142534272 884603277 /nfs/dbraw/zinc/60/32/77/884603277.db2.gz CMHDFOVGOFUWNB-GFCCVEGCSA-N 0 0 392.393 3.795 20 10 GHCDRN COc1ccc(NC(=O)NCc2cc(Br)ccc2O)c(Cl)n1 ZINC000806350285 884609399 /nfs/dbraw/zinc/60/93/99/884609399.db2.gz QPHQSYABFULPCB-UHFFFAOYSA-N 0 0 386.633 3.533 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2nccc(C)n2)c(C)n1-c1ccc(C)c(C)c1 ZINC000795800250 912844189 /nfs/dbraw/zinc/84/41/89/912844189.db2.gz KLJJRUZXNZNYRF-UHFFFAOYSA-N 0 0 377.444 3.849 20 10 GHCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cnc(C(C)(C)C)nc2)cc1 ZINC000806382720 884622409 /nfs/dbraw/zinc/62/24/09/884622409.db2.gz 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ZINC000860597056 884838496 /nfs/dbraw/zinc/83/84/96/884838496.db2.gz CUUUIJCUYCNNGV-UHFFFAOYSA-N 0 0 392.503 3.620 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1cccc(C(=O)NCCOC)c1 ZINC000806629587 884884368 /nfs/dbraw/zinc/88/43/68/884884368.db2.gz NGSIAVNTXTYIOI-UHFFFAOYSA-N 0 0 399.491 3.603 20 10 GHCDRN CCCCS(=O)(=O)Nc1ccc(NC(=O)NCc2cc(C)ccc2O)cc1 ZINC000860675851 884906483 /nfs/dbraw/zinc/90/64/83/884906483.db2.gz SQEUESDSVFQXGG-UHFFFAOYSA-N 0 0 391.493 3.564 20 10 GHCDRN Cc1cc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c(C)n1-c1ccccn1 ZINC000914846972 884930944 /nfs/dbraw/zinc/93/09/44/884930944.db2.gz FYBSSMPISUTSNB-UHFFFAOYSA-N 0 0 385.471 3.947 20 10 GHCDRN Cc1cc(C(=O)N2CCN(Cc3cccc(C)c3)CC2)c(C)n1-c1ccccn1 ZINC000914847160 884934342 /nfs/dbraw/zinc/93/43/42/884934342.db2.gz VHFDYUTYNRREBF-UHFFFAOYSA-N 0 0 388.515 3.756 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cccc(OCC(F)F)n2)cc1 ZINC000760253060 885005808 /nfs/dbraw/zinc/00/58/08/885005808.db2.gz DZNMBFFCTPYYAD-UHFFFAOYSA-N 0 0 377.435 3.844 20 10 GHCDRN COc1cccc(CNC(=O)Nc2cc(C)c(Br)cc2F)c1O ZINC000806810853 885010100 /nfs/dbraw/zinc/01/01/00/885010100.db2.gz FFBRSFRZFXDSPC-UHFFFAOYSA-N 0 0 383.217 3.933 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000806819258 885032240 /nfs/dbraw/zinc/03/22/40/885032240.db2.gz CJHORGNDVOTVLO-GOSISDBHSA-N 0 0 395.425 3.613 20 10 GHCDRN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(Sc1nccs1)n2CC ZINC000914862804 885034929 /nfs/dbraw/zinc/03/49/29/885034929.db2.gz HAOLBJUVBDNEAU-UHFFFAOYSA-N 0 0 396.563 3.694 20 10 GHCDRN COCCn1c(=O)c2c3c(sc2nc1Sc1nccs1)CCCC3 ZINC000914863134 885035452 /nfs/dbraw/zinc/03/54/52/885035452.db2.gz IPNPPKQQKJVSNG-UHFFFAOYSA-N 0 0 379.532 3.591 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3ccc(-c4csnn4)cc3)C2)cc1 ZINC000860841972 885042258 /nfs/dbraw/zinc/04/22/58/885042258.db2.gz GBNXCJGWTAYDSG-HNNXBMFYSA-N 0 0 395.484 3.897 20 10 GHCDRN CON(CC(C)(C)C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000806878542 885078702 /nfs/dbraw/zinc/07/87/02/885078702.db2.gz 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/nfs/dbraw/zinc/33/03/03/885330303.db2.gz BPGNCFTWUXFGQM-UHFFFAOYSA-N 0 0 391.519 3.729 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1cnn2ccccc12 ZINC000807462522 885458202 /nfs/dbraw/zinc/45/82/02/885458202.db2.gz FCWDPEBKEKFWKD-UHFFFAOYSA-N 0 0 377.492 3.666 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)Cc2csc3ccccc23)cc1 ZINC000919367899 885494777 /nfs/dbraw/zinc/49/47/77/885494777.db2.gz QDYKACWWHATGKD-UHFFFAOYSA-N 0 0 396.512 3.712 20 10 GHCDRN Cc1cc(CC(=O)NC[C@H](C)Cn2ccnc2)c(C)n1-c1ccc(Cl)cc1 ZINC000747400716 885506047 /nfs/dbraw/zinc/50/60/47/885506047.db2.gz LKANWOCEXJRGCZ-HNNXBMFYSA-N 0 0 384.911 3.939 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)[C@@H](O)Cc1ccccc1 ZINC000747403543 885538114 /nfs/dbraw/zinc/53/81/14/885538114.db2.gz SJKAJDQEUYWGEA-CVDCTZTESA-N 0 0 395.547 3.714 20 10 GHCDRN Cc1ccncc1[C@@H](C)NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000807579302 885546068 /nfs/dbraw/zinc/54/60/68/885546068.db2.gz NESVIGLAOCWDTF-QGZVFWFLSA-N 0 0 395.503 3.634 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CCCC1(F)F ZINC000807598841 885591826 /nfs/dbraw/zinc/59/18/26/885591826.db2.gz ZKMFHDVBDKZEIS-CYBMUJFWSA-N 0 0 377.229 3.874 20 10 GHCDRN Cc1ccc(CN(C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C2CC2)cc1C ZINC000807671821 885623161 /nfs/dbraw/zinc/62/31/61/885623161.db2.gz TUSQNGROYUWQIT-GOSISDBHSA-N 0 0 393.531 3.738 20 10 GHCDRN CCCN(C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCc2ccccc21 ZINC000807678196 885628157 /nfs/dbraw/zinc/62/81/57/885628157.db2.gz HBHOXRMOEXAEQX-HTAPYJJXSA-N 0 0 393.531 3.856 20 10 GHCDRN CCc1cc(Cl)cnc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000861614572 885698228 /nfs/dbraw/zinc/69/82/28/885698228.db2.gz OVUHATHYYDOGCN-UHFFFAOYSA-N 0 0 388.899 3.798 20 10 GHCDRN CCCOc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1C ZINC000861631231 885710657 /nfs/dbraw/zinc/71/06/57/885710657.db2.gz WZDBXFGEPYCBNM-UHFFFAOYSA-N 0 0 383.492 3.942 20 10 GHCDRN CN(c1ccc(CNC(=O)NCc2noc3c2COCC3)cc1)C1CCCCC1 ZINC000915090075 885743867 /nfs/dbraw/zinc/74/38/67/885743867.db2.gz RKTYQVVHSAQUHV-UHFFFAOYSA-N 0 0 398.507 3.516 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCOC[C@H]2CC(F)F)ccc1C ZINC000861684076 885761488 /nfs/dbraw/zinc/76/14/88/885761488.db2.gz IKPHYFZRYVHHSD-GOSISDBHSA-N 0 0 390.430 3.711 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1noc2cccnc21)c1ccccc1O ZINC001184072511 912975843 /nfs/dbraw/zinc/97/58/43/912975843.db2.gz UZULKNXQMPJSTB-CYBMUJFWSA-N 0 0 398.419 3.523 20 10 GHCDRN CC(=O)c1ccc([N+](=O)[O-])cc1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000807929334 885865786 /nfs/dbraw/zinc/86/57/86/885865786.db2.gz IZKFOQOBUBSOAR-UHFFFAOYSA-N 0 0 383.448 3.618 20 10 GHCDRN CC(C)=CCCNC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000807952341 885891021 /nfs/dbraw/zinc/89/10/21/885891021.db2.gz GPGQNKWLARRANA-MRXNPFEDSA-N 0 0 391.943 3.665 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC[C@](CO)(C(C)C)C1 ZINC000861840845 885917389 /nfs/dbraw/zinc/91/73/89/885917389.db2.gz LUNQIVVPPQDSQK-QHCPKHFHSA-N 0 0 382.504 3.777 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC[C@@](CO)(C(C)C)C2)c1 ZINC000861840556 885917781 /nfs/dbraw/zinc/91/77/81/885917781.db2.gz IITRECWLMUVONT-HSZRJFAPSA-N 0 0 382.504 3.777 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC[C@@](CO)(C(C)C)C2)cc1 ZINC000861841768 885918834 /nfs/dbraw/zinc/91/88/34/885918834.db2.gz UZQSLUPZMXIMLB-XMMPIXPASA-N 0 0 396.531 3.706 20 10 GHCDRN CC[C@H](C)n1c(SCC(=O)C(C)=O)nc2sc3c(c2c1=O)CCCCC3 ZINC000808010228 885928243 /nfs/dbraw/zinc/92/82/43/885928243.db2.gz PDQGKMAUAPAKDS-NSHDSACASA-N 0 0 392.546 3.948 20 10 GHCDRN Cc1cc(C(=O)NCC2(c3ccccc3)CCOCC2)c(C)n1-c1ccccn1 ZINC000915199790 885999691 /nfs/dbraw/zinc/99/96/91/885999691.db2.gz MFGLDOOWMHDYNG-UHFFFAOYSA-N 0 0 389.499 3.967 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc2c(C(C)C)nn(C)c2s1 ZINC000808095810 886012267 /nfs/dbraw/zinc/01/22/67/886012267.db2.gz UGBHGMIMXXBXTF-UHFFFAOYSA-N 0 0 378.494 3.880 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1csc(-c2cccs2)n1 ZINC000808095016 886012532 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20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)c3nccc4occc43)cc2F)C[C@H](C)O1 ZINC000822688153 898564401 /nfs/dbraw/zinc/56/44/01/898564401.db2.gz LJSNULFYQIYOAK-KBPBESRZSA-N 0 0 383.423 3.511 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(OC)c(-c3ccccn3)c2)c1 ZINC000133534901 898588605 /nfs/dbraw/zinc/58/86/05/898588605.db2.gz JLIOQYFXFFBDJU-CQSZACIVSA-N 0 0 378.428 3.962 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)NCc3cc4ccccc4o3)C2)cc1 ZINC000822729360 898592901 /nfs/dbraw/zinc/59/29/01/898592901.db2.gz WADPRMBZCQVBLD-MRXNPFEDSA-N 0 0 379.460 3.767 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)NCc3ccc(SC)cc3)C2)cc1 ZINC000822766240 898637243 /nfs/dbraw/zinc/63/72/43/898637243.db2.gz PBUSNOKHEPFGGH-QGZVFWFLSA-N 0 0 385.533 3.743 20 10 GHCDRN CCC[C@H](NC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccccn1 ZINC000822957008 898755972 /nfs/dbraw/zinc/75/59/72/898755972.db2.gz ULWGKZOHYVQBTB-UTKZUKDTSA-N 0 0 382.508 3.757 20 10 GHCDRN CCc1nc([C@H](C)NC(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)cs1 ZINC000823030919 898797696 /nfs/dbraw/zinc/79/76/96/898797696.db2.gz CRXCAIRIRZLFCA-GJZGRUSLSA-N 0 0 388.537 3.601 20 10 GHCDRN C[C@H](CSc1ncc(-c2ccccc2)n1Cc1ccco1)CS(C)(=O)=O ZINC000155482484 898829206 /nfs/dbraw/zinc/82/92/06/898829206.db2.gz DMZCSOPGPXAZAV-OAHLLOKOSA-N 0 0 390.530 3.964 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3ccc(-c4nncs4)cc3)C2)cc1 ZINC000823145848 898849589 /nfs/dbraw/zinc/84/95/89/898849589.db2.gz FIRJVRLFKNJHRO-INIZCTEOSA-N 0 0 395.488 3.614 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3c(C)c(=O)[nH]c4ccccc43)C2)cc1 ZINC000823201467 898899024 /nfs/dbraw/zinc/89/90/24/898899024.db2.gz FNYJWZDJUDDYNC-INIZCTEOSA-N 0 0 391.471 3.514 20 10 GHCDRN COCCN(Cc1nnc(-c2ccccc2)s1)c1ccc(OC)c(OC)c1 ZINC000155572031 898909897 /nfs/dbraw/zinc/90/98/97/898909897.db2.gz VOCBEASSOCYRRZ-UHFFFAOYSA-N 0 0 385.489 3.875 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)NCc3nc(C(C)C)cs3)C2)cc1 ZINC000823310078 898946232 /nfs/dbraw/zinc/94/62/32/898946232.db2.gz RMCRIDTXQIRFBY-HNNXBMFYSA-N 0 0 388.537 3.601 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)c3ccc(OCC(F)F)nc3)cc2)CC1 ZINC001136705289 898950190 /nfs/dbraw/zinc/95/01/90/898950190.db2.gz HTFVXVZTJNIVMP-UHFFFAOYSA-N 0 0 389.446 3.892 20 10 GHCDRN O=C(Nc1cccc(N2CCCCC2)c1)c1cc(F)cc(N2CCOCC2)c1 ZINC000823321837 898951020 /nfs/dbraw/zinc/95/10/20/898951020.db2.gz HTESGPCZMPBSNA-UHFFFAOYSA-N 0 0 383.467 3.905 20 10 GHCDRN COc1cccc2c(C(=O)NCc3ccc(N4CCC(C)CC4)cc3)cnn21 ZINC001136705385 898951367 /nfs/dbraw/zinc/95/13/67/898951367.db2.gz KTPHKKSGRAMEAG-UHFFFAOYSA-N 0 0 378.476 3.509 20 10 GHCDRN CC[C@H]([NH2+]CCc1ccc(S(=O)(=O)N(CC)CC)s1)c1ccccc1O ZINC000155642103 898966654 /nfs/dbraw/zinc/96/66/54/898966654.db2.gz CXZLFSSOFGKCPW-KRWDZBQOSA-N 0 0 396.578 3.768 20 10 GHCDRN COc1ccc(CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C2CC2)cc1 ZINC000155667284 898983148 /nfs/dbraw/zinc/98/31/48/898983148.db2.gz IYCJFXREPNMIQP-UHFFFAOYSA-N 0 0 377.488 3.946 20 10 GHCDRN CON(C[C@H]1CCC[C@H](C)C1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823523860 899071597 /nfs/dbraw/zinc/07/15/97/899071597.db2.gz LBEDAFBXFGENJI-HKUYNNGSSA-N 0 0 389.540 3.547 20 10 GHCDRN Cc1cc(Br)c(O)c(CNc2ccccc2CN2CCOCC2)c1 ZINC000823538921 899078798 /nfs/dbraw/zinc/07/87/98/899078798.db2.gz TXTITEVSVGNWKF-UHFFFAOYSA-N 0 0 391.309 3.907 20 10 GHCDRN CC[C@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823547803 899105587 /nfs/dbraw/zinc/10/55/87/899105587.db2.gz BIHNCVZHDBIXOX-OAQYLSRUSA-N 0 0 395.547 3.810 20 10 GHCDRN Cc1cc(C(=O)N[C@H](C)CCCO)c(C)n1-c1cccc(Br)c1 ZINC000155881001 899174253 /nfs/dbraw/zinc/17/42/53/899174253.db2.gz MIJTUEZNVXKLET-GFCCVEGCSA-N 0 0 379.298 3.747 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000823726250 899223689 /nfs/dbraw/zinc/22/36/89/899223689.db2.gz QDQPWGDXJYDENW-AWEZNQCLSA-N 0 0 385.430 3.505 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N3C[C@H](C)[C@H]3c3ccccc3)C2)cc1 ZINC000823725805 899225981 /nfs/dbraw/zinc/22/59/81/899225981.db2.gz IKILIBYWKFGILF-SVMVAKDDSA-N 0 0 379.504 3.924 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3c(OC)cccc3SC)C2)cc1 ZINC000823830481 899259431 /nfs/dbraw/zinc/25/94/31/899259431.db2.gz UNLHRLJQRIUUSS-AWEZNQCLSA-N 0 0 387.505 3.826 20 10 GHCDRN C[C@H](NC(=O)c1cccc(N2CCCC2)c1)c1ccc(N2CCOCC2)cc1 ZINC000823834474 899270884 /nfs/dbraw/zinc/27/08/84/899270884.db2.gz FZTXSANSPLPOOD-SFHVURJKSA-N 0 0 379.504 3.614 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3ccc(Cl)nc3Cl)C2)cc1 ZINC000824017093 899367961 /nfs/dbraw/zinc/36/79/61/899367961.db2.gz AWRRMTIJSZOGOB-LBPRGKRZSA-N 0 0 380.275 3.653 20 10 GHCDRN CCOc1cc(NC(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)ccc1OC ZINC000824090707 899390305 /nfs/dbraw/zinc/39/03/05/899390305.db2.gz JLYDKZJDNUUNND-MRXNPFEDSA-N 0 0 399.491 3.751 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)Nc3ccn(CCC(C)C)n3)C2)cc1 ZINC000824240794 899486720 /nfs/dbraw/zinc/48/67/20/899486720.db2.gz OIFFQERWFDVQNS-KRWDZBQOSA-N 0 0 385.512 3.586 20 10 GHCDRN CCOc1ccc(NC(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)c(F)c1 ZINC000824374598 899571344 /nfs/dbraw/zinc/57/13/44/899571344.db2.gz KNZXLWRADNGTRC-OAHLLOKOSA-N 0 0 387.455 3.881 20 10 GHCDRN COCc1cc(Cl)ccc1NC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000824461136 899643177 /nfs/dbraw/zinc/64/31/77/899643177.db2.gz RGVWKQYWUBLSEI-UHFFFAOYSA-N 0 0 389.883 3.849 20 10 GHCDRN CC(=O)Nc1cccc(NC(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000016386722 899699531 /nfs/dbraw/zinc/69/95/31/899699531.db2.gz BTAVMYFWPWDSDP-UHFFFAOYSA-N 0 0 394.519 3.706 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N3CCCc4ccccc4C3)C2)cc1 ZINC000824685516 899765535 /nfs/dbraw/zinc/76/55/35/899765535.db2.gz FVIMUXCDZCYYMM-SFHVURJKSA-N 0 0 379.504 3.680 20 10 GHCDRN CCN(CC)c1ccc(CNc2cccc(C3CC(=O)NC(=O)C3)c2)cc1F ZINC000824695775 899773585 /nfs/dbraw/zinc/77/35/85/899773585.db2.gz CNSLXRIXOCHVSX-UHFFFAOYSA-N 0 0 383.467 3.804 20 10 GHCDRN CCS[C@@H](C)c1noc(CN(C)Cc2ccc(Br)cc2O)n1 ZINC000824933250 899894968 /nfs/dbraw/zinc/89/49/68/899894968.db2.gz CLEFGAGJDSSRNQ-JTQLQIEISA-N 0 0 386.315 3.984 20 10 GHCDRN Oc1cc(Br)ccc1CNc1cccc(CN2CCOCC2)c1 ZINC000825003702 899914078 /nfs/dbraw/zinc/91/40/78/899914078.db2.gz WSKDVWXFXMBISS-UHFFFAOYSA-N 0 0 377.282 3.599 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc2c(c1)CCN(C)C2=O ZINC000825051236 899951947 /nfs/dbraw/zinc/95/19/47/899951947.db2.gz YTPPPZIVQJXDLS-UHFFFAOYSA-N 0 0 394.519 3.823 20 10 GHCDRN CC1(C)CCC[C@@](O)(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000825429972 900139537 /nfs/dbraw/zinc/13/95/37/900139537.db2.gz SEZLAKWDCXYMLU-NRFANRHFSA-N 0 0 396.478 3.704 20 10 GHCDRN C[C@H](Cc1ccco1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000825429834 900139638 /nfs/dbraw/zinc/13/96/38/900139638.db2.gz PKCOKJAEXWEFJK-CQSZACIVSA-N 0 0 378.419 3.845 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000825498488 900200082 /nfs/dbraw/zinc/20/00/82/900200082.db2.gz IFPGSUXNISIRRE-NHCUHLMSSA-N 0 0 396.506 3.987 20 10 GHCDRN Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1O ZINC000825481587 900213530 /nfs/dbraw/zinc/21/35/30/900213530.db2.gz OEPWUQPBFZGNHE-LJQANCHMSA-N 0 0 384.476 3.925 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2CCO[C@H](C)C2)c(C)n1-c1ccc(Br)cn1 ZINC000843846740 900243780 /nfs/dbraw/zinc/24/37/80/900243780.db2.gz UOFSOQPFZQBJPG-IUODEOHRSA-N 0 0 392.297 3.549 20 10 GHCDRN CCS[C@@H](C)c1noc(CN(C)C(=O)c2cc(C)n(-c3ccccn3)c2C)n1 ZINC000135496279 900249587 /nfs/dbraw/zinc/24/95/87/900249587.db2.gz NTCCAAXKSWCCKY-HNNXBMFYSA-N 0 0 399.520 3.958 20 10 GHCDRN CCc1noc([C@H]2CC[C@@H](NC(=O)c3cc(C)n(-c4ccccn4)c3C)C2)n1 ZINC000885182439 900416905 /nfs/dbraw/zinc/41/69/05/900416905.db2.gz VLDGVYZSTDQWJR-JKSUJKDBSA-N 0 0 379.464 3.501 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)NCc1ccc(COCC(F)(F)F)cc1 ZINC000045379429 900739175 /nfs/dbraw/zinc/73/91/75/900739175.db2.gz JZSPRQGIRXNDEV-UHFFFAOYSA-N 0 0 382.382 3.813 20 10 GHCDRN C[C@H](NC(=O)c1cc(F)cc2ccncc21)c1ccc(N2CCOCC2)cc1 ZINC000844352143 900749088 /nfs/dbraw/zinc/74/90/88/900749088.db2.gz UPXJWCUHQRBKHS-HNNXBMFYSA-N 0 0 379.435 3.702 20 10 GHCDRN Cc1cc(C(=O)N2CCC3(CC2)C[C@@H](O)CCO3)c(C)n1-c1cc(C)cc(C)c1 ZINC000886110298 900791910 /nfs/dbraw/zinc/79/19/10/900791910.db2.gz CKTKJXOVHJKIBE-NRFANRHFSA-N 0 0 396.531 3.857 20 10 GHCDRN CC[C@@H](O)[C@@H]1CCCCN1C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC001144005698 900878212 /nfs/dbraw/zinc/87/82/12/900878212.db2.gz AJORCGLUUXFQGO-XZOQPEGZSA-N 0 0 397.563 3.560 20 10 GHCDRN O=C(NCc1cc(Cl)ccc1O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000844500041 900940574 /nfs/dbraw/zinc/94/05/74/900940574.db2.gz CVBLXMASQUITPD-KRWDZBQOSA-N 0 0 376.840 3.925 20 10 GHCDRN CC(C)Cn1cnc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)c1 ZINC000158139020 901052832 /nfs/dbraw/zinc/05/28/32/901052832.db2.gz BIOGAGVTHQBFGQ-UHFFFAOYSA-N 0 0 391.537 3.768 20 10 GHCDRN COc1cc(CN(C(=O)NCc2ccc(N3CCCC3)cc2)C2CC2)ccc1O ZINC000067391059 901052806 /nfs/dbraw/zinc/05/28/06/901052806.db2.gz QTKRCGHTJFIUHM-UHFFFAOYSA-N 0 0 395.503 3.875 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2ccc(C(F)(F)F)nc2)cc1 ZINC000844590563 901058019 /nfs/dbraw/zinc/05/80/19/901058019.db2.gz QZQZKPYEEATSRS-UHFFFAOYSA-N 0 0 382.386 3.709 20 10 GHCDRN CC1(C)C[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)c2cc(F)ccc2O1 ZINC000844738380 901254281 /nfs/dbraw/zinc/25/42/81/901254281.db2.gz OASOQKAIJOONRK-INIZCTEOSA-N 0 0 384.407 3.598 20 10 GHCDRN COC(=O)c1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1OC ZINC000844777980 901259420 /nfs/dbraw/zinc/25/94/20/901259420.db2.gz VJDQUVWKXIFYCK-UHFFFAOYSA-N 0 0 399.491 3.990 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)c2cn(CC(C)C)nc2C(F)F)cc1 ZINC000844856154 901363213 /nfs/dbraw/zinc/36/32/13/901363213.db2.gz DXOSLIXFZJWEBB-UHFFFAOYSA-N 0 0 394.466 3.694 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)c2cnn(CC(C)C)c2C2CC2)cc1 ZINC000844856310 901363730 /nfs/dbraw/zinc/36/37/30/901363730.db2.gz OFPTWVAUTIVCDA-UHFFFAOYSA-N 0 0 384.524 3.634 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)c2nc(-c3ccccc3)oc2C)cc1 ZINC000844852497 901445513 /nfs/dbraw/zinc/44/55/13/901445513.db2.gz KZXXTXCBAUTCLM-UHFFFAOYSA-N 0 0 379.460 3.867 20 10 GHCDRN COCc1c2ccccc2oc1C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844851817 901445897 /nfs/dbraw/zinc/44/58/97/901445897.db2.gz HYVGSRNOKWTLAE-UHFFFAOYSA-N 0 0 382.460 3.796 20 10 GHCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCc2ccccc21 ZINC000844896509 901476446 /nfs/dbraw/zinc/47/64/46/901476446.db2.gz BGIROPBCLNLQMT-QGZVFWFLSA-N 0 0 397.494 3.534 20 10 GHCDRN CCN(CCSC)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000826542576 901544526 /nfs/dbraw/zinc/54/45/26/901544526.db2.gz QXYSJCQQJIJWKH-AWEZNQCLSA-N 0 0 387.496 3.651 20 10 GHCDRN CO[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000844944589 901608863 /nfs/dbraw/zinc/60/88/63/901608863.db2.gz MFWSJHXHDZKZQD-QZTJIDSGSA-N 0 0 397.466 3.514 20 10 GHCDRN COc1ccccc1O[C@H]1CC[N@H+](Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144299728 901651701 /nfs/dbraw/zinc/65/17/01/901651701.db2.gz HMNMGDGBHYQFPB-ZDUSSCGKSA-N 0 0 396.256 3.956 20 10 GHCDRN COc1cc(C)cc(/C=C2\SC(=S)N(Cc3cc(C)on3)C2=O)c1OC ZINC000887272467 901707446 /nfs/dbraw/zinc/70/74/46/901707446.db2.gz NUKQYCNZBGFVCY-NVNXTCNLSA-N 0 0 390.486 3.710 20 10 GHCDRN COc1ccc(/C=C2/SC(=S)N(CCCSC)C2=O)c(F)c1OC ZINC000887272553 901709347 /nfs/dbraw/zinc/70/93/47/901709347.db2.gz PFVCSSLLYGBTBA-FMIVXFBMSA-N 0 0 387.523 3.797 20 10 GHCDRN O=C(NCc1ccc(O)c(O)c1)c1cc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000778926495 901753201 /nfs/dbraw/zinc/75/32/01/901753201.db2.gz DGUJKGJZIVIXPR-UHFFFAOYSA-N 0 0 385.423 3.881 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CCCC1 ZINC000845115293 901797814 /nfs/dbraw/zinc/79/78/14/901797814.db2.gz VPTHWNBLCIDHMT-UHFFFAOYSA-N 0 0 390.443 3.749 20 10 GHCDRN CC(C)(C)OC(=O)c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cn1 ZINC000845191487 901886114 /nfs/dbraw/zinc/88/61/14/901886114.db2.gz ICULABTWRXXEEG-UHFFFAOYSA-N 0 0 381.476 3.567 20 10 GHCDRN COc1c(Cl)nc(Cl)nc1NCc1cc(Br)ccc1O ZINC001171168230 901902735 /nfs/dbraw/zinc/90/27/35/901902735.db2.gz QBXRULRUIJZXSL-UHFFFAOYSA-N 0 0 379.041 3.872 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H](c1ccccc1F)[C@@H](C)O ZINC000845263709 901984540 /nfs/dbraw/zinc/98/45/40/901984540.db2.gz ZWRQZYQDRAAEHF-MRUHUIDDSA-N 0 0 387.499 3.552 20 10 GHCDRN Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000124140193 902028885 /nfs/dbraw/zinc/02/88/85/902028885.db2.gz AYXDFEILIRJCIG-WOJBJXKFSA-N 0 0 384.545 3.685 20 10 GHCDRN CCc1noc(-c2ccnc(NCc3cc(Br)ccc3O)c2)n1 ZINC001171175544 902065800 /nfs/dbraw/zinc/06/58/00/902065800.db2.gz PLLQCWFEIPRLHB-UHFFFAOYSA-N 0 0 375.226 3.774 20 10 GHCDRN CNC(=O)CCSCC(=O)c1cc(C)n(-c2cccc(SC)c2)c1C ZINC000845337311 902072449 /nfs/dbraw/zinc/07/24/49/902072449.db2.gz SWWQNZFHQGMVJV-UHFFFAOYSA-N 0 0 376.547 3.868 20 10 GHCDRN Cc1ccccc1[C@@H]1C[C@H]1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000845381896 902127123 /nfs/dbraw/zinc/12/71/23/902127123.db2.gz OMIOLLZWOQMWSZ-HLAWJBBLSA-N 0 0 380.488 3.947 20 10 GHCDRN C[C@@H]([NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1ccc(F)cc1[O-] ZINC000290255209 914598193 /nfs/dbraw/zinc/59/81/93/914598193.db2.gz UPZFTWIKCAYFGC-CQSZACIVSA-N 0 0 397.450 3.751 20 10 GHCDRN CC(=O)Nc1cccc([C@@H](C)NC(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000125276490 902191934 /nfs/dbraw/zinc/19/19/34/902191934.db2.gz SEJSCDIDJOIEFY-MRXNPFEDSA-N 0 0 378.476 3.582 20 10 GHCDRN CC1CCN(c2cccc(NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)c2)CC1 ZINC000125515511 902304936 /nfs/dbraw/zinc/30/49/36/902304936.db2.gz WCVBAJBHMQCBLC-UHFFFAOYSA-N 0 0 399.516 3.608 20 10 GHCDRN COCCCOC1CCN(C(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC000126570136 902338028 /nfs/dbraw/zinc/33/80/28/902338028.db2.gz YEUPCXCGLUSIJH-UHFFFAOYSA-N 0 0 376.522 3.813 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000845790535 902396372 /nfs/dbraw/zinc/39/63/72/902396372.db2.gz AMAINSSKCBUHLN-CQSZACIVSA-N 0 0 376.250 3.679 20 10 GHCDRN Oc1cc(F)c(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)cc1F ZINC001144663507 902584041 /nfs/dbraw/zinc/58/40/41/902584041.db2.gz FYSXPJIWJCIOTR-UHFFFAOYSA-N 0 0 388.336 3.891 20 10 GHCDRN CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775034390 914650522 /nfs/dbraw/zinc/65/05/22/914650522.db2.gz RIHOURZEIRWXRS-SFHVURJKSA-N 0 0 395.843 3.695 20 10 GHCDRN 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O=C(NCCc1cccs1)C1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000179899209 906628131 /nfs/dbraw/zinc/62/81/31/906628131.db2.gz DHJBXBXTDNDITR-UHFFFAOYSA-N 0 0 378.925 3.678 20 10 GHCDRN Cc1cc(C(=O)Nc2cccc(F)c2-c2nc[nH]n2)c(C)n1-c1ccccn1 ZINC000365928878 921253125 /nfs/dbraw/zinc/25/31/25/921253125.db2.gz QBQHKPPGKCDMRN-UHFFFAOYSA-N 0 0 376.395 3.666 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000180711398 906826243 /nfs/dbraw/zinc/82/62/43/906826243.db2.gz UBBJNDWRKMKTLT-ZHLNUILUSA-N 0 0 393.361 3.730 20 10 GHCDRN NS(=O)(=O)c1cccc(Nc2ccccc2C(=O)c2ccc(Cl)cc2)c1 ZINC001174243535 906933420 /nfs/dbraw/zinc/93/34/20/906933420.db2.gz BDPAUPRYSRFJFU-UHFFFAOYSA-N 0 0 386.860 3.962 20 10 GHCDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000181193778 906938567 /nfs/dbraw/zinc/93/85/67/906938567.db2.gz KOKFVCHDFVXYAM-CYBMUJFWSA-N 0 0 396.457 3.890 20 10 GHCDRN COc1ccc(F)c(F)c1Nc1c(CC(N)=O)cccc1C(=O)c1ccccc1 ZINC001174423734 907013567 /nfs/dbraw/zinc/01/35/67/907013567.db2.gz JLXXSTPSKBPMQO-UHFFFAOYSA-N 0 0 396.393 3.976 20 10 GHCDRN CCc1nc2ccc(C(=O)N[C@@H]3c4c(c(C)cc(C)c4O)CC3(C)C)cn2n1 ZINC001174676170 907141083 /nfs/dbraw/zinc/14/10/83/907141083.db2.gz VRBVNNZPCOSFMU-HXUWFJFHSA-N 0 0 378.476 3.668 20 10 GHCDRN COc1ccc(OC)c(CCCNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773418916 907271680 /nfs/dbraw/zinc/27/16/80/907271680.db2.gz XIXDOEYHYNXUBA-MRXNPFEDSA-N 0 0 385.508 3.763 20 10 GHCDRN CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000773429385 907294659 /nfs/dbraw/zinc/29/46/59/907294659.db2.gz MYNMAHIOZHEQLD-GTNSWQLSSA-N 0 0 395.253 3.929 20 10 GHCDRN COc1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)cc1OC1CCCC1 ZINC000779482397 907309755 /nfs/dbraw/zinc/30/97/55/907309755.db2.gz DODSKYIHVKVKNL-DHZHZOJOSA-N 0 0 383.444 3.757 20 10 GHCDRN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(OCc2cccnc2)cc1 ZINC000779499032 907318589 /nfs/dbraw/zinc/31/85/89/907318589.db2.gz UCYCHARIDRFJTM-YLBKJFSISA-N 0 0 390.439 3.962 20 10 GHCDRN Cc1ccc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(N2CCCC2)n1 ZINC000773436137 907321439 /nfs/dbraw/zinc/32/14/39/907321439.db2.gz PSOKWBQDHGTRFP-QGZVFWFLSA-N 0 0 381.524 3.617 20 10 GHCDRN COC(=O)CCSCc1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000779513162 907356812 /nfs/dbraw/zinc/35/68/12/907356812.db2.gz UDAADCIOQSCAFY-VURMDHGXSA-N 0 0 387.457 3.546 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(c2ccccc2Cl)CCOCC1 ZINC000183421213 907385849 /nfs/dbraw/zinc/38/58/49/907385849.db2.gz LNJKEKRBZKKSNB-AWEZNQCLSA-N 0 0 389.879 3.547 20 10 GHCDRN COc1cccc(CCC(=O)n2c(=N)ccc(/N=N/c3ccccc3)c2N)n1 ZINC001175312889 907496202 /nfs/dbraw/zinc/49/62/02/907496202.db2.gz FCSCIZQZPCWSGV-MHWBOGJCSA-N 0 0 376.420 3.642 20 10 GHCDRN Cc1cc(C(=O)N2CCSC[C@H]2c2nccs2)c(C)n1-c1ccccn1 ZINC000184166531 907529117 /nfs/dbraw/zinc/52/91/17/907529117.db2.gz KFFOPZVKKQPQIR-INIZCTEOSA-N 0 0 384.530 3.876 20 10 GHCDRN COc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc(OC)c1Br ZINC000779543654 907544791 /nfs/dbraw/zinc/54/47/91/907544791.db2.gz CUXFGBVPEQWUNR-XQRVVYSFSA-N 0 0 394.221 3.529 20 10 GHCDRN Cc1ccc(S(=O)(=O)N(c2ccc(N)cc2)c2cccc3c2cnn3C)cc1 ZINC001175437221 907553447 /nfs/dbraw/zinc/55/34/47/907553447.db2.gz TXBGCKCUPYBKSZ-UHFFFAOYSA-N 0 0 392.484 3.991 20 10 GHCDRN COc1ccc(N(c2ccc(N)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)n1 ZINC001175583662 907623461 /nfs/dbraw/zinc/62/34/61/907623461.db2.gz BLAHNMTYESFMCX-UHFFFAOYSA-N 0 0 399.472 3.516 20 10 GHCDRN Cn1cc2c(cccc2Nc2c(CC(N)=O)cccc2C(=O)c2ccccc2)n1 ZINC001175591812 907626540 /nfs/dbraw/zinc/62/65/40/907626540.db2.gz JTWOJWWXQBRUJF-UHFFFAOYSA-N 0 0 384.439 3.576 20 10 GHCDRN COc1ccc(O)c(CNc2ccc(Cc3nnc4n3CCCCC4)cc2)c1 ZINC000185619315 907800754 /nfs/dbraw/zinc/80/07/54/907800754.db2.gz XVDOIRGMEYIEAK-UHFFFAOYSA-N 0 0 378.476 3.922 20 10 GHCDRN C[C@@H]([NH2+][C@@H](C)CCCO)c1cc(Br)cc(Br)c1[O-] ZINC000185688899 907813290 /nfs/dbraw/zinc/81/32/90/907813290.db2.gz VHXMVBBPLJXXBR-DTWKUNHWSA-N 0 0 381.108 3.729 20 10 GHCDRN COc1ccc(N(c2ccc(N)cc2)S(=O)(=O)c2ccc(C)cc2)cc1CO ZINC001175985513 907852057 /nfs/dbraw/zinc/85/20/57/907852057.db2.gz KKJLWVOEEPLZGZ-UHFFFAOYSA-N 0 0 398.484 3.605 20 10 GHCDRN CCN(Cc1ccccc1)c1ccc(CN2CCOC[C@@H]2c2noc(C)n2)cc1 ZINC000779612373 907883368 /nfs/dbraw/zinc/88/33/68/907883368.db2.gz AHYHHWZJIPRGOU-JOCHJYFZSA-N 0 0 392.503 3.978 20 10 GHCDRN COc1cccc(CN2CCOC[C@H]2c2c(C)nn(-c3ccccc3)c2C)c1O ZINC000779611522 907885221 /nfs/dbraw/zinc/88/52/21/907885221.db2.gz KHQKGFPHUHWNBZ-FQEVSTJZSA-N 0 0 393.487 3.777 20 10 GHCDRN CC(C)Cc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc(=O)[nH]1 ZINC000777424022 907887402 /nfs/dbraw/zinc/88/74/02/907887402.db2.gz FORSXYIRDPJHKC-IBGZPJMESA-N 0 0 384.476 3.513 20 10 GHCDRN Cc1ccc(Cn2nccc2NC(=O)c2cc(C)n(-c3ccccn3)c2C)o1 ZINC000192912747 908010486 /nfs/dbraw/zinc/01/04/86/908010486.db2.gz QRVDQDLWVFMDIJ-UHFFFAOYSA-N 0 0 375.432 3.888 20 10 GHCDRN O=C1c2ccccc2C(=O)c2c(Nc3cnn(Cc4cccnc4)c3)ccc(O)c21 ZINC001176458108 908119508 /nfs/dbraw/zinc/11/95/08/908119508.db2.gz KOUKGXMCEZFXFA-UHFFFAOYSA-N 0 0 396.406 3.551 20 10 GHCDRN CCN(C)C(=O)c1cccc(Nc2c(N)ccc3c2C(=O)c2ccccc2C3=O)c1 ZINC001176469324 908123981 /nfs/dbraw/zinc/12/39/81/908123981.db2.gz DUZGGLMMYKEARW-UHFFFAOYSA-N 0 0 399.450 3.880 20 10 GHCDRN CN(C)C(=O)[C@@H]1CCCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC001176504855 908144129 /nfs/dbraw/zinc/14/41/29/908144129.db2.gz IGQCTFUSJDBKFL-QGZVFWFLSA-N 0 0 393.491 3.841 20 10 GHCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3cc(C)c(C)cc3Cl)c2)CC1 ZINC000189331229 908309193 /nfs/dbraw/zinc/30/91/93/908309193.db2.gz CGAVBFXTWJMHFL-UHFFFAOYSA-N 0 0 385.895 3.878 20 10 GHCDRN Cc1ccnc(OC2CCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)c1 ZINC000773616155 908419279 /nfs/dbraw/zinc/41/92/79/908419279.db2.gz DICKJTXJMCSVMM-KRWDZBQOSA-N 0 0 382.508 3.770 20 10 GHCDRN Cc1cccc(C)c1NC(=O)CN(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773616077 908419317 /nfs/dbraw/zinc/41/93/17/908419317.db2.gz CXWYALYHUJWWJC-KRWDZBQOSA-N 0 0 382.508 3.711 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000190074364 908420300 /nfs/dbraw/zinc/42/03/00/908420300.db2.gz IHXBRTOHCSAPAX-UNMCSNQZSA-N 0 0 379.504 3.864 20 10 GHCDRN C[C@H](NC(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccc(N(C)C)cc1 ZINC000773627150 908473381 /nfs/dbraw/zinc/47/33/81/908473381.db2.gz WGKNMLASKFPZDC-IRXDYDNUSA-N 0 0 392.507 3.797 20 10 GHCDRN CC(=O)N1CCN(c2ccc(CNC(=O)CC[C@H](C)c3ccccc3)cc2)CC1 ZINC000190585316 908503531 /nfs/dbraw/zinc/50/35/31/908503531.db2.gz YZOHYCOSMHBVEA-IBGZPJMESA-N 0 0 393.531 3.555 20 10 GHCDRN CCO[C@@H](CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000193586070 908540437 /nfs/dbraw/zinc/54/04/37/908540437.db2.gz AGBRTXRYZXBTAU-QFIPXVFZSA-N 0 0 397.519 3.741 20 10 GHCDRN C[C@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(F)c(F)c1[O-] ZINC000191219075 908596272 /nfs/dbraw/zinc/59/62/72/908596272.db2.gz YBLXLQQWKPJLFT-SJCJKPOMSA-N 0 0 376.403 3.639 20 10 GHCDRN C=C1c2ccccc2C(=O)N1CCC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000193747637 908674194 /nfs/dbraw/zinc/67/41/94/908674194.db2.gz YHJZRNCYNFTYJI-UHFFFAOYSA-N 0 0 377.488 3.666 20 10 GHCDRN CN(C)c1cc(F)c(C[NH2+][C@](C)(CNC(=O)OC(C)(C)C)C2CC2)cc1F ZINC001177864626 908782214 /nfs/dbraw/zinc/78/22/14/908782214.db2.gz NIUUZXBVGLLFNW-HXUWFJFHSA-N 0 0 383.483 3.814 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(C)c2ncccc12 ZINC000194014833 908838046 /nfs/dbraw/zinc/83/80/46/908838046.db2.gz MKMACZWGMKOVEV-UHFFFAOYSA-N 0 0 390.487 3.596 20 10 GHCDRN CCC[C@H](CC)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC000194883275 908935594 /nfs/dbraw/zinc/93/55/94/908935594.db2.gz GRIITCOEJXLSAM-LBPRGKRZSA-N 0 0 380.400 3.679 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)C(C)C)cc1 ZINC000195124134 908969516 /nfs/dbraw/zinc/96/95/16/908969516.db2.gz ZEKPLCMEOWPTKI-UHFFFAOYSA-N 0 0 375.490 3.627 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2ccn(-c3cc(C)ccc3OC)n2)cc1 ZINC000195697488 909032939 /nfs/dbraw/zinc/03/29/39/909032939.db2.gz RTOJNAOXUXYSQE-UHFFFAOYSA-N 0 0 392.503 3.966 20 10 GHCDRN O=C(Cn1c2ccccc2nc1-c1ccccc1)NCc1c(O)cccc1F ZINC001178412808 909048698 /nfs/dbraw/zinc/04/86/98/909048698.db2.gz GFMKBCMYGPTCBO-UHFFFAOYSA-N 0 0 375.403 3.864 20 10 GHCDRN COC(=O)/C=C/c1ccc(N2CC[C@H](COc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000779927878 909076661 /nfs/dbraw/zinc/07/66/61/909076661.db2.gz CDFUJVKPZIJUCS-VMSUTVGLSA-N 0 0 382.416 3.686 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccc([C@H]4CCCOC4)cc3)CC2)cc1F ZINC000779928364 909076905 /nfs/dbraw/zinc/07/69/05/909076905.db2.gz BPMKNRUAFXTQRW-IBGZPJMESA-N 0 0 398.478 3.691 20 10 GHCDRN C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)CC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000779985326 909216014 /nfs/dbraw/zinc/21/60/14/909216014.db2.gz SBYYIPFPAPBAGT-ZOBUZTSGSA-N 0 0 399.457 3.957 20 10 GHCDRN O=C(NCCc1cc(F)c(F)c(F)c1)NCc1ccc(N2CC=CC2)cc1 ZINC000780025846 909298090 /nfs/dbraw/zinc/29/80/90/909298090.db2.gz XQAGKWLTQVIROB-UHFFFAOYSA-N 0 0 375.394 3.522 20 10 GHCDRN O=C(NCc1c(O)cccc1O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC001178904887 909306616 /nfs/dbraw/zinc/30/66/16/909306616.db2.gz BTXBOFPNRHGRDJ-FQEVSTJZSA-N 0 0 387.439 3.722 20 10 GHCDRN Cc1ccc2[nH]c(C(=O)NCc3c(O)cccc3O)cc2c1Br ZINC001178917822 909315115 /nfs/dbraw/zinc/31/51/15/909315115.db2.gz TYPASPONGSPWFH-UHFFFAOYSA-N 0 0 375.222 3.580 20 10 GHCDRN CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2c(O)ccc3ccccc32)C1 ZINC001179033321 909367456 /nfs/dbraw/zinc/36/74/56/909367456.db2.gz VLSDFBKQLOOIHF-WZONZLPQSA-N 0 0 396.487 3.809 20 10 GHCDRN Cc1nsc(NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)n1 ZINC000795226475 909372838 /nfs/dbraw/zinc/37/28/38/909372838.db2.gz HFTSNXLISTXRLD-HNNXBMFYSA-N 0 0 377.514 3.590 20 10 GHCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC001179158974 909405528 /nfs/dbraw/zinc/40/55/28/909405528.db2.gz FIPCSEPRTIDYBP-INIZCTEOSA-N 0 0 385.266 3.833 20 10 GHCDRN O=C(c1ccccc1F)c1cc(Cl)ccc1NC[C@@H]1CCCS(=O)(=O)C1 ZINC000795266574 909618662 /nfs/dbraw/zinc/61/86/62/909618662.db2.gz UJGJRYGMXHCDRP-ZDUSSCGKSA-N 0 0 395.883 3.947 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]CCc1cccc2c1OCCO2 ZINC001179658079 909622161 /nfs/dbraw/zinc/62/21/61/909622161.db2.gz AVHKQWQDYPUVPT-UHFFFAOYSA-N 0 0 398.684 3.912 20 10 GHCDRN C[C@H]1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C[C@@H]1C ZINC000267762673 909626764 /nfs/dbraw/zinc/62/67/64/909626764.db2.gz YXWHFMVISNQAAU-IFOMGDBJSA-N 0 0 394.587 3.844 20 10 GHCDRN CN(C)[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(Cl)cc1Cl ZINC001179689322 909647946 /nfs/dbraw/zinc/64/79/46/909647946.db2.gz KWJNFIWTXJAHLH-YCOJEUHLSA-N 0 0 395.286 3.837 20 10 GHCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCC(c4cccc(Cl)c4)CC3)cc2N1 ZINC000795275159 909654297 /nfs/dbraw/zinc/65/42/97/909654297.db2.gz YVQCMOUNGZXNCH-UHFFFAOYSA-N 0 0 387.823 3.963 20 10 GHCDRN COc1ccc(CNc2nc3ccccc3nc2N2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000795284245 909697667 /nfs/dbraw/zinc/69/76/67/909697667.db2.gz JNRCACFHXSGRJZ-GASCZTMLSA-N 0 0 394.475 3.570 20 10 GHCDRN Cc1cc(C)c2c(N)c(C(=O)OCc3cc(Br)no3)sc2n1 ZINC000795297576 909766605 /nfs/dbraw/zinc/76/66/05/909766605.db2.gz MCUCZHRLNLWRHK-UHFFFAOYSA-N 0 0 382.239 3.603 20 10 GHCDRN C[C@@H](CC(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1)C(F)(F)F ZINC001180089129 909911722 /nfs/dbraw/zinc/91/17/22/909911722.db2.gz XHRRBQGEMTXJPO-NSHDSACASA-N 0 0 384.320 3.822 20 10 GHCDRN COC(=O)c1c(F)cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000801833196 921534408 /nfs/dbraw/zinc/53/44/08/921534408.db2.gz CGYDXMYCXNGDBT-LLVKDONJSA-N 0 0 377.391 3.700 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCc2ccncc2)cc1 ZINC000268573150 909933337 /nfs/dbraw/zinc/93/33/37/909933337.db2.gz ATZNAPIURFZKPV-UHFFFAOYSA-N 0 0 378.476 3.695 20 10 GHCDRN C[C@@H]1C[C@@H](CNC(=O)/C=C/c2ccc(N(C)C)cc2)CN1C(=O)OC(C)(C)C ZINC001180128521 909941930 /nfs/dbraw/zinc/94/19/30/909941930.db2.gz OHGWEFJJZHFJKF-CTOFXIGKSA-N 0 0 387.524 3.528 20 10 GHCDRN COC(=O)C[C@@H]1CC[C@H](NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1 ZINC001180122497 909970338 /nfs/dbraw/zinc/97/03/38/909970338.db2.gz ABKRNGIPQAFJEK-SJORKVTESA-N 0 0 384.476 3.564 20 10 GHCDRN C[C@@H](NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000773846555 910050759 /nfs/dbraw/zinc/05/07/59/910050759.db2.gz MQGQXRYPDTUGKK-LLVKDONJSA-N 0 0 380.275 3.875 20 10 GHCDRN Cc1cc(C)nc(N2CCN(Cc3ccc(N(C)C)cc3C(F)(F)F)CC2)n1 ZINC001180305167 910059616 /nfs/dbraw/zinc/05/96/16/910059616.db2.gz IONPGGLQJGOUAO-UHFFFAOYSA-N 0 0 393.457 3.500 20 10 GHCDRN Cc1cc(C(=O)NCc2cc(C(F)(F)F)n(C)n2)c(C)n1-c1ccc(F)cc1 ZINC001180277200 910069138 /nfs/dbraw/zinc/06/91/38/910069138.db2.gz RMQOIXRANKUDBA-UHFFFAOYSA-N 0 0 394.372 3.916 20 10 GHCDRN CC(C)(C(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1)C(F)(F)F ZINC001180449036 910173699 /nfs/dbraw/zinc/17/36/99/910173699.db2.gz DNIJXDXWPQLBPT-UHFFFAOYSA-N 0 0 384.320 3.822 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000269443112 910269178 /nfs/dbraw/zinc/26/91/78/910269178.db2.gz DZJHIBHPIVHOTL-GOSISDBHSA-N 0 0 389.565 3.531 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@H]2CCn2ccnn2)cc1 ZINC001180739659 910327391 /nfs/dbraw/zinc/32/73/91/910327391.db2.gz QHQSRZYEKPGCEJ-FQEVSTJZSA-N 0 0 377.492 3.771 20 10 GHCDRN Cc1cc(C)c(CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)c(O)c1 ZINC001181608602 910875665 /nfs/dbraw/zinc/87/56/65/910875665.db2.gz SMFDQJHZZNZJBJ-OAHLLOKOSA-N 0 0 398.450 3.518 20 10 GHCDRN Cc1cc(C)c(CNC(=O)C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)c(O)c1 ZINC001181626817 910888683 /nfs/dbraw/zinc/88/86/83/910888683.db2.gz JHKNLXGMXRWBFQ-NVXWUHKLSA-N 0 0 394.487 3.610 20 10 GHCDRN CN(CCN(C)c1ccc(NC(=O)[C@@H]2C[C@]2(F)Cl)cc1)c1ccc(N)cc1 ZINC001181668899 910912578 /nfs/dbraw/zinc/91/25/78/910912578.db2.gz RHSWUOFWNFCDDP-AZUAARDMSA-N 0 0 390.890 3.704 20 10 GHCDRN Nc1ccc(N(Cc2ccccc2)C(=O)[C@H]2CCC(=O)N2c2ccccc2)cc1 ZINC001181933279 911087091 /nfs/dbraw/zinc/08/70/91/911087091.db2.gz FCPQNIZPELODSX-JOCHJYFZSA-N 0 0 385.467 3.998 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H]1CCCCN1)c1cc(Br)cc(Br)c1[O-] ZINC000817950090 911187435 /nfs/dbraw/zinc/18/74/35/911187435.db2.gz RREYQOFUFFJMSW-KOLCDFICSA-N 0 0 392.135 3.710 20 10 GHCDRN C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000773988212 911236158 /nfs/dbraw/zinc/23/61/58/911236158.db2.gz JMJGXWTWRBBRCQ-CHWSQXEVSA-N 0 0 391.855 3.959 20 10 GHCDRN Cc1cc2nc(C)c(CCC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)c(C)n2n1 ZINC000773988123 911237684 /nfs/dbraw/zinc/23/76/84/911237684.db2.gz IYSNMXGLYFXCRI-HNNXBMFYSA-N 0 0 379.508 3.531 20 10 GHCDRN COc1ccc(C)cc1-n1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000773990579 911239431 /nfs/dbraw/zinc/23/94/31/911239431.db2.gz VTZBPJQOLMQDDF-INIZCTEOSA-N 0 0 378.476 3.746 20 10 GHCDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc(N(C)C)cc1 ZINC000773994791 911241945 /nfs/dbraw/zinc/24/19/45/911241945.db2.gz ONSIHJKBVIGDFS-LLVKDONJSA-N 0 0 392.253 3.914 20 10 GHCDRN CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](COC)C1 ZINC000801937283 921649740 /nfs/dbraw/zinc/64/97/40/921649740.db2.gz IXZVFZOQEITDFQ-SFHVURJKSA-N 0 0 379.508 3.845 20 10 GHCDRN CCC(C)(C)NC(=S)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000774157221 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C[C@H](c1ccccc1)N(C)C(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000774354772 911699104 /nfs/dbraw/zinc/69/91/04/911699104.db2.gz MCJOUGLDZPTTQW-LJQANCHMSA-N 0 0 393.531 3.855 20 10 GHCDRN C[C@H](c1ccc(F)c(F)c1)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000248124936 911723531 /nfs/dbraw/zinc/72/35/31/911723531.db2.gz OFOHUTZDMSIPHL-OAHLLOKOSA-N 0 0 375.463 3.682 20 10 GHCDRN C[C@@H](Nc1ccc2ccn(C)c(=O)c2c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000284366730 911840781 /nfs/dbraw/zinc/84/07/81/911840781.db2.gz NLLVZGDLAGQOKU-OAHLLOKOSA-N 0 0 381.451 3.687 20 10 GHCDRN Cc1cc(C(=O)NC[C@H](O)C2CCC2)c(C)n1-c1ccc(Br)cc1 ZINC001299388256 911919879 /nfs/dbraw/zinc/91/98/79/911919879.db2.gz RTOHXSVBIXWEFQ-SFHVURJKSA-N 0 0 391.309 3.747 20 10 GHCDRN COc1cc(CN2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c(O)cc1C ZINC000795663456 912134358 /nfs/dbraw/zinc/13/43/58/912134358.db2.gz CRMDKIKYMFTSRF-QGZVFWFLSA-N 0 0 387.480 3.713 20 10 GHCDRN Cc1nn(CCO)c(NCc2ccc3c(c2)CCN3Cc2ccccc2)c1C ZINC000796338460 914889731 /nfs/dbraw/zinc/88/97/31/914889731.db2.gz LMNGIJCCCWUCLP-UHFFFAOYSA-N 0 0 376.504 3.667 20 10 GHCDRN CC(C)c1nc(C2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)no1 ZINC000291625384 915286494 /nfs/dbraw/zinc/28/64/94/915286494.db2.gz KXJHMLCIWCQABB-UHFFFAOYSA-N 0 0 397.523 3.882 20 10 GHCDRN COc1ccc(-c2noc(CN(Cc3ccccc3O)C[C@@H]3CCCO3)n2)cc1 ZINC000096971093 915311812 /nfs/dbraw/zinc/31/18/12/915311812.db2.gz DOBUGYOIWHWCLW-IBGZPJMESA-N 0 0 395.459 3.632 20 10 GHCDRN Cc1cc(-c2nnc(N(C)Cc3ccccc3O)n2C[C@@H]2CCOC2)c(C)o1 ZINC000291694112 915321126 /nfs/dbraw/zinc/32/11/26/915321126.db2.gz BSECPLGKJQLBAL-INIZCTEOSA-N 0 0 382.464 3.533 20 10 GHCDRN O=S(=O)(NCc1ccco1)c1cccc(NCc2c(O)cccc2Cl)c1 ZINC000796381521 915334339 /nfs/dbraw/zinc/33/43/39/915334339.db2.gz AXKUSQGMMHBZIF-UHFFFAOYSA-N 0 0 392.864 3.729 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000775152526 915599036 /nfs/dbraw/zinc/59/90/36/915599036.db2.gz QPCWRXITNXBFJN-KRWDZBQOSA-N 0 0 391.512 3.617 20 10 GHCDRN CN(c1ccc(CNC(=O)N2CC[C@H](OC(F)F)C2)cc1)C1CCCCC1 ZINC000802050623 921786760 /nfs/dbraw/zinc/78/67/60/921786760.db2.gz BDLKSEVWASEXGU-SFHVURJKSA-N 0 0 381.467 3.979 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000097550248 915689707 /nfs/dbraw/zinc/68/97/07/915689707.db2.gz ZNZYGTSTZWHTQE-SECBINFHSA-N 0 0 383.231 3.524 20 10 GHCDRN O=C(CSc1ccncc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000360186323 915985648 /nfs/dbraw/zinc/98/56/48/915985648.db2.gz DZIGMJNTEGUCQO-UHFFFAOYSA-N 0 0 393.459 3.560 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccccc3OC(F)(F)F)CC2)cc1F ZINC000775181903 916068329 /nfs/dbraw/zinc/06/83/29/916068329.db2.gz OVJWWNQVVGLSPY-UHFFFAOYSA-N 0 0 398.356 3.695 20 10 GHCDRN C[C@@H]1CN(C(=O)c2ccc(NCc3ccc(N(C)C)c(F)c3)cc2)C[C@H](C)O1 ZINC000775185124 916098334 /nfs/dbraw/zinc/09/83/34/916098334.db2.gz VDGRWWYOBBFGNH-IYBDPMFKSA-N 0 0 385.483 3.753 20 10 GHCDRN COc1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1[N+](=O)[O-] ZINC000098076239 916169173 /nfs/dbraw/zinc/16/91/73/916169173.db2.gz ALRGDWRADMWOGK-UHFFFAOYSA-N 0 0 382.372 3.745 20 10 GHCDRN CC(C)C[C@@H](NC(=O)C(=O)NCCCSc1nccs1)c1ccccc1 ZINC000775196947 916185652 /nfs/dbraw/zinc/18/56/52/916185652.db2.gz LCRRDECIQPUOLI-MRXNPFEDSA-N 0 0 391.562 3.645 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(F)cc1Cl ZINC000098093679 916190226 /nfs/dbraw/zinc/19/02/26/916190226.db2.gz CQFSNEWLZHPZTP-UHFFFAOYSA-N 0 0 376.859 3.618 20 10 GHCDRN CC(C)c1cccc(OCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000098093895 916191446 /nfs/dbraw/zinc/19/14/46/916191446.db2.gz VENLUEVJBQVDCT-UHFFFAOYSA-N 0 0 396.531 3.714 20 10 GHCDRN CCOc1ccccc1CCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000098093939 916191471 /nfs/dbraw/zinc/19/14/71/916191471.db2.gz BMIQTQWKESPKCU-UHFFFAOYSA-N 0 0 396.531 3.543 20 10 GHCDRN CCN(Cc1ccccc1O)S(=O)(=O)c1ccc(Oc2cccnc2)cc1 ZINC001188886615 916277298 /nfs/dbraw/zinc/27/72/98/916277298.db2.gz YNGTUBDRDUSXGP-UHFFFAOYSA-N 0 0 384.457 3.790 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)Nc2nnc(C(F)F)s2)CCCC1 ZINC000649648394 916295064 /nfs/dbraw/zinc/29/50/64/916295064.db2.gz UTBGKAPZQZNWLR-UHFFFAOYSA-N 0 0 392.431 3.957 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(OC(F)F)cn1 ZINC000775218405 916396650 /nfs/dbraw/zinc/39/66/50/916396650.db2.gz CFRIKEUJYRIUNZ-UHFFFAOYSA-N 0 0 392.450 3.869 20 10 GHCDRN C[C@@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1)c1ccccc1O ZINC001189180452 916442806 /nfs/dbraw/zinc/44/28/06/916442806.db2.gz HHFSBMACPSFDEK-SECBINFHSA-N 0 0 390.686 3.848 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](C)c2nnc(C)s2)CCCC1 ZINC000649924020 916529994 /nfs/dbraw/zinc/52/99/94/916529994.db2.gz UYMPCKKBTQTVKP-GFCCVEGCSA-N 0 0 384.505 3.566 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1cc(-c2ccncc2)n[nH]1 ZINC001189334593 916562030 /nfs/dbraw/zinc/56/20/30/916562030.db2.gz FDLRMNCQKKNIKA-HXUWFJFHSA-N 0 0 376.460 3.848 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1cc(-c2ccccn2)n[nH]1 ZINC001189479722 916638342 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GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)c1[nH]ncc1-c1ccccn1 ZINC001191501010 918056066 /nfs/dbraw/zinc/05/60/66/918056066.db2.gz GFHGTMBNHSFEQK-FQEVSTJZSA-N 0 0 376.460 3.848 20 10 GHCDRN CCOc1ccc(C)cc1S(=O)(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001191835695 918256541 /nfs/dbraw/zinc/25/65/41/918256541.db2.gz GMPYMNLEXKYWRJ-UHFFFAOYSA-N 0 0 388.533 3.863 20 10 GHCDRN Cc1cccc(C(=O)NCc2ccc(N(C)C)cc2)c1NC(=O)c1ccncc1 ZINC000115839686 919474783 /nfs/dbraw/zinc/47/47/83/919474783.db2.gz ZCIUXTXFYLFPSA-UHFFFAOYSA-N 0 0 388.471 3.638 20 10 GHCDRN COC(=O)c1ccoc1C(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000800267570 919812963 /nfs/dbraw/zinc/81/29/63/919812963.db2.gz KFNNLKKSIYYXNR-UHFFFAOYSA-N 0 0 381.384 3.513 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CC(=O)NCC2(C)C)cc1 ZINC000800320879 919900485 /nfs/dbraw/zinc/90/04/85/919900485.db2.gz LMIRLZMYLMSOCK-UHFFFAOYSA-N 0 0 379.464 3.519 20 10 GHCDRN Cc1ccc(O)c(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccncc2)c1 ZINC000800540846 920259037 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/nfs/dbraw/zinc/29/38/87/1021293887.db2.gz CGAGVMFLIVWOBD-RYUDHWBXSA-N 0 0 395.837 3.557 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NCCC3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000801782059 1021442059 /nfs/dbraw/zinc/44/20/59/1021442059.db2.gz OSGMVTVLXYRCDD-ROUUACIJSA-N 0 0 389.540 3.511 20 10 GHCDRN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000802655582 1021516260 /nfs/dbraw/zinc/51/62/60/1021516260.db2.gz AYPFXZZHELKIOZ-LJQANCHMSA-N 0 0 376.294 3.681 20 10 GHCDRN C[C@H]([NH2+][C@@H]1C[C@H]2CCCCN2C1=O)c1cc(Br)cc(Cl)c1[O-] ZINC000834913705 1021676386 /nfs/dbraw/zinc/67/63/86/1021676386.db2.gz IWMDULVLFCQJDE-DRCTWCGVSA-N 0 0 387.705 3.612 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCO[C@H](c2nccn2C)C1)c1cc(Br)cc(F)c1[O-] ZINC000834915444 1021678416 /nfs/dbraw/zinc/67/84/16/1021678416.db2.gz YRFKBQHCSUYORW-WBIUFABUSA-N 0 0 398.276 3.598 20 10 GHCDRN Oc1cc(Cl)ccc1CN1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@@H]21 ZINC001140464784 1021758010 /nfs/dbraw/zinc/75/80/10/1021758010.db2.gz BIOMYQCURBFUOF-SLYNCCJLSA-N 0 0 388.895 3.637 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2O)CC1(F)F ZINC001140465893 1021761051 /nfs/dbraw/zinc/76/10/51/1021761051.db2.gz UGYDBMMYXPBZSD-CQSZACIVSA-N 0 0 376.831 3.780 20 10 GHCDRN COc1ccc(CN(C)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cn1 ZINC000749165008 1021762083 /nfs/dbraw/zinc/76/20/83/1021762083.db2.gz FEWXRVVHPKBQQS-UHFFFAOYSA-N 0 0 392.503 3.882 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(c2ccc(CN3CCn4cccc4C3)cc2)CC1 ZINC001140481601 1021784107 /nfs/dbraw/zinc/78/41/07/1021784107.db2.gz WXABHGFLDXZRTE-UHFFFAOYSA-N 0 0 396.535 3.561 20 10 GHCDRN Cc1c(NC/C=C\c2ccc(N(C)C)cc2)cccc1N1C(=O)N[C@@H](C)C1=O ZINC000835052365 1021818664 /nfs/dbraw/zinc/81/86/64/1021818664.db2.gz FPGSDBZUGUPNSS-WLMCBFPDSA-N 0 0 378.476 3.631 20 10 GHCDRN COCCOc1ccc(N2CCN(Cc3cc(F)cc(Cl)c3)CC2)cc1 ZINC001140542177 1021942569 /nfs/dbraw/zinc/94/25/69/1021942569.db2.gz GGGLHXRPWSVFTM-UHFFFAOYSA-N 0 0 378.875 3.827 20 10 GHCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001140581616 1022001973 /nfs/dbraw/zinc/00/19/73/1022001973.db2.gz VMSWWHDEOOSMRE-UZCIPKQKSA-N 0 0 378.444 3.966 20 10 GHCDRN COC(=O)c1cccc(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC001204685553 1033029830 /nfs/dbraw/zinc/02/98/30/1033029830.db2.gz CUHZYWSSMHQWQW-UHFFFAOYSA-N 0 0 394.393 3.694 20 10 GHCDRN COc1ccc(N2CCC(Nc3nc(Cl)nc4c3COC4(C)C)CC2)cc1 ZINC000827538801 1022276964 /nfs/dbraw/zinc/27/69/64/1022276964.db2.gz YRFJDMCQFBLWIT-UHFFFAOYSA-N 0 0 388.899 3.985 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cc2ccccc2OCc2ccncc2)c1 ZINC001137473421 1022333988 /nfs/dbraw/zinc/33/39/88/1022333988.db2.gz IXHHFBZFXDGHNW-MRXNPFEDSA-N 0 0 392.455 3.795 20 10 GHCDRN COc1ccc(CN(C)C(=O)CN(c2ccc(OC)c(F)c2)C(C)C)cc1F ZINC000725815879 1022385306 /nfs/dbraw/zinc/38/53/06/1022385306.db2.gz CKVUBYKCTRWBTI-UHFFFAOYSA-N 0 0 392.446 3.855 20 10 GHCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CC2)c1[O-] ZINC000754401286 1022676652 /nfs/dbraw/zinc/67/66/52/1022676652.db2.gz KBIWHOIAELZXDX-MRXNPFEDSA-N 0 0 382.888 3.641 20 10 GHCDRN CCN(CC)c1ccc(CN2CCn3c(COCC4CC4)cnc3[C@H]2C)c(O)c1 ZINC001140852212 1022700767 /nfs/dbraw/zinc/70/07/67/1022700767.db2.gz GKVKRNVXSJIKPF-QGZVFWFLSA-N 0 0 398.551 3.938 20 10 GHCDRN CCN(CC)c1ccc(CN2Cc3nn(CC4CC4)cc3[C@@H](COC)C2)c(O)c1 ZINC001140853437 1022705074 /nfs/dbraw/zinc/70/50/74/1022705074.db2.gz XTMWHFALCWUCJD-LJQANCHMSA-N 0 0 398.551 3.591 20 10 GHCDRN CCN(CC)c1ccc(CN2CCNC(=O)[C@H]2c2ccc(Cl)cc2)c(O)c1 ZINC001140856978 1022713989 /nfs/dbraw/zinc/71/39/89/1022713989.db2.gz KCUGYRJIQPKKLX-HXUWFJFHSA-N 0 0 387.911 3.565 20 10 GHCDRN FC(F)(F)c1cc(N2CCOCC2)ccc1CNc1ccnc2ccncc21 ZINC000754471721 1022724809 /nfs/dbraw/zinc/72/48/09/1022724809.db2.gz JSEFAJBFSWASIL-UHFFFAOYSA-N 0 0 388.393 3.519 20 10 GHCDRN CCN1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@@H]1C ZINC000754509803 1022746306 /nfs/dbraw/zinc/74/63/06/1022746306.db2.gz DKXQBKCBXUFACF-INIZCTEOSA-N 0 0 379.464 3.593 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)NC[C@H]3CCCC3(F)F)cc2F)C[C@@H](C)O1 ZINC000836242956 1022761228 /nfs/dbraw/zinc/76/12/28/1022761228.db2.gz ZBLMJOKCBZPOOO-IIAWOOMASA-N 0 0 399.457 3.674 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N3CCC(c4ccccn4)CC3)CC2)cc1 ZINC000754643630 1022809578 /nfs/dbraw/zinc/80/95/78/1022809578.db2.gz VLNPIIMUJLOCBI-UHFFFAOYSA-N 0 0 394.519 3.648 20 10 GHCDRN CN1CCCc2cc(CNC(=O)[C@](C)(O)c3cccc(C(F)(F)F)c3)ccc21 ZINC000754846122 1022930487 /nfs/dbraw/zinc/93/04/87/1022930487.db2.gz GCOUAILRWPZWOK-HXUWFJFHSA-N 0 0 392.421 3.612 20 10 GHCDRN CCc1nn(C)c(CC)c1CNC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000754854875 1022935881 /nfs/dbraw/zinc/93/58/81/1022935881.db2.gz JOAIHYKSIYDWRT-UHFFFAOYSA-N 0 0 389.519 3.530 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)NC[C@H](CO)c3ccccc3)c2C)cc1 ZINC000754959929 1022986050 /nfs/dbraw/zinc/98/60/50/1022986050.db2.gz SQCHKFCCTKYCHL-LJQANCHMSA-N 0 0 378.472 3.609 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)NC[C@H]1CCCCC1(F)F ZINC000836525429 1023076404 /nfs/dbraw/zinc/07/64/04/1023076404.db2.gz ZLVDUFGEKMYKRV-LLVKDONJSA-N 0 0 377.229 3.779 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)CCc2nc(-c3ccncc3)no2)cc1 ZINC000836541610 1023093866 /nfs/dbraw/zinc/09/38/66/1023093866.db2.gz HPTNEDWVUJOHKJ-UHFFFAOYSA-N 0 0 393.491 3.569 20 10 GHCDRN CC[C@@H](C)[C@@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)OC ZINC000836547765 1023099937 /nfs/dbraw/zinc/09/99/37/1023099937.db2.gz QZRMGJSCCZEZGQ-RDTXWAMCSA-N 0 0 399.482 3.617 20 10 GHCDRN COCc1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc(C(=O)OC)c1 ZINC000836639573 1023200513 /nfs/dbraw/zinc/20/05/13/1023200513.db2.gz CAGMNUCLJSBEMH-AWEZNQCLSA-N 0 0 385.464 3.568 20 10 GHCDRN COCc1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc(C(=O)OC)c1 ZINC000836639576 1023200607 /nfs/dbraw/zinc/20/06/07/1023200607.db2.gz CAGMNUCLJSBEMH-CQSZACIVSA-N 0 0 385.464 3.568 20 10 GHCDRN CN1CCCc2cc(CNC(=O)N[C@@H]3CCO[C@@H](c4cccs4)C3)ccc21 ZINC000836637844 1023200617 /nfs/dbraw/zinc/20/06/17/1023200617.db2.gz LIQNAVMXHUPAML-IEBWSBKVSA-N 0 0 385.533 3.850 20 10 GHCDRN CCO[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000836666765 1023231605 /nfs/dbraw/zinc/23/16/05/1023231605.db2.gz TXOWFROGXUHPPK-ZTFGCOKTSA-N 0 0 397.466 3.514 20 10 GHCDRN CC(=O)N(c1ccc(NC(=O)NCCCSc2nccs2)cc1)C1CC1 ZINC000836699795 1023272740 /nfs/dbraw/zinc/27/27/40/1023272740.db2.gz QRQFAPIBYVQULA-UHFFFAOYSA-N 0 0 390.534 3.962 20 10 GHCDRN CC(=O)N(c1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1)[C@@H]1C[C@H]1C ZINC000836704795 1023278751 /nfs/dbraw/zinc/27/87/51/1023278751.db2.gz RIQQPKAXKMMREP-PJIJBLCYSA-N 0 0 397.475 3.612 20 10 GHCDRN CC(=O)N(c1ccc(NC(=O)NCc2ccc(N(C)C)cc2)cc1)[C@H]1C[C@H]1C ZINC000836705948 1023280547 /nfs/dbraw/zinc/28/05/47/1023280547.db2.gz XEWMWVDWCUITKQ-VFNWGFHPSA-N 0 0 380.492 3.836 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](c2nc(C)cs2)C(F)(F)F)c1 ZINC000836708419 1023283154 /nfs/dbraw/zinc/28/31/54/1023283154.db2.gz WNIDGMJGOWWIIU-RNCFNFMXSA-N 0 0 389.399 3.830 20 10 GHCDRN COc1cc(O)c(C[N@@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H]2C)c(OC)c1 ZINC001141032156 1023299218 /nfs/dbraw/zinc/29/92/18/1023299218.db2.gz UJWCOZOERXJUHU-LSDHHAIUSA-N 0 0 394.512 3.535 20 10 GHCDRN COc1cccc([C@@H]2CSCCN2Cc2c(O)cc(OC)cc2OC)c1 ZINC001141032710 1023300221 /nfs/dbraw/zinc/30/02/21/1023300221.db2.gz NFKVHGCQNYIXAF-SFHVURJKSA-N 0 0 375.490 3.708 20 10 GHCDRN CO[C@@H]1COCC[C@H]1CNC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000836814678 1023381571 /nfs/dbraw/zinc/38/15/71/1023381571.db2.gz JUYPGGRRBIWFGT-HRAATJIYSA-N 0 0 396.491 3.949 20 10 GHCDRN Cc1nc(-c2ccc(C)c(NC(=O)NCc3ccc4c(c3)CCCN4C)c2)n[nH]1 ZINC000755831875 1023395894 /nfs/dbraw/zinc/39/58/94/1023395894.db2.gz ZLOIKJKFGYWXPR-UHFFFAOYSA-N 0 0 390.491 3.793 20 10 GHCDRN O=C(Nc1nccn1Cc1ccc(Br)cc1)C1=CC(=O)CS1 ZINC000755870465 1023410559 /nfs/dbraw/zinc/41/05/59/1023410559.db2.gz FWTBFZDIIITUOY-UHFFFAOYSA-N 0 0 378.251 3.713 20 10 GHCDRN C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1cc(Br)cc(F)c1[O-] ZINC000756380134 1023619688 /nfs/dbraw/zinc/61/96/88/1023619688.db2.gz STEAOTQJVSVAKT-LLVKDONJSA-N 0 0 395.272 3.846 20 10 GHCDRN C[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000756379522 1023620726 /nfs/dbraw/zinc/62/07/26/1023620726.db2.gz OOJKQUSLHXJKSH-LIRRHRJNSA-N 0 0 378.875 3.909 20 10 GHCDRN Cc1ccc([C@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])N2CCOCC2)cc1 ZINC000756434169 1023646905 /nfs/dbraw/zinc/64/69/05/1023646905.db2.gz IYDJTVIVEHWNSR-QRWLVFNGSA-N 0 0 376.447 3.703 20 10 GHCDRN C[C@@H]([NH2+]C1CCN(C(=O)CCc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756475782 1023673997 /nfs/dbraw/zinc/67/39/97/1023673997.db2.gz KOVSAVWCTXTUPX-MRXNPFEDSA-N 0 0 397.475 3.575 20 10 GHCDRN CCc1c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cnn1CCC(C)C ZINC000756488046 1023681583 /nfs/dbraw/zinc/68/15/83/1023681583.db2.gz YYSRAOYBGQCHTH-SFHVURJKSA-N 0 0 398.551 3.819 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756528576 1023700001 /nfs/dbraw/zinc/70/00/01/1023700001.db2.gz URFXYQWIGJBYTG-KGLIPLIRSA-N 0 0 379.457 3.598 20 10 GHCDRN C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756528732 1023700105 /nfs/dbraw/zinc/70/01/05/1023700105.db2.gz WCYISOKPGBLQGL-VIFPVBQESA-N 0 0 399.226 3.971 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC000756592749 1023726707 /nfs/dbraw/zinc/72/67/07/1023726707.db2.gz VBIXYCFXBKLJSF-DYZYQPBXSA-N 0 0 384.259 3.870 20 10 GHCDRN CC(C)[C@H](CCO)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000756606892 1023735347 /nfs/dbraw/zinc/73/53/47/1023735347.db2.gz FHSSVFPEMXUIAN-ZANVPECISA-N 0 0 395.135 3.975 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(C)cc2OC[C@H]2CCOC2)c1 ZINC000756644511 1023752056 /nfs/dbraw/zinc/75/20/56/1023752056.db2.gz FGNUTHBSNURIPL-SJORKVTESA-N 0 0 399.487 3.753 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1cc(Br)c(F)cc1[O-] ZINC000756660326 1023760271 /nfs/dbraw/zinc/76/02/71/1023760271.db2.gz VUOJKWJAOZEXCB-AAEUAGOBSA-N 0 0 399.304 3.736 20 10 GHCDRN CN(CC(=O)Nc1ccc(N2CCCCCC2)cc1)c1ccc2c(c1)OCO2 ZINC000756662864 1023762494 /nfs/dbraw/zinc/76/24/94/1023762494.db2.gz YVTOAEOCFMUINX-UHFFFAOYSA-N 0 0 381.476 3.871 20 10 GHCDRN CC(C)[C@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1[O-])C(=O)N1CCCC1 ZINC000756707555 1023783441 /nfs/dbraw/zinc/78/34/41/1023783441.db2.gz ZGYNVMJYCFYLIB-ABAIWWIYSA-N 0 0 387.293 3.591 20 10 GHCDRN C[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1cc(Br)cc(F)c1[O-] ZINC000756739485 1023793913 /nfs/dbraw/zinc/79/39/13/1023793913.db2.gz NWZXEPSXNRSCIZ-CLAHSXSESA-N 0 0 390.199 3.956 20 10 GHCDRN C[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1cc(Br)c(F)cc1[O-] ZINC000756740535 1023794459 /nfs/dbraw/zinc/79/44/59/1023794459.db2.gz ROVSALHJUDVAQK-GLEZIHRCSA-N 0 0 390.199 3.956 20 10 GHCDRN C[C@H]([NH2+][C@H](CO)CC1CC1)c1cc(Br)cc(Br)c1[O-] ZINC000756770701 1023807036 /nfs/dbraw/zinc/80/70/36/1023807036.db2.gz ZKMICIGAJAHJTK-KWQFWETISA-N 0 0 393.119 3.729 20 10 GHCDRN CC[NH+]1CCN(Cc2ccc(N[C@H](C)c3cc([N+](=O)[O-])ccc3[O-])cc2)CC1 ZINC000756806249 1023822326 /nfs/dbraw/zinc/82/23/26/1023822326.db2.gz YQDYLHZFRBVVHF-MRXNPFEDSA-N 0 0 384.480 3.611 20 10 GHCDRN C[C@@H](Nc1cccc(N2CCNC2=O)c1)c1ccc(Br)cc1O ZINC000756818794 1023826481 /nfs/dbraw/zinc/82/64/81/1023826481.db2.gz HXWHRBDTZZPLPY-LLVKDONJSA-N 0 0 376.254 3.857 20 10 GHCDRN C[C@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccc(Br)cc1O ZINC000756832800 1023828213 /nfs/dbraw/zinc/82/82/13/1023828213.db2.gz SZXZUAYPFPETTE-JTQLQIEISA-N 0 0 376.254 3.518 20 10 GHCDRN C[C@H](Nc1ccc2c(c1)N(C)C(=O)CO2)c1cc(Br)c(F)cc1O ZINC000756840291 1023830962 /nfs/dbraw/zinc/83/09/62/1023830962.db2.gz KYUFHNBGQCLBMV-VIFPVBQESA-N 0 0 395.228 3.822 20 10 GHCDRN C[C@H](Nc1cccc2c1oc(=O)n2C)c1cc(Br)cc(F)c1O ZINC000756854993 1023836244 /nfs/dbraw/zinc/83/62/44/1023836244.db2.gz IPRBGIJFQLRUGD-QMMMGPOBSA-N 0 0 381.201 3.912 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756865291 1023839315 /nfs/dbraw/zinc/83/93/15/1023839315.db2.gz PTZAVSFYMJKZJE-ABKXIKBNSA-N 0 0 384.785 3.919 20 10 GHCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2cccc(C(=O)N3CCCCC3)c2)c1 ZINC000756895195 1023849990 /nfs/dbraw/zinc/84/99/90/1023849990.db2.gz SPBXRWXPXWLQJY-OAHLLOKOSA-N 0 0 382.460 3.978 20 10 GHCDRN Cc1ccc(OC(F)F)c(CNC(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000756954065 1023884294 /nfs/dbraw/zinc/88/42/94/1023884294.db2.gz QZJMWEPAYCGVGX-UHFFFAOYSA-N 0 0 377.435 3.970 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000756967261 1023890435 /nfs/dbraw/zinc/89/04/35/1023890435.db2.gz LOGWRTRKZUWPMN-SNVBAGLBSA-N 0 0 379.800 3.523 20 10 GHCDRN [O-]c1c(F)cccc1C[N@@H+]1CCO[C@]2(CCC[C@H]2COCc2ccccn2)C1 ZINC001138125688 1024169572 /nfs/dbraw/zinc/16/95/72/1024169572.db2.gz VJVYLBIYRAIKDD-PGRDOPGGSA-N 0 0 386.467 3.514 20 10 GHCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 ZINC001138125263 1024169894 /nfs/dbraw/zinc/16/98/94/1024169894.db2.gz MPDUAWFWBPAMFD-IBGZPJMESA-N 0 0 377.410 3.664 20 10 GHCDRN CNC(=O)N[C@H]1CC2(CC[NH+](Cc3cccc(F)c3[O-])CC2)c2cc(C)ccc21 ZINC001138126605 1024171553 /nfs/dbraw/zinc/17/15/53/1024171553.db2.gz FGOWNTJGUUKJNA-FQEVSTJZSA-N 0 0 397.494 3.747 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2CCO[C@H](c3nccn3C)C2)c(C)n1-c1cccc(C)c1 ZINC000837175723 1024188508 /nfs/dbraw/zinc/18/85/08/1024188508.db2.gz CUENWPDNLWUMCB-NQIIRXRSSA-N 0 0 392.503 3.786 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)c1cc(C(F)(F)F)ccn1 ZINC001138152769 1024249180 /nfs/dbraw/zinc/24/91/80/1024249180.db2.gz PQUCTWWTJDKMSL-NSHDSACASA-N 0 0 382.382 3.537 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1-n1ccc(C2CC2)n1 ZINC001138152599 1024249421 /nfs/dbraw/zinc/24/94/21/1024249421.db2.gz LEJZWIOXKKDJBJ-CQSZACIVSA-N 0 0 377.444 3.522 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NC[C@]2(C)CCC(=O)N2)cc1 ZINC000837222260 1024249737 /nfs/dbraw/zinc/24/97/37/1024249737.db2.gz DXLIMYHBSMKVSI-NRFANRHFSA-N 0 0 379.464 3.567 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1[nH]ccc1C1CC1 ZINC000837349659 1024368710 /nfs/dbraw/zinc/36/87/10/1024368710.db2.gz RBIGHRVVQMSVBT-UHFFFAOYSA-N 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ZINC000837714198 1024658260 /nfs/dbraw/zinc/65/82/60/1024658260.db2.gz NEAHXVVMMFFQCW-UHFFFAOYSA-N 0 0 399.510 3.745 20 10 GHCDRN CN1CCCc2cc(CN3CC[C@@H](NC(=O)OC(C)(C)C)[C@H](F)C3)ccc21 ZINC001138354674 1024717097 /nfs/dbraw/zinc/71/70/97/1024717097.db2.gz PPCCKORWNUNAQG-QZTJIDSGSA-N 0 0 377.504 3.506 20 10 GHCDRN CN1CCCc2cc(CN3CCN(C(=O)c4ccc(Cl)cc4)CC3)ccc21 ZINC001138357043 1024721926 /nfs/dbraw/zinc/72/19/26/1024721926.db2.gz ZWUYVQVXCXLVIE-UHFFFAOYSA-N 0 0 383.923 3.680 20 10 GHCDRN CCOC(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141367602 1024739957 /nfs/dbraw/zinc/73/99/57/1024739957.db2.gz HRDYSCKRVZORMX-LLVKDONJSA-N 0 0 390.705 3.973 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1C[NH+]1CCC2(C[C@H](F)CO2)CC1 ZINC001141374225 1024767750 /nfs/dbraw/zinc/76/77/50/1024767750.db2.gz CBKACUSQSRVBPL-LBPRGKRZSA-N 0 0 378.669 3.901 20 10 GHCDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cnc2n1CCOC2 ZINC000831707123 1024768082 /nfs/dbraw/zinc/76/80/82/1024768082.db2.gz XBOZRVMDOKAYPW-INIZCTEOSA-N 0 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CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000838679832 1025287022 /nfs/dbraw/zinc/28/70/22/1025287022.db2.gz DCUUQSXCMPGMNA-IFMALSPDSA-N 0 0 396.535 3.988 20 10 GHCDRN Cc1ccc(NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c(F)c1 ZINC000838746924 1025342330 /nfs/dbraw/zinc/34/23/30/1025342330.db2.gz MATVSLZEQIIVMX-UHFFFAOYSA-N 0 0 379.382 3.571 20 10 GHCDRN CCC(CC)N(C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)C1CC1 ZINC000838747830 1025343663 /nfs/dbraw/zinc/34/36/63/1025343663.db2.gz YRWWQXHNYDWBOP-UHFFFAOYSA-N 0 0 381.467 3.664 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001162113018 1025611696 /nfs/dbraw/zinc/61/16/96/1025611696.db2.gz CGPFOZVAVZZKGV-AVRDEDQJSA-N 0 0 393.531 3.551 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Cn1cc(C=O)c2ccccc21 ZINC001162113784 1025612123 /nfs/dbraw/zinc/61/21/23/1025612123.db2.gz IWAYFINMPHZGCD-KRWDZBQOSA-N 0 0 377.488 3.576 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CC(C)(C)NC(=O)OC(C)(C)C ZINC001162114632 1025613155 /nfs/dbraw/zinc/61/31/55/1025613155.db2.gz OYULADLVLAPFSI-MRXNPFEDSA-N 0 0 391.556 3.802 20 10 GHCDRN Fc1cc2c(c(F)c1F)[C@@H](NCc1cc(F)c(N3CCOCC3)c(F)c1)CC2 ZINC000839144078 1025639112 /nfs/dbraw/zinc/63/91/12/1025639112.db2.gz FXSBBKRIFYJWQC-INIZCTEOSA-N 0 0 398.375 3.996 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1cc2oc(=O)n(C)c2cc1F ZINC000839164782 1025673024 /nfs/dbraw/zinc/67/30/24/1025673024.db2.gz FHUMLUMBUFSYLS-UHFFFAOYSA-N 0 0 387.411 3.810 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N(C)C1CCCCCC1 ZINC000839223851 1025740164 /nfs/dbraw/zinc/74/01/64/1025740164.db2.gz FKLJQWKTBIDTRR-UHFFFAOYSA-N 0 0 385.552 3.817 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001162540425 1025785968 /nfs/dbraw/zinc/78/59/68/1025785968.db2.gz YVHLTAIININKAR-RTWAWAEBSA-N 0 0 381.472 3.724 20 10 GHCDRN CC(C)[C@@H](c1ccccc1)N(C)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000839300398 1025787201 /nfs/dbraw/zinc/78/72/01/1025787201.db2.gz UYMDXIGOOLEDLM-NRFANRHFSA-N 0 0 381.520 3.567 20 10 GHCDRN COc1ccc(CNC(=O)[C@H]2C[C@@]2(C)c2cccc(Br)c2)c(O)c1 ZINC001139031924 1025800142 /nfs/dbraw/zinc/80/01/42/1025800142.db2.gz GNERCSGCSWKOGW-APWZRJJASA-N 0 0 390.277 3.757 20 10 GHCDRN C[C@H]1CCC(C)(C)N1C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC000839434773 1025924867 /nfs/dbraw/zinc/92/48/67/1025924867.db2.gz DVKRNZPKUBGCDW-LBPRGKRZSA-N 0 0 392.411 3.773 20 10 GHCDRN CCOC(=O)[C@H]1C[N@H+](Cc2c([O-])ccc3c(C)cc(=O)oc32)C[C@H]2CCCC[C@@H]12 ZINC001139124712 1025937714 /nfs/dbraw/zinc/93/77/14/1025937714.db2.gz DIASMSCMKDDLJM-NXHRZFHOSA-N 0 0 399.487 3.608 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCN1Cc1ccc(OC)cc1 ZINC001139123809 1025937828 /nfs/dbraw/zinc/93/78/28/1025937828.db2.gz KKQQZSQQBCAZQO-OAQYLSRUSA-N 0 0 382.504 3.804 20 10 GHCDRN Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2c([O-])ccc3c(C)cc(=O)oc32)o1 ZINC001139125403 1025937955 /nfs/dbraw/zinc/93/79/55/1025937955.db2.gz UANFVLBVIZUAQY-VQTJNVASSA-N 0 0 394.471 3.557 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1C[C@H]2[C@@H](CCN2Cc2ccccc2)C1 ZINC001139129305 1025941640 /nfs/dbraw/zinc/94/16/40/1025941640.db2.gz VGGUPJIUNCXWRX-RXVVDRJESA-N 0 0 390.483 3.513 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC000839471176 1025962035 /nfs/dbraw/zinc/96/20/35/1025962035.db2.gz COJMIDHWQRGECD-NRFANRHFSA-N 0 0 394.515 3.827 20 10 GHCDRN CN(C)c1ccc(CNC(=O)CN[C@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000839537810 1026029414 /nfs/dbraw/zinc/02/94/14/1026029414.db2.gz AHHOACQZPPRNIW-GOSISDBHSA-N 0 0 397.416 3.791 20 10 GHCDRN CCOc1ccc(C[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000839580233 1026076276 /nfs/dbraw/zinc/07/62/76/1026076276.db2.gz RCZQNIGKIRIVEL-MOPGFXCFSA-N 0 0 396.531 3.978 20 10 GHCDRN CCOc1ccc(C[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000839580238 1026077073 /nfs/dbraw/zinc/07/70/73/1026077073.db2.gz RCZQNIGKIRIVEL-OALUTQOASA-N 0 0 396.531 3.978 20 10 GHCDRN CC[C@@H](C)C[C@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)OC 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/nfs/dbraw/zinc/21/11/16/1026211116.db2.gz XOCIQPDYXCGSRI-QGZVFWFLSA-N 0 0 385.420 3.834 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2Nc1ccc(CN2C(=O)CCC2=O)cn1 ZINC001163488865 1026212213 /nfs/dbraw/zinc/21/22/13/1026212213.db2.gz YUKVWVHNLDKQAQ-JOCHJYFZSA-N 0 0 393.487 3.789 20 10 GHCDRN Cc1cc(C(=O)N2CC(OC(F)F)C2)c(C)n1-c1ccccc1Br ZINC001139384208 1026252358 /nfs/dbraw/zinc/25/23/58/1026252358.db2.gz IBEZPDFSUOWOMQ-UHFFFAOYSA-N 0 0 399.235 3.920 20 10 GHCDRN O=C(Cc1ccc(O)c(O)c1)NCc1ccc(COCc2ccccc2)cc1 ZINC001141688347 1026255725 /nfs/dbraw/zinc/25/57/25/1026255725.db2.gz OKPKWPBFMBTKSL-UHFFFAOYSA-N 0 0 377.440 3.674 20 10 GHCDRN O=C(NCc1cc(Cl)cc(Cl)c1[O-])C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000839768984 1026256309 /nfs/dbraw/zinc/25/63/09/1026256309.db2.gz FGXHGAYBPCHOQI-AWEZNQCLSA-N 0 0 389.348 3.533 20 10 GHCDRN CNC(=O)NC1CCN(C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)CC1 ZINC000839898835 1026337772 /nfs/dbraw/zinc/33/77/72/1026337772.db2.gz KEUQZDDMEFNGIU-UHFFFAOYSA-N 0 0 396.535 3.751 20 10 GHCDRN C=CC(=O)Nc1cccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)c1 ZINC001141723514 1026342653 /nfs/dbraw/zinc/34/26/53/1026342653.db2.gz UZPDUJRCRSVCEK-UHFFFAOYSA-N 0 0 383.411 3.773 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cccc(Cn2ccnc2)c1 ZINC000839916265 1026345109 /nfs/dbraw/zinc/34/51/09/1026345109.db2.gz QKUKGCMMVHNDBR-SFHVURJKSA-N 0 0 376.504 3.667 20 10 GHCDRN Cc1nc(-c2ccc(C(=O)N[C@H](C)Cc3ccc(N(C)C)cc3C)cc2)n[nH]1 ZINC000839917665 1026345754 /nfs/dbraw/zinc/34/57/54/1026345754.db2.gz GHSZAKBBRJSMKD-OAHLLOKOSA-N 0 0 377.492 3.516 20 10 GHCDRN Cc1cc(C=O)c(O)c(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1 ZINC001163911056 1026359542 /nfs/dbraw/zinc/35/95/42/1026359542.db2.gz WXWZUPIPKRAJAX-UHFFFAOYSA-N 0 0 394.393 3.784 20 10 GHCDRN CCc1nc2sccc2c(N2CCN(c3ccc(OC)cc3OC)CC2)n1 ZINC001163952242 1026370855 /nfs/dbraw/zinc/37/08/55/1026370855.db2.gz ABPBHCBPNFMALD-UHFFFAOYSA-N 0 0 384.505 3.598 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCn3ccnc32)c(C)n1-c1ccccc1Br ZINC000833278712 1026377256 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ZINC001231911309 1034985451 /nfs/dbraw/zinc/98/54/51/1034985451.db2.gz JFRRCMRPVGDKEJ-UHFFFAOYSA-N 0 0 387.867 3.958 20 10 GHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 ZINC001231911647 1034986721 /nfs/dbraw/zinc/98/67/21/1034986721.db2.gz OCFQWBNCEFEBHH-LAUBAEHRSA-N 0 0 388.895 3.891 20 10 GHCDRN O=C(NCC1CC1)[C@@H]1CCC2(C1)CC[NH+](Cc1cccc(Cl)c1[O-])CC2 ZINC001231912139 1034987137 /nfs/dbraw/zinc/98/71/37/1034987137.db2.gz WWYDBCOWRDPZKU-MRXNPFEDSA-N 0 0 376.928 3.954 20 10 GHCDRN COC(OC)C(=O)Nc1nc(-c2cc(C)n(-c3ccc(F)cc3)c2C)cs1 ZINC001160530803 1034995747 /nfs/dbraw/zinc/99/57/47/1034995747.db2.gz ZQICTPYKZKAECA-UHFFFAOYSA-N 0 0 389.452 3.914 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2cnc3c(C)cccc3c2O)cc1F ZINC001160766786 1035062325 /nfs/dbraw/zinc/06/23/25/1035062325.db2.gz LIVWAUNERFTVJU-UHFFFAOYSA-N 0 0 381.451 3.752 20 10 GHCDRN COc1ccc(N2CCOC[C@]3(CCCN(Cc4ncsc4C)C3)C2)cc1 ZINC001232202442 1035158776 /nfs/dbraw/zinc/15/87/76/1035158776.db2.gz SZNGAGBNUDLVQJ-NRFANRHFSA-N 0 0 387.549 3.579 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(CCCN(C)C(=O)OC(C)(C)C)C1 ZINC001209138322 1035189712 /nfs/dbraw/zinc/18/97/12/1035189712.db2.gz FFYQLJFQKBJIDL-UHFFFAOYSA-N 0 0 387.524 3.802 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(CN2CC3CC2(C(=O)NCc2ccco2)C3)cc1 ZINC001209518604 1035300990 /nfs/dbraw/zinc/30/09/90/1035300990.db2.gz PEWZHUOIKPMCAL-UHFFFAOYSA-N 0 0 389.499 3.968 20 10 GHCDRN Cc1cc(CCNC(=O)[C@]2([C@H]3CCCCO3)CCCO2)c(C)n1-c1ccccc1 ZINC001461970455 1069921864 /nfs/dbraw/zinc/92/18/64/1069921864.db2.gz WPJBDKGUOOHPFV-ISKFKSNPSA-N 0 0 396.531 3.871 20 10 GHCDRN COC(=O)c1c(CNc2cccc(Cn3cccn3)c2)c2cc(F)ccc2n1C ZINC001461976946 1069925833 /nfs/dbraw/zinc/92/58/33/1069925833.db2.gz BBUCNSASQOEGMU-UHFFFAOYSA-N 0 0 392.434 3.961 20 10 GHCDRN Cc1cc(Br)ccc1NC(=S)NCCc1ccc(O)c(O)c1 ZINC001248348497 1035767558 /nfs/dbraw/zinc/76/75/58/1035767558.db2.gz QXOGVWVLUPEQDR-UHFFFAOYSA-N 0 0 381.295 3.698 20 10 GHCDRN Cc1cc(Br)ccc1NC(=S)NCc1cccc2ccnn21 ZINC001248349366 1035769095 /nfs/dbraw/zinc/76/90/95/1035769095.db2.gz GEBSVLFSOBWOHI-UHFFFAOYSA-N 0 0 375.295 3.892 20 10 GHCDRN COc1cc(O)c(CN2CCCC[C@@](C)(F)C2)cc1I ZINC001248461967 1035887039 /nfs/dbraw/zinc/88/70/39/1035887039.db2.gz IQCUWCSRFNPPQG-OAHLLOKOSA-N 0 0 393.240 3.720 20 10 GHCDRN COc1ccc(CN2CCCC[C@@](C)(F)C2)c(O)c1I ZINC001248481821 1035908716 /nfs/dbraw/zinc/90/87/16/1035908716.db2.gz HKXCRCZSJNBEKN-OAHLLOKOSA-N 0 0 393.240 3.720 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2cccc(OCC(N)=O)c2)c1 ZINC001248537685 1035941994 /nfs/dbraw/zinc/94/19/94/1035941994.db2.gz IMIAKFAWZZNEGJ-UHFFFAOYSA-N 0 0 397.862 3.864 20 10 GHCDRN O=C1NCCN(Cc2ccc(Cl)cc2O)[C@@H]1c1ccccc1C(F)(F)F ZINC001462072516 1069979969 /nfs/dbraw/zinc/97/99/69/1069979969.db2.gz KDQODUPHFJRZBV-MRXNPFEDSA-N 0 0 384.785 3.738 20 10 GHCDRN Cn1ccc(-c2ccc(-c3ncccc3C(=O)N3CCc4ccccc43)cn2)n1 ZINC001245204741 1036822322 /nfs/dbraw/zinc/82/23/22/1036822322.db2.gz LKZJYSXTYAEYSB-UHFFFAOYSA-N 0 0 381.439 3.747 20 10 GHCDRN CC[C@@H]1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C[C@@H](C)[S@@]1=O ZINC001462220895 1070096259 /nfs/dbraw/zinc/09/62/59/1070096259.db2.gz RVNZCOXTZYVISZ-RKQHAZBESA-N 0 0 382.573 3.981 20 10 GHCDRN CCOC(=O)C1(N(Cc2ccccc2)Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232264977 1037986070 /nfs/dbraw/zinc/98/60/70/1037986070.db2.gz MJAJAJKBNWVYQH-UHFFFAOYSA-N 0 0 375.852 3.849 20 10 GHCDRN COC(=O)c1c(CN2Cc3cnn(-c4ccccc4)c3C2)c2ccccc2n1C ZINC001232404060 1038187222 /nfs/dbraw/zinc/18/72/22/1038187222.db2.gz KUEQFHBSJDXCIP-UHFFFAOYSA-N 0 0 386.455 3.666 20 10 GHCDRN CCCOc1c(OC)cc(CC[NH2+]Cc2cc(F)c(F)cc2[O-])cc1OC ZINC001462249825 1070119450 /nfs/dbraw/zinc/11/94/50/1070119450.db2.gz NQGINGOHOSUJSF-UHFFFAOYSA-N 0 0 381.419 3.809 20 10 GHCDRN Fc1ccnc(CN2CCN(c3ccc(OCc4cccnc4)cc3)CC2)c1 ZINC001232498137 1038271852 /nfs/dbraw/zinc/27/18/52/1038271852.db2.gz QXDDVGNKGZNSOB-UHFFFAOYSA-N 0 0 378.451 3.517 20 10 GHCDRN Oc1cc2c(cc1O)CN(Cc1cnc(Cl)cc1Br)CCC2 ZINC001232686877 1038486722 /nfs/dbraw/zinc/48/67/22/1038486722.db2.gz XPECFBOEJMGVAK-UHFFFAOYSA-N 0 0 383.673 3.857 20 10 GHCDRN COC(=O)c1ccc(CN(C)Cc2ccc(N(C)C)cc2)c(Br)c1 ZINC001232726233 1038519959 /nfs/dbraw/zinc/51/99/59/1038519959.db2.gz CAOVEXSRMAVYAM-UHFFFAOYSA-N 0 0 391.309 3.934 20 10 GHCDRN Oc1cc(I)ccc1CN1CCC[C@@H]1c1nccs1 ZINC001232979644 1038747370 /nfs/dbraw/zinc/74/73/70/1038747370.db2.gz HUJPMHUDHOKYRW-GFCCVEGCSA-N 0 0 386.258 3.790 20 10 GHCDRN [O-]c1cc(Br)cc(F)c1CN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001233031820 1038785299 /nfs/dbraw/zinc/78/52/99/1038785299.db2.gz NRSPVZUVOSJULK-HOTGVXAUSA-N 0 0 391.284 3.753 20 10 GHCDRN CC(C)CN1c2ccccc2[C@]2(CC[N@H+](Cc3ccc(F)c(F)c3[O-])C2)C1=O ZINC001233077399 1038841722 /nfs/dbraw/zinc/84/17/22/1038841722.db2.gz OSNPLBZACGBNNA-JOCHJYFZSA-N 0 0 386.442 3.817 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)c(F)c2[O-])[C@H](C(F)(F)F)C1 ZINC001233079403 1038844659 /nfs/dbraw/zinc/84/46/59/1038844659.db2.gz AUHDZSVYFFVWIT-LBPRGKRZSA-N 0 0 396.356 3.654 20 10 GHCDRN CC(=O)N(C(C)C)C1CC[NH+](Cc2cc(Br)cc(C)c2O)CC1 ZINC001233111495 1038901916 /nfs/dbraw/zinc/90/19/16/1038901916.db2.gz QFOXGHVDLGXIBI-UHFFFAOYSA-N 0 0 383.330 3.684 20 10 GHCDRN Cc1cc(Br)cc(CN2CC[C@@H]2N(C)C(=O)OC(C)(C)C)c1O ZINC001233111467 1038902403 /nfs/dbraw/zinc/90/24/03/1038902403.db2.gz OYXFSAIOXQJBLG-CQSZACIVSA-N 0 0 385.302 3.862 20 10 GHCDRN COc1cc(O)c(CN2CCc3c(cccc3OC)C2)cc1Br ZINC001233140980 1038919331 /nfs/dbraw/zinc/91/93/31/1038919331.db2.gz ARNFPPWIJFMTFZ-UHFFFAOYSA-N 0 0 378.266 3.730 20 10 GHCDRN COc1cc(O)c(CN(C)Cc2nc3ccccc3o2)cc1Br ZINC001233140800 1038919482 /nfs/dbraw/zinc/91/94/82/1038919482.db2.gz UFPFLQTZPJAJSZ-UHFFFAOYSA-N 0 0 377.238 3.937 20 10 GHCDRN COc1ccc(N2CCN(Cc3cc(Cl)cnc3OC(C)C)CC2)cc1 ZINC001233164976 1038937345 /nfs/dbraw/zinc/93/73/45/1038937345.db2.gz OMPQSHQCASZMOJ-UHFFFAOYSA-N 0 0 375.900 3.853 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](C)C(=O)OC(C)(C)C ZINC001252345147 1038949248 /nfs/dbraw/zinc/94/92/48/1038949248.db2.gz UZSYNHOOAFVFFC-MRXNPFEDSA-N 0 0 377.529 3.650 20 10 GHCDRN COC(=O)c1cc(Br)c([O-])c(C[N@@H+]2CCCC(F)(F)CC2)c1 ZINC001233306289 1039096088 /nfs/dbraw/zinc/09/60/88/1039096088.db2.gz LSFMUQSFWZNTFR-UHFFFAOYSA-N 0 0 378.213 3.563 20 10 GHCDRN O=C(NCCc1ccnc2ccccc12)NCc1c(O)ccc2c1CCCC2 ZINC001252843549 1039203667 /nfs/dbraw/zinc/20/36/67/1039203667.db2.gz IAKNVLCNUCESEO-UHFFFAOYSA-N 0 0 375.472 3.861 20 10 GHCDRN COc1ccc(CC[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])C[C@@H](C)O)cc1 ZINC001233415628 1039269724 /nfs/dbraw/zinc/26/97/24/1039269724.db2.gz CYCJWKVJTYTDPQ-CQSZACIVSA-N 0 0 383.410 3.845 20 10 GHCDRN [O-]c1c(C[NH+]2CCC3(C[C@@H](c4cncnc4)CO3)CC2)cccc1C(F)(F)F ZINC001233416715 1039271547 /nfs/dbraw/zinc/27/15/47/1039271547.db2.gz SMFQZYYGTTUPIC-OAHLLOKOSA-N 0 0 393.409 3.740 20 10 GHCDRN CC(C)n1nc(CN(C)C)c2c1CN(Cc1cccc(C(F)(F)F)c1O)CC2 ZINC001233416424 1039271596 /nfs/dbraw/zinc/27/15/96/1039271596.db2.gz HPEIBOUFAJFGIF-UHFFFAOYSA-N 0 0 396.457 3.808 20 10 GHCDRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C[N@@H+]2Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233416567 1039272060 /nfs/dbraw/zinc/27/20/60/1039272060.db2.gz NDULYLFMDPBMFB-HIFRSBDPSA-N 0 0 386.414 3.852 20 10 GHCDRN CC(C)[N@@H+]1CCOC[C@]2(CCCN(Cc3cccc(C(F)(F)F)c3O)C2)C1 ZINC001233416339 1039272877 /nfs/dbraw/zinc/27/28/77/1039272877.db2.gz FDLYOYASUUWXKX-IBGZPJMESA-N 0 0 386.458 3.734 20 10 GHCDRN COC(=O)[C@@H]1[C@@H](c2ccccc2)OCCN1Cc1ccc(C(F)(F)F)cc1O ZINC001233456134 1039350211 /nfs/dbraw/zinc/35/02/11/1039350211.db2.gz MIAINZRSBABVJL-ZWKOTPCHSA-N 0 0 395.377 3.526 20 10 GHCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@@H]1C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 ZINC001233495888 1039389747 /nfs/dbraw/zinc/38/97/47/1039389747.db2.gz NFJFVZAFPRWGFR-BBEJJTJUSA-N 0 0 391.464 3.857 20 10 GHCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@H]1C[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001233495614 1039389963 /nfs/dbraw/zinc/38/99/63/1039389963.db2.gz PVLWSEIEVKLZED-BETUJISGSA-N 0 0 379.453 3.857 20 10 GHCDRN Cc1cc(CCNC(=O)NCC2(O)CCC(C)CC2)c(C)n1-c1ccccc1 ZINC001253807390 1039820371 /nfs/dbraw/zinc/82/03/71/1039820371.db2.gz ASMJASBKVHLQBU-UHFFFAOYSA-N 0 0 383.536 3.877 20 10 GHCDRN CCOc1ccc(N2CCN(c3nc(-c4ccncc4)nc(C)c3C)CC2)cc1 ZINC001253824799 1039830691 /nfs/dbraw/zinc/83/06/91/1039830691.db2.gz GGNAMKHBMYNISJ-UHFFFAOYSA-N 0 0 389.503 3.881 20 10 GHCDRN O=C(NCCc1c2ccccc2[nH]c1C(F)(F)F)NCc1ccccc1O ZINC001234383321 1039993064 /nfs/dbraw/zinc/99/30/64/1039993064.db2.gz JUNVFLUKFZXDEO-UHFFFAOYSA-N 0 0 377.366 3.934 20 10 GHCDRN COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H]4CN(C(=O)OC(C)(C)C)[C@H]4C3)c2c1 ZINC001234525389 1040101333 /nfs/dbraw/zinc/10/13/33/1040101333.db2.gz FEYQJKLPZKYTES-JXFKEZNVSA-N 0 0 398.503 3.995 20 10 GHCDRN COc1ccc2ccc(O)c(C[NH+]3CCC(C(=O)N4CCCCC4)CC3)c2c1 ZINC001234552580 1040121912 /nfs/dbraw/zinc/12/19/12/1040121912.db2.gz AOCSGRGGNMBWKI-UHFFFAOYSA-N 0 0 382.504 3.779 20 10 GHCDRN COc1ccc2ccc(O)c(C[NH+]3CCN(c4cc(Cl)ccn4)CC3)c2c1 ZINC001234552790 1040122172 /nfs/dbraw/zinc/12/21/72/1040122172.db2.gz IHFXOQCSLLSPBV-UHFFFAOYSA-N 0 0 383.879 3.925 20 10 GHCDRN COc1ccc2ccc(O)c(CN3Cc4nnc(C(F)(F)F)n4[C@H](C)C3)c2c1 ZINC001234569949 1040138286 /nfs/dbraw/zinc/13/82/86/1040138286.db2.gz VANLMJHQMDRXEV-LLVKDONJSA-N 0 0 392.381 3.741 20 10 GHCDRN CCCCOC(=O)[C@H](C)Oc1c(O)c(=O)cc2[nH]c(-c3ccccc3)cc(O)c1-2 ZINC001234679650 1040211827 /nfs/dbraw/zinc/21/18/27/1040211827.db2.gz QJNVGUJDQJJKOJ-ZDUSSCGKSA-N 0 0 397.427 3.717 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC001235058437 1040547954 /nfs/dbraw/zinc/54/79/54/1040547954.db2.gz MEQAIUUXNIRVSI-UHFFFAOYSA-N 0 0 379.273 3.612 20 10 GHCDRN [O-]c1c(CN2CCCC23CC[NH2+]CC3)cc(Br)cc1C(F)(F)F ZINC001235144486 1040639905 /nfs/dbraw/zinc/63/99/05/1040639905.db2.gz LVSWNOPNUJKZNU-UHFFFAOYSA-N 0 0 393.247 3.892 20 10 GHCDRN CCc1ccc(S(=O)(=O)NCc2cc(Cl)c3cccnc3c2O)cc1 ZINC001255101119 1040782503 /nfs/dbraw/zinc/78/25/03/1040782503.db2.gz QCXPJTZMUKMOED-UHFFFAOYSA-N 0 0 376.865 3.635 20 10 GHCDRN 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Cc1ccc(C)c(SCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000053449698 841381797 /nfs/dbraw/zinc/38/17/97/841381797.db2.gz JGYHQGJLSLGIFR-UHFFFAOYSA-N 0 0 388.508 3.688 20 10 GHCDRN COc1ccc(OC)c(CN(C(=O)NCc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000027352747 841386414 /nfs/dbraw/zinc/38/64/14/841386414.db2.gz KKHSZTMJYPBRNL-UHFFFAOYSA-N 0 0 383.492 3.644 20 10 GHCDRN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000164316559 841475549 /nfs/dbraw/zinc/47/55/49/841475549.db2.gz LCLVVZMUEBOMMW-UHFFFAOYSA-N 0 0 397.431 3.600 20 10 GHCDRN C[C@H](C[C@@H](O)c1ccccc1)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000160921175 841553616 /nfs/dbraw/zinc/55/36/16/841553616.db2.gz GSPSHUDEZDCKAM-DYESRHJHSA-N 0 0 399.560 3.551 20 10 GHCDRN COc1ccc(-c2noc([C@@H](O)Cc3ccc(O)c(O)c3)n2)c2ccccc12 ZINC001211667854 841729042 /nfs/dbraw/zinc/72/90/42/841729042.db2.gz FZDSYBIYPDFADU-SFHVURJKSA-N 0 0 378.384 3.586 20 10 GHCDRN CSC1(C[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])CCOCC1 ZINC000756734274 841850159 /nfs/dbraw/zinc/85/01/59/841850159.db2.gz VMILDMIZDCOMHT-SNVBAGLBSA-N 0 0 378.307 3.857 20 10 GHCDRN Cc1cc(C(=O)COc2nc(C)no2)c(C)n1-c1cccc(Br)c1 ZINC000730731073 861244189 /nfs/dbraw/zinc/24/41/89/861244189.db2.gz VDGNFLPYCVDUMR-UHFFFAOYSA-N 0 0 390.237 3.810 20 10 GHCDRN O=C(NC1(Cc2ccccc2)CCOCC1)c1cc2cc(O)c(O)cc2s1 ZINC000909380198 842229218 /nfs/dbraw/zinc/22/92/18/842229218.db2.gz XLWURAKSNSHFPN-UHFFFAOYSA-N 0 0 383.469 3.834 20 10 GHCDRN COc1cccc(CNC(=O)c2cccc3[nH]c(-c4cccs4)nc32)c1O ZINC000759958760 842291352 /nfs/dbraw/zinc/29/13/52/842291352.db2.gz PFCFZCMAZWSDGC-UHFFFAOYSA-N 0 0 379.441 3.936 20 10 GHCDRN COC(=O)C1CCC(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CC1 ZINC000106795086 842320425 /nfs/dbraw/zinc/32/04/25/842320425.db2.gz ARBHNEYSUIGUBJ-UHFFFAOYSA-N 0 0 384.476 3.564 20 10 GHCDRN COc1ccc(OC)c([C@H](C)NC(=O)COc2ccc(N3CCCC3)cc2)c1 ZINC000178192340 842399550 /nfs/dbraw/zinc/39/95/50/842399550.db2.gz JWFSGRRGLYNGOC-INIZCTEOSA-N 0 0 384.476 3.560 20 10 GHCDRN O=C(NCCCSc1nccs1)c1ccc(F)cc1Br ZINC000097571938 842568740 /nfs/dbraw/zinc/56/87/40/842568740.db2.gz GFEDJURKDIMGLM-UHFFFAOYSA-N 0 0 375.288 3.957 20 10 GHCDRN CCCN(CC(=O)NC)C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000255384323 842598310 /nfs/dbraw/zinc/59/83/10/842598310.db2.gz PNHBKSZMWHMEFR-UHFFFAOYSA-N 0 0 381.480 3.766 20 10 GHCDRN Cc1ccc(-c2noc([C@@H](O)c3ccc(N(C)C)cc3)n2)c(Br)c1 ZINC001211700870 842643731 /nfs/dbraw/zinc/64/37/31/842643731.db2.gz ACRDGUDWWHWVBO-INIZCTEOSA-N 0 0 388.265 3.955 20 10 GHCDRN Cc1cc(Br)ccc1-c1noc([C@@H](O)c2ccc(N(C)C)cc2)n1 ZINC001211701196 842666493 /nfs/dbraw/zinc/66/64/93/842666493.db2.gz NBMLVKARMUEYFY-INIZCTEOSA-N 0 0 388.265 3.955 20 10 GHCDRN CN(C)c1ccc([C@H](O)c2nc(-c3ccccc3N3CCCCC3)no2)cc1 ZINC001211701294 842677514 /nfs/dbraw/zinc/67/75/14/842677514.db2.gz QRMRXWKLMBANMT-FQEVSTJZSA-N 0 0 378.476 3.875 20 10 GHCDRN C[C@H]1c2nncn2CCN1C(=O)c1ccccc1/N=N/c1ccc(N(C)C)cc1 ZINC000276728817 842757037 /nfs/dbraw/zinc/75/70/37/842757037.db2.gz CZLHDVDXABMBNU-KGHZBTQCSA-N 0 0 389.463 3.977 20 10 GHCDRN CN(C)c1ccc([C@H](O)c2nc(-c3cccc(F)c3Br)no2)cc1 ZINC001211703569 843013396 /nfs/dbraw/zinc/01/33/96/843013396.db2.gz CURMXLAPEJOBCY-HNNXBMFYSA-N 0 0 392.228 3.786 20 10 GHCDRN CN(C)c1ccc(CN(Cc2cc3c(cc2O)OCO3)CC(F)(F)F)cc1 ZINC000728904793 843044137 /nfs/dbraw/zinc/04/41/37/843044137.db2.gz UWICUEJDXSQXLZ-UHFFFAOYSA-N 0 0 382.382 3.751 20 10 GHCDRN COc1ccc(CO)cc1N(c1ccc(N)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC001211525077 843211644 /nfs/dbraw/zinc/21/16/44/843211644.db2.gz NOUXEIIUDLQIJD-UHFFFAOYSA-N 0 0 398.484 3.605 20 10 GHCDRN Cc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)nnn1-c1ccccc1Cl ZINC000728857766 843218561 /nfs/dbraw/zinc/21/85/61/843218561.db2.gz VJELWOBOIPONPX-UHFFFAOYSA-N 0 0 383.883 3.567 20 10 GHCDRN CCOC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1C ZINC000731016698 861409356 /nfs/dbraw/zinc/40/93/56/861409356.db2.gz OPKIUPNSPGXSQQ-UHFFFAOYSA-N 0 0 397.519 3.975 20 10 GHCDRN Cc1sc2nc3n(c(=O)c2c1-c1ccccc1)CC/C3=C/c1cnnn1C 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GHCDRN CCN(CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C)c1ccc(OC)cc1 ZINC000728917405 843948480 /nfs/dbraw/zinc/94/84/80/843948480.db2.gz CGZNTYPPEWIQFZ-HSZRJFAPSA-N 0 0 398.503 3.806 20 10 GHCDRN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)Nc3ccc(N)cc3)cc2)c1 ZINC000237680538 843966355 /nfs/dbraw/zinc/96/63/55/843966355.db2.gz DITFVOIQEYNZIS-UHFFFAOYSA-N 0 0 396.468 3.906 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)c1nnn(-c2ccccc2Cl)c1C ZINC000728968717 844646714 /nfs/dbraw/zinc/64/67/14/844646714.db2.gz SYJZCKJBPLDFGN-UHFFFAOYSA-N 0 0 384.867 3.987 20 10 GHCDRN CCCc1ccc(N2C[C@@H](C(=O)N[C@@H](C)c3cc(OC)ccc3O)CC2=O)cc1 ZINC000728978924 844652653 /nfs/dbraw/zinc/65/26/53/844652653.db2.gz WQWMOZSMNDMTKK-RDJZCZTQSA-N 0 0 396.487 3.584 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccc(Cn3nc(C)cc3C)c2)c1 ZINC000728983338 844667606 /nfs/dbraw/zinc/66/76/06/844667606.db2.gz YGZROLIVWKSSQO-INIZCTEOSA-N 0 0 379.460 3.753 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(CCC(C)C)cc2)c1 ZINC000729061385 844703061 /nfs/dbraw/zinc/70/30/61/844703061.db2.gz CGOLKXMHHIGSFR-HNNXBMFYSA-N 0 0 384.476 3.805 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NCc2ccc(C(N)=O)o2)cc1 ZINC000255420884 844759529 /nfs/dbraw/zinc/75/95/29/844759529.db2.gz SXBPHEZFOUZJAW-UHFFFAOYSA-N 0 0 391.431 3.790 20 10 GHCDRN Cc1ccc2oc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)cc2n1 ZINC000729176834 844767012 /nfs/dbraw/zinc/76/70/12/844767012.db2.gz ZYDIIVKSKDTTDO-HUUCEWRRSA-N 0 0 397.450 3.819 20 10 GHCDRN CCCN(CC)C(=O)c1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000729179404 844768682 /nfs/dbraw/zinc/76/86/82/844768682.db2.gz GIUGRMIBSIQJAZ-UHFFFAOYSA-N 0 0 393.531 3.871 20 10 GHCDRN CN(Cc1nc2c(s1)CCCC2)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000176286521 844885278 /nfs/dbraw/zinc/88/52/78/844885278.db2.gz HOXGBIRMLQVJCC-UHFFFAOYSA-N 0 0 384.549 3.746 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCc1csc(N2CCCC2)n1 ZINC000472000740 845283318 /nfs/dbraw/zinc/28/33/18/845283318.db2.gz FWXSLUVKZAZRQZ-UHFFFAOYSA-N 0 0 397.548 3.585 20 10 GHCDRN C[C@H]1CCN(CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC[S@]1=O ZINC000277210177 845300829 /nfs/dbraw/zinc/30/08/29/845300829.db2.gz NECSUGLZTGSANN-OMTMNJFNSA-N 0 0 384.505 3.883 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCN1C(=O)Nc1ccccc1 ZINC000171435066 845314277 /nfs/dbraw/zinc/31/42/77/845314277.db2.gz YOVQICYRJHWBDI-NRFANRHFSA-N 0 0 392.503 3.600 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2nc(SC)ncc2Cl)cc1F ZINC000731345642 861580130 /nfs/dbraw/zinc/58/01/30/861580130.db2.gz FWOVDCPBGQWWID-UHFFFAOYSA-N 0 0 382.892 3.767 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)CCc2cc(OC)cc(OC)c2)cc1F ZINC000731345726 861580274 /nfs/dbraw/zinc/58/02/74/861580274.db2.gz HSCDPGKTVZYAFV-UHFFFAOYSA-N 0 0 388.483 3.938 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2cc(OC)c(OC)cc2OC)cc1F ZINC000731345772 861580739 /nfs/dbraw/zinc/58/07/39/861580739.db2.gz IHLKMMJIWUBFNU-UHFFFAOYSA-N 0 0 390.455 3.628 20 10 GHCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H](Cc1ccccc1)C1CC1 ZINC000761356678 861609014 /nfs/dbraw/zinc/60/90/14/861609014.db2.gz AHXJAXOJRCLUQP-GOSISDBHSA-N 0 0 384.863 3.831 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3COc4ccccc4C3)ccc21 ZINC000728460947 846025052 /nfs/dbraw/zinc/02/50/52/846025052.db2.gz OEMQEUREYKRGJU-SFHVURJKSA-N 0 0 392.499 3.886 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)NCCCOC2CCCC2)CCCC1 ZINC001125579919 846128111 /nfs/dbraw/zinc/12/81/11/846128111.db2.gz ZOPSMTPULKLHNA-UHFFFAOYSA-N 0 0 384.520 3.994 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1cc(F)ccc1Br ZINC000434153152 846311159 /nfs/dbraw/zinc/31/11/59/846311159.db2.gz XBEDDCSWMAVOKZ-UHFFFAOYSA-N 0 0 393.256 3.622 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000472182983 846492442 /nfs/dbraw/zinc/49/24/42/846492442.db2.gz OWSSFVSNTJEPLO-IBGZPJMESA-N 0 0 396.535 3.610 20 10 GHCDRN COc1ccccc1[C@H](C)NC(=O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000015571669 846521771 /nfs/dbraw/zinc/52/17/71/846521771.db2.gz KIWFJYYSVWUGSZ-IBGZPJMESA-N 0 0 395.547 3.995 20 10 GHCDRN CCc1cccc2c(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)c[nH]c21 ZINC000731571405 861718851 /nfs/dbraw/zinc/71/88/51/861718851.db2.gz UQTHYRAXLZAGIE-UHFFFAOYSA-N 0 0 377.488 3.630 20 10 GHCDRN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000272357418 847059036 /nfs/dbraw/zinc/05/90/36/847059036.db2.gz BNHYHLKHKVNQAB-MYWXAZLQSA-N 0 0 397.475 3.862 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1n[nH]cc1Br ZINC000731631645 861773967 /nfs/dbraw/zinc/77/39/67/861773967.db2.gz BEKDUQQGZSFEBJ-UHFFFAOYSA-N 0 0 379.283 3.571 20 10 GHCDRN C[C@H]([NH2+]Cc1nccn1C)c1cc(Br)cc(Br)c1[O-] ZINC000273557674 847370233 /nfs/dbraw/zinc/37/02/33/847370233.db2.gz HDWFZDGEOFPKCU-QMMMGPOBSA-N 0 0 389.091 3.502 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000159184027 847522100 /nfs/dbraw/zinc/52/21/00/847522100.db2.gz NGPOXEIICMWCNU-MOPGFXCFSA-N 0 0 386.442 3.564 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc(C(N)=O)cc1OC(C)C ZINC000421159017 847793660 /nfs/dbraw/zinc/79/36/60/847793660.db2.gz QGTTVJAOLXZQDZ-UHFFFAOYSA-N 0 0 394.475 3.695 20 10 GHCDRN 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FGMODKAOFXITJV-UHFFFAOYSA-N 0 0 393.390 3.720 20 10 GHCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCCC[C@]2(C)NC(=O)OC(C)(C)C)cc1 ZINC000765544180 860119419 /nfs/dbraw/zinc/11/94/19/860119419.db2.gz MLQQIYKPINDVIY-AVRDEDQJSA-N 0 0 389.540 3.842 20 10 GHCDRN O=C(NCCCCCc1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000727842004 860292231 /nfs/dbraw/zinc/29/22/31/860292231.db2.gz NDGRGOHVNNLEDB-UHFFFAOYSA-N 0 0 399.510 3.875 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1ccc(C(=O)Nc2nncs2)cn1 ZINC000840384377 860339419 /nfs/dbraw/zinc/33/94/19/860339419.db2.gz IZNOMKQKFLXKTN-CQSZACIVSA-N 0 0 396.520 3.603 20 10 GHCDRN CC(C)CC(C)(C)CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000083658733 860434806 /nfs/dbraw/zinc/43/48/06/860434806.db2.gz VJLGVFUQPRZLMI-UHFFFAOYSA-N 0 0 375.557 3.767 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCOc4ccccc43)cc2F)C[C@H](C)O1 ZINC000728179618 860451443 /nfs/dbraw/zinc/45/14/43/860451443.db2.gz RKKYAMKSRIVRPP-JTDSTZFVSA-N 0 0 398.478 3.622 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(NC(N)=O)cc3)ccc21 ZINC000484933371 860516848 /nfs/dbraw/zinc/51/68/48/860516848.db2.gz JALZSTCJLBCMPE-UHFFFAOYSA-N 0 0 380.448 3.647 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000802025874 860521075 /nfs/dbraw/zinc/52/10/75/860521075.db2.gz IGLCZUAZRXRDCV-FQEVSTJZSA-N 0 0 397.519 3.924 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](O)COc2cccc(C)c2)cc1 ZINC000920036650 881554530 /nfs/dbraw/zinc/55/45/30/881554530.db2.gz SFZITDQQWAKSIS-NRFANRHFSA-N 0 0 378.472 3.572 20 10 GHCDRN CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3cc(Br)cc(F)c3[O-])C2)n1 ZINC000922863124 860687979 /nfs/dbraw/zinc/68/79/79/860687979.db2.gz YVFAKUSWWAVDHV-BXKDBHETSA-N 0 0 384.249 3.665 20 10 GHCDRN C[C@H]1CC[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC001125131954 860922775 /nfs/dbraw/zinc/92/27/75/860922775.db2.gz PIKYHLQPRVLFRJ-SHTZXODSSA-N 0 0 384.442 3.985 20 10 GHCDRN CC1CCN(c2ccc(NC(=O)CCC(=O)NCc3ccccc3O)cc2)CC1 ZINC000730281744 860990003 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CCCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)CC)cc1 ZINC000282576456 863240556 /nfs/dbraw/zinc/24/05/56/863240556.db2.gz VRHVKIHACGOYOK-UHFFFAOYSA-N 0 0 375.490 3.628 20 10 GHCDRN Cc1nc(C(F)(F)F)ccc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000172229730 863360387 /nfs/dbraw/zinc/36/03/87/863360387.db2.gz WPTPWWNRHUSPPT-HNNXBMFYSA-N 0 0 394.393 3.936 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCc2ccc(Br)cc2)c1 ZINC000172291540 863427864 /nfs/dbraw/zinc/42/78/64/863427864.db2.gz ZOSSVCCWDJXDQC-GFCCVEGCSA-N 0 0 393.281 3.766 20 10 GHCDRN Cc1ccn(-c2ccccc2NC(=O)N2CCOc3cc(N(C)C)ccc32)n1 ZINC000183217806 863509717 /nfs/dbraw/zinc/50/97/17/863509717.db2.gz ZQLIFELJYGXKQA-UHFFFAOYSA-N 0 0 377.448 3.678 20 10 GHCDRN COc1ccc(O)c(CNC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)c1 ZINC000114544361 881673682 /nfs/dbraw/zinc/67/36/82/881673682.db2.gz MEFCSDBGNSQDIO-CVEARBPZSA-N 0 0 376.250 3.583 20 10 GHCDRN Cc1cc(C(=O)COc2cccc(CC(N)=O)c2)c(C)n1-c1cccc(C)c1 ZINC000747086795 881688056 /nfs/dbraw/zinc/68/80/56/881688056.db2.gz 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866279071 /nfs/dbraw/zinc/27/90/71/866279071.db2.gz QWZHEAGAERSJGY-UHFFFAOYSA-N 0 0 385.464 3.814 20 10 GHCDRN CC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)c21 ZINC000183432659 866722962 /nfs/dbraw/zinc/72/29/62/866722962.db2.gz GUXDCFZPMRYAOD-GFCCVEGCSA-N 0 0 395.459 3.996 20 10 GHCDRN Cc1cccc(C)c1NCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000741741612 866748576 /nfs/dbraw/zinc/74/85/76/866748576.db2.gz GFJUSRIULVPHHM-ROUUACIJSA-N 0 0 399.510 3.784 20 10 GHCDRN COc1cc(N(C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc(OC)c1OC ZINC000741795231 866799765 /nfs/dbraw/zinc/79/97/65/866799765.db2.gz HXWMRUFLOLIKAW-HNNXBMFYSA-N 0 0 394.512 3.796 20 10 GHCDRN CCOc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000920343151 882033755 /nfs/dbraw/zinc/03/37/55/882033755.db2.gz OPBGTXJLIMPLEC-FQEVSTJZSA-N 0 0 384.476 3.682 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000742057147 867012135 /nfs/dbraw/zinc/01/21/35/867012135.db2.gz KKZBJSDNECFZGV-FQEVSTJZSA-N 0 0 399.922 3.808 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1cc(Br)cc(Br)c1[O-] ZINC000762650333 886616739 /nfs/dbraw/zinc/61/67/39/886616739.db2.gz QIDLTVYCNYOPDQ-MWODSPESSA-N 0 0 393.119 3.993 20 10 GHCDRN O=C1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CN1[C@H]1C[C@H]1c1ccccc1 ZINC000742392821 867257232 /nfs/dbraw/zinc/25/72/32/867257232.db2.gz SSQYYAZATUAWSD-BQFCYCMXSA-N 0 0 391.298 3.946 20 10 GHCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccn(-c2cccc(F)c2)n1 ZINC000742468458 867313947 /nfs/dbraw/zinc/31/39/47/867313947.db2.gz FJDSUQDBFPPMRW-UHFFFAOYSA-N 0 0 378.451 3.932 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cn(Cc3cccs3)nn2)cc1 ZINC000742499188 867327177 /nfs/dbraw/zinc/32/71/77/867327177.db2.gz XQKDGXFPKRJMBZ-UHFFFAOYSA-N 0 0 383.521 3.506 20 10 GHCDRN CCCOc1ccc(CCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000742574040 867384320 /nfs/dbraw/zinc/38/43/20/867384320.db2.gz QEKGGBWXQVYXOW-UHFFFAOYSA-N 0 0 382.504 3.561 20 10 GHCDRN CCO[C@H](C)c1ncc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000742582678 867391480 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GHCDRN COc1ccccc1[C@@H](CO)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000771145681 875073938 /nfs/dbraw/zinc/07/39/38/875073938.db2.gz XGNILZMBDYZRIO-HXUWFJFHSA-N 0 0 382.435 3.705 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000105177268 875108535 /nfs/dbraw/zinc/10/85/35/875108535.db2.gz XYQKMJXPHQZZSO-UHFFFAOYSA-N 0 0 393.447 3.509 20 10 GHCDRN CN(C)c1cc(F)c(CNc2ccc(Cc3nnc4n3CCC4)cc2)cc1F ZINC000858159836 882897059 /nfs/dbraw/zinc/89/70/59/882897059.db2.gz HQDMJIAYAZVIOL-UHFFFAOYSA-N 0 0 383.446 3.771 20 10 GHCDRN Cc1ccc(C(C)(C)CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)nc1 ZINC000858159864 882897471 /nfs/dbraw/zinc/89/74/71/882897471.db2.gz IMSLELGBWZWUMV-GOSISDBHSA-N 0 0 396.535 3.565 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@H](CO)c3ccccc3C)c2C)cc1 ZINC000771211412 875125309 /nfs/dbraw/zinc/12/53/09/875125309.db2.gz LLULXEROZXPBPH-JOCHJYFZSA-N 0 0 378.472 3.875 20 10 GHCDRN COC(=O)c1ccc([C@H](NC(=O)N(C)Cc2ccccc2O)C(F)(F)F)cc1 ZINC000776018810 875138808 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COc1cc(NC(=S)N(C)Cc2ccc(N(C)C)cc2)cc(OC)c1OC ZINC001199874429 875224118 /nfs/dbraw/zinc/22/41/18/875224118.db2.gz PGEJBYAACRFJAN-UHFFFAOYSA-N 0 0 389.521 3.607 20 10 GHCDRN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)NCCCSc1nccs1 ZINC000776053420 875285470 /nfs/dbraw/zinc/28/54/70/875285470.db2.gz SOUOXCPDESDFAL-WFASDCNBSA-N 0 0 383.514 3.840 20 10 GHCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@H]2Cc3ccccc3S2)cc1 ZINC000105474464 875301131 /nfs/dbraw/zinc/30/11/31/875301131.db2.gz ZVAMPXPQOIJUJC-IFMALSPDSA-N 0 0 396.556 3.977 20 10 GHCDRN COc1cccc(CNC(=O)c2cc3c(cc(Br)cc3F)[nH]2)c1O ZINC000105650105 875354566 /nfs/dbraw/zinc/35/45/66/875354566.db2.gz GIECSSAUURSMRI-UHFFFAOYSA-N 0 0 393.212 3.714 20 10 GHCDRN COc1cccc(CNC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)c1O ZINC000105649582 875354642 /nfs/dbraw/zinc/35/46/42/875354642.db2.gz BGDBLZVSBLUQRQ-UHFFFAOYSA-N 0 0 392.242 3.823 20 10 GHCDRN COc1ccc(NC(=S)NCc2cc(C)c(Br)cn2)c(OC)c1 ZINC001200984879 875445715 /nfs/dbraw/zinc/44/57/15/875445715.db2.gz JZBGEJUGUDQVBG-UHFFFAOYSA-N 0 0 396.310 3.656 20 10 GHCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc(OC(F)F)cc1 ZINC000771805619 875487596 /nfs/dbraw/zinc/48/75/96/875487596.db2.gz LFOPWRBALWUPIY-UHFFFAOYSA-N 0 0 382.750 3.616 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1CCc2ccccc2CC1 ZINC000858201391 882935067 /nfs/dbraw/zinc/93/50/67/882935067.db2.gz NLCNDYSKGBAESP-UHFFFAOYSA-N 0 0 378.516 3.677 20 10 GHCDRN Cc1cc(C(=O)OC[C@H]2CN(c3ccccc3)C(=O)O2)c(C)n1-c1ccccn1 ZINC000771991886 875596649 /nfs/dbraw/zinc/59/66/49/875596649.db2.gz DSPJKICZDFRMTF-GOSISDBHSA-N 0 0 391.427 3.671 20 10 GHCDRN O=C(NCCc1cc(Cl)ccc1Br)NCc1ccccc1O ZINC000772015204 875617409 /nfs/dbraw/zinc/61/74/09/875617409.db2.gz QQOPDWZEDGFSDQ-UHFFFAOYSA-N 0 0 383.673 3.850 20 10 GHCDRN O=C(NCCCSc1nccs1)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000776160252 875663072 /nfs/dbraw/zinc/66/30/72/875663072.db2.gz BCSRTXRZQCVOHO-IBGZPJMESA-N 0 0 389.546 3.856 20 10 GHCDRN C[C@@H]1[C@H](C)N(C(=O)c2ccccc2SCc2cccs2)CCS1(=O)=O ZINC000121576468 875675106 /nfs/dbraw/zinc/67/51/06/875675106.db2.gz QHBGQHNUJCHDAA-UONOGXRCSA-N 0 0 395.571 3.688 20 10 GHCDRN C[C@@H](NC(=O)Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000151605629 875679539 /nfs/dbraw/zinc/67/95/39/875679539.db2.gz VANMOTSUJQWLLM-MRXNPFEDSA-N 0 0 391.475 3.796 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(-n3cc(C)cn3)c(F)c2)c1 ZINC000151618485 875695091 /nfs/dbraw/zinc/69/50/91/875695091.db2.gz FBAIIOLEVQKHLW-CYBMUJFWSA-N 0 0 384.411 3.917 20 10 GHCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1c(O)cccc1F ZINC000772115011 875705450 /nfs/dbraw/zinc/70/54/50/875705450.db2.gz NNCCTFINHHFLJX-LBPRGKRZSA-N 0 0 380.366 3.532 20 10 GHCDRN CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc([N+](=O)[O-])c(OC)c1O ZINC000772179438 875735932 /nfs/dbraw/zinc/73/59/32/875735932.db2.gz RRXLNHOVGMPYCJ-KRWDZBQOSA-N 0 0 391.811 3.939 20 10 GHCDRN CN(C)C(=O)c1cc(F)cc(-n2c(N)c(/N=N/c3ccccc3)ccc2=N)c1 ZINC001201518475 875742881 /nfs/dbraw/zinc/74/28/81/875742881.db2.gz DJTNIOPRDWGOBH-CWVRCJGXSA-N 0 0 378.411 3.795 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3cccc(OC(F)(F)F)c3)CC2)cc1 ZINC000151656018 875755984 /nfs/dbraw/zinc/75/59/84/875755984.db2.gz ZMSPLYPMVKGIRA-UHFFFAOYSA-N 0 0 394.393 3.993 20 10 GHCDRN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc(C)n(-c3ccccc3C)c1C)CC2 ZINC000151698133 875784210 /nfs/dbraw/zinc/78/42/10/875784210.db2.gz PSQQWVSJSHVFFD-YADHBBJMSA-N 0 0 396.531 3.795 20 10 GHCDRN CCN(Cc1ccccc1O)S(=O)(=O)c1ccc(Oc2ccncc2)cc1 ZINC001201611258 875787008 /nfs/dbraw/zinc/78/70/08/875787008.db2.gz FEAGWSNEVUUVHF-UHFFFAOYSA-N 0 0 384.457 3.790 20 10 GHCDRN Cc1ccc(NCc2cc(F)c(N(C)C)cc2F)cc1-c1nnnn1C1CC1 ZINC001201962745 875956059 /nfs/dbraw/zinc/95/60/59/875956059.db2.gz HSJNBIGVNUKRLL-UHFFFAOYSA-N 0 0 384.434 3.940 20 10 GHCDRN Cc1cc(CC(=O)NC[C@@H](O)c2cccnc2)c(C)n1-c1ccc(Cl)cc1 ZINC000772521679 875995340 /nfs/dbraw/zinc/99/53/40/875995340.db2.gz DCTDJZULQGMJME-HXUWFJFHSA-N 0 0 383.879 3.535 20 10 GHCDRN Cc1cc(CCNC(=O)N(C)C2CCC(CO)CC2)c(C)n1-c1ccccc1 ZINC000772590057 876017541 /nfs/dbraw/zinc/01/75/41/876017541.db2.gz KCGFIPLOSFARTN-UHFFFAOYSA-N 0 0 383.536 3.829 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000772558751 876025439 /nfs/dbraw/zinc/02/54/39/876025439.db2.gz VBSRAMAACANSDT-XMSQKQJNSA-N 0 0 380.488 3.848 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N(C)CC(=O)N2CCCC2)cc1 ZINC000772630829 876042373 /nfs/dbraw/zinc/04/23/73/876042373.db2.gz NRQIEGMFBNHJOG-UHFFFAOYSA-N 0 0 393.491 3.862 20 10 GHCDRN Cc1c(NCc2cccc(Br)c2O)cccc1N1CCNC1=O ZINC000785557635 876107192 /nfs/dbraw/zinc/10/71/92/876107192.db2.gz TYSPOIYNPGVIQQ-UHFFFAOYSA-N 0 0 376.254 3.605 20 10 GHCDRN O=C(C1=CC(=O)CS1)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000776265229 876120621 /nfs/dbraw/zinc/12/06/21/876120621.db2.gz PFTSTRFQQKNANY-ZDUSSCGKSA-N 0 0 386.242 3.569 20 10 GHCDRN COC(=O)Nc1cccc(C[NH2+]Cc2cc(Br)cc(F)c2[O-])c1 ZINC001202357384 876159627 /nfs/dbraw/zinc/15/96/27/876159627.db2.gz SPODSJKRGVRHKT-UHFFFAOYSA-N 0 0 383.217 3.762 20 10 GHCDRN O=C(NCCCSc1nccs1)N1CCC[C@@H](Cc2nccs2)C1 ZINC000921447283 883006388 /nfs/dbraw/zinc/00/63/88/883006388.db2.gz DJTFSPMJBUFYAB-ZDUSSCGKSA-N 0 0 382.580 3.746 20 10 GHCDRN CC(C)COc1ccc(CC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000106634490 876226493 /nfs/dbraw/zinc/22/64/93/876226493.db2.gz IBPTXWBHQGLRCF-LJQANCHMSA-N 0 0 396.531 3.978 20 10 GHCDRN CCCn1c(=O)[nH]nc1SCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C ZINC000005971784 876248430 /nfs/dbraw/zinc/24/84/30/876248430.db2.gz OFMWZHOESRJXJI-UHFFFAOYSA-N 0 0 388.468 3.503 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2cnn(CC(F)(F)F)c2)cc1F ZINC000151950681 876269873 /nfs/dbraw/zinc/26/98/73/876269873.db2.gz ZLBIOLWIBCIQFK-UHFFFAOYSA-N 0 0 387.381 3.752 20 10 GHCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccc(OC(F)F)cn1 ZINC000776327432 876282490 /nfs/dbraw/zinc/28/24/90/876282490.db2.gz PXEWVBDVMAWFAM-UHFFFAOYSA-N 0 0 381.342 3.645 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccccc1Cn1cncn1 ZINC000173155599 876332867 /nfs/dbraw/zinc/33/28/67/876332867.db2.gz LTKBULPXDBDYIU-UHFFFAOYSA-N 0 0 389.503 3.589 20 10 GHCDRN Cc1cc(CC(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)no1 ZINC000785963892 876370208 /nfs/dbraw/zinc/37/02/08/876370208.db2.gz GCUULIBFZIOKSY-UHFFFAOYSA-N 0 0 384.407 3.807 20 10 GHCDRN O=C(/C=C\c1cnccn1)N1CCCc2c(Br)ccc(Cl)c21 ZINC000776402602 876396819 /nfs/dbraw/zinc/39/68/19/876396819.db2.gz ZZDMTKXNUNPGJU-UTCJRWHESA-N 0 0 378.657 3.885 20 10 GHCDRN Cc1cc(NC(=O)NCc2c(O)ccc3c2CCCC3)n(-c2cc(C)ccn2)n1 ZINC000786067816 876411271 /nfs/dbraw/zinc/41/12/71/876411271.db2.gz FTEJORHKPGUYLN-UHFFFAOYSA-N 0 0 391.475 3.790 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)[C@H]3CCC(=O)c4ccccc43)CC2)cc1 ZINC000786052508 876429885 /nfs/dbraw/zinc/42/98/85/876429885.db2.gz PUIOLHOKEQFKLT-NRFANRHFSA-N 0 0 378.472 3.541 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)C[C@H]3c4ccccc4NC3=O)cc2)CC1 ZINC000108295968 876452543 /nfs/dbraw/zinc/45/25/43/876452543.db2.gz BBDCHSTWXYBNCF-FQEVSTJZSA-N 0 0 377.488 3.665 20 10 GHCDRN Cc1cc(CC(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)c(C)n1-c1ccc(Cl)cc1 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COc1ccc(O)c(CNC(=O)NC[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)c1 ZINC000174929175 883054880 /nfs/dbraw/zinc/05/48/80/883054880.db2.gz PTAYAWPVQSKYHT-LAUBAEHRSA-N 0 0 384.476 3.676 20 10 GHCDRN CCN(C(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(OC)c(OC)c1 ZINC000858400580 883070548 /nfs/dbraw/zinc/07/05/48/883070548.db2.gz KPCIGEKTTAWNIQ-OAHLLOKOSA-N 0 0 390.480 3.670 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c1 ZINC000850385152 876870950 /nfs/dbraw/zinc/87/09/50/876870950.db2.gz YVLGCVHQBOEYIR-RHSMWYFYSA-N 0 0 378.314 3.698 20 10 GHCDRN CC(=O)NCc1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])cc1 ZINC000850484102 876957127 /nfs/dbraw/zinc/95/71/27/876957127.db2.gz CGMYTEASXSXUIU-NSHDSACASA-N 0 0 395.272 3.781 20 10 GHCDRN C[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1cc(Br)cc(F)c1[O-] ZINC000850562711 877028474 /nfs/dbraw/zinc/02/84/74/877028474.db2.gz PENMRTYZQAXYMK-PIGZYNQJSA-N 0 0 390.293 3.512 20 10 GHCDRN C[C@@H]([NH2+]Cc1cccc(COC[C@H]2CCCO2)c1)c1cc([N+](=O)[O-])ccc1[O-] 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ZINC000787599717 877517622 /nfs/dbraw/zinc/51/76/22/877517622.db2.gz WEQYTJGLVWGOEJ-UHFFFAOYSA-N 0 0 390.487 3.876 20 10 GHCDRN CCCCN(C)c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000109843652 877540202 /nfs/dbraw/zinc/54/02/02/877540202.db2.gz FAISOVBLLSQONO-UHFFFAOYSA-N 0 0 381.520 3.690 20 10 GHCDRN CN1CCCc2cc(CNS(=O)(=O)/C=C\c3ccc(Cl)cc3)ccc21 ZINC000746705441 877546290 /nfs/dbraw/zinc/54/62/90/877546290.db2.gz PJNPOSUUCQDMTN-BENRWUELSA-N 0 0 376.909 3.813 20 10 GHCDRN O=c1c(NCc2cc(Cl)c3cccnc3c2O)ccnn1-c1ccc(F)cc1 ZINC001168525568 877660052 /nfs/dbraw/zinc/66/00/52/877660052.db2.gz GGVKHKHDHYVEOL-UHFFFAOYSA-N 0 0 396.809 3.891 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)c2cc(C)sc2C)cc1 ZINC000787850996 877673452 /nfs/dbraw/zinc/67/34/52/877673452.db2.gz YCHXWHLYCBSEMR-OAHLLOKOSA-N 0 0 387.549 3.705 20 10 GHCDRN Cc1cccc(CN2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1O ZINC000179685518 877863918 /nfs/dbraw/zinc/86/39/18/877863918.db2.gz QEGZCSMJNOUUAO-UHFFFAOYSA-N 0 0 378.394 3.677 20 10 GHCDRN CC(=O)OC[C@H](C(=O)NCc1cc(Cl)c2cccnc2c1O)c1ccccc1 ZINC001183110863 912293021 /nfs/dbraw/zinc/29/30/21/912293021.db2.gz GZNNBYVUOOWIKE-KRWDZBQOSA-N 0 0 398.846 3.557 20 10 GHCDRN Cc1cc(C(=O)[C@H](C)N(C)CCCCO)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000788278594 877988593 /nfs/dbraw/zinc/98/85/93/877988593.db2.gz GUIBMUDSRVVNQR-INIZCTEOSA-N 0 0 394.462 3.971 20 10 GHCDRN CC(C)[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1F ZINC000852004502 878026369 /nfs/dbraw/zinc/02/63/69/878026369.db2.gz GNCUZVHOPQSLPX-OAQYLSRUSA-N 0 0 385.483 3.859 20 10 GHCDRN Cc1cccc2c1CCC[C@@H]2NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000852003784 878027040 /nfs/dbraw/zinc/02/70/40/878027040.db2.gz BEUWCCYTJAYUMF-QFIPXVFZSA-N 0 0 379.504 3.708 20 10 GHCDRN Cc1cc(C)c(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c(C)c1 ZINC000852027782 878041574 /nfs/dbraw/zinc/04/15/74/878041574.db2.gz YFEFQMDAKQYQFU-UHFFFAOYSA-N 0 0 381.520 3.572 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCc2cc(COC)cs2)cc1F ZINC000852083048 878067697 /nfs/dbraw/zinc/06/76/97/878067697.db2.gz 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COCc1csc(CNC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000852385760 878292833 /nfs/dbraw/zinc/29/28/33/878292833.db2.gz TXZWQCBCQKXJGH-HNNXBMFYSA-N 0 0 375.538 3.699 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N(C)C[C@H]3CCc4ccccc43)C2)cc1 ZINC000852386621 878293262 /nfs/dbraw/zinc/29/32/62/878293262.db2.gz IBMMAAHLBQCMSD-UYAOXDASSA-N 0 0 393.531 3.893 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H](C1CCC1)C1CCCC1 ZINC000852391651 878294738 /nfs/dbraw/zinc/29/47/38/878294738.db2.gz DWNGRXQJPOIYID-JOCHJYFZSA-N 0 0 385.552 3.806 20 10 GHCDRN O=C(Cc1cccc(Cl)c1Cl)NCc1ccc(N2CCOCC2)cc1 ZINC000788740919 878314757 /nfs/dbraw/zinc/31/47/57/878314757.db2.gz AGYQDNGBCDAUOH-UHFFFAOYSA-N 0 0 379.287 3.689 20 10 GHCDRN CC[C@H](Cc1ccc(F)cc1)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000852441740 878323521 /nfs/dbraw/zinc/32/35/21/878323521.db2.gz RNTPVIAZFPYPPC-OAQYLSRUSA-N 0 0 399.510 3.825 20 10 GHCDRN COc1ccc([C@H]2CCCN2C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000852454012 878334894 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COC(=O)CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)Cc1cc(Cl)ccc1O ZINC000761510744 879197634 /nfs/dbraw/zinc/19/76/34/879197634.db2.gz FUCIUYAKMIRDSE-UHFFFAOYSA-N 0 0 399.230 3.782 20 10 GHCDRN Cc1ccccc1-c1csc([N-]S(=O)(=O)c2ccc(C[NH+](C)C)cc2)n1 ZINC000789728824 879203000 /nfs/dbraw/zinc/20/30/00/879203000.db2.gz ZAYQITYYGKFGJZ-UHFFFAOYSA-N 0 0 387.530 3.981 20 10 GHCDRN CC(C)(NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(F)cc1 ZINC000853669206 879212607 /nfs/dbraw/zinc/21/26/07/879212607.db2.gz FENQZHBXWFPTEH-UHFFFAOYSA-N 0 0 385.483 3.521 20 10 GHCDRN CCCc1csc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)n1 ZINC000180694229 879217559 /nfs/dbraw/zinc/21/75/59/879217559.db2.gz MMJYZUCVRYCUBC-UHFFFAOYSA-N 0 0 378.473 3.597 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000122664039 879246138 /nfs/dbraw/zinc/24/61/38/879246138.db2.gz TWZCNWDIOLHWOP-INIZCTEOSA-N 0 0 379.464 3.656 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CC(=O)c2ccccc21 ZINC000789814446 879300906 /nfs/dbraw/zinc/30/09/06/879300906.db2.gz LBEXTCBAMIPFMT-INIZCTEOSA-N 0 0 388.261 3.873 20 10 GHCDRN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@@H](c2ccc(Cl)c(F)c2)C1=O ZINC000761580070 879329162 /nfs/dbraw/zinc/32/91/62/879329162.db2.gz SIQQJLRMVYQTBQ-DIFFPNOSSA-N 0 0 375.831 3.899 20 10 GHCDRN O=C(NCc1ccc(-c2nc3ccccc3[nH]2)cc1)c1c(F)ccc(O)c1O ZINC000789971700 879354503 /nfs/dbraw/zinc/35/45/03/879354503.db2.gz SREJQZIMUBQUGT-UHFFFAOYSA-N 0 0 377.375 3.710 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1c[nH]nc1-c1ccoc1 ZINC000789982324 879377614 /nfs/dbraw/zinc/37/76/14/879377614.db2.gz MAYMGAXNQWQTEY-UHFFFAOYSA-N 0 0 390.237 3.800 20 10 GHCDRN OC1CCN(c2ccc(CNc3nc(-c4cccc(Cl)c4)no3)cc2)CC1 ZINC000853955579 879398202 /nfs/dbraw/zinc/39/82/02/879398202.db2.gz GNWLADXUHOGLLF-UHFFFAOYSA-N 0 0 384.867 3.963 20 10 GHCDRN O=[N+]([O-])c1cc2ccccc2nc1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000853955325 879398741 /nfs/dbraw/zinc/39/87/41/879398741.db2.gz LBCOQPHRTIPFLT-UHFFFAOYSA-N 0 0 378.432 3.716 20 10 GHCDRN COc1ccc(CCS(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1 ZINC000790012995 879401846 /nfs/dbraw/zinc/40/18/46/879401846.db2.gz KRPYHADQARHLBS-UHFFFAOYSA-N 0 0 390.549 3.544 20 10 GHCDRN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000180954968 879524910 /nfs/dbraw/zinc/52/49/10/879524910.db2.gz QGJGWDIVGLEORG-MFMIUCCHSA-N 0 0 380.444 3.764 20 10 GHCDRN CCN(CC)c1ccc(CN(C)CCS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000790267833 879580125 /nfs/dbraw/zinc/58/01/25/879580125.db2.gz LEXDQYXCMDTUFQ-UHFFFAOYSA-N 0 0 378.513 3.578 20 10 GHCDRN CCC(=O)c1cccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000152725783 879617083 /nfs/dbraw/zinc/61/70/83/879617083.db2.gz KNYPJUPSMBZPBX-MRXNPFEDSA-N 0 0 381.476 3.999 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccc(NC(=O)C(C)C)cc3)C2)cc1 ZINC000854240743 879653939 /nfs/dbraw/zinc/65/39/39/879653939.db2.gz WETJWMFAUIVRIP-GOSISDBHSA-N 0 0 396.491 3.690 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3cccc(N4CCCC4)c3)C2)cc1 ZINC000854301428 879706310 /nfs/dbraw/zinc/70/63/10/879706310.db2.gz PGSAUFONRZTJHD-SFHVURJKSA-N 0 0 380.492 3.696 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854303023 879707536 /nfs/dbraw/zinc/70/75/36/879707536.db2.gz RQTDUCPSHHKVMU-IBGZPJMESA-N 0 0 396.535 3.572 20 10 GHCDRN CCS[C@H]1CCCCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000112135861 879719555 /nfs/dbraw/zinc/71/95/55/879719555.db2.gz QKSFSWRRQWJYGC-XLIONFOSSA-N 0 0 391.581 3.901 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@H]1c1ccccc1 ZINC000122993226 879770246 /nfs/dbraw/zinc/77/02/46/879770246.db2.gz CGNAWRMLWFPWGK-NRFANRHFSA-N 0 0 397.494 3.834 20 10 GHCDRN COC(=O)[C@H]1CCC[C@H](C(=O)n2c(=N)ccc(/N=N/c3ccccc3)c2N)C1 ZINC001183381288 912494609 /nfs/dbraw/zinc/49/46/09/912494609.db2.gz QMKRUJFTASNYMP-JTIXPSHQSA-N 0 0 381.436 3.585 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2nc(-c3ccsc3)ns2)c1 ZINC000790522415 879791963 /nfs/dbraw/zinc/79/19/63/879791963.db2.gz FGIVZLTUNCHIGP-SECBINFHSA-N 0 0 376.463 3.864 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)c1cccc(N2CCCC2)c1 ZINC000854442722 879815997 /nfs/dbraw/zinc/81/59/97/879815997.db2.gz VJZNWDTVSMTYDF-UHFFFAOYSA-N 0 0 375.266 3.685 20 10 GHCDRN Cc1cc(CC(=O)Nc2ncc(CCO)s2)c(C)n1-c1ccc(Cl)cc1 ZINC000854484035 879844994 /nfs/dbraw/zinc/84/49/94/879844994.db2.gz XZHLNKIWPKAUIL-UHFFFAOYSA-N 0 0 389.908 3.920 20 10 GHCDRN COc1ccc(N2CCN(Cc3conc3Cc3ccccc3)CC2)c(OC)c1 ZINC001183420137 912506223 /nfs/dbraw/zinc/50/62/23/912506223.db2.gz WNORDZBOGSUXNE-UHFFFAOYSA-N 0 0 393.487 3.605 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C12CC(c3ccccc3)(C1)C2 ZINC000790697306 879932369 /nfs/dbraw/zinc/93/23/69/879932369.db2.gz ZADOEZBTINQCFP-UHFFFAOYSA-N 0 0 394.490 3.525 20 10 GHCDRN CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)c2cccc(O)c2O)C1 ZINC000790715315 879948408 /nfs/dbraw/zinc/94/84/08/879948408.db2.gz AKXVRWNCVKIFMS-UHFFFAOYSA-N 0 0 384.432 3.643 20 10 GHCDRN COc1ccc(C2(C(=O)NCc3ccc(N(C)C)cc3)CCCC2)cc1OC ZINC000776753309 879994826 /nfs/dbraw/zinc/99/48/26/879994826.db2.gz SMIQNKQOSGMCMV-UHFFFAOYSA-N 0 0 382.504 3.898 20 10 GHCDRN COc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(OCCC(C)C)c1 ZINC000790868656 880036003 /nfs/dbraw/zinc/03/60/03/880036003.db2.gz ZLPGGGWAKSKYMG-OAHLLOKOSA-N 0 0 387.476 3.892 20 10 GHCDRN CCN(C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C)[C@H](C)CS(C)(=O)=O ZINC000112692443 880086546 /nfs/dbraw/zinc/08/65/46/880086546.db2.gz QGOYTQPBQPQRLY-CQSZACIVSA-N 0 0 396.940 3.643 20 10 GHCDRN O=C(NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1cccc(O)c1O ZINC000790938757 880115538 /nfs/dbraw/zinc/11/55/38/880115538.db2.gz MVAIDYFQNKKBHG-AWEZNQCLSA-N 0 0 380.469 3.757 20 10 GHCDRN CCOC(=O)c1oc2ccccc2c1COC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000772767700 880214377 /nfs/dbraw/zinc/21/43/77/880214377.db2.gz DZXITLJUXHKBGS-CSKARUKUSA-N 0 0 382.368 3.777 20 10 GHCDRN CC(C)(C)n1ncc(C(=O)NCc2cc(Cl)ccc2O)c1Br ZINC000855023250 880220884 /nfs/dbraw/zinc/22/08/84/880220884.db2.gz WHROGKVDWXNFDT-UHFFFAOYSA-N 0 0 386.677 3.690 20 10 GHCDRN CCN(C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)[C@H](C)CS(=O)(=O)CC ZINC000112957758 880228258 /nfs/dbraw/zinc/22/82/58/880228258.db2.gz NHUIHKDFHXXFLY-OAHLLOKOSA-N 0 0 394.512 3.519 20 10 GHCDRN CC[C@@H](C)c1nc(C)c(CC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c(C)n1 ZINC000855222910 880367668 /nfs/dbraw/zinc/36/76/68/880367668.db2.gz CTVGGTNIQAPQBN-QAPCUYQASA-N 0 0 396.535 3.553 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cc(Cl)c(Cl)nc3C)C2)cc1 ZINC000855225841 880369876 /nfs/dbraw/zinc/36/98/76/880369876.db2.gz MPLAWAHTOSQHLZ-GFCCVEGCSA-N 0 0 380.275 3.714 20 10 GHCDRN CCc1c(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cnn1CCC(C)C ZINC000855225340 880370290 /nfs/dbraw/zinc/37/02/90/880370290.db2.gz MHMQLYJFFAPDOK-QGZVFWFLSA-N 0 0 384.524 3.509 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)C3(c4ccc(F)cc4F)CCC3)C2)cc1 ZINC000855226390 880370959 /nfs/dbraw/zinc/37/09/59/880370959.db2.gz ONQCYSBYKYCXCE-INIZCTEOSA-N 0 0 386.442 3.790 20 10 GHCDRN CCCc1c(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cnn1C1CCCC1 ZINC000855228090 880371859 /nfs/dbraw/zinc/37/18/59/880371859.db2.gz VBUBXFHAPVXIET-QGZVFWFLSA-N 0 0 396.535 3.968 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)C2)cc1 ZINC000855228216 880372256 /nfs/dbraw/zinc/37/22/56/880372256.db2.gz XNCLXZUQZRYHRK-MRXNPFEDSA-N 0 0 383.448 3.537 20 10 GHCDRN CCOc1ccc(SCC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000855228805 880373481 /nfs/dbraw/zinc/37/34/81/880373481.db2.gz GRSJGPWUHZXYJY-INIZCTEOSA-N 0 0 386.517 3.581 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cc(C)n(-c4ccccn4)c3C)C2)cc1 ZINC000855232157 880376253 /nfs/dbraw/zinc/37/62/53/880376253.db2.gz OOSWNMMPDGRMNA-GOSISDBHSA-N 0 0 390.487 3.506 20 10 GHCDRN COCCC1([NH2+]Cc2cccc(Cl)c2[O-])CCN(C(=O)OC(C)(C)C)CC1 ZINC001183472054 912560827 /nfs/dbraw/zinc/56/08/27/912560827.db2.gz LDVQIPGAHSIAMS-UHFFFAOYSA-N 0 0 398.931 3.941 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)CCCCC(=O)c3ccccc3)C2)cc1 ZINC000855232698 880378169 /nfs/dbraw/zinc/37/81/69/880378169.db2.gz XELGWBBBGRSMNA-IBGZPJMESA-N 0 0 380.488 3.833 20 10 GHCDRN CC[C@H](C)n1ncc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1C1CC1 ZINC000855233722 880378783 /nfs/dbraw/zinc/37/87/83/880378783.db2.gz LGWNHHVXFGDXEX-RDJZCZTQSA-N 0 0 382.508 3.749 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)CSc3nccc4ccccc43)C2)cc1 ZINC000855233904 880379305 /nfs/dbraw/zinc/37/93/05/880379305.db2.gz OXGKNPKCRYYEBV-KRWDZBQOSA-N 0 0 393.512 3.731 20 10 GHCDRN CC(C)CCc1ccccc1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000747009784 880381152 /nfs/dbraw/zinc/38/11/52/880381152.db2.gz KCQVJZXNPYXNNQ-UHFFFAOYSA-N 0 0 385.483 3.735 20 10 GHCDRN COCC1(C2CCC2)CN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1 ZINC000855530522 880568261 /nfs/dbraw/zinc/56/82/61/880568261.db2.gz HICJGKWVSQBWGV-UHFFFAOYSA-N 0 0 382.504 3.991 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCc1ccc(S(C)(=O)=O)cc1 ZINC000791763221 880692338 /nfs/dbraw/zinc/69/23/38/880692338.db2.gz FVXSGXIEEFYXHN-UHFFFAOYSA-N 0 0 389.498 3.916 20 10 GHCDRN C[C@H](Nc1cccc(CN2CCCC2=O)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000776833000 880733317 /nfs/dbraw/zinc/73/33/17/880733317.db2.gz AUTMDGGXETXYCJ-KRWDZBQOSA-N 0 0 397.494 3.958 20 10 GHCDRN Cc1cc(CC(=O)Nc2ccn(C3CCOCC3)n2)c(C)n1-c1ccccc1 ZINC000855865637 880830477 /nfs/dbraw/zinc/83/04/77/880830477.db2.gz VXJZRJATDKGLRJ-UHFFFAOYSA-N 0 0 378.476 3.823 20 10 GHCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1nc(Br)ccc1F ZINC000792097033 880927073 /nfs/dbraw/zinc/92/70/73/880927073.db2.gz ORDZUATYPVYYER-UHFFFAOYSA-N 0 0 392.272 3.904 20 10 GHCDRN O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CC[C@@H]2C[C@@H]2C1 ZINC000856060442 880939359 /nfs/dbraw/zinc/93/93/59/880939359.db2.gz ZEQCGJSXOQAHDX-WYMRFSOBSA-N 0 0 392.571 3.598 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1cccc(C)n1 ZINC000792238345 880998435 /nfs/dbraw/zinc/99/84/35/880998435.db2.gz QHDXJWSTVWJCJN-UHFFFAOYSA-N 0 0 392.297 3.632 20 10 GHCDRN COCCN(Cc1ccc(-n2ccnc2)cc1C)c1ccc(OC)c(OC)c1 ZINC000792254227 881018773 /nfs/dbraw/zinc/01/87/73/881018773.db2.gz GKJOXCZEXWYREJ-UHFFFAOYSA-N 0 0 381.476 3.851 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)CN(Cc2c(F)cccc2F)C2CC2)cc1 ZINC000792318587 881043120 /nfs/dbraw/zinc/04/31/20/881043120.db2.gz JRPVPBKULSERMV-UHFFFAOYSA-N 0 0 387.474 3.654 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(OC2CCCC2)cc1 ZINC000856209901 881043377 /nfs/dbraw/zinc/04/33/77/881043377.db2.gz GQOUVFPFCSKSIF-UHFFFAOYSA-N 0 0 394.515 3.899 20 10 GHCDRN CCc1cccc2c(CC(=O)NCc3ccc(N4CCC(O)CC4)cc3)c[nH]c21 ZINC000856211437 881045196 /nfs/dbraw/zinc/04/51/96/881045196.db2.gz PXCKYFSBNXIGTP-UHFFFAOYSA-N 0 0 391.515 3.550 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1ncsc1-c1ccccc1 ZINC000856213211 881047132 /nfs/dbraw/zinc/04/71/32/881047132.db2.gz YKIYCCSESYMUIW-UHFFFAOYSA-N 0 0 393.512 3.701 20 10 GHCDRN C[C@@H](CCCc1ccccc1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856212772 881047941 /nfs/dbraw/zinc/04/79/41/881047941.db2.gz RPRWEMIWRQQRLP-IBGZPJMESA-N 0 0 380.532 3.923 20 10 GHCDRN CSc1cccc(-n2c(C)cc(C(=O)CN3CCn4cnnc4[C@@H]3C)c2C)c1 ZINC000792375390 881061421 /nfs/dbraw/zinc/06/14/21/881061421.db2.gz JRCYMEGVFZRATR-INIZCTEOSA-N 0 0 395.532 3.667 20 10 GHCDRN C[C@H](NC(=O)c1c[nH]c2ncc(Br)cc12)c1ccc(N(C)C)cc1 ZINC000792331974 881063665 /nfs/dbraw/zinc/06/36/65/881063665.db2.gz AUGQENBJPVFXRT-NSHDSACASA-N 0 0 387.281 3.882 20 10 GHCDRN Cc1cc(C(=O)CN2CCn3cnnc3[C@H]2C)c(C)n1-c1cc(C)cc(C)c1 ZINC000792380413 881089738 /nfs/dbraw/zinc/08/97/38/881089738.db2.gz TXCBTNKHHNGQBU-GOSISDBHSA-N 0 0 377.492 3.562 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1cccc2ccccc21 ZINC000010906300 881093566 /nfs/dbraw/zinc/09/35/66/881093566.db2.gz OADILWCVTFOPIG-UHFFFAOYSA-N 0 0 390.483 3.714 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCn3c(nnc3C(C)(C)C)C2)cc1 ZINC000856362876 881174149 /nfs/dbraw/zinc/17/41/49/881174149.db2.gz TZHAIEWWDISNNP-UHFFFAOYSA-N 0 0 377.492 3.639 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc2ccccn2c1 ZINC000114272097 881232173 /nfs/dbraw/zinc/23/21/73/881232173.db2.gz PJSZJMLLZFDKKT-UHFFFAOYSA-N 0 0 385.414 3.940 20 10 GHCDRN CC[C@@]1(C(=O)N[C@@H](C)c2cc(OC)ccc2O)CCCN1C(=O)OC(C)(C)C ZINC000772805299 881267509 /nfs/dbraw/zinc/26/75/09/881267509.db2.gz WWKTXXUYGPOKTA-QKKBWIMNSA-N 0 0 392.496 3.758 20 10 GHCDRN Cc1ccc2[nH]c(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc2c1 ZINC000919969237 881308895 /nfs/dbraw/zinc/30/88/95/881308895.db2.gz RKEKMOXCCXXJPL-UHFFFAOYSA-N 0 0 377.488 3.615 20 10 GHCDRN COc1cc(Br)cc([C@H](C)Nc2cnc(OC)c(OC)c2)c1O ZINC000858482376 883133403 /nfs/dbraw/zinc/13/34/03/883133403.db2.gz POJVDSWKKKXHCP-VIFPVBQESA-N 0 0 383.242 3.749 20 10 GHCDRN O=[N+]([O-])c1cc2c(ncnc2NCc2cccc(Br)c2O)s1 ZINC000804654673 883201439 /nfs/dbraw/zinc/20/14/39/883201439.db2.gz WKNZWGYIJXJJKB-UHFFFAOYSA-N 0 0 381.211 3.680 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)c1 ZINC000858592417 883220336 /nfs/dbraw/zinc/22/03/36/883220336.db2.gz BAGNRMBPDFNXPO-BHYGNILZSA-N 0 0 390.524 3.892 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)c1 ZINC000858592418 883220624 /nfs/dbraw/zinc/22/06/24/883220624.db2.gz BAGNRMBPDFNXPO-HYVNUMGLSA-N 0 0 390.524 3.892 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCn3cc(C(F)(F)F)nc32)cc1 ZINC000858605284 883227652 /nfs/dbraw/zinc/22/76/52/883227652.db2.gz RBUXWNVXVJRRMR-INIZCTEOSA-N 0 0 394.441 3.942 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCOC[C@@H]3CC(F)F)c2C)cc1 ZINC000804724457 883286390 /nfs/dbraw/zinc/28/63/90/883286390.db2.gz NFDBXQBQGYBLAV-INIZCTEOSA-N 0 0 378.419 3.599 20 10 GHCDRN COc1cccc2cc(C(=O)NCc3cc(Br)ccc3O)oc21 ZINC000804739754 883300292 /nfs/dbraw/zinc/30/02/92/883300292.db2.gz RGQDDELUFGXIEX-UHFFFAOYSA-N 0 0 376.206 3.840 20 10 GHCDRN C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1cc(Br)ccc1O ZINC000804733717 883313495 /nfs/dbraw/zinc/31/34/95/883313495.db2.gz YEACNEIPONBBHD-GFCCVEGCSA-N 0 0 390.277 3.727 20 10 GHCDRN O=C(CCCOCCc1ccccc1)NCc1cc(Br)ccc1O ZINC000804734092 883316238 /nfs/dbraw/zinc/31/62/38/883316238.db2.gz COFMBQLWLTYSKI-UHFFFAOYSA-N 0 0 392.293 3.810 20 10 GHCDRN Cc1cccc(OCCCC(=O)NCc2cc(Br)ccc2O)c1 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ZINC000863165875 886901179 /nfs/dbraw/zinc/90/11/79/886901179.db2.gz DQQZYSZGIDCXGH-UHFFFAOYSA-N 0 0 381.520 3.605 20 10 GHCDRN COc1ccc(CNC(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C)c(O)c1 ZINC000808916540 886939707 /nfs/dbraw/zinc/93/97/07/886939707.db2.gz ZNAUPVPFXQTUNJ-UHFFFAOYSA-N 0 0 386.839 3.870 20 10 GHCDRN COCCc1noc(CNc2cc(Cl)ccc2C(=O)c2ccc(F)cc2)n1 ZINC000809195032 887189294 /nfs/dbraw/zinc/18/92/94/887189294.db2.gz KGVHUEZCSXTNCO-UHFFFAOYSA-N 0 0 389.814 3.894 20 10 GHCDRN C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000809243927 887222388 /nfs/dbraw/zinc/22/23/88/887222388.db2.gz OOHCGSAMUHULAD-LPHOPBHVSA-N 0 0 398.503 3.845 20 10 GHCDRN COc1cccc(CNC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)c1O ZINC000119642006 887391670 /nfs/dbraw/zinc/39/16/70/887391670.db2.gz ZYCILXZJSIMWJJ-NSHDSACASA-N 0 0 396.256 3.797 20 10 GHCDRN Cc1cc(CCNC(=O)C(=O)Nc2cc(C)ccc2F)c(C)n1-c1ccccc1 ZINC000915749258 887395097 /nfs/dbraw/zinc/39/50/97/887395097.db2.gz TVSGAESSOUQRBK-UHFFFAOYSA-N 0 0 393.462 3.839 20 10 GHCDRN C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC000119758339 887489485 /nfs/dbraw/zinc/48/94/85/887489485.db2.gz FKBRIJUXTUXFHH-SJKOYZFVSA-N 0 0 392.411 3.679 20 10 GHCDRN CCc1nnc([C@H](C)NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)[nH]1 ZINC000763009807 887546272 /nfs/dbraw/zinc/54/62/72/887546272.db2.gz KYDZQDQQYZCPLX-HNNXBMFYSA-N 0 0 384.528 3.696 20 10 GHCDRN CCS(=O)(=O)C[C@H](C)N(C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809576881 887555297 /nfs/dbraw/zinc/55/52/97/887555297.db2.gz RULCEBCJAUSPLL-SFHVURJKSA-N 0 0 386.561 3.504 20 10 GHCDRN O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000809689739 887666130 /nfs/dbraw/zinc/66/61/30/887666130.db2.gz BZVFPPCVYWHVDZ-JTQLQIEISA-N 0 0 399.240 3.980 20 10 GHCDRN COc1c([O-])c(C[NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)ccc1[N+](=O)[O-] ZINC000809689623 887707909 /nfs/dbraw/zinc/70/79/09/887707909.db2.gz SDKOEMZNILYJPW-UHFFFAOYSA-N 0 0 382.363 3.534 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000120142533 887886479 /nfs/dbraw/zinc/88/64/79/887886479.db2.gz VIMYQOBYEUXAHB-YADHBBJMSA-N 0 0 398.934 3.969 20 10 GHCDRN C[C@@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nc(-c2ccccc2)no1 ZINC000134570000 887887046 /nfs/dbraw/zinc/88/70/46/887887046.db2.gz LSOYDHYDYLCMRI-INIZCTEOSA-N 0 0 393.491 3.748 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc(-c2cc(F)ccc2Br)n1C ZINC000809869223 887894928 /nfs/dbraw/zinc/89/49/28/887894928.db2.gz LNOSAYFSKFVSMW-UHFFFAOYSA-N 0 0 391.244 3.726 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc(-c2ccc(F)cc2Br)n1C ZINC000809877807 887908642 /nfs/dbraw/zinc/90/86/42/887908642.db2.gz REVIJUPWKMJECU-UHFFFAOYSA-N 0 0 391.244 3.726 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2nc([C@H](C)OC)ns2)cc1F ZINC000809923395 887973876 /nfs/dbraw/zinc/97/38/76/887973876.db2.gz KMBHEVREPLRTBT-NSHDSACASA-N 0 0 381.477 3.553 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000747583066 888012990 /nfs/dbraw/zinc/01/29/90/888012990.db2.gz GKJLPWUEOSTMNH-JWIGPWBQSA-N 0 0 387.549 3.701 20 10 GHCDRN Cc1cc(CNC(=O)c2nnn(-c3ccccc3)c2C)c(C)n1-c1ccccc1 ZINC001132047994 888151445 /nfs/dbraw/zinc/15/14/45/888151445.db2.gz FBZYJXSJVWIHMW-UHFFFAOYSA-N 0 0 385.471 3.913 20 10 GHCDRN Cc1cc(C(F)(F)F)nn1CC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001132048338 888153600 /nfs/dbraw/zinc/15/36/00/888153600.db2.gz QSQQZNASTRLDQF-UHFFFAOYSA-N 0 0 390.409 3.934 20 10 GHCDRN C[C@H](NC(=O)N1CC[C@@H](c2ccccc2)C1)c1ccc(N2CCOCC2)cc1 ZINC000120392471 888193427 /nfs/dbraw/zinc/19/34/27/888193427.db2.gz VVIGJEIKXNRBDZ-GHTZIAJQSA-N 0 0 379.504 3.783 20 10 GHCDRN COc1ccc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])c(OC)n1 ZINC000810260773 888324276 /nfs/dbraw/zinc/32/42/76/888324276.db2.gz PHGFZAQWEVIGDG-SECBINFHSA-N 0 0 385.233 3.557 20 10 GHCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCN(c3ccccc3Cl)C2)cc1F ZINC000810266208 888330566 /nfs/dbraw/zinc/33/05/66/888330566.db2.gz XGTCGJRNSMRJFL-HNNXBMFYSA-N 0 0 375.875 3.688 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNCc3cc4c(cc[nH]c4=O)o3)cc2F)C[C@H](C)O1 ZINC000865418724 888336473 /nfs/dbraw/zinc/33/64/73/888336473.db2.gz OTLZDTZZGFJLAY-OKILXGFUSA-N 0 0 385.439 3.576 20 10 GHCDRN CN(c1ccc(CNCc2cn(C[C@@H]3CCCO3)nn2)cc1)C1CCCCC1 ZINC000865436105 888349032 /nfs/dbraw/zinc/34/90/32/888349032.db2.gz UQRJBTGFOGDTQI-QFIPXVFZSA-N 0 0 383.540 3.516 20 10 GHCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2cc(OC)c(OC)c(C)c2OC)c1 ZINC000794842372 888384887 /nfs/dbraw/zinc/38/48/87/888384887.db2.gz SZCUELHELOCDMM-GFCCVEGCSA-N 0 0 375.421 3.686 20 10 GHCDRN Cc1ccc(CNC(=O)NCc2ccc(N(C)C)cc2)c(OC[C@H]2CCCO2)c1 ZINC000120622540 888436273 /nfs/dbraw/zinc/43/62/73/888436273.db2.gz HWXIWPZRCWDPKP-OAQYLSRUSA-N 0 0 397.519 3.618 20 10 GHCDRN Cc1ccccc1-n1nccc1/C=C1\SC(=S)N(Cc2ccon2)C1=O ZINC000794862391 888549147 /nfs/dbraw/zinc/54/91/47/888549147.db2.gz PWALWHFIXQMUNS-YBEGLDIGSA-N 0 0 382.470 3.570 20 10 GHCDRN Cc1cc(NS(=O)(=O)C2=Cc3cc(Br)ccc3OC2)ccc1O ZINC000794870014 888613050 /nfs/dbraw/zinc/61/30/50/888613050.db2.gz PVLZWMJVMWEYMU-UHFFFAOYSA-N 0 0 396.262 3.638 20 10 GHCDRN CC(C)c1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)nn1C(C)(C)C ZINC000916138643 888760134 /nfs/dbraw/zinc/76/01/34/888760134.db2.gz SABKSXBGQUFYNP-UHFFFAOYSA-N 0 0 398.551 3.870 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C2CCN(CC(F)(F)F)CC2)cc1 ZINC000916137932 888760791 /nfs/dbraw/zinc/76/07/91/888760791.db2.gz UYCKTJQYMGINMJ-UHFFFAOYSA-N 0 0 385.474 3.766 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)NCCc2ccc(C(=O)OC)cc2)cc1 ZINC000916248830 888871369 /nfs/dbraw/zinc/87/13/69/888871369.db2.gz KOTXFUSUPQGYBT-UHFFFAOYSA-N 0 0 397.519 3.704 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)C2(c3ccccc3Cl)CCOCC2)c1 ZINC000153925473 888878635 /nfs/dbraw/zinc/87/86/35/888878635.db2.gz HJRJKTYUCIADHV-AWEZNQCLSA-N 0 0 389.879 3.980 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cnn(-c3ccc(F)cc3F)c2C)c1 ZINC000153935112 888897534 /nfs/dbraw/zinc/89/75/34/888897534.db2.gz WNTIEQZYCWJQGH-LLVKDONJSA-N 0 0 387.386 3.664 20 10 GHCDRN COC(=O)c1ccc(Cl)c(/C=C2\SC(=S)N(c3cccnc3)C2=O)c1 ZINC000794931810 888941523 /nfs/dbraw/zinc/94/15/23/888941523.db2.gz PSJSMVOHDAIENS-ZSOIEALJSA-N 0 0 390.873 3.927 20 10 GHCDRN O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1cnn(-c2ccccc2)n1 ZINC000916545453 889100976 /nfs/dbraw/zinc/10/09/76/889100976.db2.gz JQQOCTBBSLDYLD-RAXLEYEMSA-N 0 0 375.819 3.575 20 10 GHCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc(=O)[nH]c2)cc1 ZINC000916557382 889120084 /nfs/dbraw/zinc/12/00/84/889120084.db2.gz PDTWCEMKKFDLGD-UHFFFAOYSA-N 0 0 377.444 3.709 20 10 GHCDRN O=C(CSc1ccc2c3c(cccc31)CC2)OCC(=O)c1ccc(O)c(O)c1 ZINC000916591533 889153690 /nfs/dbraw/zinc/15/36/90/889153690.db2.gz TUAORYIIFQGBFB-UHFFFAOYSA-N 0 0 394.448 3.868 20 10 GHCDRN COc1ccc(C2(CNC(=O)N[C@H](C)c3ccccc3O)CCOCC2)cc1 ZINC000868138084 889314764 /nfs/dbraw/zinc/31/47/64/889314764.db2.gz CXFGWRDZLBTARH-MRXNPFEDSA-N 0 0 384.476 3.509 20 10 GHCDRN COc1cccc([C@H](C)NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000298995991 921116129 /nfs/dbraw/zinc/11/61/29/921116129.db2.gz SEVCIBDTRHVMQM-JXFKEZNVSA-N 0 0 384.476 3.853 20 10 GHCDRN O=C(Nc1cccc(-n2cccn2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000916682578 889319198 /nfs/dbraw/zinc/31/91/98/889319198.db2.gz UIVYZECIEYDYPD-FQEVSTJZSA-N 0 0 392.459 3.791 20 10 GHCDRN COC(=O)CCCN1C(=O)/C(=C\c2cccc(-c3ccccn3)c2)SC1=S ZINC000747699246 889461779 /nfs/dbraw/zinc/46/17/79/889461779.db2.gz RUFCUDKTWFBDCR-GHRIWEEISA-N 0 0 398.509 3.903 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2cn(C)nc2C2CC2)c(C)n1-c1ccccc1 ZINC000811391276 889530774 /nfs/dbraw/zinc/53/07/74/889530774.db2.gz ZZJAZLZBOQLTCD-UHFFFAOYSA-N 0 0 377.444 3.745 20 10 GHCDRN COc1cc(Br)cc(CN2CCC(=O)Nc3ccccc32)c1O ZINC000811508122 889699587 /nfs/dbraw/zinc/69/95/87/889699587.db2.gz AYGUOPYIOSSPHK-UHFFFAOYSA-N 0 0 377.238 3.512 20 10 GHCDRN CC(C)(C)c1ccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000869130074 889779696 /nfs/dbraw/zinc/77/96/96/889779696.db2.gz VIMYYGGDQHJRGW-UHFFFAOYSA-N 0 0 385.508 3.538 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H](CF)c1ccc(F)cc1 ZINC000869145098 889786460 /nfs/dbraw/zinc/78/64/60/889786460.db2.gz ZTMIMSYSGGOCET-FQEVSTJZSA-N 0 0 389.446 3.515 20 10 GHCDRN Cc1cc(C(=O)NCCc2cn[nH]c2)c(C)n1-c1ccccc1Br ZINC000811612492 889810384 /nfs/dbraw/zinc/81/03/84/889810384.db2.gz BSHWQSMZPYLDSB-UHFFFAOYSA-N 0 0 387.281 3.552 20 10 GHCDRN CON(C)C(=O)c1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000811840094 890026161 /nfs/dbraw/zinc/02/61/61/890026161.db2.gz NDPZVIIXBAETEO-UHFFFAOYSA-N 0 0 398.463 3.831 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CCC(F)(F)[C@H](C)C3)cc2F)C[C@@H](C)O1 ZINC000811864555 890060475 /nfs/dbraw/zinc/06/04/75/890060475.db2.gz CUTVBBZWNCLETM-RBSFLKMASA-N 0 0 399.457 3.626 20 10 GHCDRN CN(C)c1cccnc1CNC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000811869594 890065223 /nfs/dbraw/zinc/06/52/23/890065223.db2.gz SDLXQYKNYCYDRG-UHFFFAOYSA-N 0 0 395.551 3.916 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3oc(C(F)F)cc3C)CC2)c(OC)c1 ZINC000870166150 890238342 /nfs/dbraw/zinc/23/83/42/890238342.db2.gz INEFFSYIUDPYCQ-UHFFFAOYSA-N 0 0 380.391 3.505 20 10 GHCDRN NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(F)c4ccccc34)c2)CC1 ZINC000795117835 890332286 /nfs/dbraw/zinc/33/22/86/890332286.db2.gz WOXTTYONXRDDRQ-UHFFFAOYSA-N 0 0 391.446 3.933 20 10 GHCDRN CN(Cc1ccc(F)cc1)C(=O)CN(Cc1ccco1)Cc1ccccc1O ZINC000123328625 890521561 /nfs/dbraw/zinc/52/15/61/890521561.db2.gz SXVRSKVZIYVPLO-UHFFFAOYSA-N 0 0 382.435 3.785 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc(CCc2ccco2)n1C[C@H]1CCCCO1 ZINC000812439911 890630834 /nfs/dbraw/zinc/63/08/34/890630834.db2.gz TYHROKULVZDBPD-LJQANCHMSA-N 0 0 396.491 3.567 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(N2CCCC2=O)ccc1Cl ZINC000126699643 890653673 /nfs/dbraw/zinc/65/36/73/890653673.db2.gz ZBRUIEHNNGSMHN-UHFFFAOYSA-N 0 0 399.878 3.572 20 10 GHCDRN CCC1(C(=O)N2Cc3cccc(O)c3C2)CCN(C(=O)c2ccccc2)CC1 ZINC000871205425 890693943 /nfs/dbraw/zinc/69/39/43/890693943.db2.gz ZZMRQTNHTGHAGE-UHFFFAOYSA-N 0 0 378.472 3.567 20 10 GHCDRN Cc1ccc(C(=O)OCc2nc3ccc(Br)cc3o2)c(O)c1O ZINC000812581467 890769825 /nfs/dbraw/zinc/76/98/25/890769825.db2.gz DLPUATAUFSACID-UHFFFAOYSA-N 0 0 378.178 3.667 20 10 GHCDRN COCC1(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCCCC1 ZINC000812613284 890801303 /nfs/dbraw/zinc/80/13/03/890801303.db2.gz AJQBBGRQOATYAU-IBGZPJMESA-N 0 0 390.524 3.680 20 10 GHCDRN Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000747814570 890929287 /nfs/dbraw/zinc/92/92/87/890929287.db2.gz BZVCUADFZQEUAL-IBGZPJMESA-N 0 0 391.471 3.572 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Cc3csc(-c4cccs4)n3)CC2)cc1 ZINC000123701876 890929817 /nfs/dbraw/zinc/92/98/17/890929817.db2.gz OVBKMBYGJFBHHX-UHFFFAOYSA-N 0 0 399.541 3.772 20 10 GHCDRN [O-]c1c(Br)cccc1C[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000812772340 890947892 /nfs/dbraw/zinc/94/78/92/890947892.db2.gz KYIRZACTHOZKIN-CYBMUJFWSA-N 0 0 379.273 3.910 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCN(c3ccccc3F)C2)cc1 ZINC000812876999 891058036 /nfs/dbraw/zinc/05/80/36/891058036.db2.gz QINQENOGGDSUEQ-IBGZPJMESA-N 0 0 398.526 3.998 20 10 GHCDRN COc1ccc(C[NH2+][C@@H](CCC(=O)[O-])c2ccccc2)cc1Cn1cccn1 ZINC000871878943 891070331 /nfs/dbraw/zinc/07/03/31/891070331.db2.gz WRCSAMVBCQKOPJ-FQEVSTJZSA-N 0 0 379.460 3.636 20 10 GHCDRN CSCc1cccnc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000812916692 891100614 /nfs/dbraw/zinc/10/06/14/891100614.db2.gz YOEAJVVHPLJTCG-UHFFFAOYSA-N 0 0 388.448 3.972 20 10 GHCDRN COc1ccc(OC)c(N2C(=O)/C(=C\c3cnn4ccccc34)SC2=S)c1 ZINC000729688138 891132058 /nfs/dbraw/zinc/13/20/58/891132058.db2.gz WTCXHBFYCNWWCC-RQZCQDPDSA-N 0 0 397.481 3.757 20 10 GHCDRN COc1c(Br)c([N+](=O)[O-])c(N(C)CCC(C)C)cc1[N+](=O)[O-] ZINC000917095070 891152437 /nfs/dbraw/zinc/15/24/37/891152437.db2.gz YLNQAYAEUKSAKK-UHFFFAOYSA-N 0 0 376.207 3.756 20 10 GHCDRN CN1CCCc2cc(CNC(=O)C(=O)Nc3cccc(C4CCC4)c3)ccc21 ZINC000812962407 891162042 /nfs/dbraw/zinc/16/20/42/891162042.db2.gz BVNJKIAVEQDJGL-UHFFFAOYSA-N 0 0 377.488 3.591 20 10 GHCDRN COc1ccc(CNC(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)c(O)c1 ZINC000812969293 891170756 /nfs/dbraw/zinc/17/07/56/891170756.db2.gz PQPZFLJBWOPLDY-UHFFFAOYSA-N 0 0 392.459 3.922 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NS(=O)(=O)c1cccnc1Cl ZINC001184914589 913533696 /nfs/dbraw/zinc/53/36/96/913533696.db2.gz UTMBLBWCEGPUBK-MRXNPFEDSA-N 0 0 380.897 3.659 20 10 GHCDRN CC[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1nccs1 ZINC000124137081 891280252 /nfs/dbraw/zinc/28/02/52/891280252.db2.gz KVZZCDQZZKWCKP-MRXNPFEDSA-N 0 0 376.551 3.647 20 10 GHCDRN CC[C@@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287809422 913546228 /nfs/dbraw/zinc/54/62/28/913546228.db2.gz UPHXWEIJJINXCF-MRXNPFEDSA-N 0 0 383.275 3.804 20 10 GHCDRN CCC[C@@]1(COC)CCCN1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000774797890 913548137 /nfs/dbraw/zinc/54/81/37/913548137.db2.gz WFPRLVGEGWUSLB-GCJKJVERSA-N 0 0 389.540 3.575 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(C(F)(F)F)c(C)c2)c1 ZINC000174837659 891466496 /nfs/dbraw/zinc/46/64/96/891466496.db2.gz DBDLHSYMEKWVRH-NSHDSACASA-N 0 0 396.365 3.544 20 10 GHCDRN O=C(NCc1ccccc1F)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000774802104 913564020 /nfs/dbraw/zinc/56/40/20/913564020.db2.gz IZAFGDPBEJGZEI-UHFFFAOYSA-N 0 0 384.451 3.509 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NCc3cccc4ncccc34)CC2)cc1 ZINC000873200349 891520773 /nfs/dbraw/zinc/52/07/73/891520773.db2.gz FAYWXMFUKMHOSR-UHFFFAOYSA-N 0 0 390.487 3.712 20 10 GHCDRN C[C@@H](NC(=O)N(C)[C@@H](C)c1cccc(O)c1)c1ccc(N2CCOCC2)cc1 ZINC000067634879 891571680 /nfs/dbraw/zinc/57/16/80/891571680.db2.gz HDVASNSTFDJYAV-SJORKVTESA-N 0 0 383.492 3.692 20 10 GHCDRN Cc1cc(C(=O)COC(=O)C=Cc2cnn(C)c2)c(C)n1-c1ccc(C)c(C)c1 ZINC000917238507 891635920 /nfs/dbraw/zinc/63/59/20/891635920.db2.gz JPYXMPPMYJWASF-CLFYSBASSA-N 0 0 391.471 3.884 20 10 GHCDRN Cc1cc(C(=O)CSc2ncc(C)cn2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000917248876 891706689 /nfs/dbraw/zinc/70/66/89/891706689.db2.gz MJPNDMSFFGYZLU-UHFFFAOYSA-N 0 0 381.457 3.896 20 10 GHCDRN Cc1ccc(-n2ccnc2SCC(=O)N(C)Cc2ccccc2O)cc1C ZINC000917310953 891781723 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Cc1sc2ncnc(NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)c2c1C ZINC000917391548 891919115 /nfs/dbraw/zinc/91/91/15/891919115.db2.gz ZPCMCSHCINEROE-MRXNPFEDSA-N 0 0 395.532 3.622 20 10 GHCDRN CN(Cc1ccccc1O)S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000154389257 891950301 /nfs/dbraw/zinc/95/03/01/891950301.db2.gz QJSBSMAWCSLODR-UHFFFAOYSA-N 0 0 390.686 3.629 20 10 GHCDRN O=C(Cc1cccc2ncccc12)NCc1ccc(N2CCSCC2)cc1 ZINC000874081760 891982474 /nfs/dbraw/zinc/98/24/74/891982474.db2.gz LUWOZILKEHVVLN-UHFFFAOYSA-N 0 0 377.513 3.647 20 10 GHCDRN CCc1nc(NC(=O)C(=O)N[C@H](C)c2ccccc2O)sc1C(C)(C)C ZINC000874192344 892028821 /nfs/dbraw/zinc/02/88/21/892028821.db2.gz USWJPBMXCFRUEO-LLVKDONJSA-N 0 0 375.494 3.525 20 10 GHCDRN C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)[C@@H]1OCCc2sccc21 ZINC000813866505 892035919 /nfs/dbraw/zinc/03/59/19/892035919.db2.gz RJGBTJYDWPVFBB-XCLFUZPHSA-N 0 0 386.517 3.834 20 10 GHCDRN C[C@@H]1CN(c2ccc(NCc3ccc(N4CCOCC4)c(F)c3)cc2)C[C@H](C)O1 ZINC000124960813 892104421 /nfs/dbraw/zinc/10/44/21/892104421.db2.gz 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GHCDRN COc1cccc2c1[C@H](C(=O)NCc1ccc(N3CCSCC3)cc1)CC2 ZINC000814319944 892519409 /nfs/dbraw/zinc/51/94/09/892519409.db2.gz SQYSPEMITDHMCQ-LJQANCHMSA-N 0 0 382.529 3.595 20 10 GHCDRN Cc1cc(F)c(CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1F ZINC000825776824 892523963 /nfs/dbraw/zinc/52/39/63/892523963.db2.gz NEFSXJBVBWKEPN-KRWDZBQOSA-N 0 0 375.415 3.729 20 10 GHCDRN Cc1cc(CNC(=O)NCc2nccc(C(F)F)n2)c(C)n1-c1ccccc1 ZINC000875586318 892703815 /nfs/dbraw/zinc/70/38/15/892703815.db2.gz OGSYXFSUYJWIRJ-UHFFFAOYSA-N 0 0 385.418 3.821 20 10 GHCDRN C[C@@H](NC(=O)N[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)c1ccccc1O ZINC000875613685 892716476 /nfs/dbraw/zinc/71/64/76/892716476.db2.gz NNFSKQINDVKFBI-RHSMWYFYSA-N 0 0 389.496 3.542 20 10 GHCDRN CN(Cc1nc(C(F)(F)F)cs1)C(=O)NCCCSc1nccs1 ZINC000154562245 892767745 /nfs/dbraw/zinc/76/77/45/892767745.db2.gz JPVVTXXMZDMVNR-UHFFFAOYSA-N 0 0 396.485 3.942 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCC[C@H]2CCCOC2)cc1 ZINC000875775696 892803146 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ARLWMQHDDCBANY-UHFFFAOYSA-N 0 0 383.492 3.529 20 10 GHCDRN Cc1cc(C(=O)N(C)c2ccc(N)cc2)cc(C)c1OCC(=O)N1CCCCC1 ZINC000877077604 893470432 /nfs/dbraw/zinc/47/04/32/893470432.db2.gz OKTLPZZRLDHUIW-UHFFFAOYSA-N 0 0 395.503 3.554 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCC(OC[C@H]2CCCO2)CC1 ZINC000815131725 893505305 /nfs/dbraw/zinc/50/53/05/893505305.db2.gz KNAJQRZGFHLOKS-KITAHSCOSA-N 0 0 388.552 3.856 20 10 GHCDRN O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000918374673 893564157 /nfs/dbraw/zinc/56/41/57/893564157.db2.gz UPMCKFOZKGBBGG-UHFFFAOYSA-N 0 0 399.878 3.556 20 10 GHCDRN Cc1cc(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1 ZINC000825959570 893570394 /nfs/dbraw/zinc/57/03/94/893570394.db2.gz BKNMNYZDPUKXAQ-QAQDUYKDSA-N 0 0 398.507 3.522 20 10 GHCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H](F)Cc2ccccc2)cc1 ZINC000778251147 893694778 /nfs/dbraw/zinc/69/47/78/893694778.db2.gz AEUYULJCOFRTJK-YADHBBJMSA-N 0 0 384.495 3.841 20 10 GHCDRN 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Cc1c(NCc2ccc3ccccc3c2O)cccc1N1C(=O)N[C@H](C)C1=O ZINC000816613290 894974970 /nfs/dbraw/zinc/97/49/70/894974970.db2.gz PHHCQPZITXMVLD-CQSZACIVSA-N 0 0 375.428 3.911 20 10 GHCDRN COc1c(O)c(CN2CCCc3c(OC(F)F)cccc32)ccc1[N+](=O)[O-] ZINC000816664137 895008106 /nfs/dbraw/zinc/00/81/06/895008106.db2.gz WDOJCFXCYTWRQU-UHFFFAOYSA-N 0 0 380.347 3.863 20 10 GHCDRN CCCNC(=O)c1cccc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)c1 ZINC000127842571 895029427 /nfs/dbraw/zinc/02/94/27/895029427.db2.gz CJRMXCBFUPETKX-UHFFFAOYSA-N 0 0 390.487 3.559 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(n3cc(N(C)C)cn3)CC2)cc1 ZINC000816772482 895044789 /nfs/dbraw/zinc/04/47/89/895044789.db2.gz AKURXBHLCIBRRJ-UHFFFAOYSA-N 0 0 391.519 3.834 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1nc(Cl)sc1Cl ZINC000816825402 895116382 /nfs/dbraw/zinc/11/63/82/895116382.db2.gz BZCRCAQFGBDVBS-UHFFFAOYSA-N 0 0 386.304 3.559 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCO[C@H](c3ccccc3)O2)cc1F ZINC000816921891 895182854 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Cn1cc(NC(=O)NCc2ccc3c(c2)CCCN3C)c(-c2ccccc2)n1 ZINC000779628320 907978804 /nfs/dbraw/zinc/97/88/04/907978804.db2.gz SMAXRGYISQZHJS-UHFFFAOYSA-N 0 0 375.476 3.791 20 10 GHCDRN COc1c(Cl)cc(N(C)S(=O)(=O)CCc2ccc(N)cc2)cc1Cl ZINC001176309841 908050229 /nfs/dbraw/zinc/05/02/29/908050229.db2.gz ZBTSSMRLCWYMRT-UHFFFAOYSA-N 0 0 389.304 3.593 20 10 GHCDRN O=C(/C=C\c1cncc(O)c1)N(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000779664930 908093582 /nfs/dbraw/zinc/09/35/82/908093582.db2.gz MDULZEGOHPBSDT-WAPJZHGLSA-N 0 0 392.386 3.902 20 10 GHCDRN O=C1c2ccccc2C(=O)c2cc(Nc3cnn(Cc4cccnc4)c3)ccc21 ZINC001176456091 908118097 /nfs/dbraw/zinc/11/80/97/908118097.db2.gz ZCWTUAVZYUYBLL-UHFFFAOYSA-N 0 0 380.407 3.845 20 10 GHCDRN CCCCOc1ccc(N(C)S(=O)(=O)Cc2ccc(N)cc2)c(F)c1F ZINC001176520579 908153160 /nfs/dbraw/zinc/15/31/60/908153160.db2.gz WFLZQXUSNKUFEY-UHFFFAOYSA-N 0 0 384.448 3.692 20 10 GHCDRN C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)NCc1cccc(O)c1O ZINC001176564900 908179483 /nfs/dbraw/zinc/17/94/83/908179483.db2.gz 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O=C(NCc1cccc(Br)c1O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000297440369 919332112 /nfs/dbraw/zinc/33/21/12/919332112.db2.gz PRKMKDZEMNOESN-CQSZACIVSA-N 0 0 391.265 3.980 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cc(C)ccn1 ZINC000297534421 919415234 /nfs/dbraw/zinc/41/52/34/919415234.db2.gz QZTGDYBXTTZGLQ-UHFFFAOYSA-N 0 0 378.270 3.590 20 10 GHCDRN COc1ccncc1CNC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000297547269 919427058 /nfs/dbraw/zinc/42/70/58/919427058.db2.gz ZJHSLZJORILHGB-UHFFFAOYSA-N 0 0 394.475 3.661 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000115279600 919445991 /nfs/dbraw/zinc/44/59/91/919445991.db2.gz DWSBORGJPFYQMN-UHFFFAOYSA-N 0 0 392.503 3.735 20 10 GHCDRN COc1ccc(Br)c(C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000115282343 919446516 /nfs/dbraw/zinc/44/65/16/919446516.db2.gz PRODKBSSNGENRO-UHFFFAOYSA-N 0 0 377.282 3.762 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccccc1I ZINC000115281966 919447875 /nfs/dbraw/zinc/44/78/75/919447875.db2.gz CNNNIWCTFZAOSB-UHFFFAOYSA-N 0 0 394.256 3.596 20 10 GHCDRN CCOc1ccc(CCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000145749179 919448279 /nfs/dbraw/zinc/44/82/79/919448279.db2.gz LFMQLWJKVIXCLK-SFHVURJKSA-N 0 0 382.504 3.732 20 10 GHCDRN COc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc12 ZINC000117528402 919543368 /nfs/dbraw/zinc/54/33/68/919543368.db2.gz CRPXWQVUUPDFKH-UHFFFAOYSA-N 0 0 394.446 3.754 20 10 GHCDRN Fc1ccc(Br)c(F)c1CNCc1ccc(N2CCOCC2)cc1 ZINC000800225850 919738649 /nfs/dbraw/zinc/73/86/49/919738649.db2.gz YAGOGLHTJKFDKF-UHFFFAOYSA-N 0 0 397.263 3.854 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000900025306 919757363 /nfs/dbraw/zinc/75/73/63/919757363.db2.gz CHRRFESEWTYSHL-MSOLQXFVSA-N 0 0 389.540 3.795 20 10 GHCDRN Cc1c(NCc2c(O)ccc(Cl)c2F)cccc1N1C(=O)CCNC1=O ZINC000800293280 919866865 /nfs/dbraw/zinc/86/68/65/919866865.db2.gz ALTCKSRKAIGPLE-UHFFFAOYSA-N 0 0 377.803 3.552 20 10 GHCDRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)Cc1cc(F)ccc1O ZINC000800533232 920247552 /nfs/dbraw/zinc/24/75/52/920247552.db2.gz LHTVHNJSDYTSPY-UHFFFAOYSA-N 0 0 385.266 3.976 20 10 GHCDRN Cc1cccc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccncc2)c1O ZINC000800540599 920260297 /nfs/dbraw/zinc/26/02/97/920260297.db2.gz KQDCLWMKWIRHDF-LJQANCHMSA-N 0 0 383.492 3.890 20 10 GHCDRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc(O)c1O ZINC000800564193 920273972 /nfs/dbraw/zinc/27/39/72/920273972.db2.gz CIIIHKZTIHFQGE-UHFFFAOYSA-N 0 0 375.384 3.902 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)c3ccnc4[nH]cnc43)cc2Cl)C1 ZINC000800571626 920282206 /nfs/dbraw/zinc/28/22/06/920282206.db2.gz LNGBLAORXWEDSN-ZDUSSCGKSA-N 0 0 383.883 3.778 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCOc2c(Br)cccc21 ZINC000800576370 920288493 /nfs/dbraw/zinc/28/84/93/920288493.db2.gz JAVRUHMLJNECFR-DYLGSBMWSA-N 0 0 390.233 3.514 20 10 GHCDRN CCCN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000800630168 920324434 /nfs/dbraw/zinc/32/44/34/920324434.db2.gz WWGQZXLRUIBEAH-DMIOIOJGSA-N 0 0 382.460 3.767 20 10 GHCDRN C[C@H](O)[C@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1 ZINC000800719054 920392824 /nfs/dbraw/zinc/39/28/24/920392824.db2.gz GCPYXICGRJPMOM-RYRKJORJSA-N 0 0 393.959 3.879 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@H]3CC[C@H](O)C3)cc2Cl)C1 ZINC000800719930 920394469 /nfs/dbraw/zinc/39/44/69/920394469.db2.gz PNSQQEFLSWAUNA-VYDXJSESSA-N 0 0 379.932 3.537 20 10 GHCDRN Cn1cc(-c2ccc(/C=C3\SC(=S)N(Cc4ccon4)C3=O)s2)cn1 ZINC000800793227 920469302 /nfs/dbraw/zinc/46/93/02/920469302.db2.gz NUWVVBVUWKNAFU-NSIKDUERSA-N 0 0 388.499 3.538 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)NCCCSc2nccs2)C1 ZINC000900681927 920512262 /nfs/dbraw/zinc/51/22/62/920512262.db2.gz CBSAVDPFBGKPOY-UONOGXRCSA-N 0 0 399.582 3.825 20 10 GHCDRN Cn1cc(Oc2ccccc2C(=O)NCc2ccc3c(c2)CCCN3C)cn1 ZINC000800870446 920550920 /nfs/dbraw/zinc/55/09/20/920550920.db2.gz NRPPWYGEEWRPAP-UHFFFAOYSA-N 0 0 376.460 3.525 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000802106552 921831987 /nfs/dbraw/zinc/83/19/87/921831987.db2.gz KFQFAWFARODPOS-IBGZPJMESA-N 0 0 397.519 3.991 20 10 GHCDRN Cc1cc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)c(C)n1-c1ccccc1C ZINC000802241826 921945216 /nfs/dbraw/zinc/94/52/16/921945216.db2.gz BKIUMRRNTFJFIV-KNQAVFIVSA-N 0 0 396.531 3.700 20 10 GHCDRN c1cc(N2CCOCC2)ccc1CN1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000367721109 922282010 /nfs/dbraw/zinc/28/20/10/922282010.db2.gz NIVDRMONZSBJTE-FQEVSTJZSA-N 0 0 382.508 3.901 20 10 GHCDRN COc1c([O-])c(C[NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)ccc1[N+](=O)[O-] ZINC000802655813 922315514 /nfs/dbraw/zinc/31/55/14/922315514.db2.gz DZPUPFJDQUINES-LJQANCHMSA-N 0 0 399.491 3.699 20 10 GHCDRN CCN(CC)c1ccc(CN(C)c2nnc(C(C)C)n2C[C@H]2CCOC2)cc1 ZINC000802762123 922385813 /nfs/dbraw/zinc/38/58/13/922385813.db2.gz ZATVRBHCMGUENG-LJQANCHMSA-N 0 0 385.556 3.921 20 10 GHCDRN O=S1(=O)C[C@H](NCc2ccc(OCc3ccccc3)cc2O)c2ccccc21 ZINC000368357886 922618106 /nfs/dbraw/zinc/61/81/06/922618106.db2.gz OOGMGLLDXNUSIR-FQEVSTJZSA-N 0 0 395.480 3.589 20 10 GHCDRN Cc1cc(-c2nc([C@@H](C)[C@@H]3CCCO3)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000903812091 923309469 /nfs/dbraw/zinc/30/94/69/923309469.db2.gz HGVIIPVTDMVRHG-BBRMVZONSA-N 0 0 383.473 3.544 20 10 GHCDRN Cc1cc(C(=O)N2CCC(O[C@@H]3CCOC3)CC2)c(C)n1-c1cccc(C)c1 ZINC000748509795 923699485 /nfs/dbraw/zinc/69/94/85/923699485.db2.gz DSGUSYFSGVINHO-OAQYLSRUSA-N 0 0 382.504 3.813 20 10 GHCDRN C[C@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@H]1CCCOC1 ZINC000780219210 923886863 /nfs/dbraw/zinc/88/68/63/923886863.db2.gz TWYHQHMMMXCFDD-HOTGVXAUSA-N 0 0 380.448 3.972 20 10 GHCDRN C[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1CCCOC1 ZINC000780219215 923887424 /nfs/dbraw/zinc/88/74/24/923887424.db2.gz TWYHQHMMMXCFDD-HZPDHXFCSA-N 0 0 380.448 3.972 20 10 GHCDRN C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000748959900 923955506 /nfs/dbraw/zinc/95/55/06/923955506.db2.gz MVDGRJPEEKOMFT-LAUBAEHRSA-N 0 0 387.568 3.909 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)C3(C(F)(F)F)CCOCC3)cc2)CC1 ZINC000826861985 924301913 /nfs/dbraw/zinc/30/19/13/924301913.db2.gz QFTIQXAYIHMUJD-UHFFFAOYSA-N 0 0 384.442 3.898 20 10 GHCDRN CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3cnccn3)c2C)c1 ZINC000010735412 924353298 /nfs/dbraw/zinc/35/32/98/924353298.db2.gz IUMREJCPFIXBNU-UHFFFAOYSA-N 0 0 381.457 3.646 20 10 GHCDRN Cc1nnc(CN(C)Cc2ccc(N3CCCCC3)c(Br)c2)o1 ZINC000827039493 924629344 /nfs/dbraw/zinc/62/93/44/924629344.db2.gz WMHJXPPYIFFMKM-UHFFFAOYSA-N 0 0 379.302 3.763 20 10 GHCDRN COc1ccc(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)c2ccccc12 ZINC000409510843 924718186 /nfs/dbraw/zinc/71/81/86/924718186.db2.gz NMOFWCIRGTXOEH-UHFFFAOYSA-N 0 0 398.484 3.502 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)c1cccc(CNc2ccncn2)c1 ZINC001137346525 924898245 /nfs/dbraw/zinc/89/82/45/924898245.db2.gz ATKRRLVGWQGVHK-UHFFFAOYSA-N 0 0 376.460 3.847 20 10 GHCDRN COC(=O)[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1Br ZINC000827158375 924910866 /nfs/dbraw/zinc/91/08/66/924910866.db2.gz PTEWSHRZINPVGD-KRWDZBQOSA-N 0 0 395.272 3.658 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)NC3(c4ccccc4C)CC3)C2)cc1 ZINC000827194307 924996326 /nfs/dbraw/zinc/99/63/26/924996326.db2.gz IYNRPBRVOGNTGY-GOSISDBHSA-N 0 0 379.504 3.818 20 10 GHCDRN COc1ccc(-c2ccnc(N(C)Cc3ccc(N4CCOCC4)cc3)n2)cc1 ZINC000827328989 925271233 /nfs/dbraw/zinc/27/12/33/925271233.db2.gz VVKIRJCYDZMPQF-UHFFFAOYSA-N 0 0 390.487 3.625 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3cccc([C@@H]4CCOC4)c3)CC2)cc1 ZINC000372348305 925352694 /nfs/dbraw/zinc/35/26/94/925352694.db2.gz VVAKHFIAGXXZDQ-HXUWFJFHSA-N 0 0 380.488 3.552 20 10 GHCDRN Cc1cc(C(=O)NC[C@H](O)COc2ccccc2)c(C)n1-c1cc(C)cc(C)c1 ZINC001137400554 925387101 /nfs/dbraw/zinc/38/71/01/925387101.db2.gz YKDHOILKMRMOJK-NRFANRHFSA-N 0 0 392.499 3.881 20 10 GHCDRN COc1ccc(N2CCN(C(=O)[C@H](C)Cn3ccc4ccccc43)CC2)cc1F ZINC001137422407 925614489 /nfs/dbraw/zinc/61/44/89/925614489.db2.gz ADCGVOCNGFQAHV-QGZVFWFLSA-N 0 0 395.478 3.774 20 10 GHCDRN Cn1cc(C(=O)N2CCN(C3CC3)c3cc(Cl)ccc32)c(-c2cccnc2)n1 ZINC000681620945 925860356 /nfs/dbraw/zinc/86/03/56/925860356.db2.gz MLUPFMIJKXLEPI-UHFFFAOYSA-N 0 0 393.878 3.765 20 10 GHCDRN COc1cc(Br)c(CN2CCc3cccc(O)c3C2)c(OC)c1 ZINC001137461452 925915922 /nfs/dbraw/zinc/91/59/22/925915922.db2.gz QIWMVNPFFXQYLA-UHFFFAOYSA-N 0 0 378.266 3.730 20 10 GHCDRN CC[C@H](Cc1ccccc1Br)NC(=O)Cc1ccc(O)c(O)c1 ZINC001137475083 925943171 /nfs/dbraw/zinc/94/31/71/925943171.db2.gz OQYCBYTVLPEDDG-CQSZACIVSA-N 0 0 378.266 3.540 20 10 GHCDRN Cc1cc(C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)c(C)n1-c1cccc(Cl)c1 ZINC001137507323 926246257 /nfs/dbraw/zinc/24/62/57/926246257.db2.gz NWXBCJRQEWJRLW-MOPGFXCFSA-N 0 0 385.895 3.631 20 10 GHCDRN COc1ccc(-c2noc(CCCC(=O)N[C@H](C)c3ccccc3O)n2)cc1 ZINC000827923513 926290987 /nfs/dbraw/zinc/29/09/87/926290987.db2.gz SSXJPVAOABYCHZ-CQSZACIVSA-N 0 0 381.432 3.651 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCCOc2ccccc21 ZINC000804064157 926392832 /nfs/dbraw/zinc/39/28/32/926392832.db2.gz DCVRIKGQUUAVNF-IBGZPJMESA-N 0 0 396.487 3.551 20 10 GHCDRN Cc1cc(C(=O)NCCN2C(=O)Cc3ccccc32)c(C)n1-c1cccc(C)c1 ZINC000725742491 926422642 /nfs/dbraw/zinc/42/26/42/926422642.db2.gz JMDIXWLDTYBARA-UHFFFAOYSA-N 0 0 387.483 3.722 20 10 GHCDRN O=C(NC[C@@H]1COc2ccccc2C1)N(Cc1ccco1)Cc1ccccc1O ZINC000726086676 926552491 /nfs/dbraw/zinc/55/24/91/926552491.db2.gz GXXWGNTYNCIPFJ-QGZVFWFLSA-N 0 0 392.455 3.948 20 10 GHCDRN Cc1ccn2cc(CNC(=O)N(Cc3ccco3)Cc3ccccc3O)nc2c1 ZINC000726237392 926603856 /nfs/dbraw/zinc/60/38/56/926603856.db2.gz PRSHYFUBEQKWML-UHFFFAOYSA-N 0 0 390.443 3.853 20 10 GHCDRN Oc1ccc(CCNC(=S)NCCc2ccc(Cl)cc2Cl)cc1O ZINC000726433440 926661745 /nfs/dbraw/zinc/66/17/45/926661745.db2.gz HZXJQOHVUOHWQN-UHFFFAOYSA-N 0 0 385.316 3.654 20 10 GHCDRN O=C(NCCc1cccs1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000726609963 926762354 /nfs/dbraw/zinc/76/23/54/926762354.db2.gz FEGOAYBMVHPCFR-UHFFFAOYSA-N 0 0 395.475 3.860 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N[C@@H]3CCc4cc(C)ccc43)CC2)cc1 ZINC000726614632 926766151 /nfs/dbraw/zinc/76/61/51/926766151.db2.gz ZMUWWTMRWIWNEF-JOCHJYFZSA-N 0 0 379.504 3.959 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N(Cc3ccc(C)o3)C3CC3)CC2)cc1 ZINC000726715335 926818586 /nfs/dbraw/zinc/81/85/86/926818586.db2.gz NKOOYRYVDPBWSU-UHFFFAOYSA-N 0 0 383.492 3.940 20 10 GHCDRN COc1ccc(COC(=O)c2ccc(C)c(O)c2O)c(Br)c1OC ZINC000727004755 926982285 /nfs/dbraw/zinc/98/22/85/926982285.db2.gz SJLBRZLAJXHOMB-UHFFFAOYSA-N 0 0 397.221 3.543 20 10 GHCDRN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(C)c(O)c1O ZINC000727005140 926983983 /nfs/dbraw/zinc/98/39/83/926983983.db2.gz HUBOECAADNPTPC-LLVKDONJSA-N 0 0 393.823 3.561 20 10 GHCDRN Cc1cc(CCNC(=O)NC[C@H](C)Cn2ccnc2C)c(C)n1-c1ccccc1 ZINC000749195525 926995555 /nfs/dbraw/zinc/99/55/55/926995555.db2.gz FIRJKRIGCPNTJH-KRWDZBQOSA-N 0 0 393.535 3.777 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCn4cncc4C3)cc2Cl)C1 ZINC000374373975 927070236 /nfs/dbraw/zinc/07/02/36/927070236.db2.gz UTYDGYXRALDBFZ-WBVHZDCISA-N 0 0 386.927 3.652 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1nnc2n1CCCCC2 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CC[C@@H]([NH2+]C[C@@H](c1ccc(OC)cc1)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000796667949 932023934 /nfs/dbraw/zinc/02/39/34/932023934.db2.gz XNWDXQUIMCQOSA-RTWAWAEBSA-N 0 0 388.483 3.654 20 10 GHCDRN COc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(C)cc1C ZINC000796712694 932039836 /nfs/dbraw/zinc/03/98/36/932039836.db2.gz OJFBWUNNEXSYSU-UHFFFAOYSA-N 0 0 395.503 3.508 20 10 GHCDRN Nc1ccc(NC(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)cc1 ZINC000926145872 932063008 /nfs/dbraw/zinc/06/30/08/932063008.db2.gz WVMOBZNOQOJKDD-CQSZACIVSA-N 0 0 376.258 3.580 20 10 GHCDRN CC[C@H]([NH2+]C[C@H](O)COc1ccccc1Br)c1ccc(F)cc1[O-] ZINC000796832438 932082983 /nfs/dbraw/zinc/08/29/83/932082983.db2.gz PXMORGMRKWSRFH-BBRMVZONSA-N 0 0 398.272 3.774 20 10 GHCDRN C[C@@H]1C[C@@]2(CCO1)CN(Cc1ccc(N(C)C)cc1C(F)(F)F)C[C@H](C)O2 ZINC000797605237 932341052 /nfs/dbraw/zinc/34/10/52/932341052.db2.gz OAPGDWFJIQIIQO-VCBZYWHSSA-N 0 0 386.458 3.930 20 10 GHCDRN COc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(Br)c1 ZINC000797622424 932347605 /nfs/dbraw/zinc/34/76/05/932347605.db2.gz VCSWBJPTQMYMRT-SNVBAGLBSA-N 0 0 395.253 3.622 20 10 GHCDRN COc1ccc(CNC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)c(O)c1 ZINC000797634182 932351421 /nfs/dbraw/zinc/35/14/21/932351421.db2.gz VFSOATLJEOWRNX-UHFFFAOYSA-N 0 0 380.404 3.650 20 10 GHCDRN C[C@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1cc(Br)c(F)cc1[O-] ZINC000926928621 932352903 /nfs/dbraw/zinc/35/29/03/932352903.db2.gz NVOWCPAGFOTNKO-ZETCQYMHSA-N 0 0 396.182 3.897 20 10 GHCDRN Cc1cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cnc1N1CCCC[C@@H]1C ZINC000797643523 932354359 /nfs/dbraw/zinc/35/43/59/932354359.db2.gz XQLNNPFSZJNCKW-HOTGVXAUSA-N 0 0 398.507 3.933 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(F)c(N2CCOC2=O)c1 ZINC000797659842 932358357 /nfs/dbraw/zinc/35/83/57/932358357.db2.gz JUWMAYVISYNFDU-UHFFFAOYSA-N 0 0 399.422 3.688 20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)Nc3cccc4c3CCO4)cc2F)C[C@H](C)O1 ZINC000797672008 932363490 /nfs/dbraw/zinc/36/34/90/932363490.db2.gz WQELZYRAYJIVDE-GJZGRUSLSA-N 0 0 399.466 3.696 20 10 GHCDRN COc1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(OC)c(C)c1OC ZINC000797678774 932365476 /nfs/dbraw/zinc/36/54/76/932365476.db2.gz OKRXLPACGGDFCE-AWEZNQCLSA-N 0 0 387.480 3.970 20 10 GHCDRN COc1cc(NS(=O)(=O)/C=C/c2ccc(Br)cc2)ccc1O ZINC000797820039 932417063 /nfs/dbraw/zinc/41/70/63/932417063.db2.gz CUIKLEXYMHOEEH-CMDGGOBGSA-N 0 0 384.251 3.576 20 10 GHCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000797827272 932420467 /nfs/dbraw/zinc/42/04/67/932420467.db2.gz ZWVKJOAONLIJDW-QMMMGPOBSA-N 0 0 394.251 3.886 20 10 GHCDRN COc1ccc(N2CCN(c3ncc(C)cc3Br)CC2)cc1F ZINC000797830994 932422471 /nfs/dbraw/zinc/42/24/71/932422471.db2.gz QSCHHNVECCUPDV-UHFFFAOYSA-N 0 0 380.261 3.627 20 10 GHCDRN Cc1ccc([C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)[C@H](C)S(C)(=O)=O)cc1 ZINC000798088783 932525320 /nfs/dbraw/zinc/52/53/20/932525320.db2.gz VHFRHKMGZBQGCR-SGTLLEGYSA-N 0 0 385.888 3.757 20 10 GHCDRN CC(C)[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1cnn(C)c1 ZINC000927414467 932553646 /nfs/dbraw/zinc/55/36/46/932553646.db2.gz SJPRLHHDFQLXOL-HXUWFJFHSA-N 0 0 382.464 3.828 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])cc1 ZINC000798277444 932590179 /nfs/dbraw/zinc/59/01/79/932590179.db2.gz GBQOVPSXQPOQIC-UHFFFAOYSA-N 0 0 390.443 3.995 20 10 GHCDRN C[C@@H]1CCC[C@H]1CNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000798367441 932617244 /nfs/dbraw/zinc/61/72/44/932617244.db2.gz CRYDVGHKQUPKBX-CABCVRRESA-N 0 0 399.457 3.777 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NOCc2ccccc2OC)cc1F ZINC000798406910 932634243 /nfs/dbraw/zinc/63/42/43/932634243.db2.gz PYZIUQZPRYVJEP-UHFFFAOYSA-N 0 0 375.444 3.612 20 10 GHCDRN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)NCCCSc2nccs2)C1 ZINC000798437589 932647659 /nfs/dbraw/zinc/64/76/59/932647659.db2.gz KTTWWCXMEFJNOF-FPCVCCKLSA-N 0 0 383.583 3.596 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000798530864 932694339 /nfs/dbraw/zinc/69/43/39/932694339.db2.gz VLVIINIRZGQHFD-XLIONFOSSA-N 0 0 395.503 3.503 20 10 GHCDRN COc1cc(N(C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)cc(OC)c1OC ZINC000798952024 932835846 /nfs/dbraw/zinc/83/58/46/932835846.db2.gz QWBBNWAMJCNCJA-NRFANRHFSA-N 0 0 394.512 3.796 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)c1ccccc1Br ZINC000798989606 932847947 /nfs/dbraw/zinc/84/79/47/932847947.db2.gz BZXJLORMXCZGMI-GFCCVEGCSA-N 0 0 392.293 3.885 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCC(c4ccn(C)n4)CC3)ccc21 ZINC000928211858 932862602 /nfs/dbraw/zinc/86/26/02/932862602.db2.gz NBWFQAPEKVBVGI-UHFFFAOYSA-N 0 0 394.519 3.658 20 10 GHCDRN CCN(CC)c1ccc(/C=C2/SC(=S)N(CCCC(=O)OC)C2=O)cc1 ZINC000799200430 932912126 /nfs/dbraw/zinc/91/21/26/932912126.db2.gz APXGSOQWOUGRCD-DTQAZKPQSA-N 0 0 392.546 3.687 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(N3CCC3=O)cc2)cc1 ZINC000799242534 932932576 /nfs/dbraw/zinc/93/25/76/932932576.db2.gz YYSLFWGYNLTBIV-UHFFFAOYSA-N 0 0 380.492 3.933 20 10 GHCDRN CO[C@H]1CCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)[C@@H](C)C1 ZINC000799344076 932958847 /nfs/dbraw/zinc/95/88/47/932958847.db2.gz ROQWBZPWPWQLPU-KSSFIOAISA-N 0 0 384.476 3.505 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)Oc3ccc4oc(=O)oc4c3)ccc21 ZINC000799416543 932996332 /nfs/dbraw/zinc/99/63/32/932996332.db2.gz JDZXIYJLAKPTFQ-UHFFFAOYSA-N 0 0 381.384 3.823 20 10 GHCDRN C[C@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1cc(Br)c(F)cc1[O-] ZINC000799730385 933101570 /nfs/dbraw/zinc/10/15/70/933101570.db2.gz FBBMMGMQUUQUKC-JSGCOSHPSA-N 0 0 382.273 3.938 20 10 GHCDRN Cc1cc(C(=O)N2CCOC[C@]23CCOC3)c(C)n1-c1ccc(C(C)C)cc1 ZINC000799764611 933110562 /nfs/dbraw/zinc/11/05/62/933110562.db2.gz LDZDSKDXLFFKET-HSZRJFAPSA-N 0 0 382.504 3.849 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)NCC[C@H]3CCOC3)cc2Cl)C1 ZINC000799970277 933194865 /nfs/dbraw/zinc/19/48/65/933194865.db2.gz KBWNWHBUHILDCU-CVEARBPZSA-N 0 0 379.932 3.802 20 10 GHCDRN CO[C@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1 ZINC000799993695 933205379 /nfs/dbraw/zinc/20/53/79/933205379.db2.gz DJZLEIHNSCCYIZ-WBVHZDCISA-N 0 0 379.932 3.897 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1COC2(CCC(C)CC2)O1 ZINC000777758655 933246741 /nfs/dbraw/zinc/24/67/41/933246741.db2.gz OKYGMNIQCBMUIR-LVKMRUPZSA-N 0 0 389.540 3.606 20 10 GHCDRN C[C@H](CCNC(=O)N(C)Cc1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C ZINC001116043645 933302559 /nfs/dbraw/zinc/30/25/59/933302559.db2.gz OVTYHYJZBLRXKF-MRXNPFEDSA-N 0 0 392.544 3.540 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H](c4ccncc4)C3)ccc21 ZINC000560616737 933393755 /nfs/dbraw/zinc/39/37/55/933393755.db2.gz GSILPQAATLBLTI-HXUWFJFHSA-N 0 0 377.488 3.929 20 10 GHCDRN CC(=Cc1ccc(N2CCN(C)CC2)c(F)c1)c1nc(=O)c2ccsc2[nH]1 ZINC001116445218 933563496 /nfs/dbraw/zinc/56/34/96/933563496.db2.gz HWPUGVQCBYEGHB-QBFSEMIESA-N 0 0 384.480 3.848 20 10 GHCDRN COc1ccc([C@H](CO)N(C)C(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 ZINC000777830416 933635851 /nfs/dbraw/zinc/63/58/51/933635851.db2.gz YJBCFNIRHAQUAG-QFIPXVFZSA-N 0 0 378.472 3.908 20 10 GHCDRN O=C(COC(=O)c1ccc(Oc2ccc(Cl)cn2)cc1)c1ccc(O)c(O)c1 ZINC001116830577 933782512 /nfs/dbraw/zinc/78/25/12/933782512.db2.gz ZZEMUYARCVJWIK-UHFFFAOYSA-N 0 0 399.786 3.978 20 10 GHCDRN Cc1ncccc1/C=C/C(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21 ZINC001117798569 934031027 /nfs/dbraw/zinc/03/10/27/934031027.db2.gz XNYIAQNJOHBDHX-FSNWXROXSA-N 0 0 383.879 3.665 20 10 GHCDRN Cc1cc(C(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c(C)n1-c1ccccn1 ZINC001117815116 934040249 /nfs/dbraw/zinc/04/02/49/934040249.db2.gz ITGRRHWJTVWRLB-HUUCEWRRSA-N 0 0 386.496 3.521 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2c[nH]c(C(C)C)n2)c(C)n1-c1ccc(F)cn1 ZINC001117856660 934054099 /nfs/dbraw/zinc/05/40/99/934054099.db2.gz AEECFNAKOGVRCZ-UHFFFAOYSA-N 0 0 384.411 3.514 20 10 GHCDRN COc1ccc2[nH]c3c(c2c1)CCN(Cc1ccc(N2CCC(O)CC2)cc1)C3 ZINC001119517102 934363636 /nfs/dbraw/zinc/36/36/36/934363636.db2.gz OHAMDGOGVSKSEE-UHFFFAOYSA-N 0 0 391.515 3.696 20 10 GHCDRN COC(=O)/C=C\c1ccc(N2CCC([C@H](O)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000931442427 934561253 /nfs/dbraw/zinc/56/12/53/934561253.db2.gz HGCVDIKKUYPOLY-XGEAVTJYSA-N 0 0 396.443 3.731 20 10 GHCDRN COCC[C@H]1CCN(C(=O)c2cn(C)nc2-c2cccnc2)c2ccccc21 ZINC001121306377 934619648 /nfs/dbraw/zinc/61/96/48/934619648.db2.gz HATUAXKFFSFTSW-MRXNPFEDSA-N 0 0 376.460 3.653 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(Cl)ncc1F ZINC000931582683 934628396 /nfs/dbraw/zinc/62/83/96/934628396.db2.gz ZASSCYCKPGHPBF-UHFFFAOYSA-N 0 0 399.800 3.874 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)O[C@@H](C)CCS(C)(=O)=O)c1 ZINC001122721371 934962451 /nfs/dbraw/zinc/96/24/51/934962451.db2.gz SYIQBLOQNNVOAL-AWEZNQCLSA-N 0 0 383.897 3.728 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Nc3ccc4occc(=O)c4c3)CC2)cc1 ZINC001123353239 935168017 /nfs/dbraw/zinc/16/80/17/935168017.db2.gz VUUCGKZFSOMPKW-UHFFFAOYSA-N 0 0 393.443 3.546 20 10 GHCDRN C[C@@H]1CCN(c2cc(C(=O)N(C)Cc3ccc(N4CCCC4)cc3)ccn2)C1 ZINC001124549777 935411975 /nfs/dbraw/zinc/41/19/75/935411975.db2.gz QPAQZNNDFRAAEQ-GOSISDBHSA-N 0 0 378.520 3.800 20 10 GHCDRN Cc1cc(CN2CCc3onc(COc4ccccn4)c3C2)ccc1N(C)C ZINC001139670997 935553178 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CC(C)Oc1ccc([C@H](C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)N(C)C)cc1 ZINC001591777007 975930868 /nfs/dbraw/zinc/93/08/68/975930868.db2.gz WRMXQCBLOQQPBH-QRWLVFNGSA-N 0 0 386.492 3.831 20 10 GHCDRN O=C([O-])c1ccc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000840994614 979292725 /nfs/dbraw/zinc/29/27/25/979292725.db2.gz WECMKQLKVFMBFP-INIZCTEOSA-N 0 0 376.403 3.745 20 10 GHCDRN O=C1/C(=C\c2cccc(-n3cccn3)c2)SC(=S)N1CCc1cccnc1 ZINC000760214945 1014587137 /nfs/dbraw/zinc/58/71/37/1014587137.db2.gz CWUQZQXDXIRKQM-QGOAFFKASA-N 0 0 392.509 3.711 20 10 GHCDRN CC[C@@](C[NH2+]Cc1c(O)cccc1Br)(C(=O)[O-])c1ccccc1 ZINC001595167009 979717384 /nfs/dbraw/zinc/71/73/84/979717384.db2.gz CGVDKNVFYLVVID-SFHVURJKSA-N 0 0 378.266 3.677 20 10 GHCDRN CC[C@@]([NH2+]Cc1cc(Br)cc(C)c1O)(C(=O)[O-])c1ccccc1 ZINC001595298264 980415069 /nfs/dbraw/zinc/41/50/69/980415069.db2.gz FASMEMPNPOTQDD-SFHVURJKSA-N 0 0 378.266 3.943 20 10 GHCDRN O=C(NCc1ccccc1O)[C@@H](c1cccc(Br)c1)N1CCCC1 ZINC001545682086 1014916632 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GHCDRN O=C(c1ccsc1)N1CCC2(C1)CC[NH+](Cc1c([O-])cc(F)cc1F)CC2 ZINC001140581743 1022001672 /nfs/dbraw/zinc/00/16/72/1022001672.db2.gz YURMFJBEEXAWJK-UHFFFAOYSA-N 0 0 392.471 3.860 20 10 GHCDRN Cc1ccc(O)c(CN2[C@H]3C[C@@H]([C@H]2C(F)(F)F)N(C(=O)OC(C)(C)C)C3)c1 ZINC001140619941 1022088919 /nfs/dbraw/zinc/08/89/19/1022088919.db2.gz VSXWKRKFKMWIMX-DZKIICNBSA-N 0 0 386.414 3.825 20 10 GHCDRN CCc1cccc(CN2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3C)CC2)c1O ZINC001204681883 1033030335 /nfs/dbraw/zinc/03/03/35/1033030335.db2.gz MBMFBSVGNSUGHR-IBGZPJMESA-N 0 0 396.531 3.683 20 10 GHCDRN O=[N+]([O-])c1cc(CN2CCO[C@@H](CC(F)(F)F)C2)ccc1N1CCCCC1 ZINC000827785262 1022339077 /nfs/dbraw/zinc/33/90/77/1022339077.db2.gz AQFXETMXPKMAHW-HNNXBMFYSA-N 0 0 387.402 3.738 20 10 GHCDRN O=C(NCCC[C@@H]1CCOC1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000835976454 1022524678 /nfs/dbraw/zinc/52/46/78/1022524678.db2.gz VFOWMAWNLBGDND-MRXNPFEDSA-N 0 0 380.448 3.973 20 10 GHCDRN CCN(CC)c1ccc(CN2CCOC[C@@H]2CCC(=O)OC(C)(C)C)c(O)c1 ZINC001140855727 1022711122 /nfs/dbraw/zinc/71/11/22/1022711122.db2.gz AZHUIENWSZSSEJ-IBGZPJMESA-N 0 0 392.540 3.561 20 10 GHCDRN CCN(CC)c1ccc(CN2CC[C@H](N3CCCCC3)C(F)(F)C2)c(O)c1 ZINC001140857462 1022715317 /nfs/dbraw/zinc/71/53/17/1022715317.db2.gz YTVIGOLQBCYMLG-FQEVSTJZSA-N 0 0 381.511 3.934 20 10 GHCDRN CCOC(=O)c1nc2c(s1)CN(Cc1ccc(N(C)C)cc1Cl)CC2 ZINC001140926086 1022903316 /nfs/dbraw/zinc/90/33/16/1022903316.db2.gz ZALPGXNCBHRWBW-UHFFFAOYSA-N 0 0 379.913 3.598 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)CCCNC(=O)OC(C)(C)C ZINC000836506574 1023045845 /nfs/dbraw/zinc/04/58/45/1023045845.db2.gz CUGULICRSITDMS-MRXNPFEDSA-N 0 0 392.544 3.554 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)NC[C@H]1CCCCC1(F)F ZINC000836523617 1023076782 /nfs/dbraw/zinc/07/67/82/1023076782.db2.gz LDIWADALWHVETP-LLVKDONJSA-N 0 0 377.229 3.779 20 10 GHCDRN COc1ccc(N2CCN(C(=O)N[C@@H]3C[C@@H](C)Oc4ccccc43)CC2)cc1F ZINC000836553756 1023108874 /nfs/dbraw/zinc/10/88/74/1023108874.db2.gz AMIHOMLEMYGVLV-DNVCBOLYSA-N 0 0 399.466 3.578 20 10 GHCDRN CCC[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C(C)(C)C ZINC000836574968 1023134770 /nfs/dbraw/zinc/13/47/70/1023134770.db2.gz BLBJKYYSZVDHJY-HXUWFJFHSA-N 0 0 375.557 3.909 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Cc1ccc2c(c1)COC2 ZINC000755494198 1023271566 /nfs/dbraw/zinc/27/15/66/1023271566.db2.gz SXOBZFPCRXHMLH-UHFFFAOYSA-N 0 0 390.277 3.776 20 10 GHCDRN CC(=O)N(c1ccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)cc1)[C@H]1C[C@H]1C ZINC000836703784 1023277520 /nfs/dbraw/zinc/27/75/20/1023277520.db2.gz JTFKHYPMRZUKAT-SZNDQCEHSA-N 0 0 398.482 3.975 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2nn(CCCOC)cc2C)cc1F ZINC000836713256 1023291162 /nfs/dbraw/zinc/29/11/62/1023291162.db2.gz OWZTYLIFBSNALD-UHFFFAOYSA-N 0 0 391.491 3.535 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(-c2nc(C)no2)nc1 ZINC000836734067 1023323147 /nfs/dbraw/zinc/32/31/47/1023323147.db2.gz FIYDVKRKUJVKNO-UHFFFAOYSA-N 0 0 381.436 3.980 20 10 GHCDRN Cc1ncc(Br)cc1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000836736775 1023325154 /nfs/dbraw/zinc/32/51/54/1023325154.db2.gz OZURTOWANNMABB-UHFFFAOYSA-N 0 0 381.249 3.679 20 10 GHCDRN CCc1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1OC ZINC000836752377 1023340082 /nfs/dbraw/zinc/34/00/82/1023340082.db2.gz KMHLVQBEGVCVJS-MRXNPFEDSA-N 0 0 383.492 3.977 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1CCO[C@H](c2ccnn2C)C1 ZINC000836974572 1023535277 /nfs/dbraw/zinc/53/52/77/1023535277.db2.gz ISBWTDIYQKRNCP-GCJKJVERSA-N 0 0 392.503 3.786 20 10 GHCDRN CNC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])cc1 ZINC000756394383 1023626704 /nfs/dbraw/zinc/62/67/04/1023626704.db2.gz CVWXDGFIGMDGKL-JTQLQIEISA-N 0 0 381.245 3.504 20 10 GHCDRN CNC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])cc1 ZINC000756397997 1023627859 /nfs/dbraw/zinc/62/78/59/1023627859.db2.gz YBAWKBPXSZRHIB-JTQLQIEISA-N 0 0 381.245 3.504 20 10 GHCDRN COCCOc1ccc(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])cn1 ZINC000756433171 1023645704 /nfs/dbraw/zinc/64/57/04/1023645704.db2.gz NVKIBYVSGUCOMM-NSHDSACASA-N 0 0 399.260 3.565 20 10 GHCDRN C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1cc(Br)cc(F)c1[O-] ZINC000756455490 1023660546 /nfs/dbraw/zinc/66/05/46/1023660546.db2.gz DAJGDULGFAWWMW-TZMCWYRMSA-N 0 0 382.273 3.796 20 10 GHCDRN C[C@@H]([NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1)c1cc(F)cc(F)c1[O-] ZINC000756458677 1023662003 /nfs/dbraw/zinc/66/20/03/1023662003.db2.gz JOIMAGKJKUNNSA-LSDHHAIUSA-N 0 0 376.447 3.742 20 10 GHCDRN COCCN1CCC([NH2+][C@H](C)c2cc(Br)cc(Cl)c2[O-])CC1 ZINC000756459692 1023662602 /nfs/dbraw/zinc/66/26/02/1023662602.db2.gz WTOCYZBJJDEJRD-LLVKDONJSA-N 0 0 391.737 3.570 20 10 GHCDRN COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756460751 1023663731 /nfs/dbraw/zinc/66/37/31/1023663731.db2.gz RDJNQAOTLMUWQM-QFYYESIMSA-N 0 0 384.245 3.687 20 10 GHCDRN C[C@H]([NH2+]CCC(=O)Nc1ccccn1)c1cc(Br)cc(Cl)c1[O-] ZINC000756480583 1023678182 /nfs/dbraw/zinc/67/81/82/1023678182.db2.gz SHDFTPKTQOSLQY-JTQLQIEISA-N 0 0 398.688 3.883 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(OC)c(Br)c2)c1 ZINC000756523754 1023696991 /nfs/dbraw/zinc/69/69/91/1023696991.db2.gz FANUSLMHRAWNLT-NSHDSACASA-N 0 0 394.265 3.801 20 10 GHCDRN C[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1cc(Br)c(F)cc1[O-] ZINC000756532236 1023700984 /nfs/dbraw/zinc/70/09/84/1023700984.db2.gz FJLHWAXJOBBFHI-SNVBAGLBSA-N 0 0 391.281 3.859 20 10 GHCDRN C[C@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756536384 1023704143 /nfs/dbraw/zinc/70/41/43/1023704143.db2.gz VGHROVYRHFCOFG-ZDUSSCGKSA-N 0 0 379.457 3.741 20 10 GHCDRN C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1cc(Br)c(F)cc1[O-] ZINC000756545550 1023708766 /nfs/dbraw/zinc/70/87/66/1023708766.db2.gz MSRXMBOZGOUZND-NSHDSACASA-N 0 0 391.244 3.725 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756582071 1023720608 /nfs/dbraw/zinc/72/06/08/1023720608.db2.gz FMCAXODUIHTPAH-TUAOUCFPSA-N 0 0 387.293 3.591 20 10 GHCDRN CC(C)[C@H](CCO)[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000756606889 1023735239 /nfs/dbraw/zinc/73/52/39/1023735239.db2.gz FHSSVFPEMXUIAN-RNCFNFMXSA-N 0 0 395.135 3.975 20 10 GHCDRN C[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1cc(Br)cc(F)c1[O-] ZINC000756637857 1023748714 /nfs/dbraw/zinc/74/87/14/1023748714.db2.gz JUZTUVQHNIRFMH-LLVKDONJSA-N 0 0 387.293 3.736 20 10 GHCDRN C[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1cc(Br)c(F)cc1[O-] ZINC000756639402 1023748861 /nfs/dbraw/zinc/74/88/61/1023748861.db2.gz YHSHHOJLFCCJJX-LLVKDONJSA-N 0 0 387.293 3.736 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(C)cc2OC[C@@H]2CCOC2)c1 ZINC000756644498 1023752115 /nfs/dbraw/zinc/75/21/15/1023752115.db2.gz FGNUTHBSNURIPL-DLBZAZTESA-N 0 0 399.487 3.753 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1cc(Br)cc(F)c1[O-] ZINC000756660443 1023760241 /nfs/dbraw/zinc/76/02/41/1023760241.db2.gz XIWSPWLIIYGZMV-RISCZKNCSA-N 0 0 399.304 3.736 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCc2nc(-c3ccncc3)cs2)c1 ZINC000756704371 1023781010 /nfs/dbraw/zinc/78/10/10/1023781010.db2.gz MPGQSBSEYQSHFO-CQSZACIVSA-N 0 0 397.500 3.981 20 10 GHCDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000756724303 1023789573 /nfs/dbraw/zinc/78/95/73/1023789573.db2.gz RWSKADLAASFYSB-UHFFFAOYSA-N 0 0 389.371 3.565 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCN(c3ccccc3OC)C2)cc1 ZINC000756924690 1023868098 /nfs/dbraw/zinc/86/80/98/1023868098.db2.gz LSZLSCLCJTUNIJ-IBGZPJMESA-N 0 0 396.535 3.620 20 10 GHCDRN CCOC(=O)CN(CCc1ccccc1)Cc1cc(F)c(N(C)C)cc1F ZINC001204922493 1033167990 /nfs/dbraw/zinc/16/79/90/1033167990.db2.gz AIXSQZBCULHALE-UHFFFAOYSA-N 0 0 376.447 3.639 20 10 GHCDRN CCC(=O)c1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)ccc1F ZINC000756938740 1023876152 /nfs/dbraw/zinc/87/61/52/1023876152.db2.gz NPAAYRRURRGWRC-UHFFFAOYSA-N 0 0 386.492 3.902 20 10 GHCDRN CN(C)c1ccc(CNC(=O)COc2ccc([N+](=O)[O-])c3ccccc23)cc1 ZINC000756954000 1023883889 /nfs/dbraw/zinc/88/38/89/1023883889.db2.gz OPYGZEXHNTZITN-UHFFFAOYSA-N 0 0 379.416 3.509 20 10 GHCDRN COc1ccc(N2CCCN(c3nnc(C(C)(C)C)n3CC3CC3)CC2)cc1 ZINC000830497339 1023954872 /nfs/dbraw/zinc/95/48/72/1023954872.db2.gz DDXSBYXQBABKJM-UHFFFAOYSA-N 0 0 383.540 3.711 20 10 GHCDRN CCOc1cc2c(cc1OCC)CN(Cc1ccc3c(c1)OCCN3C)CC2 ZINC001141144822 1023963724 /nfs/dbraw/zinc/96/37/24/1023963724.db2.gz LYACFGAXWJBXGH-UHFFFAOYSA-N 0 0 382.504 3.871 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000837034548 1023968277 /nfs/dbraw/zinc/96/82/77/1023968277.db2.gz DQCGHTKVPBMINA-QAPCUYQASA-N 0 0 380.410 3.788 20 10 GHCDRN O=S(=O)(c1ccc(C2CC2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000830598945 1024009261 /nfs/dbraw/zinc/00/92/61/1024009261.db2.gz BLOXTKZXHIRGQV-IBGZPJMESA-N 0 0 387.501 3.640 20 10 GHCDRN CC(C)(C)OC(=O)NC1([C@H]2C[N@H+](Cc3cccc(F)c3[O-])C[C@@H]2CF)CC1 ZINC001138123728 1024167573 /nfs/dbraw/zinc/16/75/73/1024167573.db2.gz JCMVGQNAUQPTAO-GJZGRUSLSA-N 0 0 382.451 3.606 20 10 GHCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001138126897 1024173523 /nfs/dbraw/zinc/17/35/23/1024173523.db2.gz LVOFLPFCFZDLSL-IRLDBZIGSA-N 0 0 386.467 3.514 20 10 GHCDRN CCOCCOC1CN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC001205007097 1033204511 /nfs/dbraw/zinc/20/45/11/1033204511.db2.gz FNNLCKWAMUWHCJ-UHFFFAOYSA-N 0 0 397.357 3.677 20 10 GHCDRN Cc1ccc(C(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)c(O)c1O ZINC001138212314 1024373402 /nfs/dbraw/zinc/37/34/02/1024373402.db2.gz RAGHUCYXNWIJMC-AWEZNQCLSA-N 0 0 381.457 3.978 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)COCc3cccc(Cl)c3)CC2)cc1 ZINC000837358110 1024376269 /nfs/dbraw/zinc/37/62/69/1024376269.db2.gz NYMKEYIFPZHZGT-UHFFFAOYSA-N 0 0 388.895 3.604 20 10 GHCDRN Cc1cc(C(=O)COC(=O)CSC(F)F)c(C)n1-c1ccc(Cl)cn1 ZINC000837382400 1024401268 /nfs/dbraw/zinc/40/12/68/1024401268.db2.gz DYXNOANFJCYGCV-UHFFFAOYSA-N 0 0 388.823 3.824 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)OCc3nnc(C4CC4)s3)ccc21 ZINC000837499778 1024509067 /nfs/dbraw/zinc/50/90/67/1024509067.db2.gz IUJNTAFFQJWBBE-UHFFFAOYSA-N 0 0 385.489 3.990 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@@H]2CCSC2)c(C)n1-c1ccc(Cl)cn1 ZINC000837579182 1024562775 /nfs/dbraw/zinc/56/27/75/1024562775.db2.gz XXQJEGOQTFSPOR-CYBMUJFWSA-N 0 0 378.881 3.622 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)Nc1cnc2c(c1)c(C)nn2C ZINC001141326225 1024563920 /nfs/dbraw/zinc/56/39/20/1024563920.db2.gz KJBJBNJETBWNAB-UHFFFAOYSA-N 0 0 387.443 3.749 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@H]2CCO[C@@H](C)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000837615553 1024588625 /nfs/dbraw/zinc/58/86/25/1024588625.db2.gz BWLMIISTFJSTKS-ZFWWWQNUSA-N 0 0 390.867 3.684 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2cccnc2C2CC2)c(C)n1-c1ccc(F)cn1 ZINC000837632674 1024600467 /nfs/dbraw/zinc/60/04/67/1024600467.db2.gz XEXPPZSEXZGCES-UHFFFAOYSA-N 0 0 393.418 3.940 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2cc(C)nnc2C)c(C)n1-c1ccc(Cl)cn1 ZINC000837683136 1024631892 /nfs/dbraw/zinc/63/18/92/1024631892.db2.gz WTEHEUPGUMPEDN-UHFFFAOYSA-N 0 0 398.850 3.589 20 10 GHCDRN Cc1[nH]c2c(cccc2C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c1C ZINC000837703489 1024646030 /nfs/dbraw/zinc/64/60/30/1024646030.db2.gz GEMUQCKHOHEHBU-UHFFFAOYSA-N 0 0 399.441 3.830 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(F)cc1Cl ZINC000837705409 1024648291 /nfs/dbraw/zinc/64/82/91/1024648291.db2.gz PELZIVFLJZREPE-UHFFFAOYSA-N 0 0 384.785 3.524 20 10 GHCDRN Cc1ccc(CC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c(Cl)c1 ZINC000837708656 1024650380 /nfs/dbraw/zinc/65/03/80/1024650380.db2.gz WXAUJALJKWUJCA-UHFFFAOYSA-N 0 0 394.849 3.622 20 10 GHCDRN O=C(C/C=C\c1cccc(F)c1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837706924 1024650929 /nfs/dbraw/zinc/65/09/29/1024650929.db2.gz IEOOUBLTKBIWPO-RQOWECAXSA-N 0 0 390.405 3.660 20 10 GHCDRN C[C@H](CC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cccc(F)c1 ZINC000837709583 1024652412 /nfs/dbraw/zinc/65/24/12/1024652412.db2.gz JLLLLYZNBXLDSY-CQSZACIVSA-N 0 0 392.421 3.751 20 10 GHCDRN Cc1ccc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c(Cl)c1 ZINC000837711043 1024655085 /nfs/dbraw/zinc/65/50/85/1024655085.db2.gz WUDZSMBQNZHBAA-UHFFFAOYSA-N 0 0 380.822 3.693 20 10 GHCDRN Cc1ccnc2ccc(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)cc12 ZINC000837713257 1024655947 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C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000837882092 1024779621 /nfs/dbraw/zinc/77/96/21/1024779621.db2.gz IUDGKCIBZNVGEK-MFMILTCTSA-N 0 0 383.467 3.579 20 10 GHCDRN C[C@@H](NC(=O)N(C)[C@@H](C)Cc1cccc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000837883578 1024780639 /nfs/dbraw/zinc/78/06/39/1024780639.db2.gz ZSXTZUABRURLAM-ZWKOTPCHSA-N 0 0 399.510 3.996 20 10 GHCDRN Cc1cc(C(=O)NC2(CO)CCSCC2)c(C)n1-c1cccc(Cl)c1 ZINC000838007946 1024875223 /nfs/dbraw/zinc/87/52/23/1024875223.db2.gz YTKKIRTXAHOKGS-UHFFFAOYSA-N 0 0 378.925 3.735 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000838192212 1024988351 /nfs/dbraw/zinc/98/83/51/1024988351.db2.gz MTVDMVRKUMORSF-BVGQSLNGSA-N 0 0 379.451 3.745 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CC3(CCOCC3)[C@@H]2C2CC2)cc1F ZINC000838391915 1025107544 /nfs/dbraw/zinc/10/75/44/1025107544.db2.gz OXLDKUWSVHTNNU-FQEVSTJZSA-N 0 0 389.515 3.773 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1F ZINC000838392343 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JUADLGCRYPICQG-CYBMUJFWSA-N 0 0 378.467 3.559 20 10 GHCDRN CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000839919953 1026347246 /nfs/dbraw/zinc/34/72/46/1026347246.db2.gz XVSCEVAJEUEXLI-WMZOPIPTSA-N 0 0 382.504 3.778 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc(O[C@@H]2CCOC2)cc1 ZINC000839921717 1026348484 /nfs/dbraw/zinc/34/84/84/1026348484.db2.gz MBOVMRSBABUHJO-VGOFRKELSA-N 0 0 382.504 3.590 20 10 GHCDRN COc1ccc(N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c(OC)c1 ZINC001163952495 1026370752 /nfs/dbraw/zinc/37/07/52/1026370752.db2.gz HHJMSNRKOOOXNH-UHFFFAOYSA-N 0 0 377.828 3.592 20 10 GHCDRN Cc1cc(C[NH+]2CCC3(CC2)Cc2ccccc2CNC3=O)ccc1N(C)C ZINC001139672465 1026527065 /nfs/dbraw/zinc/52/70/65/1026527065.db2.gz XXMLMSRRWHQDIA-UHFFFAOYSA-N 0 0 377.532 3.516 20 10 GHCDRN Cc1cc(CN2C[C@H](NC(=O)OC(C)(C)C)CC(F)(F)C2)ccc1N(C)C ZINC001139674417 1026528906 /nfs/dbraw/zinc/52/89/06/1026528906.db2.gz ZABGNVCSYFJXOJ-MRXNPFEDSA-N 0 0 383.483 3.795 20 10 GHCDRN CCOc1ccc(N2CCN(Cc3cnc(Br)s3)CC2)cc1 ZINC001139916184 1026729562 /nfs/dbraw/zinc/72/95/62/1026729562.db2.gz CCLBXLGSHGPQTP-UHFFFAOYSA-N 0 0 382.327 3.627 20 10 GHCDRN Oc1ccc(F)cc1CN1CCN(c2ccc(C(F)(F)F)c(Cl)n2)CC1 ZINC001140055121 1026835836 /nfs/dbraw/zinc/83/58/36/1026835836.db2.gz JXECBFWEASMOSV-UHFFFAOYSA-N 0 0 389.780 3.921 20 10 GHCDRN COc1ccc(N2CCN(Cc3cccc(Cl)c3OC)CC2)c(OC)c1 ZINC001140063663 1026843732 /nfs/dbraw/zinc/84/37/32/1026843732.db2.gz ZWNAMDCGKMNKGN-UHFFFAOYSA-N 0 0 376.884 3.688 20 10 GHCDRN C[C@@H]1CN(Cc2c(O)cccc2Br)CCN1C(=O)OC(C)(C)C ZINC001140098872 1026875295 /nfs/dbraw/zinc/87/52/95/1026875295.db2.gz PYNLNIIOOJOFNY-GFCCVEGCSA-N 0 0 385.302 3.596 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)CCOc3ccccc3C(C)C)C2)cc1 ZINC001166215655 1026944797 /nfs/dbraw/zinc/94/47/97/1026944797.db2.gz JTIYOXLBKYRIFT-GOSISDBHSA-N 0 0 382.504 3.983 20 10 GHCDRN C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])c1ccc(NC(N)=O)cc1 ZINC001461197206 1069437181 /nfs/dbraw/zinc/43/71/81/1069437181.db2.gz UEFXDWSOGFMQMC-SECBINFHSA-N 0 0 382.233 3.635 20 10 GHCDRN COC(=O)c1cc(Cl)cc(N2CCc3c(c4cc(OC)ccc4n3C)C2)n1 ZINC001166815809 1027092972 /nfs/dbraw/zinc/09/29/72/1027092972.db2.gz JZOCJHYBHNRSHK-UHFFFAOYSA-N 0 0 385.851 3.585 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2ncc(C)c(NCC3CC3)n2)C1 ZINC001166819046 1027095361 /nfs/dbraw/zinc/09/53/61/1027095361.db2.gz MGZXLMTUJHWQOU-UHFFFAOYSA-N 0 0 377.492 3.670 20 10 GHCDRN CN(C)C(=O)C1(C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])CCCC1 ZINC001461196905 1069437264 /nfs/dbraw/zinc/43/72/64/1069437264.db2.gz JOAXLCXBJRUJRQ-UHFFFAOYSA-N 0 0 389.721 3.546 20 10 GHCDRN CC(C)(C)OC(=O)NC1CN(c2cccc(Nc3ccc4c(c3)OCCN4)c2)C1 ZINC001209790312 1027195270 /nfs/dbraw/zinc/19/52/70/1027195270.db2.gz ZRUUOVKJRGGYCE-UHFFFAOYSA-N 0 0 396.491 3.948 20 10 GHCDRN Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2cc(Br)cc(F)c2[O-])cn1 ZINC001203161727 1027221115 /nfs/dbraw/zinc/22/11/15/1027221115.db2.gz RBJVKHRYKBLILF-MLGOLLRUSA-N 0 0 382.277 3.528 20 10 GHCDRN COc1ncc(Nc2ccc(OCCOc3ccc(N)cc3)cc2)cc1[N+](=O)[O-] ZINC001210139539 1027355235 /nfs/dbraw/zinc/35/52/35/1027355235.db2.gz YGDBGMNPWUHJPX-UHFFFAOYSA-N 0 0 396.403 3.782 20 10 GHCDRN COc1ncc(Nc2ccc(C(=O)Oc3ccc(N)cc3)cc2)cc1[N+](=O)[O-] ZINC001210139372 1027355915 /nfs/dbraw/zinc/35/59/15/1027355915.db2.gz PIVPMLSNKVPZLY-UHFFFAOYSA-N 0 0 380.360 3.543 20 10 GHCDRN Oc1c(F)cccc1Nc1ccnc2ccc(I)cc21 ZINC001210196396 1027380736 /nfs/dbraw/zinc/38/07/36/1027380736.db2.gz DLCWYNPLJFDIDO-UHFFFAOYSA-N 0 0 380.160 3.850 20 10 GHCDRN Cc1cncc(COCc2cnc3n2CCN(Cc2ccccc2O)[C@@H]3C)c1 ZINC001203555876 1027432341 /nfs/dbraw/zinc/43/23/41/1027432341.db2.gz IGJOTWBWWGKOFZ-QGZVFWFLSA-N 0 0 378.476 3.586 20 10 GHCDRN CN1c2ccccc2[C@]2(CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1=O ZINC001203577255 1027444817 /nfs/dbraw/zinc/44/48/17/1027444817.db2.gz AVIJDPOOTIZOBS-LJQANCHMSA-N 0 0 377.271 3.819 20 10 GHCDRN CCOC[C@H]1CN(Cc2cccc(OCC)c2O)Cc2ncn(CC3CC3)c21 ZINC001203603387 1027467534 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Cc1noc([C@@H]2CCCCN2C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000840485572 1027570624 /nfs/dbraw/zinc/57/06/24/1027570624.db2.gz UVLHPLMSPYTGEC-BEFAXECRSA-N 0 0 385.512 3.620 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C ZINC000840558087 1027616869 /nfs/dbraw/zinc/61/68/69/1027616869.db2.gz XKVNDAJTIKOQEN-PXNSSMCTSA-N 0 0 387.568 3.535 20 10 GHCDRN CCOC[C@@H]1CN(Cc2ccc(O)c(O)c2)Cc2cn(CC3CCCC3)nc21 ZINC001203877906 1027676010 /nfs/dbraw/zinc/67/60/10/1027676010.db2.gz ZHGXHWFSRFZETK-IBGZPJMESA-N 0 0 385.508 3.620 20 10 GHCDRN COC(=O)c1ncc(Nc2ccc(OC)cc2C(=O)c2ccc(Cl)cc2)cn1 ZINC001211155402 1027813958 /nfs/dbraw/zinc/81/39/58/1027813958.db2.gz PKQGXYCWHHFIAK-UHFFFAOYSA-N 0 0 397.818 3.900 20 10 GHCDRN Cc1ccc(C)c(NC(=S)NCc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000840841603 1027874313 /nfs/dbraw/zinc/87/43/13/1027874313.db2.gz KSFLAZVOOSCEJS-UHFFFAOYSA-N 0 0 391.487 3.905 20 10 GHCDRN CC(=O)Nc1cccc(NC(=S)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000840869892 1027908652 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C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000840979088 1028019250 /nfs/dbraw/zinc/01/92/50/1028019250.db2.gz RISVYJQFUJIOGB-NXEZZACHSA-N 0 0 393.119 3.510 20 10 GHCDRN C[C@H](NC(=O)C(=O)Nc1ccc(N)cc1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000841077644 1028098035 /nfs/dbraw/zinc/09/80/35/1028098035.db2.gz AGVYAWIDXZFOMA-NEPJUHHUSA-N 0 0 379.382 3.535 20 10 GHCDRN Nc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 ZINC000841077136 1028098301 /nfs/dbraw/zinc/09/83/01/1028098301.db2.gz ASMOSOZRFADOQY-NVXWUHKLSA-N 0 0 391.393 3.679 20 10 GHCDRN C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)Nc3ccc(N)cc3)c2)C1 ZINC000841102655 1028136974 /nfs/dbraw/zinc/13/69/74/1028136974.db2.gz HXHDKOCCPUATTI-FOIQADDNSA-N 0 0 381.476 3.941 20 10 GHCDRN C[C@@H](CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)c1cnn(C)c1 ZINC000841106490 1028144758 /nfs/dbraw/zinc/14/47/58/1028144758.db2.gz AITVLUNYTYZYHX-AWEZNQCLSA-N 0 0 382.430 3.571 20 10 GHCDRN CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)NCCc2ccc(N)cc2)c1 ZINC000841110756 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CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 ZINC000302891590 1028674199 /nfs/dbraw/zinc/67/41/99/1028674199.db2.gz ULWPSBMCCKPKAN-NQIIRXRSSA-N 0 0 393.531 3.711 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N[C@H]3COCc4ccccc43)cc2)CC1 ZINC000841578157 1028740587 /nfs/dbraw/zinc/74/05/87/1028740587.db2.gz JOHFVOFCYZZMKD-QFIPXVFZSA-N 0 0 379.504 3.994 20 10 GHCDRN COCCOc1cnc(-c2nc(-c3ccc(-n4c(C)ccc4C)cc3)no2)cn1 ZINC001214494646 1028760382 /nfs/dbraw/zinc/76/03/82/1028760382.db2.gz XXUCNTMGDXDMLK-UHFFFAOYSA-N 0 0 391.431 3.626 20 10 GHCDRN CN(c1c(F)ccc(Cl)c1Cl)S(=O)(=O)CCc1ccc(N)cc1 ZINC001214507148 1028766891 /nfs/dbraw/zinc/76/68/91/1028766891.db2.gz IZXAPKLXUJLIRF-UHFFFAOYSA-N 0 0 377.268 3.723 20 10 GHCDRN Cc1c(C(F)(F)F)nn(C)c1NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000841690553 1028838969 /nfs/dbraw/zinc/83/89/69/1028838969.db2.gz RNHATAGPAAIMPX-GFCCVEGCSA-N 0 0 397.445 3.874 20 10 GHCDRN CCCOC(=O)c1ccc(NC(=O)N(C)CCN(C)c2ccc(OC)cc2)cc1 ZINC001214653419 1028839084 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381.520 3.704 20 10 GHCDRN O=C([O-])C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841821186 1028967165 /nfs/dbraw/zinc/96/71/65/1028967165.db2.gz CSKJUFFDLYFIGF-IRXDYDNUSA-N 0 0 375.469 3.708 20 10 GHCDRN Oc1cc(F)c(F)cc1CN1CCCn2cnc(COCc3ccco3)c2C1 ZINC001142517641 1029021776 /nfs/dbraw/zinc/02/17/76/1029021776.db2.gz UWVLEZBRDVJOPT-UHFFFAOYSA-N 0 0 389.402 3.583 20 10 GHCDRN CN(C)c1ccc(Br)cc1-c1noc(-c2cccc(O)c2O)n1 ZINC001215145964 1029059522 /nfs/dbraw/zinc/05/95/22/1029059522.db2.gz UXWDYGCNGWDCCI-UHFFFAOYSA-N 0 0 376.210 3.643 20 10 GHCDRN Oc1ccc(-c2nc(-c3ccc(I)cc3F)no2)cc1O ZINC001215304362 1029140927 /nfs/dbraw/zinc/14/09/27/1029140927.db2.gz LQYJGSRNMHZJHF-UHFFFAOYSA-N 0 0 398.131 3.559 20 10 GHCDRN Cc1c(Br)ccc(-c2noc(-c3cc(O)c(O)c(O)c3)n2)c1F ZINC001215327510 1029155296 /nfs/dbraw/zinc/15/52/96/1029155296.db2.gz DXTOYANXDQAUMH-UHFFFAOYSA-N 0 0 381.157 3.730 20 10 GHCDRN CCOC(OCC)c1ccc(F)c(-c2noc(-c3cc(O)c(O)c(O)c3)n2)c1 ZINC001215327824 1029156139 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COC(=O)c1cc(NC(=O)NCc2cc(C)n(-c3ccccc3)c2C)cn1C ZINC001215894122 1029445230 /nfs/dbraw/zinc/44/52/30/1029445230.db2.gz COXCZSSXJXGKRS-UHFFFAOYSA-N 0 0 380.448 3.541 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3ccc(C(F)(F)F)cc3O)C2)cc1 ZINC001142797609 1029479711 /nfs/dbraw/zinc/47/97/11/1029479711.db2.gz DITSLIRYTNHFJQ-ZDUSSCGKSA-N 0 0 394.393 3.676 20 10 GHCDRN CCOc1ccc(O)c(C[NH2+][C@@H](CCO)c2cccc(OC(F)(F)F)c2)c1 ZINC000842742208 1029550783 /nfs/dbraw/zinc/55/07/83/1029550783.db2.gz LKBMVNUQEXRCIP-KRWDZBQOSA-N 0 0 385.382 3.903 20 10 GHCDRN Cn1nccc1[C@@H](NCc1ccc(N2CCCCC2)cc1)C(=O)OC(C)(C)C ZINC000842774547 1029579580 /nfs/dbraw/zinc/57/95/80/1029579580.db2.gz HQSNHLPCDDKBNC-HXUWFJFHSA-N 0 0 384.524 3.583 20 10 GHCDRN Cc1cc(OC(C)C)c(N(C)S(=O)(=O)CCc2ccc(N)cc2)cc1C ZINC001216380459 1029618611 /nfs/dbraw/zinc/61/86/11/1029618611.db2.gz DVCPYNFNCMBLFK-UHFFFAOYSA-N 0 0 376.522 3.682 20 10 GHCDRN CCn1cc(C(=O)OC[C@@H]2CCN(c3ccc(OC)cc3)C2)c(C(F)(F)F)n1 ZINC000842875598 1029651944 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OURTYRZDDWODDR-ZBFHGGJFSA-N 0 0 395.341 3.982 20 10 GHCDRN CN(C)C(=O)CCC(=O)N(C)CCC=C1c2ccccc2CCc2ccccc21 ZINC001143049300 1029812175 /nfs/dbraw/zinc/81/21/75/1029812175.db2.gz DILNAHLSHJYUFZ-UHFFFAOYSA-N 0 0 390.527 3.934 20 10 GHCDRN O=C(c1ccc2ocnc2c1)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001149387004 1030159034 /nfs/dbraw/zinc/15/90/34/1030159034.db2.gz OSUSETCNLLHDIH-UHFFFAOYSA-N 0 0 391.349 3.689 20 10 GHCDRN COc1ccc2c(c1)OCC[C@@H]2NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001222479706 1030161084 /nfs/dbraw/zinc/16/10/84/1030161084.db2.gz BWUXWOLNYNODGJ-IERDGZPVSA-N 0 0 397.519 3.824 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)C[C@@H](C)Cc3cccc(OC)c3)C2)cc1 ZINC001276832195 1030287610 /nfs/dbraw/zinc/28/76/10/1030287610.db2.gz PKONNTSSIVNDGA-ICSRJNTNSA-N 0 0 396.531 3.915 20 10 GHCDRN C[C@@H]1CCc2cc(F)cc3c(=O)c(C(=O)N4CCc5cccc(O)c5C4)cn1c23 ZINC001150141601 1030422449 /nfs/dbraw/zinc/42/24/49/1030422449.db2.gz NLWIMEBWJNMZCW-CYBMUJFWSA-N 0 0 392.430 3.552 20 10 GHCDRN CC[C@H](C)N(OC)C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S ZINC001150313823 1030486718 /nfs/dbraw/zinc/48/67/18/1030486718.db2.gz LWWRPRGROIPYRX-YGRGUWMTSA-N 0 0 396.509 3.606 20 10 GHCDRN CCOc1cccc2c1OCC(C(=O)NCc1c(O)ccc3c1CCCC3)=C2 ZINC001150377353 1030510702 /nfs/dbraw/zinc/51/07/02/1030510702.db2.gz HWFIYUXABZBWCV-UHFFFAOYSA-N 0 0 379.456 3.762 20 10 GHCDRN CC(C)(Cc1ccc(Br)cc1)C(=O)NCc1ccc(O)c(O)c1 ZINC001150376986 1030511114 /nfs/dbraw/zinc/51/11/14/1030511114.db2.gz FLJJMGKXVXNYDI-UHFFFAOYSA-N 0 0 378.266 3.745 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1COc2ccccc2C1 ZINC001223315731 1030521880 /nfs/dbraw/zinc/52/18/80/1030521880.db2.gz KKQOKZWFZSDEEB-LJQANCHMSA-N 0 0 379.504 3.680 20 10 GHCDRN COc1cccn2c(-c3nc(-c4ccc(-n5c(C)ccc5C)cc4)no3)nnc12 ZINC001217606354 1030529518 /nfs/dbraw/zinc/52/95/18/1030529518.db2.gz BRDCXZNIGVIQCX-UHFFFAOYSA-N 0 0 386.415 3.862 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1 ZINC001150543842 1030562988 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Cc1cc(CNC(=O)CCCCN2CCOCC2)c(C)n1-c1cccc(C)c1 ZINC001151152964 1030785537 /nfs/dbraw/zinc/78/55/37/1030785537.db2.gz GYFGNXXQSAURFQ-UHFFFAOYSA-N 0 0 383.536 3.521 20 10 GHCDRN COC(=O)[C@@H]1C[C@@H](Oc2ccc3ccccc3c2/N=N/c2nccs2)CN1 ZINC001218172386 1030806269 /nfs/dbraw/zinc/80/62/69/1030806269.db2.gz IUDJFHSTDMSGQJ-UHOYSILGSA-N 0 0 382.445 3.994 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)C(F)(F)c3ccccc3F)CC2)cc1 ZINC001151503141 1030928238 /nfs/dbraw/zinc/92/82/38/1030928238.db2.gz MEGZFGXNYDYYAH-UHFFFAOYSA-N 0 0 378.394 3.665 20 10 GHCDRN COc1ccc(N2CCN(C(=O)NCC(C)(C)C3CCCC3)CC2)c(OC)c1 ZINC001224273572 1030952065 /nfs/dbraw/zinc/95/20/65/1030952065.db2.gz UTOWVYASMZXACE-UHFFFAOYSA-N 0 0 389.540 3.752 20 10 GHCDRN C[C@@H](NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1ccccc1O ZINC001151886190 1031039798 /nfs/dbraw/zinc/03/97/98/1031039798.db2.gz YVRISUOHRUMPQG-QLJPJBMISA-N 0 0 376.865 3.726 20 10 GHCDRN CN1CCCc2cc(CNC(=O)NC[C@H](OC3CCCC3)C(F)(F)F)ccc21 ZINC001225138048 1031275436 /nfs/dbraw/zinc/27/54/36/1031275436.db2.gz CNNYWLYDDBMCGF-SFHVURJKSA-N 0 0 399.457 3.758 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc([S@](C)(=N)=O)cc1 ZINC001219159711 1031278231 /nfs/dbraw/zinc/27/82/31/1031278231.db2.gz JKLPUISGXQHPAX-HHHXNRCGSA-N 0 0 386.521 3.986 20 10 GHCDRN CN(C)c1ccc(CNC(=O)NCC2(c3ccc(F)cc3F)CC2)cc1F ZINC001225303992 1031338492 /nfs/dbraw/zinc/33/84/92/1031338492.db2.gz VTTAIFSMYKPSKQ-UHFFFAOYSA-N 0 0 377.410 3.701 20 10 GHCDRN Cc1c(NC(=O)NCc2ccc(N(C)C)cc2)cnn1-c1ccc(F)cc1F ZINC001219335941 1031364911 /nfs/dbraw/zinc/36/49/11/1031364911.db2.gz SDKWJZNSDXRIPC-UHFFFAOYSA-N 0 0 385.418 3.847 20 10 GHCDRN CC(C)(C)OC(=O)N1CCn2nc(NCc3cc(Cl)cc(F)c3O)cc2C1 ZINC001461782321 1069743931 /nfs/dbraw/zinc/74/39/31/1069743931.db2.gz KQLBHGBPLLHYRV-UHFFFAOYSA-N 0 0 396.850 3.744 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCOc2ccc(OC)cc21 ZINC001225694624 1031548124 /nfs/dbraw/zinc/54/81/24/1031548124.db2.gz ODBHWCYEJRBOOY-HXUWFJFHSA-N 0 0 383.492 3.817 20 10 GHCDRN CNC(=O)[C@H](CC(C)C)NC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001153530556 1031636949 /nfs/dbraw/zinc/63/69/49/1031636949.db2.gz QIDRRRBQWODBHK-IBGZPJMESA-N 0 0 389.927 3.567 20 10 GHCDRN Cn1c(Cc2cccs2)nc2cc(C(=O)NCc3cc(O)ccc3O)ccc21 ZINC001153885449 1031791748 /nfs/dbraw/zinc/79/17/48/1031791748.db2.gz ORRYHAZMTQPWLF-UHFFFAOYSA-N 0 0 393.468 3.567 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@H]1C(=O)NCc1cc(O)ccc1O ZINC001153886062 1031792405 /nfs/dbraw/zinc/79/24/05/1031792405.db2.gz UXGAVLGQVSAKSZ-SJORKVTESA-N 0 0 392.496 3.578 20 10 GHCDRN O=C(NCc1cc(O)ccc1O)c1cc2c([nH]1)c(Cl)ccc2Br ZINC001153889046 1031793543 /nfs/dbraw/zinc/79/35/43/1031793543.db2.gz KPBDREMTGYOJPK-UHFFFAOYSA-N 0 0 395.640 3.925 20 10 GHCDRN CCOC(=O)Nc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(Cl)c1 ZINC001154026880 1031884767 /nfs/dbraw/zinc/88/47/67/1031884767.db2.gz QTLGWIBVHZQBLM-LLVKDONJSA-N 0 0 392.839 3.681 20 10 GHCDRN COc1ccc(-c2ccc(N(C)Cc3ccc(N(C)C)cc3)nn2)c(OC)c1 ZINC001156921378 1033320329 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GHCDRN Oc1cccc(Br)c1CN1CCN(c2cccc(F)c2F)CC1 ZINC001205642822 1033508409 /nfs/dbraw/zinc/50/84/09/1033508409.db2.gz PEGXYAZKCLFVOH-UHFFFAOYSA-N 0 0 383.236 3.755 20 10 GHCDRN COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC001205660117 1033514865 /nfs/dbraw/zinc/51/48/65/1033514865.db2.gz LVLXZORUGWWGLC-MRXNPFEDSA-N 0 0 382.273 3.983 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@@H]2CC[C@@H](C3CC3)O2)cc1 ZINC001157554202 1033655998 /nfs/dbraw/zinc/65/59/98/1033655998.db2.gz ZJEXEZMENOXAJZ-VXKWHMMOSA-N 0 0 380.488 3.523 20 10 GHCDRN CC1(C)CCC[C@@H](CNC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC001229780190 1033709060 /nfs/dbraw/zinc/70/90/60/1033709060.db2.gz FTPFMZQXUNFWBF-OAHLLOKOSA-N 0 0 395.494 3.817 20 10 GHCDRN C[C@H](O)C[C@H](CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001230172677 1033929916 /nfs/dbraw/zinc/92/99/16/1033929916.db2.gz LDAIHBZMXWQGCK-SIKLNZKXSA-N 0 0 395.547 3.983 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)C[C@@H](C)C(=O)OC(C)(C)C ZINC001230196255 1033940587 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20 10 GHCDRN CCOC(=O)[C@@]1(F)CN(Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@@H]1CC ZINC001207535574 1034439263 /nfs/dbraw/zinc/43/92/63/1034439263.db2.gz JPTJJKBICLPWJZ-KBXCAEBGSA-N 0 0 390.421 3.885 20 10 GHCDRN CC(=O)Nc1ccc(O[C@H](C)C2CCOCC2)c2c1C(=O)c1ccccc1C2=O ZINC001231183500 1034449281 /nfs/dbraw/zinc/44/92/81/1034449281.db2.gz HSNJVMSPSDNYRG-CYBMUJFWSA-N 0 0 393.439 3.614 20 10 GHCDRN C[C@H](O)C(=O)Oc1cc(N(C)C)ccc1/N=N/c1ccc(Br)cn1 ZINC001231195058 1034455735 /nfs/dbraw/zinc/45/57/35/1034455735.db2.gz ZDTDFGUJYYLIAY-MEFNJXNFSA-N 0 0 393.241 3.612 20 10 GHCDRN COC(=O)[C@@H]1C[C@@H](Oc2ccc(/N=N/c3ccc(N(C)C)cc3)cc2)CN1C ZINC001231252149 1034485925 /nfs/dbraw/zinc/48/59/25/1034485925.db2.gz FXCDYUSLOLTGLQ-SBONIWPVSA-N 0 0 382.464 3.793 20 10 GHCDRN COC(C)(C)C[C@@H](C)Oc1ccc([N+](=O)[O-])c2c1C(=O)c1ccccc1C2=O ZINC001231258530 1034488051 /nfs/dbraw/zinc/48/80/51/1034488051.db2.gz WHTMYTVBIGSKHW-GFCCVEGCSA-N 0 0 383.400 3.953 20 10 GHCDRN CC(C)C[C@H](Cc1ccccc1)Oc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001231271635 1034495618 /nfs/dbraw/zinc/49/56/18/1034495618.db2.gz BNQMCPZFYPIHGA-JOCHJYFZSA-N 0 0 387.545 3.958 20 10 GHCDRN O=C1N(CC2CCCC2)CC[C@@]12CC[N@@H+](Cc1cc(F)cc(Cl)c1[O-])C2 ZINC001277510887 1034549113 /nfs/dbraw/zinc/54/91/13/1034549113.db2.gz SKFINVXCVAYYIY-HXUWFJFHSA-N 0 0 380.891 3.799 20 10 GHCDRN [O-]c1cc(F)c(F)cc1C[NH2+]CC1(c2ccccc2)CC(O)(C(F)(F)F)C1 ZINC001207741038 1034550439 /nfs/dbraw/zinc/55/04/39/1034550439.db2.gz BNICGMHWLVHMER-UHFFFAOYSA-N 0 0 387.348 3.785 20 10 GHCDRN Cn1cc(-c2ccc(C3CC[NH+](Cc4ccc(C(=O)[O-])cc4O)CC3)cc2)cn1 ZINC001231453231 1034596623 /nfs/dbraw/zinc/59/66/23/1034596623.db2.gz IYKFIQIVVUFRKA-UHFFFAOYSA-N 0 0 391.471 3.871 20 10 GHCDRN CCOCc1ncn2c1CN(Cc1ccc(OCc3ccccc3)cc1O)CC2 ZINC001231466643 1034612438 /nfs/dbraw/zinc/61/24/38/1034612438.db2.gz DZZZGDLPYIGMOF-UHFFFAOYSA-N 0 0 393.487 3.720 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC001207942796 1034673431 /nfs/dbraw/zinc/67/34/31/1034673431.db2.gz PRORDHBSJJPWHD-UHFFFAOYSA-N 0 0 378.816 3.980 20 10 GHCDRN O=C([O-])c1ccc(O)c(C[N@@H+]2CC[C@@H](c3ccc(Br)cc3)C2)c1 ZINC001231563868 1034712576 /nfs/dbraw/zinc/71/25/76/1034712576.db2.gz FQIUURPUOPEIKR-CQSZACIVSA-N 0 0 376.250 3.842 20 10 GHCDRN O=C([O-])c1ccc(O)c(C[N@H+]2C[C@H]3c4ccccc4[C@@H](OCC4CC4)[C@H]3C2)c1 ZINC001231564849 1034715418 /nfs/dbraw/zinc/71/54/18/1034715418.db2.gz ZWMDYKUORKRMKR-JAXLGGSGSA-N 0 0 379.456 3.787 20 10 GHCDRN CCOC(=O)c1ccc(Nc2ccc(N)cc2)c(I)c1 ZINC001159814180 1034750812 /nfs/dbraw/zinc/75/08/12/1034750812.db2.gz VRZCQEQDHDDSJR-UHFFFAOYSA-N 0 0 382.201 3.794 20 10 GHCDRN COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC001208251592 1034835668 /nfs/dbraw/zinc/83/56/68/1034835668.db2.gz YIHXWYVAAGFAIC-PNHOKKKMSA-N 0 0 381.476 3.912 20 10 GHCDRN CN1CCN(C(=O)c2cccc(Nc3ccc4c(c3)C(C)(C)CCN4)c2)CC1 ZINC001160332447 1034942276 /nfs/dbraw/zinc/94/22/76/1034942276.db2.gz PGAWREFUBZIFQH-UHFFFAOYSA-N 0 0 378.520 3.911 20 10 GHCDRN C[N@@H+](Cc1ccc2ccccc2c1O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001231883331 1034966761 /nfs/dbraw/zinc/96/67/61/1034966761.db2.gz OPDLASOJKXTQDJ-QFIPXVFZSA-N 0 0 376.500 3.878 20 10 GHCDRN CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[N@H+](C)Cc1ccc2ccccc2c1O ZINC001231883348 1034966909 /nfs/dbraw/zinc/96/69/09/1034966909.db2.gz IAGXVVYHSYESSN-OALUTQOASA-N 0 0 386.492 3.612 20 10 GHCDRN O=C(Nc1ccccc1)[C@@H]1CCCN1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232199574 1035157124 /nfs/dbraw/zinc/15/71/24/1035157124.db2.gz DDXQQDMSBHOTQF-NRFANRHFSA-N 0 0 399.922 3.780 20 10 GHCDRN CCN(CC)c1ccc(CNS(=O)(=O)CC[C@@H]2CC2(Cl)Cl)cc1F ZINC001209498718 1035294100 /nfs/dbraw/zinc/29/41/00/1035294100.db2.gz OPOSHRSPHHUXIJ-CYBMUJFWSA-N 0 0 397.343 3.675 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3cc(F)c(Cl)cc3OC)C2)cc1 ZINC001209629893 1035336972 /nfs/dbraw/zinc/33/69/72/1035336972.db2.gz PUFGTTRXGVCUEE-LBPRGKRZSA-N 0 0 393.846 3.897 20 10 GHCDRN Cc1cc(CNC(=O)C[C@H]2COc3ccccc3O2)c(C)n1-c1ccccc1 ZINC001462083205 1069985214 /nfs/dbraw/zinc/98/52/14/1069985214.db2.gz HUERKCXLEKFAJG-FQEVSTJZSA-N 0 0 376.456 3.940 20 10 GHCDRN Cc1cc(CNC(=O)c2nc(C)ncc2Br)c(C)n1-c1ccccc1 ZINC001462086136 1069987292 /nfs/dbraw/zinc/98/72/92/1069987292.db2.gz PZYAZRKWBSGTQM-UHFFFAOYSA-N 0 0 399.292 3.885 20 10 GHCDRN C[Si](C)(C)CCOCn1ccc2c1ncnc2-c1cnc2nccnc2c1 ZINC001244037172 1036362245 /nfs/dbraw/zinc/36/22/45/1036362245.db2.gz BBKSHICNWVPEMW-UHFFFAOYSA-N 0 0 378.512 3.749 20 10 GHCDRN COCCOc1ccc(-c2ncnc3c2ccn3Cc2ccc(F)cc2)cn1 ZINC001244423858 1036502279 /nfs/dbraw/zinc/50/22/79/1036502279.db2.gz CJJVUOMBXGJECM-UHFFFAOYSA-N 0 0 378.407 3.706 20 10 GHCDRN CC(C)(C)OC(=O)N1CC2(C1)CCCCN2Cc1cc(Cl)c(O)cc1O ZINC001232257367 1037980155 /nfs/dbraw/zinc/98/01/55/1037980155.db2.gz DBMJLAPWJDLMLH-UHFFFAOYSA-N 0 0 382.888 3.727 20 10 GHCDRN Oc1cc(O)c(CN2CCN(c3c(Cl)cncc3Cl)CC2)cc1Cl ZINC001232268788 1037991681 /nfs/dbraw/zinc/99/16/81/1037991681.db2.gz RURXDAKHJVQJFF-UHFFFAOYSA-N 0 0 388.682 3.775 20 10 GHCDRN Cc1cc(Br)c(-c2noc(Cc3ccc(O)c(O)c3)n2)cc1F ZINC001247959228 1038515301 /nfs/dbraw/zinc/51/53/01/1038515301.db2.gz NBUYJYMJDXTBSY-UHFFFAOYSA-N 0 0 379.185 3.949 20 10 GHCDRN O=C1CSC(=S)N1CCCc1nc(-c2ccc3sccc3c2)no1 ZINC001248040259 1038551889 /nfs/dbraw/zinc/55/18/89/1038551889.db2.gz KZZQDQFUPOVBNN-UHFFFAOYSA-N 0 0 375.500 3.744 20 10 GHCDRN COc1cccc(CC[N@H+](C)Cc2ccc(I)cc2O)c1 ZINC001232980741 1038748348 /nfs/dbraw/zinc/74/83/48/1038748348.db2.gz VGRQDSNJQRYVNS-UHFFFAOYSA-N 0 0 397.256 3.680 20 10 GHCDRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001233014916 1038768304 /nfs/dbraw/zinc/76/83/04/1038768304.db2.gz FGRFDTGVUFPVRK-UHFFFAOYSA-N 0 0 386.448 3.709 20 10 GHCDRN CC(C)(C)OC(=O)N1CCCC[C@]12CCCN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001233014227 1038768390 /nfs/dbraw/zinc/76/83/90/1038768390.db2.gz NEWNAFBTEAPBIY-OAQYLSRUSA-N 0 0 392.496 3.559 20 10 GHCDRN [O-]c1cc(Br)cc(F)c1C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC001233034008 1038787805 /nfs/dbraw/zinc/78/78/05/1038787805.db2.gz ZIGUQLQQYSDXCC-KBPBESRZSA-N 0 0 391.284 3.862 20 10 GHCDRN Cc1cccc(N2CCN(C(=O)N[C@@H](C)Cc3ccc(N(C)C)cc3C)CC2)c1 ZINC001251982475 1038791888 /nfs/dbraw/zinc/79/18/88/1038791888.db2.gz WIZPUJGRRJNQRG-FQEVSTJZSA-N 0 0 394.563 3.832 20 10 GHCDRN CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(F)c(F)c3[O-])C[C@H]21 ZINC001233077926 1038844088 /nfs/dbraw/zinc/84/40/88/1038844088.db2.gz XTODXXRDTHBGGV-QKYXUNIQSA-N 0 0 387.474 3.798 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)NCc3ccc(C(C)(C)C)o3)C2)cc1 ZINC001252114250 1038866138 /nfs/dbraw/zinc/86/61/38/1038866138.db2.gz BIYCQJRVMJTNGU-INIZCTEOSA-N 0 0 385.508 3.911 20 10 GHCDRN COc1ccc2c(c1)CN(Cc1cc(Br)c(OC)cc1O)CC2 ZINC001233135069 1038916877 /nfs/dbraw/zinc/91/68/77/1038916877.db2.gz KVQYVDOYWXFYMB-UHFFFAOYSA-N 0 0 378.266 3.730 20 10 GHCDRN COC(=O)c1cc(Br)c([O-])c(CN2CC[C@H]2c2ccccc2)c1 ZINC001233308616 1039098083 /nfs/dbraw/zinc/09/80/83/1039098083.db2.gz YMRKUCJUTLDCSJ-INIZCTEOSA-N 0 0 376.250 3.888 20 10 GHCDRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416794 1039275370 /nfs/dbraw/zinc/27/53/70/1039275370.db2.gz WYPVIIYGFWIQOW-GJZGRUSLSA-N 0 0 386.414 3.995 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H]1CN(Cc2cccc(C(F)(F)F)c2O)CC[C@H]1F ZINC001233418553 1039279356 /nfs/dbraw/zinc/27/93/56/1039279356.db2.gz LVAFGZBBIDZSKA-KGLIPLIRSA-N 0 0 392.393 3.848 20 10 GHCDRN COC(=O)[C@H]1[C@H](c2ccccc2)OCCN1Cc1cccc(C(F)(F)F)c1O ZINC001233419535 1039280548 /nfs/dbraw/zinc/28/05/48/1039280548.db2.gz BOVHFEVCTSDBMZ-AEFFLSMTSA-N 0 0 395.377 3.526 20 10 GHCDRN O=C(N[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])C1)c1ccccc1F ZINC001233419796 1039281661 /nfs/dbraw/zinc/28/16/61/1039281661.db2.gz MUMLUUNNJBJFHN-CQSZACIVSA-N 0 0 396.384 3.945 20 10 GHCDRN O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2[O-])CC1)N1CCCCC1 ZINC001233420030 1039282263 /nfs/dbraw/zinc/28/22/63/1039282263.db2.gz WVUQGOVHQLFVIW-UHFFFAOYSA-N 0 0 385.430 3.571 20 10 GHCDRN Oc1cc(O)c(CN2CCN(c3ccc(F)c(Cl)c3Cl)CC2)cc1O ZINC001233487769 1039381087 /nfs/dbraw/zinc/38/10/87/1039381087.db2.gz RKEKOAKOLUDWFE-UHFFFAOYSA-N 0 0 387.238 3.572 20 10 GHCDRN Oc1cc(O)c(CN2CCOC[C@@H]2c2csc(-c3ccccc3)n2)cc1O ZINC001233483858 1039381691 /nfs/dbraw/zinc/38/16/91/1039381691.db2.gz OOMZIPULZKPNDB-MRXNPFEDSA-N 0 0 384.457 3.500 20 10 GHCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@H]([C@H](C)C(=O)OCC)C(F)(F)F ZINC001233497524 1039391831 /nfs/dbraw/zinc/39/18/31/1039391831.db2.gz OHESDQAJJVEPFF-BJOHPYRUSA-N 0 0 378.343 3.590 20 10 GHCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001233498842 1039393805 /nfs/dbraw/zinc/39/38/05/1039393805.db2.gz WMJBISNLTUDADE-HJPURHCSSA-N 0 0 399.487 3.749 20 10 GHCDRN O=C(Nc1ccccc1)N1CCN(Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233760776 1039595172 /nfs/dbraw/zinc/59/51/72/1039595172.db2.gz JZLGQGORNSWPMV-UHFFFAOYSA-N 0 0 395.381 3.641 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)/C=C/c3ccnc4ccccc34)CC2)cc1 ZINC001253441589 1039642433 /nfs/dbraw/zinc/64/24/33/1039642433.db2.gz FXBRKOAIKRZIBZ-KPKJPENVSA-N 0 0 387.483 3.996 20 10 GHCDRN CCCCN1C[C@@]2(F)CN(Cc3cc(Cl)c(Cl)cc3O)C[C@@]2(F)C1=O ZINC001277830002 1039811332 /nfs/dbraw/zinc/81/13/32/1039811332.db2.gz LFEFFHIXRDFVTM-DLBZAZTESA-N 0 0 393.261 3.574 20 10 GHCDRN COc1ccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CC(C)C)C3)c([O-])c1Cl ZINC001277833502 1039872979 /nfs/dbraw/zinc/87/29/79/1039872979.db2.gz KPOFQJAVTWGFRV-FQEVSTJZSA-N 0 0 380.916 3.667 20 10 GHCDRN CC(=O)c1cc(O)c(O)cc1OC[C@@H]1CO[C@]2(C[C@H](C)CC[C@@H]2C(C)C)O1 ZINC001234473859 1040056258 /nfs/dbraw/zinc/05/62/58/1040056258.db2.gz KTSUVLQPSMGMOA-VKUNOELRSA-N 0 0 378.465 3.883 20 10 GHCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC001234473329 1040056453 /nfs/dbraw/zinc/05/64/53/1040056453.db2.gz DBAUHSMNNFPZBG-SJKOYZFVSA-N 0 0 379.453 3.715 20 10 GHCDRN Cc1c([C@@H](C)Oc2c(O)c(=O)cc3[nH]c(-c4ccccc4)cc(O)c2-3)cnn1C ZINC001234678812 1040210695 /nfs/dbraw/zinc/21/06/95/1040210695.db2.gz HGMNJHNSGSCAPG-CYBMUJFWSA-N 0 0 391.427 3.788 20 10 GHCDRN Fc1cnc(CN2CCN(c3ccc(OCc4ccccc4)cc3)CC2)nc1 ZINC001235015369 1040502081 /nfs/dbraw/zinc/50/20/81/1040502081.db2.gz FAXPEBYNVXPIAZ-UHFFFAOYSA-N 0 0 378.451 3.517 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001235058060 1040547455 /nfs/dbraw/zinc/54/74/55/1040547455.db2.gz VJUNKXQTPFUKOZ-ZDUSSCGKSA-N 0 0 386.183 3.573 20 10 GHCDRN CC[C@@H]1[N@H+](Cc2cc(Br)cc(F)c2[O-])CCC[C@]12CCC(=O)N2C ZINC001235059282 1040549641 /nfs/dbraw/zinc/54/96/41/1040549641.db2.gz BDUPKVHVYRWDAR-YJBOKZPZSA-N 0 0 399.304 3.659 20 10 GHCDRN COCCOc1ccc(N2CCN(Cc3cc4cccc(F)c4[nH]3)CC2)cc1 ZINC001235251018 1040732347 /nfs/dbraw/zinc/73/23/47/1040732347.db2.gz IIRZDPKTQRFLHU-UHFFFAOYSA-N 0 0 383.467 3.654 20 10 GHCDRN CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235293785 1040765594 /nfs/dbraw/zinc/76/55/94/1040765594.db2.gz BSWWTHBMIJHXAW-KRWDZBQOSA-N 0 0 388.277 3.849 20 10 GHCDRN [O-]c1c(Br)cc(F)cc1C[NH+]1CCC(Oc2ccc(F)cn2)CC1 ZINC001235306494 1040780213 /nfs/dbraw/zinc/78/02/13/1040780213.db2.gz GYZIHZVXPBROJE-UHFFFAOYSA-N 0 0 399.235 3.871 20 10 GHCDRN COc1ccc(CNC(=O)NCCc2cccc(Br)c2C)c(O)c1 ZINC001255224986 1040915607 /nfs/dbraw/zinc/91/56/07/1040915607.db2.gz MVOOJNRSERIGPG-UHFFFAOYSA-N 0 0 393.281 3.514 20 10 GHCDRN CC(C)(C)c1ccc(CN2CCOC[C@@H]2c2nccc(N3CCCC3)n2)c(O)c1 ZINC001235678236 1041138884 /nfs/dbraw/zinc/13/88/84/1041138884.db2.gz FCQONLNEYJIHKG-LJQANCHMSA-N 0 0 396.535 3.653 20 10 GHCDRN [O-]c1c(F)ccc(F)c1CN1CC[NH2+][C@H](c2cccc(Br)c2)C1 ZINC001235792156 1041286510 /nfs/dbraw/zinc/28/65/10/1041286510.db2.gz LWHPKBYGKROBKW-INIZCTEOSA-N 0 0 383.236 3.579 20 10 GHCDRN CC[C@@H]1CN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CCO1 ZINC001235832738 1041355990 /nfs/dbraw/zinc/35/59/90/1041355990.db2.gz GLYCXLRZSKPWPQ-NVXWUHKLSA-N 0 0 379.932 3.897 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1CN1CC[NH2+]C[C@H]1Cc1ccccc1 ZINC001235850123 1041375247 /nfs/dbraw/zinc/37/52/47/1041375247.db2.gz RFPHYISTBFRFJY-MRXNPFEDSA-N 0 0 395.728 3.825 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2CN(Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001236395615 1041699875 /nfs/dbraw/zinc/69/98/75/1041699875.db2.gz MENODMFVROIRFX-SFHVURJKSA-N 0 0 396.462 3.700 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)[C@H](C)C2)c1 ZINC001236663243 1041811110 /nfs/dbraw/zinc/81/11/10/1041811110.db2.gz KMNYLZCJUDDHCN-YGRLFVJLSA-N 0 0 382.220 3.598 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c1 ZINC001236663108 1041811175 /nfs/dbraw/zinc/81/11/75/1041811175.db2.gz BQOASJVKQFYGNN-QFBILLFUSA-N 0 0 396.325 3.623 20 10 GHCDRN Cc1cc(Br)c(O)c(CN2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1 ZINC001236664539 1041812400 /nfs/dbraw/zinc/81/24/00/1041812400.db2.gz VLNSTFUSDDEHQR-KBPBESRZSA-N 0 0 397.313 3.657 20 10 GHCDRN Cc1cc(Br)c(O)c(CN2CCN(C)c3nc(C)ccc3C2)c1 ZINC001236667131 1041814359 /nfs/dbraw/zinc/81/43/59/1041814359.db2.gz SIZBNVHUVSCZGK-UHFFFAOYSA-N 0 0 376.298 3.619 20 10 GHCDRN Cc1cc(Br)c(O)c(CN(Cc2cocn2)Cc2cocn2)c1 ZINC001236668818 1041815675 /nfs/dbraw/zinc/81/56/75/1041815675.db2.gz ICIZSYJDFJAECL-UHFFFAOYSA-N 0 0 378.226 3.642 20 10 GHCDRN CCOC(=O)C[C@H]1CC[N@H+](Cc2cc(C)cc(Br)c2[O-])C[C@H]1C ZINC001236669207 1041816255 /nfs/dbraw/zinc/81/62/55/1041816255.db2.gz HVFDSNODLQJFBD-ZIAGYGMSSA-N 0 0 384.314 3.874 20 10 GHCDRN COC(=O)c1cccc2c1CN(Cc1cc(C)cc(Br)c1O)CC2 ZINC001236671072 1041818102 /nfs/dbraw/zinc/81/81/02/1041818102.db2.gz SCCCWRYJPAQSCW-UHFFFAOYSA-N 0 0 390.277 3.808 20 10 GHCDRN Cc1cccc(O[C@H]2CCCN(Cc3cc(O)c(Br)cc3O)C2)n1 ZINC001236766097 1041880081 /nfs/dbraw/zinc/88/00/81/1041880081.db2.gz VHKPSHZJCWKQNZ-AWEZNQCLSA-N 0 0 393.281 3.607 20 10 GHCDRN Oc1ccc(OCc2ccccc2)cc1CN1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001236778716 1041887167 /nfs/dbraw/zinc/88/71/67/1041887167.db2.gz MFQDCDODQYGTFS-MOPGFXCFSA-N 0 0 399.384 3.808 20 10 GHCDRN O=C1[C@H]2C[N@H+](Cc3cc(Cl)c(Cl)cc3[O-])C[C@H]2CN1c1ccsc1 ZINC001236792923 1041898604 /nfs/dbraw/zinc/89/86/04/1041898604.db2.gz JNFFVCOBFOGECO-AAEUAGOBSA-N 0 0 383.300 3.855 20 10 GHCDRN COc1cccc(C(=O)N2CCN(Cc3cc(Cl)c(Cl)cc3O)CC2)c1 ZINC001236804444 1041906532 /nfs/dbraw/zinc/90/65/32/1041906532.db2.gz STSDCCMXFDYABB-UHFFFAOYSA-N 0 0 395.286 3.666 20 10 GHCDRN COc1cc(C)c(CN2Cc3ncn(C)c3[C@@H](COCC3CCCC3)C2)c(O)c1 ZINC001236806732 1041908001 /nfs/dbraw/zinc/90/80/01/1041908001.db2.gz ABVXWOUTVOCUPE-GOSISDBHSA-N 0 0 399.535 3.749 20 10 GHCDRN COc1cc(OC2CC[NH+](Cc3ccc(OC)c(Cl)c3[O-])CC2)ccn1 ZINC001236809232 1041909615 /nfs/dbraw/zinc/90/96/15/1041909615.db2.gz KKJOOXSCBGQRHP-UHFFFAOYSA-N 0 0 378.856 3.501 20 10 GHCDRN COc1cc(C)c(CN2CCN(c3c(Cl)cncc3Cl)CC2)c(O)c1 ZINC001236811348 1041911114 /nfs/dbraw/zinc/91/11/14/1041911114.db2.gz QXCWJPYSXDWHKC-UHFFFAOYSA-N 0 0 382.291 3.733 20 10 GHCDRN COC(=O)[C@H]1CC[N@H+](Cc2ccc(OC)c(Cl)c2[O-])[C@H]1c1ccccc1 ZINC001236817117 1041914936 /nfs/dbraw/zinc/91/49/36/1041914936.db2.gz CYTZAWQZZNDJFY-YJBOKZPZSA-N 0 0 375.852 3.790 20 10 GHCDRN CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C[C@@H]1C ZINC001236927777 1041961431 /nfs/dbraw/zinc/96/14/31/1041961431.db2.gz WKCZBMZWAWIUHC-IRXDYDNUSA-N 0 0 394.943 3.588 20 10 GHCDRN Cc1nc([C@@H]2COCCN2Cc2ccc(OCC(F)(F)F)cc2O)cs1 ZINC001237052967 1042011752 /nfs/dbraw/zinc/01/17/52/1042011752.db2.gz WVUYJJVIHKGDLW-HNNXBMFYSA-N 0 0 388.411 3.672 20 10 GHCDRN COC(=O)CC[N@H+](Cc1ccc(OCC(F)(F)F)cc1O)C1CCCC1 ZINC001237058324 1042014189 /nfs/dbraw/zinc/01/41/89/1042014189.db2.gz YEQHANPLKDCCHS-UHFFFAOYSA-N 0 0 375.387 3.641 20 10 GHCDRN O=C(c1ccccc1)N1C[C@@H]2C[N@H+](Cc3c([O-])ccc(Cl)c3Cl)C[C@@H]2C1 ZINC001237080014 1042025378 /nfs/dbraw/zinc/02/53/78/1042025378.db2.gz QYAGZHBVHFWCJS-GASCZTMLSA-N 0 0 391.298 3.903 20 10 GHCDRN Oc1cccc(OC(F)(F)F)c1CN1CCN(Cc2cccc(F)c2)CC1 ZINC001237111574 1042044212 /nfs/dbraw/zinc/04/42/12/1042044212.db2.gz SLJDPDHPVXUALI-UHFFFAOYSA-N 0 0 384.373 3.748 20 10 GHCDRN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1Cc1c(O)cccc1OC(F)(F)F ZINC001237118707 1042047758 /nfs/dbraw/zinc/04/77/58/1042047758.db2.gz AHZFJXCSFYSJHS-NEPJUHHUSA-N 0 0 390.402 3.778 20 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CO[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC001312584468 1052800378 /nfs/dbraw/zinc/80/03/78/1052800378.db2.gz BAMZNCNPPDFOTA-LSBZLQRGSA-N 0 0 379.932 3.943 20 10 GHCDRN CO[C@@](C)(CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccccc1 ZINC001312719365 1052847621 /nfs/dbraw/zinc/84/76/21/1052847621.db2.gz IVHBMHMBLLJGIY-QHCPKHFHSA-N 0 0 381.520 3.988 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@@]1(C)OCCc2sccc21 ZINC001312822629 1052883915 /nfs/dbraw/zinc/88/39/15/1052883915.db2.gz MSPFVLZPPKGMHD-JOCHJYFZSA-N 0 0 399.560 3.978 20 10 GHCDRN COc1ccc(N2CCN(C(=O)N[C@@H]3CCC[C@H](C4CC4)C3)CC2)c(OC)c1 ZINC001312894039 1052904517 /nfs/dbraw/zinc/90/45/17/1052904517.db2.gz PRZGZKGDJQAGLR-ZWKOTPCHSA-N 0 0 387.524 3.504 20 10 GHCDRN COc1ccc(N2CCN(C(=O)N[C@@H]3C[C@H]3c3ccc(C)cc3)CC2)cc1F ZINC001312905902 1052907622 /nfs/dbraw/zinc/90/76/22/1052907622.db2.gz JSCLWOWLZDXEOI-AZUAARDMSA-N 0 0 383.467 3.530 20 10 GHCDRN CCSc1ccc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC001312995742 1052929649 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CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(N(C)C)cc1C ZINC001313564226 1053100019 /nfs/dbraw/zinc/10/00/19/1053100019.db2.gz ZIONITBMTJYCBS-UHFFFAOYSA-N 0 0 384.915 3.872 20 10 GHCDRN CCN(CC)c1ccc(Cn2c(-c3cnccn3)nnc2N(C)CC(C)C)cc1 ZINC001313681141 1053166058 /nfs/dbraw/zinc/16/60/58/1053166058.db2.gz QPRMJXNKBKPGEA-UHFFFAOYSA-N 0 0 393.539 3.722 20 10 GHCDRN CCOCCCn1c([C@@H]2CCC(F)(F)C2)nnc1N(C)Cc1ccccc1O ZINC001342441508 1053172614 /nfs/dbraw/zinc/17/26/14/1053172614.db2.gz HHAHFSKUXZQBRG-OAHLLOKOSA-N 0 0 394.466 3.950 20 10 GHCDRN CCOCc1nnc(N2CC[C@@H]3CCC[C@H]32)n1Cc1ccc(N(C)C)cc1C ZINC001314359122 1053443093 /nfs/dbraw/zinc/44/30/93/1053443093.db2.gz UOARSIPLMLZHPW-FXAWDEMLSA-N 0 0 383.540 3.616 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc(CC(C)(C)C)n1C[C@@H]1CCC[C@@H](O)C1 ZINC001314753641 1053589704 /nfs/dbraw/zinc/58/97/04/1053589704.db2.gz UBVSCYOMZFLNHF-SJLPKXTDSA-N 0 0 386.540 3.760 20 10 GHCDRN O=C1C=CSC1c1nnc(N2CC[C@@H]3OCCC[C@@H]3C2)n1Cc1ccccc1 ZINC001344093354 1054243611 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390.293 3.511 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Br)cc(F)c1[O-] ZINC000850558315 877024529 /nfs/dbraw/zinc/02/45/29/877024529.db2.gz PYCIYAUKSIDSHZ-MNOVXSKESA-N 0 0 387.293 3.591 20 10 GHCDRN C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cc(F)cc(F)c1[O-] ZINC000786983538 877088886 /nfs/dbraw/zinc/08/88/86/877088886.db2.gz VVRZCLWGFGDSDV-ADLMAVQZSA-N 0 0 396.384 3.790 20 10 GHCDRN O=C(NCC1CCC(O)CC1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000850683631 877095742 /nfs/dbraw/zinc/09/57/42/877095742.db2.gz WDVYBOYSXHRTQN-UHFFFAOYSA-N 0 0 380.448 3.708 20 10 GHCDRN COc1ccc(N2CCN(c3ccc4cnccc4c3[N+](=O)[O-])CC2)cc1F ZINC000858441079 883099322 /nfs/dbraw/zinc/09/93/22/883099322.db2.gz KILLBVZFBNDASF-UHFFFAOYSA-N 0 0 382.395 3.617 20 10 GHCDRN CC(C)(C)n1ncc(NCc2ccc(N3CCSCC3)cc2)c(Cl)c1=O ZINC000109576357 877217012 /nfs/dbraw/zinc/21/70/12/877217012.db2.gz LJJJJPDAWNSSCT-UHFFFAOYSA-N 0 0 392.956 3.817 20 10 GHCDRN COCc1c2ccccc2oc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000109180438 877406793 /nfs/dbraw/zinc/40/67/93/877406793.db2.gz RZPVXHVYLRTTHE-INIZCTEOSA-N 0 0 394.471 3.907 20 10 GHCDRN Cc1ccc2c(CC(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)coc2c1 ZINC000007730162 877412492 /nfs/dbraw/zinc/41/24/92/877412492.db2.gz DPPDIPWUPKGEBF-UHFFFAOYSA-N 0 0 394.471 3.552 20 10 GHCDRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)NCc1cccc(OC)c1O ZINC000787463145 877420506 /nfs/dbraw/zinc/42/05/06/877420506.db2.gz ZJMWYGKCYCWMND-LBPRGKRZSA-N 0 0 394.855 3.790 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@H](C)C[C@@H](O)c3ccco3)c2C)cc1 ZINC000152276759 877528764 /nfs/dbraw/zinc/52/87/64/877528764.db2.gz YMWXEDBTZDISBO-JLTOFOAXSA-N 0 0 382.460 3.938 20 10 GHCDRN CN(C)c1ccc(CNS(=O)(=O)c2ccc(OC3CCCC3)cc2)cc1F ZINC000746702461 877543856 /nfs/dbraw/zinc/54/38/56/877543856.db2.gz NVSQPTITWZMYSX-UHFFFAOYSA-N 0 0 392.496 3.692 20 10 GHCDRN CC(C)Oc1ccccc1[C@H](C)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000787882109 877685952 /nfs/dbraw/zinc/68/59/52/877685952.db2.gz XIFXHMQBRSGMOI-SJORKVTESA-N 0 0 397.519 3.594 20 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/nfs/dbraw/zinc/03/97/40/878039740.db2.gz LFJHSPPTCBTPRV-AEFFLSMTSA-N 0 0 383.492 3.733 20 10 GHCDRN Cc1cc(C(=O)N2CCC(C3OCCO3)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000110412440 878090197 /nfs/dbraw/zinc/09/01/97/878090197.db2.gz CTASJBOXDVTQOV-UHFFFAOYSA-N 0 0 388.895 3.973 20 10 GHCDRN O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCCCCO1 ZINC000788487695 878097444 /nfs/dbraw/zinc/09/74/44/878097444.db2.gz CIAKSQHIFNHCNE-WYMLVPIESA-N 0 0 396.559 3.674 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)c3ccc(F)cc3F)C2)cc1 ZINC000852180254 878123459 /nfs/dbraw/zinc/12/34/59/878123459.db2.gz RHYMNNSSHIDHBT-HIFRSBDPSA-N 0 0 375.419 3.613 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)c3ccc4ncsc4c3)C2)cc1 ZINC000852263564 878183573 /nfs/dbraw/zinc/18/35/73/878183573.db2.gz IJSXKRUZZGLINQ-ZBFHGGJFSA-N 0 0 396.516 3.944 20 10 GHCDRN COc1ccccc1-c1cc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)on1 ZINC000852261347 878183763 /nfs/dbraw/zinc/18/37/63/878183763.db2.gz QDQXQAYBHLRWEN-HNNXBMFYSA-N 0 0 394.475 3.977 20 10 GHCDRN C[C@@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000788652969 878218411 /nfs/dbraw/zinc/21/84/11/878218411.db2.gz UMUDEDWZSHVACM-LLVKDONJSA-N 0 0 388.411 3.633 20 10 GHCDRN Cc1ccc(C(=O)OCC(=O)Nc2ccccc2Cc2ccccc2)c(O)c1O ZINC000110522994 878220841 /nfs/dbraw/zinc/22/08/41/878220841.db2.gz SFJWJIQVTMXCTI-UHFFFAOYSA-N 0 0 391.423 3.793 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)NCc3c(F)cccc3SC)C2)cc1 ZINC000852323717 878238973 /nfs/dbraw/zinc/23/89/73/878238973.db2.gz LMFJRNFISHYRLQ-AWEZNQCLSA-N 0 0 389.496 3.634 20 10 GHCDRN COc1ccc(N[C@@H](C)c2cccc(C(F)(F)F)c2O)cc1-n1cnnn1 ZINC000788729481 878280610 /nfs/dbraw/zinc/28/06/10/878280610.db2.gz KUXNJDQUWNPMSC-JTQLQIEISA-N 0 0 379.342 3.568 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3Cc4ccccc4[C@@H]3C)C2)cc1 ZINC000852388139 878295272 /nfs/dbraw/zinc/29/52/72/878295272.db2.gz YGIKRNGEZFUACP-GSHUGGBRSA-N 0 0 379.504 3.549 20 10 GHCDRN CN1CCCc2cc(CNC(=O)Nc3cccc(OC[C@H]4CCCO4)c3)ccc21 ZINC000746763309 878313590 /nfs/dbraw/zinc/31/35/90/878313590.db2.gz CFMYCLDPDOYTPF-OAQYLSRUSA-N 0 0 395.503 3.949 20 10 GHCDRN C[C@H]1CN(c2ccccc2F)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000788796557 878324526 /nfs/dbraw/zinc/32/45/26/878324526.db2.gz GNVODXUYHAFWKM-SFHVURJKSA-N 0 0 394.494 3.622 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)NC3CCC4(CC4(F)F)CC3)C2)cc1 ZINC000852450032 878330485 /nfs/dbraw/zinc/33/04/85/878330485.db2.gz FXAGJHDUXQMNES-HVEKOLDVSA-N 0 0 379.451 3.541 20 10 GHCDRN CC[C@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)c1nc2ccccc2[nH]1 ZINC000852452804 878333179 /nfs/dbraw/zinc/33/31/79/878333179.db2.gz GLPRCROIBRDMSL-YJBOKZPZSA-N 0 0 393.491 3.601 20 10 GHCDRN CC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccc(OC)cc1 ZINC000852455722 878336196 /nfs/dbraw/zinc/33/61/96/878336196.db2.gz VAAZOAGKRRWKOC-UTKZUKDTSA-N 0 0 383.492 3.733 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N(C)[C@H](C)c3cc(F)ccc3F)C2)cc1 ZINC000852455495 878336745 /nfs/dbraw/zinc/33/67/45/878336745.db2.gz UCIFPNAGOGOIOW-ZBFHGGJFSA-N 0 0 389.446 3.955 20 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GHCDRN CCOc1ccc2cc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)[nH]c2c1 ZINC000068529883 878682992 /nfs/dbraw/zinc/68/29/92/878682992.db2.gz ZBGLKUUIBLSWON-MRXNPFEDSA-N 0 0 393.487 3.894 20 10 GHCDRN Cc1cccc(OCCCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000068535669 878686046 /nfs/dbraw/zinc/68/60/46/878686046.db2.gz CNHPFAOXKLAGRB-UHFFFAOYSA-N 0 0 382.504 3.649 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccccc2Br)c1 ZINC000170880213 878705609 /nfs/dbraw/zinc/70/56/09/878705609.db2.gz RIMDJPRVRJWXON-LLVKDONJSA-N 0 0 379.254 3.724 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2cccc(Br)c2)c1 ZINC000170880186 878705817 /nfs/dbraw/zinc/70/58/17/878705817.db2.gz AYGSFJLZWYSDFN-NSHDSACASA-N 0 0 379.254 3.724 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@H](N3CCCC3=O)C2)c(C)n1-c1ccccc1C ZINC000111057574 878786446 /nfs/dbraw/zinc/78/64/46/878786446.db2.gz FQHKBVAPERXFQE-IBGZPJMESA-N 0 0 379.504 3.630 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000853253713 878936372 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CC(=O)N1CCN(c2ccc(CNc3cc(Cl)c4ncccc4n3)cc2)CC1 ZINC000853519715 879080313 /nfs/dbraw/zinc/08/03/13/879080313.db2.gz IJBXEIFNAOOTEQ-UHFFFAOYSA-N 0 0 395.894 3.564 20 10 GHCDRN C[C@H]1CN(c2ccccc2F)CCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000789589468 879086042 /nfs/dbraw/zinc/08/60/42/879086042.db2.gz LZHFSRLZSLACPU-KRWDZBQOSA-N 0 0 387.474 3.512 20 10 GHCDRN Cc1cc(F)ccc1-n1ccc(C(=O)NCCCSc2nccs2)n1 ZINC000180683698 879193842 /nfs/dbraw/zinc/19/38/42/879193842.db2.gz NCLSNTDBFNLWME-UHFFFAOYSA-N 0 0 376.482 3.689 20 10 GHCDRN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1Cc1cc(Cl)cc(OC)c1O ZINC000789773783 879288887 /nfs/dbraw/zinc/28/88/87/879288887.db2.gz DCHZOVGWIFBVKO-IRXDYDNUSA-N 0 0 375.852 3.933 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000789836484 879294863 /nfs/dbraw/zinc/29/48/63/879294863.db2.gz MZMLPPUTGGIRLL-ZDUSSCGKSA-N 0 0 384.432 3.892 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)cc1 ZINC000853817259 879305792 /nfs/dbraw/zinc/30/57/92/879305792.db2.gz BQPIMZCKYLCCAS-LBPRGKRZSA-N 0 0 390.827 3.657 20 10 GHCDRN COc1ccc([C@@H]2NC(=O)N([C@H](C)c3ccc(N(C)C)cc3)C2=O)cc1Cl ZINC000761576276 879316367 /nfs/dbraw/zinc/31/63/67/879316367.db2.gz BBTGVOGRLBWTQX-XIKOKIGWSA-N 0 0 387.867 3.769 20 10 GHCDRN CCC[C@@H](CCCS(C)(=O)=O)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000789917719 879331927 /nfs/dbraw/zinc/33/19/27/879331927.db2.gz YMAVUZNLDFAOLD-IBGZPJMESA-N 0 0 394.581 3.534 20 10 GHCDRN C[C@H](NC(=O)NC(C)(C)c1cccc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000152532937 879357792 /nfs/dbraw/zinc/35/77/92/879357792.db2.gz QLAAJVFYCMGIHJ-INIZCTEOSA-N 0 0 385.483 3.958 20 10 GHCDRN CC[C@H](C)Oc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccn1 ZINC000180808940 879367394 /nfs/dbraw/zinc/36/73/94/879367394.db2.gz HPNAAOOETPDOFD-LPHOPBHVSA-N 0 0 384.476 3.786 20 10 GHCDRN O=[N+]([O-])c1ccc(NCc2ccc(N3CCC(O)CC3)cc2)c(OC(F)F)c1 ZINC000853955523 879398779 /nfs/dbraw/zinc/39/87/79/879398779.db2.gz QMEDELFWPZMBLR-UHFFFAOYSA-N 0 0 393.390 3.769 20 10 GHCDRN CS(=O)(=O)c1ccc(/C=C2\SC(=S)N(c3ccsc3)C2=O)cc1 ZINC000790108419 879444359 /nfs/dbraw/zinc/44/43/59/879444359.db2.gz PFRQSMKSNHKDIX-JYRVWZFOSA-N 0 0 381.525 3.557 20 10 GHCDRN COc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1Br ZINC000746880255 879464985 /nfs/dbraw/zinc/46/49/85/879464985.db2.gz ZONGPQRWOGQCJF-UHFFFAOYSA-N 0 0 389.293 3.770 20 10 GHCDRN COCCN(C)c1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cn1 ZINC000790101495 879466485 /nfs/dbraw/zinc/46/64/85/879466485.db2.gz OQTRLIFEJUSXCW-VBKFSLOCSA-N 0 0 385.514 3.570 20 10 GHCDRN CCC(=O)c1cccc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1 ZINC000152623418 879479500 /nfs/dbraw/zinc/47/95/00/879479500.db2.gz YZDDJXMTAORKCJ-UHFFFAOYSA-N 0 0 385.439 3.781 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CCCc2c(F)cccc21 ZINC000854097107 879527537 /nfs/dbraw/zinc/52/75/37/879527537.db2.gz ACTNRSYIKPQBLK-JOCHJYFZSA-N 0 0 397.494 3.664 20 10 GHCDRN O=S(=O)(c1cc(Cl)ccc1F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000790214341 879534859 /nfs/dbraw/zinc/53/48/59/879534859.db2.gz RGLMIOWNDBRMDW-OAHLLOKOSA-N 0 0 399.871 3.555 20 10 GHCDRN C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000180978860 879553371 /nfs/dbraw/zinc/55/33/71/879553371.db2.gz ZTVUXJZOXXKLJV-AHAUYKDXSA-N 0 0 381.350 3.930 20 10 GHCDRN CC(C)(C)c1cnc(SCCN(Cc2ccccc2)S(C)(=O)=O)s1 ZINC000790264317 879578878 /nfs/dbraw/zinc/57/88/78/879578878.db2.gz JWJYMELNRFAMTH-UHFFFAOYSA-N 0 0 384.592 3.995 20 10 GHCDRN O=S1(=O)CC(CCSc2ncc(-c3ccccc3)n2Cc2ccco2)C1 ZINC000790315199 879594298 /nfs/dbraw/zinc/59/42/98/879594298.db2.gz UBHCUCNCZWGZKU-UHFFFAOYSA-N 0 0 388.514 3.718 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000181025377 879624472 /nfs/dbraw/zinc/62/44/72/879624472.db2.gz KZXDKQFZNWLMIH-FNORWQNLSA-N 0 0 377.362 3.978 20 10 GHCDRN C[C@@H](NC(=O)c1ncoc1-c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000112008892 879636112 /nfs/dbraw/zinc/63/61/12/879636112.db2.gz WFGCDUSJKQDEQB-MRXNPFEDSA-N 0 0 377.444 3.669 20 10 GHCDRN CC[C@@H](Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1)c1ccc(F)cc1O 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COc1ccc(N2CC[C@@H](NC(=O)c3csc(Br)c3C)C2)cc1 ZINC000855225017 880369987 /nfs/dbraw/zinc/36/99/87/880369987.db2.gz HQAWZAAAAWORSO-GFCCVEGCSA-N 0 0 395.322 3.836 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000855228377 880373150 /nfs/dbraw/zinc/37/31/50/880373150.db2.gz BFHGKAPMNCLHCG-INIZCTEOSA-N 0 0 378.394 3.652 20 10 GHCDRN CC[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)OC(C)(C)C ZINC000791442974 880408744 /nfs/dbraw/zinc/40/87/44/880408744.db2.gz NAVYUIDXUVYAMK-HNNXBMFYSA-N 0 0 376.478 3.593 20 10 GHCDRN O=C(OCCCCCF)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC000791493985 880449757 /nfs/dbraw/zinc/44/97/57/880449757.db2.gz LOTZSBKNLPOJQS-UHFFFAOYSA-N 0 0 385.347 3.667 20 10 GHCDRN CCC[C@H](NC(=O)[C@H](C)OC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000772775604 880523464 /nfs/dbraw/zinc/52/34/64/880523464.db2.gz NPBLYCWUWVTWIQ-NUNBJPPLSA-N 0 0 383.444 3.700 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc2c(C(F)F)nn(C)c2s1 ZINC000791593519 880559752 /nfs/dbraw/zinc/55/97/52/880559752.db2.gz LOEUOGBGYOAWAL-UHFFFAOYSA-N 0 0 378.448 3.877 20 10 GHCDRN C[C@@H](NC(=O)COC(=O)/C=C\c1ccc(O)c(O)c1)c1cccc2ccccc21 ZINC000772777701 880565367 /nfs/dbraw/zinc/56/53/67/880565367.db2.gz XQNVIVDEQFWEPN-KUGGDMIFSA-N 0 0 391.423 3.685 20 10 GHCDRN COC(=O)c1c(CN2CCc3cc(F)c(F)cc3C2)c2cc(F)ccc2n1C ZINC001183525125 912583670 /nfs/dbraw/zinc/58/36/70/912583670.db2.gz CCUSOEFYYAVJBL-UHFFFAOYSA-N 0 0 388.389 3.941 20 10 GHCDRN CCS[C@@H]1CCCC[C@@H]1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761601833 880628595 /nfs/dbraw/zinc/62/85/95/880628595.db2.gz WKDZTWRFQHLOKQ-GOEBONIOSA-N 0 0 382.913 3.874 20 10 GHCDRN Cc1cc(C(=O)OC[C@@H]2CCCS(=O)(=O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000791753820 880684853 /nfs/dbraw/zinc/68/48/53/880684853.db2.gz IKTNIUIUQODQHE-HNNXBMFYSA-N 0 0 395.908 3.729 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1coc(C2CC2)n1 ZINC000776835788 880739586 /nfs/dbraw/zinc/73/95/86/880739586.db2.gz KLRWBMABWMHTAK-UHFFFAOYSA-N 0 0 377.391 3.552 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)Nc3ccn(C4CCOCC4)n3)c2C)cc1 ZINC000855863588 880829321 /nfs/dbraw/zinc/82/93/21/880829321.db2.gz KERUNOKAFWIPEH-UHFFFAOYSA-N 0 0 394.475 3.903 20 10 GHCDRN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000792036795 880887602 /nfs/dbraw/zinc/88/76/02/880887602.db2.gz YEQUACDHTXUOCQ-CZUORRHYSA-N 0 0 387.471 3.722 20 10 GHCDRN Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3c([O-])ccc(Cl)c3F)C2)nc1 ZINC000792162080 880929027 /nfs/dbraw/zinc/92/90/27/880929027.db2.gz BMNKAELSJGOKBF-ZDUSSCGKSA-N 0 0 377.847 3.739 20 10 GHCDRN CCC[C@@H](NC(=O)NCCCSc1nccs1)[C@H](O)c1ccccc1 ZINC000792129378 880929498 /nfs/dbraw/zinc/92/94/98/880929498.db2.gz UZXGPOSCZGSFEO-HZPDHXFCSA-N 0 0 379.551 3.827 20 10 GHCDRN CCc1ccc([C@H]2CN(Cc3ccc(N4CCOCC4)c(F)c3)CCO2)cc1 ZINC000792191201 880978949 /nfs/dbraw/zinc/97/89/49/880978949.db2.gz XLWQSOPUDRREAI-HSZRJFAPSA-N 0 0 384.495 3.798 20 10 GHCDRN CCOC(=O)c1csc([C@H]2CCCN2Cc2ccc(OCC)cc2O)n1 ZINC000792195855 880981914 /nfs/dbraw/zinc/98/19/14/880981914.db2.gz GDWFXDSXSFEEQI-MRXNPFEDSA-N 0 0 376.478 3.761 20 10 GHCDRN CN(C)c1ccc([C@H](CNC(=O)C(C)(C)C(F)F)NC(=O)OC(C)(C)C)cc1 ZINC000792200716 880984318 /nfs/dbraw/zinc/98/43/18/880984318.db2.gz XWJWLEAHXNMWFN-HNNXBMFYSA-N 0 0 399.482 3.726 20 10 GHCDRN CC[C@H](C)n1ncc(NC(=O)C(=O)N(C)Cc2ccc(N(CC)CC)cc2)c1C ZINC000792206912 880986960 /nfs/dbraw/zinc/98/69/60/880986960.db2.gz QVVKUNNUOIRJAF-INIZCTEOSA-N 0 0 399.539 3.606 20 10 GHCDRN CC[C@@H](C)n1ncc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1C ZINC000792278566 881009118 /nfs/dbraw/zinc/00/91/18/881009118.db2.gz CGIVCLKMKIVRRK-OAHLLOKOSA-N 0 0 397.523 3.907 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@@H](CN3CCCC3=O)C2)c(C)n1-c1cccc(Cl)c1 ZINC000856179302 881017155 /nfs/dbraw/zinc/01/71/55/881017155.db2.gz XDHYQUZLXGGLLG-KRWDZBQOSA-N 0 0 399.922 3.832 20 10 GHCDRN Cc1[nH]c2ccc(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)cc2c1C ZINC000856208925 881042967 /nfs/dbraw/zinc/04/29/67/881042967.db2.gz ZMJRNMVHJHGDLT-UHFFFAOYSA-N 0 0 377.488 3.676 20 10 GHCDRN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000856210303 881043251 /nfs/dbraw/zinc/04/32/51/881043251.db2.gz WVJPCGGFVXNYQV-IERDGZPVSA-N 0 0 382.504 3.613 20 10 GHCDRN Cc1cc(C)c(/C=C\C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1C ZINC000856210266 881043724 /nfs/dbraw/zinc/04/37/24/881043724.db2.gz UYXJTBLUGUQDEP-TWGQIWQCSA-N 0 0 378.516 3.903 20 10 GHCDRN CCSCc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000856210452 881044286 /nfs/dbraw/zinc/04/42/86/881044286.db2.gz CBLGVLYLHYPXBD-UHFFFAOYSA-N 0 0 384.545 3.831 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cc2ccc(Cl)cc2[nH]1 ZINC000856210310 881044729 /nfs/dbraw/zinc/04/47/29/881044729.db2.gz XEVLHCLUMVXQQM-UHFFFAOYSA-N 0 0 383.879 3.712 20 10 GHCDRN C[C@H](SCc1ccccc1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856211050 881045729 /nfs/dbraw/zinc/04/57/29/881045729.db2.gz XTGNZPSRPYZSEI-KRWDZBQOSA-N 0 0 384.545 3.586 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(C)nn2Cc2ccccc2)c1 ZINC000103503193 881238542 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COc1c(F)cc(F)cc1NC(=O)NCc1cc(Br)ccc1O ZINC000806350835 884612552 /nfs/dbraw/zinc/61/25/52/884612552.db2.gz YINNCSGJMDTQMD-UHFFFAOYSA-N 0 0 387.180 3.763 20 10 GHCDRN Cc1c(C(F)(F)F)nn(C)c1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000806421501 884659006 /nfs/dbraw/zinc/65/90/06/884659006.db2.gz UJNTUYOEKDXBIH-UHFFFAOYSA-N 0 0 382.386 3.653 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1 ZINC000117499944 884686963 /nfs/dbraw/zinc/68/69/63/884686963.db2.gz ZRUUQZMFTLXDFV-IBGZPJMESA-N 0 0 397.519 3.991 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N[C@H]3CCC[C@H](SC)C3)CC2)cc1 ZINC000117490249 884687026 /nfs/dbraw/zinc/68/70/26/884687026.db2.gz JRTYJJDZLJDISS-LPHOPBHVSA-N 0 0 377.554 3.637 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)c1 ZINC000860456554 884692071 /nfs/dbraw/zinc/69/20/71/884692071.db2.gz CYVIDCLUMMCJOM-UHFFFAOYSA-N 0 0 395.381 3.623 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC[C@@H]2[C@H]2CCCC2=O)cc1 ZINC000860482861 884725274 /nfs/dbraw/zinc/72/52/74/884725274.db2.gz HFBAOGVMYKVCHN-FGZHOGPDSA-N 0 0 392.499 3.809 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000806510632 884777712 /nfs/dbraw/zinc/77/77/12/884777712.db2.gz YNDVXZBSVMRSFI-MRXNPFEDSA-N 0 0 389.540 3.652 20 10 GHCDRN CC(=O)c1cc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1F ZINC000806581354 884799685 /nfs/dbraw/zinc/79/96/85/884799685.db2.gz LSTGVMNEMNJMQY-AWEZNQCLSA-N 0 0 385.439 3.748 20 10 GHCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCO[C@H](C2CC2)C1 ZINC000777145413 884801233 /nfs/dbraw/zinc/80/12/33/884801233.db2.gz VJTLFRHJBAXFQL-IBGZPJMESA-N 0 0 378.432 3.678 20 10 GHCDRN COCCN(Cc1nc(-c2cccc(C)c2)no1)c1ccc(OC)c(OC)c1 ZINC000174799408 884814970 /nfs/dbraw/zinc/81/49/70/884814970.db2.gz FNCFGCSUELITQL-UHFFFAOYSA-N 0 0 383.448 3.715 20 10 GHCDRN Cc1cc(C(=O)OCC(=O)N(C)CC2CCCCC2)c(C)n1-c1ccccn1 ZINC000919077847 884849512 /nfs/dbraw/zinc/84/95/12/884849512.db2.gz YSKCUMRASWCHPR-UHFFFAOYSA-N 0 0 383.492 3.685 20 10 GHCDRN C[C@H](NC(=O)[C@@]1(C)CCCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000154893121 884869844 /nfs/dbraw/zinc/86/98/44/884869844.db2.gz LWQXWPBSTGHAMQ-UUOWRZLLSA-N 0 0 378.516 3.995 20 10 GHCDRN CCc1cnccc1CNC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC000860648665 884878959 /nfs/dbraw/zinc/87/89/59/884878959.db2.gz HYRIKMZIOXLFCI-UHFFFAOYSA-N 0 0 375.472 3.723 20 10 GHCDRN C[C@@H]1C[C@H]1c1ccc(CCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000761864864 884900381 /nfs/dbraw/zinc/90/03/81/884900381.db2.gz IPKYOMZFHKDKOM-DYESRHJHSA-N 0 0 382.504 3.831 20 10 GHCDRN CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000761885893 884921707 /nfs/dbraw/zinc/92/17/07/884921707.db2.gz HROOWTGPXQWUCM-YCRPNKLZSA-N 0 0 397.431 3.530 20 10 GHCDRN CC[C@H]([NH2+][C@@H](CCSC)C(=O)N(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000806662673 884922570 /nfs/dbraw/zinc/92/25/70/884922570.db2.gz NOEQWSXGGOKVHF-STQMWFEESA-N 0 0 379.353 3.950 20 10 GHCDRN Cc1cc(C(=O)N(C)Cc2ccc3c(c2)OCCO3)c(C)n1-c1ccccn1 ZINC000914846189 884950825 /nfs/dbraw/zinc/95/08/25/884950825.db2.gz BINQQBCVENSJCQ-UHFFFAOYSA-N 0 0 377.444 3.533 20 10 GHCDRN CC(C)c1ccc(N(C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000763434211 884951742 /nfs/dbraw/zinc/95/17/42/884951742.db2.gz ZYAJKOYTTRDYCU-UHFFFAOYSA-N 0 0 399.510 3.538 20 10 GHCDRN C[C@H](NC(=O)Nc1cc(Cl)cc2c1OCC(=O)N2)c1ccc(N(C)C)cc1 ZINC000806755988 884954830 /nfs/dbraw/zinc/95/48/30/884954830.db2.gz AOASKHXHCCITBK-NSHDSACASA-N 0 0 388.855 3.620 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3cccc(F)c3Cl)CC2)cc1F ZINC000806771755 884964656 /nfs/dbraw/zinc/96/46/56/884964656.db2.gz UYBRCEOCCNOELS-UHFFFAOYSA-N 0 0 381.810 3.981 20 10 GHCDRN Cn1ncc(NC(=O)NCc2ccc3c(c2)CCCN3C)c1-c1ccccc1 ZINC000806777149 884969782 /nfs/dbraw/zinc/96/97/82/884969782.db2.gz WJEGIWAYPLGVAH-UHFFFAOYSA-N 0 0 375.476 3.791 20 10 GHCDRN COc1ccc(S[C@H](C)C(=O)N(C)CCN(C)c2ccc(OC)cc2)cc1 ZINC001130745433 884986628 /nfs/dbraw/zinc/98/66/28/884986628.db2.gz WMEDFHPMQILAMU-MRXNPFEDSA-N 0 0 388.533 3.779 20 10 GHCDRN COc1ccc(CNC(=O)Nc2ncc(Cc3ccccc3F)s2)c(O)c1 ZINC000806789173 884987389 /nfs/dbraw/zinc/98/73/89/884987389.db2.gz OBQYZPFAUICONS-UHFFFAOYSA-N 0 0 387.436 3.909 20 10 GHCDRN Cc1cc(C)cc(CCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000153387894 884993250 /nfs/dbraw/zinc/99/32/50/884993250.db2.gz KXLVIAQQEOZENH-UHFFFAOYSA-N 0 0 384.495 3.653 20 10 GHCDRN CCc1c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)cnn1C ZINC000919171272 885022979 /nfs/dbraw/zinc/02/29/79/885022979.db2.gz PDOVZQYNOWFDHI-UHFFFAOYSA-N 0 0 379.460 3.738 20 10 GHCDRN Cc1cc(C(=O)COC(=O)Cc2cnn(C)c2C)c(C)n1-c1ccc(C)c(F)c1 ZINC000795859637 912895680 /nfs/dbraw/zinc/89/56/80/912895680.db2.gz MPGCYSSFVKSDGN-UHFFFAOYSA-N 0 0 397.450 3.552 20 10 GHCDRN COC(=O)[C@@](C)(NCc1ccc(C)cc1O)c1cccc(Br)c1 ZINC001183938374 912894007 /nfs/dbraw/zinc/89/40/07/912894007.db2.gz CRNFLMQFVRMBPG-SFHVURJKSA-N 0 0 378.266 3.641 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@](C)(O)c2cccc(C(F)(F)F)c2)c1 ZINC000761982584 885085870 /nfs/dbraw/zinc/08/58/70/885085870.db2.gz NQNDXBXKQRXIMD-VOJFVSQTSA-N 0 0 383.366 3.505 20 10 GHCDRN C[C@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C[C@@H](C)C1 ZINC000806902654 885104202 /nfs/dbraw/zinc/10/42/02/885104202.db2.gz ASZNPULRTJDXMG-RUYXUALKSA-N 0 0 385.552 3.576 20 10 GHCDRN CC(C)c1noc([C@H](C)OC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)n1 ZINC000914886180 885108372 /nfs/dbraw/zinc/10/83/72/885108372.db2.gz QANBPSUAVRCREG-LBPRGKRZSA-N 0 0 390.395 3.886 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC001130826771 885210301 /nfs/dbraw/zinc/21/03/01/885210301.db2.gz JJBSZZUJXRZJEV-AWEZNQCLSA-N 0 0 379.287 3.940 20 10 GHCDRN O=C(Cc1c[nH]c2ccc(F)cc12)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000117976018 885234548 /nfs/dbraw/zinc/23/45/48/885234548.db2.gz FCEFNTDJTWCIQD-GOSISDBHSA-N 0 0 382.435 3.763 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000807097164 885238184 /nfs/dbraw/zinc/23/81/84/885238184.db2.gz MBOSXNDMRPVMLX-CTNGQTDRSA-N 0 0 393.531 3.520 20 10 GHCDRN CC(C)(Cc1ccccc1C(F)(F)F)C(=O)NCCc1cc(O)c(O)cc1O ZINC001183955046 912923816 /nfs/dbraw/zinc/92/38/16/912923816.db2.gz CTAUIGMIDLOMKV-UHFFFAOYSA-N 0 0 397.393 3.750 20 10 GHCDRN Cc1ccccc1CO[C@@H](C)C(=O)NCc1cccc(Br)c1O ZINC000861332544 885404101 /nfs/dbraw/zinc/40/41/01/885404101.db2.gz GMGFRMOHUVDACN-ZDUSSCGKSA-N 0 0 378.266 3.685 20 10 GHCDRN C[C@H](NC(=O)C(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1ccc(N(C)C)cc1 ZINC000807505961 885494251 /nfs/dbraw/zinc/49/42/51/885494251.db2.gz PVHTYEFYBQDFSG-CVAIRZPRSA-N 0 0 397.494 3.521 20 10 GHCDRN C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000807543310 885519923 /nfs/dbraw/zinc/51/99/23/885519923.db2.gz MCSHSKBHGXBPSJ-IOMROCGXSA-N 0 0 393.531 3.772 20 10 GHCDRN CCC[C@H](CCc1ccccc1)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000807589290 885553948 /nfs/dbraw/zinc/55/39/48/885553948.db2.gz VAIYSLUUJBXVHU-OAQYLSRUSA-N 0 0 395.547 3.629 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(SC(F)(F)F)nc3)C2)cc1 ZINC001131030753 885621199 /nfs/dbraw/zinc/62/11/99/885621199.db2.gz VCCISJSWEXEYJN-CYBMUJFWSA-N 0 0 397.422 3.711 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(C)c(-n4cccc4)c3)C2)cc1 ZINC001131030739 885621338 /nfs/dbraw/zinc/62/13/38/885621338.db2.gz UVXBIBMRIWODSL-LJQANCHMSA-N 0 0 375.472 3.803 20 10 GHCDRN CC(C)c1ccc(C[C@H](C)NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000807688603 885636996 /nfs/dbraw/zinc/63/69/96/885636996.db2.gz STTNVYNDMBOZFT-SFHVURJKSA-N 0 0 395.547 3.582 20 10 GHCDRN CC(C)(C)c1ccc(C(=O)NCC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000915082442 885727709 /nfs/dbraw/zinc/72/77/09/885727709.db2.gz JQBWKWDBGGBODB-UHFFFAOYSA-N 0 0 393.531 3.631 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC=C(c3ccnn3C)CC2)c1 ZINC000861661045 885738653 /nfs/dbraw/zinc/73/86/53/885738653.db2.gz MGEPTHLWRYIDBK-UHFFFAOYSA-N 0 0 388.471 3.570 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC[C@@H]2c2nc(C)no2)cc1 ZINC000861692568 885769169 /nfs/dbraw/zinc/76/91/69/885769169.db2.gz GQVSCNFJKCNIGR-HXUWFJFHSA-N 0 0 392.459 3.504 20 10 GHCDRN Cc1cc(C(=O)NCC2=CCCOC2)c(C)n1-c1ccc(Br)cc1 ZINC000807848777 885777804 /nfs/dbraw/zinc/77/78/04/885777804.db2.gz DDURNMYCKLZJCU-UHFFFAOYSA-N 0 0 389.293 3.933 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1OC1CCC1 ZINC000118494164 885794450 /nfs/dbraw/zinc/79/44/50/885794450.db2.gz RPLGWVOYKNXGKD-UHFFFAOYSA-N 0 0 398.478 3.648 20 10 GHCDRN O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000807836391 885800702 /nfs/dbraw/zinc/80/07/02/885800702.db2.gz VZWPVMWAQXOXTQ-AWEZNQCLSA-N 0 0 394.302 3.622 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(-c2nc(-c3ccc(C(=O)N(C)C)nc3)no2)cc1 ZINC000762233442 885802747 /nfs/dbraw/zinc/80/27/47/885802747.db2.gz CAXUDTVEWCKGSE-UHFFFAOYSA-N 0 0 387.443 3.908 20 10 GHCDRN Cc1cccc(N)c1NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O ZINC001184074241 912975671 /nfs/dbraw/zinc/97/56/71/912975671.db2.gz QVGRQSKKESJQBD-MRXNPFEDSA-N 0 0 385.464 3.877 20 10 GHCDRN CCOC1(C)CCN(C(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)CC1 ZINC000861800396 885871653 /nfs/dbraw/zinc/87/16/53/885871653.db2.gz NRDCMTPPTKLVHF-UHFFFAOYSA-N 0 0 382.504 3.867 20 10 GHCDRN CCCOc1cncc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1 ZINC000861820236 885893241 /nfs/dbraw/zinc/89/32/41/885893241.db2.gz SLHWGOHDMCBEKL-UHFFFAOYSA-N 0 0 396.491 3.615 20 10 GHCDRN CC(C)CN(CC(C)(C)C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000762274426 885895201 /nfs/dbraw/zinc/89/52/01/885895201.db2.gz ZJQASQSUPGQQQN-UHFFFAOYSA-N 0 0 379.520 3.876 20 10 GHCDRN CC(C)(C)Cc1nc(-c2ccc(C(=O)NCCc3ccc(O)c(O)c3)cc2)no1 ZINC000762267295 885907136 /nfs/dbraw/zinc/90/71/36/885907136.db2.gz BIENGCPYBWXFAZ-UHFFFAOYSA-N 0 0 395.459 3.709 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCC3(CC2)OCCCO3)ccc1C ZINC000861835820 885910465 /nfs/dbraw/zinc/91/04/65/885910465.db2.gz OLUXMNHHIHZNQX-UHFFFAOYSA-N 0 0 396.487 3.584 20 10 GHCDRN Cc1cc(CCNC(=O)c2cnc3ccccc3c2O)c(C)n1-c1ccccc1 ZINC000915191768 885991562 /nfs/dbraw/zinc/99/15/62/885991562.db2.gz OFXPCIYERUAHEO-UHFFFAOYSA-N 0 0 385.467 3.908 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccccc1N(C)C(=O)c1ccco1 ZINC000808094383 886012356 /nfs/dbraw/zinc/01/23/56/886012356.db2.gz MTXNTKQPMWDSNP-UHFFFAOYSA-N 0 0 399.443 3.678 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1nc(-c2cccs2)oc1C ZINC000808093489 886012426 /nfs/dbraw/zinc/01/24/26/886012426.db2.gz PEOSBKGAWUDILH-UHFFFAOYSA-N 0 0 377.462 3.762 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC(c3ccncn3)CC2)c1 ZINC000861987821 886035100 /nfs/dbraw/zinc/03/51/00/886035100.db2.gz QSLXRCXDDJQDEL-UHFFFAOYSA-N 0 0 388.471 3.716 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cc(Br)cnc1F ZINC000862002132 886045380 /nfs/dbraw/zinc/04/53/80/886045380.db2.gz LWDZPETXUGLFLD-GFCCVEGCSA-N 0 0 394.288 3.719 20 10 GHCDRN COc1ccc(C(C)(C)C(=O)NCc2ccc3cccnc3c2O)cc1OC ZINC000862027614 886063536 /nfs/dbraw/zinc/06/35/36/886063536.db2.gz YVZSMCZAOJDUGS-UHFFFAOYSA-N 0 0 380.444 3.552 20 10 GHCDRN CC(=O)CCc1ccc(OCCC(=O)NCc2ccc3cccnc3c2O)cc1 ZINC000862028200 886064884 /nfs/dbraw/zinc/06/48/84/886064884.db2.gz TXFDISRYBZGGRR-UHFFFAOYSA-N 0 0 392.455 3.547 20 10 GHCDRN Cc1cc(C(=O)NCCCc2ncnn2C)c(C)n1-c1ccc(C(C)C)cc1 ZINC000862090044 886095940 /nfs/dbraw/zinc/09/59/40/886095940.db2.gz ZOIKGHQRSGGTBS-UHFFFAOYSA-N 0 0 379.508 3.709 20 10 GHCDRN O=C(c1ccccc1)c1ccc(O)c(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c1[O-] ZINC000747470206 886159508 /nfs/dbraw/zinc/15/95/08/886159508.db2.gz ACASLDQETXWSEV-QHCPKHFHSA-N 0 0 381.472 3.721 20 10 GHCDRN COc1cc(CN2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)c(O)cc1C ZINC000808241990 886180471 /nfs/dbraw/zinc/18/04/71/886180471.db2.gz ORYCHFYRTTUJCR-ZDUSSCGKSA-N 0 0 385.386 3.924 20 10 GHCDRN O=C(Cc1cnc2ccccc2c1)NCc1ccc(N2CCSCC2)cc1 ZINC000118775876 886190324 /nfs/dbraw/zinc/19/03/24/886190324.db2.gz ZBVCXHPDJRPZMY-UHFFFAOYSA-N 0 0 377.513 3.647 20 10 GHCDRN CC(=O)c1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 ZINC000110307762 886192428 /nfs/dbraw/zinc/19/24/28/886192428.db2.gz BJPPCUPYKQMWMX-UHFFFAOYSA-N 0 0 388.414 3.889 20 10 GHCDRN CN(C)c1ccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1F ZINC000762443239 886230926 /nfs/dbraw/zinc/23/09/26/886230926.db2.gz JKKWWURROFHNLO-UHFFFAOYSA-N 0 0 377.391 3.533 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)S(=O)(=O)Cc1ccc(C)cc1 ZINC000808299472 886232988 /nfs/dbraw/zinc/23/29/88/886232988.db2.gz MGRSHYULLSBAPG-UHFFFAOYSA-N 0 0 398.322 3.815 20 10 GHCDRN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000762479110 886269446 /nfs/dbraw/zinc/26/94/46/886269446.db2.gz FFUTXBITECFHKF-BXUZGUMPSA-N 0 0 399.875 3.689 20 10 GHCDRN COC[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1cccc(Cl)c1 ZINC000808372179 886284378 /nfs/dbraw/zinc/28/43/78/886284378.db2.gz BMIRVBJATQQVAA-LJQANCHMSA-N 0 0 387.911 3.909 20 10 GHCDRN Oc1cccc(Br)c1CN1CCC(O)(c2c(F)cccc2F)CC1 ZINC000862332049 886295055 /nfs/dbraw/zinc/29/50/55/886295055.db2.gz CUGXXRCYRRKIBE-UHFFFAOYSA-N 0 0 398.247 3.917 20 10 GHCDRN CCOC(=O)[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccc(OC)c(F)c1 ZINC000862332445 886297617 /nfs/dbraw/zinc/29/76/17/886297617.db2.gz VFPPOACDOTUADA-IBGZPJMESA-N 0 0 396.409 3.573 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N[C@H](c2ccn(C)n2)c2ccc(Cl)cc2)cc1 ZINC000762571806 886420150 /nfs/dbraw/zinc/42/01/50/886420150.db2.gz OXQPOQUDXBHPAI-FQEVSTJZSA-N 0 0 397.910 3.728 20 10 GHCDRN CCC1(N2CCOCC2)CC[NH+](Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000862536654 886440714 /nfs/dbraw/zinc/44/07/14/886440714.db2.gz RCJUJGNQQKMXKK-UHFFFAOYSA-N 0 0 397.357 3.540 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)C(=O)NCc1ccccc1 ZINC000919821916 886475456 /nfs/dbraw/zinc/47/54/56/886475456.db2.gz FZPRKXGFEVJOFO-MRXNPFEDSA-N 0 0 381.501 3.590 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@@H]1CCCN(C(=O)OCC)C1 ZINC000777268186 886504418 /nfs/dbraw/zinc/50/44/18/886504418.db2.gz YLZDPLQVSQEZEQ-IAGOWNOFSA-N 0 0 391.512 3.571 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000762642871 886585746 /nfs/dbraw/zinc/58/57/46/886585746.db2.gz NVRUMOVEORIGQR-HEHGZKQESA-N 0 0 379.457 3.597 20 10 GHCDRN CCc1c(C(=O)NCc2cc(C)ccc2O)nnn1-c1ccc(OC(C)C)cc1 ZINC000862759529 886587150 /nfs/dbraw/zinc/58/71/50/886587150.db2.gz FPBUFIHAUSPNDB-UHFFFAOYSA-N 0 0 394.475 3.561 20 10 GHCDRN CCCCCn1nc(C(=O)NCc2cc(C)ccc2O)c2ccccc2c1=O ZINC000862761578 886588373 /nfs/dbraw/zinc/58/83/73/886588373.db2.gz UALDYTSKMPIXIY-UHFFFAOYSA-N 0 0 379.460 3.531 20 10 GHCDRN COc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3cc(Cl)cc(C)c3O)C2=O)cc1 ZINC000808707543 886687636 /nfs/dbraw/zinc/68/76/36/886687636.db2.gz RQZBQVWEIGOZPH-IFXJQAMLSA-N 0 0 388.895 3.814 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000862842647 886694421 /nfs/dbraw/zinc/69/44/21/886694421.db2.gz GLUIDINMXHLATJ-MAUKXSAKSA-N 0 0 397.519 3.929 20 10 GHCDRN CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3cc(Br)cc(F)c3[O-])[C@@H]2C1 ZINC000808723723 886707396 /nfs/dbraw/zinc/70/73/96/886707396.db2.gz PZCXHNQHKJUXQP-ZDXROJMESA-N 0 0 399.304 3.591 20 10 GHCDRN CN(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCC(C)(C)CC1 ZINC000119164643 886750867 /nfs/dbraw/zinc/75/08/67/886750867.db2.gz DCZOHFLJPVLWIO-UHFFFAOYSA-N 0 0 377.504 3.773 20 10 GHCDRN CC(C)(C)CCCCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000103874783 913079494 /nfs/dbraw/zinc/07/94/94/913079494.db2.gz LAXVSPNOIYUJDL-UHFFFAOYSA-N 0 0 379.520 3.802 20 10 GHCDRN Cc1cc(CNC(=O)CSc2nncn2C(C)C)c(C)n1-c1cccc(C)c1 ZINC000863163020 886897973 /nfs/dbraw/zinc/89/79/73/886897973.db2.gz KYUXHIBJBMGDIM-UHFFFAOYSA-N 0 0 397.548 3.983 20 10 GHCDRN O=C(Nc1cccc2c1COC2=O)N(Cc1ccco1)Cc1ccccc1O ZINC000808907772 886915745 /nfs/dbraw/zinc/91/57/45/886915745.db2.gz XGJDMWWFHAQHGF-UHFFFAOYSA-N 0 0 378.384 3.890 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CC[C@@H](C)NC1)c1cc(Br)cc(Br)c1[O-] ZINC000863546700 887205653 /nfs/dbraw/zinc/20/56/53/887205653.db2.gz MYRFRTYDRKSGGT-KKZNHRDASA-N 0 0 392.135 3.708 20 10 GHCDRN C[C@H]([NH2+][C@H]1CC[C@@H](C)NC1)c1cc(Br)cc(Br)c1[O-] ZINC000863546703 887205956 /nfs/dbraw/zinc/20/59/56/887205956.db2.gz MYRFRTYDRKSGGT-YWVKMMECSA-N 0 0 392.135 3.708 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(C(N)=O)cc1F ZINC000747550463 887253894 /nfs/dbraw/zinc/25/38/94/887253894.db2.gz MPFWGMIGMDUUFI-UHFFFAOYSA-N 0 0 384.455 3.579 20 10 GHCDRN COCC(=O)Nc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1 ZINC000729633183 887275178 /nfs/dbraw/zinc/27/51/78/887275178.db2.gz ZYQBTRGXTFYCAA-UHFFFAOYSA-N 0 0 398.507 3.780 20 10 GHCDRN O=C(NCCCSc1nccs1)NCCc1c[nH]c2ccc(F)cc12 ZINC000153677076 887275502 /nfs/dbraw/zinc/27/55/02/887275502.db2.gz FAUUYKHDAVDXJG-UHFFFAOYSA-N 0 0 378.498 3.788 20 10 GHCDRN Cc1cc(C2(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)CCOCC2)on1 ZINC000863713810 887318576 /nfs/dbraw/zinc/31/85/76/887318576.db2.gz MNPDZPPDRYLNPU-UHFFFAOYSA-N 0 0 379.460 3.826 20 10 GHCDRN CCCC(=O)NC1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CC1 ZINC000915704135 887345620 /nfs/dbraw/zinc/34/56/20/887345620.db2.gz PUUPYLBPECFSOW-UHFFFAOYSA-N 0 0 397.519 3.624 20 10 GHCDRN Cc1cc(CCNC(=O)C(=O)Nc2ccccc2F)c(C)n1-c1ccccc1 ZINC000915748800 887393928 /nfs/dbraw/zinc/39/39/28/887393928.db2.gz KXRQPLXNRNGCNM-UHFFFAOYSA-N 0 0 379.435 3.531 20 10 GHCDRN CCN(CC)c1ccc(CNc2ccc(S(=O)(=O)N(C)C)cc2)cc1F ZINC000863990483 887506392 /nfs/dbraw/zinc/50/63/92/887506392.db2.gz CFPWQIAMZARMLG-UHFFFAOYSA-N 0 0 379.501 3.534 20 10 GHCDRN CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CCN(C(=O)c2cccc(O)c2O)C1 ZINC000828007108 887517533 /nfs/dbraw/zinc/51/75/33/887517533.db2.gz JGLDMABTZSHKRA-NRFANRHFSA-N 0 0 392.496 3.501 20 10 GHCDRN CN(C)c1cc(F)c(CNc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1F ZINC000864016321 887521109 /nfs/dbraw/zinc/52/11/09/887521109.db2.gz XTBNFNYMRULVJO-UHFFFAOYSA-N 0 0 397.491 3.720 20 10 GHCDRN CS(=O)(=O)Nc1ccc(O)c(-c2nc(-c3ccc4ccccc4c3)no2)c1 ZINC000809534187 887521688 /nfs/dbraw/zinc/52/16/88/887521688.db2.gz DJPOELHKGNOXGY-UHFFFAOYSA-N 0 0 381.413 3.634 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCCC[C@H]1c1ccccc1 ZINC000763015356 887553826 /nfs/dbraw/zinc/55/38/26/887553826.db2.gz YRBVTBIWUWBJSD-QFIPXVFZSA-N 0 0 379.504 3.960 20 10 GHCDRN CCC(C)(CC)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000763078713 887629468 /nfs/dbraw/zinc/62/94/68/887629468.db2.gz ZMEZEHBEORNBIQ-UHFFFAOYSA-N 0 0 387.446 3.920 20 10 GHCDRN c1ccc(CN2CCc3cc(CN4CCOC[C@H]4[C@H]4CCCO4)ccc32)cc1 ZINC000809698000 887678292 /nfs/dbraw/zinc/67/82/92/887678292.db2.gz SZRYPIQGMODXAL-BJKOFHAPSA-N 0 0 378.516 3.629 20 10 GHCDRN CCOc1ccc(NCc2cc(F)ccc2O)cc1S(=O)(=O)N(CC)CC ZINC000809682141 887701264 /nfs/dbraw/zinc/70/12/64/887701264.db2.gz FDARVGXRTZPAPE-UHFFFAOYSA-N 0 0 396.484 3.573 20 10 GHCDRN O=C([C@@H]1C[C@H](c2ccccc2)OC1=O)N(Cc1ccco1)Cc1ccccc1O ZINC000809684192 887702935 /nfs/dbraw/zinc/70/29/35/887702935.db2.gz QYUXVWIUEGXOMM-PZJWPPBQSA-N 0 0 391.423 3.818 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@](O)(c1ccc(C)o1)C(F)(F)F ZINC000120069116 887779174 /nfs/dbraw/zinc/77/91/74/887779174.db2.gz XTVIXBQLGZPQJR-LJQANCHMSA-N 0 0 398.425 3.843 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809914158 887937812 /nfs/dbraw/zinc/93/78/12/887937812.db2.gz HJLOUFOUDRSTGB-UHFFFAOYSA-N 0 0 376.800 3.745 20 10 GHCDRN Cc1sc(NC(=O)c2cccc(O)c2O)nc1-c1ccc2c(c1)CCC(=O)N2 ZINC000794743034 887978171 /nfs/dbraw/zinc/97/81/71/887978171.db2.gz MIBIFUDXWLRPIN-UHFFFAOYSA-N 0 0 395.440 3.667 20 10 GHCDRN CO[C@@H](C)c1nsc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000809928485 887980807 /nfs/dbraw/zinc/98/08/07/887980807.db2.gz KQJPAZZQLPCEGJ-AWEZNQCLSA-N 0 0 389.525 3.900 20 10 GHCDRN CCOCCCCCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000864931976 888084188 /nfs/dbraw/zinc/08/41/88/888084188.db2.gz RLPNXFMNARSOEX-CALCHBBNSA-N 0 0 380.504 3.652 20 10 GHCDRN Cc1cn(C2CCOCC2)nc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000864948765 888096937 /nfs/dbraw/zinc/09/69/37/888096937.db2.gz CKANQTKENQFDOM-UHFFFAOYSA-N 0 0 384.524 3.660 20 10 GHCDRN COc1cc(F)c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(Cl)c1 ZINC000865018616 888140059 /nfs/dbraw/zinc/14/00/59/888140059.db2.gz NBWXDDYZZJESKM-ZDUSSCGKSA-N 0 0 392.858 3.815 20 10 GHCDRN Cc1cnn([C@@H]2CCN(CC(=O)c3cc(C)n(-c4cccc(F)c4)c3C)C2)c1 ZINC000810124888 888186829 /nfs/dbraw/zinc/18/68/29/888186829.db2.gz YPCKADSLAHWTDB-HXUWFJFHSA-N 0 0 380.467 3.868 20 10 GHCDRN C[C@@H](NC(=O)N1CC[C@H](c2ccccc2)C1)c1ccc(N2CCOCC2)cc1 ZINC000120392289 888193270 /nfs/dbraw/zinc/19/32/70/888193270.db2.gz VVIGJEIKXNRBDZ-NQIIRXRSSA-N 0 0 379.504 3.783 20 10 GHCDRN Cc1sc(Br)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1C ZINC000282132866 888343674 /nfs/dbraw/zinc/34/36/74/888343674.db2.gz BLSXJUURNGRLNR-QMMMGPOBSA-N 0 0 384.295 3.900 20 10 GHCDRN CN(C)c1ccc(CNC(=O)Nc2cnc(Cl)c(Br)c2)cc1 ZINC000763267664 888415626 /nfs/dbraw/zinc/41/56/26/888415626.db2.gz NLCVNNVGGLUVQT-UHFFFAOYSA-N 0 0 383.677 3.885 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccncc1Br ZINC000763280283 888441750 /nfs/dbraw/zinc/44/17/50/888441750.db2.gz RXBKOFCMWGEDIW-UHFFFAOYSA-N 0 0 376.298 3.961 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)C3(c4ccccc4)CC(=O)C3)cc2)CC1 ZINC000810370559 888466213 /nfs/dbraw/zinc/46/62/13/888466213.db2.gz YDMFXMJXIMLHOJ-UHFFFAOYSA-N 0 0 376.500 3.840 20 10 GHCDRN C[C@@H](NC(=O)C(=O)Nc1ccc(-c2ccccn2)cc1)c1ccc(N(C)C)cc1 ZINC000810387887 888475585 /nfs/dbraw/zinc/47/55/85/888475585.db2.gz JYNBIERABCHVIA-MRXNPFEDSA-N 0 0 388.471 3.631 20 10 GHCDRN COc1ccc(OC)c(CC(=O)NCc2cc(C)n(-c3ccccc3)c2C)c1 ZINC001132264436 888487265 /nfs/dbraw/zinc/48/72/65/888487265.db2.gz RBENQEVWRNTPAL-UHFFFAOYSA-N 0 0 378.472 3.970 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000915885155 888498358 /nfs/dbraw/zinc/49/83/58/888498358.db2.gz SWDRPDGVXVEKEP-QFIPXVFZSA-N 0 0 379.504 3.742 20 10 GHCDRN Cc1cc(O)ccc1NS(=O)(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000794868059 888580837 /nfs/dbraw/zinc/58/08/37/888580837.db2.gz RARMAJCIRRHUDF-UHFFFAOYSA-N 0 0 396.262 3.638 20 10 GHCDRN Nc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000237989859 888701741 /nfs/dbraw/zinc/70/17/41/888701741.db2.gz WZCPYLXKDFRUGP-INIZCTEOSA-N 0 0 378.259 3.819 20 10 GHCDRN Cc1cc(C(C)(C)C(=O)NCCc2ccc(O)c(O)c2)ccc1Br ZINC000810628855 888720919 /nfs/dbraw/zinc/72/09/19/888720919.db2.gz UMOQLIISOPGXLL-UHFFFAOYSA-N 0 0 392.293 3.805 20 10 GHCDRN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000810687739 888778151 /nfs/dbraw/zinc/77/81/51/888778151.db2.gz XOCGDEARVMEZRO-JTQLQIEISA-N 0 0 388.821 3.807 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ncccc1OC(C)C ZINC000121009177 888832435 /nfs/dbraw/zinc/83/24/35/888832435.db2.gz GSAXEQVTBZVSRR-UHFFFAOYSA-N 0 0 393.281 3.999 20 10 GHCDRN Cc1cc(CCNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c(C)n1-c1ccccc1 ZINC000916221514 888841806 /nfs/dbraw/zinc/84/18/06/888841806.db2.gz YQUFCVKFKJGNNC-XZOQPEGZSA-N 0 0 389.499 3.594 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC000866603834 888963763 /nfs/dbraw/zinc/96/37/63/888963763.db2.gz REGFWRBUIKFSGI-JKSUJKDBSA-N 0 0 382.298 3.566 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2cn(CC(F)(F)F)nc2C)cc1F ZINC000763371462 888975608 /nfs/dbraw/zinc/97/56/08/888975608.db2.gz VTLHNFYGGBVSFJ-UHFFFAOYSA-N 0 0 386.393 3.669 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cc2csc(CCC(F)(F)F)n2)c1 ZINC000866765039 889031072 /nfs/dbraw/zinc/03/10/72/889031072.db2.gz QBRCCIIQBWRQBW-SNVBAGLBSA-N 0 0 388.411 3.772 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000867831042 889183673 /nfs/dbraw/zinc/18/36/73/889183673.db2.gz OAZWMWZELNGPOC-ONXXMXGDSA-N 0 0 380.282 3.556 20 10 GHCDRN COC(=O)/C=C\c1ccc(N2CC[C@@H](c3ccc(OC)cc3)C2)c([N+](=O)[O-])c1 ZINC000207022662 889212982 /nfs/dbraw/zinc/21/29/82/889212982.db2.gz QXJLXKDZWQRNDL-BOHLGEJMSA-N 0 0 382.416 3.784 20 10 GHCDRN CCN(Cc1nc(-c2ccc(OC)cc2OC)no1)c1ccc(OC)c(OC)c1 ZINC000747681217 889245057 /nfs/dbraw/zinc/24/50/57/889245057.db2.gz JWVVFJIYJHEGGT-UHFFFAOYSA-N 0 0 399.447 3.798 20 10 GHCDRN O=C(NCc1ncc(Br)s1)NCc1ccc(N2CCCC2)cc1 ZINC000868111535 889299158 /nfs/dbraw/zinc/29/91/58/889299158.db2.gz CXZGXPCLWQJGAX-UHFFFAOYSA-N 0 0 395.326 3.505 20 10 GHCDRN COc1ccc(N2CCN(Cc3nc(-c4cccc(C)c4)no3)CC2)cc1F ZINC000122042622 889349297 /nfs/dbraw/zinc/34/92/97/889349297.db2.gz QGMOEQOSBDEWLW-UHFFFAOYSA-N 0 0 382.439 3.515 20 10 GHCDRN CSc1cccc(-n2c(C)cc(C(=O)COC(=O)Cc3cncnc3)c2C)c1 ZINC000811330693 889451469 /nfs/dbraw/zinc/45/14/69/889451469.db2.gz ODIMEFLYNPEHQL-UHFFFAOYSA-N 0 0 395.484 3.575 20 10 GHCDRN CN(CCc1cccc(Br)c1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000795026122 889529543 /nfs/dbraw/zinc/52/95/43/889529543.db2.gz JGHTXZKBMQBOEI-SOFGYWHQSA-N 0 0 376.250 3.575 20 10 GHCDRN C[C@@H](NC(=O)NCc1cccc(COC[C@@H]2CCCO2)c1)c1ccccc1O ZINC000868791681 889598973 /nfs/dbraw/zinc/59/89/73/889598973.db2.gz SBENKCJZJOJHEZ-APWZRJJASA-N 0 0 384.476 3.648 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cn2ccc(Br)cc2n1 ZINC000811490595 889641915 /nfs/dbraw/zinc/64/19/15/889641915.db2.gz RSKAYNDYGDVQEB-UHFFFAOYSA-N 0 0 387.281 3.562 20 10 GHCDRN COC(=O)c1cc(C(C)(C)NCc2ccc(OCc3ccccc3)cc2O)no1 ZINC000811512570 889706628 /nfs/dbraw/zinc/70/66/28/889706628.db2.gz FIHYHLBTSVYIBF-UHFFFAOYSA-N 0 0 396.443 3.771 20 10 GHCDRN CC(C)OC1CCC(NC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000122418736 889760665 /nfs/dbraw/zinc/76/06/65/889760665.db2.gz LJYVXJAYAZSCMT-UHFFFAOYSA-N 0 0 391.581 3.775 20 10 GHCDRN COc1ccc(N2CCN(C(=O)N[C@@H](C)c3cc4cnccc4o3)CC2)cc1F ZINC000869201948 889826033 /nfs/dbraw/zinc/82/60/33/889826033.db2.gz XMQSXBBZIPLCTM-AWEZNQCLSA-N 0 0 398.438 3.568 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3c(F)cc(OC)cc3Cl)C2)cc1 ZINC000869227596 889839792 /nfs/dbraw/zinc/83/97/92/889839792.db2.gz AERAOZRVXDOBOS-GFCCVEGCSA-N 0 0 378.831 3.505 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3c(F)cc(OC)cc3Cl)C2)cc1 ZINC000869227597 889839945 /nfs/dbraw/zinc/83/99/45/889839945.db2.gz AERAOZRVXDOBOS-LBPRGKRZSA-N 0 0 378.831 3.505 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)C2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000811730079 889928122 /nfs/dbraw/zinc/92/81/22/889928122.db2.gz HLGOLHLCQGVNEW-YADHBBJMSA-N 0 0 397.563 3.626 20 10 GHCDRN CC1(C)C[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])[C@@H]1[C@H]1CCCO1 ZINC000811777226 889949429 /nfs/dbraw/zinc/94/94/29/889949429.db2.gz AZFVAIUZFBGUJC-DENIHFKCSA-N 0 0 381.472 3.718 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCCN3c4ccccc4C[C@H]3C2)cc1 ZINC000811863918 890060678 /nfs/dbraw/zinc/06/06/78/890060678.db2.gz GDJMUJHHPLOKQF-QFIPXVFZSA-N 0 0 392.547 3.879 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ccc2sccc2c1 ZINC000811866513 890061561 /nfs/dbraw/zinc/06/15/61/890061561.db2.gz MCBMABSKWDJLNM-UHFFFAOYSA-N 0 0 381.501 3.737 20 10 GHCDRN Cc1cccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000122775759 890075520 /nfs/dbraw/zinc/07/55/20/890075520.db2.gz UGWRNMAEFAFUNS-CQSZACIVSA-N 0 0 376.407 3.782 20 10 GHCDRN CS(=O)(=O)c1ccc(NCc2cc(Cl)c3cccnc3c2O)cc1F ZINC001168522285 890354622 /nfs/dbraw/zinc/35/46/22/890354622.db2.gz DYHSEKZCOIMGFW-UHFFFAOYSA-N 0 0 380.828 3.749 20 10 GHCDRN COc1cccc(N2C(=O)/C(=C/c3cn(C)nc3C(F)F)SC2=S)c1 ZINC000812219214 890448993 /nfs/dbraw/zinc/44/89/93/890448993.db2.gz DCVQKWXAVJQMQU-SDQBBNPISA-N 0 0 381.429 3.772 20 10 GHCDRN Cc1cc(-c2nnc(N(C)Cc3ccccc3O)n2C[C@H]2CCCO2)c(C)o1 ZINC000812304983 890518648 /nfs/dbraw/zinc/51/86/48/890518648.db2.gz WQUXSFSNOFPDHO-QGZVFWFLSA-N 0 0 382.464 3.676 20 10 GHCDRN C[C@@H]1CN(C(=O)c2ccccc2SCc2cccs2)C[C@@H](C)S1(=O)=O ZINC000812373166 890586425 /nfs/dbraw/zinc/58/64/25/890586425.db2.gz RKGZPSFAGUFNFB-ZIAGYGMSSA-N 0 0 395.571 3.688 20 10 GHCDRN COCC[C@H](NC(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C)C(=O)OC ZINC000812393293 890604741 /nfs/dbraw/zinc/60/47/41/890604741.db2.gz KZWFAILLOZCKNV-FQEVSTJZSA-N 0 0 386.492 3.525 20 10 GHCDRN C[C@@H]1CCCN(c2cc(C(=O)NCc3ccc(N4CCCC4)cc3)ccn2)C1 ZINC000812467141 890658736 /nfs/dbraw/zinc/65/87/36/890658736.db2.gz PWUOEFCLEXKUKA-GOSISDBHSA-N 0 0 378.520 3.848 20 10 GHCDRN O=C(CSc1nnc(-c2cccs2)n1C1CC1)N1Cc2cccc(O)c2C1 ZINC000871202201 890692780 /nfs/dbraw/zinc/69/27/80/890692780.db2.gz AALSXDALSPOKLY-UHFFFAOYSA-N 0 0 398.513 3.682 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000871203615 890694516 /nfs/dbraw/zinc/69/45/16/890694516.db2.gz OIAUQGNMJFJNTC-SFHVURJKSA-N 0 0 382.460 3.891 20 10 GHCDRN Cc1cc(Br)cc(C)c1NC(=O)NCCc1cc(O)c(O)cc1O ZINC001184888893 913484596 /nfs/dbraw/zinc/48/45/96/913484596.db2.gz INRYQRMLSYEJFC-UHFFFAOYSA-N 0 0 395.253 3.547 20 10 GHCDRN O=[N+]([O-])c1cnc2ccc(F)cc2c1NCc1ccc(N2CCSCC2)cc1 ZINC001184892617 913487952 /nfs/dbraw/zinc/48/79/52/913487952.db2.gz HMGUDFKTHBQSLE-UHFFFAOYSA-N 0 0 398.463 3.869 20 10 GHCDRN Cc1cc(C(=O)CN2CCC(F)(F)[C@@H](CO)C2)c(C)n1-c1cccc(C)c1 ZINC000812858589 891009741 /nfs/dbraw/zinc/00/97/41/891009741.db2.gz BVHDZFVIEOGUPO-QGZVFWFLSA-N 0 0 376.447 3.535 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Cc3csc(-c4ccc(C)o4)n3)CC2)cc1 ZINC000105968976 891076454 /nfs/dbraw/zinc/07/64/54/891076454.db2.gz XBMGHNOTBNFVOH-UHFFFAOYSA-N 0 0 397.500 3.611 20 10 GHCDRN C[C@H](NC(=O)NC[C@@H]1CCN(c2ccccc2F)C1)c1ccc(N(C)C)cc1 ZINC000812903005 891088507 /nfs/dbraw/zinc/08/85/07/891088507.db2.gz NXSPJNOFWSOQQK-IRXDYDNUSA-N 0 0 384.499 3.778 20 10 GHCDRN COC(=O)/C=C/c1ccc(N2CCCN(c3ccc(C)cc3)CC2)c([N+](=O)[O-])c1 ZINC000917094541 891150938 /nfs/dbraw/zinc/15/09/38/891150938.db2.gz UIFFWYPGBUYWGP-YRNVUSSQSA-N 0 0 395.459 3.806 20 10 GHCDRN COc1c(F)cccc1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001184918518 913536345 /nfs/dbraw/zinc/53/63/45/913536345.db2.gz ARARBEDCUBOWPD-UHFFFAOYSA-N 0 0 392.496 3.645 20 10 GHCDRN Cc1ccc([C@H](C)CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000124133821 891278421 /nfs/dbraw/zinc/27/84/21/891278421.db2.gz VBMDUCQBFWWXNH-QGZVFWFLSA-N 0 0 385.483 3.574 20 10 GHCDRN NC(=O)CN(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CCCC1 ZINC000917116761 891283948 /nfs/dbraw/zinc/28/39/48/891283948.db2.gz YVSDJBPWZUSNJP-UHFFFAOYSA-N 0 0 379.464 3.770 20 10 GHCDRN O=C(CCOc1ccccc1[N+](=O)[O-])N(Cc1ccco1)Cc1ccccc1O ZINC000124193850 891299132 /nfs/dbraw/zinc/29/91/32/891299132.db2.gz CRRUNOPLGYEGAO-UHFFFAOYSA-N 0 0 396.399 3.891 20 10 GHCDRN COc1ccc(CNC2(c3noc(C)n3)CCCCC2)cc1Cn1cccn1 ZINC000873032382 891438594 /nfs/dbraw/zinc/43/85/94/891438594.db2.gz AXEGEYYEIISQGR-UHFFFAOYSA-N 0 0 381.480 3.581 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCc1nc(-c2ccncc2)cs1 ZINC000873189229 891513725 /nfs/dbraw/zinc/51/37/25/891513725.db2.gz QOSDMWZWIZADGT-UHFFFAOYSA-N 0 0 381.505 3.579 20 10 GHCDRN COCCn1c(C)c(C)c2cc(-c3nc(-c4ccc5n[nH]nc5c4)no3)ccc21 ZINC000813339648 891518896 /nfs/dbraw/zinc/51/88/96/891518896.db2.gz UVZXQDBJFLMAMT-UHFFFAOYSA-N 0 0 388.431 3.893 20 10 GHCDRN C[C@@H](NC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)c1ccccc1O ZINC000873222016 891532896 /nfs/dbraw/zinc/53/28/96/891532896.db2.gz WVHSEDOFDHWEOD-QXSJWSMHSA-N 0 0 389.496 3.540 20 10 GHCDRN C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NCCc1ccc(N)cc1 ZINC000237370737 891578620 /nfs/dbraw/zinc/57/86/20/891578620.db2.gz AXMGHSBLRMVMTM-MRXNPFEDSA-N 0 0 375.472 3.786 20 10 GHCDRN CN(C)c1ccc(CNC(=O)NC[C@H](O)c2ccc3ccccc3c2)cc1F ZINC000067637629 891582910 /nfs/dbraw/zinc/58/29/10/891582910.db2.gz VUOKUDCAJYUGIS-NRFANRHFSA-N 0 0 381.451 3.578 20 10 GHCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C(=O)c2cccn2C)cc1 ZINC000813447458 891628080 /nfs/dbraw/zinc/62/80/80/891628080.db2.gz GADVEWCIIJCXGD-UHFFFAOYSA-N 0 0 391.471 3.516 20 10 GHCDRN C[C@@H](NC(=O)CCc1ccc2ccccc2n1)c1ccc(N2CCOCC2)cc1 ZINC000813424118 891637787 /nfs/dbraw/zinc/63/77/87/891637787.db2.gz HZJVTJNKTUXNCH-GOSISDBHSA-N 0 0 389.499 3.881 20 10 GHCDRN CC(=O)N1CCC[C@@H]1C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000917241307 891645391 /nfs/dbraw/zinc/64/53/91/891645391.db2.gz DHWHGTXOUIXYLX-LJQANCHMSA-N 0 0 394.431 3.595 20 10 GHCDRN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CCCCCC(=O)C1 ZINC000813488858 891689174 /nfs/dbraw/zinc/68/91/74/891689174.db2.gz HQDOYJQHVWNOPB-MAUKXSAKSA-N 0 0 392.927 3.666 20 10 GHCDRN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCCCC(=O)C1 ZINC000813488857 891689522 /nfs/dbraw/zinc/68/95/22/891689522.db2.gz HQDOYJQHVWNOPB-CRAIPNDOSA-N 0 0 392.927 3.666 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC000813512867 891697186 /nfs/dbraw/zinc/69/71/86/891697186.db2.gz AHROQELBFMLFGM-MRVPVSSYSA-N 0 0 375.293 3.756 20 10 GHCDRN Cc1cc(C(=O)N2CCC(CO)CC2)c(C)n1-c1ccc(Br)cc1 ZINC000124589641 891704459 /nfs/dbraw/zinc/70/44/59/891704459.db2.gz BUHHDWBEDCHIRU-UHFFFAOYSA-N 0 0 391.309 3.701 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(OC(F)F)c(OC)c2)c1 ZINC000825685620 891725096 /nfs/dbraw/zinc/72/50/96/891725096.db2.gz GSKGNCLIEZUBKL-SNVBAGLBSA-N 0 0 382.363 3.894 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N3CC(C)(C)[C@@H]3c3cccnc3)CC2)cc1 ZINC000813624358 891791499 /nfs/dbraw/zinc/79/14/99/891791499.db2.gz XXOGQCCORCHDPI-NRFANRHFSA-N 0 0 394.519 3.852 20 10 GHCDRN C[C@@H](Cc1ccccc1)c1cc(C(=O)N2CCCc3cc(O)c(O)cc3C2)[nH]n1 ZINC001184997842 913596258 /nfs/dbraw/zinc/59/62/58/913596258.db2.gz RSTWURGLBJDCDO-HNNXBMFYSA-N 0 0 391.471 3.756 20 10 GHCDRN COc1ccc2c(c1)CCCN2Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000917393409 891887436 /nfs/dbraw/zinc/88/74/36/891887436.db2.gz DEUOCHPUDSCSPG-UHFFFAOYSA-N 0 0 389.381 3.643 20 10 GHCDRN O=C(NCc1cc(Cl)ccc1O)C(=O)Nc1nc(C2CCCCC2)cs1 ZINC000873934848 891891414 /nfs/dbraw/zinc/89/14/14/891891414.db2.gz UXLPPWYOXYMQAA-UHFFFAOYSA-N 0 0 393.896 3.805 20 10 GHCDRN COC[C@@]1(C(=O)[O-])CC[N@H+](Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 ZINC000874043246 891965618 /nfs/dbraw/zinc/96/56/18/891965618.db2.gz RXAIRMRFUFWXIB-JOCHJYFZSA-N 0 0 377.525 3.910 20 10 GHCDRN COc1cccc(CNc2cccc(NS(=O)(=O)Cc3ccccc3)c2)c1O ZINC000813792106 891982876 /nfs/dbraw/zinc/98/28/76/891982876.db2.gz QIRAQRCZPBCWJZ-UHFFFAOYSA-N 0 0 398.484 3.955 20 10 GHCDRN CCN1CCC[C@@H](NC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)C1=O ZINC001133927863 892003221 /nfs/dbraw/zinc/00/32/21/892003221.db2.gz HQEWUHHNZOBTDT-HXUWFJFHSA-N 0 0 393.491 3.909 20 10 GHCDRN CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000825737056 892123817 /nfs/dbraw/zinc/12/38/17/892123817.db2.gz RIPSIDJEPSSNMZ-KGLIPLIRSA-N 0 0 380.485 3.614 20 10 GHCDRN O=C(c1ccccc1SCc1cscn1)N1CCS[C@H]2COCC[C@@H]21 ZINC000125128952 892309017 /nfs/dbraw/zinc/30/90/17/892309017.db2.gz XPJNQHXPHIONKW-RDJZCZTQSA-N 0 0 392.571 3.782 20 10 GHCDRN COCc1cc(NCc2cccc(Br)c2O)cc(C(=O)OC)c1 ZINC000814176545 892335909 /nfs/dbraw/zinc/33/59/09/892335909.db2.gz RNFQMBLAGZOCCW-UHFFFAOYSA-N 0 0 380.238 3.700 20 10 GHCDRN COCc1cc(NCc2cc(Br)ccc2O)cc(C(=O)OC)c1 ZINC000814176522 892338824 /nfs/dbraw/zinc/33/88/24/892338824.db2.gz RJQQKCBAMVKXGY-UHFFFAOYSA-N 0 0 380.238 3.700 20 10 GHCDRN Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nnn1-c1ccccc1 ZINC000917647467 892339633 /nfs/dbraw/zinc/33/96/33/892339633.db2.gz JKJJXTILVVFQMY-UHFFFAOYSA-N 0 0 377.492 3.693 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1csc(-c2ncccn2)n1 ZINC000917648128 892341066 /nfs/dbraw/zinc/34/10/66/892341066.db2.gz RWJCISHFPLZMBT-UHFFFAOYSA-N 0 0 381.505 3.717 20 10 GHCDRN O=C1/C(=C/c2cc3c(c(Br)c2)OCO3)SC(=S)N1C1CCC1 ZINC000814185461 892381594 /nfs/dbraw/zinc/38/15/94/892381594.db2.gz HSPCZTGQVAEMEH-SDQBBNPISA-N 0 0 398.303 3.932 20 10 GHCDRN O=C1/C(=C\c2cc3c(c(Br)c2)OCO3)SC(=S)N1C1CCC1 ZINC000814185462 892381769 /nfs/dbraw/zinc/38/17/69/892381769.db2.gz HSPCZTGQVAEMEH-WUXMJOGZSA-N 0 0 398.303 3.932 20 10 GHCDRN CN(C(=O)/C=C/c1cccnc1)c1cccc(NC(=O)/C=C/c2cccnc2)c1 ZINC000917698404 892403675 /nfs/dbraw/zinc/40/36/75/892403675.db2.gz JHKHZSPLBNTRCD-WGDLNXRISA-N 0 0 384.439 3.805 20 10 GHCDRN COc1cc(CNC(=O)N2Cc3cccc(O)c3C2)ccc1OCC(F)(F)F ZINC000875058130 892434286 /nfs/dbraw/zinc/43/42/86/892434286.db2.gz DTRSRPCVKUPSGJ-UHFFFAOYSA-N 0 0 396.365 3.567 20 10 GHCDRN COc1ccc(/C=C\C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cc1 ZINC000917708611 892439154 /nfs/dbraw/zinc/43/91/54/892439154.db2.gz CREMYWPYJZSJPY-DXAFVNMWSA-N 0 0 398.478 3.778 20 10 GHCDRN Cc1cc(C)c(/C=C\C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1C ZINC000917709514 892441053 /nfs/dbraw/zinc/44/10/53/892441053.db2.gz ZSGYHZRSMVXNLL-ALCCZGGFSA-N 0 0 382.479 3.917 20 10 GHCDRN C[C@@H](NC(=O)N1CC(Cc2cccs2)C1)c1ccc(N2CCOCC2)cc1 ZINC000875157525 892470875 /nfs/dbraw/zinc/47/08/75/892470875.db2.gz JHFGCYRJTJUSKM-MRXNPFEDSA-N 0 0 385.533 3.530 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccc(N2CCCOC2=O)cc1 ZINC000814309370 892507606 /nfs/dbraw/zinc/50/76/06/892507606.db2.gz DRBAKHLVJHSSAV-INIZCTEOSA-N 0 0 396.491 3.660 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CC2CCC1CC2 ZINC000814311166 892508673 /nfs/dbraw/zinc/50/86/73/892508673.db2.gz KYLDMYGEJUKPPV-JMLCCBQJSA-N 0 0 396.453 3.985 20 10 GHCDRN CCOCc1cc(CN[C@@H](C)c2ncc(Br)cn2)ccc1OC ZINC000814302300 892529974 /nfs/dbraw/zinc/52/99/74/892529974.db2.gz RMSURQDQMAXAGW-LBPRGKRZSA-N 0 0 380.286 3.635 20 10 GHCDRN C[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000125458151 892667718 /nfs/dbraw/zinc/66/77/18/892667718.db2.gz LVZBPHOEFQONMV-JPYJTQIMSA-N 0 0 393.531 3.905 20 10 GHCDRN Cc1cc(CNC(=O)N2CCC[C@@H]2c2nncn2C)c(C)n1-c1cccc(C)c1 ZINC000875878287 892852952 /nfs/dbraw/zinc/85/29/52/892852952.db2.gz GMPOZIZNYSEQPC-HXUWFJFHSA-N 0 0 392.507 3.578 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(C(C)(C)C)[nH]c1=O ZINC000875948131 892882435 /nfs/dbraw/zinc/88/24/35/892882435.db2.gz JXPMKONEDSDBAZ-UHFFFAOYSA-N 0 0 384.524 3.882 20 10 GHCDRN Cc1ccccc1[C@H]1CN(C(=O)NCCCSc2nccs2)CCO1 ZINC000154602870 892980083 /nfs/dbraw/zinc/98/00/83/892980083.db2.gz RKJABHWMQLZYKK-MRXNPFEDSA-N 0 0 377.535 3.717 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@@H]1C[C@H]1C1CCOCC1 ZINC000876167275 893000801 /nfs/dbraw/zinc/00/08/01/893000801.db2.gz ORNGTCKORIDTDC-UNMCSNQZSA-N 0 0 385.552 3.881 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NCCO[C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000918066812 893083265 /nfs/dbraw/zinc/08/32/65/893083265.db2.gz NUKGQBQYAZBINO-GHTZIAJQSA-N 0 0 389.540 3.512 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000918082128 893091155 /nfs/dbraw/zinc/09/11/55/893091155.db2.gz KSZFQDHSWATDIN-KRWDZBQOSA-N 0 0 387.446 3.786 20 10 GHCDRN O=C(NCCCSc1nccs1)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000154648210 893189451 /nfs/dbraw/zinc/18/94/51/893189451.db2.gz NGWOGGAKSWJYFQ-ZIAGYGMSSA-N 0 0 397.591 3.985 20 10 GHCDRN Cc1ccc(N2C(=O)/C(=C/c3ccc(S(C)(=O)=O)cc3)SC2=S)cc1 ZINC000918154089 893279552 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CC1CCN(c2ccc(CNC(=O)NC[C@@](C)(O)c3ccsc3)cc2)CC1 ZINC000126856678 893963489 /nfs/dbraw/zinc/96/34/89/893963489.db2.gz KPINGZQOLSMUHT-OAQYLSRUSA-N 0 0 387.549 3.691 20 10 GHCDRN C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1cccc(C(F)(F)F)c1[O-] ZINC000815557398 893995081 /nfs/dbraw/zinc/99/50/81/893995081.db2.gz UEHNJFPAGQNNKG-CYBMUJFWSA-N 0 0 376.382 3.902 20 10 GHCDRN C[C@@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1cccc(C(F)(F)F)c1[O-] ZINC000815595887 894034338 /nfs/dbraw/zinc/03/43/38/894034338.db2.gz FLBWBHZLAFALJH-LLVKDONJSA-N 0 0 385.407 3.592 20 10 GHCDRN COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])C1=O ZINC000815595925 894034439 /nfs/dbraw/zinc/03/44/39/894034439.db2.gz GBEZCXYEOPNVTI-DOMZBBRYSA-N 0 0 394.393 3.876 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000878154602 894056155 /nfs/dbraw/zinc/05/61/55/894056155.db2.gz ZOCYRWSLGFOYAW-JTQLQIEISA-N 0 0 383.242 3.512 20 10 GHCDRN COc1cccc(CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)c1O ZINC000934940509 894056310 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GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H](C)c1cccc(O)c1 ZINC000935664178 894708936 /nfs/dbraw/zinc/70/89/36/894708936.db2.gz GCFBIVUEUDJEIT-INIZCTEOSA-N 0 0 398.503 3.884 20 10 GHCDRN COc1c([O-])c(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000774880120 913904308 /nfs/dbraw/zinc/90/43/08/913904308.db2.gz GSXMYOVAQVMXMT-LPHOPBHVSA-N 0 0 399.491 3.794 20 10 GHCDRN O=C(C1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1)N1CCc2ccccc21 ZINC000816497271 894863650 /nfs/dbraw/zinc/86/36/50/894863650.db2.gz UJCREKYFZKWKJP-UHFFFAOYSA-N 0 0 388.870 3.986 20 10 GHCDRN C[C@H](C(=O)Nc1ccc(NCc2ccc3ccccc3c2O)cc1)n1cncn1 ZINC000816525504 894923626 /nfs/dbraw/zinc/92/36/26/894923626.db2.gz WASDMTWUYVVLCL-OAHLLOKOSA-N 0 0 387.443 3.949 20 10 GHCDRN O=C(c1cccc(NCc2ccc3ccccc3c2O)c1)N1CCC[C@H](O)C1 ZINC000816526056 894925672 /nfs/dbraw/zinc/92/56/72/894925672.db2.gz RRMHKHKPTRFPKB-FQEVSTJZSA-N 0 0 376.456 3.754 20 10 GHCDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000816552957 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CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1c(C)noc1C ZINC000174790726 905348050 /nfs/dbraw/zinc/34/80/50/905348050.db2.gz YBOJGKCTIJBWBE-UHFFFAOYSA-N 0 0 396.285 3.534 20 10 GHCDRN Fc1ccc([C@H]2CN(Cc3ccc(N4CCOCC4)c(F)c3)CCO2)c(F)c1 ZINC000779204365 905368684 /nfs/dbraw/zinc/36/86/84/905368684.db2.gz RAIJEBLSBGPBDI-OAQYLSRUSA-N 0 0 392.421 3.514 20 10 GHCDRN COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)Cc1cc(OC)ccc1O ZINC000779214370 905428473 /nfs/dbraw/zinc/42/84/73/905428473.db2.gz CLZQXXYWWGNGOW-UHFFFAOYSA-N 0 0 383.366 3.595 20 10 GHCDRN CC(=O)c1cc(F)cc(CN2CCC(NC(=O)Nc3ccccc3)CC2)c1O ZINC000177264789 906081915 /nfs/dbraw/zinc/08/19/15/906081915.db2.gz XYXNEQPFICXKIB-UHFFFAOYSA-N 0 0 385.439 3.520 20 10 GHCDRN CS[C@@H](C(N)=O)c1cccc(C(=O)c2ccccc2)c1Nc1conc1C ZINC001212722779 906371911 /nfs/dbraw/zinc/37/19/11/906371911.db2.gz BNEFDMDKKYSIAR-LJQANCHMSA-N 0 0 381.457 3.847 20 10 GHCDRN O=C1C[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CN1Cc1ccccc1 ZINC000179054955 906422418 /nfs/dbraw/zinc/42/24/18/906422418.db2.gz 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ZINC001174275260 906968325 /nfs/dbraw/zinc/96/83/25/906968325.db2.gz UVIUBDFVQIQSFE-UHFFFAOYSA-N 0 0 378.457 3.981 20 10 GHCDRN CC(C)Oc1ccc(N(C)CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)cc1 ZINC000191595080 907098857 /nfs/dbraw/zinc/09/88/57/907098857.db2.gz WXGWBDDVUPROMK-IBGZPJMESA-N 0 0 381.520 3.553 20 10 GHCDRN CCc1c(NC(=O)NCc2cccc(OC)c2O)cnn1-c1ccccc1C ZINC000191629338 907117294 /nfs/dbraw/zinc/11/72/94/907117294.db2.gz XRLPJGPNGCADGC-UHFFFAOYSA-N 0 0 380.448 3.779 20 10 GHCDRN COc1ccc(OC(F)F)c(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773388800 907125080 /nfs/dbraw/zinc/12/50/80/907125080.db2.gz OXEVOAAMTIGEKB-ZDUSSCGKSA-N 0 0 393.434 3.923 20 10 GHCDRN C[C@H](Nc1ccn(CCc2ccncc2)n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000182482740 907213479 /nfs/dbraw/zinc/21/34/79/907213479.db2.gz KXMKRBZZZBSDFP-KRWDZBQOSA-N 0 0 395.482 3.670 20 10 GHCDRN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000779526869 907366566 /nfs/dbraw/zinc/36/65/66/907366566.db2.gz ZTKGZUBTCQEZBX-IMAIQDNJSA-N 0 0 385.807 3.692 20 10 GHCDRN CN(C)c1ccc(CNC(=O)CN[C@H](c2cccc(Cl)c2)C(F)F)cc1 ZINC001175662012 907678986 /nfs/dbraw/zinc/67/89/86/907678986.db2.gz VDFFOSCPNCETPP-GOSISDBHSA-N 0 0 381.854 3.618 20 10 GHCDRN COc1cc(OC)cc([C@@H](N[C@H](C)c2ccc(C)cc2O)c2nccn2C)c1 ZINC000184960454 907687710 /nfs/dbraw/zinc/68/77/10/907687710.db2.gz WWECEFMGBNTRMV-QVKFZJNVSA-N 0 0 381.476 3.892 20 10 GHCDRN C[C@@H]([NH2+]Cc1ccnn1C)c1cc(Br)cc(Br)c1[O-] ZINC000184996224 907694170 /nfs/dbraw/zinc/69/41/70/907694170.db2.gz CHWPTRYKJZNAMW-MRVPVSSYSA-N 0 0 389.091 3.502 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NC2CCC(O)(c3cccnc3)CC2)cc1 ZINC000185589437 907795330 /nfs/dbraw/zinc/79/53/30/907795330.db2.gz NGFQQRXWPREYLU-UHFFFAOYSA-N 0 0 396.535 3.557 20 10 GHCDRN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1Cc1cc(F)ccc1O ZINC000779611660 907884072 /nfs/dbraw/zinc/88/40/72/907884072.db2.gz LJDGTWWAPYIUIF-FQEVSTJZSA-N 0 0 381.451 3.907 20 10 GHCDRN CCOCc1cc(CN[C@H](c2cnn(C)c2)c2ccc(F)cc2)ccc1OC ZINC000187511675 908097749 /nfs/dbraw/zinc/09/77/49/908097749.db2.gz CXOZVAPNNLJDMV-QFIPXVFZSA-N 0 0 383.467 3.984 20 10 GHCDRN O=C(c1cc(Cl)ccc1Nc1cnn(CCO)c1)c1c(F)cccc1F ZINC001176473245 908125548 /nfs/dbraw/zinc/12/55/48/908125548.db2.gz DMCOTNIEQMEMHH-UHFFFAOYSA-N 0 0 377.778 3.782 20 10 GHCDRN CCSc1ccc(CC(=O)NCc2cccc(O)c2O)c(Br)c1 ZINC001176576637 908183211 /nfs/dbraw/zinc/18/32/11/908183211.db2.gz QQKOAEMWZUCTED-UHFFFAOYSA-N 0 0 396.306 3.831 20 10 GHCDRN CCc1cc(C(=O)NCc2cc(O)ccc2O)c2c(CC(C)(C)C)noc2n1 ZINC001176755294 908255458 /nfs/dbraw/zinc/25/54/58/908255458.db2.gz OLSLNGZAZJFMIE-UHFFFAOYSA-N 0 0 383.448 3.715 20 10 GHCDRN CN(CCN(C)c1ccc(NC(=O)CCn2cccc2)cc1)c1ccc(N)cc1 ZINC001176940047 908309997 /nfs/dbraw/zinc/30/99/97/908309997.db2.gz NZEMSACNSCDRIY-UHFFFAOYSA-N 0 0 391.519 3.672 20 10 GHCDRN O=C(c1cccc(O)c1O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000189565162 908350386 /nfs/dbraw/zinc/35/03/86/908350386.db2.gz KLSCLDDXBGZZEV-UHFFFAOYSA-N 0 0 392.249 3.544 20 10 GHCDRN C[C@@H](NC(=O)NC[C@@H](O)c1ccc2ccccc2c1)c1ccc(N(C)C)cc1 ZINC000773611137 908406714 /nfs/dbraw/zinc/40/67/14/908406714.db2.gz HELDZSKZHLBLTC-OPAMFIHVSA-N 0 0 377.488 4.000 20 10 GHCDRN Cn1ccc2cccc(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c21 ZINC000190054006 908414644 /nfs/dbraw/zinc/41/46/44/908414644.db2.gz CPUSSMNUZKXKBK-UHFFFAOYSA-N 0 0 392.503 3.709 20 10 GHCDRN C[C@H](NC(=O)N1CCO[C@@H](CCc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000773619059 908443435 /nfs/dbraw/zinc/44/34/35/908443435.db2.gz QPLYXZTVCJYHHN-AVRDEDQJSA-N 0 0 381.520 3.857 20 10 GHCDRN CCN1C[C@H](CN(C)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)Oc2ccccc21 ZINC000773619649 908448169 /nfs/dbraw/zinc/44/81/69/908448169.db2.gz NFIZMEFYIOAZOZ-XLIONFOSSA-N 0 0 396.535 3.743 20 10 GHCDRN C[C@@H](NC(=O)N1CCC([C@@H](O)c2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000773624280 908456900 /nfs/dbraw/zinc/45/69/00/908456900.db2.gz MHPXNTGHUBWFSD-VGSWGCGISA-N 0 0 381.520 3.969 20 10 GHCDRN CCCCCNC(=O)C1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773628796 908485133 /nfs/dbraw/zinc/48/51/33/908485133.db2.gz RBHKJEUIDPHDNQ-QGZVFWFLSA-N 0 0 388.556 3.542 20 10 GHCDRN COc1cc2c(cc1OC)CCN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)CC2 ZINC000773630585 908488307 /nfs/dbraw/zinc/48/83/07/908488307.db2.gz UUVPUUVXVMMZIP-MRXNPFEDSA-N 0 0 397.519 3.641 20 10 GHCDRN COc1cc(OC)c(NCc2ccc(N3CCN(C)CC3)c(F)c2)cc1Cl ZINC001177416345 908568949 /nfs/dbraw/zinc/56/89/49/908568949.db2.gz OBLVPDMZOHYROE-UHFFFAOYSA-N 0 0 393.890 3.860 20 10 GHCDRN O=C(Nc1ccccc1Cl)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000193903255 908789463 /nfs/dbraw/zinc/78/94/63/908789463.db2.gz JRVNKELOEMVGMD-UHFFFAOYSA-N 0 0 384.819 3.806 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(Cl)ccc1F ZINC000194015775 908838553 /nfs/dbraw/zinc/83/85/53/908838553.db2.gz ALCNGANBBRFDSY-UHFFFAOYSA-N 0 0 377.847 3.532 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCc2ccc(N3CCCC3)nc2)cc1 ZINC000194432429 908881834 /nfs/dbraw/zinc/88/18/34/908881834.db2.gz VZYWHMWLTPGEEA-UHFFFAOYSA-N 0 0 381.524 3.527 20 10 GHCDRN Cc1cc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)c(C)n1-c1ccccn1 ZINC000194485312 908886847 /nfs/dbraw/zinc/88/68/47/908886847.db2.gz AJNFKSRIZNFRPH-UHFFFAOYSA-N 0 0 398.507 3.572 20 10 GHCDRN COC[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000194649011 908907128 /nfs/dbraw/zinc/90/71/28/908907128.db2.gz QDSRZCXXRIAPEQ-LJQANCHMSA-N 0 0 375.900 3.935 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2cccc(CS(C)(=O)=O)c2)cc1 ZINC000194718593 908916036 /nfs/dbraw/zinc/91/60/36/908916036.db2.gz CLNWFGNIBIGNHE-UHFFFAOYSA-N 0 0 396.512 3.569 20 10 GHCDRN Nc1ccc(N(Cc2ccccc2)C(=O)[C@H]2CCCN(c3ccncn3)C2)cc1 ZINC001178133420 908923253 /nfs/dbraw/zinc/92/32/53/908923253.db2.gz NHLFRGGJLFKVRI-IBGZPJMESA-N 0 0 387.487 3.509 20 10 GHCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2snnc2C)cc1 ZINC000194792573 908926564 /nfs/dbraw/zinc/92/65/64/908926564.db2.gz BVGOIUMELYVBMA-UHFFFAOYSA-N 0 0 382.489 3.768 20 10 GHCDRN O=C(COc1ccc(F)cc1Cl)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000194827685 908932400 /nfs/dbraw/zinc/93/24/00/908932400.db2.gz UUONGTJSMNOBQR-MRXNPFEDSA-N 0 0 393.842 3.771 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(Br)cs1 ZINC000195001785 908953141 /nfs/dbraw/zinc/95/31/41/908953141.db2.gz FDFVUBYZAHRJCQ-UHFFFAOYSA-N 0 0 395.322 3.619 20 10 GHCDRN COc1ccc(/C=C/C(=O)Nc2ccc3nc(N(C)C)ccc3c2)cc1OC ZINC000195705204 909035670 /nfs/dbraw/zinc/03/56/70/909035670.db2.gz PQDAQHQIJZKCFP-WUXMJOGZSA-N 0 0 377.444 3.970 20 10 GHCDRN Cc1c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cnn1-c1ccc(Cl)cc1 ZINC000773743469 909039063 /nfs/dbraw/zinc/03/90/63/909039063.db2.gz FKCAVKYPVNIQOJ-LBPRGKRZSA-N 0 0 385.851 3.606 20 10 GHCDRN Cc1cc(Br)cc(C)c1NC(=O)NCCCOC1CCOCC1 ZINC000266357822 909094060 /nfs/dbraw/zinc/09/40/60/909094060.db2.gz IOKFGKMEIOYNKM-UHFFFAOYSA-N 0 0 385.302 3.773 20 10 GHCDRN NC(=O)CCSc1ccccc1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000266365992 909098139 /nfs/dbraw/zinc/09/81/39/909098139.db2.gz AXTBBEPSTZYSFD-UHFFFAOYSA-N 0 0 399.516 3.560 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)Nc2ccn(Cc3ccncc3)n2)C2CC2)cc1 ZINC000266456872 909173842 /nfs/dbraw/zinc/17/38/42/909173842.db2.gz RVNXVARGPTWBAZ-UHFFFAOYSA-N 0 0 390.491 3.589 20 10 GHCDRN CCC[C@H](C[NH2+]Cc1cc(Br)cc(Br)c1[O-])OC ZINC001178791220 909229727 /nfs/dbraw/zinc/22/97/27/909229727.db2.gz UCQYTVSDCJVCAI-LLVKDONJSA-N 0 0 381.108 3.822 20 10 GHCDRN CCN1CC[C@H](NC(=O)NCc2ccccc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000773809228 909440663 /nfs/dbraw/zinc/44/06/63/909440663.db2.gz MWBCXDXTUWOXIR-PKOBYXMFSA-N 0 0 391.874 3.819 20 10 GHCDRN C[C@@]1(c2cccc(NCc3c(O)cccc3Br)c2)COC(=O)N1 ZINC001179462746 909538940 /nfs/dbraw/zinc/53/89/40/909538940.db2.gz ALAPPAHSTJCFRM-KRWDZBQOSA-N 0 0 377.238 3.722 20 10 GHCDRN CN(C1CC1)S(=O)(=O)c1ccc(NCc2ccc(N3CCCC3)cc2)cc1 ZINC001179554362 909591463 /nfs/dbraw/zinc/59/14/63/909591463.db2.gz BUMUDOOEOFEURE-UHFFFAOYSA-N 0 0 385.533 3.682 20 10 GHCDRN CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179686843 909646461 /nfs/dbraw/zinc/64/64/61/909646461.db2.gz BRUWKSMRIDAKER-BFLLPXLRSA-N 0 0 387.476 3.612 20 10 GHCDRN C[C@@H](CC(F)(F)F)C(=O)Nc1c(N)ccc2c1C(=O)c1ccccc1C2=O ZINC001179866125 909791100 /nfs/dbraw/zinc/79/11/00/909791100.db2.gz VPWPPWIVAXZCBT-VIFPVBQESA-N 0 0 376.334 3.571 20 10 GHCDRN Cc1ccc(CC(=O)Nc2c(N)ccc3c2C(=O)c2ccccc2C3=O)cc1F ZINC001179939032 909816850 /nfs/dbraw/zinc/81/68/50/909816850.db2.gz PRBPSMBJWHTVIS-UHFFFAOYSA-N 0 0 388.398 3.673 20 10 GHCDRN C[N@@H+](Cc1ccc(F)c(F)c1[O-])C[C@@H](O)COc1ccccc1C(F)(F)F ZINC001179966350 909873632 /nfs/dbraw/zinc/87/36/32/909873632.db2.gz KMQMFTZJGJADKZ-GFCCVEGCSA-N 0 0 391.336 3.561 20 10 GHCDRN CCn1c(-c2ccccc2C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000801829444 921530066 /nfs/dbraw/zinc/53/00/66/921530066.db2.gz JQLYPQINHADIAN-UHFFFAOYSA-N 0 0 391.519 3.746 20 10 GHCDRN O=C(NC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-])c1ccccc1 ZINC001180092795 909913089 /nfs/dbraw/zinc/91/30/89/909913089.db2.gz NXAAPFFSHQOZSZ-KRWDZBQOSA-N 0 0 376.859 3.969 20 10 GHCDRN CN(C)c1ccc(/C=C/C(=O)Nc2cncc(CNC(=O)OC(C)(C)C)c2)cc1 ZINC001180124035 909971380 /nfs/dbraw/zinc/97/13/80/909971380.db2.gz XMHLYGGLXRAIIG-DHZHZOJOSA-N 0 0 396.491 3.824 20 10 GHCDRN O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)[C@@H]1Cc2ccccc21 ZINC000795341467 909987221 /nfs/dbraw/zinc/98/72/21/909987221.db2.gz HDKBJFXJAHAKFZ-HXUWFJFHSA-N 0 0 396.398 3.528 20 10 GHCDRN CC[C@H](C)Oc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773846370 910053767 /nfs/dbraw/zinc/05/37/67/910053767.db2.gz KITADASFXVNEAY-JKSUJKDBSA-N 0 0 383.492 3.746 20 10 GHCDRN C[C@@H](Cn1ccc2ccccc21)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000795360112 910054380 /nfs/dbraw/zinc/05/43/80/910054380.db2.gz KKLWJBXACTZCMZ-KRWDZBQOSA-N 0 0 395.478 3.570 20 10 GHCDRN CC(C)c1nc2cc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)ccc2o1 ZINC000773846799 910058443 /nfs/dbraw/zinc/05/84/43/910058443.db2.gz OKFVDBYGKAUBOU-CQSZACIVSA-N 0 0 394.475 3.833 20 10 GHCDRN C[C@@H](NC(=O)C(=O)Nc1ccc2c3c(cccc31)CC2)c1ccc(N(C)C)cc1 ZINC000773847720 910064423 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CCc1cc(N(Cc2ccco2)Cc2ccc(N(C)C)cc2)n2ncnc2n1 ZINC000759697916 930457267 /nfs/dbraw/zinc/45/72/67/930457267.db2.gz TZONTKRLKRFXCQ-UHFFFAOYSA-N 0 0 376.464 3.553 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)Nc1nc(C(F)(F)F)cs1 ZINC000796642093 930491276 /nfs/dbraw/zinc/49/12/76/930491276.db2.gz XYTKRPQXBDEXLY-UHFFFAOYSA-N 0 0 396.188 3.952 20 10 GHCDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(OC)c1O ZINC000780468521 930528091 /nfs/dbraw/zinc/52/80/91/930528091.db2.gz MXLYNGQUBDOEKA-UHFFFAOYSA-N 0 0 376.434 3.741 20 10 GHCDRN C[C@H](NC(=O)NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000780623030 930561955 /nfs/dbraw/zinc/56/19/55/930561955.db2.gz YZCXPKXTXKWLKF-JOQOYGCGSA-N 0 0 387.446 3.596 20 10 GHCDRN Cn1ccnc1[C@@H](NCc1ccc2c(c1)CCCN2C)c1cccc([N+](=O)[O-])c1 ZINC000780763975 930593385 /nfs/dbraw/zinc/59/33/85/930593385.db2.gz UIFASWNYVNVDRM-NRFANRHFSA-N 0 0 391.475 3.590 20 10 GHCDRN COc1cc(N(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc(OC)c1OC ZINC000780774208 930595402 /nfs/dbraw/zinc/59/54/02/930595402.db2.gz IBIGKUOYHCLPIX-UHFFFAOYSA-N 0 0 398.362 3.858 20 10 GHCDRN CC(=O)[C@@H]1C[C@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1(C)C ZINC000780814774 930604991 /nfs/dbraw/zinc/60/49/91/930604991.db2.gz PMEZPUNTFRQPCZ-JCGIZDLHSA-N 0 0 394.462 3.624 20 10 GHCDRN C[C@@H](O)[C@@H]1CCC[N@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000780892268 930629987 /nfs/dbraw/zinc/62/99/87/930629987.db2.gz IVSDXELWYAQVDS-NXEZZACHSA-N 0 0 393.119 3.510 20 10 GHCDRN O=C(c1ccccc1)c1ccc(O)c(C[N@@H+]2CCC[C@@H](OC(F)F)C2)c1[O-] ZINC000781151277 930718175 /nfs/dbraw/zinc/71/81/75/930718175.db2.gz ZTYOZFBFQCFAOP-CQSZACIVSA-N 0 0 377.387 3.532 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H](C)c2nnc3n2CCCCC3)c1 ZINC000781626153 930912785 /nfs/dbraw/zinc/91/27/85/930912785.db2.gz FMDMOXWCKPCNHF-GFCCVEGCSA-N 0 0 379.302 3.632 20 10 GHCDRN COCCO[C@@H]1CCN(C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C1 ZINC000781702573 930946430 /nfs/dbraw/zinc/94/64/30/930946430.db2.gz WSSFGSFQTFGULZ-HXUWFJFHSA-N 0 0 390.911 3.554 20 10 GHCDRN CCCCNC(=O)C1CC[NH+](Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000781897922 931017790 /nfs/dbraw/zinc/01/77/90/931017790.db2.gz UNPPWWWSVYBHIF-UHFFFAOYSA-N 0 0 383.330 3.591 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000781903976 931020122 /nfs/dbraw/zinc/02/01/22/931020122.db2.gz DDCWGXDFEOQYBB-CYBMUJFWSA-N 0 0 399.329 3.810 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)c1 ZINC000781911574 931024835 /nfs/dbraw/zinc/02/48/35/931024835.db2.gz NWVVURGOZIEFTC-QFIPXVFZSA-N 0 0 382.323 3.833 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)c1cncc(F)c1 ZINC000781956157 931042391 /nfs/dbraw/zinc/04/23/91/931042391.db2.gz WKSJVGMVVBIMFM-NSHDSACASA-N 0 0 396.260 3.982 20 10 GHCDRN CC(C)[C@@H](CC(F)(F)F)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000783054211 931397146 /nfs/dbraw/zinc/39/71/46/931397146.db2.gz ROZFCRNGNAJYGW-QGZVFWFLSA-N 0 0 387.446 3.642 20 10 GHCDRN O=C(CCCOc1cccc(Cl)c1Cl)OCC(=O)c1ccc(O)c(O)c1 ZINC000783234269 931469692 /nfs/dbraw/zinc/46/96/92/931469692.db2.gz KFVKENBVKNLLLL-UHFFFAOYSA-N 0 0 399.226 3.990 20 10 GHCDRN Cc1cc2cc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)ccc2[nH]1 ZINC000783318411 931519153 /nfs/dbraw/zinc/51/91/53/931519153.db2.gz XSLANSSWNLTXLH-UHFFFAOYSA-N 0 0 392.503 3.918 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCCc2ccc(F)cc21 ZINC000783318161 931519351 /nfs/dbraw/zinc/51/93/51/931519351.db2.gz VDGCSOXUZWBSFR-UHFFFAOYSA-N 0 0 397.494 3.608 20 10 GHCDRN Oc1ccccc1CN(Cc1ncc(Br)s1)C[C@H]1CCCO1 ZINC000783381707 931530504 /nfs/dbraw/zinc/53/05/04/931530504.db2.gz QLUOTUJIKUQKLF-CYBMUJFWSA-N 0 0 383.311 3.792 20 10 GHCDRN COc1ccc(-c2ccc(C(=O)OCC(=O)c3ccc(O)c(O)c3)c(F)c2)cc1 ZINC000783533215 931573611 /nfs/dbraw/zinc/57/36/11/931573611.db2.gz LGKNDVLMQBETDV-UHFFFAOYSA-N 0 0 396.370 3.952 20 10 GHCDRN CCOc1ccc(C(C)(C)C(=O)NCCc2ccc(O)c(O)c2)cc1OCC ZINC000783590724 931590283 /nfs/dbraw/zinc/59/02/83/931590283.db2.gz ZDGGTULLJPZXBR-UHFFFAOYSA-N 0 0 387.476 3.532 20 10 GHCDRN O=C(NCCc1ccc(F)c(F)c1F)NCc1ccc(N2CCCC2)cc1 ZINC000784221879 931822020 /nfs/dbraw/zinc/82/20/20/931822020.db2.gz HQZBEFRMIYKAEC-UHFFFAOYSA-N 0 0 377.410 3.746 20 10 GHCDRN Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC000827970169 931823804 /nfs/dbraw/zinc/82/38/04/931823804.db2.gz YKWBCYWIVCOGNJ-ZJBJCVSYSA-N 0 0 391.471 3.841 20 10 GHCDRN O=C(COC(=O)c1ccccc1NN=C1C=CC(=O)C=C1)NCC(F)(F)F ZINC000784493904 931913676 /nfs/dbraw/zinc/91/36/76/931913676.db2.gz VBECFRZMXPBMIO-UHFFFAOYSA-N 0 0 381.310 3.643 20 10 GHCDRN O=C(COC(=O)c1ccccc1NN=C1C=CC(=O)C=C1)NCc1ccco1 ZINC000784502580 931915526 /nfs/dbraw/zinc/91/55/26/931915526.db2.gz HJYUPISFBWSDMM-UHFFFAOYSA-N 0 0 379.372 3.874 20 10 GHCDRN COC(=O)COc1ccc(N(C)Cc2ccc(OCC(F)(F)F)cc2)cc1 ZINC000784560766 931938446 /nfs/dbraw/zinc/93/84/46/931938446.db2.gz MYTNLAIKFBLWDW-UHFFFAOYSA-N 0 0 383.366 3.816 20 10 GHCDRN Nc1ccc(Cc2nc(C(=O)OCc3ccc([N+](=O)[O-])c(F)c3)cs2)cc1 ZINC000784673289 931974189 /nfs/dbraw/zinc/97/41/89/931974189.db2.gz YSFBHZYNCQOHQZ-UHFFFAOYSA-N 0 0 387.392 3.720 20 10 GHCDRN CC[C@@H]([NH2+]C[C@H](c1ccc(OC)cc1)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000796667946 932023273 /nfs/dbraw/zinc/02/32/73/932023273.db2.gz XNWDXQUIMCQOSA-NHCUHLMSSA-N 0 0 388.483 3.654 20 10 GHCDRN CC[C@@H]([NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(F)cc1[O-] ZINC000796781755 932066130 /nfs/dbraw/zinc/06/61/30/932066130.db2.gz YJICLTWBCNCDAQ-WBVHZDCISA-N 0 0 381.831 3.730 20 10 GHCDRN CC[C@@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000796819630 932079759 /nfs/dbraw/zinc/07/97/59/932079759.db2.gz SYARNAXPRACXKT-OAQYLSRUSA-N 0 0 399.510 3.701 20 10 GHCDRN CC[C@@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)c1ccc(F)cc1[O-] ZINC000796973782 932131777 /nfs/dbraw/zinc/13/17/77/932131777.db2.gz AWVSBRLMLFHBRV-ZBFHGGJFSA-N 0 0 381.245 3.561 20 10 GHCDRN CCN(CC)c1ccc(CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)cc1 ZINC000777599100 932185570 /nfs/dbraw/zinc/18/55/70/932185570.db2.gz DFLHCAAOFKZYTR-NRFANRHFSA-N 0 0 390.487 3.677 20 10 GHCDRN C[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000797115937 932189239 /nfs/dbraw/zinc/18/92/39/932189239.db2.gz WWEFXNHYHWQRCX-SKDRFNHKSA-N 0 0 387.229 3.613 20 10 GHCDRN CC[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000797119808 932189914 /nfs/dbraw/zinc/18/99/14/932189914.db2.gz WKKBQVPLEDFBLN-FZMZJTMJSA-N 0 0 395.352 3.554 20 10 GHCDRN CC1=C[C@H](C)CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 ZINC000797431051 932281832 /nfs/dbraw/zinc/28/18/32/932281832.db2.gz ZJKNONALLXUNBI-AWEZNQCLSA-N 0 0 397.441 3.650 20 10 GHCDRN CCN(CC(=O)Nc1ccc(N2CCCCC2)nc1)c1ccc(OC)c(OC)c1 ZINC000777607847 932323737 /nfs/dbraw/zinc/32/37/37/932323737.db2.gz YHUMVQLDUSBNBO-UHFFFAOYSA-N 0 0 398.507 3.554 20 10 GHCDRN COc1ccc(CNC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)c(O)c1 ZINC000797575592 932332868 /nfs/dbraw/zinc/33/28/68/932332868.db2.gz IPSFOHIXEIVVBF-GOEBONIOSA-N 0 0 391.265 3.519 20 10 GHCDRN COc1ccc(CNC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c(O)c1 ZINC000797615201 932344717 /nfs/dbraw/zinc/34/47/17/932344717.db2.gz WCKJPUNUZUSVPM-UHFFFAOYSA-N 0 0 391.427 3.975 20 10 GHCDRN Cc1cc(C(=O)NCc2c(F)cc(F)c(F)c2F)c(C)n1-c1ccccn1 ZINC000797646646 932355084 /nfs/dbraw/zinc/35/50/84/932355084.db2.gz FCIWVJNISKPTSO-UHFFFAOYSA-N 0 0 377.341 3.976 20 10 GHCDRN COc1cc(NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)ccc1O ZINC000797820385 932416968 /nfs/dbraw/zinc/41/69/68/932416968.db2.gz VHXGMSCHJMGUAP-UHFFFAOYSA-N 0 0 385.441 3.781 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](CO)Cc2ccncc2Cl)cc1 ZINC000798135245 932543085 /nfs/dbraw/zinc/54/30/85/932543085.db2.gz CTTQPWZPOZBZJS-QGZVFWFLSA-N 0 0 397.906 3.724 20 10 GHCDRN COc1cccc(O)c1CNc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000798276783 932589535 /nfs/dbraw/zinc/58/95/35/932589535.db2.gz NWXZIFCDQJSSOJ-UHFFFAOYSA-N 0 0 385.464 3.701 20 10 GHCDRN COc1ccccc1-n1ncc(C(=O)NCc2ccc3c(c2)CCCN3C)c1C ZINC000798413104 932636722 /nfs/dbraw/zinc/63/67/22/932636722.db2.gz MKVLNTVCSWFVEV-UHFFFAOYSA-N 0 0 390.487 3.502 20 10 GHCDRN C[C@H](NC(=O)N1CCO[C@H](c2ccc(F)cc2F)C1)c1ccc(N(C)C)cc1 ZINC000777638300 932671121 /nfs/dbraw/zinc/67/11/21/932671121.db2.gz TVHZSAKFZBOACH-XOBRGWDASA-N 0 0 389.446 3.875 20 10 GHCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCCC2CCOCC2)cc1 ZINC000798940478 932826768 /nfs/dbraw/zinc/82/67/68/932826768.db2.gz IUTPEHZRYNKHCJ-QFIPXVFZSA-N 0 0 388.552 3.857 20 10 GHCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000798955889 932838514 /nfs/dbraw/zinc/83/85/14/932838514.db2.gz YDINNIZCVHNQPR-UHFFFAOYSA-N 0 0 385.266 3.965 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c(C)n1-c1ccccn1 ZINC000799054816 932863335 /nfs/dbraw/zinc/86/33/35/932863335.db2.gz HZRUSIJZXFFZAP-QAJUQPOASA-N 0 0 381.520 3.891 20 10 GHCDRN CC(C)(C)Nc1ccccc1NC(=O)C(=O)NCCCSc1nccs1 ZINC000799256371 932935919 /nfs/dbraw/zinc/93/59/19/932935919.db2.gz QNWPYOYGGOCJIO-UHFFFAOYSA-N 0 0 392.550 3.591 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)NC(=O)CCc2ccccc2)cc1 ZINC000799302063 932944234 /nfs/dbraw/zinc/94/42/34/932944234.db2.gz ZOPUVQLAWNIIIT-LJQANCHMSA-N 0 0 395.547 3.629 20 10 GHCDRN CO[C@@H]1CCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)[C@H](C)C1 ZINC000799344077 932959008 /nfs/dbraw/zinc/95/90/08/932959008.db2.gz ROQWBZPWPWQLPU-RDTXWAMCSA-N 0 0 384.476 3.505 20 10 GHCDRN C[C@@H](Nc1cccc([C@@H]2CNC(=O)C2)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000777704024 933071993 /nfs/dbraw/zinc/07/19/93/933071993.db2.gz HLTLDFJBEYCURF-WBVHZDCISA-N 0 0 399.922 3.953 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H]1CCCC(F)(F)C1 ZINC000799886957 933152389 /nfs/dbraw/zinc/15/23/89/933152389.db2.gz HIOPLIVIGSUXMN-INIZCTEOSA-N 0 0 383.508 3.865 20 10 GHCDRN Cc1ccccc1[C@@]1(F)CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000799889593 933153333 /nfs/dbraw/zinc/15/33/33/933153333.db2.gz QUNMLABDTLMDHL-HSZRJFAPSA-N 0 0 397.494 3.612 20 10 GHCDRN C[C@H](NC(=O)N[C@H]1Cc2ccc(Cl)cc2C1)c1ccc(N2CCOCC2)cc1 ZINC000799893690 933155612 /nfs/dbraw/zinc/15/56/12/933155612.db2.gz VLMNXOQJMBLPOY-YWZLYKJASA-N 0 0 399.922 3.704 20 10 GHCDRN O=C(COc1ccsc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000799934113 933176114 /nfs/dbraw/zinc/17/61/14/933176114.db2.gz NLVAESFBJAOBAQ-UHFFFAOYSA-N 0 0 382.432 3.514 20 10 GHCDRN C[C@H](NC(=O)CCc1nc2ccccc2s1)c1ccc(N2CCOCC2)cc1 ZINC001115897431 933234944 /nfs/dbraw/zinc/23/49/44/933234944.db2.gz COSMTUAEJXIYND-INIZCTEOSA-N 0 0 395.528 3.943 20 10 GHCDRN COc1ccc(N2CCN(C(=O)[C@H](C)c3ccc(F)c(F)c3)CC2)cc1F ZINC001116229719 933420400 /nfs/dbraw/zinc/42/04/00/933420400.db2.gz LWXDIXSKZXSPCS-CYBMUJFWSA-N 0 0 378.394 3.565 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cnc(-c3ccccn3)nc2)cc1 ZINC000929537775 933493629 /nfs/dbraw/zinc/49/36/29/933493629.db2.gz TXCNNSOLDFEEJN-UHFFFAOYSA-N 0 0 375.476 3.657 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1C[C@]12c1ccccc1NC2=O ZINC000929541420 933495426 /nfs/dbraw/zinc/49/54/26/933495426.db2.gz UFXXOYOZUXMLQW-YKSBVNFPSA-N 0 0 389.499 3.545 20 10 GHCDRN C[C@H](NC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000777820639 933625585 /nfs/dbraw/zinc/62/55/85/933625585.db2.gz LVAQSFAXPIIJGD-JKSUJKDBSA-N 0 0 375.513 3.577 20 10 GHCDRN COc1ccc(N(Cc2ccco2)Cc2nc(COC(C)C)no2)cc1F ZINC000929990937 933751407 /nfs/dbraw/zinc/75/14/07/933751407.db2.gz GOVGUSBLEMFABI-UHFFFAOYSA-N 0 0 375.400 3.942 20 10 GHCDRN O=C(Cc1coc(-c2ccccc2)n1)NCc1cccc(Br)c1O ZINC001116793599 933759610 /nfs/dbraw/zinc/75/96/10/933759610.db2.gz ACCXIQSMMFEOIQ-UHFFFAOYSA-N 0 0 387.233 3.669 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2cc(-c3ccco3)nn2C)cc1F ZINC001116814018 933772744 /nfs/dbraw/zinc/77/27/44/933772744.db2.gz LDJDFGMCBWIPTR-UHFFFAOYSA-N 0 0 385.443 3.987 20 10 GHCDRN O=C(NC1CCC(C(=O)Nc2c3nonc3ccc2Cl)CC1)C1CCCC1 ZINC001116836519 933786612 /nfs/dbraw/zinc/78/66/12/933786612.db2.gz DCUGDWFUMIFOCV-UHFFFAOYSA-N 0 0 390.871 3.680 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)NC1CCC2(CCOCC2)CC1 ZINC001117381360 933932878 /nfs/dbraw/zinc/93/28/78/933932878.db2.gz PPSODBDWTYDQFW-UHFFFAOYSA-N 0 0 397.313 3.693 20 10 GHCDRN CN(CC1CCCCC1)C(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001117822771 934043988 /nfs/dbraw/zinc/04/39/88/934043988.db2.gz MEMWLCAYNFSMMF-UHFFFAOYSA-N 0 0 384.476 3.553 20 10 GHCDRN Nc1ccc(CNC(=O)N2CCC(Cc3nc(C4CCCCC4)no3)CC2)cc1 ZINC001120585122 934477137 /nfs/dbraw/zinc/47/71/37/934477137.db2.gz YPDJXXYBDASLKJ-UHFFFAOYSA-N 0 0 397.523 3.864 20 10 GHCDRN C[C@@H](NC(=O)C(C)(C)Cc1ccc(O)cc1)c1ccc(N2CCOCC2)cc1 ZINC001120682554 934491831 /nfs/dbraw/zinc/49/18/31/934491831.db2.gz YQQQBGPDDHJTBJ-QGZVFWFLSA-N 0 0 382.504 3.675 20 10 GHCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)N1CCn2nc(C3CC3)cc2C1 ZINC000931784945 934719411 /nfs/dbraw/zinc/71/94/11/934719411.db2.gz LGCIASRROPIMHM-UHFFFAOYSA-N 0 0 399.458 3.518 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)C[C@H]3CCNc4ccccc43)C2)cc1 ZINC001122000519 934801398 /nfs/dbraw/zinc/80/13/98/934801398.db2.gz WQPPANCAJWKGJV-QZTJIDSGSA-N 0 0 379.504 3.627 20 10 GHCDRN CCOCCCn1c(Nc2cnn(C3CCC3)c2)nnc1C1SC=CC1=O ZINC001122691582 934950976 /nfs/dbraw/zinc/95/09/76/934950976.db2.gz MKJLDTRFFGQEIO-UHFFFAOYSA-N 0 0 388.497 3.804 20 10 GHCDRN O=C1C=CSC1c1nnc(Nc2cnn(C3CCC3)c2)n1C[C@@H]1CCCO1 ZINC001122769657 934979348 /nfs/dbraw/zinc/97/93/48/934979348.db2.gz NIBUNVYBTYOBQX-AWEZNQCLSA-N 0 0 386.481 3.556 20 10 GHCDRN CCN(c1nnc(C2Sc3ncccc3C2=O)n1C[C@H]1CCOC1)C(C)C ZINC001123031108 935061545 /nfs/dbraw/zinc/06/15/45/935061545.db2.gz QFIHAUWIFMJLSJ-CYBMUJFWSA-N 0 0 387.509 3.532 20 10 GHCDRN CC[C@H](O)[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1Cc1cccs1 ZINC001123043410 935065494 /nfs/dbraw/zinc/06/54/94/935065494.db2.gz APXUNFCGFLNWHI-YOEHRIQHSA-N 0 0 386.521 3.604 20 10 GHCDRN O=C1C=CSC1c1nnc(N2CCC(F)(F)CC2)n1C[C@@H]1CCCCO1 ZINC001123259394 935132795 /nfs/dbraw/zinc/13/27/95/935132795.db2.gz ALELAKSWKFVKAY-LBPRGKRZSA-N 0 0 384.452 3.517 20 10 GHCDRN CN(C)c1ccc(CNC(=O)[C@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc1 ZINC001124480887 935396721 /nfs/dbraw/zinc/39/67/21/935396721.db2.gz ZYYRMFMGXCQADI-FQEVSTJZSA-N 0 0 397.519 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COc1ccc(N2CCN(C(=O)c3sc(CC4CC4)nc3C)CC2)cc1F ZINC000190607012 1020707139 /nfs/dbraw/zinc/70/71/39/1020707139.db2.gz KABHCTQHSDXFRQ-UHFFFAOYSA-N 0 0 389.496 3.514 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000779494762 1020830107 /nfs/dbraw/zinc/83/01/07/1020830107.db2.gz ZCRJVZUPVIHIGF-ACCUITESSA-N 0 0 388.423 3.680 20 10 GHCDRN COC(=O)C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(C(C)(C)C)cc1 ZINC000779519765 1020838264 /nfs/dbraw/zinc/83/82/64/1020838264.db2.gz MSJMWFKMRVFRCV-HCSGDKDASA-N 0 0 397.471 3.829 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2cc(C)nn2-c2ccccn2)cc1 ZINC000193531094 1020936412 /nfs/dbraw/zinc/93/64/12/1020936412.db2.gz OKGXZRYOAQDOKU-UHFFFAOYSA-N 0 0 378.480 3.744 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCc2ccc(-n3ccnc3)c(F)c2)cc1 ZINC000195659804 1020971285 /nfs/dbraw/zinc/97/12/85/1020971285.db2.gz WWMVOBACONTUGL-UHFFFAOYSA-N 0 0 395.482 3.857 20 10 GHCDRN COC(=O)C(=O)CCCSc1ncc(-c2ccccc2)n1CC(F)(F)F ZINC000795213823 1020988496 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GHCDRN OC1CCN(c2ccc(CN3CCc4c([nH]nc4C(F)(F)F)C3)cc2)CC1 ZINC001140287225 1021319313 /nfs/dbraw/zinc/31/93/13/1021319313.db2.gz JWJNKHDKRIPPJJ-SFHVURJKSA-N 0 0 380.414 3.504 20 10 GHCDRN COC[C@@H]1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C)C1 ZINC000800742299 1021333236 /nfs/dbraw/zinc/33/32/36/1021333236.db2.gz FWXGASIUSANYCL-GOSISDBHSA-N 0 0 379.508 3.752 20 10 GHCDRN Oc1cccc(Cl)c1CN1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@@H]21 ZINC001140344456 1021458275 /nfs/dbraw/zinc/45/82/75/1021458275.db2.gz KHSZIFPKPAJQGB-LKUPVBHCSA-N 0 0 388.895 3.637 20 10 GHCDRN O=C(Nc1ccccc1)C1=NO[C@]2(C1)CCCN(Cc1c(O)cccc1Cl)C2 ZINC001140345555 1021459371 /nfs/dbraw/zinc/45/93/71/1021459371.db2.gz WGCDWBLXXPBYID-NRFANRHFSA-N 0 0 399.878 3.795 20 10 GHCDRN CC[C@H](C)c1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CC(C)C ZINC000802663663 1021519059 /nfs/dbraw/zinc/51/90/59/1021519059.db2.gz OTDGCBYCVLHMAR-SFHVURJKSA-N 0 0 385.556 3.921 20 10 GHCDRN Cc1nc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)sc1Br ZINC000834856458 1021558981 /nfs/dbraw/zinc/55/89/81/1021558981.db2.gz RAPLXMKLPVXBAL-GFCCVEGCSA-N 0 0 396.354 3.901 20 10 GHCDRN Cc1cc(Br)cc([C@H](C)Nc2ccc(O[C@@H]3CC(=O)N3)cc2)c1O ZINC000834892563 1021633841 /nfs/dbraw/zinc/63/38/41/1021633841.db2.gz DLWCOZTWVPVGKP-APPDUMDISA-N 0 0 391.265 3.861 20 10 GHCDRN C[C@H]([NH2+]CCC1(CO)CC1)c1cc(Br)cc(Br)c1[O-] ZINC000834895278 1021637758 /nfs/dbraw/zinc/63/77/58/1021637758.db2.gz APZJPDXSPRRAIR-VIFPVBQESA-N 0 0 393.119 3.730 20 10 GHCDRN CC[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCCO1)c1ccc(F)cc1[O-] ZINC000834906602 1021661274 /nfs/dbraw/zinc/66/12/74/1021661274.db2.gz YASHIKZYHGJKDF-RDJZCZTQSA-N 0 0 382.476 3.598 20 10 GHCDRN O=C(NCc1ccccc1O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000748445434 1021690980 /nfs/dbraw/zinc/69/09/80/1021690980.db2.gz YNROUJOVYZWFMW-OAHLLOKOSA-N 0 0 376.840 3.925 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc([C@@]2(C)CCCO2)n1CCc1ccccc1 ZINC000834940535 1021709205 /nfs/dbraw/zinc/70/92/05/1021709205.db2.gz OLXOHWXMECTATB-HSZRJFAPSA-N 0 0 392.503 3.888 20 10 GHCDRN COc1ccc(N2CCCN(c3nnc([C@H]4CCCO4)n3CC(C)C)CC2)cc1 ZINC000834975272 1021746835 /nfs/dbraw/zinc/74/68/35/1021746835.db2.gz DDJVTZUVFZEKBN-HXUWFJFHSA-N 0 0 399.539 3.511 20 10 GHCDRN CCOC[C@H]1CN(Cc2ccc(Cl)cc2O)Cc2cnn(CC3CC3)c21 ZINC001140465737 1021761194 /nfs/dbraw/zinc/76/11/94/1021761194.db2.gz SKQMNNXJQZCSKE-QGZVFWFLSA-N 0 0 375.900 3.788 20 10 GHCDRN COc1ccc(NC/C=C\c2ccc(N(C)C)cc2)cc1OCC(=O)NC1CC1 ZINC000835027935 1021782863 /nfs/dbraw/zinc/78/28/63/1021782863.db2.gz FJSWOQMMHBFYAC-PLNGDYQASA-N 0 0 395.503 3.544 20 10 GHCDRN CN(C)c1ccc(/C=C\CN2CCOC[C@@H]2c2noc(-c3ccccc3)n2)cc1 ZINC000835044290 1021805139 /nfs/dbraw/zinc/80/51/39/1021805139.db2.gz IPHUPRHUUSPMDP-IZRJCCQOSA-N 0 0 390.487 3.889 20 10 GHCDRN CC(=O)N1CCN(Cc2cccc(NC/C=C\c3ccc(N(C)C)cc3)c2)CC1 ZINC000835045124 1021809788 /nfs/dbraw/zinc/80/97/88/1021809788.db2.gz JGNOMZQKDMRBKN-ALCCZGGFSA-N 0 0 392.547 3.542 20 10 GHCDRN Cc1ccc(NC/C=C/c2ccc(N(C)C)cc2)cc1C(=O)N1CCOCC1 ZINC000835055001 1021822227 /nfs/dbraw/zinc/82/22/27/1021822227.db2.gz UGCOIDWZYVZALV-SNAWJCMRSA-N 0 0 379.504 3.659 20 10 GHCDRN Cc1cc(CC(=O)NCC[S@](=O)Cc2ccccc2)c(C)n1-c1ccccc1 ZINC000826932171 1021840247 /nfs/dbraw/zinc/84/02/47/1021840247.db2.gz PVCXELBWMGQGRD-NDEPHWFRSA-N 0 0 394.540 3.702 20 10 GHCDRN Cc1ccc(C(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)c(O)c1O ZINC001140501023 1021876546 /nfs/dbraw/zinc/87/65/46/1021876546.db2.gz XDSRWNZKJQECMI-QGZVFWFLSA-N 0 0 375.852 3.957 20 10 GHCDRN Cc1nccn2c(C(=O)Nc3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)nnc12 ZINC001156419651 1033027526 /nfs/dbraw/zinc/02/75/26/1033027526.db2.gz ZJETXUGEJLLDAV-SNAWJCMRSA-N 0 0 398.470 3.921 20 10 GHCDRN Cc1nc(COCc2cnc3n2CCN(Cc2cc(C)ccc2O)[C@H]3C)cs1 ZINC001140621793 1022094675 /nfs/dbraw/zinc/09/46/75/1022094675.db2.gz POTYODKFTHFXBQ-HNNXBMFYSA-N 0 0 398.532 3.956 20 10 GHCDRN O=S1(=O)CCN(Cc2cc3oc4ccccc4c3cc2O)[C@H]2CCCC[C@H]21 ZINC000754011623 1022421711 /nfs/dbraw/zinc/42/17/11/1022421711.db2.gz KPHCPRJRERQNRV-LAUBAEHRSA-N 0 0 385.485 3.833 20 10 GHCDRN COc1ccc(N2CCN(CN3C(=O)C(C)(C)[C@H]3c3ccccc3)CC2)cc1F ZINC000754015790 1022424355 /nfs/dbraw/zinc/42/43/55/1022424355.db2.gz ZPNZMXLBZHZNBR-OAQYLSRUSA-N 0 0 397.494 3.524 20 10 GHCDRN Cc1cc(CC(=O)N[C@H]2C[C@@](CO)(c3ccccc3)C2)c(C)n1-c1ccccc1 ZINC001156487865 1033060156 /nfs/dbraw/zinc/06/01/56/1033060156.db2.gz BNCKYKPTIJDDFN-WZJNIGMMSA-N 0 0 388.511 3.846 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCC3(CCOCC3)[C@H]2C)cc1F ZINC000754196127 1022532297 /nfs/dbraw/zinc/53/22/97/1022532297.db2.gz SBBHWZFDFLXVRB-MRXNPFEDSA-N 0 0 377.504 3.773 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000754289472 1022586697 /nfs/dbraw/zinc/58/66/97/1022586697.db2.gz DRBJNOUZZGNAPX-RISOHXOYSA-N 0 0 388.439 3.820 20 10 GHCDRN Cc1ccc(/C=C/C(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)cn1 ZINC000754301888 1022596303 /nfs/dbraw/zinc/59/63/03/1022596303.db2.gz JWEOPRFODZSZDO-FSNWXROXSA-N 0 0 383.879 3.665 20 10 GHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc2nccnc21 ZINC000754320725 1022618271 /nfs/dbraw/zinc/61/82/71/1022618271.db2.gz RKUXWHOZCPUFAA-CQSZACIVSA-N 0 0 398.413 3.630 20 10 GHCDRN Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000754548168 1022764293 /nfs/dbraw/zinc/76/42/93/1022764293.db2.gz ZBDQNBBEASFJJB-LBPRGKRZSA-N 0 0 387.439 3.555 20 10 GHCDRN C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc(C2CC2)c1 ZINC000836250696 1022770831 /nfs/dbraw/zinc/77/08/31/1022770831.db2.gz XKZQILINDCVVLE-QGZVFWFLSA-N 0 0 379.504 3.961 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000836250478 1022772069 /nfs/dbraw/zinc/77/20/69/1022772069.db2.gz WPSPQJZQRGNLBI-IYARVYRRSA-N 0 0 399.922 3.922 20 10 GHCDRN CN1CCC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)c2ccccc21 ZINC000836320818 1022868067 /nfs/dbraw/zinc/86/80/67/1022868067.db2.gz TXZJZAVUQDGPNP-NRFANRHFSA-N 0 0 376.504 3.833 20 10 GHCDRN CC1(C)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@](C)(C(F)(F)F)O1 ZINC000836320473 1022869871 /nfs/dbraw/zinc/86/98/71/1022869871.db2.gz LYQTWBYVABMWFS-IBGZPJMESA-N 0 0 397.441 3.704 20 10 GHCDRN C[C@@](O)(C(=O)NCCCSc1nccs1)c1cccc(C(F)(F)F)c1 ZINC000754846952 1022931375 /nfs/dbraw/zinc/93/13/75/1022931375.db2.gz UUJWKCGFTCSIJX-HNNXBMFYSA-N 0 0 390.452 3.668 20 10 GHCDRN CC[C@H](C)[C@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)OC ZINC000836547762 1023100071 /nfs/dbraw/zinc/10/00/71/1023100071.db2.gz QZRMGJSCCZEZGQ-KSSFIOAISA-N 0 0 399.482 3.617 20 10 GHCDRN CC(C)C[C@H](C)OCCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000755201014 1023120897 /nfs/dbraw/zinc/12/08/97/1023120897.db2.gz QIHNLYBRAPPNCD-BZSNNMDCSA-N 0 0 394.531 3.897 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NC[C@@]3(C)CC3(Cl)Cl)CC2)cc1 ZINC000836585906 1023149199 /nfs/dbraw/zinc/14/91/99/1023149199.db2.gz LDTSKJKFOBMNEX-QGZVFWFLSA-N 0 0 386.323 3.547 20 10 GHCDRN O=C(Cc1ccc(F)cc1F)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000755359708 1023213708 /nfs/dbraw/zinc/21/37/08/1023213708.db2.gz XQOKGKQKABQJEB-HNNXBMFYSA-N 0 0 396.384 3.894 20 10 GHCDRN COc1ccc(O)c(CNC(=O)Nc2ccc(Br)c(C3CC3)n2)c1 ZINC000836685509 1023253228 /nfs/dbraw/zinc/25/32/28/1023253228.db2.gz NERYUOLGIVMCCA-UHFFFAOYSA-N 0 0 392.253 3.757 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(-c2cnn(C)c2)c(C)n1 ZINC000836704457 1023275938 /nfs/dbraw/zinc/27/59/38/1023275938.db2.gz DNZFCSPVFIVZQK-UHFFFAOYSA-N 0 0 379.464 3.940 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(C)cc(Br)n2)c1 ZINC000836759834 1023345963 /nfs/dbraw/zinc/34/59/63/1023345963.db2.gz CYOFRMZHBYPCIR-JTQLQIEISA-N 0 0 380.242 3.749 20 10 GHCDRN Cc1ccc(-n2nc(Br)cc2C(=O)NCc2ccccc2O)cc1 ZINC000755771190 1023370666 /nfs/dbraw/zinc/37/06/66/1023370666.db2.gz YUNMJSSPTSLWKJ-UHFFFAOYSA-N 0 0 386.249 3.579 20 10 GHCDRN COC(=O)c1ncccc1OCC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000755821957 1023391564 /nfs/dbraw/zinc/39/15/64/1023391564.db2.gz JEJUYPKFSVGAOU-UHFFFAOYSA-N 0 0 378.428 3.846 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCO[C@@H](c3ccncc3)C2)c(C)n1-c1ccccn1 ZINC000836880389 1023432224 /nfs/dbraw/zinc/43/22/24/1023432224.db2.gz DQYWQQQXSJLOJC-AZUAARDMSA-N 0 0 376.460 3.534 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)NC[C@H](O)c3ccccc3F)c2C)cc1 ZINC000755995318 1023471100 /nfs/dbraw/zinc/47/11/00/1023471100.db2.gz MLNMVTUEUMOQSZ-NRFANRHFSA-N 0 0 382.435 3.705 20 10 GHCDRN CC(C)C(=O)N1CCC([NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])CC1 ZINC000756395084 1023626428 /nfs/dbraw/zinc/62/64/28/1023626428.db2.gz GTYOHRSECOXYBM-LLVKDONJSA-N 0 0 387.293 3.591 20 10 GHCDRN C[C@@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756424419 1023641836 /nfs/dbraw/zinc/64/18/36/1023641836.db2.gz UNYLNBFZYHZHII-CQSZACIVSA-N 0 0 395.415 3.674 20 10 GHCDRN CC[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1ccccc1OCC(=O)N(C)C ZINC000756434754 1023647848 /nfs/dbraw/zinc/64/78/48/1023647848.db2.gz YQXBFFBHKHFJMV-UGSOOPFHSA-N 0 0 392.446 3.939 20 10 GHCDRN Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])cc1 ZINC000756445470 1023654479 /nfs/dbraw/zinc/65/44/79/1023654479.db2.gz NYSKXKLKSBJTKU-GFCCVEGCSA-N 0 0 395.272 3.683 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(N3CCCCC3=O)cc2)c1 ZINC000756450208 1023656982 /nfs/dbraw/zinc/65/69/82/1023656982.db2.gz RBPGGTXUGBPWHR-HNNXBMFYSA-N 0 0 382.460 3.547 20 10 GHCDRN C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)c1cc(F)cc(F)c1[O-] ZINC000756459533 1023662726 /nfs/dbraw/zinc/66/27/26/1023662726.db2.gz OGRSBXVZXSAMSG-SNVBAGLBSA-N 0 0 399.235 3.514 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)c1 ZINC000756476685 1023675253 /nfs/dbraw/zinc/67/52/53/1023675253.db2.gz UGNIQDJOMUARSK-ZIAGYGMSSA-N 0 0 390.430 3.634 20 10 GHCDRN C[C@@H]([NH2+]CCn1cnc2ccccc21)c1cc(Br)c(F)cc1[O-] ZINC000756483177 1023679151 /nfs/dbraw/zinc/67/91/51/1023679151.db2.gz PBEGPZLRFHXXGQ-LLVKDONJSA-N 0 0 378.245 3.994 20 10 GHCDRN C[C@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756507837 1023689471 /nfs/dbraw/zinc/68/94/71/1023689471.db2.gz GDSPDQCAOLWUCI-GJZGRUSLSA-N 0 0 375.494 3.925 20 10 GHCDRN C[C@H]([NH2+]CCNC(=O)OC(C)(C)C)c1cc(Br)cc(Cl)c1[O-] ZINC000756516024 1023693142 /nfs/dbraw/zinc/69/31/42/1023693142.db2.gz HJAIBOBICAWLQP-VIFPVBQESA-N 0 0 393.709 3.983 20 10 GHCDRN C[C@@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)c1ccc(F)cc1[O-] ZINC000756523766 1023697030 /nfs/dbraw/zinc/69/70/30/1023697030.db2.gz CUUNSQLSKBTIEM-GFCCVEGCSA-N 0 0 395.272 3.765 20 10 GHCDRN C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756585906 1023723266 /nfs/dbraw/zinc/72/32/66/1023723266.db2.gz NFORZBQNDBTFIX-SECBINFHSA-N 0 0 375.694 3.504 20 10 GHCDRN CCn1ncc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1-c1ccccc1 ZINC000756598443 1023730302 /nfs/dbraw/zinc/73/03/02/1023730302.db2.gz KBYDYIHEVJWHPN-UHFFFAOYSA-N 0 0 390.487 3.541 20 10 GHCDRN C[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1cc(Br)c(F)cc1[O-] ZINC000756639403 1023748637 /nfs/dbraw/zinc/74/86/37/1023748637.db2.gz YHSHHOJLFCCJJX-NSHDSACASA-N 0 0 387.293 3.736 20 10 GHCDRN COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H](C)c3cc(F)cc(F)c3[O-])C2)c1 ZINC000756639056 1023748941 /nfs/dbraw/zinc/74/89/41/1023748941.db2.gz VZEASUMSBRZPJV-GXTWGEPZSA-N 0 0 378.419 3.617 20 10 GHCDRN COC(C)(C)C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000756645687 1023753218 /nfs/dbraw/zinc/75/32/18/1023753218.db2.gz IMAMIWUYJXDFQL-QMMMGPOBSA-N 0 0 381.108 3.993 20 10 GHCDRN CN(CC(=O)N(Cc1ccco1)Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000756654132 1023755588 /nfs/dbraw/zinc/75/55/88/1023755588.db2.gz GOJHOJDWSXEUED-UHFFFAOYSA-N 0 0 378.428 3.674 20 10 GHCDRN COc1ccc(Br)cc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756686103 1023773623 /nfs/dbraw/zinc/77/36/23/1023773623.db2.gz IBXXNLFLLJMYIU-SNVBAGLBSA-N 0 0 381.226 3.922 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)c1 ZINC000756705530 1023781989 /nfs/dbraw/zinc/78/19/89/1023781989.db2.gz KOXIEGKWJSKKKH-DIFFPNOSSA-N 0 0 383.366 3.582 20 10 GHCDRN C[C@H]([NH2+]CCCOC1CCOCC1)c1cc(Br)c(F)cc1[O-] ZINC000756733406 1023791962 /nfs/dbraw/zinc/79/19/62/1023791962.db2.gz OUQIECLSQMZCQI-NSHDSACASA-N 0 0 376.266 3.530 20 10 GHCDRN CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])[C@@H](O)c1c(F)cccc1F ZINC000756734151 1023792017 /nfs/dbraw/zinc/79/20/17/1023792017.db2.gz UYUDLWVHXWDAAR-WQFAYQGZSA-N 0 0 379.403 3.620 20 10 GHCDRN C[C@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756770348 1023807844 /nfs/dbraw/zinc/80/78/44/1023807844.db2.gz UBASTCIEDOWLIJ-HNNXBMFYSA-N 0 0 386.448 3.847 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000756785036 1023815173 /nfs/dbraw/zinc/81/51/73/1023815173.db2.gz RTIRKYBGVSCJIQ-CYFNAFFESA-N 0 0 388.895 3.928 20 10 GHCDRN C[C@H]([NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000756835668 1023829364 /nfs/dbraw/zinc/82/93/64/1023829364.db2.gz QKWUMHNYPIFNKT-UDTVLSCZSA-N 0 0 375.337 3.856 20 10 GHCDRN C[C@H](C(=O)Nc1ccc(N[C@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1)n1cncn1 ZINC000756849440 1023834427 /nfs/dbraw/zinc/83/44/27/1023834427.db2.gz ANWKOJCOUOGSHR-XNJGSVPQSA-N 0 0 395.438 3.983 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCN(c3ccccc3OC)C2)cc1 ZINC000756924691 1023868504 /nfs/dbraw/zinc/86/85/04/1023868504.db2.gz LSZLSCLCJTUNIJ-LJQANCHMSA-N 0 0 396.535 3.620 20 10 GHCDRN COc1ccc(N(Cc2ccccc2)Cc2cccc(S(N)(=O)=O)c2)cc1 ZINC001204930959 1033172168 /nfs/dbraw/zinc/17/21/68/1033172168.db2.gz QOQJHNOLHCQTTK-UHFFFAOYSA-N 0 0 382.485 3.549 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CC1 ZINC000830526934 1023967752 /nfs/dbraw/zinc/96/77/52/1023967752.db2.gz SQYUVOAKSLSNAP-UHFFFAOYSA-N 0 0 379.420 3.605 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccccc1O)c1ccc(F)cc1F ZINC000830526527 1023968771 /nfs/dbraw/zinc/96/87/71/1023968771.db2.gz MZNZULMLFXNZKE-QGZVFWFLSA-N 0 0 392.402 3.553 20 10 GHCDRN COc1cccc(CNC(=O)C2(C(=O)OC(C)(C)C)CCCCCC2)c1O ZINC000830540016 1023975833 /nfs/dbraw/zinc/97/58/33/1023975833.db2.gz CWBCBYYWANWWCR-UHFFFAOYSA-N 0 0 377.481 3.699 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(Cc2cc(O)ccc2O)[C@@H](c2cccs2)C1 ZINC001141162524 1023987043 /nfs/dbraw/zinc/98/70/43/1023987043.db2.gz VQPCMSCVHFDYPO-MRXNPFEDSA-N 0 0 390.505 3.953 20 10 GHCDRN 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SDLLIZVXKZCDSP-CRAIPNDOSA-N 0 0 398.247 3.689 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccccc1NC(=O)C1CC1 ZINC001142420150 1028864033 /nfs/dbraw/zinc/86/40/33/1028864033.db2.gz ZSHZKVBQZBYAAR-INIZCTEOSA-N 0 0 379.504 3.771 20 10 GHCDRN CCOC(=O)c1snnc1-c1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC001214859678 1028941563 /nfs/dbraw/zinc/94/15/63/1028941563.db2.gz RMERAHXDOAKNFZ-UHFFFAOYSA-N 0 0 395.444 3.839 20 10 GHCDRN CCC[C@@H](C)C[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000841802609 1028948670 /nfs/dbraw/zinc/94/86/70/1028948670.db2.gz KVUZVRVLNFWRBK-WBVHZDCISA-N 0 0 377.485 3.954 20 10 GHCDRN Nc1ccc(CCNC(=O)NCC2(c3ccccc3Br)CC2)cc1 ZINC000841834632 1028972956 /nfs/dbraw/zinc/97/29/56/1028972956.db2.gz YRTXWDUXWCHGGF-UHFFFAOYSA-N 0 0 388.309 3.605 20 10 GHCDRN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)NCCc1ccc(N)cc1 ZINC000841856959 1028978549 /nfs/dbraw/zinc/97/85/49/1028978549.db2.gz MCTQVPVRUQTGEN-UHFFFAOYSA-N 0 0 377.492 3.620 20 10 GHCDRN 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[O-]c1c(Br)cc(F)cc1CN1CC[NH2+]C[C@H]1c1ccccc1F ZINC001235752242 1041239467 /nfs/dbraw/zinc/23/94/67/1041239467.db2.gz HZVVLZIWDNHXDY-INIZCTEOSA-N 0 0 383.236 3.579 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2CN1CC[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC001235815913 1041329716 /nfs/dbraw/zinc/32/97/16/1041329716.db2.gz QFWIACQPEUOOHC-SFHVURJKSA-N 0 0 384.863 3.607 20 10 GHCDRN COc1ccc(N2CCN(Cc3c(Br)ccnc3Cl)CC2)cc1 ZINC001235872305 1041406341 /nfs/dbraw/zinc/40/63/41/1041406341.db2.gz QOUWOEGUYJXUCF-UHFFFAOYSA-N 0 0 396.716 3.828 20 10 GHCDRN COc1c([O-])c(C[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)ccc1[N+](=O)[O-] ZINC001256042514 1041492560 /nfs/dbraw/zinc/49/25/60/1041492560.db2.gz MENSCVWVNGXJRU-VIFPVBQESA-N 0 0 386.326 3.900 20 10 GHCDRN [O-]c1c(Br)cc(F)cc1CN1CC[NH2+]C[C@H]1c1ccc(F)cc1 ZINC001236128150 1041556401 /nfs/dbraw/zinc/55/64/01/1041556401.db2.gz HAJJCCVWHLFOKB-INIZCTEOSA-N 0 0 383.236 3.579 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1CN1CC[NH2+]C[C@@H]1c1ccc(F)cc1 ZINC001236130020 1041557740 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Cc1cc(Br)c([O-])c(C[NH+]2CC(CCNC(=O)OC(C)(C)C)C2)c1 ZINC001236668434 1041814632 /nfs/dbraw/zinc/81/46/32/1041814632.db2.gz DNEFUIPMNCIMPM-UHFFFAOYSA-N 0 0 399.329 3.810 20 10 GHCDRN COc1cc(O)c(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c(Cl)c1 ZINC001236796819 1041900808 /nfs/dbraw/zinc/90/08/08/1041900808.db2.gz ZKDLLYSSSUJJHI-JKSUJKDBSA-N 0 0 382.888 3.638 20 10 GHCDRN CCOc1cncc(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC001236842760 1041925863 /nfs/dbraw/zinc/92/58/63/1041925863.db2.gz HZBWWDQGDLCNBN-UHFFFAOYSA-N 0 0 381.398 3.701 20 10 GHCDRN Cc1nc([C@@H]2COCCN2Cc2ccc(N3CCOCC3)cc2Cl)cs1 ZINC001236921956 1041960224 /nfs/dbraw/zinc/96/02/24/1041960224.db2.gz OTCBOXFKFPOVKT-IBGZPJMESA-N 0 0 393.940 3.515 20 10 GHCDRN Oc1cc(OCC(F)(F)F)ccc1CN1CC2(CCN2Cc2ccccc2)C1 ZINC001237056027 1042013283 /nfs/dbraw/zinc/01/32/83/1042013283.db2.gz KRIJLLKCVUTRAF-UHFFFAOYSA-N 0 0 392.421 3.794 20 10 GHCDRN CC(C)(C)OC(=O)C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237064052 1042017277 /nfs/dbraw/zinc/01/72/77/1042017277.db2.gz XHMUWBWGFPOZTE-ZDUSSCGKSA-N 0 0 389.414 3.887 20 10 GHCDRN CN(CC1CN(Cc2c(O)ccc(Cl)c2Cl)C1)C(=O)OC(C)(C)C ZINC001237077873 1042023877 /nfs/dbraw/zinc/02/38/77/1042023877.db2.gz LLDZTMOKUXCHEB-UHFFFAOYSA-N 0 0 375.296 3.998 20 10 GHCDRN Oc1ccc(Cl)c(Cl)c1CN1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001237079415 1042025809 /nfs/dbraw/zinc/02/58/09/1042025809.db2.gz CRYNJHNKCCGZSV-AWEZNQCLSA-N 0 0 396.318 3.954 20 10 GHCDRN COc1ccccc1CN1CCN(Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237111591 1042044641 /nfs/dbraw/zinc/04/46/41/1042044641.db2.gz SSHZVGGMYGQNHS-UHFFFAOYSA-N 0 0 396.409 3.617 20 10 GHCDRN CCOC[C@@H]1CN(Cc2c(O)ccc(F)c2Cl)Cc2nn(CC3CC3)cc21 ZINC001237121314 1042049943 /nfs/dbraw/zinc/04/99/43/1042049943.db2.gz BPAMOKAMSFALBZ-AWEZNQCLSA-N 0 0 393.890 3.927 20 10 GHCDRN O=C1CCc2cc(N3CCN(Cc4cc(C(F)(F)F)ccc4O)CC3)ccc21 ZINC001237144850 1042062537 /nfs/dbraw/zinc/06/25/37/1042062537.db2.gz ULYXONPVJUNSLX-UHFFFAOYSA-N 0 0 390.405 3.862 20 10 GHCDRN CN1CC[C@@]2(C[N@H+](Cc3cc(Cl)cc(F)c3[O-])C[C@@H]2c2ccccc2)C1=O ZINC001237618643 1042285514 /nfs/dbraw/zinc/28/55/14/1042285514.db2.gz KEOVMXZQDPABOW-UTKZUKDTSA-N 0 0 388.870 3.633 20 10 GHCDRN CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3cc(Cl)cc(F)c3[O-])C[C@@H]2C1 ZINC001237621620 1042288927 /nfs/dbraw/zinc/28/89/27/1042288927.db2.gz DEKKYUSVTAPYCK-GXTWGEPZSA-N 0 0 384.879 3.874 20 10 GHCDRN CCOCc1ncn2c1CN(Cc1cc(-c3ccc(F)cc3)ccc1O)CC2 ZINC001237643123 1042301226 /nfs/dbraw/zinc/30/12/26/1042301226.db2.gz INCBIRBAASNOEB-UHFFFAOYSA-N 0 0 381.451 3.947 20 10 GHCDRN Cc1cc(O)c(CN2CC(C)(CNC(=O)OC(C)(C)C)C2)cc1Br ZINC001237685034 1042326154 /nfs/dbraw/zinc/32/61/54/1042326154.db2.gz MVDSBHRIARAYBO-UHFFFAOYSA-N 0 0 399.329 3.810 20 10 GHCDRN Cc1cc(Cl)cc(CN2CCc3onc(COc4ccccn4)c3C2)c1O ZINC001237686466 1042326871 /nfs/dbraw/zinc/32/68/71/1042326871.db2.gz IZGYICHKHZGETA-UHFFFAOYSA-N 0 0 385.851 3.874 20 10 GHCDRN Oc1c(I)cccc1CN1CCO[C@@H](c2ccccc2)C1 ZINC001237781343 1042366396 /nfs/dbraw/zinc/36/63/96/1042366396.db2.gz UWGBUXKZMWHIDN-MRXNPFEDSA-N 0 0 395.240 3.570 20 10 GHCDRN O=C1CCC[C@@H]2C[N@@H+](Cc3cc(Br)cc(C(F)(F)F)c3[O-])C[C@@H]12 ZINC001237786674 1042369125 /nfs/dbraw/zinc/36/91/25/1042369125.db2.gz PAULCXNDEPZRIV-BXKDBHETSA-N 0 0 392.215 3.975 20 10 GHCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001237937187 1042428245 /nfs/dbraw/zinc/42/82/45/1042428245.db2.gz NFEBMYBUISYEHG-LRDDRELGSA-N 0 0 381.904 3.738 20 10 GHCDRN CCN(Cc1ccccc1O)Cc1cc(O)ccc1I ZINC001237967595 1042439863 /nfs/dbraw/zinc/43/98/63/1042439863.db2.gz FVIOULFYVYGQEJ-UHFFFAOYSA-N 0 0 383.229 3.725 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)c2sc(C(C)(C)C)nc2C)cc1 ZINC001278288009 1042763174 /nfs/dbraw/zinc/76/31/74/1042763174.db2.gz BVFZCMLUDBUAFA-UHFFFAOYSA-N 0 0 375.538 3.966 20 10 GHCDRN CCOC(=O)c1c(NC(=S)NCc2ccc(N)cc2)sc2c1CCCC2 ZINC001239369676 1042814682 /nfs/dbraw/zinc/81/46/82/1042814682.db2.gz UVECDFRNLJBGFR-UHFFFAOYSA-N 0 0 389.546 3.872 20 10 GHCDRN COC(=O)c1cc2ccc(-c3cnn(Cc4ccc(OC)cc4)c3)cc2n1C ZINC001240464534 1042932972 /nfs/dbraw/zinc/93/29/72/1042932972.db2.gz VYYPDVJUZURNCA-UHFFFAOYSA-N 0 0 375.428 3.885 20 10 GHCDRN C[C@@H]1CCC[C@]1(O)Cn1c(C2CCCC2)nnc1N(C)Cc1ccccc1O ZINC001291079057 1043067845 /nfs/dbraw/zinc/06/78/45/1043067845.db2.gz XAUHQKCBOCUXBQ-ZHRRBRCNSA-N 0 0 384.524 3.829 20 10 GHCDRN C[C@@H]1[C@@H](C)CCN1c1nnc(C(C)(C)C)n1Cc1ccc(N2CCOCC2)cc1 ZINC001291147743 1043109552 /nfs/dbraw/zinc/10/95/52/1043109552.db2.gz DRARZYMXOVMYTG-ZWKOTPCHSA-N 0 0 397.567 3.695 20 10 GHCDRN C[C@@H]1[C@@H](C)[S@](=O)CCN1Cc1c(O)ccc2cc(Br)ccc21 ZINC000736598006 1043142101 /nfs/dbraw/zinc/14/21/01/1043142101.db2.gz KPRJRBAKNNTRJF-ZRUHOGSISA-N 0 0 382.323 3.649 20 10 GHCDRN C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000736656729 1043145399 /nfs/dbraw/zinc/14/53/99/1043145399.db2.gz LPOXAKMZUVZEKU-DDWQGHIRSA-N 0 0 391.581 3.506 20 10 GHCDRN Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001291729043 1043427777 /nfs/dbraw/zinc/42/77/77/1043427777.db2.gz QIXUSZYCFCNDAM-UHFFFAOYSA-N 0 0 382.460 3.650 20 10 GHCDRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1CC1CCCC1 ZINC001292000083 1043561233 /nfs/dbraw/zinc/56/12/33/1043561233.db2.gz SNGSHGACQGATPC-UHFFFAOYSA-N 0 0 399.539 3.729 20 10 GHCDRN O=S(=O)(Nc1ccc(O)cc1Br)c1ccccc1C(F)(F)F ZINC001256641285 1043588208 /nfs/dbraw/zinc/58/82/08/1043588208.db2.gz UIJGPPQLXKDLPL-UHFFFAOYSA-N 0 0 396.184 3.974 20 10 GHCDRN O[C@H]1CCN(Cc2ccccc2)[C@H]1c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256935064 1043759399 /nfs/dbraw/zinc/75/93/99/1043759399.db2.gz DWWAPNKJTBWFCF-LEWJYISDSA-N 0 0 386.455 3.835 20 10 GHCDRN CS(=O)(=O)c1ccc(CCc2nnc(-c3ccc(-n4cccc4)cc3)o2)cc1 ZINC001256961769 1043774587 /nfs/dbraw/zinc/77/45/87/1043774587.db2.gz VFBKXRJGAVBAGV-UHFFFAOYSA-N 0 0 393.468 3.716 20 10 GHCDRN CCc1nn(C)c(CC)c1Cn1c(C(C)C)nnc1N(C)Cc1ccccc1O ZINC001292756391 1043863231 /nfs/dbraw/zinc/86/32/31/1043863231.db2.gz GLRURWAZTBIJNC-UHFFFAOYSA-N 0 0 396.539 3.650 20 10 GHCDRN CCc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1C[C@H]1CC[C@@H](C)C1 ZINC001292833415 1043904539 /nfs/dbraw/zinc/90/45/39/1043904539.db2.gz QDBJRZVLUDNHBS-QUCCMNQESA-N 0 0 397.567 3.750 20 10 GHCDRN Cc1c(C[S@@](C)=O)cccc1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001293502770 1044217475 /nfs/dbraw/zinc/21/74/75/1044217475.db2.gz MHYZZJJWUVQFKI-RUZDIDTESA-N 0 0 375.471 3.752 20 10 GHCDRN Nc1cc(Cl)ccc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001294161023 1044503761 /nfs/dbraw/zinc/50/37/61/1044503761.db2.gz KOWSPXQLQDQTDP-CYBMUJFWSA-N 0 0 395.837 3.922 20 10 GHCDRN CCCCN(C)c1nnc(Cc2ccncc2)n1Cc1ccc(N(C)C)cc1C ZINC001294200063 1044521203 /nfs/dbraw/zinc/52/12/03/1044521203.db2.gz HNMSVIKKWVQYSS-UHFFFAOYSA-N 0 0 392.551 3.923 20 10 GHCDRN CCNC(=O)Nc1cc(F)ccc1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001294404572 1044606312 /nfs/dbraw/zinc/60/63/12/1044606312.db2.gz AZZOBWBYTJNNKP-UHFFFAOYSA-N 0 0 389.408 3.845 20 10 GHCDRN CCCN(CC)c1nnc(Cc2ccccn2)n1Cc1ccc(N(C)C)cc1C ZINC001294497077 1044665401 /nfs/dbraw/zinc/66/54/01/1044665401.db2.gz CBIVQKSHSWGMRY-UHFFFAOYSA-N 0 0 392.551 3.923 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ncnc2ccsc21 ZINC001294685380 1044763279 /nfs/dbraw/zinc/76/32/79/1044763279.db2.gz OXRGBUHTOVLMJA-UHFFFAOYSA-N 0 0 392.278 3.822 20 10 GHCDRN O=S(=O)(c1ccc(Cl)cc1Cl)N1CCCc2cc(O)c(O)cc2C1 ZINC001258866113 1044807029 /nfs/dbraw/zinc/80/70/29/1044807029.db2.gz VTPXQUOMGZURGM-UHFFFAOYSA-N 0 0 388.272 3.542 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Cc2ccccc2C(=O)OC(C)(C)C)c1 ZINC001294937025 1044844946 /nfs/dbraw/zinc/84/49/46/1044844946.db2.gz MGWVBZKXSYNBQY-AWEZNQCLSA-N 0 0 385.460 3.776 20 10 GHCDRN CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Nc1ccc(O)cc1C(F)(F)F)C(=O)C2 ZINC001258973702 1044913051 /nfs/dbraw/zinc/91/30/51/1044913051.db2.gz SOJZZOZBAVUANY-QFYYESIMSA-N 0 0 391.411 3.548 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)COc3ccc(C(C)C)cc3)CC2)cc1 ZINC001295271786 1044969731 /nfs/dbraw/zinc/96/97/31/1044969731.db2.gz AJJLRSJILMHGSQ-UHFFFAOYSA-N 0 0 382.504 3.936 20 10 GHCDRN Cc1ccc(S(=O)(=O)NCc2ccc(Br)cc2O)cc1Cl ZINC001259138596 1044978577 /nfs/dbraw/zinc/97/85/77/1044978577.db2.gz SEJXDUHGMQEHGV-UHFFFAOYSA-N 0 0 390.686 3.595 20 10 GHCDRN O=S(=O)(c1cccc(-c2ccccc2)c1)N1CCCc2cc(O)c(O)cc2C1 ZINC001259230510 1045025143 /nfs/dbraw/zinc/02/51/43/1045025143.db2.gz SIFFSYBZXLNBTM-UHFFFAOYSA-N 0 0 395.480 3.902 20 10 GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@@H]1CCc2ccccc21 ZINC001295590848 1045061727 /nfs/dbraw/zinc/06/17/27/1045061727.db2.gz QFTYZUGXGKPZGZ-HNNXBMFYSA-N 0 0 387.863 3.667 20 10 GHCDRN Cc1cccc(CS(=O)(=O)NCc2cc(Cl)c3cccnc3c2O)c1 ZINC001259751419 1045286696 /nfs/dbraw/zinc/28/66/96/1045286696.db2.gz OIYPEPCLPQIYGB-UHFFFAOYSA-N 0 0 376.865 3.522 20 10 GHCDRN CCO[C@H]1C[C@@H](N(C)c2nnc(C)n2CCCSc2nccs2)C1(C)C ZINC001296927872 1045399664 /nfs/dbraw/zinc/39/96/64/1045399664.db2.gz UBKCFMNCNXQILI-CABCVRRESA-N 0 0 395.598 3.865 20 10 GHCDRN O=C(CCCCc1cccc(O)c1)NCc1cccc(Br)c1O ZINC001297439111 1045523468 /nfs/dbraw/zinc/52/34/68/1045523468.db2.gz FELLSXKWUDHKLD-UHFFFAOYSA-N 0 0 378.266 3.890 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1scc(Br)c1C ZINC001297563080 1045571165 /nfs/dbraw/zinc/57/11/65/1045571165.db2.gz VYVZONOINREAFL-UHFFFAOYSA-N 0 0 375.284 3.940 20 10 GHCDRN O=S(=O)(Nc1cc(F)cc(F)c1Cl)c1ccc(Cl)c2nonc21 ZINC001261072730 1045888958 /nfs/dbraw/zinc/88/89/58/1045888958.db2.gz DMUBQMWXWFLQNZ-UHFFFAOYSA-N 0 0 380.159 3.609 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)CCNC(=O)OC(C)(C)C)c1 ZINC001299050085 1046003780 /nfs/dbraw/zinc/00/37/80/1046003780.db2.gz NLKZTQJERYPTPS-UHFFFAOYSA-N 0 0 399.491 3.503 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCOC[C@H]2c2ccnn2C)c1 ZINC001261506675 1046014614 /nfs/dbraw/zinc/01/46/14/1046014614.db2.gz AJQBRSLAXDQWHV-FQEVSTJZSA-N 0 0 398.894 3.695 20 10 GHCDRN Cc1cc(C(=O)N2CCOC[C@H]2c2cc(F)cc(F)c2)c(C)n1-c1ccccn1 ZINC001300852751 1046208984 /nfs/dbraw/zinc/20/89/84/1046208984.db2.gz LTQWVGQRWMRAKR-FQEVSTJZSA-N 0 0 397.425 3.981 20 10 GHCDRN Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)NCc1cc(C)ccc1O 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GHCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(CC(C)C)s3)cc2)CC1 ZINC001466883000 1066366073 /nfs/dbraw/zinc/36/60/73/1066366073.db2.gz VHKQLAGUNKJBOG-UHFFFAOYSA-N 0 0 399.560 3.545 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N(Cc1cccc(F)c1)C1CCC1 ZINC001477598478 1078483978 /nfs/dbraw/zinc/48/39/78/1078483978.db2.gz IUTMRDOBCYRKFI-UHFFFAOYSA-N 0 0 397.494 3.927 20 10 GHCDRN COCCn1c(-c2oc3ccccc3c2C)nnc1N(C)Cc1ccccc1O ZINC001357714604 1067242184 /nfs/dbraw/zinc/24/21/84/1067242184.db2.gz IDSLNKXCCIUBOD-UHFFFAOYSA-N 0 0 392.459 3.988 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H](O)Cc3ccccc3)cc2Cl)C1 ZINC001467501708 1067330284 /nfs/dbraw/zinc/33/02/84/1067330284.db2.gz GBQCFJPKWDGZNK-KKSFZXQISA-N 0 0 386.923 3.796 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc4ncn(C)c4n3)cc2Cl)C1 ZINC001467502105 1067331937 /nfs/dbraw/zinc/33/19/37/1067331937.db2.gz KCDJQMNLCXKCEI-AWEZNQCLSA-N 0 0 397.910 3.788 20 10 GHCDRN CCOc1cccc([C@@H](C)NC(=O)N(C)CCN(C)c2ccc(OC)cc2)c1 ZINC001477655724 1078511700 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COc1ccc(N(CC(=O)NCCc2cccc3cccnc32)CC2CC2)cc1 ZINC001473486147 1073985615 /nfs/dbraw/zinc/98/56/15/1073985615.db2.gz QJODLCQRAGWKQV-UHFFFAOYSA-N 0 0 389.499 3.819 20 10 GHCDRN COc1cc2c(c(OC)c1)N(Cc1ccc(OCc3nccn3C)cc1)CCC2 ZINC001473554175 1074013155 /nfs/dbraw/zinc/01/31/55/1074013155.db2.gz YSDLXOXKPQTRQK-UHFFFAOYSA-N 0 0 393.487 3.969 20 10 GHCDRN CC(C)CON(CC(=O)NCc1ccc(N(C)C)cc1)CC1CCCCC1 ZINC001473604023 1074042919 /nfs/dbraw/zinc/04/29/19/1074042919.db2.gz AOIOUYZBAWENBW-UHFFFAOYSA-N 0 0 375.557 3.839 20 10 GHCDRN CC(=O)c1cc(Cl)cc(C[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)c1[O-] ZINC001473639036 1074061916 /nfs/dbraw/zinc/06/19/16/1074061916.db2.gz SLEJBBQYXLQTDW-UHFFFAOYSA-N 0 0 384.904 3.983 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NC[C@@H]3C[C@H]3Cc3ccccc3)CC2)cc1 ZINC001479571059 1079232216 /nfs/dbraw/zinc/23/22/16/1079232216.db2.gz ILVQDAKGXHLKRY-RTWAWAEBSA-N 0 0 393.531 3.796 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc2c1OCCO2 ZINC001479533636 1079223963 /nfs/dbraw/zinc/22/39/63/1079223963.db2.gz HTZUIRUZSFEZKK-UHFFFAOYSA-N 0 0 383.492 3.644 20 10 GHCDRN C[C@H](NCc1c(O)cccc1Br)c1noc(Cc2ccccc2)n1 ZINC001474041102 1074245647 /nfs/dbraw/zinc/24/56/47/1074245647.db2.gz KNPRIOHEZASNME-LBPRGKRZSA-N 0 0 388.265 3.979 20 10 GHCDRN Oc1c(F)cc(Br)cc1CNc1ccn(Cc2ccncc2)n1 ZINC001474064494 1074251752 /nfs/dbraw/zinc/25/17/52/1074251752.db2.gz HTRWQCXNTOLXOZ-UHFFFAOYSA-N 0 0 377.217 3.546 20 10 GHCDRN Cc1cc(C[NH2+]Cc2cc(F)cc(F)c2[O-])ccc1I ZINC001474129919 1074271000 /nfs/dbraw/zinc/27/10/00/1074271000.db2.gz ACVPWAROURJJAH-UHFFFAOYSA-N 0 0 389.183 3.873 20 10 GHCDRN CC(C)([NH2+]Cc1cc(Br)cc(F)c1[O-])C(=O)Nc1ccccc1 ZINC001474222458 1074298921 /nfs/dbraw/zinc/29/89/21/1074298921.db2.gz SACFFOARYYWFGH-UHFFFAOYSA-N 0 0 381.245 3.801 20 10 GHCDRN CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001474308195 1074334072 /nfs/dbraw/zinc/33/40/72/1074334072.db2.gz IDAZPTKQORDIHX-JTQLQIEISA-N 0 0 376.678 3.583 20 10 GHCDRN COc1cccc(OCCN2CCN(Cc3c(O)cc(C)cc3Cl)CC2)c1 ZINC001474315004 1074338269 /nfs/dbraw/zinc/33/82/69/1074338269.db2.gz ZGLCVTZOZVQYQN-UHFFFAOYSA-N 0 0 390.911 3.559 20 10 GHCDRN Cc1cc(Br)cn2cc(CC[NH2+]Cc3ccc(F)c(F)c3[O-])nc12 ZINC001474425040 1074401407 /nfs/dbraw/zinc/40/14/07/1074401407.db2.gz WVHPNGFWACXGFH-UHFFFAOYSA-N 0 0 396.235 3.721 20 10 GHCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]CCC1CSC1 ZINC001474756415 1074547306 /nfs/dbraw/zinc/54/73/06/1074547306.db2.gz FRBGHHOXGUEHJP-UHFFFAOYSA-N 0 0 381.133 3.760 20 10 GHCDRN Cc1nc(S(=O)(=O)NCc2ccc(N(C)C)cc2)c(-c2ccccc2)s1 ZINC001474791355 1074565112 /nfs/dbraw/zinc/56/51/12/1074565112.db2.gz DAFJLDLELCHOBF-UHFFFAOYSA-N 0 0 387.530 3.663 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC001475402593 1074862402 /nfs/dbraw/zinc/86/24/02/1074862402.db2.gz DKFQAFQAIPDASP-QGZVFWFLSA-N 0 0 386.561 3.849 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1cncc(Br)c1 ZINC001476360944 1075133433 /nfs/dbraw/zinc/13/34/33/1075133433.db2.gz 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UTWIFBVURPBSTD-GFCCVEGCSA-N 0 0 378.523 3.644 20 10 GHCDRN CCCOc1ccc(CNc2cc(CS(C)(=O)=O)ccc2OC)c(C)c1 ZINC000850294715 876790318 /nfs/dbraw/zinc/79/03/18/876790318.db2.gz MGLHBRWJRMDYNV-UHFFFAOYSA-N 0 0 377.506 3.949 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccccc1-n1cccc1 ZINC001129660415 883064881 /nfs/dbraw/zinc/06/48/81/883064881.db2.gz QVXRMMOPQOYJCW-UHFFFAOYSA-N 0 0 397.425 3.522 20 10 GHCDRN CCN(CC)c1ccc(CNc2ccc(OCCS(C)(=O)=O)cc2)cc1 ZINC000850347675 876838899 /nfs/dbraw/zinc/83/88/99/876838899.db2.gz YDNLNLLANOYVNB-UHFFFAOYSA-N 0 0 376.522 3.568 20 10 GHCDRN COC(=O)CC1(CC(=O)Nc2c(-c3ccccn3)nc3ccccn32)CCCC1 ZINC000786632771 876849631 /nfs/dbraw/zinc/84/96/31/876849631.db2.gz XSXAJXYRKDNFEH-UHFFFAOYSA-N 0 0 392.459 3.848 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NC2CCC(C(N)=O)CC2)cc1 ZINC000772687275 876878160 /nfs/dbraw/zinc/87/81/60/876878160.db2.gz BTLWGBKHCJDNHY-UHFFFAOYSA-N 0 0 393.491 3.942 20 10 GHCDRN COC(=O)[C@@H]1CCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)[C@@H]1C 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3.615 20 10 GHCDRN O=S(=O)(Nc1ccc(O)c(F)c1F)c1ccc(Oc2cccnc2)cc1 ZINC001188882374 916249584 /nfs/dbraw/zinc/24/95/84/916249584.db2.gz QKLGRFVPFDJGPA-UHFFFAOYSA-N 0 0 378.356 3.659 20 10 GHCDRN Cc1cc(C(=O)Cn2cnc(-c3ccccn3)n2)c(C)n1-c1ccc(Cl)cn1 ZINC001189079215 916393369 /nfs/dbraw/zinc/39/33/69/916393369.db2.gz WEHVNALCBBCXCO-UHFFFAOYSA-N 0 0 392.850 3.679 20 10 GHCDRN O=C(NC[C@@H](O)c1ccc(O)c(O)c1)Nc1ccc(OCc2ccccc2)cc1 ZINC001189139142 916422736 /nfs/dbraw/zinc/42/27/36/916422736.db2.gz LCLPMMWFLUIFHE-OAQYLSRUSA-N 0 0 394.427 3.532 20 10 GHCDRN O=C(NCc1ccccc1O)c1ccc(Oc2nccc(C(F)(F)F)n2)cc1 ZINC001189329931 916557475 /nfs/dbraw/zinc/55/74/75/916557475.db2.gz BKTRHPYPYVZILA-UHFFFAOYSA-N 0 0 389.333 3.923 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@@H](n3cc(C)cn3)C2)CCCC1 ZINC000650042993 916669856 /nfs/dbraw/zinc/66/98/56/916669856.db2.gz KJCVTZRDRNCKAK-QGZVFWFLSA-N 0 0 392.503 3.507 20 10 GHCDRN C[C@H](NCc1ccn(-c2cccc(F)c2)n1)c1ccc(N2CCOCC2)cc1 ZINC000775258268 916693353 /nfs/dbraw/zinc/69/33/53/916693353.db2.gz VTZBJYWVZMLYEN-KRWDZBQOSA-N 0 0 380.467 3.699 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC4(CCOCC4)[C@@H]3C3CC3)ccc21 ZINC000294317885 916732503 /nfs/dbraw/zinc/73/25/03/916732503.db2.gz TWUGUIVKHNVVAG-QFIPXVFZSA-N 0 0 396.531 3.936 20 10 GHCDRN C[C@@H]1CCCCN1S(=O)(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC001189682350 916803958 /nfs/dbraw/zinc/80/39/58/916803958.db2.gz AQPUMKVJROVTEK-JKSUJKDBSA-N 0 0 399.988 3.785 20 10 GHCDRN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCC[C@@H]1CF ZINC000294542347 916856060 /nfs/dbraw/zinc/85/60/60/916856060.db2.gz ZVRZYIGCAZCYEJ-XTCQQWIJSA-N 0 0 398.550 3.690 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)CSc2nc3ncc(Cl)cc3o2)cc1 ZINC001190176904 917175796 /nfs/dbraw/zinc/17/57/96/917175796.db2.gz ITZVPEBQKGXGBP-UHFFFAOYSA-N 0 0 390.896 3.693 20 10 GHCDRN Cc1cc(C(=O)CS[C@H]2CCCS(=O)(=O)C2)c(C)n1-c1cccc(C)c1 ZINC001190257508 917215195 /nfs/dbraw/zinc/21/51/95/917215195.db2.gz NEIXGMIGMDEERZ-SFHVURJKSA-N 0 0 391.558 3.896 20 10 GHCDRN COC(=O)c1cnc(S[C@@H](C(=O)Nc2ccccc2OC)C(C)C)s1 ZINC000295292620 917254646 /nfs/dbraw/zinc/25/46/46/917254646.db2.gz LOGRHMLUZQHCLC-CQSZACIVSA-N 0 0 380.491 3.694 20 10 GHCDRN Cc1c(CO)cc([N+](=O)[O-])c(N(C)Cc2ccc(OC(F)F)cc2)c1[N+](=O)[O-] ZINC000796445173 917341200 /nfs/dbraw/zinc/34/12/00/917341200.db2.gz KNBYINCDVGWYFF-UHFFFAOYSA-N 0 0 397.334 3.542 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(Cl)n(C)nc1C(F)(F)F ZINC001190533091 917387386 /nfs/dbraw/zinc/38/73/86/917387386.db2.gz ZTEGHMIWGHARME-UHFFFAOYSA-N 0 0 388.821 3.821 20 10 GHCDRN COC1CCN(c2ccc(CN3CCC(C(=O)C(F)(F)F)CC3)cc2)CC1 ZINC000295750684 917464976 /nfs/dbraw/zinc/46/49/76/917464976.db2.gz NTFHNTJWNYYPQW-UHFFFAOYSA-N 0 0 384.442 3.645 20 10 GHCDRN CC(C)[C@@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)S(=O)(=O)C1CCCCC1 ZINC000775402613 917474890 /nfs/dbraw/zinc/47/48/90/917474890.db2.gz FCKSRVWKMRZZPP-UZLBHIALSA-N 0 0 394.581 3.702 20 10 GHCDRN Cc1sc2nc(CCC(=O)N[C@H](C)c3ccc(N(C)C)cc3)[nH]c(=O)c2c1C ZINC000775407727 917530048 /nfs/dbraw/zinc/53/00/48/917530048.db2.gz UMTPGZPHFMOORX-CYBMUJFWSA-N 0 0 398.532 3.890 20 10 GHCDRN C[C@H](NC(=O)c1ccc(S[C@H]2CCOC2=O)cc1)c1ccc(N(C)C)cc1 ZINC000775408258 917545909 /nfs/dbraw/zinc/54/59/09/917545909.db2.gz YHMKOBXMAVVBFG-LIRRHRJNSA-N 0 0 384.501 3.651 20 10 GHCDRN C[C@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(N(C)C)cc1 ZINC000775410879 917553296 /nfs/dbraw/zinc/55/32/96/917553296.db2.gz NKCIONKIUDWKDM-AWEZNQCLSA-N 0 0 393.447 3.552 20 10 GHCDRN CN(C)c1ccc(N=Nc2cccc(C(=O)n3c(Cl)ncc(N)c3=N)c2)cc1 ZINC001190964195 917669240 /nfs/dbraw/zinc/66/92/40/917669240.db2.gz LRONBPBURRYMFM-UHFFFAOYSA-N 0 0 395.854 3.768 20 10 GHCDRN C[C@H](NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc(N(C)C)cc1 ZINC000775473805 918127367 /nfs/dbraw/zinc/12/73/67/918127367.db2.gz BFEVDPPGLUKADJ-INIZCTEOSA-N 0 0 380.492 3.871 20 10 GHCDRN Cc1cc(C(=O)CN2CCOC[C@H]2CC(F)F)c(C)n1-c1ccc(F)cc1 ZINC000796577566 918323904 /nfs/dbraw/zinc/32/39/04/918323904.db2.gz FOTRLPRTMNAQPZ-QGZVFWFLSA-N 0 0 380.410 3.772 20 10 GHCDRN COc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1O ZINC000001416421 918859293 /nfs/dbraw/zinc/85/92/93/918859293.db2.gz JOYZXYFCXUONDY-BOPFTXTBSA-N 0 0 386.498 3.873 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NC[C@H]1CCCCC1(F)F ZINC000297037398 918997701 /nfs/dbraw/zinc/99/77/01/918997701.db2.gz XAFXFCDJXXCQQU-GOSISDBHSA-N 0 0 395.494 3.520 20 10 GHCDRN C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000297316257 919239048 /nfs/dbraw/zinc/23/90/48/919239048.db2.gz IQABRUKWZQYFKQ-ZMSDIMECSA-N 0 0 399.457 3.784 20 10 GHCDRN C[C@@H](NC(=O)c1cccc(-n2cccc2)c1)c1ccc(N2CCOCC2)cc1 ZINC000145571011 919335754 /nfs/dbraw/zinc/33/57/54/919335754.db2.gz VKKUFLWCPAFSIO-GOSISDBHSA-N 0 0 375.472 3.805 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(Br)cnc1Cl ZINC000115280152 919446264 /nfs/dbraw/zinc/44/62/64/919446264.db2.gz GBUVWJNGEUUZTL-UHFFFAOYSA-N 0 0 382.689 3.802 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000283469338 919622046 /nfs/dbraw/zinc/62/20/46/919622046.db2.gz BAVIJGFCBMANPG-UHFFFAOYSA-N 0 0 395.381 3.573 20 10 GHCDRN Cc1cc(O)c(CNc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)cc1C ZINC000800310552 919886117 /nfs/dbraw/zinc/88/61/17/919886117.db2.gz AKANZRWQUULHNP-UHFFFAOYSA-N 0 0 394.519 3.802 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000800541930 920260532 /nfs/dbraw/zinc/26/05/32/920260532.db2.gz WIVJEUQKPFZNNS-FNORWQNLSA-N 0 0 378.350 3.628 20 10 GHCDRN O=C(NCc1ccc(I)c(Cl)c1)C1=CC(=O)CS1 ZINC000800700059 920374776 /nfs/dbraw/zinc/37/47/76/920374776.db2.gz QFVCXLJWLWREDM-UHFFFAOYSA-N 0 0 393.633 3.642 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)CS2)C[C@H]1c1ccccc1 ZINC000800702449 920377253 /nfs/dbraw/zinc/37/72/53/920377253.db2.gz MFNWPBHKPRKDNM-JKSUJKDBSA-N 0 0 388.489 3.587 20 10 GHCDRN C[C@H](CO)CCCNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800711458 920383950 /nfs/dbraw/zinc/38/39/50/920383950.db2.gz KCCOLGXJLUCAKP-HOTGVXAUSA-N 0 0 381.948 3.784 20 10 GHCDRN CC(C)[C@H](CCO)NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800719585 920390487 /nfs/dbraw/zinc/39/04/87/920390487.db2.gz LLQBZUQZHPKSLK-YJBOKZPZSA-N 0 0 381.948 3.783 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)N[C@@]3(C)CCCOC3)cc2Cl)C1 ZINC000800719240 920392528 /nfs/dbraw/zinc/39/25/28/920392528.db2.gz IKGFZOZPMHLIKC-YWZLYKJASA-N 0 0 379.932 3.945 20 10 GHCDRN CC(=O)NCCCCCC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000298343348 920425381 /nfs/dbraw/zinc/42/53/81/920425381.db2.gz PTVPDSYQWKFSAA-UHFFFAOYSA-N 0 0 385.508 3.571 20 10 GHCDRN COc1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(OC)c1 ZINC000298662501 920775676 /nfs/dbraw/zinc/77/56/76/920775676.db2.gz HREROIXLTZRRGD-QGZVFWFLSA-N 0 0 386.448 3.623 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000298662312 920776385 /nfs/dbraw/zinc/77/63/85/920776385.db2.gz JGNHACDGOBVFGN-IRXDYDNUSA-N 0 0 384.442 3.850 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)NC1CCN(C(=O)OC(C)C)CC1 ZINC000802151204 921866882 /nfs/dbraw/zinc/86/68/82/921866882.db2.gz QQGQFEFLZKIHQL-UHFFFAOYSA-N 0 0 391.512 3.713 20 10 GHCDRN CCc1nc2cc(CNC(=O)/C=C/c3ccc(O)c(O)c3)ccc2n1C1CC1 ZINC000802186358 921888796 /nfs/dbraw/zinc/88/87/96/921888796.db2.gz CQKGGOMXYGVDJY-BJMVGYQFSA-N 0 0 377.444 3.674 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C)c(OCC)c1 ZINC000802609620 922254466 /nfs/dbraw/zinc/25/44/66/922254466.db2.gz FZBTUAOVIUJPCU-UHFFFAOYSA-N 0 0 384.476 3.867 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000802609729 922255867 /nfs/dbraw/zinc/25/58/67/922255867.db2.gz ICQPQJWSBSKGNJ-UHFFFAOYSA-N 0 0 395.503 3.760 20 10 GHCDRN Cn1cc(-c2ccc(C[N@H+](C)Cc3ccc(N4CCOCC4)cc3)s2)cn1 ZINC000802637555 922273345 /nfs/dbraw/zinc/27/33/45/922273345.db2.gz RUDIYZJOGFOPBX-UHFFFAOYSA-N 0 0 382.533 3.617 20 10 GHCDRN CC[C@@H](C)c1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1CC(C)C ZINC000802676417 922333489 /nfs/dbraw/zinc/33/34/89/922333489.db2.gz QJTKPYNHOYNOQU-MRXNPFEDSA-N 0 0 389.519 3.922 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000803129344 922718227 /nfs/dbraw/zinc/71/82/27/922718227.db2.gz CZKBTPUETHFFBR-VXKWHMMOSA-N 0 0 393.531 3.520 20 10 GHCDRN C[C@H](NC(=O)C(=O)N[C@H]1CCCC[C@H]1c1ccccc1)c1ccc(N(C)C)cc1 ZINC000803130707 922719231 /nfs/dbraw/zinc/71/92/31/922719231.db2.gz BLAGGERDSKDLBQ-HSQYWUDLSA-N 0 0 393.531 3.772 20 10 GHCDRN CC[C@@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1ccc(Cl)c(Cl)c1[O-] ZINC000903372367 922969102 /nfs/dbraw/zinc/96/91/02/922969102.db2.gz KTNRLOHOMYGAGP-CQSZACIVSA-N 0 0 390.307 3.788 20 10 GHCDRN CC[C@H](CN(CC)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000803665385 923132016 /nfs/dbraw/zinc/13/20/16/923132016.db2.gz ZWXSELYHNDQDKE-GOSISDBHSA-N 0 0 399.510 3.550 20 10 GHCDRN CCn1cc(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c2ccccc21 ZINC000748211641 923507376 /nfs/dbraw/zinc/50/73/76/923507376.db2.gz WDIOOGMGBNWZFN-UHFFFAOYSA-N 0 0 391.515 3.699 20 10 GHCDRN O=C(NCc1ccccc1O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000748349277 923586588 /nfs/dbraw/zinc/58/65/88/923586588.db2.gz DVQSDPJXYMTKLH-LJQANCHMSA-N 0 0 388.467 3.714 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCC(O[C@H]4CCOC4)CC3)c2C)cc1 ZINC000748586266 923728388 /nfs/dbraw/zinc/72/83/88/923728388.db2.gz UAQNZYMWCIFEBH-NRFANRHFSA-N 0 0 398.503 3.513 20 10 GHCDRN CCO[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCSCC3)cc2)C1(C)C ZINC000748615245 923744377 /nfs/dbraw/zinc/74/43/77/923744377.db2.gz OJSBDAAFCMJGJS-MOPGFXCFSA-N 0 0 391.581 3.585 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Cc3ccccc3OC(C)C)CC2)cc1 ZINC000748626670 923753747 /nfs/dbraw/zinc/75/37/47/923753747.db2.gz NQWCALITNDKUKP-UHFFFAOYSA-N 0 0 382.504 3.764 20 10 GHCDRN CN(C)c1ccc(CNC(=O)CCc2ccc(Br)cc2)cc1F ZINC000748705258 923789817 /nfs/dbraw/zinc/78/98/17/923789817.db2.gz DONGZXHURDZZNT-UHFFFAOYSA-N 0 0 379.273 3.903 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2cnc(C)s2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000748881890 923891264 /nfs/dbraw/zinc/89/12/64/923891264.db2.gz BEUYMGMOZZSAEP-UHFFFAOYSA-N 0 0 398.440 3.627 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2c(C)nn(C)c2C)c(C)n1-c1cccc(F)c1 ZINC000010197634 923920479 /nfs/dbraw/zinc/92/04/79/923920479.db2.gz QXQOWDDJOWVNNU-UHFFFAOYSA-N 0 0 383.423 3.623 20 10 GHCDRN Cc1cc(C(=O)COC(=O)Cc2c(C)nn(C)c2C)c(C)n1-c1ccc(F)cc1 ZINC000010199663 923921990 /nfs/dbraw/zinc/92/19/90/923921990.db2.gz YDVNOGDAFNEUAW-UHFFFAOYSA-N 0 0 397.450 3.552 20 10 GHCDRN CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)cc1 ZINC000749169197 924061604 /nfs/dbraw/zinc/06/16/04/924061604.db2.gz PLSTUBWYTIVSOZ-UHFFFAOYSA-N 0 0 388.533 3.802 20 10 GHCDRN COc1ccc(CNC(=O)C2CCN(c3nc4ccccc4s3)CC2)c(O)c1 ZINC000370619256 924207628 /nfs/dbraw/zinc/20/76/28/924207628.db2.gz YHQBVMUYBGBXCH-UHFFFAOYSA-N 0 0 397.500 3.543 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(Cl)nc2ccccc21 ZINC000010907227 924456993 /nfs/dbraw/zinc/45/69/93/924456993.db2.gz MPFCDXKRMGOZII-UHFFFAOYSA-N 0 0 395.890 3.997 20 10 GHCDRN O=C(c1cc(C(F)(F)F)ncn1)N(Cc1ccco1)Cc1ccccc1O ZINC001137343248 924885054 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COCCN1C(=O)CCc2cc(N[C@@H](C)c3cc(F)cc(F)c3O)ccc21 ZINC000779083675 1020351111 /nfs/dbraw/zinc/35/11/11/1020351111.db2.gz PFSKSTXQEDICRL-LBPRGKRZSA-N 0 0 376.403 3.769 20 10 GHCDRN CCOc1ccc(O)c(CN[C@@H](C(=O)OC)c2ccc(Br)cc2)c1 ZINC000779175886 1020453199 /nfs/dbraw/zinc/45/31/99/1020453199.db2.gz XHROUSJIUOXICX-QGZVFWFLSA-N 0 0 394.265 3.557 20 10 GHCDRN NC(=O)Cc1cccc(C(=O)c2ccccc2)c1Nc1cccc([N+](=O)[O-])c1 ZINC001204468473 1032907476 /nfs/dbraw/zinc/90/74/76/1032907476.db2.gz IFTTVGCQTQICGF-UHFFFAOYSA-N 0 0 375.384 3.597 20 10 GHCDRN CCCOc1nc2ccccc2cc1/C=C\C(=O)N1C[C@@H](O)Cc2ccccc21 ZINC001156172387 1032912144 /nfs/dbraw/zinc/91/21/44/1032912144.db2.gz OHISPOMYBHCCGH-DUQGCJEPSA-N 0 0 388.467 3.987 20 10 GHCDRN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000779224367 1020536059 /nfs/dbraw/zinc/53/60/59/1020536059.db2.gz BCIIDKKAYMUAQO-HXUWFJFHSA-N 0 0 395.330 3.768 20 10 GHCDRN Cc1ccc(OCc2nc(CC(=O)NCc3c(O)cccc3F)cs2)cc1 ZINC001156170006 1032911305 /nfs/dbraw/zinc/91/13/05/1032911305.db2.gz BMOZVKAICSYXGI-UHFFFAOYSA-N 0 0 386.448 3.734 20 10 GHCDRN Cn1c2ccccc2nc1[C@H]1CCCCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779501158 1020836491 /nfs/dbraw/zinc/83/64/91/1020836491.db2.gz WDTIHLYPRYROQI-SIKDUDHDSA-N 0 0 377.444 3.752 20 10 GHCDRN Cc1ccc([C@](O)(CC(=O)NCc2ccc(N3CCCC3)cc2)C(F)(F)F)o1 ZINC000193196131 1020918856 /nfs/dbraw/zinc/91/88/56/1020918856.db2.gz ZPXILNXQDYCNIO-LJQANCHMSA-N 0 0 396.409 3.645 20 10 GHCDRN COc1ccc([C@@H](NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)C(F)(F)F)cc1 ZINC000194006894 1020958280 /nfs/dbraw/zinc/95/82/80/1020958280.db2.gz SGCUVOYXOWSMSX-APPDUMDISA-N 0 0 398.381 3.640 20 10 GHCDRN COc1cccc(C(=O)NCc2cccc(Br)c2O)c1OC(C)C ZINC000834476469 1021214994 /nfs/dbraw/zinc/21/49/94/1021214994.db2.gz ZIAYJAJALBLGOM-UHFFFAOYSA-N 0 0 394.265 3.881 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)COCC1CCCC1 ZINC000834509568 1021234178 /nfs/dbraw/zinc/23/41/78/1021234178.db2.gz DMFBWBJITUJPAI-UHFFFAOYSA-N 0 0 390.524 3.582 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H](OC)C1CCCC1 ZINC000834509852 1021234459 /nfs/dbraw/zinc/23/44/59/1021234459.db2.gz OCSFZBOKKHBMQL-OAQYLSRUSA-N 0 0 390.524 3.580 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H](C)CC(F)(F)F ZINC000834509671 1021234486 /nfs/dbraw/zinc/23/44/86/1021234486.db2.gz HEXRMUQBHOARNH-CYBMUJFWSA-N 0 0 388.430 3.964 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H]1CCCC[C@@H]1OC ZINC000834519116 1021241001 /nfs/dbraw/zinc/24/10/01/1021241001.db2.gz ZMENLCFQVYOFKV-QUCCMNQESA-N 0 0 390.524 3.580 20 10 GHCDRN O=C(Cc1ccc(O)c(O)c1)NC1(c2ccc(Br)cc2)CCC1 ZINC001626158654 1021294642 /nfs/dbraw/zinc/29/46/42/1021294642.db2.gz YXPQRXKZTNWYRZ-UHFFFAOYSA-N 0 0 376.250 3.598 20 10 GHCDRN OC1CCN(c2ccc(CN(Cc3ccccn3)Cc3ccccn3)cc2)CC1 ZINC001140281440 1021309870 /nfs/dbraw/zinc/30/98/70/1021309870.db2.gz GIESCDYBENEMHS-UHFFFAOYSA-N 0 0 388.515 3.640 20 10 GHCDRN OC1CCN(c2ccc(CN3CCc4c([nH]nc4C(F)(F)F)C3)cc2)CC1 ZINC001140287224 1021319865 /nfs/dbraw/zinc/31/98/65/1021319865.db2.gz JWJNKHDKRIPPJJ-GOSISDBHSA-N 0 0 380.414 3.504 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccnc(Cl)c1Cl ZINC000900753891 1021347410 /nfs/dbraw/zinc/34/74/10/1021347410.db2.gz GMALSXGVANCYNM-UHFFFAOYSA-N 0 0 394.302 3.527 20 10 GHCDRN Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2c(O)cccc2Cl)n1 ZINC001140338284 1021442933 /nfs/dbraw/zinc/44/29/33/1021442933.db2.gz DMQLNARLGIHFJJ-CEWLAPEOSA-N 0 0 388.895 3.698 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC(N(Cc2c(O)cccc2Cl)C2COC2)CC1 ZINC001140341398 1021452482 /nfs/dbraw/zinc/45/24/82/1021452482.db2.gz MKWUDZZXIMCNCJ-UHFFFAOYSA-N 0 0 396.915 3.646 20 10 GHCDRN CON(CC1CCOCC1)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000801969657 1021458189 /nfs/dbraw/zinc/45/81/89/1021458189.db2.gz OHVNPMOPCNZVEE-UHFFFAOYSA-N 0 0 385.508 3.636 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000802041523 1021470037 /nfs/dbraw/zinc/47/00/37/1021470037.db2.gz YLOQRURJVYGCTL-SFHVURJKSA-N 0 0 381.476 3.509 20 10 GHCDRN Cc1cc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)c(C)n1-c1cccc(C)c1 ZINC000802247895 1021484448 /nfs/dbraw/zinc/48/44/48/1021484448.db2.gz ZFTVDHCMBQPNJL-DENIHFKCSA-N 0 0 396.531 3.700 20 10 GHCDRN C[C@@H](CCCO)C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000834870999 1021582613 /nfs/dbraw/zinc/58/26/13/1021582613.db2.gz MHXJVCZTOLAKQV-UWVGGRQHSA-N 0 0 395.135 3.976 20 10 GHCDRN CC[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cccc(Cl)c1[O-] ZINC000834882329 1021607304 /nfs/dbraw/zinc/60/73/04/1021607304.db2.gz NPEYGISQWOXJOV-KRWDZBQOSA-N 0 0 382.913 3.537 20 10 GHCDRN C[C@H](NCc1nn(C)cc1Br)c1cccc(C(F)(F)F)c1O ZINC000834884419 1021612532 /nfs/dbraw/zinc/61/25/32/1021612532.db2.gz LMBYDIGQLRPWLR-QMMMGPOBSA-N 0 0 378.192 3.758 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCO[C@H](c2ccnn2C)C1)c1cc(Br)cc(F)c1[O-] ZINC000834896782 1021639152 /nfs/dbraw/zinc/63/91/52/1021639152.db2.gz CRVWGNUTJKYREX-PKWAYOAASA-N 0 0 398.276 3.598 20 10 GHCDRN O=C(COc1cccc(NC(=O)NCc2ccccc2O)c1)Nc1ccccc1 ZINC000748447148 1021692625 /nfs/dbraw/zinc/69/26/25/1021692625.db2.gz LBSLCFUTCZFFJA-UHFFFAOYSA-N 0 0 391.427 3.731 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc([C@]2(C)CCCO2)n1CCc1ccccc1 ZINC000834940536 1021708968 /nfs/dbraw/zinc/70/89/68/1021708968.db2.gz OLXOHWXMECTATB-QHCPKHFHSA-N 0 0 392.503 3.888 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc3cnccc3c2)cc1 ZINC000835060701 1021831207 /nfs/dbraw/zinc/83/12/07/1021831207.db2.gz FZBVIABNQKQSQO-UHFFFAOYSA-N 0 0 390.487 3.678 20 10 GHCDRN CC(C)(C)N1CC[C@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)C1=O ZINC000827369825 1022102190 /nfs/dbraw/zinc/10/21/90/1022102190.db2.gz OUAWJHIXEOGSTK-SFHVURJKSA-N 0 0 387.524 3.636 20 10 GHCDRN CC(C)c1noc([C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3F)C2)n1 ZINC001140663365 1022202748 /nfs/dbraw/zinc/20/27/48/1022202748.db2.gz BVJAILLXIOKVCW-KRWDZBQOSA-N 0 0 388.487 3.548 20 10 GHCDRN Cc1cc(C(=O)CN2CCC(OCC(C)C)CC2)c(C)n1-c1ccc(F)cn1 ZINC000827473417 1022228892 /nfs/dbraw/zinc/22/88/92/1022228892.db2.gz RCAXHLCRYCYCHH-UHFFFAOYSA-N 0 0 387.499 3.948 20 10 GHCDRN COc1ccc(N(CC(=O)Nc2cccc(N3CCCC3=O)c2)C(C)C)cc1F ZINC000725815899 1022385367 /nfs/dbraw/zinc/38/53/67/1022385367.db2.gz DJHRBWSQDLXCTO-UHFFFAOYSA-N 0 0 399.466 3.815 20 10 GHCDRN COc1cc(Br)cc(CN2CCC[C@H](OCC(F)(F)F)C2)c1O ZINC000725846786 1022387678 /nfs/dbraw/zinc/38/76/78/1022387678.db2.gz NGQHTKSRMVDHIS-LBPRGKRZSA-N 0 0 398.219 3.707 20 10 GHCDRN C[C@@H](NC(=O)N1C[C@H](C)C[C@@H]1c1cccnc1)c1ccc(N2CCOCC2)cc1 ZINC000754162615 1022514305 /nfs/dbraw/zinc/51/43/05/1022514305.db2.gz GINIUIOAFOTYNL-JBYIUTFZSA-N 0 0 394.519 3.772 20 10 GHCDRN Cc1ccc(/C=C\C(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)cn1 ZINC000754301884 1022596728 /nfs/dbraw/zinc/59/67/28/1022596728.db2.gz JWEOPRFODZSZDO-CXOKCQFOSA-N 0 0 383.879 3.665 20 10 GHCDRN Cc1cc(CC(=O)OC2CCS(=O)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000836118913 1022660407 /nfs/dbraw/zinc/66/04/07/1022660407.db2.gz XNMNRDCSQQJPKG-UHFFFAOYSA-N 0 0 379.909 3.744 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCCC3CC(F)(F)C3)cc2F)C[C@@H](C)O1 ZINC000836240778 1022758666 /nfs/dbraw/zinc/75/86/66/1022758666.db2.gz JKZRMDNNXWBDTO-ZIAGYGMSSA-N 0 0 399.457 3.674 20 10 GHCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[C@@H]1COc2ccccc2C1 ZINC000754547456 1022763641 /nfs/dbraw/zinc/76/36/41/1022763641.db2.gz TVDFNQGREQBHMG-HNNXBMFYSA-N 0 0 383.403 3.652 20 10 GHCDRN O=C(NCCc1cc2ccccc2s1)NCc1ccc(N2CCOCC2)cc1 ZINC000836249715 1022770019 /nfs/dbraw/zinc/77/00/19/1022770019.db2.gz QBXUUUUWSQSJOX-UHFFFAOYSA-N 0 0 395.528 3.780 20 10 GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1c(C)cccc1Cl ZINC000754662353 1022816947 /nfs/dbraw/zinc/81/69/47/1022816947.db2.gz DWIDTWBKFPYTKZ-UHFFFAOYSA-N 0 0 396.270 3.752 20 10 GHCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cc1ccc(C(N)=O)cc1 ZINC000754664138 1022817869 /nfs/dbraw/zinc/81/78/69/1022817869.db2.gz LYLCFFDAHXADDZ-QGZVFWFLSA-N 0 0 388.467 3.824 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N3C[C@@]4(CCCO4)[C@H]3C3CC3)cc2)CC1 ZINC000836289672 1022830606 /nfs/dbraw/zinc/83/06/06/1022830606.db2.gz MRDVEBWSHAYZPU-GGAORHGYSA-N 0 0 383.536 3.776 20 10 GHCDRN CN(C)c1ccc(CN2CC[C@](F)(CNC(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001140925491 1022902294 /nfs/dbraw/zinc/90/22/94/1022902294.db2.gz BXSHAPVSQLWPSC-IBGZPJMESA-N 0 0 385.911 3.845 20 10 GHCDRN COC1(CCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCC1 ZINC000836474450 1023005529 /nfs/dbraw/zinc/00/55/29/1023005529.db2.gz JUTNZCNJTDHMRM-UHFFFAOYSA-N 0 0 397.466 3.515 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2cccc(OC(=O)NC)c2)cc1F ZINC000836646420 1023206836 /nfs/dbraw/zinc/20/68/36/1023206836.db2.gz GLKVVKVKANRKLY-UHFFFAOYSA-N 0 0 388.443 3.712 20 10 GHCDRN COc1cc(O)c(CN2CCCC[C@H]2c2noc(C(F)(F)F)n2)c(OC)c1 ZINC001141028405 1023275605 /nfs/dbraw/zinc/27/56/05/1023275605.db2.gz NFWRQAZLQUDEGE-LBPRGKRZSA-N 0 0 387.358 3.538 20 10 GHCDRN Cc1cc(C(=O)N(C)C[C@H](O)C2CC2)c(C)n1-c1ccccc1Br ZINC000755518552 1023281050 /nfs/dbraw/zinc/28/10/50/1023281050.db2.gz JLASDBZAMRIBRW-SFHVURJKSA-N 0 0 391.309 3.700 20 10 GHCDRN COc1cc(O)c(CN2CCN(c3ccc(F)c(Cl)c3F)CC2)c(OC)c1 ZINC001141031812 1023297961 /nfs/dbraw/zinc/29/79/61/1023297961.db2.gz MQMCHOBTYJHBRN-UHFFFAOYSA-N 0 0 398.837 3.663 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(Br)cnc2C)c1 ZINC000836736516 1023324071 /nfs/dbraw/zinc/32/40/71/1023324071.db2.gz KUPQCEJOJHGFQZ-VIFPVBQESA-N 0 0 380.242 3.749 20 10 GHCDRN c1nc(COCC2CC2)c2n1CCN(Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141077641 1023442194 /nfs/dbraw/zinc/44/21/94/1023442194.db2.gz VFKSOYLVKYIFHU-UHFFFAOYSA-N 0 0 392.547 3.524 20 10 GHCDRN CCOc1cc2c(cc1C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-])O[C@H](C)C2 ZINC000756361269 1023606422 /nfs/dbraw/zinc/60/64/22/1023606422.db2.gz JRHSZRGVUPLMNK-ZIAGYGMSSA-N 0 0 385.460 3.752 20 10 GHCDRN CCOc1cc2c(cc1C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])O[C@H](C)C2 ZINC000756361265 1023606824 /nfs/dbraw/zinc/60/68/24/1023606824.db2.gz JRHSZRGVUPLMNK-KGLIPLIRSA-N 0 0 385.460 3.752 20 10 GHCDRN CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])cc1 ZINC000756413154 1023634730 /nfs/dbraw/zinc/63/47/30/1023634730.db2.gz CCVBJXJQAIJYLV-NSHDSACASA-N 0 0 395.272 3.894 20 10 GHCDRN C[C@@H]([NH2+]CCCN(C)CC(F)(F)F)c1cc(Br)c(F)cc1[O-] ZINC000756420804 1023639130 /nfs/dbraw/zinc/63/91/30/1023639130.db2.gz WVTUCNDBULSXST-SECBINFHSA-N 0 0 387.215 3.829 20 10 GHCDRN Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])c1 ZINC000756453081 1023658604 /nfs/dbraw/zinc/65/86/04/1023658604.db2.gz CJDNLMIGHKMHPG-STQMWFEESA-N 0 0 398.272 3.693 20 10 GHCDRN CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756453938 1023659684 /nfs/dbraw/zinc/65/96/84/1023659684.db2.gz BLFNZIJBJMCSOY-NXEZZACHSA-N 0 0 377.710 3.764 20 10 GHCDRN C[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756454693 1023660414 /nfs/dbraw/zinc/66/04/14/1023660414.db2.gz DWYSUQREHFZGPL-LBPRGKRZSA-N 0 0 388.316 3.965 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1cc(Br)cc(F)c1[O-] ZINC000756455484 1023660480 /nfs/dbraw/zinc/66/04/80/1023660480.db2.gz DAJGDULGFAWWMW-OCCSQVGLSA-N 0 0 382.273 3.796 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccccc2OCC(F)(F)F)c1 ZINC000756460788 1023663949 /nfs/dbraw/zinc/66/39/49/1023663949.db2.gz RHBPIZKJFHAOTQ-LBPRGKRZSA-N 0 0 383.366 3.971 20 10 GHCDRN CNC(=O)c1cccc(C[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])c1 ZINC000756465738 1023667842 /nfs/dbraw/zinc/66/78/42/1023667842.db2.gz KTNKNEVSHDHASJ-SNVBAGLBSA-N 0 0 381.245 3.504 20 10 GHCDRN C[C@H]([NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1)c1cc(F)cc(F)c1[O-] ZINC000756474516 1023674201 /nfs/dbraw/zinc/67/42/01/1023674201.db2.gz JAAHMXIHZAAKND-DJJJIMSYSA-N 0 0 380.410 3.534 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](Cc2nccn2C)c2ccccc2)c1 ZINC000756622831 1023741298 /nfs/dbraw/zinc/74/12/98/1023741298.db2.gz ZJMJVBAZFPSVOY-DNVCBOLYSA-N 0 0 379.460 3.547 20 10 GHCDRN COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756638025 1023748821 /nfs/dbraw/zinc/74/88/21/1023748821.db2.gz QMWQQFVXIGZDBD-NSHDSACASA-N 0 0 393.827 3.642 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCc2coc(-c3ccc(F)cc3)n2)c1 ZINC000756674916 1023770139 /nfs/dbraw/zinc/77/01/39/1023770139.db2.gz CWSXSBSWTAORTQ-CYBMUJFWSA-N 0 0 384.407 3.866 20 10 GHCDRN CC(=O)c1ccc2c(c1)CCN(C(=O)NCc1ccc(N(C)C)cc1C)CC2 ZINC000756705062 1023782257 /nfs/dbraw/zinc/78/22/57/1023782257.db2.gz UWSQSJNPAVZOOU-UHFFFAOYSA-N 0 0 379.504 3.574 20 10 GHCDRN C[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1cc(Br)c(F)cc1[O-] ZINC000756763665 1023805482 /nfs/dbraw/zinc/80/54/82/1023805482.db2.gz XMQRVCNZCZVRHN-BDJLRTHQSA-N 0 0 399.304 3.878 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cc(Br)c(F)cc1[O-] ZINC000756764379 1023805599 /nfs/dbraw/zinc/80/55/99/1023805599.db2.gz HYPJFOIAWUAKSW-NWDGAFQWSA-N 0 0 388.277 3.673 20 10 GHCDRN C[C@H]1C[C@H](Nc2ccc(N3CCCS3(=O)=O)cc2)c2c1c(F)ccc2O ZINC000756798255 1023817910 /nfs/dbraw/zinc/81/79/10/1023817910.db2.gz WQNVLNSHAYRCIS-LRDDRELGSA-N 0 0 376.453 3.732 20 10 GHCDRN C[C@@H](Nc1cnn(CC(=O)NC2CCCC2)c1)c1ccc2ccccc2c1O ZINC000756867981 1023840852 /nfs/dbraw/zinc/84/08/52/1023840852.db2.gz ODJKOZYDYSQJFC-OAHLLOKOSA-N 0 0 378.476 3.974 20 10 GHCDRN CC[C@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000756925008 1023868992 /nfs/dbraw/zinc/86/89/92/1023868992.db2.gz ZHMHMUBZNBVGFT-KBXCAEBGSA-N 0 0 399.457 3.920 20 10 GHCDRN CC(C)(C)OC(=O)NCC1(C(=O)NCCCSc2nccs2)CCCC1 ZINC000756936340 1023875189 /nfs/dbraw/zinc/87/51/89/1023875189.db2.gz HQJSJXDRKXHEJO-UHFFFAOYSA-N 0 0 399.582 3.827 20 10 GHCDRN CCN(C(=O)C1=CC(=O)CS1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000828477611 1023949220 /nfs/dbraw/zinc/94/92/20/1023949220.db2.gz FXAMVTGFAIHJIV-UHFFFAOYSA-N 0 0 388.537 3.807 20 10 GHCDRN Cc1cc(C(=O)NC[C@@H]2CC(C)=NO2)c(C)n1-c1cccc(Br)c1 ZINC001141215492 1024157476 /nfs/dbraw/zinc/15/74/76/1024157476.db2.gz KGRZLRGRFZAFII-INIZCTEOSA-N 0 0 390.281 3.751 20 10 GHCDRN CC(C)(C)OC(=O)NC1([C@H]2C[N@H+](Cc3cccc(F)c3[O-])C[C@H]2CF)CC1 ZINC001138123727 1024167181 /nfs/dbraw/zinc/16/71/81/1024167181.db2.gz JCMVGQNAUQPTAO-CABCVRRESA-N 0 0 382.451 3.606 20 10 GHCDRN [O-]c1c(F)cccc1C[NH+]1CCC2(CCOC[C@@H]2COc2ccccn2)CC1 ZINC001138126732 1024171212 /nfs/dbraw/zinc/17/12/12/1024171212.db2.gz JAEXGHQSEWWAJR-GOSISDBHSA-N 0 0 386.467 3.624 20 10 GHCDRN Cc1cncc(COCc2cnc3n2CCN(Cc2cccc(F)c2O)[C@H]3C)c1 ZINC001138127218 1024173837 /nfs/dbraw/zinc/17/38/37/1024173837.db2.gz TVSBZKOIXYBPKX-INIZCTEOSA-N 0 0 396.466 3.725 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(Cc2cccc(F)c2O)C[C@@H]1C(F)(F)F ZINC001138131351 1024186154 /nfs/dbraw/zinc/18/61/54/1024186154.db2.gz XRPXZDIAOGBYPJ-CYBMUJFWSA-N 0 0 378.366 3.515 20 10 GHCDRN O=C(NCc1ccc(Cl)cc1)C1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC001138132795 1024192366 /nfs/dbraw/zinc/19/23/66/1024192366.db2.gz POUNIESSYHYRNX-UHFFFAOYSA-N 0 0 376.859 3.713 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)Nc3nc(CN(C)C)cs3)c2C)cc1 ZINC000837264433 1024300623 /nfs/dbraw/zinc/30/06/23/1024300623.db2.gz YPISYXRMJZXHKI-UHFFFAOYSA-N 0 0 384.505 3.873 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)c3cn(CC4CC4)nn3)cc2Cl)C1 ZINC000831276440 1024465173 /nfs/dbraw/zinc/46/51/73/1024465173.db2.gz LJAIABGZWBIBOZ-CQSZACIVSA-N 0 0 387.915 3.508 20 10 GHCDRN Cc1ccc(C(=O)Nc2ccnc(N3CCc4ccccc4C3)c2)c(O)c1O ZINC001141321933 1024542712 /nfs/dbraw/zinc/54/27/12/1024542712.db2.gz WATJVVWRICRGSR-UHFFFAOYSA-N 0 0 375.428 3.616 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2nc(C)sc2C)c(C)n1-c1ccc(F)cn1 ZINC000837592077 1024571529 /nfs/dbraw/zinc/57/15/29/1024571529.db2.gz LHHWMJBZOLZAFQ-UHFFFAOYSA-N 0 0 387.436 3.741 20 10 GHCDRN Cc1ccnc(CN(C)Cc2ccc(N3CCOCC3)cc2)c1Br ZINC001205033967 1033221340 /nfs/dbraw/zinc/22/13/40/1033221340.db2.gz ZZGHRRSVCGUGTP-UHFFFAOYSA-N 0 0 390.325 3.621 20 10 GHCDRN CO[C@H]1CCN(CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)C[C@H]1C ZINC000831533938 1024623477 /nfs/dbraw/zinc/62/34/77/1024623477.db2.gz LVVZXCDRTPMUTF-YJYMSZOUSA-N 0 0 375.900 3.682 20 10 GHCDRN Cc1ccc2cc(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)ccc2n1 ZINC000837708401 1024651746 /nfs/dbraw/zinc/65/17/46/1024651746.db2.gz UNULZAPNPJCPEW-UHFFFAOYSA-N 0 0 397.425 3.588 20 10 GHCDRN O=C(Cc1cccc(C(F)F)c1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837711269 1024654920 /nfs/dbraw/zinc/65/49/20/1024654920.db2.gz ZAXZYWDXYNNBLB-UHFFFAOYSA-N 0 0 396.384 3.598 20 10 GHCDRN C[C@H]1c2ncc(COCC3CC3)n2CCN1Cc1ccc2c(c1)CCCN2C ZINC001138357896 1024723040 /nfs/dbraw/zinc/72/30/40/1024723040.db2.gz XQXSEOYMMCLBSQ-KRWDZBQOSA-N 0 0 380.536 3.769 20 10 GHCDRN CCOC(=O)C1(C)CC[NH+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141373237 1024762312 /nfs/dbraw/zinc/76/23/12/1024762312.db2.gz UAFGSPSAOIWIFA-UHFFFAOYSA-N 0 0 390.705 3.973 20 10 GHCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC000831706772 1024767389 /nfs/dbraw/zinc/76/73/89/1024767389.db2.gz LDNLTPHVELQJEN-CRAIPNDOSA-N 0 0 376.460 3.720 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001141375093 1024769280 /nfs/dbraw/zinc/76/92/80/1024769280.db2.gz WPOOAHADBRUSNZ-CYBMUJFWSA-N 0 0 382.632 3.808 20 10 GHCDRN CCN(CC)c1ccc(CN2CCN(C(=O)c3ccc(C)cc3)CC2)c(OC)c1 ZINC001138392096 1024769305 /nfs/dbraw/zinc/76/93/05/1024769305.db2.gz QBKWCUKCWSDVKI-UHFFFAOYSA-N 0 0 395.547 3.808 20 10 GHCDRN CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)N2CCc3ccncc32)C1 ZINC000831789380 1024863353 /nfs/dbraw/zinc/86/33/53/1024863353.db2.gz AGXVVNSENUXNIK-UHFFFAOYSA-N 0 0 379.460 3.578 20 10 GHCDRN Cc1ccc(-c2ccc(C(=O)NCc3cccc(Br)c3O)cc2)nn1 ZINC001156793254 1033243788 /nfs/dbraw/zinc/24/37/88/1033243788.db2.gz XFFYRDJCDDCLHT-UHFFFAOYSA-N 0 0 398.260 3.850 20 10 GHCDRN C[C@@H](CC(=O)c1ccc(F)cc1)C(=O)NCc1cccc(Br)c1O ZINC001156792064 1033244096 /nfs/dbraw/zinc/24/40/96/1033244096.db2.gz LKTIYWRADCYDAF-NSHDSACASA-N 0 0 394.240 3.819 20 10 GHCDRN COc1ccc2cc(C(=O)NCc3cccc(Br)c3O)cnc2c1 ZINC001156790791 1033244282 /nfs/dbraw/zinc/24/42/82/1033244282.db2.gz GCQIPKANFFKQMN-UHFFFAOYSA-N 0 0 387.233 3.642 20 10 GHCDRN CCc1nc(CNC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)co1 ZINC000838697870 1025306313 /nfs/dbraw/zinc/30/63/13/1025306313.db2.gz RSEKIRCXDCJDGH-UHFFFAOYSA-N 0 0 382.464 3.808 20 10 GHCDRN CO[C@H]([C@@H](C)NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000838701203 1025312175 /nfs/dbraw/zinc/31/21/75/1025312175.db2.gz FMTDNGUZNNUETB-IIBYNOLFSA-N 0 0 385.508 3.871 20 10 GHCDRN Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c(Cl)c1C ZINC000832192605 1025313887 /nfs/dbraw/zinc/31/38/87/1025313887.db2.gz UZIMHLNBAPYMLN-UHFFFAOYSA-N 0 0 385.895 3.812 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CCC2(C1)CCCCC2 ZINC000838747206 1025342717 /nfs/dbraw/zinc/34/27/17/1025342717.db2.gz OTIYHUQVANQZJX-UHFFFAOYSA-N 0 0 393.478 3.667 20 10 GHCDRN CCc1nnc([C@@H](C)NCc2ccc(N3CCCCC3)c(Br)c2)[nH]1 ZINC000838984141 1025501573 /nfs/dbraw/zinc/50/15/73/1025501573.db2.gz DSMGIOLHIJJSDZ-CYBMUJFWSA-N 0 0 392.345 3.971 20 10 GHCDRN COCCOc1ccc(N2CCN(Cc3ccccc3OC(F)F)CC2)cc1 ZINC001138912160 1025571459 /nfs/dbraw/zinc/57/14/59/1025571459.db2.gz DZDCULJJODKVDW-UHFFFAOYSA-N 0 0 392.446 3.635 20 10 GHCDRN CCN(CC)c1ccc(CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])cc1 ZINC001162200243 1025665955 /nfs/dbraw/zinc/66/59/55/1025665955.db2.gz GWVWOTCVSJSWKR-UHFFFAOYSA-N 0 0 395.419 3.931 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N(C)[C@@H](C)c2cccs2)cc1 ZINC000839244824 1025752820 /nfs/dbraw/zinc/75/28/20/1025752820.db2.gz LCTMHXBQPBULSR-INIZCTEOSA-N 0 0 387.549 3.772 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC(c2ccsc2)CC1 ZINC000839273989 1025770233 /nfs/dbraw/zinc/77/02/33/1025770233.db2.gz UYRBAWPCBCNFNC-UHFFFAOYSA-N 0 0 386.517 3.599 20 10 GHCDRN CC(=O)NC[C@H](CC(=O)Nc1c(-c2ccccn2)nc2ccccn21)CC(C)C ZINC000839297728 1025786052 /nfs/dbraw/zinc/78/60/52/1025786052.db2.gz KAQWDLKJMSVNHK-KRWDZBQOSA-N 0 0 393.491 3.523 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CC2(CC(OCc3ccccc3)C2)C1 ZINC001139132373 1025944305 /nfs/dbraw/zinc/94/43/05/1025944305.db2.gz VUVRGSVLLJPBOC-UHFFFAOYSA-N 0 0 391.467 3.988 20 10 GHCDRN COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139133599 1025946596 /nfs/dbraw/zinc/94/65/96/1025946596.db2.gz IVIRDBQCTMEDMQ-INIZCTEOSA-N 0 0 395.455 3.761 20 10 GHCDRN COc1cccc(CC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n1 ZINC001139138981 1025951903 /nfs/dbraw/zinc/95/19/03/1025951903.db2.gz OGPJLBLLHSQEEG-OAHLLOKOSA-N 0 0 387.911 3.839 20 10 GHCDRN COc1ccc(N2CCN(Cc3ccc(-c4ncco4)cc3F)CC2)cc1F ZINC000839503176 1025990093 /nfs/dbraw/zinc/99/00/93/1025990093.db2.gz OPVFNEFOIUWFJE-UHFFFAOYSA-N 0 0 385.414 3.951 20 10 GHCDRN FC(F)(F)Oc1ccc(N2CCN(Cc3ccc4nsnc4c3)CC2)cc1 ZINC001139214458 1026065426 /nfs/dbraw/zinc/06/54/26/1026065426.db2.gz PEHQLEJDGDFPEL-UHFFFAOYSA-N 0 0 394.422 3.912 20 10 GHCDRN CCCOc1ccc(NC(=O)C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)cc1 ZINC000839635452 1026141057 /nfs/dbraw/zinc/14/10/57/1026141057.db2.gz ZSPNCRCZYUFUCI-QGZVFWFLSA-N 0 0 397.519 3.536 20 10 GHCDRN COc1cc2c(c(OC)c1)N(CC(=O)Nc1ccccc1OC(F)F)CCC2 ZINC000839653666 1026176137 /nfs/dbraw/zinc/17/61/37/1026176137.db2.gz BMBFMWIWJRCIRS-UHFFFAOYSA-N 0 0 392.402 3.697 20 10 GHCDRN COC(OC)c1c(CO)ccnc1N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001163486255 1026209978 /nfs/dbraw/zinc/20/99/78/1026209978.db2.gz FUYYNMFHOLZJAD-IBGZPJMESA-N 0 0 386.492 3.923 20 10 GHCDRN COC(=O)c1ccc(N[C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)nc1C(=O)OC ZINC001163486733 1026211444 /nfs/dbraw/zinc/21/14/44/1026211444.db2.gz NEIHAESSNMQPKN-LJQANCHMSA-N 0 0 398.459 3.713 20 10 GHCDRN COCCOC(=O)c1ccnc(N[C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)c1 ZINC001163488537 1026211738 /nfs/dbraw/zinc/21/17/38/1026211738.db2.gz VMPPXAHUGSMZJQ-HXUWFJFHSA-N 0 0 384.476 3.943 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cnc4cc(OC)ccc4c3)C2)cc1 ZINC001461076092 1069376927 /nfs/dbraw/zinc/37/69/27/1069376927.db2.gz HAVWYDMSXSNEAK-INIZCTEOSA-N 0 0 391.471 3.508 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)COc3ccc4c(c3)CCCC4)C2)cc1 ZINC001461078640 1069378598 /nfs/dbraw/zinc/37/85/98/1069378598.db2.gz SQMLOOXCYQRTQC-SFHVURJKSA-N 0 0 394.515 3.596 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cc1csc(-c2ccccn2)n1 ZINC000839915793 1026344058 /nfs/dbraw/zinc/34/40/58/1026344058.db2.gz KSHVHLPCEKXEFV-MRXNPFEDSA-N 0 0 394.544 3.869 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000839916584 1026345049 /nfs/dbraw/zinc/34/50/49/1026345049.db2.gz VTNHQKBJQGUGFZ-FXAWDEMLSA-N 0 0 393.531 3.699 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cccc(NC(=O)N(C)C)c1 ZINC000839919909 1026347608 /nfs/dbraw/zinc/34/76/08/1026347608.db2.gz WWKQVXKIMMCZIK-MRXNPFEDSA-N 0 0 382.508 3.516 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc2c(C)cc(=O)[nH]c2c1 ZINC000839921908 1026348962 /nfs/dbraw/zinc/34/89/62/1026348962.db2.gz OJJVARLPBDXJNF-INIZCTEOSA-N 0 0 377.488 3.984 20 10 GHCDRN CC(C)(C)OC(=O)NC1CC2(C1)CC[NH+](Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139681578 1026535768 /nfs/dbraw/zinc/53/57/68/1026535768.db2.gz UCXMNRLRHGZEIA-UHFFFAOYSA-N 0 0 382.451 3.940 20 10 GHCDRN O=C1OC[C@@H]2[C@H]([N@@H+](Cc3ccccc3)Cc3c(F)ccc(F)c3[O-])CCCN12 ZINC001139685270 1026538696 /nfs/dbraw/zinc/53/86/96/1026538696.db2.gz DAKJFMPLNNCASA-RTBURBONSA-N 0 0 388.414 3.656 20 10 GHCDRN O=C1N(c2ccsc2)CC[C@]12CCC[N@@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001139684988 1026538822 /nfs/dbraw/zinc/53/88/22/1026538822.db2.gz SDEVMQFZTDUMQU-IBGZPJMESA-N 0 0 378.444 3.751 20 10 GHCDRN Cc1cc(C(=O)N(C)CCN2CCOC(C)(C)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC001139732228 1026575579 /nfs/dbraw/zinc/57/55/79/1026575579.db2.gz JBIKYMFOYJLUJK-UHFFFAOYSA-N 0 0 397.563 3.894 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC001461123270 1069402781 /nfs/dbraw/zinc/40/27/81/1069402781.db2.gz ZIOXZAKPOYFZNB-JTQLQIEISA-N 0 0 387.627 3.534 20 10 GHCDRN CC[C@]1(C(=O)NCc2cc(Cl)ccc2O)CCN(C(=O)OC(C)(C)C)C1 ZINC001165508037 1026749272 /nfs/dbraw/zinc/74/92/72/1026749272.db2.gz KRSZDWSVMNPXRB-IBGZPJMESA-N 0 0 382.888 3.699 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+]CCNC(=O)c2ccc(Cl)cc2)c1 ZINC001461158563 1069418504 /nfs/dbraw/zinc/41/85/04/1069418504.db2.gz BFNNKIWSXLTFTH-UHFFFAOYSA-N 0 0 397.700 3.636 20 10 GHCDRN O=C(Nc1ccccc1)N1CCN(Cc2c(O)cccc2Br)CC1 ZINC001140100718 1026877798 /nfs/dbraw/zinc/87/77/98/1026877798.db2.gz AEOAMDGUTKMACE-UHFFFAOYSA-N 0 0 390.281 3.504 20 10 GHCDRN CCn1cc(CN(Cc2c(C)nn(C)c2C)Cc2c(C)ccc(C)c2O)cn1 ZINC001140179011 1026951702 /nfs/dbraw/zinc/95/17/02/1026951702.db2.gz DRLLULGYZUGXKP-UHFFFAOYSA-N 0 0 381.524 3.778 20 10 GHCDRN COc1ccc(N2CCN(Cc3ccc(Br)c(F)c3)CC2)cc1 ZINC001140210048 1026983333 /nfs/dbraw/zinc/98/33/33/1026983333.db2.gz IOQBAMTYXJHVHE-UHFFFAOYSA-N 0 0 379.273 3.919 20 10 GHCDRN COC(=O)c1c(C)cc(C)nc1N1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001166815979 1027092953 /nfs/dbraw/zinc/09/29/53/1027092953.db2.gz NTXIPGMCRUORTJ-UHFFFAOYSA-N 0 0 379.460 3.548 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2nc(Cl)nc3ncsc32)C1 ZINC001166816005 1027093214 /nfs/dbraw/zinc/09/32/14/1027093214.db2.gz PSEIJBSAIGHMPK-UHFFFAOYSA-N 0 0 385.880 3.803 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2cncc(N3CCCCC3)n2)C1 ZINC001166817261 1027093951 /nfs/dbraw/zinc/09/39/51/1027093951.db2.gz BAPYRDUFPXNAFS-UHFFFAOYSA-N 0 0 377.492 3.530 20 10 GHCDRN CCOC(=O)c1cc(N2CCc3c(c4cc(OC)ccc4n3C)C2)ncc1C ZINC001166818129 1027094085 /nfs/dbraw/zinc/09/40/85/1027094085.db2.gz MTAFEIQBHRIWPK-UHFFFAOYSA-N 0 0 379.460 3.630 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2ncnc3cc(Cl)cnc32)C1 ZINC001166817682 1027094133 /nfs/dbraw/zinc/09/41/33/1027094133.db2.gz GDUAVLXNZMHQJX-UHFFFAOYSA-N 0 0 379.851 3.741 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2cc(N3CCC[C@@H](C)C3)ncn2)C1 ZINC001166818917 1027095280 /nfs/dbraw/zinc/09/52/80/1027095280.db2.gz YOCCCQJTZIFUBL-MRXNPFEDSA-N 0 0 391.519 3.776 20 10 GHCDRN COc1ccc(CNC(=O)Nc2c(F)ccc(Br)c2F)c(O)c1 ZINC001209859666 1027250726 /nfs/dbraw/zinc/25/07/26/1027250726.db2.gz RNUFGMMRTIKMIN-UHFFFAOYSA-N 0 0 387.180 3.763 20 10 GHCDRN CC(C)c1cc(=O)oc2cc(OCC(=O)NCc3ccc(N(C)C)cc3)ccc21 ZINC000840140407 1027269687 /nfs/dbraw/zinc/26/96/87/1027269687.db2.gz IBNUAUAEICNWEJ-UHFFFAOYSA-N 0 0 394.471 3.678 20 10 GHCDRN O=S1(=O)CCN(Cc2cc3oc4ccccc4c3cc2O)CCC12CCC2 ZINC000840180552 1027317806 /nfs/dbraw/zinc/31/78/06/1027317806.db2.gz IVYCLLZINUVMIK-UHFFFAOYSA-N 0 0 385.485 3.835 20 10 GHCDRN Cc1ccc(S(=O)(=O)N(c2ccc(N)cc2)c2cc(F)ccc2CO)cc1 ZINC001210185720 1027377787 /nfs/dbraw/zinc/37/77/87/1027377787.db2.gz WCAOGBLDYFXZLB-UHFFFAOYSA-N 0 0 386.448 3.736 20 10 GHCDRN COc1ccc(O)c(CNC(=O)NCC2(c3c(F)cccc3F)CCC2)c1 ZINC000840297075 1027421368 /nfs/dbraw/zinc/42/13/68/1027421368.db2.gz DDBFNSFOEWUBSC-UHFFFAOYSA-N 0 0 376.403 3.600 20 10 GHCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001203575212 1027442983 /nfs/dbraw/zinc/44/29/83/1027442983.db2.gz GNTMHHRPZFCSMR-IYBDPMFKSA-N 0 0 378.303 3.658 20 10 GHCDRN COc1cnc(OC2CC[NH+](Cc3cc(Cl)cc(Cl)c3[O-])CC2)nc1 ZINC001203585372 1027452968 /nfs/dbraw/zinc/45/29/68/1027452968.db2.gz HRAVUTRJBQRDKM-UHFFFAOYSA-N 0 0 384.263 3.541 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1 ZINC000840324914 1027454128 /nfs/dbraw/zinc/45/41/28/1027454128.db2.gz IPZCTOAKNSZLPE-NNMXDRDESA-N 0 0 397.563 3.846 20 10 GHCDRN CCOc1cccc(C[NH+]2CCN(c3ncccc3C(F)(F)F)CC2)c1O ZINC001203602162 1027466492 /nfs/dbraw/zinc/46/64/92/1027466492.db2.gz FHQKPEBHMOQQDC-UHFFFAOYSA-N 0 0 381.398 3.527 20 10 GHCDRN C[C@@H](NC(=O)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2)c1ccc(N(C)C)cc1 ZINC000840355243 1027476696 /nfs/dbraw/zinc/47/66/96/1027476696.db2.gz ZIKJZVCHXWRUOX-MWTRTKDXSA-N 0 0 393.487 3.633 20 10 GHCDRN COc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2CNC(=O)OC(C)(C)C)c(O)c1 ZINC001203635373 1027494284 /nfs/dbraw/zinc/49/42/84/1027494284.db2.gz RLOKCYMYFPAGTB-IBGZPJMESA-N 0 0 398.503 3.852 20 10 GHCDRN Oc1ccc(Cl)cc1CN1CCO[C@@H]2[C@H](COCc3cccnc3)CC[C@@H]21 ZINC001203658803 1027513741 /nfs/dbraw/zinc/51/37/41/1027513741.db2.gz PBHBDZPRVDHKBV-NBHGPNQESA-N 0 0 388.895 3.637 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cc(Cl)ccc2O)CCC1(F)F ZINC001203664690 1027515627 /nfs/dbraw/zinc/51/56/27/1027515627.db2.gz QADYFFJFFHOFNF-CQSZACIVSA-N 0 0 376.831 3.780 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)[C@](C)(OC)C1CC1 ZINC000840417742 1027521761 /nfs/dbraw/zinc/52/17/61/1027521761.db2.gz QXULQNDKLMPUBD-SGTLLEGYSA-N 0 0 399.329 3.890 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC(c2ccccn2)CC1 ZINC000840482503 1027568057 /nfs/dbraw/zinc/56/80/57/1027568057.db2.gz XRCMJULDTVECOU-SFHVURJKSA-N 0 0 380.536 3.976 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000840486350 1027570305 /nfs/dbraw/zinc/57/03/05/1027570305.db2.gz ZNDUAHABLFZRIK-IOMROCGXSA-N 0 0 385.552 3.735 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC(OCC(C)C)CC1 ZINC000840488137 1027573659 /nfs/dbraw/zinc/57/36/59/1027573659.db2.gz KFQXSAIOWDPQBO-SFHVURJKSA-N 0 0 375.557 3.839 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000840490311 1027575051 /nfs/dbraw/zinc/57/50/51/1027575051.db2.gz ZIXBNGCTPOTAAM-GJZGRUSLSA-N 0 0 396.491 3.533 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000840489156 1027575166 /nfs/dbraw/zinc/57/51/66/1027575166.db2.gz RAVDCLCRJDJGQK-MRXNPFEDSA-N 0 0 394.519 3.706 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1c(C)nc(C(C)(C)C)[nH]c1=O ZINC000840558071 1027616388 /nfs/dbraw/zinc/61/63/88/1027616388.db2.gz XEVOFEHDMFOHDB-CQSZACIVSA-N 0 0 384.524 3.524 20 10 GHCDRN COc1ccc(Oc2cc(CNC(=O)NCc3c(O)cccc3F)ccn2)cc1 ZINC001210915147 1027705175 /nfs/dbraw/zinc/70/51/75/1027705175.db2.gz VXEMSAUZVCYZIO-UHFFFAOYSA-N 0 0 397.406 3.727 20 10 GHCDRN CCOC[C@@H]1CN(Cc2ccc(N(CC)CC)cc2)Cc2nnn(CC3CC3)c21 ZINC001203940005 1027733216 /nfs/dbraw/zinc/73/32/16/1027733216.db2.gz HQOVPPKYPVFRAT-FQEVSTJZSA-N 0 0 397.567 3.670 20 10 GHCDRN COc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(F)c(N3CCOCC3)c(F)c1)CCC2 ZINC000840761663 1027801048 /nfs/dbraw/zinc/80/10/48/1027801048.db2.gz ZQKFXUUXKOXACM-NRFANRHFSA-N 0 0 388.458 3.977 20 10 GHCDRN C[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1cnn(-c2ccccc2)c1 ZINC000840761265 1027802485 /nfs/dbraw/zinc/80/24/85/1027802485.db2.gz UYVRDZGHOAGMOA-INIZCTEOSA-N 0 0 398.457 3.838 20 10 GHCDRN Cc1cc(N(C)C)ccc1CN(C)CC(=O)Nc1ccccc1Br ZINC000840909230 1027944632 /nfs/dbraw/zinc/94/46/32/1027944632.db2.gz DGKXHFZQEXUSIZ-UHFFFAOYSA-N 0 0 390.325 3.894 20 10 GHCDRN Nc1ccc(NC(=O)C(=O)NC2(c3ccc(C(F)(F)F)cc3)CCCC2)cc1 ZINC000841134540 1028197347 /nfs/dbraw/zinc/19/73/47/1028197347.db2.gz XXZQHKVLFWMHGV-UHFFFAOYSA-N 0 0 391.393 3.812 20 10 GHCDRN CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NCCc2ccc(N)cc2)c(C)c1 ZINC000841172284 1028245355 /nfs/dbraw/zinc/24/53/55/1028245355.db2.gz BXARXMIHIHNADP-OAHLLOKOSA-N 0 0 385.533 3.765 20 10 GHCDRN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841297151 1028386660 /nfs/dbraw/zinc/38/66/60/1028386660.db2.gz AWIOQEGQVGDCQD-IERDGZPVSA-N 0 0 381.524 3.737 20 10 GHCDRN CCC[C@H](NC(=O)Nc1ccc(N)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000841301099 1028394393 /nfs/dbraw/zinc/39/43/93/1028394393.db2.gz AEMOWKWANOAWOA-FQEVSTJZSA-N 0 0 395.507 3.798 20 10 GHCDRN COCCCN(C(=O)/C=C\c1scnc1C)c1ccc(Br)cn1 ZINC000841348158 1028464814 /nfs/dbraw/zinc/46/48/14/1028464814.db2.gz BGEGLRFRCXHLBE-ALCCZGGFSA-N 0 0 396.310 3.692 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cccnc2)C1 ZINC000841354657 1028484448 /nfs/dbraw/zinc/48/44/48/1028484448.db2.gz KKLBSMAKHDOMLG-DOJUMQAQSA-N 0 0 379.460 3.577 20 10 GHCDRN O=C(NCCN1CCC2(C1)OCCO2)Nc1ccc(N=Nc2ccccc2)cc1 ZINC001214145756 1028567868 /nfs/dbraw/zinc/56/78/68/1028567868.db2.gz QWHMGMMDTJCCOH-UHFFFAOYSA-N 0 0 395.463 3.672 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@@H]2COc2cccnc2C)c(C)n1-c1ccccn1 ZINC000841472869 1028677755 /nfs/dbraw/zinc/67/77/55/1028677755.db2.gz NHCJNNZWGBLNOW-LJQANCHMSA-N 0 0 390.487 3.876 20 10 GHCDRN C[C@H](NC(=O)N[C@@H]1CCCc2cc(N)ccc21)c1ccc(N2CCOCC2)cc1 ZINC000841741338 1028904162 /nfs/dbraw/zinc/90/41/62/1028904162.db2.gz NOTGXZIKKPCMDY-KSFYIVLOSA-N 0 0 394.519 3.543 20 10 GHCDRN C[C@@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)c1ccc(Cl)cc1[O-] ZINC000841744610 1028905901 /nfs/dbraw/zinc/90/59/01/1028905901.db2.gz JFUUJRIEAUZTPW-CQSZACIVSA-N 0 0 388.895 3.596 20 10 GHCDRN CC(C)(CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CCC(=O)[O-] ZINC000841795413 1028942242 /nfs/dbraw/zinc/94/22/42/1028942242.db2.gz QREQELGBIVAXDO-UHFFFAOYSA-N 0 0 377.485 3.956 20 10 GHCDRN CCOCc1cc(C[NH2+][C@@]2(C(=O)[O-])CCCc3cc(OC)ccc32)ccc1OC ZINC000841806496 1028953376 /nfs/dbraw/zinc/95/33/76/1028953376.db2.gz WPFORLXSHJULDG-QHCPKHFHSA-N 0 0 399.487 3.646 20 10 GHCDRN CN(Cc1ccco1)Cc1ccccc1CNC(=O)NCCc1ccc(N)cc1 ZINC000841834705 1028972622 /nfs/dbraw/zinc/97/26/22/1028972622.db2.gz RZXADDZCLGCVDN-UHFFFAOYSA-N 0 0 392.503 3.536 20 10 GHCDRN C[C@H](Cc1ccccc1Br)NC(=O)NCCc1ccc(N)cc1 ZINC000841856259 1028978467 /nfs/dbraw/zinc/97/84/67/1028978467.db2.gz HKHMXZHTPXPIDF-CYBMUJFWSA-N 0 0 376.298 3.504 20 10 GHCDRN Cc1ccncc1/C=C/C(=O)N1C[C@H](NC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001142501554 1029002992 /nfs/dbraw/zinc/00/29/92/1029002992.db2.gz DWTXADYRCIKAID-JBVUFVISSA-N 0 0 393.487 3.886 20 10 GHCDRN Oc1cc(F)c(F)cc1CN1CCN(c2cccc(OC(F)(F)F)c2)CC1 ZINC001142530498 1029034091 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CCN(CC)c1ccc(CN(C)C(=O)c2ccccc2N2CCCC2=O)cc1 ZINC001318010927 1054350054 /nfs/dbraw/zinc/35/00/54/1054350054.db2.gz DBXBXKRQLTTYMW-UHFFFAOYSA-N 0 0 379.504 3.932 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(-n4cncn4)cc3)ccc21 ZINC001318266764 1054534153 /nfs/dbraw/zinc/53/41/53/1054534153.db2.gz QNXHNDFWCUOOJJ-UHFFFAOYSA-N 0 0 389.459 3.738 20 10 GHCDRN Cc1cc(C(=O)CN2C(=O)CN(C3CCCC3)C2=O)c(C)n1-c1cccc(C)c1 ZINC001318455434 1054653044 /nfs/dbraw/zinc/65/30/44/1054653044.db2.gz FRLCGUSMHRZHDT-UHFFFAOYSA-N 0 0 393.487 3.792 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc(N2CCOC2=O)ccc1F ZINC001318696842 1054802442 /nfs/dbraw/zinc/80/24/42/1054802442.db2.gz JOMWPSCFALQDFI-UHFFFAOYSA-N 0 0 387.411 3.932 20 10 GHCDRN O=C(CCNc1ccccc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001318750086 1054842527 /nfs/dbraw/zinc/84/25/27/1054842527.db2.gz UKGBRNHAGRLXAP-QGZVFWFLSA-N 0 0 389.446 3.875 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)cc1 ZINC001318807412 1054884112 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CC(=O)Oc1ccc(C2=N/C(=C/c3ccc(N4CCCC4)cc3)C(=O)O2)cc1 ZINC001338378431 1058537093 /nfs/dbraw/zinc/53/70/93/1058537093.db2.gz MSWCPJQDGGYXIT-XSFVSMFZSA-N 0 0 376.412 3.557 20 10 GHCDRN Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)n1CC1CC1 ZINC001338561417 1058641740 /nfs/dbraw/zinc/64/17/40/1058641740.db2.gz KCZPXKSJUHBCMO-QGZVFWFLSA-N 0 0 381.520 3.843 20 10 GHCDRN O=C(NCc1cccc(Cl)c1O)C(=O)Nc1ccccc1OC1CCCC1 ZINC001338812860 1058805978 /nfs/dbraw/zinc/80/59/78/1058805978.db2.gz KLDHWNSELBNJSB-UHFFFAOYSA-N 0 0 388.851 3.622 20 10 GHCDRN CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2cc3cc(O)c(O)cc3s2)c1 ZINC001441588956 1058820991 /nfs/dbraw/zinc/82/09/91/1058820991.db2.gz HIJPDQLYLZZCML-LBPRGKRZSA-N 0 0 398.484 3.771 20 10 GHCDRN CN(c1ccc(CNC(=O)c2cccc3c2NC(=O)CO3)cc1)C1CCCCC1 ZINC001442453050 1058962621 /nfs/dbraw/zinc/96/26/21/1058962621.db2.gz UZORJCCAHVZUMJ-UHFFFAOYSA-N 0 0 393.487 3.716 20 10 GHCDRN CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001442476039 1058966720 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GHCDRN CCOc1ccc(N2CCN(C(=O)CCOc3cccc(C)c3C)CC2)cc1 ZINC001446419730 1059773554 /nfs/dbraw/zinc/77/35/54/1059773554.db2.gz ZZPLUOJQJZDWTD-UHFFFAOYSA-N 0 0 382.504 3.820 20 10 GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001446815261 1059867529 /nfs/dbraw/zinc/86/75/29/1059867529.db2.gz KFCRAFMILRMKQN-LAUBAEHRSA-N 0 0 387.863 3.525 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCC(C)(C)[C@@H](O)C(C)C)ccc1C ZINC001447252245 1059940802 /nfs/dbraw/zinc/94/08/02/1059940802.db2.gz BUYQJZDGQQJHEF-NRFANRHFSA-N 0 0 384.520 3.988 20 10 GHCDRN COC(=O)[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1ccc(C)c(C)c1 ZINC001448166125 1060123911 /nfs/dbraw/zinc/12/39/11/1060123911.db2.gz KGUUQUOQRNUKTE-SFHVURJKSA-N 0 0 385.441 3.573 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@@H]([C@H](CO)C2CC2)C2CC2)ccc1C ZINC001450030769 1060507054 /nfs/dbraw/zinc/50/70/54/1060507054.db2.gz JZNSTDMJVHRHQU-FYYLOGMGSA-N 0 0 394.515 3.742 20 10 GHCDRN CCn1c(NC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)nc2cccnc21 ZINC001450069406 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20 10 GHCDRN Cc1cc(C(=O)N2CCN(c3ncccc3F)CC2)c(C)n1-c1ccc(F)cc1 ZINC001466652761 1066236053 /nfs/dbraw/zinc/23/60/53/1066236053.db2.gz RNCPQTVCKVTINZ-UHFFFAOYSA-N 0 0 396.441 3.730 20 10 GHCDRN CCOC[C@@H]1CCCCN1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001466894073 1066374244 /nfs/dbraw/zinc/37/42/44/1066374244.db2.gz MKRDCGLSCXVPBK-INIZCTEOSA-N 0 0 379.464 3.819 20 10 GHCDRN COC(=O)c1ccc(NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)nc1 ZINC001467107293 1067073149 /nfs/dbraw/zinc/07/31/49/1067073149.db2.gz HVMNXMBGVJVWLP-UHFFFAOYSA-N 0 0 396.491 3.959 20 10 GHCDRN NC(=O)c1cccc(Oc2ccc(NC(=O)N3Cc4cccc(O)c4C3)cc2)c1 ZINC001467298518 1067207605 /nfs/dbraw/zinc/20/76/05/1067207605.db2.gz YNYZRKKRLDJIEY-UHFFFAOYSA-N 0 0 389.411 3.831 20 10 GHCDRN CCC(=O)N1CCc2ccc(NC(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc21 ZINC001467363710 1067251740 /nfs/dbraw/zinc/25/17/40/1067251740.db2.gz DCTNVFSEZRYIHB-OAHLLOKOSA-N 0 0 380.492 3.934 20 10 GHCDRN CCOc1cccc([C@H](C)NC(=O)N(C)CCN(C)c2ccc(OC)cc2)c1 ZINC001477655723 1078511709 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COc1ccc(N(C)CCN(C)C(=O)NCCCOC2CCCCC2)cc1 ZINC001467990708 1067556708 /nfs/dbraw/zinc/55/67/08/1067556708.db2.gz QZYURDTZIKLWSJ-UHFFFAOYSA-N 0 0 377.529 3.512 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@H](C4CCC4)C3)cc2F)C[C@H](C)O1 ZINC001468095549 1067594417 /nfs/dbraw/zinc/59/44/17/1067594417.db2.gz BNPCUXMJRJMDGR-FCEWJHQRSA-N 0 0 389.515 3.771 20 10 GHCDRN O=C(NCC[C@@H]1C[C@H]1C1CC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC001477738039 1078548271 /nfs/dbraw/zinc/54/82/71/1078548271.db2.gz WVINXDZNLVMJBA-BEFAXECRSA-N 0 0 393.478 3.992 20 10 GHCDRN CC[C@@H](COCC(F)(F)F)NC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC001468352655 1067699602 /nfs/dbraw/zinc/69/96/02/1067699602.db2.gz VPEUVYURQRXEKV-INIZCTEOSA-N 0 0 396.409 3.994 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCc2ccc3c(c2)C[C@H](C)O3)cc1F ZINC001477847753 1078592225 /nfs/dbraw/zinc/59/22/25/1078592225.db2.gz MKUOTTVVZXXIBZ-HNNXBMFYSA-N 0 0 385.483 3.995 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCN(c2cccc(F)c2)C[C@H]1C ZINC001468744885 1067858138 /nfs/dbraw/zinc/85/81/38/1067858138.db2.gz XMYJXVIMDHIRBG-QGZVFWFLSA-N 0 0 384.499 3.620 20 10 GHCDRN O=C(NCc1ccc2cccnc2c1O)C1=C(c2ccccc2)SCCO1 ZINC001469248964 1068060074 /nfs/dbraw/zinc/06/00/74/1068060074.db2.gz KDBXHYKITVQLQV-UHFFFAOYSA-N 0 0 378.453 3.689 20 10 GHCDRN COc1ccc(O)c(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)c1 ZINC000765037161 1068108440 /nfs/dbraw/zinc/10/84/40/1068108440.db2.gz YLZLSPUENVAXFD-UHFFFAOYSA-N 0 0 381.388 3.895 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C2CCOCC2)C2(CO)CCC2)cc1 ZINC001469504261 1068196141 /nfs/dbraw/zinc/19/61/41/1068196141.db2.gz CLVFVPVQSLFPGD-QFIPXVFZSA-N 0 0 396.531 3.782 20 10 GHCDRN CCO[C@H]1C[C@@H](NC(=O)N(C)CCN(C)c2ccc(OC)cc2)C1(CC)CC ZINC001478041358 1078687175 /nfs/dbraw/zinc/68/71/75/1078687175.db2.gz AXKBFSZZDMIMBV-UXHICEINSA-N 0 0 391.556 3.757 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001360075598 1068344745 /nfs/dbraw/zinc/34/47/45/1068344745.db2.gz LDJVBIOPGILOKJ-HDICACEKSA-N 0 0 381.520 3.605 20 10 GHCDRN CC(C)[C@@](C)(CO)NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC001469961391 1068490906 /nfs/dbraw/zinc/49/09/06/1068490906.db2.gz UTLBKKHJRDYOFH-FOIQADDNSA-N 0 0 381.948 3.783 20 10 GHCDRN C[C@H]1CN(C)c2ccccc2CN1C(=O)NCCCSc1nccs1 ZINC001478182203 1078756039 /nfs/dbraw/zinc/75/60/39/1078756039.db2.gz SQJYRELMWOIRAO-AWEZNQCLSA-N 0 0 376.551 3.675 20 10 GHCDRN O=C(NCCCSc1nccs1)NCC[C@H]1OCCc2ccccc21 ZINC001478181826 1078755964 /nfs/dbraw/zinc/75/59/64/1078755964.db2.gz DZJHXEAVNILPCV-MRXNPFEDSA-N 0 0 377.535 3.629 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC001460429792 1068961538 /nfs/dbraw/zinc/96/15/38/1068961538.db2.gz FCDIYAHGACFUQX-SFHVURJKSA-N 0 0 391.446 3.769 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)NCc2cccc(Cl)c2O)C1 ZINC001478467649 1078879882 /nfs/dbraw/zinc/87/98/82/1078879882.db2.gz QAWCCQSEAWQSIL-KBPBESRZSA-N 0 0 397.903 3.681 20 10 GHCDRN C[C@@H](NC(=O)NCCOc1ccc(Cl)c(F)c1)c1ccc(N(C)C)cc1 ZINC001478471261 1078881679 /nfs/dbraw/zinc/88/16/79/1078881679.db2.gz RWRZPMFPQWWALK-CYBMUJFWSA-N 0 0 379.863 3.984 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)N[C@H]2CCCc3c(F)cccc32)cc1 ZINC001478737646 1078971188 /nfs/dbraw/zinc/97/11/88/1078971188.db2.gz CTLLUMBUVMOALE-NRFANRHFSA-N 0 0 385.483 3.990 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)NCC[C@H]2CCc3ccccc32)cc1 ZINC001478737755 1078971707 /nfs/dbraw/zinc/97/17/07/1078971707.db2.gz BKPCQWISOHGEKD-LJQANCHMSA-N 0 0 381.520 3.893 20 10 GHCDRN Cc1cc(CNC(=O)c2c(C)oc3nc[nH]c(=O)c32)c(C)n1-c1ccccc1 ZINC001471016631 1072885791 /nfs/dbraw/zinc/88/57/91/1072885791.db2.gz CSAFBSNWBLYLOA-UHFFFAOYSA-N 0 0 376.416 3.574 20 10 GHCDRN Cc1cc(CNC(=O)N[C@H]2CCCC3(C2)OCCO3)c(C)n1-c1cccc(C)c1 ZINC001471036277 1072895254 /nfs/dbraw/zinc/89/52/54/1072895254.db2.gz XHJITMGVCKOFBG-FQEVSTJZSA-N 0 0 397.519 3.887 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(Cc3ccc(O)cc3)CC2)cc1 ZINC001471141774 1072939255 /nfs/dbraw/zinc/93/92/55/1072939255.db2.gz WPIYOSRNOIPCLE-UHFFFAOYSA-N 0 0 389.499 3.758 20 10 GHCDRN Cc1ccc([C@H](O)[C@H](C)NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)cc1 ZINC001478841416 1079000914 /nfs/dbraw/zinc/00/09/14/1079000914.db2.gz VYJPGPAZSYRMNM-KGVIQGDOSA-N 0 0 383.536 3.722 20 10 GHCDRN C[C@H](NC(=O)c1nn(-c2ccc(F)cc2F)c2c1CCC2)c1ccccc1O ZINC001471199497 1072963694 /nfs/dbraw/zinc/96/36/94/1072963694.db2.gz XOZRMOYJECAMOO-LBPRGKRZSA-N 0 0 383.398 3.836 20 10 GHCDRN C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)NCc1cccc(O)c1O ZINC001471642398 1073167095 /nfs/dbraw/zinc/16/70/95/1073167095.db2.gz RSPPDOYVTZGBGG-INIZCTEOSA-N 0 0 377.440 3.772 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)NCc3ccc4c(c3)ncn4C)c2C)cc1 ZINC001471903976 1073253723 /nfs/dbraw/zinc/25/37/23/1073253723.db2.gz XQMABOBYLXZEEU-UHFFFAOYSA-N 0 0 388.471 3.919 20 10 GHCDRN Cc1nc(SC(F)F)sc1CC(=O)NCc1cccc(Cl)c1O ZINC001472316924 1073417865 /nfs/dbraw/zinc/41/78/65/1073417865.db2.gz NFDRNRSXTOBMER-UHFFFAOYSA-N 0 0 378.853 3.984 20 10 GHCDRN C[C@H](CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001472818923 1073679794 /nfs/dbraw/zinc/67/97/94/1073679794.db2.gz GBBKLHURDGYIIW-ZACQAIPSSA-N 0 0 397.475 3.735 20 10 GHCDRN NC(=O)C1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 ZINC001472879399 1073709123 /nfs/dbraw/zinc/70/91/23/1073709123.db2.gz WELAXXZFSHWGTC-UHFFFAOYSA-N 0 0 388.855 3.562 20 10 GHCDRN C[C@@H]1CCCN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 ZINC001473133160 1073797163 /nfs/dbraw/zinc/79/71/63/1073797163.db2.gz RGAZRESOKUYRJM-OAHLLOKOSA-N 0 0 376.456 3.523 20 10 GHCDRN COc1cc(N(C)CCc2cccc3c2OC(F)(F)O3)cc(OC)c1OC ZINC001473166012 1073825429 /nfs/dbraw/zinc/82/54/29/1073825429.db2.gz KTVHNEMIFXHNEU-UHFFFAOYSA-N 0 0 381.375 3.713 20 10 GHCDRN COc1cccc(-c2cc(NC/C=C\c3ccc(N(C)C)cc3)n(CCO)n2)c1 ZINC001473977246 1074223958 /nfs/dbraw/zinc/22/39/58/1074223958.db2.gz YBOXQLJNQDUVSH-WAYWQWQTSA-N 0 0 392.503 3.742 20 10 GHCDRN O=C(NC[C@@H]1C[C@H]1Cc1ccccc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001479571444 1079232049 /nfs/dbraw/zinc/23/20/49/1079232049.db2.gz LWDZOBPFRXGKQR-BHIFYINESA-N 0 0 394.515 3.962 20 10 GHCDRN C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC001474316338 1074339394 /nfs/dbraw/zinc/33/93/94/1074339394.db2.gz OWEZPHQDQGJCGA-SNVBAGLBSA-N 0 0 391.281 3.639 20 10 GHCDRN COc1cc(C)c(CN2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)c(O)c1 ZINC001474502160 1074434688 /nfs/dbraw/zinc/43/46/88/1074434688.db2.gz UTRNYMPLTWCKNM-AWEZNQCLSA-N 0 0 388.895 3.945 20 10 GHCDRN CCCC[C@](C)(CO)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC001474598971 1074477204 /nfs/dbraw/zinc/47/72/04/1074477204.db2.gz KXEMTTJPDBTQQD-CQSZACIVSA-N 0 0 395.135 3.948 20 10 GHCDRN COC(=O)c1c(CNCc2nc3c(s2)CCCC3)c2cc(F)ccc2n1C ZINC001474699638 1074523421 /nfs/dbraw/zinc/52/34/21/1074523421.db2.gz JNYRFKWGUFPYNX-UHFFFAOYSA-N 0 0 387.480 3.729 20 10 GHCDRN Cc1cc(S(=O)(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)ccc1Cl ZINC001475402495 1074862135 /nfs/dbraw/zinc/86/21/35/1074862135.db2.gz AJEFKKDESXBJKW-OAHLLOKOSA-N 0 0 380.941 3.932 20 10 GHCDRN Cc1cc(CNS(=O)(=O)CC2Cc3ccccc3C2)c(C)n1-c1ccccc1 ZINC001475567212 1074916408 /nfs/dbraw/zinc/91/64/08/1074916408.db2.gz UNGZQEXIWGTTRE-UHFFFAOYSA-N 0 0 394.540 3.929 20 10 GHCDRN C[C@H](NS(=O)(=O)c1cc(Cl)ccc1OCC1CC1)c1ccccc1O ZINC001475586069 1074921245 /nfs/dbraw/zinc/92/12/45/1074921245.db2.gz URGSJWBDPWSFAI-LBPRGKRZSA-N 0 0 381.881 3.874 20 10 GHCDRN Cc1ccc(S(=O)(=O)NCc2cccc(Cl)c2O)cc1C(F)(F)F ZINC001475774114 1075018917 /nfs/dbraw/zinc/01/89/17/1075018917.db2.gz QSTCWTWDYWKJGN-UHFFFAOYSA-N 0 0 379.787 3.851 20 10 GHCDRN CCCOC(=O)c1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC001475964103 1075058915 /nfs/dbraw/zinc/05/89/15/1075058915.db2.gz OEXNGGKEFFFEMR-UHFFFAOYSA-N 0 0 383.448 3.750 20 10 GHCDRN CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1CCCn1ccnc1C ZINC001495138653 1079385721 /nfs/dbraw/zinc/38/57/21/1079385721.db2.gz WLOCPILJAAQWMY-INIZCTEOSA-N 0 0 382.512 3.729 20 10 GHCDRN Cc1cc(C(=O)N[C@H](C)C2CCCC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737233413 598868936 /nfs/dbraw/zinc/86/89/36/598868936.db2.gz JFBZKLYONBJJGY-CQSZACIVSA-N 0 0 378.480 3.583 20 10 GHCDRN Cc1ccc(C=C2SC(=S)N(c3ccccc3-c3nn[nH]n3)C2=O)cc1F ZINC000737329833 598583327 /nfs/dbraw/zinc/58/33/27/598583327.db2.gz OCJLHBUFGNAQKT-DHDCSXOGSA-N 0 0 397.460 3.720 20 10 GHCDRN COc1ccccc1NC(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000737151586 598608897 /nfs/dbraw/zinc/60/88/97/598608897.db2.gz HIUJWZLHHNZYOR-UHFFFAOYSA-N 0 0 388.431 3.535 20 10 GHCDRN Cc1cc(C(=O)Nc2cc(F)cc(F)c2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737236112 598610946 /nfs/dbraw/zinc/61/09/46/598610946.db2.gz BBEWUTZDJBRMHS-UHFFFAOYSA-N 0 0 394.385 3.805 20 10 GHCDRN O=C1C(=Cc2ccc(-c3nn[nH]n3)cc2F)SC(=S)N1C1CCCCC1 ZINC000823504813 607462933 /nfs/dbraw/zinc/46/29/33/607462933.db2.gz UYNWSZGJBFIOEP-NTEUORMPSA-N 0 0 389.481 3.540 20 10 GHCDRN O=C([O-])[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1 ZINC000833167206 600758434 /nfs/dbraw/zinc/75/84/34/600758434.db2.gz KOPAHTJYBCAHTC-MAUKXSAKSA-N 0 0 376.403 3.672 20 10 GHCDRN C[C@@H]1CCCC[C@H]1N1C(=O)C(=Cc2cc(-c3nn[nH]n3)cs2)SC1=S ZINC000820703575 606335542 /nfs/dbraw/zinc/33/55/42/606335542.db2.gz HXZVZEUBMDEUGA-SEXWMPPMSA-N 0 0 391.547 3.708 20 10 GHCDRN Cc1ccc(N2C(=O)C(=Cc3cc(-c4nn[nH]n4)cs3)SC2=S)c(C)c1 ZINC000822241251 606336518 /nfs/dbraw/zinc/33/65/18/606336518.db2.gz PHFOHPNTAYKUAR-VGOFMYFVSA-N 0 0 399.526 3.951 20 10 GHCDRN Cc1c(Cl)cnc(N2CC=C(c3ccc(Cl)nc3)CC2)c1-c1nn[nH]n1 ZINC000826236957 609584075 /nfs/dbraw/zinc/58/40/75/609584075.db2.gz JCHAXZJZAFLHLA-UHFFFAOYSA-N 0 0 388.262 3.566 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(Oc2cccnc2)cc1 ZINC000173208322 837583998 /nfs/dbraw/zinc/58/39/98/837583998.db2.gz MNVDQYFSZLCGIL-UHFFFAOYSA-N 0 0 375.428 3.979 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(Br)cc1F ZINC000173198323 837596528 /nfs/dbraw/zinc/59/65/28/837596528.db2.gz AFTWRWGGCSNPLA-UHFFFAOYSA-N 0 0 379.229 3.693 20 10 GHCDRN Cc1cc(-n2c(C)cc(/C=C3/NC(=S)N(Cc4ccccc4)C3=O)c2C)no1 ZINC000255079546 837711435 /nfs/dbraw/zinc/71/14/35/837711435.db2.gz IXCHCPBGHSCESU-WOJGMQOQSA-N 0 0 392.484 3.648 20 10 GHCDRN COc1cccc(CNC(=O)C2(c3ccc(Br)cc3)CCC2)c1O ZINC000175258523 834351838 /nfs/dbraw/zinc/35/18/38/834351838.db2.gz HDQKYQXQKWFNDH-UHFFFAOYSA-N 0 0 390.277 3.901 20 10 GHCDRN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000136374884 834519436 /nfs/dbraw/zinc/51/94/36/834519436.db2.gz KGJCEKMSCXLYBO-VGOFRKELSA-N 0 0 377.488 3.596 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1 ZINC000161809509 834789386 /nfs/dbraw/zinc/78/93/86/834789386.db2.gz ACTCWZJOZHPHSG-JOCHJYFZSA-N 0 0 393.531 3.601 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Cc3cccc(OC(C)C)c3)CC2)cc1 ZINC000068796174 834882028 /nfs/dbraw/zinc/88/20/28/834882028.db2.gz LWNALEYKZLDHOS-UHFFFAOYSA-N 0 0 382.504 3.764 20 10 GHCDRN CC(C)(CO)[C@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)c1ccccc1 ZINC000126875695 835175017 /nfs/dbraw/zinc/17/50/17/835175017.db2.gz JYBLKIQMQJUTPD-OAQYLSRUSA-N 0 0 396.531 3.873 20 10 GHCDRN CC[C@H](C)Oc1cccc(NC(=O)C(=O)NCc2ccc(N(CC)CC)cc2)c1 ZINC000144923889 835247593 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CN(C)c1ccc([C@@H](O)c2nc(-c3cc(F)ccc3Br)no2)cc1 ZINC001211701095 842663040 /nfs/dbraw/zinc/66/30/40/842663040.db2.gz JRQYZJXIGHQNDV-OAHLLOKOSA-N 0 0 392.228 3.786 20 10 GHCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)c1[O-] ZINC000107713532 842926164 /nfs/dbraw/zinc/92/61/64/842926164.db2.gz JKDRXRPXAFIGHN-CQSZACIVSA-N 0 0 390.745 3.796 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CC(C)(C)OCC2(C)C)CCCC1 ZINC001126229300 843187391 /nfs/dbraw/zinc/18/73/91/843187391.db2.gz MKIZWMJMYXMRQJ-UHFFFAOYSA-N 0 0 384.520 3.945 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cc2)CC1 ZINC000731014703 861408156 /nfs/dbraw/zinc/40/81/56/861408156.db2.gz GERGFSVGEPQAGU-HXUWFJFHSA-N 0 0 391.515 3.592 20 10 GHCDRN CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NCc1ccc(O)c(O)c1 ZINC000279860446 843437213 /nfs/dbraw/zinc/43/72/13/843437213.db2.gz SILTVRRPYJIQFF-UHFFFAOYSA-N 0 0 386.448 3.694 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)NCc3cccc4c3OCO4)cc2)CC1 ZINC000731049551 861417881 /nfs/dbraw/zinc/41/78/81/861417881.db2.gz BKFGUGZENATTRK-UHFFFAOYSA-N 0 0 381.476 3.651 20 10 GHCDRN COc1ccc(S(=O)(=O)NCc2ccc(N3CCC(C)CC3)cc2)c(C)c1 ZINC000731038537 861424687 /nfs/dbraw/zinc/42/46/87/861424687.db2.gz JSIJMVNVVRUBOL-UHFFFAOYSA-N 0 0 388.533 3.718 20 10 GHCDRN Cn1cccc1C(=O)CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 ZINC000731035992 861422989 /nfs/dbraw/zinc/42/29/89/861422989.db2.gz CRIBUEBRZGDGNJ-UHFFFAOYSA-N 0 0 383.492 3.685 20 10 GHCDRN C[C@H](C(=O)NC(C)(C)C)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 ZINC000731036688 861423393 /nfs/dbraw/zinc/42/33/93/861423393.db2.gz MXNDGHSUPZRYRZ-OAHLLOKOSA-N 0 0 389.540 3.767 20 10 GHCDRN CC[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000796673018 843666157 /nfs/dbraw/zinc/66/61/57/843666157.db2.gz PURRPKUZGOYNEV-PMACEKPBSA-N 0 0 376.447 3.785 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)Nc3ccc(-n4nccn4)cc3)cc2)CC1 ZINC000731105256 861469104 /nfs/dbraw/zinc/46/91/04/861469104.db2.gz FBSGXYSDLHLERK-UHFFFAOYSA-N 0 0 390.491 3.825 20 10 GHCDRN COC(=O)Cc1ccc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000731108059 861470955 /nfs/dbraw/zinc/47/09/55/861470955.db2.gz NDRGTIPZCRLOLI-UHFFFAOYSA-N 0 0 395.503 3.960 20 10 GHCDRN C[C@H]1CC[C@H](NC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000731118209 861477816 /nfs/dbraw/zinc/47/78/16/861477816.db2.gz YXDRNHDOOGQDKK-AUENWKNYSA-N 0 0 377.504 3.817 20 10 GHCDRN Nc1ccc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1 ZINC000237965968 843991549 /nfs/dbraw/zinc/99/15/49/843991549.db2.gz NOAJLFHUSWQMGV-UHFFFAOYSA-N 0 0 378.881 3.647 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCNC(=O)c2ccc3ccccc3c2)c1 ZINC000728978078 844651499 /nfs/dbraw/zinc/65/14/99/844651499.db2.gz LXVXFKLROBRWPM-OAHLLOKOSA-N 0 0 392.455 3.551 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)c1 ZINC000728983344 844666924 /nfs/dbraw/zinc/66/69/24/844666924.db2.gz YJBKQIVTJTVEFR-CYBMUJFWSA-N 0 0 397.450 3.762 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(C(=O)NC(C)C)cc2C)c1 ZINC000729034198 844692114 /nfs/dbraw/zinc/69/21/14/844692114.db2.gz CLLJGGMXIGDSFC-CQSZACIVSA-N 0 0 385.464 3.730 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CCO[C@H](c3ccccc3Cl)C2)cc1F ZINC000729050797 844700557 /nfs/dbraw/zinc/70/05/57/844700557.db2.gz KTGFGQDJVQXBHT-IBGZPJMESA-N 0 0 391.874 3.828 20 10 GHCDRN CCCN(CC)C(=O)c1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1 ZINC000729182100 844769143 /nfs/dbraw/zinc/76/91/43/844769143.db2.gz KBSWLZFNXHQAIE-UHFFFAOYSA-N 0 0 395.503 3.648 20 10 GHCDRN CCc1c(C(=O)N[C@@H](C)c2cc(OC)ccc2O)cnn1-c1ccc(F)cc1 ZINC000729277932 844823910 /nfs/dbraw/zinc/82/39/10/844823910.db2.gz JTJYLIRLVLGUQD-ZDUSSCGKSA-N 0 0 383.423 3.779 20 10 GHCDRN Cc1ccn(-c2ccccc2CNC(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000178685663 844833424 /nfs/dbraw/zinc/83/34/24/844833424.db2.gz YDGJOTJCWZNFAQ-UHFFFAOYSA-N 0 0 389.503 3.780 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](Cc2nc(C)no2)c2ccccc2)c1 ZINC000277154123 844874912 /nfs/dbraw/zinc/87/49/12/844874912.db2.gz QLAAZBOAEAGKJT-ACJLOTCBSA-N 0 0 381.432 3.505 20 10 GHCDRN Cc1cc(C(=O)N2CCCC[C@H]2CNC(N)=O)c(C)n1-c1cccc(C(C)C)c1 ZINC000729362963 844885299 /nfs/dbraw/zinc/88/52/99/844885299.db2.gz HTVXMFUVWAIDCQ-FQEVSTJZSA-N 0 0 396.535 3.881 20 10 GHCDRN CC(C)(C)c1nc(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cs1 ZINC000097576253 845125731 /nfs/dbraw/zinc/12/57/31/845125731.db2.gz PQHQMPGRJHQETB-QGZVFWFLSA-N 0 0 388.533 3.897 20 10 GHCDRN Cc1nc(CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c(C)s1 ZINC000156614071 845292064 /nfs/dbraw/zinc/29/20/64/845292064.db2.gz KALNPFAPRIVKSB-LJQANCHMSA-N 0 0 387.549 3.576 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000472011391 845364044 /nfs/dbraw/zinc/36/40/44/845364044.db2.gz UGPQVKMEUYSTOE-UHFFFAOYSA-N 0 0 391.519 3.658 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCN(c3ccccc3)CC2)cc1F ZINC000731364048 861574781 /nfs/dbraw/zinc/57/47/81/861574781.db2.gz JPKXXIWUAQOJQZ-UHFFFAOYSA-N 0 0 384.499 3.704 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2cc(OC)ccc2O)cc1F ZINC000731364929 861575595 /nfs/dbraw/zinc/57/55/95/861575595.db2.gz UEVXPYOLRRQIGG-CQSZACIVSA-N 0 0 389.471 3.947 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCc3ccc(OC)cc3C2)cc1F ZINC000731364987 861576119 /nfs/dbraw/zinc/57/61/19/861576119.db2.gz WWCFGNHZQGXOEX-UHFFFAOYSA-N 0 0 385.483 3.948 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(C)(C)NC(=O)OC(C)(C)C)cc1F ZINC000731346092 861580254 /nfs/dbraw/zinc/58/02/54/861580254.db2.gz QOPUODSOZKVPQA-UHFFFAOYSA-N 0 0 381.492 3.591 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(CC(F)(F)F)C2)cc1F ZINC000731346960 861581403 /nfs/dbraw/zinc/58/14/03/861581403.db2.gz DPGHMQOCBZTYJK-HNNXBMFYSA-N 0 0 389.437 3.562 20 10 GHCDRN O=C(CSc1ncc(-c2ccccc2)n1CC(F)(F)F)NCC(F)(F)F ZINC000051971444 845595565 /nfs/dbraw/zinc/59/55/65/845595565.db2.gz YVXWEFKGKGCEMX-UHFFFAOYSA-N 0 0 397.344 3.883 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NC[C@@]2(O)CCCc3ccccc32)cc1 ZINC000731359066 861587365 /nfs/dbraw/zinc/58/73/65/861587365.db2.gz DMTOBHHNKZXXKX-QHCPKHFHSA-N 0 0 381.520 3.556 20 10 GHCDRN COC(=O)c1nc([C@H]2CCCN2Cc2cc(F)cc(C(C)=O)c2O)sc1C ZINC000280534190 846435685 /nfs/dbraw/zinc/43/56/85/846435685.db2.gz SPARWOZZGHHWPU-OAHLLOKOSA-N 0 0 392.452 3.623 20 10 GHCDRN CCOc1ccccc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000128567213 861679083 /nfs/dbraw/zinc/67/90/83/861679083.db2.gz CTAXPMCZNQQAAK-UHFFFAOYSA-N 0 0 395.503 3.673 20 10 GHCDRN COCCCOc1cccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000543881586 846979880 /nfs/dbraw/zinc/97/98/80/846979880.db2.gz UFWRNSOODNXQNP-UHFFFAOYSA-N 0 0 385.464 3.599 20 10 GHCDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)s1 ZINC000158143692 847013089 /nfs/dbraw/zinc/01/30/89/847013089.db2.gz ICIBJMLUJUUBBR-UHFFFAOYSA-N 0 0 396.490 3.886 20 10 GHCDRN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000472223279 847065280 /nfs/dbraw/zinc/06/52/80/847065280.db2.gz OIEYDHFUEGECKS-FUHWJXTLSA-N 0 0 398.551 3.713 20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)Cc3ccc4c(c3)CCC4)cc2F)C[C@H](C)O1 ZINC000108288286 847069479 /nfs/dbraw/zinc/06/94/79/847069479.db2.gz QKFNZFXLYIQDOH-IRXDYDNUSA-N 0 0 396.506 3.787 20 10 GHCDRN Cc1ccc(-c2nnc(SCC(=O)NCc3ccc(N(C)C)cc3)o2)c(C)c1 ZINC000158591464 847123380 /nfs/dbraw/zinc/12/33/80/847123380.db2.gz HOOLIHMXFDULPK-UHFFFAOYSA-N 0 0 396.516 3.828 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc(-c2ncon2)cc1 ZINC000171182611 861760327 /nfs/dbraw/zinc/76/03/27/861760327.db2.gz HQCSYHFKYOGDPK-UHFFFAOYSA-N 0 0 395.488 3.612 20 10 GHCDRN Cc1ccc(CSCCNC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000065548397 847301124 /nfs/dbraw/zinc/30/11/24/847301124.db2.gz VGIVUWIRZWLULH-UHFFFAOYSA-N 0 0 399.560 3.564 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000273433961 847337702 /nfs/dbraw/zinc/33/77/02/847337702.db2.gz WNQWXDZAEXSPKE-UONOGXRCSA-N 0 0 397.475 3.875 20 10 GHCDRN C[C@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000273438760 847338761 /nfs/dbraw/zinc/33/87/61/847338761.db2.gz MLZZNVFTXXBZLJ-RMLUDKJBSA-N 0 0 398.212 3.533 20 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Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCO[C@H](c2ccncc2)C1 ZINC000514915091 850486415 /nfs/dbraw/zinc/48/64/15/850486415.db2.gz WHDMBRUYFMGJDJ-UWJYYQICSA-N 0 0 378.476 3.601 20 10 GHCDRN COc1ccc(N2CCCN([C@H]3CCN(c4ccccc4Cl)C3=O)CC2)cc1 ZINC000732198376 862141544 /nfs/dbraw/zinc/14/15/44/862141544.db2.gz OMKJKZKFMOXSMT-NRFANRHFSA-N 0 0 399.922 3.666 20 10 GHCDRN COC(=O)CN(Cc1cn2cc(Cl)ccc2n1)Cc1cc(Cl)ccc1O ZINC000732202732 862144648 /nfs/dbraw/zinc/14/46/48/862144648.db2.gz ACVRTEHXRHROAQ-UHFFFAOYSA-N 0 0 394.258 3.522 20 10 GHCDRN O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)C1=CC(=O)CS1 ZINC000732262875 862176871 /nfs/dbraw/zinc/17/68/71/862176871.db2.gz HQVMVOFBBQOZFY-UHFFFAOYSA-N 0 0 387.486 3.666 20 10 GHCDRN COc1cccc([C@H](O)CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1 ZINC000732293962 862195419 /nfs/dbraw/zinc/19/54/19/862195419.db2.gz CZYZNEVBHZEEQN-OAQYLSRUSA-N 0 0 382.435 3.705 20 10 GHCDRN CCc1ccc(-c2csc(NC(=O)COC(=O)C3=CC(=O)CS3)n2)cc1 ZINC000732352648 862222396 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COc1cccc(O)c1CN1CCN([C@@H](C)c2nc3ccccc3s2)CC1 ZINC000768200614 873136358 /nfs/dbraw/zinc/13/63/58/873136358.db2.gz ORHHJWUYRPDAGA-HNNXBMFYSA-N 0 0 383.517 3.889 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCNc4ncc(C)cc43)c2C)cc1 ZINC001169989157 873142341 /nfs/dbraw/zinc/14/23/41/873142341.db2.gz DRCDWDITEHAMIV-UHFFFAOYSA-N 0 0 376.460 3.878 20 10 GHCDRN Cc1c(Br)cccc1S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001196541365 873193515 /nfs/dbraw/zinc/19/35/15/873193515.db2.gz OYXPRZQNFSMBGS-UHFFFAOYSA-N 0 0 397.338 3.644 20 10 GHCDRN CCOc1cc(NC(=O)N[C@@H](C)c2ccccc2O)c([N+](=O)[O-])cc1OCC ZINC001196591547 873247451 /nfs/dbraw/zinc/24/74/51/873247451.db2.gz VEIGCAMWFNAZIU-LBPRGKRZSA-N 0 0 389.408 3.981 20 10 GHCDRN COc1cccc(O)c1CN1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000768440936 873305016 /nfs/dbraw/zinc/30/50/16/873305016.db2.gz BCEKISVJNYIJAW-UHFFFAOYSA-N 0 0 376.456 3.512 20 10 GHCDRN COC(=O)/C=C\c1ccc(N(CCc2nccs2)C(C)C)c([N+](=O)[O-])c1 ZINC000768490617 873351887 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CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000772799108 881197454 /nfs/dbraw/zinc/19/74/54/881197454.db2.gz WUMNKWCYTDULQK-AWEZNQCLSA-N 0 0 387.436 3.548 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(N3CCC(C)CC3)nc2)c1 ZINC000103511706 881257226 /nfs/dbraw/zinc/25/72/26/881257226.db2.gz BXFDMJTYFRMMJD-MRXNPFEDSA-N 0 0 398.507 3.593 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Cc2nnn(-c3ccc(C)cc3)c2C)cc1 ZINC000919968190 881305495 /nfs/dbraw/zinc/30/54/95/881305495.db2.gz DKNGNWDJATYVHJ-UHFFFAOYSA-N 0 0 391.519 3.589 20 10 GHCDRN CCC[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C1CCCCC1 ZINC000804616867 883152511 /nfs/dbraw/zinc/15/25/11/883152511.db2.gz DCSJMRUDKHXRPY-OAQYLSRUSA-N 0 0 383.536 3.544 20 10 GHCDRN CCOC(=O)CCN(C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)C1CC1 ZINC000116158115 883161569 /nfs/dbraw/zinc/16/15/69/883161569.db2.gz OZEYIIZEFVFCLF-UHFFFAOYSA-N 0 0 384.476 3.661 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H](c3ccccn3)C3CCC3)C2)cc1 ZINC000858551407 883191639 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GHCDRN Cc1ccc(F)c2[nH]c(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc21 ZINC000858625944 883241751 /nfs/dbraw/zinc/24/17/51/883241751.db2.gz HEXQFULYGNEKGF-UHFFFAOYSA-N 0 0 385.414 3.521 20 10 GHCDRN Cc1cc(Br)c(F)c(C(=O)Nc2cccc(N3CCOCC3)c2)c1 ZINC000858669971 883270716 /nfs/dbraw/zinc/27/07/16/883270716.db2.gz FEDXEIJWRNVEQR-UHFFFAOYSA-N 0 0 393.256 3.986 20 10 GHCDRN CC(C)(C)CCCCNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000804721520 883284134 /nfs/dbraw/zinc/28/41/34/883284134.db2.gz HKZXTDFTWHFELD-UHFFFAOYSA-N 0 0 386.492 3.847 20 10 GHCDRN COC(=O)/C=C/c1ccc(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c([N+](=O)[O-])c1 ZINC000804707332 883296660 /nfs/dbraw/zinc/29/66/60/883296660.db2.gz XUTKEZHSRHSXOM-CQPIPWFBSA-N 0 0 385.247 3.801 20 10 GHCDRN COc1cccc(/C(C)=C\C(=O)NCc2cc(Br)ccc2O)c1 ZINC000804739070 883299130 /nfs/dbraw/zinc/29/91/30/883299130.db2.gz PJIGSAJQVZIYAA-WQLSENKSSA-N 0 0 376.250 3.883 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)c1sccc1OC(F)F ZINC000804733592 883314221 /nfs/dbraw/zinc/31/42/21/883314221.db2.gz 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COCC[C@@H](NC(=O)NCc1cc(Br)ccc1O)c1ccc(C)o1 ZINC000805272160 883729993 /nfs/dbraw/zinc/72/99/93/883729993.db2.gz HCZNHOJVXJMRDV-CQSZACIVSA-N 0 0 397.269 3.633 20 10 GHCDRN COc1cc(C(=O)NCCCSc2nccs2)ccc1Br ZINC000859352212 883767019 /nfs/dbraw/zinc/76/70/19/883767019.db2.gz OFYCEBMDFOASGR-UHFFFAOYSA-N 0 0 387.324 3.826 20 10 GHCDRN CC1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCC(F)(F)CC1 ZINC000859459788 883826781 /nfs/dbraw/zinc/82/67/81/883826781.db2.gz HLPOFAXMUCLBPZ-UHFFFAOYSA-N 0 0 380.479 3.727 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCC(c3cn[nH]c3)CC2)ccc1C ZINC000859459709 883827116 /nfs/dbraw/zinc/82/71/16/883827116.db2.gz DQKWCBJPOWOAEZ-UHFFFAOYSA-N 0 0 390.487 3.958 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1CCc2ccccc2CC1 ZINC000859460188 883828196 /nfs/dbraw/zinc/82/81/96/883828196.db2.gz MRNPYFCYCQYNRQ-UHFFFAOYSA-N 0 0 392.543 3.707 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCCCn2ccnc2C)c1 ZINC000859567609 883899990 /nfs/dbraw/zinc/89/99/90/883899990.db2.gz TYEJLBSQFHSEHA-UHFFFAOYSA-N 0 0 378.476 3.622 20 10 GHCDRN O=C1N(CC(F)(F)F)CC[C@@]12CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001275235603 912764133 /nfs/dbraw/zinc/76/41/33/912764133.db2.gz CLHNGJNKGQEXMU-OAHLLOKOSA-N 0 0 397.224 3.686 20 10 GHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000859675375 883983832 /nfs/dbraw/zinc/98/38/32/883983832.db2.gz HHEBNMPWYOERMY-CGRMTHRGSA-N 0 0 398.453 3.959 20 10 GHCDRN O=C1C[C@@]2(CN1CC(F)F)CCCC[N@H+]2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001275236069 912779780 /nfs/dbraw/zinc/77/97/80/912779780.db2.gz IPLMKJDBONSKPO-QGZVFWFLSA-N 0 0 393.261 3.921 20 10 GHCDRN O=C([O-])[C@]12CCC[C@H]1C[N@H+](Cc1ccc3c(c1)CCN3Cc1ccccc1)C2 ZINC000859816357 884085989 /nfs/dbraw/zinc/08/59/89/884085989.db2.gz ZWQLCWJMXVISFL-URXFXBBRSA-N 0 0 376.500 3.936 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)cc1 ZINC000190585274 884090832 /nfs/dbraw/zinc/09/08/32/884090832.db2.gz OUWFTESTAQBYEW-INIZCTEOSA-N 0 0 384.528 3.534 20 10 GHCDRN COc1cccc(-c2nc(C(=O)NCc3ccc(N4CCCCC4)cc3)no2)c1 ZINC000760462071 884111442 /nfs/dbraw/zinc/11/14/42/884111442.db2.gz IGUQXXFLDFCYHX-UHFFFAOYSA-N 0 0 392.459 3.666 20 10 GHCDRN COCCCN(CCOC)C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000918674253 884167327 /nfs/dbraw/zinc/16/73/27/884167327.db2.gz WKZZSWCDPVXXPE-UHFFFAOYSA-N 0 0 378.900 3.873 20 10 GHCDRN Cc1ccccc1S(=O)(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000747284532 884215927 /nfs/dbraw/zinc/21/59/27/884215927.db2.gz ZWYORFSXEVNJFL-OAHLLOKOSA-N 0 0 396.459 3.544 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCC[C@@H]3COCC[C@@H]32)ccc1C ZINC000860001189 884255076 /nfs/dbraw/zinc/25/50/76/884255076.db2.gz XLBGHAITHGWKIQ-CTNGQTDRSA-N 0 0 380.488 3.856 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCC[C@H]3COCC[C@H]32)ccc1C ZINC000860001191 884255574 /nfs/dbraw/zinc/25/55/74/884255574.db2.gz XLBGHAITHGWKIQ-PZJWPPBQSA-N 0 0 380.488 3.856 20 10 GHCDRN Cc1ccc(/C=C2/SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)nc1 ZINC000761785771 884290469 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CC1(C)C[C@@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCS1 ZINC000897878513 884497985 /nfs/dbraw/zinc/49/79/85/884497985.db2.gz HLUUNIXXNLOIIF-DLBZAZTESA-N 0 0 378.538 3.757 20 10 GHCDRN Cc1ccc(CO[C@H](C)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000860346489 884582073 /nfs/dbraw/zinc/58/20/73/884582073.db2.gz BLRAHXTVVCKVBW-NQIIRXRSSA-N 0 0 383.488 3.814 20 10 GHCDRN Cc1cc(CCNC(=O)N2CCOC[C@H]2CC(F)F)c(C)n1-c1ccccc1 ZINC000806345713 884604333 /nfs/dbraw/zinc/60/43/33/884604333.db2.gz JOTNMKOEWBASTA-LJQANCHMSA-N 0 0 391.462 3.702 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)Nc1cccc(OCCF)c1 ZINC000806349827 884609363 /nfs/dbraw/zinc/60/93/63/884609363.db2.gz HHSCWYIRHLMBFZ-UHFFFAOYSA-N 0 0 383.217 3.825 20 10 GHCDRN CS[C@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000117480977 884685295 /nfs/dbraw/zinc/68/52/95/884685295.db2.gz KRDILVZQKQXGFO-WMZOPIPTSA-N 0 0 379.595 3.713 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 ZINC000860460763 884696820 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CC(C)Oc1cccc(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000117975789 885234633 /nfs/dbraw/zinc/23/46/33/885234633.db2.gz AFCLYXQJLQMIBD-OAQYLSRUSA-N 0 0 383.488 3.930 20 10 GHCDRN C[C@H](NC(=O)C(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000807191900 885283088 /nfs/dbraw/zinc/28/30/88/885283088.db2.gz LHMUUUVXRPJVJK-GXZWQRSESA-N 0 0 397.494 3.509 20 10 GHCDRN Cc1csc([C@H](NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)C2CC2)n1 ZINC000173420475 885310397 /nfs/dbraw/zinc/31/03/97/885310397.db2.gz IPYHTOUGSRABCT-CWFIWJMMSA-N 0 0 383.517 3.569 20 10 GHCDRN O=C(NCCCSc1nccs1)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000747394413 885404444 /nfs/dbraw/zinc/40/44/44/885404444.db2.gz RNLVYFSEDNRZCV-QGZVFWFLSA-N 0 0 393.553 3.935 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1OC1CCC1 ZINC000118213034 885428890 /nfs/dbraw/zinc/42/88/90/885428890.db2.gz FUUFAIMOBHOTBL-UHFFFAOYSA-N 0 0 384.451 3.524 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@@H](C)NC(=O)C2CCCC2)c(C)n1-c1ccccc1 ZINC000919354188 885477510 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908573900 /nfs/dbraw/zinc/57/39/00/908573900.db2.gz FQUCJFJYAGAYJO-MRXNPFEDSA-N 0 0 381.289 3.556 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC001177483349 908594154 /nfs/dbraw/zinc/59/41/54/908594154.db2.gz OBUYFDWUWPOCFB-UHFFFAOYSA-N 0 0 391.309 3.590 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000193696798 908637139 /nfs/dbraw/zinc/63/71/39/908637139.db2.gz JMHKRFBFGMBWFP-UHFFFAOYSA-N 0 0 378.432 3.616 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000193958313 908817602 /nfs/dbraw/zinc/81/76/02/908817602.db2.gz FKVLDWYCIKNIDL-SNVBAGLBSA-N 0 0 379.338 3.741 20 10 GHCDRN COc1cc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1Cl ZINC000194398725 908879515 /nfs/dbraw/zinc/87/95/15/908879515.db2.gz IKYLNBQXLBSYCP-UHFFFAOYSA-N 0 0 393.846 3.646 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3)cc1 ZINC000194530174 908890804 /nfs/dbraw/zinc/89/08/04/908890804.db2.gz HMJYVESSQFCTFE-HNNXBMFYSA-N 0 0 380.492 3.588 20 10 GHCDRN Cc1cc(C(=O)NCc2nc(CN(C)C)cs2)c(C)n1-c1ccccc1C ZINC001178083470 908897398 /nfs/dbraw/zinc/89/73/98/908897398.db2.gz DJLGWDGQAGYDGJ-UHFFFAOYSA-N 0 0 382.533 3.851 20 10 GHCDRN Cc1cc(C(=O)Nc2cc(F)cc(N3CCOCC3)c2)c(C)n1-c1ccccn1 ZINC000194804582 908929025 /nfs/dbraw/zinc/92/90/25/908929025.db2.gz QDGSCQANLRJUCR-UHFFFAOYSA-N 0 0 394.450 3.717 20 10 GHCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])[C@H](O)Cc1ccccc1 ZINC001178249343 908952066 /nfs/dbraw/zinc/95/20/66/908952066.db2.gz NHWZKOIWRUVJON-MEDUHNTESA-N 0 0 384.701 3.890 20 10 GHCDRN C[C@@H](S[C@@H]1CCCOC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000779834466 909021392 /nfs/dbraw/zinc/02/13/92/909021392.db2.gz TXDXTYUZCVUKKI-ZIAGYGMSSA-N 0 0 395.480 3.701 20 10 GHCDRN COc1cc(C(=O)Nc2cccc(N3CCCC3)c2)cc(NC(C)=O)c1OC ZINC000266259605 909052526 /nfs/dbraw/zinc/05/25/26/909052526.db2.gz MGQQBZCTGPNAKA-UHFFFAOYSA-N 0 0 383.448 3.515 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(NS(=O)(=O)CC)cc1 ZINC000266474724 909184030 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CC(=O)c1cc(Cl)cc(CN(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000267090484 909386079 /nfs/dbraw/zinc/38/60/79/909386079.db2.gz UGSYKEAIKGGTRJ-LBPRGKRZSA-N 0 0 395.908 3.845 20 10 GHCDRN O=C1c2ccccc2C(=O)N1CCC1=CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000795240717 909416224 /nfs/dbraw/zinc/41/62/24/909416224.db2.gz FCZJIGYZMLXKBC-UHFFFAOYSA-N 0 0 395.390 3.557 20 10 GHCDRN O=C(CCc1ccccc1Br)N1CCCc2cc(O)c(O)cc2C1 ZINC001179854032 909768877 /nfs/dbraw/zinc/76/88/77/909768877.db2.gz ASSKGAIRCQIZAE-UHFFFAOYSA-N 0 0 390.277 3.768 20 10 GHCDRN O=c1[nH]c(CN(Cc2ccccc2O)C[C@H]2CCCO2)nc2ccc(Cl)cc12 ZINC000268110514 909771732 /nfs/dbraw/zinc/77/17/32/909771732.db2.gz QNMSYIOJULVGLJ-MRXNPFEDSA-N 0 0 399.878 3.876 20 10 GHCDRN O=C(/C=C/c1cccc(OC(F)(F)F)c1)N1CCCc2cc(O)c(O)cc2C1 ZINC001179946019 909821106 /nfs/dbraw/zinc/82/11/06/909821106.db2.gz OHSSQVXYNJMXPY-VOTSOKGWSA-N 0 0 393.361 3.985 20 10 GHCDRN Cc1nc2c(cccc2C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)[nH]1 ZINC000801826321 921528173 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396.531 3.854 20 10 GHCDRN C[C@@H](NC(=O)N1CC[C@@H](c2ccc(F)cc2)C1)c1ccc(N2CCOCC2)cc1 ZINC000755128754 1023085297 /nfs/dbraw/zinc/08/52/97/1023085297.db2.gz BWMCNVCNIFZGDS-YLJYHZDGSA-N 0 0 397.494 3.922 20 10 GHCDRN CC(C)C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)N1CCCCC1=O ZINC000755167110 1023105383 /nfs/dbraw/zinc/10/53/83/1023105383.db2.gz BFTDUSUFUYHIJO-OAQYLSRUSA-N 0 0 385.552 3.671 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)Cc3cccc(F)c3F)cc2F)C[C@@H](C)O1 ZINC000755201573 1023122471 /nfs/dbraw/zinc/12/24/71/1023122471.db2.gz XCCLEIBGPRMHSP-ZIAGYGMSSA-N 0 0 392.421 3.576 20 10 GHCDRN CCO[C@@H]1CCC[C@H]1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000836662750 1023225640 /nfs/dbraw/zinc/22/56/40/1023225640.db2.gz VLPQFGJWNBEUAH-QZTJIDSGSA-N 0 0 397.466 3.514 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](c2nccs2)C(F)(F)F)c1 ZINC000836693475 1023262124 /nfs/dbraw/zinc/26/21/24/1023262124.db2.gz UNDBQQRBZBRDQZ-QPUJVOFHSA-N 0 0 375.372 3.521 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](c2nccs2)C(F)(F)F)c1 ZINC000836693473 1023262504 /nfs/dbraw/zinc/26/25/04/1023262504.db2.gz UNDBQQRBZBRDQZ-PELKAZGASA-N 0 0 375.372 3.521 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(N(C(C)=O)C3CC3)cc2)c1 ZINC000836701619 1023272818 /nfs/dbraw/zinc/27/28/18/1023272818.db2.gz GIOCCMUYJNNGGZ-CYBMUJFWSA-N 0 0 383.448 3.799 20 10 GHCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1cn(-c2ccc(F)cc2Cl)nn1 ZINC000755586219 1023302238 /nfs/dbraw/zinc/30/22/38/1023302238.db2.gz FPOWKJVIJGEWOR-DHDCSXOGSA-N 0 0 391.859 3.516 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(-c3nc(C)no3)nc2)cc1 ZINC000836734709 1023322942 /nfs/dbraw/zinc/32/29/42/1023322942.db2.gz JMWRJBWXQUDKNR-UHFFFAOYSA-N 0 0 394.479 3.950 20 10 GHCDRN COc1c(F)cc(NC(=O)NCc2ccc(N(C)C)c(F)c2)c(OC)c1F ZINC000836737475 1023324810 /nfs/dbraw/zinc/32/48/10/1023324810.db2.gz SJDIYCYKQNCSFJ-UHFFFAOYSA-N 0 0 383.370 3.509 20 10 GHCDRN C[C@H](NC(=O)Nc1ccc2cnccc2c1)c1ccc(N2CCOCC2)cc1 ZINC000836779349 1023360971 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382.229 3.916 20 10 GHCDRN C[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756432934 1023645761 /nfs/dbraw/zinc/64/57/61/1023645761.db2.gz UCZKHKDXQPVKSO-LLVKDONJSA-N 0 0 389.721 3.861 20 10 GHCDRN C[C@H]([NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1cc(F)cc(F)c1[O-] ZINC000756462311 1023664712 /nfs/dbraw/zinc/66/47/12/1023664712.db2.gz XOOQZBGMXPLVRJ-GWCFXTLKSA-N 0 0 391.336 3.780 20 10 GHCDRN C[C@@H]([NH2+]CCN1Cc2ccccc2C1)c1cc(Br)cc(F)c1[O-] ZINC000756478099 1023676407 /nfs/dbraw/zinc/67/64/07/1023676407.db2.gz FGISEHKVJYBJAT-GFCCVEGCSA-N 0 0 379.273 3.960 20 10 GHCDRN C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1cc(F)cc(F)c1[O-] ZINC000756478579 1023677311 /nfs/dbraw/zinc/67/73/11/1023677311.db2.gz DOKCPFOJJVLMMQ-VIFPVBQESA-N 0 0 385.208 3.722 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)c1 ZINC000756496230 1023685041 /nfs/dbraw/zinc/68/50/41/1023685041.db2.gz FDJCZVYKECHRME-CQSZACIVSA-N 0 0 385.460 3.578 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)c1 ZINC000756510154 1023690109 /nfs/dbraw/zinc/69/01/09/1023690109.db2.gz NZGUICALXSCYSV-HZPDHXFCSA-N 0 0 388.533 3.803 20 10 GHCDRN Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756524486 1023697179 /nfs/dbraw/zinc/69/71/79/1023697179.db2.gz GATWSEQNLRHJIA-GFCCVEGCSA-N 0 0 377.828 3.942 20 10 GHCDRN C[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cc(Br)cc(F)c1[O-] ZINC000756539540 1023705876 /nfs/dbraw/zinc/70/58/76/1023705876.db2.gz PXWXSRJGMUXOCE-MRVPVSSYSA-N 0 0 396.182 3.903 20 10 GHCDRN C[C@H]([NH2+]C[C@]1(C)CCOC1)c1cc(Br)cc(Br)c1[O-] ZINC000756575880 1023718123 /nfs/dbraw/zinc/71/81/23/1023718123.db2.gz QXDHOMWRIYBGRO-XPTSAGLGSA-N 0 0 393.119 3.994 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCN(c3cccc(OC)c3)C2)c1 ZINC000756588274 1023723457 /nfs/dbraw/zinc/72/34/57/1023723457.db2.gz GWYQIPJGLUDCPL-DOTOQJQBSA-N 0 0 384.476 3.507 20 10 GHCDRN 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1024247240 /nfs/dbraw/zinc/24/72/40/1024247240.db2.gz BOBCQFQVYVFMAH-ZJRUKIMVSA-N 0 0 380.238 3.604 20 10 GHCDRN C[N@H+](Cc1cn(CC(=O)[O-])c2ccccc12)Cc1ccc(N2CCCC2)cc1 ZINC001138192902 1024340188 /nfs/dbraw/zinc/34/01/88/1024340188.db2.gz IFSPTLUPFPYTJF-UHFFFAOYSA-N 0 0 377.488 3.958 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@@H]1F ZINC001138215623 1024380039 /nfs/dbraw/zinc/38/00/39/1024380039.db2.gz MBOOJCJERIJJPU-OALUTQOASA-N 0 0 377.504 3.724 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)cc1 ZINC000837379518 1024398031 /nfs/dbraw/zinc/39/80/31/1024398031.db2.gz ICXYMFVQHOHQLN-UHFFFAOYSA-N 0 0 388.899 3.554 20 10 GHCDRN Cc1cc(CCNC(=O)N2CCC3(CC2)OCCCO3)c(C)n1-c1ccccc1 ZINC000837402860 1024426332 /nfs/dbraw/zinc/42/63/32/1024426332.db2.gz BNUZEWCORBZDSJ-UHFFFAOYSA-N 0 0 397.519 3.575 20 10 GHCDRN COC[C@H]1CN(Cc2c(C)n(C)c3ccccc23)Cc2nn(CC3CC3)cc21 ZINC001138253904 1024475982 /nfs/dbraw/zinc/47/59/82/1024475982.db2.gz KEGAWIHGLFZHMQ-GOSISDBHSA-N 0 0 378.520 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385.265 3.605 20 10 GHCDRN COc1ncc(Nc2ccc(N(C)CCN(C)c3ccc(N)cc3)cc2)cc1N ZINC001203515062 1027393409 /nfs/dbraw/zinc/39/34/09/1027393409.db2.gz XLKZPPQCGONERJ-UHFFFAOYSA-N 0 0 392.507 3.571 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NCc3cnccc3C(C)(C)C)CC2)cc1 ZINC000840284219 1027409078 /nfs/dbraw/zinc/40/90/78/1027409078.db2.gz WAXMYDJKHRJTIK-UHFFFAOYSA-N 0 0 396.535 3.856 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNc3ccc(C(=O)N(C)C)nn3)cc2Cl)C1 ZINC000840298195 1027423530 /nfs/dbraw/zinc/42/35/30/1027423530.db2.gz QCQFXQVLLRAAGL-CQSZACIVSA-N 0 0 387.915 3.680 20 10 GHCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001203578050 1027446996 /nfs/dbraw/zinc/44/69/96/1027446996.db2.gz KMCXUQUMHZFJAI-APWZRJJASA-N 0 0 395.286 3.906 20 10 GHCDRN Cc1noc(C2CCC(NC(=O)N[C@@H](C)Cc3ccc(N(C)C)cc3C)CC2)n1 ZINC000840323235 1027451838 /nfs/dbraw/zinc/45/18/38/1027451838.db2.gz ZLTJMIGNAZFVID-DMKPSLHHSA-N 0 0 399.539 3.709 20 10 GHCDRN C[C@@H]1CN(Cc2cc(Br)ccc2O)CCN(C(=O)OC(C)(C)C)C1 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CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Nc3ccc(N)cc3)cc2)CC1 ZINC001204011883 1027804699 /nfs/dbraw/zinc/80/46/99/1027804699.db2.gz HAYIPHGSDIHDRT-UHFFFAOYSA-N 0 0 396.491 3.705 20 10 GHCDRN CC(C)(O)c1nnc(NCc2ccc(N3CCCCC3)c(Br)c2)o1 ZINC000840885769 1027922357 /nfs/dbraw/zinc/92/23/57/1027922357.db2.gz ZXHTZEGIOJNQNP-UHFFFAOYSA-N 0 0 395.301 3.662 20 10 GHCDRN Cc1cc(O)c(CN2CCn3c(CCc4ccccc4)nnc3C2)c(Cl)c1 ZINC000840915652 1027951826 /nfs/dbraw/zinc/95/18/26/1027951826.db2.gz DZZUYGRBWHPBLX-UHFFFAOYSA-N 0 0 382.895 3.747 20 10 GHCDRN CCOc1cccc(CNc2ccc(C(=O)N3CCSCC3)cc2C)c1O ZINC000840952802 1027982640 /nfs/dbraw/zinc/98/26/40/1027982640.db2.gz UNTWXVFLXNTXIB-UHFFFAOYSA-N 0 0 386.517 3.900 20 10 GHCDRN CCc1cccc2c(C3CCN(C(=O)C(=O)Nc4ccc(N)cc4)CC3)c[nH]c21 ZINC000841021069 1028047207 /nfs/dbraw/zinc/04/72/07/1028047207.db2.gz ZAMFJYZTPXSNBV-UHFFFAOYSA-N 0 0 390.487 3.657 20 10 GHCDRN COc1cc(-c2noc(-c3csc(-c4ccc(N(C)C)cc4)n3)n2)ccn1 ZINC001213243153 1028064756 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CC[C@H](C(=O)N(CC)Cc1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C ZINC001142410654 1028833591 /nfs/dbraw/zinc/83/35/91/1028833591.db2.gz OUXFWHWCQGFQIG-GOSISDBHSA-N 0 0 377.529 3.747 20 10 GHCDRN CO[C@H]1Cc2ccc(NC(=O)N[C@H](C)Cc3ccc(N(C)C)cc3C)cc2C1 ZINC000841688443 1028835968 /nfs/dbraw/zinc/83/59/68/1028835968.db2.gz HOEDUSMEFVMSOT-ZHRRBRCNSA-N 0 0 381.520 3.927 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CC1 ZINC001142418585 1028863578 /nfs/dbraw/zinc/86/35/78/1028863578.db2.gz HDKADKDOVAKWNA-HNNXBMFYSA-N 0 0 392.503 3.812 20 10 GHCDRN Nc1ccc2c(c1)CCC[C@H]2NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841707306 1028864323 /nfs/dbraw/zinc/86/43/23/1028864323.db2.gz PPECJOCPBXJWFN-OAQYLSRUSA-N 0 0 396.560 3.699 20 10 GHCDRN CC(=O)c1cc(Nc2c(CC(N)=O)cccc2C(=O)c2ccccc2)cs1 ZINC001214785769 1028912122 /nfs/dbraw/zinc/91/21/22/1028912122.db2.gz VHTXLLZMWSXBGL-UHFFFAOYSA-N 0 0 378.453 3.953 20 10 GHCDRN CCOC(=O)c1snnc1-c1nc(-c2cc(F)ccc2C(F)(F)F)no1 ZINC001214859795 1028941647 /nfs/dbraw/zinc/94/16/47/1028941647.db2.gz XSZOQFFWQWFTQJ-UHFFFAOYSA-N 0 0 388.302 3.590 20 10 GHCDRN Cc1cc(Br)c2c(c1)CN(C(=O)NCCc1ccc(N)cc1)CC2 ZINC000841957500 1029012668 /nfs/dbraw/zinc/01/26/68/1029012668.db2.gz BXYJPQNVKOAKLC-UHFFFAOYSA-N 0 0 388.309 3.650 20 10 GHCDRN Nc1ccc(CCNC(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000841954396 1029012853 /nfs/dbraw/zinc/01/28/53/1029012853.db2.gz LJVZESUIBXVCBD-SFHVURJKSA-N 0 0 375.925 3.964 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)NCc2cccc3c2CCCN3)C2CC2)cc1 ZINC000841994592 1029026097 /nfs/dbraw/zinc/02/60/97/1029026097.db2.gz HJIFMOLNRLCAQX-UHFFFAOYSA-N 0 0 378.520 3.985 20 10 GHCDRN O=C(COc1cc(Cl)c(Cl)cc1Cl)NCc1ccc(O)cc1O ZINC001142530942 1029033955 /nfs/dbraw/zinc/03/39/55/1029033955.db2.gz VZPHOGWICICZEQ-UHFFFAOYSA-N 0 0 376.623 3.753 20 10 GHCDRN Oc1ccc(-c2nc(-c3ccc(F)cc3I)no2)cc1O ZINC001215304126 1029141219 /nfs/dbraw/zinc/14/12/19/1029141219.db2.gz FRAVKFPTCBBROK-UHFFFAOYSA-N 0 0 398.131 3.559 20 10 GHCDRN Oc1ccc(-c2nc(-c3ccc(Br)c(F)c3F)no2)c(O)c1O ZINC001215325119 1029153303 /nfs/dbraw/zinc/15/33/03/1029153303.db2.gz BVGHTUAROLKMGL-UHFFFAOYSA-N 0 0 385.120 3.561 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(-c2cccs2)o1 ZINC001142691248 1029272848 /nfs/dbraw/zinc/27/28/48/1029272848.db2.gz YLUPNHBVZJVHTR-UHFFFAOYSA-N 0 0 385.441 3.919 20 10 GHCDRN O=C(CCC(=O)NCc1ccc2cccnc2c1O)CCC(=O)c1cccs1 ZINC001142727804 1029351633 /nfs/dbraw/zinc/35/16/33/1029351633.db2.gz GFFXQWVJRJSRBG-UHFFFAOYSA-N 0 0 396.468 3.631 20 10 GHCDRN O=C(c1ccccc1)c1ccc(O)c(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c1[O-] ZINC000842614365 1029414851 /nfs/dbraw/zinc/41/48/51/1029414851.db2.gz HRZXHQQRCQEDMG-PXNSSMCTSA-N 0 0 381.472 3.720 20 10 GHCDRN CNc1ncnc2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)ccc21 ZINC001142843884 1029568464 /nfs/dbraw/zinc/56/84/64/1029568464.db2.gz FRROFSZWCXTHCQ-UHFFFAOYSA-N 0 0 375.476 3.592 20 10 GHCDRN NC(=O)C[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])c1ccccc1 ZINC001461543869 1069601394 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GHCDRN COc1ccc(O[C@H](C)C(=O)OC[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000842878009 1029656259 /nfs/dbraw/zinc/65/62/59/1029656259.db2.gz JJTKYFMDOHJDTD-SJORKVTESA-N 0 0 385.460 3.541 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)C3(c4ccccc4OC)CC3)C2)cc1 ZINC000842879635 1029656426 /nfs/dbraw/zinc/65/64/26/1029656426.db2.gz UPOFUIOQROWWLD-QGZVFWFLSA-N 0 0 381.472 3.805 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)C2)cc1 ZINC000842880463 1029657918 /nfs/dbraw/zinc/65/79/18/1029657918.db2.gz YBCVPJHUGHWMMH-OAHLLOKOSA-N 0 0 394.471 3.608 20 10 GHCDRN CS[C@H](C(N)=O)c1cccc(C(=O)c2ccccc2)c1NC1=CCCOC1 ZINC001216509557 1029665608 /nfs/dbraw/zinc/66/56/08/1029665608.db2.gz PXRVACXKDVGDCN-FQEVSTJZSA-N 0 0 382.485 3.523 20 10 GHCDRN C[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)c1cc(Br)cc(Cl)c1[O-] ZINC000842919092 1029684528 /nfs/dbraw/zinc/68/45/28/1029684528.db2.gz JIZXPPOZUGAFDJ-QLJPJBMISA-N 0 0 392.721 3.636 20 10 GHCDRN Cc1cc(-c2nnc(N3CC[C@@H]4OCC[C@@H]4C3)n2C)c(C)n1-c1ccccc1 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ZINC001234678150 1040210557 /nfs/dbraw/zinc/21/05/57/1040210557.db2.gz VXFMQONPPWXLCU-AWEZNQCLSA-N 0 0 396.395 3.518 20 10 GHCDRN O=c1cc2[nH]c(-c3ccccc3)cc(O)c-2c(O[C@@H]2COc3cnccc32)c1O ZINC001234682894 1040213608 /nfs/dbraw/zinc/21/36/08/1040213608.db2.gz QNTYVIDGVPIJST-LJQANCHMSA-N 0 0 388.379 3.514 20 10 GHCDRN COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O[C@H](C)C2CC2)c1O ZINC001234802165 1040333627 /nfs/dbraw/zinc/33/36/27/1040333627.db2.gz DCKINRSGOGQQQQ-SNVBAGLBSA-N 0 0 384.384 3.763 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)c1 ZINC001234940930 1040446724 /nfs/dbraw/zinc/44/67/24/1040446724.db2.gz WSPZIHXLPYPRIC-OAHLLOKOSA-N 0 0 393.409 3.798 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)C[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234990420 1040486142 /nfs/dbraw/zinc/48/61/42/1040486142.db2.gz GXILNWHOKGKMKT-MOPGFXCFSA-N 0 0 398.503 3.519 20 10 GHCDRN Oc1c(C[N@@H+]2CCc3onc(Cn4cccn4)c3C2)cccc1-c1ccccc1 ZINC001234996228 1040490348 /nfs/dbraw/zinc/49/03/48/1040490348.db2.gz XCKWLLHRYMTBAD-UHFFFAOYSA-N 0 0 386.455 3.850 20 10 GHCDRN CCc1nc(C2CC[NH+](Cc3cc(Br)cc(F)c3[O-])CC2)no1 ZINC001235067206 1040557111 /nfs/dbraw/zinc/55/71/11/1040557111.db2.gz SQPFAZAUWQMNIK-UHFFFAOYSA-N 0 0 384.249 3.619 20 10 GHCDRN CCC(=O)N(CC)C1CC[NH+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001235076590 1040564892 /nfs/dbraw/zinc/56/48/92/1040564892.db2.gz YFCJRTDYNQZBCD-UHFFFAOYSA-N 0 0 387.293 3.517 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCC(F)(F)c2cc(F)cc(F)c2)c1 ZINC001254863714 1040606427 /nfs/dbraw/zinc/60/64/27/1040606427.db2.gz BTIDOVREFSQXJH-SNVBAGLBSA-N 0 0 386.345 3.831 20 10 GHCDRN CC(C)n1ncc2c1[C@@H](NC(=O)NCc1c(O)ccc3c1CCCC3)CCC2 ZINC001254945918 1040685072 /nfs/dbraw/zinc/68/50/72/1040685072.db2.gz VINBTLOJVDHLOG-IBGZPJMESA-N 0 0 382.508 3.925 20 10 GHCDRN COc1ccc(C[N@H+](C)Cc2cc(F)cc(Br)c2[O-])cc1OC ZINC001235302142 1040774280 /nfs/dbraw/zinc/77/42/80/1040774280.db2.gz MKNQHESWOAPZRR-UHFFFAOYSA-N 0 0 384.245 3.943 20 10 GHCDRN [O-]c1c(Br)cc(F)cc1C[N@@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001235301219 1040775173 /nfs/dbraw/zinc/77/51/73/1040775173.db2.gz DUHASVXDEHJMNX-OAHLLOKOSA-N 0 0 381.245 3.732 20 10 GHCDRN CN(CC[N@H+](C)Cc1cc(F)cc(Br)c1[O-])Cc1ccccc1 ZINC001235306193 1040777312 /nfs/dbraw/zinc/77/73/12/1040777312.db2.gz RVBFJOZAQRWOKM-UHFFFAOYSA-N 0 0 381.289 3.858 20 10 GHCDRN Cc1cccnc1O[C@@H]1CC[N@H+](Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235309895 1040784381 /nfs/dbraw/zinc/78/43/81/1040784381.db2.gz YKJQFIQLSPZQAB-CQSZACIVSA-N 0 0 381.245 3.651 20 10 GHCDRN CNc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001278861317 1040967515 /nfs/dbraw/zinc/96/75/15/1040967515.db2.gz HWOAURVCGSGIHX-AWEZNQCLSA-N 0 0 393.409 3.764 20 10 GHCDRN CC/C(=C/C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccc(OC)cc1 ZINC001278861726 1040970858 /nfs/dbraw/zinc/97/08/58/1040970858.db2.gz MRNPTXRZZRSCDQ-QQSJCBEGSA-N 0 0 380.488 3.892 20 10 GHCDRN C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1cc(Cl)c2cccnc2c1[O-] ZINC001255802987 1041309823 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ZINC001237209487 1042091972 /nfs/dbraw/zinc/09/19/72/1042091972.db2.gz ZAYSVWRSORTTLO-FQEVSTJZSA-N 0 0 392.540 3.563 20 10 GHCDRN Oc1cc(F)cc(CN2CCN(c3ccc(OCc4cccnc4)cc3)CC2)c1 ZINC001237285780 1042123791 /nfs/dbraw/zinc/12/37/91/1042123791.db2.gz AWOSPZZDTCNBSB-UHFFFAOYSA-N 0 0 393.462 3.828 20 10 GHCDRN COc1ccc(N2CCN(Cc3ccc(F)c4cccnc34)CC2)c(OC)c1 ZINC001237433958 1042206379 /nfs/dbraw/zinc/20/63/79/1042206379.db2.gz NEUAKGUEIKUZGJ-UHFFFAOYSA-N 0 0 381.451 3.713 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc(Cl)nc(Cl)c1[O-] ZINC001237535449 1042254580 /nfs/dbraw/zinc/25/45/80/1042254580.db2.gz RVTGECUELAWSPD-UHFFFAOYSA-N 0 0 382.291 3.563 20 10 GHCDRN COC(=O)c1ccc2c(c1)CCN(Cc1cc(Br)c(C)cc1O)C2 ZINC001237677836 1042319157 /nfs/dbraw/zinc/31/91/57/1042319157.db2.gz PXNHRFYMAGFIOJ-UHFFFAOYSA-N 0 0 390.277 3.808 20 10 GHCDRN CCC1(O)CC[NH+](Cc2cc(Br)cc(C(F)(F)F)c2[O-])CC1 ZINC001237791782 1042372643 /nfs/dbraw/zinc/37/26/43/1042372643.db2.gz MAYNDDLYQLSRRD-UHFFFAOYSA-N 0 0 382.220 3.910 20 10 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CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001462874432 1070616298 /nfs/dbraw/zinc/61/62/98/1070616298.db2.gz UIDZNISLUYQSFF-PMACEKPBSA-N 0 0 393.597 3.720 20 10 GHCDRN Cc1ccc(S(=O)(=O)NCc2cc(Cl)c3cccnc3c2O)cc1C ZINC001259169588 1044989654 /nfs/dbraw/zinc/98/96/54/1044989654.db2.gz CXWJURYLOUBXSA-UHFFFAOYSA-N 0 0 376.865 3.689 20 10 GHCDRN O=C(c1ccc(F)cc1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCO2 ZINC001259349586 1045094567 /nfs/dbraw/zinc/09/45/67/1045094567.db2.gz RNRORERVADCTFA-UHFFFAOYSA-N 0 0 397.427 3.792 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](C)c2nnc(C(C)C)[nH]2)CCCC1 ZINC001296000164 1045218103 /nfs/dbraw/zinc/21/81/03/1045218103.db2.gz QGNPAAYWRHBWOM-AWEZNQCLSA-N 0 0 395.507 3.648 20 10 GHCDRN O=C1c2cccc(NS(=O)(=O)C3CCCC3)c2C(=O)c2cccc(Cl)c21 ZINC001259801351 1045308438 /nfs/dbraw/zinc/30/84/38/1045308438.db2.gz BEZDYROPPADIQR-UHFFFAOYSA-N 0 0 389.860 3.800 20 10 GHCDRN COCCS(=O)(=O)N(C)CCC=C1c2ccccc2CCc2ccccc21 ZINC001259969975 1045337033 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C[C@@H]1CCCN(c2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2[N+](=O)[O-])C1 ZINC000744380806 1045659303 /nfs/dbraw/zinc/65/93/03/1045659303.db2.gz KPKDTSDHGASENQ-MRXNPFEDSA-N 0 0 396.491 3.827 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc(-c2cccnc2)n1C[C@@]1(C)CCCS1 ZINC001298363230 1045784698 /nfs/dbraw/zinc/78/46/98/1045784698.db2.gz AMSRJJSHHCAOIZ-OAQYLSRUSA-N 0 0 395.532 3.968 20 10 GHCDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc2cccnc2c1O ZINC001299721092 1045784932 /nfs/dbraw/zinc/78/49/32/1045784932.db2.gz ALDPOSKQQPSVOG-LBPRGKRZSA-N 0 0 383.429 3.646 20 10 GHCDRN O=C(NCc1ccc2cccnc2c1O)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC001299726553 1045835849 /nfs/dbraw/zinc/83/58/49/1045835849.db2.gz UGZZODAXIACGCT-UHFFFAOYSA-N 0 0 396.353 3.858 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCCOCC2CCCC2)cc1 ZINC001299038903 1046001532 /nfs/dbraw/zinc/00/15/32/1046001532.db2.gz WPYPVGINLFAHFB-UHFFFAOYSA-N 0 0 382.504 3.772 20 10 GHCDRN CN1CCCc2cc(CNC(=O)N[C@H](c3cccs3)C3(CO)CCC3)ccc21 ZINC001261654831 1046053539 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Cc1cccc2c1C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)CO2 ZINC001313059820 1052946565 /nfs/dbraw/zinc/94/65/65/1052946565.db2.gz VNJYNSFQUZFVKW-GOSISDBHSA-N 0 0 379.504 3.739 20 10 GHCDRN Cc1cc(CCNC(=O)NC[C@@H](O)c2ccc(C)cc2)c(C)n1-c1ccccc1 ZINC001313099675 1052957297 /nfs/dbraw/zinc/95/72/97/1052957297.db2.gz FRMSBGQJQLVEKL-HSZRJFAPSA-N 0 0 391.515 3.978 20 10 GHCDRN Cc1cc(CNC(=O)NC[C@H](O)c2ccc(F)cc2)c(C)n1-c1ccccc1 ZINC001313131766 1052964944 /nfs/dbraw/zinc/96/49/44/1052964944.db2.gz BUHSHTIVLCBREN-NRFANRHFSA-N 0 0 381.451 3.766 20 10 GHCDRN Cc1n[nH]c(=O)c(C[NH2+][C@@H](C)c2cc(Br)cc(Cl)c2[O-])c1C ZINC001342407808 1053153851 /nfs/dbraw/zinc/15/38/51/1053153851.db2.gz JZYZXCASIQTRAQ-VIFPVBQESA-N 0 0 386.677 3.771 20 10 GHCDRN CCO[C@H]1CCCN(c2nnc(CC)n2Cc2ccc(N(CC)CC)cc2)C1 ZINC001314274799 1053372173 /nfs/dbraw/zinc/37/21/73/1053372173.db2.gz LJGDXKYGVNRATH-FQEVSTJZSA-N 0 0 385.556 3.740 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc(CC2CC2)n1C[C@](C)(O)c1ccsc1 ZINC001314753659 1053589936 /nfs/dbraw/zinc/58/99/36/1053589936.db2.gz UUCBAMCGJYFSGM-NRFANRHFSA-N 0 0 398.532 3.542 20 10 GHCDRN C[C@H]1CSCCN1c1nnc(C2SC=CC2=O)n1Cc1cccs1 ZINC001343544411 1053862122 /nfs/dbraw/zinc/86/21/22/1053862122.db2.gz QSWAHZZQIXOSHV-NSHDSACASA-N 0 0 378.548 3.764 20 10 GHCDRN CS[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccccc1O ZINC001316391424 1054144122 /nfs/dbraw/zinc/14/41/22/1054144122.db2.gz WMVBITNYKOHHFK-PBHICJAKSA-N 0 0 376.526 3.613 20 10 GHCDRN COC(=O)c1c[nH]c(=O)c(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)c1 ZINC001317904697 1054300107 /nfs/dbraw/zinc/30/01/07/1054300107.db2.gz BRBCEGNZUVCPAL-UHFFFAOYSA-N 0 0 399.834 3.887 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001317910246 1054304240 /nfs/dbraw/zinc/30/42/40/1054304240.db2.gz VRSOXKPWPCMPBB-ROUUACIJSA-N 0 0 389.515 3.509 20 10 GHCDRN C[C@H](c1ccsc1)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCOC1 ZINC001344230937 1054308270 /nfs/dbraw/zinc/30/82/70/1054308270.db2.gz JPLBGBVIJJHDEM-HZPDHXFCSA-N 0 0 398.532 3.870 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OCc2ncnn2CC(F)F)c1 ZINC001344424891 1054451140 /nfs/dbraw/zinc/45/11/40/1054451140.db2.gz FHPMKCLJTZUILP-UHFFFAOYSA-N 0 0 394.809 3.961 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H](C)c2nnc3n2CCC3)c1 ZINC001318444819 1054643879 /nfs/dbraw/zinc/64/38/79/1054643879.db2.gz YIPYWOYHKUKPPW-AWEZNQCLSA-N 0 0 383.883 3.776 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001319169445 1055075363 /nfs/dbraw/zinc/07/53/63/1055075363.db2.gz FJOPLWDBJZLORP-OALUTQOASA-N 0 0 389.540 3.761 20 10 GHCDRN O=C(CCc1ccc2c(c1)CCO2)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001319204907 1055094613 /nfs/dbraw/zinc/09/46/13/1055094613.db2.gz FYGMULORDHHJGS-UHFFFAOYSA-N 0 0 384.439 3.903 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)Cc3c[nH]c4cccc(C)c34)CC2)cc1 ZINC001319496213 1055289730 /nfs/dbraw/zinc/28/97/30/1055289730.db2.gz JPGUTWJGYSVFOE-UHFFFAOYSA-N 0 0 377.488 3.766 20 10 GHCDRN O=C(c1cc2c(cc1Cl)NC(=O)C2)N(Cc1ccco1)Cc1ccccc1O ZINC001319523959 1055306688 /nfs/dbraw/zinc/30/66/88/1055306688.db2.gz RGLXAGBVOHPCON-UHFFFAOYSA-N 0 0 396.830 3.976 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)c3ccc4nc(C)c(C)nc4c3)CC2)cc1 ZINC001319858236 1055507407 /nfs/dbraw/zinc/50/74/07/1055507407.db2.gz IMGVJNDELOWFCL-UHFFFAOYSA-N 0 0 390.487 3.608 20 10 GHCDRN c1ccc2c(c1)OC[C@@H](c1nnc(NCc3ccc(N4CCCC4)cc3)o1)O2 ZINC001320138891 1055670466 /nfs/dbraw/zinc/67/04/66/1055670466.db2.gz AIGVMBXLXAQROI-IBGZPJMESA-N 0 0 378.432 3.794 20 10 GHCDRN COc1ccc(CNC(=O)c2ccn(-c3ccccc3C(F)(F)F)n2)c(O)c1 ZINC001321099746 1056093090 /nfs/dbraw/zinc/09/30/90/1056093090.db2.gz FFMYPWOSUGGKDD-UHFFFAOYSA-N 0 0 391.349 3.535 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccn(C2CCCCC2)n1 ZINC001321321685 1056223616 /nfs/dbraw/zinc/22/36/16/1056223616.db2.gz LUSLQWJZGBYKHX-UHFFFAOYSA-N 0 0 398.507 3.861 20 10 GHCDRN COC(=O)[C@@]1(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CC[C@@H](C)CC1 ZINC001300525832 1056365944 /nfs/dbraw/zinc/36/59/44/1056365944.db2.gz QRMWMABFERNCFH-CWSKOGRWSA-N 0 0 398.503 3.954 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(Nc2ccccc2)CC1 ZINC001322034037 1056483356 /nfs/dbraw/zinc/48/33/56/1056483356.db2.gz WHDVCSVACNQBHI-UHFFFAOYSA-N 0 0 376.504 3.849 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CC(C)(C)C3(C)C)cc2F)C[C@@H](C)O1 ZINC001322283101 1056606453 /nfs/dbraw/zinc/60/64/53/1056606453.db2.gz DMJLEXOXKIYENC-HUUCEWRRSA-N 0 0 377.504 3.769 20 10 GHCDRN Cc1cc(-c2nnc(CN(C)C)o2)c(C)n1-c1ccccc1Br ZINC001322340757 1056639403 /nfs/dbraw/zinc/63/94/03/1056639403.db2.gz UIXIZIKOJZDEBZ-UHFFFAOYSA-N 0 0 375.270 3.968 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=S)Nc1ccc(F)c(F)c1 ZINC001200691035 1056744665 /nfs/dbraw/zinc/74/46/65/1056744665.db2.gz HLNBVVDLLATABX-UHFFFAOYSA-N 0 0 377.460 3.630 20 10 GHCDRN CCCOc1nc2ccccc2cc1/C=C/C(=O)N1CCN(C)c2ncccc21 ZINC001354679979 1056885715 /nfs/dbraw/zinc/88/57/15/1056885715.db2.gz DQOMMFLBOANIJF-ZHACJKMWSA-N 0 0 388.471 3.915 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CCO[C@@H](c2ccccc2)O1 ZINC000848224422 1056910878 /nfs/dbraw/zinc/91/08/78/1056910878.db2.gz BEQVAZSSZIJGAJ-JWNTYJGQSA-N 0 0 382.504 3.613 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[C@H](c1nccn1C)C(F)(F)F ZINC000848226999 1056912530 /nfs/dbraw/zinc/91/25/30/1056912530.db2.gz XKXZYNIYUSHUEL-WMLDXEAASA-N 0 0 396.457 3.578 20 10 GHCDRN COc1ncccc1Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccccc1O ZINC001300707969 1056927694 /nfs/dbraw/zinc/92/76/94/1056927694.db2.gz SBAZFTVZXNCDFX-UHFFFAOYSA-N 0 0 395.507 3.661 20 10 GHCDRN CSc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC001354754388 1056928326 /nfs/dbraw/zinc/92/83/26/1056928326.db2.gz FYWRZUJBDVYFGV-CYBMUJFWSA-N 0 0 393.459 3.804 20 10 GHCDRN CC(C)NC(=S)Nc1ccc(Br)cc1C(=O)c1ccccn1 ZINC001200789598 1056949715 /nfs/dbraw/zinc/94/97/15/1056949715.db2.gz OBZAFILXDMXODK-UHFFFAOYSA-N 0 0 378.295 3.770 20 10 GHCDRN O=C(Nc1c2nonc2ccc1Cl)c1nn(-c2ccccc2)c2c1CCC2 ZINC001323416090 1056966975 /nfs/dbraw/zinc/96/69/75/1056966975.db2.gz DHDIHNGQDWARDK-UHFFFAOYSA-N 0 0 379.807 3.803 20 10 GHCDRN O=C(Nc1c2nonc2ccc1Cl)c1cn(-c2cccc(Cl)c2F)nn1 ZINC001323708052 1057003612 /nfs/dbraw/zinc/00/36/12/1057003612.db2.gz VCCIFRLZQXTTBC-UHFFFAOYSA-N 0 0 393.165 3.502 20 10 GHCDRN COc1ccc(COCCCC(=O)Nc2c3nonc3ccc2Cl)cc1 ZINC001324142109 1057078170 /nfs/dbraw/zinc/07/81/70/1057078170.db2.gz WTFQTYFCEAWNJZ-UHFFFAOYSA-N 0 0 375.812 3.820 20 10 GHCDRN Cc1cc(C(=O)COC(=O)Cc2c[nH]c3cnccc23)c(C)n1-c1ccccc1 ZINC001324241121 1057095752 /nfs/dbraw/zinc/09/57/52/1057095752.db2.gz JSBWIEFYJSCSHC-UHFFFAOYSA-N 0 0 387.439 3.939 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)cc1 ZINC001324298997 1057107195 /nfs/dbraw/zinc/10/71/95/1057107195.db2.gz QZPWLFNEPOOMDC-UHFFFAOYSA-N 0 0 377.488 3.848 20 10 GHCDRN COCCc1ccnc(N[C@H](C)c2cc(Br)cc(OC)c2O)c1 ZINC000848550632 1057172882 /nfs/dbraw/zinc/17/28/82/1057172882.db2.gz SKKSYTLVPJPECJ-LLVKDONJSA-N 0 0 381.270 3.920 20 10 GHCDRN C[C@@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1cc(Br)cc(F)c1[O-] ZINC000848557851 1057177688 /nfs/dbraw/zinc/17/76/88/1057177688.db2.gz HVYFLGCNGZNOMN-QLJPJBMISA-N 0 0 393.256 3.898 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1cc(Br)cc(F)c1[O-] ZINC000848557843 1057177918 /nfs/dbraw/zinc/17/79/18/1057177918.db2.gz HVYFLGCNGZNOMN-HWPZZCPQSA-N 0 0 393.256 3.898 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)c3c[nH]nc3-c3ccc(F)cc3)CC2)cc1 ZINC001324620586 1057181167 /nfs/dbraw/zinc/18/11/67/1057181167.db2.gz IQUMPJCIFFUMHA-UHFFFAOYSA-N 0 0 394.450 3.577 20 10 GHCDRN CCN(CC)c1ccc(CNc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)cc1 ZINC000848563744 1057181412 /nfs/dbraw/zinc/18/14/12/1057181412.db2.gz YRQUNAWECUMZJA-QFIPXVFZSA-N 0 0 380.492 3.542 20 10 GHCDRN Cc1nc([C@H](C)NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)no1 ZINC001324917185 1057248084 /nfs/dbraw/zinc/24/80/84/1057248084.db2.gz XEZIVGFHATZLPE-OLZOCXBDSA-N 0 0 391.903 3.828 20 10 GHCDRN CC[C@H]1CCC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC001355707722 1057255444 /nfs/dbraw/zinc/25/54/44/1057255444.db2.gz JHWCWIJQVIPCHU-YOEHRIQHSA-N 0 0 384.442 3.985 20 10 GHCDRN CC[C@@H]1NC(=O)N(c2cccc(NCc3ccc(N4CCCC4)cc3)c2)C1=O ZINC001325010938 1057263019 /nfs/dbraw/zinc/26/30/19/1057263019.db2.gz HCFBQWIPNNWNCD-FQEVSTJZSA-N 0 0 378.476 3.734 20 10 GHCDRN CN(c1ccc(CNCc2ccc(S(C)(=O)=O)o2)cc1)C1CCCCC1 ZINC001325290158 1057307412 /nfs/dbraw/zinc/30/74/12/1057307412.db2.gz ULWRONADSQARRB-UHFFFAOYSA-N 0 0 376.522 3.742 20 10 GHCDRN Cc1cc(C(=O)N(CCC(N)=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 ZINC001325623041 1057346954 /nfs/dbraw/zinc/34/69/54/1057346954.db2.gz ZZMXCMNFGTYKQO-UHFFFAOYSA-N 0 0 379.435 3.755 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC[C@H](n3ccnn3)C2)c1 ZINC001325950204 1057386893 /nfs/dbraw/zinc/38/68/93/1057386893.db2.gz ZRWHLMDMUHTWPS-KRWDZBQOSA-N 0 0 383.883 3.816 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](c2cnn(C)c2)C(C)C)CCCC1 ZINC001439838923 1058319077 /nfs/dbraw/zinc/31/90/77/1058319077.db2.gz UQWLTVMXDLLNPN-QHCPKHFHSA-N 0 0 394.519 3.776 20 10 GHCDRN O=C(NCc1cccc(Cl)c1O)C(=O)Nc1nc(C2CCCCC2)cs1 ZINC001337951348 1058340886 /nfs/dbraw/zinc/34/08/86/1058340886.db2.gz MYSZYAFWWJKBGF-UHFFFAOYSA-N 0 0 393.896 3.805 20 10 GHCDRN O=C(/C=C\c1nccs1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC001338339796 1058520956 /nfs/dbraw/zinc/52/09/56/1058520956.db2.gz WKZUVKJOHFZLCM-WAYWQWQTSA-N 0 0 379.432 3.543 20 10 GHCDRN COc1ccc2[nH]cc(CC(=O)N(C)Cc3ccc(N4CCCC4)cc3)c2c1 ZINC001440712771 1058595514 /nfs/dbraw/zinc/59/55/14/1058595514.db2.gz HVHLGZKHXXMKNO-UHFFFAOYSA-N 0 0 377.488 3.978 20 10 GHCDRN C[C@@H]1CN(c2ccc(NC(=O)c3ccc(N=NC(N)=O)cc3)cc2)C[C@@H](C)O1 ZINC001442375118 1058953845 /nfs/dbraw/zinc/95/38/45/1058953845.db2.gz JVVCQKOISRGJIW-ZIAGYGMSSA-N 0 0 381.436 3.715 20 10 GHCDRN C[C@@H]1CN(c2ccc(NC(=O)c3ccc(N=NC(N)=O)cc3)cc2)C[C@H](C)O1 ZINC001442375116 1058953872 /nfs/dbraw/zinc/95/38/72/1058953872.db2.gz JVVCQKOISRGJIW-OKILXGFUSA-N 0 0 381.436 3.715 20 10 GHCDRN Cc1ccnc(Nc2cccc(C(=O)NCc3ccc4c(c3)CCCN4C)c2)n1 ZINC001442386285 1058954993 /nfs/dbraw/zinc/95/49/93/1058954993.db2.gz IMDHHYRFVKTGLZ-UHFFFAOYSA-N 0 0 387.487 3.841 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WTILVHVCXWZOMS-YADHBBJMSA-N 0 0 383.492 3.579 20 10 GHCDRN COc1ccccc1CN(OC)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001478840843 1079000024 /nfs/dbraw/zinc/00/00/24/1079000024.db2.gz JGCQWLCUGZRESK-QGZVFWFLSA-N 0 0 385.508 3.774 20 10 GHCDRN COc1cc2c(cc1OC)[C@H](NC(=O)NCc1cc(C)ccc1O)CCCC2 ZINC001471193923 1072961122 /nfs/dbraw/zinc/96/11/22/1072961122.db2.gz VAGLXKRHEHZGKT-GOSISDBHSA-N 0 0 384.476 3.985 20 10 GHCDRN CC[C@@H](C[C@H](C)O)NC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C ZINC001471294316 1073002135 /nfs/dbraw/zinc/00/21/35/1073002135.db2.gz AGJYBYWRKPOOQU-WFASDCNBSA-N 0 0 394.313 3.531 20 10 GHCDRN O=C(c1ccc(OC(F)F)c(Br)c1)N1Cc2cccc(O)c2C1 ZINC001471355719 1073036142 /nfs/dbraw/zinc/03/61/42/1073036142.db2.gz SEPKOMXMAZBYTE-UHFFFAOYSA-N 0 0 384.176 3.912 20 10 GHCDRN O=C(c1cc2c(cncc2Br)s1)N1Cc2cccc(O)c2C1 ZINC001471355165 1073036152 /nfs/dbraw/zinc/03/61/52/1073036152.db2.gz DFBJILBSPITPQY-UHFFFAOYSA-N 0 0 375.247 3.920 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N3CCc4cc(F)ccc4[C@H]3C)C2)cc1 ZINC001478956832 1079038696 /nfs/dbraw/zinc/03/86/96/1079038696.db2.gz JJICYBJTASRCEV-QAPCUYQASA-N 0 0 383.467 3.742 20 10 GHCDRN O=C(N[C@H](CO)c1ccccc1C(F)(F)F)c1cc2cc(O)c(O)cc2s1 ZINC001472031273 1073310934 /nfs/dbraw/zinc/31/09/34/1073310934.db2.gz NCPVFOSLRRDJFO-GFCCVEGCSA-N 0 0 397.374 3.795 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H](c4ncccn4)C3)c2C)cc1 ZINC001472054001 1073319018 /nfs/dbraw/zinc/31/90/18/1073319018.db2.gz QWBRLAFAIBWZRR-QGZVFWFLSA-N 0 0 376.460 3.522 20 10 GHCDRN O=C(NCc1c(O)ccc2ccccc21)[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001472085490 1073329034 /nfs/dbraw/zinc/32/90/34/1073329034.db2.gz UODQOHPJLWJGTD-CQSZACIVSA-N 0 0 389.377 3.955 20 10 GHCDRN CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC001472447549 1073493968 /nfs/dbraw/zinc/49/39/68/1073493968.db2.gz FHLMVOWAXAROLP-UEXGIBASSA-N 0 0 380.488 3.959 20 10 GHCDRN CN(Cc1ccccc1O)c1ncnc2c1c(Br)nn2C(C)(C)C ZINC001472734325 1073642531 /nfs/dbraw/zinc/64/25/31/1073642531.db2.gz VUWRQWAZFRISDY-UHFFFAOYSA-N 0 0 390.285 3.686 20 10 GHCDRN COC(=O)/C=C\c1ccc(N(Cc2ccccc2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC001472739075 1073643848 /nfs/dbraw/zinc/64/38/48/1073643848.db2.gz OOOYBPSVJRQPMD-LEVJEWGPSA-N 0 0 396.443 3.967 20 10 GHCDRN COC(=O)/C=C/c1ccc(N2CC[C@]3(CC(F)(F)C3(F)F)C2)c([N+](=O)[O-])c1 ZINC001472876133 1073707272 /nfs/dbraw/zinc/70/72/72/1073707272.db2.gz NHFDOZAJUDXDBD-UJAVWCLSSA-N 0 0 388.317 3.652 20 10 GHCDRN Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(F)c2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC001473048819 1073761450 /nfs/dbraw/zinc/76/14/50/1073761450.db2.gz BXQSYJPLXLUDBQ-UHFFFAOYSA-N 0 0 397.406 3.803 20 10 GHCDRN COc1ccc2c(c1)CCCCN2CC(=O)NCc1ccc(OC(F)F)cc1 ZINC001473288688 1073907856 /nfs/dbraw/zinc/90/78/56/1073907856.db2.gz DISZCGIDZUVVEV-UHFFFAOYSA-N 0 0 390.430 3.756 20 10 GHCDRN CC(=O)c1cc(Cl)cc(CN2CCN(c3cccc(F)c3F)CC2)c1O ZINC001473440542 1073963991 /nfs/dbraw/zinc/96/39/91/1073963991.db2.gz UPACGXPFOMXFEH-UHFFFAOYSA-N 0 0 380.822 3.849 20 10 GHCDRN CC[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001473785423 1074141344 /nfs/dbraw/zinc/14/13/44/1074141344.db2.gz CNACFHZQXXTYBR-MRXNPFEDSA-N 0 0 380.460 3.565 20 10 GHCDRN CN(C)c1ccc([C@H](CNC(=O)NC2(C)CCC(F)(F)CC2)[NH+](C)C)cc1 ZINC001479534171 1079223913 /nfs/dbraw/zinc/22/39/13/1079223913.db2.gz LLKSYXHQASRJKN-KRWDZBQOSA-N 0 0 382.499 3.623 20 10 GHCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]CCC(F)(F)F ZINC001474023843 1074239223 /nfs/dbraw/zinc/23/92/23/1074239223.db2.gz DOWAMJWDMUEZFA-UHFFFAOYSA-N 0 0 376.998 3.959 20 10 GHCDRN Cc1ncccc1C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC001474229565 1074301254 /nfs/dbraw/zinc/30/12/54/1074301254.db2.gz ZGPGJGSQPOSUQA-UHFFFAOYSA-N 0 0 386.087 3.910 20 10 GHCDRN O=S(=O)(c1ccc(NCc2cc(Cl)cc(F)c2O)cc1)N1CCCCC1 ZINC001474260866 1074314925 /nfs/dbraw/zinc/31/49/25/1074314925.db2.gz IGQDKLXIHKDGEN-UHFFFAOYSA-N 0 0 398.887 3.971 20 10 GHCDRN OCC[C@@H](NCc1ccc(N2CCCCC2)c(Br)c1)C(F)(F)F ZINC001474269321 1074318768 /nfs/dbraw/zinc/31/87/68/1074318768.db2.gz LLYYUHSIWMHPSM-OAHLLOKOSA-N 0 0 395.263 3.842 20 10 GHCDRN Cc1cc(Br)cc(CNc2cccc(C(=O)NC3CC3)c2)c1O ZINC001474383531 1074377986 /nfs/dbraw/zinc/37/79/86/1074377986.db2.gz CCJFCTDJDQBVPU-UHFFFAOYSA-N 0 0 375.266 3.967 20 10 GHCDRN C[C@]1([NH2+]Cc2cc(F)c(F)cc2[O-])CCN(C(=O)OCc2ccccc2)C1 ZINC001474487876 1074428252 /nfs/dbraw/zinc/42/82/52/1074428252.db2.gz WBWBDQCHTUNIIA-FQEVSTJZSA-N 0 0 376.403 3.561 20 10 GHCDRN COCCOc1ccc(NCc2cc(OC)ccc2O)cc1Br ZINC001474737802 1074539798 /nfs/dbraw/zinc/53/97/98/1074539798.db2.gz WRQTWJABYFKTOF-UHFFFAOYSA-N 0 0 382.254 3.801 20 10 GHCDRN COC(=O)c1c(CNc2nc3c(cccc3OC)n2C)c2cc(F)ccc2n1C ZINC001474764109 1074549418 /nfs/dbraw/zinc/54/94/18/1074549418.db2.gz RDCTYXRPNFMJMO-UHFFFAOYSA-N 0 0 396.422 3.611 20 10 GHCDRN COc1ccc(N2CCN(S(=O)(=O)c3c(C)ccc4ccccc43)CC2)cc1 ZINC001475111031 1074741185 /nfs/dbraw/zinc/74/11/85/1074741185.db2.gz HOAPBKCSGVQSHX-UHFFFAOYSA-N 0 0 396.512 3.668 20 10 GHCDRN CSc1cc2c(cc1NC(=O)NCc1cc(Cl)ccc1O)OCCO2 ZINC001476083517 1075081915 /nfs/dbraw/zinc/08/19/15/1075081915.db2.gz NPZYCHVZQCZJCM-UHFFFAOYSA-N 0 0 380.853 3.860 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1cncc(Br)c1 ZINC001476360947 1075133489 /nfs/dbraw/zinc/13/34/89/1075133489.db2.gz NWZHZDHYPOZSHQ-ZDUSSCGKSA-N 0 0 391.313 3.971 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](C)C2CCCC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737233409 598868657 /nfs/dbraw/zinc/86/86/57/598868657.db2.gz JFBZKLYONBJJGY-AWEZNQCLSA-N 0 0 378.480 3.583 20 10 GHCDRN CCc1csc(NC(=O)c2cc(C)n(-c3ccc(-c4nn[nH]n4)cc3)c2C)n1 ZINC000736700189 598243379 /nfs/dbraw/zinc/24/33/79/598243379.db2.gz RIGGJYSXXFWAPE-UHFFFAOYSA-N 0 0 393.476 3.545 20 10 GHCDRN Cc1cc(F)ccc1C=C1SC(=S)N(c2ccccc2-c2nn[nH]n2)C1=O ZINC000737263676 598288639 /nfs/dbraw/zinc/28/86/39/598288639.db2.gz NWYYXPKGWHYSBH-DHDCSXOGSA-N 0 0 397.460 3.720 20 10 GHCDRN S=C(NNc1cccc2ccccc21)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000738402146 598325071 /nfs/dbraw/zinc/32/50/71/598325071.db2.gz XPDCYJZLZHLFOC-UHFFFAOYSA-N 0 0 395.879 3.987 20 10 GHCDRN CC(C)c1ccc(N2C(=O)C(=Cc3ccc(-c4nn[nH]n4)o3)SC2=S)cc1 ZINC000820192355 599307806 /nfs/dbraw/zinc/30/78/06/599307806.db2.gz KYCHITAEBUNCJW-OQLLNIDSSA-N 0 0 397.485 3.989 20 10 GHCDRN Brc1ccc(NCc2ccc(N3CCCC3)cc2)c(-c2nn[nH]n2)c1 ZINC000735368082 599361369 /nfs/dbraw/zinc/36/13/69/599361369.db2.gz FCPOSWSQNIBKHO-UHFFFAOYSA-N 0 0 399.296 3.842 20 10 GHCDRN O=C([O-])CC1([NH2+]CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCOCC1 ZINC000833205135 602255993 /nfs/dbraw/zinc/25/59/93/602255993.db2.gz QGIJOTMURPAPAU-UHFFFAOYSA-N 0 0 396.447 3.654 20 10 GHCDRN C[C@@H]1CCCC[C@H]1N1C(=O)C(=Cc2ccc(-c3nn[nH]n3)s2)SC1=S ZINC000820705256 606393276 /nfs/dbraw/zinc/39/32/76/606393276.db2.gz SKCMZKFNEQHKPO-ANYQKZHNSA-N 0 0 391.547 3.708 20 10 GHCDRN Clc1ccc(C2=CCN(c3cc(-c4nn[nH]n4)nc4ccccc43)CC2)cn1 ZINC000826351642 608296391 /nfs/dbraw/zinc/29/63/91/608296391.db2.gz UTKARKHEIJGVLZ-UHFFFAOYSA-N 0 0 389.850 3.757 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCc4cc(O)ccc4C3)ccc21 ZINC000683510125 837420396 /nfs/dbraw/zinc/42/03/96/837420396.db2.gz NEVZFCJXNWYUIC-FQEVSTJZSA-N 0 0 392.499 3.897 20 10 GHCDRN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000180805190 837568992 /nfs/dbraw/zinc/56/89/92/837568992.db2.gz IERIOTWCMXVKRX-LJQANCHMSA-N 0 0 399.564 3.626 20 10 GHCDRN COc1ccc(-c2ncc(C(=O)N3CCOc4cc(N(C)C)ccc43)s2)cc1 ZINC000173200643 837596979 /nfs/dbraw/zinc/59/69/79/837596979.db2.gz MZXFNNXUCRYMLI-UHFFFAOYSA-N 0 0 395.484 3.924 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2ccnc2)cc1 ZINC000161729983 834426632 /nfs/dbraw/zinc/42/66/32/834426632.db2.gz WHMLPDUWPFHSDE-YADHBBJMSA-N 0 0 389.503 3.677 20 10 GHCDRN COc1cccc([C@H]2CN(C(=O)NCc3c(C)c4ccccc4n3C)CCO2)c1 ZINC000472288814 834427456 /nfs/dbraw/zinc/42/74/56/834427456.db2.gz XWSVQAWHENWJME-JOCHJYFZSA-N 0 0 393.487 3.778 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000052396864 834510279 /nfs/dbraw/zinc/51/02/79/834510279.db2.gz CYFQJJXZYCRHHD-UHFFFAOYSA-N 0 0 375.472 3.791 20 10 GHCDRN C[C@H](Nc1cnn(Cc2nnc3n2CCCC3)c1)c1cc2c(cc1O)CCCC2 ZINC000278336134 834717538 /nfs/dbraw/zinc/71/75/38/834717538.db2.gz CFHMDVVZSWSOHY-HNNXBMFYSA-N 0 0 392.507 3.617 20 10 GHCDRN O=[N+]([O-])c1c(NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc2ncccc21 ZINC000052457748 834718539 /nfs/dbraw/zinc/71/85/39/834718539.db2.gz PPDLSCHAVXOAPU-UHFFFAOYSA-N 0 0 396.422 3.855 20 10 GHCDRN COC(=O)c1sc(N[C@H](C)c2ccc(N3CCOCC3)cc2)nc1Cl ZINC000140402596 834897075 /nfs/dbraw/zinc/89/70/75/834897075.db2.gz OZSBBMKFDNKGQM-LLVKDONJSA-N 0 0 381.885 3.593 20 10 GHCDRN CN(C)c1ccc(CN(C)S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC000728578436 835116546 /nfs/dbraw/zinc/11/65/46/835116546.db2.gz CVPRNAVTHGKQLD-UHFFFAOYSA-N 0 0 390.402 3.731 20 10 GHCDRN O=C(/C=C/c1cnc2ccccc2n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000154145790 835215581 /nfs/dbraw/zinc/21/55/81/835215581.db2.gz UGGMSROFCLKYRM-CVTTXWKISA-N 0 0 389.455 3.556 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1CSc1nc[nH]n1 ZINC000154203108 835340174 /nfs/dbraw/zinc/34/01/74/835340174.db2.gz MPVSRBDVMCXUMO-UHFFFAOYSA-N 0 0 395.532 3.825 20 10 GHCDRN FC(F)Oc1ccc(N2CCC(N[C@H](c3ncc[nH]3)c3cccnc3)CC2)cc1 ZINC000366448181 844051270 /nfs/dbraw/zinc/05/12/70/844051270.db2.gz MLRJZGATMPFWJK-IBGZPJMESA-N 0 0 399.445 3.754 20 10 GHCDRN O=C(c1ccccc1)N1CCC[N@@H+](Cc2cccc(Br)c2[O-])CC1 ZINC000179482938 835740001 /nfs/dbraw/zinc/74/00/01/835740001.db2.gz RRVYBCMQLHAHQD-UHFFFAOYSA-N 0 0 389.293 3.503 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCO[C@@H](c4ccco4)C3)c2C)cc1 ZINC000176818858 835863457 /nfs/dbraw/zinc/86/34/57/835863457.db2.gz GBVYNTMYHOUGAJ-OAQYLSRUSA-N 0 0 380.444 3.909 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000471230691 836066899 /nfs/dbraw/zinc/06/68/99/836066899.db2.gz VSFUBTAKGANTIR-UHFFFAOYSA-N 0 0 376.460 3.708 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCCc1ccc2c(c1)CC(=O)N2 ZINC000471235590 836095554 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GHCDRN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000728949768 844233158 /nfs/dbraw/zinc/23/31/58/844233158.db2.gz YIDQHVYNIAEPPM-GJZGRUSLSA-N 0 0 399.491 3.946 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)NC[C@H](O)c3cccc(OC)c3)c2C)cc1 ZINC000177743715 837105315 /nfs/dbraw/zinc/10/53/15/837105315.db2.gz MQYHDESCRQYBGM-QFIPXVFZSA-N 0 0 394.471 3.575 20 10 GHCDRN O=C(CCc1nnc(-c2ccccc2)o1)NCc1ccc(N2CCCC2)cc1 ZINC000028329992 837115565 /nfs/dbraw/zinc/11/55/65/837115565.db2.gz WKTUXLSGYTVPOT-UHFFFAOYSA-N 0 0 376.460 3.586 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C(=O)OC)c3ccccc3)ccc21 ZINC000728637517 837184631 /nfs/dbraw/zinc/18/46/31/837184631.db2.gz MXBUSCJWAPDRPK-OAQYLSRUSA-N 0 0 395.455 3.976 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2cccc(NC(=O)CC(C)C)c2)c1 ZINC000728950303 844302285 /nfs/dbraw/zinc/30/22/85/844302285.db2.gz JTEVNOXMJPYXIO-OAHLLOKOSA-N 0 0 399.491 3.946 20 10 GHCDRN O=[N+]([O-])c1cc(Br)ccc1NCc1ccc(N2CCOCC2)cc1 ZINC000107819990 838294006 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O=C(C[C@@H]1CCOc2ccccc21)NCc1cccc(Br)c1O ZINC000765727449 860480306 /nfs/dbraw/zinc/48/03/06/860480306.db2.gz ABXAOAAPSNMUQS-LBPRGKRZSA-N 0 0 376.250 3.727 20 10 GHCDRN O=C(C[C@H]1CCOc2ccccc21)NCc1cccc(Br)c1O ZINC000765727448 860480555 /nfs/dbraw/zinc/48/05/55/860480555.db2.gz ABXAOAAPSNMUQS-GFCCVEGCSA-N 0 0 376.250 3.727 20 10 GHCDRN C[C@@H](CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)C1CC1 ZINC000920034131 881543937 /nfs/dbraw/zinc/54/39/37/881543937.db2.gz PJGVLJDKSOIELD-XBUHWIKASA-N 0 0 394.587 3.892 20 10 GHCDRN COC(=O)CC[C@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)c1ccccc1 ZINC000729979288 860481766 /nfs/dbraw/zinc/48/17/66/860481766.db2.gz DKCZJKARHWLJFO-FQEVSTJZSA-N 0 0 391.471 3.913 20 10 GHCDRN CCCOc1ccc(OCC(=O)NCc2cccc(Br)c2O)cc1 ZINC000765727925 860483911 /nfs/dbraw/zinc/48/39/11/860483911.db2.gz RGGUPGFWSMZJFN-UHFFFAOYSA-N 0 0 394.265 3.639 20 10 GHCDRN Cc1cnn(-c2ccc(C(=O)NCc3cccc(Br)c3O)cc2)c1 ZINC000765726560 860492466 /nfs/dbraw/zinc/49/24/66/860492466.db2.gz HTYVMJMHWJVDLS-UHFFFAOYSA-N 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COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CCCOc4ccc(F)cc43)C2)cc1 ZINC000852110125 878078757 /nfs/dbraw/zinc/07/87/57/878078757.db2.gz KTFUEGJZNLUGQQ-OXQOHEQNSA-N 0 0 399.466 3.626 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)NCc3cc(F)ccc3SC)C2)cc1 ZINC000852163646 878113612 /nfs/dbraw/zinc/11/36/12/878113612.db2.gz ITPWOCNDJSVYAG-INIZCTEOSA-N 0 0 389.496 3.634 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)c3ccc4ncsc4c3)C2)cc1 ZINC000852263561 878183411 /nfs/dbraw/zinc/18/34/11/878183411.db2.gz IJSXKRUZZGLINQ-GDBMZVCRSA-N 0 0 396.516 3.944 20 10 GHCDRN COCc1csc(CNC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000852385762 878293851 /nfs/dbraw/zinc/29/38/51/878293851.db2.gz TXZWQCBCQKXJGH-OAHLLOKOSA-N 0 0 375.538 3.699 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)NC3CCC4(CC4(F)F)CC3)C2)cc1 ZINC000852450033 878330911 /nfs/dbraw/zinc/33/09/11/878330911.db2.gz FXAGJHDUXQMNES-XAUUPUKJSA-N 0 0 379.451 3.541 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H]3c3csc(C)n3)C2)cc1 ZINC000852451282 878331464 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NC(=O)C[C@H](NC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CCOCC1 ZINC000761612015 881076012 /nfs/dbraw/zinc/07/60/12/881076012.db2.gz ASNKKKBWQNEAJR-IBGZPJMESA-N 0 0 395.463 3.894 20 10 GHCDRN CC[C@@H](C)n1ncc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1C ZINC000792480477 881135034 /nfs/dbraw/zinc/13/50/34/881135034.db2.gz BYBJTVFUEAEHQB-HZPDHXFCSA-N 0 0 385.512 3.882 20 10 GHCDRN CC(C)NC(=O)Nc1ccccc1C(=O)NCCCSc1nccs1 ZINC000114139982 881152564 /nfs/dbraw/zinc/15/25/64/881152564.db2.gz ZLBLMSQEAXAQAL-UHFFFAOYSA-N 0 0 378.523 3.585 20 10 GHCDRN Cc1cc(C(=O)NCc2cccc(C(N)=O)c2)c(C)n1-c1cccc(Cl)c1 ZINC000919978168 881287673 /nfs/dbraw/zinc/28/76/73/881287673.db2.gz CLQUWYCSGWMQBX-UHFFFAOYSA-N 0 0 381.863 3.776 20 10 GHCDRN CN(C)c1ccc(CNC(=O)CCCc2nc(-c3cccs3)no2)cc1F ZINC000116151230 883158119 /nfs/dbraw/zinc/15/81/19/883158119.db2.gz KUWHQABBYRDSAN-UHFFFAOYSA-N 0 0 388.468 3.642 20 10 GHCDRN Cc1ccc(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c(O)c1O ZINC000182449779 883203158 /nfs/dbraw/zinc/20/31/58/883203158.db2.gz RMKHLYLDPYSAJE-UHFFFAOYSA-N 0 0 393.361 3.559 20 10 GHCDRN CC[C@@H]([NH2+]C(c1ccnn1C)c1ccnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000858584446 883213868 /nfs/dbraw/zinc/21/38/68/883213868.db2.gz SUECQLNVQIYNKI-CYBMUJFWSA-N 0 0 394.306 3.996 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC001129818279 883228478 /nfs/dbraw/zinc/22/84/78/883228478.db2.gz ABPGDDQPMXHFII-DQLDELGASA-N 0 0 394.515 3.683 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc(NC(=O)C2CC2)s1 ZINC001129819078 883230008 /nfs/dbraw/zinc/23/00/08/883230008.db2.gz GMZXTKRFVNRPDK-CQSZACIVSA-N 0 0 385.533 3.832 20 10 GHCDRN CCC[C@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)OCC ZINC000858681169 883279494 /nfs/dbraw/zinc/27/94/94/883279494.db2.gz DQVHBHBXTVWJEO-GOSISDBHSA-N 0 0 399.482 3.761 20 10 GHCDRN CC(C)[C@H]1CCC[C@@H](NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000804726201 883310713 /nfs/dbraw/zinc/31/07/13/883310713.db2.gz HDFHIGKMQYRFJE-PKOBYXMFSA-N 0 0 398.503 3.845 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)[C@@H]1CCCc2c(O)cccc21 ZINC000804735309 883316623 /nfs/dbraw/zinc/31/66/23/883316623.db2.gz ULPOKPSJLIZQOC-OAHLLOKOSA-N 0 0 376.250 3.597 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)c1cccc(Nc2ncccn2)c1 ZINC000804735110 883317351 /nfs/dbraw/zinc/31/73/51/883317351.db2.gz LODDITAIZAALQV-UHFFFAOYSA-N 0 0 399.248 3.618 20 10 GHCDRN COc1ccccc1[C@@H](C)CC(=O)NCc1cc(Br)ccc1O ZINC000804735143 883317983 /nfs/dbraw/zinc/31/79/83/883317983.db2.gz MSISKIBUUXVMJK-LBPRGKRZSA-N 0 0 378.266 3.973 20 10 GHCDRN COc1cccc([C@H](C)CC(=O)NCc2cc(Br)ccc2O)c1 ZINC000804736078 883318981 /nfs/dbraw/zinc/31/89/81/883318981.db2.gz LVPZKQMNKFMADS-GFCCVEGCSA-N 0 0 378.266 3.973 20 10 GHCDRN CCc1ccc(C(=O)NCc2cc(Br)ccc2O)cc1[N+](=O)[O-] ZINC000804739380 883322752 /nfs/dbraw/zinc/32/27/52/883322752.db2.gz YDXPAYFHZIFPTH-UHFFFAOYSA-N 0 0 379.210 3.555 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)Nc2c3c(nn2C)CCC3)ccc1C ZINC000858750742 883326231 /nfs/dbraw/zinc/32/62/31/883326231.db2.gz NQIWOMVILFAXHQ-UHFFFAOYSA-N 0 0 376.460 3.690 20 10 GHCDRN C[C@H](NC(=O)c1ccc(-c2csnn2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000858785437 883356274 /nfs/dbraw/zinc/35/62/74/883356274.db2.gz GWKSCYMQAHKDLT-HNNXBMFYSA-N 0 0 394.500 3.533 20 10 GHCDRN COc1ccccc1[C@@H](NCc1cc(Cl)cc(OC)c1O)c1noc(C)n1 ZINC000184708577 883379529 /nfs/dbraw/zinc/37/95/29/883379529.db2.gz CGGFINDJXDUYBL-QGZVFWFLSA-N 0 0 389.839 3.633 20 10 GHCDRN O=[N+]([O-])c1cc2c(ncnc2NCc2cc(Br)ccc2O)s1 ZINC000804827215 883389676 /nfs/dbraw/zinc/38/96/76/883389676.db2.gz MUQUAGCFRMEEPQ-UHFFFAOYSA-N 0 0 381.211 3.680 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cccc(C(=O)N3CCCC3)c2C)c1 ZINC000729039793 883392095 /nfs/dbraw/zinc/39/20/95/883392095.db2.gz UYUJLVCLJUMOPF-HNNXBMFYSA-N 0 0 397.475 3.828 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cnn(-c2ccccc2F)c1 ZINC001129973249 883395962 /nfs/dbraw/zinc/39/59/62/883395962.db2.gz FAVABIKAJGXLDE-INIZCTEOSA-N 0 0 380.467 3.747 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cncc(Br)c1 ZINC001129974778 883398512 /nfs/dbraw/zinc/39/85/12/883398512.db2.gz SCPHVCXEQPGAKO-CYBMUJFWSA-N 0 0 376.298 3.580 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccn(-c2cccc(F)c2)n1 ZINC001129975358 883399769 /nfs/dbraw/zinc/39/97/69/883399769.db2.gz YQKKMVCXEDOZOT-MRXNPFEDSA-N 0 0 380.467 3.747 20 10 GHCDRN Cc1cc(CNC(=O)N2CCO[C@@]3(CCSC3)C2)c(C)n1-c1ccccc1 ZINC000858907358 883446885 /nfs/dbraw/zinc/44/68/85/883446885.db2.gz WQKCCAKSUPMRHV-NRFANRHFSA-N 0 0 385.533 3.512 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC(n3ccnc3)CC2)cc1 ZINC000858933282 883473838 /nfs/dbraw/zinc/47/38/38/883473838.db2.gz LVUWOIJIWDAWKF-UHFFFAOYSA-N 0 0 390.487 3.509 20 10 GHCDRN Cc1cc2cc(CNC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)ccc2[nH]1 ZINC000804989041 883506869 /nfs/dbraw/zinc/50/68/69/883506869.db2.gz KZAGUAJUKRTSNK-KRWDZBQOSA-N 0 0 392.503 3.873 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)Nc3cc(F)cc(F)c3OC)CC2)cc1 ZINC000761685268 883507833 /nfs/dbraw/zinc/50/78/33/883507833.db2.gz DNHHXCYKCMKKPK-UHFFFAOYSA-N 0 0 391.418 3.773 20 10 GHCDRN Cc1cc(C(=O)NC[C@@H](O)c2ccc(OC(C)C)cc2)c(C)n1-c1ccccn1 ZINC000116465533 883511758 /nfs/dbraw/zinc/51/17/58/883511758.db2.gz SFLAJLZOONDRAH-OAQYLSRUSA-N 0 0 393.487 3.740 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCCC[C@@H]2C2OCCO2)ccc1C ZINC000859060939 883565098 /nfs/dbraw/zinc/56/50/98/883565098.db2.gz DHOYZLCXSDXPAQ-HXUWFJFHSA-N 0 0 396.487 3.583 20 10 GHCDRN COc1cccc(CNC(=O)c2ccccc2OCc2csc(C)n2)c1O ZINC000729859441 883577298 /nfs/dbraw/zinc/57/72/98/883577298.db2.gz PGDAMQUZDDKSPS-UHFFFAOYSA-N 0 0 384.457 3.675 20 10 GHCDRN O=Cc1ccc(F)c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 ZINC000859098585 883587594 /nfs/dbraw/zinc/58/75/94/883587594.db2.gz MZPRVAWGRWRCSI-UHFFFAOYSA-N 0 0 392.377 3.638 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)NC[C@@H]1CCOc2ccccc21 ZINC000805093059 883604243 /nfs/dbraw/zinc/60/42/43/883604243.db2.gz AOSBKBBCNMQTBK-LBPRGKRZSA-N 0 0 391.265 3.520 20 10 GHCDRN O=C(NCCOC1CCCCCC1)NCc1cc(Br)ccc1O ZINC000805132215 883613663 /nfs/dbraw/zinc/61/36/63/883613663.db2.gz POKUKBPMHCGSMO-UHFFFAOYSA-N 0 0 385.302 3.693 20 10 GHCDRN Cc1ccc(N2CCCC2)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000116630917 883680054 /nfs/dbraw/zinc/68/00/54/883680054.db2.gz GQQJYGIFOVXKKO-UHFFFAOYSA-N 0 0 397.494 3.501 20 10 GHCDRN CC1(C)CO[C@@H](CC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC001126659430 883759468 /nfs/dbraw/zinc/75/94/68/883759468.db2.gz YLFGWRNSTSLHRT-PBHICJAKSA-N 0 0 382.451 3.578 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCCCCn2ccnc2)ccc1C ZINC000859361045 883774753 /nfs/dbraw/zinc/77/47/53/883774753.db2.gz COUWGKBESCGGGP-UHFFFAOYSA-N 0 0 378.476 3.622 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC(C)(C)c2nccs2)cc1 ZINC000859434764 883811817 /nfs/dbraw/zinc/81/18/17/883811817.db2.gz LUFXYRRHDYMRON-UHFFFAOYSA-N 0 0 381.501 3.957 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCCC[C@H]2c2noc(C)n2)c1 ZINC000859484232 883843418 /nfs/dbraw/zinc/84/34/18/883843418.db2.gz ALCVLIJZXVSVSY-FQEVSTJZSA-N 0 0 392.459 3.965 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc2ncccc2c1 ZINC000747250557 883881199 /nfs/dbraw/zinc/88/11/99/883881199.db2.gz NVSFSTUNZFVKPM-UHFFFAOYSA-N 0 0 383.517 3.900 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(F)ccc1OC ZINC000761753295 884049132 /nfs/dbraw/zinc/04/91/32/884049132.db2.gz NPQBIXZKGQWGMC-UHFFFAOYSA-N 0 0 382.229 3.965 20 10 GHCDRN COCCCOc1ccc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000805758654 884087289 /nfs/dbraw/zinc/08/72/89/884087289.db2.gz LGNBUEXMQUZNQN-UHFFFAOYSA-N 0 0 385.508 3.510 20 10 GHCDRN CCO[C@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)C(C)C ZINC000760471416 884125903 /nfs/dbraw/zinc/12/59/03/884125903.db2.gz ODCUZXXRGIETPZ-LEWJYISDSA-N 0 0 376.541 3.711 20 10 GHCDRN CC(=O)NCC[C@@H]1CCCN(CC(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000805822543 884136048 /nfs/dbraw/zinc/13/60/48/884136048.db2.gz PABBEQGDUFRIEK-FQEVSTJZSA-N 0 0 381.520 3.515 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@@H]2CC(C)(C)CC[C@H]2O)ccc1C ZINC001170490196 884160711 /nfs/dbraw/zinc/16/07/11/884160711.db2.gz XQQVQRIKFGNBQS-TZIWHRDSSA-N 0 0 382.504 3.884 20 10 GHCDRN Cc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000805882363 884204570 /nfs/dbraw/zinc/20/45/70/884204570.db2.gz VTYOHDKZXOJSIL-JOCHJYFZSA-N 0 0 395.547 3.923 20 10 GHCDRN COc1cccc(-c2n[nH]cc2C=C2SC(=S)N(c3cccnc3)C2=O)c1 ZINC000918712327 884215773 /nfs/dbraw/zinc/21/57/73/884215773.db2.gz JOACIOSSQGKDCD-SXGWCWSVSA-N 0 0 394.481 3.886 20 10 GHCDRN Cc1cc(C(=O)CN(C)C[C@H]2C[C@@H](O)C2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000859967150 884219173 /nfs/dbraw/zinc/21/91/73/884219173.db2.gz GPOAQAMMAREYKG-WOVMCDHWSA-N 0 0 392.446 3.581 20 10 GHCDRN Cc1cc(C(=O)O[C@@H](C)C(=O)NCc2ccccn2)c(C)n1-c1cccc(C)c1 ZINC000805953232 884219939 /nfs/dbraw/zinc/21/99/39/884219939.db2.gz MGGHHLWZRZERQT-SFHVURJKSA-N 0 0 391.471 3.659 20 10 GHCDRN CCCc1c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cnn1-c1ccc(C)cc1 ZINC000760493512 884232615 /nfs/dbraw/zinc/23/26/15/884232615.db2.gz YRUZOQVKMSVLLF-MRXNPFEDSA-N 0 0 393.487 3.905 20 10 GHCDRN CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2c(F)cc(F)cc2F)cc1 ZINC000918745409 884268434 /nfs/dbraw/zinc/26/84/34/884268434.db2.gz FUCWMOWCTFAWDA-UHFFFAOYSA-N 0 0 384.423 3.523 20 10 GHCDRN CCN(Cc1ccccc1)C(=O)COC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000914613806 884350860 /nfs/dbraw/zinc/35/08/60/884350860.db2.gz KTNSUGRETIFWPJ-UHFFFAOYSA-N 0 0 391.471 3.695 20 10 GHCDRN Cc1cc(C(=O)O[C@H](C)C(=O)N(C)c2ccccc2)c(C)n1-c1ccccn1 ZINC000914613730 884351752 /nfs/dbraw/zinc/35/17/52/884351752.db2.gz JOVBSIFAJGTZMM-QGZVFWFLSA-N 0 0 377.444 3.697 20 10 GHCDRN Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@H+](Cc3cc(F)c(F)cc3[O-])C[C@H]21 ZINC001142512664 884369304 /nfs/dbraw/zinc/36/93/04/884369304.db2.gz HNQOQBWYFGTVAH-CJNGLKHVSA-N 0 0 399.416 3.982 20 10 GHCDRN CC[C@H]([NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O)c1cccc(Cl)c1[O-] ZINC000806129805 884387857 /nfs/dbraw/zinc/38/78/57/884387857.db2.gz KBCHMHBMQNWRTE-INIZCTEOSA-N 0 0 393.915 3.731 20 10 GHCDRN CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCCOC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806155363 884412960 /nfs/dbraw/zinc/41/29/60/884412960.db2.gz PUSJZLMLQFLJCX-CVEARBPZSA-N 0 0 391.339 3.917 20 10 GHCDRN CC[C@@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1cccc(Cl)c1[O-] ZINC000806183149 884423957 /nfs/dbraw/zinc/42/39/57/884423957.db2.gz NQMQZVGXMRPWOC-KBXCAEBGSA-N 0 0 394.924 3.550 20 10 GHCDRN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(C(F)F)o1 ZINC000860242912 884475879 /nfs/dbraw/zinc/47/58/79/884475879.db2.gz WSWHOFKLIODNFE-ZDUSSCGKSA-N 0 0 384.810 3.971 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000860245315 884478863 /nfs/dbraw/zinc/47/88/63/884478863.db2.gz BAYMOIIPNGMUNT-XMSQKQJNSA-N 0 0 398.528 3.691 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cc4cc(O)c(O)cc4s3)C2)cc1 ZINC000898008105 884538886 /nfs/dbraw/zinc/53/88/86/884538886.db2.gz VMXYVECDXRVTJQ-CYBMUJFWSA-N 0 0 398.484 3.577 20 10 GHCDRN CC[C@H](C)n1c(=O)[nH]c(C)c(NCc2cc(Cl)c3cccnc3c2O)c1=O ZINC001168524262 884561451 /nfs/dbraw/zinc/56/14/51/884561451.db2.gz 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20 10 GHCDRN CC(=O)c1cc(NC(=O)NCc2cccc(Br)c2O)ccc1F ZINC000806578537 884795233 /nfs/dbraw/zinc/79/52/33/884795233.db2.gz HRAWEGASYDHWDK-UHFFFAOYSA-N 0 0 381.201 3.818 20 10 GHCDRN O=C(N[C@@H]1CCCC1(F)F)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000806684678 884914225 /nfs/dbraw/zinc/91/42/25/884914225.db2.gz KAMXBTCTURPHGO-OAHLLOKOSA-N 0 0 389.393 3.744 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)c1 ZINC000860722580 884943796 /nfs/dbraw/zinc/94/37/96/884943796.db2.gz BFDNHKWXSJYJFN-UHFFFAOYSA-N 0 0 398.854 3.529 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCCc2ccc3c[nH]nc3c2)cc1F ZINC000806771189 884964167 /nfs/dbraw/zinc/96/41/67/884964167.db2.gz ANUUIHNZPXUIAM-UHFFFAOYSA-N 0 0 383.471 3.590 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@H](C(F)(F)F)OC[C@@H]2C)cc1F ZINC000806772707 884965926 /nfs/dbraw/zinc/96/59/26/884965926.db2.gz SZLUAAXSCOCDGM-BLLLJJGKSA-N 0 0 391.409 3.533 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)c1 ZINC000806791385 884989491 /nfs/dbraw/zinc/98/94/91/884989491.db2.gz DNSNWKCXSNWAGL-SNVBAGLBSA-N 0 0 389.358 3.879 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H](CCO)c1ccc(Cl)cc1 ZINC000806846142 885021829 /nfs/dbraw/zinc/02/18/29/885021829.db2.gz DQBYLULEFOUAJF-HXUWFJFHSA-N 0 0 385.895 3.639 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000806821884 885035910 /nfs/dbraw/zinc/03/59/10/885035910.db2.gz SLNSXCKRGOKRLY-ZLNRFVROSA-N 0 0 393.531 3.775 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)Cc3cccc4cnccc43)C2)cc1 ZINC000860841805 885042355 /nfs/dbraw/zinc/04/23/55/885042355.db2.gz FBANAAHEUGTETH-KRWDZBQOSA-N 0 0 376.456 3.856 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000761974914 885061759 /nfs/dbraw/zinc/06/17/59/885061759.db2.gz ZFRDLWKQQZQXAF-SZNDQCEHSA-N 0 0 392.496 3.615 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)C1 ZINC000860870456 885068513 /nfs/dbraw/zinc/06/85/13/885068513.db2.gz QDKYNMSVLMEHHO-HUUCEWRRSA-N 0 0 382.460 3.707 20 10 GHCDRN CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000761972927 885079004 /nfs/dbraw/zinc/07/90/04/885079004.db2.gz MJCUGVBUKLYXSE-CQSZACIVSA-N 0 0 394.512 3.909 20 10 GHCDRN C[C@@H](C[C@H](O)c1ccco1)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000153395518 885088462 /nfs/dbraw/zinc/08/84/62/885088462.db2.gz GAEFIFVTLGWOHA-PXNSSMCTSA-N 0 0 385.508 3.827 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCSC2(CCOCC2)C1 ZINC000860910433 885093462 /nfs/dbraw/zinc/09/34/62/885093462.db2.gz PWWCKTKXMZKDQI-UHFFFAOYSA-N 0 0 398.528 3.645 20 10 GHCDRN C[C@@]12CCN(C(=O)NCCCSc3nccs3)C[C@@H]1C2(Cl)Cl ZINC000806958999 885115246 /nfs/dbraw/zinc/11/52/46/885115246.db2.gz OVVIJNPRCGWOGY-GXFFZTMASA-N 0 0 380.366 3.851 20 10 GHCDRN COC[C@H](C)n1ccc(NC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)n1 ZINC000861004310 885156615 /nfs/dbraw/zinc/15/66/15/885156615.db2.gz ASFUPZVHDZOUST-HNNXBMFYSA-N 0 0 380.448 3.563 20 10 GHCDRN Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cc(F)ccc2F)c(C)n1-c1ccccn1 ZINC000914907865 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393.531 3.505 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000807099243 885241226 /nfs/dbraw/zinc/24/12/26/885241226.db2.gz OTCZMUKOEUWLQR-HNNXBMFYSA-N 0 0 387.911 3.550 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2cnn(Cc3ccccn3)c2)cc1F ZINC000174877582 885259428 /nfs/dbraw/zinc/25/94/28/885259428.db2.gz LVNYJRSUICVZRD-UHFFFAOYSA-N 0 0 396.470 3.633 20 10 GHCDRN CCCNC(=O)OC[C@H]1CCCCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807141055 885260735 /nfs/dbraw/zinc/26/07/35/885260735.db2.gz POTWBGJLQZWHMU-VQIMIIECSA-N 0 0 390.528 3.514 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC([C@H]2CCCO2)CC1 ZINC000861198683 885314870 /nfs/dbraw/zinc/31/48/70/885314870.db2.gz GIUCYYIDVJRBQW-JOCHJYFZSA-N 0 0 380.488 3.938 20 10 GHCDRN CC(C)(C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000807290901 885345135 /nfs/dbraw/zinc/34/51/35/885345135.db2.gz OUCDAHVCHXWBRV-VQTJNVASSA-N 0 0 397.563 3.790 20 10 GHCDRN COc1ccc(N2CCN(C(=O)NCc3ccc4[nH]c(C)cc4c3)CC2)cc1F ZINC000807561383 885561915 /nfs/dbraw/zinc/56/19/15/885561915.db2.gz LXLCHRUMKSGQIQ-UHFFFAOYSA-N 0 0 396.466 3.656 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000807652400 885610967 /nfs/dbraw/zinc/61/09/67/885610967.db2.gz SIGFKWGXUXTNHE-PCCBWWKXSA-N 0 0 397.563 3.720 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC(C3CCOCC3)C2)ccc1C ZINC000861545414 885626045 /nfs/dbraw/zinc/62/60/45/885626045.db2.gz XEZYWIUGDQBJPA-UHFFFAOYSA-N 0 0 380.488 3.714 20 10 GHCDRN Cc1cccc([C@H]2CCCN2C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000807677205 885626380 /nfs/dbraw/zinc/62/63/80/885626380.db2.gz MRGJBJBXISZQTR-DYESRHJHSA-N 0 0 379.504 3.602 20 10 GHCDRN C[C@H](NC(=O)C(=O)N1CC(C)(C)[C@H]1c1ccccc1)c1ccc(N(C)C)cc1 ZINC000807677190 885626498 /nfs/dbraw/zinc/62/64/98/885626498.db2.gz MNTNBVPVTPJQCO-OXJNMPFZSA-N 0 0 379.504 3.540 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2ccnc(C)n2)c(C)n1-c1cc(C)cc(C)c1 ZINC000919466679 885733198 /nfs/dbraw/zinc/73/31/98/885733198.db2.gz CUEYAXFVPBVCDL-UHFFFAOYSA-N 0 0 377.444 3.849 20 10 GHCDRN C[C@@H]1CCCCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2O)C1 ZINC001184072380 912975581 /nfs/dbraw/zinc/97/55/81/912975581.db2.gz ISCIXQZJWKIAEO-NVXWUHKLSA-N 0 0 376.497 3.997 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H](CC(=O)NC1(C(F)(F)F)CC1)c1ccccc1O ZINC001184075826 912977208 /nfs/dbraw/zinc/97/72/08/912977208.db2.gz WOZCYHFYCKUZFK-GFCCVEGCSA-N 0 0 388.386 3.559 20 10 GHCDRN CCCOc1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1C ZINC000861760507 885833323 /nfs/dbraw/zinc/83/33/23/885833323.db2.gz HETFMBZHTDOBSU-UHFFFAOYSA-N 0 0 396.487 3.623 20 10 GHCDRN Cc1cc(C(=O)COC(=O)CCn2cc(Cl)cn2)c(C)n1-c1ccccc1 ZINC000919572820 885948020 /nfs/dbraw/zinc/94/80/20/885948020.db2.gz YWVJWMOKIDXIOO-UHFFFAOYSA-N 0 0 385.851 3.760 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC[C@H](O)CC(C)(C)C2)ccc1C ZINC000861920860 885991651 /nfs/dbraw/zinc/99/16/51/885991651.db2.gz SNRWSPQFHFEDPC-FQEVSTJZSA-N 0 0 382.504 3.838 20 10 GHCDRN CCOc1ccc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1OC ZINC000915200655 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GHCDRN CC(C)(C)Oc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)nc1 ZINC000815860742 894275009 /nfs/dbraw/zinc/27/50/09/894275009.db2.gz YLSZZYDQEKRAJS-GOSISDBHSA-N 0 0 384.476 3.786 20 10 GHCDRN CCc1sc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1Br ZINC000816028828 894406081 /nfs/dbraw/zinc/40/60/81/894406081.db2.gz OVJQASMKLSCLPE-VIFPVBQESA-N 0 0 384.295 3.845 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NC[C@@H](c2ccco2)N(C)C)ccc1C ZINC001135476599 894673395 /nfs/dbraw/zinc/67/33/95/894673395.db2.gz UATUMMPIUNWOFI-NRFANRHFSA-N 0 0 393.487 3.841 20 10 GHCDRN C[C@@H]1CCCN(C(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)C1 ZINC001135510526 894740569 /nfs/dbraw/zinc/74/05/69/894740569.db2.gz QWLAGYXYDGTUEB-YYTPVVGHSA-N 0 0 392.521 3.676 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778391008 894854708 /nfs/dbraw/zinc/85/47/08/894854708.db2.gz TWRHZAHUCQQSJP-UHFFFAOYSA-N 0 0 376.359 3.587 20 10 GHCDRN CC(C)(O)C[N@@H+]1CCc2c(cccc2NCc2cc(Cl)c(F)cc2O)C1 ZINC000816567528 894948657 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O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000127996018 895276617 /nfs/dbraw/zinc/27/66/17/895276617.db2.gz QQZMCAZDYNTSRB-FQEVSTJZSA-N 0 0 391.471 3.838 20 10 GHCDRN CC(=O)c1nc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)sc1C ZINC000879773460 895281669 /nfs/dbraw/zinc/28/16/69/895281669.db2.gz KGJBCCGKLNEJKH-OAHLLOKOSA-N 0 0 389.477 3.573 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CC(C)(C)NC(=O)OC(C)(C)C ZINC001135800728 895291415 /nfs/dbraw/zinc/29/14/15/895291415.db2.gz NRANUUCCLJHGGE-UHFFFAOYSA-N 0 0 389.540 3.939 20 10 GHCDRN Cn1cccc1C(=O)C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000805653114 895433762 /nfs/dbraw/zinc/43/37/62/895433762.db2.gz MRYCTWFFULEVDG-UHFFFAOYSA-N 0 0 390.399 3.805 20 10 GHCDRN O=C(c1cccc(O)c1O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000817763455 895894434 /nfs/dbraw/zinc/89/44/34/895894434.db2.gz ZTRMLVLEFHANKO-ZDUSSCGKSA-N 0 0 376.250 3.565 20 10 GHCDRN O=C(c1cccc(O)c1O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000817763454 895894666 /nfs/dbraw/zinc/89/46/66/895894666.db2.gz ZTRMLVLEFHANKO-CYBMUJFWSA-N 0 0 376.250 3.565 20 10 GHCDRN C[C@H](NC(=O)Nc1cccc2c1OCCCO2)c1ccc(N2CCOCC2)cc1 ZINC000880838653 895923717 /nfs/dbraw/zinc/92/37/17/895923717.db2.gz POUHBINZMCXAQF-INIZCTEOSA-N 0 0 397.475 3.567 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1nnc([C@@H]2CCCO2)s1 ZINC000880882427 895960531 /nfs/dbraw/zinc/96/05/31/895960531.db2.gz DDLUADOCVADRKQ-BBRMVZONSA-N 0 0 389.525 3.517 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)Nc2nnc([C@H]3CCCO3)s2)C2CC2)cc1 ZINC000880886705 895965754 /nfs/dbraw/zinc/96/57/54/895965754.db2.gz SDZVKEBYQYOZBC-MRXNPFEDSA-N 0 0 387.509 3.652 20 10 GHCDRN CCN(Cc1ncc(C2OCCO2)s1)Cc1cc(Br)ccc1O ZINC000289072578 914023248 /nfs/dbraw/zinc/02/32/48/914023248.db2.gz CQRIYEXDYDAXKC-UHFFFAOYSA-N 0 0 399.310 3.679 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1cccc2c1NC(=O)CO2 ZINC000880931657 896009381 /nfs/dbraw/zinc/00/93/81/896009381.db2.gz MHIAKMCNDQFQDH-UHFFFAOYSA-N 0 0 394.475 3.672 20 10 GHCDRN CC1(C)CO[C@@H](CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000888857869 896057745 /nfs/dbraw/zinc/05/77/45/896057745.db2.gz INEBASMLKVVBGC-KRWDZBQOSA-N 0 0 382.451 3.578 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccnc(SC(C)(C)C)c3)CC2)cc1 ZINC000778523546 896163696 /nfs/dbraw/zinc/16/36/96/896163696.db2.gz CPMYYJLWAFOREQ-UHFFFAOYSA-N 0 0 385.533 3.943 20 10 GHCDRN COc1ccc(CN[C@@H](c2cccc(-c3nn[nH]n3)c2)C(F)(F)F)cc1C ZINC000826202083 896215706 /nfs/dbraw/zinc/21/57/06/896215706.db2.gz NRFXPLLXSMJHCM-INIZCTEOSA-N 0 0 377.370 3.577 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000818877666 896275066 /nfs/dbraw/zinc/27/50/66/896275066.db2.gz WLRJDKQVXHSYOP-RQOWECAXSA-N 0 0 395.242 3.563 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000302887318 914056076 /nfs/dbraw/zinc/05/60/76/914056076.db2.gz FNFNRGZYXKDUJI-GOSISDBHSA-N 0 0 389.540 3.748 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=S)Nc3ccc(OC)c(F)c3)C2)cc1 ZINC000819022031 896354981 /nfs/dbraw/zinc/35/49/81/896354981.db2.gz ZNQASKHWZPHLKG-CQSZACIVSA-N 0 0 389.496 3.656 20 10 GHCDRN C[C@@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)c1ccc(C(F)(F)F)cc1 ZINC000819170619 896444752 /nfs/dbraw/zinc/44/47/52/896444752.db2.gz JZYRMRIQXBSPBC-ZDUSSCGKSA-N 0 0 392.377 3.979 20 10 GHCDRN COc1ccc(N2CCN(c3ccc([S@@](=N)(=O)C(F)(F)F)cc3)CC2)cc1 ZINC000881743543 896501460 /nfs/dbraw/zinc/50/14/60/896501460.db2.gz GWHIQSAATQICFY-HHHXNRCGSA-N 0 0 399.438 3.947 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000129359547 896589079 /nfs/dbraw/zinc/58/90/79/896589079.db2.gz GCIVPFBIBINHNV-FGZHOGPDSA-N 0 0 399.510 3.998 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000129359065 896589403 /nfs/dbraw/zinc/58/94/03/896589403.db2.gz GCIVPFBIBINHNV-YADHBBJMSA-N 0 0 399.510 3.998 20 10 GHCDRN CC(=O)c1ccc(OC[C@H](O)CNc2ccccc2OC[C@@H]2CCCCO2)cc1 ZINC000819425717 896726164 /nfs/dbraw/zinc/72/61/64/896726164.db2.gz HPFWZSOHLAFUOX-CTNGQTDRSA-N 0 0 399.487 3.689 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)Cc3cc(Cl)ccc3OC)C2)cc1 ZINC000819580533 896821399 /nfs/dbraw/zinc/82/13/99/896821399.db2.gz KXVBQXBSUJKKBL-HNNXBMFYSA-N 0 0 388.895 3.542 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)CCC(=O)c3ccc(C)s3)C2)cc1 ZINC000819580091 896822145 /nfs/dbraw/zinc/82/21/45/896822145.db2.gz FNXPWYACFGVMAY-MRXNPFEDSA-N 0 0 386.517 3.671 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)COc3ccc4ccccc4c3)C2)cc1 ZINC000819580400 896822176 /nfs/dbraw/zinc/82/21/76/896822176.db2.gz JBWKNVLCGOBPTF-SFHVURJKSA-N 0 0 390.483 3.870 20 10 GHCDRN CCOc1ccccc1CCC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819581511 896824093 /nfs/dbraw/zinc/82/40/93/896824093.db2.gz ZWWOBIYKLNVRHT-GOSISDBHSA-N 0 0 382.504 3.669 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)COc3ccc(C(C)C)cc3)C2)cc1 ZINC000819581051 896824111 /nfs/dbraw/zinc/82/41/11/896824111.db2.gz SMFXPPSUZLTWOV-GOSISDBHSA-N 0 0 382.504 3.840 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)Cc3ccc(F)cc3Cl)C2)cc1 ZINC000819585397 896832845 /nfs/dbraw/zinc/83/28/45/896832845.db2.gz DQNGVPNOLHYOKW-AWEZNQCLSA-N 0 0 376.859 3.673 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)/C(C)=C\c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000819587049 896836397 /nfs/dbraw/zinc/83/63/97/896836397.db2.gz DKGAIFZPBBJKHE-BBLCHGJFSA-N 0 0 395.459 3.649 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)/C(C)=C/c3ccc(OC)c(F)c3)C2)cc1 ZINC000819586625 896836642 /nfs/dbraw/zinc/83/66/42/896836642.db2.gz ANMQCSRVPSYLBQ-FXFXYLOPSA-N 0 0 398.478 3.889 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3nsc4ccc(C)cc43)C2)cc1 ZINC000819589313 896838946 /nfs/dbraw/zinc/83/89/46/896838946.db2.gz CPUSLHBTOZALEO-OAHLLOKOSA-N 0 0 381.501 3.870 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000819694542 896909095 /nfs/dbraw/zinc/90/90/95/896909095.db2.gz JAZDLACKWGMHOA-UHFFFAOYSA-N 0 0 395.377 3.545 20 10 GHCDRN COc1c([O-])c(C[NH2+]CC2(N3CCCCC3)CCCCC2)ccc1[N+](=O)[O-] ZINC000774940832 914116247 /nfs/dbraw/zinc/11/62/47/914116247.db2.gz CXGPPXQOHVDYQG-UHFFFAOYSA-N 0 0 377.485 3.587 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000819760938 896995197 /nfs/dbraw/zinc/99/51/97/896995197.db2.gz KOQDWHUDOUYHJN-UHFFFAOYSA-N 0 0 376.840 3.647 20 10 GHCDRN COc1ccc(N2CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)C2)cc1 ZINC000819889533 897033548 /nfs/dbraw/zinc/03/35/48/897033548.db2.gz DOLWZSRMCSNSPV-QGZVFWFLSA-N 0 0 396.512 3.653 20 10 GHCDRN Cc1noc(Cl)c1CCC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000820006236 897081594 /nfs/dbraw/zinc/08/15/94/897081594.db2.gz PEQFMVJXPJAJAM-UHFFFAOYSA-N 0 0 381.823 3.917 20 10 GHCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2ccc(F)cc2F)cc1 ZINC000130424707 897082362 /nfs/dbraw/zinc/08/23/62/897082362.db2.gz CHLCRACEIWYUGO-FQEVSTJZSA-N 0 0 388.458 3.781 20 10 GHCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2ccc(F)cc2F)cc1 ZINC000130424941 897082927 /nfs/dbraw/zinc/08/29/27/897082927.db2.gz CHLCRACEIWYUGO-HXUWFJFHSA-N 0 0 388.458 3.781 20 10 GHCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2c(F)cccc2F)cc1 ZINC000130427308 897084303 /nfs/dbraw/zinc/08/43/03/897084303.db2.gz LTGBMDIOWOOUQN-GOSISDBHSA-N 0 0 388.458 3.781 20 10 GHCDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1cc(F)ccc1N1CCC(O)CC1 ZINC000882997552 897186802 /nfs/dbraw/zinc/18/68/02/897186802.db2.gz UPTRHJMMDGSQDR-GFCCVEGCSA-N 0 0 380.410 3.621 20 10 GHCDRN Cc1cc(C(=O)N2CC(CN3CCOCC3)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000820249659 897241146 /nfs/dbraw/zinc/24/11/46/897241146.db2.gz QKIHPFMSZDHESR-UHFFFAOYSA-N 0 0 395.547 3.622 20 10 GHCDRN O=C(C/C=C\Cc1ccccc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000820424542 897339198 /nfs/dbraw/zinc/33/91/98/897339198.db2.gz HUQVXYJGMGGJSG-PLNGDYQASA-N 0 0 382.479 3.592 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1nnn(Cc2ccncc2)c1C ZINC000820470561 897348495 /nfs/dbraw/zinc/34/84/95/897348495.db2.gz BSDKJXWZGZEROR-UHFFFAOYSA-N 0 0 392.488 3.751 20 10 GHCDRN Cc1cn2c(nc(C)c2CNC(=O)c2cc(C)n(-c3ccccn3)c2C)s1 ZINC000820537570 897376685 /nfs/dbraw/zinc/37/66/85/897376685.db2.gz ZCVPGOMELUFKOU-UHFFFAOYSA-N 0 0 379.489 3.745 20 10 GHCDRN CSc1nc(NCc2ccc(N3CCC(CO)CC3)cc2)cc(C(F)F)n1 ZINC000820630532 897423377 /nfs/dbraw/zinc/42/33/77/897423377.db2.gz VKUZHPXFZJSCTP-UHFFFAOYSA-N 0 0 394.491 3.957 20 10 GHCDRN CC(C)c1csc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000131600228 897527072 /nfs/dbraw/zinc/52/70/72/897527072.db2.gz AEXJFWQAMIQOTE-HNNXBMFYSA-N 0 0 388.537 3.664 20 10 GHCDRN O=C(c1cc(-c2cccc(O)c2)on1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000821195179 897756056 /nfs/dbraw/zinc/75/60/56/897756056.db2.gz NVGUNQDESGBELJ-GOSISDBHSA-N 0 0 394.427 3.574 20 10 GHCDRN CCSc1nn(CN(C)Cc2ccc(N3CCOCC3)cc2)c(=S)s1 ZINC000028786497 897913328 /nfs/dbraw/zinc/91/33/28/897913328.db2.gz HFURRTFBUQYCEW-UHFFFAOYSA-N 0 0 396.607 3.712 20 10 GHCDRN Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)c(C)n1C1CCOCC1 ZINC000821842734 898089902 /nfs/dbraw/zinc/08/99/02/898089902.db2.gz NUSZEEXADOPFOX-UHFFFAOYSA-N 0 0 381.520 3.987 20 10 GHCDRN CC(C)[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)N1Cc2ccccc2C1=O ZINC000821843799 898091412 /nfs/dbraw/zinc/09/14/12/898091412.db2.gz VGPRMBWZJNJXMP-QFIPXVFZSA-N 0 0 391.515 3.584 20 10 GHCDRN CC[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1nc(C)cs1 ZINC000105305615 898205860 /nfs/dbraw/zinc/20/58/60/898205860.db2.gz ROZVNZIXNWASJL-SFHVURJKSA-N 0 0 388.537 3.581 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3c(C)cc(N(C)C)cc3C)C2)cc1 ZINC000822094718 898220255 /nfs/dbraw/zinc/22/02/55/898220255.db2.gz WKLAXKUGFVKPIK-QGZVFWFLSA-N 0 0 382.508 3.778 20 10 GHCDRN C/C=C\COc1cccc(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000822269198 898276910 /nfs/dbraw/zinc/27/69/10/898276910.db2.gz NGAGELBDBHJLPN-ARJAWSKDSA-N 0 0 394.515 3.679 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)Nc1ccc(-c2ncco2)cc1 ZINC000822270311 898279953 /nfs/dbraw/zinc/27/99/53/898279953.db2.gz PJPHMDHECRZDIU-UHFFFAOYSA-N 0 0 392.459 3.624 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccn(CC)c1C ZINC000822459318 898385806 /nfs/dbraw/zinc/38/58/06/898385806.db2.gz RVZUSCNWSLDULO-UHFFFAOYSA-N 0 0 385.508 3.819 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)NCc3nccn3C(F)F)cc2)CC1 ZINC000108571309 898389821 /nfs/dbraw/zinc/38/98/21/898389821.db2.gz 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20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC001545684235 1014990806 /nfs/dbraw/zinc/99/08/06/1014990806.db2.gz OSSPVNNYLHMLJU-OWCLPIDISA-N 0 0 384.476 3.505 20 10 GHCDRN CCCc1nc(C(=O)N[C@H](C)c2cc(OC)ccc2O)nn1-c1ccccc1F ZINC001545684105 1014991022 /nfs/dbraw/zinc/99/10/22/1014991022.db2.gz KAUFANSACPSWEG-CYBMUJFWSA-N 0 0 398.438 3.564 20 10 GHCDRN COC(=O)c1cccc(NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)c1OC ZINC001626117991 1015000953 /nfs/dbraw/zinc/00/09/53/1015000953.db2.gz XEVJUYCELFNGBV-UHFFFAOYSA-N 0 0 397.475 3.746 20 10 GHCDRN C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598519540 992662188 /nfs/dbraw/zinc/66/21/88/992662188.db2.gz XNCZYRSKDZIXOD-LJQANCHMSA-N 0 0 378.394 3.962 20 10 GHCDRN C[C@@H]([NH2+][C@H](C(=O)[O-])c1ccccc1Br)c1ccc(N(C)C)cc1 ZINC001593194241 994132478 /nfs/dbraw/zinc/13/24/78/994132478.db2.gz CEBUBNNDILJGDX-PXAZEXFGSA-N 0 0 377.282 3.992 20 10 GHCDRN C[C@@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O)c1ccc(NC(=O)NC2CC2)cc1 ZINC001593195279 994146374 /nfs/dbraw/zinc/14/63/74/994146374.db2.gz CWEJJLKRBBZCHR-CHWSQXEVSA-N 0 0 383.448 3.786 20 10 GHCDRN C[C@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1cc(C(=O)[O-])ccc1O ZINC001593317602 994819941 /nfs/dbraw/zinc/81/99/41/994819941.db2.gz RHLIUOLUAPOBRO-AWEZNQCLSA-N 0 0 377.444 3.616 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H]1CCc2ccccc2OC1 ZINC001227155494 1032296615 /nfs/dbraw/zinc/29/66/15/1032296615.db2.gz SCDIVYRVSAEZCM-YLJYHZDGSA-N 0 0 381.520 3.685 20 10 GHCDRN C[C@@H](NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCC1)c1ccccc1O ZINC001227414402 1032410521 /nfs/dbraw/zinc/41/05/21/1032410521.db2.gz PQNZZSGIRIEEJA-RHSMWYFYSA-N 0 0 391.512 3.836 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)NCCC(C)(C)c3ccccc3)C2)cc1 ZINC001221426821 1032411006 /nfs/dbraw/zinc/41/10/06/1032411006.db2.gz WNVNFEWULKJLIE-IBGZPJMESA-N 0 0 381.520 3.941 20 10 GHCDRN CCCOc1cccc(CCNC(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC001221512282 1032442865 /nfs/dbraw/zinc/44/28/65/1032442865.db2.gz WFBPGUGPIPEGQV-UHFFFAOYSA-N 0 0 381.520 3.900 20 10 GHCDRN CC[C@H]1CO[C@@](C)(CCC(C)C)N1C(=O)c1cc2cc(O)c(O)cc2oc1=O ZINC001155224340 1032463401 /nfs/dbraw/zinc/46/34/01/1032463401.db2.gz CMNJTIROIPYZSR-QKKBWIMNSA-N 0 0 389.448 3.608 20 10 GHCDRN CCOC(=O)[C@H](CC(C)C)Oc1c(O)ccc2c1C(=O)c1ccccc1C2=O ZINC001227581261 1032471220 /nfs/dbraw/zinc/47/12/20/1032471220.db2.gz YMYCNWIQHLUTLK-KRWDZBQOSA-N 0 0 382.412 3.524 20 10 GHCDRN COc1cc(OC2CCC([NH+](C)C)CC2)c2c([O-])c3c(=O)c(O)ccc-3oc2c1 ZINC001227656829 1032505807 /nfs/dbraw/zinc/50/58/07/1032505807.db2.gz DXLWSFUDTNFMDA-UHFFFAOYSA-N 0 0 399.443 3.618 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H](c1ncccn1)C1CC1 ZINC000925435239 1017081009 /nfs/dbraw/zinc/08/10/09/1017081009.db2.gz PJKMAMGMXVSMKY-FQEVSTJZSA-N 0 0 379.508 3.760 20 10 GHCDRN CN(C)c1ccc(CN2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c2ccccc21 ZINC001204235120 1032681200 /nfs/dbraw/zinc/68/12/00/1032681200.db2.gz GNKXKHZTHTXXTO-SFHVURJKSA-N 0 0 399.535 3.631 20 10 GHCDRN Cc1c(=O)[nH]c2ccccc2c1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000930743833 1017870413 /nfs/dbraw/zinc/87/04/13/1017870413.db2.gz GIGQLAPNFMRPKS-MRXNPFEDSA-N 0 0 391.471 3.576 20 10 GHCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)N1CCC(O)(C2CCC2)CC1 ZINC000931784333 1018050583 /nfs/dbraw/zinc/05/05/83/1018050583.db2.gz AOHQNNQEYLRTDN-UHFFFAOYSA-N 0 0 391.475 3.555 20 10 GHCDRN CC[C@@H](C)C[C@H](NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)C(=O)OC ZINC001277265509 1032756492 /nfs/dbraw/zinc/75/64/92/1032756492.db2.gz JBITUFOQWGILAU-KUHUBIRLSA-N 0 0 388.508 3.612 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000187430440 1018460031 /nfs/dbraw/zinc/46/00/31/1018460031.db2.gz WJTMLMLMBRUHGZ-IZPAUZPXSA-N 0 0 392.377 3.525 20 10 GHCDRN COC1CCN(c2ccc(CN3CCn4c(cnc4C(F)(F)F)C3)cc2)CC1 ZINC000932579948 1018483290 /nfs/dbraw/zinc/48/32/90/1018483290.db2.gz GCSRKYRWZPNMOG-UHFFFAOYSA-N 0 0 394.441 3.533 20 10 GHCDRN COc1cc(Br)cc(CN2CCc3cc(F)c(F)cc3C2)c1O ZINC001204340256 1032781119 /nfs/dbraw/zinc/78/11/19/1032781119.db2.gz JSYHIZWRFQGREF-UHFFFAOYSA-N 0 0 384.220 4.000 20 10 GHCDRN Cc1noc(C(C)C)c1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000932873163 1018722623 /nfs/dbraw/zinc/72/26/23/1018722623.db2.gz CANREBGOTJODIZ-UHFFFAOYSA-N 0 0 390.459 3.528 20 10 GHCDRN C[C@@H](COc1c(O)c(O)ccc1C(=O)c1ccc(O)cc1)Oc1ccccc1 ZINC001228108349 1032786138 /nfs/dbraw/zinc/78/61/38/1032786138.db2.gz FWOJMXIYIZNFFY-AWEZNQCLSA-N 0 0 380.396 3.881 20 10 GHCDRN O=C(N[C@H]([C@@H]1CCOC1)C(F)(F)F)N(Cc1ccco1)Cc1ccccc1O ZINC000933019532 1018809256 /nfs/dbraw/zinc/80/92/56/1018809256.db2.gz CDLISXKIZKYSPM-RHSMWYFYSA-N 0 0 398.381 3.664 20 10 GHCDRN Oc1cc2c(cc1O)CN(c1nc(Cl)nc3c(Cl)nccc31)CCC2 ZINC001155945391 1032806384 /nfs/dbraw/zinc/80/63/84/1032806384.db2.gz UDOQPJRTEDAKKH-UHFFFAOYSA-N 0 0 377.231 3.696 20 10 GHCDRN Cc1cc(OCc2ccccc2)nc(N2CCCc3cc(O)c(O)cc3C2)n1 ZINC001155947633 1032807852 /nfs/dbraw/zinc/80/78/52/1032807852.db2.gz APDCTQJIYKNAAI-UHFFFAOYSA-N 0 0 377.444 3.728 20 10 GHCDRN C[C@@H](NC(=O)N(C)[C@@H](C)Cc1ccc(O)cc1)c1ccc(N2CCOCC2)cc1 ZINC000156634627 1019691670 /nfs/dbraw/zinc/69/16/70/1019691670.db2.gz UYYLWRQNWZXYFD-ZWKOTPCHSA-N 0 0 397.519 3.562 20 10 GHCDRN CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3ccnnc3)c2C)c1 ZINC000778832582 1019816042 /nfs/dbraw/zinc/81/60/42/1019816042.db2.gz OQHYQTFMQIXDCF-UHFFFAOYSA-N 0 0 381.457 3.646 20 10 GHCDRN Cc1ccc(NC(=O)NCc2c(O)cccc2F)cc1C(=O)N1CCCCC1 ZINC001204458911 1032903137 /nfs/dbraw/zinc/90/31/37/1032903137.db2.gz SLEBVRUGTBKNAD-UHFFFAOYSA-N 0 0 385.439 3.788 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000779192298 1020491983 /nfs/dbraw/zinc/49/19/83/1020491983.db2.gz JPUCGABUHGWPSA-IBGZPJMESA-N 0 0 387.277 3.559 20 10 GHCDRN O=C(NCc1ccc(O)c(O)c1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000190201590 1020635243 /nfs/dbraw/zinc/63/52/43/1020635243.db2.gz BAQOIIVUEZAZFO-UHFFFAOYSA-N 0 0 381.350 3.636 20 10 GHCDRN COc1ccc(Br)cc1CN(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779489562 1020831432 /nfs/dbraw/zinc/83/14/32/1020831432.db2.gz QLXPICUUMBHNFR-XBXARRHUSA-N 0 0 392.249 3.541 20 10 GHCDRN CCOc1ccc(N2CCN(Cc3ccc(Br)cc3N)CC2)cc1 ZINC001140225020 1021190200 /nfs/dbraw/zinc/19/02/00/1021190200.db2.gz JJWYGBJMMSZAPQ-UHFFFAOYSA-N 0 0 390.325 3.752 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H]1CCCSC1 ZINC000834517889 1021240818 /nfs/dbraw/zinc/24/08/18/1021240818.db2.gz BSMLQMYTSDVZSE-HNNXBMFYSA-N 0 0 378.538 3.518 20 10 GHCDRN O=C(NC1(c2cccc(OC(F)(F)F)c2)CCOCC1)C1=CC(=O)CS1 ZINC000834580826 1021280218 /nfs/dbraw/zinc/28/02/18/1021280218.db2.gz OYVVWMYJAGSARD-UHFFFAOYSA-N 0 0 387.379 3.788 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccccc3Oc3ccncc3)CC2)cc1 ZINC000800797958 1021336693 /nfs/dbraw/zinc/33/66/93/1021336693.db2.gz CXFJKEGBHCSDID-UHFFFAOYSA-N 0 0 389.455 3.845 20 10 GHCDRN Cc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000801174696 1021373047 /nfs/dbraw/zinc/37/30/47/1021373047.db2.gz SKDCPIAFZURYNM-UHFFFAOYSA-N 0 0 379.435 3.834 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000802041522 1021470489 /nfs/dbraw/zinc/47/04/89/1021470489.db2.gz YLOQRURJVYGCTL-GOSISDBHSA-N 0 0 381.476 3.509 20 10 GHCDRN C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21)c1cc(Cl)c(Cl)cc1[O-] ZINC000834826125 1021521160 /nfs/dbraw/zinc/52/11/60/1021521160.db2.gz CJIACTYXQDROKL-WDEREUQCSA-N 0 0 386.300 3.921 20 10 GHCDRN C[C@@H]([NH2+]CC[C@H](C)CCO)c1cc(Br)cc(Br)c1[O-] ZINC000834833106 1021530544 /nfs/dbraw/zinc/53/05/44/1021530544.db2.gz UYDQLTHDYGBPEJ-VHSXEESVSA-N 0 0 395.135 3.976 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H](C)CCCO)c1cc(Br)cc(Br)c1[O-] ZINC000834871001 1021582826 /nfs/dbraw/zinc/58/28/26/1021582826.db2.gz MHXJVCZTOLAKQV-VHSXEESVSA-N 0 0 395.135 3.976 20 10 GHCDRN CC[C@H](Nc1cc(NS(C)(=O)=O)ccc1OC)c1cc(Cl)ccc1O ZINC000834888788 1021622254 /nfs/dbraw/zinc/62/22/54/1021622254.db2.gz PVNYGFZZHJLAIF-AWEZNQCLSA-N 0 0 384.885 3.989 20 10 GHCDRN CC[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1)c1ccc(F)cc1[O-] ZINC000834906603 1021660233 /nfs/dbraw/zinc/66/02/33/1021660233.db2.gz YASHIKZYHGJKDF-WBVHZDCISA-N 0 0 382.476 3.598 20 10 GHCDRN C[C@H]([NH2+][C@H]1C[C@@H]2CCCCN2C1=O)c1cc(Br)cc(Cl)c1[O-] ZINC000834913702 1021676410 /nfs/dbraw/zinc/67/64/10/1021676410.db2.gz IWMDULVLFCQJDE-CHIMOYNISA-N 0 0 387.705 3.612 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1cccn2c1nnc2C1CC1 ZINC001156376508 1033006976 /nfs/dbraw/zinc/00/69/76/1033006976.db2.gz QPNDDTQRWKUUEZ-LJQANCHMSA-N 0 0 390.487 3.983 20 10 GHCDRN CN(C)c1ccc(/C=C\CN2CCOC[C@H]2c2noc(-c3ccccc3)n2)cc1 ZINC000835044291 1021804638 /nfs/dbraw/zinc/80/46/38/1021804638.db2.gz IPHUPRHUUSPMDP-NGXITPROSA-N 0 0 390.487 3.889 20 10 GHCDRN CCOc1ccc(Cl)c(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000835235193 1021977763 /nfs/dbraw/zinc/97/77/63/1021977763.db2.gz NWJLYKDITLLULQ-CYBMUJFWSA-N 0 0 389.883 3.621 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(OC(C)C)c1 ZINC000835326364 1022033642 /nfs/dbraw/zinc/03/36/42/1022033642.db2.gz AJRGJRMKSOKDNR-UHFFFAOYSA-N 0 0 384.476 3.947 20 10 GHCDRN Fc1cc(N2CCOCC2)ccc1CN1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001140664700 1022208876 /nfs/dbraw/zinc/20/88/76/1022208876.db2.gz PLQKWJULOOVSRE-OAQYLSRUSA-N 0 0 390.886 3.889 20 10 GHCDRN CC[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@@H](O)C(F)F ZINC000835561497 1022247183 /nfs/dbraw/zinc/24/71/83/1022247183.db2.gz CFBJKWKUIVOBPA-HZPDHXFCSA-N 0 0 390.390 3.561 20 10 GHCDRN COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1F ZINC000754534725 1022758086 /nfs/dbraw/zinc/75/80/86/1022758086.db2.gz GPHLAYHUAQWHLF-UHFFFAOYSA-N 0 0 375.355 3.862 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCO[C@H](c3ccncc3)C2)cc1 ZINC000836240582 1022758886 /nfs/dbraw/zinc/75/88/86/1022758886.db2.gz AOVPHRZJONDWHR-FPOVZHCZSA-N 0 0 382.508 3.647 20 10 GHCDRN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)c2ccccc2O1 ZINC000836242207 1022761240 /nfs/dbraw/zinc/76/12/40/1022761240.db2.gz KVBDUEYOSDEFIZ-OXQOHEQNSA-N 0 0 397.544 3.951 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C3CCOCC3)C2)cc1F ZINC000754856921 1022936747 /nfs/dbraw/zinc/93/67/47/1022936747.db2.gz WOUVGTBGSRKJMU-SFHVURJKSA-N 0 0 377.504 3.630 20 10 GHCDRN C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000836405642 1022950009 /nfs/dbraw/zinc/95/00/09/1022950009.db2.gz JYRCANBIKHWKJS-HZPDHXFCSA-N 0 0 392.544 3.806 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)NCC3=CCOCC3)cc2Cl)C1 ZINC000836444117 1022976688 /nfs/dbraw/zinc/97/66/88/1022976688.db2.gz LSDYAXCEAIBFQN-HNNXBMFYSA-N 0 0 377.916 3.722 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)NC3(c4ncon4)CCCC3)c2C)cc1 ZINC001156573008 1033108863 /nfs/dbraw/zinc/10/88/63/1033108863.db2.gz RTFUKWNQCRZTIJ-UHFFFAOYSA-N 0 0 380.448 3.685 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCOc2ccc(Cl)c(F)c2)c1 ZINC000836599357 1023157958 /nfs/dbraw/zinc/15/79/58/1023157958.db2.gz WWHZJVWWFLGZLA-NSHDSACASA-N 0 0 382.819 3.633 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)c1 ZINC000836708417 1023283217 /nfs/dbraw/zinc/28/32/17/1023283217.db2.gz WNIDGMJGOWWIIU-NOZJJQNGSA-N 0 0 389.399 3.830 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2(c3ccc(OC)c(OC)c3)CCC2)c1 ZINC000755528634 1023284290 /nfs/dbraw/zinc/28/42/90/1023284290.db2.gz GBHRDPRCUCLUIM-CQSZACIVSA-N 0 0 385.460 3.717 20 10 GHCDRN C[C@@H](NC(=O)Nc1ccccc1OCCF)c1ccc(N2CCOCC2)cc1 ZINC000836712367 1023289504 /nfs/dbraw/zinc/28/95/04/1023289504.db2.gz HLHWHFWKYSZWND-MRXNPFEDSA-N 0 0 387.455 3.754 20 10 GHCDRN COc1cc(O)c(CN2CCn3nc(-c4ccc(Cl)cc4)cc3C2)c(OC)c1 ZINC001141031162 1023297457 /nfs/dbraw/zinc/29/74/57/1023297457.db2.gz YIXWZMFSCSPINL-UHFFFAOYSA-N 0 0 399.878 3.942 20 10 GHCDRN CC(F)(F)c1ccccc1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000836730295 1023316502 /nfs/dbraw/zinc/31/65/02/1023316502.db2.gz OJUFGGONECSOPR-UHFFFAOYSA-N 0 0 375.419 3.957 20 10 GHCDRN COc1c(F)cc(NC(=O)NCc2ccc(N3CCCC3)cc2)c(OC)c1F ZINC000836736534 1023323959 /nfs/dbraw/zinc/32/39/59/1023323959.db2.gz ACLSECDTHLWRNL-UHFFFAOYSA-N 0 0 391.418 3.904 20 10 GHCDRN COc1cc(C(N)=O)ccc1NC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000836772196 1023356834 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GHCDRN C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cc(Br)c(F)cc1[O-] ZINC000756394810 1023626590 /nfs/dbraw/zinc/62/65/90/1023626590.db2.gz ZGFVUTNJJBGRLE-NSHDSACASA-N 0 0 391.244 3.725 20 10 GHCDRN C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1cc(F)cc(F)c1[O-] ZINC000756417103 1023637566 /nfs/dbraw/zinc/63/75/66/1023637566.db2.gz PHVOJJFXBAFASR-HZSPNIEDSA-N 0 0 377.435 3.530 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(F)cc2Br)c1 ZINC000756450886 1023657816 /nfs/dbraw/zinc/65/78/16/1023657816.db2.gz VAHNLXKUHJPRFR-JTQLQIEISA-N 0 0 382.229 3.931 20 10 GHCDRN Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])c1 ZINC000756453072 1023658504 /nfs/dbraw/zinc/65/85/04/1023658504.db2.gz CJDNLMIGHKMHPG-CHWSQXEVSA-N 0 0 398.272 3.693 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2(c3ccccc3C)CCOCC2)c1 ZINC000756453313 1023659705 /nfs/dbraw/zinc/65/97/05/1023659705.db2.gz DYYMVBJOBIHHMG-QGZVFWFLSA-N 0 0 383.488 3.886 20 10 GHCDRN COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] 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381.201 3.798 20 10 GHCDRN C[C@H]([NH2+]Cc1cocn1)c1cc(Br)cc(Br)c1[O-] ZINC000756833377 1023828283 /nfs/dbraw/zinc/82/82/83/1023828283.db2.gz YZDYPQUKLYOIQQ-ZETCQYMHSA-N 0 0 376.048 3.756 20 10 GHCDRN C[C@@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1cc(Br)cc(F)c1O ZINC000756831962 1023828613 /nfs/dbraw/zinc/82/86/13/1023828613.db2.gz QNNMYXVSVVCEJF-SECBINFHSA-N 0 0 394.244 3.657 20 10 GHCDRN C[C@@H](C(=O)Nc1ccc(N[C@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1)n1cncn1 ZINC000756849430 1023832547 /nfs/dbraw/zinc/83/25/47/1023832547.db2.gz ANWKOJCOUOGSHR-IGCXYCKISA-N 0 0 395.438 3.983 20 10 GHCDRN C[C@@H](Nc1cnn(CC(=O)NC2CCCC2)c1)c1cc2c(cc1O)CCCC2 ZINC000756867875 1023840792 /nfs/dbraw/zinc/84/07/92/1023840792.db2.gz MYFYGPMQOUKSEG-OAHLLOKOSA-N 0 0 382.508 3.699 20 10 GHCDRN CN(C)c1ccc(CNC(=O)CN2CCC(=Cc3ccccc3F)CC2)cc1 ZINC000756898185 1023850761 /nfs/dbraw/zinc/85/07/61/1023850761.db2.gz MYLPCPDKTXUXQQ-UHFFFAOYSA-N 0 0 381.495 3.687 20 10 GHCDRN CCC(=O)c1cc(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)ccc1F ZINC000757054071 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CC(C)C1(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC000837666215 1024618153 /nfs/dbraw/zinc/61/81/53/1024618153.db2.gz QBYYNYIIIAAGGS-UHFFFAOYSA-N 0 0 385.430 3.530 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(Cl)c(F)c1 ZINC000837707480 1024650590 /nfs/dbraw/zinc/65/05/90/1024650590.db2.gz BRXWGPPOOZUYOV-UHFFFAOYSA-N 0 0 384.785 3.524 20 10 GHCDRN CC(C)(Cc1ccccc1)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837709661 1024651707 /nfs/dbraw/zinc/65/17/07/1024651707.db2.gz MPTVXBIJJOIJAM-UHFFFAOYSA-N 0 0 388.458 3.687 20 10 GHCDRN Cc1cccc(CC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c1Cl ZINC000837710026 1024653353 /nfs/dbraw/zinc/65/33/53/1024653353.db2.gz FJPIGFDZYKPWLI-UHFFFAOYSA-N 0 0 394.849 3.622 20 10 GHCDRN O=C(C[C@H]1CCc2ccccc21)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837709770 1024654468 /nfs/dbraw/zinc/65/44/68/1024654468.db2.gz QBFJXECTNLBGKX-QGZVFWFLSA-N 0 0 386.442 3.538 20 10 GHCDRN CO[C@@H]1CCC[C@@H](C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)C1 ZINC000837746211 1024676493 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Cc1cc(C(=O)Nc2ccc(F)cc2N2CCOCC2)c(C)n1-c1ccccn1 ZINC000838326453 1025070208 /nfs/dbraw/zinc/07/02/08/1025070208.db2.gz FBJAPBBJTWPMQZ-UHFFFAOYSA-N 0 0 394.450 3.717 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1F ZINC000838392807 1025109058 /nfs/dbraw/zinc/10/90/58/1025109058.db2.gz XJOMLPGUJUTIBJ-YFVAEKQCSA-N 0 0 391.531 3.897 20 10 GHCDRN Brc1cc(CN2CCc3sccc3C2)ccc1N1CCOCC1 ZINC001138676108 1025200868 /nfs/dbraw/zinc/20/08/68/1025200868.db2.gz ADFMRYFZLLPOHG-UHFFFAOYSA-N 0 0 393.350 3.906 20 10 GHCDRN Brc1cc(CN2CCc3ccccc3C2)ccc1N1CCOCC1 ZINC001138675915 1025200928 /nfs/dbraw/zinc/20/09/28/1025200928.db2.gz PXNNXWVMHGYJTJ-UHFFFAOYSA-N 0 0 387.321 3.844 20 10 GHCDRN Brc1cc(CN2CC(c3ccccc3)C2)ccc1N1CCOCC1 ZINC001138680095 1025204624 /nfs/dbraw/zinc/20/46/24/1025204624.db2.gz LNANZEGASYWULE-UHFFFAOYSA-N 0 0 387.321 3.885 20 10 GHCDRN C[C@H]1c2cccn2CCN1Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138681028 1025205422 /nfs/dbraw/zinc/20/54/22/1025205422.db2.gz 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/nfs/dbraw/zinc/51/67/43/1027516743.db2.gz MFUMRRAXBLXYGR-AWEZNQCLSA-N 0 0 376.831 3.780 20 10 GHCDRN COC(=O)c1ccc2c(c1)CN(C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C2 ZINC000840479407 1027562055 /nfs/dbraw/zinc/56/20/55/1027562055.db2.gz PAHMXEZFJLSAPC-MRXNPFEDSA-N 0 0 395.503 3.504 20 10 GHCDRN Cc1noc([C@H]2CCCCN2C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000840485574 1027570350 /nfs/dbraw/zinc/57/03/50/1027570350.db2.gz UVLHPLMSPYTGEC-HNAYVOBHSA-N 0 0 385.512 3.620 20 10 GHCDRN CCNC(=O)c1ccc(C)c(NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000840488787 1027574808 /nfs/dbraw/zinc/57/48/08/1027574808.db2.gz OPQNIOYXSGBZME-KRWDZBQOSA-N 0 0 396.535 3.872 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000840490314 1027574945 /nfs/dbraw/zinc/57/49/45/1027574945.db2.gz ZIXBNGCTPOTAAM-HUUCEWRRSA-N 0 0 396.491 3.533 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000840554834 1027612652 /nfs/dbraw/zinc/61/26/52/1027612652.db2.gz CQWYGDVOBUGFCM-BWAGFHJFSA-N 0 0 399.579 3.537 20 10 GHCDRN COc1cc(N(c2ccc(N)cc2)S(=O)(=O)c2ccc(C)cc2)cc(C)n1 ZINC001210780896 1027649717 /nfs/dbraw/zinc/64/97/17/1027649717.db2.gz JZZAWMKVPRMBOS-UHFFFAOYSA-N 0 0 383.473 3.816 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(Cc2ccc(O)c(O)c2)[C@H](c2ccccc2)C1 ZINC001203876049 1027676259 /nfs/dbraw/zinc/67/62/59/1027676259.db2.gz ZYEFGOGWDXNMSE-SFHVURJKSA-N 0 0 384.476 3.892 20 10 GHCDRN CN(C)c1ccc(CN2Cc3c(cnn3CC3CC3)[C@H](COCC3CC3)C2)cc1 ZINC001203934460 1027728623 /nfs/dbraw/zinc/72/86/23/1027728623.db2.gz ZDARFVKBTVBPLB-NRFANRHFSA-N 0 0 394.563 3.885 20 10 GHCDRN CCOC(=O)c1ccc2c(c1)nc(/C(Cl)=C\c1cnc(N(C)C)nc1)n2CC ZINC000840720100 1027759281 /nfs/dbraw/zinc/75/92/81/1027759281.db2.gz MOCQGBJYJOXXRS-OQLLNIDSSA-N 0 0 399.882 3.826 20 10 GHCDRN O=C(NCCCC1CCCCC1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001211170605 1027818662 /nfs/dbraw/zinc/81/86/62/1027818662.db2.gz FYLHNSLSQGKTCX-UHFFFAOYSA-N 0 0 395.494 3.961 20 10 GHCDRN Cc1cc(C(=O)NCc2ncc3c(n2)CCC3)c(C)n1-c1cccc(Cl)c1 ZINC001142021671 1027903180 /nfs/dbraw/zinc/90/31/80/1027903180.db2.gz LLOWROVFUDICRC-UHFFFAOYSA-N 0 0 380.879 3.956 20 10 GHCDRN O=C([O-])c1cccc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000840994595 1028027815 /nfs/dbraw/zinc/02/78/15/1028027815.db2.gz PORZFTAAEJHHEQ-INIZCTEOSA-N 0 0 376.403 3.745 20 10 GHCDRN COc1ccc(N2CCC([NH2+][C@@H](CCC(=O)[O-])Cc3ccccc3)CC2)cc1 ZINC000840998433 1028031851 /nfs/dbraw/zinc/03/18/51/1028031851.db2.gz GPIJPAIFDCKPHI-FQEVSTJZSA-N 0 0 382.504 3.730 20 10 GHCDRN CC[C@](CNC(=O)c1cc2cc(O)c(O)cc2s1)(C(=O)OC)c1ccccc1 ZINC001142081171 1028055457 /nfs/dbraw/zinc/05/54/57/1028055457.db2.gz OPGGZRYBTRRUKR-OAQYLSRUSA-N 0 0 399.468 3.563 20 10 GHCDRN CC(C)c1ccc(C2(CNC(=O)C(=O)Nc3ccc(N)cc3)CCCC2)cc1 ZINC000841034854 1028058635 /nfs/dbraw/zinc/05/86/35/1028058635.db2.gz XRLKKCBRJRYYOL-UHFFFAOYSA-N 0 0 379.504 3.959 20 10 GHCDRN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)NCCc2ccc(N)cc2)cc1 ZINC000841065480 1028083737 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Nc1ccc2c(c1Nc1ccc3[nH]c(=O)ccc3c1)C(=O)c1ccccc1C2=O ZINC001213779413 1028376577 /nfs/dbraw/zinc/37/65/77/1028376577.db2.gz ACRKAGQOOVYJKZ-UHFFFAOYSA-N 0 0 381.391 3.629 20 10 GHCDRN Cc1ccc(C)c(N2N=C(C(=O)N(C)Cc3ccc(N(C)C)cc3)CCC2=O)c1 ZINC000302055608 1028471088 /nfs/dbraw/zinc/47/10/88/1028471088.db2.gz RWVSFVNSXYIITO-UHFFFAOYSA-N 0 0 392.503 3.511 20 10 GHCDRN Cc1nc(SC2CCCC2)sc1CC(=O)NCCc1ccc(O)c(O)c1 ZINC000841406041 1028580289 /nfs/dbraw/zinc/58/02/89/1028580289.db2.gz UAVWOJCVHIIJSJ-UHFFFAOYSA-N 0 0 392.546 3.799 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC001214385133 1028708215 /nfs/dbraw/zinc/70/82/15/1028708215.db2.gz ASZDOABOQAHFRL-UHFFFAOYSA-N 0 0 377.347 3.505 20 10 GHCDRN Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc(Cl)cc(Br)c2[O-])cc1 ZINC001461432193 1069546985 /nfs/dbraw/zinc/54/69/85/1069546985.db2.gz NTUTYULYBQUBBE-HNNXBMFYSA-N 0 0 384.701 3.810 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000841642794 1028798569 /nfs/dbraw/zinc/79/85/69/1028798569.db2.gz AGHGQVHQTWHCFJ-CYBMUJFWSA-N 0 0 383.418 3.573 20 10 GHCDRN C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1ccc(N2CCOC2=O)cc1 ZINC001142389351 1028801353 /nfs/dbraw/zinc/80/13/53/1028801353.db2.gz DUKXTABKKVEERW-LLVKDONJSA-N 0 0 398.440 3.760 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC001461436955 1069549720 /nfs/dbraw/zinc/54/97/20/1069549720.db2.gz SDLLIZVXKZCDSP-QAPCUYQASA-N 0 0 398.247 3.689 20 10 GHCDRN CO[C@H]1Cc2ccc(NC(=O)N[C@@H](C)Cc3ccc(N(C)C)cc3C)cc2C1 ZINC000841688440 1028836129 /nfs/dbraw/zinc/83/61/29/1028836129.db2.gz HOEDUSMEFVMSOT-AOMKIAJQSA-N 0 0 381.520 3.927 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NCc1cccc2c1CCCN2 ZINC000841706023 1028862526 /nfs/dbraw/zinc/86/25/26/1028862526.db2.gz BKDDQHBMBITWHU-UHFFFAOYSA-N 0 0 396.560 3.597 20 10 GHCDRN C[C@@H](Cc1ccc(Br)cc1)NC(=O)NCCc1ccc(N)cc1 ZINC000841712555 1028868497 /nfs/dbraw/zinc/86/84/97/1028868497.db2.gz FZTDWWRXXAEJDJ-ZDUSSCGKSA-N 0 0 376.298 3.504 20 10 GHCDRN CCOc1ccc(NC(=O)N2CCN(c3ccc(OC)cc3OC)CC2)c(C)c1 ZINC001214815156 1028921571 /nfs/dbraw/zinc/92/15/71/1028921571.db2.gz DOAMKJAXAMRQDT-UHFFFAOYSA-N 0 0 399.491 3.765 20 10 GHCDRN C[C@@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1cc(Br)c(F)cc1[O-] ZINC000841764748 1028922403 /nfs/dbraw/zinc/92/24/03/1028922403.db2.gz ZRTOYFBTUOHMKS-LLVKDONJSA-N 0 0 390.293 3.512 20 10 GHCDRN Cn1cnc2c1[C@H](COCC1CCCC1)CN(Cc1cc(F)c(F)cc1O)C2 ZINC001142513034 1029016415 /nfs/dbraw/zinc/01/64/15/1029016415.db2.gz UKRKHMFEHHAJHG-INIZCTEOSA-N 0 0 391.462 3.710 20 10 GHCDRN O=C(c1ccsc1)N1CCC2(CC[N@@H+](Cc3cc(F)c(F)cc3[O-])C2)CC1 ZINC001142517312 1029021877 /nfs/dbraw/zinc/02/18/77/1029021877.db2.gz IJJGYACEUKEDMK-UHFFFAOYSA-N 0 0 392.471 3.860 20 10 GHCDRN O=C1CC2(CCN(Cc3cc(F)c(F)cc3O)CC2)Oc2ccc(F)cc21 ZINC001142531255 1029033594 /nfs/dbraw/zinc/03/35/94/1029033594.db2.gz QGTSHVRBQSMCSQ-UHFFFAOYSA-N 0 0 377.362 3.810 20 10 GHCDRN Oc1ccc(-c2nc(-c3ccc([C@H]4CCc5cncn54)c(F)c3)no2)cc1O ZINC001215304144 1029140843 /nfs/dbraw/zinc/14/08/43/1029140843.db2.gz FZKRJBVPXWCVHI-MRXNPFEDSA-N 0 0 378.363 3.686 20 10 GHCDRN CCOc1ccc(-c2noc(-c3ccc(O)c(O)c3)n2)cc1Br ZINC001215304133 1029140868 /nfs/dbraw/zinc/14/08/68/1029140868.db2.gz FSRXZUQVPVHLKR-UHFFFAOYSA-N 0 0 377.194 3.976 20 10 GHCDRN CNC(=O)c1ccc(OC)c(Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 ZINC001215310599 1029145300 /nfs/dbraw/zinc/14/53/00/1029145300.db2.gz HOJJEWZDENHLSD-UHFFFAOYSA-N 0 0 386.407 3.574 20 10 GHCDRN Oc1ccc(-c2nc(-c3ccc(Cl)cc3Br)no2)c(O)c1O ZINC001215325235 1029153406 /nfs/dbraw/zinc/15/34/06/1029153406.db2.gz HSEDKYDYVQDFNM-UHFFFAOYSA-N 0 0 383.585 3.936 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cccc(Cl)c1Cl ZINC001142686506 1029268095 /nfs/dbraw/zinc/26/80/95/1029268095.db2.gz FAMKFAQHPNKTEC-UHFFFAOYSA-N 0 0 382.243 3.905 20 10 GHCDRN COc1ccc(C(=O)c2ccccc2Nc2ccc(C(N)=O)cc2OC)cc1 ZINC001215639468 1029319284 /nfs/dbraw/zinc/31/92/84/1029319284.db2.gz GVNRBCVJEPLKLB-UHFFFAOYSA-N 0 0 376.412 3.777 20 10 GHCDRN CC(C)(C)c1cc(O)c(O)c(CN2Cc3ccccc3C[C@H]2C(=O)NC2CC2)c1 ZINC000842625535 1029426559 /nfs/dbraw/zinc/42/65/59/1029426559.db2.gz OVSTXFIFVPKQBC-FQEVSTJZSA-N 0 0 394.515 3.601 20 10 GHCDRN COc1cc(N(C)S(=O)(=O)CCc2ccc(N)cc2)ccc1-c1ccccc1 ZINC001216006661 1029489028 /nfs/dbraw/zinc/48/90/28/1029489028.db2.gz VPKLULNGNPGFMG-UHFFFAOYSA-N 0 0 396.512 3.953 20 10 GHCDRN CCN(CC)c1ccc(CN[C@@H](C(=O)OC(C)(C)C)c2ccnn2C)cc1F ZINC000842774021 1029579470 /nfs/dbraw/zinc/57/94/70/1029579470.db2.gz DLAZRHVCMKQFIN-LJQANCHMSA-N 0 0 390.503 3.578 20 10 GHCDRN COc1cc(N(c2ccc(N)cc2)S(=O)(=O)c2ccc(C)cc2)cnc1F ZINC001216422241 1029633684 /nfs/dbraw/zinc/63/36/84/1029633684.db2.gz LYHDSSRSXUXMTP-UHFFFAOYSA-N 0 0 387.436 3.647 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@H](C)c3ccc4c(c3)OCO4)C2)cc1 ZINC000842872957 1029649894 /nfs/dbraw/zinc/64/98/94/1029649894.db2.gz DXQQQZXCSVGJJB-HZPDHXFCSA-N 0 0 383.444 3.597 20 10 GHCDRN CCOCc1nc(C)c(C(=O)OC[C@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000842874556 1029650820 /nfs/dbraw/zinc/65/08/20/1029650820.db2.gz MSHUHDPGCSQLOM-HNNXBMFYSA-N 0 0 390.505 3.680 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)c3ccc(O[C@@H]4CCOC4)cc3)C2)cc1 ZINC000842875638 1029651865 /nfs/dbraw/zinc/65/18/65/1029651865.db2.gz NHQOPGMLGQYCGL-VGOFRKELSA-N 0 0 397.471 3.546 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)[C@@H]3COCC[C@@H]3c3ccccc3)C2)cc1 ZINC000842876362 1029653907 /nfs/dbraw/zinc/65/39/07/1029653907.db2.gz XMSJIDAHCTXWDE-CDNPAEQRSA-N 0 0 395.499 3.885 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)c3c(C)onc3-c3ccncc3)C2)cc1 ZINC000842879938 1029658806 /nfs/dbraw/zinc/65/88/06/1029658806.db2.gz SWMZKNBPIBJAFZ-MRXNPFEDSA-N 0 0 393.443 3.737 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3cnc4c(cnn4C(C)C)c3)C2)cc1 ZINC000842882679 1029659832 /nfs/dbraw/zinc/65/98/32/1029659832.db2.gz YFFQDGAQGIRZBO-INIZCTEOSA-N 0 0 394.475 3.704 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1cc(Br)cc(Cl)c1[O-] ZINC000842887327 1029662910 /nfs/dbraw/zinc/66/29/10/1029662910.db2.gz YMSROECVFVQKLJ-RNCFNFMXSA-N 0 0 389.721 3.858 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1cc(Br)cc(Cl)c1[O-] ZINC000842887334 1029662991 /nfs/dbraw/zinc/66/29/91/1029662991.db2.gz YMSROECVFVQKLJ-ZANVPECISA-N 0 0 389.721 3.858 20 10 GHCDRN Cc1cc(C(=O)C[N@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000842935861 1029697865 /nfs/dbraw/zinc/69/78/65/1029697865.db2.gz ILOJAZZMGPQRFM-BTYIYWSLSA-N 0 0 382.504 3.936 20 10 GHCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)CCc1ccc2c(c1)OCO2 ZINC001142974003 1029743539 /nfs/dbraw/zinc/74/35/39/1029743539.db2.gz ADSTWYFDXUAKDF-GXXUPKGOSA-N 0 0 389.415 3.967 20 10 GHCDRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](c3nc(Cc4ccc(N)cc4)no3)C2)c1 ZINC000843161846 1029835692 /nfs/dbraw/zinc/83/56/92/1029835692.db2.gz PPUABHUVAOQOCE-GOSISDBHSA-N 0 0 390.487 3.879 20 10 GHCDRN Nc1ccc(Cc2noc([C@H]3CCCN(c4ncnc5sccc54)C3)n2)cc1 ZINC000843161991 1029835968 /nfs/dbraw/zinc/83/59/68/1029835968.db2.gz SHLPBCBWYLVKMV-AWEZNQCLSA-N 0 0 392.488 3.631 20 10 GHCDRN Cc1ccc([C@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)N2CCCC2)o1 ZINC001143106561 1029844255 /nfs/dbraw/zinc/84/42/55/1029844255.db2.gz MRKNUEOPOQMAOI-AWEZNQCLSA-N 0 0 386.473 3.781 20 10 GHCDRN COC(=O)c1ccc(NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c(OC)c1 ZINC001216714914 1029902089 /nfs/dbraw/zinc/90/20/89/1029902089.db2.gz HNSITEAMUQLXLW-OAHLLOKOSA-N 0 0 399.491 3.609 20 10 GHCDRN COc1cc([C@@H](C)NC(=O)NCc2c(O)cccc2F)ccc1OC(C)C ZINC001222185171 1029992134 /nfs/dbraw/zinc/99/21/34/1029992134.db2.gz ZNLMHSFIYXYBFR-CYBMUJFWSA-N 0 0 376.428 3.888 20 10 GHCDRN CC[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@H](O)c1ccccc1F ZINC001222191469 1029995395 /nfs/dbraw/zinc/99/53/95/1029995395.db2.gz IFXGXPRAYIJJBW-NHCUHLMSSA-N 0 0 383.467 3.513 20 10 GHCDRN CN1CCN(c2ccc(CN[C@@H](CCc3ccccc3)C(F)F)cc2F)CC1 ZINC001203136744 1029996667 /nfs/dbraw/zinc/99/66/67/1029996667.db2.gz SSDYWOFEMCZIEN-FQEVSTJZSA-N 0 0 391.481 3.934 20 10 GHCDRN C[C@H]1SCC[C@@H]1[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000843434640 1030007241 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381.467 3.848 20 10 GHCDRN Cc1cc(C(=O)NC[C@@H](O)COc2cccc(C)c2)c(C)n1-c1cccc(C)c1 ZINC001149569847 1030227539 /nfs/dbraw/zinc/22/75/39/1030227539.db2.gz LLJWVCYBFRXYFL-OAQYLSRUSA-N 0 0 392.499 3.881 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)CSC(F)(F)F)C2)cc1 ZINC001276832427 1030287312 /nfs/dbraw/zinc/28/73/12/1030287312.db2.gz ULOGHTBSNGZRKZ-CHWSQXEVSA-N 0 0 376.444 3.527 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 ZINC001149872214 1030334351 /nfs/dbraw/zinc/33/43/51/1030334351.db2.gz UQSBXPPVPILCMP-UHFFFAOYSA-N 0 0 389.377 3.928 20 10 GHCDRN O=C(NCCOc1ccc(C(F)(F)F)cc1)NCc1cc(Cl)ccc1O ZINC001223028336 1030398210 /nfs/dbraw/zinc/39/82/10/1030398210.db2.gz KCBFUDUPDSUNIB-UHFFFAOYSA-N 0 0 388.773 3.943 20 10 GHCDRN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ncsc1C1CC1 ZINC001150353955 1030502261 /nfs/dbraw/zinc/50/22/61/1030502261.db2.gz HNJIYGMLRIHMDF-OAHLLOKOSA-N 0 0 391.924 3.774 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001150378383 1030510945 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20 10 GHCDRN CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@@H]3COC(C)(C)CN3)cc2)cc1 ZINC001219204343 1031305426 /nfs/dbraw/zinc/30/54/26/1031305426.db2.gz ZFPNLADQXWNGBS-LYSGITKLSA-N 0 0 379.504 3.629 20 10 GHCDRN CN(C)c1ccc(CNC(=O)NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)cc1F ZINC001225304395 1031340348 /nfs/dbraw/zinc/34/03/48/1031340348.db2.gz XAPGOESUWWKSQJ-CRAIPNDOSA-N 0 0 377.410 3.740 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Nc1ccccc1[C@H]1CCC(=O)N1 ZINC001219669752 1031549514 /nfs/dbraw/zinc/54/95/14/1031549514.db2.gz BNLXNMPOSPGYSL-OAQYLSRUSA-N 0 0 392.503 3.902 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2CN(C)Cc3ccccc32)c1 ZINC001153609830 1031670122 /nfs/dbraw/zinc/67/01/22/1031670122.db2.gz RCBQQADVYOFUEC-HSZRJFAPSA-N 0 0 387.483 3.823 20 10 GHCDRN CCOc1cc(C(=O)OC)ccc1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001220063667 1031762367 /nfs/dbraw/zinc/76/23/67/1031762367.db2.gz YLRCDRMWDNEBIR-UHFFFAOYSA-N 0 0 397.475 3.794 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)Nc3ccc4c(c3)C[C@H](C)O4)C2)cc1 ZINC001220213320 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20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H](C)C(=O)NCc1ccccc1 ZINC001292093115 1043589764 /nfs/dbraw/zinc/58/97/64/1043589764.db2.gz OBINWBWDLGCPBI-LJQANCHMSA-N 0 0 389.499 3.837 20 10 GHCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2cccnc2Cl)cc1 ZINC001292382069 1043711389 /nfs/dbraw/zinc/71/13/89/1043711389.db2.gz LPRSOVVUHZVZOG-IBGZPJMESA-N 0 0 387.911 3.551 20 10 GHCDRN O=[N+]([O-])c1cc2c(cc1-c1nnc(-c3ccc(-n4cccc4)cc3)o1)OCCO2 ZINC001256946653 1043766827 /nfs/dbraw/zinc/76/68/27/1043766827.db2.gz FXCGZHFKOIUTES-UHFFFAOYSA-N 0 0 390.355 3.874 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H](c1nnc(-c2ccc(-n3cccc3)cc2)o1)C1COC1 ZINC001256965892 1043775374 /nfs/dbraw/zinc/77/53/74/1043775374.db2.gz MRHCQABISOHXQE-KRWDZBQOSA-N 0 0 396.447 3.740 20 10 GHCDRN CCc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CCC=C(C)C ZINC001292832818 1043904802 /nfs/dbraw/zinc/90/48/02/1043904802.db2.gz IYAQKCJZBLDSJP-UHFFFAOYSA-N 0 0 383.540 3.670 20 10 GHCDRN CCc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1C[C@@H]1CCOC[C@@H]1C ZINC001292834018 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378.472 3.893 20 10 GHCDRN CCN(c1nnc(-c2ccccn2)n1Cc1ccc(N(C)C)cc1C)C(C)C ZINC001295179911 1044940382 /nfs/dbraw/zinc/94/03/82/1044940382.db2.gz BBCIBHFVOOQFHV-UHFFFAOYSA-N 0 0 378.524 3.998 20 10 GHCDRN O=C(CCNc1ccccc1[N+](=O)[O-])NCc1ccc(N2CCCCC2)cc1 ZINC000742475897 1044966909 /nfs/dbraw/zinc/96/69/09/1044966909.db2.gz FAWYPLKJCRCDPU-UHFFFAOYSA-N 0 0 382.464 3.704 20 10 GHCDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCN(CC(F)F)C1 ZINC001307193948 1045028263 /nfs/dbraw/zinc/02/82/63/1045028263.db2.gz MXQGFCQTEJLPKA-AWEZNQCLSA-N 0 0 389.402 3.825 20 10 GHCDRN COCCn1cc(CNC(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)cn1 ZINC001296837657 1045386176 /nfs/dbraw/zinc/38/61/76/1045386176.db2.gz ITAQUCUUOFZDGJ-UHFFFAOYSA-N 0 0 394.519 3.990 20 10 GHCDRN CCO[C@@H]1CCCN(c2nnc(C(C)C)n2Cc2ccc(N(C)C)c(F)c2)C1 ZINC001296966681 1045410039 /nfs/dbraw/zinc/41/00/39/1045410039.db2.gz VACDZWSEHFQWSM-QGZVFWFLSA-N 0 0 389.519 3.660 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000743716233 1045424991 /nfs/dbraw/zinc/42/49/91/1045424991.db2.gz LOQMZSWXMBPSHA-UHFFFAOYSA-N 0 0 395.459 3.709 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@H](CO)[C@H]2C)c(C)n1-c1ccc(Br)cc1 ZINC001297076253 1045442867 /nfs/dbraw/zinc/44/28/67/1045442867.db2.gz OCJUFOJBRHOMRS-UKRRQHHQSA-N 0 0 391.309 3.700 20 10 GHCDRN Cc1cc(S(=O)(=O)NCc2ccc3c(c2)CCCN3C)c(Cl)cc1F ZINC001462930990 1070669154 /nfs/dbraw/zinc/66/91/54/1070669154.db2.gz PYGAHPUSECFSNI-UHFFFAOYSA-N 0 0 382.888 3.648 20 10 GHCDRN Cc1cc(CC(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F)c(C)n1-c1ccccc1 ZINC001297773777 1045618630 /nfs/dbraw/zinc/61/86/30/1045618630.db2.gz SCARJLZDIQMINA-OALUTQOASA-N 0 0 382.426 3.701 20 10 GHCDRN Cc1cc(C)c(CNS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c(O)c1 ZINC001260721261 1045628086 /nfs/dbraw/zinc/62/80/86/1045628086.db2.gz BOULVAZUOROFRG-UHFFFAOYSA-N 0 0 375.490 3.591 20 10 GHCDRN CC[C@@H](C)S(=O)(=O)N1CCN(c2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC001260739512 1045633502 /nfs/dbraw/zinc/63/35/02/1045633502.db2.gz KLMOOOFIBNOFNO-MRXNPFEDSA-N 0 0 399.516 3.745 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@H](OC(=O)N(C)C)C2)c(C)n1-c1ccc(Cl)cc1 ZINC001298260629 1045754662 /nfs/dbraw/zinc/75/46/62/1045754662.db2.gz GLNAKSLXSHYSKA-KRWDZBQOSA-N 0 0 389.883 3.660 20 10 GHCDRN CC[C@@H](C)CONC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC001298606369 1045891678 /nfs/dbraw/zinc/89/16/78/1045891678.db2.gz FDWXNQYOMFFVOY-DYTQJMLRSA-N 0 0 396.509 3.511 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)C3(Sc4ccccc4)CC3)C2)cc1 ZINC001261438698 1045998799 /nfs/dbraw/zinc/99/87/99/1045998799.db2.gz NKSIEOAIFHFYNU-KRWDZBQOSA-N 0 0 382.529 3.963 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)Cc3coc(-c4ccccc4)n3)C2)cc1 ZINC001261441713 1045999534 /nfs/dbraw/zinc/99/95/34/1045999534.db2.gz UANYHLHVCOPZMK-QGZVFWFLSA-N 0 0 391.471 3.535 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)NCCc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000745880878 1046065796 /nfs/dbraw/zinc/06/57/96/1046065796.db2.gz LBUKZDJABQVVBF-UHFFFAOYSA-N 0 0 382.464 3.578 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C[S@](C)=O)c2ccccc2)cc1 ZINC000746608845 1046144577 /nfs/dbraw/zinc/14/45/77/1046144577.db2.gz JREONVOMTYUZMD-IDISGSTGSA-N 0 0 380.513 3.944 20 10 GHCDRN COC(=O)[C@]1(OC)CCN(C(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C1 ZINC001301020173 1046293455 /nfs/dbraw/zinc/29/34/55/1046293455.db2.gz DMVIHLVBDSVNAP-QHCPKHFHSA-N 0 0 398.503 3.622 20 10 GHCDRN O=C(C[C@@H]1CCNc2ccccc21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001263111222 1046561213 /nfs/dbraw/zinc/56/12/13/1046561213.db2.gz WUFGAZBMZWUFTC-HKUYNNGSSA-N 0 0 380.488 3.889 20 10 GHCDRN CC(C)(O)[C@H]1CCCN(c2nnc(C3SC=CC3=O)n2Cc2ccccc2)C1 ZINC001263162965 1046602906 /nfs/dbraw/zinc/60/29/06/1046602906.db2.gz CRFKWZCEJGEDST-INIZCTEOSA-N 0 0 398.532 3.748 20 10 GHCDRN CC(C)Cn1c(C2SC=CC2=O)nnc1N1CC[C@H](C2CCOCC2)C1 ZINC001263419602 1046802904 /nfs/dbraw/zinc/80/29/04/1046802904.db2.gz NZMCKQZUNZRNLN-HNNXBMFYSA-N 0 0 376.526 3.621 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)NC[C@@H](C)c2ccncc2)CCCC1 ZINC001302116942 1046824122 /nfs/dbraw/zinc/82/41/22/1046824122.db2.gz ZBWFTZQRSPJVLI-MRXNPFEDSA-N 0 0 377.488 3.844 20 10 GHCDRN C[C@@H](NC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2)c1ccccc1O ZINC001302530124 1046966334 /nfs/dbraw/zinc/96/63/34/1046966334.db2.gz AUCYAQCBJQLVGO-NSPYISDASA-N 0 0 388.876 3.852 20 10 GHCDRN CC[C@H](C)Oc1cccc(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC001463169470 1070873246 /nfs/dbraw/zinc/87/32/46/1070873246.db2.gz SJGMPAZFTSDTGV-HNNXBMFYSA-N 0 0 390.505 3.518 20 10 GHCDRN Cc1cc(CC(=O)Nc2n[nH]c3c2COCC3)c(C)n1-c1ccc(Cl)cc1 ZINC001303552778 1047426581 /nfs/dbraw/zinc/42/65/81/1047426581.db2.gz NHNYUKUDWKWYDW-UHFFFAOYSA-N 0 0 384.867 3.725 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2csc(-c3ccn(C)n3)n2)cc1 ZINC001303616957 1047449883 /nfs/dbraw/zinc/44/98/83/1047449883.db2.gz OITFAZUZFFMVRD-UHFFFAOYSA-N 0 0 391.500 3.881 20 10 GHCDRN Cc1cc(N(C)C)ccc1Cn1c(C2CCC2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001304238233 1047622836 /nfs/dbraw/zinc/62/28/36/1047622836.db2.gz MXCLKWYYOPOYRD-KRWDZBQOSA-N 0 0 397.567 3.972 20 10 GHCDRN Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](C)CC1 ZINC001304238480 1047623446 /nfs/dbraw/zinc/62/34/46/1047623446.db2.gz RPROBAGDIKZUIR-FXAWDEMLSA-N 0 0 397.567 3.831 20 10 GHCDRN CN(C)c1ccc(CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000749271432 1047688255 /nfs/dbraw/zinc/68/82/55/1047688255.db2.gz FGXGARMAZVGCAO-UHFFFAOYSA-N 0 0 394.475 3.722 20 10 GHCDRN COC(=O)/C=C\c1ccc(N2C[C@H](c3ccccc3)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000749281652 1047689515 /nfs/dbraw/zinc/68/95/15/1047689515.db2.gz QVZLWRPDHGGJGH-DODJJOMTSA-N 0 0 382.416 3.747 20 10 GHCDRN O=C(Cc1ccsc1)N1CC2(C1)CCC[N@@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001279442390 1047809087 /nfs/dbraw/zinc/80/90/87/1047809087.db2.gz PPDJPLWRFGIXEK-UHFFFAOYSA-N 0 0 390.936 3.774 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)NCc2cccc(Cl)c2O)C1(C)C ZINC001305083653 1047885938 /nfs/dbraw/zinc/88/59/38/1047885938.db2.gz ABSDOFSBRKIKSN-TZMCWYRMSA-N 0 0 382.888 3.601 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NCc2cccc(Cl)c2O)C1(C)C ZINC001305083651 1047886204 /nfs/dbraw/zinc/88/62/04/1047886204.db2.gz ABSDOFSBRKIKSN-OCCSQVGLSA-N 0 0 382.888 3.601 20 10 GHCDRN CCc1c(C(=O)NCc2cccc(Cl)c2O)cnn1-c1ccc(OC)cc1 ZINC001305084022 1047887738 /nfs/dbraw/zinc/88/77/38/1047887738.db2.gz FCHYADVRDCATTJ-UHFFFAOYSA-N 0 0 385.851 3.732 20 10 GHCDRN CC[C@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(N(C)C)cc1C ZINC001305423377 1048042722 /nfs/dbraw/zinc/04/27/22/1048042722.db2.gz WYXOGGFCYZKVOU-RYQLBKOJSA-N 0 0 385.556 3.828 20 10 GHCDRN CC[C@H](C)CN(C)c1nnc(C2CC2)n1Cc1ccc(N2CCOCC2)cc1 ZINC001305582931 1048154886 /nfs/dbraw/zinc/15/48/86/1048154886.db2.gz AIKUSCPTXJVDMD-KRWDZBQOSA-N 0 0 383.540 3.523 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)NC[C@@H](OC)C2CCCC2)CCCC1 ZINC001280445917 1048218324 /nfs/dbraw/zinc/21/83/24/1048218324.db2.gz GVRXRTYBIFGATG-JOCHJYFZSA-N 0 0 384.520 3.850 20 10 GHCDRN CC(=O)Oc1ccc(C2=N/C(=C/c3ccc(N4CCCCC4)cc3)C(=O)O2)cc1 ZINC000727292038 1048236344 /nfs/dbraw/zinc/23/63/44/1048236344.db2.gz JUZFKKRHPIOTFK-RCCKNPSSSA-N 0 0 390.439 3.947 20 10 GHCDRN CCc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1Cc1nc(C)cs1 ZINC001306078215 1048395206 /nfs/dbraw/zinc/39/52/06/1048395206.db2.gz MJLRVILZSLADJB-UHFFFAOYSA-N 0 0 396.564 3.890 20 10 GHCDRN CC(C)Cc1nnc(N2CC[C@H](C)[C@H]2C)n1Cc1ccc(N2CCOCC2)cc1 ZINC001287403579 1048759172 /nfs/dbraw/zinc/75/91/72/1048759172.db2.gz OAYCASZTXBMUTN-RBUKOAKNSA-N 0 0 397.567 3.596 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3nsc4ccc(C)cc43)CC2)c(OC)c1 ZINC001287485602 1048791718 /nfs/dbraw/zinc/79/17/18/1048791718.db2.gz VKUNOMPOPCZYID-UHFFFAOYSA-N 0 0 397.500 3.584 20 10 GHCDRN CCCCCn1cc(Cn2c(C)nnc2N(C)Cc2ccccc2O)c(C)n1 ZINC001306656764 1048793368 /nfs/dbraw/zinc/79/33/68/1048793368.db2.gz TUUTXGWBCVMNAB-UHFFFAOYSA-N 0 0 382.512 3.672 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3c4ccccc4CN3C)ccc21 ZINC001287948139 1048954862 /nfs/dbraw/zinc/95/48/62/1048954862.db2.gz QVHJZBALYSQJDL-HSZRJFAPSA-N 0 0 391.515 3.821 20 10 GHCDRN 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380.922 3.697 20 10 GHCDRN CC(=O)c1cc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1C ZINC000847218523 1064915220 /nfs/dbraw/zinc/91/52/20/1064915220.db2.gz BBWWAJTWKGIPNY-MRXNPFEDSA-N 0 0 381.476 3.917 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(NCc3nccn3C)cc2)cc1 ZINC001464303328 1064948050 /nfs/dbraw/zinc/94/80/50/1064948050.db2.gz XQBIHXKUAUWRIW-UHFFFAOYSA-N 0 0 391.519 3.808 20 10 GHCDRN CCCNC(=O)CN(CCC)C(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001464339110 1064962147 /nfs/dbraw/zinc/96/21/47/1064962147.db2.gz OKHJRZGLXIDZMN-UHFFFAOYSA-N 0 0 397.519 3.593 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(C(F)F)cc1F ZINC000847304513 1065014352 /nfs/dbraw/zinc/01/43/52/1065014352.db2.gz SWZSEKWEERSPSS-UHFFFAOYSA-N 0 0 378.394 3.872 20 10 GHCDRN CN(Cc1ccc2c(c1)OC(F)(F)O2)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001300026716 1065052092 /nfs/dbraw/zinc/05/20/92/1065052092.db2.gz LUXWORZRXHJQDI-UHFFFAOYSA-N 0 0 393.367 3.906 20 10 GHCDRN CC[C@H](C)n1nccc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC001464599749 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1066302011 /nfs/dbraw/zinc/30/20/11/1066302011.db2.gz XXNMZLAGHSQYDL-UHFFFAOYSA-N 0 0 392.575 3.987 20 10 GHCDRN COc1cccc(CCNC(=O)Nc2c(-c3ccccn3)nc3ccccn32)c1 ZINC001466894063 1066374103 /nfs/dbraw/zinc/37/41/03/1066374103.db2.gz MEEHYRDXLDDYCY-UHFFFAOYSA-N 0 0 387.443 3.769 20 10 GHCDRN O=C(NCCc1cccc(F)c1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001466894292 1066374751 /nfs/dbraw/zinc/37/47/51/1066374751.db2.gz QIXFOWSOHIVVSH-UHFFFAOYSA-N 0 0 375.407 3.900 20 10 GHCDRN COc1ccc(N2CCN(C(=O)N[C@H](C)c3cc(C)oc3C)CC2)c(OC)c1 ZINC001477668478 1078517492 /nfs/dbraw/zinc/51/74/92/1078517492.db2.gz JGTRWEGPAIWJEC-OAHLLOKOSA-N 0 0 387.480 3.506 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1ncnn1-c1ccccc1 ZINC001467672122 1067410388 /nfs/dbraw/zinc/41/03/88/1067410388.db2.gz FCQMLAGQBPQBRM-UHFFFAOYSA-N 0 0 385.471 3.913 20 10 GHCDRN C[C@H](CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1)N1CCc2ccccc21 ZINC001477693923 1078529084 /nfs/dbraw/zinc/52/90/84/1078529084.db2.gz JQQRDWPEDOMKRK-LJQANCHMSA-N 0 0 392.547 3.879 20 10 GHCDRN C[C@@H](OC(C)(C)C)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCCO1 ZINC001358278452 1067463360 /nfs/dbraw/zinc/46/33/60/1067463360.db2.gz SOGQDFIMIFCUDO-NVXWUHKLSA-N 0 0 388.512 3.675 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C(=O)NCC(C)(C)C)cc1 ZINC001467839905 1067490316 /nfs/dbraw/zinc/49/03/16/1067490316.db2.gz GTKOKFNHLAIUQH-UHFFFAOYSA-N 0 0 389.492 3.584 20 10 GHCDRN C[C@H](NC(=O)NCc1c(O)cccc1F)c1nc2ccccc2n1C(F)F ZINC001467869263 1067507792 /nfs/dbraw/zinc/50/77/92/1067507792.db2.gz YGVGTHWGYOQFRF-JTQLQIEISA-N 0 0 378.354 3.837 20 10 GHCDRN Cc1ccc(-c2noc([C@@H](C)NC(=O)NCc3ccc(N(C)C)cc3)n2)cc1F ZINC001467968397 1067548796 /nfs/dbraw/zinc/54/87/96/1067548796.db2.gz NGVWRCNFCYPABN-CQSZACIVSA-N 0 0 397.454 3.811 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)cc1 ZINC001468121310 1067602100 /nfs/dbraw/zinc/60/21/00/1067602100.db2.gz IDAJJETXEKYUGI-RHSMWYFYSA-N 0 0 387.446 3.784 20 10 GHCDRN COCCOc1ccccc1CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001468177688 1067621651 /nfs/dbraw/zinc/62/16/51/1067621651.db2.gz RGEQAPJTXCXKOQ-SFHVURJKSA-N 0 0 399.535 3.517 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=S)NCCCCCCSC)C2)cc1 ZINC000849270743 1067782780 /nfs/dbraw/zinc/78/27/80/1067782780.db2.gz ODYKNHYJYAOJQR-MRXNPFEDSA-N 0 0 381.611 3.661 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NC[C@@H](CO)CC2CCCC2)cc1F ZINC001477846681 1078591500 /nfs/dbraw/zinc/59/15/00/1078591500.db2.gz OCEPSPGWMAEWEF-SFHVURJKSA-N 0 0 379.520 3.660 20 10 GHCDRN COc1cccc([C@H]2C(=O)N([C@@H](C)Cc3ccc(N(C)C)cc3C)C(=O)N2C)c1 ZINC000849356453 1067820945 /nfs/dbraw/zinc/82/09/45/1067820945.db2.gz GVAUACKAEJTMPP-KKSFZXQISA-N 0 0 395.503 3.636 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)NCc3nc4c(s3)CCC4)cc2)CC1 ZINC001468679134 1067821017 /nfs/dbraw/zinc/82/10/17/1067821017.db2.gz KYXOJWBHAPUWPU-UHFFFAOYSA-N 0 0 384.549 3.868 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](C)[C@H](O)c2ccccc2)c1 ZINC001468684052 1067823068 /nfs/dbraw/zinc/82/30/68/1067823068.db2.gz AIJGYHKWUBCLEN-AOMKIAJQSA-N 0 0 376.456 3.759 20 10 GHCDRN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)NCc1ccc(N(C)C)cc1C)C3 ZINC001477853280 1078595140 /nfs/dbraw/zinc/59/51/40/1078595140.db2.gz APIDSSZIAXRJLH-UHFFFAOYSA-N 0 0 392.503 3.819 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)NCCCNC(=O)OC(C)(C)C)cc1 ZINC001468710624 1067842651 /nfs/dbraw/zinc/84/26/51/1067842651.db2.gz VINOCSZZQKGKFJ-UHFFFAOYSA-N 0 0 392.544 3.589 20 10 GHCDRN Cc1cc(C(=O)Cn2nc3c(cc2=O)CCCC3)c(C)n1-c1ccc(C)cc1 ZINC000849482314 1067862241 /nfs/dbraw/zinc/86/22/41/1067862241.db2.gz RDXIGKVLYPIHFU-UHFFFAOYSA-N 0 0 375.472 3.721 20 10 GHCDRN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000763113091 1068063409 /nfs/dbraw/zinc/06/34/09/1068063409.db2.gz NEYWXLDRJRMXJR-HNNXBMFYSA-N 0 0 395.415 3.603 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CC(C)(C)c4ccccc43)C2)cc1 ZINC001469318618 1068098926 /nfs/dbraw/zinc/09/89/26/1068098926.db2.gz GNCHZAVIFLGZNH-IIBYNOLFSA-N 0 0 379.504 3.996 20 10 GHCDRN CCOC(=O)c1cc(NCc2cccc(Br)c2O)ccc1[N+](=O)[O-] ZINC000764934824 1068103558 /nfs/dbraw/zinc/10/35/58/1068103558.db2.gz NEBWDMOEICFUBO-UHFFFAOYSA-N 0 0 395.209 3.852 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000765771250 1068121575 /nfs/dbraw/zinc/12/15/75/1068121575.db2.gz XILWXCDCBVKJHT-UHFFFAOYSA-N 0 0 385.601 3.646 20 10 GHCDRN CN(C)Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)o1 ZINC001469614307 1068258408 /nfs/dbraw/zinc/25/84/08/1068258408.db2.gz ZJIBASHFGXDLAO-UHFFFAOYSA-N 0 0 383.414 3.612 20 10 GHCDRN CCC(F)(F)CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001478051762 1078692079 /nfs/dbraw/zinc/69/20/79/1078692079.db2.gz BQLFMGBAQMNXRC-GFCCVEGCSA-N 0 0 377.382 3.601 20 10 GHCDRN Cc1cc(CNC(=O)NCc2csc(N(C)C)n2)c(C)n1-c1cccc(C)c1 ZINC001478072380 1078702346 /nfs/dbraw/zinc/70/23/46/1078702346.db2.gz CAHNEVPVBGHDQG-UHFFFAOYSA-N 0 0 397.548 3.924 20 10 GHCDRN COc1ccc(N2CCN(C(=O)N[C@H]3CCC(C)(C)C[C@@H]3C)CC2)cc1F ZINC001478104297 1078720081 /nfs/dbraw/zinc/72/00/81/1078720081.db2.gz XCLLBOUWFVHFKH-YJBOKZPZSA-N 0 0 377.504 3.881 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)NCc2cc(F)c(F)cc2Br)c1 ZINC001470094271 1068569317 /nfs/dbraw/zinc/56/93/17/1068569317.db2.gz NLIMEHPNULNNGY-UHFFFAOYSA-N 0 0 385.208 3.741 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCCCC(F)(F)C3)C2)cc1 ZINC001470267345 1068655271 /nfs/dbraw/zinc/65/52/71/1068655271.db2.gz IZUUBUPQDYCZHT-HOTGVXAUSA-N 0 0 381.467 3.789 20 10 GHCDRN COc1ccc(N(C)CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC001460337603 1068931791 /nfs/dbraw/zinc/93/17/91/1068931791.db2.gz WRWGORQDELYXHT-UHFFFAOYSA-N 0 0 398.444 3.802 20 10 GHCDRN CC[C@@H](C(=O)Nc1ccc(C)cc1)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001460661058 1069066356 /nfs/dbraw/zinc/06/63/56/1069066356.db2.gz BRXLZJCBPTXPGP-FQEVSTJZSA-N 0 0 397.519 3.552 20 10 GHCDRN CC(=O)c1cc(Cl)cc(C[N@H+](C)C[C@@H]2CCN2C(=O)OC(C)(C)C)c1[O-] ZINC001460846514 1069215188 /nfs/dbraw/zinc/21/51/88/1069215188.db2.gz OZQVVFCLHDOFKQ-HNNXBMFYSA-N 0 0 382.888 3.689 20 10 GHCDRN C[C@H](NC(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC001478471296 1078881696 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Cc1cc(C(=O)CSc2nnc(N)n2C)c(C)n1-c1ccc(C(C)C)cc1 ZINC001472942753 1073731775 /nfs/dbraw/zinc/73/17/75/1073731775.db2.gz UPKANAIMPIRJEI-UHFFFAOYSA-N 0 0 383.521 3.903 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCCc1nc2c(s1)CCC2 ZINC001479259576 1079167908 /nfs/dbraw/zinc/16/79/08/1079167908.db2.gz LIDYJIGMQBIZKR-UHFFFAOYSA-N 0 0 384.549 3.616 20 10 GHCDRN CCOc1ccc(N2CCN([C@@H](CC)C(=O)N(C)c3ccc(C)cc3)CC2)cc1 ZINC001473297195 1073910209 /nfs/dbraw/zinc/91/02/09/1073910209.db2.gz WVFCFSAJYKXSEC-QHCPKHFHSA-N 0 0 395.547 3.957 20 10 GHCDRN C[C@H](NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)c1ccccc1O ZINC001473724933 1074108655 /nfs/dbraw/zinc/10/86/55/1074108655.db2.gz XBBMBILKBDXYHU-JTQLQIEISA-N 0 0 397.788 3.891 20 10 GHCDRN CCN(Cc1cc(Br)ccc1F)C(=O)Cc1ccc(O)c(O)c1 ZINC001546228860 1079242369 /nfs/dbraw/zinc/24/23/69/1079242369.db2.gz NVDBQSSBTVTIAN-UHFFFAOYSA-N 0 0 382.229 3.591 20 10 GHCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCCOC2)c1 ZINC001474203758 1074292720 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COc1cc(O)ccc1C(=O)Nc1ccc(NC(=O)Nc2ccc(N)cc2)cc1 ZINC001197181440 873617897 /nfs/dbraw/zinc/61/78/97/873617897.db2.gz ZZYXEYPDJLELCY-UHFFFAOYSA-N 0 0 392.415 3.879 20 10 GHCDRN COc1ncccc1CNS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197186777 873620621 /nfs/dbraw/zinc/62/06/21/873620621.db2.gz HYJDAXNZZJUHKD-GHVJWSGMSA-N 0 0 382.445 3.984 20 10 GHCDRN O=S(=O)(NC[C@H](O)c1cccc(O)c1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197187366 873621774 /nfs/dbraw/zinc/62/17/74/873621774.db2.gz CVKWGIPOQZYWNX-UTTYWZDOSA-N 0 0 397.456 3.820 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)C(C)(C)c1ccccc1 ZINC000102806589 873650157 /nfs/dbraw/zinc/65/01/57/873650157.db2.gz LDOYOOGDXZXEGG-SFHVURJKSA-N 0 0 381.520 3.689 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCOC4(CCOCC4)C3)c2C)cc1 ZINC000768946608 873670268 /nfs/dbraw/zinc/67/02/68/873670268.db2.gz CFJGPQCXFUSQSA-SFHVURJKSA-N 0 0 398.503 3.561 20 10 GHCDRN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc(F)ccc1F ZINC000768913204 873681508 /nfs/dbraw/zinc/68/15/08/873681508.db2.gz WNKMILIPCURTGS-OAHLLOKOSA-N 0 0 380.822 3.718 20 10 GHCDRN C[C@H](CCC1CC1)NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000768923322 873692976 /nfs/dbraw/zinc/69/29/76/873692976.db2.gz LVLDLLBVFDKKFE-PMPSAXMXSA-N 0 0 377.504 3.817 20 10 GHCDRN CN(CCOC(C)(C)C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000769124499 873826502 /nfs/dbraw/zinc/82/65/02/873826502.db2.gz BQUZGHVUSGKERQ-OAHLLOKOSA-N 0 0 399.482 3.713 20 10 GHCDRN CCOc1ccc(CN2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c(O)c1 ZINC000769149021 873850329 /nfs/dbraw/zinc/85/03/29/873850329.db2.gz XQVBRSKAVALRDR-UHFFFAOYSA-N 0 0 392.858 3.541 20 10 GHCDRN Cc1nc(C(=O)N(C)Cc2ccccc2O)nn1-c1c(Cl)cccc1Cl ZINC000102941423 873904412 /nfs/dbraw/zinc/90/44/12/873904412.db2.gz KRPUJJZMHCJJTH-UHFFFAOYSA-N 0 0 391.258 3.860 20 10 GHCDRN Oc1cc(Br)ccc1CNC(=S)NCc1ccc(Cl)cc1 ZINC001197595902 873931969 /nfs/dbraw/zinc/93/19/69/873931969.db2.gz AKIPDYZTZQMSSZ-UHFFFAOYSA-N 0 0 385.714 3.972 20 10 GHCDRN CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CCOC[C@@H]3C)c2C)cc1 ZINC000769264516 873933271 /nfs/dbraw/zinc/93/32/71/873933271.db2.gz KCSKGAQLDMEEDH-MGPUTAFESA-N 0 0 399.487 3.891 20 10 GHCDRN O=C(c1ccc(Cl)cc1F)N1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000769313488 873959117 /nfs/dbraw/zinc/95/91/17/873959117.db2.gz OIRNLIIIVDLDPK-UHFFFAOYSA-N 0 0 383.250 3.796 20 10 GHCDRN C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000769414862 874032622 /nfs/dbraw/zinc/03/26/22/874032622.db2.gz KVYQKOKEJSOKNO-ZJUUUORDSA-N 0 0 391.281 3.858 20 10 GHCDRN CCC(CC)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cccs1 ZINC000769715752 874248161 /nfs/dbraw/zinc/24/81/61/874248161.db2.gz DLCSENNMECLSBA-QGZVFWFLSA-N 0 0 396.534 3.733 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1cncn1-c1ccccn1 ZINC001198199611 874268236 /nfs/dbraw/zinc/26/82/36/874268236.db2.gz AUWLCMYVNPQNJF-HXUWFJFHSA-N 0 0 376.460 3.643 20 10 GHCDRN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)NCc2c(O)cccc2F)cc1 ZINC001198545836 874494941 /nfs/dbraw/zinc/49/49/41/874494941.db2.gz WLOZOEVQRBGRBY-AWEZNQCLSA-N 0 0 385.439 3.868 20 10 GHCDRN COCCOc1ccc(N2CCN(C(=S)Nc3cccc(C)c3)CC2)cc1 ZINC001198679315 874576141 /nfs/dbraw/zinc/57/61/41/874576141.db2.gz HQYXIVWWRAGZKG-UHFFFAOYSA-N 0 0 385.533 3.539 20 10 GHCDRN CCOc1ccnc(N2CCC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])CC2)n1 ZINC000770327382 874601762 /nfs/dbraw/zinc/60/17/62/874601762.db2.gz SUFZLNDUVDCALM-UHFFFAOYSA-N 0 0 397.306 3.600 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)OCc3cn(C)nc3C(F)F)ccc21 ZINC000770371871 874612835 /nfs/dbraw/zinc/61/28/35/874612835.db2.gz SMMPFSNPAUVMLH-UHFFFAOYSA-N 0 0 391.418 3.933 20 10 GHCDRN C/C(=C\C(=O)N1CCOc2c(Cl)cc(Br)cc21)c1cnccn1 ZINC001129477598 882846484 /nfs/dbraw/zinc/84/64/84/882846484.db2.gz OTSYLUNLJLDVNV-UXBLZVDNSA-N 0 0 394.656 3.721 20 10 GHCDRN CCO[C@@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000770347370 874634947 /nfs/dbraw/zinc/63/49/47/874634947.db2.gz UAFIOMBSTMSODA-GCJKJVERSA-N 0 0 397.519 3.661 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnccc1OCC1CCOCC1 ZINC001198846804 874652940 /nfs/dbraw/zinc/65/29/40/874652940.db2.gz CTQIBEATSZUDJU-UHFFFAOYSA-N 0 0 397.519 3.615 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@@H]2COC(=O)NC2CC2)cc1 ZINC001129482614 882852828 /nfs/dbraw/zinc/85/28/28/882852828.db2.gz SXSMWESFDAEVOK-OAQYLSRUSA-N 0 0 395.503 3.977 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccc(C(=O)OC(C)(C)C)cc3)CC2)cc1 ZINC000770575678 874763679 /nfs/dbraw/zinc/76/36/79/874763679.db2.gz SKVDXJGSWVKOGH-UHFFFAOYSA-N 0 0 396.487 3.613 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccncc1OCC(F)(F)F ZINC001199135770 874816396 /nfs/dbraw/zinc/81/63/96/874816396.db2.gz ZLXYVJBAGMGVTG-UHFFFAOYSA-N 0 0 381.398 3.751 20 10 GHCDRN CC(C)Oc1ccc(N(C)Cc2noc(CNC(=O)OC(C)(C)C)n2)cc1 ZINC000282024253 874973801 /nfs/dbraw/zinc/97/38/01/874973801.db2.gz KNJOLDSPRDOFCO-UHFFFAOYSA-N 0 0 376.457 3.518 20 10 GHCDRN O=C(Cc1noc(-c2ccc(-n3cccc3)c(F)c2)n1)NCCc1ccccc1 ZINC000770980845 874977599 /nfs/dbraw/zinc/97/75/99/874977599.db2.gz HEVAGGJQKRDDDB-UHFFFAOYSA-N 0 0 390.418 3.568 20 10 GHCDRN CC(C)[C@H]1CCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000775976942 875004034 /nfs/dbraw/zinc/00/40/34/875004034.db2.gz IDANIIMFXSNHKM-ADVGAGMGSA-N 0 0 394.587 3.986 20 10 GHCDRN CC(C)(C)c1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)no1 ZINC000771053068 875012916 /nfs/dbraw/zinc/01/29/16/875012916.db2.gz KHBHARXBYCHKSW-OAHLLOKOSA-N 0 0 391.899 3.726 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)c1cnn(Cc2ccccn2)c1 ZINC001199579576 875054108 /nfs/dbraw/zinc/05/41/08/875054108.db2.gz TWFWSJHSJDEOTQ-NRFANRHFSA-N 0 0 390.487 3.702 20 10 GHCDRN C[C@@H](NC(=O)N[C@@H](c1ccccn1)C1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000858160426 882896772 /nfs/dbraw/zinc/89/67/72/882896772.db2.gz VLEGYLDEKXDDMZ-VGOFRKELSA-N 0 0 394.519 3.820 20 10 GHCDRN CCOc1ccc(C2(C[NH2+]Cc3cc(F)cc(F)c3[O-])CCOCC2)cc1 ZINC001199677730 875117218 /nfs/dbraw/zinc/11/72/18/875117218.db2.gz FFNYOKUORQBHFQ-UHFFFAOYSA-N 0 0 377.431 3.907 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3ccc(OC)c4cccnc34)CC2)cc1 ZINC000771279074 875160761 /nfs/dbraw/zinc/16/07/61/875160761.db2.gz SKWVPFUXXOJSQF-UHFFFAOYSA-N 0 0 392.459 3.606 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)Nc1ccnc(OCC(F)(F)C(F)F)c1 ZINC000776023738 875170625 /nfs/dbraw/zinc/17/06/25/875170625.db2.gz IZPQHSYZULMEMD-UHFFFAOYSA-N 0 0 387.333 3.730 20 10 GHCDRN CCOC(=O)[C@@H](C)NC(=S)Nc1ccccc1C(=O)c1ccc(Cl)cc1 ZINC001199841701 875201953 /nfs/dbraw/zinc/20/19/53/875201953.db2.gz PVVBWLAIMKDNHU-GFCCVEGCSA-N 0 0 390.892 3.809 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)c(C)n1-c1cccc(Cl)c1 ZINC000771409410 875247815 /nfs/dbraw/zinc/24/78/15/875247815.db2.gz NBYPKCOLQCKUIZ-UTKZUKDTSA-N 0 0 388.895 3.815 20 10 GHCDRN Cc1cnc(Br)cc1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000776044556 875269218 /nfs/dbraw/zinc/26/92/18/875269218.db2.gz YFYSNXHUEPEALU-UHFFFAOYSA-N 0 0 391.269 3.649 20 10 GHCDRN CCn1c(-c2ccc(Br)cc2)cnc1SCc1nncn1C ZINC000771542875 875321567 /nfs/dbraw/zinc/32/15/67/875321567.db2.gz ZTUFZUSBZYGKLC-UHFFFAOYSA-N 0 0 378.299 3.753 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Br)nc1 ZINC000746513419 875442754 /nfs/dbraw/zinc/44/27/54/875442754.db2.gz ZYZFKPWDILTQQS-UHFFFAOYSA-N 0 0 376.298 3.961 20 10 GHCDRN CCCCc1nnc(NC(=O)CN(Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000771791269 875462853 /nfs/dbraw/zinc/46/28/53/875462853.db2.gz KTNAKLZWWVYXJA-UHFFFAOYSA-N 0 0 387.553 3.550 20 10 GHCDRN C[C@H](Oc1cccnc1NC(=O)NCCc1ccc(O)c(O)c1)c1ccccc1 ZINC000771821110 875494394 /nfs/dbraw/zinc/49/43/94/875494394.db2.gz OSYWTKVTUDKPAP-HNNXBMFYSA-N 0 0 393.443 3.997 20 10 GHCDRN C[C@@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1nc(Cc2ccccc2)no1 ZINC000776160474 875663370 /nfs/dbraw/zinc/66/33/70/875663370.db2.gz QKPLGRSDXWSDCM-HZPDHXFCSA-N 0 0 393.491 3.848 20 10 GHCDRN CC(=O)N1CCN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000772170046 875765981 /nfs/dbraw/zinc/76/59/81/875765981.db2.gz RXEBGRBGHHUBAV-INIZCTEOSA-N 0 0 393.491 3.861 20 10 GHCDRN CCOCc1cc(CNCc2cc(Br)cnc2OC)ccc1OC ZINC000858248736 882974931 /nfs/dbraw/zinc/97/49/31/882974931.db2.gz BIEMEISMPFLSKL-UHFFFAOYSA-N 0 0 395.297 3.688 20 10 GHCDRN C[C@@H](NC(=O)N1CCC(Oc2ncccc2F)CC1)c1ccc(N(C)C)cc1 ZINC000772406923 875913210 /nfs/dbraw/zinc/91/32/10/875913210.db2.gz OUPFBYQOWDFIPY-OAHLLOKOSA-N 0 0 386.471 3.601 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001201933717 875926107 /nfs/dbraw/zinc/92/61/07/875926107.db2.gz CXJXPWMOJXYBNK-FXAWDEMLSA-N 0 0 375.472 3.811 20 10 GHCDRN C[C@H](NC(=O)N1CCSC[C@H]1c1nccs1)c1ccc(N(C)C)cc1 ZINC000776239242 875998953 /nfs/dbraw/zinc/99/89/53/875998953.db2.gz SPKFVRXIGFWXBS-BBRMVZONSA-N 0 0 376.551 3.770 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(Oc3cnccn3)CC2)cc1 ZINC000785637715 876168718 /nfs/dbraw/zinc/16/87/18/876168718.db2.gz SEPSGBOPPDPDPX-UHFFFAOYSA-N 0 0 376.460 3.568 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1 ZINC000858298544 883007573 /nfs/dbraw/zinc/00/75/73/883007573.db2.gz RQPGJMVJBVALJA-ZDUSSCGKSA-N 0 0 384.411 3.759 20 10 GHCDRN COc1ncc(/C=C/C(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)cn1 ZINC000776306503 876231055 /nfs/dbraw/zinc/23/10/55/876231055.db2.gz JSMPXTLNMWBFQQ-RUDMXATFSA-N 0 0 380.835 3.780 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000106908017 876272982 /nfs/dbraw/zinc/27/29/82/876272982.db2.gz ZKVPQVKRPRHVEJ-UHFFFAOYSA-N 0 0 386.249 3.613 20 10 GHCDRN COc1cc(CNC(=O)c2cccc(O)c2O)ccc1OCc1ccccc1 ZINC000776328247 876276201 /nfs/dbraw/zinc/27/62/01/876276201.db2.gz QSUJYCNZTXKGHA-UHFFFAOYSA-N 0 0 379.412 3.615 20 10 GHCDRN C[C@H](CC(=O)NCc1ccc(N2CCCCC2)cc1)NC(=O)c1ccccc1 ZINC000116034459 883017960 /nfs/dbraw/zinc/01/79/60/883017960.db2.gz HBZBMFGIMALYQL-GOSISDBHSA-N 0 0 379.504 3.502 20 10 GHCDRN Cc1nn(C)c2nc(C)cc(C(=O)NCc3ccc(N4CCCCC4)cc3)c12 ZINC000116034216 883018509 /nfs/dbraw/zinc/01/85/09/883018509.db2.gz JSTCDQZDXJGTRP-UHFFFAOYSA-N 0 0 377.492 3.505 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)O[C@](C)(CC)O2 ZINC000785995214 876397511 /nfs/dbraw/zinc/39/75/11/876397511.db2.gz TUTDUVGVJNMQIA-JOCHJYFZSA-N 0 0 398.459 3.667 20 10 GHCDRN C[C@H](Cc1ccccc1)NC(=S)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000786066783 876411366 /nfs/dbraw/zinc/41/13/66/876411366.db2.gz GVFLMMKAWMPGCR-MSOLQXFVSA-N 0 0 383.561 3.680 20 10 GHCDRN CC[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000786032362 876418053 /nfs/dbraw/zinc/41/80/53/876418053.db2.gz GQCYKOSSQVAZCB-FQEVSTJZSA-N 0 0 399.922 3.824 20 10 GHCDRN CCOc1ccc([C@@H](C)NC(=O)COc2ccc(N3CCCC3)cc2)cc1OC ZINC000152005033 876473811 /nfs/dbraw/zinc/47/38/11/876473811.db2.gz XHLHIIBWRUYPIO-QGZVFWFLSA-N 0 0 398.503 3.950 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)CC[C@@H]2Cc3ccccc3NC2=O)C2CC2)cc1 ZINC000914439135 883034327 /nfs/dbraw/zinc/03/43/27/883034327.db2.gz FZCPJFSZFBLYOQ-LJQANCHMSA-N 0 0 391.515 3.835 20 10 GHCDRN CN(C)c1ccc(CNC(=O)CSc2ncc(-c3ccccc3)n2C)cc1 ZINC000007105685 876525874 /nfs/dbraw/zinc/52/58/74/876525874.db2.gz ZRVQZYHIUJPDPL-UHFFFAOYSA-N 0 0 380.517 3.562 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cccnc1-c1cnn(C)c1 ZINC000786208126 876528500 /nfs/dbraw/zinc/52/85/00/876528500.db2.gz LWYLRKRQXOOPGE-UHFFFAOYSA-N 0 0 392.507 3.991 20 10 GHCDRN C[C@@H](Sc1ncc(Cl)s1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000849999790 876584780 /nfs/dbraw/zinc/58/47/80/876584780.db2.gz YCJICONMVXXXBV-VHSXEESVSA-N 0 0 384.910 3.926 20 10 GHCDRN COC(=O)c1oc(C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)cc1C ZINC000858352872 883042999 /nfs/dbraw/zinc/04/29/99/883042999.db2.gz GUDZNGDLXQTYCO-UHFFFAOYSA-N 0 0 396.443 3.876 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)Cn1nnn(-c2ccccc2)c1=S ZINC000007317268 876725838 /nfs/dbraw/zinc/72/58/38/876725838.db2.gz DYBPGGHHKRCXHK-UHFFFAOYSA-N 0 0 394.548 3.878 20 10 GHCDRN Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])cc1 ZINC000786580562 876768757 /nfs/dbraw/zinc/76/87/57/876768757.db2.gz BNSYHNIAVIECRK-GXTWGEPZSA-N 0 0 382.273 3.856 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NCC2N=NC(=S)N2C)cc1 ZINC000772687715 876924789 /nfs/dbraw/zinc/92/47/89/876924789.db2.gz HMDICDYQBDNKJB-UHFFFAOYSA-N 0 0 395.492 3.515 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)c(C)n1-c1ccccc1C ZINC000747199356 883080109 /nfs/dbraw/zinc/08/01/09/883080109.db2.gz ZXUOFIBLODZOSZ-MRXNPFEDSA-N 0 0 379.426 3.769 20 10 GHCDRN COc1ncc(/C=C\C(=O)N2CCCc3ccc(C)c(Br)c32)cn1 ZINC001129685595 883094257 /nfs/dbraw/zinc/09/42/57/883094257.db2.gz BOJUKJIUGYKZOF-VURMDHGXSA-N 0 0 388.265 3.549 20 10 GHCDRN O=C(NCCCSc1nccs1)C1(OCc2ccccc2)CCOCC1 ZINC000772693591 877141855 /nfs/dbraw/zinc/14/18/55/877141855.db2.gz PIRQHLNWYLSJAJ-UHFFFAOYSA-N 0 0 392.546 3.508 20 10 GHCDRN C/C(=C/C(=O)N1CCCc2c(Br)c(F)cc(F)c21)c1cnccn1 ZINC001129692967 883100397 /nfs/dbraw/zinc/10/03/97/883100397.db2.gz SOHGFSRGRLPNPX-YFHOEESVSA-N 0 0 394.219 3.900 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NC[C@@H](c3cccnc3)C(C)C)CC2)cc1 ZINC000175479896 877204382 /nfs/dbraw/zinc/20/43/82/877204382.db2.gz YLKOVHQZUKGBLC-JOCHJYFZSA-N 0 0 396.535 3.752 20 10 GHCDRN O=C(NCc1ccccc1O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000787129644 877207019 /nfs/dbraw/zinc/20/70/19/877207019.db2.gz 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O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000180723190 879253942 /nfs/dbraw/zinc/25/39/42/879253942.db2.gz LJIABQLVIHBOKC-DXWDOBMASA-N 0 0 375.371 3.906 20 10 GHCDRN Cc1nc(CC2CC2)oc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000789751521 879262902 /nfs/dbraw/zinc/26/29/02/879262902.db2.gz KFPSRGIEZAKUAM-FQEVSTJZSA-N 0 0 397.519 3.823 20 10 GHCDRN COc1ccc(N2CCN(C(=O)CCOc3ccc(C(C)C)cc3)CC2)cc1 ZINC001127276376 879269366 /nfs/dbraw/zinc/26/93/66/879269366.db2.gz SFNVFORPUGSNGN-UHFFFAOYSA-N 0 0 382.504 3.936 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H](CC1CC1)c1ccccc1 ZINC000853790211 879286030 /nfs/dbraw/zinc/28/60/30/879286030.db2.gz BYWJRVGUKORHPQ-QHCPKHFHSA-N 0 0 393.531 3.988 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000789835509 879294117 /nfs/dbraw/zinc/29/41/17/879294117.db2.gz JQCGKYLGGDCKKR-ZDUSSCGKSA-N 0 0 395.415 3.696 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)cc1 ZINC000853817258 879305177 /nfs/dbraw/zinc/30/51/77/879305177.db2.gz BQPIMZCKYLCCAS-GFCCVEGCSA-N 0 0 390.827 3.657 20 10 GHCDRN CN(c1ccccc1)[C@H]1CCN(C(=O)NCCCSc2nccs2)C1 ZINC000853858172 879335228 /nfs/dbraw/zinc/33/52/28/879335228.db2.gz LKLSQHFXLNZUNL-INIZCTEOSA-N 0 0 376.551 3.546 20 10 GHCDRN O=C(NCCCSc1nccs1)NCc1cc(F)ccc1OC(F)F ZINC000853857356 879335351 /nfs/dbraw/zinc/33/53/51/879335351.db2.gz ADZNFMQUYHFSKE-UHFFFAOYSA-N 0 0 391.440 3.865 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H](c1ccccc1)C(C)C ZINC000789898958 879345815 /nfs/dbraw/zinc/34/58/15/879345815.db2.gz QJDJUPFNOMIXOO-FQEVSTJZSA-N 0 0 382.504 3.687 20 10 GHCDRN CC[C@H](C)Oc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccn1 ZINC000180808974 879366890 /nfs/dbraw/zinc/36/68/90/879366890.db2.gz HPNAAOOETPDOFD-QFBILLFUSA-N 0 0 384.476 3.786 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1cc(C(F)(F)F)cc(Cl)n1 ZINC000789985748 879378650 /nfs/dbraw/zinc/37/86/50/879378650.db2.gz IJDGEVVQGRSWTN-UHFFFAOYSA-N 0 0 399.800 3.788 20 10 GHCDRN O=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1c(F)ccc(O)c1O ZINC000789996915 879387154 /nfs/dbraw/zinc/38/71/54/879387154.db2.gz UOKJHXBVOHTLLO-UHFFFAOYSA-N 0 0 398.365 3.558 20 10 GHCDRN CCCCc1c(Cl)nc(N)nc1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000853957942 879401379 /nfs/dbraw/zinc/40/13/79/879401379.db2.gz SHGDXLDKKUFIRM-UHFFFAOYSA-N 0 0 389.931 3.628 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000790164075 879502400 /nfs/dbraw/zinc/50/24/00/879502400.db2.gz JIWFHPNTVCRZJD-HSZRJFAPSA-N 0 0 379.504 3.570 20 10 GHCDRN CC(C)[C@H]1CCCN1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000139055145 879562414 /nfs/dbraw/zinc/56/24/14/879562414.db2.gz XWQUNHDEKMSZHH-GPMSIDNRSA-N 0 0 377.504 3.769 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccccc3OC(F)F)C2)cc1 ZINC000854186077 879616730 /nfs/dbraw/zinc/61/67/30/879616730.db2.gz RJRZNCNKVZWWIE-CYBMUJFWSA-N 0 0 377.391 3.697 20 10 GHCDRN CNc1ccc(C(F)(F)F)cc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000854199166 879623362 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O=C(CCCc1nc(C2CC2)no1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000854514894 879873473 /nfs/dbraw/zinc/87/34/73/879873473.db2.gz LLUGQHMYTKQNLI-UHFFFAOYSA-N 0 0 388.431 3.618 20 10 GHCDRN Oc1cc2c(cc1CNc1ccc3c(c1)N(CC(F)F)CCS3)OCO2 ZINC000790613169 879886480 /nfs/dbraw/zinc/88/64/80/879886480.db2.gz IOBSCKXGLGXBOH-UHFFFAOYSA-N 0 0 380.416 3.910 20 10 GHCDRN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000031727372 879939902 /nfs/dbraw/zinc/93/99/02/879939902.db2.gz JIXMAPYFEFSSHB-UHFFFAOYSA-N 0 0 391.519 3.614 20 10 GHCDRN Cc1cc(CC(=O)N2CCC[C@@H](CC(C)(C)C(N)=O)C2)c(C)n1-c1ccccc1 ZINC000854743055 880034359 /nfs/dbraw/zinc/03/43/59/880034359.db2.gz HMQVTCUKPVLQTK-IBGZPJMESA-N 0 0 395.547 3.777 20 10 GHCDRN Cc1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)c(OCC(F)(F)F)c1 ZINC000181179605 880062365 /nfs/dbraw/zinc/06/23/65/880062365.db2.gz LIYFQMOJDFMKDX-QPJJXVBHSA-N 0 0 381.350 3.677 20 10 GHCDRN O=C(NCc1ccn(Cc2ccccc2)n1)NCc1c(O)ccc2c1CCCC2 ZINC000790928638 880068758 /nfs/dbraw/zinc/06/87/58/880068758.db2.gz 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COc1ccc(N2CC[C@@H](NC(=O)C[C@H](C)Cc3ccccc3OC)C2)cc1 ZINC000855232016 880376463 /nfs/dbraw/zinc/37/64/63/880376463.db2.gz PSEULIWTFDILOE-IEBWSBKVSA-N 0 0 382.504 3.668 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cccc(C)c3Br)C2)cc1 ZINC000855231492 880377021 /nfs/dbraw/zinc/37/70/21/880377021.db2.gz APZHNLGNWNSIBF-CQSZACIVSA-N 0 0 389.293 3.775 20 10 GHCDRN CC[C@H](CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccc(OC)cc1 ZINC000855233636 880377678 /nfs/dbraw/zinc/37/76/78/880377678.db2.gz JNHVQSUKBMRSBN-MJGOQNOKSA-N 0 0 382.504 3.983 20 10 GHCDRN CC(C)CCc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000747017467 880455949 /nfs/dbraw/zinc/45/59/49/880455949.db2.gz LHDLJNUVHBPOGW-UHFFFAOYSA-N 0 0 393.531 3.913 20 10 GHCDRN CO[C@@H]1CCC[C@@H]([C@@H](CO)NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000855349623 880473330 /nfs/dbraw/zinc/47/33/30/880473330.db2.gz LEOQFZFHZIJNSB-SYYKKAFVSA-N 0 0 384.520 3.698 20 10 GHCDRN CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000776809796 880491045 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20 10 GHCDRN CC(C)(C)CN(CC(C)(C)C)C(=O)C(=O)NCCCSc1nccs1 ZINC000806277406 884531801 /nfs/dbraw/zinc/53/18/01/884531801.db2.gz BBCMPMHGOFPQQO-UHFFFAOYSA-N 0 0 385.599 3.662 20 10 GHCDRN COCc1ccccc1CNC(=O)CSc1ncc(-c2ccccc2)n1C ZINC000127577145 884535561 /nfs/dbraw/zinc/53/55/61/884535561.db2.gz CRKROXDCNVPPHK-UHFFFAOYSA-N 0 0 381.501 3.642 20 10 GHCDRN C[C@H](NC(=O)C(=O)N[C@H](CC1CC1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000806295359 884576360 /nfs/dbraw/zinc/57/63/60/884576360.db2.gz PBXCPZOBLLNHDX-HRAATJIYSA-N 0 0 379.504 3.587 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC[C@H]([C@H]3CCOC3)C2)ccc1C ZINC000860342566 884578963 /nfs/dbraw/zinc/57/89/63/884578963.db2.gz UGJOOVSJVFRWIP-PMACEKPBSA-N 0 0 380.488 3.714 20 10 GHCDRN COc1ccc2c(c1)CC[C@H]2C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000860346570 884581925 /nfs/dbraw/zinc/58/19/25/884581925.db2.gz DWLIBFALDILJAT-TZIWHRDSSA-N 0 0 381.472 3.638 20 10 GHCDRN CC(=O)c1ccc(NC(=O)NCc2cc(Br)ccc2O)cc1C ZINC000806370752 884648827 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Cc1cccc([C@@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1C ZINC000806848538 885025135 /nfs/dbraw/zinc/02/51/35/885025135.db2.gz DOVTXHXUOUHHTF-GOSISDBHSA-N 0 0 393.531 3.738 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000806819260 885032199 /nfs/dbraw/zinc/03/21/99/885032199.db2.gz CJHORGNDVOTVLO-SFHVURJKSA-N 0 0 395.425 3.613 20 10 GHCDRN CC[C@@H](OC(=O)c1cc(C)n(-c2ccccn2)c1C)C(=O)NCc1ccccc1 ZINC000914906599 885143496 /nfs/dbraw/zinc/14/34/96/885143496.db2.gz NSQUQMRIRMCEJS-HXUWFJFHSA-N 0 0 391.471 3.741 20 10 GHCDRN COC[C@H](C)n1ccc(NC(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)n1 ZINC000861004595 885157922 /nfs/dbraw/zinc/15/79/22/885157922.db2.gz CVZHQBYMOVXHTK-INIZCTEOSA-N 0 0 394.475 3.871 20 10 GHCDRN Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc(F)c2)c(C)n1-c1ccccn1 ZINC000914908282 885160034 /nfs/dbraw/zinc/16/00/34/885160034.db2.gz ZXVLVTOCJIVGQZ-OAHLLOKOSA-N 0 0 381.407 3.812 20 10 GHCDRN Cc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(Cl)cc1F ZINC000806986594 885170354 /nfs/dbraw/zinc/17/03/54/885170354.db2.gz IMDMWOYDFJCPTM-GFCCVEGCSA-N 0 0 377.847 3.669 20 10 GHCDRN O=C(c1c(Cl)nc2ccccn21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000117975086 885233319 /nfs/dbraw/zinc/23/33/19/885233319.db2.gz PLPIRTGGFBWJCD-HNNXBMFYSA-N 0 0 385.851 3.515 20 10 GHCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCCOC(C)(C)C)cc1 ZINC000795855433 912913654 /nfs/dbraw/zinc/91/36/54/912913654.db2.gz KCSROYSLAHMRKM-HXUWFJFHSA-N 0 0 376.541 3.856 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@H]2CC(C)(C)OC2=O)cc1 ZINC000762039562 885256202 /nfs/dbraw/zinc/25/62/02/885256202.db2.gz NBGNICVQGILKIW-SFHVURJKSA-N 0 0 380.448 3.992 20 10 GHCDRN CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807140089 885258255 /nfs/dbraw/zinc/25/82/55/885258255.db2.gz JRNOHNLGXQISJE-APWZRJJASA-N 0 0 390.528 3.512 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@H](O)C(C)(C)C3)cc2Cl)C1 ZINC000807209354 885297532 /nfs/dbraw/zinc/29/75/32/885297532.db2.gz ILYLYSRCXSVDJM-BEFAXECRSA-N 0 0 393.959 3.879 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(C(=O)NC)cc2OC)cc1 ZINC000861347549 885419964 /nfs/dbraw/zinc/41/99/64/885419964.db2.gz POIJYTPNUMYYEX-UHFFFAOYSA-N 0 0 398.507 3.565 20 10 GHCDRN CC[C@H](NC(=O)N[C@H](C)c1cc(OC)ccc1O)c1ccc(OC)c(OC)c1 ZINC000807444299 885476689 /nfs/dbraw/zinc/47/66/89/885476689.db2.gz BKCBYGVHQIPNQZ-DYVFJYSZSA-N 0 0 388.464 3.930 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)c3cnn(CCF)c3)cc2Cl)C1 ZINC000807477165 885501648 /nfs/dbraw/zinc/50/16/48/885501648.db2.gz RNQLGBJLYZMDEQ-CQSZACIVSA-N 0 0 378.879 3.672 20 10 GHCDRN CCc1cc(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)n(C)n1 ZINC000807476671 885502087 /nfs/dbraw/zinc/50/20/87/885502087.db2.gz IWHMGCCSXMVLRR-UHFFFAOYSA-N 0 0 376.420 3.975 20 10 GHCDRN Cc1ccncc1[C@H](C)NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000807579301 885545840 /nfs/dbraw/zinc/54/58/40/885545840.db2.gz NESVIGLAOCWDTF-KRWDZBQOSA-N 0 0 395.503 3.634 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccc(-n3ccnn3)cc2)cc1F ZINC000731399038 885603696 /nfs/dbraw/zinc/60/36/96/885603696.db2.gz OILAQFNWGYGXKT-UHFFFAOYSA-N 0 0 382.443 3.574 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)C3(c4cccc(OC)c4)CCCC3)C2)cc1 ZINC001131030244 885619567 /nfs/dbraw/zinc/61/95/67/885619567.db2.gz NDVKNIQTOJVISJ-IBGZPJMESA-N 0 0 394.515 3.911 20 10 GHCDRN C[C@H](NC(=O)C(=O)N1CC(C)(C)[C@@H]1c1ccccc1)c1ccc(N(C)C)cc1 ZINC000807677189 885626465 /nfs/dbraw/zinc/62/64/65/885626465.db2.gz MNTNBVPVTPJQCO-JXFKEZNVSA-N 0 0 379.504 3.540 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)Nc1ccc2occc2c1 ZINC000861545955 885627488 /nfs/dbraw/zinc/62/74/88/885627488.db2.gz IRWGGOLIIYQFEP-UHFFFAOYSA-N 0 0 387.386 3.869 20 10 GHCDRN COCCOCc1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000861568675 885653077 /nfs/dbraw/zinc/65/30/77/885653077.db2.gz FRCDXNYEOQNPSI-UHFFFAOYSA-N 0 0 384.476 3.756 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCC[C@H]2[C@@H]2CCCO2)ccc1C ZINC000861588260 885668134 /nfs/dbraw/zinc/66/81/34/885668134.db2.gz CIGXUKGVLNOPAV-UNMCSNQZSA-N 0 0 380.488 3.999 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC[C@@H]2c2nc(C)no2)c1 ZINC000861693677 885770678 /nfs/dbraw/zinc/77/06/78/885770678.db2.gz WVKXTLCTXDZBFN-LJQANCHMSA-N 0 0 378.432 3.575 20 10 GHCDRN CN(C[C@H]1CC1(C)C)C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O ZINC001184071918 912975236 /nfs/dbraw/zinc/97/52/36/912975236.db2.gz IMACFENUURUFHK-GDBMZVCRSA-N 0 0 376.497 3.853 20 10 GHCDRN C[C@H](c1ccccc1)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000193378270 885856610 /nfs/dbraw/zinc/85/66/10/885856610.db2.gz XSIGBUSGKYFTDX-MRXNPFEDSA-N 0 0 385.483 3.689 20 10 GHCDRN CCCOc1ccc(NC(=O)C(=O)N(CCC)Cc2ccccc2O)cc1F ZINC000861819867 885893168 /nfs/dbraw/zinc/89/31/68/885893168.db2.gz QDQZSENTQKCGHM-UHFFFAOYSA-N 0 0 388.439 3.697 20 10 GHCDRN CC(C)c1cc(Cl)ccc1NC(=O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000861830629 885904672 /nfs/dbraw/zinc/90/46/72/885904672.db2.gz AUIXEYVVADTOIX-GFCCVEGCSA-N 0 0 390.867 3.561 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2C[C@@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000861843727 885920928 /nfs/dbraw/zinc/92/09/28/885920928.db2.gz DASLKJKSKZZZDT-GGAORHGYSA-N 0 0 378.472 3.690 20 10 GHCDRN CC(=O)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C(C)C)cc1 ZINC000808012478 885934905 /nfs/dbraw/zinc/93/49/05/885934905.db2.gz PHGGEIZSBUUACO-UHFFFAOYSA-N 0 0 380.469 3.759 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC(C)(C)[C@@H]2c2nccn2C)c1 ZINC000861865696 885935847 /nfs/dbraw/zinc/93/58/47/885935847.db2.gz GMUOMZVUPMGLRE-FQEVSTJZSA-N 0 0 390.487 3.863 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)NC[C@@H](O)c3ccc(F)cc3)c2C)cc1 ZINC000762306457 885977021 /nfs/dbraw/zinc/97/70/21/885977021.db2.gz WPCCBNGDVJOACQ-OAQYLSRUSA-N 0 0 382.435 3.705 20 10 GHCDRN Cc1c(C)n(C)c2ccc(OS(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)cc12 ZINC001212202560 886007854 /nfs/dbraw/zinc/00/78/54/886007854.db2.gz SEDGIVWOLCCJIA-UHFFFAOYSA-N 0 0 388.445 3.655 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1ccc(C)c(Br)c1 ZINC000808094880 886012148 /nfs/dbraw/zinc/01/21/48/886012148.db2.gz IPXDGWMCJFVRET-UHFFFAOYSA-N 0 0 383.282 3.808 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(OC)ccc1Br ZINC000808094313 886012248 /nfs/dbraw/zinc/01/22/48/886012248.db2.gz JNURRYNUSSEXAQ-UHFFFAOYSA-N 0 0 385.254 3.579 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC000862039636 886073627 /nfs/dbraw/zinc/07/36/27/886073627.db2.gz JKVISWQGSADOPF-UHFFFAOYSA-N 0 0 382.460 3.681 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2ccc(O)cc2)cc1 ZINC000919654200 886074576 /nfs/dbraw/zinc/07/45/76/886074576.db2.gz GAZMVUCJSROLEA-UHFFFAOYSA-N 0 0 379.460 3.963 20 10 GHCDRN Oc1cc2c(cc1CN1CCO[C@@H](c3cccc(OC(F)(F)F)c3)C1)OCO2 ZINC000808232957 886162004 /nfs/dbraw/zinc/16/20/04/886162004.db2.gz ZYMMPKAOQCVCIV-GOSISDBHSA-N 0 0 397.349 3.593 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@H](C)c2ccccn2)cc1 ZINC000862154291 886170531 /nfs/dbraw/zinc/17/05/31/886170531.db2.gz IWKCYJSHVJLPGY-INIZCTEOSA-N 0 0 375.472 3.764 20 10 GHCDRN O=C(Cc1cc(Cl)cc(Cl)c1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000862226124 886222376 /nfs/dbraw/zinc/22/23/76/886222376.db2.gz SJQLRPQUEQQENS-UHFFFAOYSA-N 0 0 393.314 3.813 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCO[C@H](CC(F)(F)F)C2)c1 ZINC000862233474 886231614 /nfs/dbraw/zinc/23/16/14/886231614.db2.gz MHCJASFLTMYTQF-GOSISDBHSA-N 0 0 394.393 3.700 20 10 GHCDRN Cc1cc(=O)[nH]c2cc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)ccc12 ZINC000808305152 886235912 /nfs/dbraw/zinc/23/59/12/886235912.db2.gz HRNDVCXRSYZMPR-MRXNPFEDSA-N 0 0 391.471 3.576 20 10 GHCDRN Cc1cc(=O)[nH]c2cc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)ccc12 ZINC000808305151 886236098 /nfs/dbraw/zinc/23/60/98/886236098.db2.gz HRNDVCXRSYZMPR-INIZCTEOSA-N 0 0 391.471 3.576 20 10 GHCDRN COc1ccc(N2CCN(Cc3cc(C)c(Br)cn3)CC2)cc1F ZINC000862252650 886254708 /nfs/dbraw/zinc/25/47/08/886254708.db2.gz VUDOXMYGOREWAF-UHFFFAOYSA-N 0 0 394.288 3.622 20 10 GHCDRN COC[C@H](NC(=O)N[C@@H](C)c1cc(OC)ccc1O)c1cccc(Cl)c1 ZINC000808372588 886286977 /nfs/dbraw/zinc/28/69/77/886286977.db2.gz HWJWEXCLMCVCOQ-SJCJKPOMSA-N 0 0 378.856 3.802 20 10 GHCDRN CN(C)c1ccc(CN[C@@H](c2cnn(C)c2)C(F)(F)F)c(C(F)(F)F)c1 ZINC000862365068 886323900 /nfs/dbraw/zinc/32/39/00/886323900.db2.gz LTGOUGARIAPQES-AWEZNQCLSA-N 0 0 380.336 3.898 20 10 GHCDRN OC[C@@H]1CCC2(CCOCC2)C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC001184115968 913034039 /nfs/dbraw/zinc/03/40/39/913034039.db2.gz QYCYCWOARAUJHJ-NRFANRHFSA-N 0 0 397.515 3.725 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000919780713 886352630 /nfs/dbraw/zinc/35/26/30/886352630.db2.gz LLEJZDKACPXCNR-UHFFFAOYSA-N 0 0 382.464 3.578 20 10 GHCDRN Cc1c(NCc2c(O)ccc(Cl)c2F)cccc1N1C(=O)N[C@@H](C)C1=O ZINC000808446362 886356744 /nfs/dbraw/zinc/35/67/44/886356744.db2.gz FXSIXDKNULPYME-JTQLQIEISA-N 0 0 377.803 3.550 20 10 GHCDRN C[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)COCc1ccccc1 ZINC000919798262 886402079 /nfs/dbraw/zinc/40/20/79/886402079.db2.gz AABGSBWNZPMTCN-LJQANCHMSA-N 0 0 381.520 3.939 20 10 GHCDRN CC(=O)C(=O)COC(=O)c1sc2cccc(F)c2c1COc1ccccc1 ZINC000808494268 886405783 /nfs/dbraw/zinc/40/57/83/886405783.db2.gz XSEBKKDKNHKSCC-UHFFFAOYSA-N 0 0 386.400 3.934 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)CCCNC(=O)c2ccc(F)cc2)C2CC2)cc1 ZINC000919812092 886432258 /nfs/dbraw/zinc/43/22/58/886432258.db2.gz FAVHAHYNSIYIKG-UHFFFAOYSA-N 0 0 397.494 3.593 20 10 GHCDRN C[C@H]([NH2+]CC1=CCCOC1)c1cc(Br)cc(Br)c1[O-] ZINC000287043149 913053757 /nfs/dbraw/zinc/05/37/57/913053757.db2.gz MJVWDYCRZWZJDN-VIFPVBQESA-N 0 0 391.103 3.915 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)c2ccccc2CCNC(=O)OC(C)(C)C)c1 ZINC000862755294 886583997 /nfs/dbraw/zinc/58/39/97/886583997.db2.gz QBWMKZOBCUXGGX-UHFFFAOYSA-N 0 0 384.476 3.698 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1cc(Br)cc(Br)c1[O-] ZINC000762650347 886617053 /nfs/dbraw/zinc/61/70/53/886617053.db2.gz QIDLTVYCNYOPDQ-ZDMBXUJBSA-N 0 0 393.119 3.993 20 10 GHCDRN Cc1cc(Cl)cc([C@H](C)Nc2ccc(CC(=O)N3CCOCC3)cc2)c1O ZINC000808709378 886691267 /nfs/dbraw/zinc/69/12/67/886691267.db2.gz SHDBDSRWTFALBS-HNNXBMFYSA-N 0 0 388.895 3.928 20 10 GHCDRN Cc1cc(Cl)cc([C@H](C)N[C@@H](C(N)=O)c2cccc(Br)c2)c1O ZINC000808719656 886701833 /nfs/dbraw/zinc/70/18/33/886701833.db2.gz YRJKZQFHCPKZPW-ZUZCIYMTSA-N 0 0 397.700 3.994 20 10 GHCDRN CC(C)Sc1ccccc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000119155084 886729495 /nfs/dbraw/zinc/72/94/95/886729495.db2.gz UOOCRSMFGWTAMH-UHFFFAOYSA-N 0 0 395.528 3.818 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Nc3cccc(NC(C)=O)c3C)CC2)cc1 ZINC000124568880 886766478 /nfs/dbraw/zinc/76/64/78/886766478.db2.gz DBOWQXCBTPUXCS-UHFFFAOYSA-N 0 0 396.491 3.706 20 10 GHCDRN C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000808780096 886769213 /nfs/dbraw/zinc/76/92/13/886769213.db2.gz HSSHFNFXRSINPA-VGOFRKELSA-N 0 0 393.531 3.541 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1ncnc2cc(F)c(Br)cc21 ZINC000762800044 886831873 /nfs/dbraw/zinc/83/18/73/886831873.db2.gz JHFUGGFTLNEIIC-VIFPVBQESA-N 0 0 392.228 3.986 20 10 GHCDRN CN1CCCc2cc(CNC(=O)NCc3csc(-c4ccco4)n3)ccc21 ZINC000119295548 886892664 /nfs/dbraw/zinc/89/26/64/886892664.db2.gz VGEWOZQEPNDJIO-UHFFFAOYSA-N 0 0 382.489 3.785 20 10 GHCDRN Cc1cc(CNC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c(C)n1-c1ccccc1 ZINC000863165405 886900289 /nfs/dbraw/zinc/90/02/89/886900289.db2.gz YAJMLHTXTOZGDO-UHFFFAOYSA-N 0 0 390.487 3.588 20 10 GHCDRN COc1cccc(CNC(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C)c1O ZINC000808916488 886939638 /nfs/dbraw/zinc/93/96/38/886939638.db2.gz XPVHJBYQSFKQNS-UHFFFAOYSA-N 0 0 386.839 3.870 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CCC(Cc3nc(C4CCC4)no3)CC2)cc1 ZINC000863507082 887158472 /nfs/dbraw/zinc/15/84/72/887158472.db2.gz QSHCYEVZRLUXTD-UHFFFAOYSA-N 0 0 397.523 3.567 20 10 GHCDRN CCO[C@@H]1C[C@@]2(NC(=O)N(Cc3cc(C)n(-c4ccccc4)c3C)C2=O)C1(C)C ZINC000863532544 887197389 /nfs/dbraw/zinc/19/73/89/887197389.db2.gz PGTGVLIBUNUHRZ-XXBNENTESA-N 0 0 395.503 3.720 20 10 GHCDRN Cc1cc(C(=O)N2CCC3(C2)Oc2ccccc2O3)c(C)n1-c1ccccn1 ZINC000809221618 887206386 /nfs/dbraw/zinc/20/63/86/887206386.db2.gz GQEROUBXIPJVNC-UHFFFAOYSA-N 0 0 375.428 3.503 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@H](CC2CCC2)c2ccccc2)cc1 ZINC000809302474 887285164 /nfs/dbraw/zinc/28/51/64/887285164.db2.gz AFYZFVZZQLMNIG-JOCHJYFZSA-N 0 0 393.531 3.759 20 10 GHCDRN CCCC(=O)NC1CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1 ZINC000915703316 887335130 /nfs/dbraw/zinc/33/51/30/887335130.db2.gz FFPKUNZULYPYFC-UHFFFAOYSA-N 0 0 381.520 3.923 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)C(=O)NCC(C)(C)C2CCCC2)C2CC2)cc1 ZINC000809532647 887521571 /nfs/dbraw/zinc/52/15/71/887521571.db2.gz IOCIUIRKOKHANC-UHFFFAOYSA-N 0 0 385.552 3.576 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)O[C@@H]1CCO[C@@H]([C@H]2CCOC2)C1 ZINC000763093897 887651224 /nfs/dbraw/zinc/65/12/24/887651224.db2.gz FZJSXTICQHSAPG-LZLYRXPVSA-N 0 0 375.490 3.897 20 10 GHCDRN C[C@H](CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1F ZINC000171267766 887653884 /nfs/dbraw/zinc/65/38/84/887653884.db2.gz ASRDNOOYTITOIR-OAHLLOKOSA-N 0 0 388.458 3.736 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(-n2cccn2)cc1 ZINC000915848475 887693634 /nfs/dbraw/zinc/69/36/34/887693634.db2.gz VATFTTVPFMPOKF-UHFFFAOYSA-N 0 0 376.504 3.918 20 10 GHCDRN C[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000809706520 887725497 /nfs/dbraw/zinc/72/54/97/887725497.db2.gz BOTQPZCSGBXAFM-NXEZZACHSA-N 0 0 393.119 3.679 20 10 GHCDRN COc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)c(Br)c1 ZINC000794686332 887759591 /nfs/dbraw/zinc/75/95/91/887759591.db2.gz NZTVOKBGJCQTKB-ZROIWOOFSA-N 0 0 381.295 3.914 20 10 GHCDRN CN(C)c1cc(F)c(C[NH2+][C@@H](CSCCc2ccccc2)C(=O)[O-])cc1F ZINC000864510367 887817099 /nfs/dbraw/zinc/81/70/99/887817099.db2.gz VNIQFZAIDBKYIV-SFHVURJKSA-N 0 0 394.487 3.550 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000120142684 887885984 /nfs/dbraw/zinc/88/59/84/887885984.db2.gz VIMYQOBYEUXAHB-FCHUYYIVSA-N 0 0 398.934 3.969 20 10 GHCDRN C[C@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nc(-c2ccccc2)no1 ZINC000134570030 887887355 /nfs/dbraw/zinc/88/73/55/887887355.db2.gz LSOYDHYDYLCMRI-MRXNPFEDSA-N 0 0 393.491 3.748 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)/C=C\COC2CCOCC2)cc1 ZINC000864794363 888004245 /nfs/dbraw/zinc/00/42/45/888004245.db2.gz KUIDCALYIACWDI-XQRVVYSFSA-N 0 0 398.503 3.626 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000747583068 888012781 /nfs/dbraw/zinc/01/27/81/888012781.db2.gz GKJLPWUEOSTMNH-OQRWROFFSA-N 0 0 387.549 3.701 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1Cl ZINC000120264600 888031802 /nfs/dbraw/zinc/03/18/02/888031802.db2.gz ZIWANOJUMISKEX-AWEZNQCLSA-N 0 0 391.874 3.876 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000015360390 888086905 /nfs/dbraw/zinc/08/69/05/888086905.db2.gz WGTTYBXKPQKGRF-UHFFFAOYSA-N 0 0 380.460 3.776 20 10 GHCDRN COC(=O)Cc1occ(C)c1C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001132044587 888105404 /nfs/dbraw/zinc/10/54/04/888105404.db2.gz VAYXQYGJKICBLI-UHFFFAOYSA-N 0 0 394.471 3.949 20 10 GHCDRN CN(C)c1ccc(CNC(=O)Cc2csc(CCC(F)(F)F)n2)cc1F ZINC000865051638 888160814 /nfs/dbraw/zinc/16/08/14/888160814.db2.gz QQAFFPPXZBLYDT-UHFFFAOYSA-N 0 0 389.418 3.702 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3cc4c(ccnc4Cl)o3)CC2)cc1 ZINC000865115208 888201833 /nfs/dbraw/zinc/20/18/33/888201833.db2.gz GVTOQMALAVEDIE-UHFFFAOYSA-N 0 0 385.851 3.889 20 10 GHCDRN Cn1c2ccc(Cl)cc2nc1/C(Cl)=C/c1cn(C[C@@H]2CCCO2)nn1 ZINC000865217502 888250855 /nfs/dbraw/zinc/25/08/55/888250855.db2.gz KIPQWXDYNLMOEE-IAOKNECISA-N 0 0 378.263 3.734 20 10 GHCDRN COc1cc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)sc1Br ZINC000120468966 888274652 /nfs/dbraw/zinc/27/46/52/888274652.db2.gz JXOJTJFBDLMNRC-QMMMGPOBSA-N 0 0 386.267 3.724 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2COc3ccc(Br)cc32)c1 ZINC000120466063 888274795 /nfs/dbraw/zinc/27/47/95/888274795.db2.gz OQIWINLRNJDOQR-BMIGLBTASA-N 0 0 392.249 3.517 20 10 GHCDRN COc1ccc(CCCC(=O)NCc2ccc(N3CCCC3)cc2)c(OC)c1 ZINC000179143396 888279024 /nfs/dbraw/zinc/27/90/24/888279024.db2.gz FCMYHHAQFJWLCU-UHFFFAOYSA-N 0 0 382.504 3.943 20 10 GHCDRN OC1CCN(c2ccc(CNCc3c(Cl)cncc3Cl)cc2F)CC1 ZINC000865426820 888344451 /nfs/dbraw/zinc/34/44/51/888344451.db2.gz GRPYTQLONPDSSS-UHFFFAOYSA-N 0 0 384.282 3.778 20 10 GHCDRN COc1cc(F)c(F)cc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000810270792 888366940 /nfs/dbraw/zinc/36/69/40/888366940.db2.gz FRUPVSZASKRJHP-CQSZACIVSA-N 0 0 392.402 3.892 20 10 GHCDRN CC(F)(F)c1ccc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)cc1 ZINC000810318054 888427495 /nfs/dbraw/zinc/42/74/95/888427495.db2.gz NLEKOWRRBGVAGE-UHFFFAOYSA-N 0 0 395.387 3.592 20 10 GHCDRN Cc1ccc(CNC(=O)NCc2ccc(N(C)C)cc2)c(OC[C@@H]2CCCO2)c1 ZINC000120622420 888436149 /nfs/dbraw/zinc/43/61/49/888436149.db2.gz HWXIWPZRCWDPKP-NRFANRHFSA-N 0 0 397.519 3.618 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000810410554 888476890 /nfs/dbraw/zinc/47/68/90/888476890.db2.gz AKUKYCLQFKENFM-UHFFFAOYSA-N 0 0 399.447 3.630 20 10 GHCDRN C=CC(=O)NCc1ccc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)cc1 ZINC001132263612 888484899 /nfs/dbraw/zinc/48/48/99/888484899.db2.gz HAKQLDKQNIGLBD-UHFFFAOYSA-N 0 0 387.483 3.826 20 10 GHCDRN O[C@H](c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1)C(F)(F)F ZINC000865664867 888505102 /nfs/dbraw/zinc/50/51/02/888505102.db2.gz LTUVVKGFEWUYAR-GOSISDBHSA-N 0 0 384.373 3.870 20 10 GHCDRN CCn1cc(N2C(=O)/C(=C\c3ccnn3-c3ccc(F)cc3)SC2=S)cn1 ZINC000794859266 888524878 /nfs/dbraw/zinc/52/48/78/888524878.db2.gz ORSVTYHOZDVGAL-CXUHLZMHSA-N 0 0 399.476 3.634 20 10 GHCDRN CN(C)C(=O)NCCc1ccc(NCc2c(O)cccc2Br)cc1 ZINC000865707696 888529656 /nfs/dbraw/zinc/52/96/56/888529656.db2.gz WNGQUSQAFATZKE-UHFFFAOYSA-N 0 0 392.297 3.581 20 10 GHCDRN CN(C)C(=O)NCCc1ccc(NCc2cc(Br)ccc2O)cc1 ZINC000865708360 888531360 /nfs/dbraw/zinc/53/13/60/888531360.db2.gz WUYPGGQGARYALW-UHFFFAOYSA-N 0 0 392.297 3.581 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(c2ccc(C)cn2)CC1 ZINC000194085852 888555162 /nfs/dbraw/zinc/55/51/62/888555162.db2.gz CQWMTHZZDOGSOU-UHFFFAOYSA-N 0 0 380.536 3.721 20 10 GHCDRN Cc1cc(C(=O)N2CCC(c3nncn3C)CC2)c(C)n1-c1cccc(Cl)c1 ZINC000194097214 888556979 /nfs/dbraw/zinc/55/69/79/888556979.db2.gz WFMCTMSOTBJLML-UHFFFAOYSA-N 0 0 397.910 3.896 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1Cc2ccc(Cl)cc21 ZINC000865953158 888662871 /nfs/dbraw/zinc/66/28/71/888662871.db2.gz YGFMEYQDMKRZDB-OAQYLSRUSA-N 0 0 384.907 3.505 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1c(C)nsc1NC ZINC000121005452 888830969 /nfs/dbraw/zinc/83/09/69/888830969.db2.gz HNTOWZNBPSUUIK-UHFFFAOYSA-N 0 0 384.299 3.624 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000121036447 888844269 /nfs/dbraw/zinc/84/42/69/888844269.db2.gz LASMOPPLPACYGU-UHFFFAOYSA-N 0 0 378.476 3.530 20 10 GHCDRN C[C@@H]([NH2+]Cc1c(Br)cnn1C)c1ccc(Br)cc1O ZINC000866431192 888872043 /nfs/dbraw/zinc/87/20/43/888872043.db2.gz KDBJFNQAGPXRPF-MRVPVSSYSA-N 0 0 389.091 3.502 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)c1 ZINC000121240006 889040790 /nfs/dbraw/zinc/04/07/90/889040790.db2.gz GVXKQVZVPMHYKX-OLZOCXBDSA-N 0 0 382.420 3.572 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 ZINC000916503109 889076060 /nfs/dbraw/zinc/07/60/60/889076060.db2.gz HQVGDQUMUWZPOB-NRFANRHFSA-N 0 0 393.531 3.506 20 10 GHCDRN COc1ccc(N2CCN(C(=O)N[C@@H](c3ccccc3)C(F)(F)F)CC2)cc1 ZINC000916577199 889140066 /nfs/dbraw/zinc/14/00/66/889140066.db2.gz OZFJBVPBJLVDIP-SFHVURJKSA-N 0 0 393.409 3.830 20 10 GHCDRN COC(=O)CCc1nnc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)s1 ZINC000121908538 889208189 /nfs/dbraw/zinc/20/81/89/889208189.db2.gz AMIIJEPJNQNXPA-UHFFFAOYSA-N 0 0 398.488 3.612 20 10 GHCDRN C[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1cc2cnccc2o1 ZINC000868149056 889320766 /nfs/dbraw/zinc/32/07/66/889320766.db2.gz SPNVQUODCNYJAQ-HOTGVXAUSA-N 0 0 394.475 3.786 20 10 GHCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)c1ccc(N2CCCOC2=O)cc1 ZINC000868646658 889540942 /nfs/dbraw/zinc/54/09/42/889540942.db2.gz VJPTXUDPUXCJMH-CABCVRRESA-N 0 0 383.448 3.860 20 10 GHCDRN O=C(NCC[C@@H]1CCSC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000868832706 889618839 /nfs/dbraw/zinc/61/88/39/889618839.db2.gz WWXBHEMVXAKPFI-CQSZACIVSA-N 0 0 399.507 3.699 20 10 GHCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)[C@H]1CCOc2ccccc2O1 ZINC001184705939 913373164 /nfs/dbraw/zinc/37/31/64/913373164.db2.gz ZQLUPSMOIXZTFD-PLEURWKTSA-N 0 0 389.415 3.835 20 10 GHCDRN CC(C)OCc1cc(NS(=O)(=O)c2ccc(OC(C)C)cc2)ccc1O ZINC000811703631 889876476 /nfs/dbraw/zinc/87/64/76/889876476.db2.gz XXPVEZPXICVCCW-UHFFFAOYSA-N 0 0 379.478 3.905 20 10 GHCDRN CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000812014720 890202759 /nfs/dbraw/zinc/20/27/59/890202759.db2.gz KEFKNMWRAUXNCR-GUDVDZBRSA-N 0 0 389.540 3.984 20 10 GHCDRN Oc1cc2c(cc1CNc1ccc(-n3nccc3C(F)(F)F)cc1)OCO2 ZINC000122933070 890206319 /nfs/dbraw/zinc/20/63/19/890206319.db2.gz RKKRAVFLWOAHDN-UHFFFAOYSA-N 0 0 377.322 3.938 20 10 GHCDRN CCn1c(Cc2ccsc2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 ZINC000812032538 890243495 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CC(C)Cn1c(COCc2ccccc2)nnc1N(C)Cc1ccccc1O ZINC000812241483 890473744 /nfs/dbraw/zinc/47/37/44/890473744.db2.gz IKYCBROPRVZTJZ-UHFFFAOYSA-N 0 0 380.492 3.993 20 10 GHCDRN C[C@@H]1Oc2ccccc2[C@H]1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000812430836 890622033 /nfs/dbraw/zinc/62/20/33/890622033.db2.gz SGRCSOLUXSEFHK-WJPUGNRLSA-N 0 0 382.460 3.605 20 10 GHCDRN C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000812430834 890622555 /nfs/dbraw/zinc/62/25/55/890622555.db2.gz SGRCSOLUXSEFHK-HZUJVAHNSA-N 0 0 382.460 3.605 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C)nc1Br ZINC000123467602 890627092 /nfs/dbraw/zinc/62/70/92/890627092.db2.gz PTRGUQASBPRVBX-UHFFFAOYSA-N 0 0 376.298 3.881 20 10 GHCDRN Cc1nc(CC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C)s1 ZINC000123495614 890656863 /nfs/dbraw/zinc/65/68/63/890656863.db2.gz CCFNDGMPBLTLAW-CQSZACIVSA-N 0 0 395.475 3.689 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CC(CNC(=O)OC(C)(C)C)C1 ZINC001184838215 913475361 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Cc1nc2ccccc2c(C)c1CC(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001186270288 914408375 /nfs/dbraw/zinc/40/83/75/914408375.db2.gz GGFRRRQKCNBJIW-UHFFFAOYSA-N 0 0 376.456 3.780 20 10 GHCDRN Cc1csc([C@@H](C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 ZINC000825430501 900140837 /nfs/dbraw/zinc/14/08/37/900140837.db2.gz ZBSCBEDMZWTTII-ZDUSSCGKSA-N 0 0 395.475 3.942 20 10 GHCDRN Oc1cc(Br)ccc1CNc1ccccc1N1CCC(O)CC1 ZINC000825441520 900166171 /nfs/dbraw/zinc/16/61/71/900166171.db2.gz PBIGSSXERKJOFJ-UHFFFAOYSA-N 0 0 377.282 3.728 20 10 GHCDRN CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCC(C)CC3)c2)c1 ZINC000135156485 900192467 /nfs/dbraw/zinc/19/24/67/900192467.db2.gz HYLNYNVWNSGYBN-UHFFFAOYSA-N 0 0 386.517 3.969 20 10 GHCDRN COc1ccc(F)c(CN(C)Cc2ccc(N3CCOCC3)cc2)c1Cl ZINC001143368970 900230122 /nfs/dbraw/zinc/23/01/22/900230122.db2.gz GXNNZCUZEAHCJR-UHFFFAOYSA-N 0 0 378.875 3.956 20 10 GHCDRN Cc1cc(C(=O)N2CCC=C(F)C2)c(C)n1-c1ccc(Br)cn1 ZINC000843846548 900243384 /nfs/dbraw/zinc/24/33/84/900243384.db2.gz 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ZINC000136212782 900609132 /nfs/dbraw/zinc/60/91/32/900609132.db2.gz GMDMXDDZWNZNTG-UHFFFAOYSA-N 0 0 395.478 3.754 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)NCCCc2c(C)noc2C)CCCC1 ZINC000844420383 900823808 /nfs/dbraw/zinc/82/38/08/900823808.db2.gz AUNHBZLYBGCUBG-UHFFFAOYSA-N 0 0 395.503 3.883 20 10 GHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)Cc2[nH]nc3ccccc32)cc1 ZINC001143999548 900905773 /nfs/dbraw/zinc/90/57/73/900905773.db2.gz KVTMXMHKLNYNBU-UHFFFAOYSA-N 0 0 390.409 3.763 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2cc(OC)c(OC)cc2C)cc1 ZINC000844488074 900918485 /nfs/dbraw/zinc/91/84/85/900918485.db2.gz NNDFQLRPZZOLHB-UHFFFAOYSA-N 0 0 387.480 3.621 20 10 GHCDRN CCN(CC)C(=O)c1ccccc1NC(=O)NCc1cc(Cl)ccc1O ZINC000844523623 900962377 /nfs/dbraw/zinc/96/23/77/900962377.db2.gz MTLBBQGHRGEVCV-UHFFFAOYSA-N 0 0 375.856 3.849 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@@H](c3ccccn3)C2)CCCC1 ZINC000844513632 900988749 /nfs/dbraw/zinc/98/87/49/900988749.db2.gz TZIWQPFYGSSIGD-QGZVFWFLSA-N 0 0 389.499 3.940 20 10 GHCDRN COc1ccccc1SC[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775013801 914499094 /nfs/dbraw/zinc/49/90/94/914499094.db2.gz CRBJOMFITLVIGQ-CYBMUJFWSA-N 0 0 392.477 3.836 20 10 GHCDRN C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000138008448 901040649 /nfs/dbraw/zinc/04/06/49/901040649.db2.gz RFZTXONPPYEZJT-YCRPNKLZSA-N 0 0 385.483 3.520 20 10 GHCDRN COc1cccc(C2(C[NH2+]Cc3ccc([N+](=O)[O-])c(OC)c3[O-])CCCC2)c1 ZINC000775013572 914503105 /nfs/dbraw/zinc/50/31/05/914503105.db2.gz WIYIXFVLQHITMQ-UHFFFAOYSA-N 0 0 386.448 3.919 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2cc(C)n([C@@H](C)C3CC3)n2)cc1 ZINC000844620734 901085183 /nfs/dbraw/zinc/08/51/83/901085183.db2.gz ZYWSYQDCFQCKGV-INIZCTEOSA-N 0 0 385.512 3.771 20 10 GHCDRN CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3c([O-])cccc3F)CC2)cc1 ZINC000886514438 901106854 /nfs/dbraw/zinc/10/68/54/901106854.db2.gz PQALXADWHWWQJL-HNNXBMFYSA-N 0 0 386.467 3.885 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)Nc2cc3c([nH]c2=O)CCCC3)C2CC2)cc1 ZINC000844731844 901248689 /nfs/dbraw/zinc/24/86/89/901248689.db2.gz UQWBBMMZBDJBOJ-UHFFFAOYSA-N 0 0 380.492 3.929 20 10 GHCDRN CC(C)c1nc([C@H](C)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cs1 ZINC000886749600 901253890 /nfs/dbraw/zinc/25/38/90/901253890.db2.gz XOTWGISUFZQCLI-HNNXBMFYSA-N 0 0 386.565 3.819 20 10 GHCDRN COc1ccc(-c2ocnc2C(=O)N(C)CCN(C)c2ccc(OC)cc2)cc1 ZINC000844857272 901366051 /nfs/dbraw/zinc/36/60/51/901366051.db2.gz RRVOVYFKGRKEIC-UHFFFAOYSA-N 0 0 395.459 3.567 20 10 GHCDRN COc1ccc(N2CCN(C(=O)N[C@H]3CCCc4ccccc43)CC2)c(OC)c1 ZINC001186451719 914533084 /nfs/dbraw/zinc/53/30/84/914533084.db2.gz YWHIIZCKNIVUQP-FQEVSTJZSA-N 0 0 395.503 3.613 20 10 GHCDRN Cc1cc(O)c(CN[C@@H](Cc2ccncc2)C(=O)OC(C)(C)C)cc1Cl ZINC000826538684 901493606 /nfs/dbraw/zinc/49/36/06/901493606.db2.gz IFPVPNYKGSDUIL-KRWDZBQOSA-N 0 0 376.884 3.792 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)NCc2cccc3cccnc32)cc1 ZINC000844933716 901555479 /nfs/dbraw/zinc/55/54/79/901555479.db2.gz AKMOMHNHXAHOFI-UHFFFAOYSA-N 0 0 378.476 3.521 20 10 GHCDRN C[C@](C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC000844939656 901564925 /nfs/dbraw/zinc/56/49/25/901564925.db2.gz PJASSZPFCGJSJU-JOCHJYFZSA-N 0 0 397.475 3.717 20 10 GHCDRN CN(C)c1ccc(C[NH2+]C[C@@](C)(C(=O)[O-])c2ccccc2)c(C(F)(F)F)c1 ZINC000844939755 901565096 /nfs/dbraw/zinc/56/50/96/901565096.db2.gz QPHDJUJQURUVEF-LJQANCHMSA-N 0 0 380.410 3.904 20 10 GHCDRN CN(Cc1ccccc1CNC(=O)NCc1ccccc1O)C(=O)OC(C)(C)C ZINC000844940712 901566373 /nfs/dbraw/zinc/56/63/73/901566373.db2.gz XYOHQGARWQNITA-UHFFFAOYSA-N 0 0 399.491 3.759 20 10 GHCDRN O=C(NCc1ccc(N2CCCCC2=O)cc1)NCc1cc(Cl)ccc1O ZINC000844909929 901570253 /nfs/dbraw/zinc/57/02/53/901570253.db2.gz LDJYWWFBHBDCLX-UHFFFAOYSA-N 0 0 387.867 3.562 20 10 GHCDRN Cc1cccc(COc2cccc(CC(=O)NCc3ccc(O)c(O)c3)c2)c1 ZINC000778916317 901580924 /nfs/dbraw/zinc/58/09/24/901580924.db2.gz DBRJWXBORZGYDK-UHFFFAOYSA-N 0 0 377.440 3.844 20 10 GHCDRN O=C(NC1CC2(CCC2)C1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000844944180 901608507 /nfs/dbraw/zinc/60/85/07/901608507.db2.gz IGEQZZZWZJOKAP-UHFFFAOYSA-N 0 0 379.451 3.889 20 10 GHCDRN CC[C@@H]1[N@H+](Cc2cc(Br)c(F)cc2[O-])CCC[C@]12CCC(=O)N2C ZINC001144301508 901674642 /nfs/dbraw/zinc/67/46/42/901674642.db2.gz QFSNGVHGPVRXRO-WMZOPIPTSA-N 0 0 399.304 3.659 20 10 GHCDRN CCc1noc(C2CC[NH+](Cc3cc(Br)c(F)cc3[O-])CC2)n1 ZINC001144306519 901685979 /nfs/dbraw/zinc/68/59/79/901685979.db2.gz FIZYNPNNMPGLKB-UHFFFAOYSA-N 0 0 384.249 3.619 20 10 GHCDRN O=C(c1ccc(C(F)(F)F)c(F)c1F)N1CCCc2cc(O)c(O)cc2C1 ZINC001186469753 914558644 /nfs/dbraw/zinc/55/86/44/914558644.db2.gz UQDDITDUKSXPJU-UHFFFAOYSA-N 0 0 387.304 3.983 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)cc1 ZINC000047270685 901714214 /nfs/dbraw/zinc/71/42/14/901714214.db2.gz TTYNIYLPEQJONX-UHFFFAOYSA-N 0 0 391.519 3.917 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000778929412 901800966 /nfs/dbraw/zinc/80/09/66/901800966.db2.gz KDRSTOVMBNFMOA-HOTGVXAUSA-N 0 0 392.496 3.578 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1snc(Cl)c1Cl ZINC000845228203 901966461 /nfs/dbraw/zinc/96/64/61/901966461.db2.gz CZMBMPAJWZIKBF-UHFFFAOYSA-N 0 0 388.345 3.933 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000303282490 914583867 /nfs/dbraw/zinc/58/38/67/914583867.db2.gz IZFIBNJJWQSYCG-GOSISDBHSA-N 0 0 383.492 3.833 20 10 GHCDRN Cc1cc(C)n2c(nc(=S)n2CN2CCCc3cc(OC(F)F)ccc32)n1 ZINC000158827307 902183878 /nfs/dbraw/zinc/18/38/78/902183878.db2.gz CLABODDLPBGGSM-UHFFFAOYSA-N 0 0 391.447 3.889 20 10 GHCDRN O=C(NCc1ccc(O)c(O)c1)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000159013435 902444120 /nfs/dbraw/zinc/44/41/20/902444120.db2.gz NPVLHXWVDFECFE-UHFFFAOYSA-N 0 0 399.450 3.940 20 10 GHCDRN Cc1cc(C(=O)NCc2nnc(C3CCC3)n2C)c(C)n1-c1ccccc1C ZINC000159038227 902481022 /nfs/dbraw/zinc/48/10/22/902481022.db2.gz INIYCRBCBXOWJG-UHFFFAOYSA-N 0 0 377.492 3.729 20 10 GHCDRN C[C@H](COCC(=O)NCc1cccc(Br)c1O)c1ccccc1 ZINC000846013383 902593234 /nfs/dbraw/zinc/59/32/34/902593234.db2.gz 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C[C@@H](NC(=O)N(C)Cc1cc(Br)cn1C)c1ccc(N(C)C)cc1 ZINC000773609591 908403950 /nfs/dbraw/zinc/40/39/50/908403950.db2.gz FDSSNEXAXBXDMV-CYBMUJFWSA-N 0 0 393.329 3.756 20 10 GHCDRN COc1cccc(N2CCC[C@@H](NC(=O)N[C@H](C)c3ccc(N(C)C)cc3)C2)c1 ZINC000773614895 908415369 /nfs/dbraw/zinc/41/53/69/908415369.db2.gz ULCIKTGQFCCKAF-IEBWSBKVSA-N 0 0 396.535 3.790 20 10 GHCDRN C[C@@H](NC(=O)N1CCN([C@@H](C)c2ccsc2)CC1)c1ccc(N(C)C)cc1 ZINC000773617036 908424005 /nfs/dbraw/zinc/42/40/05/908424005.db2.gz MMOYZDQCDPJELU-SJORKVTESA-N 0 0 386.565 3.964 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Nc3ccc4nc(C)oc4c3)CC2)cc1 ZINC000193483424 908428084 /nfs/dbraw/zinc/42/80/84/908428084.db2.gz KBOOVYVBWBEEIH-UHFFFAOYSA-N 0 0 380.448 3.889 20 10 GHCDRN C[C@@H](NC(=O)N[C@H](c1nccn1C)c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000773626100 908462715 /nfs/dbraw/zinc/46/27/15/908462715.db2.gz MECZHAOEKALNHK-QRWLVFNGSA-N 0 0 395.482 3.775 20 10 GHCDRN CCOC(=O)c1csc(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000190340869 908472529 /nfs/dbraw/zinc/47/25/29/908472529.db2.gz DYCFMPAYBIGZMC-UHFFFAOYSA-N 0 0 375.277 3.665 20 10 GHCDRN COCc1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1 ZINC000773656965 908541361 /nfs/dbraw/zinc/54/13/61/908541361.db2.gz DGGGXJANSDYXEU-UHFFFAOYSA-N 0 0 381.476 3.577 20 10 GHCDRN CN(C)c1ccc(CNC(=O)c2cc(C(F)(F)F)cnc2Cl)cc1F ZINC000779750301 908560966 /nfs/dbraw/zinc/56/09/66/908560966.db2.gz AWZFBGUMOREMOP-UHFFFAOYSA-N 0 0 375.753 3.889 20 10 GHCDRN COc1ccc(NC(=O)NCc2ccc(N(C)C)cc2C)c(C(F)(F)F)n1 ZINC000801720804 921422330 /nfs/dbraw/zinc/42/23/30/921422330.db2.gz LPPPRXPJVLRMDE-UHFFFAOYSA-N 0 0 382.386 3.805 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(-c3ncn(C)n3)cc2)cc1 ZINC000779754428 908617488 /nfs/dbraw/zinc/61/74/88/908617488.db2.gz HXOFOFKBZNTBFS-UHFFFAOYSA-N 0 0 377.492 3.601 20 10 GHCDRN CCCOc1ccccc1NC(=O)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000193779738 908706196 /nfs/dbraw/zinc/70/61/96/908706196.db2.gz HATFMBLYIMQFTD-UHFFFAOYSA-N 0 0 383.492 3.577 20 10 GHCDRN CC(C)c1ccccc1NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000193905038 908791469 /nfs/dbraw/zinc/79/14/69/908791469.db2.gz IFOGMZPGKTYBBG-GOSISDBHSA-N 0 0 396.487 3.662 20 10 GHCDRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1)c1ccc(F)cc1 ZINC000194019185 908839352 /nfs/dbraw/zinc/83/93/52/908839352.db2.gz VFRPVQBSQBYTOA-UHFFFAOYSA-N 0 0 386.404 3.584 20 10 GHCDRN CC(C)c1nnc2ccc(NC(=O)NCc3ccc(N4CCCC4)cc3)cn21 ZINC000801743034 921444165 /nfs/dbraw/zinc/44/41/65/921444165.db2.gz BTWRUNCWTCVUQW-UHFFFAOYSA-N 0 0 378.480 3.775 20 10 GHCDRN CC(C)(C)CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000194444750 908883376 /nfs/dbraw/zinc/88/33/76/908883376.db2.gz MCBBDKHDINMXRV-RAXLEYEMSA-N 0 0 382.576 3.892 20 10 GHCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2csc(C3CC3)n2)cc1 ZINC000194698107 908914235 /nfs/dbraw/zinc/91/42/35/908914235.db2.gz VDXKRQIEZFGWPW-SFHVURJKSA-N 0 0 385.533 3.908 20 10 GHCDRN O=C(COc1ccc(F)cc1Cl)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000194827672 908932489 /nfs/dbraw/zinc/93/24/89/908932489.db2.gz UUONGTJSMNOBQR-INIZCTEOSA-N 0 0 393.842 3.771 20 10 GHCDRN O=C(NC1CCCC1)c1ccc(NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000195101158 908966774 /nfs/dbraw/zinc/96/67/74/908966774.db2.gz RWLXTPMVEQWPDL-UHFFFAOYSA-N 0 0 379.504 3.808 20 10 GHCDRN C[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-])NC(=O)OC(C)(C)C ZINC000195142448 908972525 /nfs/dbraw/zinc/97/25/25/908972525.db2.gz AVCXWEPFDRMEHK-ZJUUUORDSA-N 0 0 391.281 3.858 20 10 GHCDRN O=C1OCCN1c1ccc(C[NH2+]Cc2cc(Br)cc(F)c2[O-])cc1 ZINC001178284922 908986796 /nfs/dbraw/zinc/98/67/96/908986796.db2.gz FCPYUPASTKRWLI-UHFFFAOYSA-N 0 0 395.228 3.540 20 10 GHCDRN COc1ccc(COCC[NH2+]Cc2cc(C)cc(Br)c2[O-])cc1 ZINC001178347477 909009322 /nfs/dbraw/zinc/00/93/22/909009322.db2.gz WDNMUDNONKVTDK-UHFFFAOYSA-N 0 0 380.282 3.778 20 10 GHCDRN CN(C(=O)OC(C)(C)C)C1CCC(C(=O)N2CCc3cccc(O)c3C2)CC1 ZINC001178533762 909092456 /nfs/dbraw/zinc/09/24/56/909092456.db2.gz USVHHPNUXUDNDM-UHFFFAOYSA-N 0 0 388.508 3.703 20 10 GHCDRN Cc1nn(C)c2ncc(NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc12 ZINC000779983849 909214536 /nfs/dbraw/zinc/21/45/36/909214536.db2.gz XYDRAFGPMMJNAT-UHFFFAOYSA-N 0 0 380.452 3.787 20 10 GHCDRN CC(=O)N(C)c1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000266769293 909294436 /nfs/dbraw/zinc/29/44/36/909294436.db2.gz SFTLRWLFITVFPA-FQEVSTJZSA-N 0 0 397.475 3.588 20 10 GHCDRN CC(C)(C)OC(=O)N1C[C@@H](CC(=O)NCc2c(O)cccc2O)c2ccccc21 ZINC001178917338 909314641 /nfs/dbraw/zinc/31/46/41/909314641.db2.gz NUNOAONOOWHGES-CQSZACIVSA-N 0 0 398.459 3.643 20 10 GHCDRN Cn1ccnc1CNc1ccc(C(=O)NCc2c(O)ccc3ccccc32)cc1 ZINC001179032442 909366930 /nfs/dbraw/zinc/36/69/30/909366930.db2.gz HARPGMCXUUQVID-UHFFFAOYSA-N 0 0 386.455 3.821 20 10 GHCDRN Cc1[nH]c(=O)c(C(=O)NCc2c(O)ccc3ccccc32)cc1Br ZINC001179032262 909367086 /nfs/dbraw/zinc/36/70/86/909367086.db2.gz CUHLQPJWPLKCDP-UHFFFAOYSA-N 0 0 387.233 3.647 20 10 GHCDRN O=C(NCc1c(O)ccc2ccccc21)c1ccc2c(Br)cnn2c1 ZINC001179037070 909368829 /nfs/dbraw/zinc/36/88/29/909368829.db2.gz PTZAFERYPLCGMS-UHFFFAOYSA-N 0 0 396.244 3.886 20 10 GHCDRN Cc1oc(-c2cnn(C)c2)nc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000267601363 909561584 /nfs/dbraw/zinc/56/15/84/909561584.db2.gz DOMIHLQWTBTPPB-UHFFFAOYSA-N 0 0 381.480 3.500 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001179684573 909645054 /nfs/dbraw/zinc/64/50/54/909645054.db2.gz WIXDEHGQUDMUMV-QFYPQSKPSA-N 0 0 379.456 3.676 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@]1(c2ccccc2Cl)CCCCC1=O ZINC001179689318 909648376 /nfs/dbraw/zinc/64/83/76/909648376.db2.gz KOLDVBAWCIWXDG-ZUURVNMSSA-N 0 0 385.847 3.919 20 10 GHCDRN COc1cccc2c1CC[C@H](CCCNC(=O)/C=C/c1ccc(O)c(O)c1)C2 ZINC001179691598 909649797 /nfs/dbraw/zinc/64/97/97/909649797.db2.gz WWWIPTUNJPXJNU-YHVDPYDOSA-N 0 0 381.472 3.821 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1csc([C@H](C)OC)n1 ZINC000267814607 909655788 /nfs/dbraw/zinc/65/57/88/909655788.db2.gz VAGFKZPYPIZCNX-AWEZNQCLSA-N 0 0 376.526 3.648 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245467223 909665864 /nfs/dbraw/zinc/66/58/64/909665864.db2.gz RSZNELBRPYQLSD-VQFNDLOPSA-N 0 0 382.426 3.594 20 10 GHCDRN Cc1cc(Br)c(O)c(CNCC(F)(F)C2(O)CCCCC2)c1 ZINC001179771357 909698013 /nfs/dbraw/zinc/69/80/13/909698013.db2.gz AKJQOSPNHXXXPQ-UHFFFAOYSA-N 0 0 378.257 3.883 20 10 GHCDRN COc1ccc(CNc2cc(Nc3ccc(OC)cc3OC)ncn2)c(O)c1 ZINC000795289118 909716529 /nfs/dbraw/zinc/71/65/29/909716529.db2.gz GWJMTXIFQXPWJM-UHFFFAOYSA-N 0 0 382.420 3.564 20 10 GHCDRN Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@@](C)(c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000795310215 909822676 /nfs/dbraw/zinc/82/26/76/909822676.db2.gz PAOSFXPDAWGFGT-LJQANCHMSA-N 0 0 389.383 3.611 20 10 GHCDRN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3cc(F)c(N(C)C)cc3F)C2)nc1 ZINC001179984089 909852231 /nfs/dbraw/zinc/85/22/31/909852231.db2.gz LBCFUACYUZZKHW-OAHLLOKOSA-N 0 0 388.462 3.585 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC000801834907 921535845 /nfs/dbraw/zinc/53/58/45/921535845.db2.gz ALFHDDCWHUILHD-GOSISDBHSA-N 0 0 396.384 3.869 20 10 GHCDRN COc1ccc(-c2nnsc2NC(=O)/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001180124212 909971340 /nfs/dbraw/zinc/97/13/40/909971340.db2.gz YSIUKXKSFAAQJW-AWNIVKPZSA-N 0 0 380.473 3.932 20 10 GHCDRN C[C@@H](NC(=O)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc(N(C)C)cc1 ZINC000773844790 910050506 /nfs/dbraw/zinc/05/05/06/910050506.db2.gz HBVUIAPAPZNYMY-GFCCVEGCSA-N 0 0 393.459 3.883 20 10 GHCDRN C[C@H](NC(=O)C(=O)Nc1ccc2c3c(cccc31)CC2)c1ccc(N(C)C)cc1 ZINC000773847718 910062968 /nfs/dbraw/zinc/06/29/68/910062968.db2.gz SLLIBHQOAGGPGW-HNNXBMFYSA-N 0 0 387.483 3.820 20 10 GHCDRN C[C@@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(N(C)C)cc1 ZINC000773850341 910073321 /nfs/dbraw/zinc/07/33/21/910073321.db2.gz ZUJAUNZEMJEQKI-GFCCVEGCSA-N 0 0 379.382 3.587 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2cc(C(F)F)ccc2Cl)cc1 ZINC000269072301 910127503 /nfs/dbraw/zinc/12/75/03/910127503.db2.gz FQNMABHIRMPHFF-UHFFFAOYSA-N 0 0 395.837 3.941 20 10 GHCDRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCc2cccc(Cl)c2O)C1 ZINC001180410489 910152021 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20 10 GHCDRN O=C(CC1c2ccccc2-c2ccccc21)NCCc1cc(O)c(O)cc1O ZINC001181308114 910701722 /nfs/dbraw/zinc/70/17/22/910701722.db2.gz DLRGXPFGCNBFSD-UHFFFAOYSA-N 0 0 375.424 3.665 20 10 GHCDRN COc1ccc(CNc2cc(C)cc(I)c2)c(O)c1OC ZINC001181574913 910846991 /nfs/dbraw/zinc/84/69/91/910846991.db2.gz DCSFJUYHVPVWSI-UHFFFAOYSA-N 0 0 399.228 3.935 20 10 GHCDRN COc1c(F)cc(CC(=O)NCc2cc(Cl)c3cccnc3c2O)cc1F ZINC001181651251 910904766 /nfs/dbraw/zinc/90/47/66/910904766.db2.gz MMEJMHURDBMQBY-UHFFFAOYSA-N 0 0 392.789 3.740 20 10 GHCDRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCc3cccc(O)c3C2)c2ccccc21 ZINC001181940435 911093234 /nfs/dbraw/zinc/09/32/34/911093234.db2.gz UEPHHWQVAQMCMI-GOSISDBHSA-N 0 0 394.471 3.816 20 10 GHCDRN CCOc1ccccc1[C@H](CC(=O)N[C@H](C)c1ccc(N(C)C)cc1)NC(C)=O ZINC000773992904 911242203 /nfs/dbraw/zinc/24/22/03/911242203.db2.gz GORFOKIPNWRYEA-IERDGZPVSA-N 0 0 397.519 3.596 20 10 GHCDRN COCOc1cccc(Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)c1 ZINC001212900953 911452274 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COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C(F)F)[C@H]3CCCO3)ccc21 ZINC000774428166 911734261 /nfs/dbraw/zinc/73/42/61/911734261.db2.gz BBFITGKJBMPKPS-QZTJIDSGSA-N 0 0 381.419 3.874 20 10 GHCDRN C[C@H]1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1C(=O)OC(C)(C)C ZINC001182488626 911838579 /nfs/dbraw/zinc/83/85/79/911838579.db2.gz CWYOPLDLVXBYJU-UWJYYQICSA-N 0 0 388.552 3.590 20 10 GHCDRN COc1cccc([C@@H]2CN(Cc3cc(Br)ccc3O)CCO2)c1 ZINC000093079460 912049046 /nfs/dbraw/zinc/04/90/46/912049046.db2.gz ROQVJEAOPSQOJE-SFHVURJKSA-N 0 0 378.266 3.737 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CN[C@H](c3nc[nH]n3)c3cccnc3)cc2Cl)C1 ZINC000284865066 912059683 /nfs/dbraw/zinc/05/96/83/912059683.db2.gz ASEUEEWJPXEAQW-QRWLVFNGSA-N 0 0 396.926 3.969 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCc1cccc(Cl)c1 ZINC000774554688 912090395 /nfs/dbraw/zinc/09/03/95/912090395.db2.gz XWKMLKKTQYJCPJ-UHFFFAOYSA-N 0 0 399.922 3.605 20 10 GHCDRN Cc1cc(C(=O)CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c(C)n1-c1ccccc1 ZINC000796339226 914892077 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GHCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cc(C(C)(C)C)ccc2OC)c1 ZINC001187325492 915173080 /nfs/dbraw/zinc/17/30/80/915173080.db2.gz OVPXJEGKCGAFFO-CYBMUJFWSA-N 0 0 393.505 3.746 20 10 GHCDRN CN(C)c1ccc(CN(C)S(=O)(=O)CCc2cccc3ccccc32)cc1 ZINC001187641814 915410048 /nfs/dbraw/zinc/41/00/48/915410048.db2.gz USAIVHMIOHJQMO-UHFFFAOYSA-N 0 0 382.529 3.910 20 10 GHCDRN COc1ccccc1Oc1ccc(S(=O)(=O)NCc2cccc(C)c2O)cc1 ZINC001187839020 915553941 /nfs/dbraw/zinc/55/39/41/915553941.db2.gz KCJBTYPSNZPJPB-UHFFFAOYSA-N 0 0 399.468 3.980 20 10 GHCDRN Cc1cc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)ccc1N1CCCCC1 ZINC001187986902 915667281 /nfs/dbraw/zinc/66/72/81/915667281.db2.gz IQSWRNCAXLLGNC-UHFFFAOYSA-N 0 0 379.416 3.690 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)CCC(=O)c2ccc(OC)cc2)cc1F ZINC000097554451 915695444 /nfs/dbraw/zinc/69/54/44/915695444.db2.gz AOPGZVKBBVVHGQ-UHFFFAOYSA-N 0 0 386.467 3.960 20 10 GHCDRN COc1cc(/C=C2/SC(=S)N(C3CC3)C2=O)cc(Br)c1O ZINC000292996896 915941452 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Cc1cc(C(=O)CN2C(=O)N[C@@](C)(C3CCCC3)C2=O)c(C)n1-c1ccccc1 ZINC001189198379 916455477 /nfs/dbraw/zinc/45/54/77/916455477.db2.gz MSHKQFBXBXIOCI-QHCPKHFHSA-N 0 0 393.487 3.778 20 10 GHCDRN O=C(COC(=O)C1CCCCC1)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000006377150 916882634 /nfs/dbraw/zinc/88/26/34/916882634.db2.gz UURLOIGTWVKQHD-UHFFFAOYSA-N 0 0 391.423 3.524 20 10 GHCDRN Cn1c(C[NH2+]Cc2cccc(Br)c2[O-])nc2cccc(Cl)c21 ZINC000775320666 916911994 /nfs/dbraw/zinc/91/19/94/916911994.db2.gz GMQVAFWEODBSMZ-UHFFFAOYSA-N 0 0 380.673 3.985 20 10 GHCDRN COc1ccc(-c2noc(C)c2C(=O)N2CCCc3cc(O)c(O)cc3C2)cc1 ZINC001189784508 916920045 /nfs/dbraw/zinc/92/00/45/916920045.db2.gz YEBPGPMPEDSCAR-UHFFFAOYSA-N 0 0 394.427 3.658 20 10 GHCDRN Cc1ccc([C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@H](C)S(C)(=O)=O)cc1 ZINC000294720778 916946513 /nfs/dbraw/zinc/94/65/13/916946513.db2.gz PJERKQCAUCWFEM-SGTLLEGYSA-N 0 0 385.888 3.757 20 10 GHCDRN CC(=O)c1cc(NS(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)ccc1O ZINC001189982235 917041674 /nfs/dbraw/zinc/04/16/74/917041674.db2.gz OTKKOESSAZIEKI-UHFFFAOYSA-N 0 0 377.315 3.554 20 10 GHCDRN CO[C@@H]1COCC[C@H]1CC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000295063603 917121032 /nfs/dbraw/zinc/12/10/32/917121032.db2.gz YYHFYPUYLWVGRS-LQBOVUBWSA-N 0 0 383.488 3.924 20 10 GHCDRN O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000295479705 917324547 /nfs/dbraw/zinc/32/45/47/917324547.db2.gz PNKFBSURWBSZJC-LLVKDONJSA-N 0 0 376.453 3.592 20 10 GHCDRN C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000775410127 917551991 /nfs/dbraw/zinc/55/19/91/917551991.db2.gz JUQQVJOJWVNPRD-LLVKDONJSA-N 0 0 392.253 3.914 20 10 GHCDRN CN(C)c1ccc(N=Nc2cccc(C(=O)N3CCNCC(F)(F)C3)c2)cc1 ZINC001190963574 917667456 /nfs/dbraw/zinc/66/74/56/917667456.db2.gz CVOZMZFVTRIZQF-UHFFFAOYSA-N 0 0 387.434 3.849 20 10 GHCDRN Cc1cc(Br)cc(S(=O)(=O)Nc2cc(F)c(O)c(F)c2)c1 ZINC001191304560 917906988 /nfs/dbraw/zinc/90/69/88/917906988.db2.gz LTBQHJURZMANOL-UHFFFAOYSA-N 0 0 378.194 3.542 20 10 GHCDRN COC(=O)c1cc(C)ccc1S(=O)(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC001191472535 918008988 /nfs/dbraw/zinc/00/89/88/918008988.db2.gz AFEVFDWKBLKZMG-UHFFFAOYSA-N 0 0 387.457 3.658 20 10 GHCDRN Cc1c(C)n(C)c2ccc(OS(=O)(=O)CCc3ccccc3[N+](=O)[O-])cc12 ZINC001191475704 918012337 /nfs/dbraw/zinc/01/23/37/918012337.db2.gz VDWVBHJRQNURAX-UHFFFAOYSA-N 0 0 388.445 3.655 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)Cc1cccc(Cl)c1 ZINC001191466534 918031888 /nfs/dbraw/zinc/03/18/88/918031888.db2.gz SCNKJJIWIZIBIE-OAHLLOKOSA-N 0 0 380.941 3.765 20 10 GHCDRN COc1ccc(S(=O)(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c(C)c1C ZINC001191466795 918032037 /nfs/dbraw/zinc/03/20/37/918032037.db2.gz WTDRXZBMECKXAP-OAHLLOKOSA-N 0 0 390.549 3.596 20 10 GHCDRN CN(C(=O)OC(C)(C)C)c1ccccc1C(=O)N1CCc2cccc(O)c2C1 ZINC001191536595 918049160 /nfs/dbraw/zinc/04/91/60/918049160.db2.gz NFHXVHOYLZGTQA-UHFFFAOYSA-N 0 0 382.460 3.962 20 10 GHCDRN Cc1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n(-c2nc(C)cc(C)n2)n1 ZINC000775465133 918052739 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CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000750038738 927399859 /nfs/dbraw/zinc/39/98/59/927399859.db2.gz JVKNZZZJFQECJC-OAHLLOKOSA-N 0 0 382.888 3.737 20 10 GHCDRN COc1cccc(C(C)(C)CNC(=O)NCCCSc2nccs2)c1 ZINC000750346182 927571061 /nfs/dbraw/zinc/57/10/61/927571061.db2.gz NZOSALUNNXLMEA-UHFFFAOYSA-N 0 0 379.551 3.911 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2c(F)cc(N)cc2F)c(C)n1-c1ccccc1 ZINC000750359497 927576640 /nfs/dbraw/zinc/57/66/40/927576640.db2.gz TUKBPSHDKXKRFP-UHFFFAOYSA-N 0 0 384.382 3.994 20 10 GHCDRN COCCc1noc(COC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)n1 ZINC000750412249 927613181 /nfs/dbraw/zinc/61/31/81/927613181.db2.gz OFDOFYSKOJSGMK-UHFFFAOYSA-N 0 0 383.448 3.640 20 10 GHCDRN Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c(O)c1O ZINC000750619714 927757644 /nfs/dbraw/zinc/75/76/44/927757644.db2.gz STMVBYUJPICVSJ-SNVBAGLBSA-N 0 0 383.322 3.609 20 10 GHCDRN Cc1cc(C(=O)NCCC(=O)Nc2cccnc2)c(C)n1-c1cccc(C)c1 ZINC000750844288 927889518 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KRGLQJAQJFJRMJ-DTWKUNHWSA-N 0 0 385.199 3.581 20 10 GHCDRN C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1cc(Br)c(F)cc1[O-] ZINC000756502691 1023687507 /nfs/dbraw/zinc/68/75/07/1023687507.db2.gz KRGLQJAQJFJRMJ-RKDXNWHRSA-N 0 0 385.199 3.581 20 10 GHCDRN C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756553125 1023711372 /nfs/dbraw/zinc/71/13/72/1023711372.db2.gz JPBJUBVDZLXPEB-UONOGXRCSA-N 0 0 379.457 3.598 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756582065 1023720655 /nfs/dbraw/zinc/72/06/55/1023720655.db2.gz FMCAXODUIHTPAH-QJPTWQEYSA-N 0 0 387.293 3.591 20 10 GHCDRN C[C@@H](NC(=O)CN(C)c1ccc2c(c1)OCO2)c1ccc(OC(F)(F)F)cc1 ZINC000756655403 1023756611 /nfs/dbraw/zinc/75/66/11/1023756611.db2.gz RVXGEYSDKDQSOA-GFCCVEGCSA-N 0 0 396.365 3.628 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@@H](O)c2c(F)cccc2Cl)c1 ZINC000756732439 1023791315 /nfs/dbraw/zinc/79/13/15/1023791315.db2.gz LXMHVBSQYMHNKI-CSJMPQKXSA-N 0 0 381.831 3.744 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000756938787 1023877044 /nfs/dbraw/zinc/87/70/44/1023877044.db2.gz SWCVJDBYDJOERO-UHFFFAOYSA-N 0 0 379.504 3.696 20 10 GHCDRN Cc1cc(C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)c(C)n1-c1cccc(Cl)c1 ZINC000757000274 1023904241 /nfs/dbraw/zinc/90/42/41/1023904241.db2.gz DALZRVWLYBNQJC-PMACEKPBSA-N 0 0 388.895 3.768 20 10 GHCDRN Cc1cc(C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000757001619 1023904306 /nfs/dbraw/zinc/90/43/06/1023904306.db2.gz XLGBPHXZDYPCIS-FCHUYYIVSA-N 0 0 382.504 3.731 20 10 GHCDRN CN1CCOc2cc(CN3Cc4cnc(-c5ccc(F)cc5)nc4C3)ccc21 ZINC001141145793 1023965962 /nfs/dbraw/zinc/96/59/62/1023965962.db2.gz ZUTVCIUPMVNMHF-UHFFFAOYSA-N 0 0 376.435 3.627 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C(=O)OC(C)(C)C)C2CCCC2)c1 ZINC000830541031 1023976848 /nfs/dbraw/zinc/97/68/48/1023976848.db2.gz RCSRLJXOOKXONB-FZKQIMNGSA-N 0 0 377.481 3.726 20 10 GHCDRN CC[C@H](COCC(F)(F)F)NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001228921465 1033178206 /nfs/dbraw/zinc/17/82/06/1033178206.db2.gz WRIGTXYKDDKPKV-MRXNPFEDSA-N 0 0 387.446 3.786 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCO[C@@H](c3nccn3C)C2)c(C)n1-c1ccccc1C ZINC000837179389 1024194529 /nfs/dbraw/zinc/19/45/29/1024194529.db2.gz VENRFXJFKSUAOF-GHTZIAJQSA-N 0 0 392.503 3.786 20 10 GHCDRN O=C(c1cnn2cccc(Cl)c12)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000830900431 1024229498 /nfs/dbraw/zinc/22/94/98/1024229498.db2.gz XXZKZDXLAMSZJI-OAHLLOKOSA-N 0 0 385.851 3.515 20 10 GHCDRN COc1ccc(-c2nnc(N(C)Cc3ccccc3O)n2CC2CC2)c(OC)c1 ZINC000830912010 1024238856 /nfs/dbraw/zinc/23/88/56/1024238856.db2.gz PXFYSBTVVTXRGX-UHFFFAOYSA-N 0 0 394.475 3.714 20 10 GHCDRN COCCN(Cc1c(C)nn(C)c1C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000837261322 1024298144 /nfs/dbraw/zinc/29/81/44/1024298144.db2.gz YCTSGASQHYRFKO-UHFFFAOYSA-N 0 0 394.519 3.733 20 10 GHCDRN c1c(CN2CCCCC2)nc2n1CCN(Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138218858 1024390921 /nfs/dbraw/zinc/39/09/21/1024390921.db2.gz WNWPOMOBFUGAKT-UHFFFAOYSA-N 0 0 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C[C@@H]1CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)[C@@H]2CCCC[C@@H]21 ZINC000838740438 1025338550 /nfs/dbraw/zinc/33/85/50/1025338550.db2.gz XCPLQOHAJWRVHX-IDHHARJASA-N 0 0 393.478 3.522 20 10 GHCDRN CCOc1ccc(NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000838744879 1025340737 /nfs/dbraw/zinc/34/07/37/1025340737.db2.gz PIXDGEIWNUVBBW-UHFFFAOYSA-N 0 0 391.418 3.522 20 10 GHCDRN CSc1ccc(NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000838746483 1025341405 /nfs/dbraw/zinc/34/14/05/1025341405.db2.gz IXCZMWMHPYZFHX-UHFFFAOYSA-N 0 0 393.459 3.845 20 10 GHCDRN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838747910 1025343378 /nfs/dbraw/zinc/34/33/78/1025343378.db2.gz ZMTMKBGKWATWDU-SIXWZSSISA-N 0 0 393.478 3.664 20 10 GHCDRN CC(C)(C)OC(=O)N1CCOc2ccc(NC(=O)C3=CC(=O)CS3)cc2C1 ZINC000832355639 1025475762 /nfs/dbraw/zinc/47/57/62/1025475762.db2.gz QZIMZYMFBAYKCA-UHFFFAOYSA-N 0 0 390.461 3.836 20 10 GHCDRN CC(C)(C)OC(=O)NCC1(C[NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000839054378 1025545796 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390.487 3.517 20 10 GHCDRN O=C(Cc1ccc(O)c(O)c1)N[C@H](c1c[nH]c2cccc(F)c21)C(F)(F)F ZINC001162954592 1025983281 /nfs/dbraw/zinc/98/32/81/1025983281.db2.gz TVRSDUPYCBQBLX-QGZVFWFLSA-N 0 0 382.313 3.681 20 10 GHCDRN CN(C)c1ccc(CNC(=O)CN2CCCC[C@H]2c2nc3ccccc3o2)cc1 ZINC000839523327 1026004821 /nfs/dbraw/zinc/00/48/21/1026004821.db2.gz MDGXOLYHWJRXOB-FQEVSTJZSA-N 0 0 392.503 3.737 20 10 GHCDRN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)n1 ZINC001163487511 1026211269 /nfs/dbraw/zinc/21/12/69/1026211269.db2.gz PEEXQMNBWSWSGD-KRWDZBQOSA-N 0 0 385.420 3.834 20 10 GHCDRN COc1ccc(N2CCN(C(=O)C[C@@H](c3ccc(O)cc3)C3CC3)CC2)cc1F ZINC000839701588 1026212686 /nfs/dbraw/zinc/21/26/86/1026212686.db2.gz YCBDEGWILMFGNY-HXUWFJFHSA-N 0 0 398.478 3.772 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNc3ccc([N+](=O)[O-])c(OC(C)C)n3)C2)cc1 ZINC001163566199 1026237051 /nfs/dbraw/zinc/23/70/51/1026237051.db2.gz RSSVZZQIKIUPTI-HNNXBMFYSA-N 0 0 386.452 3.724 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@H](c3nnc(C)[nH]3)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000839885611 1026329470 /nfs/dbraw/zinc/32/94/70/1026329470.db2.gz RZLVGFLEGKZJRY-HNNXBMFYSA-N 0 0 383.883 3.804 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@H](N3CCCC3=O)CC2)c(C)n1-c1ccc(F)cc1 ZINC000839894850 1026334668 /nfs/dbraw/zinc/33/46/68/1026334668.db2.gz CKFMYOFDNRFWKX-IBGZPJMESA-N 0 0 397.494 3.850 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc(Cn2cccn2)cc1 ZINC000839914651 1026344074 /nfs/dbraw/zinc/34/40/74/1026344074.db2.gz APWAVHUVRBASQK-SFHVURJKSA-N 0 0 376.504 3.667 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000839916314 1026344915 /nfs/dbraw/zinc/34/49/15/1026344915.db2.gz ROXSCQZRNQVXCR-INIZCTEOSA-N 0 0 379.504 3.697 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cccn1Cc1ccncc1 ZINC000839918164 1026345954 /nfs/dbraw/zinc/34/59/54/1026345954.db2.gz KJRBXLGDNKPSGS-GOSISDBHSA-N 0 0 376.504 3.667 20 10 GHCDRN COc1ccc(N2CCN(Cc3cc(Br)cnc3F)CC2)c(C)c1 ZINC001140006387 1026793400 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Clc1cc(Nc2ccc3c(c2)OCCN3)c(I)cn1 ZINC001209704756 1027104969 /nfs/dbraw/zinc/10/49/69/1027104969.db2.gz IHVZSFFROXHZOG-UHFFFAOYSA-N 0 0 387.608 3.888 20 10 GHCDRN COc1cccc(Nc2ccc3c(c2)OCCN3)c1I ZINC001209788861 1027193099 /nfs/dbraw/zinc/19/30/99/1027193099.db2.gz IOLKRYHOIMCQPG-UHFFFAOYSA-N 0 0 382.201 3.848 20 10 GHCDRN COC(=O)Cc1cccc(NC(=O)NCc2cc(C)n(-c3ccccc3)c2C)n1 ZINC001203366715 1027297135 /nfs/dbraw/zinc/29/71/35/1027297135.db2.gz ZQKYXDVZWPZGPX-UHFFFAOYSA-N 0 0 392.459 3.526 20 10 GHCDRN COc1ncc(Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1[N+](=O)[O-] ZINC001210138076 1027354475 /nfs/dbraw/zinc/35/44/75/1027354475.db2.gz KSCGGNXKUPDGTF-UHFFFAOYSA-N 0 0 375.340 3.517 20 10 GHCDRN CN(C)C(=O)N1CCCC12CC[NH+](Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC001203580787 1027448547 /nfs/dbraw/zinc/44/85/47/1027448547.db2.gz XRTVOEJDHIMGOV-UHFFFAOYSA-N 0 0 386.323 3.811 20 10 GHCDRN CCOc1cccc(CN2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)c1O ZINC001203613992 1027478509 /nfs/dbraw/zinc/47/85/09/1027478509.db2.gz MCEINUPESOKHHZ-IBGZPJMESA-N 0 0 382.504 3.633 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cc(Br)ccc2O)CC12CC2 ZINC001203635894 1027494654 /nfs/dbraw/zinc/49/46/54/1027494654.db2.gz KBLMREUQVXMFBI-OAHLLOKOSA-N 0 0 397.313 3.644 20 10 GHCDRN Oc1ccc(Cl)cc1CN1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001203656130 1027511923 /nfs/dbraw/zinc/51/19/23/1027511923.db2.gz JACGIULOAQDPBI-LAUBAEHRSA-N 0 0 388.895 3.891 20 10 GHCDRN CCCO[C@H]1CCCN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000840480623 1027564746 /nfs/dbraw/zinc/56/47/46/1027564746.db2.gz XIDIIXJAORJJBW-NQIIRXRSSA-N 0 0 375.557 3.983 20 10 GHCDRN COCC[C@@H]1CCCCN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC000840480908 1027564935 /nfs/dbraw/zinc/56/49/35/1027564935.db2.gz FRKZGCWTXXPRML-MOPGFXCFSA-N 0 0 375.557 3.840 20 10 GHCDRN Cc1ccnc(C2CCN(C(=O)N[C@H](C)Cc3ccc(N(C)C)cc3C)CC2)n1 ZINC000840481525 1027566042 /nfs/dbraw/zinc/56/60/42/1027566042.db2.gz KDGRVYXJMZRCEW-GOSISDBHSA-N 0 0 395.551 3.680 20 10 GHCDRN C[C@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cccc(O)c1 ZINC001141901741 1027622813 /nfs/dbraw/zinc/62/28/13/1027622813.db2.gz NFDXDTKQKQFOKB-OAGGEKHMSA-N 0 0 386.467 3.565 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)/C=C\c3ccc(C=O)cc3)cc2F)C[C@@H](C)O1 ZINC001141901972 1027624648 /nfs/dbraw/zinc/62/46/48/1027624648.db2.gz VCEZYPOFGCDUOD-LTRVUTJFSA-N 0 0 396.462 3.581 20 10 GHCDRN CCN(CC)c1ccc(CN2CCc3c(c(COCC4CC4)nn3C)C2)cc1 ZINC001203938543 1027730704 /nfs/dbraw/zinc/73/07/04/1027730704.db2.gz DUZOCQRDZHLVDA-UHFFFAOYSA-N 0 0 382.552 3.751 20 10 GHCDRN CN(C)c1ccc(CN2CC(F)(F)CC[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC001203936882 1027731495 /nfs/dbraw/zinc/73/14/95/1027731495.db2.gz QGDTVGUZWIWORO-QGZVFWFLSA-N 0 0 383.483 3.877 20 10 GHCDRN CCN(CC)c1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)cc1 ZINC001203940321 1027736696 /nfs/dbraw/zinc/73/66/96/1027736696.db2.gz MKAVSXDLBFMSIU-RBZQAINGSA-N 0 0 395.547 3.876 20 10 GHCDRN CCN(CC)c1ccc(CN2CCn3c(Cc4ccc(F)cc4)nnc3C2)cc1 ZINC001203941932 1027738886 /nfs/dbraw/zinc/73/88/86/1027738886.db2.gz HSAAXHUNDSUPNW-UHFFFAOYSA-N 0 0 393.510 3.870 20 10 GHCDRN COC[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(F)c(F)c1 ZINC000840760410 1027799224 /nfs/dbraw/zinc/79/92/24/1027799224.db2.gz XEHKGVFXLUHZSO-LJQANCHMSA-N 0 0 398.400 3.557 20 10 GHCDRN Cc1c([C@H](C)[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)cccc1[N+](=O)[O-] ZINC000840761273 1027802104 /nfs/dbraw/zinc/80/21/04/1027802104.db2.gz VESXWBPXMHSKMR-AWEZNQCLSA-N 0 0 391.418 3.869 20 10 GHCDRN Nc1ccc2c(c1Nc1ccc(F)c([N+](=O)[O-])c1)C(=O)c1ccccc1C2=O ZINC001211192340 1027833232 /nfs/dbraw/zinc/83/32/32/1027833232.db2.gz QRUYQZBHMLBHCT-UHFFFAOYSA-N 0 0 377.331 3.835 20 10 GHCDRN CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000840842450 1027874905 /nfs/dbraw/zinc/87/49/05/1027874905.db2.gz UEROARRMDUQPNQ-JTQLQIEISA-N 0 0 389.851 3.968 20 10 GHCDRN C[C@@H](NCc1nnc(C2CC2)s1)c1ccc(N2CCOCC2)cc1Cl ZINC000840889774 1027924768 /nfs/dbraw/zinc/92/47/68/1027924768.db2.gz HYBVFSLRCSEOTR-GFCCVEGCSA-N 0 0 378.929 3.756 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNc1ccc(CC(=O)N2CCSCC2)cc1 ZINC000840925892 1027961151 /nfs/dbraw/zinc/96/11/51/1027961151.db2.gz PXCINPSGFUYOSE-UHFFFAOYSA-N 0 0 383.561 3.791 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNCc1csc(CNC(=O)c2ccccc2)n1 ZINC000840935080 1027970737 /nfs/dbraw/zinc/97/07/37/1027970737.db2.gz DREQSSNZFHQSDK-UHFFFAOYSA-N 0 0 394.544 3.737 20 10 GHCDRN Cc1cc(C(=O)N2CCOCC2)ccc1NCc1cc(Cl)cc(F)c1O ZINC000840952798 1027982903 /nfs/dbraw/zinc/98/29/03/1027982903.db2.gz ULEPMAVULNJVFR-UHFFFAOYSA-N 0 0 378.831 3.578 20 10 GHCDRN CCOc1cccc(C[NH2+]Cc2cc(Cl)cc(S(=O)(=O)CC)c2)c1O ZINC000840956260 1027985595 /nfs/dbraw/zinc/98/55/95/1027985595.db2.gz NKVSAWNDCLTCBF-UHFFFAOYSA-N 0 0 383.897 3.528 20 10 GHCDRN CCC[C@@H](NC(=O)C(=O)Nc1ccc(N)cc1)c1cccc(C(F)(F)F)c1 ZINC000841029392 1028055372 /nfs/dbraw/zinc/05/53/72/1028055372.db2.gz ODOYIFCEFAOLAW-MRXNPFEDSA-N 0 0 379.382 3.884 20 10 GHCDRN Nc1ccc(NC(=O)C(=O)N2CCC(c3cccc(Cl)c3Cl)CC2)cc1 ZINC000841134099 1028198715 /nfs/dbraw/zinc/19/87/15/1028198715.db2.gz LHVWXCBQNAUMFX-UHFFFAOYSA-N 0 0 392.286 3.920 20 10 GHCDRN CC(C)(C)c1nc[nH]c1CN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001142242285 1028454500 /nfs/dbraw/zinc/45/45/00/1028454500.db2.gz FVARCLCJHXTYFY-UHFFFAOYSA-N 0 0 382.430 3.928 20 10 GHCDRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cccc(S(C)(=O)=O)c2)SC1=S ZINC000841495468 1028696624 /nfs/dbraw/zinc/69/66/24/1028696624.db2.gz JXALYHSZAFFIHW-AQXUCWCGSA-N 0 0 395.571 3.870 20 10 GHCDRN Cc1ncccc1OC[C@H]1CCCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841580303 1028741819 /nfs/dbraw/zinc/74/18/19/1028741819.db2.gz IIGKCEHGSJNONB-OAQYLSRUSA-N 0 0 394.519 3.743 20 10 GHCDRN COCCOc1ncc(-c2nc(-c3ccc(-n4c(C)ccc4C)cc3)no2)cn1 ZINC001214581232 1028804871 /nfs/dbraw/zinc/80/48/71/1028804871.db2.gz ARZVFSWFIZRCNR-UHFFFAOYSA-N 0 0 391.431 3.626 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1ccc(C(F)(F)F)nn1 ZINC000841692098 1028844335 /nfs/dbraw/zinc/84/43/35/1028844335.db2.gz DLGPZGPWCLGGGB-GFCCVEGCSA-N 0 0 381.402 3.623 20 10 GHCDRN C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)NCCc1ccc(N)cc1 ZINC000841736050 1028896138 /nfs/dbraw/zinc/89/61/38/1028896138.db2.gz ZOKRETNXHUKTOF-ZDUSSCGKSA-N 0 0 381.398 3.597 20 10 GHCDRN C[C@@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1ccc(Cl)cc1[O-] ZINC000841744265 1028905931 /nfs/dbraw/zinc/90/59/31/1028905931.db2.gz GPIWBTZLLORGNH-OAHLLOKOSA-N 0 0 387.911 3.799 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)Nc1cccc([C@@H]2CCC(=O)N2)c1 ZINC000841762464 1028920145 /nfs/dbraw/zinc/92/01/45/1028920145.db2.gz OSKNIOFVTDYDMX-FQEVSTJZSA-N 0 0 378.476 3.560 20 10 GHCDRN O=C(NCc1cc(Cl)ccc1O)Nc1cc(N2CCCC2=O)ccc1F ZINC001214815589 1028921253 /nfs/dbraw/zinc/92/12/53/1028921253.db2.gz VRNOAGKFXJMQNP-UHFFFAOYSA-N 0 0 377.803 3.633 20 10 GHCDRN CCOC(=O)c1snnc1-c1nc(-c2cc(C)cc(Br)c2)no1 ZINC001214859394 1028941499 /nfs/dbraw/zinc/94/14/99/1028941499.db2.gz FCEDMCDYJSLOOE-UHFFFAOYSA-N 0 0 395.238 3.503 20 10 GHCDRN CCOC(=O)c1snnc1-c1nc(-c2cccc3cc(OC)ccc32)no1 ZINC001214859365 1028941725 /nfs/dbraw/zinc/94/17/25/1028941725.db2.gz DEOQSQYONKRNNT-UHFFFAOYSA-N 0 0 382.401 3.594 20 10 GHCDRN CC(C)COc1cccc(OCC(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC001142465275 1028971174 /nfs/dbraw/zinc/97/11/74/1028971174.db2.gz FUIDXOJSRCFXAF-UHFFFAOYSA-N 0 0 382.504 3.799 20 10 GHCDRN CC(C)Oc1ccc(NCc2c(O)cccc2Br)cc1C(N)=O ZINC001461464762 1069561386 /nfs/dbraw/zinc/56/13/86/1069561386.db2.gz NVQJULSPRINBKM-UHFFFAOYSA-N 0 0 379.254 3.653 20 10 GHCDRN COc1cc(F)c(Br)cc1NCc1cc(OC)c(OC)cc1O ZINC000841889384 1028988686 /nfs/dbraw/zinc/98/86/86/1028988686.db2.gz ADHAOABOHZMOQS-UHFFFAOYSA-N 0 0 386.217 3.932 20 10 GHCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001142512730 1029015003 /nfs/dbraw/zinc/01/50/03/1029015003.db2.gz JKCNYLHEYMJLCY-CTNGQTDRSA-N 0 0 390.430 3.516 20 10 GHCDRN CC(C)OCc1nn(CC2CC2)c2c1CN(Cc1cc(F)c(F)cc1O)CC2 ZINC001142512908 1029016587 /nfs/dbraw/zinc/01/65/87/1029016587.db2.gz PJVAHDACLXWYPD-UHFFFAOYSA-N 0 0 391.462 3.760 20 10 GHCDRN [O-]c1cc(F)c(F)cc1C[NH+]1CCC2(CCOC[C@@H]2COCC2CC2)CC1 ZINC001142517311 1029021237 /nfs/dbraw/zinc/02/12/37/1029021237.db2.gz IJHHXHQTHDGJSY-QGZVFWFLSA-N 0 0 381.463 3.716 20 10 GHCDRN CN1C[C@H](c2ccccc2)C2(CC[NH+](Cc3cc(F)c(F)cc3[O-])CC2)C1=O ZINC001142517307 1029022687 /nfs/dbraw/zinc/02/26/87/1029022687.db2.gz IIANUDRBXBLSCM-QGZVFWFLSA-N 0 0 386.442 3.508 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cc(C)cc(N)c1 ZINC000842003199 1029030304 /nfs/dbraw/zinc/03/03/04/1029030304.db2.gz FRSNWJUPVLHTGK-UHFFFAOYSA-N 0 0 392.297 3.777 20 10 GHCDRN Oc1ccc(-c2nc(-c3cc(Br)cc(F)c3F)no2)c(O)c1O ZINC001215325389 1029153276 /nfs/dbraw/zinc/15/32/76/1029153276.db2.gz QFSHNSQKPLOXSS-UHFFFAOYSA-N 0 0 385.120 3.561 20 10 GHCDRN Oc1ccc(-c2nc(-c3cc(Cl)ccc3Br)no2)c(O)c1O ZINC001215325326 1029153484 /nfs/dbraw/zinc/15/34/84/1029153484.db2.gz MIIMOKFEIOMVJL-UHFFFAOYSA-N 0 0 383.585 3.936 20 10 GHCDRN Cc1cc(Br)c(O)c(CNc2cc(S(C)(=O)=O)ccc2C)c1 ZINC000842212413 1029154252 /nfs/dbraw/zinc/15/42/52/1029154252.db2.gz AMHFQHPTIPWBCM-UHFFFAOYSA-N 0 0 384.295 3.787 20 10 GHCDRN Cc1c(NC/C=C\c2ccc(N(C)C)cc2)cccc1S(=O)(=O)NC1CC1 ZINC001461492318 1069575789 /nfs/dbraw/zinc/57/57/89/1069575789.db2.gz UJGWATZSDSMVLP-WAYWQWQTSA-N 0 0 385.533 3.627 20 10 GHCDRN CCN(c1ccc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1)C(C)C ZINC001461494800 1069576420 /nfs/dbraw/zinc/57/64/20/1069576420.db2.gz KGABNQDMYUBFLH-LJQANCHMSA-N 0 0 381.520 3.939 20 10 GHCDRN COCOc1ccc(Nc2ccc(OCCOc3ccc(N)cc3)cc2)cn1 ZINC001215668313 1029336068 /nfs/dbraw/zinc/33/60/68/1029336068.db2.gz YAEMTCXEVMYLRG-UHFFFAOYSA-N 0 0 381.432 3.848 20 10 GHCDRN COC(=O)c1cc(Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)ccc1F ZINC001215854129 1029425821 /nfs/dbraw/zinc/42/58/21/1029425821.db2.gz FJUUOZYFOLRLOF-UHFFFAOYSA-N 0 0 391.354 3.837 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)Nc1nc(-c2ccccc2)no1 ZINC001216456299 1029645970 /nfs/dbraw/zinc/64/59/70/1029645970.db2.gz XWPAFXSYGJLUTB-UHFFFAOYSA-N 0 0 389.209 3.526 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)C3(c4cccnc4)CCCC3)C2)cc1 ZINC000842872601 1029648265 /nfs/dbraw/zinc/64/82/65/1029648265.db2.gz BNPUKZYZDYWROT-SFHVURJKSA-N 0 0 380.488 3.972 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)Cc3c[nH]c4cccc(OC)c34)C2)cc1 ZINC000842876513 1029653920 /nfs/dbraw/zinc/65/39/20/1029653920.db2.gz UENXBPXDAPCXLA-MRXNPFEDSA-N 0 0 394.471 3.797 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)Cc3nc(-c4ccco4)oc3C)C2)cc1 ZINC000842877823 1029654695 /nfs/dbraw/zinc/65/46/95/1029654695.db2.gz IJYUAZRRUUVCLL-MRXNPFEDSA-N 0 0 396.443 3.864 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)c3cnc(-c4ccncc4)s3)C2)cc1 ZINC000842877504 1029654731 /nfs/dbraw/zinc/65/47/31/1029654731.db2.gz BQMXLVWSTJQDHA-OAHLLOKOSA-N 0 0 395.484 3.897 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3ncsc3C(F)(F)F)C2)cc1 ZINC000842876951 1029654820 /nfs/dbraw/zinc/65/48/20/1029654820.db2.gz YOTOGKPNROLLMR-NSHDSACASA-N 0 0 386.395 3.854 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)COC/C=C/c3ccccc3)C2)cc1 ZINC000842879603 1029656439 /nfs/dbraw/zinc/65/64/39/1029656439.db2.gz RUCWNYNTQBHTCB-MUPIXQSSSA-N 0 0 381.472 3.795 20 10 GHCDRN CCS(=O)(=O)Nc1ccc(-n2c(=N)ccc(/N=N/c3ccccc3)c2N)cc1 ZINC001216648495 1029715360 /nfs/dbraw/zinc/71/53/60/1029715360.db2.gz PYSPHEBDMCUKQN-SMLNAYLFSA-N 0 0 396.476 3.716 20 10 GHCDRN Cn1c2ccc(OC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)cc2c2c1CCCC2 ZINC000843018766 1029761353 /nfs/dbraw/zinc/76/13/53/1029761353.db2.gz CWYOJYOLTOVJMI-MRXNPFEDSA-N 0 0 380.488 3.611 20 10 GHCDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)c1nc(Cc2ccc(N)cc2)no1 ZINC000843162485 1029836710 /nfs/dbraw/zinc/83/67/10/1029836710.db2.gz YSRGPRKJCNWSSP-JTQLQIEISA-N 0 0 379.386 3.770 20 10 GHCDRN CC(C)N(C)Cc1nnc2n1CCCN(Cc1cccc(C(C)(C)C)c1O)C2 ZINC001143110997 1029848223 /nfs/dbraw/zinc/84/82/23/1029848223.db2.gz ULUDYCGKENNCOA-UHFFFAOYSA-N 0 0 385.556 3.527 20 10 GHCDRN CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)CN1CCCC1=O ZINC001143243592 1029940540 /nfs/dbraw/zinc/94/05/40/1029940540.db2.gz SHUDHKXRPBFKAB-UHFFFAOYSA-N 0 0 388.511 3.688 20 10 GHCDRN COc1ccc(-c2noc(-c3cc(O)c(O)c(OC)c3)n2)cc1C(F)(F)F ZINC001216944263 1030017257 /nfs/dbraw/zinc/01/72/57/1030017257.db2.gz KVXCTSUVHGQBGE-UHFFFAOYSA-N 0 0 382.294 3.851 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3ccc(OCCO)cc3O)n2)cc1 ZINC001217024285 1030101172 /nfs/dbraw/zinc/10/11/72/1030101172.db2.gz JKJCBOSYUZMVFJ-UHFFFAOYSA-N 0 0 391.427 3.888 20 10 GHCDRN CC(C)CC1(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC001222394057 1030104802 /nfs/dbraw/zinc/10/48/02/1030104802.db2.gz WUYGHCRSNPEHQD-UHFFFAOYSA-N 0 0 399.457 3.920 20 10 GHCDRN Cc1cc(C(=O)NC[C@H](O)COc2cccc(C)c2)c(C)n1-c1cccc(C)c1 ZINC001149569846 1030227910 /nfs/dbraw/zinc/22/79/10/1030227910.db2.gz LLJWVCYBFRXYFL-NRFANRHFSA-N 0 0 392.499 3.881 20 10 GHCDRN Cc1cc2c(NC(=O)C=Cc3ccc(O)c(O)c3)n[nH]c2c(Br)c1 ZINC001149635970 1030249815 /nfs/dbraw/zinc/24/98/15/1030249815.db2.gz UZNBRWPHXGCYJZ-HWKANZROSA-N 0 0 388.221 3.697 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3cc(C)ccc3NC3CC3)CC2)cc1F ZINC001150239677 1030462212 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3.878 20 10 GHCDRN COC(=O)c1cc2cccc(NC(=O)NCc3cccc(OC)c3O)c2s1 ZINC001218768379 1031074585 /nfs/dbraw/zinc/07/45/85/1031074585.db2.gz YURUZTMSQSDDRK-UHFFFAOYSA-N 0 0 386.429 3.724 20 10 GHCDRN Cc1cc(C(=O)Nc2cccc3c2NC(=O)CO3)c(C)n1-c1ccc(F)cc1 ZINC001152908627 1031391925 /nfs/dbraw/zinc/39/19/25/1031391925.db2.gz ACBHZIBWDOFAQR-UHFFFAOYSA-N 0 0 379.391 3.816 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N[C@H](CCc2ccccc2)C(F)F)cc1F ZINC001219990832 1031731254 /nfs/dbraw/zinc/73/12/54/1031731254.db2.gz VHEZUJBJCHEPMJ-QGZVFWFLSA-N 0 0 379.426 3.957 20 10 GHCDRN O=C1c2cccc(O)c2C(=O)c2c(OC[C@@H]3CC[C@@]4(CCCCO4)O3)cccc21 ZINC001226380482 1031938879 /nfs/dbraw/zinc/93/88/79/1031938879.db2.gz WINBTVBVEKAHEW-LFVRLGFBSA-N 0 0 394.423 3.622 20 10 GHCDRN N=c1ccc(N=Nc2ccccc2)c(N)n1C(=O)c1n[nH]c2cc(F)ccc21 ZINC001154344052 1032052275 /nfs/dbraw/zinc/05/22/75/1032052275.db2.gz MHKYMNDEJUXUIT-ZKZPHZQUSA-N 0 0 375.367 3.669 20 10 GHCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCC(F)(F)C1 ZINC001229229394 1033354584 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Cc1cc(CC(=O)N2CCCC[C@H]2CCn2ccnn2)c(C)n1-c1ccccc1 ZINC001159291314 1034526315 /nfs/dbraw/zinc/52/63/15/1034526315.db2.gz NEWRVKNFFDDZOP-NRFANRHFSA-N 0 0 391.519 3.700 20 10 GHCDRN COc1cccc(Nc2ccc(NC(=O)NCc3ccc(OC)cc3O)nc2)c1 ZINC001207694326 1034530565 /nfs/dbraw/zinc/53/05/65/1034530565.db2.gz AQAKNIQSKJLVHH-UHFFFAOYSA-N 0 0 394.431 3.870 20 10 GHCDRN O=C([O-])c1ccc(C[NH+]2CCN(Cc3c(Cl)cccc3Cl)CC2)c(O)c1 ZINC001231452722 1034596828 /nfs/dbraw/zinc/59/68/28/1034596828.db2.gz SUTYOHNLXHLVSX-UHFFFAOYSA-N 0 0 395.286 3.715 20 10 GHCDRN O=C([O-])c1ccc(C[NH+]2CCC(Oc3ccc(F)cc3Cl)CC2)c(O)c1 ZINC001231450574 1034597030 /nfs/dbraw/zinc/59/70/30/1034597030.db2.gz GELWWZFHUPZJMJ-UHFFFAOYSA-N 0 0 379.815 3.926 20 10 GHCDRN C[C@H]1Cc2cc(Br)ccc2C[N@@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231568940 1034717953 /nfs/dbraw/zinc/71/79/53/1034717953.db2.gz RWKMMXZXYDGBMQ-NSHDSACASA-N 0 0 376.250 3.800 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](CO)C3CCCCC3)ccc21 ZINC001159901512 1034781449 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COC(=O)c1cc2c(nc(Cl)nc2NCc2cc3ccccc3cc2O)n1C ZINC001160206604 1034901806 /nfs/dbraw/zinc/90/18/06/1034901806.db2.gz MWHGNRUCDIBVPH-UHFFFAOYSA-N 0 0 396.834 3.879 20 10 GHCDRN CCOC[C@H]1CN(Cc2ccc(N(C)C)cc2OC)Cc2cnn(CC3CC3)c21 ZINC001231852466 1034943882 /nfs/dbraw/zinc/94/38/82/1034943882.db2.gz KZKOHUSSTGINHG-HXUWFJFHSA-N 0 0 398.551 3.504 20 10 GHCDRN CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1Cc1ccc2ccccc2c1O ZINC001231879144 1034962488 /nfs/dbraw/zinc/96/24/88/1034962488.db2.gz WWVLAUDXUGMEKQ-NRFANRHFSA-N 0 0 392.503 3.558 20 10 GHCDRN CC(C)(C)c1nnc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)s1 ZINC001160562877 1035003029 /nfs/dbraw/zinc/00/30/29/1035003029.db2.gz IBFKLIXLRZTHBY-UHFFFAOYSA-N 0 0 378.461 3.798 20 10 GHCDRN Nc1ccc(CC(=O)N2CCC3(COc4ccc(C(F)(F)F)cc43)CC2)cc1 ZINC001160767086 1035062692 /nfs/dbraw/zinc/06/26/92/1035062692.db2.gz RYARPMPRECDIAZ-UHFFFAOYSA-N 0 0 390.405 3.783 20 10 GHCDRN Cc1sc2nc(CN3CCOCC3)nc(NCc3cccc(C)c3O)c2c1C ZINC001160769596 1035063422 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COC(=O)c1ccc(CN(C)C(=O)c2sccc2-n2c(C)ccc2C)nc1 ZINC001161539442 1035253656 /nfs/dbraw/zinc/25/36/56/1035253656.db2.gz KNOOAZFEGVVQPX-UHFFFAOYSA-N 0 0 383.473 3.609 20 10 GHCDRN Cc1cc(CC(=O)N2CCC[C@H](n3ccnn3)C2)c(C)n1-c1ccc(Cl)cc1 ZINC001276650983 1035314394 /nfs/dbraw/zinc/31/43/94/1035314394.db2.gz LWXLYGUMAQVLEU-FQEVSTJZSA-N 0 0 397.910 3.745 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)Nc3cccc(-c4ccon4)c3)C2)cc1 ZINC001209582144 1035317743 /nfs/dbraw/zinc/31/77/43/1035317743.db2.gz NIGOCBUSIQDURA-MRXNPFEDSA-N 0 0 392.459 3.998 20 10 GHCDRN CC(C)(C)OC(=O)Nc1ncc(-c2cc(N3CCc4ccccc43)ncn2)cn1 ZINC001241850138 1035720174 /nfs/dbraw/zinc/72/01/74/1035720174.db2.gz QYDIKVZQQXPOJR-UHFFFAOYSA-N 0 0 390.447 3.975 20 10 GHCDRN COc1cc(O)c(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc1I ZINC001248469492 1035897078 /nfs/dbraw/zinc/89/70/78/1035897078.db2.gz NJJNZRWUACTSSM-SMDDNHRTSA-N 0 0 387.261 3.770 20 10 GHCDRN CCC[N@@H+](Cc1ccc(OC)c(I)c1[O-])CC1CC1 ZINC001248476687 1035903691 /nfs/dbraw/zinc/90/36/91/1035903691.db2.gz MFXNWRGAQJKBGO-UHFFFAOYSA-N 0 0 375.250 3.627 20 10 GHCDRN COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H](C)C2)c([O-])c1I ZINC001248481676 1035908530 /nfs/dbraw/zinc/90/85/30/1035908530.db2.gz AZMAGAWLBAXUEE-VXGBXAGGSA-N 0 0 389.277 3.873 20 10 GHCDRN CC(C)(C)C(=O)OCn1ccc2c1ncnc2-c1cnccc1Br ZINC001243054659 1036020565 /nfs/dbraw/zinc/02/05/65/1036020565.db2.gz PRLZZAOZVPYKHQ-UHFFFAOYSA-N 0 0 389.253 3.803 20 10 GHCDRN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C[C@H]1COC(C)(C)O1 ZINC001462068337 1069977400 /nfs/dbraw/zinc/97/74/00/1069977400.db2.gz MLWXSUITKROQOI-KRWDZBQOSA-N 0 0 376.497 3.615 20 10 GHCDRN CC(C)(C)c1cc(O)c(CN2CCn3c(Cn4cccn4)cnc3C2)cc1Cl ZINC001248883023 1036223073 /nfs/dbraw/zinc/22/30/73/1036223073.db2.gz SSJNTZLATHSBLU-UHFFFAOYSA-N 0 0 399.926 3.800 20 10 GHCDRN Cc1cc(CNC(=O)Cn2ncc3cc(C)cnc32)c(C)n1-c1cccc(C)c1 ZINC001462087600 1069987889 /nfs/dbraw/zinc/98/78/89/1069987889.db2.gz VQRNWLPARLBZGG-UHFFFAOYSA-N 0 0 387.487 3.772 20 10 GHCDRN COc1ccc2c(c1)CC[N@@H+](Cc1cc(Br)cc(F)c1[O-])CC2 ZINC001462113542 1070002729 /nfs/dbraw/zinc/00/27/29/1070002729.db2.gz UAMHMOAURWVODF-UHFFFAOYSA-N 0 0 380.257 3.903 20 10 GHCDRN CCOC(=O)c1ccccc1NC(=S)NCc1cc(OC2CCC2)ccn1 ZINC001245440619 1036924661 /nfs/dbraw/zinc/92/46/61/1036924661.db2.gz JTPJOWLBUOYVLQ-UHFFFAOYSA-N 0 0 385.489 3.676 20 10 GHCDRN C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H]3c3ccc(Cl)cc3)cc2)CC1 ZINC001246303993 1037286333 /nfs/dbraw/zinc/28/63/33/1037286333.db2.gz SZKQMFCZPIYHIL-OAQYLSRUSA-N 0 0 398.938 3.748 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC001462189492 1070067214 /nfs/dbraw/zinc/06/72/14/1070067214.db2.gz BOFUKTJSZILBHX-NSHDSACASA-N 0 0 395.276 3.669 20 10 GHCDRN COc1cc(O)c(CN2CCn3c(COCC4CC4)cnc3[C@@H]2C)cc1Cl ZINC001232265523 1037986397 /nfs/dbraw/zinc/98/63/97/1037986397.db2.gz NUSZAHLEZOMMOM-ZDUSSCGKSA-N 0 0 391.899 3.754 20 10 GHCDRN COc1cc(O)c(C[N@H+](C)C[C@H]2Cc3cc(OC)c(OC)cc32)cc1Cl ZINC001232267902 1037989678 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BBWWAJTWKGIPNY-INIZCTEOSA-N 0 0 381.476 3.917 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000847245600 1064948844 /nfs/dbraw/zinc/94/88/44/1064948844.db2.gz JQUGXYIQUFSYIJ-GUYCJALGSA-N 0 0 386.414 3.570 20 10 GHCDRN C[C@H](NC(=O)C1CC(O)(CCC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1 ZINC001464528841 1065065952 /nfs/dbraw/zinc/06/59/52/1065065952.db2.gz LCBBPBZGUKOJIE-OYMFQORVSA-N 0 0 388.552 3.668 20 10 GHCDRN O=C(NCCCSc1nccs1)N[C@H](Cc1ccccc1)c1ncco1 ZINC000847335512 1065081865 /nfs/dbraw/zinc/08/18/65/1065081865.db2.gz DILPWCWYKRJZIM-OAHLLOKOSA-N 0 0 388.518 3.897 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCO[C@@H](c2ccccc2)O1 ZINC000847366775 1065143339 /nfs/dbraw/zinc/14/33/39/1065143339.db2.gz XPOGGIYQVRDKKR-FYYLOGMGSA-N 0 0 382.504 3.994 20 10 GHCDRN Cc1ccc(C)n1-c1c(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cnn1C ZINC001352614706 1065177713 /nfs/dbraw/zinc/17/77/13/1065177713.db2.gz ILBBAFVIBFBPGV-UHFFFAOYSA-N 0 0 391.519 3.700 20 10 GHCDRN 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SZYNAWJXTIIFPT-UHFFFAOYSA-N 0 0 393.487 3.942 20 10 GHCDRN C=CC(=O)Nc1cccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC001465840731 1065892269 /nfs/dbraw/zinc/89/22/69/1065892269.db2.gz IEWKEMPSYPQAIO-UHFFFAOYSA-N 0 0 376.412 3.952 20 10 GHCDRN CC[C@H](C)n1nc(C)c(-c2cc(C(=O)NCc3cccc(OC)c3O)[nH]n2)c1C ZINC001465993561 1065949050 /nfs/dbraw/zinc/94/90/50/1065949050.db2.gz SZPAMKXBZOVWPA-LBPRGKRZSA-N 0 0 397.479 3.505 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)Nc2ccc(CCO)cc2)CCCC1 ZINC001466011991 1065955354 /nfs/dbraw/zinc/95/53/54/1065955354.db2.gz HPBWPVJBCJPJNB-UHFFFAOYSA-N 0 0 378.472 3.702 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3ccc(OCC(F)(F)F)o3)C2)cc1 ZINC000847735528 1065994471 /nfs/dbraw/zinc/99/44/71/1065994471.db2.gz PWRWBTDQSQTQCV-ZDUSSCGKSA-N 0 0 399.365 3.913 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)c3ccc(OC(F)F)cc3F)CC2)cc1 ZINC001466210039 1066036960 /nfs/dbraw/zinc/03/69/60/1066036960.db2.gz AXZOVNHCYAWOEN-UHFFFAOYSA-N 0 0 394.393 3.788 20 10 GHCDRN O=C(NCc1cc(Cl)cc(Cl)c1[O-])Nc1cccc([C@@H]2CCC(=O)N2)c1 ZINC001466857279 1066352325 /nfs/dbraw/zinc/35/23/25/1066352325.db2.gz CYDJRHDWFKJFQO-HNNXBMFYSA-N 0 0 394.258 3.972 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@](C)(O)C2CCCCC2)c1 ZINC001466865199 1066356381 /nfs/dbraw/zinc/35/63/81/1066356381.db2.gz VLTORGCRJNQOHC-HSZRJFAPSA-N 0 0 382.504 3.968 20 10 GHCDRN C[C@H](NC(=O)Nc1cc(C(=O)OC(C)(C)C)ccn1)c1ccc(N(C)C)cc1 ZINC001466981414 1066426633 /nfs/dbraw/zinc/42/66/33/1066426633.db2.gz UMFSRPVCTJKDOC-AWEZNQCLSA-N 0 0 384.480 3.986 20 10 GHCDRN O=C(Cc1c(F)cccc1F)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001357323157 1067045930 /nfs/dbraw/zinc/04/59/30/1067045930.db2.gz ILDLDCIFKBPCCW-UHFFFAOYSA-N 0 0 377.346 3.921 20 10 GHCDRN CCOCCCn1c(C2SC=CC2=O)nnc1N1CCC(CCF)CC1 ZINC001357464886 1067109650 /nfs/dbraw/zinc/10/96/50/1067109650.db2.gz PBSJTIJQHOYEPK-UHFFFAOYSA-N 0 0 382.505 3.715 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(N2CCCCC2)c(F)c1 ZINC001467204973 1067150247 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CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)NCc2cccc(Cl)c2O)C1 ZINC001478467651 1078879752 /nfs/dbraw/zinc/87/97/52/1078879752.db2.gz QAWCCQSEAWQSIL-KGLIPLIRSA-N 0 0 397.903 3.681 20 10 GHCDRN CN(C(=O)/C=C\c1cnc2ccccc2n1)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC001460962556 1069300435 /nfs/dbraw/zinc/30/04/35/1069300435.db2.gz HIRWEWZBQXHPFO-KAMYIIQDSA-N 0 0 388.471 3.834 20 10 GHCDRN COc1ccc(N2CCN(C(=O)NC[C@@H]3CCC[C@@H](C)[C@@H]3C)CC2)c(OC)c1 ZINC001478548231 1078913298 /nfs/dbraw/zinc/91/32/98/1078913298.db2.gz FMDUCQFYCWNNTE-SQNIBIBYSA-N 0 0 389.540 3.608 20 10 GHCDRN COc1ccc([C@@H](NC(=O)NCc2cccc(OC)c2O)c2ccco2)cc1 ZINC001470542368 1072618303 /nfs/dbraw/zinc/61/83/03/1072618303.db2.gz UTZNHLQSCWYUTB-LJQANCHMSA-N 0 0 382.416 3.591 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N3CC([C@@H]4CCC[C@@H](C)C4)C3)C2)cc1 ZINC001470592264 1072638908 /nfs/dbraw/zinc/63/89/08/1072638908.db2.gz AYTYNDDUPOZCRR-GUDVDZBRSA-N 0 0 385.552 3.989 20 10 GHCDRN CC[C@@H](Cc1ccc(F)cc1)NC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 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ZINC001473225430 1073873747 /nfs/dbraw/zinc/87/37/47/1073873747.db2.gz PLHFJFNGWWDDFV-FDIFFNORSA-N 0 0 392.499 3.894 20 10 GHCDRN CNS(=O)(=O)c1ccc(CN(Cc2ccccc2)c2ccc(OC)cc2)cc1 ZINC001473265345 1073898069 /nfs/dbraw/zinc/89/80/69/1073898069.db2.gz DWGUJSOUSSGCHC-UHFFFAOYSA-N 0 0 396.512 3.810 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2Cc1c(Br)cccc1[N+](=O)[O-] ZINC001473343780 1073928205 /nfs/dbraw/zinc/92/82/05/1073928205.db2.gz BGPROPAUGWSGAI-UHFFFAOYSA-N 0 0 392.253 3.822 20 10 GHCDRN COc1cccc(CNC(=O)N[C@H](Cc2ccccc2)c2ccccn2)c1O ZINC001479495154 1079219377 /nfs/dbraw/zinc/21/93/77/1079219377.db2.gz RPHWUPICWNSKEM-LJQANCHMSA-N 0 0 377.444 3.579 20 10 GHCDRN CCOc1ccc(NC(=O)C[NH2+]Cc2cc(C)cc(Br)c2[O-])cc1 ZINC001473954532 1074216879 /nfs/dbraw/zinc/21/68/79/1074216879.db2.gz GUALUNUJFIYUNL-UHFFFAOYSA-N 0 0 393.281 3.590 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+]CCc2ccn(-c3ccccc3)n2)c1 ZINC001473972462 1074222070 /nfs/dbraw/zinc/22/20/70/1074222070.db2.gz YAUAZMVQPXFKKJ-UHFFFAOYSA-N 0 0 386.293 3.981 20 10 GHCDRN Cc1ccc(NCc2ccc(N3CCCC3)cc2)cc1N1CCCS1(=O)=O ZINC001474050647 1074248398 /nfs/dbraw/zinc/24/83/98/1074248398.db2.gz PKNRCIYRQXOSLS-UHFFFAOYSA-N 0 0 385.533 3.747 20 10 GHCDRN CN(C)c1ccc(/C=C\CNc2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1 ZINC001474141252 1074274917 /nfs/dbraw/zinc/27/49/17/1074274917.db2.gz BDAJHWJPSODICB-FPLPWBNLSA-N 0 0 387.549 3.955 20 10 GHCDRN C[C@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001474379002 1074374807 /nfs/dbraw/zinc/37/48/07/1074374807.db2.gz BXGZOXPOWFCPCG-OAHLLOKOSA-N 0 0 398.894 3.974 20 10 GHCDRN O=S(=O)(NCc1ccco1)c1cccc(NCc2ccc(Cl)cc2O)c1 ZINC001474441600 1074408266 /nfs/dbraw/zinc/40/82/66/1074408266.db2.gz BQBGKCHRSJJZDC-UHFFFAOYSA-N 0 0 392.864 3.729 20 10 GHCDRN COc1c([O-])c(C[NH2+]Cc2ccc(C)c(Br)c2)ccc1[N+](=O)[O-] ZINC001474696486 1074520638 /nfs/dbraw/zinc/52/06/38/1074520638.db2.gz JGRDUAWIADPVLK-UHFFFAOYSA-N 0 0 381.226 3.670 20 10 GHCDRN CCCCn1cc(S(=O)(=O)N(C)Cc2ccc(N(CC)CC)cc2)c(C)n1 ZINC001474811261 1074574796 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ZINC000771584926 875327958 /nfs/dbraw/zinc/32/79/58/875327958.db2.gz ABUDLUNZPHEWAY-UHFFFAOYSA-N 0 0 383.423 3.716 20 10 GHCDRN Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)c1cc2c(s1)=CC=S=2 ZINC000542300640 875330784 /nfs/dbraw/zinc/33/07/84/875330784.db2.gz KJLQGRBXVIENTA-UHFFFAOYSA-N 0 0 381.482 3.817 20 10 GHCDRN COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nccn3C)c2C)cc1 ZINC000005358812 875346150 /nfs/dbraw/zinc/34/61/50/875346150.db2.gz WOTSMDRAYIPIFW-UHFFFAOYSA-N 0 0 383.473 3.589 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000858201569 882935161 /nfs/dbraw/zinc/93/51/61/882935161.db2.gz QAZCGIIOWRODAV-BAGYTPMASA-N 0 0 396.918 3.721 20 10 GHCDRN OC1CCN(c2ccc(CNCc3ccsc3Br)cc2)CC1 ZINC000858195631 882929523 /nfs/dbraw/zinc/92/95/23/882929523.db2.gz YUWQNNCTTRPDAM-UHFFFAOYSA-N 0 0 381.339 3.762 20 10 GHCDRN CC1(C)CCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000771922440 875527601 /nfs/dbraw/zinc/52/76/01/875527601.db2.gz QAPBTYLGESHKEY-INIZCTEOSA-N 0 0 384.442 3.985 20 10 GHCDRN O=C1C[C@H](c2cccc(NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2)CN1 ZINC000772000709 875602779 /nfs/dbraw/zinc/60/27/79/875602779.db2.gz FIXAQQZKKKCWJW-SFHVURJKSA-N 0 0 394.475 3.801 20 10 GHCDRN CC[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1nnc2n1CCCCC2 ZINC000776159918 875651746 /nfs/dbraw/zinc/65/17/46/875651746.db2.gz WPKQFRYWVNFMKQ-MAUKXSAKSA-N 0 0 384.528 3.582 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)NCCc2nn(C)c3ccccc23)C2CC2)cc1 ZINC000776178325 875672636 /nfs/dbraw/zinc/67/26/36/875672636.db2.gz MUJKHMUMPFOCNE-UHFFFAOYSA-N 0 0 391.519 3.556 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)Nc3ccc(-c4cc[nH]n4)cc3)CC2)cc1 ZINC000151613722 875674508 /nfs/dbraw/zinc/67/45/08/875674508.db2.gz FVDWPZKGPCMMJH-UHFFFAOYSA-N 0 0 391.475 3.876 20 10 GHCDRN COc1ccc([C@@H](OC)[C@@H](C)NC(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000772074054 875694186 /nfs/dbraw/zinc/69/41/86/875694186.db2.gz HLEKGBKTXWMONJ-QRQCRPRQSA-N 0 0 398.503 3.855 20 10 GHCDRN COc1ccc([C@H](OC)[C@H](C)NC(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000772074053 875694351 /nfs/dbraw/zinc/69/43/51/875694351.db2.gz HLEKGBKTXWMONJ-OYHNWAKOSA-N 0 0 398.503 3.855 20 10 GHCDRN O=C(NCCCc1nc2ccccc2[nH]1)NCc1c(O)ccc2c1CCCC2 ZINC000174728588 875695103 /nfs/dbraw/zinc/69/51/03/875695103.db2.gz OHPWYCJEOHAGLA-UHFFFAOYSA-N 0 0 378.476 3.579 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NC2(C(N)=O)CCCC2)cc1 ZINC000772116419 875706675 /nfs/dbraw/zinc/70/66/75/875706675.db2.gz PWEFZFVJPQVUNP-UHFFFAOYSA-N 0 0 379.464 3.696 20 10 GHCDRN CC(C)N1CC[C@@H](NC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)C1=O ZINC000772137190 875723765 /nfs/dbraw/zinc/72/37/65/875723765.db2.gz WKSWSSLDMZYWQB-HXUWFJFHSA-N 0 0 393.491 3.907 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccc3[nH]nc(C(=O)OC)c3c2)cc1 ZINC000772327128 875885544 /nfs/dbraw/zinc/88/55/44/875885544.db2.gz XHCKNMXDTZLPCR-UHFFFAOYSA-N 0 0 395.463 3.517 20 10 GHCDRN Cn1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(-c2ccco2)n1 ZINC000529235577 875892055 /nfs/dbraw/zinc/89/20/55/875892055.db2.gz CQTNQPZTYVBJJB-INIZCTEOSA-N 0 0 396.447 3.599 20 10 GHCDRN COc1ccc(C(C)(C)CNC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1OC ZINC000106276420 875918602 /nfs/dbraw/zinc/91/86/02/875918602.db2.gz MSJXSJHBRBSWPZ-UHFFFAOYSA-N 0 0 399.535 3.889 20 10 GHCDRN Nc1ccc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c([N+](=O)[O-])c1 ZINC000804518594 882977687 /nfs/dbraw/zinc/97/76/87/882977687.db2.gz CBORKWCTZALFCD-CYBMUJFWSA-N 0 0 378.379 3.859 20 10 GHCDRN CC[C@H](Oc1cccc(C)c1)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000176381091 875938397 /nfs/dbraw/zinc/93/83/97/875938397.db2.gz ILNXTPQPDGAEJD-QFIPXVFZSA-N 0 0 382.504 3.946 20 10 GHCDRN CC[C@H](C)[C@@H](NC(=O)NCc1cccc(Br)c1O)C(F)(F)F ZINC000772522283 875994467 /nfs/dbraw/zinc/99/44/67/875994467.db2.gz HDPHRMUHZLJNDA-QPUJVOFHSA-N 0 0 383.208 3.931 20 10 GHCDRN C[C@@H](NC(=O)N1CCC(C(=O)OC(C)(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000776237951 875997133 /nfs/dbraw/zinc/99/71/33/875997133.db2.gz KQTWTHLOEKPDQZ-OAHLLOKOSA-N 0 0 375.513 3.577 20 10 GHCDRN CN1C(=O)C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000776252382 876031792 /nfs/dbraw/zinc/03/17/92/876031792.db2.gz SQSSNCXJZWUJDR-DOTOQJQBSA-N 0 0 383.250 3.900 20 10 GHCDRN O=C(Nc1cnn(-c2ccccc2Br)c1)N1Cc2cccc(O)c2C1 ZINC001202195610 876055115 /nfs/dbraw/zinc/05/51/15/876055115.db2.gz MZKOWSJYFRBPIH-UHFFFAOYSA-N 0 0 399.248 3.888 20 10 GHCDRN CCc1nn(C)cc1NCc1cc(Br)cc(Br)c1O ZINC000776256134 876066143 /nfs/dbraw/zinc/06/61/43/876066143.db2.gz LGDGQLIGIVIEKW-UHFFFAOYSA-N 0 0 389.091 3.825 20 10 GHCDRN O=C1[C@H]([NH2+]Cc2cccc(Br)c2[O-])CCCN1C1CCCCC1 ZINC000785546699 876100056 /nfs/dbraw/zinc/10/00/56/876100056.db2.gz ALUNBYIOEFAEDR-MRXNPFEDSA-N 0 0 381.314 3.568 20 10 GHCDRN C[C@H]([NH2+]CCN1CCc2c(Cl)cccc2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000785569840 876134571 /nfs/dbraw/zinc/13/45/71/876134571.db2.gz LCARJSBSHYQYIO-ZDUSSCGKSA-N 0 0 375.856 3.663 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC001202359894 876161749 /nfs/dbraw/zinc/16/17/49/876161749.db2.gz KXZZSNOVNIILBA-UHFFFAOYSA-N 0 0 381.402 3.710 20 10 GHCDRN CC(=O)Nc1nc(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cs1 ZINC000116030295 883017009 /nfs/dbraw/zinc/01/70/09/883017009.db2.gz WRKKXBQAJUMTFQ-UHFFFAOYSA-N 0 0 386.521 3.800 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000858320719 883021777 /nfs/dbraw/zinc/02/17/77/883021777.db2.gz GZJRFYGAVKLALM-HKUYNNGSSA-N 0 0 391.874 3.738 20 10 GHCDRN CCCC(=O)N1CCC[C@@H](C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000108295138 876451390 /nfs/dbraw/zinc/45/13/90/876451390.db2.gz BKMXHMLGYYQXGQ-HXUWFJFHSA-N 0 0 385.552 3.578 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+]CC[C@@H](O)COCc2ccccc2)c1 ZINC000858332579 883034537 /nfs/dbraw/zinc/03/45/37/883034537.db2.gz WTNCYCDRTVHYTI-QGZVFWFLSA-N 0 0 394.309 3.521 20 10 GHCDRN COC(=O)C[C@H](NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C)c1ccncc1 ZINC000786239674 876576327 /nfs/dbraw/zinc/57/63/27/876576327.db2.gz FBYZHSSUMFOXIP-NRFANRHFSA-N 0 0 391.471 3.832 20 10 GHCDRN COC(=O)C[C@@H](NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)c1ccncc1 ZINC000786241137 876577538 /nfs/dbraw/zinc/57/75/38/876577538.db2.gz RFFOJWOVDHXSLP-HXUWFJFHSA-N 0 0 395.434 3.662 20 10 GHCDRN COc1ccc(O)c(CNC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)c1 ZINC000174929293 883055552 /nfs/dbraw/zinc/05/55/52/883055552.db2.gz CYCDDDCPPORCPN-HNNXBMFYSA-N 0 0 389.883 3.522 20 10 GHCDRN Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])cc1 ZINC000786580573 876768587 /nfs/dbraw/zinc/76/85/87/876768587.db2.gz BNSYHNIAVIECRK-TZMCWYRMSA-N 0 0 382.273 3.856 20 10 GHCDRN CSc1cc(Cl)ccc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000850345258 876835082 /nfs/dbraw/zinc/83/50/82/876835082.db2.gz PWQQMBILKKUXNS-UHFFFAOYSA-N 0 0 391.924 3.725 20 10 GHCDRN O=[N+]([O-])c1cc(C[NH2+]Cc2cccnc2N2CCCC2)ccc1N1CCCCC1 ZINC000850353189 876843973 /nfs/dbraw/zinc/84/39/73/876843973.db2.gz VQOHSPLEUAUAHK-UHFFFAOYSA-N 0 0 395.507 3.870 20 10 GHCDRN CCOc1cccc(CNc2cnn(C(C)(C)C(=O)OC(C)(C)C)c2)c1O ZINC000850365849 876853965 /nfs/dbraw/zinc/85/39/65/876853965.db2.gz RCWCCSJYEAGBCV-UHFFFAOYSA-N 0 0 375.469 3.676 20 10 GHCDRN Cc1cccc(CNC(=O)NCc2ccc(N(C)C)cc2)c1Br ZINC000786688606 876872989 /nfs/dbraw/zinc/87/29/89/876872989.db2.gz SSFSZPSDPHRTHE-UHFFFAOYSA-N 0 0 376.298 3.823 20 10 GHCDRN COc1ccc(N2CC[C@H](N[C@H](c3ccn(C)n3)c3ccc(F)cc3)C2)cc1 ZINC000850486599 876961120 /nfs/dbraw/zinc/96/11/20/876961120.db2.gz CEOKTZJXVUXGMW-AVRDEDQJSA-N 0 0 380.467 3.526 20 10 GHCDRN COC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-])C1CCOCC1 ZINC000850492509 876970013 /nfs/dbraw/zinc/97/00/13/876970013.db2.gz BVOOZAJNKXWWLX-BONVTDFDSA-N 0 0 392.721 3.900 20 10 GHCDRN COc1ccnc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)c1F ZINC000850537604 877006926 /nfs/dbraw/zinc/00/69/26/877006926.db2.gz SGXDQBHZGJINKU-ZDUSSCGKSA-N 0 0 379.863 3.570 20 10 GHCDRN C[C@H](Nc1cccc(-c2cn(C)nn2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850565175 877030154 /nfs/dbraw/zinc/03/01/54/877030154.db2.gz ZGZQJRNMTIHLIA-HNNXBMFYSA-N 0 0 381.455 3.631 20 10 GHCDRN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1nc(Br)cs1 ZINC000850567517 877034351 /nfs/dbraw/zinc/03/43/51/877034351.db2.gz DXMVQLLQJCPCTA-GFCCVEGCSA-N 0 0 396.354 3.718 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cc(F)cc(F)c1[O-] ZINC000786983552 877088660 /nfs/dbraw/zinc/08/86/60/877088660.db2.gz VVRZCLWGFGDSDV-ZMZPIMSZSA-N 0 0 396.384 3.790 20 10 GHCDRN CCCc1csc(NC(=O)NCc2ccc(N3CCSCC3)cc2)n1 ZINC000776481894 877092861 /nfs/dbraw/zinc/09/28/61/877092861.db2.gz NYGMVMLGLOCIII-UHFFFAOYSA-N 0 0 376.551 3.971 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H](Cc4cnn(C)c4)C3)c2C)cc1 ZINC000746623164 877115759 /nfs/dbraw/zinc/11/57/59/877115759.db2.gz DIJDLWXRBSBEHL-SFHVURJKSA-N 0 0 392.503 3.541 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000180884116 883106825 /nfs/dbraw/zinc/10/68/25/883106825.db2.gz ISRHPFUQONLGDZ-PKNBQFBNSA-N 0 0 390.443 3.735 20 10 GHCDRN CN(C)c1ccc(CN(C)CN2C[C@H](c3cc(F)c(F)c(F)c3)CC2=O)cc1 ZINC000787212461 877258749 /nfs/dbraw/zinc/25/87/49/877258749.db2.gz AVDRQHGWVRIDTN-MRXNPFEDSA-N 0 0 391.437 3.575 20 10 GHCDRN Cc1ccc2[nH]c(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc2c1C ZINC000175543800 877293976 /nfs/dbraw/zinc/29/39/76/877293976.db2.gz RHDCSCQWZFQWKX-UHFFFAOYSA-N 0 0 395.478 3.815 20 10 GHCDRN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000787334342 877323839 /nfs/dbraw/zinc/32/38/39/877323839.db2.gz INCOETXVGXFVKZ-JJXUHFIVSA-N 0 0 391.475 3.626 20 10 GHCDRN CC(=O)c1cc(F)cc(C[N@@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000175586915 877336913 /nfs/dbraw/zinc/33/69/13/877336913.db2.gz JCCVGZYJTJAATQ-UHFFFAOYSA-N 0 0 380.460 3.565 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCc2ccc([C@H]3C[C@H]3C)o2)cc1 ZINC000787325606 877346358 /nfs/dbraw/zinc/34/63/58/877346358.db2.gz IBJNGRCEFDWUKB-UZLBHIALSA-N 0 0 397.519 3.524 20 10 GHCDRN CCN1CCCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1=O ZINC000787325750 877346488 /nfs/dbraw/zinc/34/64/88/877346488.db2.gz QRUKBYCFVHDYCV-UHFFFAOYSA-N 0 0 379.464 3.595 20 10 GHCDRN O=C(NCCCSc1nccs1)c1cnn(-c2ccncc2)c1C(F)F ZINC000787350619 877367071 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CCC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000790927352 880067323 /nfs/dbraw/zinc/06/73/23/880067323.db2.gz FJJRCBXOASYTSI-AWEZNQCLSA-N 0 0 384.476 3.904 20 10 GHCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]C[C@H]1CCSC1 ZINC000790925792 880067372 /nfs/dbraw/zinc/06/73/72/880067372.db2.gz FGSYZKZPLOHMPJ-MRVPVSSYSA-N 0 0 381.133 3.760 20 10 GHCDRN Cc1cccc([C@@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)N2CCOCC2)c1 ZINC000790950767 880096942 /nfs/dbraw/zinc/09/69/42/880096942.db2.gz YSUOWIQRQHKHNE-GOSISDBHSA-N 0 0 378.875 3.656 20 10 GHCDRN Cc1cc(C(=O)N2C[C@H](C)OC3(CCOCC3)C2)c(C)n1-c1ccccc1C ZINC000791061380 880184387 /nfs/dbraw/zinc/18/43/87/880184387.db2.gz YLHUWKZQEMJUEO-SFHVURJKSA-N 0 0 382.504 3.813 20 10 GHCDRN Cc1nc(CSc2ccccc2C(=O)N2C[C@@H](C)S(=O)[C@H](C)C2)cs1 ZINC000791177733 880257685 /nfs/dbraw/zinc/25/76/85/880257685.db2.gz RGRUFUFYRYMZCW-CHWSQXEVSA-N 0 0 394.587 3.725 20 10 GHCDRN C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Nc1ccc2ccccc2c1 ZINC000772770842 880290616 /nfs/dbraw/zinc/29/06/16/880290616.db2.gz VFASAWFHYQULAX-OIOXUXFSSA-N 0 0 377.396 3.835 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@H](c3ccnc(N)n3)C2)c(C)n1-c1ccccc1C ZINC000791266429 880292739 /nfs/dbraw/zinc/29/27/39/880292739.db2.gz DDRIWBRIJKOURP-SFHVURJKSA-N 0 0 389.503 3.795 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1ccc(F)cc1 ZINC000791245681 880305130 /nfs/dbraw/zinc/30/51/30/880305130.db2.gz DMQKATLFBUXDEN-UHFFFAOYSA-N 0 0 386.467 3.757 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cccnc1Br ZINC000791339043 880339476 /nfs/dbraw/zinc/33/94/76/880339476.db2.gz HBQLKGMPUDPITQ-UHFFFAOYSA-N 0 0 376.298 3.501 20 10 GHCDRN CCc1c(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cnn1C(CC)CC ZINC000855223198 880368097 /nfs/dbraw/zinc/36/80/97/880368097.db2.gz CJZKIRSATVVTMC-MRXNPFEDSA-N 0 0 384.524 3.824 20 10 GHCDRN C[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)Nc1ccccc1C(F)(F)F ZINC000772773349 880372496 /nfs/dbraw/zinc/37/24/96/880372496.db2.gz BRRKUBCNQGCKET-DVBBHNHCSA-N 0 0 395.333 3.700 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)CCC(=O)c3ccc(C)c(C)c3)C2)cc1 ZINC000855228431 880373424 /nfs/dbraw/zinc/37/34/24/880373424.db2.gz CITFWCSKNPEEDR-IBGZPJMESA-N 0 0 380.488 3.670 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3ccc4[nH]c(C(F)F)nc4c3)C2)cc1 ZINC000855229707 880374369 /nfs/dbraw/zinc/37/43/69/880374369.db2.gz LNSMSXISUVBLJA-ZDUSSCGKSA-N 0 0 386.402 3.518 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3ccc(-c4ccco4)nc3C)C2)cc1 ZINC000855229102 880374632 /nfs/dbraw/zinc/37/46/32/880374632.db2.gz HOKBBDUZPRFJBS-INIZCTEOSA-N 0 0 377.444 3.667 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3cc4ccc(F)cc4nc3C)C2)cc1 ZINC000855230459 880375664 /nfs/dbraw/zinc/37/56/64/880375664.db2.gz WLYWBXHBBJWOLG-KRWDZBQOSA-N 0 0 379.435 3.700 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)Cc3nc(-c4ccsc4)oc3C)C2)cc1 ZINC000855230582 880375686 /nfs/dbraw/zinc/37/56/86/880375686.db2.gz PTOCHIRLKOEMED-MRXNPFEDSA-N 0 0 397.500 3.658 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)C[C@H](C)Cc3ccccc3OC)C2)cc1 ZINC000855232018 880376353 /nfs/dbraw/zinc/37/63/53/880376353.db2.gz PSEULIWTFDILOE-MJGOQNOKSA-N 0 0 382.504 3.668 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@H](Cn3ccnn3)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000855239513 880381386 /nfs/dbraw/zinc/38/13/86/880381386.db2.gz ASCYSZWVANERGC-INIZCTEOSA-N 0 0 383.883 3.501 20 10 GHCDRN C[C@@H]1OCC[C@]12CN(CC(=O)Nc1ccc(N=Nc3ccccc3)cc1)CCO2 ZINC000791586260 880550471 /nfs/dbraw/zinc/55/04/71/880550471.db2.gz BAOZNGBRYJOUKK-JTSKRJEESA-N 0 0 394.475 3.920 20 10 GHCDRN COC(=O)C1=NO[C@@H](CSc2ncc(-c3ccccc3)n2CC(F)(F)F)C1 ZINC000774638555 912582826 /nfs/dbraw/zinc/58/28/26/912582826.db2.gz SMOZDFAPCYQLKB-GFCCVEGCSA-N 0 0 399.394 3.522 20 10 GHCDRN Cc1cc(C(=O)COC(=O)CCOCC(F)F)c(C)n1-c1ccc(F)cc1 ZINC000791685688 880622825 /nfs/dbraw/zinc/62/28/25/880622825.db2.gz OXQCMWPXKUXQLB-UHFFFAOYSA-N 0 0 383.366 3.631 20 10 GHCDRN C[C@H](NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1)c1ccc(N(C)C)cc1 ZINC000791721113 880649174 /nfs/dbraw/zinc/64/91/74/880649174.db2.gz QURXNCKZMRVBCV-HNNXBMFYSA-N 0 0 398.507 3.915 20 10 GHCDRN C[C@@H](NC(=O)[C@H]1Cc2cc(Br)ccc2O1)c1ccc(N(C)C)cc1 ZINC000791720995 880650582 /nfs/dbraw/zinc/65/05/82/880650582.db2.gz PDMINYGZMHPYQM-KZULUSFZSA-N 0 0 389.293 3.696 20 10 GHCDRN Cc1cc(C(=O)NC[C@@H]2CC(=O)N(C(C)(C)C)C2)c(C)n1-c1cccc(C)c1 ZINC000856101800 880960013 /nfs/dbraw/zinc/96/00/13/880960013.db2.gz ZFWYNXBVOKLZCZ-SFHVURJKSA-N 0 0 381.520 3.779 20 10 GHCDRN Cc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c(-n2cccc2)s1 ZINC000856208330 881041539 /nfs/dbraw/zinc/04/15/39/881041539.db2.gz CMEKRCODKNBBTD-UHFFFAOYSA-N 0 0 395.528 3.738 20 10 GHCDRN Cc1cc(C)c(C)c(OCCC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000856210954 881044195 /nfs/dbraw/zinc/04/41/95/881044195.db2.gz DAUWHSJDUGTTAS-UHFFFAOYSA-N 0 0 396.531 3.658 20 10 GHCDRN CC(C)(C(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1Cl ZINC000856210621 881044305 /nfs/dbraw/zinc/04/43/05/881044305.db2.gz JXQXFOWGOTYHTD-UHFFFAOYSA-N 0 0 386.923 3.895 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCSc2ccccc21 ZINC000856211302 881045611 /nfs/dbraw/zinc/04/56/11/881045611.db2.gz LFDRGKLVRYTVCH-FQEVSTJZSA-N 0 0 382.529 3.544 20 10 GHCDRN Cc1cc(C(=O)NCCNc2cnccn2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000919897117 881106151 /nfs/dbraw/zinc/10/61/51/881106151.db2.gz IIJSFZCVQGNJIP-UHFFFAOYSA-N 0 0 377.492 3.849 20 10 GHCDRN CC(C)[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@@H](O)c1ccc(Cl)cc1 ZINC000856319573 881119819 /nfs/dbraw/zinc/11/98/19/881119819.db2.gz TUEISGOUSYTUIN-IPRPSLICSA-N 0 0 375.852 3.639 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)Cn1nc(-c2ccccc2)ccc1=O ZINC000919941879 881218791 /nfs/dbraw/zinc/21/87/91/881218791.db2.gz YBQFNCWDBZYWJT-UHFFFAOYSA-N 0 0 376.504 3.844 20 10 GHCDRN C[C@H]1C[C@H]1c1ccc(CCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)o1 ZINC000919969911 881308847 /nfs/dbraw/zinc/30/88/47/881308847.db2.gz HPEPTNSVQDSZOF-HTAPYJJXSA-N 0 0 396.531 3.861 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000181017768 883118640 /nfs/dbraw/zinc/11/86/40/883118640.db2.gz UFPXPHZQNRUUEJ-DPCFLFMUSA-N 0 0 391.427 3.915 20 10 GHCDRN CCC(F)(F)C(C)(C)CNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000858551752 883191625 /nfs/dbraw/zinc/19/16/25/883191625.db2.gz MQYHNIASHUWKLN-HNNXBMFYSA-N 0 0 383.483 3.892 20 10 GHCDRN C[C@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000858565171 883201930 /nfs/dbraw/zinc/20/19/30/883201930.db2.gz JAZFXXSCYHHWJQ-DZGCQCFKSA-N 0 0 396.318 3.646 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccsc1C(F)(F)F ZINC000858625798 883241637 /nfs/dbraw/zinc/24/16/37/883241637.db2.gz CISOBGKAGYWKBR-UHFFFAOYSA-N 0 0 388.386 3.673 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc(F)c(F)cc1F ZINC000729854008 883285379 /nfs/dbraw/zinc/28/53/79/883285379.db2.gz RGKBOSFLRBXCMV-UHFFFAOYSA-N 0 0 386.439 3.769 20 10 GHCDRN Cc1cccc2cc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)oc21 ZINC000747209388 883297844 /nfs/dbraw/zinc/29/78/44/883297844.db2.gz DPYRWODMZLGOLX-UHFFFAOYSA-N 0 0 378.472 3.880 20 10 GHCDRN CN(C)[C@H](C(=O)NCc1cc(Br)ccc1O)c1cccc(Cl)c1 ZINC000804739490 883298757 /nfs/dbraw/zinc/29/87/57/883298757.db2.gz HMNFOTGIVZHWTP-INIZCTEOSA-N 0 0 397.700 3.727 20 10 GHCDRN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000804725998 883310675 /nfs/dbraw/zinc/31/06/75/883310675.db2.gz GRHHJWRLUBPWPQ-PMACEKPBSA-N 0 0 398.503 3.845 20 10 GHCDRN O=C(CCCn1cnc2ccccc21)NCc1cc(Br)ccc1O ZINC000804734368 883315467 /nfs/dbraw/zinc/31/54/67/883315467.db2.gz BYVSXCYTPWTDAF-UHFFFAOYSA-N 0 0 388.265 3.601 20 10 GHCDRN Cc1ccc(N2CCCC2)c(C(=O)NCc2cc(Br)ccc2O)c1 ZINC000804734497 883315740 /nfs/dbraw/zinc/31/57/40/883315740.db2.gz NUJNGRYFXGVKBH-UHFFFAOYSA-N 0 0 389.293 3.993 20 10 GHCDRN COc1ccccc1/C(C)=C\C(=O)NCc1cc(Br)ccc1O ZINC000804737924 883321507 /nfs/dbraw/zinc/32/15/07/883321507.db2.gz VJYUTVYUMUUTIK-XFXZXTDPSA-N 0 0 376.250 3.883 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)c1cnc(-c2ccccn2)s1 ZINC000804738036 883321835 /nfs/dbraw/zinc/32/18/35/883321835.db2.gz ZTUKQMMBLMAJQK-UHFFFAOYSA-N 0 0 390.262 3.603 20 10 GHCDRN C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1cc(Br)ccc1O ZINC000804737784 883322981 /nfs/dbraw/zinc/32/29/81/883322981.db2.gz QBDSNLQCNLEQFC-SNVBAGLBSA-N 0 0 384.657 3.892 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N[C@H](c3ccccn3)C3CCC3)CC2)cc1 ZINC000858754211 883330357 /nfs/dbraw/zinc/33/03/57/883330357.db2.gz WEEVXJNVXKNJSY-QFIPXVFZSA-N 0 0 394.519 3.900 20 10 GHCDRN CCOc1cccc(/C=C/C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000858785253 883355831 /nfs/dbraw/zinc/35/58/31/883355831.db2.gz FFROBCXVKZEHNL-NUCSPZLJSA-N 0 0 380.488 3.813 20 10 GHCDRN C[C@H](NC(=O)Cc1ccc(F)c(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000858785096 883355987 /nfs/dbraw/zinc/35/59/87/883355987.db2.gz DCPCGQDXFITUBD-AWEZNQCLSA-N 0 0 376.859 3.736 20 10 GHCDRN COc1cc([N+](=O)[O-])c(N2CCC([C@@H](O)c3ccccc3C)CC2)cc1OC ZINC000804812218 883375431 /nfs/dbraw/zinc/37/54/31/883375431.db2.gz FQNBRRHIOKNQIP-OAQYLSRUSA-N 0 0 386.448 3.870 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)[C@H]3CCc4ccc(OC)cc43)CC2)cc1 ZINC000761682111 883466953 /nfs/dbraw/zinc/46/69/53/883466953.db2.gz DSIQXEWJDWYGBZ-NRFANRHFSA-N 0 0 380.488 3.519 20 10 GHCDRN Cc1ccc(Br)c(C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000476982339 883498998 /nfs/dbraw/zinc/49/89/98/883498998.db2.gz GNVQWMQRLYADJK-UHFFFAOYSA-N 0 0 375.266 3.863 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[C@H]4CCC[C@@H]4C3)cc2)CC1 ZINC000805024503 883539265 /nfs/dbraw/zinc/53/92/65/883539265.db2.gz JEPCYIDJWKIPEN-NJDAHSKKSA-N 0 0 397.563 3.624 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000116534189 883583657 /nfs/dbraw/zinc/58/36/57/883583657.db2.gz XRBHZFRWZINNNG-UHFFFAOYSA-N 0 0 380.404 3.539 20 10 GHCDRN CCOc1cccc(CCC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000859097623 883586452 /nfs/dbraw/zinc/58/64/52/883586452.db2.gz RLARZDIOSAKIPD-UHFFFAOYSA-N 0 0 382.504 3.812 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCCCc2nccs2)cc1 ZINC000859129590 883604403 /nfs/dbraw/zinc/60/44/03/883604403.db2.gz KHMPTGHHUOWLCE-UHFFFAOYSA-N 0 0 381.501 3.655 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)c1 ZINC000116565757 883617404 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Cc1cc(C(=O)NCc2ccc(N(C)C)cc2C)c(C)n1C[C@@H]1CCCOC1 ZINC000859420933 883807179 /nfs/dbraw/zinc/80/71/79/883807179.db2.gz FDTBUXDJQHFSNZ-IBGZPJMESA-N 0 0 383.536 3.836 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCCC[C@@H]2c2ncon2)ccc1C ZINC000859484552 883844223 /nfs/dbraw/zinc/84/42/23/883844223.db2.gz KOMYKTBRYAVLQZ-LJQANCHMSA-N 0 0 392.459 3.965 20 10 GHCDRN C[C@@H]1C[C@H]1COC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000859490180 883847147 /nfs/dbraw/zinc/84/71/47/883847147.db2.gz YYPNFQLOAUIZDA-KMEGAEJISA-N 0 0 381.544 3.929 20 10 GHCDRN Cc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nn1-c1ccc(F)cc1 ZINC000914505326 883876188 /nfs/dbraw/zinc/87/61/88/883876188.db2.gz ADCHVTIBYVBKAP-UHFFFAOYSA-N 0 0 395.482 3.832 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCCC3(CCOCC3)C2)c1 ZINC000859596560 883922737 /nfs/dbraw/zinc/92/27/37/883922737.db2.gz AMRNCTTXFLRJOX-UHFFFAOYSA-N 0 0 380.488 3.939 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)C(=O)OCc2ccccc2)cc1 ZINC001130289291 883940672 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Cc1sc2nc(C)nc(SCC(=O)N3Cc4cccc(O)c4C3)c2c1C ZINC000871198777 890691081 /nfs/dbraw/zinc/69/10/81/890691081.db2.gz LPVYHANDABAIKC-UHFFFAOYSA-N 0 0 385.514 3.957 20 10 GHCDRN COc1ccc(CCC(=O)N2Cc3cccc(O)c3C2)cc1Br ZINC000871198290 890691334 /nfs/dbraw/zinc/69/13/34/890691334.db2.gz GEYJACMSGBFHGM-UHFFFAOYSA-N 0 0 376.250 3.638 20 10 GHCDRN O=C([C@@H]1CCCN(c2nc3ccccc3s2)C1)N1Cc2cccc(O)c2C1 ZINC000871201188 890692659 /nfs/dbraw/zinc/69/26/59/890692659.db2.gz RKKOQUMHDXCCDX-OAHLLOKOSA-N 0 0 379.485 3.761 20 10 GHCDRN O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc(F)cc1Cl ZINC000123531658 890703180 /nfs/dbraw/zinc/70/31/80/890703180.db2.gz DRZLSCSVXJBRRV-INIZCTEOSA-N 0 0 392.858 3.804 20 10 GHCDRN Cc1cc(C(=O)COC(=O)CCc2ncccn2)c(C)n1-c1ccc(C)c(C)c1 ZINC000812605877 890793696 /nfs/dbraw/zinc/79/36/96/890793696.db2.gz CEONRDZAEWYSCC-UHFFFAOYSA-N 0 0 391.471 3.860 20 10 GHCDRN CC[C@H]([NH2+]C1CCN(S(=O)(=O)CC)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287706101 913497750 /nfs/dbraw/zinc/49/77/50/913497750.db2.gz 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COc1cc(CCC2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)cc(OC)c1 ZINC000780862622 930620023 /nfs/dbraw/zinc/62/00/23/930620023.db2.gz NROAUTKVCRVKQE-UHFFFAOYSA-N 0 0 399.487 3.908 20 10 GHCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)cc1 ZINC000780938564 930645107 /nfs/dbraw/zinc/64/51/07/930645107.db2.gz IVQICEFYEUGPBK-BDTNDASRSA-N 0 0 380.488 3.719 20 10 GHCDRN COc1cc2c(cc1NC(=O)NCc1c(C)c3ccccc3n1C)NC(=O)CC2 ZINC000470645030 930780422 /nfs/dbraw/zinc/78/04/22/930780422.db2.gz OXAWAABQOXJLLT-UHFFFAOYSA-N 0 0 392.459 3.702 20 10 GHCDRN CC(=O)c1cc(F)cc(CN2CCc3c(ncn3-c3ccc(F)cc3)C2)c1O ZINC000781351338 930808332 /nfs/dbraw/zinc/80/83/32/930808332.db2.gz NNMONLFVXZITMI-UHFFFAOYSA-N 0 0 383.398 3.617 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)c1 ZINC000781630914 930916554 /nfs/dbraw/zinc/91/65/54/930916554.db2.gz YIHPCFJQJVPUOU-UHFFFAOYSA-N 0 0 377.282 3.970 20 10 GHCDRN COc1ncc(/C=C/C(=O)N(C)c2ccc(OCc3ccccc3)cc2)cn1 ZINC000781695716 930944115 /nfs/dbraw/zinc/94/41/15/930944115.db2.gz VBONUXJDSMDARR-MDWZMJQESA-N 0 0 375.428 3.740 20 10 GHCDRN Cc1cc(C(=O)N2CC(C(C)(C)O)C2)c(C)n1-c1ccccc1Br ZINC000781867827 931004281 /nfs/dbraw/zinc/00/42/81/931004281.db2.gz UQBFRNVDZFKKEK-UHFFFAOYSA-N 0 0 391.309 3.700 20 10 GHCDRN CCCCN(C)C(=O)C1CC[NH+](Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000781899188 931017683 /nfs/dbraw/zinc/01/76/83/931017683.db2.gz HCSPOBUFAIIQEV-UHFFFAOYSA-N 0 0 397.357 3.934 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000781903612 931019290 /nfs/dbraw/zinc/01/92/90/931019290.db2.gz BAKWGCDOODBXCM-INIZCTEOSA-N 0 0 384.314 3.623 20 10 GHCDRN C[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)c1ccc(N2CCOCC2)cc1 ZINC000782140876 931099063 /nfs/dbraw/zinc/09/90/63/931099063.db2.gz JHTCQAFKHVBXGQ-AWEZNQCLSA-N 0 0 379.420 3.548 20 10 GHCDRN CC(=O)Nc1ccc(C)c(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)c1 ZINC000782523104 931255500 /nfs/dbraw/zinc/25/55/00/931255500.db2.gz RAAWKGFLHHNNEU-UHFFFAOYSA-N 0 0 385.427 3.915 20 10 GHCDRN COc1c(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cccc1C(N)=O ZINC000782842746 931350503 /nfs/dbraw/zinc/35/05/03/931350503.db2.gz WEURVWAHBVRTIW-UHFFFAOYSA-N 0 0 381.407 3.593 20 10 GHCDRN CC(=O)c1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000783130630 931425760 /nfs/dbraw/zinc/42/57/60/931425760.db2.gz IQHGNRUAFFZUHJ-UHFFFAOYSA-N 0 0 387.867 3.701 20 10 GHCDRN O=C1Nc2c(cccc2Br)/C1=C/c1ccc(N2CCOCC2)cc1 ZINC000783715467 931627279 /nfs/dbraw/zinc/62/72/79/931627279.db2.gz VETVUNHZCXVSET-VBKFSLOCSA-N 0 0 385.261 3.778 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccnn1[C@H](C)CC(C)C ZINC000784026093 931759892 /nfs/dbraw/zinc/75/98/92/931759892.db2.gz QGNIYIQEPIUGBN-MRXNPFEDSA-N 0 0 386.496 3.573 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Cl)c2cccnc12 ZINC000784031298 931761860 /nfs/dbraw/zinc/76/18/60/931761860.db2.gz ZMWVQNLEWIPBTQ-UHFFFAOYSA-N 0 0 397.862 3.971 20 10 GHCDRN C[C@@H](C1CC1)n1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cn1 ZINC000784061378 931770763 /nfs/dbraw/zinc/77/07/63/931770763.db2.gz AZFGUYCWYIHREM-HNNXBMFYSA-N 0 0 395.507 3.741 20 10 GHCDRN Nc1ccc(N(C(=O)C(=O)N2CCc3cc(F)c(F)cc32)C2CCCCC2)cc1 ZINC000784061624 931770812 /nfs/dbraw/zinc/77/08/12/931770812.db2.gz RDJAJGWTWWJIER-UHFFFAOYSA-N 0 0 399.441 3.802 20 10 GHCDRN Cc1ccncc1/C=C\C(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000784068561 931773928 /nfs/dbraw/zinc/77/39/28/931773928.db2.gz SNEJKQKJWQSGIY-QWUACUGRSA-N 0 0 375.472 3.546 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCC([C@@H]3CCOC3)CC2)cc1F ZINC000784302156 931850277 /nfs/dbraw/zinc/85/02/77/931850277.db2.gz FWYHYLWRRBHOBF-GOSISDBHSA-N 0 0 377.504 3.630 20 10 GHCDRN C[NH+](C)CC[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1[O-])c1cccnc1 ZINC000925913600 931956276 /nfs/dbraw/zinc/95/62/76/931956276.db2.gz FCEQIEILNADJRY-INIZCTEOSA-N 0 0 397.306 3.586 20 10 GHCDRN C[N@H+](Cc1cc(Br)cc(Br)c1[O-])[C@H]1CC[C@H](O)CC1 ZINC000784669040 931972679 /nfs/dbraw/zinc/97/26/79/931972679.db2.gz BEWAARRQRBUYJO-HAQNSBGRSA-N 0 0 393.119 3.653 20 10 GHCDRN COC[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C[C@H](C)O1 ZINC000784671216 931973794 /nfs/dbraw/zinc/97/37/94/931973794.db2.gz HWYKHOPMFWMVDS-KSSFIOAISA-N 0 0 376.884 3.623 20 10 GHCDRN Cc1cc(C(=O)CN2CCC[C@@H]2c2nc(C)no2)c(C)n1-c1cccc(F)c1 ZINC000796694243 932032409 /nfs/dbraw/zinc/03/24/09/932032409.db2.gz LFYPJTLHQIBKCL-LJQANCHMSA-N 0 0 382.439 3.944 20 10 GHCDRN COc1ccc(CS(C)(=O)=O)cc1N[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000797037881 932155823 /nfs/dbraw/zinc/15/58/23/932155823.db2.gz JIERPSSBYSQUAZ-ABAIWWIYSA-N 0 0 379.453 3.745 20 10 GHCDRN CC1=C[C@@H](C)CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 ZINC000797431052 932281996 /nfs/dbraw/zinc/28/19/96/932281996.db2.gz ZJKNONALLXUNBI-CQSZACIVSA-N 0 0 397.441 3.650 20 10 GHCDRN CC(C)CN(C)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000797457597 932291060 /nfs/dbraw/zinc/29/10/60/932291060.db2.gz NUJFDNJTUAVYJL-GOSISDBHSA-N 0 0 392.544 3.616 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)c2cnccc2NC(=O)OC(C)(C)C)cc1 ZINC000187343479 932322206 /nfs/dbraw/zinc/32/22/06/932322206.db2.gz XXOXRGMQLJXLTF-UHFFFAOYSA-N 0 0 384.480 3.767 20 10 GHCDRN COc1ccc(CNC(=O)Nc2ccc(Oc3ncccn3)cc2C)c(O)c1 ZINC000797618847 932346286 /nfs/dbraw/zinc/34/62/86/932346286.db2.gz DVUNVDDHOSDNBR-UHFFFAOYSA-N 0 0 380.404 3.613 20 10 GHCDRN COc1ccc(CNC(=O)Nc2ccc(Br)c(C)c2F)c(O)c1 ZINC000797651230 932356213 /nfs/dbraw/zinc/35/62/13/932356213.db2.gz BFCZDCHFBXBMHM-UHFFFAOYSA-N 0 0 383.217 3.933 20 10 GHCDRN COc1ccc(CNC(=O)Nc2cc(Br)c(F)cc2C)c(O)c1 ZINC000797649470 932356291 /nfs/dbraw/zinc/35/62/91/932356291.db2.gz CLWAHWRFJOCHOI-UHFFFAOYSA-N 0 0 383.217 3.933 20 10 GHCDRN C[C@H](NC(=O)Nc1ccc(F)c(N2CCOC2=O)c1)c1ccc(N(C)C)cc1 ZINC000797659815 932358426 /nfs/dbraw/zinc/35/84/26/932358426.db2.gz PKBXXFHFDHRWPG-ZDUSSCGKSA-N 0 0 386.427 3.731 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(C(=O)OC)c(OC)c2)cc1 ZINC000797674357 932363817 /nfs/dbraw/zinc/36/38/17/932363817.db2.gz GHWXHLCYQUIALX-UHFFFAOYSA-N 0 0 399.491 3.992 20 10 GHCDRN C[C@H]([NH2+]C[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1)c1c([O-])cccc1F ZINC000926993118 932373540 /nfs/dbraw/zinc/37/35/40/932373540.db2.gz DZQINGFFMRMGNL-DNMKQRRRSA-N 0 0 379.472 3.851 20 10 GHCDRN O=C(CO[C@H]1CCCc2ccccc21)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000797747250 932393097 /nfs/dbraw/zinc/39/30/97/932393097.db2.gz RXSGYCZNPYYCKK-OFNKIYASSA-N 0 0 395.499 3.994 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000797750682 932395556 /nfs/dbraw/zinc/39/55/56/932395556.db2.gz HDNMBSJUYZQLMK-XFBWCDHKSA-N 0 0 395.377 3.847 20 10 GHCDRN C[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000798004586 932487452 /nfs/dbraw/zinc/48/74/52/932487452.db2.gz YXIOCEVRMHEGPL-GSDQLPOLSA-N 0 0 380.735 3.760 20 10 GHCDRN COC(=O)CNC(=O)c1ccc(NCc2cc(-c3ccccc3)ccc2O)cc1 ZINC000798079667 932520535 /nfs/dbraw/zinc/52/05/35/932520535.db2.gz MPQFYLITNOAFQR-UHFFFAOYSA-N 0 0 390.439 3.574 20 10 GHCDRN C[C@H]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000798367456 932617204 /nfs/dbraw/zinc/61/72/04/932617204.db2.gz CRYDVGHKQUPKBX-LSDHHAIUSA-N 0 0 399.457 3.777 20 10 GHCDRN C[C@@H]1CCC[C@H]1CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000798399986 932629928 /nfs/dbraw/zinc/62/99/28/932629928.db2.gz QQQBBFVJLFTJBN-CABCVRRESA-N 0 0 381.467 3.992 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@H]([C@@]2(C)COC(=O)N2)C1 ZINC000928026160 932769657 /nfs/dbraw/zinc/76/96/57/932769657.db2.gz HYWSZFBFNNKDOF-MGPUTAFESA-N 0 0 387.505 3.506 20 10 GHCDRN C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000798928193 932819942 /nfs/dbraw/zinc/81/99/42/932819942.db2.gz ZGAGUZDQLRYSKV-HNNXBMFYSA-N 0 0 392.421 3.962 20 10 GHCDRN CC[C@H]1C[N@H+](Cc2cc(Br)cc(Br)c2[O-])CCCO1 ZINC000798964910 932843054 /nfs/dbraw/zinc/84/30/54/932843054.db2.gz RATJMBWKBGLATQ-LBPRGKRZSA-N 0 0 393.119 3.918 20 10 GHCDRN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C[C@](C)(O)C(F)(F)F ZINC000799122374 932882181 /nfs/dbraw/zinc/88/21/81/932882181.db2.gz GVRDCMSNKWZOKY-SFHVURJKSA-N 0 0 388.430 3.777 20 10 GHCDRN COC(=O)CCCN1C(=O)/C(=C/c2cccc(C(F)(F)F)c2)SC1=S ZINC000799201176 932913182 /nfs/dbraw/zinc/91/31/82/932913182.db2.gz UWWIFMDBVFYJSP-XFXZXTDPSA-N 0 0 389.420 3.860 20 10 GHCDRN Cc1ccc(-c2ccnn2C)cc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000799239472 932931107 /nfs/dbraw/zinc/93/11/07/932931107.db2.gz YCEPNIBQQSXGHC-CQSZACIVSA-N 0 0 380.448 3.559 20 10 GHCDRN Cc1ccc(CN(Cc2ncnn2CCF)c2ccc3c(c2)OCCO3)s1 ZINC000799308008 932945872 /nfs/dbraw/zinc/94/58/72/932945872.db2.gz SCRPTGFNKLJHAW-UHFFFAOYSA-N 0 0 388.468 3.596 20 10 GHCDRN COc1ccc2occ(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c2c1 ZINC000799320487 932949041 /nfs/dbraw/zinc/94/90/41/932949041.db2.gz BIJVPOFJPOLFAD-OAHLLOKOSA-N 0 0 380.444 3.769 20 10 GHCDRN CCn1ncc2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)c(C)nc21 ZINC000799413539 932994683 /nfs/dbraw/zinc/99/46/83/932994683.db2.gz UDVZZLNLXITOKZ-UHFFFAOYSA-N 0 0 377.492 3.680 20 10 GHCDRN COc1ccc2occ(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c2c1 ZINC000799531035 933027373 /nfs/dbraw/zinc/02/73/73/933027373.db2.gz 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NVKTZKQRQKTVGG-LJQANCHMSA-N 0 0 378.380 3.685 20 10 GHCDRN Cc1cccc2oc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc21 ZINC000933825862 1018891377 /nfs/dbraw/zinc/89/13/77/1018891377.db2.gz WDRIGGQAYYVVFV-UHFFFAOYSA-N 0 0 382.435 3.771 20 10 GHCDRN Oc1cc2c(cc1O)CN(c1nc3cc(F)c(F)cc3nc1Cl)CCC2 ZINC001155941108 1032803784 /nfs/dbraw/zinc/80/37/84/1032803784.db2.gz FZAPXJUUPGSJFD-UHFFFAOYSA-N 0 0 377.778 3.925 20 10 GHCDRN CN(c1cccc(CCN2CCOCC2)c1)c1c(N)cccc1Br ZINC001204379924 1032817748 /nfs/dbraw/zinc/81/77/48/1032817748.db2.gz HEHWXRQKNZJTKL-UHFFFAOYSA-N 0 0 390.325 3.674 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)NC[Si](C)(C)c2ccccc2)cc1 ZINC001228221570 1032849365 /nfs/dbraw/zinc/84/93/65/1032849365.db2.gz HFBKNGAOPSNXOK-UHFFFAOYSA-N 0 0 383.612 3.829 20 10 GHCDRN Cc1cc(C(=O)CN2CCC[C@@H]2c2nncn2C)c(C)n1-c1cccc(C)c1 ZINC000156918705 1019771822 /nfs/dbraw/zinc/77/18/22/1019771822.db2.gz ZUDKSPGNRVILBZ-HXUWFJFHSA-N 0 0 377.492 3.551 20 10 GHCDRN CC[C@H](c1ccncc1)N(C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000158634197 1020000487 /nfs/dbraw/zinc/00/04/87/1020000487.db2.gz ZLLUFIZHSZUSBS-OAQYLSRUSA-N 0 0 382.508 3.852 20 10 GHCDRN CCOc1ccc(/C=C2/SC(=S)N(c3cnn(CC)c3)C2=O)cc1F ZINC000779203299 1020511406 /nfs/dbraw/zinc/51/14/06/1020511406.db2.gz HDOWQDNQVCCJPV-OVCLIPMQSA-N 0 0 377.466 3.847 20 10 GHCDRN CC1(C)CC[C@H](C[NH2+]Cc2cc(Br)cc(Br)c2[O-])O1 ZINC000779214839 1020527253 /nfs/dbraw/zinc/52/72/53/1020527253.db2.gz GZCQMSURERWCIR-LLVKDONJSA-N 0 0 393.119 3.964 20 10 GHCDRN CN(Cc1ccn(-c2ccc(F)cc2F)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000190174712 1020626220 /nfs/dbraw/zinc/62/62/20/1020626220.db2.gz PXEJZEVLQKXDLJ-UHFFFAOYSA-N 0 0 398.457 3.619 20 10 GHCDRN COc1ccc(O)c(CNC(=O)N[C@H](C)[C@H](OC)c2ccccc2Cl)c1 ZINC000779352009 1020734648 /nfs/dbraw/zinc/73/46/48/1020734648.db2.gz ZAGKPAUOZQGHIS-XIKOKIGWSA-N 0 0 378.856 3.630 20 10 GHCDRN COc1ccc(Cn2ccc(NC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)n2)cc1 ZINC000779507963 1020837121 /nfs/dbraw/zinc/83/71/21/1020837121.db2.gz CLEDCJHRYFKDDU-INIZCTEOSA-N 0 0 393.491 3.889 20 10 GHCDRN Cc1ccc(NCc2ccc(N(C)C)c(F)c2)cc1S(=O)(=O)NC(C)(C)C ZINC000796435872 1021193791 /nfs/dbraw/zinc/19/37/91/1021193791.db2.gz SZFOPYXYGYBXDE-UHFFFAOYSA-N 0 0 393.528 3.889 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)/C(C)=C\c1cccnc1 ZINC000834510062 1021234306 /nfs/dbraw/zinc/23/43/06/1021234306.db2.gz WRRBPYBSORGMEU-VKAVYKQESA-N 0 0 395.503 3.874 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)C[C@H](C)[C@@H]1CCCO1 ZINC000834509620 1021235582 /nfs/dbraw/zinc/23/55/82/1021235582.db2.gz GAXIBFUKFZXESX-JXFKEZNVSA-N 0 0 390.524 3.580 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cccc2[nH]cnc21 ZINC000834513746 1021237238 /nfs/dbraw/zinc/23/72/38/1021237238.db2.gz CCXRCJZDNCZPQU-UHFFFAOYSA-N 0 0 394.475 3.565 20 10 GHCDRN OC1CCN(c2ccc(CN3CCn4cc(-c5ccccc5)nc4C3)cc2)CC1 ZINC001140287093 1021319442 /nfs/dbraw/zinc/31/94/42/1021319442.db2.gz IPDWFALNEAAVHH-UHFFFAOYSA-N 0 0 388.515 3.527 20 10 GHCDRN Cc1cc(CC(=O)Nc2cc([C@@H]3CCCOC3)nn2C)c(C)n1-c1ccccc1 ZINC000834739132 1021425667 /nfs/dbraw/zinc/42/56/67/1021425667.db2.gz CWYIRUBWGQNDOO-GOSISDBHSA-N 0 0 392.503 3.903 20 10 GHCDRN Cc1cc(CC(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)c(C)n1-c1ccccc1 ZINC000834772276 1021458846 /nfs/dbraw/zinc/45/88/46/1021458846.db2.gz FFBNHUVEOZKADV-KRWDZBQOSA-N 0 0 378.476 3.892 20 10 GHCDRN C[C@@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1cc(Br)cc(F)c1[O-] ZINC000834826577 1021520821 /nfs/dbraw/zinc/52/08/21/1021520821.db2.gz FBZPZCGHFVRGIC-QMTHXVAHSA-N 0 0 386.236 3.687 20 10 GHCDRN C[C@H]([NH2+]CC1=CCOCC1)c1cc(Br)cc(Br)c1[O-] ZINC000834859986 1021563001 /nfs/dbraw/zinc/56/30/01/1021563001.db2.gz MNGPTQDIICRNSF-VIFPVBQESA-N 0 0 391.103 3.915 20 10 GHCDRN C[C@H](NCc1nn(C)cc1Br)c1ccc(Br)cc1O ZINC000834884810 1021610621 /nfs/dbraw/zinc/61/06/21/1021610621.db2.gz PWHDSLZSYNKSRX-QMMMGPOBSA-N 0 0 389.091 3.502 20 10 GHCDRN COc1cccc2c1CCC[C@@H](NC(=O)NCc1ccc(N3CC=CC3)cc1)C2 ZINC001228576474 1032994795 /nfs/dbraw/zinc/99/47/95/1032994795.db2.gz QAUQCWHQHPPVQS-HXUWFJFHSA-N 0 0 391.515 3.818 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1)c1cc(Br)cc(F)c1[O-] ZINC000834896778 1021639576 /nfs/dbraw/zinc/63/95/76/1021639576.db2.gz CRVWGNUTJKYREX-KNHMANMVSA-N 0 0 398.276 3.598 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H]([C@@H]4CCOC4)C3)c2C)cc1 ZINC000749124507 1021750442 /nfs/dbraw/zinc/75/04/42/1021750442.db2.gz XLOUOKHSVFHIAL-RTBURBONSA-N 0 0 382.504 3.991 20 10 GHCDRN Oc1cc(Cl)ccc1CN1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001140466394 1021761543 /nfs/dbraw/zinc/76/15/43/1021761543.db2.gz CZWSADIKMCZCGJ-LAUBAEHRSA-N 0 0 388.895 3.891 20 10 GHCDRN CN(C)c1ccc(/C=C\CN2CCCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000835025321 1021782258 /nfs/dbraw/zinc/78/22/58/1021782258.db2.gz HZTPQMURTDGPMS-ALCCZGGFSA-N 0 0 381.495 3.753 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnn(CCC)c1C1CC1 ZINC000835327666 1022033878 /nfs/dbraw/zinc/03/38/78/1022033878.db2.gz JTOHMHOHEJWZLR-UHFFFAOYSA-N 0 0 398.507 3.644 20 10 GHCDRN CC[C@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@H](O)C(F)F ZINC000835561496 1022247800 /nfs/dbraw/zinc/24/78/00/1022247800.db2.gz CFBJKWKUIVOBPA-HOTGVXAUSA-N 0 0 390.390 3.561 20 10 GHCDRN CN(c1ccc(Cc2ccccc2)cc1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001204717106 1033042127 /nfs/dbraw/zinc/04/21/27/1033042127.db2.gz IBALRKBAMKDYCF-UHFFFAOYSA-N 0 0 380.513 3.868 20 10 GHCDRN COC(=O)c1sccc1NC(=O)CN(c1ccc(OC)c(F)c1)C(C)C ZINC000725816264 1022383882 /nfs/dbraw/zinc/38/38/82/1022383882.db2.gz NGQUWGGMKYAWDJ-UHFFFAOYSA-N 0 0 380.441 3.536 20 10 GHCDRN Cc1ccccc1[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000725867635 1022388853 /nfs/dbraw/zinc/38/88/53/1022388853.db2.gz YJDNRAVWTBLMMU-HXUWFJFHSA-N 0 0 379.504 3.531 20 10 GHCDRN Cn1cc(CC(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1 ZINC000726002808 1022399488 /nfs/dbraw/zinc/39/94/88/1022399488.db2.gz SDKXYZVKCYGBCQ-UHFFFAOYSA-N 0 0 377.404 3.560 20 10 GHCDRN CCc1cc(CN2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)c(O)c(C(C)(C)C)c1 ZINC000754017750 1022426094 /nfs/dbraw/zinc/42/60/94/1022426094.db2.gz UAEPMNKCGBBRLZ-OALUTQOASA-N 0 0 379.566 3.794 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3[C@H]4CCO[C@H]4C34CCC4)c2C)cc1 ZINC000754189847 1022528345 /nfs/dbraw/zinc/52/83/45/1022528345.db2.gz UJUOEFKXJAZOLG-HMXCVIKNSA-N 0 0 380.488 3.790 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCc2ccnc(C(F)(F)F)c2)cc1 ZINC000836240755 1022758255 /nfs/dbraw/zinc/75/82/55/1022758255.db2.gz CTNWLZXVTARMOU-UHFFFAOYSA-N 0 0 380.414 3.946 20 10 GHCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc2c(c1)OCCCO2 ZINC000754539628 1022760519 /nfs/dbraw/zinc/76/05/19/1022760519.db2.gz HNQMTENPUSANMA-UHFFFAOYSA-N 0 0 399.402 3.876 20 10 GHCDRN O=C(NCCc1cc(C(F)(F)F)ccn1)NCc1ccc(N2CCCC2)cc1 ZINC000836244008 1022762699 /nfs/dbraw/zinc/76/26/99/1022762699.db2.gz LBVRRJYVCLQQQR-UHFFFAOYSA-N 0 0 392.425 3.743 20 10 GHCDRN C[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)C[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000836254918 1022777819 /nfs/dbraw/zinc/77/78/19/1022777819.db2.gz AEJYOKJOERYXOM-YQQAZPJKSA-N 0 0 399.457 3.957 20 10 GHCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1 ZINC000836256063 1022779920 /nfs/dbraw/zinc/77/99/20/1022779920.db2.gz MVBHRJXYUONWPO-CVEARBPZSA-N 0 0 398.463 3.553 20 10 GHCDRN CCOC[C@@H]1CN(Cc2ccc(N(C)C)cc2Cl)Cc2c1cnn2CC ZINC001140922512 1022892170 /nfs/dbraw/zinc/89/21/70/1022892170.db2.gz SFMQSYJHARNAAL-INIZCTEOSA-N 0 0 376.932 3.758 20 10 GHCDRN CN(C)c1ccc(CN2CCN(c3cc(C(F)(F)F)ncn3)CC2)c(Cl)c1 ZINC001140925143 1022901926 /nfs/dbraw/zinc/90/19/26/1022901926.db2.gz OPVORTQBGUJVGW-UHFFFAOYSA-N 0 0 399.848 3.537 20 10 GHCDRN COC(=O)[C@@H]1[C@H](c2ccccc2)OCCN1Cc1ccc(N(C)C)cc1Cl ZINC001140927169 1022903701 /nfs/dbraw/zinc/90/37/01/1022903701.db2.gz IBJHQMBUKJPPAH-PMACEKPBSA-N 0 0 388.895 3.521 20 10 GHCDRN CC(C)CC1(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCCC1 ZINC000755212159 1023131029 /nfs/dbraw/zinc/13/10/29/1023131029.db2.gz PAGMOAMOJLRYQR-IBGZPJMESA-N 0 0 385.552 3.611 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)Cc2cc(F)cc(OC)c2)c1 ZINC000836668512 1023231228 /nfs/dbraw/zinc/23/12/28/1023231228.db2.gz FQAOKZVQHREMCW-QWHCGFSZSA-N 0 0 376.428 3.540 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3ccc(C4CCC4)cn3)CC2)cc1F ZINC000836701865 1023274986 /nfs/dbraw/zinc/27/49/86/1023274986.db2.gz IKOSNNBJRGOXQW-UHFFFAOYSA-N 0 0 384.455 3.851 20 10 GHCDRN Cc1csc([C@H](NC(=O)NCCCSc2nccs2)C(F)(F)F)n1 ZINC000836707896 1023284035 /nfs/dbraw/zinc/28/40/35/1023284035.db2.gz SFJXKPXGYSXWMC-VIFPVBQESA-N 0 0 396.485 3.993 20 10 GHCDRN Cc1cc(CNC(=O)C(F)(F)F)cc(NC(=O)N(C)Cc2ccccc2O)c1 ZINC000836743281 1023331131 /nfs/dbraw/zinc/33/11/31/1023331131.db2.gz RUSBVMWWTDYNNQ-UHFFFAOYSA-N 0 0 395.381 3.543 20 10 GHCDRN COc1cccc(-c2nc(C)c(C(=O)NCc3ccc(N(C)C)c(F)c3)[nH]2)c1 ZINC000755782989 1023376474 /nfs/dbraw/zinc/37/64/74/1023376474.db2.gz SITGOKBOWGTORP-UHFFFAOYSA-N 0 0 382.439 3.529 20 10 GHCDRN Clc1cccnc1N1CCN(Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141078387 1023444234 /nfs/dbraw/zinc/44/42/34/1023444234.db2.gz VKQIIVKDGRJSQT-UHFFFAOYSA-N 0 0 382.939 3.756 20 10 GHCDRN OCCN(Cc1cc(Br)cs1)Cc1c(O)cccc1Cl ZINC000756121610 1023528015 /nfs/dbraw/zinc/52/80/15/1023528015.db2.gz NKYSITXOGJBSDH-UHFFFAOYSA-N 0 0 376.703 3.864 20 10 GHCDRN Cc1cc(CC(=O)N[C@@H](C)Cc2cnn(C)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000836973831 1023534156 /nfs/dbraw/zinc/53/41/56/1023534156.db2.gz DXXPBESTDRPIQL-AWEZNQCLSA-N 0 0 384.911 3.771 20 10 GHCDRN C[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])N1CCN(c2ccccc2)CC1 ZINC000756412625 1023634677 /nfs/dbraw/zinc/63/46/77/1023634677.db2.gz VEMZJVMFUUKNQQ-HZPDHXFCSA-N 0 0 375.463 3.532 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)c1 ZINC000756428305 1023644102 /nfs/dbraw/zinc/64/41/02/1023644102.db2.gz CQQYVJSJWBDJQC-OAHLLOKOSA-N 0 0 386.517 3.583 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000756455046 1023659805 /nfs/dbraw/zinc/65/98/05/1023659805.db2.gz HUHMODDKOCRBFD-LSDHHAIUSA-N 0 0 382.460 3.717 20 10 GHCDRN C[C@@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])C(=O)NCc1ccccc1 ZINC000756481702 1023678261 /nfs/dbraw/zinc/67/82/61/1023678261.db2.gz FVLQCQXAMWBPQS-NWDGAFQWSA-N 0 0 395.272 3.649 20 10 GHCDRN C[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)c1ccc(F)cc1[O-] ZINC000756491207 1023683235 /nfs/dbraw/zinc/68/32/35/1023683235.db2.gz UJWCKLSSWAJNJS-JTQLQIEISA-N 0 0 382.229 3.916 20 10 GHCDRN C[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1cc(Br)cc(F)c1[O-] ZINC000756503763 1023687392 /nfs/dbraw/zinc/68/73/92/1023687392.db2.gz PJVUYBIXWPUJCN-VIFPVBQESA-N 0 0 381.236 3.674 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000756563804 1023714959 /nfs/dbraw/zinc/71/49/59/1023714959.db2.gz NGMWRGCHJMLJEC-BTDLBPIBSA-N 0 0 384.259 3.870 20 10 GHCDRN COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)c3cc(F)cc(F)c3[O-])C2)c1 ZINC000756639059 1023748415 /nfs/dbraw/zinc/74/84/15/1023748415.db2.gz VZEASUMSBRZPJV-OCCSQVGLSA-N 0 0 378.419 3.617 20 10 GHCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1csc([C@@H]2CCCO2)n1 ZINC000756656205 1023757169 /nfs/dbraw/zinc/75/71/69/1023757169.db2.gz ADYVIXWXGSNIOW-HNNXBMFYSA-N 0 0 391.456 3.957 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1cc(Br)cc(F)c1[O-] ZINC000756660445 1023759712 /nfs/dbraw/zinc/75/97/12/1023759712.db2.gz XIWSPWLIIYGZMV-SMDDNHRTSA-N 0 0 399.304 3.736 20 10 GHCDRN COc1ccc([C@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])N(C)C)cc1OC ZINC000756664725 1023763758 /nfs/dbraw/zinc/76/37/58/1023763758.db2.gz PGYMNUBEPNTCBD-SJCJKPOMSA-N 0 0 380.435 3.641 20 10 GHCDRN C[C@@H]([NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000756683127 1023772708 /nfs/dbraw/zinc/77/27/08/1023772708.db2.gz FVZXBZPROUEKIU-AUUYWEPGSA-N 0 0 378.875 3.909 20 10 GHCDRN C[C@H]([NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000756683129 1023772851 /nfs/dbraw/zinc/77/28/51/1023772851.db2.gz FVZXBZPROUEKIU-IFXJQAMLSA-N 0 0 378.875 3.909 20 10 GHCDRN C[C@@H]([NH2+]CC(=O)NC1CCCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756707337 1023782363 /nfs/dbraw/zinc/78/23/63/1023782363.db2.gz VDHGBQXXXWTCRX-SECBINFHSA-N 0 0 375.694 3.518 20 10 GHCDRN C[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756706666 1023782825 /nfs/dbraw/zinc/78/28/25/1023782825.db2.gz CIWFKVBSDVVLDR-LLVKDONJSA-N 0 0 388.811 3.897 20 10 GHCDRN CCOC(=O)COc1ccc(CC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756734611 1023793000 /nfs/dbraw/zinc/79/30/00/1023793000.db2.gz XLCQZFBYGMBDIT-CYBMUJFWSA-N 0 0 379.403 3.506 20 10 GHCDRN C[C@H]([NH2+]CCCNC(=O)C1CCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756736339 1023793238 /nfs/dbraw/zinc/79/32/38/1023793238.db2.gz MLJZTUOIFWPPDD-JTQLQIEISA-N 0 0 389.721 3.765 20 10 GHCDRN C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1cc(Br)c(F)cc1[O-] ZINC000756758861 1023802752 /nfs/dbraw/zinc/80/27/52/1023802752.db2.gz GWIVSMALWCIYRS-NVGCLXPQSA-N 0 0 382.273 3.937 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cc(Br)cc(F)c1[O-] ZINC000756764609 1023805330 /nfs/dbraw/zinc/80/53/30/1023805330.db2.gz JPDFVCJIDNNEQF-WCQYABFASA-N 0 0 388.277 3.673 20 10 GHCDRN CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000756770104 1023807749 /nfs/dbraw/zinc/80/77/49/1023807749.db2.gz QRMWZIJFOJFDFE-PAXLWEDBSA-N 0 0 395.463 3.919 20 10 GHCDRN C[C@H]([NH2+]CCc1cnc(C2CC2)nc1)c1cc(Br)cc(F)c1[O-] ZINC000756769001 1023807959 /nfs/dbraw/zinc/80/79/59/1023807959.db2.gz HEEPZRHCSVLWSL-JTQLQIEISA-N 0 0 380.261 3.855 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1cc(Br)c(F)cc1[O-] ZINC000756768938 1023808134 /nfs/dbraw/zinc/80/81/34/1023808134.db2.gz BGYVEWKUSMRFSI-RYUDHWBXSA-N 0 0 380.261 3.618 20 10 GHCDRN CC[C@H](C)CSCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000756952411 1023883428 /nfs/dbraw/zinc/88/34/28/1023883428.db2.gz SLKQRRIWTRTBSZ-HRCADAONSA-N 0 0 382.545 3.835 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCc2ccccc2OC(F)(F)F)c1 ZINC000756963297 1023887932 /nfs/dbraw/zinc/88/79/32/1023887932.db2.gz XNKSZDYQTPEXLT-LBPRGKRZSA-N 0 0 398.381 3.902 20 10 GHCDRN Cc1cc(C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000756999626 1023903928 /nfs/dbraw/zinc/90/39/28/1023903928.db2.gz MPQUIQVUTBJPAA-PMACEKPBSA-N 0 0 388.895 3.768 20 10 GHCDRN Cc1cc(C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000756999628 1023904016 /nfs/dbraw/zinc/90/40/16/1023904016.db2.gz MPQUIQVUTBJPAA-UXHICEINSA-N 0 0 388.895 3.768 20 10 GHCDRN CS[C@H](C)CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000757035103 1023914458 /nfs/dbraw/zinc/91/44/58/1023914458.db2.gz LJIBFLPSVYDFFY-PBHICJAKSA-N 0 0 395.569 3.576 20 10 GHCDRN CN1CCOc2cc(CN3CCOc4ccc(Br)cc4C3)ccc21 ZINC001141146093 1023966988 /nfs/dbraw/zinc/96/69/88/1023966988.db2.gz KIFAOQBBGUBERB-UHFFFAOYSA-N 0 0 389.293 3.672 20 10 GHCDRN Cc1cc2cc(Nc3c(CC(N)=O)cccc3C(=O)c3ccccc3)cnc2[nH]1 ZINC001204936015 1033175622 /nfs/dbraw/zinc/17/56/22/1033175622.db2.gz OBWGRKNNQQIGDM-UHFFFAOYSA-N 0 0 384.439 3.874 20 10 GHCDRN [O-]c1c(F)cccc1C[NH+]1CCC(c2nc3ccc(N4CCCC4)cn3n2)CC1 ZINC001138123949 1024167629 /nfs/dbraw/zinc/16/76/29/1024167629.db2.gz 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O=S(=O)(c1ccccc1)[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138219621 1024392162 /nfs/dbraw/zinc/39/21/62/1024392162.db2.gz KEUFEMPEYGWJDL-QFIPXVFZSA-N 0 0 384.545 3.725 20 10 GHCDRN C[C@@H](CC(F)(F)F)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000837386951 1024408023 /nfs/dbraw/zinc/40/80/23/1024408023.db2.gz UHTUQAPMGYSHPR-NSHDSACASA-N 0 0 380.357 3.962 20 10 GHCDRN CS[C@@H](C)CCC(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000837613798 1024587400 /nfs/dbraw/zinc/58/74/00/1024587400.db2.gz YALIDNBXBVOQPM-ZDUSSCGKSA-N 0 0 378.469 3.886 20 10 GHCDRN Cc1cc(C(=O)COC(=O)CCCOC(C)C)c(C)n1-c1ccc(F)cn1 ZINC000837629743 1024598824 /nfs/dbraw/zinc/59/88/24/1024598824.db2.gz DGFCRTITPZGIAX-UHFFFAOYSA-N 0 0 376.428 3.559 20 10 GHCDRN C/C(=C\c1ccc(F)cc1)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837708878 1024653144 /nfs/dbraw/zinc/65/31/44/1024653144.db2.gz YMQSMWFSYYYFFW-GXDHUFHOSA-N 0 0 390.405 3.660 20 10 GHCDRN CC(C)(CC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000837708676 1024653769 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O=C1c2ccccc2C(=O)c2cc(NC[C@@H](O)c3ccc(F)c(F)c3)ccc21 ZINC001253341610 1039556624 /nfs/dbraw/zinc/55/66/24/1039556624.db2.gz DSHIVYPWUPPWKM-HXUWFJFHSA-N 0 0 379.362 3.886 20 10 GHCDRN CC(C)(C)OC(=O)[C@@H](O)CNc1ccc(Cl)cc1C(=O)c1ccccc1F ZINC001253687167 1039766669 /nfs/dbraw/zinc/76/66/69/1039766669.db2.gz UYFGLQDNUQLITJ-KRWDZBQOSA-N 0 0 393.842 3.825 20 10 GHCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H]1CCN(Cc2ccccc2)CC1(F)F ZINC001234476498 1040061157 /nfs/dbraw/zinc/06/11/57/1040061157.db2.gz MQTYTCNRSOTFNT-LJQANCHMSA-N 0 0 377.387 3.589 20 10 GHCDRN C[C@@H](NC(=O)N1CC(OCCCc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC001234554344 1040123639 /nfs/dbraw/zinc/12/36/39/1040123639.db2.gz BCARKDHMXSLWDC-GOSISDBHSA-N 0 0 381.520 3.857 20 10 GHCDRN CCc1ccc2oc(-c3ccc(O)c(O)c3)c(O[C@H]3CCCOC3)c(=O)c2c1 ZINC001234677199 1040209212 /nfs/dbraw/zinc/20/92/12/1040209212.db2.gz JKRXXEOQHSJKMA-HNNXBMFYSA-N 0 0 382.412 3.991 20 10 GHCDRN CCc1ccc2oc(-c3ccc(O)c(O)c3)c(O[C@@H]3CCN(C)C3)c(=O)c2c1 ZINC001234683413 1040215108 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CC(C)(C)OC(=O)N[C@H]1CCCN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237118732 1042047631 /nfs/dbraw/zinc/04/76/31/1042047631.db2.gz AVGOEFLBZMKKQG-LBPRGKRZSA-N 0 0 390.402 3.780 20 10 GHCDRN CC(C)n1nc(CN(C)C)c2c1CN(Cc1cc(C(F)(F)F)ccc1O)CC2 ZINC001237135918 1042057446 /nfs/dbraw/zinc/05/74/46/1042057446.db2.gz NSOUZURHVBTSRX-UHFFFAOYSA-N 0 0 396.457 3.808 20 10 GHCDRN CCOC[C@@H]1CN(Cc2cc(C(F)(F)F)ccc2O)Cc2cnn(CC)c21 ZINC001237136967 1042059653 /nfs/dbraw/zinc/05/96/53/1042059653.db2.gz YCNMUMWLBHPURU-HNNXBMFYSA-N 0 0 383.414 3.763 20 10 GHCDRN NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC001237622214 1042288687 /nfs/dbraw/zinc/28/86/87/1042288687.db2.gz OVMQQNQGRJIHDC-QZTJIDSGSA-N 0 0 376.859 3.808 20 10 GHCDRN CCn1nnc2c1[C@H](COC)CN(Cc1cc(-c3ccc(F)cc3)ccc1O)C2 ZINC001237646261 1042301839 /nfs/dbraw/zinc/30/18/39/1042301839.db2.gz PDUAOYVRNABMNM-SFHVURJKSA-N 0 0 396.466 3.556 20 10 GHCDRN CCOC(=O)c1c2c(nn1C)CN(Cc1cc(-c3ccc(F)cc3)ccc1O)C2 ZINC001237650796 1042304364 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GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001312884740 1052902712 /nfs/dbraw/zinc/90/27/12/1052902712.db2.gz MBZPHFYNFFPCFR-JKSUJKDBSA-N 0 0 384.480 3.961 20 10 GHCDRN Cc1cc(CCNC(=O)N2CCC[C@@H](C)[C@@H]2CCO)c(C)n1-c1ccccc1 ZINC001313101101 1052958079 /nfs/dbraw/zinc/95/80/79/1052958079.db2.gz RGWWCUKPEBUCKQ-VGSWGCGISA-N 0 0 383.536 3.829 20 10 GHCDRN O=C(NCC[C@@H]1CCCC1(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001313209705 1052985484 /nfs/dbraw/zinc/98/54/84/1052985484.db2.gz YUGRAUXGEZLQCH-IRXDYDNUSA-N 0 0 382.451 3.908 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@]1(C)OCCc2ccccc21 ZINC001313212755 1052986705 /nfs/dbraw/zinc/98/67/05/1052986705.db2.gz HHVYGSRPBHANBR-DEOSSOPVSA-N 0 0 393.531 3.916 20 10 GHCDRN O=C(c1cccc(NCc2ccc(N3CCCC3)cc2)c1)N1CCC(CO)CC1 ZINC001342758463 1053339790 /nfs/dbraw/zinc/33/97/90/1053339790.db2.gz KQBGTAWKSNQRDC-UHFFFAOYSA-N 0 0 393.531 3.743 20 10 GHCDRN CCOCc1nnc(N2CC[C@H](C)[C@H]2CC)n1Cc1ccc(N(C)C)cc1C ZINC001314334157 1053421492 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COCC1(CCn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccccc2O)CCC1 ZINC001315836251 1053963279 /nfs/dbraw/zinc/96/32/79/1053963279.db2.gz CXLKUJGMZLFELS-UHFFFAOYSA-N 0 0 395.507 3.822 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)CCNc3ccccc3)cc2F)C[C@H](C)O1 ZINC001317998898 1054345152 /nfs/dbraw/zinc/34/51/52/1054345152.db2.gz PRRSRJRASQMVGB-CALCHBBNSA-N 0 0 385.483 3.558 20 10 GHCDRN CCOCCCn1c(C2SC=CC2=O)nnc1N1CCC[C@H](CCF)C1 ZINC001344467356 1054498501 /nfs/dbraw/zinc/49/85/01/1054498501.db2.gz IMDNFWFVDUFTHE-CQSZACIVSA-N 0 0 382.505 3.715 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCC(=O)Nc2cccnc2)c1 ZINC001318210540 1054500737 /nfs/dbraw/zinc/50/07/37/1054500737.db2.gz RKVYQAUYIQWBPQ-UHFFFAOYSA-N 0 0 396.878 3.901 20 10 GHCDRN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NCc1ccc(N2CCCC2)cc1 ZINC001344536300 1054550340 /nfs/dbraw/zinc/55/03/40/1054550340.db2.gz VQDUVBKUJHMQCF-QFIPXVFZSA-N 0 0 379.504 3.817 20 10 GHCDRN COc1ccc(N2CCN(C(=O)[C@@H]3Cc4ccc(C)cc4S3)CC2)cc1F ZINC001319092029 1055031965 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C[C@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1cc(Br)c(F)cc1[O-] ZINC001320420512 1055796660 /nfs/dbraw/zinc/79/66/60/1055796660.db2.gz PIZXLPPZXQDWAN-RYUDHWBXSA-N 0 0 387.293 3.593 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@](C)(CO)C3)cc2Cl)C1 ZINC001321255171 1056190564 /nfs/dbraw/zinc/19/05/64/1056190564.db2.gz AODRTNWRYXRMLO-IERDGZPVSA-N 0 0 393.959 3.880 20 10 GHCDRN CN(C(=O)c1csc(Cc2ccc(N)cc2)n1)[C@H]1CCc2ccccc2C1 ZINC001354036352 1056269873 /nfs/dbraw/zinc/26/98/73/1056269873.db2.gz QTIHWOPBWKYKRB-IBGZPJMESA-N 0 0 377.513 3.946 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(=O)n(C)c2ccccc12 ZINC001321709295 1056369747 /nfs/dbraw/zinc/36/97/47/1056369747.db2.gz XXUMVBVFVNORMN-UHFFFAOYSA-N 0 0 389.499 3.801 20 10 GHCDRN O=C(CSCc1cccs1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001321908495 1056440725 /nfs/dbraw/zinc/44/07/25/1056440725.db2.gz LHDWQYPYLLOZRI-INIZCTEOSA-N 0 0 377.531 3.895 20 10 GHCDRN C[C@@](O)(C[NH2+]Cc1cc(Cl)cc(Br)c1[O-])c1ccsc1 ZINC001200631131 1056532695 /nfs/dbraw/zinc/53/26/95/1056532695.db2.gz RDYCPYVELCIMPN-CQSZACIVSA-N 0 0 376.703 3.867 20 10 GHCDRN Cc1cc(-c2nnc(CN3C(=O)c4ccccc4C3=O)o2)c(C)n1-c1ccccc1 ZINC001322283561 1056608090 /nfs/dbraw/zinc/60/80/90/1056608090.db2.gz NKOFRZHAMWPOAZ-UHFFFAOYSA-N 0 0 398.422 3.940 20 10 GHCDRN C[C@@H]1CN(C)c2ccccc2N(C(=O)C2=CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001354514031 1056731072 /nfs/dbraw/zinc/73/10/72/1056731072.db2.gz CBTZIKRGLARDAF-WBVHZDCISA-N 0 0 385.508 3.719 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2ccn(-c3cc(F)cc(F)c3)n2)cc1 ZINC001354541053 1056758702 /nfs/dbraw/zinc/75/87/02/1056758702.db2.gz MIEGTMXSOPUHSG-UHFFFAOYSA-N 0 0 384.430 3.927 20 10 GHCDRN Cc1cc(C(=O)COC(=O)COCc2ccncc2)c(C)n1-c1ccc(F)cc1 ZINC001322637352 1056779391 /nfs/dbraw/zinc/77/93/91/1056779391.db2.gz UWTPUHJKDPHRBY-UHFFFAOYSA-N 0 0 396.418 3.571 20 10 GHCDRN Cc1cc(C(=O)COC(=O)COCc2ccncc2)c(C)n1-c1cccc(F)c1 ZINC001322696328 1056804575 /nfs/dbraw/zinc/80/45/75/1056804575.db2.gz KYRFSKOPHDGJOL-UHFFFAOYSA-N 0 0 396.418 3.571 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3[nH]c(=O)c4ccccc4c3C)C2)cc1 ZINC000848229640 1056918733 /nfs/dbraw/zinc/91/87/33/1056918733.db2.gz OHXXRUVOGOLAJT-INIZCTEOSA-N 0 0 391.471 3.514 20 10 GHCDRN Cc1cc(C(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)c(C)n1-c1cccc(Cl)c1 ZINC000848276346 1056965193 /nfs/dbraw/zinc/96/51/93/1056965193.db2.gz PGANPVFOYNSQOL-KRWDZBQOSA-N 0 0 399.882 3.647 20 10 GHCDRN O=C(Nc1c2nonc2ccc1Cl)[C@H]1COc2ccc(Br)cc21 ZINC001323416968 1056966846 /nfs/dbraw/zinc/96/68/46/1056966846.db2.gz FUCNOLNWBJGUIM-VIFPVBQESA-N 0 0 394.612 3.753 20 10 GHCDRN C[C@@]1(CO)CCC[N@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC001323451311 1056971847 /nfs/dbraw/zinc/97/18/47/1056971847.db2.gz FNIOHDCXGXXBBQ-CQSZACIVSA-N 0 0 393.119 3.512 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCc3c(nnn3C)C2)c(C)n1-c1cccc(C(C)C)c1 ZINC000848310824 1056995942 /nfs/dbraw/zinc/99/59/42/1056995942.db2.gz UQHOGYQIPDASTI-SFHVURJKSA-N 0 0 391.519 3.633 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3ccc(F)c4cccnc34)CC2)cc1 ZINC001355030924 1057025579 /nfs/dbraw/zinc/02/55/79/1057025579.db2.gz HXCRCQSCJDNTLY-UHFFFAOYSA-N 0 0 379.435 3.735 20 10 GHCDRN Nc1ccc(Cc2nc(C(=O)N[C@@H](C[C@H]3CCCO3)C(F)(F)F)cs2)cc1 ZINC000848441668 1057091751 /nfs/dbraw/zinc/09/17/51/1057091751.db2.gz ZGKPYZIKBKWGBE-HIFRSBDPSA-N 0 0 399.438 3.546 20 10 GHCDRN CC(C)OC(=O)c1c2c(sc1NC(=O)[C@H]1[C@@H]3C(=O)CC[C@H]13)C[C@H](C)CC2 ZINC001355256695 1057098066 /nfs/dbraw/zinc/09/80/66/1057098066.db2.gz GDBYUULTVXMPDL-WJCKQCIISA-N 0 0 375.490 3.602 20 10 GHCDRN COc1cc2c(c(OC)c1)N(Cc1nnc(-c3ccccc3OC)o1)CCC2 ZINC001325244688 1057297169 /nfs/dbraw/zinc/29/71/69/1057297169.db2.gz QPXYKADTJASSMK-UHFFFAOYSA-N 0 0 381.432 3.715 20 10 GHCDRN CC[C@H](C)CSCC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C ZINC001473006048 1057376190 /nfs/dbraw/zinc/37/61/90/1057376190.db2.gz YPOGWJSTZGTSMB-ZDUSSCGKSA-N 0 0 394.562 3.704 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3ccc(Cn4cccc4)cc3)C2)cc1 ZINC001325891136 1057381103 /nfs/dbraw/zinc/38/11/03/1057381103.db2.gz KMRAGZKKBLJSLD-FQEVSTJZSA-N 0 0 389.499 3.801 20 10 GHCDRN Cc1cc(C(=O)CSc2nc(C)c(C)c(=O)[nH]2)c(C)n1-c1ccc(F)cn1 ZINC001473011112 1057390917 /nfs/dbraw/zinc/39/09/17/1057390917.db2.gz IGROZTAEXQPZNQ-UHFFFAOYSA-N 0 0 386.452 3.716 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CC[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC001326022236 1057397553 /nfs/dbraw/zinc/39/75/53/1057397553.db2.gz GJBUZDPUXYWCCJ-OAHLLOKOSA-N 0 0 383.883 3.804 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2ccc(CC(N)=O)cc2)c1 ZINC001326030415 1057399018 /nfs/dbraw/zinc/39/90/18/1057399018.db2.gz AXAAMEFJXXDOSS-UHFFFAOYSA-N 0 0 395.890 3.705 20 10 GHCDRN CCc1csc(CC2CC[NH+](Cc3ccc([N+](=O)[O-])c(OC)c3[O-])CC2)n1 ZINC000848925110 1057426217 /nfs/dbraw/zinc/42/62/17/1057426217.db2.gz NRWOUSYLUKKDIL-UHFFFAOYSA-N 0 0 391.493 3.783 20 10 GHCDRN COc1c(Br)cccc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001356252078 1057448245 /nfs/dbraw/zinc/44/82/45/1057448245.db2.gz ZHYFAWRMWRHNHU-UHFFFAOYSA-N 0 0 381.245 3.593 20 10 GHCDRN CSc1nc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c2ccccn21 ZINC001356255293 1057449543 /nfs/dbraw/zinc/44/95/43/1057449543.db2.gz FBYLNUXMNAOTEN-UHFFFAOYSA-N 0 0 380.517 3.929 20 10 GHCDRN Cc1cc(C(=O)COC(=O)COCc2ccncc2)c(C)n1-c1ccccc1C ZINC001326550032 1057508987 /nfs/dbraw/zinc/50/89/87/1057508987.db2.gz AZFJIKKPANECOG-UHFFFAOYSA-N 0 0 392.455 3.740 20 10 GHCDRN COc1ccc(N2CCN(C(=O)/C=C/Sc3cc(F)ccc3F)CC2)cc1 ZINC001356445056 1057515541 /nfs/dbraw/zinc/51/55/41/1057515541.db2.gz GYQXSNJFJKKGDW-MDWZMJQESA-N 0 0 390.455 3.928 20 10 GHCDRN COc1ccc(NS(C)(=O)=O)cc1N[C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001326622511 1057523782 /nfs/dbraw/zinc/52/37/82/1057523782.db2.gz HRDUEFZFEJKBKY-IUODEOHRSA-N 0 0 376.478 3.741 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc2c(cc(C)c(=O)n2C)c1 ZINC001326682713 1057533529 /nfs/dbraw/zinc/53/35/29/1057533529.db2.gz AJTNUTAFWJZLHJ-UHFFFAOYSA-N 0 0 379.460 3.997 20 10 GHCDRN CO[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1 ZINC001327046293 1057589142 /nfs/dbraw/zinc/58/91/42/1057589142.db2.gz IYSPMYAGNKZSJL-DJIMGWMZSA-N 0 0 379.932 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20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CCC3(CCc4ccccc4O3)CC2)cc1F ZINC001477652574 1078509663 /nfs/dbraw/zinc/50/96/63/1078509663.db2.gz MWQOPZFKDOOCRF-UHFFFAOYSA-N 0 0 397.494 3.961 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NC[C@H](O)c2ccc(C)cc2)ccc1C ZINC001467529783 1067345495 /nfs/dbraw/zinc/34/54/95/1067345495.db2.gz CYZOANSFXSTYQO-QHCPKHFHSA-N 0 0 390.483 3.987 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c(C)nc(C(C)C)nc1SC ZINC001467839880 1067489925 /nfs/dbraw/zinc/48/99/25/1067489925.db2.gz GJRMVRJGGRYLIG-UHFFFAOYSA-N 0 0 380.510 3.752 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)n([C@@H]2CCCOC2)c1C ZINC001467839499 1067490159 /nfs/dbraw/zinc/49/01/59/1067490159.db2.gz ASGQGRCHBARHAM-MRXNPFEDSA-N 0 0 377.481 3.578 20 10 GHCDRN COc1cc2c(c(OC)c1)N(CC[C@@H]1Sc3ccccc3NC1=O)CCC2 ZINC001473552999 1067567834 /nfs/dbraw/zinc/56/78/34/1067567834.db2.gz BOIGTSCZXDTMNO-IBGZPJMESA-N 0 0 384.501 3.960 20 10 GHCDRN CC(C)[C@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001468094840 1067593686 /nfs/dbraw/zinc/59/36/86/1067593686.db2.gz GGECNTBHWNJASO-NRFANRHFSA-N 0 0 399.510 3.729 20 10 GHCDRN CC(C)C(NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C(C)C ZINC001468095299 1067593807 /nfs/dbraw/zinc/59/38/07/1067593807.db2.gz QLFYQYIKBLKLSE-HZPDHXFCSA-N 0 0 379.520 3.919 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCN(c3ccc(C)cc3)CC2)cc1 ZINC001468121879 1067602984 /nfs/dbraw/zinc/60/29/84/1067602984.db2.gz ZVQPASSMFZCRRL-UHFFFAOYSA-N 0 0 380.536 3.873 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](C(C)C)[C@H](CO)C(C)C)c1 ZINC001468289434 1067670481 /nfs/dbraw/zinc/67/04/81/1067670481.db2.gz HYWXFGSXPATPSN-FGZHOGPDSA-N 0 0 384.520 3.926 20 10 GHCDRN CCCOc1ccc(/C=C2/SC(=S)N(CCCC(=O)OC)C2=O)c(C)c1 ZINC000849174116 1067752374 /nfs/dbraw/zinc/75/23/74/1067752374.db2.gz OUHSWAFKBAUUOX-FOWTUZBSSA-N 0 0 393.530 3.938 20 10 GHCDRN CC(C)(C)OC(=O)NC1(CNC(=O)N2Cc3cccc(O)c3C2)CCCCC1 ZINC001468498943 1067752540 /nfs/dbraw/zinc/75/25/40/1067752540.db2.gz QDSAZCCLHHAWNN-UHFFFAOYSA-N 0 0 389.496 3.645 20 10 GHCDRN CCOc1ccc(/C=C2/SC(=S)N(CCCC(=O)OC)C2=O)c(C)c1 ZINC000849174843 1067753637 /nfs/dbraw/zinc/75/36/37/1067753637.db2.gz VTDBJKJMYSYRJV-RVDMUPIBSA-N 0 0 379.503 3.548 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N3CCC[C@H](c4ccn(C)n4)C3)cc2)CC1 ZINC001477823511 1078580222 /nfs/dbraw/zinc/58/02/22/1078580222.db2.gz WVPVPZZSFOYANZ-FQEVSTJZSA-N 0 0 395.551 3.746 20 10 GHCDRN C[C@@H](c1ccccc1)[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000849230972 1067771713 /nfs/dbraw/zinc/77/17/13/1067771713.db2.gz PDBNPCZMPVCUIL-HRAATJIYSA-N 0 0 397.475 3.932 20 10 GHCDRN COc1cccc([C@@H]2C(=O)N([C@H](C)Cc3ccc(N(C)C)cc3C)C(=O)N2C)c1 ZINC000849356451 1067819698 /nfs/dbraw/zinc/81/96/98/1067819698.db2.gz GVAUACKAEJTMPP-IIBYNOLFSA-N 0 0 395.503 3.636 20 10 GHCDRN CC(C)[C@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)C1(CO)CCC1 ZINC001468679763 1067820852 /nfs/dbraw/zinc/82/08/52/1067820852.db2.gz PVQMCHUGXYPCRE-NRFANRHFSA-N 0 0 387.568 3.909 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)CCc1ccc(F)cc1 ZINC000849368835 1067823861 /nfs/dbraw/zinc/82/38/61/1067823861.db2.gz JMDOFVATLITNKU-UHFFFAOYSA-N 0 0 390.524 3.820 20 10 GHCDRN O=C(NCC1(c2ccccc2Br)CC1)N1Cc2cccc(O)c2C1 ZINC001468984767 1067944808 /nfs/dbraw/zinc/94/48/08/1067944808.db2.gz HPNLQIOPCZACEX-UHFFFAOYSA-N 0 0 387.277 3.912 20 10 GHCDRN Cc1ccc(NC(=O)N(C)C)c(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC001469104692 1067980025 /nfs/dbraw/zinc/98/00/25/1067980025.db2.gz RYQWIXBOHUHREJ-KRWDZBQOSA-N 0 0 396.535 3.824 20 10 GHCDRN CO[C@H](C)c1nc(CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)cs1 ZINC001469169035 1068007497 /nfs/dbraw/zinc/00/74/97/1068007497.db2.gz JTUISHROTPXMJG-OAHLLOKOSA-N 0 0 388.537 3.792 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc2cccc(Cl)c2o1 ZINC001469230145 1068042744 /nfs/dbraw/zinc/04/27/44/1068042744.db2.gz GKIMPPZMELBFLG-UHFFFAOYSA-N 0 0 387.819 3.997 20 10 GHCDRN O=C1CCc2cc([N+](=O)[O-])c(NCc3cccc(Br)c3O)cc2N1 ZINC000764935338 1068103826 /nfs/dbraw/zinc/10/38/26/1068103826.db2.gz RRRTUYPIAYKVHI-UHFFFAOYSA-N 0 0 392.209 3.560 20 10 GHCDRN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC(=S)N1c1ccccc1 ZINC000765970993 1068127611 /nfs/dbraw/zinc/12/76/11/1068127611.db2.gz RTRZQRKTHGXAOJ-ZSOIEALJSA-N 0 0 387.398 3.909 20 10 GHCDRN O=C(NCCOc1ccc(F)c(Cl)c1)NCc1ccc(N2CC=CC2)cc1 ZINC001477984517 1078657583 /nfs/dbraw/zinc/65/75/83/1078657583.db2.gz PSOPIBKNDUQUHS-UHFFFAOYSA-N 0 0 389.858 3.734 20 10 GHCDRN C[C@@H]1CN(c2cc(F)cc(NC(=O)c3ccc(N=NC(N)=O)cc3)c2)C[C@H](C)O1 ZINC001469740620 1068351014 /nfs/dbraw/zinc/35/10/14/1068351014.db2.gz PPVIJCYFNQHJGX-BETUJISGSA-N 0 0 399.426 3.854 20 10 GHCDRN CC(C)CC(C)(C)CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001478106407 1078720840 /nfs/dbraw/zinc/72/08/40/1078720840.db2.gz WWSSRSADOSKADW-UHFFFAOYSA-N 0 0 383.483 3.673 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N3c4ccccc4C[C@@H]3CO)c2C)cc1 ZINC001469984007 1068504426 /nfs/dbraw/zinc/50/44/26/1068504426.db2.gz SVHDBMPEVLOAKY-LJQANCHMSA-N 0 0 376.456 3.667 20 10 GHCDRN COc1ccc(F)c(CNC(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)c1 ZINC001470374769 1068707325 /nfs/dbraw/zinc/70/73/25/1068707325.db2.gz MPTOHZNUPUEJEY-UHFFFAOYSA-N 0 0 394.446 3.913 20 10 GHCDRN COC(=O)[C@H](c1ccc(Br)s1)N(C)Cc1ccc(N(C)C)cc1 ZINC001460659289 1069064968 /nfs/dbraw/zinc/06/49/68/1069064968.db2.gz DBPYSSJYFSJFFQ-INIZCTEOSA-N 0 0 397.338 3.923 20 10 GHCDRN C[C@H](NC(=O)NCCOc1ccc(F)c(Cl)c1)c1ccc(N(C)C)cc1 ZINC001478471231 1078881571 /nfs/dbraw/zinc/88/15/71/1078881571.db2.gz QSJYVKQNUNOMFN-ZDUSSCGKSA-N 0 0 379.863 3.984 20 10 GHCDRN C[C@H](NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC001478471528 1078881658 /nfs/dbraw/zinc/88/16/58/1078881658.db2.gz ZMCFSVGOFQGPLV-DAYGRLMNSA-N 0 0 390.528 3.511 20 10 GHCDRN C[C@H](NC(=O)NCc1cc(Cl)ccc1O)c1ccc(-n2cccn2)c(F)c1 ZINC001478707737 1078962533 /nfs/dbraw/zinc/96/25/33/1078962533.db2.gz BFDUMYITJMKZCH-LBPRGKRZSA-N 0 0 388.830 3.931 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC001470935013 1072829231 /nfs/dbraw/zinc/82/92/31/1072829231.db2.gz BLNNACKYTNLHSM-DOTOQJQBSA-N 0 0 380.410 3.645 20 10 GHCDRN Cc1cc(CCNC(=O)NCC2(CO)CCCCC2)c(C)n1-c1ccccc1 ZINC001470968624 1072856213 /nfs/dbraw/zinc/85/62/13/1072856213.db2.gz BUYUVGXTISNFRA-UHFFFAOYSA-N 0 0 383.536 3.879 20 10 GHCDRN Cc1cc(CNC(=O)[C@@H](C)NC(=O)C2CCCCC2)c(C)n1-c1ccccc1 ZINC001471017415 1072886115 /nfs/dbraw/zinc/88/61/15/1072886115.db2.gz IRJJHKPBWBYCKS-QGZVFWFLSA-N 0 0 381.520 3.795 20 10 GHCDRN Cc1cc(CNC(=O)NC[C@](C)(O)c2cccc(F)c2)c(C)n1-c1ccccc1 ZINC001471036674 1072896413 /nfs/dbraw/zinc/89/64/13/1072896413.db2.gz GBXMZKDQZZFMFK-QHCPKHFHSA-N 0 0 395.478 3.940 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)CC1(O)CCCCCC1 ZINC001478840807 1079000279 /nfs/dbraw/zinc/00/02/79/1079000279.db2.gz HXVLXLLHJPTTFS-SFHVURJKSA-N 0 0 375.557 3.719 20 10 GHCDRN C[C@@H](NC(=O)c1ccc(F)cc1I)c1ccccc1O ZINC001471195422 1072961698 /nfs/dbraw/zinc/96/16/98/1072961698.db2.gz HUAUBOREFQDIMU-SECBINFHSA-N 0 0 385.176 3.627 20 10 GHCDRN C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1O ZINC001471195105 1072961775 /nfs/dbraw/zinc/96/17/75/1072961775.db2.gz BUIJVMHKJIBAEW-HNNXBMFYSA-N 0 0 396.468 3.684 20 10 GHCDRN C[C@@H](NC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccccc1O ZINC001471196326 1072962361 /nfs/dbraw/zinc/96/23/61/1072962361.db2.gz YJSGTJJTIQYOTE-SNVBAGLBSA-N 0 0 394.328 3.622 20 10 GHCDRN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(O)c2C1 ZINC001471355103 1073036416 /nfs/dbraw/zinc/03/64/16/1073036416.db2.gz AGDXGDUZVORHFK-NRFANRHFSA-N 0 0 376.497 3.812 20 10 GHCDRN COc1ccc(CNC(=O)NCc2cc(Br)ccc2Cl)c(O)c1 ZINC001471364511 1073040102 /nfs/dbraw/zinc/04/01/02/1073040102.db2.gz ZKJGFQNJEFJLJR-UHFFFAOYSA-N 0 0 399.672 3.816 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)NCCC3CCC(F)(F)CC3)C2)cc1 ZINC001478957433 1079038785 /nfs/dbraw/zinc/03/87/85/1079038785.db2.gz OTBNOEUIEWIMQG-INIZCTEOSA-N 0 0 381.467 3.789 20 10 GHCDRN O=C(Nc1cccc([C@@H]2CCCC(=O)N2)c1)c1cc2cc(O)c(O)cc2s1 ZINC001471913127 1073256835 /nfs/dbraw/zinc/25/68/35/1073256835.db2.gz ITFRMDJJVCPBEN-AWEZNQCLSA-N 0 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/nfs/dbraw/zinc/14/13/82/1079141382.db2.gz AKJOWUPURFDCEM-UHFFFAOYSA-N 0 0 389.702 3.912 20 10 GHCDRN CC(C)c1nc(CCNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)n(C)n1 ZINC001472878940 1073708163 /nfs/dbraw/zinc/70/81/63/1073708163.db2.gz WBSGEEMKKUWXJD-UHFFFAOYSA-N 0 0 393.447 3.732 20 10 GHCDRN COC(=O)c1cnc(S[C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)s1 ZINC001473034896 1073756619 /nfs/dbraw/zinc/75/66/19/1073756619.db2.gz AFGXETQJNFMXMT-ZETCQYMHSA-N 0 0 397.478 3.798 20 10 GHCDRN COC(=O)C1(c2ccc(CN(C)c3cc(OC)c(OC)c(OC)c3)cc2)CC1 ZINC001473166545 1073826017 /nfs/dbraw/zinc/82/60/17/1073826017.db2.gz YQRWKDRKCMVQIS-UHFFFAOYSA-N 0 0 385.460 3.553 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]CCc1cn2ccccc2n1 ZINC001473924262 1074205709 /nfs/dbraw/zinc/20/57/09/1074205709.db2.gz SFIHHYSHFPSCOD-UHFFFAOYSA-N 0 0 380.673 3.788 20 10 GHCDRN Cc1c(NCc2ccc(N3CCCC3)cc2)cccc1C(=O)N1CCOCC1 ZINC001473959550 1074218816 /nfs/dbraw/zinc/21/88/16/1074218816.db2.gz VGSYKFMDXYLDMD-UHFFFAOYSA-N 0 0 379.504 3.680 20 10 GHCDRN Cc1ccccc1C[C@H](CO)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC001474114864 1074267638 /nfs/dbraw/zinc/26/76/38/1074267638.db2.gz NXQFUZYMHMAJSF-OAHLLOKOSA-N 0 0 384.701 3.810 20 10 GHCDRN Brc1cc(CNc2n[nH]c3c2COCC3)ccc1N1CCCCC1 ZINC001474265753 1074317167 /nfs/dbraw/zinc/31/71/67/1074317167.db2.gz FVTPHSXUTCLRBT-UHFFFAOYSA-N 0 0 391.313 3.847 20 10 GHCDRN CN(C)c1ccc(CNCc2cc(C(F)(F)F)n(C)n2)c(C(F)(F)F)c1 ZINC001474292739 1074328284 /nfs/dbraw/zinc/32/82/84/1074328284.db2.gz QCZLTSKGHUKIEA-UHFFFAOYSA-N 0 0 380.336 3.814 20 10 GHCDRN C[N@H+](Cc1cc(Br)cc(F)c1[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC001474366919 1074367027 /nfs/dbraw/zinc/36/70/27/1074367027.db2.gz HMZRRYRTSAYJAB-INIZCTEOSA-N 0 0 393.256 3.531 20 10 GHCDRN CCOC(=O)COc1cccc(NCc2c(O)cccc2Br)c1 ZINC001474430005 1074402565 /nfs/dbraw/zinc/40/25/65/1074402565.db2.gz RYZNSRQZBXCNLS-UHFFFAOYSA-N 0 0 380.238 3.709 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[N@H+]2Cc3ncccc3N3CCC[C@H]3C2)c1 ZINC001474741226 1074541034 /nfs/dbraw/zinc/54/10/34/1074541034.db2.gz HYPOGVIIPIOVEL-HNNXBMFYSA-N 0 0 388.309 3.843 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001474740925 1074541117 /nfs/dbraw/zinc/54/11/17/1074541117.db2.gz RMJUXEDROAPCGH-MQMHXKEQSA-N 0 0 399.329 3.856 20 10 GHCDRN CN(C)c1ccc(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1F ZINC001474891701 1074616174 /nfs/dbraw/zinc/61/61/74/1074616174.db2.gz QVFLVQGGPNIUCZ-UHFFFAOYSA-N 0 0 377.268 3.677 20 10 GHCDRN COc1ccc(N2CCC(NS(=O)(=O)c3ccc(Cl)c(C)c3)CC2)cc1 ZINC001474915635 1074630415 /nfs/dbraw/zinc/63/04/15/1074630415.db2.gz BNERWISRLNOJIQ-UHFFFAOYSA-N 0 0 394.924 3.604 20 10 GHCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2ccc3ncsc3c2)cc1F ZINC001474953242 1074649530 /nfs/dbraw/zinc/64/95/30/1074649530.db2.gz IATIZWJYFAPUCK-UHFFFAOYSA-N 0 0 393.509 3.760 20 10 GHCDRN C[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC001494157586 1079322223 /nfs/dbraw/zinc/32/22/23/1079322223.db2.gz TYFXLXOJVCMJCP-HDICACEKSA-N 0 0 397.567 3.553 20 10 GHCDRN O=S(=O)(NCc1cc(Cl)ccc1O)c1csnc1-c1ccccc1 ZINC001475467757 1074886151 /nfs/dbraw/zinc/88/61/51/1074886151.db2.gz UTNYUWJRXIXHCM-UHFFFAOYSA-N 0 0 380.878 3.648 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC001475918871 1075049190 /nfs/dbraw/zinc/04/91/90/1075049190.db2.gz INFFODZFUREYLZ-UHFFFAOYSA-N 0 0 392.843 3.857 20 10 GHCDRN O=C(NCc1cccc(Cl)c1O)Nc1ccc(=O)n(Cc2ccccc2)c1 ZINC001475986387 1075064050 /nfs/dbraw/zinc/06/40/50/1075064050.db2.gz OREKJFCRBMQLEX-UHFFFAOYSA-N 0 0 383.835 3.577 20 10 GHCDRN CC[C@@]1(C)CN(c2nnc(C(C)C)n2Cc2ccc(N(C)C)cc2C)CCO1 ZINC001497596442 1079505139 /nfs/dbraw/zinc/50/51/39/1079505139.db2.gz CVHQINOPTQBDEN-QFIPXVFZSA-N 0 0 385.556 3.830 20 10 GHCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@](C)(CO)Cc2ccc(Cl)cc2)c1[O-] ZINC001560183336 1126209112 /nfs/dbraw/zinc/20/91/12/1126209112.db2.gz MSBPYHYMLXFDEL-IBGZPJMESA-N 0 0 382.287 3.985 20 10 GHCDRN Cc1cccc(C[C@@H](CO)[NH2+]Cc2cc(Cl)cc(Br)c2[O-])c1 ZINC001560441032 1126210640 /nfs/dbraw/zinc/21/06/40/1126210640.db2.gz OBWZLGSNNBGZPZ-HNNXBMFYSA-N 0 0 384.701 3.810 20 10 GHCDRN O=C1C(=Cc2ccccc2)SC(=S)N1c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000738292319 598360151 /nfs/dbraw/zinc/36/01/51/598360151.db2.gz YTFPSZQPIIZBAJ-RIYZIHGNSA-N 0 0 399.888 3.926 20 10 GHCDRN CC1CCN(c2ccc(CNc3snc(Cl)c3-c3nn[nH]n3)cc2)CC1 ZINC000736280246 598503073 /nfs/dbraw/zinc/50/30/73/598503073.db2.gz PHHOYDLNUFTNFK-UHFFFAOYSA-N 0 0 389.916 3.825 20 10 GHCDRN C[C@H](Nc1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000736136243 598663861 /nfs/dbraw/zinc/66/38/61/598663861.db2.gz FPTCYOIKIKQDKW-ZDUSSCGKSA-N 0 0 384.871 3.530 20 10 GHCDRN O=C([O-])C[N@H+](Cc1cc(Cl)nc(Cl)c1)Cc1cc(Cl)ccc1O ZINC000739793135 600145034 /nfs/dbraw/zinc/14/50/34/600145034.db2.gz AIYGSXVLBHQSHH-UHFFFAOYSA-N 0 0 375.639 3.834 20 10 GHCDRN Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nn[nH]n4)cc3F)SC2=S)cc1 ZINC000822241490 607456419 /nfs/dbraw/zinc/45/64/19/607456419.db2.gz XYYOPKDUHNXEHB-OQLLNIDSSA-N 0 0 397.460 3.720 20 10 GHCDRN CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000824293436 608580080 /nfs/dbraw/zinc/58/00/80/608580080.db2.gz LQUJSHYPCLFMQO-UHFFFAOYSA-N 0 0 375.835 3.775 20 10 GHCDRN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC(CC(F)(F)F)C2)C1 ZINC000683492635 837406400 /nfs/dbraw/zinc/40/64/00/837406400.db2.gz PYMFXTCCAIHTPC-UHFFFAOYSA-N 0 0 393.453 3.819 20 10 GHCDRN CCOc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc(Cl)c1O ZINC000186841314 837437869 /nfs/dbraw/zinc/43/78/69/837437869.db2.gz LUNZUWJBVIXTQU-UHFFFAOYSA-N 0 0 376.840 3.550 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC1CCN(c2ccccc2)CC1 ZINC000127906167 834561747 /nfs/dbraw/zinc/56/17/47/834561747.db2.gz CHXJTZXAEIKFHM-UHFFFAOYSA-N 0 0 376.504 3.531 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)cc1 ZINC000175714847 834608907 /nfs/dbraw/zinc/60/89/07/834608907.db2.gz PUOUXQGCQJUPQC-UHFFFAOYSA-N 0 0 389.839 3.609 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3cccc(F)c3OC(F)(F)F)CC2)cc1 ZINC001266268283 834632309 /nfs/dbraw/zinc/63/23/09/834632309.db2.gz DUJKDYTZYBCQMY-UHFFFAOYSA-N 0 0 398.356 3.695 20 10 GHCDRN O=[N+]([O-])c1ccc(NCc2ccc(N3CCC(O)CC3)c(F)c2)c2ncccc12 ZINC000052457697 834716932 /nfs/dbraw/zinc/71/69/32/834716932.db2.gz JKQABVGZMSFTTA-UHFFFAOYSA-N 0 0 396.422 3.855 20 10 GHCDRN CCOc1ccc2cc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)[nH]c2c1 ZINC000065599381 834881105 /nfs/dbraw/zinc/88/11/05/834881105.db2.gz ZBGLKUUIBLSWON-INIZCTEOSA-N 0 0 393.487 3.894 20 10 GHCDRN CN(C)c1ccc(/N=N/c2ccccc2C(=O)N2CCC[C@H](C(N)=O)C2)cc1 ZINC000131448393 835204825 /nfs/dbraw/zinc/20/48/25/835204825.db2.gz DEMSKSDOBFKNLS-KGHZBTQCSA-N 0 0 379.464 3.506 20 10 GHCDRN Cc1ccc(C(C)(C)CNC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000728597778 835241387 /nfs/dbraw/zinc/24/13/87/835241387.db2.gz QMFGPAYOAFGOBF-UHFFFAOYSA-N 0 0 381.520 3.609 20 10 GHCDRN COc1c([O-])c(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000278510978 835272465 /nfs/dbraw/zinc/27/24/65/835272465.db2.gz PXHBLOFEOYEBGX-RHSMWYFYSA-N 0 0 378.812 3.582 20 10 GHCDRN C[C@@H]1CCn2ncc(C(=O)N(Cc3ccc(N(C)C)cc3)CC(F)(F)F)c2C1 ZINC000843544295 835369306 /nfs/dbraw/zinc/36/93/06/835369306.db2.gz QJOCUDSBBDDGKW-CQSZACIVSA-N 0 0 394.441 3.736 20 10 GHCDRN COC(=O)C1=C(C)O[C@H](CN(Cc2ccco2)c2ccc(OC)c(F)c2)C1 ZINC001167680408 835395859 /nfs/dbraw/zinc/39/58/59/835395859.db2.gz CUUVFMWXPQHWJO-INIZCTEOSA-N 0 0 375.396 3.670 20 10 GHCDRN O=S1(=O)CC[C@@H](N(Cc2ccccc2F)Cc2c(O)ccc3ccccc32)C1 ZINC000176990729 835435206 /nfs/dbraw/zinc/43/52/06/835435206.db2.gz QRIPAUGWIRLROW-GOSISDBHSA-N 0 0 399.487 3.874 20 10 GHCDRN Cc1cc(C(=O)CN2CCC[C@H](C3OCCO3)C2)c(C)n1-c1cccc(F)c1 ZINC000728928475 844073812 /nfs/dbraw/zinc/07/38/12/844073812.db2.gz UTKZEGYIQGSESF-KRWDZBQOSA-N 0 0 386.467 3.501 20 10 GHCDRN CC[C@H](CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 ZINC000120567423 835757977 /nfs/dbraw/zinc/75/79/77/835757977.db2.gz IJBKYJURXFZRRM-GOSISDBHSA-N 0 0 399.510 3.780 20 10 GHCDRN O=C(NCC[C@H]1CNc2ccccc21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000892374148 835781330 /nfs/dbraw/zinc/78/13/30/835781330.db2.gz AVCRTJDYUFVIHB-HKUYNNGSSA-N 0 0 395.503 3.682 20 10 GHCDRN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000588594575 835903101 /nfs/dbraw/zinc/90/31/01/835903101.db2.gz BKPIGAKITUYEGI-GHXNOFRVSA-N 0 0 398.400 3.836 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cc1ccc(NC(=O)C2CC2)cc1 ZINC000471220421 835953656 /nfs/dbraw/zinc/95/36/56/835953656.db2.gz NJQDRMYCUKRQOZ-UHFFFAOYSA-N 0 0 375.472 3.694 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(C)(C)c1ccc2c(c1)OCCO2 ZINC000471228204 836034282 /nfs/dbraw/zinc/03/42/82/836034282.db2.gz SJSILJLPWNRGGB-UHFFFAOYSA-N 0 0 378.472 3.852 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cc(-c2cnn(C)c2)ccc1F ZINC000471229134 836039501 /nfs/dbraw/zinc/03/95/01/836039501.db2.gz SXXXGVRADDLVBL-UHFFFAOYSA-N 0 0 376.435 3.956 20 10 GHCDRN COc1ccc(C(=O)CCC(=O)NCc2c(C)c3ccccc3n2C)cc1F ZINC000473271807 844127310 /nfs/dbraw/zinc/12/73/10/844127310.db2.gz UGNZZFUUZJBHSX-UHFFFAOYSA-N 0 0 382.435 3.914 20 10 GHCDRN Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)nc(C(F)(F)F)n1 ZINC000275095384 836202838 /nfs/dbraw/zinc/20/28/38/836202838.db2.gz NGCASZONIIOYRP-UHFFFAOYSA-N 0 0 378.398 3.675 20 10 GHCDRN CC(C)c1cnc(-c2ccc(NC(=O)C3=S=C(c4cc[nH]n4)C=C3)cc2)o1 ZINC000431819377 836247041 /nfs/dbraw/zinc/24/70/41/836247041.db2.gz ZTJJAUJRKNJHSO-UHFFFAOYSA-N 0 0 378.457 3.823 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3scnc3C(C)(C)C)CC2)cc1F ZINC000177288860 836260407 /nfs/dbraw/zinc/26/04/07/836260407.db2.gz AINZORKCRWBCJV-UHFFFAOYSA-N 0 0 377.485 3.551 20 10 GHCDRN COc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3c3cc(F)ccc3F)CC2)cc1F ZINC000177284645 836267332 /nfs/dbraw/zinc/26/73/32/836267332.db2.gz MJBQQNJOXODGQZ-RDJZCZTQSA-N 0 0 390.405 3.565 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000275222228 836402206 /nfs/dbraw/zinc/40/22/06/836402206.db2.gz HJJGOBDOLFUCBA-HSVJCBRXSA-N 0 0 389.835 3.818 20 10 GHCDRN C[N@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccc(N2CCCCC2)cc1 ZINC000155242978 836648346 /nfs/dbraw/zinc/64/83/46/836648346.db2.gz DTDUASXSKVZGIP-UHFFFAOYSA-N 0 0 386.565 3.602 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)Oc2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC001125800307 836791738 /nfs/dbraw/zinc/79/17/38/836791738.db2.gz VMZJNTRTMLCFPB-UHFFFAOYSA-N 0 0 398.484 3.564 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc2c1OCO2 ZINC000782647645 836824554 /nfs/dbraw/zinc/82/45/54/836824554.db2.gz UBTYGPHTWQSIST-UHFFFAOYSA-N 0 0 393.237 3.937 20 10 GHCDRN COc1ccc(C(=O)CCC(=O)NCc2c(O)ccc3c2CCCC3)cc1F ZINC000176189053 844216991 /nfs/dbraw/zinc/21/69/91/844216991.db2.gz CCFZDKWPNFUHQS-UHFFFAOYSA-N 0 0 385.435 3.698 20 10 GHCDRN CCN(CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[C@@H](C)C(C)C ZINC001167240613 837005665 /nfs/dbraw/zinc/00/56/65/837005665.db2.gz HLTKILRPAFKVBJ-HNNXBMFYSA-N 0 0 378.472 3.767 20 10 GHCDRN CC(=O)N1CCCN(CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1 ZINC000027564359 837059689 /nfs/dbraw/zinc/05/96/89/837059689.db2.gz QCPCLCWLRUOMMI-WCWDXBQESA-N 0 0 379.464 3.595 20 10 GHCDRN Cc1cnccc1CNC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000275455781 837070846 /nfs/dbraw/zinc/07/08/46/837070846.db2.gz YHYCWPOIKXONEA-UHFFFAOYSA-N 0 0 378.476 3.961 20 10 GHCDRN CCc1nc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)sc1C ZINC000177744204 837106210 /nfs/dbraw/zinc/10/62/10/837106210.db2.gz TZFSJXPORMXTIL-UHFFFAOYSA-N 0 0 378.473 3.516 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)OCc3occc3C(=O)OC)ccc21 ZINC000728637966 837187059 /nfs/dbraw/zinc/18/70/59/837187059.db2.gz UUVFEQIGMJINCL-UHFFFAOYSA-N 0 0 385.416 3.641 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1csc(Cc2cccc(F)c2)n1 ZINC000180828905 837202830 /nfs/dbraw/zinc/20/28/30/837202830.db2.gz QXHZBIUDBCTTRM-UHFFFAOYSA-N 0 0 397.475 3.978 20 10 GHCDRN O=C(NCCCSc1nccs1)NCc1sccc1Br ZINC000177805132 837241422 /nfs/dbraw/zinc/24/14/22/837241422.db2.gz ZIIDRKPJGDNBJM-UHFFFAOYSA-N 0 0 392.369 3.949 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)c3cc(C)[nH]c3C)ccc21 ZINC000728638931 837243309 /nfs/dbraw/zinc/24/33/09/837243309.db2.gz NGHORYIXORQLFC-UHFFFAOYSA-N 0 0 382.460 3.889 20 10 GHCDRN CCC(C)(C)NC(=O)[C@H](C)OC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000728639636 837293506 /nfs/dbraw/zinc/29/35/06/837293506.db2.gz QFDOJHFSLSXMHC-INIZCTEOSA-N 0 0 388.508 3.755 20 10 GHCDRN C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCOc2cc(N(C)C)ccc21 ZINC000181119819 837847186 /nfs/dbraw/zinc/84/71/86/837847186.db2.gz DLKDMMYKCXUHCG-KRWDZBQOSA-N 0 0 394.519 3.579 20 10 GHCDRN CC(C)C[C@H]1CCCN1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001167298735 837875817 /nfs/dbraw/zinc/87/58/17/837875817.db2.gz ZDOWNWBRQQPVPS-MRXNPFEDSA-N 0 0 390.483 3.911 20 10 GHCDRN Cc1ccc(Br)c(C(=O)Nc2cccc(N3CCOCC3)c2)c1 ZINC000133989068 837879169 /nfs/dbraw/zinc/87/91/69/837879169.db2.gz XDKSZJWNRXJCJZ-UHFFFAOYSA-N 0 0 375.266 3.846 20 10 GHCDRN Cc1noc(C2CC[NH+](Cc3cc(Cl)cc(Br)c3[O-])CC2)n1 ZINC000893962579 844276883 /nfs/dbraw/zinc/27/68/83/844276883.db2.gz NPASZVDTNGQKBN-UHFFFAOYSA-N 0 0 386.677 3.879 20 10 GHCDRN Cc1ccc(NC(=O)NCc2ccc3c(c2)CCCN3C)cc1C(=O)NC(C)C ZINC000066683964 837964615 /nfs/dbraw/zinc/96/46/15/837964615.db2.gz PYHZLTNDULBDRV-UHFFFAOYSA-N 0 0 394.519 3.837 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccnc(C)c1Br ZINC000782862220 838000263 /nfs/dbraw/zinc/00/02/63/838000263.db2.gz MDEUJMYLIKEHOX-UHFFFAOYSA-N 0 0 378.270 3.724 20 10 GHCDRN C[C@@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1cc(Br)c(F)cc1[O-] ZINC000756072370 838303897 /nfs/dbraw/zinc/30/38/97/838303897.db2.gz QSQOLCHXWHMVGR-VHSXEESVSA-N 0 0 391.281 3.858 20 10 GHCDRN O=C(NCc1cc2ccccc2o1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000122785948 838361958 /nfs/dbraw/zinc/36/19/58/838361958.db2.gz XMBIHIDFZFOFDY-UHFFFAOYSA-N 0 0 397.450 3.532 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc(S(C)(=O)=O)ccc2F)cc1 ZINC000024594056 838379973 /nfs/dbraw/zinc/37/99/73/838379973.db2.gz INJXVYVYBPXFRQ-UHFFFAOYSA-N 0 0 386.448 3.889 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000471495361 838531351 /nfs/dbraw/zinc/53/13/51/838531351.db2.gz IFBBBVYHDIAXNF-UHFFFAOYSA-N 0 0 392.503 3.850 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)cc1 ZINC000098128069 838660579 /nfs/dbraw/zinc/66/05/79/838660579.db2.gz ULDJIUMOQWMPSC-UHFFFAOYSA-N 0 0 389.839 3.609 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000180999246 838696309 /nfs/dbraw/zinc/69/63/09/838696309.db2.gz CXPMPRFNARUTTI-UHFFFAOYSA-N 0 0 395.429 3.515 20 10 GHCDRN Nc1ccc2c(c1Nc1cnc(C(F)(F)F)nc1)C(=O)c1ccccc1C2=O ZINC001210675010 838739706 /nfs/dbraw/zinc/73/97/06/838739706.db2.gz WHQPKEAEHQKNCF-UHFFFAOYSA-N 0 0 384.317 3.597 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000378278282 838753171 /nfs/dbraw/zinc/75/31/71/838753171.db2.gz VUTLIYOFZWKNJZ-OAQYLSRUSA-N 0 0 394.519 3.782 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000182158081 838991241 /nfs/dbraw/zinc/99/12/41/838991241.db2.gz LABYWTZAZDBGQH-UHFFFAOYSA-N 0 0 389.517 3.556 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@H]3C3CC3)cc2F)C[C@H](C)O1 ZINC000728747151 839078699 /nfs/dbraw/zinc/07/86/99/839078699.db2.gz ZXEQVZDEIIUTIO-KHYOSLBOSA-N 0 0 375.488 3.523 20 10 GHCDRN CC(C)n1ncc2cc(C=CC(=O)N3CCCSc4ccccc43)c(=O)[nH]c21 ZINC000728694232 839259170 /nfs/dbraw/zinc/25/91/70/839259170.db2.gz OQMCALOMWCPQKQ-HJWRWDBZSA-N 0 0 394.500 3.848 20 10 GHCDRN Cc1cc(C(=O)N[C@@](C)(CO)c2ccc(O)cc2)c(C)n1-c1ccc(F)cc1 ZINC001143491536 839267151 /nfs/dbraw/zinc/26/71/51/839267151.db2.gz CQUIWSKWQVSCCV-QFIPXVFZSA-N 0 0 382.435 3.576 20 10 GHCDRN Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1[O-])C2 ZINC000363859229 839290524 /nfs/dbraw/zinc/29/05/24/839290524.db2.gz FHHCRTNOHJMEEA-RNCFNFMXSA-N 0 0 380.261 3.600 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC[C@@H]1C1CC1 ZINC000728751523 839339753 /nfs/dbraw/zinc/33/97/53/839339753.db2.gz UNXQYYHUQLVQCR-GOSISDBHSA-N 0 0 379.451 3.841 20 10 GHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2occ3c2CCOC3)cc1 ZINC000377378379 839409102 /nfs/dbraw/zinc/40/91/02/839409102.db2.gz DPWUDVGXKNGIKC-UHFFFAOYSA-N 0 0 382.382 3.623 20 10 GHCDRN Cc1cc(CCNC(=O)C(=O)Nc2ccc(F)c(C)c2)c(C)n1-c1ccccc1 ZINC000728754114 839432690 /nfs/dbraw/zinc/43/26/90/839432690.db2.gz OKXGUDJBALDAFC-UHFFFAOYSA-N 0 0 393.462 3.839 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1ccccc1OC(C)C ZINC000472808273 839796419 /nfs/dbraw/zinc/79/64/19/839796419.db2.gz JQRUWEUGZZCNAC-UHFFFAOYSA-N 0 0 379.460 3.529 20 10 GHCDRN CCSc1cccc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000472809741 839800123 /nfs/dbraw/zinc/80/01/23/839800123.db2.gz UQELGMJDDCTJMB-UHFFFAOYSA-N 0 0 381.501 3.854 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H](COC)Cc3ccccc3)ccc21 ZINC000471603232 839929032 /nfs/dbraw/zinc/92/90/32/839929032.db2.gz RZDXOZGMDXFNLC-NRFANRHFSA-N 0 0 394.515 3.892 20 10 GHCDRN Cc1cc(C(=O)CN2CC[C@@H](C)[S@@](=O)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000759874351 840283729 /nfs/dbraw/zinc/28/37/29/840283729.db2.gz IPTPPVDVHKHYKG-CLYVBNDRSA-N 0 0 386.561 3.737 20 10 GHCDRN COC[C@@H](NC(=O)N[C@@H](C)c1cc(OC)ccc1O)c1ccc(Cl)cc1 ZINC000194666576 840332528 /nfs/dbraw/zinc/33/25/28/840332528.db2.gz KPXUVMMWUHDMSH-YVEFUNNKSA-N 0 0 378.856 3.802 20 10 GHCDRN CCC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000728310758 840415019 /nfs/dbraw/zinc/41/50/19/840415019.db2.gz VIRZSXCMLWWNCR-YLJYHZDGSA-N 0 0 391.531 3.945 20 10 GHCDRN Cc1cc(C(=O)NCCNC(=O)c2cccs2)c(C)n1-c1ccccc1C ZINC000195584796 840508692 /nfs/dbraw/zinc/50/86/92/840508692.db2.gz OJPYPPLLMNTWHS-UHFFFAOYSA-N 0 0 381.501 3.624 20 10 GHCDRN COC(=O)CN(CCSCc1ccccc1)Cc1cc(Cl)ccc1O ZINC001167742373 840580006 /nfs/dbraw/zinc/58/00/06/840580006.db2.gz YVFXJSOTLCMYGC-UHFFFAOYSA-N 0 0 379.909 3.954 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)CSCC(=O)Nc2ccc(C)cc2)cc1 ZINC000193744628 840680227 /nfs/dbraw/zinc/68/02/27/840680227.db2.gz BEBCYRYUQJMVSJ-UHFFFAOYSA-N 0 0 399.560 3.829 20 10 GHCDRN CCOc1c(Cl)cc(CNC(=O)N(C)Cc2ccccc2O)cc1OC ZINC000124053657 840727800 /nfs/dbraw/zinc/72/78/00/840727800.db2.gz PXNBPNGSCGSUGW-UHFFFAOYSA-N 0 0 378.856 3.795 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1cccnc1Oc1cccc(F)c1 ZINC000588403241 840921246 /nfs/dbraw/zinc/92/12/46/840921246.db2.gz AOXZKTVZTVDKFV-CLFYSBASSA-N 0 0 380.375 3.754 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCC1(c2ccccc2Br)CC1 ZINC000588407085 841069010 /nfs/dbraw/zinc/06/90/10/841069010.db2.gz VLGXJJLOJQQJJJ-VURMDHGXSA-N 0 0 388.261 3.722 20 10 GHCDRN CN(C)C(=O)CCCNC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000255293972 841125138 /nfs/dbraw/zinc/12/51/38/841125138.db2.gz PKZRNVHWLGGTNH-UHFFFAOYSA-N 0 0 381.480 3.766 20 10 GHCDRN C[C@H](CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccncc1 ZINC000160890215 841268343 /nfs/dbraw/zinc/26/83/43/841268343.db2.gz OXFNZASHJRNCJA-WBVHZDCISA-N 0 0 389.446 3.962 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCOC[C@@H]3CC3CCC3)ccc21 ZINC000581451147 841444404 /nfs/dbraw/zinc/44/44/04/841444404.db2.gz NPNNYSHRDIWTKQ-FQEVSTJZSA-N 0 0 384.520 3.936 20 10 GHCDRN O=C1/C(=C/c2ccccc2Br)SC(=S)N1Cc1ccon1 ZINC000178017715 841455834 /nfs/dbraw/zinc/45/58/34/841455834.db2.gz WUHYDGXADVPBKS-GHXNOFRVSA-N 0 0 381.276 3.839 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCCC[C@@H]2C(N)=O)cc1 ZINC000255311597 841513677 /nfs/dbraw/zinc/51/36/77/841513677.db2.gz ROCKNINHRQXIAV-LJQANCHMSA-N 0 0 379.464 3.648 20 10 GHCDRN Oc1ccc(C[C@H](O)c2nc(-c3ccc4nccc(Cl)c4c3)no2)cc1O ZINC001211664950 841568930 /nfs/dbraw/zinc/56/89/30/841568930.db2.gz CCUIXJGLVQTSNL-KRWDZBQOSA-N 0 0 383.791 3.626 20 10 GHCDRN Oc1ccc(C[C@H](O)c2nc(-c3cc(C(F)(F)F)ccc3F)no2)cc1O ZINC001211665431 841596970 /nfs/dbraw/zinc/59/69/70/841596970.db2.gz RJMFARXHUBILSO-AWEZNQCLSA-N 0 0 384.285 3.582 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(-c2noc([C@H](O)Cc3ccc(O)c(O)c3)n2)cc1 ZINC001211665677 841616222 /nfs/dbraw/zinc/61/62/22/841616222.db2.gz VOEMNOLXRMXTID-HXUWFJFHSA-N 0 0 391.427 3.831 20 10 GHCDRN Cc1ccc(NCCCNC(=O)N(Cc2ccco2)Cc2ccccc2O)nc1 ZINC000171010883 861219905 /nfs/dbraw/zinc/21/99/05/861219905.db2.gz OSGGKXCIJQITTN-UHFFFAOYSA-N 0 0 394.475 3.903 20 10 GHCDRN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC000157244642 841708958 /nfs/dbraw/zinc/70/89/58/841708958.db2.gz QRLQKGNPNQALBB-QGZVFWFLSA-N 0 0 395.503 3.677 20 10 GHCDRN CC(=O)NC1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000255327550 841724573 /nfs/dbraw/zinc/72/45/73/841724573.db2.gz SHESFTLRIKLFSJ-UHFFFAOYSA-N 0 0 379.464 3.641 20 10 GHCDRN CSCCCN1C(=O)/C(=C/c2cnn(-c3ccccc3)c2)SC1=S ZINC000255335222 841837125 /nfs/dbraw/zinc/83/71/25/841837125.db2.gz MLRGTABMVYDSSV-GDNBJRDFSA-N 0 0 375.544 3.827 20 10 GHCDRN CCN(CC)c1ccc(CNc2ccc(C(=O)N3CCC(O)CC3)cc2)cc1 ZINC000278921116 842040116 /nfs/dbraw/zinc/04/01/16/842040116.db2.gz KMNWMTMLZOGNOC-UHFFFAOYSA-N 0 0 381.520 3.742 20 10 GHCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)/C=C\c2ccc(O)cc2)cc1 ZINC000255365819 842043575 /nfs/dbraw/zinc/04/35/75/842043575.db2.gz MKHUZMKWYYXKEI-VKVQTHCXSA-N 0 0 380.488 3.679 20 10 GHCDRN NC(=O)c1ccc(N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c([N+](=O)[O-])c1 ZINC000603868430 861297860 /nfs/dbraw/zinc/29/78/60/861297860.db2.gz ZOBPJVGCNVJDMF-UHFFFAOYSA-N 0 0 380.379 3.608 20 10 GHCDRN COc1ccc2c(c1)C(=O)N(C1CC1)[C@@H](c1cccc(Br)c1O)N2 ZINC000106899673 842384394 /nfs/dbraw/zinc/38/43/94/842384394.db2.gz KBEOMBODWLIQGE-KRWDZBQOSA-N 0 0 389.249 3.892 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1cc([C@@H]2CCCO2)nn1C ZINC000278977973 842411227 /nfs/dbraw/zinc/41/12/27/842411227.db2.gz LSIJZOIEODSRGH-FQEVSTJZSA-N 0 0 397.523 3.926 20 10 GHCDRN COc1ccc(N2CCCN(Cc3nc(-c4ccc(F)c(C)c4)no3)CC2)cc1 ZINC000766018486 861328856 /nfs/dbraw/zinc/32/88/56/861328856.db2.gz KIRLEYDCVGOMJX-UHFFFAOYSA-N 0 0 396.466 3.905 20 10 GHCDRN CN(C)c1ccc([C@H](O)c2nc(-c3ccc(F)cc3Br)no2)cc1 ZINC001211701039 842660332 /nfs/dbraw/zinc/66/03/32/842660332.db2.gz HQSLZZALDJXSII-HNNXBMFYSA-N 0 0 392.228 3.786 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1nc(-c2cccc(F)c2)no1 ZINC000279283389 842802022 /nfs/dbraw/zinc/80/20/22/842802022.db2.gz XYYJPPYVMMIHPB-UHFFFAOYSA-N 0 0 397.454 3.673 20 10 GHCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCc2ccccc2O)cc1 ZINC000120351200 842976329 /nfs/dbraw/zinc/97/63/29/842976329.db2.gz WXEAIPRGUSBEJS-NRFANRHFSA-N 0 0 382.504 3.599 20 10 GHCDRN COc1c(O)c(CNc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278863077 843077546 /nfs/dbraw/zinc/07/75/46/843077546.db2.gz MCDFDAFGWMMXMH-OKILXGFUSA-N 0 0 387.436 3.535 20 10 GHCDRN COc1ccc(CCCNC(=O)NCc2ccc(N3CCCC3)cc2)cc1OC ZINC000065035829 843083381 /nfs/dbraw/zinc/08/33/81/843083381.db2.gz KWLATOIOUUKBJQ-UHFFFAOYSA-N 0 0 397.519 3.736 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000171068257 861382099 /nfs/dbraw/zinc/38/20/99/861382099.db2.gz CHTOSGOSNPXFKW-HNNXBMFYSA-N 0 0 398.463 3.633 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N[C@H](C)Cc3ccccc3C)CC2)cc1 ZINC000171068385 861384030 /nfs/dbraw/zinc/38/40/30/861384030.db2.gz RSTUKRUKJAQKIR-GOSISDBHSA-N 0 0 381.520 3.903 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(S(=O)(=O)C(C)C)cc1 ZINC000107930748 843262989 /nfs/dbraw/zinc/26/29/89/843262989.db2.gz ORZVWXANGLZGJZ-UHFFFAOYSA-N 0 0 388.533 3.597 20 10 GHCDRN Cc1nc2ccccc2n1CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000731015786 861408243 /nfs/dbraw/zinc/40/82/43/861408243.db2.gz GQPQIBKKVSQWCS-UHFFFAOYSA-N 0 0 376.504 3.897 20 10 GHCDRN CC[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000128667398 843524260 /nfs/dbraw/zinc/52/42/60/843524260.db2.gz FGUJTLXTUXLZOD-WBVHZDCISA-N 0 0 377.504 3.555 20 10 GHCDRN Cc1cc(C(=O)CN2CCC[C@@H](c3nc(C)no3)C2)c(C)n1-c1cccc(F)c1 ZINC000728914682 843876900 /nfs/dbraw/zinc/87/69/00/843876900.db2.gz SVBSASYWMTTWFA-QGZVFWFLSA-N 0 0 396.466 3.987 20 10 GHCDRN COc1ccc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c(OC)n1 ZINC000731106896 861469680 /nfs/dbraw/zinc/46/96/80/861469680.db2.gz BGQGBCZTPSEQFA-UHFFFAOYSA-N 0 0 384.480 3.657 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)Nc3ccc(-n4ccnn4)cc3)cc2)CC1 ZINC000731108974 861470918 /nfs/dbraw/zinc/47/09/18/861470918.db2.gz WBDYVWKAJHTCIH-UHFFFAOYSA-N 0 0 390.491 3.825 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)COc2ccc(Oc3ccccn3)cc2)c1 ZINC000728978678 844650055 /nfs/dbraw/zinc/65/00/55/844650055.db2.gz SLWUAWCRNALXGS-OAHLLOKOSA-N 0 0 394.427 3.844 20 10 GHCDRN Cc1cc(C)c2c(N)c(C(=O)OCc3c(F)cccc3[N+](=O)[O-])sc2n1 ZINC000728987429 844658773 /nfs/dbraw/zinc/65/87/73/844658773.db2.gz FXFACCAYBNPRQP-UHFFFAOYSA-N 0 0 375.381 3.900 20 10 GHCDRN COC(=O)c1cc2cc(NC(=O)N[C@@H](C)c3cc(OC)ccc3O)ccc2o1 ZINC000729037233 844695066 /nfs/dbraw/zinc/69/50/66/844695066.db2.gz QVTYCFZPFUCBLW-NSHDSACASA-N 0 0 384.388 3.816 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=S)NCCCN(C)c1ccccc1 ZINC000726448604 844766374 /nfs/dbraw/zinc/76/63/74/844766374.db2.gz HRFANUYGFVLXQG-UHFFFAOYSA-N 0 0 384.593 3.976 20 10 GHCDRN C[C@H](CN1CCCC1=O)NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000255420451 844766782 /nfs/dbraw/zinc/76/67/82/844766782.db2.gz PZBGMWNHEAIOMP-MRXNPFEDSA-N 0 0 393.491 3.909 20 10 GHCDRN COc1ccccc1OCCCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000729224543 844791210 /nfs/dbraw/zinc/79/12/10/844791210.db2.gz WLWRNHCKIPUENB-UHFFFAOYSA-N 0 0 383.492 3.564 20 10 GHCDRN CN1CCCc2cc(CNC(=O)c3c(F)cccc3Br)ccc21 ZINC000176270212 844853704 /nfs/dbraw/zinc/85/37/04/844853704.db2.gz NPZOEUNFUDWFNX-UHFFFAOYSA-N 0 0 377.257 3.901 20 10 GHCDRN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1cn(-c2ccccc2)nn1 ZINC000150902156 845076950 /nfs/dbraw/zinc/07/69/50/845076950.db2.gz WPZTTYRNISUORJ-ZWKOTPCHSA-N 0 0 377.492 3.516 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1F ZINC000121265588 845311637 /nfs/dbraw/zinc/31/16/37/845311637.db2.gz ICMIWZGIRGJNLL-UHFFFAOYSA-N 0 0 386.427 3.674 20 10 GHCDRN CCN(CC)c1ccc(C[NH2+]C2CCN(c3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC000277235313 845362507 /nfs/dbraw/zinc/36/25/07/845362507.db2.gz IVMNMXMDPXOXEN-UHFFFAOYSA-N 0 0 381.520 3.990 20 10 GHCDRN CC(C)(C)[C@H]1C[C@H](NC(=O)NCc2cccc(Br)c2O)CCO1 ZINC000277319766 845702673 /nfs/dbraw/zinc/70/26/73/845702673.db2.gz DJROHTXBXHVZEP-TZMCWYRMSA-N 0 0 385.302 3.548 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccc(CC(=O)OC)cc2)cc1F ZINC000731399221 861599810 /nfs/dbraw/zinc/59/98/10/861599810.db2.gz RSPSYGZYNZOARM-UHFFFAOYSA-N 0 0 387.455 3.709 20 10 GHCDRN Cc1ccc2cc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)ccc2n1 ZINC000157230543 845899793 /nfs/dbraw/zinc/89/97/93/845899793.db2.gz KWSIVVOWXIPLPP-UHFFFAOYSA-N 0 0 375.472 3.652 20 10 GHCDRN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000277409330 846059983 /nfs/dbraw/zinc/05/99/83/846059983.db2.gz SHLVJTXQORPBSH-JOCHJYFZSA-N 0 0 377.488 3.944 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)OCc3cc(C(=O)OC)c(C)o3)ccc21 ZINC000728462796 846062102 /nfs/dbraw/zinc/06/21/02/846062102.db2.gz RYYVIBMDYGKLRO-UHFFFAOYSA-N 0 0 399.443 3.950 20 10 GHCDRN C[C@H]1CN(CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC[S@@](=O)C1 ZINC000277420702 846095040 /nfs/dbraw/zinc/09/50/40/846095040.db2.gz KCICKHYXALTRKT-OMTMNJFNSA-N 0 0 384.505 3.741 20 10 GHCDRN COc1ccc(/C=C\C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1O ZINC000588504458 846380188 /nfs/dbraw/zinc/38/01/88/846380188.db2.gz LEQHFGODMAIXBR-LUAWRHEFSA-N 0 0 379.412 3.942 20 10 GHCDRN COC(=O)c1ccc(CCC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000731575232 861724879 /nfs/dbraw/zinc/72/48/79/861724879.db2.gz MKLFBDGPWAUDMM-UHFFFAOYSA-N 0 0 380.488 3.663 20 10 GHCDRN Cc1cc(Br)cc(CN(C)Cc2nccn2CC(F)(F)F)c1O ZINC000271740243 846907846 /nfs/dbraw/zinc/90/78/46/846907846.db2.gz QHFSFEXMHUJRBX-UHFFFAOYSA-N 0 0 392.219 3.854 20 10 GHCDRN Cc1ccc([C@H](C)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)c(O)c1C ZINC000273483329 847352440 /nfs/dbraw/zinc/35/24/40/847352440.db2.gz MPDFDGMFMFFQQY-JKSUJKDBSA-N 0 0 379.464 3.973 20 10 GHCDRN Cc1nc(C2CC2)oc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000273487493 847353011 /nfs/dbraw/zinc/35/30/11/847353011.db2.gz LSKSGWBWDPDILL-BETUJISGSA-N 0 0 387.455 3.543 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000273489665 847353974 /nfs/dbraw/zinc/35/39/74/847353974.db2.gz KGNDBWKXDNEYOM-PZJWPPBQSA-N 0 0 385.483 3.953 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccnc(-n2cccn2)c1 ZINC000159020133 847442025 /nfs/dbraw/zinc/44/20/25/847442025.db2.gz CRGQXJFHHKRBMM-UHFFFAOYSA-N 0 0 375.476 3.530 20 10 GHCDRN Cc1csc([C@H](NC(=O)NCc2cccc(Br)c2O)C2CC2)n1 ZINC000277688630 847557183 /nfs/dbraw/zinc/55/71/83/847557183.db2.gz GLTOYHLKGGPKAN-CYBMUJFWSA-N 0 0 396.310 3.870 20 10 GHCDRN O=C1/C(=C\c2cc(F)c(F)c(F)c2)SC(=S)N1CCc1cccnc1 ZINC000171194592 861819566 /nfs/dbraw/zinc/81/95/66/861819566.db2.gz DWPMESLAPHXAAN-RIYZIHGNSA-N 0 0 380.416 3.943 20 10 GHCDRN COc1cccc(OC(F)(F)F)c1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000611658126 847813957 /nfs/dbraw/zinc/81/39/57/847813957.db2.gz QMTVNEUVRWLGHW-UHFFFAOYSA-N 0 0 396.365 3.699 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(C(=O)c3ccsc3)CC2)cc1 ZINC000117684196 848138537 /nfs/dbraw/zinc/13/85/37/848138537.db2.gz KAGQNZFFIISWMW-UHFFFAOYSA-N 0 0 393.512 3.754 20 10 GHCDRN CCO[C@H]1C[C@@]2(NC(=O)N(Cc3ccc(N4CCC(C)CC4)cc3)C2=O)C1(C)C ZINC000277859769 848245585 /nfs/dbraw/zinc/24/55/85/848245585.db2.gz OAUBEBQFGHNCSG-CVDCTZTESA-N 0 0 399.535 3.549 20 10 GHCDRN O=C(Cc1ccc(-n2cccc2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000731855977 861910945 /nfs/dbraw/zinc/91/09/45/861910945.db2.gz HVAHFRGONBLATA-JOCHJYFZSA-N 0 0 390.483 3.933 20 10 GHCDRN O=C(c1cc(-c2ccccc2)n[nH]1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000731856874 861911896 /nfs/dbraw/zinc/91/18/96/861911896.db2.gz UZSVIADAKJPLSC-SFHVURJKSA-N 0 0 377.444 3.604 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3cc(F)cc4cccnc43)CC2)cc1 ZINC000161461161 848743906 /nfs/dbraw/zinc/74/39/06/848743906.db2.gz MIASRJKWSGKULR-UHFFFAOYSA-N 0 0 379.435 3.735 20 10 GHCDRN CN1CCCc2cc([C@@H]3Nc4ccccc4C(=O)N3C[C@@H]3CCCO3)ccc21 ZINC000052118385 849147230 /nfs/dbraw/zinc/14/72/30/849147230.db2.gz JDLLBJJNZCSARP-PGRDOPGGSA-N 0 0 377.488 3.815 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCNC(=O)c2ccc(C)cc2)cc1 ZINC000731993845 862016863 /nfs/dbraw/zinc/01/68/63/862016863.db2.gz ITSILUPCBCYEAH-UHFFFAOYSA-N 0 0 375.472 3.562 20 10 GHCDRN CN1CCCc2cc(CNC(=O)c3[nH]nc4ccc(Br)cc43)ccc21 ZINC000732063831 862051567 /nfs/dbraw/zinc/05/15/67/862051567.db2.gz JBUIBOOXWFDBLV-UHFFFAOYSA-N 0 0 399.292 3.638 20 10 GHCDRN C[C@@H](CCc1ccccc1)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000017116347 849809777 /nfs/dbraw/zinc/80/97/77/849809777.db2.gz PMZQHXGUMUGUJK-IBGZPJMESA-N 0 0 381.520 3.686 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)N[C@H](C)Cc3ccccc3F)CC2)cc1 ZINC000054618631 850213748 /nfs/dbraw/zinc/21/37/48/850213748.db2.gz HLAMHIPWYBZFLE-QGZVFWFLSA-N 0 0 385.483 3.687 20 10 GHCDRN CC(C)Oc1nc(N2CC=C(c3c[nH]c4ncccc34)CC2)ccc1[N+](=O)[O-] ZINC000515071878 850664959 /nfs/dbraw/zinc/66/49/59/850664959.db2.gz ISDWYGJWNYPPPM-UHFFFAOYSA-N 0 0 379.420 3.947 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc2c(c1)CCCO2 ZINC000171386248 862153987 /nfs/dbraw/zinc/15/39/87/862153987.db2.gz LEJPHJMJEMENQZ-UHFFFAOYSA-N 0 0 383.517 3.887 20 10 GHCDRN C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1nc2ccccc2[nH]1 ZINC000043831294 850668080 /nfs/dbraw/zinc/66/80/80/850668080.db2.gz IQDFOYIWVCMHLK-OAHLLOKOSA-N 0 0 395.532 3.677 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)CSCc3ccco3)cc2F)C[C@H](C)O1 ZINC000126424120 850869634 /nfs/dbraw/zinc/86/96/34/850869634.db2.gz OMNLKRUUVKUHSH-GASCZTMLSA-N 0 0 392.496 3.582 20 10 GHCDRN Cc1cc(Cl)c(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cc1C ZINC000894595366 851771596 /nfs/dbraw/zinc/77/15/96/851771596.db2.gz OOWYIEVHIPGWKE-UHFFFAOYSA-N 0 0 399.922 3.589 20 10 GHCDRN Cc1cc(CCNC(=O)Nc2ccc(C(N)=O)c(C)c2)c(C)n1-c1ccccc1 ZINC000732432936 862289349 /nfs/dbraw/zinc/28/93/49/862289349.db2.gz AHRNZJPTGZLRNT-UHFFFAOYSA-N 0 0 390.487 3.866 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)Nc2ccc(OC)nc2C)CCCC1 ZINC001127050428 851992217 /nfs/dbraw/zinc/99/22/17/851992217.db2.gz XYXLAZPHBIYABB-UHFFFAOYSA-N 0 0 379.460 3.879 20 10 GHCDRN COC(=O)c1ccc(OC)c(CN(Cc2ccco2)Cc2ccccc2O)c1 ZINC001167982565 852094412 /nfs/dbraw/zinc/09/44/12/852094412.db2.gz DWUVEJLIUASTRZ-UHFFFAOYSA-N 0 0 381.428 3.983 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)NCc2cccc(NC(=O)C3CCC3)c2)cc1 ZINC000028990645 852381517 /nfs/dbraw/zinc/38/15/17/852381517.db2.gz FQPDJKSULGAMNI-UHFFFAOYSA-N 0 0 394.519 3.833 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](C)C(=O)Nc2ccccc2)c(C)n1-c1ccc(F)cc1 ZINC000732556667 862355278 /nfs/dbraw/zinc/35/52/78/862355278.db2.gz VPFJQFQFHVDAJI-HNNXBMFYSA-N 0 0 379.435 3.990 20 10 GHCDRN Cc1c(C(=O)NCc2ccc(N(C)C)c(F)c2)cnn1-c1ccccc1Cl ZINC000732638597 862398064 /nfs/dbraw/zinc/39/80/64/862398064.db2.gz YFGQTUPFKFGMCP-UHFFFAOYSA-N 0 0 386.858 3.969 20 10 GHCDRN CNC(=O)Cc1ccc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 ZINC000029358950 853022667 /nfs/dbraw/zinc/02/26/67/853022667.db2.gz DPEAIFSWTYYPGF-UHFFFAOYSA-N 0 0 379.435 3.774 20 10 GHCDRN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cc(C)n(-c3cccc(C)c3)c1C)CC2 ZINC000151399063 853390763 /nfs/dbraw/zinc/39/07/63/853390763.db2.gz BHOTZLBUJUYHKS-FCHUYYIVSA-N 0 0 396.531 3.795 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@H]1c1cccc(F)c1 ZINC000054786838 853533329 /nfs/dbraw/zinc/53/33/29/853533329.db2.gz ABQHFBWHPBTLHN-NRFANRHFSA-N 0 0 383.467 3.709 20 10 GHCDRN Cc1cc(C(=O)N(CC(N)=O)Cc2ccccc2)c(C)n1-c1ccccc1C ZINC000732769784 862484840 /nfs/dbraw/zinc/48/48/40/862484840.db2.gz MNNXKIKYFRQLHS-UHFFFAOYSA-N 0 0 375.472 3.530 20 10 GHCDRN COc1cccc(N(CC(C)C)S(=O)(=O)c2cccc3nsnc32)c1 ZINC000520148214 853883847 /nfs/dbraw/zinc/88/38/47/853883847.db2.gz RWHRKGGJICASFK-UHFFFAOYSA-N 0 0 377.491 3.551 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)CCC(=O)N2CCc3sccc3C2)cc1 ZINC000055446561 853917733 /nfs/dbraw/zinc/91/77/33/853917733.db2.gz ZOGNAVJIHBTNQE-UHFFFAOYSA-N 0 0 399.560 3.576 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000571793561 854157187 /nfs/dbraw/zinc/15/71/87/854157187.db2.gz UKYWDSBIYIITKL-DNVCBOLYSA-N 0 0 393.487 3.696 20 10 GHCDRN Cc1cc(C(=O)O[C@@H]2CCN(c3ccccc3F)C2=O)c(C)n1-c1ccccn1 ZINC000732842531 862539187 /nfs/dbraw/zinc/53/91/87/862539187.db2.gz IVCFEAKICZNYIW-LJQANCHMSA-N 0 0 393.418 3.591 20 10 GHCDRN C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(Br)cc1)c1ccc(F)cc1[O-] ZINC000760034209 855005748 /nfs/dbraw/zinc/00/57/48/855005748.db2.gz LTRVINRUTIPLAN-TZMCWYRMSA-N 0 0 382.273 3.796 20 10 GHCDRN COc1ccc(N[C@@H](C)c2cc3c(cc2O)CCCC3)cc1NS(C)(=O)=O ZINC000186405196 855025151 /nfs/dbraw/zinc/02/51/51/855025151.db2.gz VURYVOSKLHFXDM-ZDUSSCGKSA-N 0 0 390.505 3.824 20 10 GHCDRN C/C(=C\C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1ccccc1OC(F)F ZINC000186405405 855025170 /nfs/dbraw/zinc/02/51/70/855025170.db2.gz BIVLMDPBYOBNFC-CNELAYHGSA-N 0 0 377.387 3.850 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)NC/C=C/c3ccccc3)cc2F)C[C@H](C)O1 ZINC000732993253 862644808 /nfs/dbraw/zinc/64/48/08/862644808.db2.gz DFIIKJDTCYJDEG-ULJNDFNZSA-N 0 0 397.494 3.952 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)NC/C=C\c3ccccc3)cc2F)C[C@@H](C)O1 ZINC000732993252 862645004 /nfs/dbraw/zinc/64/50/04/862645004.db2.gz DFIIKJDTCYJDEG-RPPGEJNMSA-N 0 0 397.494 3.952 20 10 GHCDRN COc1cccc(C[C@H](C)NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000732997138 862647354 /nfs/dbraw/zinc/64/73/54/862647354.db2.gz UCGPBAYXWOUQSN-ROUUACIJSA-N 0 0 397.519 3.523 20 10 GHCDRN Cc1cccc(-c2cncc(C(=O)NCc3ccc(N4CCOCC4)cc3)c2)c1 ZINC000157189803 855448145 /nfs/dbraw/zinc/44/81/45/855448145.db2.gz WXRDHQFSUREEIL-UHFFFAOYSA-N 0 0 387.483 3.824 20 10 GHCDRN C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)NCc1cccc(Cl)c1O ZINC000895073774 855465229 /nfs/dbraw/zinc/46/52/29/855465229.db2.gz MBGDTKFXHLNOKM-GFCCVEGCSA-N 0 0 385.892 3.538 20 10 GHCDRN C[C@@H]([NH2+]C[C@H](CO)Cc1cccc(Br)c1)c1ccc(F)cc1[O-] ZINC000760041208 855772260 /nfs/dbraw/zinc/77/22/60/855772260.db2.gz NXWJNLPIIMXKHC-TZMCWYRMSA-N 0 0 382.273 3.796 20 10 GHCDRN CC(C)n1cc2c(n1)[C@@H](NC(=O)NCCCSc1nccs1)CCC2 ZINC000765888136 855907262 /nfs/dbraw/zinc/90/72/62/855907262.db2.gz CGXXVEFOHWDCPD-AWEZNQCLSA-N 0 0 379.555 3.780 20 10 GHCDRN Cc1cccc2nc(CN[C@@H](C)c3ccc(N4CCOCC4)cc3Cl)cn21 ZINC000765901893 855927855 /nfs/dbraw/zinc/92/78/55/855927855.db2.gz YFNKQHFJSPKZHP-INIZCTEOSA-N 0 0 384.911 3.984 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)C(=O)Nc1cccc2ccccc21 ZINC000765904762 856029351 /nfs/dbraw/zinc/02/93/51/856029351.db2.gz UXHNQFQAKYYPNO-UHFFFAOYSA-N 0 0 399.244 3.563 20 10 GHCDRN O=C1/C(=C\c2nccc3c2CCCC3)SC(=S)N1CCc1cccnc1 ZINC000905001656 856111823 /nfs/dbraw/zinc/11/18/23/856111823.db2.gz JDNFYWXTDKUYDC-LDADJPATSA-N 0 0 381.526 3.799 20 10 GHCDRN COC(=O)[C@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1ccccc1F ZINC001127137987 856218535 /nfs/dbraw/zinc/21/85/35/856218535.db2.gz WFPUVCREUMYQGI-HXUWFJFHSA-N 0 0 380.419 3.877 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NCc1cccc(C(C)C)c1 ZINC000573474275 856247600 /nfs/dbraw/zinc/24/76/00/856247600.db2.gz FPWFWGKRDQCSOF-UHFFFAOYSA-N 0 0 377.488 3.543 20 10 GHCDRN Cc1cc2c(cc1C)[C@H](C(=O)NCc1cccc(Br)c1O)CO2 ZINC000765757002 856333590 /nfs/dbraw/zinc/33/35/90/856333590.db2.gz PJAPTLMKFNXKKA-CQSZACIVSA-N 0 0 376.250 3.564 20 10 GHCDRN Oc1ccc2ccncc2c1CN1CCC[C@H]1c1ncc(Br)cn1 ZINC000905734457 856521858 /nfs/dbraw/zinc/52/18/58/856521858.db2.gz FEFBUMNMNKOEOC-INIZCTEOSA-N 0 0 385.265 3.830 20 10 GHCDRN CS[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 ZINC000172402389 856668648 /nfs/dbraw/zinc/66/86/48/856668648.db2.gz KUEIDNQHZSTKCH-HXUWFJFHSA-N 0 0 388.508 3.507 20 10 GHCDRN CCOC(=O)CC[C@H](C)NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000760956570 856727616 /nfs/dbraw/zinc/72/76/16/856727616.db2.gz DFJJMYIZDUBESJ-HNNXBMFYSA-N 0 0 396.447 3.889 20 10 GHCDRN O=C(CCOc1ccccc1Cl)NCc1ccc(N2CCSCC2)cc1 ZINC000058455729 856821812 /nfs/dbraw/zinc/82/18/12/856821812.db2.gz YTNXGLVDAHXIHM-UHFFFAOYSA-N 0 0 390.936 3.979 20 10 GHCDRN CO[C@@](C)(C[NH2+]Cc1cccc(Br)c1[O-])COCc1ccccc1 ZINC000702785314 856983777 /nfs/dbraw/zinc/98/37/77/856983777.db2.gz UHINWKDDMNPNEH-IBGZPJMESA-N 0 0 394.309 3.866 20 10 GHCDRN CO[C@H](CNC(=O)NCc1ccc(N(C)C2CCCCC2)cc1)C(F)(F)F ZINC000733345216 862860811 /nfs/dbraw/zinc/86/08/11/862860811.db2.gz LXYRXLDQDYTRGN-QGZVFWFLSA-N 0 0 387.446 3.832 20 10 GHCDRN CN1CCCc2cc(CNc3ccc4nnc(-c5ccccc5F)n4n3)ccc21 ZINC000058555514 857033250 /nfs/dbraw/zinc/03/32/50/857033250.db2.gz NLDVETWDAAVXEP-UHFFFAOYSA-N 0 0 388.450 3.925 20 10 GHCDRN C[C@@H]([NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000281177409 862873636 /nfs/dbraw/zinc/87/36/36/862873636.db2.gz QIKAGCRCKROSRL-RNCFNFMXSA-N 0 0 377.309 3.953 20 10 GHCDRN CN(C)[C@H](C(=O)NCc1cccc(Br)c1O)c1cccc(Cl)c1 ZINC000765766529 857139819 /nfs/dbraw/zinc/13/98/19/857139819.db2.gz YMTPLZKWAFHKHA-HNNXBMFYSA-N 0 0 397.700 3.727 20 10 GHCDRN CCCNC(=O)c1cccc(NC(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000058622681 857176546 /nfs/dbraw/zinc/17/65/46/857176546.db2.gz DTBCSASOFDZLEA-UHFFFAOYSA-N 0 0 380.492 3.531 20 10 GHCDRN CN(C)c1ccc(CNC(=O)Nc2nnc(-c3ccsc3)s2)cc1F ZINC000058636310 857197428 /nfs/dbraw/zinc/19/74/28/857197428.db2.gz HUHLXOLXKHYACM-UHFFFAOYSA-N 0 0 377.470 3.793 20 10 GHCDRN CCn1cc(-c2n[nH]cc2C(=O)N2CC3(CCCC3)c3c2cccc3F)cn1 ZINC000330325565 862907305 /nfs/dbraw/zinc/90/73/05/862907305.db2.gz URARLEDBOZVCOV-UHFFFAOYSA-N 0 0 379.439 3.904 20 10 GHCDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCC(=O)c1cnn(C)c1 ZINC000281262775 862923566 /nfs/dbraw/zinc/92/35/66/862923566.db2.gz QTZZOBKCBYHVPO-KRWDZBQOSA-N 0 0 391.471 3.879 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)C(C)(C)c1ccccc1 ZINC000804120426 857780260 /nfs/dbraw/zinc/78/02/60/857780260.db2.gz NNCRAPSIXBIUHB-QGZVFWFLSA-N 0 0 382.504 3.613 20 10 GHCDRN COc1c(C)cnc(CN(C)C(=O)c2cc(C)n(-c3ccccn3)c2C)c1C ZINC000058957484 857822149 /nfs/dbraw/zinc/82/21/49/857822149.db2.gz RIQUYURQRPBMAY-UHFFFAOYSA-N 0 0 378.476 3.782 20 10 GHCDRN CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000804132964 857832901 /nfs/dbraw/zinc/83/29/01/857832901.db2.gz MIEVJKFXOXINNY-NRFANRHFSA-N 0 0 395.547 3.627 20 10 GHCDRN Cc1cc(C(=O)N(C)Cc2nc(-c3cccs3)no2)c(C)n1-c1ccccn1 ZINC000804138840 857856706 /nfs/dbraw/zinc/85/67/06/857856706.db2.gz DWRRMXKQSYDXAS-UHFFFAOYSA-N 0 0 393.472 3.873 20 10 GHCDRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000804175322 857952888 /nfs/dbraw/zinc/95/28/88/857952888.db2.gz RYEFTQKKZIYDPC-WEVVVXLNSA-N 0 0 381.350 3.711 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3Cc4cccc(O)c4C3)c2C)cc1 ZINC000760607260 857980448 /nfs/dbraw/zinc/98/04/48/857980448.db2.gz IFQVWXVRLZSNEP-QGZVFWFLSA-N 0 0 376.456 3.706 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])n2C)c(C)n1-c1cccc(F)c1 ZINC000761059841 858112487 /nfs/dbraw/zinc/11/24/87/858112487.db2.gz BWPMFYCJGPEPDS-UHFFFAOYSA-N 0 0 399.378 3.520 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCNCc4ccccc43)ccc21 ZINC000521637508 858184211 /nfs/dbraw/zinc/18/42/11/858184211.db2.gz UJORIGJCCAWPTF-UHFFFAOYSA-N 0 0 377.488 3.655 20 10 GHCDRN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000765973349 858318782 /nfs/dbraw/zinc/31/87/82/858318782.db2.gz JMQMZVQRWBHZJB-MJGOQNOKSA-N 0 0 393.491 3.813 20 10 GHCDRN C[C@@H](c1ccccc1)N1CC(=O)N(Cc2ccc(N3CCSCC3)cc2)C1=O ZINC000761099211 858432308 /nfs/dbraw/zinc/43/23/08/858432308.db2.gz OFWMFUBNNXIWNX-KRWDZBQOSA-N 0 0 395.528 3.765 20 10 GHCDRN CCc1cc(=O)[nH]c(-c2ccc(NCc3ccc(N(CC)CC)cc3)nc2)n1 ZINC000171944897 863037016 /nfs/dbraw/zinc/03/70/16/863037016.db2.gz HUJRIZQJHRHSDB-UHFFFAOYSA-N 0 0 377.492 3.853 20 10 GHCDRN CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000729534975 858611641 /nfs/dbraw/zinc/61/16/41/858611641.db2.gz GVWQPRMOQYTDOU-RBZFPXEDSA-N 0 0 380.485 3.662 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCCc3cccs3)cc2F)C[C@H](C)O1 ZINC000059852934 858711403 /nfs/dbraw/zinc/71/14/03/858711403.db2.gz WCXFCXYLFNFFQV-GASCZTMLSA-N 0 0 391.512 3.543 20 10 GHCDRN Cc1nn(-c2ccccc2)cc1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000183333447 858722854 /nfs/dbraw/zinc/72/28/54/858722854.db2.gz QJMGFBMCGURPNL-UHFFFAOYSA-N 0 0 377.448 3.678 20 10 GHCDRN COc1ccccc1-n1cnc2cc(NCCc3cc(O)c(O)cc3O)ccc21 ZINC001168018312 858737149 /nfs/dbraw/zinc/73/71/49/858737149.db2.gz ZHGNESRZLXELPU-UHFFFAOYSA-N 0 0 391.427 3.806 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)cc1 ZINC000029161810 858738501 /nfs/dbraw/zinc/73/85/01/858738501.db2.gz COXGVDADWGKHJJ-UHFFFAOYSA-N 0 0 383.473 3.718 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CN3C(=O)N[C@H](CC4CC4)C3=O)cc2Cl)C1 ZINC000804188641 858744912 /nfs/dbraw/zinc/74/49/12/858744912.db2.gz PDCWLUOKPMUZGJ-SUMWQHHRSA-N 0 0 375.900 3.797 20 10 GHCDRN Cc1nc2sc3c(c2c(NCC(=O)c2ccc(O)c(O)c2)n1)CC[C@@H](C)C3 ZINC001170316454 881346940 /nfs/dbraw/zinc/34/69/40/881346940.db2.gz RWGMQICCDCHEPK-SNVBAGLBSA-N 0 0 383.473 3.831 20 10 GHCDRN CN(c1ccc(CN2C(=O)N[C@H](c3ccc(O)cc3)C2=O)cc1)C1CCCCC1 ZINC000761178143 858906088 /nfs/dbraw/zinc/90/60/88/858906088.db2.gz KEIRALDCTLHIKY-OAQYLSRUSA-N 0 0 393.487 3.954 20 10 GHCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)O[C@H](c1ccccn1)C(F)(F)F ZINC000160507001 858967036 /nfs/dbraw/zinc/96/70/36/858967036.db2.gz IGJAJQWPHWUBHL-MBNRZODZSA-N 0 0 392.377 3.778 20 10 GHCDRN COc1ccc(N2CCN(C(=O)CSc3nccc4ccccc43)CC2)cc1 ZINC000764405127 859429656 /nfs/dbraw/zinc/42/96/56/859429656.db2.gz SMLYZILRXXOHNC-UHFFFAOYSA-N 0 0 393.512 3.684 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](CCO)C2CCOCC2)c(C)n1-c1cccc(Cl)c1 ZINC000764413928 859443184 /nfs/dbraw/zinc/44/31/84/859443184.db2.gz WKDFAMKNNZMIKS-FQEVSTJZSA-N 0 0 390.911 3.655 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3ncsc3C(F)(F)F)CC2)cc1 ZINC000764473968 859460473 /nfs/dbraw/zinc/46/04/73/859460473.db2.gz XRANIZHEVGWYGX-UHFFFAOYSA-N 0 0 385.411 3.569 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)N[C@@H]1COc2ccc(Cl)cc21 ZINC000764798425 859612151 /nfs/dbraw/zinc/61/21/51/859612151.db2.gz RXOFVKRUZRZSGX-CYBMUJFWSA-N 0 0 397.656 3.741 20 10 GHCDRN COCCC1(CNC(=O)NCc2cccc(Br)c2O)CCCC1 ZINC000764798402 859612997 /nfs/dbraw/zinc/61/29/97/859612997.db2.gz RLURRXKFVPOQOM-UHFFFAOYSA-N 0 0 385.302 3.551 20 10 GHCDRN C[C@H](NC(=O)NCc1cccc(Br)c1O)c1ccc(F)cc1F ZINC000764789474 859619734 /nfs/dbraw/zinc/61/97/34/859619734.db2.gz FSKKVBPNYHSWLO-VIFPVBQESA-N 0 0 385.208 3.993 20 10 GHCDRN C[C@@H](NC(=O)CCc1cncc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000765002235 859730922 /nfs/dbraw/zinc/73/09/22/859730922.db2.gz QQEQVHGPAKLIIY-GOSISDBHSA-N 0 0 389.499 3.881 20 10 GHCDRN CCC(=O)Nc1ccc(NC(=O)NCc2cccc(Br)c2O)cc1 ZINC000765241976 859860937 /nfs/dbraw/zinc/86/09/37/859860937.db2.gz JEJCCQNFQHUOGM-UHFFFAOYSA-N 0 0 392.253 3.825 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Nc3cccc4c3ccn4C)CC2)cc1 ZINC000727032087 859894852 /nfs/dbraw/zinc/89/48/52/859894852.db2.gz ONNIFEHTSFFMRZ-UHFFFAOYSA-N 0 0 378.476 3.931 20 10 GHCDRN CC(C)(C)[C@@H](NC(=O)NCc1cccc(Br)c1O)C(F)(F)F ZINC000765344203 859922046 /nfs/dbraw/zinc/92/20/46/859922046.db2.gz AKRFMUCVCZSMTC-LLVKDONJSA-N 0 0 383.208 3.931 20 10 GHCDRN Cc1ccc(CN(Cc2nnc3n2CCCC3)c2ccc3c(c2)OCCO3)s1 ZINC000727148785 859942469 /nfs/dbraw/zinc/94/24/69/859942469.db2.gz UCTPXTRTUQRALX-UHFFFAOYSA-N 0 0 396.516 3.962 20 10 GHCDRN Cc1cc(C)cc(CN(C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000765464186 859984458 /nfs/dbraw/zinc/98/44/58/859984458.db2.gz GLVUQCJSXGXXDY-UHFFFAOYSA-N 0 0 399.510 3.745 20 10 GHCDRN CCN(C)c1ccccc1CNC(=O)NCc1cccc(Br)c1O ZINC000765493147 860003638 /nfs/dbraw/zinc/00/36/38/860003638.db2.gz KKGZKNONMJKZNQ-UHFFFAOYSA-N 0 0 392.297 3.610 20 10 GHCDRN S=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc2c(c1)OCCCO2 ZINC000727276061 860024219 /nfs/dbraw/zinc/02/42/19/860024219.db2.gz XLCYOYMNWQDZMU-UHFFFAOYSA-N 0 0 383.517 3.935 20 10 GHCDRN C[C@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)NC(=O)C1CCCCC1 ZINC000727303231 860028408 /nfs/dbraw/zinc/02/84/08/860028408.db2.gz PKWOCSVHHAENEP-QGZVFWFLSA-N 0 0 385.552 3.719 20 10 GHCDRN CCN(CC)c1ccc(CN2C(=O)[C@@H](Cc3ccccc3)N(C)C2=O)cc1F ZINC000761255244 860042338 /nfs/dbraw/zinc/04/23/38/860042338.db2.gz WSBVDTORISUKFB-HXUWFJFHSA-N 0 0 383.467 3.677 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000840337276 860123508 /nfs/dbraw/zinc/12/35/08/860123508.db2.gz YNKNLLUNESEFNG-ILZDJORESA-N 0 0 375.557 3.885 20 10 GHCDRN CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000727842993 860294935 /nfs/dbraw/zinc/29/49/35/860294935.db2.gz PEDWJSDAECFDOZ-NQIIRXRSSA-N 0 0 381.520 3.905 20 10 GHCDRN CN(c1ccc(CNC(=O)c2ccc(N3CCCC3)nn2)cc1)C1CCCCC1 ZINC000727853412 860297259 /nfs/dbraw/zinc/29/72/59/860297259.db2.gz UBXGAGMPDLPOHG-UHFFFAOYSA-N 0 0 393.535 3.776 20 10 GHCDRN Cn1cc(/C=C\C(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)cn1 ZINC000729953982 860471104 /nfs/dbraw/zinc/47/11/04/860471104.db2.gz PYYBSAPEAUGERJ-OQFOIZHKSA-N 0 0 379.391 3.535 20 10 GHCDRN Cc1cccc(C)c1OCCC(=O)NCc1cccc(Br)c1O ZINC000765730369 860501385 /nfs/dbraw/zinc/50/13/85/860501385.db2.gz AKDIOPMTBQMJJU-UHFFFAOYSA-N 0 0 378.266 3.857 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)c1c[nH]nc1-c1ccccc1F ZINC000765735871 860538270 /nfs/dbraw/zinc/53/82/70/860538270.db2.gz IRBFDVHFIJXBCL-UHFFFAOYSA-N 0 0 390.212 3.614 20 10 GHCDRN CC[C@H](C(=O)NCc1cccc(Br)c1O)c1ccc(OC)cc1 ZINC000765750505 860563225 /nfs/dbraw/zinc/56/32/25/860563225.db2.gz HLOURDBHFGOCFY-HNNXBMFYSA-N 0 0 378.266 3.973 20 10 GHCDRN CCN(CC)c1ccc(C(=O)NCc2cccc(Br)c2O)cc1 ZINC000765751565 860568156 /nfs/dbraw/zinc/56/81/56/860568156.db2.gz GKTBPXKZSLMGIM-UHFFFAOYSA-N 0 0 377.282 3.931 20 10 GHCDRN COc1ccc(/C=C/C(=O)NCc2cccc(Br)c2O)cc1OC ZINC000765751909 860569533 /nfs/dbraw/zinc/56/95/33/860569533.db2.gz UOEMPAIQSXJXID-VQHVLOKHSA-N 0 0 392.249 3.502 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@@H](CO)[C@H]2CCCOC2)cc1 ZINC000840520973 860679423 /nfs/dbraw/zinc/67/94/23/860679423.db2.gz AHTGIVIRNWAAJU-KKSFZXQISA-N 0 0 396.491 3.685 20 10 GHCDRN CSc1cccc(-n2c(C)cc(C(=O)CSCCS(C)(=O)=O)c2C)c1 ZINC000730467281 861125131 /nfs/dbraw/zinc/12/51/31/861125131.db2.gz WXEIUKFJXQYQRZ-UHFFFAOYSA-N 0 0 397.587 3.777 20 10 GHCDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NCc1ccc(N(C)C)cc1)O[C@H](C)C2 ZINC000730470138 861127528 /nfs/dbraw/zinc/12/75/28/861127528.db2.gz YRAXNHCFGXNTLF-JJXUHFIVSA-N 0 0 394.515 3.895 20 10 GHCDRN C[C@H](NC(=O)N1CCCc2sccc2C1)c1ccc(N2CCOCC2)cc1 ZINC000730580419 861168338 /nfs/dbraw/zinc/16/83/38/861168338.db2.gz QATUJMRPGGFDSW-INIZCTEOSA-N 0 0 385.533 3.804 20 10 GHCDRN COC(=O)CCSCCNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000733783515 863161560 /nfs/dbraw/zinc/16/15/60/863161560.db2.gz KHHSDXKOIIGWEA-UHFFFAOYSA-N 0 0 394.924 3.774 20 10 GHCDRN CCOc1cccc2c1OCC(C(=O)NCCCSc1nccs1)=C2 ZINC000733880296 863227189 /nfs/dbraw/zinc/22/71/89/863227189.db2.gz FFSLAXGOMCHPMM-UHFFFAOYSA-N 0 0 376.503 3.616 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(OC)cc3OC)ccc21 ZINC000482521433 863254483 /nfs/dbraw/zinc/25/44/83/863254483.db2.gz YLRGMBBHJQUWGK-UHFFFAOYSA-N 0 0 396.487 3.852 20 10 GHCDRN CCn1ccnc1[C@H]1CCCCN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000281742706 863356730 /nfs/dbraw/zinc/35/67/30/863356730.db2.gz JLEMYLYTWMKUNR-OGECGYFKSA-N 0 0 394.519 3.507 20 10 GHCDRN CCOc1ccc([C@H](C)NC(=O)NCc2ccc(OC)cc2O)cc1OCC ZINC000792765229 881654512 /nfs/dbraw/zinc/65/45/12/881654512.db2.gz DWZRHTQFKBLPRX-AWEZNQCLSA-N 0 0 388.464 3.759 20 10 GHCDRN Cc1c(NC(=O)N2CCOc3cc(N(C)C)ccc32)cnn1-c1ccccc1F ZINC000183249662 863520721 /nfs/dbraw/zinc/52/07/21/863520721.db2.gz QZETZIRAKALRSN-UHFFFAOYSA-N 0 0 395.438 3.817 20 10 GHCDRN COc1ccc(O)c(CNC(=O)[C@@H](C)Oc2ccc(C)cc2Br)c1 ZINC000114542046 881670574 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COc1ccc(O)c(CNC(=O)N[C@@H](COc2ccccc2F)C(C)(C)C)c1 ZINC000734068251 863964680 /nfs/dbraw/zinc/96/46/80/863964680.db2.gz BHSYCDBXOHSPJN-IBGZPJMESA-N 0 0 390.455 3.833 20 10 GHCDRN CC(C)C1CCC(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC1 ZINC000763653210 864052772 /nfs/dbraw/zinc/05/27/72/864052772.db2.gz DOSTVFSINZOYLP-UHFFFAOYSA-N 0 0 387.568 3.909 20 10 GHCDRN COc1ccc(O)c(CNC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000114591871 881726355 /nfs/dbraw/zinc/72/63/55/881726355.db2.gz WIXUKLGNVPVFIX-GFCCVEGCSA-N 0 0 398.381 3.902 20 10 GHCDRN COc1ccc(O)c(CNC(=O)NCc2ccc(Br)cc2Cl)c1 ZINC000114592354 881726486 /nfs/dbraw/zinc/72/64/86/881726486.db2.gz XPJUIDUSZPKYQW-UHFFFAOYSA-N 0 0 399.672 3.816 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)NCCc2ccc(O)c(OC)c2)cc1 ZINC000734215310 864088936 /nfs/dbraw/zinc/08/89/36/864088936.db2.gz IAWJLWSSWUKNOA-UHFFFAOYSA-N 0 0 385.508 3.631 20 10 GHCDRN Cc1ccnc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000184141903 864114189 /nfs/dbraw/zinc/11/41/89/864114189.db2.gz 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Cc1ncc(/C=C/C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)s1 ZINC000175440507 882579987 /nfs/dbraw/zinc/57/99/87/882579987.db2.gz VUIMRDPQEUOZCU-FDMDGMSGSA-N 0 0 381.501 3.608 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1OCC1CC1 ZINC000101647176 872172789 /nfs/dbraw/zinc/17/27/89/872172789.db2.gz XLOLFFBQRNQEBB-UHFFFAOYSA-N 0 0 394.515 3.614 20 10 GHCDRN Cc1oc2ccccc2c1CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000767045212 872199344 /nfs/dbraw/zinc/19/93/44/872199344.db2.gz GIOFQOXBUFKQAN-UHFFFAOYSA-N 0 0 378.472 3.779 20 10 GHCDRN C[N@H+](CC(=O)Nc1ccccc1Br)Cc1cccc(Cl)c1[O-] ZINC000775643059 872219059 /nfs/dbraw/zinc/21/90/59/872219059.db2.gz LWATVHZGXLSXBP-UHFFFAOYSA-N 0 0 383.673 3.879 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@@H](C)OC[C@H]2CCCO2)c(C)n1-c1ccccc1C ZINC000921094151 882590786 /nfs/dbraw/zinc/59/07/86/882590786.db2.gz AEKOOIDIGGFYQF-RTBURBONSA-N 0 0 399.487 3.713 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCc2c1cccc2Cl ZINC000775646586 872287214 /nfs/dbraw/zinc/28/72/14/872287214.db2.gz 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Cc1cc(Br)cc(CN(C)Cc2nc(-c3cccnc3)no2)c1O ZINC000775694992 872951063 /nfs/dbraw/zinc/95/10/63/872951063.db2.gz CTIHFHPEPQTNSZ-UHFFFAOYSA-N 0 0 389.253 3.540 20 10 GHCDRN CN(C)c1ccc(CN(Cn2ccc(Br)n2)CC(F)(F)F)cc1 ZINC000767973978 872985067 /nfs/dbraw/zinc/98/50/67/872985067.db2.gz RCWHJSYTBMTZKP-UHFFFAOYSA-N 0 0 391.235 3.734 20 10 GHCDRN C[C@H](NC(=O)[C@@]1(C)CCc2ccccc2C1)c1ccc(N2CCOCC2)cc1 ZINC000742582598 873000722 /nfs/dbraw/zinc/00/07/22/873000722.db2.gz ADTMUTOYHHRRCZ-UUOWRZLLSA-N 0 0 378.516 3.896 20 10 GHCDRN CCCn1nccc1NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000174696082 873166434 /nfs/dbraw/zinc/16/64/34/873166434.db2.gz JVWMPFRBGAOTRM-AWEZNQCLSA-N 0 0 393.438 3.685 20 10 GHCDRN CC[C@@H]1Cc2ccccc2CN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000768258421 873196336 /nfs/dbraw/zinc/19/63/36/873196336.db2.gz UDIJRWPJYAFVHP-HXUWFJFHSA-N 0 0 397.494 3.709 20 10 GHCDRN CC[C@@H]1CCCC[C@H]1OCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000768322750 873234369 /nfs/dbraw/zinc/23/43/69/873234369.db2.gz 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C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000775835714 874332178 /nfs/dbraw/zinc/33/21/78/874332178.db2.gz IIDHFJYMEWKSFG-LSDHHAIUSA-N 0 0 377.496 3.675 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C)nn(Cc2ccccn2)c1C ZINC001198590257 874502926 /nfs/dbraw/zinc/50/29/26/874502926.db2.gz PNCPMBUGQQNKIR-UHFFFAOYSA-N 0 0 391.519 3.672 20 10 GHCDRN CC1(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)Cc2ccccc2C1 ZINC000770312096 874591024 /nfs/dbraw/zinc/59/10/24/874591024.db2.gz JYAHHLUXZQUSIX-OAQYLSRUSA-N 0 0 394.515 3.888 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1ccn(C2CCC2)c(=O)c1 ZINC001198765030 874620742 /nfs/dbraw/zinc/62/07/42/874620742.db2.gz LTRHDAMPDUAQQJ-OAQYLSRUSA-N 0 0 380.488 3.949 20 10 GHCDRN Cc1cc(C(=O)N(C)CC(C)(C)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1 ZINC000130164790 874657823 /nfs/dbraw/zinc/65/78/23/874657823.db2.gz MQBMDORQDNQXGL-UHFFFAOYSA-N 0 0 396.940 3.643 20 10 GHCDRN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000770385696 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3.989 20 10 GHCDRN CCOC(=O)COc1ccc(CC[NH2+]Cc2cc(Cl)cc(C)c2O)cc1 ZINC000776220323 875908933 /nfs/dbraw/zinc/90/89/33/875908933.db2.gz UVNNXNCFLUHPLF-UHFFFAOYSA-N 0 0 377.868 3.628 20 10 GHCDRN COCc1cc(NC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)ncn1 ZINC000772387421 875938461 /nfs/dbraw/zinc/93/84/61/875938461.db2.gz IOHLDHMXRNVBCR-UHFFFAOYSA-N 0 0 395.463 3.516 20 10 GHCDRN COC(=O)c1cc(NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cn1C ZINC001202018429 875965530 /nfs/dbraw/zinc/96/55/30/875965530.db2.gz YXDHBXSLXJRLND-UHFFFAOYSA-N 0 0 398.507 3.902 20 10 GHCDRN COc1ccc([C@H](OC)[C@@H](C)NC(=O)NCCCSc2nccs2)cc1 ZINC000772515132 875993512 /nfs/dbraw/zinc/99/35/12/875993512.db2.gz KJVMDOYBHIBQFW-CZUORRHYSA-N 0 0 395.550 3.709 20 10 GHCDRN COc1ccc(F)c(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000151857309 876018149 /nfs/dbraw/zinc/01/81/49/876018149.db2.gz DGUGPXUGMQDSLC-UHFFFAOYSA-N 0 0 375.469 3.709 20 10 GHCDRN CN1C(=O)C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000776252383 876031968 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GHCDRN CC[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000786038788 876423215 /nfs/dbraw/zinc/42/32/15/876423215.db2.gz PFFJXUVLOBBPHX-IFXJQAMLSA-N 0 0 387.911 3.851 20 10 GHCDRN Cc1cc(NC(=O)NCc2ccc3c(c2)CCCN3C)n(-c2cc(C)ccn2)n1 ZINC000786093680 876439160 /nfs/dbraw/zinc/43/91/60/876439160.db2.gz QGJMDROYTLCDQT-UHFFFAOYSA-N 0 0 390.491 3.588 20 10 GHCDRN CC(=O)Nc1ccc(CC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000108296368 876452456 /nfs/dbraw/zinc/45/24/56/876452456.db2.gz MBLHBFZPUNVKAJ-UHFFFAOYSA-N 0 0 379.504 3.740 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000858328704 883030751 /nfs/dbraw/zinc/03/07/51/883030751.db2.gz ADSRXAABCMYFJI-CYBMUJFWSA-N 0 0 385.302 3.562 20 10 GHCDRN Cc1cc(C)n(CCCNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)n1 ZINC000108443741 876470554 /nfs/dbraw/zinc/47/05/54/876470554.db2.gz KSYHIYYPLGEOIE-UHFFFAOYSA-N 0 0 383.540 3.626 20 10 GHCDRN Cc1c([N+](=O)[O-])cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000914438247 883032999 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CC(=O)N[C@@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)c1ccccc1 ZINC000914506207 883900832 /nfs/dbraw/zinc/90/08/32/883900832.db2.gz JDINVUUCKDMGGF-QFIPXVFZSA-N 0 0 381.520 3.757 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000914506774 883905003 /nfs/dbraw/zinc/90/50/03/883905003.db2.gz SGNKCKGMTCKRTL-UHFFFAOYSA-N 0 0 383.517 3.848 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCCC2(CCOCC2)C1 ZINC000859597740 883923825 /nfs/dbraw/zinc/92/38/25/883923825.db2.gz WSCPHRGJOYGJOT-UHFFFAOYSA-N 0 0 380.488 3.939 20 10 GHCDRN CNc1nc(C)cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)n1 ZINC000805623408 883941954 /nfs/dbraw/zinc/94/19/54/883941954.db2.gz ZUZLGAMJVZWKNJ-UHFFFAOYSA-N 0 0 392.459 3.582 20 10 GHCDRN CCNC(=O)c1ccc(C)c(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1 ZINC000918591037 884023116 /nfs/dbraw/zinc/02/31/16/884023116.db2.gz IOBFDOCDLIHYOE-UHFFFAOYSA-N 0 0 376.460 3.800 20 10 GHCDRN CC(C)OC(=O)NCc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000116931969 884040509 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/nfs/dbraw/zinc/59/76/62/885597662.db2.gz CVXAUUQWAFPXPU-RTWAWAEBSA-N 0 0 384.907 3.939 20 10 GHCDRN C[C@H](NC(=O)C(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1)c1ccc(N(C)C)cc1 ZINC000807670424 885597681 /nfs/dbraw/zinc/59/76/81/885597681.db2.gz FFLSDNWETPJUPD-CVAIRZPRSA-N 0 0 397.494 3.521 20 10 GHCDRN CCN(Cc1ccc(Cl)cc1)C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807671332 885621208 /nfs/dbraw/zinc/62/12/08/885621208.db2.gz OEGFENIWXYPRPC-OAHLLOKOSA-N 0 0 387.911 3.632 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1C ZINC000807691216 885639508 /nfs/dbraw/zinc/63/95/08/885639508.db2.gz JCQBTZNPVNZVBN-KKSFZXQISA-N 0 0 380.488 3.571 20 10 GHCDRN Cc1cc(C)n(-c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cn2)n1 ZINC000915066966 885647492 /nfs/dbraw/zinc/64/74/92/885647492.db2.gz DVVMDHULIPBOMI-UHFFFAOYSA-N 0 0 389.503 3.755 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@@H](n3cncn3)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000777217667 885791633 /nfs/dbraw/zinc/79/16/33/885791633.db2.gz RKHGJKNYADHMQB-HXUWFJFHSA-N 0 0 377.492 3.896 20 10 GHCDRN O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000807838434 885803969 /nfs/dbraw/zinc/80/39/69/885803969.db2.gz RKLRYAHIGZNHJH-QGZVFWFLSA-N 0 0 379.287 3.980 20 10 GHCDRN C[C@H]1CCCCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2O)C1 ZINC001184072377 912975661 /nfs/dbraw/zinc/97/56/61/912975661.db2.gz ISCIXQZJWKIAEO-DOTOQJQBSA-N 0 0 376.497 3.997 20 10 GHCDRN Cc1cnn([C@H]2CCN(C(=O)c3ccc(C)c(-n4c(C)cc(C=O)c4C)c3)C2)c1 ZINC000861780998 885855508 /nfs/dbraw/zinc/85/55/08/885855508.db2.gz JKAAYCJSNYPCLS-NRFANRHFSA-N 0 0 390.487 3.807 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ncc(Cl)cc1CC ZINC000861849766 885926984 /nfs/dbraw/zinc/92/69/84/885926984.db2.gz YLPQNHQBIINIHW-UHFFFAOYSA-N 0 0 389.883 3.770 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC(C)(C)[C@H]2c2nccn2C)c1 ZINC000861865697 885936135 /nfs/dbraw/zinc/93/61/35/885936135.db2.gz GMUOMZVUPMGLRE-HXUWFJFHSA-N 0 0 390.487 3.863 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N(C)[C@@H](CO)c2ccccc2)cc1 ZINC000861880072 885945329 /nfs/dbraw/zinc/94/53/29/885945329.db2.gz ZCRVALCGFOEXAP-QHCPKHFHSA-N 0 0 390.483 3.641 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1nn(-c2ccccc2C)c2c1CCC2 ZINC000808095561 886014403 /nfs/dbraw/zinc/01/44/03/886014403.db2.gz JOTMOOKNCJQDHV-UHFFFAOYSA-N 0 0 396.487 3.791 20 10 GHCDRN COc1ccsc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000106022607 886022409 /nfs/dbraw/zinc/02/24/09/886022409.db2.gz NUYJJAFMZMMOSL-UHFFFAOYSA-N 0 0 382.432 3.757 20 10 GHCDRN CC(=O)CCc1ccc(O[C@@H](C)C(=O)NCc2ccc3cccnc3c2O)cc1 ZINC000862027646 886063596 /nfs/dbraw/zinc/06/35/96/886063596.db2.gz AADBELCEKLLDHC-INIZCTEOSA-N 0 0 392.455 3.546 20 10 GHCDRN COCCc1ccc(OCCCC(=O)NCc2ccc3cccnc3c2O)cc1 ZINC000862028241 886065067 /nfs/dbraw/zinc/06/50/67/886065067.db2.gz VFMMAKVRONVPRJ-UHFFFAOYSA-N 0 0 394.471 3.605 20 10 GHCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCO[C@@H](CCF)C1 ZINC000862101089 886108837 /nfs/dbraw/zinc/10/88/37/886108837.db2.gz FFQNYXKNZMPGMZ-SFHVURJKSA-N 0 0 384.411 3.628 20 10 GHCDRN Cc1cc(CNC(=O)C(=O)Nc2sc(C)nc2C)c(C)n1-c1cccc(C)c1 ZINC000862109719 886118019 /nfs/dbraw/zinc/11/80/19/886118019.db2.gz ZVRPTLVTABJQGX-UHFFFAOYSA-N 0 0 396.516 3.731 20 10 GHCDRN COC(=O)[C@H](CC(F)F)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000762403921 886150425 /nfs/dbraw/zinc/15/04/25/886150425.db2.gz KLOSXEGMLZKKQL-HNNXBMFYSA-N 0 0 384.810 3.674 20 10 GHCDRN CN(Cc1cn(C)nc1Br)Cc1ccc(N2CCCCC2)cc1 ZINC000862210144 886209883 /nfs/dbraw/zinc/20/98/83/886209883.db2.gz AXHMCENLQRPVSU-UHFFFAOYSA-N 0 0 377.330 3.805 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)NC[C@H](O)c3ccccc3C)c2C)cc1 ZINC000762438916 886211334 /nfs/dbraw/zinc/21/13/34/886211334.db2.gz WIOZIPUFINAYTP-QFIPXVFZSA-N 0 0 378.472 3.875 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000862225769 886222768 /nfs/dbraw/zinc/22/27/68/886222768.db2.gz GILFQLASECOPIB-NHCUHLMSSA-N 0 0 378.516 3.848 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC(C)(C)[C@@H]2c2cnn(C)c2)c1 ZINC000862248586 886249856 /nfs/dbraw/zinc/24/98/56/886249856.db2.gz NJRRCMBNROTJNM-NRFANRHFSA-N 0 0 390.487 3.863 20 10 GHCDRN COC[C@@H](NC(=O)N[C@@H](C)c1cc(OC)ccc1O)c1cccc(Cl)c1 ZINC000808372590 886286337 /nfs/dbraw/zinc/28/63/37/886286337.db2.gz HWJWEXCLMCVCOQ-YVEFUNNKSA-N 0 0 378.856 3.802 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3nnc(-c4ccccc4)s3)CC2)cc1 ZINC000915319962 886333361 /nfs/dbraw/zinc/33/33/61/886333361.db2.gz BRQOKGRJNGTREC-UHFFFAOYSA-N 0 0 395.488 3.568 20 10 GHCDRN Nc1ccc(NC(=O)Nc2ccc(NC(=O)[C@@H]3CCCC[C@H]3CO)cc2)cc1 ZINC001184158848 913053721 /nfs/dbraw/zinc/05/37/21/913053721.db2.gz FDEUBHGKHNSOFC-IFXJQAMLSA-N 0 0 382.464 3.650 20 10 GHCDRN CCn1nc(C(F)(F)F)c(C(=O)NCc2cc(C)ccc2O)c1C(F)F ZINC000862757629 886585715 /nfs/dbraw/zinc/58/57/15/886585715.db2.gz AGEHBGPZJYDBTN-UHFFFAOYSA-N 0 0 377.313 3.803 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(-c2ccoc2)n[nH]1 ZINC000747516412 886589495 /nfs/dbraw/zinc/58/94/95/886589495.db2.gz LVRHIIYYURTORR-UHFFFAOYSA-N 0 0 390.237 3.800 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H](C)c1ccccc1 ZINC000174882787 886604634 /nfs/dbraw/zinc/60/46/34/886604634.db2.gz VURASKYFJITBST-MOPGFXCFSA-N 0 0 395.547 3.887 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000862842645 886694852 /nfs/dbraw/zinc/69/48/52/886694852.db2.gz GLUIDINMXHLATJ-CRAIPNDOSA-N 0 0 397.519 3.929 20 10 GHCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]C1(CO)CCCCC1 ZINC000762787196 886817481 /nfs/dbraw/zinc/81/74/81/886817481.db2.gz OAFMQFXKAPPIFI-UHFFFAOYSA-N 0 0 393.119 3.702 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)Nc1cccc(C2OCCO2)c1 ZINC000808858791 886839260 /nfs/dbraw/zinc/83/92/60/886839260.db2.gz QZMGLPSGMSYFCC-UHFFFAOYSA-N 0 0 393.237 3.522 20 10 GHCDRN Cc1cn2c(n1)C[C@@H](C(=O)NCc1cc(C)n(-c3cccc(C)c3)c1C)CC2 ZINC000863161121 886897218 /nfs/dbraw/zinc/89/72/18/886897218.db2.gz XRTXJLWEJIWPOY-IBGZPJMESA-N 0 0 376.504 3.786 20 10 GHCDRN CNC(=O)c1cccc(CCC(=O)NCc2cc(C)n(-c3ccccc3)c2C)c1 ZINC000863165677 886901377 /nfs/dbraw/zinc/90/13/77/886901377.db2.gz KMNVEDFGKSXCPN-UHFFFAOYSA-N 0 0 389.499 3.703 20 10 GHCDRN COCc1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000774734007 913093434 /nfs/dbraw/zinc/09/34/34/913093434.db2.gz UWOJYBDUNFXEJB-UHFFFAOYSA-N 0 0 388.533 3.644 20 10 GHCDRN C/C=C\C[C@H]1CCC[N@H+](Cc2cc(C(C)=O)cc(CN3CCOCC3)c2[O-])C1 ZINC000863340247 887044920 /nfs/dbraw/zinc/04/49/20/887044920.db2.gz MCYBSTPTMTZDJS-LLHWWHOWSA-N 0 0 386.536 3.605 20 10 GHCDRN CC(C)OCc1cc(NS(=O)(=O)CCc2c(F)cccc2F)ccc1O ZINC000863411276 887092024 /nfs/dbraw/zinc/09/20/24/887092024.db2.gz WFDOEZPTYRKCGI-UHFFFAOYSA-N 0 0 385.432 3.580 20 10 GHCDRN COC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)cc1C ZINC000863432743 887103277 /nfs/dbraw/zinc/10/32/77/887103277.db2.gz GMFLDHPENCIYAM-UHFFFAOYSA-N 0 0 389.477 3.574 20 10 GHCDRN CCO[C@@H](C)C(=O)OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C ZINC000915499830 887117854 /nfs/dbraw/zinc/11/78/54/887117854.db2.gz RUWRCABOBWFINF-AWEZNQCLSA-N 0 0 395.402 3.846 20 10 GHCDRN O=C(Nc1nccs1)c1ccc(NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000809185822 887142925 /nfs/dbraw/zinc/14/29/25/887142925.db2.gz VAUFLJJVMLPXPB-UHFFFAOYSA-N 0 0 394.500 3.844 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Cc2ccc(-n3cccn3)cc2)cc1 ZINC000915616428 887243166 /nfs/dbraw/zinc/24/31/66/887243166.db2.gz WZSPHYOMHOUHQO-UHFFFAOYSA-N 0 0 376.504 3.920 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000915779081 887432108 /nfs/dbraw/zinc/43/21/08/887432108.db2.gz WPBMXXYWDPUHFP-UHFFFAOYSA-N 0 0 391.393 3.561 20 10 GHCDRN CC(C)CC[C@@H](C)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC000119717248 887452948 /nfs/dbraw/zinc/45/29/48/887452948.db2.gz YQRXQHDCSOTVIX-CYBMUJFWSA-N 0 0 394.427 3.925 20 10 GHCDRN CCn1cc(N2C(=O)/C(=C/c3ncccc3C(F)(F)F)SC2=S)cn1 ZINC000119792580 887518859 /nfs/dbraw/zinc/51/88/59/887518859.db2.gz UHDZDUKDUIYFHS-SDQBBNPISA-N 0 0 384.408 3.723 20 10 GHCDRN O=C([C@@H]1C[C@@H](c2ccccc2)OC1=O)N(Cc1ccco1)Cc1ccccc1O ZINC000809684191 887703078 /nfs/dbraw/zinc/70/30/78/887703078.db2.gz QYUXVWIUEGXOMM-FPOVZHCZSA-N 0 0 391.423 3.818 20 10 GHCDRN CC[C@@H](C)NS(=O)(=O)c1cccc(NCc2cc(Cl)cc(F)c2O)c1 ZINC000809684816 887704769 /nfs/dbraw/zinc/70/47/69/887704769.db2.gz OVZQEDWQTUVZHK-LLVKDONJSA-N 0 0 386.876 3.874 20 10 GHCDRN COC(=O)c1nc([C@@H]2CCCN2Cc2cc(C)cc(OC)c2O)sc1C ZINC000794667419 887712582 /nfs/dbraw/zinc/71/25/82/887712582.db2.gz WGUSPQHOQUKBTO-AWEZNQCLSA-N 0 0 376.478 3.598 20 10 GHCDRN CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2cc(Cl)cc(C)c2O)s1 ZINC000809721210 887745244 /nfs/dbraw/zinc/74/52/44/887745244.db2.gz NWZRYOAUUPDZGT-WDEREUQCSA-N 0 0 382.917 3.521 20 10 GHCDRN Cc1cc(C(=O)O[C@@H]2CCO[C@@H](C3CCOCC3)C2)c(C)n1-c1ccccn1 ZINC000763124003 887762099 /nfs/dbraw/zinc/76/20/99/887762099.db2.gz HHNHFBWSONLCMW-UYAOXDASSA-N 0 0 384.476 3.620 20 10 GHCDRN Cc1noc(C)c1COc1ccc(CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000015134876 887769747 /nfs/dbraw/zinc/76/97/47/887769747.db2.gz UNYSWBZXZPRTAF-UHFFFAOYSA-N 0 0 393.487 3.795 20 10 GHCDRN CN(C)c1cc(F)c(C[NH2+]C[C@@H](Cc2ccccc2Cl)C(=O)[O-])cc1F ZINC000864504242 887808281 /nfs/dbraw/zinc/80/82/81/887808281.db2.gz CPINAKOSXNYSNB-CQSZACIVSA-N 0 0 382.838 3.717 20 10 GHCDRN CN(C)c1cc(F)c(C[NH2+][C@H](CSCCc2ccccc2)C(=O)[O-])cc1F ZINC000864510366 887816576 /nfs/dbraw/zinc/81/65/76/887816576.db2.gz VNIQFZAIDBKYIV-GOSISDBHSA-N 0 0 394.487 3.550 20 10 GHCDRN Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)C(=O)/C=C\c2cnccn2)c1 ZINC000729658234 887871119 /nfs/dbraw/zinc/87/11/19/887871119.db2.gz RWLAJDIFLZXBEU-HJWRWDBZSA-N 0 0 386.455 3.779 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000120142375 887886240 /nfs/dbraw/zinc/88/62/40/887886240.db2.gz VIMYQOBYEUXAHB-VXKWHMMOSA-N 0 0 398.934 3.969 20 10 GHCDRN Cc1cc(NC(=O)NCc2cccc(Br)c2O)c2ccccc2n1 ZINC000809885387 887924324 /nfs/dbraw/zinc/92/43/24/887924324.db2.gz FXSAKWOPBOUAAC-UHFFFAOYSA-N 0 0 386.249 3.755 20 10 GHCDRN C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1Cl ZINC000120264790 888032606 /nfs/dbraw/zinc/03/26/06/888032606.db2.gz ZIWANOJUMISKEX-CQSZACIVSA-N 0 0 391.874 3.876 20 10 GHCDRN Cc1cc(NC(=O)NCc2cc(Br)ccc2O)n(C(C)(C)C)n1 ZINC000794803180 888103829 /nfs/dbraw/zinc/10/38/29/888103829.db2.gz DXWRZYOMVSESII-UHFFFAOYSA-N 0 0 381.274 3.736 20 10 GHCDRN Cc1cc(CNC(=O)[C@H](C)OC[C@H]2CCCCO2)c(C)n1-c1cccc(C)c1 ZINC001132043145 888104133 /nfs/dbraw/zinc/10/41/33/888104133.db2.gz BKRKTKSYNMEHPN-SIKLNZKXSA-N 0 0 384.520 3.993 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H](Cc1cccnc1)C1CCCC1 ZINC000864984177 888116476 /nfs/dbraw/zinc/11/64/76/888116476.db2.gz IXGAMJRLZWSANG-QHCPKHFHSA-N 0 0 393.531 3.584 20 10 GHCDRN C[C@H]1CC2(CCC2)CN1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000763190579 888168136 /nfs/dbraw/zinc/16/81/36/888168136.db2.gz BUMWUBDZRKNOJX-YESZJQIVSA-N 0 0 389.515 3.913 20 10 GHCDRN Cc1cnc(F)c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 ZINC000865117653 888203748 /nfs/dbraw/zinc/20/37/48/888203748.db2.gz QNZQEVRKVMJUCF-UHFFFAOYSA-N 0 0 379.382 3.529 20 10 GHCDRN O=C(CCCc1ccccc1Cl)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000810167683 888227406 /nfs/dbraw/zinc/22/74/06/888227406.db2.gz LTKBSJXVIMXPEU-UHFFFAOYSA-N 0 0 390.886 3.955 20 10 GHCDRN CN1CCCc2cc(CNC(=O)N(CCCO)[C@@H]3CCc4ccccc43)ccc21 ZINC000120428093 888235050 /nfs/dbraw/zinc/23/50/50/888235050.db2.gz GMOMSNFCGOZKRU-HSZRJFAPSA-N 0 0 393.531 3.651 20 10 GHCDRN CC1(C)COc2ccc(C(=O)NCc3ccc(N4CCSCC4)cc3)cc21 ZINC000810161831 888252122 /nfs/dbraw/zinc/25/21/22/888252122.db2.gz RJARBHWUWFBBKZ-UHFFFAOYSA-N 0 0 382.529 3.840 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2COc3ccc(Br)cc32)c1 ZINC000120465594 888274499 /nfs/dbraw/zinc/27/44/99/888274499.db2.gz OQIWINLRNJDOQR-ZUZCIYMTSA-N 0 0 392.249 3.517 20 10 GHCDRN COc1cc(C(=O)N[C@H](C)c2cc(OC)ccc2O)sc1Br ZINC000120469092 888274638 /nfs/dbraw/zinc/27/46/38/888274638.db2.gz JXOJTJFBDLMNRC-MRVPVSSYSA-N 0 0 386.267 3.724 20 10 GHCDRN c1nc2n(n1)[C@H](CSc1ncc(-c3ccccc3)n1C[C@H]1CCCO1)CC2 ZINC000865349146 888309954 /nfs/dbraw/zinc/30/99/54/888309954.db2.gz BPSGCQWKBNLHOW-DLBZAZTESA-N 0 0 381.505 3.600 20 10 GHCDRN COC(=O)c1c(F)ccc(NC(=O)NCCCSc2nccs2)c1C ZINC000810259499 888324447 /nfs/dbraw/zinc/32/44/47/888324447.db2.gz KFOYWEJASPHOSQ-UHFFFAOYSA-N 0 0 383.470 3.681 20 10 GHCDRN CC(C)c1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)no1 ZINC000120605262 888422948 /nfs/dbraw/zinc/42/29/48/888422948.db2.gz DWPDKTQHPKPQKN-UHFFFAOYSA-N 0 0 397.397 3.583 20 10 GHCDRN O=C(COC/C=C\c1ccccc1)NCc1ccc(N2CCSCC2)cc1 ZINC000763271536 888423529 /nfs/dbraw/zinc/42/35/29/888423529.db2.gz JKGKZVYMBNAPFB-DAXSKMNVSA-N 0 0 382.529 3.586 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccnc(NC(=O)C2CC2)c1 ZINC000794852725 888476205 /nfs/dbraw/zinc/47/62/05/888476205.db2.gz RPRSLBURDURIRC-UHFFFAOYSA-N 0 0 392.503 3.693 20 10 GHCDRN Cc1cc(CNC(=O)c2ccc(Cn3ccnn3)cc2)c(C)n1-c1ccccc1 ZINC001132267631 888491577 /nfs/dbraw/zinc/49/15/77/888491577.db2.gz LAIHSFMNHPZJMV-UHFFFAOYSA-N 0 0 385.471 3.664 20 10 GHCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Cc2cc(C)n[nH]2)cc1 ZINC000153800406 888620557 /nfs/dbraw/zinc/62/05/57/888620557.db2.gz ODWILIZJHLWNTG-UHFFFAOYSA-N 0 0 378.476 3.569 20 10 GHCDRN CC1CCN(c2cccc(NC(=O)c3cccc4c3O[C@@H](C)C(=O)N4)c2)CC1 ZINC000153810030 888644152 /nfs/dbraw/zinc/64/41/52/888644152.db2.gz FZVAANWWJJMYOS-HNNXBMFYSA-N 0 0 379.460 3.895 20 10 GHCDRN Cc1cc(CCNC(=O)N(CCO)Cc2ccccc2)c(C)n1-c1ccccc1 ZINC000916221049 888840086 /nfs/dbraw/zinc/84/00/86/888840086.db2.gz LWACLDYWRIDRBU-UHFFFAOYSA-N 0 0 391.515 3.841 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)c1 ZINC000866407458 888860136 /nfs/dbraw/zinc/86/01/36/888860136.db2.gz SREVFUKJFKYBNR-ZBEGNZNMSA-N 0 0 383.366 3.582 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3cc4c(ccnc4Cl)o3)CC2)cc1F ZINC000866459682 888889702 /nfs/dbraw/zinc/88/97/02/888889702.db2.gz MZTZTZIPGCNKMI-UHFFFAOYSA-N 0 0 389.814 3.591 20 10 GHCDRN CC(=O)N1CCN(c2ccc(N[C@@H]3C[C@@H](C)c4c3c(O)ccc4F)cc2)CC1 ZINC000866625902 888975733 /nfs/dbraw/zinc/97/57/33/888975733.db2.gz IMGAGJAGPUOZRS-AUUYWEPGSA-N 0 0 383.467 3.860 20 10 GHCDRN CCc1c(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)[nH]c(C)c1C(C)=O ZINC000153989741 889008075 /nfs/dbraw/zinc/00/80/75/889008075.db2.gz YEGAXFGILCPOOH-KRWDZBQOSA-N 0 0 384.476 3.615 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@H](NC(=O)c2ccc(C)cc2)C(C)C)cc1 ZINC000916503147 889076378 /nfs/dbraw/zinc/07/63/78/889076378.db2.gz UYLMVPJFFWKIJJ-JOCHJYFZSA-N 0 0 395.547 3.912 20 10 GHCDRN COCCc1nc(COC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)no1 ZINC000811093534 889177210 /nfs/dbraw/zinc/17/72/10/889177210.db2.gz DDSFAXDSTCUTMW-UHFFFAOYSA-N 0 0 389.839 3.676 20 10 GHCDRN Cc1ccc(OCCN(C)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000916625624 889180444 /nfs/dbraw/zinc/18/04/44/889180444.db2.gz KBAOVBFYRMDSOM-UHFFFAOYSA-N 0 0 399.560 3.769 20 10 GHCDRN COc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccccc3Cl)CC2)cc1F ZINC000121979670 889268204 /nfs/dbraw/zinc/26/82/04/889268204.db2.gz CCPXYNDUHLCOFG-AWEZNQCLSA-N 0 0 391.874 3.637 20 10 GHCDRN COc1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1F ZINC000763418073 889279238 /nfs/dbraw/zinc/27/92/38/889279238.db2.gz BNRRVLQYLRCHAC-AWEZNQCLSA-N 0 0 394.393 3.835 20 10 GHCDRN COCCOc1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cn1 ZINC000916681164 889311341 /nfs/dbraw/zinc/31/13/41/889311341.db2.gz WMTPINZACQOUDG-UHFFFAOYSA-N 0 0 397.431 3.640 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000868307075 889391962 /nfs/dbraw/zinc/39/19/62/889391962.db2.gz NEBPYZBYQUYOKB-FUNVUKJBSA-N 0 0 380.282 3.556 20 10 GHCDRN CC(C)NC(=O)N1CCc2c(Cl)c(O)c(O)cc2[C@H](c2ccc(O)cc2)C1 ZINC001202525765 889429656 /nfs/dbraw/zinc/42/96/56/889429656.db2.gz NJTVRYDMFVULHS-INIZCTEOSA-N 0 0 390.867 3.565 20 10 GHCDRN COC(=O)CCCN1C(=O)/C(=C/c2cccc(-c3ccccn3)c2)SC1=S ZINC000747699248 889461661 /nfs/dbraw/zinc/46/16/61/889461661.db2.gz RUFCUDKTWFBDCR-LGMDPLHJSA-N 0 0 398.509 3.903 20 10 GHCDRN Cc1nc(C2C[C@H]3CC[C@@H](C2)N3C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)no1 ZINC000868515039 889483495 /nfs/dbraw/zinc/48/34/95/889483495.db2.gz IAOCRVJYJKZUAI-HMZLUNFSSA-N 0 0 383.496 3.625 20 10 GHCDRN C[C@@H](NC(=O)N[C@H](C)c1ccccc1O)c1ccc(N2CCCOC2=O)cc1 ZINC000868646660 889540969 /nfs/dbraw/zinc/54/09/69/889540969.db2.gz VJPTXUDPUXCJMH-HUUCEWRRSA-N 0 0 383.448 3.860 20 10 GHCDRN CO[C@H]1COCC[C@H]1N(C)C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001132901883 889805574 /nfs/dbraw/zinc/80/55/74/889805574.db2.gz GKHCMFNDCMSXIB-UXHICEINSA-N 0 0 390.911 3.552 20 10 GHCDRN Cc1cc(C(=O)N2CCCN3c4ccccc4C[C@@H]3C2)c(C)n1-c1ccccn1 ZINC000811614927 889818733 /nfs/dbraw/zinc/81/87/33/889818733.db2.gz VTCUGLIPGAOQEK-HXUWFJFHSA-N 0 0 386.499 3.766 20 10 GHCDRN Cc1cc(C(=O)N2CCCN3c4ccccc4C[C@H]3C2)c(C)n1-c1ccccn1 ZINC000811614926 889818943 /nfs/dbraw/zinc/81/89/43/889818943.db2.gz VTCUGLIPGAOQEK-FQEVSTJZSA-N 0 0 386.499 3.766 20 10 GHCDRN CC[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1c(C)noc1C ZINC000122706511 890026788 /nfs/dbraw/zinc/02/67/88/890026788.db2.gz YYXDEGBFLSVLBB-SFHVURJKSA-N 0 0 388.537 3.795 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2cc(Cl)sc2[nH]1 ZINC000811875782 890068143 /nfs/dbraw/zinc/06/81/43/890068143.db2.gz DWUDDHIDENWGPC-UHFFFAOYSA-N 0 0 389.908 3.992 20 10 GHCDRN Cc1cc(C(F)(F)F)nn1CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000811885007 890087931 /nfs/dbraw/zinc/08/79/31/890087931.db2.gz SXMNBBFZHBYKNN-UHFFFAOYSA-N 0 0 382.430 3.714 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000475960981 890221236 /nfs/dbraw/zinc/22/12/36/890221236.db2.gz URWPZLGKDLZRCR-UHFFFAOYSA-N 0 0 387.411 3.503 20 10 GHCDRN Cc1cc(=O)c(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cn1C1CC1 ZINC000287627166 913455043 /nfs/dbraw/zinc/45/50/43/913455043.db2.gz OYIIGRJSTFAAIF-UHFFFAOYSA-N 0 0 379.504 3.658 20 10 GHCDRN O=C(c1ccccc1)N1[C@H](C(=O)N2Cc3cccc(O)c3C2)C[C@H]2CCCC[C@@H]21 ZINC000871201465 890692189 /nfs/dbraw/zinc/69/21/89/890692189.db2.gz WBRDQOTWMHLFGZ-QMMLZNLJSA-N 0 0 390.483 3.708 20 10 GHCDRN Cc1cc(C)cc(C(=O)N2CCCC[C@H]2C(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871202756 890694086 /nfs/dbraw/zinc/69/40/86/890694086.db2.gz FHYWFKGFVGFXMT-FQEVSTJZSA-N 0 0 378.472 3.546 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCc1nc2ccc(Br)cc2o1 ZINC000812590071 890780153 /nfs/dbraw/zinc/78/01/53/890780153.db2.gz SVRKZRCPOFYRJB-QHHAFSJGSA-N 0 0 390.189 3.758 20 10 GHCDRN CC(C)[C@@]1(CO)CCCN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000888586145 890996277 /nfs/dbraw/zinc/99/62/77/890996277.db2.gz XAEIDVJCZXWGEQ-QFIPXVFZSA-N 0 0 393.491 3.659 20 10 GHCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)N1CCC([C@@H]2CCCO2)CC1 ZINC000888588060 891051185 /nfs/dbraw/zinc/05/11/85/891051185.db2.gz QSPQNGZAOJFTMV-SFHVURJKSA-N 0 0 391.475 3.819 20 10 GHCDRN CC(=O)Nc1cccc(N2C(=O)/C(=C/c3cnn4ccccc34)SC2=S)c1 ZINC000729688409 891066662 /nfs/dbraw/zinc/06/66/62/891066662.db2.gz ZHYXWWNJCFJICC-MFOYZWKCSA-N 0 0 394.481 3.699 20 10 GHCDRN C=Cc1ccc(CCNC(=O)NCc2cccc(Br)c2O)cc1 ZINC000812922016 891126742 /nfs/dbraw/zinc/12/67/42/891126742.db2.gz WKVNBRPZJUFRDD-UHFFFAOYSA-N 0 0 375.266 3.840 20 10 GHCDRN Cc1cc(C(=O)NCc2ccc3c(c2)CCCN3C)c(C)n1Cc1ccccn1 ZINC000123949142 891150590 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Cc1cc(C(=O)Cn2cnc(C(F)F)cc2=O)c(C)n1-c1cccc(F)c1 ZINC000813578070 891760470 /nfs/dbraw/zinc/76/04/70/891760470.db2.gz KNTHOECYWXAIRN-UHFFFAOYSA-N 0 0 375.350 3.610 20 10 GHCDRN Cc1ccc(C)c(-n2ccnc2SCC(=O)N(C)Cc2ccccc2O)c1 ZINC000917310780 891781916 /nfs/dbraw/zinc/78/19/16/891781916.db2.gz HMCKXOWPOKCJPW-UHFFFAOYSA-N 0 0 381.501 3.945 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Nc3ccc4oc(=O)ccc4c3)CC2)cc1 ZINC000067719818 891782302 /nfs/dbraw/zinc/78/23/02/891782302.db2.gz VEKPNMPJGPXVJH-UHFFFAOYSA-N 0 0 393.443 3.546 20 10 GHCDRN Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc3c(n2)CCCC3)cc1 ZINC000873821121 891827061 /nfs/dbraw/zinc/82/70/61/891827061.db2.gz FGFUSSSSBZDRMM-UHFFFAOYSA-N 0 0 392.503 3.705 20 10 GHCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C2(Cc3ccccc3Br)CC2)c1 ZINC000813791757 891980271 /nfs/dbraw/zinc/98/02/71/891980271.db2.gz FAIPXFWANBWVAH-UHFFFAOYSA-N 0 0 377.238 3.928 20 10 GHCDRN CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@H](C)c1ccccc1O ZINC000874190661 892027542 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Cc1cc(F)c(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1F ZINC000825776826 892524367 /nfs/dbraw/zinc/52/43/67/892524367.db2.gz NEFSXJBVBWKEPN-QGZVFWFLSA-N 0 0 375.415 3.729 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCO[C@@H](c3ccco3)C2)cc1F ZINC000125500422 892714128 /nfs/dbraw/zinc/71/41/28/892714128.db2.gz LPASIQKQHRNZIB-LJQANCHMSA-N 0 0 375.444 3.548 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@@H]2c2nncn2C)c(C)n1-c1ccc(Cl)cc1 ZINC000125581137 892801120 /nfs/dbraw/zinc/80/11/20/892801120.db2.gz DRHDWJCPBQSSFW-GOSISDBHSA-N 0 0 383.883 3.853 20 10 GHCDRN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)NCCCSc1nccs1 ZINC000154582165 892893371 /nfs/dbraw/zinc/89/33/71/892893371.db2.gz KPXUYDJJCDPVJS-BBRMVZONSA-N 0 0 377.535 3.659 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccnc(OCC(F)F)c1 ZINC000125822720 893026438 /nfs/dbraw/zinc/02/64/38/893026438.db2.gz WTCFFNRNEBZRDM-UHFFFAOYSA-N 0 0 389.446 3.988 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2nc(C)sc2c1 ZINC000125824206 893026989 /nfs/dbraw/zinc/02/69/89/893026989.db2.gz QYFBLCVJOYSGHI-UHFFFAOYSA-N 0 0 383.473 3.688 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)Nc2ccc(-n3cccn3)nc2)C2CC2)cc1 ZINC000918036269 893033646 /nfs/dbraw/zinc/03/36/46/893033646.db2.gz ORVGFAWWRREMGK-UHFFFAOYSA-N 0 0 376.464 3.530 20 10 GHCDRN CCn1c(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)nc2ccccc21 ZINC000918058065 893071922 /nfs/dbraw/zinc/07/19/22/893071922.db2.gz OHPFVCIRMCBLGB-UHFFFAOYSA-N 0 0 391.519 3.996 20 10 GHCDRN C[C@H](NC(=O)N[C@](C)(C1CC1)C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000933593529 893092331 /nfs/dbraw/zinc/09/23/31/893092331.db2.gz QPCUECUJAUEXKR-SCLBCKFNSA-N 0 0 385.430 3.614 20 10 GHCDRN COCCOCc1cccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1 ZINC000918096435 893112683 /nfs/dbraw/zinc/11/26/83/893112683.db2.gz ZOEUJNBFKYVWPM-UHFFFAOYSA-N 0 0 379.460 3.904 20 10 GHCDRN CCOC(=O)C1=C(C)N(CC2CC2)C(=O)N[C@H]1c1ccc(N2CCCCC2)cc1 ZINC000918077047 893119544 /nfs/dbraw/zinc/11/95/44/893119544.db2.gz WHNBULDCLOVPPR-NRFANRHFSA-N 0 0 397.519 3.990 20 10 GHCDRN Cc1ccc2nc(CNC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cn2c1 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COc1c(O)c(CNc2ccc(C)cc2OC[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000774929446 914095857 /nfs/dbraw/zinc/09/58/57/914095857.db2.gz ZHJOEAYVMWAGHK-OAHLLOKOSA-N 0 0 388.420 3.787 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3ccc(N4CCC(C)=N4)cc3)C2)cc1 ZINC000819582844 896828771 /nfs/dbraw/zinc/82/87/71/896828771.db2.gz LRWCLXRYZPRHOI-GOSISDBHSA-N 0 0 392.503 3.538 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)Cc3coc(-c4cccs4)n3)C2)cc1 ZINC000819583026 896829221 /nfs/dbraw/zinc/82/92/21/896829221.db2.gz SHMIAKVPKNJAGU-OAHLLOKOSA-N 0 0 397.500 3.597 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)COc3cccc(C(C)C)c3)C2)cc1 ZINC000819582664 896830201 /nfs/dbraw/zinc/83/02/01/896830201.db2.gz KQSFIQOCUKMLDB-SFHVURJKSA-N 0 0 382.504 3.840 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)COc3cccc(Cl)c3C)C2)cc1 ZINC000819585141 896832812 /nfs/dbraw/zinc/83/28/12/896832812.db2.gz XARCEHGRUYKWDV-INIZCTEOSA-N 0 0 388.895 3.679 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)C(C)(C)c3ccccc3OC)C2)cc1 ZINC000819583713 896833105 /nfs/dbraw/zinc/83/31/05/896833105.db2.gz ZNFNGXTTYSTPMQ-KRWDZBQOSA-N 0 0 382.504 3.624 20 10 GHCDRN CCCOc1cccc(CC(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000819585265 896833136 /nfs/dbraw/zinc/83/31/36/896833136.db2.gz CTADHLNKUNBCRR-IBGZPJMESA-N 0 0 382.504 3.669 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)CCCc3ccc(F)c(F)c3)C2)cc1 ZINC000819585067 896834094 /nfs/dbraw/zinc/83/40/94/896834094.db2.gz WMPQOROCXLHOAZ-KRWDZBQOSA-N 0 0 388.458 3.939 20 10 GHCDRN CCC(CC)n1nc(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)cc1C ZINC000819587061 896836481 /nfs/dbraw/zinc/83/64/81/896836481.db2.gz VJHXJOCRRCJMLG-QGZVFWFLSA-N 0 0 384.524 3.818 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)/C(C)=C\c3ccc(OC)c(F)c3)C2)cc1 ZINC000819586632 896837653 /nfs/dbraw/zinc/83/76/53/896837653.db2.gz ANMQCSRVPSYLBQ-XSVZSIDJSA-N 0 0 398.478 3.889 20 10 GHCDRN CCOc1ccc(C[C@@H](C)C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000819587699 896837729 /nfs/dbraw/zinc/83/77/29/896837729.db2.gz OGBXJHDPMDTYKH-UYAOXDASSA-N 0 0 396.531 3.915 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)CCc1ccc(Cl)cc1 ZINC000819692827 896908954 /nfs/dbraw/zinc/90/89/54/896908954.db2.gz GTTPEPBYXGKHAT-UHFFFAOYSA-N 0 0 375.852 3.570 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)CCCc1ccc(F)c(F)c1 ZINC000819697136 896909289 /nfs/dbraw/zinc/90/92/89/896909289.db2.gz QIDHWBPOYJJUKS-UHFFFAOYSA-N 0 0 391.414 3.585 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000041925137 896935230 /nfs/dbraw/zinc/93/52/30/896935230.db2.gz YDXLYYIWDJHFAQ-UHFFFAOYSA-N 0 0 392.286 3.849 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)COc1ccc(Cl)c2cccnc12 ZINC000819755449 896985868 /nfs/dbraw/zinc/98/58/68/896985868.db2.gz IGXYRTHPEKYTLD-UHFFFAOYSA-N 0 0 391.851 3.775 20 10 GHCDRN Cc1cc(C(=O)N2CC3(CCC3)[C@@H]2C2CCOCC2)c(C)n1-c1ccccn1 ZINC000819756895 896990237 /nfs/dbraw/zinc/99/02/37/896990237.db2.gz QNDSOKSNFOMFEJ-NRFANRHFSA-N 0 0 379.504 3.910 20 10 GHCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])c1nnc2n1CCCCC2 ZINC000882886107 897077439 /nfs/dbraw/zinc/07/74/39/897077439.db2.gz DQZFEYOHOIMVBA-JTQLQIEISA-N 0 0 399.720 3.977 20 10 GHCDRN Cc1cc(C)nc(SCC(=O)Nc2c(-c3ccccn3)nc3ccccn32)n1 ZINC000820006419 897081982 /nfs/dbraw/zinc/08/19/82/897081982.db2.gz XFSGTMZVANMCQX-UHFFFAOYSA-N 0 0 390.472 3.534 20 10 GHCDRN Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000883184657 897347455 /nfs/dbraw/zinc/34/74/55/897347455.db2.gz BOAMSXNBZSBVAG-UHFFFAOYSA-N 0 0 398.610 3.850 20 10 GHCDRN C[C@H](NC(=O)NCC[C@@H]1CCCC1(F)F)c1ccc(N2CCOCC2)cc1 ZINC000883207736 897371418 /nfs/dbraw/zinc/37/14/18/897371418.db2.gz RWAUDZSJXYAWGC-RDJZCZTQSA-N 0 0 381.467 3.709 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@H]2CCC3(CCOCC3)CO2)c1 ZINC000883253971 897406875 /nfs/dbraw/zinc/40/68/75/897406875.db2.gz GXACHHWZAAJMNW-OAHLLOKOSA-N 0 0 384.314 3.529 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2c(F)cc(Br)cc2F)c1 ZINC000131347038 897413845 /nfs/dbraw/zinc/41/38/45/897413845.db2.gz VUBIICFUENJMPB-QMMMGPOBSA-N 0 0 386.192 3.933 20 10 GHCDRN COc1cc2c(cc1NCc1nnn(CC(F)(F)F)n1)oc1ccccc12 ZINC000820711494 897486295 /nfs/dbraw/zinc/48/62/95/897486295.db2.gz AEWIJHOQQJRCRC-UHFFFAOYSA-N 0 0 377.326 3.756 20 10 GHCDRN C[C@H](Nc1cccc([C@@]2(C)COC(=O)N2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000883328435 897497807 /nfs/dbraw/zinc/49/78/07/897497807.db2.gz RGXLNUZQSRZOPL-OYHNWAKOSA-N 0 0 399.466 3.790 20 10 GHCDRN O=C(NCCc1cc(F)cc(F)c1)NCc1ccc(N2CCSCC2)cc1 ZINC000132163091 897702119 /nfs/dbraw/zinc/70/21/19/897702119.db2.gz AAOUBOKYCAPPCS-UHFFFAOYSA-N 0 0 391.487 3.560 20 10 GHCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(NC(=O)NC2CC2)cc1 ZINC000042661700 897705306 /nfs/dbraw/zinc/70/53/06/897705306.db2.gz GKMLUUHPOHMWIS-UHFFFAOYSA-N 0 0 389.415 3.787 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3ccc4nc(C)ccc4c3)CC2)cc1 ZINC000132283988 897744487 /nfs/dbraw/zinc/74/44/87/897744487.db2.gz FDLWAMIIYVKOMH-UHFFFAOYSA-N 0 0 375.472 3.951 20 10 GHCDRN COc1ccnc(OC)c1C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC001136446720 897890332 /nfs/dbraw/zinc/89/03/32/897890332.db2.gz SJNLTOLCIDGZRJ-UHFFFAOYSA-N 0 0 383.492 3.798 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3cnc(Cl)cc3C)CC2)cc1F ZINC000132957037 898008506 /nfs/dbraw/zinc/00/85/06/898008506.db2.gz NFYGUGROCKHXMM-UHFFFAOYSA-N 0 0 378.835 3.545 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc2[nH]ccc2c1 ZINC000103582626 898099644 /nfs/dbraw/zinc/09/96/44/898099644.db2.gz CTZHSRWFMDOQJW-UHFFFAOYSA-N 0 0 382.439 3.590 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc2[nH]cnc21 ZINC001136546359 898234092 /nfs/dbraw/zinc/23/40/92/898234092.db2.gz FVXDPQWMVVMWGS-UHFFFAOYSA-N 0 0 386.402 3.563 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Cc3scnc3-c3ccccc3)CC2)cc1 ZINC000822197271 898251944 /nfs/dbraw/zinc/25/19/44/898251944.db2.gz SRIJJTHVAKFYSU-UHFFFAOYSA-N 0 0 393.512 3.710 20 10 GHCDRN C/C=C/COc1cccc(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000822269199 898277437 /nfs/dbraw/zinc/27/74/37/898277437.db2.gz NGAGELBDBHJLPN-ONEGZZNKSA-N 0 0 394.515 3.679 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000822351887 898342888 /nfs/dbraw/zinc/34/28/88/898342888.db2.gz JABPPWRZAUILPO-UHFFFAOYSA-N 0 0 390.487 3.965 20 10 GHCDRN CC(F)(F)C(C)(C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000822582010 898450574 /nfs/dbraw/zinc/45/05/74/898450574.db2.gz PCHDRALJOUMYTQ-UHFFFAOYSA-N 0 0 394.384 3.840 20 10 GHCDRN CCn1nc(C)c(CNC(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)c1C ZINC001136597935 898480324 /nfs/dbraw/zinc/48/03/24/898480324.db2.gz NMFNDQKUADCBDX-UHFFFAOYSA-N 0 0 392.503 3.978 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(=O)n(C)c3)cc2Cl)C1 ZINC000800001572 898483392 /nfs/dbraw/zinc/48/33/92/898483392.db2.gz GIMVOXCLFYVKND-CQSZACIVSA-N 0 0 388.899 3.597 20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)c3cc4ccncc4s3)cc2F)C[C@H](C)O1 ZINC000822614470 898500995 /nfs/dbraw/zinc/50/09/95/898500995.db2.gz VRZBRCKTDJEMGT-KBPBESRZSA-N 0 0 399.491 3.979 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)N[C@H]2CCC[C@@H]2Cc2cnn(C)c2)C2CC2)cc1 ZINC000822598720 898520637 /nfs/dbraw/zinc/52/06/37/898520637.db2.gz RBOWAYXWDAZFFV-KNQAVFIVSA-N 0 0 395.551 3.572 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)C2)cc1 ZINC000822639136 898523661 /nfs/dbraw/zinc/52/36/61/898523661.db2.gz MPLCORKEDMPKRK-OAHLLOKOSA-N 0 0 384.436 3.621 20 10 GHCDRN COCc1cc(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)no1 ZINC000800049342 898536111 /nfs/dbraw/zinc/53/61/11/898536111.db2.gz IQCYUWSARMQRSZ-CYBMUJFWSA-N 0 0 377.872 3.641 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(C(N)=O)s3)cc2Cl)C1 ZINC000800050679 898537202 /nfs/dbraw/zinc/53/72/02/898537202.db2.gz YZOHBTLKFZNBRW-LBPRGKRZSA-N 0 0 391.924 3.667 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(OC)c(-c3ccccn3)c2)c1 ZINC000133534694 898586347 /nfs/dbraw/zinc/58/63/47/898586347.db2.gz JLIOQYFXFFBDJU-AWEZNQCLSA-N 0 0 378.428 3.962 20 10 GHCDRN COC(=O)C[C@@H](CNC(=O)N(Cc1ccccc1O)C1CCCCC1)C1CC1 ZINC000822746404 898605429 /nfs/dbraw/zinc/60/54/29/898605429.db2.gz XYANQUFZNBGCQP-SFHVURJKSA-N 0 0 388.508 3.826 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3CCc4cc(C)ccc43)C2)cc1 ZINC000822760566 898615427 /nfs/dbraw/zinc/61/54/27/898615427.db2.gz ORKOGBLXYSNQMB-VGSWGCGISA-N 0 0 379.504 3.817 20 10 GHCDRN Cc1cc(C)c2c(N)c(C(=O)OCC3CN(C(=O)OC(C)(C)C)C3)sc2n1 ZINC000800117914 898625228 /nfs/dbraw/zinc/62/52/28/898625228.db2.gz OGZQAJPYJWEADR-UHFFFAOYSA-N 0 0 391.493 3.519 20 10 GHCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)/C=C/C2(C)CCOCC2)cc1 ZINC000822883402 898684591 /nfs/dbraw/zinc/68/45/91/898684591.db2.gz CLEFYBJIWRDEPR-ZJVMWOEPSA-N 0 0 386.536 3.633 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](n1cccn1)C(F)(F)F ZINC000822898927 898704804 /nfs/dbraw/zinc/70/48/04/898704804.db2.gz VLZPRTBVQGCXKA-KRWDZBQOSA-N 0 0 382.430 3.880 20 10 GHCDRN Cc1cccc([C@H](C)CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000155469203 898813628 /nfs/dbraw/zinc/81/36/28/898813628.db2.gz JXQOTFBBMMMYPH-LJQANCHMSA-N 0 0 381.520 3.777 20 10 GHCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cnn3c2CCC3)cc1 ZINC000823233156 898918318 /nfs/dbraw/zinc/91/83/18/898918318.db2.gz MLWZXZOLZHSFQH-UHFFFAOYSA-N 0 0 390.487 3.751 20 10 GHCDRN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000043862569 898994181 /nfs/dbraw/zinc/99/41/81/898994181.db2.gz PIGXHPSLEKAYIC-INIZCTEOSA-N 0 0 382.508 3.737 20 10 GHCDRN Cc1ccccc1C(C)(C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823523309 899070356 /nfs/dbraw/zinc/07/03/56/899070356.db2.gz CRSTVYHNOSWUDW-UHFFFAOYSA-N 0 0 381.520 3.691 20 10 GHCDRN C[C@@H]1C[C@H](c2ccccc2)N(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000823524924 899071929 /nfs/dbraw/zinc/07/19/29/899071929.db2.gz ZJHQYEFTMJNIQD-WZONZLPQSA-N 0 0 393.531 3.940 20 10 GHCDRN C/C(=C/c1ccccc1)CN(C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823537138 899077785 /nfs/dbraw/zinc/07/77/85/899077785.db2.gz MEKABEQTXXZNFE-MNDPQUGUSA-N 0 0 393.531 3.893 20 10 GHCDRN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823537034 899078214 /nfs/dbraw/zinc/07/82/14/899078214.db2.gz KKLOAAVRWJUOFZ-KRWDZBQOSA-N 0 0 399.457 3.520 20 10 GHCDRN CC[C@@H]1Cc2ccccc2CN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823543492 899081795 /nfs/dbraw/zinc/08/17/95/899081795.db2.gz XRIOWOWHTBDQRK-OAQYLSRUSA-N 0 0 393.531 3.694 20 10 GHCDRN CC[C@H]1Cc2ccccc2CN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823543491 899082160 /nfs/dbraw/zinc/08/21/60/899082160.db2.gz XRIOWOWHTBDQRK-NRFANRHFSA-N 0 0 393.531 3.694 20 10 GHCDRN CCOC(=O)CN(Cc1ncc(-c2ccc(C)cc2)o1)Cc1ccccc1O ZINC000823580862 899097852 /nfs/dbraw/zinc/09/78/52/899097852.db2.gz ACLIJUSYUQTWDP-UHFFFAOYSA-N 0 0 380.444 3.921 20 10 GHCDRN C[C@]1(c2ccccc2)CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000823548198 899104534 /nfs/dbraw/zinc/10/45/34/899104534.db2.gz KCXFMFROVYQQBD-DEOSSOPVSA-N 0 0 393.531 3.521 20 10 GHCDRN Cc1ccc(C[C@@H](C)N(C)C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000823548607 899105673 /nfs/dbraw/zinc/10/56/73/899105673.db2.gz RLVDMELAEKBUOG-LJQANCHMSA-N 0 0 395.547 3.729 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](c3ccccc3)C(F)F)C2)cc1 ZINC000823560127 899113228 /nfs/dbraw/zinc/11/32/28/899113228.db2.gz ZMJCECWYCVWEAV-YJBOKZPZSA-N 0 0 375.419 3.580 20 10 GHCDRN CC[C@H](CNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)CC(F)(F)F ZINC000823693786 899191396 /nfs/dbraw/zinc/19/13/96/899191396.db2.gz QEZIIYWMJQKZLI-LSDHHAIUSA-N 0 0 387.446 3.799 20 10 GHCDRN COc1c([O-])c(C[NH2+][C@@H](C)Cc2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000774976814 914323691 /nfs/dbraw/zinc/32/36/91/914323691.db2.gz TUVVDYDUYGVGIM-NSHDSACASA-N 0 0 395.253 3.792 20 10 GHCDRN CO[C@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CCCCC1 ZINC000823678339 899204658 /nfs/dbraw/zinc/20/46/58/899204658.db2.gz HDJIQKOAWSATQG-PZJWPPBQSA-N 0 0 390.524 3.678 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N3CCc4cc(F)cc(C)c4C3)C2)cc1 ZINC000823732741 899207018 /nfs/dbraw/zinc/20/70/18/899207018.db2.gz IISQIOWRQVVUFE-KRWDZBQOSA-N 0 0 397.494 3.737 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N3Cc4ccccc4O[C@@H](C)C3)C2)cc1 ZINC000823732986 899208215 /nfs/dbraw/zinc/20/82/15/899208215.db2.gz KBJHEUXLISCTAC-ROUUACIJSA-N 0 0 395.503 3.514 20 10 GHCDRN Cc1cc(C)n(-c2ccc(NC(=O)NCc3ccc(N4CC=CC4)cc3)cn2)n1 ZINC000133916215 899222293 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20 10 GHCDRN C[C@H](NC(=O)c1cn(-c2cccc(Cl)c2F)nn1)c1ccc(N(C)C)cc1 ZINC000773018927 904380463 /nfs/dbraw/zinc/38/04/63/904380463.db2.gz JJPCAQBBCCFOGH-LBPRGKRZSA-N 0 0 387.846 3.617 20 10 GHCDRN C[C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccc(N(C)C)cc1 ZINC000773088857 904419546 /nfs/dbraw/zinc/41/95/46/904419546.db2.gz PPEWAIOOPDTVHL-SNVBAGLBSA-N 0 0 389.340 3.616 20 10 GHCDRN CCNC(=O)C(C)(C)CNC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000773134287 904461558 /nfs/dbraw/zinc/46/15/58/904461558.db2.gz JCDMHFNMRRNAFB-UHFFFAOYSA-N 0 0 389.927 3.569 20 10 GHCDRN C[C@@H](NC(=O)NCCc1ccc(OC(F)F)cc1)c1ccc(N(C)C)cc1 ZINC000773137027 904472092 /nfs/dbraw/zinc/47/20/92/904472092.db2.gz XIXAGYWMNMPXRX-CQSZACIVSA-N 0 0 377.435 3.957 20 10 GHCDRN C[C@@H](NC(=O)NCc1cccnc1OCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773192074 904550870 /nfs/dbraw/zinc/55/08/70/904550870.db2.gz YJDCPKIVZLACKO-CYBMUJFWSA-N 0 0 396.413 3.649 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)Nc2ccccc2CC(=O)N(C)C)c1 ZINC001186850249 914822102 /nfs/dbraw/zinc/82/21/02/914822102.db2.gz WEMNPVBUDLJYGA-UHFFFAOYSA-N 0 0 391.471 3.683 20 10 GHCDRN COc1ccccc1-n1cnc2cc(NCc3ccccc3-n3cnnn3)ccc21 ZINC001171424955 904571772 /nfs/dbraw/zinc/57/17/72/904571772.db2.gz WJOCHKGDYVBPBG-UHFFFAOYSA-N 0 0 397.442 3.622 20 10 GHCDRN CCC(CC)C(=O)N1CCC(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773212739 904575926 /nfs/dbraw/zinc/57/59/26/904575926.db2.gz VVEZIGKGLSUUOK-INIZCTEOSA-N 0 0 388.556 3.540 20 10 GHCDRN CCN(CC)C(=O)c1ccc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773213851 904575985 /nfs/dbraw/zinc/57/59/85/904575985.db2.gz SRXMBDHTKYDNOH-KRWDZBQOSA-N 0 0 396.535 3.795 20 10 GHCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000773229786 904593790 /nfs/dbraw/zinc/59/37/90/904593790.db2.gz KHFAUSQGZAWYOD-LSDHHAIUSA-N 0 0 380.492 3.759 20 10 GHCDRN C[C@H](COc1ccc(F)cc1F)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773234443 904600151 /nfs/dbraw/zinc/60/01/51/904600151.db2.gz LAUWBSCXXQGFBI-ZIAGYGMSSA-N 0 0 377.435 3.859 20 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/nfs/dbraw/zinc/83/47/81/904834781.db2.gz JAZBSLGLFOHRTF-OAHLLOKOSA-N 0 0 381.476 3.804 20 10 GHCDRN Fc1ccc([C@@H](NCc2ccc(N3CCSCC3)cc2)c2ncc[nH]2)cc1 ZINC000187792844 904839302 /nfs/dbraw/zinc/83/93/02/904839302.db2.gz VAURVRYAIHRCKX-HXUWFJFHSA-N 0 0 382.508 3.981 20 10 GHCDRN Cc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C(C)C)n1 ZINC000826671194 904852336 /nfs/dbraw/zinc/85/23/36/904852336.db2.gz HLXWWWMOAKFTGE-UHFFFAOYSA-N 0 0 385.483 3.544 20 10 GHCDRN CC(C)(C)OC(=O)NCc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)co1 ZINC000187988898 904859669 /nfs/dbraw/zinc/85/96/69/904859669.db2.gz MYYXOLJKXJZFHF-UHFFFAOYSA-N 0 0 399.491 3.835 20 10 GHCDRN C[C@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccccc1O ZINC001171722699 904947714 /nfs/dbraw/zinc/94/77/14/904947714.db2.gz AXLQPHDSCSPGIP-NSHDSACASA-N 0 0 388.876 3.868 20 10 GHCDRN COc1ccc(N(C)CCN(C)CC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC001171729021 904957661 /nfs/dbraw/zinc/95/76/61/904957661.db2.gz FAFQLYGBNIWBNW-UHFFFAOYSA-N 0 0 395.425 3.721 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000801550176 921121978 /nfs/dbraw/zinc/12/19/78/921121978.db2.gz QQCBEQNVALTAPG-OAHLLOKOSA-N 0 0 388.895 3.993 20 10 GHCDRN CCOCc1cc(CN[C@H](C(=O)OC)c2cc(F)ccc2F)ccc1OC ZINC000779176361 905128266 /nfs/dbraw/zinc/12/82/66/905128266.db2.gz LPBONIGEPCZRTE-IBGZPJMESA-N 0 0 379.403 3.514 20 10 GHCDRN C[C@H](O)[C@@](C)(CNC(=O)NCCCSc1nccs1)Cc1ccccc1 ZINC000189558935 905167964 /nfs/dbraw/zinc/16/79/64/905167964.db2.gz KXTPDDNNUIQSKU-HNAYVOBHSA-N 0 0 393.578 3.554 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)CCN1c2ccccc2O[C@H](C)C1=O ZINC000801549934 921123657 /nfs/dbraw/zinc/12/36/57/921123657.db2.gz HNXAJTKRURVBKN-QGZVFWFLSA-N 0 0 396.487 3.725 20 10 GHCDRN O=C(Cc1csc(-c2cccnc2)n1)NCc1c(O)ccc2c1CCCC2 ZINC000174520868 905288285 /nfs/dbraw/zinc/28/82/85/905288285.db2.gz COZREROKASJZCL-UHFFFAOYSA-N 0 0 379.485 3.648 20 10 GHCDRN CCc1cccc(C)c1NC(=O)CN(CCOC)c1ccc(OC)c(OC)c1 ZINC000174799331 905352191 /nfs/dbraw/zinc/35/21/91/905352191.db2.gz WEKMAHNNDYUGCC-UHFFFAOYSA-N 0 0 386.492 3.666 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+]Cc2nc3cc(F)ccc3n2C)c1 ZINC000781631017 905422188 /nfs/dbraw/zinc/42/21/88/905422188.db2.gz FNDQRTCTDNPYHI-UHFFFAOYSA-N 0 0 378.245 3.779 20 10 GHCDRN O=C(c1ccccc1)c1ccc(O)c(C[NH+]2CCC([C@@H]3CCCO3)CC2)c1[O-] ZINC000190185609 905840944 /nfs/dbraw/zinc/84/09/44/905840944.db2.gz GSBVTCMNHDUDEC-NRFANRHFSA-N 0 0 381.472 3.720 20 10 GHCDRN O=C(Cc1csc2ccccc12)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000299128608 921214233 /nfs/dbraw/zinc/21/42/33/921214233.db2.gz CBRFMWQHIQZEFC-UHFFFAOYSA-N 0 0 398.503 3.860 20 10 GHCDRN COCCOc1cc(C)ccc1CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773373884 906397325 /nfs/dbraw/zinc/39/73/25/906397325.db2.gz JXXWDSCDLRMWQM-QGZVFWFLSA-N 0 0 385.508 3.647 20 10 GHCDRN O=C1C[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CN1Cc1ccccc1 ZINC000179054941 906422315 /nfs/dbraw/zinc/42/23/15/906422315.db2.gz BWAHDEQATMZZEE-AWEZNQCLSA-N 0 0 379.287 3.837 20 10 GHCDRN CCCc1csc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)n1 ZINC000180695446 906822072 /nfs/dbraw/zinc/82/20/72/906822072.db2.gz TYQJBEDBVIKDAB-UHFFFAOYSA-N 0 0 392.500 3.518 20 10 GHCDRN COc1cc(COc2ccc(N(CCO)c3ccc(N)cc3)cc2)cc(OC)c1 ZINC001174223847 906920128 /nfs/dbraw/zinc/92/01/28/906920128.db2.gz HIVJYGVIPMYCOH-UHFFFAOYSA-N 0 0 394.471 3.995 20 10 GHCDRN CC(=O)NCc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC001174233292 906926494 /nfs/dbraw/zinc/92/64/94/906926494.db2.gz JGTRCGKDRXABMR-UHFFFAOYSA-N 0 0 386.407 3.547 20 10 GHCDRN Cc1cc(C)cc(C(=O)c2ccccc2Nc2cccc(S(N)(=O)=O)c2)c1 ZINC001174244200 906934261 /nfs/dbraw/zinc/93/42/61/906934261.db2.gz DNDCXGGNHDCZBD-UHFFFAOYSA-N 0 0 380.469 3.925 20 10 GHCDRN Nc1ccc2c(c1Nc1cccc(-n3cccn3)c1)C(=O)c1ccccc1C2=O ZINC001174304169 906944278 /nfs/dbraw/zinc/94/42/78/906944278.db2.gz XJNBYUWABKCXGE-UHFFFAOYSA-N 0 0 380.407 3.974 20 10 GHCDRN Cn1nc(C(F)(F)F)cc1Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001174326480 906986702 /nfs/dbraw/zinc/98/67/02/906986702.db2.gz SHFXXKVTVSUVTB-UHFFFAOYSA-N 0 0 387.317 3.664 20 10 GHCDRN CN(C)c1ccc(CNC(=O)CSc2ccc(Br)cc2)cc1 ZINC000008155063 921294125 /nfs/dbraw/zinc/29/41/25/921294125.db2.gz UQSNCVUJBJZGAX-UHFFFAOYSA-N 0 0 379.323 3.924 20 10 GHCDRN COCCn1cc(Nc2ccc(OCCCOc3ccc(N)cc3)cc2)cn1 ZINC001174552179 907111161 /nfs/dbraw/zinc/11/11/61/907111161.db2.gz YHQQZXLYTXYLOG-UHFFFAOYSA-N 0 0 382.464 3.703 20 10 GHCDRN CCO[C@H](C)n1cc(Nc2c(N)ccc3c2C(=O)c2ccccc2C3=O)cn1 ZINC001174700870 907163525 /nfs/dbraw/zinc/16/35/25/907163525.db2.gz HFDOKLLIHBMKIU-GFCCVEGCSA-N 0 0 376.416 3.539 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(F)cc1S(=O)(=O)CC ZINC000182813755 907270251 /nfs/dbraw/zinc/27/02/51/907270251.db2.gz NTKDHRYBRWMJGJ-UHFFFAOYSA-N 0 0 394.468 3.769 20 10 GHCDRN COc1ccc(N(c2ccc(N)cc2)c2ccc(N3CCOCC3)nc2)cc1 ZINC001174977645 907299952 /nfs/dbraw/zinc/29/99/52/907299952.db2.gz MBNGTZKUFWBCRF-UHFFFAOYSA-N 0 0 376.460 3.979 20 10 GHCDRN Cc1cc(Sc2ncccn2)ccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779507872 907354854 /nfs/dbraw/zinc/35/48/54/907354854.db2.gz ADUUATXZEMKWPD-YWEYNIOJSA-N 0 0 379.441 3.999 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC1CCN(c2nc3ccccc3s2)CC1 ZINC000779505548 907355001 /nfs/dbraw/zinc/35/50/01/907355001.db2.gz IJXBBYQLRLTYQQ-VURMDHGXSA-N 0 0 395.484 3.506 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CC4(C3)CCCC4)cc2F)C[C@@H](C)O1 ZINC000779529157 907368256 /nfs/dbraw/zinc/36/82/56/907368256.db2.gz NCRMFDFQHVCXAU-HZPDHXFCSA-N 0 0 375.488 3.525 20 10 GHCDRN COC(=O)c1cc(C(C)(C)NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)no1 ZINC000773470762 907428524 /nfs/dbraw/zinc/42/85/24/907428524.db2.gz KXFFOLICMDVSBL-UHFFFAOYSA-N 0 0 399.422 3.673 20 10 GHCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)[C@H]2CCCC[C@H]12 ZINC000183696250 907440682 /nfs/dbraw/zinc/44/06/82/907440682.db2.gz UMODMQGQQRWZGU-ZTNFWEORSA-N 0 0 389.515 3.507 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCc1cc(Cl)ccc1Br ZINC000779538289 907517770 /nfs/dbraw/zinc/51/77/70/907517770.db2.gz XSZYHEAXLFCEGO-QHHAFSJGSA-N 0 0 396.668 3.886 20 10 GHCDRN CN1C(=O)/C(=C/c2cnn(Cc3ccc(C(F)(F)F)cc3)c2)SC1=S ZINC000777403937 907544185 /nfs/dbraw/zinc/54/41/85/907544185.db2.gz QJFBKPQJFSCSLY-MLPAPPSSSA-N 0 0 383.420 3.781 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCc2cc(Br)cc(F)c2C1 ZINC000779543380 907546617 /nfs/dbraw/zinc/54/66/17/907546617.db2.gz BBEIHVOKEHFDDC-DUXPYHPUSA-N 0 0 392.224 3.598 20 10 GHCDRN C[S@](=O)c1ccc(Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)cc1 ZINC001175483604 907569816 /nfs/dbraw/zinc/56/98/16/907569816.db2.gz NGKAWQNFMLDFIU-MHZLTWQESA-N 0 0 377.421 3.649 20 10 GHCDRN C[C@@H](CCC(=O)NCc1c(O)ccc2c1CCCC2)NC(=O)OC(C)(C)C ZINC000192435567 907654103 /nfs/dbraw/zinc/65/41/03/907654103.db2.gz OEJVIVSYXMCAHK-AWEZNQCLSA-N 0 0 376.497 3.581 20 10 GHCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2coc(C3CCC3)n2)cc1 ZINC000192468516 907672457 /nfs/dbraw/zinc/67/24/57/907672457.db2.gz HBMCJLWPTOUQLG-IBGZPJMESA-N 0 0 383.492 3.830 20 10 GHCDRN C[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1cn(C)c2ccccc12 ZINC000184954211 907686017 /nfs/dbraw/zinc/68/60/17/907686017.db2.gz QVFVIUQQJRMETN-GOSISDBHSA-N 0 0 391.515 3.777 20 10 GHCDRN CN1CCCc2cc(CNC(=O)N3CCSC[C@@H]3c3nccs3)ccc21 ZINC000185292723 907748162 /nfs/dbraw/zinc/74/81/62/907748162.db2.gz RHBRNPFUELWUAL-QGZVFWFLSA-N 0 0 388.562 3.525 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(C)nc1OC ZINC000777413691 907782827 /nfs/dbraw/zinc/78/28/27/907782827.db2.gz BSWNWJLBRBKKPL-UHFFFAOYSA-N 0 0 379.254 3.529 20 10 GHCDRN Cc1nn(-c2ccccn2)c(C)c1/C=C1\SC(=S)N(c2cccnc2)C1=O ZINC000801647327 921355561 /nfs/dbraw/zinc/35/55/61/921355561.db2.gz JNCIJTRJTHQHOO-YBEGLDIGSA-N 0 0 393.497 3.685 20 10 GHCDRN C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc(Br)cc(Br)c1[O-] ZINC000185830217 907842248 /nfs/dbraw/zinc/84/22/48/907842248.db2.gz GRMNWWJHIVBKDI-ATZCPNFKSA-N 0 0 391.103 3.505 20 10 GHCDRN Cc1cc(Br)cc(CN2CCOC[C@H]2c2noc(C(C)C)n2)c1O ZINC000779613423 907888696 /nfs/dbraw/zinc/88/86/96/907888696.db2.gz RSGRCETZHNRPRO-AWEZNQCLSA-N 0 0 396.285 3.543 20 10 GHCDRN COc1ccc(OC)c([C@H](C)NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1 ZINC000192845718 907960904 /nfs/dbraw/zinc/96/09/04/907960904.db2.gz RGMURHHBEQZZFB-HNNXBMFYSA-N 0 0 379.460 3.997 20 10 GHCDRN Cn1cc(NC(=O)NCc2c(O)ccc3c2CCCC3)c(-c2ccccc2)n1 ZINC000779627090 907960911 /nfs/dbraw/zinc/96/09/11/907960911.db2.gz IAKSPBYYVHXPME-UHFFFAOYSA-N 0 0 376.460 3.993 20 10 GHCDRN CCOc1ccc2c(c1)[C@@H](NC(=O)NCc1ccc3c(c1)CCCN3C)CCO2 ZINC000773562123 908019849 /nfs/dbraw/zinc/01/98/49/908019849.db2.gz QQUOYYHJNRIRSG-FQEVSTJZSA-N 0 0 395.503 3.791 20 10 GHCDRN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193045927 908062313 /nfs/dbraw/zinc/06/23/13/908062313.db2.gz BKPIGAKITUYEGI-KPKJPENVSA-N 0 0 398.400 3.836 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)NCc1ccnc(N2CCCCC2)c1 ZINC000193128864 908094263 /nfs/dbraw/zinc/09/42/63/908094263.db2.gz MCNBIDZIZAVRAW-UHFFFAOYSA-N 0 0 393.535 3.672 20 10 GHCDRN CC(C)(C)OC(=O)Nc1cc(F)ccc1C(=O)NCc1cccc(O)c1O ZINC001176576422 908182227 /nfs/dbraw/zinc/18/22/27/908182227.db2.gz LNSYHHWMKMRHRB-UHFFFAOYSA-N 0 0 376.384 3.514 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC1CCC2(CC1)OCCO2 ZINC000188208587 908189455 /nfs/dbraw/zinc/18/94/55/908189455.db2.gz QLLYHSINRYXEJF-UHFFFAOYSA-N 0 0 386.536 3.959 20 10 GHCDRN CC1CCC(N(C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000080048932 908224260 /nfs/dbraw/zinc/22/42/60/908224260.db2.gz MYXSZYDSSYANQA-UHFFFAOYSA-N 0 0 377.504 3.507 20 10 GHCDRN Cc1[nH]nc2c1CCCN2Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001176827411 908267816 /nfs/dbraw/zinc/26/78/16/908267816.db2.gz DWEWPGLYCAWIFI-UHFFFAOYSA-N 0 0 382.508 3.964 20 10 GHCDRN C[C@@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1cc(Br)cc(Br)c1[O-] ZINC000189343354 908310233 /nfs/dbraw/zinc/31/02/33/908310233.db2.gz QVYLGFJOVFHUKG-YWVKMMECSA-N 0 0 393.119 3.729 20 10 GHCDRN C[C@H](NC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000773617749 908429284 /nfs/dbraw/zinc/42/92/84/908429284.db2.gz NWSIERJQXDOTLX-HNNXBMFYSA-N 0 0 390.528 3.512 20 10 GHCDRN C[C@H](NC(=O)N1CCC([C@](C)(O)C(F)(F)F)CC1)c1ccc(N(C)C)cc1 ZINC000773619039 908443672 /nfs/dbraw/zinc/44/36/72/908443672.db2.gz LMIZXTLNIGYIFM-UGSOOPFHSA-N 0 0 387.446 3.549 20 10 GHCDRN COc1cccc(NC(=S)NNc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000777473143 908618739 /nfs/dbraw/zinc/61/87/39/908618739.db2.gz CPWSRGNHLVJWSJ-UHFFFAOYSA-N 0 0 397.254 3.679 20 10 GHCDRN CO[C@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(Cl)c1 ZINC000080549613 908655901 /nfs/dbraw/zinc/65/59/01/908655901.db2.gz VFRMJHCNFFJUHK-LJQANCHMSA-N 0 0 375.900 3.935 20 10 GHCDRN Nc1ccc(NC(=O)Nc2ccc(NC(=O)C3(c4ccncc4)CC3)cc2)cc1 ZINC001177610254 908666253 /nfs/dbraw/zinc/66/62/53/908666253.db2.gz AWEFYIMKINQAEJ-UHFFFAOYSA-N 0 0 387.443 3.978 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Cc2csc(-c3ccccn3)n2)cc1 ZINC000193751090 908675641 /nfs/dbraw/zinc/67/56/41/908675641.db2.gz RGAXBNFQKPQZRM-UHFFFAOYSA-N 0 0 380.517 3.910 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(OC(C)C)cc2)cc1 ZINC000193780275 908706277 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CCN(C)c1ccc(CN2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1 ZINC000773730513 908957276 /nfs/dbraw/zinc/95/72/76/908957276.db2.gz ISDSQQVPOHGJEE-UHFFFAOYSA-N 0 0 397.548 3.572 20 10 GHCDRN Cn1c(-c2ccccc2)cnc1SCc1nc2cc(F)ccc2n(C)c1=O ZINC000195140430 908972607 /nfs/dbraw/zinc/97/26/07/908972607.db2.gz OYIWQFOPHJJUKX-UHFFFAOYSA-N 0 0 380.448 3.765 20 10 GHCDRN O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000195197633 908978836 /nfs/dbraw/zinc/97/88/36/908978836.db2.gz QYNBEMYIIDUOTC-SLFFLAALSA-N 0 0 384.451 3.778 20 10 GHCDRN COc1ccccc1[C@@H](O)CNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000195745900 909040173 /nfs/dbraw/zinc/04/01/73/909040173.db2.gz OAPZWTLGCCXFOL-NRFANRHFSA-N 0 0 378.472 3.875 20 10 GHCDRN O=C1[C@@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])CCCN1C1CCCCC1 ZINC001178496748 909056678 /nfs/dbraw/zinc/05/66/78/909056678.db2.gz JCVKYSUZBZPLJU-INIZCTEOSA-N 0 0 399.304 3.707 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccnc1Nc1ccccc1F ZINC000773760560 909134898 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/nfs/dbraw/zinc/89/00/14/909890014.db2.gz CNUSEZXKBSLCCN-CYBMUJFWSA-N 0 0 396.447 3.574 20 10 GHCDRN Cc1cc(Br)c(O)c(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC001180043042 909910276 /nfs/dbraw/zinc/91/02/76/909910276.db2.gz OSIQNCUZBRXCHG-CYBMUJFWSA-N 0 0 399.329 3.904 20 10 GHCDRN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000268631886 909957657 /nfs/dbraw/zinc/95/76/57/909957657.db2.gz WCFUHSFLCNZYRY-UHFFFAOYSA-N 0 0 385.464 3.755 20 10 GHCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)C[C@@H]1OC(=O)c2ccccc21 ZINC001180179131 909977882 /nfs/dbraw/zinc/97/78/82/909977882.db2.gz FDNVKMKPUDOPIV-ANPDSZNTSA-N 0 0 387.399 3.907 20 10 GHCDRN O=C(C[C@H]1OC(=O)c2ccccc21)NCc1cc(Cl)c2cccnc2c1O ZINC001180187607 909983111 /nfs/dbraw/zinc/98/31/11/909983111.db2.gz JVOXAOFBYBXJHO-MRXNPFEDSA-N 0 0 382.803 3.512 20 10 GHCDRN C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F)c1ccc(N(C)C)cc1 ZINC000773855343 910108683 /nfs/dbraw/zinc/10/86/83/910108683.db2.gz GTWTXRZMONSLLQ-NSHDSACASA-N 0 0 397.372 3.726 20 10 GHCDRN COc1ccc(C(C)(C)C)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773854968 910115759 /nfs/dbraw/zinc/11/57/59/910115759.db2.gz DIQCTGSOLMKJMU-HNNXBMFYSA-N 0 0 397.519 3.875 20 10 GHCDRN O=C(NCc1cccc(Cl)c1O)c1cnn(Cc2ccccc2)c1Cl ZINC001180409844 910151323 /nfs/dbraw/zinc/15/13/23/910151323.db2.gz GNIBHLKNJHLLRW-UHFFFAOYSA-N 0 0 376.243 3.874 20 10 GHCDRN C[C@H](NC(=O)C(=O)Nc1ccc(OC2CCC2)c(F)c1)c1ccc(N(C)C)cc1 ZINC000773859489 910161331 /nfs/dbraw/zinc/16/13/31/910161331.db2.gz UUFOZIWXYRZCDF-AWEZNQCLSA-N 0 0 399.466 3.639 20 10 GHCDRN C[C@@H](NC(=O)C(=O)Nc1cccc(OC2CCCC2)c1)c1ccc(N(C)C)cc1 ZINC000773859015 910172178 /nfs/dbraw/zinc/17/21/78/910172178.db2.gz SVOMPNSDGIZIFT-MRXNPFEDSA-N 0 0 395.503 3.890 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)C1CCN(C(=O)C(C)C)CC1 ZINC001180847623 910393563 /nfs/dbraw/zinc/39/35/63/910393563.db2.gz HHBZOUWBVAQZGH-HXUWFJFHSA-N 0 0 386.536 3.643 20 10 GHCDRN COc1ccccc1-c1[nH]nc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1C ZINC001180896473 910443007 /nfs/dbraw/zinc/44/30/07/910443007.db2.gz LEUBSTWESVALQR-UHFFFAOYSA-N 0 0 378.392 3.808 20 10 GHCDRN COc1cccc(CNC(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)c1O ZINC000801889251 921582874 /nfs/dbraw/zinc/58/28/74/921582874.db2.gz YAWAGVIVJDWWQJ-UHFFFAOYSA-N 0 0 397.353 3.613 20 10 GHCDRN Cc1cc(C(=O)CN2CCC3(CCN(C)C3=O)CC2)c(C)n1-c1ccccc1C ZINC000773925413 910803353 /nfs/dbraw/zinc/80/33/53/910803353.db2.gz YQGIUMTZOOWIES-UHFFFAOYSA-N 0 0 393.531 3.530 20 10 GHCDRN C[NH+]1CCC(N(Cc2ccco2)Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001181534233 910824219 /nfs/dbraw/zinc/82/42/19/910824219.db2.gz HPISFTCKJYZWAK-UHFFFAOYSA-N 0 0 397.288 3.983 20 10 GHCDRN Nc1ccc2c(c1NC(=O)[C@@H]1CCc3ccccc31)C(=O)c1ccccc1C2=O ZINC001181761486 910966086 /nfs/dbraw/zinc/96/60/86/910966086.db2.gz JNRMWCGKDKBGIF-QGZVFWFLSA-N 0 0 382.419 3.713 20 10 GHCDRN CCCCOc1ccc(C(=O)NCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773990631 911239488 /nfs/dbraw/zinc/23/94/88/911239488.db2.gz WBNPYGZCSGGGQV-KRWDZBQOSA-N 0 0 397.519 3.539 20 10 GHCDRN CCOc1ccccc1[C@H](CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)NC(C)=O ZINC000773992907 911242312 /nfs/dbraw/zinc/24/23/12/911242312.db2.gz GORFOKIPNWRYEA-KKSFZXQISA-N 0 0 397.519 3.596 20 10 GHCDRN COc1c2ccccc2[nH]c1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000795592858 911384744 /nfs/dbraw/zinc/38/47/44/911384744.db2.gz PYNOZXRVAMBSMB-OAHLLOKOSA-N 0 0 379.460 3.504 20 10 GHCDRN CC1CCN(C(=O)C2CC[NH+](Cc3cccc(Br)c3[O-])CC2)CC1 ZINC000092145219 911423151 /nfs/dbraw/zinc/42/31/51/911423151.db2.gz SGVARSFOSZPCQJ-UHFFFAOYSA-N 0 0 395.341 3.625 20 10 GHCDRN Cc1ccc(C(=O)Nc2cc(I)ccc2C)c(O)c1O ZINC000774203882 911485347 /nfs/dbraw/zinc/48/53/47/911485347.db2.gz YKPYIKZVFGVINQ-UHFFFAOYSA-N 0 0 383.185 3.572 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000283386769 911490834 /nfs/dbraw/zinc/49/08/34/911490834.db2.gz DONRLRHUJRFWME-UHFFFAOYSA-N 0 0 384.402 3.656 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(Cl)c2ccccc2n1 ZINC000774380206 911688994 /nfs/dbraw/zinc/68/89/94/911688994.db2.gz 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Cc1cc(C(=O)COC(=O)c2ccc(C)cn2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000753484592 929369728 /nfs/dbraw/zinc/36/97/28/929369728.db2.gz DRBOHEDVUYQNAW-UHFFFAOYSA-N 0 0 392.411 3.566 20 10 GHCDRN C[C@@H]1OCC[C@]1(C)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000753575135 929426504 /nfs/dbraw/zinc/42/65/04/929426504.db2.gz GKGNWNVSYXQRJC-SDBXPKJASA-N 0 0 379.092 3.574 20 10 GHCDRN Cc1cc(C(=O)NCc2ccc(C(N)=O)nc2)c(C)n1-c1cccc(C(C)C)c1 ZINC000753647095 929460410 /nfs/dbraw/zinc/46/04/10/929460410.db2.gz GFRGJEFXROXFMY-UHFFFAOYSA-N 0 0 390.487 3.641 20 10 GHCDRN CC(=O)c1cc(F)cc(CN2CCc3c(ncn3-c3ccc(C)cc3)C2)c1O ZINC000753791057 929539190 /nfs/dbraw/zinc/53/91/90/929539190.db2.gz GBWDTEARDIYVBK-UHFFFAOYSA-N 0 0 379.435 3.786 20 10 GHCDRN COc1ccc(N2CCN(C(=O)NC[C@@H](C)c3ccc(F)cc3)CC2)cc1F ZINC000753930456 929597759 /nfs/dbraw/zinc/59/77/59/929597759.db2.gz NVWQIRMAGZBRRO-OAHLLOKOSA-N 0 0 389.446 3.609 20 10 GHCDRN O=C(NCCCSc1nccs1)Nc1ccc(N2CCCC2=O)cc1 ZINC000753944498 929607094 /nfs/dbraw/zinc/60/70/94/929607094.db2.gz BMCMUDSBZDLVKO-UHFFFAOYSA-N 0 0 376.507 3.574 20 10 GHCDRN CCOc1cccc(NC(=S)N2CCN(c3ccc(OC)c(F)c3)CC2)c1 ZINC000753962666 929613544 /nfs/dbraw/zinc/61/35/44/929613544.db2.gz OVGGULMKKBHTBM-UHFFFAOYSA-N 0 0 389.496 3.752 20 10 GHCDRN Cc1oc2c(ccc([O-])c2C[N@H+]2CCOC[C@@H](C)C2)c(=O)c1-c1ccccc1 ZINC000753986335 929622747 /nfs/dbraw/zinc/62/27/47/929622747.db2.gz MLKGTFDHFRZRFO-HNNXBMFYSA-N 0 0 379.456 3.942 20 10 GHCDRN Cc1nn(C)c(C)c1NC(=O)CN(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000757272597 929684797 /nfs/dbraw/zinc/68/47/97/929684797.db2.gz BFLIOZHGYPRJSA-KRWDZBQOSA-N 0 0 392.503 3.944 20 10 GHCDRN CN1C(=O)/C(=C\c2cccc3c2N(C(=O)OC(C)(C)C)CC3)SC1=S ZINC000757526229 929724770 /nfs/dbraw/zinc/72/47/70/929724770.db2.gz LUEAJMKBOZNWOP-JLHYYAGUSA-N 0 0 376.503 3.815 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCNc2cccc(Br)c2)c1 ZINC000757628311 929750193 /nfs/dbraw/zinc/75/01/93/929750193.db2.gz HBFIYGRYMRZHOB-LBPRGKRZSA-N 0 0 393.281 3.704 20 10 GHCDRN COc1ccc(-c2cncc(C(=O)NCc3ccc(N(C)C)c(F)c3)c2)cc1 ZINC000757628165 929750252 /nfs/dbraw/zinc/75/02/52/929750252.db2.gz VQBIKQSNYRZBPA-UHFFFAOYSA-N 0 0 379.435 3.892 20 10 GHCDRN CC1(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCCCC1 ZINC000757633484 929752682 /nfs/dbraw/zinc/75/26/82/929752682.db2.gz SUBGLIBFKLHIAF-UHFFFAOYSA-N 0 0 377.504 3.556 20 10 GHCDRN COc1ccc(N(C)CC(=O)NCCc2ccc(OC(F)F)cc2)cc1Cl ZINC000757857095 929827828 /nfs/dbraw/zinc/82/78/28/929827828.db2.gz JPZJMVVSSPXSFF-UHFFFAOYSA-N 0 0 398.837 3.745 20 10 GHCDRN CCCCCC(=O)Nc1ccc(C(=O)COC(=O)c2cccc(O)c2O)cc1 ZINC000758572850 930087620 /nfs/dbraw/zinc/08/76/20/930087620.db2.gz NQKKXXFUODDPQC-UHFFFAOYSA-N 0 0 385.416 3.656 20 10 GHCDRN C[C@]1(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCCS1 ZINC000758816234 930177937 /nfs/dbraw/zinc/17/79/37/930177937.db2.gz VMNJUTBUNPEILC-AUUYWEPGSA-N 0 0 399.507 3.842 20 10 GHCDRN Cc1cc(CC(=O)N[C@@H]2CCc3c[nH]nc3C2)c(C)n1-c1ccc(Cl)cc1 ZINC000758827278 930183843 /nfs/dbraw/zinc/18/38/43/930183843.db2.gz ZUCVLDPCEOGZGS-GOSISDBHSA-N 0 0 382.895 3.687 20 10 GHCDRN Cc1cc(C(=O)COc2cccc(F)c2C(N)=O)c(C)n1-c1ccccc1C ZINC000758902709 930206028 /nfs/dbraw/zinc/20/60/28/930206028.db2.gz IQNMYHJJQMWQHF-UHFFFAOYSA-N 0 0 380.419 3.902 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C ZINC000758969574 930232616 /nfs/dbraw/zinc/23/26/16/930232616.db2.gz NCUBPJPVMAQZJA-UHFFFAOYSA-N 0 0 380.488 3.948 20 10 GHCDRN COc1ccc(C(=O)CCCCC(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000759047795 930256356 /nfs/dbraw/zinc/25/63/56/930256356.db2.gz XEBXMRUDBIAZAG-UHFFFAOYSA-N 0 0 386.467 3.960 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000759113034 930278060 /nfs/dbraw/zinc/27/80/60/930278060.db2.gz FLGKIEXXSOQYCD-QFIPXVFZSA-N 0 0 382.504 3.614 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cn(Cc3cccc(F)c3)nn2)cc1 ZINC000759118298 930279488 /nfs/dbraw/zinc/27/94/88/930279488.db2.gz SFHSIKPZBSBJPP-UHFFFAOYSA-N 0 0 395.482 3.584 20 10 GHCDRN COc1cc(N2CCN(C(=O)[C@H](C)CCC(C)(C)C)CC2)cc(OC)c1OC ZINC000759242044 930318190 /nfs/dbraw/zinc/31/81/90/930318190.db2.gz LQTFHGJVNHSNAK-MRXNPFEDSA-N 0 0 392.540 3.823 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)c2ccc(C3N=NC(=S)O3)cc2)C2CC2)cc1 ZINC000759428624 930365476 /nfs/dbraw/zinc/36/54/76/930365476.db2.gz RFCJLXWAJCRUOW-UHFFFAOYSA-N 0 0 394.500 3.896 20 10 GHCDRN CC(C)Oc1ccc(CCNC(=O)NCCCSc2nccs2)cc1 ZINC000759551982 930400478 /nfs/dbraw/zinc/40/04/78/930400478.db2.gz WHPXDQDGMRKBIE-UHFFFAOYSA-N 0 0 379.551 3.954 20 10 GHCDRN COc1ccc(C[C@H](C)CNC(=O)NCCCSc2nccs2)cc1 ZINC000759559446 930403143 /nfs/dbraw/zinc/40/31/43/930403143.db2.gz PGOYRFWMWKQZPV-AWEZNQCLSA-N 0 0 379.551 3.812 20 10 GHCDRN CCN(c1ccc(NC(=O)COC(=O)/C=C/c2ccc(O)c(O)c2)cc1)C(C)C ZINC000759582053 930412487 /nfs/dbraw/zinc/41/24/87/930412487.db2.gz YLJZRHLYLIAACW-WUXMJOGZSA-N 0 0 398.459 3.528 20 10 GHCDRN C[C@@H](OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)c1ccc(Br)cc1 ZINC000759588875 930415395 /nfs/dbraw/zinc/41/53/95/930415395.db2.gz OYKZWLGHFNXDHC-IMAIQDNJSA-N 0 0 391.217 3.688 20 10 GHCDRN CC(C)C[C@@H](NC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000759590960 930416016 /nfs/dbraw/zinc/41/60/16/930416016.db2.gz BOOHSAMKHYVRLK-SXAWMYDMSA-N 0 0 383.444 3.558 20 10 GHCDRN C[C@H]1CCN(C(=O)COC(=O)/C=C/c2ccc(O)c(O)c2)c2ccccc2S1 ZINC000759593105 930416726 /nfs/dbraw/zinc/41/67/26/930416726.db2.gz IWOAKWSMQOHIPT-KGXGESDWSA-N 0 0 399.468 3.572 20 10 GHCDRN CC(C)[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)N1CCCc2ccccc21 ZINC000759594565 930418211 /nfs/dbraw/zinc/41/82/11/930418211.db2.gz HCWAKTLFNHAUNB-HLXJENQHSA-N 0 0 395.455 3.658 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)O[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000759595766 930418954 /nfs/dbraw/zinc/41/89/54/930418954.db2.gz LYEMPCFEGTVPHS-IQBZNYMQSA-N 0 0 387.819 3.503 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000780563798 930548280 /nfs/dbraw/zinc/54/82/80/930548280.db2.gz YQWGWRGMRKLOJE-CQSZACIVSA-N 0 0 399.875 3.833 20 10 GHCDRN Fc1cccc(Cn2cnc(CNCc3ccc(N4CCCCC4)cc3)n2)c1 ZINC000780591948 930555429 /nfs/dbraw/zinc/55/54/29/930555429.db2.gz XRTNFSLITQDMSN-UHFFFAOYSA-N 0 0 379.483 3.746 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3cc(OC)c(C(C)C)c(OC)c3)CC2)cc1 ZINC000781103896 930700642 /nfs/dbraw/zinc/70/06/42/930700642.db2.gz FCKLIGCZPKCROJ-UHFFFAOYSA-N 0 0 398.503 3.798 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCc2ccc(C)nc2N2CCCC2)cc1 ZINC000781365497 930816996 /nfs/dbraw/zinc/81/69/96/930816996.db2.gz RGAGPEYGRSHPFX-UHFFFAOYSA-N 0 0 395.551 3.836 20 10 GHCDRN CC[C@@H]1C[C@@H](CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CCO1 ZINC000781608203 930904033 /nfs/dbraw/zinc/90/40/33/930904033.db2.gz KHHVRQMKXUPASA-MJQMVNBJSA-N 0 0 392.515 3.651 20 10 GHCDRN Cc1csc(N2CCN(Cc3cc(C)cc(Br)c3O)CC2)n1 ZINC000781895977 931016911 /nfs/dbraw/zinc/01/69/11/931016911.db2.gz FUYKBHHKLCDAGI-UHFFFAOYSA-N 0 0 382.327 3.550 20 10 GHCDRN O=C(COC(=O)c1ccccc1COc1ccccc1)c1ccc(O)c(O)c1 ZINC000782370609 931195116 /nfs/dbraw/zinc/19/51/16/931195116.db2.gz WDIFGONBZLKMPY-UHFFFAOYSA-N 0 0 378.380 3.717 20 10 GHCDRN CCN1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000782394395 931205381 /nfs/dbraw/zinc/20/53/81/931205381.db2.gz VSESVCOXRPPPLF-VQIMIIECSA-N 0 0 395.381 3.643 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000782547034 931265171 /nfs/dbraw/zinc/26/51/71/931265171.db2.gz NPUWNICZNHHENJ-ZIAGYGMSSA-N 0 0 399.875 3.879 20 10 GHCDRN CCC(C)(C)NC(=O)[C@H](OC(=O)c1sc2nc(C)cc(C)c2c1N)C(C)C ZINC000924237703 931284600 /nfs/dbraw/zinc/28/46/00/931284600.db2.gz ZLHIUAIHJINJTD-OAHLLOKOSA-N 0 0 391.537 3.982 20 10 GHCDRN COCC[C@H](C)OC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000782676538 931299587 /nfs/dbraw/zinc/29/95/87/931299587.db2.gz IYPJKOFGEBWSEW-SEVUAYLXSA-N 0 0 399.559 3.698 20 10 GHCDRN Cc1cn2c(n1)CN(C(=O)NCc1ccc(N(C)C3CCCCC3)cc1)CC2 ZINC000782719951 931313765 /nfs/dbraw/zinc/31/37/65/931313765.db2.gz ZTOMXSQPQDPCHB-UHFFFAOYSA-N 0 0 381.524 3.686 20 10 GHCDRN O=C(NCc1ccccc1O)C(=O)Nc1ccc(N2CCCCCCC2)c(F)c1 ZINC000782796117 931337089 /nfs/dbraw/zinc/33/70/89/931337089.db2.gz VWGOUDPRNVSKIE-UHFFFAOYSA-N 0 0 399.466 3.557 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000783297232 931513836 /nfs/dbraw/zinc/51/38/36/931513836.db2.gz HBPBWPWEWKHVOR-GDBMZVCRSA-N 0 0 392.496 3.619 20 10 GHCDRN CC(=O)N1CCN(c2cccc(N[C@H]3C[C@H](C)c4c3c(O)ccc4F)c2)CC1 ZINC000783299114 931514200 /nfs/dbraw/zinc/51/42/00/931514200.db2.gz RESXMRSZQLVXTG-LIRRHRJNSA-N 0 0 383.467 3.860 20 10 GHCDRN CSc1nnc(CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)s1 ZINC000783873948 931700970 /nfs/dbraw/zinc/70/09/70/931700970.db2.gz GJCXLBSMEUUHMZ-UHFFFAOYSA-N 0 0 376.482 3.737 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(O[C@H](C)CC)c1 ZINC000784027449 931759910 /nfs/dbraw/zinc/75/99/10/931759910.db2.gz HNAWXEUFQAZGMX-MRXNPFEDSA-N 0 0 384.476 3.947 20 10 GHCDRN COc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc(OC)c1 ZINC000784058159 931769515 /nfs/dbraw/zinc/76/95/15/931769515.db2.gz NBENMFCFUBYBDU-UHFFFAOYSA-N 0 0 397.475 3.590 20 10 GHCDRN Cc1ccncc1/C=C\C(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000784068558 931774078 /nfs/dbraw/zinc/77/40/78/931774078.db2.gz SNEJKQKJWQSGIY-OLHLWXQYSA-N 0 0 375.472 3.546 20 10 GHCDRN Cc1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)ccc1N(C)C ZINC000784108171 931786468 /nfs/dbraw/zinc/78/64/68/931786468.db2.gz FNTPAVALFMPMDD-UHFFFAOYSA-N 0 0 394.519 3.805 20 10 GHCDRN CS[C@@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC000784246849 931832051 /nfs/dbraw/zinc/83/20/51/931832051.db2.gz NVQZIZVYONRXBE-QAPCUYQASA-N 0 0 379.570 3.661 20 10 GHCDRN Cc1cc(C(=O)CN2CCOCC3(CCOCC3)C2)c(C)n1-c1ccccc1C ZINC000784606266 931955042 /nfs/dbraw/zinc/95/50/42/931955042.db2.gz HMWADTCIXLLYSU-UHFFFAOYSA-N 0 0 396.531 3.714 20 10 GHCDRN CO[C@@H](C)c1nc(COC(=O)c2csc(Cc3ccc(N)cc3)n2)cs1 ZINC000784673042 931974256 /nfs/dbraw/zinc/97/42/56/931974256.db2.gz XBVFHKBBHKZJSV-NSHDSACASA-N 0 0 389.502 3.837 20 10 GHCDRN CC[C@H]([NH2+]C[C@H](c1ccc(OC)cc1)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000796667942 932023294 /nfs/dbraw/zinc/02/32/94/932023294.db2.gz XNWDXQUIMCQOSA-LEWJYISDSA-N 0 0 388.483 3.654 20 10 GHCDRN CC[C@@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1ccc(F)cc1[O-] ZINC000796703566 932036253 /nfs/dbraw/zinc/03/62/53/932036253.db2.gz KGZXPSNJMNNXGS-UYAOXDASSA-N 0 0 386.467 3.681 20 10 GHCDRN CC[C@H]([NH2+]C[C@H](c1ccc(OC)c(OC)c1)N(C)C)c1ccc(F)cc1[O-] ZINC000796800806 932072701 /nfs/dbraw/zinc/07/27/01/932072701.db2.gz YJBPMEJUDFJZES-ZWKOTPCHSA-N 0 0 376.472 3.892 20 10 GHCDRN Cc1cc(F)ccc1[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000926206954 932082266 /nfs/dbraw/zinc/08/22/66/932082266.db2.gz QQQARGXCVZBZQI-QGZVFWFLSA-N 0 0 385.483 3.873 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)CO[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000797445005 932287101 /nfs/dbraw/zinc/28/71/01/932287101.db2.gz VNHQVCICEZNYKU-HSZRJFAPSA-N 0 0 394.515 3.874 20 10 GHCDRN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N[C@@H]1C[C@H]1C1CC1 ZINC000797577919 932333430 /nfs/dbraw/zinc/33/34/30/932333430.db2.gz QSNWPILZLKJIQX-AVWIDUKFSA-N 0 0 392.571 3.644 20 10 GHCDRN COc1ccc(CNC(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2F)c(O)c1 ZINC000797638652 932353233 /nfs/dbraw/zinc/35/32/33/932353233.db2.gz JHSVDYMKUQOIJD-UHFFFAOYSA-N 0 0 390.411 3.817 20 10 GHCDRN COc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(O)c1 ZINC000797642760 932353842 /nfs/dbraw/zinc/35/38/42/932353842.db2.gz KKNLYBGWTRUNPP-UHFFFAOYSA-N 0 0 385.298 3.650 20 10 GHCDRN CCCc1c(NC(=O)NCc2ccc(OC)cc2O)cnn1-c1ccc(F)cc1 ZINC000797650021 932356343 /nfs/dbraw/zinc/35/63/43/932356343.db2.gz FDMFJSWQLQVKMU-UHFFFAOYSA-N 0 0 398.438 4.000 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)N[C@H](c1cc(F)ccc1F)C(F)F ZINC000797651977 932356778 /nfs/dbraw/zinc/35/67/78/932356778.db2.gz VTZILZWNLWHYFB-XXFAHNHDSA-N 0 0 386.345 3.613 20 10 GHCDRN COc1cc(NC(=O)NCc2ccc(N(C)C)c(F)c2)c(OC)c(C)c1OC ZINC000797677851 932365499 /nfs/dbraw/zinc/36/54/99/932365499.db2.gz ANPUJISTQZVNKM-UHFFFAOYSA-N 0 0 391.443 3.548 20 10 GHCDRN CC(C)n1ncc2cc(C=CC(=O)N3CCCCc4sccc43)c(=O)[nH]c21 ZINC000798046561 932507961 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20 10 GHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCN1CCN(c2ccc(F)cc2)CC1 ZINC000725845188 1022386253 /nfs/dbraw/zinc/38/62/53/1022386253.db2.gz RLZCZIJDULTPLP-UHFFFAOYSA-N 0 0 398.309 3.750 20 10 GHCDRN Cc1c(O)ccc(CN2CCn3c(COCC4CCCC4)cnc3[C@@H]2C)c1O ZINC001140744699 1022411335 /nfs/dbraw/zinc/41/13/35/1022411335.db2.gz HXINJQFXJBLEGG-INIZCTEOSA-N 0 0 385.508 3.886 20 10 GHCDRN Cc1cc(C(=O)COC(=O)C2CC(F)(F)C2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000754130990 1022502364 /nfs/dbraw/zinc/50/23/64/1022502364.db2.gz XIVJFEQKKWLIFA-UHFFFAOYSA-N 0 0 391.370 3.594 20 10 GHCDRN COc1ccc(C2(C(=O)NCc3ccc(N(C)C)c(F)c3)CCC2)cc1OC ZINC000754199760 1022533640 /nfs/dbraw/zinc/53/36/40/1022533640.db2.gz DULTVJYCRQFKTP-UHFFFAOYSA-N 0 0 386.467 3.647 20 10 GHCDRN COc1ccc(C2(C(=O)NCc3ccc4c(c3)CCCN4C)CCC2)cc1OC ZINC000754199457 1022534063 /nfs/dbraw/zinc/53/40/63/1022534063.db2.gz CXYPZERARDFEND-UHFFFAOYSA-N 0 0 394.515 3.824 20 10 GHCDRN C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1c(O)cccc1Br ZINC001204749813 1033064883 /nfs/dbraw/zinc/06/48/83/1033064883.db2.gz KSRKZRYKJUFBOD-GFCCVEGCSA-N 0 0 385.302 3.596 20 10 GHCDRN CC(C)(C)n1ncc(C(=O)NCCc2ccc(O)c(O)c2)c1-c1ccccc1 ZINC000754274100 1022575557 /nfs/dbraw/zinc/57/55/57/1022575557.db2.gz IZBRIJJYTZUCPH-UHFFFAOYSA-N 0 0 379.460 3.689 20 10 GHCDRN CCN(CC)c1ccc(CN2CCNC(=O)[C@@H]2c2ccc(Cl)cc2)c(O)c1 ZINC001140856977 1022713846 /nfs/dbraw/zinc/71/38/46/1022713846.db2.gz KCUGYRJIQPKKLX-FQEVSTJZSA-N 0 0 387.911 3.565 20 10 GHCDRN COc1cccc2c1CN(C(=O)NCc1ccc(N3CCSCC3)cc1)CC2 ZINC000836241051 1022757194 /nfs/dbraw/zinc/75/71/94/1022757194.db2.gz ABVHNQWTURDDNH-UHFFFAOYSA-N 0 0 397.544 3.516 20 10 GHCDRN CC(C)Oc1cccnc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000754548402 1022763845 /nfs/dbraw/zinc/76/38/45/1022763845.db2.gz NTKYUCNRIGQYSI-UHFFFAOYSA-N 0 0 386.407 3.897 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)NCc1c(F)cccc1-n1cccn1 ZINC000836244812 1022764453 /nfs/dbraw/zinc/76/44/53/1022764453.db2.gz WPFPRTKFIPCYBH-UHFFFAOYSA-N 0 0 393.466 3.611 20 10 GHCDRN CCO[C@@H](C)c1noc(CN(C)Cc2cc(OC)cc(C(C)(C)C)c2O)n1 ZINC000754740819 1022873769 /nfs/dbraw/zinc/87/37/69/1022873769.db2.gz IKSHXRMMWDZIGY-ZDUSSCGKSA-N 0 0 377.485 3.811 20 10 GHCDRN CN(C)c1ccc(CN2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)c(Cl)c1 ZINC001140922661 1022892051 /nfs/dbraw/zinc/89/20/51/1022892051.db2.gz YHGKDYBEQBCFFR-PCCBWWKXSA-N 0 0 387.911 3.612 20 10 GHCDRN CN(C)c1ccc(CN2CCCn3cnc(Cn4cccc4)c3C2)c(Cl)c1 ZINC001140924831 1022901281 /nfs/dbraw/zinc/90/12/81/1022901281.db2.gz UDLNGXPYDZHOIY-UHFFFAOYSA-N 0 0 383.927 3.858 20 10 GHCDRN COc1ccc(O)c(CNCc2cn(-c3cccc(Cl)c3Cl)nn2)c1 ZINC000754828980 1022918378 /nfs/dbraw/zinc/91/83/78/1022918378.db2.gz JLSJESRSEQOWMS-UHFFFAOYSA-N 0 0 379.247 3.578 20 10 GHCDRN Cc1ccc(Oc2ccc(NC(=O)NCCc3ccc(O)c(O)c3)cn2)cc1 ZINC000755013434 1023020942 /nfs/dbraw/zinc/02/09/42/1023020942.db2.gz QGTOSTKJVRBJRY-UHFFFAOYSA-N 0 0 379.416 3.958 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2cc(C)nc(C)n2)c(C)n1-c1ccccc1C ZINC000755168776 1023107666 /nfs/dbraw/zinc/10/76/66/1023107666.db2.gz PHGFHICILADWLB-UHFFFAOYSA-N 0 0 377.444 3.849 20 10 GHCDRN CC(C)Oc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)n1 ZINC000755172448 1023108798 /nfs/dbraw/zinc/10/87/98/1023108798.db2.gz MFFJDMNROAOEKR-FQEVSTJZSA-N 0 0 397.519 3.756 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)Cc3ccc(F)cc3F)cc2F)C[C@@H](C)O1 ZINC000755199764 1023121586 /nfs/dbraw/zinc/12/15/86/1023121586.db2.gz GCOUHPKBBWIGBC-ZIAGYGMSSA-N 0 0 392.421 3.576 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NC[C@@]3(C)CC3(Cl)Cl)CC2)cc1 ZINC000836584511 1023145830 /nfs/dbraw/zinc/14/58/30/1023145830.db2.gz MNRPJUCWISQRIP-QGZVFWFLSA-N 0 0 386.323 3.501 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCC1(C2CCC2)CCC1 ZINC000836672394 1023235040 /nfs/dbraw/zinc/23/50/40/1023235040.db2.gz PDPNZOHTVRJPGE-UHFFFAOYSA-N 0 0 385.552 3.665 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccnc(Br)c1C ZINC000836679052 1023246402 /nfs/dbraw/zinc/24/64/02/1023246402.db2.gz XVEGHHJJOVIFDJ-UHFFFAOYSA-N 0 0 377.286 3.849 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3cncc(Cl)c3C)CC2)cc1F ZINC000836708834 1023285678 /nfs/dbraw/zinc/28/56/78/1023285678.db2.gz YQBZMBBNCYBVCZ-UHFFFAOYSA-N 0 0 378.835 3.545 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc2c(c1)CCC2=O ZINC000836714022 1023291829 /nfs/dbraw/zinc/29/18/29/1023291829.db2.gz SIOGQUHNAGRLHT-UHFFFAOYSA-N 0 0 381.501 3.690 20 10 GHCDRN C[C@@H](SC1CCOCC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000755862414 1023405957 /nfs/dbraw/zinc/40/59/57/1023405957.db2.gz OLDAZERBTKGRIF-CYBMUJFWSA-N 0 0 395.480 3.701 20 10 GHCDRN COC(=O)c1cccc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)c1C ZINC000755984828 1023467418 /nfs/dbraw/zinc/46/74/18/1023467418.db2.gz VIUZOVNJWVYUCJ-UHFFFAOYSA-N 0 0 377.462 3.720 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2CCO[C@@H](c3ccnn3C)C2)c(C)n1-c1ccccc1C ZINC000836976212 1023537192 /nfs/dbraw/zinc/53/71/92/1023537192.db2.gz XDFDSXHZMFLBER-XMSQKQJNSA-N 0 0 392.503 3.786 20 10 GHCDRN C[C@H]([NH2+]CC(C)(C)N(C)C)c1cc(Br)cc(Br)c1[O-] ZINC000756344089 1023597450 /nfs/dbraw/zinc/59/74/50/1023597450.db2.gz QHGPBMPVASUSJJ-VIFPVBQESA-N 0 0 394.151 3.908 20 10 GHCDRN C[C@@H]([NH2+]CCCOC[C@@H]1CCCO1)c1cc(Br)c(F)cc1[O-] ZINC000756359678 1023605163 /nfs/dbraw/zinc/60/51/63/1023605163.db2.gz QIMIPFJMXNPRRK-NEPJUHHUSA-N 0 0 376.266 3.530 20 10 GHCDRN CNC(=O)c1ccc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])cc1 ZINC000756394391 1023626918 /nfs/dbraw/zinc/62/69/18/1023626918.db2.gz CVWXDGFIGMDGKL-SNVBAGLBSA-N 0 0 381.245 3.504 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(N3CCCCCC3)nc2)c1 ZINC000756415527 1023636949 /nfs/dbraw/zinc/63/69/49/1023636949.db2.gz CASMYSCZGDOSAE-INIZCTEOSA-N 0 0 383.492 3.805 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)CN(C)C(=O)OCc2ccccc2)C2CC2)cc1 ZINC000756436201 1023647657 /nfs/dbraw/zinc/64/76/57/1023647657.db2.gz IUMLMWVSLMUVHT-UHFFFAOYSA-N 0 0 395.503 3.512 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1cc(Br)cc(F)c1[O-] ZINC000756503786 1023687619 /nfs/dbraw/zinc/68/76/19/1023687619.db2.gz PPBDVFSHYHSKMD-WCBMZHEXSA-N 0 0 385.199 3.581 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCN(c3ccccc3OC)CC2)c1 ZINC000756507795 1023689141 /nfs/dbraw/zinc/68/91/41/1023689141.db2.gz FQFIILFQPHVJKY-OAHLLOKOSA-N 0 0 384.476 3.507 20 10 GHCDRN COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000756526913 1023698102 /nfs/dbraw/zinc/69/81/02/1023698102.db2.gz IBWOAVCCWOFQEX-GXTWGEPZSA-N 0 0 391.855 3.892 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756563825 1023714982 /nfs/dbraw/zinc/71/49/82/1023714982.db2.gz NPIUZSYBROBXBH-UONOGXRCSA-N 0 0 391.418 3.894 20 10 GHCDRN C[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1cc(Br)c(F)cc1[O-] ZINC000756571649 1023717065 /nfs/dbraw/zinc/71/70/65/1023717065.db2.gz CMTJOGLBTMZVDP-LLVKDONJSA-N 0 0 387.293 3.593 20 10 GHCDRN C[C@H]([NH2+]C[C@@]1(C)CCOC1)c1cc(Br)cc(Br)c1[O-] ZINC000756575878 1023717701 /nfs/dbraw/zinc/71/77/01/1023717701.db2.gz QXDHOMWRIYBGRO-LKFCYVNXSA-N 0 0 393.119 3.994 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC000756642612 1023751078 /nfs/dbraw/zinc/75/10/78/1023751078.db2.gz OOVQZXBBCZWYAT-ABSDTBQOSA-N 0 0 382.504 3.883 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)c1 ZINC000756705532 1023782480 /nfs/dbraw/zinc/78/24/80/1023782480.db2.gz KOXIEGKWJSKKKH-GTNSWQLSSA-N 0 0 383.366 3.582 20 10 GHCDRN CC(C)[C@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1[O-])C(=O)N1CCCC1 ZINC000756707547 1023783025 /nfs/dbraw/zinc/78/30/25/1023783025.db2.gz ZCYLRJGFYAMLJW-BZNIZROVSA-N 0 0 387.293 3.591 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCOc2cccc3cccnc32)c1 ZINC000756709450 1023784186 /nfs/dbraw/zinc/78/41/86/1023784186.db2.gz ZNDLFIVRMBTDQV-OAHLLOKOSA-N 0 0 380.444 3.847 20 10 GHCDRN O=C(NCCC1Cc2ccccc2C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000756728173 1023790659 /nfs/dbraw/zinc/79/06/59/1023790659.db2.gz DZLUAYKFPNYYNM-QFIPXVFZSA-N 0 0 394.515 3.888 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1cc(Br)c(F)cc1[O-] ZINC000756757095 1023802437 /nfs/dbraw/zinc/80/24/37/1023802437.db2.gz BRMGPQQLNLTSGY-USBNGQNGSA-N 0 0 390.318 3.999 20 10 GHCDRN C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cc(Br)cc(Br)c1[O-] ZINC000756771347 1023808237 /nfs/dbraw/zinc/80/82/37/1023808237.db2.gz VYWYSJKJRMJSDW-LSJOCFKGSA-N 0 0 393.119 3.871 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756779170 1023812545 /nfs/dbraw/zinc/81/25/45/1023812545.db2.gz QPWCATQFICOFLJ-OWOPXTPDSA-N 0 0 377.391 3.675 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000756785046 1023815253 /nfs/dbraw/zinc/81/52/53/1023815253.db2.gz RTIRKYBGVSCJIQ-YHJVDBJQSA-N 0 0 388.895 3.928 20 10 GHCDRN C[C@H](C(=O)Nc1ccc(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1)n1cncn1 ZINC000756849437 1023834415 /nfs/dbraw/zinc/83/44/15/1023834415.db2.gz ANWKOJCOUOGSHR-PBFPGSCMSA-N 0 0 395.438 3.983 20 10 GHCDRN COc1ccc(N[C@H]2C[C@H](C)c3c2c(O)ccc3F)cc1NS(C)(=O)=O ZINC000756869390 1023840720 /nfs/dbraw/zinc/84/07/20/1023840720.db2.gz VJKXQAPNQMRQAK-HZMBPMFUSA-N 0 0 380.441 3.572 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(F)cc(Cl)c1 ZINC000756953012 1023883058 /nfs/dbraw/zinc/88/30/58/1023883058.db2.gz IKSKEKGGLXHERU-UHFFFAOYSA-N 0 0 380.822 3.509 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000756967285 1023890452 /nfs/dbraw/zinc/89/04/52/1023890452.db2.gz MEEPBBCCFOWKKN-UHFFFAOYSA-N 0 0 376.844 3.656 20 10 GHCDRN Cc1cc(C(=O)NCCCO[C@H]2CCOC2)c(C)n1-c1ccc(Cl)cc1 ZINC000756988871 1023900011 /nfs/dbraw/zinc/90/00/11/1023900011.db2.gz GRPCFFPYMFGILJ-SFHVURJKSA-N 0 0 376.884 3.673 20 10 GHCDRN CS[C@@H](C)CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000757035107 1023914478 /nfs/dbraw/zinc/91/44/78/1023914478.db2.gz LJIBFLPSVYDFFY-WMLDXEAASA-N 0 0 395.569 3.576 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccccc1O)c1ccc(F)cc1F ZINC000830526526 1023968478 /nfs/dbraw/zinc/96/84/78/1023968478.db2.gz MZNZULMLFXNZKE-KRWDZBQOSA-N 0 0 392.402 3.553 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000830535167 1023972834 /nfs/dbraw/zinc/97/28/34/1023972834.db2.gz NINAKMAQUVAOHY-UHFFFAOYSA-N 0 0 378.460 3.602 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@@H]([C@H](O)C(F)(F)F)C2)c(C)n1-c1ccccc1C ZINC000837039882 1023973073 /nfs/dbraw/zinc/97/30/73/1023973073.db2.gz WJUGKUJOHNYBCC-QAPCUYQASA-N 0 0 380.410 3.788 20 10 GHCDRN CC(C)(C)OC(=O)N1CC[C@H](N(Cc2ccncc2)Cc2cc(O)ccc2O)C1 ZINC001141161277 1023986131 /nfs/dbraw/zinc/98/61/31/1023986131.db2.gz BWUXQINPWVDYRT-SFHVURJKSA-N 0 0 399.491 3.504 20 10 GHCDRN COCCOc1ccc(N2CCN(Cc3c(F)ccc(C)c3F)CC2)cc1 ZINC001138120782 1024157654 /nfs/dbraw/zinc/15/76/54/1024157654.db2.gz JCUHQKYENUVKOA-UHFFFAOYSA-N 0 0 376.447 3.621 20 10 GHCDRN CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CC[N@H+](Cc3cccc(F)c3[O-])C2)C1 ZINC001138123616 1024167054 /nfs/dbraw/zinc/16/70/54/1024167054.db2.gz CHXLSQFCQMJIOA-OXQOHEQNSA-N 0 0 382.451 3.702 20 10 GHCDRN CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2CN1Cc1cccc(F)c1O ZINC001138131279 1024186625 /nfs/dbraw/zinc/18/66/25/1024186625.db2.gz UZWWCOFMGRHGLQ-SFHVURJKSA-N 0 0 386.467 3.983 20 10 GHCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)c1cccc2c1OCCCO2 ZINC001156704136 1033195121 /nfs/dbraw/zinc/19/51/21/1033195121.db2.gz UWCYXQRIQTWPNW-CWVRCJGXSA-N 0 0 389.415 3.815 20 10 GHCDRN CC(=O)N(c1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1)[C@H]1C[C@H]1C ZINC001141327435 1024571028 /nfs/dbraw/zinc/57/10/28/1024571028.db2.gz FKKGOMFDADXDLK-XIKOKIGWSA-N 0 0 379.420 3.863 20 10 GHCDRN COc1ccc(CN2CCCc3cc(O)c(O)cc3C2)cc1Br ZINC001138296565 1024576749 /nfs/dbraw/zinc/57/67/49/1024576749.db2.gz RPFXPSQFZZVQGY-UHFFFAOYSA-N 0 0 378.266 3.817 20 10 GHCDRN CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@@H](C)C(=O)c2ccco2)C1 ZINC000837674613 1024625641 /nfs/dbraw/zinc/62/56/41/1024625641.db2.gz YVHOENYPLUOAOU-INIZCTEOSA-N 0 0 394.471 3.815 20 10 GHCDRN Cc1cc(C(=O)NO[C@H](CO)C(C)C)c(C)n1-c1ccc(Br)cc1 ZINC001141345296 1024642361 /nfs/dbraw/zinc/64/23/61/1024642361.db2.gz FPQMGVSDZJDTHE-QGZVFWFLSA-N 0 0 395.297 3.535 20 10 GHCDRN Cc1cc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c(Cl)cc1F ZINC000837708099 1024651966 /nfs/dbraw/zinc/65/19/66/1024651966.db2.gz RIMMBDPTZBIROH-UHFFFAOYSA-N 0 0 398.812 3.832 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)C12CC(c3ccccc3)(C1)C2 ZINC000837710630 1024653031 /nfs/dbraw/zinc/65/30/31/1024653031.db2.gz UQMSDLLBOINSDJ-UHFFFAOYSA-N 0 0 398.453 3.540 20 10 GHCDRN CO[C@H]1CCC[C@H](C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)C1 ZINC000837746213 1024676773 /nfs/dbraw/zinc/67/67/73/1024676773.db2.gz IUGNOTVABZSXNX-RDJZCZTQSA-N 0 0 388.439 3.559 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001141368741 1024746260 /nfs/dbraw/zinc/74/62/60/1024746260.db2.gz ADXCCENDUODHMT-DLBZAZTESA-N 0 0 396.712 3.986 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC001141374469 1024766736 /nfs/dbraw/zinc/76/67/36/1024766736.db2.gz JEYDQCOIHYTPSV-CQSZACIVSA-N 0 0 383.673 3.856 20 10 GHCDRN CCN(CC)c1ccc(CN2CC[C@@H]2N(C)C(=O)OC(C)(C)C)c(OC)c1 ZINC001138392075 1024769284 /nfs/dbraw/zinc/76/92/84/1024769284.db2.gz ORPXXRNFMRZYKR-LJQANCHMSA-N 0 0 377.529 3.940 20 10 GHCDRN CCCCOC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141376745 1024773735 /nfs/dbraw/zinc/77/37/35/1024773735.db2.gz CBZWPTJKBGFFCK-LLVKDONJSA-N 0 0 390.705 3.973 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N(C)CCc3ccccc3C)CC2)cc1 ZINC000838190897 1024986090 /nfs/dbraw/zinc/98/60/90/1024986090.db2.gz OBDXHDRAGNXTRW-UHFFFAOYSA-N 0 0 381.520 3.857 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N(C)C[C@@H](O)Cc3ccccc3)cc2)CC1 ZINC000838376749 1025094448 /nfs/dbraw/zinc/09/44/48/1025094448.db2.gz PJEVFVVHZDAFIZ-QHCPKHFHSA-N 0 0 395.547 3.668 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000838479425 1025161502 /nfs/dbraw/zinc/16/15/02/1025161502.db2.gz RBWVFXHHRSZJCF-UHFFFAOYSA-N 0 0 396.539 3.622 20 10 GHCDRN C[C@]1(F)CCCCN(Cc2ccc(N3CCOCC3)c(Br)c2)C1 ZINC001138676697 1025202134 /nfs/dbraw/zinc/20/21/34/1025202134.db2.gz RWBXLRVUTRTKNO-SFHVURJKSA-N 0 0 385.321 4.000 20 10 GHCDRN C[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(Br)c2)CC1(F)F ZINC001138676427 1025202383 /nfs/dbraw/zinc/20/23/83/1025202383.db2.gz IWNZEGVORUPBIK-CYBMUJFWSA-N 0 0 389.284 3.763 20 10 GHCDRN CO[C@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)Cc1ccccc1 ZINC000838643610 1025260718 /nfs/dbraw/zinc/26/07/18/1025260718.db2.gz DGVXOWLOZQBLRQ-QFIPXVFZSA-N 0 0 381.520 3.684 20 10 GHCDRN CSCC1CCC(NC(=O)NCc2cccc(Br)c2O)CC1 ZINC000838652109 1025265547 /nfs/dbraw/zinc/26/55/47/1025265547.db2.gz JESKIDIMAMJEEA-UHFFFAOYSA-N 0 0 387.343 3.876 20 10 GHCDRN CCOC(=O)[C@]1(COC)CCCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001138733281 1025266871 /nfs/dbraw/zinc/26/68/71/1025266871.db2.gz NBGCZALDXLNSKL-HSZRJFAPSA-N 0 0 398.503 3.526 20 10 GHCDRN C[C@@]1(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1(Cl)Cl ZINC000838668692 1025278857 /nfs/dbraw/zinc/27/88/57/1025278857.db2.gz OSXBHVYHOOAKMX-YOEHRIQHSA-N 0 0 387.307 3.667 20 10 GHCDRN C[C@@H]1CCCC[C@H]1N(C)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838746944 1025342680 /nfs/dbraw/zinc/34/26/80/1025342680.db2.gz MPLOSAPANMHVHT-RDTXWAMCSA-N 0 0 381.467 3.522 20 10 GHCDRN C[C@@H]1CCN(c2ccc(F)cc2F)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001156851160 1033278637 /nfs/dbraw/zinc/27/86/37/1033278637.db2.gz HWYXZPVPROAHAA-UFZAZABTSA-N 0 0 388.414 3.517 20 10 GHCDRN O=C(CCc1ccc2c(c1)OC(F)(F)O2)NCc1ccc(N2CCCC2)cc1 ZINC001141538742 1025431506 /nfs/dbraw/zinc/43/15/06/1025431506.db2.gz UUOCEMHKDIRJAT-UHFFFAOYSA-N 0 0 388.414 3.857 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)Nc1nc(-c2ccccc2)no1 ZINC000839030178 1025531734 /nfs/dbraw/zinc/53/17/34/1025531734.db2.gz NMIZSWKACZRBOY-UHFFFAOYSA-N 0 0 395.488 3.612 20 10 GHCDRN C[C@@H](NC(=O)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1)c1ccc(N(C)C)cc1 ZINC000832437044 1025558510 /nfs/dbraw/zinc/55/85/10/1025558510.db2.gz WOZMJWOCJGFJJA-NVXWUHKLSA-N 0 0 383.467 3.512 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H](c2ccccc2)C1 ZINC000839273399 1025771523 /nfs/dbraw/zinc/77/15/23/1025771523.db2.gz RFHLZIGMQQBLDZ-LJQANCHMSA-N 0 0 380.488 3.537 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N(C)Cc1cc2ccccc2o1 ZINC000839339835 1025821987 /nfs/dbraw/zinc/82/19/87/1025821987.db2.gz PULGXKLGMUTVBH-UHFFFAOYSA-N 0 0 394.471 3.926 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001139129215 1025942119 /nfs/dbraw/zinc/94/21/19/1025942119.db2.gz QUECYSLTEZPALU-CQSZACIVSA-N 0 0 387.382 3.739 20 10 GHCDRN CC(=O)c1cc(F)cc(C[N@@H+](C)C2CCN(CCC(F)(F)F)CC2)c1[O-] ZINC000832778729 1025944621 /nfs/dbraw/zinc/94/46/21/1025944621.db2.gz OVOQFQZCYGTEJJ-UHFFFAOYSA-N 0 0 376.394 3.583 20 10 GHCDRN C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000832795510 1025959035 /nfs/dbraw/zinc/95/90/35/1025959035.db2.gz GXOHGGAUSLWNED-BMIGLBTASA-N 0 0 399.340 3.858 20 10 GHCDRN CC(=O)c1ncc(C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)s1 ZINC000839511707 1025996019 /nfs/dbraw/zinc/99/60/19/1025996019.db2.gz XTHFPPKDFRLVGZ-UHFFFAOYSA-N 0 0 383.473 3.847 20 10 GHCDRN Cc1ncc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c(C2CC2)n1 ZINC000839525098 1026009939 /nfs/dbraw/zinc/00/99/39/1026009939.db2.gz ODQOVCQIRJRURW-UHFFFAOYSA-N 0 0 393.491 3.549 20 10 GHCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)cc1 ZINC001139179964 1026013185 /nfs/dbraw/zinc/01/31/85/1026013185.db2.gz KBZOPXWILNCPQC-LSDHHAIUSA-N 0 0 387.237 3.897 20 10 GHCDRN CCOc1ccc(C[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000839580243 1026076297 /nfs/dbraw/zinc/07/62/97/1026076297.db2.gz RCZQNIGKIRIVEL-RBUKOAKNSA-N 0 0 396.531 3.978 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)Nc1csc2ccccc12 ZINC000839633027 1026137974 /nfs/dbraw/zinc/13/79/74/1026137974.db2.gz FBVLMFWNOCQBTD-OAHLLOKOSA-N 0 0 395.528 3.962 20 10 GHCDRN CCCOc1cccc(NC(=O)C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000839633678 1026139067 /nfs/dbraw/zinc/13/90/67/1026139067.db2.gz LGBRRPUMAWXEJX-QGZVFWFLSA-N 0 0 397.519 3.536 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1c(Cl)nc(Cl)nc1C(N)=O ZINC001163486362 1026210705 /nfs/dbraw/zinc/21/07/05/1026210705.db2.gz GWTALWANPUVFOH-AWEZNQCLSA-N 0 0 395.290 3.940 20 10 GHCDRN Cc1cc(C(=O)N[C@H](C(N)=O)c2ccccn2)c(C)n1-c1cccc(C(C)C)c1 ZINC000833212334 1026336336 /nfs/dbraw/zinc/33/63/36/1026336336.db2.gz CEUIZJFRFOPDGK-NRFANRHFSA-N 0 0 390.487 3.569 20 10 GHCDRN COc1ccc(CCC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cc1OC ZINC000839912119 1026342204 /nfs/dbraw/zinc/34/22/04/1026342204.db2.gz BGHWMCCMQFZFAK-KRWDZBQOSA-N 0 0 384.520 3.758 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000839915492 1026344283 /nfs/dbraw/zinc/34/42/83/1026344283.db2.gz FWCQTWZNRFZHCZ-GOSISDBHSA-N 0 0 376.504 3.667 20 10 GHCDRN CC(=O)N[C@H](CC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)c1ccc(C)cc1 ZINC000839915804 1026344503 /nfs/dbraw/zinc/34/45/03/1026344503.db2.gz KYVQNBQCPRNJOD-FDDCHVKYSA-N 0 0 395.547 3.684 20 10 GHCDRN Cc1nc2ccccc2n1CCC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839919663 1026346355 /nfs/dbraw/zinc/34/63/55/1026346355.db2.gz IUGJCLOWYVJIQV-QGZVFWFLSA-N 0 0 378.520 3.857 20 10 GHCDRN Cc1onc(-c2ccccn2)c1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839921107 1026347951 /nfs/dbraw/zinc/34/79/51/1026347951.db2.gz WVDXWXOJMNDAJD-OAHLLOKOSA-N 0 0 378.476 3.780 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cc(=O)c2ccc(F)cc2o1 ZINC000839921140 1026348548 /nfs/dbraw/zinc/34/85/48/1026348548.db2.gz HTQQFQXVJHMDHP-CQSZACIVSA-N 0 0 382.435 3.668 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Cc1ccccc1O[C@H]1CCOC1 ZINC000839922849 1026349115 /nfs/dbraw/zinc/34/91/15/1026349115.db2.gz YQUFMRGTAOGNBK-AVRDEDQJSA-N 0 0 396.531 3.519 20 10 GHCDRN NC(=O)N=Nc1ccc(C(=O)N2CCCC[C@@H]2C(=O)OCc2ccccc2)cc1 ZINC001139819390 1026640035 /nfs/dbraw/zinc/64/00/35/1026640035.db2.gz RKYUEJAQMVOLMX-GOSISDBHSA-N 0 0 394.431 3.587 20 10 GHCDRN Cc1cccc(COCc2cnc3n2CCN(Cc2cc(F)ccc2O)[C@H]3C)n1 ZINC001140054441 1026833789 /nfs/dbraw/zinc/83/37/89/1026833789.db2.gz QLBRWSHTEJSHOB-INIZCTEOSA-N 0 0 396.466 3.725 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2O)[C@H](C(F)(F)F)C1 ZINC001140056268 1026835047 /nfs/dbraw/zinc/83/50/47/1026835047.db2.gz OQPLVJQJBHQRTC-AWEZNQCLSA-N 0 0 378.366 3.515 20 10 GHCDRN COc1ccc2[nH]nc(CN3CCc4c(c5cc(OC)ccc5n4C)C3)c2c1 ZINC001140068219 1026847458 /nfs/dbraw/zinc/84/74/58/1026847458.db2.gz BYLYZIGQWCWFGT-UHFFFAOYSA-N 0 0 376.460 3.630 20 10 GHCDRN Oc1cccc(Br)c1CN1CCN(Cc2c(F)cccc2F)CC1 ZINC001140103280 1026883780 /nfs/dbraw/zinc/88/37/80/1026883780.db2.gz HOBYOTOWMAVOLK-UHFFFAOYSA-N 0 0 397.263 3.751 20 10 GHCDRN CCn1c(/C=C/c2conc2C)nc2cc(S(=O)(=O)C(F)(F)F)ccc21 ZINC000834408508 1026976977 /nfs/dbraw/zinc/97/69/77/1026976977.db2.gz KSKHLLAUXAYEGN-QPJJXVBHSA-N 0 0 385.367 3.817 20 10 GHCDRN CCn1nnc(C)c1/C=C(/Cl)c1nc2ccc(Br)cc2n1C ZINC000834434692 1026988795 /nfs/dbraw/zinc/98/87/95/1026988795.db2.gz QUAIUVBZZTYIMD-DHZHZOJOSA-N 0 0 380.677 3.993 20 10 GHCDRN COc1ccc(N2CCN(Cc3n[nH]c4ccc(Cl)cc43)CC2)c(OC)c1 ZINC001209762807 1027162097 /nfs/dbraw/zinc/16/20/97/1027162097.db2.gz ZNKQXOGLKLXPNF-UHFFFAOYSA-N 0 0 386.883 3.556 20 10 GHCDRN COc1ccc(I)c(Nc2ccc3c(c2)OCCN3)c1 ZINC001209768231 1027169330 /nfs/dbraw/zinc/16/93/30/1027169330.db2.gz VRPLZPGQYXEXHO-UHFFFAOYSA-N 0 0 382.201 3.848 20 10 GHCDRN COc1cccc(I)c1Nc1ccc2c(c1)OCCN2 ZINC001209791593 1027195042 /nfs/dbraw/zinc/19/50/42/1027195042.db2.gz BGTRYRLJDBAETA-UHFFFAOYSA-N 0 0 382.201 3.848 20 10 GHCDRN CC(C)(C)CCOc1cnccc1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001141774950 1027210929 /nfs/dbraw/zinc/21/09/29/1027210929.db2.gz GQVZNQMSLQWJJT-UHFFFAOYSA-N 0 0 383.452 3.989 20 10 GHCDRN Cc1ccc(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)c(O)c1O ZINC001167037116 1027212056 /nfs/dbraw/zinc/21/20/56/1027212056.db2.gz BCPZKECEUVWSKZ-UHFFFAOYSA-N 0 0 390.277 3.921 20 10 GHCDRN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+](C)Cc2ccc(C)c(C)c2)c1 ZINC000840150625 1027283711 /nfs/dbraw/zinc/28/37/11/1027283711.db2.gz SGICSQFKBHBWQB-UHFFFAOYSA-N 0 0 396.531 3.676 20 10 GHCDRN CCc1sc(=O)n(CC(=O)NCc2ccc(N(C)C)cc2)c1-c1ccccc1 ZINC000840199951 1027339494 /nfs/dbraw/zinc/33/94/94/1027339494.db2.gz NOHGIVYBOSHSCW-UHFFFAOYSA-N 0 0 395.528 3.522 20 10 GHCDRN CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000840260275 1027389750 /nfs/dbraw/zinc/38/97/50/1027389750.db2.gz GDPRIQYUVQEGFE-MJGOQNOKSA-N 0 0 391.531 3.801 20 10 GHCDRN CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000840261998 1027389837 /nfs/dbraw/zinc/38/98/37/1027389837.db2.gz BKKHEQRUZRPGGT-RTWAWAEBSA-N 0 0 387.568 3.909 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCCC[C@H]3F)cc2F)C[C@H](C)O1 ZINC000840262620 1027391046 /nfs/dbraw/zinc/39/10/46/1027391046.db2.gz XYMKUEWZAGLICK-CXHZTBPHSA-N 0 0 381.467 3.519 20 10 GHCDRN CC[C@H](NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)c1c(C)nn(C)c1C ZINC000840314383 1027443425 /nfs/dbraw/zinc/44/34/25/1027443425.db2.gz JXAXODFRKQESQX-YWZLYKJASA-N 0 0 385.556 3.793 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCc1nnc(C(C)(C)C)s1 ZINC000840324147 1027452381 /nfs/dbraw/zinc/45/23/81/1027452381.db2.gz ODQPBWHYQYPKEK-AWEZNQCLSA-N 0 0 389.569 3.640 20 10 GHCDRN CCOc1cccc(CN2Cc3ncn(C)c3[C@@H](COCC3CCCC3)C2)c1O ZINC001203603413 1027468348 /nfs/dbraw/zinc/46/83/48/1027468348.db2.gz ODWXJXGMHHRNBZ-LJQANCHMSA-N 0 0 399.535 3.831 20 10 GHCDRN NC(=O)Cc1cccc(C(=O)c2ccccc2)c1Nc1cccc([N+](=O)[O-])c1F ZINC001210385005 1027482800 /nfs/dbraw/zinc/48/28/00/1027482800.db2.gz ASYXFZLAGCNDSJ-UHFFFAOYSA-N 0 0 393.374 3.736 20 10 GHCDRN C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1Cc1cc(Br)ccc1O ZINC001203636632 1027496411 /nfs/dbraw/zinc/49/64/11/1027496411.db2.gz YMGFTOINXBVICA-ZDUSSCGKSA-N 0 0 399.329 3.986 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000840482300 1027564763 /nfs/dbraw/zinc/56/47/63/1027564763.db2.gz VUPWXBBCMNMZPL-XUVXKRRUSA-N 0 0 387.568 3.840 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC2(CCC(O)CC2)CC1 ZINC000840484589 1027568924 /nfs/dbraw/zinc/56/89/24/1027568924.db2.gz PXXWGEKIIXHSGQ-SFHVURJKSA-N 0 0 387.568 3.719 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@H](O)C[C@H]1c1ccccc1 ZINC000840486066 1027570073 /nfs/dbraw/zinc/57/00/73/1027570073.db2.gz YFCWKJCLNPSFDH-WTOYTKOKSA-N 0 0 381.520 3.510 20 10 GHCDRN COC(=O)Cc1ccc(NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cc1 ZINC000840486966 1027572137 /nfs/dbraw/zinc/57/21/37/1027572137.db2.gz DNTBLFQTRDNHMK-INIZCTEOSA-N 0 0 383.492 3.529 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000840488118 1027573601 /nfs/dbraw/zinc/57/36/01/1027573601.db2.gz JORKRTUCJLBXFG-INIZCTEOSA-N 0 0 394.519 3.706 20 10 GHCDRN CCNC(=O)c1cccc(NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000840490164 1027575863 /nfs/dbraw/zinc/57/58/63/1027575863.db2.gz XGFHJJQFNPCPNC-INIZCTEOSA-N 0 0 382.508 3.563 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(C)(C)NC(=O)Nc1ccccc1 ZINC000840556107 1027615022 /nfs/dbraw/zinc/61/50/22/1027615022.db2.gz LADAHZNFTHARIX-QGZVFWFLSA-N 0 0 396.535 3.709 20 10 GHCDRN COCc1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1 ZINC000840915804 1027949958 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GHCDRN Cc1cccc(NC(=O)CN(C)C(=O)c2cc3cc(O)c(O)cc3s2)c1C ZINC001290572282 1049880114 /nfs/dbraw/zinc/88/01/14/1049880114.db2.gz OEFYNEVTHCQZFQ-UHFFFAOYSA-N 0 0 384.457 3.640 20 10 GHCDRN Fc1ccc(NNC(=S)Nc2ccc3c(c2)OCO3)c(Br)c1 ZINC000735236336 1049902306 /nfs/dbraw/zinc/90/23/06/1049902306.db2.gz VGBWUJAFTGCMPI-UHFFFAOYSA-N 0 0 384.230 3.630 20 10 GHCDRN Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1CCC1CCOCC1 ZINC001290720666 1049908794 /nfs/dbraw/zinc/90/87/94/1049908794.db2.gz MGEBEAOPMOYABF-UHFFFAOYSA-N 0 0 383.540 3.640 20 10 GHCDRN COc1ccc(N2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)cc1F ZINC000754026152 1049942013 /nfs/dbraw/zinc/94/20/13/1049942013.db2.gz MFEDBORWRQFCKD-UHFFFAOYSA-N 0 0 388.424 3.679 20 10 GHCDRN CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC001308720723 1050071067 /nfs/dbraw/zinc/07/10/67/1050071067.db2.gz NTKOVOVXHKBUFO-SFHVURJKSA-N 0 0 384.314 3.874 20 10 GHCDRN COc1ccc(N2CCN(Cc3ccc4c(c3)OCCCCO4)CC2)c(OC)c1 ZINC001308906420 1050155167 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Cc1cc(CN2C(=O)/C(=C\c3ccc(N4CCCC4)cc3)SC2=S)no1 ZINC001329232530 1050751346 /nfs/dbraw/zinc/75/13/46/1050751346.db2.gz UEPXOHBRHWFBSK-GZTJUZNOSA-N 0 0 385.514 3.985 20 10 GHCDRN CN(C)c1cc(F)c(CNc2cc(F)c(N3CCOCC3)cc2F)cc1F ZINC001329730648 1050895031 /nfs/dbraw/zinc/89/50/31/1050895031.db2.gz HKLLTFUGYYATEM-UHFFFAOYSA-N 0 0 383.389 3.758 20 10 GHCDRN COC(=O)/C=C/c1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cc1 ZINC000755987047 1050906216 /nfs/dbraw/zinc/90/62/16/1050906216.db2.gz XRQVANLHBLLBMS-JXMROGBWSA-N 0 0 389.473 3.811 20 10 GHCDRN CCOC(=O)[C@H](F)C1CN(C(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)C1 ZINC001330461453 1051013911 /nfs/dbraw/zinc/01/39/11/1051013911.db2.gz TUPAATPUVXSZCP-GOSISDBHSA-N 0 0 392.858 3.721 20 10 GHCDRN Cc1cc(CNC(=O)N2CCC(F)(F)[C@@H](CO)C2)c(C)n1-c1cccc(C)c1 ZINC001330560984 1051028205 /nfs/dbraw/zinc/02/82/05/1051028205.db2.gz ZCZHLIZKZGRLGW-GOSISDBHSA-N 0 0 391.462 3.562 20 10 GHCDRN O=C([O-])C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(Br)c1 ZINC000756319835 1051029942 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C[C@]1(NC(=O)NCc2ccc(N3CCSCC3)cc2)CCOc2ccccc21 ZINC001311449735 1052160322 /nfs/dbraw/zinc/16/03/22/1052160322.db2.gz GBNUJNKHQDLBBO-QFIPXVFZSA-N 0 0 397.544 3.737 20 10 GHCDRN C/C=C/C[C@H]1CCCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC001311614827 1052282154 /nfs/dbraw/zinc/28/21/54/1052282154.db2.gz WEAFNXGEHXCECG-YATRRXNKSA-N 0 0 389.515 3.675 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)c2cnn3c2nc(C2CC2)cc3C(F)F)cc1 ZINC001336869553 1052354920 /nfs/dbraw/zinc/35/49/20/1052354920.db2.gz YSRBUAOGHGDWID-UHFFFAOYSA-N 0 0 399.445 3.883 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC=C(Cl)C1 ZINC001311825905 1052422745 /nfs/dbraw/zinc/42/27/45/1052422745.db2.gz AKSVDYZEQPNMAN-UHFFFAOYSA-N 0 0 385.842 3.795 20 10 GHCDRN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCCSC1 ZINC001337442616 1052473323 /nfs/dbraw/zinc/47/33/23/1052473323.db2.gz MZZMFITVAKIECG-RAXLEYEMSA-N 0 0 398.600 3.653 20 10 GHCDRN Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccc(C3=S=CC=C3)s2)cc1 ZINC001337595267 1052511419 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COc1ccc(N2CC[C@@H](NC(=O)NC3(c4ccccc4Cl)CC3)C2)cc1 ZINC001312995283 1052929154 /nfs/dbraw/zinc/92/91/54/1052929154.db2.gz UPQYFAAGQYJNIK-OAHLLOKOSA-N 0 0 385.895 3.916 20 10 GHCDRN CC1(C)CCc2onc(CNC(=O)NCc3c(O)ccc4c3CCCC4)c2C1 ZINC001313233593 1052991785 /nfs/dbraw/zinc/99/17/85/1052991785.db2.gz WVKIOTSPDQYCNR-UHFFFAOYSA-N 0 0 383.492 3.773 20 10 GHCDRN O=C(NCC[C@H]1CCC(F)(F)C1)NCc1cccc(Br)c1O ZINC001313396348 1053041674 /nfs/dbraw/zinc/04/16/74/1053041674.db2.gz ZOOLIPCJCBMSLL-SNVBAGLBSA-N 0 0 377.229 3.779 20 10 GHCDRN CCOC[C@@H]1CCCN(c2nnc(C3CC3)n2Cc2ccc(N(C)C)cc2C)C1 ZINC001314420835 1053473512 /nfs/dbraw/zinc/47/35/12/1053473512.db2.gz MLPVQDWHJWJOQI-GOSISDBHSA-N 0 0 397.567 3.831 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc(CC(C)(C)C)n1C[C@H]1CCC[C@@H](O)C1 ZINC001314753640 1053589964 /nfs/dbraw/zinc/58/99/64/1053589964.db2.gz UBVSCYOMZFLNHF-FUHWJXTLSA-N 0 0 386.540 3.760 20 10 GHCDRN CC(C)Cn1c(C2Sc3ncccc3C2=O)nnc1N1CCC2(CCO2)CC1 ZINC001343440184 1053771235 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CCn1ncnc1CSCC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C ZINC001345181443 1054929416 /nfs/dbraw/zinc/92/94/16/1054929416.db2.gz YDJLQGBQJRSRIE-UHFFFAOYSA-N 0 0 389.912 3.870 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)c3cncc(OCC(F)F)c3)cc2)CC1 ZINC001319293683 1055161703 /nfs/dbraw/zinc/16/17/03/1055161703.db2.gz XDSZKDLIDGKHJV-UHFFFAOYSA-N 0 0 389.446 3.892 20 10 GHCDRN Cc1ccc(C(F)(F)c2nnc(N(C)Cc3ccccc3O)n2CC2CC2)cn1 ZINC001345867230 1055302608 /nfs/dbraw/zinc/30/26/08/1055302608.db2.gz MIDRUPYCCOIATO-UHFFFAOYSA-N 0 0 399.445 3.874 20 10 GHCDRN Clc1ccc([C@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCO2)s1 ZINC001319711999 1055417115 /nfs/dbraw/zinc/41/71/15/1055417115.db2.gz NYGMQHNDRJHXJS-QGZVFWFLSA-N 0 0 378.925 3.812 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cc(OCC(F)F)ccn1 ZINC001319913180 1055539916 /nfs/dbraw/zinc/53/99/16/1055539916.db2.gz JCWNRNWBPPYHQO-UHFFFAOYSA-N 0 0 392.450 3.523 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](c2cnn(C)c2)c2ccccc2)c(C)n1-c1ccccn1 ZINC001320363961 1055772156 /nfs/dbraw/zinc/77/21/56/1055772156.db2.gz DAVPAHHTDQZQDP-JOCHJYFZSA-N 0 0 385.471 3.742 20 10 GHCDRN C[C@@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1cc(Br)c(F)cc1[O-] ZINC001320420509 1055796261 /nfs/dbraw/zinc/79/62/61/1055796261.db2.gz PIZXLPPZXQDWAN-NWDGAFQWSA-N 0 0 387.293 3.593 20 10 GHCDRN C[C@H](CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C ZINC001320423775 1055798190 /nfs/dbraw/zinc/79/81/90/1055798190.db2.gz PQKUFFFOUKWDKE-HZPDHXFCSA-N 0 0 392.544 3.758 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001353911105 1056122186 /nfs/dbraw/zinc/12/21/86/1056122186.db2.gz OJADBQQYURANRD-UHFFFAOYSA-N 0 0 385.489 3.946 20 10 GHCDRN COc1ccc2c(c1)[C@@H](C(=O)NCc1cccc(Br)c1O)CCC2 ZINC000847932518 1056224997 /nfs/dbraw/zinc/22/49/97/1056224997.db2.gz YFSMIVNVWUPVAW-HNNXBMFYSA-N 0 0 390.277 3.900 20 10 GHCDRN COc1cccc(CNC(=S)NCc2cc3ccccc3cc2O)c1OC ZINC001200527157 1056230190 /nfs/dbraw/zinc/23/01/90/1056230190.db2.gz QLHHCQSORCUWLI-UHFFFAOYSA-N 0 0 382.485 3.727 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1 ZINC001321785624 1056396115 /nfs/dbraw/zinc/39/61/15/1056396115.db2.gz DWALYPIVIBBFGJ-HUUCEWRRSA-N 0 0 396.940 3.641 20 10 GHCDRN NC(=O)C1CCN(c2ccc(CNc3cc(Cl)c4cccnc4n3)cc2)CC1 ZINC001354265711 1056486147 /nfs/dbraw/zinc/48/61/47/1056486147.db2.gz AROUTNGGVWAHMM-UHFFFAOYSA-N 0 0 395.894 3.597 20 10 GHCDRN COc1ccc(CN(C(=O)c2ccc(C)c(O)c2O)[C@@H](C)C2CC2)c(OC)c1 ZINC000848102696 1056628926 /nfs/dbraw/zinc/62/89/26/1056628926.db2.gz XTMNRSDYYAUCQT-AWEZNQCLSA-N 0 0 385.460 3.864 20 10 GHCDRN CC(=O)C1CCN(c2nnc(C3SC=CC3=O)n2CCc2ccccc2)CC1 ZINC001354475159 1056695927 /nfs/dbraw/zinc/69/59/27/1056695927.db2.gz RQQUVBSXCJYFGR-UHFFFAOYSA-N 0 0 396.516 3.760 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC(=O)N(C)c2ccccc21 ZINC001322613794 1056769616 /nfs/dbraw/zinc/76/96/16/1056769616.db2.gz JIHWAHXNSJYWIW-HXUWFJFHSA-N 0 0 379.504 3.640 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]2C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000848242878 1056934638 /nfs/dbraw/zinc/93/46/38/1056934638.db2.gz PPTUCEGXEXHEOL-YWZLYKJASA-N 0 0 394.899 3.699 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)C[C@H](C)C(=O)c3ccccc3)CC2)cc1 ZINC001323192192 1056936342 /nfs/dbraw/zinc/93/63/42/1056936342.db2.gz GSYFKCWKCGFDPN-SFHVURJKSA-N 0 0 380.488 3.643 20 10 GHCDRN CCOC(=O)c1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c(NC(C)C)c1 ZINC001300735998 1056963800 /nfs/dbraw/zinc/96/38/00/1056963800.db2.gz IGUAMNIRAKNHHM-POHAHGRESA-N 0 0 384.432 3.747 20 10 GHCDRN CCNC(=O)c1ccc(CNC(=O)Cc2cc(C)n(-c3ccccc3)c2C)cc1 ZINC001354984282 1057004790 /nfs/dbraw/zinc/00/47/90/1057004790.db2.gz DCPINFBFFPKUEW-UHFFFAOYSA-N 0 0 389.499 3.703 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]3CCC4(CCC4)O3)cc2F)C[C@@H](C)O1 ZINC001355130371 1057058261 /nfs/dbraw/zinc/05/82/61/1057058261.db2.gz LTJFQMOMNDEBPN-NUJGCVRESA-N 0 0 390.499 3.547 20 10 GHCDRN CC(C)Oc1nc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000848658042 1057226963 /nfs/dbraw/zinc/22/69/63/1057226963.db2.gz PKZGAEWUGVSHRF-HNNXBMFYSA-N 0 0 386.452 3.787 20 10 GHCDRN Cc1cc(CC(=O)NCc2cn(-c3ccccc3)nn2)c(C)n1-c1ccccc1 ZINC001355631440 1057236150 /nfs/dbraw/zinc/23/61/50/1057236150.db2.gz ILRSOKZHPGUJKX-UHFFFAOYSA-N 0 0 385.471 3.534 20 10 GHCDRN C[C@H](Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)c1ccc(N(C)C)cc1 ZINC000848681433 1057238072 /nfs/dbraw/zinc/23/80/72/1057238072.db2.gz CMDPPGWHOLAKNT-AWEZNQCLSA-N 0 0 388.443 3.810 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cc2cnn3ccccc23)cc1 ZINC001355697365 1057253270 /nfs/dbraw/zinc/25/32/70/1057253270.db2.gz QAGJOORVHVHOLB-UHFFFAOYSA-N 0 0 388.471 3.765 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001325051444 1057270168 /nfs/dbraw/zinc/27/01/68/1057270168.db2.gz PUYRNVREGFJRLM-XASXRRJKSA-N 0 0 389.455 3.550 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCC(=O)N(c3cccc(F)c3)C2)cc1 ZINC001355911075 1057311537 /nfs/dbraw/zinc/31/15/37/1057311537.db2.gz NNQJQUMFHYSPRX-SFHVURJKSA-N 0 0 397.494 3.731 20 10 GHCDRN CCOC(=O)N1CC[C@@H](NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)C1 ZINC001325694478 1057353390 /nfs/dbraw/zinc/35/33/90/1057353390.db2.gz VCBOYYCIUWAXTP-OAHLLOKOSA-N 0 0 389.883 3.708 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1 ZINC001326546158 1057509074 /nfs/dbraw/zinc/50/90/74/1057509074.db2.gz ZMQHKDOYMZNTSV-GOSISDBHSA-N 0 0 381.520 3.848 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)Nc2cccc(C(N)=O)c2C)CCCC1 ZINC001326707789 1057539058 /nfs/dbraw/zinc/53/90/58/1057539058.db2.gz MCJGDOPKJKPFKH-UHFFFAOYSA-N 0 0 391.471 3.575 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](c2nccn2C)C(F)(F)F)cc1 ZINC001440259494 1058478539 /nfs/dbraw/zinc/47/85/39/1058478539.db2.gz XDJJPXBTOBVDOF-INIZCTEOSA-N 0 0 376.382 3.861 20 10 GHCDRN CCn1c(Br)ncc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001440710934 1058592249 /nfs/dbraw/zinc/59/22/49/1058592249.db2.gz HCOUEGWANRTCAY-UHFFFAOYSA-N 0 0 391.313 3.538 20 10 GHCDRN NC(=O)N=Nc1ccc(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)cc1 ZINC001441808025 1058866485 /nfs/dbraw/zinc/86/64/85/1058866485.db2.gz BGAUOZSKJIHXQJ-UHFFFAOYSA-N 0 0 385.387 3.811 20 10 GHCDRN CCCCNC(=O)C1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCCCC1 ZINC001442857676 1059018184 /nfs/dbraw/zinc/01/81/84/1059018184.db2.gz QOWSIVPRDGJLSS-UHFFFAOYSA-N 0 0 390.505 3.662 20 10 GHCDRN C[C@]1(C(=O)NCCCSc2nccs2)CC(c2ccccc2Cl)=NO1 ZINC001443492537 1059138402 /nfs/dbraw/zinc/13/84/02/1059138402.db2.gz UTDVXWPXAFRSKG-QGZVFWFLSA-N 0 0 395.937 3.978 20 10 GHCDRN COc1cccc([C@@H](O)CNC(=O)c2cc(C)ccc2-n2c(C)ccc2C)c1 ZINC001445799130 1059623153 /nfs/dbraw/zinc/62/31/53/1059623153.db2.gz LPAHNBBGCUAIAU-QFIPXVFZSA-N 0 0 378.472 3.875 20 10 GHCDRN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)NCc1ccccc1O ZINC001445972750 1059667784 /nfs/dbraw/zinc/66/77/84/1059667784.db2.gz TVNKUYUTXUPUAC-UHFFFAOYSA-N 0 0 378.457 3.815 20 10 GHCDRN Cc1cc(CC(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)c(C)n1-c1ccccc1 ZINC001446011161 1059676944 /nfs/dbraw/zinc/67/69/44/1059676944.db2.gz BZZHREKAIZPTEA-VGSWGCGISA-N 0 0 376.504 3.943 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](CO)c2sccc2C)CCCC1 ZINC001446701026 1059834257 /nfs/dbraw/zinc/83/42/57/1059834257.db2.gz NKQDIFHVFRORJQ-SFHVURJKSA-N 0 0 398.528 3.748 20 10 GHCDRN COCCn1c(NC(=O)c2cc3cc(O)c(O)cc3s2)nc2ccccc21 ZINC001447369037 1059956702 /nfs/dbraw/zinc/95/67/02/1059956702.db2.gz DHQBUSZUZCCHCI-UHFFFAOYSA-N 0 0 383.429 3.561 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC001447566443 1059983255 /nfs/dbraw/zinc/98/32/55/1059983255.db2.gz XNNWYGGZFIOEFP-KXBFYZLASA-N 0 0 385.504 3.956 20 10 GHCDRN CCS[C@@H](C)c1noc(CN(C)c2nnc(C3SC=CC3=O)n2CC)n1 ZINC001340780796 1060120907 /nfs/dbraw/zinc/12/09/07/1060120907.db2.gz XUDYMDXJDHYPHJ-JTQLQIEISA-N 0 0 394.526 3.566 20 10 GHCDRN Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001448467915 1060191779 /nfs/dbraw/zinc/19/17/79/1060191779.db2.gz RDLPVDPAYCBSSU-LWAZDOKKSA-N 0 0 376.412 3.535 20 10 GHCDRN Cc1cc(C(=O)NCC2(N3CCOCC3)CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC001448826503 1060277221 /nfs/dbraw/zinc/27/72/21/1060277221.db2.gz HZBINJIRVIUEKP-UHFFFAOYSA-N 0 0 395.547 3.812 20 10 GHCDRN CCOc1ccc(N2CCN(Cc3csc(-c4ccccn4)n3)CC2)cc1 ZINC001341376567 1060626569 /nfs/dbraw/zinc/62/65/69/1060626569.db2.gz LORUMUMHZWGVBW-UHFFFAOYSA-N 0 0 380.517 3.926 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)/C=C/c3ccc4ccccc4n3)CC2)cc1 ZINC001341407334 1060650657 /nfs/dbraw/zinc/65/06/57/1060650657.db2.gz SUMNOSWRHCYTGT-NTEUORMPSA-N 0 0 387.483 3.996 20 10 GHCDRN CC(C)(C)OC(=O)CC1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCCCC1 ZINC001450944058 1060720828 /nfs/dbraw/zinc/72/08/28/1060720828.db2.gz IYFWINKQAPXADE-CSKARUKUSA-N 0 0 375.465 3.662 20 10 GHCDRN COc1cc(C)c([S@@](C)=O)cc1OC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC001451887369 1060857124 /nfs/dbraw/zinc/85/71/24/1060857124.db2.gz OGTDPEURRJSYPI-MUUNZHRXSA-N 0 0 398.484 3.763 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)/C=C(/CC)c1ccc(OC)cc1 ZINC001451907696 1060859199 /nfs/dbraw/zinc/85/91/99/1060859199.db2.gz CHGMXHWFRGWTFN-VKAVYKQESA-N 0 0 397.471 3.786 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(C)c(C)cc1Cl ZINC001451925753 1060865979 /nfs/dbraw/zinc/86/59/79/1060865979.db2.gz YLVIEDNODRJSQL-UHFFFAOYSA-N 0 0 375.852 3.868 20 10 GHCDRN O=C(Cc1csc(Cc2ccccc2)n1)NCc1ccc2cccnc2c1O ZINC001451948710 1060873683 /nfs/dbraw/zinc/87/36/83/1060873683.db2.gz DJRSMHVJYQIKFM-UHFFFAOYSA-N 0 0 389.480 3.847 20 10 GHCDRN CCOC(=O)[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C1CCCCCC1 ZINC001452645350 1060978956 /nfs/dbraw/zinc/97/89/56/1060978956.db2.gz RUTLALQZSQHQFY-SFHVURJKSA-N 0 0 391.489 3.944 20 10 GHCDRN Cc1c(C(=O)NCc2cc(Cl)ccc2O)nnn1-c1ccccc1Cl ZINC001452947810 1061047080 /nfs/dbraw/zinc/04/70/80/1061047080.db2.gz TWGJQYBIXQSSQZ-UHFFFAOYSA-N 0 0 377.231 3.518 20 10 GHCDRN Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H]1C ZINC001361098437 1061597227 /nfs/dbraw/zinc/59/72/27/1061597227.db2.gz UXGPLDDNZMLUAM-FXAWDEMLSA-N 0 0 383.540 3.931 20 10 GHCDRN COc1cccc2c(C(=O)NCc3cc(C)n(-c4cccc(C)c4)c3C)cnn21 ZINC001454625580 1061883744 /nfs/dbraw/zinc/88/37/44/1061883744.db2.gz MZOJPABPWANEKX-UHFFFAOYSA-N 0 0 388.471 3.989 20 10 GHCDRN Cc1nnc(N2CCCCCCC2)n1Cc1ccc(N2CCSCC2)cc1 ZINC001492869278 1061952240 /nfs/dbraw/zinc/95/22/40/1061952240.db2.gz VZHTXZBLXOMSHT-UHFFFAOYSA-N 0 0 385.581 3.959 20 10 GHCDRN CCOCCCn1c(C2SC=CC2=O)nnc1N1CCCC(F)(F)CC1 ZINC001346986862 1062033883 /nfs/dbraw/zinc/03/38/83/1062033883.db2.gz HYWLVBFHHCHYOS-UHFFFAOYSA-N 0 0 386.468 3.764 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC(CC2CCOCC2)C1 ZINC001455266428 1062080106 /nfs/dbraw/zinc/08/01/06/1062080106.db2.gz OJWGJVZQYBNFEK-UHFFFAOYSA-N 0 0 380.488 3.795 20 10 GHCDRN COc1ccc2cc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cnc2c1 ZINC001434910040 1062100021 /nfs/dbraw/zinc/10/00/21/1062100021.db2.gz LVNFUEBDTORLBJ-INIZCTEOSA-N 0 0 391.471 3.571 20 10 GHCDRN Cc1cc(C(=O)NCc2cccc(O)c2O)ccc1NC(=O)c1cccs1 ZINC001455316530 1062101926 /nfs/dbraw/zinc/10/19/26/1062101926.db2.gz ORQJHANUGSOVIC-UHFFFAOYSA-N 0 0 382.441 3.650 20 10 GHCDRN Cc1nnc([C@@H](C)NC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)o1 ZINC001347103165 1062119330 /nfs/dbraw/zinc/11/93/30/1062119330.db2.gz WLXIVSRZVHKFAY-CQSZACIVSA-N 0 0 383.452 3.510 20 10 GHCDRN CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC001455451206 1062157457 /nfs/dbraw/zinc/15/74/57/1062157457.db2.gz ACYSPYLVYSDKRC-CUPZGDSWSA-N 0 0 384.451 3.546 20 10 GHCDRN CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC001455451221 1062158475 /nfs/dbraw/zinc/15/84/75/1062158475.db2.gz ACYSPYLVYSDKRC-KZIVNFMESA-N 0 0 384.451 3.546 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCc1nc(C(C)C)nn1C ZINC001455669005 1062253753 /nfs/dbraw/zinc/25/37/53/1062253753.db2.gz AXJABDJIVDLSGZ-UHFFFAOYSA-N 0 0 379.508 3.627 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)NCC3(C4(O)CCC4)CCC3)ccc21 ZINC001455706204 1062269419 /nfs/dbraw/zinc/26/94/19/1062269419.db2.gz NELFNVWTGLOHDR-UHFFFAOYSA-N 0 0 384.520 3.720 20 10 GHCDRN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NCc1c(O)cccc1F ZINC001456030237 1062418144 /nfs/dbraw/zinc/41/81/44/1062418144.db2.gz RUUSPCXIOJPJHF-JTQLQIEISA-N 0 0 384.220 3.928 20 10 GHCDRN Cc1cc(CC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c(C)n1-c1ccccc1 ZINC001456033911 1062422752 /nfs/dbraw/zinc/42/27/52/1062422752.db2.gz MUNPDRKNVFDSNU-JOCHJYFZSA-N 0 0 387.483 3.558 20 10 GHCDRN COc1ccc2c(CC(=O)N3CCOc4cc(N(C)C)ccc43)coc2c1C ZINC001435285459 1062464444 /nfs/dbraw/zinc/46/44/44/1062464444.db2.gz FGPFODQALAAHHE-UHFFFAOYSA-N 0 0 380.444 3.784 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C ZINC001456232017 1062566455 /nfs/dbraw/zinc/56/64/55/1062566455.db2.gz VFSYCPRNLMBFFY-APWZRJJASA-N 0 0 391.556 3.863 20 10 GHCDRN O=C(CC1CCN(CC(F)(F)F)CC1)NCc1c(O)ccc2ccccc21 ZINC001456312065 1062608587 /nfs/dbraw/zinc/60/85/87/1062608587.db2.gz XQAQVZMGQFGGCN-UHFFFAOYSA-N 0 0 380.410 3.826 20 10 GHCDRN Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001456315203 1062610014 /nfs/dbraw/zinc/61/00/14/1062610014.db2.gz CQQCWSFXJLMNLU-UHFFFAOYSA-N 0 0 396.447 3.556 20 10 GHCDRN O=C1C=CSC1c1nnc(N2CCc3sccc3C2)n1C[C@@H]1CCCO1 ZINC001347779841 1062657618 /nfs/dbraw/zinc/65/76/18/1062657618.db2.gz RJWMDMMJTRPREA-ZDUSSCGKSA-N 0 0 388.518 3.515 20 10 GHCDRN C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)N(C)Cc1ccccc1O ZINC001348157598 1062940940 /nfs/dbraw/zinc/94/09/40/1062940940.db2.gz XQAFDRPKSZCAJE-CYBMUJFWSA-N 0 0 394.393 3.589 20 10 GHCDRN Cc1cn(C(C)(C)C(=O)NCc2cccc(Cl)c2O)nc1C(F)(F)F ZINC001457035812 1062955440 /nfs/dbraw/zinc/95/54/40/1062955440.db2.gz KJBBHSCOADMADV-UHFFFAOYSA-N 0 0 375.778 3.621 20 10 GHCDRN O=C(NCc1cccc(Cl)c1O)c1cccc(I)c1 ZINC001457038208 1062956800 /nfs/dbraw/zinc/95/68/00/1062956800.db2.gz OEGXNNVNJIAGLW-UHFFFAOYSA-N 0 0 387.604 3.580 20 10 GHCDRN CCCc1ccc(N2C[C@@H](C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2=O)cc1 ZINC001435946593 1063022766 /nfs/dbraw/zinc/02/27/66/1063022766.db2.gz FVMLQGFXZAHJQD-PXNSSMCTSA-N 0 0 393.531 3.935 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](CO)C(C)C)c(C)n1-c1cccc(Br)c1 ZINC001457385207 1063129865 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COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3CCc4cc(Cl)ccc43)C2)cc1 ZINC001470773850 1072730424 /nfs/dbraw/zinc/73/04/24/1072730424.db2.gz RIMYCDBXTCAHTJ-UZLBHIALSA-N 0 0 385.895 3.914 20 10 GHCDRN CCOC[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CCO1 ZINC001470986691 1072868438 /nfs/dbraw/zinc/86/84/38/1072868438.db2.gz XWEVMKUEKXMEEE-SFHVURJKSA-N 0 0 376.884 3.625 20 10 GHCDRN C[C@H](NC(=O)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12)c1ccccc1O ZINC001470994938 1072873052 /nfs/dbraw/zinc/87/30/52/1072873052.db2.gz HZZYDYAGDSJRER-COHNBNRFSA-N 0 0 387.277 3.853 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC001471003233 1072878478 /nfs/dbraw/zinc/87/84/78/1072878478.db2.gz BOLUZYVAGUSXPF-OAHLLOKOSA-N 0 0 377.847 3.605 20 10 GHCDRN CC(=O)Nc1cnccc1C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001471018854 1072886933 /nfs/dbraw/zinc/88/69/33/1072886933.db2.gz WQOSRKHDYUTPKT-UHFFFAOYSA-N 0 0 376.460 3.686 20 10 GHCDRN COc1ccc(CCC(=O)N[C@@H](C)c2ccccc2O)cc1Br ZINC001471195516 1072961857 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GHCDRN CO[C@@]1(CNC(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)CCSC1 ZINC001479100639 1079102429 /nfs/dbraw/zinc/10/24/29/1079102429.db2.gz VVVVUGKPIDRDGB-OAQYLSRUSA-N 0 0 387.549 3.724 20 10 GHCDRN Cc1cc(CNC(=O)N[C@@H](C)C(=O)Nc2ccccc2)c(C)n1-c1ccccc1 ZINC001479099773 1079102562 /nfs/dbraw/zinc/10/25/62/1079102562.db2.gz ORZSNBHCMLKGAW-KRWDZBQOSA-N 0 0 390.487 3.921 20 10 GHCDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC1CCN(CC(F)F)CC1 ZINC001472675066 1073610390 /nfs/dbraw/zinc/61/03/90/1073610390.db2.gz LNRFBKHIWOKAHX-UHFFFAOYSA-N 0 0 389.402 3.967 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1ncnc(C(F)(F)F)c1Br ZINC001472755151 1073651677 /nfs/dbraw/zinc/65/16/77/1073651677.db2.gz NEHULAKFZKQNNW-SSDOTTSWSA-N 0 0 392.175 3.712 20 10 GHCDRN CC[C@@H]1CCN([C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001473222725 1073871574 /nfs/dbraw/zinc/87/15/74/1073871574.db2.gz IKUMVPJAWHVRAD-HUUCEWRRSA-N 0 0 376.456 3.521 20 10 GHCDRN CCOC(=O)c1cnn2c1[nH]c(CN(c1cc(C)ccc1C)C(C)C)cc2=O ZINC001473256371 1073892793 /nfs/dbraw/zinc/89/27/93/1073892793.db2.gz OUQBGTGOTMRBMF-UHFFFAOYSA-N 0 0 382.464 3.643 20 10 GHCDRN CC[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001473785422 1074141454 /nfs/dbraw/zinc/14/14/54/1074141454.db2.gz CNACFHZQXXTYBR-INIZCTEOSA-N 0 0 380.460 3.565 20 10 GHCDRN CCN(CC)c1ccc(CNc2ccc(CC(=O)N3CCOCC3)cc2)cc1 ZINC001473940931 1074213100 /nfs/dbraw/zinc/21/31/00/1074213100.db2.gz JLSFEIBTTAPEHU-UHFFFAOYSA-N 0 0 381.520 3.546 20 10 GHCDRN Cc1cc(Br)c(O)c(CNc2ccc(N3CCNC3=O)cc2)c1 ZINC001473945784 1074214263 /nfs/dbraw/zinc/21/42/63/1074214263.db2.gz LAURINXKHWKVRT-UHFFFAOYSA-N 0 0 376.254 3.605 20 10 GHCDRN O=C(NC[C@@H]1C[C@@H]1Cc1ccccc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001479571445 1079232186 /nfs/dbraw/zinc/23/21/86/1079232186.db2.gz LWDZOBPFRXGKQR-FDFHNCONSA-N 0 0 394.515 3.962 20 10 GHCDRN CC(=O)c1ccc(CCNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC001479622927 1079240698 /nfs/dbraw/zinc/24/06/98/1079240698.db2.gz SLRHVDGVXFDCRX-UHFFFAOYSA-N 0 0 381.259 3.944 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](NCc2ccc3c(c2)CCCO3)C1 ZINC001474148995 1074277761 /nfs/dbraw/zinc/27/77/61/1074277761.db2.gz IBCBVHLONTXDSM-KRWDZBQOSA-N 0 0 382.451 3.746 20 10 GHCDRN O=c1[nH]c2c(cc1C[NH2+]Cc1cc(Br)cc(F)c1[O-])CCCC2 ZINC001474242282 1074306939 /nfs/dbraw/zinc/30/69/39/1074306939.db2.gz IYKRFOSQFYCQPB-UHFFFAOYSA-N 0 0 381.245 3.563 20 10 GHCDRN O=S(=O)(NCC1CC1)c1ccc(NCc2ccc(N3CCCC3)cc2)cc1 ZINC001474261971 1074315228 /nfs/dbraw/zinc/31/52/28/1074315228.db2.gz IQNGUBIFRWGXRB-UHFFFAOYSA-N 0 0 385.533 3.587 20 10 GHCDRN COC(=O)COc1ccc(N(C)Cc2cn(-c3cccc(F)c3)nc2C)cc1 ZINC001474438795 1074406027 /nfs/dbraw/zinc/40/60/27/1074406027.db2.gz ZMPDNCHTQDOCRJ-UHFFFAOYSA-N 0 0 383.423 3.508 20 10 GHCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2c(Cl)ccc(F)c2F)cc1 ZINC001474852077 1074593656 /nfs/dbraw/zinc/59/36/56/1074593656.db2.gz JOQFDOPYDWQHHA-UHFFFAOYSA-N 0 0 388.867 3.943 20 10 GHCDRN Cc1cc(S(=O)(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)ccc1Cl ZINC001475402494 1074862390 /nfs/dbraw/zinc/86/23/90/1074862390.db2.gz AJEFKKDESXBJKW-HNNXBMFYSA-N 0 0 380.941 3.932 20 10 GHCDRN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)NCc1cc(Cl)ccc1O ZINC001475467709 1074886115 /nfs/dbraw/zinc/88/61/15/1074886115.db2.gz SNFXPUQEAQWJKR-UHFFFAOYSA-N 0 0 379.787 3.851 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 ZINC001475483655 1074891175 /nfs/dbraw/zinc/89/11/75/1074891175.db2.gz NOBALMNPRNSZPU-NRFANRHFSA-N 0 0 393.531 3.938 20 10 GHCDRN Cc1cc(NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)n(C2CCOCC2)n1 ZINC001476310168 1075122120 /nfs/dbraw/zinc/12/21/20/1075122120.db2.gz DHBYCGUMGDJTBD-UHFFFAOYSA-N 0 0 397.523 3.807 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)CCCC1 ZINC001546249143 1079432911 /nfs/dbraw/zinc/43/29/11/1079432911.db2.gz AZQBYJMUOXXEAJ-SIKLNZKXSA-N 0 0 398.547 3.784 20 10 GHCDRN CC1CCN(c2ccc(CNc3nc4c(cc3-c3nn[nH]n3)CCC4)cc2)CC1 ZINC000736278989 598503214 /nfs/dbraw/zinc/50/32/14/598503214.db2.gz INMROMHWWOULOU-UHFFFAOYSA-N 0 0 389.507 3.599 20 10 GHCDRN Cc1cc(C(=O)Nc2ccc(C)cc2O)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737360395 598617838 /nfs/dbraw/zinc/61/78/38/598617838.db2.gz MYKNJPNECZCJKG-UHFFFAOYSA-N 0 0 388.431 3.541 20 10 GHCDRN O=C(Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)cc1)C1=CC(=O)CS1 ZINC000738171621 598720653 /nfs/dbraw/zinc/72/06/53/598720653.db2.gz HRSICKFYPMVDIH-UHFFFAOYSA-N 0 0 379.401 3.678 20 10 GHCDRN O=C([O-])c1cc2ccccc2c(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1O ZINC000833309013 601400389 /nfs/dbraw/zinc/40/03/89/601400389.db2.gz ZIJDNHCCJZATQP-SFHVURJKSA-N 0 0 399.487 3.794 20 10 GHCDRN Cc1cc(C(=O)C[N@H+](CCC(=O)[O-])C2CCOCC2)c(C)n1-c1ccccc1C ZINC000832974145 601596146 /nfs/dbraw/zinc/59/61/46/601596146.db2.gz FHICCEJFFLZZRT-UHFFFAOYSA-N 0 0 398.503 3.541 20 10 GHCDRN Cc1cccc(C)c1N1C(=O)C(=Cc2ccc(-c3nn[nH]n3)s2)SC1=S ZINC000822293611 606394118 /nfs/dbraw/zinc/39/41/18/606394118.db2.gz DTTIBGWZQSSBKZ-JYRVWZFOSA-N 0 0 399.526 3.951 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)cc1 ZINC000066410651 837390892 /nfs/dbraw/zinc/39/08/92/837390892.db2.gz CQNPMOJNGQQDRM-UHFFFAOYSA-N 0 0 393.531 3.644 20 10 GHCDRN CCOC(=O)N(C)c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000157328955 837397806 /nfs/dbraw/zinc/39/78/06/837397806.db2.gz SZNUYABDOVBWTB-UHFFFAOYSA-N 0 0 387.455 3.867 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c1 ZINC001167291327 837556886 /nfs/dbraw/zinc/55/68/86/837556886.db2.gz ZDJISGAERWRNIS-NRFANRHFSA-N 0 0 388.467 3.878 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1csc(Cc2ccccc2)n1 ZINC000173204392 837599015 /nfs/dbraw/zinc/59/90/15/837599015.db2.gz MOACICPPDZZFIP-UHFFFAOYSA-N 0 0 393.512 3.768 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCCC[C@]2(C)NC(=O)OC(C)(C)C)c1 ZINC001167293552 837670278 /nfs/dbraw/zinc/67/02/78/837670278.db2.gz IRUVQEUQDGNGHQ-KKSFZXQISA-N 0 0 376.497 3.790 20 10 GHCDRN C[C@H]1CN(C)c2ccccc2CN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000175807454 837705751 /nfs/dbraw/zinc/70/57/51/837705751.db2.gz XBVRBMKVJQTRGM-SFHVURJKSA-N 0 0 376.504 3.613 20 10 GHCDRN CC(=O)c1ccc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)nc1 ZINC000180982970 837756396 /nfs/dbraw/zinc/75/63/96/837756396.db2.gz XTESOFLMIOCEJV-UHFFFAOYSA-N 0 0 379.382 3.752 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCO[C@@H](c2ccccc2F)C1 ZINC000472292051 834628496 /nfs/dbraw/zinc/62/84/96/834628496.db2.gz KPWFQJITRVTJAH-OAQYLSRUSA-N 0 0 381.451 3.909 20 10 GHCDRN COc1cccc2c1CCN(C(=O)NCc1c(C)c3ccccc3n1C)CC2 ZINC000472295584 834726347 /nfs/dbraw/zinc/72/63/47/834726347.db2.gz SCMUSBQIUDXKOP-UHFFFAOYSA-N 0 0 377.488 3.806 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000161843295 834914887 /nfs/dbraw/zinc/91/48/87/834914887.db2.gz XPTPLLOPAFLMHA-IBGZPJMESA-N 0 0 399.560 3.858 20 10 GHCDRN COc1c(O)c(CNCc2csc(CCc3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000278533366 835319371 /nfs/dbraw/zinc/31/93/71/835319371.db2.gz VMHDMCARHOBFSA-UHFFFAOYSA-N 0 0 399.472 3.841 20 10 GHCDRN COc1cc2c(cc1/C=C1/SC(=S)N(CCc3ccccc3)C1=O)OCO2 ZINC000001126688 835388215 /nfs/dbraw/zinc/38/82/15/835388215.db2.gz AIIJJKCDOGRKEG-VCHYOVAHSA-N 0 0 399.493 3.868 20 10 GHCDRN CCN(Cc1ncn(-c2ccccc2)n1)Cc1cc(Br)ccc1O ZINC000179356362 835543929 /nfs/dbraw/zinc/54/39/29/835543929.db2.gz AOOMMLFXTCLMLR-UHFFFAOYSA-N 0 0 387.281 3.758 20 10 GHCDRN CC(=O)N[C@@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000052921228 835812634 /nfs/dbraw/zinc/81/26/34/835812634.db2.gz AQVYUAZZJYQWGH-FQEVSTJZSA-N 0 0 387.911 3.632 20 10 GHCDRN C[C@H]1CC[C@H](C[NH3+])CN1Cc1cc(Br)cc(C(F)(F)F)c1[O-] ZINC001206805799 835883162 /nfs/dbraw/zinc/88/31/62/835883162.db2.gz DMKHWJKAXMAVMS-VHSXEESVSA-N 0 0 381.236 3.733 20 10 GHCDRN CNC(=O)c1cc(NC(=O)NCc2c(C)c3ccccc3n2C)ccc1Cl ZINC000471215495 835892184 /nfs/dbraw/zinc/89/21/84/835892184.db2.gz JGNMPDOEKUHBEH-UHFFFAOYSA-N 0 0 384.867 3.821 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)cc1F ZINC000177274478 836236439 /nfs/dbraw/zinc/23/64/39/836236439.db2.gz KNQGRNULNKVUJM-UHFFFAOYSA-N 0 0 397.475 3.920 20 10 GHCDRN O=C(NCCCSc1nccs1)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000152772639 836320993 /nfs/dbraw/zinc/32/09/93/836320993.db2.gz MXHUFWKJOMPWGP-CQSZACIVSA-N 0 0 394.541 3.590 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2ccc([S@@](C)=O)cc2)c(C)n1-c1ccccc1 ZINC000021642866 836540713 /nfs/dbraw/zinc/54/07/13/836540713.db2.gz UJAQZPIZFDUQOJ-NDEPHWFRSA-N 0 0 395.480 3.871 20 10 GHCDRN CC[C@@H]1CCCCN1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001167157278 836717126 /nfs/dbraw/zinc/71/71/26/836717126.db2.gz ILFRLMHGFBDJJM-MRXNPFEDSA-N 0 0 376.456 3.665 20 10 GHCDRN CCc1c(C(=O)NCc2cc(Br)ccc2O)cnn1C(C)(C)C ZINC000804734261 836811078 /nfs/dbraw/zinc/81/10/78/836811078.db2.gz GVXUKFDUCUICQM-UHFFFAOYSA-N 0 0 380.286 3.599 20 10 GHCDRN COc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc(Cl)cc3C)CC2)cc1 ZINC000060389844 837014982 /nfs/dbraw/zinc/01/49/82/837014982.db2.gz ATDZWHKBXCPHJK-INIZCTEOSA-N 0 0 388.895 3.773 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NC[C@@H](C[C@@H](C)O)c2ccccc2)cc1 ZINC000177783816 837205328 /nfs/dbraw/zinc/20/53/28/837205328.db2.gz LJFFVDAHLJULNM-WIYYLYMNSA-N 0 0 383.536 3.887 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)OCc3cc(C(=O)OC)co3)ccc21 ZINC000728637718 837209507 /nfs/dbraw/zinc/20/95/07/837209507.db2.gz FKUNOQCPKMLNTA-UHFFFAOYSA-N 0 0 385.416 3.641 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000066343789 837260605 /nfs/dbraw/zinc/26/06/05/837260605.db2.gz CPSWGXINBDHJQK-IBGZPJMESA-N 0 0 398.526 3.950 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)OCc3nc(CC(C)C)no3)ccc21 ZINC000728639994 837290092 /nfs/dbraw/zinc/29/00/92/837290092.db2.gz UXQQWSVVFCKWER-UHFFFAOYSA-N 0 0 385.464 3.843 20 10 GHCDRN Cc1cccc([C@H]2CCCN2C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000164462907 837935240 /nfs/dbraw/zinc/93/52/40/837935240.db2.gz OLKCWYFPCONOEH-XMSQKQJNSA-N 0 0 394.519 3.834 20 10 GHCDRN C[C@H](O)C[C@@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000177769140 838056310 /nfs/dbraw/zinc/05/63/10/838056310.db2.gz BVMPWSXEWWRZBN-RXVVDRJESA-N 0 0 381.520 3.641 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(OC)c(OC(F)F)c2)c1 ZINC000728949965 844304112 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/nfs/dbraw/zinc/92/97/32/846929732.db2.gz OVNPNUXUBKEWSA-LDYMZIIASA-N 0 0 379.092 3.574 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cccc(N3CCCC3=O)c2)cc1 ZINC000024187592 846948790 /nfs/dbraw/zinc/94/87/90/846948790.db2.gz QLCJZRWAUVBDHT-UHFFFAOYSA-N 0 0 379.504 3.932 20 10 GHCDRN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000051646660 847103707 /nfs/dbraw/zinc/10/37/07/847103707.db2.gz HTDXEWFQOMUILB-UHFFFAOYSA-N 0 0 382.508 3.769 20 10 GHCDRN O=C(Nc1ccc(NC(=O)C2=S=CC=C2)cc1)c1cc(-c2ccccc2)no1 ZINC000501765879 847162268 /nfs/dbraw/zinc/16/22/68/847162268.db2.gz MUDJPNPRLSHJQR-UHFFFAOYSA-N 0 0 389.436 3.810 20 10 GHCDRN C[C@H]([NH2+]C[C@@H]1CCOC1)c1cc(Br)cc(Br)c1[O-] ZINC000273300398 847299262 /nfs/dbraw/zinc/29/92/62/847299262.db2.gz BFZIPJGALSXNAM-IUCAKERBSA-N 0 0 379.092 3.604 20 10 GHCDRN CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])c1 ZINC000273300425 847299356 /nfs/dbraw/zinc/29/93/56/847299356.db2.gz BGDMCGMPBPPSFE-CABCVRRESA-N 0 0 384.476 3.558 20 10 GHCDRN CCN(CC)C(=O)c1ccc(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])cc1 ZINC000273408961 847330044 /nfs/dbraw/zinc/33/00/44/847330044.db2.gz PCVKGFBYMPXDTD-HNNXBMFYSA-N 0 0 384.476 3.512 20 10 GHCDRN Cc1ccc([C@@H](C)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)c(O)c1C ZINC000273483322 847351276 /nfs/dbraw/zinc/35/12/76/847351276.db2.gz MPDFDGMFMFFQQY-CVEARBPZSA-N 0 0 379.464 3.973 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NCCCc3cccc(F)c3)CC2)cc1 ZINC000731686280 861786837 /nfs/dbraw/zinc/78/68/37/861786837.db2.gz WGLLYMRODLMNBD-UHFFFAOYSA-N 0 0 385.483 3.689 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)c1 ZINC000273581538 847377079 /nfs/dbraw/zinc/37/70/79/847377079.db2.gz MTPSVSDPBGNLHK-VXGBXAGGSA-N 0 0 377.412 3.747 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)c1nc(C2CC2)ncc1Br ZINC000277703427 847645304 /nfs/dbraw/zinc/64/53/04/847645304.db2.gz FLPDVLXXMFFZKA-UHFFFAOYSA-N 0 0 390.281 3.875 20 10 GHCDRN C[C@@H]1CCN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)[C@@H](C(N)=O)C1 ZINC000588531237 847730252 /nfs/dbraw/zinc/73/02/52/847730252.db2.gz OXQWCNDEEBUNNQ-FOIQADDNSA-N 0 0 393.491 3.894 20 10 GHCDRN CCCCCNC(=O)C1CCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000472235911 847867299 /nfs/dbraw/zinc/86/72/99/847867299.db2.gz CRFRFFMBHVYFSR-UHFFFAOYSA-N 0 0 398.551 3.715 20 10 GHCDRN Cc1cc(C(=O)N2CCC(C(=O)N(C)C)CC2)c(C)n1-c1cccc(Cl)c1 ZINC000115895158 847917981 /nfs/dbraw/zinc/91/79/81/847917981.db2.gz IHQOJSOTPNCYTK-UHFFFAOYSA-N 0 0 387.911 3.688 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000472240668 847970483 /nfs/dbraw/zinc/97/04/83/847970483.db2.gz OWEUSDFKAYCUBX-NRFANRHFSA-N 0 0 381.451 3.909 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000472241797 848046808 /nfs/dbraw/zinc/04/68/08/848046808.db2.gz NECWCMPKETZRRO-AUUYWEPGSA-N 0 0 397.441 3.770 20 10 GHCDRN CCc1nc([C@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cs1 ZINC000277841336 848191701 /nfs/dbraw/zinc/19/17/01/848191701.db2.gz NJBXWXAYBOXKSR-JTQLQIEISA-N 0 0 379.869 3.590 20 10 GHCDRN CCO[C@@H]1C[C@]2(NC(=O)N(Cc3ccc(N4CCC(C)CC4)cc3)C2=O)C1(C)C ZINC000277859756 848245692 /nfs/dbraw/zinc/24/56/92/848245692.db2.gz OAUBEBQFGHNCSG-AUSIDOKSSA-N 0 0 399.535 3.549 20 10 GHCDRN Cc1cc2ccccc2n1CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000731857894 861913166 /nfs/dbraw/zinc/91/31/66/861913166.db2.gz GEWZYENCDOAMGY-FQEVSTJZSA-N 0 0 378.472 3.863 20 10 GHCDRN O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)C1=CC(=O)CS1 ZINC000731871090 861939950 /nfs/dbraw/zinc/93/99/50/861939950.db2.gz WFYIYOYVXWDNPR-UHFFFAOYSA-N 0 0 384.423 3.867 20 10 GHCDRN CC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000171284074 862023839 /nfs/dbraw/zinc/02/38/39/862023839.db2.gz LDKHRDQYCBTIJB-NRFANRHFSA-N 0 0 381.520 3.686 20 10 GHCDRN COC(=O)c1coc([C@H](C)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000278191456 849582380 /nfs/dbraw/zinc/58/23/80/849582380.db2.gz FLNUJYSDXXWGFE-KKUMJFAQSA-N 0 0 390.455 3.670 20 10 GHCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cccc(-c3cccs3)c2)c1 ZINC000171309372 862035185 /nfs/dbraw/zinc/03/51/85/862035185.db2.gz KZVLOCGMNOFSLJ-UHFFFAOYSA-N 0 0 388.470 3.745 20 10 GHCDRN O=C(NCc1cc(-c2ccccc2)on1)NCc1ccc(N2CCCC2)cc1 ZINC000171332793 862088471 /nfs/dbraw/zinc/08/84/71/862088471.db2.gz NGLBCNKDDNPSIL-UHFFFAOYSA-N 0 0 376.460 3.941 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)NCc3cn4cc(C)ccc4n3)ccc21 ZINC000486957321 850294355 /nfs/dbraw/zinc/29/43/55/850294355.db2.gz WDPDOLWICFEYED-UHFFFAOYSA-N 0 0 390.487 3.791 20 10 GHCDRN Cc1ccc([C@H](NC(=O)COC(=O)C2=CC(=O)CS2)c2cccs2)cc1 ZINC000732353425 862223508 /nfs/dbraw/zinc/22/35/08/862223508.db2.gz HUAVYLAJJOHZMC-SFHVURJKSA-N 0 0 387.482 3.886 20 10 GHCDRN Cc1cc(C(=O)NCC(=O)NCC(F)(F)F)c(C)n1-c1cccc(C(C)C)c1 ZINC000108480871 851283979 /nfs/dbraw/zinc/28/39/79/851283979.db2.gz BVZZFCAWXNRQCQ-UHFFFAOYSA-N 0 0 395.425 3.626 20 10 GHCDRN Cc1cc2[nH]c(C(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)cc2c(C)c1 ZINC000028661773 851875016 /nfs/dbraw/zinc/87/50/16/851875016.db2.gz UPZJVYGKKOPIOE-UHFFFAOYSA-N 0 0 393.487 3.666 20 10 GHCDRN COc1cccc(CNC(=O)Nc2ccc(Oc3ncccn3)cc2C)c1O ZINC000729564382 862298891 /nfs/dbraw/zinc/29/88/91/862298891.db2.gz VPJSUBUQDBOQOY-UHFFFAOYSA-N 0 0 380.404 3.613 20 10 GHCDRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)NCc1ccccc1O)C1CCCCC1 ZINC000732458250 862300211 /nfs/dbraw/zinc/30/02/11/862300211.db2.gz GXIZEIBBUSFDKC-QGZVFWFLSA-N 0 0 391.512 3.665 20 10 GHCDRN COC(=O)c1c(CNCc2csc([C@@H](C)OC)n2)c2cc(F)ccc2n1C ZINC000894319957 852207168 /nfs/dbraw/zinc/20/71/68/852207168.db2.gz HDCNIBRAJTWRGK-LLVKDONJSA-N 0 0 391.468 3.558 20 10 GHCDRN CCn1cc(/C=C/c2nc3cc(S(=O)(=O)C(F)(F)F)ccc3n2CC)cn1 ZINC000732528948 862337800 /nfs/dbraw/zinc/33/78/00/862337800.db2.gz HOXRRLGDGYKQOC-VMPITWQZSA-N 0 0 398.410 3.737 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCOC3(CCCC3)C2)cc1F ZINC000150953313 852842942 /nfs/dbraw/zinc/84/29/42/852842942.db2.gz YISQDPQBAPOPFM-QGZVFWFLSA-N 0 0 377.504 3.963 20 10 GHCDRN Cc1cc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)c(C)n1-c1ccccn1 ZINC000151023693 852948390 /nfs/dbraw/zinc/94/83/90/852948390.db2.gz NYYGXYHOOZDXAP-GOSISDBHSA-N 0 0 398.507 3.522 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)cc1 ZINC000732634678 862414984 /nfs/dbraw/zinc/41/49/84/862414984.db2.gz LRRKGCZFBOLOLT-HXUWFJFHSA-N 0 0 387.430 3.620 20 10 GHCDRN COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)ccc1F ZINC000151150634 853101617 /nfs/dbraw/zinc/10/16/17/853101617.db2.gz HRQJEKKPEBSLAD-LJQANCHMSA-N 0 0 386.467 3.722 20 10 GHCDRN CC(=O)Nc1cccc(NC(=S)NNc2ccc(F)cc2Br)c1 ZINC000913147759 853107508 /nfs/dbraw/zinc/10/75/08/853107508.db2.gz HPGRABZOWWRDPM-UHFFFAOYSA-N 0 0 397.273 3.860 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)c3cccnc3N(C)C)cc2Cl)C1 ZINC001270433296 853212184 /nfs/dbraw/zinc/21/21/84/853212184.db2.gz SZFPHPKIZJODAY-HNNXBMFYSA-N 0 0 386.927 3.967 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccccc1S(=O)(=O)C(C)C ZINC000151276566 853244214 /nfs/dbraw/zinc/24/42/14/853244214.db2.gz INCPKLUVDKXXRK-UHFFFAOYSA-N 0 0 389.521 3.565 20 10 GHCDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000439156219 853365455 /nfs/dbraw/zinc/36/54/55/853365455.db2.gz LISMBQMZEAGMRX-UHFFFAOYSA-N 0 0 375.812 3.662 20 10 GHCDRN COc1cc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)ccc1C ZINC000054782734 853528034 /nfs/dbraw/zinc/52/80/34/853528034.db2.gz DIUYGTCDRRDXSE-UHFFFAOYSA-N 0 0 385.533 3.556 20 10 GHCDRN Cc1ccc(C2(C(=O)NCc3c(O)ccc4c3CCCC4)CCOCC2)cc1 ZINC000156345835 853665670 /nfs/dbraw/zinc/66/56/70/853665670.db2.gz RRVWRXFQKLZUAZ-UHFFFAOYSA-N 0 0 379.500 3.944 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3cccc(-c4cc[nH]n4)c3)CC2)cc1F ZINC000185953266 862493812 /nfs/dbraw/zinc/49/38/12/862493812.db2.gz FRRXJKLXKQUIPI-UHFFFAOYSA-N 0 0 395.438 3.579 20 10 GHCDRN COC(=O)C1CCN(C(=O)[C@H](Sc2ncc(C(C)(C)C)s2)C(C)C)CC1 ZINC000164362175 853915227 /nfs/dbraw/zinc/91/52/27/853915227.db2.gz IDPUBXODNBIXEX-OAHLLOKOSA-N 0 0 398.594 3.969 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(F)c(F)c3)cc2F)C[C@@H](C)O1 ZINC000055530223 854001712 /nfs/dbraw/zinc/00/17/12/854001712.db2.gz HSHKRFYRTFPRCY-CHWSQXEVSA-N 0 0 378.394 3.648 20 10 GHCDRN COc1cc(/C=C/c2nc(-c3ncccc3C(F)(F)F)no2)cc(O)c1O ZINC001212152771 854372174 /nfs/dbraw/zinc/37/21/74/854372174.db2.gz WTJKCZBMYIKTRZ-SNAWJCMRSA-N 0 0 379.294 3.741 20 10 GHCDRN COC1(C(F)(F)F)CC[NH+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000895026363 854440486 /nfs/dbraw/zinc/44/04/86/854440486.db2.gz XIIGANSYNRUITI-UHFFFAOYSA-N 0 0 386.183 3.837 20 10 GHCDRN COc1cccc(CNC(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2F)c1O ZINC000763999735 862591190 /nfs/dbraw/zinc/59/11/90/862591190.db2.gz SMVOTCZTQUSNEI-UHFFFAOYSA-N 0 0 390.411 3.817 20 10 GHCDRN COc1cccc(C[C@H](C)NC(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000732994085 862645853 /nfs/dbraw/zinc/64/58/53/862645853.db2.gz WOUBYYTXFSEINF-KRWDZBQOSA-N 0 0 399.560 3.679 20 10 GHCDRN Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000827973051 862649677 /nfs/dbraw/zinc/64/96/77/862649677.db2.gz HDMOSPBBPPIZPO-BBRMVZONSA-N 0 0 382.489 3.552 20 10 GHCDRN CCCN(CCC)C(=O)c1cccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000186430089 855236779 /nfs/dbraw/zinc/23/67/79/855236779.db2.gz NZSBSVWGZDPASA-MRXNPFEDSA-N 0 0 398.503 3.721 20 10 GHCDRN COc1ccc(C[C@@H](C)NC(=O)NCc2ccc(N3CCCC3)cc2)cc1OC ZINC000171714939 862684930 /nfs/dbraw/zinc/68/49/30/862684930.db2.gz XVVOQZLJTXSQMK-QGZVFWFLSA-N 0 0 397.519 3.734 20 10 GHCDRN COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000765843713 855493236 /nfs/dbraw/zinc/49/32/36/855493236.db2.gz ZNSYWBPITNAIQE-OAHLLOKOSA-N 0 0 382.382 3.626 20 10 GHCDRN COc1cc(C)ccc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000780397714 855770740 /nfs/dbraw/zinc/77/07/40/855770740.db2.gz PNKXGHDOIUDOAL-IYBDPMFKSA-N 0 0 386.467 3.686 20 10 GHCDRN CCc1c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cnn1-c1ccccc1C ZINC000186444038 855882404 /nfs/dbraw/zinc/88/24/04/855882404.db2.gz MKXRSGKQNOEIEP-OAHLLOKOSA-N 0 0 379.460 3.515 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000733142199 862740832 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CCN(CCC1CC1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000760981218 856934053 /nfs/dbraw/zinc/93/40/53/856934053.db2.gz CKYUGZBDQYKOKW-UHFFFAOYSA-N 0 0 399.457 3.874 20 10 GHCDRN C[C@H]([NH2+][C@H](CO)c1ccccc1OC(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000281177411 862874065 /nfs/dbraw/zinc/87/40/65/862874065.db2.gz QIKAGCRCKROSRL-TVQRCGJNSA-N 0 0 377.309 3.953 20 10 GHCDRN CNS(=O)(=O)c1ccc(N2CC=C(c3c[nH]c4cc(C)ccc34)CC2)c(F)c1 ZINC000508277735 857129746 /nfs/dbraw/zinc/12/97/46/857129746.db2.gz CSZWUMBJXBCRRY-UHFFFAOYSA-N 0 0 399.491 3.817 20 10 GHCDRN CSc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)n1 ZINC000843777889 857150370 /nfs/dbraw/zinc/15/03/70/857150370.db2.gz DVRVRESHYHLRKK-SFHVURJKSA-N 0 0 385.533 3.691 20 10 GHCDRN COCCN(Cc1nc(C(F)(F)F)cs1)c1ccc(OC)c(OC)c1 ZINC000157708289 857208312 /nfs/dbraw/zinc/20/83/12/857208312.db2.gz YDGUZENWWVOPON-UHFFFAOYSA-N 0 0 376.400 3.832 20 10 GHCDRN C[C@H](NC(=O)c1ccc(NCc2cnn(C)c2)cc1)c1ccc(N(C)C)cc1 ZINC000907493751 857661222 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ZINC000766477333 870821298 /nfs/dbraw/zinc/82/12/98/870821298.db2.gz HVUBVSRONAHKGH-UHFFFAOYSA-N 0 0 382.888 3.898 20 10 GHCDRN CCc1cccnc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000766482588 870826167 /nfs/dbraw/zinc/82/61/67/870826167.db2.gz GHCCIZGOUOFQPU-HNNXBMFYSA-N 0 0 375.419 3.644 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)Nc1cccnc1OCC(F)F ZINC000766506297 870835931 /nfs/dbraw/zinc/83/59/31/870835931.db2.gz GZAWURDOBYZZMM-UHFFFAOYSA-N 0 0 376.407 3.647 20 10 GHCDRN COc1cc(C(=O)Nc2cc(C3CCC3)nn2-c2ccccc2)cc(O)c1O ZINC001193088247 870873292 /nfs/dbraw/zinc/87/32/92/870873292.db2.gz AEOSWXFZHKVLQA-UHFFFAOYSA-N 0 0 379.416 3.812 20 10 GHCDRN CN(C)c1ccc(-c2nc(C(=O)Nc3cnc4c(c3)COCC4)cs2)cc1 ZINC001193160784 870926628 /nfs/dbraw/zinc/92/66/28/870926628.db2.gz CXXDAODUMYRZIY-UHFFFAOYSA-N 0 0 380.473 3.596 20 10 GHCDRN CN(C)c1ccc(-c2nc(C(=O)Nc3ccnn3-c3ccncc3)cs2)cc1 ZINC001193164225 870929441 /nfs/dbraw/zinc/92/94/41/870929441.db2.gz XFWFRDQXYRNZEK-UHFFFAOYSA-N 0 0 390.472 3.709 20 10 GHCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C[C@@H]1C ZINC000766523402 870932470 /nfs/dbraw/zinc/93/24/70/870932470.db2.gz RUJBQUJVPYYYFE-CABCVRRESA-N 0 0 399.457 3.730 20 10 GHCDRN CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000809693715 887669567 /nfs/dbraw/zinc/66/95/67/887669567.db2.gz ZCRMAGQRDKKCQJ-PHIMTYICSA-N 0 0 379.092 3.526 20 10 GHCDRN O=C(N[C@@H]1CCc2cc(Br)ccc2C1)c1ccc(O)c(O)c1Cl ZINC001193247051 870973733 /nfs/dbraw/zinc/97/37/33/870973733.db2.gz JDHCJUDELYRAEH-GFCCVEGCSA-N 0 0 396.668 3.801 20 10 GHCDRN Cc1cc(C(=O)NCCc2cnccn2)c(C)n1-c1cccc(Br)c1 ZINC000775588184 870993669 /nfs/dbraw/zinc/99/36/69/870993669.db2.gz CGBUSEZQJAABQI-UHFFFAOYSA-N 0 0 399.292 3.619 20 10 GHCDRN Cc1cc(CN2CCNC(=O)[C@@H]2c2ccccc2C(F)(F)F)ccc1N(C)C ZINC001193272218 870995260 /nfs/dbraw/zinc/99/52/60/870995260.db2.gz HPGNIOWJWQDJSY-IBGZPJMESA-N 0 0 391.437 3.753 20 10 GHCDRN COC(=O)Cc1c[nH]c2nccc(NCc3cc(Cl)c4cccnc4c3O)c12 ZINC001168526017 871056819 /nfs/dbraw/zinc/05/68/19/871056819.db2.gz PHYGFCNDLVQCHX-UHFFFAOYSA-N 0 0 396.834 3.798 20 10 GHCDRN CC(C)[C@@H]1CCCN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001193499720 871130030 /nfs/dbraw/zinc/13/00/30/871130030.db2.gz ZNTXWGPZOAUXTH-MRXNPFEDSA-N 0 0 390.483 3.769 20 10 GHCDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCNC(=O)c1ccco1 ZINC000181582631 871209139 /nfs/dbraw/zinc/20/91/39/871209139.db2.gz WDLLXFPJUVCXSJ-KRWDZBQOSA-N 0 0 392.455 3.895 20 10 GHCDRN NC(=O)c1sc(-c2ccsc2)cc1NC(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193605794 871210937 /nfs/dbraw/zinc/21/09/37/871210937.db2.gz KUFUDKQMXSHEHA-UHFFFAOYSA-N 0 0 394.861 3.892 20 10 GHCDRN CC(=O)N1CCN(c2ccc(CNC(=O)CC(C)(C)C3CCCCC3)cc2)CC1 ZINC000793922860 882487897 /nfs/dbraw/zinc/48/78/97/882487897.db2.gz FERXAMPYUMLBHC-UHFFFAOYSA-N 0 0 399.579 3.968 20 10 GHCDRN CC(=O)c1cc(F)cc(CN2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC001193672869 871227185 /nfs/dbraw/zinc/22/71/85/871227185.db2.gz ARAWJTQWWMQCLB-BETUJISGSA-N 0 0 380.460 3.564 20 10 GHCDRN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000174664051 882492426 /nfs/dbraw/zinc/49/24/26/882492426.db2.gz KSJHABGHUBTGIV-HNNXBMFYSA-N 0 0 382.439 3.563 20 10 GHCDRN CCOC(=O)C(=Cc1cc(C)c(C)nc1NCCc1cncc(OC)c1)N=[N+]=[N-] ZINC001169263326 871326256 /nfs/dbraw/zinc/32/62/56/871326256.db2.gz RMLJUBIBZCWBMI-ZDLGFXPLSA-N 0 0 396.451 3.971 20 10 GHCDRN Cc1nc(C(=O)Nc2ccc(/C=C/c3ccc(N(C)C)cc3)cc2)c(=O)[nH]c1C ZINC001193967369 871408321 /nfs/dbraw/zinc/40/83/21/871408321.db2.gz BFTHMIDCEAPWLO-AATRIKPKSA-N 0 0 388.471 3.875 20 10 GHCDRN C[C@H]1CN(S(=O)(=O)c2ccc(/N=N/c3ccc(N(C)C)cc3)cc2)CCO1 ZINC001194193714 871549157 /nfs/dbraw/zinc/54/91/57/871549157.db2.gz CERVRTSFWZIFSI-IWKHNONTSA-N 0 0 388.493 3.577 20 10 GHCDRN COC(=O)C1(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000766826909 871867290 /nfs/dbraw/zinc/86/72/90/871867290.db2.gz GTDAGRXWCJKUQO-UHFFFAOYSA-N 0 0 381.388 3.537 20 10 GHCDRN CCOc1cc(/C=C/C(=O)NCc2ccc(N3CCSCC3)cc2)ccc1O ZINC000182123647 871869125 /nfs/dbraw/zinc/86/91/25/871869125.db2.gz XNCWUPATDAZUBY-UXBLZVDNSA-N 0 0 398.528 3.674 20 10 GHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000103413648 871910323 /nfs/dbraw/zinc/91/03/23/871910323.db2.gz NNRHGRQDXYOYHO-UHFFFAOYSA-N 0 0 381.354 3.866 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NS(=O)(=O)c1cccc2nccnc21 ZINC001195015821 872075138 /nfs/dbraw/zinc/07/51/38/872075138.db2.gz SVNCUIRRODINQT-HXUWFJFHSA-N 0 0 397.500 3.554 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000182290476 872134311 /nfs/dbraw/zinc/13/43/11/872134311.db2.gz RWSPPEZLYFRBJN-OAQYLSRUSA-N 0 0 383.467 3.789 20 10 GHCDRN CN1CCCc2cc(CNC(=O)c3cc(Br)cnc3Cl)ccc21 ZINC000101663198 872177257 /nfs/dbraw/zinc/17/72/57/872177257.db2.gz KCXYNLJQYQUXKT-UHFFFAOYSA-N 0 0 394.700 3.810 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@H](C)OC[C@H]2CCCO2)c(C)n1-c1ccc(C)cc1 ZINC000921095211 882591437 /nfs/dbraw/zinc/59/14/37/882591437.db2.gz BARJSFJOXAHPIO-AZUAARDMSA-N 0 0 399.487 3.713 20 10 GHCDRN COc1ccc(CCNC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000101767323 872247640 /nfs/dbraw/zinc/24/76/40/872247640.db2.gz WQQCSRNTQCQSAF-UHFFFAOYSA-N 0 0 380.444 3.948 20 10 GHCDRN CCOC(=O)[C@]12C[C@H]1CCN2C(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195262240 872290726 /nfs/dbraw/zinc/29/07/26/872290726.db2.gz NGPVYZSBNRIDNP-KIDHKYQJSA-N 0 0 379.416 3.975 20 10 GHCDRN Cc1c(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cccc1N1CCOC1=O ZINC000775651160 872343272 /nfs/dbraw/zinc/34/32/72/872343272.db2.gz XXNWRYBHJKFNES-HNNXBMFYSA-N 0 0 382.464 3.900 20 10 GHCDRN CCOC(=O)CN(Cc1ccc(-n2nc(C)cc2C)cc1)Cc1ccccc1O ZINC001195357794 872347733 /nfs/dbraw/zinc/34/77/33/872347733.db2.gz HQKCJRNDOMILGD-UHFFFAOYSA-N 0 0 393.487 3.760 20 10 GHCDRN C[C@@](O)(C1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1)C(F)(F)F ZINC000767307214 872391629 /nfs/dbraw/zinc/39/16/29/872391629.db2.gz WBVOIROHWDPZNF-LJQANCHMSA-N 0 0 399.457 3.522 20 10 GHCDRN Oc1ccc(-c2ccccc2)cc1CNc1cccc(CN2CCOCC2)n1 ZINC000767422467 872508378 /nfs/dbraw/zinc/50/83/78/872508378.db2.gz RBEMORQTXDUEAM-UHFFFAOYSA-N 0 0 375.472 3.899 20 10 GHCDRN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)[N-]OCc2ccccc2)C1 ZINC000767461865 872522839 /nfs/dbraw/zinc/52/28/39/872522839.db2.gz KNFSTIOEMRZCCF-UHFFFAOYSA-N 0 0 377.488 3.656 20 10 GHCDRN CCn1c2ccc(S(=O)(=O)Nc3cc(C(C)C)c(O)cc3C)cc2oc1=O ZINC000767469035 872532205 /nfs/dbraw/zinc/53/22/05/872532205.db2.gz GGNKQRYSTYVZBZ-UHFFFAOYSA-N 0 0 390.461 3.553 20 10 GHCDRN Cc1nc(C)n(-c2ccccc2NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775675439 872719390 /nfs/dbraw/zinc/71/93/90/872719390.db2.gz URVDUKAWVGJWBX-AWEZNQCLSA-N 0 0 378.480 3.833 20 10 GHCDRN CSCc1cccc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000527171519 872775728 /nfs/dbraw/zinc/77/57/28/872775728.db2.gz XFKHWQAFQDKJDN-UHFFFAOYSA-N 0 0 381.501 3.605 20 10 GHCDRN COc1ccc(SC)c(OC)c1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000775679617 872811597 /nfs/dbraw/zinc/81/15/97/872811597.db2.gz NYCVBRYZOCGSJI-UHFFFAOYSA-N 0 0 378.469 3.561 20 10 GHCDRN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCC[C@@H]2CCC(C)C)c1 ZINC000767760335 872817248 /nfs/dbraw/zinc/81/72/48/872817248.db2.gz VVDOFLHPULOVIB-JOCHJYFZSA-N 0 0 388.552 3.828 20 10 GHCDRN C[C@H](CC(=O)NCc1ccccc1O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000767927420 872936505 /nfs/dbraw/zinc/93/65/05/872936505.db2.gz QRZJLOBQJVGDKM-OAHLLOKOSA-N 0 0 376.497 3.682 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)OCC(=O)N(C)Cc3ccco3)c2C)cc1 ZINC000921176094 882668670 /nfs/dbraw/zinc/66/86/70/882668670.db2.gz IUKSBDRUGUCXBI-UHFFFAOYSA-N 0 0 396.443 3.511 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@@H](CC(N)=O)c2ccccc2)cc1 ZINC000794280070 882669160 /nfs/dbraw/zinc/66/91/60/882669160.db2.gz MISGVVAPVNDTRK-NRFANRHFSA-N 0 0 375.472 3.783 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3cc(F)c(F)c(F)c3F)CC2)cc1 ZINC000102381888 872986035 /nfs/dbraw/zinc/98/60/35/872986035.db2.gz AEIQQEXYUCGJCB-UHFFFAOYSA-N 0 0 382.357 3.650 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000176401371 882689651 /nfs/dbraw/zinc/68/96/51/882689651.db2.gz SVJHVDRMHQCOJW-GOSISDBHSA-N 0 0 388.533 3.956 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCn3cncc32)c(C)n1-c1cccc(Br)c1 ZINC000857986212 882691471 /nfs/dbraw/zinc/69/14/71/882691471.db2.gz UROOIOCLKNUDLD-KRWDZBQOSA-N 0 0 399.292 3.928 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2CCn3cncc32)c(C)n1-c1cccc(Br)c1 ZINC000857986213 882691921 /nfs/dbraw/zinc/69/19/21/882691921.db2.gz UROOIOCLKNUDLD-QGZVFWFLSA-N 0 0 399.292 3.928 20 10 GHCDRN Cc1c(Br)cccc1S(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001196567155 873178857 /nfs/dbraw/zinc/17/88/57/873178857.db2.gz VKTGIMQUKSBQJA-ZDUSSCGKSA-N 0 0 397.338 3.863 20 10 GHCDRN O=C(Cc1ccccc1)N1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000768249583 873189726 /nfs/dbraw/zinc/18/97/26/873189726.db2.gz UFNHMTUMDKGRLX-UHFFFAOYSA-N 0 0 377.532 3.564 20 10 GHCDRN CCOC(=O)c1cccc(CNC(=S)Nc2ccc(Br)cc2)n1 ZINC001196635751 873275445 /nfs/dbraw/zinc/27/54/45/873275445.db2.gz KIZAQEOVVLMFNN-UHFFFAOYSA-N 0 0 394.294 3.507 20 10 GHCDRN CCc1nc(CCNC(=O)N(Cc2ccco2)Cc2ccccc2O)cs1 ZINC000102574915 873292975 /nfs/dbraw/zinc/29/29/75/873292975.db2.gz UWDDROQWOVRHGO-UHFFFAOYSA-N 0 0 385.489 3.959 20 10 GHCDRN COc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)sc1Br ZINC000121465293 873295913 /nfs/dbraw/zinc/29/59/13/873295913.db2.gz QLGVBVHXNURSDL-UHFFFAOYSA-N 0 0 387.274 3.654 20 10 GHCDRN COc1cc(O)c(CN2CCN(Cc3ccc(F)cc3Cl)CC2)cc1OC ZINC000768438559 873303464 /nfs/dbraw/zinc/30/34/64/873303464.db2.gz BRNZFFNKTVMRSN-UHFFFAOYSA-N 0 0 394.874 3.520 20 10 GHCDRN COc1cc(O)c(CN2CCc3c(F)cc(Br)cc3C2)cc1OC ZINC000768463379 873331172 /nfs/dbraw/zinc/33/11/72/873331172.db2.gz HVDXOEZNIOAEGO-UHFFFAOYSA-N 0 0 396.256 3.869 20 10 GHCDRN COc1ccc(N2CCN(C(=S)NCc3ccccc3Cl)CC2)cc1 ZINC001196795508 873365892 /nfs/dbraw/zinc/36/58/92/873365892.db2.gz SOXTZWYMXIDCED-UHFFFAOYSA-N 0 0 375.925 3.545 20 10 GHCDRN C[Si](C)(C)CCOCn1ccc2c1ncnc2NCc1ccc(O)c(O)c1 ZINC001169993765 873382007 /nfs/dbraw/zinc/38/20/07/873382007.db2.gz RBLWMOBTCUHYHA-UHFFFAOYSA-N 0 0 386.528 3.767 20 10 GHCDRN COCCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000768553683 873382753 /nfs/dbraw/zinc/38/27/53/873382753.db2.gz FAQLGDHXKCPSRF-UHFFFAOYSA-N 0 0 380.828 3.918 20 10 GHCDRN Cc1cc(C(=O)NCCc2cn3c(n2)SCC3)c(C)n1-c1cc(C)cc(C)c1 ZINC000768647648 873466482 /nfs/dbraw/zinc/46/64/82/873466482.db2.gz MENVOWGJYYXYNC-UHFFFAOYSA-N 0 0 394.544 3.986 20 10 GHCDRN O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)NC1CCOCC1 ZINC000102714676 873475666 /nfs/dbraw/zinc/47/56/66/873475666.db2.gz DKDWTJWDNSTESS-UHFFFAOYSA-N 0 0 397.500 3.579 20 10 GHCDRN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)NCc2ccc(OC)cc2O)CC1=O ZINC000794373027 882730855 /nfs/dbraw/zinc/73/08/55/882730855.db2.gz DYQPWQBSHJZLAH-WBVHZDCISA-N 0 0 396.487 3.584 20 10 GHCDRN COc1cc(CCNC(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)ccn1 ZINC001170446669 882732032 /nfs/dbraw/zinc/73/20/32/882732032.db2.gz LSWPFDOLKWWAKZ-UHFFFAOYSA-N 0 0 391.471 3.591 20 10 GHCDRN COc1ccc(COc2nc(Cl)ncc2NCc2ccc(O)c(O)c2)cc1 ZINC001169996968 873610753 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O=C1[C@@H]([NH2+]Cc2cccc(Br)c2[O-])CCCN1C1CCCCC1 ZINC000785546697 876099749 /nfs/dbraw/zinc/09/97/49/876099749.db2.gz ALUNBYIOEFAEDR-INIZCTEOSA-N 0 0 381.314 3.568 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)c1 ZINC000785550216 876102722 /nfs/dbraw/zinc/10/27/22/876102722.db2.gz YATOVWURVLBISK-QGZVFWFLSA-N 0 0 395.341 3.876 20 10 GHCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c1[O-] ZINC000785614459 876150313 /nfs/dbraw/zinc/15/03/13/876150313.db2.gz JZPABJPFGGKYBQ-CQSZACIVSA-N 0 0 375.183 3.570 20 10 GHCDRN Cc1cc(C[C@@H](C)NC(=O)NCc2cc(C)ccc2O)n(-c2ccccc2)n1 ZINC000858307344 883013841 /nfs/dbraw/zinc/01/38/41/883013841.db2.gz FQBDBOHSRNETPT-MRXNPFEDSA-N 0 0 378.476 3.625 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CCC(=O)c2ccccc21 ZINC000785879665 876288418 /nfs/dbraw/zinc/28/84/18/876288418.db2.gz HHULUFJVFZWSNI-FQEVSTJZSA-N 0 0 380.513 3.616 20 10 GHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)Cn2ncc3ccccc32)cc1 ZINC000107146942 876314987 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HKQYCBORVAZITP-QFIPXVFZSA-N 0 0 381.520 3.764 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CCCCC12CCCC2 ZINC000852351229 878271263 /nfs/dbraw/zinc/27/12/63/878271263.db2.gz KJMSGHWCXULQIR-OAQYLSRUSA-N 0 0 385.552 3.950 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N3CC[C@@H]3c3ccc(F)cc3)C2)cc1 ZINC000852387067 878294873 /nfs/dbraw/zinc/29/48/73/878294873.db2.gz OKDZFFSYCZXECL-HRAATJIYSA-N 0 0 383.467 3.817 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@H](COC)c2ccc(C)o2)cc1F ZINC000746762345 878298173 /nfs/dbraw/zinc/29/81/73/878298173.db2.gz XLCGRSZCHGDZNY-QGZVFWFLSA-N 0 0 377.460 3.760 20 10 GHCDRN CC[C@@H](Cc1ccc(F)cc1)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000852441739 878323851 /nfs/dbraw/zinc/32/38/51/878323851.db2.gz RNTPVIAZFPYPPC-NRFANRHFSA-N 0 0 399.510 3.825 20 10 GHCDRN COc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000852454011 878334783 /nfs/dbraw/zinc/33/47/83/878334783.db2.gz NOTIAZTWOXSXFK-GCJKJVERSA-N 0 0 395.503 3.829 20 10 GHCDRN COc1ccc([C@@H]2CCCN2C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000852454010 878335288 /nfs/dbraw/zinc/33/52/88/878335288.db2.gz NOTIAZTWOXSXFK-AVRDEDQJSA-N 0 0 395.503 3.829 20 10 GHCDRN CC[C@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccc(OC)cc1 ZINC000852455723 878336826 /nfs/dbraw/zinc/33/68/26/878336826.db2.gz VAAZOAGKRRWKOC-UWJYYQICSA-N 0 0 383.492 3.733 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NCc3ccc4occc4c3)CC2)cc1 ZINC000852489815 878373273 /nfs/dbraw/zinc/37/32/73/878373273.db2.gz JXOLIKBMCSSBMO-UHFFFAOYSA-N 0 0 379.460 3.910 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](OC2CCCC2)C(F)(F)F)c1 ZINC000852497505 878376230 /nfs/dbraw/zinc/37/62/30/878376230.db2.gz WHHOMYMMVRMXLA-BZNIZROVSA-N 0 0 390.402 3.651 20 10 GHCDRN Cc1cc(C)c(CNC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2NC(=O)OC(C)(C)C)c(O)c1 ZINC001183196647 912344747 /nfs/dbraw/zinc/34/47/47/912344747.db2.gz VPTZMHGKICSPHB-LVFSCSRESA-N 0 0 388.508 3.565 20 10 GHCDRN C[C@@H](NC(=O)N1CCSC(C)(C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000788909904 878447331 /nfs/dbraw/zinc/44/73/31/878447331.db2.gz TYFQHUBCRIXHOM-MRXNPFEDSA-N 0 0 377.554 3.511 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)NC1CCC2(CC2(F)F)CC1 ZINC000852607754 878464460 /nfs/dbraw/zinc/46/44/60/878464460.db2.gz MZGMILWBVZCNIL-UHFFFAOYSA-N 0 0 389.240 3.922 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N[C@H](C)C3CCC(F)CC3)CC2)cc1 ZINC000852632802 878484978 /nfs/dbraw/zinc/48/49/78/878484978.db2.gz HWBKXZYNFSIOKU-KLAILNCOSA-N 0 0 377.504 3.880 20 10 GHCDRN CC(C)c1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000068462506 878567323 /nfs/dbraw/zinc/56/73/23/878567323.db2.gz PMBIULRZNFGLJT-KRWDZBQOSA-N 0 0 388.533 3.686 20 10 GHCDRN Nc1ccc(Cc2nc(C(=O)N3CCC([C@@H]4CCCCO4)CC3)cs2)cc1 ZINC000852863291 878637225 /nfs/dbraw/zinc/63/72/25/878637225.db2.gz SXRRUSBJYIPZJV-IBGZPJMESA-N 0 0 385.533 3.737 20 10 GHCDRN Cc1nc2ccc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc2nc1C ZINC000068512956 878656425 /nfs/dbraw/zinc/65/64/25/878656425.db2.gz GNWLVDPVWNNKRG-QGZVFWFLSA-N 0 0 390.487 3.574 20 10 GHCDRN COc1ccc(O)c(CNC(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)c1 ZINC000180286414 878746304 /nfs/dbraw/zinc/74/63/04/878746304.db2.gz VQXBPQRNRLSBRB-UHFFFAOYSA-N 0 0 390.399 3.926 20 10 GHCDRN CCOc1ccc(NC(=S)NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000853041175 878766946 /nfs/dbraw/zinc/76/69/46/878766946.db2.gz SFRCBQUPSNDVJL-UHFFFAOYSA-N 0 0 385.533 3.533 20 10 GHCDRN CSCCCCCCNC(=S)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000853041114 878767668 /nfs/dbraw/zinc/76/76/68/878767668.db2.gz POMXEMWYIQHRML-UHFFFAOYSA-N 0 0 395.638 3.535 20 10 GHCDRN COC(=O)[C@H](NCc1ccc(OC)c(C)c1)c1ccccc1Br ZINC000853076946 878795763 /nfs/dbraw/zinc/79/57/63/878795763.db2.gz RBFDCOAMMNJIAM-QGZVFWFLSA-N 0 0 378.266 3.770 20 10 GHCDRN Cc1ccc(CC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1O ZINC000180345578 878799683 /nfs/dbraw/zinc/79/96/83/878799683.db2.gz JIEQYINZLXCQJF-INIZCTEOSA-N 0 0 390.430 3.630 20 10 GHCDRN CC(=O)c1ccc(C(F)(F)F)nc1N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000853095842 878811986 /nfs/dbraw/zinc/81/19/86/878811986.db2.gz ANGPZRFIODQDTJ-UHFFFAOYSA-N 0 0 393.409 3.776 20 10 GHCDRN Cc1cc(C)n(-c2ccc(CC(=O)NCc3ccc(N(C)C)c(F)c3)cc2)n1 ZINC000746805331 878877522 /nfs/dbraw/zinc/87/75/22/878877522.db2.gz SKSIVRAPICBHDH-UHFFFAOYSA-N 0 0 380.467 3.553 20 10 GHCDRN CCOc1ccc(OC(C)(C)C(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000746812692 878935024 /nfs/dbraw/zinc/93/50/24/878935024.db2.gz GTWOABQWNONMIG-UHFFFAOYSA-N 0 0 382.504 3.942 20 10 GHCDRN Cc1ccccc1C1(C(=O)NCc2ccc3c(c2)CCCN3C)CCOCC1 ZINC000746814245 878983008 /nfs/dbraw/zinc/98/30/08/878983008.db2.gz IXWFVAYBOJIPQW-UHFFFAOYSA-N 0 0 378.516 3.742 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)O[C@@H](C)CNC(=O)c1cccnc1 ZINC000761508664 879192291 /nfs/dbraw/zinc/19/22/91/879192291.db2.gz ORRZKVOMCRTUPQ-HNNXBMFYSA-N 0 0 383.473 3.526 20 10 GHCDRN COCC1(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCCC1 ZINC000853642216 879199959 /nfs/dbraw/zinc/19/99/59/879199959.db2.gz CKINYTOWUOISOV-UHFFFAOYSA-N 0 0 397.466 3.515 20 10 GHCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2n[nH]c3c2CCCCC3)cc1 ZINC000789752603 879265339 /nfs/dbraw/zinc/26/53/39/879265339.db2.gz SFENCLUJUQCMGE-LJQANCHMSA-N 0 0 396.535 3.566 20 10 GHCDRN COc1ccc(O)c(CN2CCN(C(=O)c3cc4ccccc4s3)CC2)c1 ZINC000789773407 879288722 /nfs/dbraw/zinc/28/87/22/879288722.db2.gz IAUXBKJGTHKPAD-UHFFFAOYSA-N 0 0 382.485 3.574 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3cc(-c4c(F)cccc4F)no3)CC2)cc1 ZINC001127277227 879289329 /nfs/dbraw/zinc/28/93/29/879289329.db2.gz XHDPWVLMQQUNPA-UHFFFAOYSA-N 0 0 399.397 3.591 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC000789880614 879310926 /nfs/dbraw/zinc/31/09/26/879310926.db2.gz DBPPJTKPBWDQHF-JOCHJYFZSA-N 0 0 382.504 3.973 20 10 GHCDRN CCOc1cccc(CN2C[C@@H](CCN3CCCC3=O)c3ccccc32)c1O ZINC000180775838 879317037 /nfs/dbraw/zinc/31/70/37/879317037.db2.gz VEVOZSGNNXZLOD-QGZVFWFLSA-N 0 0 380.488 3.907 20 10 GHCDRN CCOc1ccc(CNc2ccc(C(=O)N3CCSCC3)cc2C)c(O)c1 ZINC000789890556 879316900 /nfs/dbraw/zinc/31/69/00/879316900.db2.gz ONZYZOMJLBBVLX-UHFFFAOYSA-N 0 0 386.517 3.900 20 10 GHCDRN CC(C)c1noc(-c2ccnc(NCc3ccc(N4CCC(O)CC4)cc3)c2)n1 ZINC000853955428 879398262 /nfs/dbraw/zinc/39/82/62/879398262.db2.gz DNQPHOULBQWTAX-UHFFFAOYSA-N 0 0 393.491 3.828 20 10 GHCDRN COC(=O)/C=C/c1ccc(N2CC3(CCC3)[C@@H]2c2ccncc2)c([N+](=O)[O-])c1 ZINC000853997973 879430007 /nfs/dbraw/zinc/43/00/07/879430007.db2.gz RHFJZOYNDPGRFF-XXIDSNJLSA-N 0 0 379.416 3.908 20 10 GHCDRN C[C@]1(c2ccccc2)CN(C(=O)NCCCSc2nccs2)CCO1 ZINC000152595791 879434805 /nfs/dbraw/zinc/43/48/05/879434805.db2.gz CRZLZWJSKNWUST-GOSISDBHSA-N 0 0 377.535 3.583 20 10 GHCDRN COCCN(C)c1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cn1 ZINC000790106342 879441439 /nfs/dbraw/zinc/44/14/39/879441439.db2.gz DIODKDVNKKCNSX-ATVHPVEESA-N 0 0 399.541 3.878 20 10 GHCDRN Cc1cc(Cc2nc(Cc3nc(C4CC4)nn3C)no2)c(C)n1-c1ccccc1 ZINC000854069489 879497636 /nfs/dbraw/zinc/49/76/36/879497636.db2.gz XGBFIMINMCMTAY-UHFFFAOYSA-N 0 0 388.475 3.665 20 10 GHCDRN Cc1ccccc1-c1nc(CNC(=O)NCc2c(O)ccc3c2CCCC3)no1 ZINC000854105526 879539792 /nfs/dbraw/zinc/53/97/92/879539792.db2.gz CRYHVVHAWMMVFZ-UHFFFAOYSA-N 0 0 392.459 3.629 20 10 GHCDRN CCOc1ccc(-n2c(C)cc(C(=O)Cn3cnc(C)c(C)c3=O)c2C)cc1 ZINC000790277819 879563971 /nfs/dbraw/zinc/56/39/71/879563971.db2.gz UIULFDOYMZRKPB-UHFFFAOYSA-N 0 0 379.460 3.549 20 10 GHCDRN C[C@H]1CCSCCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000790283816 879567120 /nfs/dbraw/zinc/56/71/20/879567120.db2.gz KMJUCHVQYQDCSF-AWEZNQCLSA-N 0 0 399.507 3.794 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccc(OC(F)F)cc3)C2)cc1 ZINC000854185669 879617091 /nfs/dbraw/zinc/61/70/91/879617091.db2.gz GLRMAACGTCLTRF-CQSZACIVSA-N 0 0 377.391 3.697 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Cc3nc(-c4ccccc4)cs3)CC2)cc1 ZINC000854199080 879623226 /nfs/dbraw/zinc/62/32/26/879623226.db2.gz VYGIYEDWKWGLSK-UHFFFAOYSA-N 0 0 393.512 3.710 20 10 GHCDRN Cc1cc(CCNS(=O)(=O)Cc2csc(C)n2)c(C)n1-c1ccccc1 ZINC000790337672 879638375 /nfs/dbraw/zinc/63/83/75/879638375.db2.gz XDDUDHWKRPTWMU-UHFFFAOYSA-N 0 0 389.546 3.521 20 10 GHCDRN CCOc1cccc(CN2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1O ZINC000093865439 912482122 /nfs/dbraw/zinc/48/21/22/912482122.db2.gz ZAOBVJPVINHAGW-GOSISDBHSA-N 0 0 379.403 3.966 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3nn(-c4ccccc4)cc3C)C2)cc1 ZINC000854300987 879704861 /nfs/dbraw/zinc/70/48/61/879704861.db2.gz FUCZDGXFONVPII-KRWDZBQOSA-N 0 0 391.475 3.590 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N3CCCCC[C@H]3c3ccncc3)C2)cc1 ZINC000854301052 879704905 /nfs/dbraw/zinc/70/49/05/879704905.db2.gz GYNZJJGLZIQYCF-UGKGYDQZSA-N 0 0 394.519 3.996 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3cccc(Cl)c3OC)C2)cc1 ZINC000854301160 879705107 /nfs/dbraw/zinc/70/51/07/879705107.db2.gz JOEDZKOYMHHCPY-CYBMUJFWSA-N 0 0 375.856 3.758 20 10 GHCDRN COc1cc(C)nc(/C=C2\SC(=S)N(CCc3cccs3)C2=O)c1 ZINC000776726791 879739197 /nfs/dbraw/zinc/73/91/97/879739197.db2.gz NOMOQYJHJDTXEP-GDNBJRDFSA-N 0 0 376.528 3.904 20 10 GHCDRN CON1CCC(CC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CC1 ZINC000854345346 879743391 /nfs/dbraw/zinc/74/33/91/879743391.db2.gz VZYQQJRXJLANJL-INIZCTEOSA-N 0 0 393.959 3.856 20 10 GHCDRN CCOC(=O)c1csc([C@H]2CCCN2Cc2c(O)ccc3ccncc32)n1 ZINC000790482924 879756073 /nfs/dbraw/zinc/75/60/73/879756073.db2.gz ORLAGIAZTOXQFG-QGZVFWFLSA-N 0 0 383.473 3.911 20 10 GHCDRN C[C@@H](NC(=O)Cc1ccc(Cl)c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000790545348 879839835 /nfs/dbraw/zinc/83/98/35/879839835.db2.gz CYORYWHUOMKDRF-CQSZACIVSA-N 0 0 376.859 3.736 20 10 GHCDRN O=C1/C(=C\c2cnn(Cc3ccccc3)c2Cl)SC(=S)N1C1CC1 ZINC000790590128 879846068 /nfs/dbraw/zinc/84/60/68/879846068.db2.gz JOWHIBQIQAGFDM-RIYZIHGNSA-N 0 0 375.906 3.948 20 10 GHCDRN Cc1cc(CC(=O)NCC2CCN(CC(F)F)CC2)c(C)n1-c1ccccc1 ZINC000854500589 879856150 /nfs/dbraw/zinc/85/61/50/879856150.db2.gz PXTRMTIICJJFFL-UHFFFAOYSA-N 0 0 389.490 3.730 20 10 GHCDRN Cc1nn(C)c(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1Br ZINC000790601530 879856127 /nfs/dbraw/zinc/85/61/27/879856127.db2.gz NAHKHCSAQXHLFV-WQLSENKSSA-N 0 0 394.319 3.897 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)Oc2ccccc2Br)c1 ZINC000112393748 879929477 /nfs/dbraw/zinc/92/94/77/879929477.db2.gz RSOSBMVSCDHLIB-RYUDHWBXSA-N 0 0 394.265 3.808 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000181154573 879985852 /nfs/dbraw/zinc/98/58/52/879985852.db2.gz BOOKZEJZQHQXON-SUQGKYDKSA-N 0 0 393.361 3.730 20 10 GHCDRN COc1cccc([C@H](NC(=O)c2cccc(O)c2O)c2cc(F)ccc2OC)c1 ZINC000790838538 880011616 /nfs/dbraw/zinc/01/16/16/880011616.db2.gz HKAAJFWVKFUDLZ-FQEVSTJZSA-N 0 0 397.402 3.774 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccnc1OCc1ccccc1F ZINC000790866562 880035027 /nfs/dbraw/zinc/03/50/27/880035027.db2.gz OIKWCYDCQYHXKD-CQSZACIVSA-N 0 0 396.418 3.572 20 10 GHCDRN O=C(c1cccc(O)c1O)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000790937976 880069105 /nfs/dbraw/zinc/06/91/05/880069105.db2.gz JZFMLHACAKOZMA-UHFFFAOYSA-N 0 0 382.641 3.712 20 10 GHCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000790955732 880098057 /nfs/dbraw/zinc/09/80/57/880098057.db2.gz LGABWWPWLVSNDV-LLVKDONJSA-N 0 0 393.764 3.733 20 10 GHCDRN C[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000790970766 880113458 /nfs/dbraw/zinc/11/34/58/880113458.db2.gz FPBVUUJAVGXORN-AUUYWEPGSA-N 0 0 378.875 3.564 20 10 GHCDRN Cc1cc(C(=O)N2C[C@H](C)OC3(CCOCC3)C2)c(C)n1-c1cccc(C)c1 ZINC000791058417 880183028 /nfs/dbraw/zinc/18/30/28/880183028.db2.gz DWFUQAJBMPONET-SFHVURJKSA-N 0 0 382.504 3.813 20 10 GHCDRN O=C(Nc1cc(Br)cc(C(=O)N2CCCC2)c1)C1=CC(=O)CS1 ZINC000791104928 880211090 /nfs/dbraw/zinc/21/10/90/880211090.db2.gz VDRQOACPDURYDF-UHFFFAOYSA-N 0 0 395.278 3.705 20 10 GHCDRN Cc1noc(C)c1CSc1ccccc1C(=O)N1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000791182450 880261462 /nfs/dbraw/zinc/26/14/62/880261462.db2.gz OHEOIMRKZBSVQT-WUPCIBROSA-N 0 0 392.546 3.565 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1sccc1OC ZINC000791249868 880283629 /nfs/dbraw/zinc/28/36/29/880283629.db2.gz KBLDCTPAMMBYFF-UHFFFAOYSA-N 0 0 390.505 3.759 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)C3=CC(=O)CS3)CC2)C1 ZINC000855148142 880302714 /nfs/dbraw/zinc/30/27/14/880302714.db2.gz XGFUQSRLTZKPGJ-OAHLLOKOSA-N 0 0 394.537 3.953 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(Cl)o1 ZINC000791245644 880305093 /nfs/dbraw/zinc/30/50/93/880305093.db2.gz CROZHPCCZITBGF-UHFFFAOYSA-N 0 0 378.856 3.935 20 10 GHCDRN CC(=O)NCc1ccc(CNC(=O)Cc2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000855208331 880358269 /nfs/dbraw/zinc/35/82/69/880358269.db2.gz ZFHRNUVARALLSE-UHFFFAOYSA-N 0 0 389.499 3.589 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3ccccc3N3CCCCC3)C2)cc1 ZINC000855225369 880369975 /nfs/dbraw/zinc/36/99/75/880369975.db2.gz KJZSGJRLQUGQLQ-SFHVURJKSA-N 0 0 379.504 3.694 20 10 GHCDRN COc1ccc([C@@H]2C[C@H]2CC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000855227612 880371072 /nfs/dbraw/zinc/37/10/72/880371072.db2.gz YSWCMOIYNGTKKP-SVMVAKDDSA-N 0 0 380.488 3.593 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3cc(C(F)(F)F)cnc3Cl)C2)cc1 ZINC000855228174 880371792 /nfs/dbraw/zinc/37/17/92/880371792.db2.gz WXNVAKNNYFHFPS-LBPRGKRZSA-N 0 0 399.800 3.771 20 10 GHCDRN CCCOc1ccc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c(OC)c1 ZINC000855227811 880371962 /nfs/dbraw/zinc/37/19/62/880371962.db2.gz ZMTZJBKNNNUMMY-INIZCTEOSA-N 0 0 384.476 3.501 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)CCc3c[nH]c4cc(C)ccc34)C2)cc1 ZINC000855229982 880374479 /nfs/dbraw/zinc/37/44/79/880374479.db2.gz DIOKBFHMMHTKRG-SFHVURJKSA-N 0 0 377.488 3.813 20 10 GHCDRN CC[C@@H](C)n1ncc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1C1CC1 ZINC000855233721 880378987 /nfs/dbraw/zinc/37/89/87/880378987.db2.gz LGWNHHVXFGDXEX-NVXWUHKLSA-N 0 0 382.508 3.749 20 10 GHCDRN Cn1c(CC[NH2+]Cc2cccc(Br)c2[O-])nc2c1cccc2F ZINC000113358700 880522924 /nfs/dbraw/zinc/52/29/24/880522924.db2.gz YQEBUZCKCXAQMI-UHFFFAOYSA-N 0 0 378.245 3.513 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000855678303 880672437 /nfs/dbraw/zinc/67/24/37/880672437.db2.gz XJCTUCNMWMNLBD-DENIHFKCSA-N 0 0 393.531 3.958 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)NCc3c(C4CC4)cnn3C)c2C)cc1 ZINC000855792625 880760825 /nfs/dbraw/zinc/76/08/25/880760825.db2.gz QFSNMHBYLYWGOC-UHFFFAOYSA-N 0 0 378.476 3.644 20 10 GHCDRN CN(c1ccc(CNC(=O)CCc2ccccc2C(N)=O)cc1)C1CCCCC1 ZINC000792098396 880927275 /nfs/dbraw/zinc/92/72/75/880927275.db2.gz ZJBFNVZEUNUNKO-UHFFFAOYSA-N 0 0 393.531 3.803 20 10 GHCDRN COC(=O)[C@H](NCc1ccc(OCc2ccccc2)cc1O)c1cccc(O)c1 ZINC000792182184 880969779 /nfs/dbraw/zinc/96/97/79/880969779.db2.gz XWFONEKYTRMRJF-JOCHJYFZSA-N 0 0 393.439 3.681 20 10 GHCDRN Cc1cc2occ(CC(=O)NCc3ccc(N4CCC(O)CC4)cc3)c2cc1C ZINC000856210253 881043779 /nfs/dbraw/zinc/04/37/79/881043779.db2.gz UHSKSRVRFQOKAR-UHFFFAOYSA-N 0 0 392.499 3.870 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCc2c1cccc2Cl ZINC000856212546 881047105 /nfs/dbraw/zinc/04/71/05/881047105.db2.gz MLRYNGZQUYUNSV-HXUWFJFHSA-N 0 0 384.907 3.647 20 10 GHCDRN CCc1ccc(C(C)(C)C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000856212473 881047150 /nfs/dbraw/zinc/04/71/50/881047150.db2.gz NECRZENJBIEEJK-UHFFFAOYSA-N 0 0 380.532 3.804 20 10 GHCDRN Cc1cc(C(=O)CN(C)C2(CO)CCOCC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000792409158 881082985 /nfs/dbraw/zinc/08/29/85/881082985.db2.gz KIWYMWFCDRAMKM-UHFFFAOYSA-N 0 0 398.547 3.874 20 10 GHCDRN Cc1cc(C)cc(C(=O)NCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000010962978 881201402 /nfs/dbraw/zinc/20/14/02/881201402.db2.gz GFCHISCHZVJGNO-UHFFFAOYSA-N 0 0 393.531 3.682 20 10 GHCDRN CCSc1ccccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000919970826 881314960 /nfs/dbraw/zinc/31/49/60/881314960.db2.gz DXBBUKYUUJHXPE-UHFFFAOYSA-N 0 0 388.508 3.829 20 10 GHCDRN O=C(NCCCSc1nccs1)c1cc(Br)cnc1Cl ZINC000114375876 881336741 /nfs/dbraw/zinc/33/67/41/881336741.db2.gz ODSIVBLUFNPAKG-UHFFFAOYSA-N 0 0 392.731 3.866 20 10 GHCDRN CC(C)CC(=O)N[C@H](C(=O)NCCCSc1nccs1)c1ccccc1 ZINC000114374748 881337000 /nfs/dbraw/zinc/33/70/00/881337000.db2.gz AMBCKXKSYPEKAD-KRWDZBQOSA-N 0 0 391.562 3.645 20 10 GHCDRN C[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCOCC1)c1ccc(Cl)cc1[O-] ZINC000858493402 883147714 /nfs/dbraw/zinc/14/77/14/883147714.db2.gz SZICZKYJZLIJKT-ZDUSSCGKSA-N 0 0 384.904 3.770 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000914455075 883204770 /nfs/dbraw/zinc/20/47/70/883204770.db2.gz JILPMHQFAMETKA-UHFFFAOYSA-N 0 0 392.455 3.959 20 10 GHCDRN CC[C@H]([NH2+]C(c1ccnn1C)c1ccnn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000858585876 883215636 /nfs/dbraw/zinc/21/56/36/883215636.db2.gz PBUNKVKDCIAZGA-AWEZNQCLSA-N 0 0 394.306 3.996 20 10 GHCDRN COc1ccc2c(c1)CC[C@@H]2C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000858589880 883218415 /nfs/dbraw/zinc/21/84/15/883218415.db2.gz BBRZHCUHCLBTNQ-NRFANRHFSA-N 0 0 382.529 3.595 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000858593017 883221469 /nfs/dbraw/zinc/22/14/69/883221469.db2.gz QRKFJSILXLUVAR-LJQANCHMSA-N 0 0 392.459 3.534 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)[C@@H](C)OCc3ccc(C)cc3)CC2)cc1 ZINC000858667143 883268270 /nfs/dbraw/zinc/26/82/70/883268270.db2.gz MKSWASJHIONKDV-LJQANCHMSA-N 0 0 382.504 3.648 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)[C@H]3[C@@H]4c5cccc(Cl)c5C[C@H]34)CC2)cc1 ZINC000858667618 883269100 /nfs/dbraw/zinc/26/91/00/883269100.db2.gz UTTJLSPZFKXTCR-KSEOMHKRSA-N 0 0 396.918 3.973 20 10 GHCDRN COc1cccc(/C(C)=C/C(=O)NCc2cc(Br)ccc2O)c1 ZINC000804739071 883298922 /nfs/dbraw/zinc/29/89/22/883298922.db2.gz PJIGSAJQVZIYAA-XYOKQWHBSA-N 0 0 376.250 3.883 20 10 GHCDRN COc1cccc([C@@H]2C[C@H]2C(=O)NCc2cc(Br)ccc2O)c1 ZINC000804733675 883315198 /nfs/dbraw/zinc/31/51/98/883315198.db2.gz XLPOYXXPIIPOAX-JKSUJKDBSA-N 0 0 376.250 3.583 20 10 GHCDRN O=C(COC/C=C/c1ccccc1)NCc1cc(Br)ccc1O ZINC000804733104 883315212 /nfs/dbraw/zinc/31/52/12/883315212.db2.gz IVOQUYDUXDCVGZ-QPJJXVBHSA-N 0 0 376.250 3.501 20 10 GHCDRN C[C@@H](CC(=O)c1ccccc1F)C(=O)NCc1cc(Br)ccc1O ZINC000804733147 883315673 /nfs/dbraw/zinc/31/56/73/883315673.db2.gz JYNYYXPLCAVJDI-NSHDSACASA-N 0 0 394.240 3.819 20 10 GHCDRN C/C(=C/C(=O)NCc1cc(Br)ccc1O)c1ccc([N+](=O)[O-])cc1 ZINC000804732898 883315690 /nfs/dbraw/zinc/31/56/90/883315690.db2.gz DVYLKKKQOUJILW-FLIBITNWSA-N 0 0 391.221 3.783 20 10 GHCDRN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(Br)ccc1O ZINC000804735112 883317831 /nfs/dbraw/zinc/31/78/31/883317831.db2.gz LPLHUTKNIHKPBV-DHZHZOJOSA-N 0 0 391.221 3.783 20 10 GHCDRN COc1ccc([C@H](C)CC(=O)NCc2cc(Br)ccc2O)cc1 ZINC000804737581 883319394 /nfs/dbraw/zinc/31/93/94/883319394.db2.gz LTGWLPMESCQGEF-GFCCVEGCSA-N 0 0 378.266 3.973 20 10 GHCDRN Oc1ccc(Br)cc1CNc1cc(-c2ccccc2)nc2ncnn21 ZINC000804827912 883390453 /nfs/dbraw/zinc/39/04/53/883390453.db2.gz XMURCIPUVIEKER-UHFFFAOYSA-N 0 0 396.248 3.872 20 10 GHCDRN COc1ccc([C@H](C)NC(=O)NCc2cc(Br)ccc2O)cc1F ZINC000804866632 883406116 /nfs/dbraw/zinc/40/61/16/883406116.db2.gz UCUFJQYGLWADOF-JTQLQIEISA-N 0 0 397.244 3.863 20 10 GHCDRN Cc1cc(CNC(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C)c(C)n1-c1ccccc1 ZINC000858906014 883445452 /nfs/dbraw/zinc/44/54/52/883445452.db2.gz NCRWTZOJBKOETB-KRWDZBQOSA-N 0 0 384.524 3.539 20 10 GHCDRN C[C@@H](CCc1ccc(O)cc1)NC(=O)NCc1cc(Br)ccc1O ZINC000804898034 883462891 /nfs/dbraw/zinc/46/28/91/883462891.db2.gz AYJWXINXAHOIDE-LBPRGKRZSA-N 0 0 393.281 3.681 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cccc(-n4cccc4)c3)C2)cc1 ZINC001129990463 883465996 /nfs/dbraw/zinc/46/59/96/883465996.db2.gz CANWQDJLOYOQPQ-SFHVURJKSA-N 0 0 375.472 3.742 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@H]2CCC(=O)C[C@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000760555483 883478459 /nfs/dbraw/zinc/47/84/59/883478459.db2.gz PFNNQXKDNASLSK-YJYMSZOUSA-N 0 0 385.435 3.964 20 10 GHCDRN Cc1nc(Cl)ccc1S(=O)(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000804971663 883518471 /nfs/dbraw/zinc/51/84/71/883518471.db2.gz JZHLHGPRRDRPMC-UHFFFAOYSA-N 0 0 379.913 3.512 20 10 GHCDRN CC(C)c1nocc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000859098241 883586292 /nfs/dbraw/zinc/58/62/92/883586292.db2.gz CJTBUMOYNFEPLJ-UHFFFAOYSA-N 0 0 379.407 3.798 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000805152966 883628452 /nfs/dbraw/zinc/62/84/52/883628452.db2.gz TVRBSIFJXLKDCT-XJKSGUPXSA-N 0 0 375.266 3.585 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2Cc3ccccc3O2)cc1 ZINC000914491639 883680254 /nfs/dbraw/zinc/68/02/54/883680254.db2.gz NTTJIAMZVZDUSR-JOCHJYFZSA-N 0 0 376.456 3.878 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccccc1OC(F)(F)F ZINC000054386478 883712870 /nfs/dbraw/zinc/71/28/70/883712870.db2.gz SXHMEJQTWMMDJL-UHFFFAOYSA-N 0 0 395.381 3.744 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCCc2sc(C)nc2C)cc1 ZINC000859288501 883719023 /nfs/dbraw/zinc/71/90/23/883719023.db2.gz WFHXMLJDAODERD-UHFFFAOYSA-N 0 0 395.528 3.881 20 10 GHCDRN CC(C)C[C@@H]1C[C@@H](NC(=O)NCc2cc(Br)ccc2O)CCO1 ZINC000805270469 883729749 /nfs/dbraw/zinc/72/97/49/883729749.db2.gz XNUKCSUHUQERFT-LSDHHAIUSA-N 0 0 385.302 3.548 20 10 GHCDRN O=C(NCCCSc1nccs1)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000859351092 883766806 /nfs/dbraw/zinc/76/68/06/883766806.db2.gz AQCGONXZIOKXBG-JTQLQIEISA-N 0 0 390.456 3.534 20 10 GHCDRN Cc1cc(C(=O)NCCCSc2nccs2)c(C)n1[C@@H]1CCCOC1 ZINC000859350465 883767292 /nfs/dbraw/zinc/76/72/92/883767292.db2.gz BHHNFTVBDOODTK-OAHLLOKOSA-N 0 0 379.551 3.825 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)NC[C@@H]1CCC2(CCCCC2)O1 ZINC000805342356 883768614 /nfs/dbraw/zinc/76/86/14/883768614.db2.gz WWFAOBPFEJQCNF-HNNXBMFYSA-N 0 0 397.313 3.836 20 10 GHCDRN COCCCn1ccc(NC(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)n1 ZINC000859436058 883811250 /nfs/dbraw/zinc/81/12/50/883811250.db2.gz XHEQTSYPYGOUQA-UHFFFAOYSA-N 0 0 394.475 3.700 20 10 GHCDRN CCOc1cccc(CCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000859460014 883827522 /nfs/dbraw/zinc/82/75/22/883827522.db2.gz KTYNVYPBFRWRFI-UHFFFAOYSA-N 0 0 396.531 3.543 20 10 GHCDRN COc1ccc(NNC(=S)Nc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000783749857 883934323 /nfs/dbraw/zinc/93/43/23/883934323.db2.gz VWQCJVHEDRCXLX-UHFFFAOYSA-N 0 0 397.254 3.679 20 10 GHCDRN CSC1(CNC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)CCOCC1 ZINC000859619821 883948387 /nfs/dbraw/zinc/94/83/87/883948387.db2.gz VXHXFGXGNUSODT-UHFFFAOYSA-N 0 0 386.517 3.549 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@@](C)(O)c2cccs2)cc1 ZINC000859742070 884027835 /nfs/dbraw/zinc/02/78/35/884027835.db2.gz OPQACWCVXCNPMC-JOCHJYFZSA-N 0 0 396.512 3.535 20 10 GHCDRN CCc1c(NC(=O)N2CCOc3cc(N(C)C)ccc32)cnn1CCC(C)C ZINC000494866301 884093710 /nfs/dbraw/zinc/09/37/10/884093710.db2.gz SFVVENLIGPKDRY-UHFFFAOYSA-N 0 0 385.512 3.989 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](C)NC(=O)c1ccccc1 ZINC000918657768 884126077 /nfs/dbraw/zinc/12/60/77/884126077.db2.gz HMEDNUYNSWXVKY-GOSISDBHSA-N 0 0 381.520 3.698 20 10 GHCDRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000176560306 884140161 /nfs/dbraw/zinc/14/01/61/884140161.db2.gz HKQDBPZZGSZEAN-QGZVFWFLSA-N 0 0 397.567 3.704 20 10 GHCDRN COC(=O)CCC1CCN(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)CC1 ZINC000859960476 884213016 /nfs/dbraw/zinc/21/30/16/884213016.db2.gz QQIWXUIAGNERKG-UHFFFAOYSA-N 0 0 396.487 3.712 20 10 GHCDRN COCCn1nc(C)c(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1C ZINC000176567379 884277947 /nfs/dbraw/zinc/27/79/47/884277947.db2.gz WGFAOTDYHCMCDF-UHFFFAOYSA-N 0 0 384.455 3.945 20 10 GHCDRN Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c(C)n1-c1ccccn1 ZINC000914613725 884350893 /nfs/dbraw/zinc/35/08/93/884350893.db2.gz JKHDWRPZKOKSON-AWEZNQCLSA-N 0 0 398.850 3.722 20 10 GHCDRN Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cccnc2Cl)c(C)n1-c1ccccn1 ZINC000914614160 884352327 /nfs/dbraw/zinc/35/23/27/884352327.db2.gz ZMIOJQIFQFFMPN-CQSZACIVSA-N 0 0 398.850 3.722 20 10 GHCDRN CC[C@H]([NH2+][C@H]1CCN(c2cc(C)nn2C)C1=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000806146567 884406430 /nfs/dbraw/zinc/40/64/30/884406430.db2.gz CBYHIWCGGARPMH-GJZGRUSLSA-N 0 0 397.306 3.587 20 10 GHCDRN CC[C@H]([NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000806155065 884412585 /nfs/dbraw/zinc/41/25/85/884412585.db2.gz MEJPYBLYWJGNRS-VFVAKGGASA-N 0 0 397.306 3.667 20 10 GHCDRN CC[C@H]([NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000806155061 884412854 /nfs/dbraw/zinc/41/28/54/884412854.db2.gz MEJPYBLYWJGNRS-HNHYXYPQSA-N 0 0 397.306 3.667 20 10 GHCDRN COc1ccc([C@@H]2C[C@H]2CC(=O)N(C)CCN(C)c2ccc(OC)cc2)cc1 ZINC001130547840 884432134 /nfs/dbraw/zinc/43/21/34/884432134.db2.gz RCAUPDQESSUZMN-AVRDEDQJSA-N 0 0 382.504 3.792 20 10 GHCDRN COc1cc(Br)cc(CNc2ccc([C@@H](C)CC(N)=O)cc2)c1O ZINC000897836584 884482233 /nfs/dbraw/zinc/48/22/33/884482233.db2.gz CCIXTOPLSJRVMF-NSHDSACASA-N 0 0 393.281 3.754 20 10 GHCDRN O=C(NCCC(F)(F)F)[C@H]1CC12CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001275248902 912832625 /nfs/dbraw/zinc/83/26/25/912832625.db2.gz UXPILQXRESHJCW-CQSZACIVSA-N 0 0 390.833 3.716 20 10 GHCDRN CC(C)CCn1ccc(NC(=O)NCc2cc(Br)ccc2O)n1 ZINC000806355262 884577787 /nfs/dbraw/zinc/57/77/87/884577787.db2.gz QAOJBKREPUBMMF-UHFFFAOYSA-N 0 0 381.274 3.719 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000914725069 884616529 /nfs/dbraw/zinc/61/65/29/884616529.db2.gz GPQGZOZMKUZREA-LJQANCHMSA-N 0 0 385.552 3.671 20 10 GHCDRN COc1ccc(NC(=O)NCc2cc(C)ccc2O)cc1OCC(F)(F)F ZINC000860400555 884641256 /nfs/dbraw/zinc/64/12/56/884641256.db2.gz SEHICCUVVHMPAO-UHFFFAOYSA-N 0 0 384.354 3.972 20 10 GHCDRN CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3nccc(C)n3)c2C)cc1 ZINC000795801749 912846851 /nfs/dbraw/zinc/84/68/51/912846851.db2.gz VBUGOUOXABNIRM-UHFFFAOYSA-N 0 0 393.443 3.631 20 10 GHCDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cc(Br)ccc1O ZINC000806429485 884666886 /nfs/dbraw/zinc/66/68/86/884666886.db2.gz VJWXXKOKLOCFDK-UHFFFAOYSA-N 0 0 380.198 3.693 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cn1ccc(=O)c2ccccc21 ZINC000138234120 884743529 /nfs/dbraw/zinc/74/35/29/884743529.db2.gz YPBYGZCYENTATO-UHFFFAOYSA-N 0 0 389.499 3.650 20 10 GHCDRN C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000806498070 884743546 /nfs/dbraw/zinc/74/35/46/884743546.db2.gz WKDUBHPLLMCORC-MRXNPFEDSA-N 0 0 396.318 3.671 20 10 GHCDRN COCCn1c(C)cc(/C=C2\NC(=S)N(c3ccc(C)cc3C)C2=O)c1C ZINC000153368575 884811588 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Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)cc1 ZINC000860847783 885047298 /nfs/dbraw/zinc/04/72/98/885047298.db2.gz DEYNFYKZVDZNRH-IRLDBZIGSA-N 0 0 380.488 3.523 20 10 GHCDRN Cc1nc2ccc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc2s1 ZINC000761977868 885068013 /nfs/dbraw/zinc/06/80/13/885068013.db2.gz XYCIDRUFTBMUCM-UHFFFAOYSA-N 0 0 399.491 3.635 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](C)[C@H](C)c2ccccc2)cc1 ZINC000806869165 885071306 /nfs/dbraw/zinc/07/13/06/885071306.db2.gz LYZSNDIFKBCDHK-OALUTQOASA-N 0 0 395.547 3.800 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)CSCC(=O)c2ccc(Cl)cc2)c1 ZINC000761972197 885079475 /nfs/dbraw/zinc/07/94/75/885079475.db2.gz HAUXYGQJHGREPR-GFCCVEGCSA-N 0 0 393.892 3.848 20 10 GHCDRN Cc1cc(C(=O)NCCCN2CCOCC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000914874480 885093779 /nfs/dbraw/zinc/09/37/79/885093779.db2.gz QMZXWTOTACNJNG-UHFFFAOYSA-N 0 0 383.536 3.670 20 10 GHCDRN C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C[C@H]1C ZINC000806927534 885094955 /nfs/dbraw/zinc/09/49/55/885094955.db2.gz LDKGENPNYFQERM-GGPKGHCWSA-N 0 0 385.552 3.576 20 10 GHCDRN C[C@@H](NC(=O)[C@@H]1CCCn2cc(C(F)(F)F)nc21)c1ccc(N(C)C)cc1 ZINC000860950324 885115618 /nfs/dbraw/zinc/11/56/18/885115618.db2.gz LWPRXMQWAOVGBY-IUODEOHRSA-N 0 0 380.414 3.723 20 10 GHCDRN C[C@@H](NC(=O)NCCCSc1nccs1)c1nccn1-c1ccccc1 ZINC000806960477 885117485 /nfs/dbraw/zinc/11/74/85/885117485.db2.gz CTJQPAZOJYVHQR-CQSZACIVSA-N 0 0 387.534 3.871 20 10 GHCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000774696310 912900984 /nfs/dbraw/zinc/90/09/84/912900984.db2.gz SEBNPNJWLQIKTB-CVEARBPZSA-N 0 0 398.463 3.553 20 10 GHCDRN Cc1cc(C(=O)O[C@H](C(=O)NCc2ccco2)C(C)C)c(C)n1-c1ccccn1 ZINC000914903900 885136761 /nfs/dbraw/zinc/13/67/61/885136761.db2.gz TZNQHIQQBFYWBC-FQEVSTJZSA-N 0 0 395.459 3.580 20 10 GHCDRN O=C(C[C@@H]1CCOc2ccccc21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000117974591 885231441 /nfs/dbraw/zinc/23/14/41/885231441.db2.gz DTKRWAAUKQHNDV-HKUYNNGSSA-N 0 0 381.472 3.856 20 10 GHCDRN C[C@H](Oc1ccc(F)c(F)c1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000117975376 885233219 /nfs/dbraw/zinc/23/32/19/885233219.db2.gz AYLCGOQRDXRTAU-YOEHRIQHSA-N 0 0 391.414 3.646 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@@H]1CC(=O)c1cnn(C)c1 ZINC000154943943 885259589 /nfs/dbraw/zinc/25/95/89/885259589.db2.gz KOIDFZVFNGPFDO-QGZVFWFLSA-N 0 0 396.516 3.767 20 10 GHCDRN CCCNC(=O)OC[C@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807141054 885260126 /nfs/dbraw/zinc/26/01/26/885260126.db2.gz POTWBGJLQZWHMU-QFBILLFUSA-N 0 0 390.528 3.514 20 10 GHCDRN CC[C@@H]1CCC[C@H](NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000807166777 885272493 /nfs/dbraw/zinc/27/24/93/885272493.db2.gz KTOGQPDFSQACJL-QUCCMNQESA-N 0 0 385.552 3.720 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@@H](O)C(C)(C)C3)cc2Cl)C1 ZINC000807209355 885297160 /nfs/dbraw/zinc/29/71/60/885297160.db2.gz ILYLYSRCXSVDJM-DNVCBOLYSA-N 0 0 393.959 3.879 20 10 GHCDRN CSCCCCCCNC(=O)NCc1cc(Br)ccc1O ZINC000805277784 885304750 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/nfs/dbraw/zinc/58/83/64/893588364.db2.gz XWDFGGFZJNMHIC-LLVKDONJSA-N 0 0 392.301 3.929 20 10 GHCDRN CN(Cc1nc(-c2ccccc2)c[nH]1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877534047 893670586 /nfs/dbraw/zinc/67/05/86/893670586.db2.gz WBFMWCMIFLHEOQ-UHFFFAOYSA-N 0 0 376.504 3.670 20 10 GHCDRN CS[C@H]1CCCCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000126761508 893875846 /nfs/dbraw/zinc/87/58/46/893875846.db2.gz HFUFTAUZDSJJHQ-LPHOPBHVSA-N 0 0 377.554 3.511 20 10 GHCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cn(C(C)C)nn2)cc1 ZINC000815548079 894012435 /nfs/dbraw/zinc/01/24/35/894012435.db2.gz LYYQLWKXTULORB-UHFFFAOYSA-N 0 0 393.491 3.781 20 10 GHCDRN C[C@@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815582757 894021327 /nfs/dbraw/zinc/02/13/27/894021327.db2.gz OUJTXZXQEDGMFH-QRWLVFNGSA-N 0 0 394.437 3.699 20 10 GHCDRN C[C@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1cccc(C(F)(F)F)c1[O-] ZINC000815582787 894021906 /nfs/dbraw/zinc/02/19/06/894021906.db2.gz PGNVGDCBFVGNPD-VIFPVBQESA-N 0 0 394.319 3.983 20 10 GHCDRN C[C@@H]([NH2+]CCn1cc(Br)cn1)c1cccc(C(F)(F)F)c1[O-] ZINC000815625874 894057861 /nfs/dbraw/zinc/05/78/61/894057861.db2.gz OQPKVHNMJCBICM-SECBINFHSA-N 0 0 378.192 3.721 20 10 GHCDRN C[C@H]1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)[C@@H](C(N)=O)C1 ZINC000778290012 894090827 /nfs/dbraw/zinc/09/08/27/894090827.db2.gz NPYLEDXDIMIGMA-HNAYVOBHSA-N 0 0 379.464 3.626 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1c[nH]cc1C1CC1 ZINC000878288596 894165483 /nfs/dbraw/zinc/16/54/83/894165483.db2.gz ZBCVYFNYQJVNBV-UHFFFAOYSA-N 0 0 393.409 3.678 20 10 GHCDRN COc1ccc(Cl)cc1NC(=O)CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816555795 894941579 /nfs/dbraw/zinc/94/15/79/894941579.db2.gz PVJVZACGICWFSO-UHFFFAOYSA-N 0 0 387.238 3.965 20 10 GHCDRN O=C1[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCN1CCCc1ccccc1 ZINC000816556093 894941593 /nfs/dbraw/zinc/94/15/93/894941593.db2.gz ZPGIGGVTRHDYRJ-GOSISDBHSA-N 0 0 376.859 3.508 20 10 GHCDRN O=C(NCCCSc1nccs1)c1cc(N2CCCC2=O)ccc1Cl ZINC000127622727 894942224 /nfs/dbraw/zinc/94/22/24/894942224.db2.gz AQDUINSOSOHDNY-UHFFFAOYSA-N 0 0 395.937 3.836 20 10 GHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000816562362 894944649 /nfs/dbraw/zinc/94/46/49/894944649.db2.gz INVYOHODZHOHEK-UHFFFAOYSA-N 0 0 388.620 3.966 20 10 GHCDRN Cc1ccc(NCc2cc(Cl)c(F)cc2O)c(C)c1S(=O)(=O)NC1CC1 ZINC000816607385 894966481 /nfs/dbraw/zinc/96/64/81/894966481.db2.gz QJAUTKHTEIESLJ-UHFFFAOYSA-N 0 0 398.887 3.854 20 10 GHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000816616755 894977539 /nfs/dbraw/zinc/97/75/39/894977539.db2.gz FTYUQCVQQCYOPA-AWEZNQCLSA-N 0 0 392.627 3.910 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000816795013 895081295 /nfs/dbraw/zinc/08/12/95/895081295.db2.gz OIFVDXNTPBFHSA-WEVIUKKBSA-N 0 0 375.424 3.702 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)/C=C\COc3ccccc3)cc2F)C[C@H](C)O1 ZINC000816890854 895166559 /nfs/dbraw/zinc/16/65/59/895166559.db2.gz AGAOOJFFOIDYAW-VTUQDJEPSA-N 0 0 398.478 3.691 20 10 GHCDRN O=C(c1nc(Cl)sc1Cl)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000816922233 895182985 /nfs/dbraw/zinc/18/29/85/895182985.db2.gz VOZKHJIYFAAUSP-NSHDSACASA-N 0 0 387.288 3.977 20 10 GHCDRN Cc1cc(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)ccc1Cl ZINC001185532590 913944536 /nfs/dbraw/zinc/94/45/36/913944536.db2.gz AGJXWBHACLOYNX-UHFFFAOYSA-N 0 0 396.965 3.680 20 10 GHCDRN Cc1cc(C(=O)N2[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000817025017 895271505 /nfs/dbraw/zinc/27/15/05/895271505.db2.gz FCYRFBUXTXFQTG-IRXDYDNUSA-N 0 0 396.535 3.597 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Nc3cccc4c3cc[nH]c4=O)CC2)cc1 ZINC000879799842 895295273 /nfs/dbraw/zinc/29/52/73/895295273.db2.gz LULNNSVDNKFOKD-UHFFFAOYSA-N 0 0 392.459 3.693 20 10 GHCDRN CS(C)(=O)=Nc1ccccc1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000879811377 895308254 /nfs/dbraw/zinc/30/82/54/895308254.db2.gz JRWAYGGMEWVUBV-UHFFFAOYSA-N 0 0 384.505 3.744 20 10 GHCDRN Cc1nc2c(cccc2NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000879822570 895320822 /nfs/dbraw/zinc/32/08/22/895320822.db2.gz SXAKPYBDTAYOJE-UHFFFAOYSA-N 0 0 380.448 3.637 20 10 GHCDRN CC[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 ZINC000817174428 895369045 /nfs/dbraw/zinc/36/90/45/895369045.db2.gz GMYHCIUXSWLSNO-ZMSDIMECSA-N 0 0 397.466 3.514 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)C(=O)CCCC2 ZINC000817385254 895557653 /nfs/dbraw/zinc/55/76/53/895557653.db2.gz HYEAIGBMGDSIOS-UHFFFAOYSA-N 0 0 394.471 3.679 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000880225232 895579566 /nfs/dbraw/zinc/57/95/66/895579566.db2.gz RTAFNQFBRHXYNO-UHFFFAOYSA-N 0 0 382.314 3.562 20 10 GHCDRN COc1c([O-])c(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)ccc1[N+](=O)[O-] ZINC000817409118 895587709 /nfs/dbraw/zinc/58/77/09/895587709.db2.gz ZTRDUDVBMCURTI-CQSZACIVSA-N 0 0 378.812 3.966 20 10 GHCDRN COc1c([O-])c(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)ccc1[N+](=O)[O-] ZINC000817408685 895588057 /nfs/dbraw/zinc/58/80/57/895588057.db2.gz LJVYZGCQZMZIJO-AWEZNQCLSA-N 0 0 378.812 3.966 20 10 GHCDRN Cc1cc(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)c(C)n1-c1ccccn1 ZINC000128299301 895589392 /nfs/dbraw/zinc/58/93/92/895589392.db2.gz IBHVMFXWXXIYPQ-IBGZPJMESA-N 0 0 377.444 3.909 20 10 GHCDRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC001135914257 895591069 /nfs/dbraw/zinc/59/10/69/895591069.db2.gz AGVZCFRPUOPJQV-VQIMIIECSA-N 0 0 389.540 3.747 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccn(C2CCSCC2)n1 ZINC000880349673 895650910 /nfs/dbraw/zinc/65/09/10/895650910.db2.gz FCWCHGDEUVAVPR-UHFFFAOYSA-N 0 0 386.521 3.857 20 10 GHCDRN CCCCCN(C(=O)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C(C)C ZINC000817859792 895934927 /nfs/dbraw/zinc/93/49/27/895934927.db2.gz OZDKGICDWCKVRS-GOSISDBHSA-N 0 0 375.557 3.535 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N(C)[C@@H](C)C1CCCCC1 ZINC000817862035 895935684 /nfs/dbraw/zinc/93/56/84/895935684.db2.gz QHCWWUNFLOPVJF-ROUUACIJSA-N 0 0 387.568 3.535 20 10 GHCDRN COCCN(Cc1cccs1)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817906495 895957692 /nfs/dbraw/zinc/95/76/92/895957692.db2.gz CAFXXOOLDOGXTQ-UHFFFAOYSA-N 0 0 387.530 3.666 20 10 GHCDRN C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cc(Br)cc(F)c1[O-] ZINC000817942994 895972065 /nfs/dbraw/zinc/97/20/65/895972065.db2.gz SLZMQFWECWECBB-DIFFPNOSSA-N 0 0 396.304 3.710 20 10 GHCDRN CN1CCC[C@H](CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)C1=O ZINC000817997720 895982696 /nfs/dbraw/zinc/98/26/96/895982696.db2.gz VIDSOKLFBKPAPJ-MSOLQXFVSA-N 0 0 385.533 3.690 20 10 GHCDRN Cc1nc([C@@H]2CCCCCN2C(=O)c2csc(Cc3ccc(N)cc3)n2)no1 ZINC000818000325 895985315 /nfs/dbraw/zinc/98/53/15/895985315.db2.gz OFDUELGQVSODIX-KRWDZBQOSA-N 0 0 397.504 3.765 20 10 GHCDRN CCOC(=O)c1ccc(NC(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000818090715 896023638 /nfs/dbraw/zinc/02/36/38/896023638.db2.gz HKMSDWYPIUHDKJ-MRXNPFEDSA-N 0 0 397.475 3.520 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)Nc3cccc4cccnc43)C2)cc1 ZINC000818090996 896023844 /nfs/dbraw/zinc/02/38/44/896023844.db2.gz JKFATLOJVSPBKL-MRXNPFEDSA-N 0 0 376.460 3.891 20 10 GHCDRN CCc1cccc(CC)c1NC(=O)[C@H](C)n1cc(COc2ccc(N)cc2)nn1 ZINC000881154021 896203297 /nfs/dbraw/zinc/20/32/97/896203297.db2.gz JIYHZTNEXPWUMZ-HNNXBMFYSA-N 0 0 393.491 3.764 20 10 GHCDRN Cc1cc(C)c(NC(=O)[C@@H](C)n2cc(COc3ccc(N)cc3)nn2)c(Cl)c1 ZINC000881155472 896204953 /nfs/dbraw/zinc/20/49/53/896204953.db2.gz YHDYWKCGIWEPMQ-CQSZACIVSA-N 0 0 399.882 3.909 20 10 GHCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cc(-c2cccnc2)on1 ZINC000128907045 896270058 /nfs/dbraw/zinc/27/00/58/896270058.db2.gz OYNPTQCZFIPIMH-UHFFFAOYSA-N 0 0 395.374 3.764 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=S)Nc3ccc(Cl)nc3)C2)cc1 ZINC000819021402 896353941 /nfs/dbraw/zinc/35/39/41/896353941.db2.gz RXELIZCJHCALQU-ZDUSSCGKSA-N 0 0 376.913 3.557 20 10 GHCDRN O=C1CN(Cc2ccccc2O)C(=O)N1CCCCOc1ccc(Cl)cc1 ZINC000819166076 896439922 /nfs/dbraw/zinc/43/99/22/896439922.db2.gz LVZMSHPKSIOXBU-UHFFFAOYSA-N 0 0 388.851 3.669 20 10 GHCDRN O=C1CN(Cc2ccccc2O)C(=O)N1Cc1ccc(OC2CCCC2)cc1 ZINC000819168557 896442816 /nfs/dbraw/zinc/44/28/16/896442816.db2.gz UHHGGYYZSCWIFI-UHFFFAOYSA-N 0 0 380.444 3.678 20 10 GHCDRN Cc1cc(C(=O)NCc2ncn(-c3ccccc3)n2)c(C)n1-c1ccccc1C ZINC000819181436 896450917 /nfs/dbraw/zinc/45/09/17/896450917.db2.gz WVJGYXULHPTNFE-UHFFFAOYSA-N 0 0 385.471 3.913 20 10 GHCDRN Cc1cccc2c(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)coc21 ZINC000819332791 896577426 /nfs/dbraw/zinc/57/74/26/896577426.db2.gz GMGRFWFFKDTMRL-UHFFFAOYSA-N 0 0 382.435 3.771 20 10 GHCDRN CC(C)(C)OC(=O)CS(=O)(=O)CCNc1ccc(Nc2ccccc2)cc1 ZINC000819395038 896617870 /nfs/dbraw/zinc/61/78/70/896617870.db2.gz FDKGGUXIVYDUHI-UHFFFAOYSA-N 0 0 390.505 3.599 20 10 GHCDRN Cc1cc(C(=O)N(C)c2nccn2C)c(C)n1-c1ccccc1Br ZINC000819519213 896807118 /nfs/dbraw/zinc/80/71/18/896807118.db2.gz PVZUZPMNNITMBO-UHFFFAOYSA-N 0 0 387.281 3.867 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)Cn3c(C)cc4ccccc43)C2)cc1 ZINC000819579529 896819735 /nfs/dbraw/zinc/81/97/35/896819735.db2.gz BOHJKTJHXFSXPA-SFHVURJKSA-N 0 0 377.488 3.601 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cc4ccccc4c(OC)n3)C2)cc1 ZINC000819582523 896826319 /nfs/dbraw/zinc/82/63/19/896826319.db2.gz MYERVOHIVREFOS-MRXNPFEDSA-N 0 0 391.471 3.508 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)C[C@H](C)c3ccccc3OC)C2)cc1 ZINC000819581599 896826486 /nfs/dbraw/zinc/82/64/86/896826486.db2.gz AQELQSJOOBNRTC-ZWKOTPCHSA-N 0 0 382.504 3.840 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)CCCOc3cccc(F)c3)C2)cc1 ZINC000819582577 896827938 /nfs/dbraw/zinc/82/79/38/896827938.db2.gz JJTXYHIDUKBVTC-KRWDZBQOSA-N 0 0 386.467 3.636 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)Cc3c(C)[nH]c4ccccc43)C2)cc1 ZINC000819583171 896828967 /nfs/dbraw/zinc/82/89/67/896828967.db2.gz QFGJHGVMIDCSGX-QGZVFWFLSA-N 0 0 377.488 3.670 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3sc(CC(C)C)nc3C)C2)cc1 ZINC000819583198 896828985 /nfs/dbraw/zinc/82/89/85/896828985.db2.gz TXEFRRZYEVQGKF-MRXNPFEDSA-N 0 0 387.549 3.915 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)Cc3csc(C(C)(C)C)n3)C2)cc1 ZINC000819582679 896830154 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ZINC000845116654 901797916 /nfs/dbraw/zinc/79/79/16/901797916.db2.gz XYHPRLSWGXSUBI-UGKGYDQZSA-N 0 0 397.519 3.693 20 10 GHCDRN CCOc1ccc2c(c1)[C@H](NC(=O)NCc1cc(Cl)ccc1O)CCO2 ZINC000845121914 901807916 /nfs/dbraw/zinc/80/79/16/901807916.db2.gz FDFWJGINGOJDMW-MRXNPFEDSA-N 0 0 376.840 3.767 20 10 GHCDRN C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])[C@H](OC1CCOCC1)c1ccccc1 ZINC000122805209 901852682 /nfs/dbraw/zinc/85/26/82/901852682.db2.gz DJXUIUQPEHRFEO-BTYIYWSLSA-N 0 0 386.448 3.715 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cccc2cccnc21 ZINC000047377028 901947268 /nfs/dbraw/zinc/94/72/68/901947268.db2.gz UQZSFZCDHWZQBN-UHFFFAOYSA-N 0 0 394.450 3.657 20 10 GHCDRN Cc1nn(CC2CC2)c(C)c1CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000845315458 902031360 /nfs/dbraw/zinc/03/13/60/902031360.db2.gz MTOKURSFBYXSAD-UHFFFAOYSA-N 0 0 380.536 3.759 20 10 GHCDRN Cc1ccc(NCc2cc(Br)ccc2O)c(CN2CCOCC2)c1 ZINC001171175918 902092579 /nfs/dbraw/zinc/09/25/79/902092579.db2.gz GWQXWKSWQNVPHS-UHFFFAOYSA-N 0 0 391.309 3.907 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CC(C)OCc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000264027443 902785533 /nfs/dbraw/zinc/78/55/33/902785533.db2.gz YSOHRLPDVBZACF-UHFFFAOYSA-N 0 0 382.504 3.720 20 10 GHCDRN C[C@@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1cc(Br)c(F)cc1[O-] ZINC000846216582 902793033 /nfs/dbraw/zinc/79/30/33/902793033.db2.gz SJBCVVVWRVNFOM-MEBBXXQBSA-N 0 0 395.272 3.721 20 10 GHCDRN O=C([O-])c1cnn2c1[nH]c(C[N@@H+]1CCCC[C@@H]1CCCc1ccccc1)cc2=O ZINC000846255138 902828642 /nfs/dbraw/zinc/82/86/42/902828642.db2.gz HSFIUTGYLVSAGW-GOSISDBHSA-N 0 0 394.475 3.511 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)c3ccc(OC(F)F)cn3)cc2)CC1 ZINC001144774749 902870269 /nfs/dbraw/zinc/87/02/69/902870269.db2.gz WODXDAXFXJDMKR-UHFFFAOYSA-N 0 0 375.419 3.849 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)[C@@H](CO)c3ccc(Cl)cc3)cc2)CC1 ZINC001144774942 902870460 /nfs/dbraw/zinc/87/04/60/902870460.db2.gz ZECBOSNDKYYCRC-NRFANRHFSA-N 0 0 386.923 3.969 20 10 GHCDRN C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000048140786 902943196 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C[C@H](NC(=O)N1CCN(c2cccc(F)c2F)CC1)c1ccc(N(C)C)cc1 ZINC000773619067 908443773 /nfs/dbraw/zinc/44/37/73/908443773.db2.gz QQJAWRXAEDWQFE-HNNXBMFYSA-N 0 0 388.462 3.624 20 10 GHCDRN C[C@@H](NC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1)c1ccc(N(C)C)cc1 ZINC000773627142 908473570 /nfs/dbraw/zinc/47/35/70/908473570.db2.gz WGKNMLASKFPZDC-IAGOWNOFSA-N 0 0 392.507 3.797 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC001177430124 908587578 /nfs/dbraw/zinc/58/75/78/908587578.db2.gz JGRLOQGRWVMVQA-ROUUACIJSA-N 0 0 394.393 3.746 20 10 GHCDRN C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccc(F)c(F)c1[O-] ZINC000191217443 908595507 /nfs/dbraw/zinc/59/55/07/908595507.db2.gz ZPNCXJPEXCQTRM-CQSZACIVSA-N 0 0 376.447 3.730 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N3Cc4c[nH]nc4C[C@H](C)C3)c2C)cc1 ZINC001177669522 908688490 /nfs/dbraw/zinc/68/84/90/908688490.db2.gz FFKIDPUNBYCGSH-AWEZNQCLSA-N 0 0 378.476 3.660 20 10 GHCDRN O=C(Cc1cc(Cl)ccn1)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001177657656 908703280 /nfs/dbraw/zinc/70/32/80/908703280.db2.gz IQHWOVBPOHJFNG-UHFFFAOYSA-N 0 0 399.800 3.525 20 10 GHCDRN O=C(Nc1ccc2c(c1)CCC2)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000193904072 908789798 /nfs/dbraw/zinc/78/97/98/908789798.db2.gz DTJGXYSFYWKCLO-UHFFFAOYSA-N 0 0 390.439 3.641 20 10 GHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC001177911226 908798509 /nfs/dbraw/zinc/79/85/09/908798509.db2.gz HLKBQPUKUHNVGB-LPHOPBHVSA-N 0 0 395.330 3.672 20 10 GHCDRN COc1ccc(OC(F)F)c(NC(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000194732529 908919190 /nfs/dbraw/zinc/91/91/90/908919190.db2.gz QPEBUKXNMGFJKU-UHFFFAOYSA-N 0 0 383.370 3.823 20 10 GHCDRN CC(C)C(CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C(C)C ZINC000194909794 908938870 /nfs/dbraw/zinc/93/88/70/908938870.db2.gz LGOBDGQHYLFQHG-UHFFFAOYSA-N 0 0 375.557 3.623 20 10 GHCDRN O=C(c1cc(F)c(F)c(F)c1F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000194940671 908942106 /nfs/dbraw/zinc/94/21/06/908942106.db2.gz WUFJMSYOKCZHBX-GFCCVEGCSA-N 0 0 383.341 3.770 20 10 GHCDRN C[C@H](S[C@@H]1CCCOC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000779834465 909021078 /nfs/dbraw/zinc/02/10/78/909021078.db2.gz TXDXTYUZCVUKKI-UONOGXRCSA-N 0 0 395.480 3.701 20 10 GHCDRN Cc1nn(-c2ccccc2)c2nc(C(=O)NCc3c(O)cccc3F)ccc12 ZINC001178412589 909048640 /nfs/dbraw/zinc/04/86/40/909048640.db2.gz ATGBDOAPRYFUAX-UHFFFAOYSA-N 0 0 376.391 3.504 20 10 GHCDRN CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000773749464 909094504 /nfs/dbraw/zinc/09/45/04/909094504.db2.gz PXFJQKZFXUPREU-YJYMSZOUSA-N 0 0 377.868 3.902 20 10 GHCDRN Cc1nc(COc2ccccc2C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cs1 ZINC000773751717 909122267 /nfs/dbraw/zinc/12/22/67/909122267.db2.gz UWQNVXBUUDUBMP-ZDUSSCGKSA-N 0 0 398.484 3.803 20 10 GHCDRN C[C@@H](Oc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cn1)c1ccccc1 ZINC000773761422 909166530 /nfs/dbraw/zinc/16/65/30/909166530.db2.gz RDDPTYJIIBKUQP-JKSUJKDBSA-N 0 0 392.455 3.994 20 10 GHCDRN Cc1[nH]c(=O)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1-c1ccccc1 ZINC000773767416 909185482 /nfs/dbraw/zinc/18/54/82/909185482.db2.gz LIJLGHBXHJYIDF-CYBMUJFWSA-N 0 0 378.428 3.535 20 10 GHCDRN Cc1ccc(/C=C/C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(Br)c1 ZINC000773763691 909193056 /nfs/dbraw/zinc/19/30/56/909193056.db2.gz YLQSORJKILZBQA-STMXVASLSA-N 0 0 390.277 3.929 20 10 GHCDRN CCN(C)c1ccc(CN2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000773765405 909193090 /nfs/dbraw/zinc/19/30/90/909193090.db2.gz JDHOZDOHFOOIGQ-UHFFFAOYSA-N 0 0 391.519 3.511 20 10 GHCDRN Cc1c(NC(=O)NCc2c(O)ccc3c2CCCC3)cccc1N1CCOC1=O ZINC000266509707 909202375 /nfs/dbraw/zinc/20/23/75/909202375.db2.gz YDZQYMVZQMIIEN-UHFFFAOYSA-N 0 0 395.459 3.858 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@H]2CC[C@H](C(C)=O)CC2)CCCC1 ZINC001178809623 909238602 /nfs/dbraw/zinc/23/86/02/909238602.db2.gz MIHYGDFGIUQWHN-QAQDUYKDSA-N 0 0 382.504 3.793 20 10 GHCDRN CCCOc1nc2ccccc2cc1/C=C\C(=O)NCc1c(O)cccc1O ZINC001178911561 909310862 /nfs/dbraw/zinc/31/08/62/909310862.db2.gz NFHQHQYNAIPGPX-KHPPLWFESA-N 0 0 378.428 3.764 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC2(CC[C@@H](C(=O)NCc3ccccc3O)C2)CC1 ZINC001179240784 909435978 /nfs/dbraw/zinc/43/59/78/909435978.db2.gz CJPFDMQZDKNIRA-MRXNPFEDSA-N 0 0 388.508 3.826 20 10 GHCDRN CC[C@H](NC(=O)N(CC)Cc1ccc(N(C)C)cc1)c1nnc2n1CCCCC2 ZINC000267303054 909445576 /nfs/dbraw/zinc/44/55/76/909445576.db2.gz APFKTKXFUWDZID-IBGZPJMESA-N 0 0 398.555 3.753 20 10 GHCDRN C[C@@H]1C[C@@H](CCNC(=O)NCc2cccc(Br)c2O)C[C@H](C)O1 ZINC000801787242 921498579 /nfs/dbraw/zinc/49/85/79/921498579.db2.gz GNDAZORYGOCFIJ-CLLJXQQHSA-N 0 0 385.302 3.548 20 10 GHCDRN CC(C)(C)OC(=O)CN1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001179376378 909513303 /nfs/dbraw/zinc/51/33/03/909513303.db2.gz SSBGYIFTOMOKOF-UHFFFAOYSA-N 0 0 389.323 3.595 20 10 GHCDRN Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000267550073 909547242 /nfs/dbraw/zinc/54/72/42/909547242.db2.gz GHLWMGNEAQWVKN-AWEZNQCLSA-N 0 0 388.475 3.564 20 10 GHCDRN COc1ccc(CNC(=O)NCc2nc(-c3ccccc3F)cs2)c(O)c1 ZINC000366332889 921508376 /nfs/dbraw/zinc/50/83/76/921508376.db2.gz FVPCQDVQSHGPMP-UHFFFAOYSA-N 0 0 387.436 3.663 20 10 GHCDRN Cc1cc(N(C)C)ccc1CN1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC001180029565 909898872 /nfs/dbraw/zinc/89/88/72/909898872.db2.gz BRBDXVRBCJWMPZ-UHFFFAOYSA-N 0 0 389.902 3.812 20 10 GHCDRN Cc1onc(-c2cccnc2)c1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000795330307 909908067 /nfs/dbraw/zinc/90/80/67/909908067.db2.gz YWZGNICWQDBLRE-UHFFFAOYSA-N 0 0 394.500 3.528 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)cc2)CC1 ZINC000245877787 909978250 /nfs/dbraw/zinc/97/82/50/909978250.db2.gz KAKVRGCAPPIFJT-PWRODBHTSA-N 0 0 383.536 3.680 20 10 GHCDRN COc1ccc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c(O)c1 ZINC000795358686 910055119 /nfs/dbraw/zinc/05/51/19/910055119.db2.gz SCOZMKBTBVOSNC-UHFFFAOYSA-N 0 0 395.786 3.552 20 10 GHCDRN Cc1nc(C(F)(F)F)ccc1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000801845963 921545002 /nfs/dbraw/zinc/54/50/02/921545002.db2.gz CICQOJUYSUZQOD-UHFFFAOYSA-N 0 0 394.397 3.567 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(N)cc3Cl)cc2F)C[C@H](C)O1 ZINC000269251345 910195417 /nfs/dbraw/zinc/19/54/17/910195417.db2.gz PRGWFQKRSGYXPA-BETUJISGSA-N 0 0 391.874 3.605 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)Nc2ccn(CC(F)(F)F)n2)C2CC2)cc1 ZINC000269465368 910278814 /nfs/dbraw/zinc/27/88/14/910278814.db2.gz SASVXJRGNMEYAC-UHFFFAOYSA-N 0 0 381.402 3.708 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCOC3(CCSCC3)C2)cc1 ZINC000269493734 910287546 /nfs/dbraw/zinc/28/75/46/910287546.db2.gz LZZOWHZNYIUDSQ-SFHVURJKSA-N 0 0 391.581 3.777 20 10 GHCDRN CN1CCCc2cc(CNC(=O)N3CCC[C@@H]3C[C@@H](O)c3cccs3)ccc21 ZINC000246624762 910410409 /nfs/dbraw/zinc/41/04/09/910410409.db2.gz YFNHKJLQLDXIME-UYAOXDASSA-N 0 0 399.560 3.928 20 10 GHCDRN CO[C@H](C)C(=O)Nc1cc(N)ccc1/N=N/c1ccc(Br)cn1 ZINC001181457452 910774470 /nfs/dbraw/zinc/77/44/70/910774470.db2.gz LLRPETYSAGLZPW-AQBNCOFJSA-N 0 0 378.230 3.815 20 10 GHCDRN FC(F)Oc1ccc(N2CCC(N[C@@H](c3ncc[nH]3)c3cccnc3)CC2)cc1 ZINC000366448182 921620702 /nfs/dbraw/zinc/62/07/02/921620702.db2.gz MLRJZGATMPFWJK-LJQANCHMSA-N 0 0 399.445 3.754 20 10 GHCDRN Oc1ccc(F)cc1CNc1cc(N2CCOCC2)ccc1Br ZINC001181796259 910989778 /nfs/dbraw/zinc/98/97/78/910989778.db2.gz KKQMRYUVLVKBQM-UHFFFAOYSA-N 0 0 381.245 3.743 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2c(C)nc(C3CC3)[nH]c2=S)cc1F ZINC000773955363 911058269 /nfs/dbraw/zinc/05/82/69/911058269.db2.gz KFHAGLDXVUTSFQ-UHFFFAOYSA-N 0 0 388.512 3.866 20 10 GHCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)CC1(CC(N)=O)CCCCC1 ZINC001182183480 911227323 /nfs/dbraw/zinc/22/73/23/911227323.db2.gz ZUYMCHLDVFWLIN-IEOAKVAPSA-N 0 0 394.479 3.821 20 10 GHCDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cncc(-n2ccnn2)c1 ZINC000801937029 921648261 /nfs/dbraw/zinc/64/82/61/921648261.db2.gz BVBVEWBRVYAKNG-KRWDZBQOSA-N 0 0 399.454 3.772 20 10 GHCDRN COC(=O)c1coc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c1 ZINC000774112933 911401701 /nfs/dbraw/zinc/40/17/01/911401701.db2.gz CEUMWNOMKXJLIX-DHDCSXOGSA-N 0 0 388.470 3.538 20 10 GHCDRN COc1cccc(C(=O)NCC[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])c1 ZINC000774141281 911409009 /nfs/dbraw/zinc/40/90/09/911409009.db2.gz JBBHTZZZXRRVGJ-LLVKDONJSA-N 0 0 383.275 3.788 20 10 GHCDRN O=C(CNC(=O)c1cccc(Cl)c1)N(Cc1ccco1)Cc1ccccc1O ZINC000247903755 911491399 /nfs/dbraw/zinc/49/13/99/911491399.db2.gz LKYVMLFMDKTKNN-UHFFFAOYSA-N 0 0 398.846 3.597 20 10 GHCDRN CC(=O)Nc1cccc(NC(=O)CSc2nc3cc(F)c(F)cc3[nH]2)c1 ZINC000247959426 911534745 /nfs/dbraw/zinc/53/47/45/911534745.db2.gz UZXCIRLSOZKCEA-UHFFFAOYSA-N 0 0 376.388 3.530 20 10 GHCDRN CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000092754889 911773025 /nfs/dbraw/zinc/77/30/25/911773025.db2.gz IGSULYKFDDHFSS-CYBMUJFWSA-N 0 0 383.330 3.527 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000801961093 921691145 /nfs/dbraw/zinc/69/11/45/921691145.db2.gz GYRVLTMCSNUOHH-UHFFFAOYSA-N 0 0 384.476 3.718 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)Nc3ccc4oc(=O)[nH]c4c3)c2C)cc1 ZINC000248156711 911789154 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C[C@H]([NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1)c1cc(F)cc(F)c1[O-] ZINC000756474816 1023674525 /nfs/dbraw/zinc/67/45/25/1023674525.db2.gz JAAHMXIHZAAKND-ORAYPTAESA-N 0 0 380.410 3.534 20 10 GHCDRN C[C@@H]([NH2+]CCOc1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756480762 1023678302 /nfs/dbraw/zinc/67/83/02/1023678302.db2.gz ZLRVUMSEQTVBLQ-LLVKDONJSA-N 0 0 381.226 3.793 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cc(OC)ccc2Br)c1 ZINC000756489081 1023682318 /nfs/dbraw/zinc/68/23/18/1023682318.db2.gz FQQAJDVLCVOUAR-NSHDSACASA-N 0 0 394.265 3.801 20 10 GHCDRN CC(C)C[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000756495806 1023684926 /nfs/dbraw/zinc/68/49/26/1023684926.db2.gz BHBCBVMXGOTNIY-GXSJLCMTSA-N 0 0 395.135 3.975 20 10 GHCDRN Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756524488 1023696974 /nfs/dbraw/zinc/69/69/74/1023696974.db2.gz GATWSEQNLRHJIA-LBPRGKRZSA-N 0 0 377.828 3.942 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(Cl)c(Cl)c1[O-] 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CCN(Cc1ccc(N(C)C)cc1)Cc1ncc(Br)cc1OC ZINC001139089594 1025904640 /nfs/dbraw/zinc/90/46/40/1025904640.db2.gz HHXOFFJLVWYSGG-UHFFFAOYSA-N 0 0 378.314 3.941 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+]Cc2cccc(N3CCCC3=O)c2)c1 ZINC001461043759 1069356784 /nfs/dbraw/zinc/35/67/84/1069356784.db2.gz VXNUGWAGAZHREP-UHFFFAOYSA-N 0 0 389.293 3.880 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000839471181 1025962095 /nfs/dbraw/zinc/96/20/95/1025962095.db2.gz COJMIDHWQRGECD-OAQYLSRUSA-N 0 0 394.515 3.827 20 10 GHCDRN CCNC(=O)COc1cccc(NCc2cc(C)cc(Br)c2O)c1 ZINC001461061580 1069369332 /nfs/dbraw/zinc/36/93/32/1069369332.db2.gz WYYVFTWGYJEQPI-UHFFFAOYSA-N 0 0 393.281 3.590 20 10 GHCDRN CCCOc1ccccc1NC(=O)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839633014 1026137735 /nfs/dbraw/zinc/13/77/35/1026137735.db2.gz DRDGZIBJSUDMIF-QGZVFWFLSA-N 0 0 397.519 3.536 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@@H](c3nnc(C)[nH]3)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000839885612 1026329765 /nfs/dbraw/zinc/32/97/65/1026329765.db2.gz RZLVGFLEGKZJRY-OAHLLOKOSA-N 0 0 383.883 3.804 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](C)C2N=NC(=O)N2C)c(C)n1-c1cccc(C(C)C)c1 ZINC001163835432 1026334264 /nfs/dbraw/zinc/33/42/64/1026334264.db2.gz FAANGOLYIIUSKF-AWEZNQCLSA-N 0 0 381.480 3.543 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cccc(-c2cnn(C)c2)c1 ZINC000839918402 1026346010 /nfs/dbraw/zinc/34/60/10/1026346010.db2.gz LQNHTIKVVOIKNP-KRWDZBQOSA-N 0 0 376.504 3.823 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC001461093207 1069385591 /nfs/dbraw/zinc/38/55/91/1069385591.db2.gz OJNUUWWEZQOFJC-UHFFFAOYSA-N 0 0 394.219 3.908 20 10 GHCDRN COc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c(OC)c1 ZINC001163953744 1026370692 /nfs/dbraw/zinc/37/06/92/1026370692.db2.gz ZGOIBQRTKPHLKZ-UHFFFAOYSA-N 0 0 377.828 3.592 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)Cn1nc2c(cc1=O)Cc1ccccc1-2 ZINC000839967431 1026380035 /nfs/dbraw/zinc/38/00/35/1026380035.db2.gz GTEVVQRVWFPCBB-UHFFFAOYSA-N 0 0 388.515 3.749 20 10 GHCDRN COCCNc1nn(CN(Cc2ccc(N(C)C)cc2)C(C)C)c(=S)s1 ZINC000839969400 1026380846 /nfs/dbraw/zinc/38/08/46/1026380846.db2.gz OJWIMGRIDLHPHX-UHFFFAOYSA-N 0 0 395.598 3.666 20 10 GHCDRN O=C1C[C@@]2(CC[N@@H+](Cc3c(F)ccc(F)c3[O-])C2)CN1c1ccc(F)c(F)c1 ZINC001139684960 1026538328 /nfs/dbraw/zinc/53/83/28/1026538328.db2.gz SAYWANFCFMMAQE-HXUWFJFHSA-N 0 0 394.368 3.578 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC001164597468 1026562490 /nfs/dbraw/zinc/56/24/90/1026562490.db2.gz OEAQNLPWQQRYQC-UHFFFAOYSA-N 0 0 398.894 3.947 20 10 GHCDRN COc1cc(OC)c(CN2CCc3cccc(O)c3C2)cc1Br ZINC001139864226 1026678057 /nfs/dbraw/zinc/67/80/57/1026678057.db2.gz KUAIFWSBSJBWDA-UHFFFAOYSA-N 0 0 378.266 3.730 20 10 GHCDRN C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1Cc1c(O)cccc1Br ZINC001140098523 1026874594 /nfs/dbraw/zinc/87/45/94/1026874594.db2.gz CUPDZBVLWDEJDN-CYBMUJFWSA-N 0 0 399.329 3.986 20 10 GHCDRN Oc1cccc(Br)c1CN1CCN(c2cc(Cl)ccn2)CC1 ZINC001140101049 1026878873 /nfs/dbraw/zinc/87/88/73/1026878873.db2.gz HUBWAPPWEHEHKB-UHFFFAOYSA-N 0 0 382.689 3.525 20 10 GHCDRN CC(=O)c1ccc(N2CCN(Cc3c(O)cccc3Br)CC2)cc1 ZINC001140101555 1026880636 /nfs/dbraw/zinc/88/06/36/1026880636.db2.gz XTHDCICMKLWRCS-UHFFFAOYSA-N 0 0 389.293 3.680 20 10 GHCDRN CCOc1ccc(N2CCN(Cc3c(O)cccc3Br)CC2)cc1 ZINC001140102575 1026882385 /nfs/dbraw/zinc/88/23/85/1026882385.db2.gz SIIFPAYIFSMOCN-UHFFFAOYSA-N 0 0 391.309 3.876 20 10 GHCDRN Cc1cc(C(=O)NCCN2C[C@@H](C)OC[C@@H]2C)c(C)n1-c1ccc(Cl)cc1 ZINC001166151334 1026929111 /nfs/dbraw/zinc/92/91/11/1026929111.db2.gz IRNDPVSEBKOWBR-JKSUJKDBSA-N 0 0 389.927 3.587 20 10 GHCDRN COC(=O)c1cnc(SCc2ccc([N+](=O)[O-])cc2Br)s1 ZINC001166227466 1026948220 /nfs/dbraw/zinc/94/82/20/1026948220.db2.gz IHMYWAARUIEWGR-UHFFFAOYSA-N 0 0 389.252 3.893 20 10 GHCDRN CCOC(=O)c1cc(N2CCc3c(c4cc(OC)ccc4n3C)C2)ncc1Cl ZINC001166815621 1027092046 /nfs/dbraw/zinc/09/20/46/1027092046.db2.gz CQKDXHGVNHBPBI-UHFFFAOYSA-N 0 0 399.878 3.975 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2cc(N3CCC[C@H](C)C3)ncn2)C1 ZINC001166818916 1027094730 /nfs/dbraw/zinc/09/47/30/1027094730.db2.gz YOCCCQJTZIFUBL-INIZCTEOSA-N 0 0 391.519 3.776 20 10 GHCDRN CCOC(=O)c1cc(Cl)nc(N2CCc3c(c4cc(OC)ccc4n3C)C2)c1 ZINC001166819344 1027095135 /nfs/dbraw/zinc/09/51/35/1027095135.db2.gz YYUDYQXHMIFGIS-UHFFFAOYSA-N 0 0 399.878 3.975 20 10 GHCDRN Cc1cc(C(=O)Cn2nnc(-c3cscn3)n2)c(C)n1-c1ccc(C)c(F)c1 ZINC001166879680 1027130159 /nfs/dbraw/zinc/13/01/59/1027130159.db2.gz KJMXEERSZBVXGT-UHFFFAOYSA-N 0 0 396.451 3.535 20 10 GHCDRN CCOc1cccc(/C=C/C(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC001141804007 1027330189 /nfs/dbraw/zinc/33/01/89/1027330189.db2.gz QHZOPQRGDQUVGC-DHZHZOJOSA-N 0 0 382.529 3.968 20 10 GHCDRN COc1ccc(CNC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cc1OC ZINC000840237662 1027368448 /nfs/dbraw/zinc/36/84/48/1027368448.db2.gz JJBBQBRDKLBWSN-INIZCTEOSA-N 0 0 385.508 3.509 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000840243967 1027374646 /nfs/dbraw/zinc/37/46/46/1027374646.db2.gz HVYGISUOLIOFQC-OAQYLSRUSA-N 0 0 379.504 3.816 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000840250332 1027380872 /nfs/dbraw/zinc/38/08/72/1027380872.db2.gz LKWLMRYBHDOVAW-ZDUSSCGKSA-N 0 0 388.899 3.566 20 10 GHCDRN COc1ccc(OC2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC2)cc1 ZINC001141835479 1027392472 /nfs/dbraw/zinc/39/24/72/1027392472.db2.gz YHALNRUUARWKPY-UHFFFAOYSA-N 0 0 382.420 3.541 20 10 GHCDRN C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC001203565272 1027436219 /nfs/dbraw/zinc/43/62/19/1027436219.db2.gz YRMIIYUICCNRHO-NXEZZACHSA-N 0 0 393.119 3.510 20 10 GHCDRN Cn1cc([C@H]2COC3(C2)CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC3)cn1 ZINC001203575186 1027442938 /nfs/dbraw/zinc/44/29/38/1027442938.db2.gz FLFAVFKEVNOJKV-CQSZACIVSA-N 0 0 396.318 3.971 20 10 GHCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001203575246 1027443490 /nfs/dbraw/zinc/44/34/90/1027443490.db2.gz HQEKLRYXAHRUQM-LNLFQRSKSA-N 0 0 395.286 3.905 20 10 GHCDRN CCO[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1Cc1cnn(C)c1 ZINC001203579239 1027446744 /nfs/dbraw/zinc/44/67/44/1027446744.db2.gz OZPHRVDCPHTLHH-IRXDYDNUSA-N 0 0 384.307 3.655 20 10 GHCDRN O=C1C[C@]2(CC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)CN1c1ccccn1 ZINC001203577424 1027447039 /nfs/dbraw/zinc/44/70/39/1027447039.db2.gz CKSKREXUHMXSLP-IBGZPJMESA-N 0 0 392.286 3.723 20 10 GHCDRN COc1cccc(CN2CCn3c(COCC4CCCC4)cnc3[C@@H]2C)c1O ZINC001203593071 1027457736 /nfs/dbraw/zinc/45/77/36/1027457736.db2.gz YKFBPZOKXGOLOM-INIZCTEOSA-N 0 0 385.508 3.881 20 10 GHCDRN CCOC[C@@H]1CN(Cc2cc(Cl)ccc2O)Cc2nn(CC3CC3)cc21 ZINC001203656503 1027512294 /nfs/dbraw/zinc/51/22/94/1027512294.db2.gz QFFPFQRSUCFYIN-INIZCTEOSA-N 0 0 375.900 3.788 20 10 GHCDRN CS[C@H](C(N)=O)c1cccc(C(=O)c2ccccc2)c1Nc1cncc(N)c1 ZINC001210441048 1027512236 /nfs/dbraw/zinc/51/22/36/1027512236.db2.gz BKULSTOSBCQRSH-FQEVSTJZSA-N 0 0 392.484 3.528 20 10 GHCDRN Oc1ccc(Cl)cc1CN1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001203658804 1027513327 /nfs/dbraw/zinc/51/33/27/1027513327.db2.gz PBHBDZPRVDHKBV-OZOXKJRCSA-N 0 0 388.895 3.637 20 10 GHCDRN COCC[N@H+](Cc1cc(Cl)ccc1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203664509 1027516069 /nfs/dbraw/zinc/51/60/69/1027516069.db2.gz IDWJEDWPQIKPQM-MRXNPFEDSA-N 0 0 384.904 3.503 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)Cc1cnc(C(C)C)nc1 ZINC000840481658 1027566216 /nfs/dbraw/zinc/56/62/16/1027566216.db2.gz LIZXDRBFIOFWMH-QGZVFWFLSA-N 0 0 383.540 3.747 20 10 GHCDRN COc1ccc(CN(C)C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cc1OC ZINC000840482743 1027566278 /nfs/dbraw/zinc/56/62/78/1027566278.db2.gz AJDOXBGDVXVMEN-KRWDZBQOSA-N 0 0 399.535 3.851 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)Cc1cnc(C(C)C)nc1 ZINC000840481657 1027566307 /nfs/dbraw/zinc/56/63/07/1027566307.db2.gz LIZXDRBFIOFWMH-KRWDZBQOSA-N 0 0 383.540 3.747 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000840481498 1027566334 /nfs/dbraw/zinc/56/63/34/1027566334.db2.gz JPRDNNZZJCTGRQ-KOSHJBKYSA-N 0 0 393.531 3.833 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC2(C1)Oc1ccccc1O2 ZINC000840483852 1027567612 /nfs/dbraw/zinc/56/76/12/1027567612.db2.gz LNVPBPSQICMBAL-QGZVFWFLSA-N 0 0 395.503 3.575 20 10 GHCDRN CC[C@H](C)c1nnc([C@H](C)NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)[nH]1 ZINC000840483435 1027567804 /nfs/dbraw/zinc/56/78/04/1027567804.db2.gz KHHAHVYEIQBTSF-BPUTZDHNSA-N 0 0 386.544 3.684 20 10 GHCDRN COc1ncc(Nc2c(CC(N)=O)cccc2C(=O)c2ccccc2)cc1Cl ZINC001211048047 1027767971 /nfs/dbraw/zinc/76/79/71/1027767971.db2.gz GVDPULDLNREJFH-UHFFFAOYSA-N 0 0 395.846 3.746 20 10 GHCDRN C[C@H](NC(=S)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000840841627 1027873342 /nfs/dbraw/zinc/87/33/42/1027873342.db2.gz LOWLBGHGTXLNSN-AWEZNQCLSA-N 0 0 391.487 3.527 20 10 GHCDRN Cc1ccc([N+](=O)[O-])cc1Nc1c(CC(N)=O)cccc1C(=O)c1ccccc1 ZINC001211290056 1027893483 /nfs/dbraw/zinc/89/34/83/1027893483.db2.gz PLSOPJVFPSCTNB-UHFFFAOYSA-N 0 0 389.411 3.906 20 10 GHCDRN CN(Cc1ccc(S(C)(=O)=O)s1)Cc1ccc(N2CCCCC2)cc1 ZINC000840907573 1027942534 /nfs/dbraw/zinc/94/25/34/1027942534.db2.gz HMFCHLDWWKRQGV-UHFFFAOYSA-N 0 0 378.563 3.774 20 10 GHCDRN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccc2c(c1)C(=O)CCO2 ZINC000840915401 1027952163 /nfs/dbraw/zinc/95/21/63/1027952163.db2.gz HMWDXUZLTZXSIB-UHFFFAOYSA-N 0 0 375.446 3.590 20 10 GHCDRN O=C([O-])c1cccc(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)c1 ZINC000840994536 1028026818 /nfs/dbraw/zinc/02/68/18/1028026818.db2.gz VFIFJCAOVSJJPJ-UHFFFAOYSA-N 0 0 376.403 3.745 20 10 GHCDRN CC(C)(C)CC[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000840998672 1028031948 /nfs/dbraw/zinc/03/19/48/1028031948.db2.gz NLQQEIRQWIFIFX-INIZCTEOSA-N 0 0 377.485 3.954 20 10 GHCDRN CC(C)(C)Sc1ccc(NC(=O)C(=O)NCCc2ccc(N)cc2)cc1F ZINC000841175650 1028249194 /nfs/dbraw/zinc/24/91/94/1028249194.db2.gz WCRGCQSQTVUDAZ-UHFFFAOYSA-N 0 0 389.496 3.596 20 10 GHCDRN Nc1ccc(NC(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 ZINC000841301347 1028395514 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CC[C@H](NC(=O)NCCc1cc(C)n(-c2ccccc2)c1C)c1noc(C)n1 ZINC001223166150 1030464628 /nfs/dbraw/zinc/46/46/28/1030464628.db2.gz MFYNIXZRTWZSNR-IBGZPJMESA-N 0 0 381.480 3.779 20 10 GHCDRN Cc1cc(C)c(CC(=O)NCc2ccc(O)c(O)c2)c(C)c1Br ZINC001150378851 1030511327 /nfs/dbraw/zinc/51/13/27/1030511327.db2.gz XKKUUTQGXBPSRF-UHFFFAOYSA-N 0 0 378.266 3.644 20 10 GHCDRN CC(C)CN1CC[C@@]2(CCCN2Cc2cc(Br)cc(F)c2[O-])C1=O ZINC001276881385 1030524894 /nfs/dbraw/zinc/52/48/94/1030524894.db2.gz RAMLHCPQUPZHML-SFHVURJKSA-N 0 0 399.304 3.517 20 10 GHCDRN COc1ncc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1C(N)=O ZINC001150584360 1030579103 /nfs/dbraw/zinc/57/91/03/1030579103.db2.gz IDHHNVOOUIZRFK-UHFFFAOYSA-N 0 0 398.850 3.502 20 10 GHCDRN CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C ZINC001151214006 1030810911 /nfs/dbraw/zinc/81/09/11/1030810911.db2.gz UUUAOKWHPVNDFX-FPOVZHCZSA-N 0 0 381.520 3.862 20 10 GHCDRN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C ZINC001151214005 1030811292 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GHCDRN Nc1cc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1F ZINC001331433236 1051276484 /nfs/dbraw/zinc/27/64/84/1051276484.db2.gz BUGFOPUVLWSQFK-ZDUSSCGKSA-N 0 0 394.397 3.800 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)c3cc(C)ccc3N3CCCC3)CC2)cc1 ZINC001335132199 1052040068 /nfs/dbraw/zinc/04/00/68/1052040068.db2.gz DGQSDTZTHMEAIA-UHFFFAOYSA-N 0 0 393.531 3.956 20 10 GHCDRN Cc1cc(CCNC(=O)NCCCNc2ccccn2)c(C)n1-c1ccccc1 ZINC001311447825 1052159027 /nfs/dbraw/zinc/15/90/27/1052159027.db2.gz LYNCEDLLJMNTOG-UHFFFAOYSA-N 0 0 391.519 3.833 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC001311465196 1052177125 /nfs/dbraw/zinc/17/71/25/1052177125.db2.gz VSCURHPRAHHRKV-INIZCTEOSA-N 0 0 393.409 3.792 20 10 GHCDRN Nc1ccc(CNC(=O)N(Cc2csc(Br)c2)C2CC2)cc1 ZINC001336290542 1052254335 /nfs/dbraw/zinc/25/43/35/1052254335.db2.gz OAIAYRMSZWYHIQ-UHFFFAOYSA-N 0 0 380.311 3.967 20 10 GHCDRN COc1ccc(CCNC(=O)N[C@@H](C)c2ccccc2O)cc1OC(F)F ZINC001311809815 1052412190 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Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001319169451 1055075485 /nfs/dbraw/zinc/07/54/85/1055075485.db2.gz FJOPLWDBJZLORP-RTBURBONSA-N 0 0 389.540 3.761 20 10 GHCDRN COc1ccc(N2CCN(C(=O)C3(c4ccccc4OC)CCC3)CC2)cc1F ZINC001319173011 1055078282 /nfs/dbraw/zinc/07/82/82/1055078282.db2.gz SUGLOSPJJBBJFD-UHFFFAOYSA-N 0 0 398.478 3.613 20 10 GHCDRN CC[C@]1(C(=O)NCc2ccc(N(C)C)c(F)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC001319564170 1055325318 /nfs/dbraw/zinc/32/53/18/1055325318.db2.gz DGJNAWXAYBBEPL-NRFANRHFSA-N 0 0 393.503 3.545 20 10 GHCDRN Cc1c(I)cccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001320226493 1055716162 /nfs/dbraw/zinc/71/61/62/1055716162.db2.gz ZYQPIXQCQRDGHV-SOFGYWHQSA-N 0 0 395.196 3.663 20 10 GHCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc([C@@H](C)CC)cc1 ZINC001320519661 1055856741 /nfs/dbraw/zinc/85/67/41/1055856741.db2.gz JDSMVDGNXFNHBB-KSSFIOAISA-N 0 0 385.460 3.516 20 10 GHCDRN CC(C)n1ncc2c1[C@@H](NC(=O)NCc1ccc3c(c1)CCCN3C)CCC2 ZINC001320545550 1055873446 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CC(C)(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C(F)(F)F ZINC001354619684 1056826221 /nfs/dbraw/zinc/82/62/21/1056826221.db2.gz KFRVVCCXZXZKBJ-UHFFFAOYSA-N 0 0 380.357 3.962 20 10 GHCDRN CC(C)(C)c1ccc(NC(=O)NCc2cc(Br)ccc2O)nn1 ZINC001323044018 1056913993 /nfs/dbraw/zinc/91/39/93/1056913993.db2.gz NOHUEMQVMHWUGY-UHFFFAOYSA-N 0 0 379.258 3.564 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H]2C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000848242876 1056934666 /nfs/dbraw/zinc/93/46/66/1056934666.db2.gz PPTUCEGXEXHEOL-MGPUTAFESA-N 0 0 394.899 3.699 20 10 GHCDRN CCc1ccccc1N1C[C@@H](C(=O)NCc2ccc(N(CC)CC)cc2)CC1=O ZINC001355016394 1057019524 /nfs/dbraw/zinc/01/95/24/1057019524.db2.gz WEZPCZGDRRVICV-FQEVSTJZSA-N 0 0 393.531 3.765 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(-c2nnc(Cn3nnc(-c4ccccc4)n3)o2)cc1 ZINC001323927121 1057037816 /nfs/dbraw/zinc/03/78/16/1057037816.db2.gz IRFLPMSFAPANKN-UHFFFAOYSA-N 0 0 397.442 3.846 20 10 GHCDRN CC(C)n1ncc2c1[C@@H](NC(=O)NCCCSc1nccs1)CCC2 ZINC001323970989 1057046316 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COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC001621023139 1126245182 /nfs/dbraw/zinc/24/51/82/1126245182.db2.gz YIKOGVFCWLEPNH-IBGZPJMESA-N 0 0 394.309 3.555 20 10 GHCDRN Cc1ccc(F)c(C=C2SC(=S)N(c3ccccc3-c3nn[nH]n3)C2=O)c1 ZINC000737344849 599215471 /nfs/dbraw/zinc/21/54/71/599215471.db2.gz LCLIOXYTFBJWDO-OQLLNIDSSA-N 0 0 397.460 3.720 20 10 GHCDRN CCN(CC)c1ccc(CNc2snc(Cl)c2-c2nn[nH]n2)cc1F ZINC000736531044 598556599 /nfs/dbraw/zinc/55/65/99/598556599.db2.gz BZEJFQDIAXAZMU-UHFFFAOYSA-N 0 0 381.868 3.574 20 10 GHCDRN Cc1cc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737227678 598610239 /nfs/dbraw/zinc/61/02/39/598610239.db2.gz PDAAOLOBMXVTQN-KUHUBIRLSA-N 0 0 392.507 3.925 20 10 GHCDRN Cc1cc(C(=O)Nc2cc(C)ccc2O)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737365126 598619131 /nfs/dbraw/zinc/61/91/31/598619131.db2.gz QFQMHKBWUHQQPU-UHFFFAOYSA-N 0 0 388.431 3.541 20 10 GHCDRN Cc1cc(C(=O)N(C)[C@@H](C)C2(C)CC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000822167748 606582922 /nfs/dbraw/zinc/58/29/22/606582922.db2.gz HNIZCMDNMCXBQZ-HNNXBMFYSA-N 0 0 378.480 3.535 20 10 GHCDRN Cc1cc(C(=O)O[C@H](C)c2ccncc2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826261072 607959667 /nfs/dbraw/zinc/95/96/67/607959667.db2.gz PSHRDGUVFXRNSD-OAHLLOKOSA-N 0 0 388.431 3.587 20 10 GHCDRN Cc1ccc(-c2nc(CC(=O)N3CCOc4cc(N(C)C)ccc43)cs2)o1 ZINC000173186054 837590221 /nfs/dbraw/zinc/59/02/21/837590221.db2.gz YXOHRGWFPJYXBS-UHFFFAOYSA-N 0 0 383.473 3.746 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(Cl)cc2cccnc21 ZINC000120097787 834465311 /nfs/dbraw/zinc/46/53/11/834465311.db2.gz LNCXYRDUIHIWNR-UHFFFAOYSA-N 0 0 395.890 3.997 20 10 GHCDRN O=[N+]([O-])c1cc(Cl)ccc1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000052457434 834716559 /nfs/dbraw/zinc/71/65/59/834716559.db2.gz VYYBRURJCUZOAS-UHFFFAOYSA-N 0 0 379.819 3.961 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@@H]2CCN(C)C(=O)C2)cc1 ZINC000588613580 834903994 /nfs/dbraw/zinc/90/39/94/834903994.db2.gz AYJINVISPRZJKG-MRXNPFEDSA-N 0 0 379.464 3.519 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)Nc3ccc4c(c3)oc(=O)n4C)c2C)cc1 ZINC000728193431 835092186 /nfs/dbraw/zinc/09/21/86/835092186.db2.gz SNAFHILLWFRTDI-UHFFFAOYSA-N 0 0 391.427 3.800 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)C[C@@H](O)c2cccs2)cc1 ZINC000178984314 835117772 /nfs/dbraw/zinc/11/77/72/835117772.db2.gz JXIDCGPFOGLHBX-MAUKXSAKSA-N 0 0 375.538 3.906 20 10 GHCDRN CCCN1C(=O)CCc2cc(NCc3ccc([N+](=O)[O-])c(OC)c3O)ccc21 ZINC000278524468 835308656 /nfs/dbraw/zinc/30/86/56/835308656.db2.gz SURNSUFGJDHDFB-UHFFFAOYSA-N 0 0 385.420 3.610 20 10 GHCDRN Cc1cc(C(=O)CN2CCC[C@H](C3OCCO3)C2)c(C)n1-c1ccc(F)cc1 ZINC000728928267 844087768 /nfs/dbraw/zinc/08/77/68/844087768.db2.gz OEYBQQQTWAAGIP-KRWDZBQOSA-N 0 0 386.467 3.501 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)c1 ZINC000134567280 835841813 /nfs/dbraw/zinc/84/18/13/835841813.db2.gz JXBIZPXOSVFSHL-ZIAGYGMSSA-N 0 0 396.447 3.615 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccc4ccc(Cl)cc4n3)CC2)cc1 ZINC000176826555 835920248 /nfs/dbraw/zinc/92/02/48/835920248.db2.gz SALMWSXMJKBVOL-UHFFFAOYSA-N 0 0 381.863 3.859 20 10 GHCDRN CCOc1ccccc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000047338763 844107103 /nfs/dbraw/zinc/10/71/03/844107103.db2.gz XWEXAQYFNKEJJC-UHFFFAOYSA-N 0 0 383.492 3.616 20 10 GHCDRN COc1cccc(/C(C)=C\C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000255865186 836171612 /nfs/dbraw/zinc/17/16/12/836171612.db2.gz MKXKAFNYDHZELR-SDXDJHTJSA-N 0 0 380.488 3.594 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1 ZINC000471244610 836295205 /nfs/dbraw/zinc/29/52/05/836295205.db2.gz QVFAAGOWNBNJEG-XMMPIXPASA-N 0 0 389.499 3.798 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc2nnc(C(C)(C)C)n2c1 ZINC000473292691 844148069 /nfs/dbraw/zinc/14/80/69/844148069.db2.gz IPDKQRYEZAVSBF-UHFFFAOYSA-N 0 0 375.476 3.757 20 10 GHCDRN CC[C@@H](N[C@H](c1nccn1C)c1cc(OC)cc(OC)c1)c1ccccc1O ZINC000155046666 836305381 /nfs/dbraw/zinc/30/53/81/836305381.db2.gz KSSLHSGWQJJCCF-CTNGQTDRSA-N 0 0 381.476 3.973 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3ccc(OC)c4ncccc34)CC2)cc1 ZINC000178137122 836386063 /nfs/dbraw/zinc/38/60/63/836386063.db2.gz SOJFMHRXGWNRIG-UHFFFAOYSA-N 0 0 392.459 3.606 20 10 GHCDRN C[C@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000120841061 836650322 /nfs/dbraw/zinc/65/03/22/836650322.db2.gz MWBKCQYRYZDKGW-OAHLLOKOSA-N 0 0 390.886 3.811 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)NCc2cccc(Cl)c2O)CC1 ZINC000890762471 836733376 /nfs/dbraw/zinc/73/33/76/836733376.db2.gz DKSAWSAUUVYYTE-XBXGTLAGSA-N 0 0 382.888 3.745 20 10 GHCDRN CC(C)N(CCNC(=O)OC(C)(C)C)Cc1c(O)cccc1Br ZINC001140101513 837012562 /nfs/dbraw/zinc/01/25/62/837012562.db2.gz WTWZUOCFVAEQAS-UHFFFAOYSA-N 0 0 387.318 3.890 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000728949760 844232733 /nfs/dbraw/zinc/23/27/33/844232733.db2.gz CFVMTEYAZFVBCN-LSDHHAIUSA-N 0 0 397.475 3.649 20 10 GHCDRN CCCOc1ccc(CNC(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1OC ZINC000728949272 844253464 /nfs/dbraw/zinc/25/34/64/844253464.db2.gz TYOCSEBOVFCINC-AWEZNQCLSA-N 0 0 388.464 3.759 20 10 GHCDRN COc1ccc(N2CCN(c3ncc(Br)cc3Cl)CC2)cc1 ZINC000302725484 837954379 /nfs/dbraw/zinc/95/43/79/837954379.db2.gz NLBWXEXFCSOVGZ-UHFFFAOYSA-N 0 0 382.689 3.833 20 10 GHCDRN Cc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)c(Br)n1 ZINC000160317596 838221562 /nfs/dbraw/zinc/22/15/62/838221562.db2.gz LRCWXOYTQOVOLH-UHFFFAOYSA-N 0 0 375.266 3.667 20 10 GHCDRN COCCn1nc(C)c(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1C ZINC000179556371 838388016 /nfs/dbraw/zinc/38/80/16/838388016.db2.gz JLRKIUBOQGULGR-UHFFFAOYSA-N 0 0 399.539 3.801 20 10 GHCDRN Cc1cc([C@H](C)NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(C)s1 ZINC000122250720 838490950 /nfs/dbraw/zinc/49/09/50/838490950.db2.gz VNMVHXVDZZAVIA-AWEZNQCLSA-N 0 0 391.512 3.901 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000180034697 838498828 /nfs/dbraw/zinc/49/88/28/838498828.db2.gz CKHADBFDROHNHV-UHFFFAOYSA-N 0 0 379.363 3.534 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N(CCO)[C@@H]1CCCc2ccccc21 ZINC000175862138 838556199 /nfs/dbraw/zinc/55/61/99/838556199.db2.gz IJTJNUWIUMHHQT-HSZRJFAPSA-N 0 0 393.531 3.868 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)NCc2ccn(C(C)C)n2)CCCC1 ZINC000651364243 838986476 /nfs/dbraw/zinc/98/64/76/838986476.db2.gz YBVZUTFPNVHNHR-UHFFFAOYSA-N 0 0 380.492 3.623 20 10 GHCDRN CC(C)[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000728746045 839022499 /nfs/dbraw/zinc/02/24/99/839022499.db2.gz OMWULFPKNCNWHT-PKOBYXMFSA-N 0 0 377.504 3.676 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)NC[C@@H](CCO)c3ccccc3)c2C)cc1 ZINC000175920107 839130173 /nfs/dbraw/zinc/13/01/73/839130173.db2.gz LYKQAONLNGEEHR-HXUWFJFHSA-N 0 0 392.499 3.999 20 10 GHCDRN Cc1oc2ccccc2c1CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000184469507 839496989 /nfs/dbraw/zinc/49/69/89/839496989.db2.gz OVQGPJZBTDZDGB-UHFFFAOYSA-N 0 0 397.450 3.716 20 10 GHCDRN CCc1nc(C)c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)s1 ZINC000050333470 839871128 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Cc1ccc(-n2ncc(C(=O)NCCc3ccc(O)c(O)c3)c2C(C)C)cc1 ZINC000156701797 840479599 /nfs/dbraw/zinc/47/95/99/840479599.db2.gz KXHYOPNLYXBSBY-UHFFFAOYSA-N 0 0 379.460 3.688 20 10 GHCDRN COc1ccccc1S(=O)(=O)CCCN(C)c1ccc(OC(C)C)cc1 ZINC000759916737 840480297 /nfs/dbraw/zinc/48/02/97/840480297.db2.gz YPMZRURHOBEUNW-UHFFFAOYSA-N 0 0 377.506 3.783 20 10 GHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCCn1cc(Br)cn1 ZINC000312435252 840562403 /nfs/dbraw/zinc/56/24/03/840562403.db2.gz ILTSSUOKSKHNOH-UHFFFAOYSA-N 0 0 379.085 3.838 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(OC(F)F)cc1 ZINC000124134371 840801496 /nfs/dbraw/zinc/80/14/96/840801496.db2.gz FTRIMAMHEOTMKH-UHFFFAOYSA-N 0 0 395.381 3.585 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)CSc2nccn2-c2ccccc2)cc1 ZINC000026128275 840813973 /nfs/dbraw/zinc/81/39/73/840813973.db2.gz ILIMQPSQVKIWPN-UHFFFAOYSA-N 0 0 380.517 3.689 20 10 GHCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c1[O-] ZINC000124578875 841000882 /nfs/dbraw/zinc/00/08/82/841000882.db2.gz FYKIPARXKMCQNO-GOSISDBHSA-N 0 0 376.840 3.899 20 10 GHCDRN Cn1ccnc1Sc1ccc(F)cc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406200 841030392 /nfs/dbraw/zinc/03/03/92/841030392.db2.gz LQIHVAIFLASVTN-CLTKARDFSA-N 0 0 385.420 3.774 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCc2ccc(OC(F)F)cc2)c1 ZINC000728942285 844616637 /nfs/dbraw/zinc/61/66/37/844616637.db2.gz OBTVKTYVSQEENY-GFCCVEGCSA-N 0 0 380.391 3.605 20 10 GHCDRN O=C(/C=C\c1cncc(O)c1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000588410257 841323451 /nfs/dbraw/zinc/32/34/51/841323451.db2.gz KAPKRKQOILFBEI-UTCJRWHESA-N 0 0 394.452 3.867 20 10 GHCDRN CC(C)(C)c1nnc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000125336837 841396818 /nfs/dbraw/zinc/39/68/18/841396818.db2.gz QVPPHVGWAMEDFF-CQSZACIVSA-N 0 0 390.509 3.754 20 10 GHCDRN C[C@H](c1nc2ccccc2s1)N1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000023849078 841487146 /nfs/dbraw/zinc/48/71/46/841487146.db2.gz FRTRZYUQMVNPOA-CQSZACIVSA-N 0 0 397.500 3.609 20 10 GHCDRN COc1ccc(OC)c(CCCNC(=O)c2cc(C)n(-c3ccccn3)c2C)c1 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/nfs/dbraw/zinc/41/61/27/842416127.db2.gz BJFQVHDQMZLZOB-UHFFFAOYSA-N 0 0 392.221 3.763 20 10 GHCDRN Cc1cccc(-c2noc([C@@H](O)c3ccc(N(C)C)cc3)n2)c1Br ZINC001211701458 842687536 /nfs/dbraw/zinc/68/75/36/842687536.db2.gz XWESTNJIBODSOY-INIZCTEOSA-N 0 0 388.265 3.955 20 10 GHCDRN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(N)cc1 ZINC000236890629 842883932 /nfs/dbraw/zinc/88/39/32/842883932.db2.gz IGHPDAWTJFOWHZ-UHFFFAOYSA-N 0 0 394.302 3.995 20 10 GHCDRN CN(C)c1ccc(CNC(=O)c2cc3c(C(F)F)nn(C)c3s2)cc1F ZINC000279326635 842987741 /nfs/dbraw/zinc/98/77/41/842987741.db2.gz OLYHGZFONBVJRA-UHFFFAOYSA-N 0 0 382.411 3.708 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)Nc1cccnc1Br ZINC000178491380 843076996 /nfs/dbraw/zinc/07/69/96/843076996.db2.gz NOWHFPILBWGOAX-UHFFFAOYSA-N 0 0 375.270 3.766 20 10 GHCDRN COc1cccc([C@H]2CN(C(=O)NCc3ccc(N4CCCC4)cc3)CCO2)c1 ZINC000178565601 843306745 /nfs/dbraw/zinc/30/67/45/843306745.db2.gz ZBBSWXKIJFIXMN-JOCHJYFZSA-N 0 0 395.503 3.579 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N[C@H]3COc4ccccc4C3)cc2)CC1 ZINC000731048588 861418022 /nfs/dbraw/zinc/41/80/22/861418022.db2.gz NVPFALGDEMKLRX-HXUWFJFHSA-N 0 0 379.504 3.726 20 10 GHCDRN CC1CCN(c2ccc(CNS(=O)(=O)c3c(F)cc(F)cc3F)cc2)CC1 ZINC000731038604 861424782 /nfs/dbraw/zinc/42/47/82/861424782.db2.gz HLXBXHRKHGNSRH-UHFFFAOYSA-N 0 0 398.450 3.819 20 10 GHCDRN COc1cccc(CNC(=O)CCc2ccc(Br)c(C)c2)c1O ZINC000176130967 843523392 /nfs/dbraw/zinc/52/33/92/843523392.db2.gz GWHFJSVRUFLDBY-UHFFFAOYSA-N 0 0 378.266 3.721 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCc2ccnn2C)cc1 ZINC000588458728 843537645 /nfs/dbraw/zinc/53/76/45/843537645.db2.gz ASHUOGSAUCTICD-UHFFFAOYSA-N 0 0 376.464 3.874 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2cccc(NC(=O)C3CCC3)c2)c1 ZINC000728945322 843802117 /nfs/dbraw/zinc/80/21/17/843802117.db2.gz NIRNSYXZARYIDS-CQSZACIVSA-N 0 0 397.475 3.700 20 10 GHCDRN COCc1cccc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000171097339 861479871 /nfs/dbraw/zinc/47/98/71/861479871.db2.gz 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CCN(CC)c1ccc(CNC(=O)Cn2ccc3cc(OC)ccc32)cc1F ZINC000731346097 861580775 /nfs/dbraw/zinc/58/07/75/861580775.db2.gz QUGHBGVGYWDLRK-UHFFFAOYSA-N 0 0 383.467 3.952 20 10 GHCDRN CCOC(=O)C1CCC(NC(=O)NCc2ccc(N(CC)CC)c(F)c2)CC1 ZINC000731403490 861612922 /nfs/dbraw/zinc/61/29/22/861612922.db2.gz LYOZODFJBNMSEQ-UHFFFAOYSA-N 0 0 393.503 3.593 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@H]2c2cccc3c2OCCO3)cc1 ZINC000171146836 861637482 /nfs/dbraw/zinc/63/74/82/861637482.db2.gz LYWKNJWMZYIAED-IBGZPJMESA-N 0 0 381.476 3.571 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)Nc3ccn(CCC(C)C)n3)CC2)cc1 ZINC000161115168 846110256 /nfs/dbraw/zinc/11/02/56/846110256.db2.gz COXDLKSRAKLZQE-UHFFFAOYSA-N 0 0 385.512 3.728 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)NCC1(c2ccccc2Cl)CCOCC1 ZINC000106344959 846142205 /nfs/dbraw/zinc/14/22/05/846142205.db2.gz FBWSJGTYINTXRL-UHFFFAOYSA-N 0 0 388.895 3.935 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)C(C)(C)C3CCOCC3)cc2F)C[C@H](C)O1 ZINC000280013306 846258331 /nfs/dbraw/zinc/25/83/31/846258331.db2.gz 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CN(C)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000161407855 875341662 /nfs/dbraw/zinc/34/16/62/875341662.db2.gz FUKAUYWRRGANNI-UHFFFAOYSA-N 0 0 389.702 3.969 20 10 GHCDRN COc1cccc(CNC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)c1O ZINC000105650486 875354947 /nfs/dbraw/zinc/35/49/47/875354947.db2.gz IHYJORBVEKQFKR-CABCVRRESA-N 0 0 376.250 3.583 20 10 GHCDRN COc1cccc(CNC(=O)c2ccccc2C(=O)c2ccc(C)cc2)c1O ZINC000105651958 875356310 /nfs/dbraw/zinc/35/63/10/875356310.db2.gz MANPQEHTPARETJ-UHFFFAOYSA-N 0 0 375.424 3.870 20 10 GHCDRN Oc1ccccc1CN(C[C@@H]1CCCO1)c1nccc(OCc2ccccc2)n1 ZINC000771675703 875415117 /nfs/dbraw/zinc/41/51/17/875415117.db2.gz PYBHKWVAKGSLFI-FQEVSTJZSA-N 0 0 391.471 3.947 20 10 GHCDRN Cc1cc(-c2nc(-c3cnc(OCC(F)F)cn3)no2)c(C)n1-c1ccccn1 ZINC000771743675 875431137 /nfs/dbraw/zinc/43/11/37/875431137.db2.gz DPDQJKLYFHAOCI-UHFFFAOYSA-N 0 0 398.373 3.640 20 10 GHCDRN COc1ccc(N(C)Cc2nc(COc3cc(C)cc(C)c3)no2)cc1OC ZINC000771796727 875466562 /nfs/dbraw/zinc/46/65/62/875466562.db2.gz 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C[C@@H](NC(=O)N(CCCO)[C@@H]1CCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000776239853 875997802 /nfs/dbraw/zinc/99/78/02/875997802.db2.gz WPFNRGJCMCYSJA-VGOFRKELSA-N 0 0 381.520 3.895 20 10 GHCDRN C[C@H](NC(=O)N1CCSC[C@@H]1c1nccs1)c1ccc(N(C)C)cc1 ZINC000776239245 875998884 /nfs/dbraw/zinc/99/88/84/875998884.db2.gz SPKFVRXIGFWXBS-XJKSGUPXSA-N 0 0 376.551 3.770 20 10 GHCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000776247224 876026757 /nfs/dbraw/zinc/02/67/57/876026757.db2.gz BEEWDKVQHXDUDJ-CYBMUJFWSA-N 0 0 389.801 3.885 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](c1ccc(OC)cc1)C(C)C ZINC000785544339 876096979 /nfs/dbraw/zinc/09/69/79/876096979.db2.gz LMDVVCFYCCDADG-NRFANRHFSA-N 0 0 398.503 3.653 20 10 GHCDRN C[C@H](OC(=O)c1cccc(O)c1O)C(=O)Nc1ccccc1-c1ccccc1 ZINC000776284065 876154783 /nfs/dbraw/zinc/15/47/83/876154783.db2.gz RSJPBXGBJZBXNR-AWEZNQCLSA-N 0 0 377.396 3.949 20 10 GHCDRN O=C(NCCCSc1nccs1)N1CCC[C@H](Cc2nccs2)C1 ZINC000921447282 883005868 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CC(=O)N1CCN(c2ccc(CNC(=O)Nc3ccccc3C(C)C)cc2)CC1 ZINC000786054289 876431027 /nfs/dbraw/zinc/43/10/27/876431027.db2.gz ZYPIVSOWTZVUAH-UHFFFAOYSA-N 0 0 394.519 3.800 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3cc(F)c(Cl)nc3Cl)CC2)cc1 ZINC000108166731 876442410 /nfs/dbraw/zinc/44/24/10/876442410.db2.gz RMEOCQNZDQNSCH-UHFFFAOYSA-N 0 0 398.265 3.935 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)cc2)CC1 ZINC000108294427 876451509 /nfs/dbraw/zinc/45/15/09/876451509.db2.gz ZBJDNRLEEWITSA-FQEVSTJZSA-N 0 0 395.478 3.804 20 10 GHCDRN CC1CCN(c2ccc(CNS(=O)(=O)Cc3ccc(Cl)nc3)cc2)CC1 ZINC000108403617 876465809 /nfs/dbraw/zinc/46/58/09/876465809.db2.gz KXQDHSNQRNGWSU-UHFFFAOYSA-N 0 0 393.940 3.591 20 10 GHCDRN CC1CCN(c2ccc(CNS(=O)(=O)Cc3ccc(F)cc3)cc2)CC1 ZINC000108403576 876465907 /nfs/dbraw/zinc/46/59/07/876465907.db2.gz FLXWUHSAESTYNC-UHFFFAOYSA-N 0 0 376.497 3.682 20 10 GHCDRN COc1cc(C)c([C@@H](C)NC(=O)COc2ccc(N3CCCC3)cc2)cc1OC ZINC000152003384 876472169 /nfs/dbraw/zinc/47/21/69/876472169.db2.gz 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/nfs/dbraw/zinc/93/02/40/878930240.db2.gz UMFDEAPEUDQHMX-INIZCTEOSA-N 0 0 382.291 3.592 20 10 GHCDRN COC[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(F)c(F)c1 ZINC000180543235 879020743 /nfs/dbraw/zinc/02/07/43/879020743.db2.gz FNENZJFQXCDFDV-HXUWFJFHSA-N 0 0 387.430 3.528 20 10 GHCDRN Cc1nc(C)c(Br)c(N(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000853462478 879037275 /nfs/dbraw/zinc/03/72/75/879037275.db2.gz VYEXMSMMYOPARC-OAHLLOKOSA-N 0 0 392.297 3.747 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(-c3ccccn3)[nH]c2=O)cc1 ZINC000746823758 879056060 /nfs/dbraw/zinc/05/60/60/879056060.db2.gz QMZJVSKBDPSAKS-UHFFFAOYSA-N 0 0 390.487 3.968 20 10 GHCDRN CCN(C[C@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1)CC(F)(F)F ZINC000093771072 912431787 /nfs/dbraw/zinc/43/17/87/912431787.db2.gz OYIRFWZHOQIQTA-GFCCVEGCSA-N 0 0 395.263 3.861 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000853748576 879261396 /nfs/dbraw/zinc/26/13/96/879261396.db2.gz HEYCQJJEHHTIFX-HXUWFJFHSA-N 0 0 383.492 3.717 20 10 GHCDRN CC1(C)CC[C@@]([NH2+]Cc2ccc(N3CCOCC3)cc2)(C(=O)[O-])c2ccccc21 ZINC000789904174 879351119 /nfs/dbraw/zinc/35/11/19/879351119.db2.gz RTFBUIPACVPEEI-DEOSSOPVSA-N 0 0 394.515 3.664 20 10 GHCDRN OC1CCN(c2ccc(CNc3cc(OCc4ccccc4)ncn3)cc2)CC1 ZINC000853957139 879400075 /nfs/dbraw/zinc/40/00/75/879400075.db2.gz JHCACUGBGGZRDZ-UHFFFAOYSA-N 0 0 390.487 3.629 20 10 GHCDRN O=[N+]([O-])c1ccc2c(ccnc2NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000853957814 879401276 /nfs/dbraw/zinc/40/12/76/879401276.db2.gz RIFLCNXXCDGFRM-UHFFFAOYSA-N 0 0 378.432 3.716 20 10 GHCDRN COc1cccc(/C=C2\SC(=S)N([C@@H]3CCOc4ccccc43)C2=O)n1 ZINC000790107736 879442763 /nfs/dbraw/zinc/44/27/63/879442763.db2.gz JVXULAIOJDDUFE-VQCBNXJZSA-N 0 0 384.482 3.815 20 10 GHCDRN Cc1cc(C(=O)NCCC[C@@H](C)O)c(C)n1-c1cccc(Br)c1 ZINC000790087372 879454617 /nfs/dbraw/zinc/45/46/17/879454617.db2.gz ROPFWDIOCXTFQP-CYBMUJFWSA-N 0 0 379.298 3.747 20 10 GHCDRN C[C@@H](NC(=O)NCc1ccc(C2CC2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000790248727 879547431 /nfs/dbraw/zinc/54/74/31/879547431.db2.gz CKELBMVFDCPWKB-QGZVFWFLSA-N 0 0 379.504 3.961 20 10 GHCDRN CNC(=O)c1cccc(CCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000152656292 879548033 /nfs/dbraw/zinc/54/80/33/879548033.db2.gz XTNKSSHMVCLLRC-UHFFFAOYSA-N 0 0 393.531 3.628 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cc2csc(-n3c(C)ccc3C)n2)c1 ZINC000170900704 879573299 /nfs/dbraw/zinc/57/32/99/879573299.db2.gz ZXRXQHMIKHAGAV-CQSZACIVSA-N 0 0 385.489 3.685 20 10 GHCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)[C@H]1CCc2ccccc2[C@@H]1O ZINC001183393480 912473934 /nfs/dbraw/zinc/47/39/34/912473934.db2.gz MRYONLMALXOREQ-JXFKEZNVSA-N 0 0 382.847 3.506 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3ccc(OC)c(Cl)c3)C2)cc1 ZINC000854184289 879615695 /nfs/dbraw/zinc/61/56/95/879615695.db2.gz AYTGSINXQACGHC-AWEZNQCLSA-N 0 0 375.856 3.758 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3cc(Cl)nc(C(F)(F)F)c3)CC2)cc1 ZINC000854199060 879623165 /nfs/dbraw/zinc/62/31/65/879623165.db2.gz VKEVFGHMLZXGRL-UHFFFAOYSA-N 0 0 399.800 3.725 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3cc4sccc4nc3Cl)CC2)cc1 ZINC000854197979 879623426 /nfs/dbraw/zinc/62/34/26/879623426.db2.gz ATQXXECDLGKDQU-UHFFFAOYSA-N 0 0 387.892 3.921 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1cnc(C(F)(F)F)nc1 ZINC000854287858 879697148 /nfs/dbraw/zinc/69/71/48/879697148.db2.gz AWTJTYDVRSXHHO-UHFFFAOYSA-N 0 0 382.386 3.713 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)NC3(c4cccc(OC)c4)CCC3)C2)cc1 ZINC000854296526 879702337 /nfs/dbraw/zinc/70/23/37/879702337.db2.gz JLXLKPGNYKTZGJ-GOSISDBHSA-N 0 0 395.503 3.661 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N(Cc3cccc(F)c3)C3CC3)C2)cc1 ZINC000854301246 879705180 /nfs/dbraw/zinc/70/51/80/879705180.db2.gz MAVHYNZMKBOWEY-GOSISDBHSA-N 0 0 383.467 3.787 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N(Cc3ccc(F)cc3)C3CC3)C2)cc1 ZINC000854301949 879706098 /nfs/dbraw/zinc/70/60/98/879706098.db2.gz GTTYUZLRCXGWMF-SFHVURJKSA-N 0 0 383.467 3.787 20 10 GHCDRN CCOC(=O)Nc1ccc(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000854302024 879706213 /nfs/dbraw/zinc/70/62/13/879706213.db2.gz WPIHXHTVRAWOCW-KRWDZBQOSA-N 0 0 398.463 3.664 20 10 GHCDRN C[C@H]1CCSCCN1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000790398952 879712361 /nfs/dbraw/zinc/71/23/61/879712361.db2.gz WXGQTWUIYJSLBP-GJZGRUSLSA-N 0 0 399.507 3.794 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)c2cccn3cc(C(F)(F)F)nc23)cc1 ZINC000854324037 879727786 /nfs/dbraw/zinc/72/77/86/879727786.db2.gz FNIFHIACJRTVIJ-UHFFFAOYSA-N 0 0 376.382 3.691 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(C(F)(F)Br)nc2)cc1 ZINC000854324673 879729011 /nfs/dbraw/zinc/72/90/11/879729011.db2.gz MNQAHGOWGUXAQI-UHFFFAOYSA-N 0 0 398.251 3.864 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)c1cnn(Cc2ccccc2)c1N ZINC000854373669 879765764 /nfs/dbraw/zinc/76/57/64/879765764.db2.gz JPJXQOFGTWONHQ-UHFFFAOYSA-N 0 0 378.476 3.662 20 10 GHCDRN C[C@H](O)[C@](C)(CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)Cc1ccccc1 ZINC000790501858 879775153 /nfs/dbraw/zinc/77/51/53/879775153.db2.gz JBRQYDWJJWWPGN-BSRJHKFKSA-N 0 0 383.536 3.743 20 10 GHCDRN COc1ccc(OC(C)(C)C(=O)NCc2cc(Br)ccc2O)cc1 ZINC000854442156 879814021 /nfs/dbraw/zinc/81/40/21/879814021.db2.gz IPXZYMYMZZCCCI-UHFFFAOYSA-N 0 0 394.265 3.637 20 10 GHCDRN CO[C@H]1CCOc2c(NC(=O)NCc3ccc(N4CC=CC4)cc3)cccc21 ZINC000790565766 879823636 /nfs/dbraw/zinc/82/36/36/879823636.db2.gz SZXLPLSBNQRSKN-FQEVSTJZSA-N 0 0 379.460 3.855 20 10 GHCDRN O=S(=O)(Nc1ccc(O)cc1)c1ccc(OCC(F)F)c2ccccc21 ZINC000776745150 879852402 /nfs/dbraw/zinc/85/24/02/879852402.db2.gz SMRNPJOHHXGRCE-UHFFFAOYSA-N 0 0 379.384 3.990 20 10 GHCDRN COc1c(NCc2cccc(Br)c2O)cc(Cl)cc1C(N)=O ZINC000790653380 879917313 /nfs/dbraw/zinc/91/73/13/879917313.db2.gz SHWOBRHOLXKHJC-UHFFFAOYSA-N 0 0 385.645 3.528 20 10 GHCDRN C[C@@]12CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)C[C@@H]1C2(Cl)Cl ZINC000790730944 879966865 /nfs/dbraw/zinc/96/68/65/879966865.db2.gz GEOORFIWHXUKJH-FUHWJXTLSA-N 0 0 380.319 3.788 20 10 GHCDRN C[C@H](C(=O)N1CCc2cccc(O)c2C1)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC001183443613 912531534 /nfs/dbraw/zinc/53/15/34/912531534.db2.gz VZUCIGBSHJDCLZ-JXFKEZNVSA-N 0 0 377.484 3.992 20 10 GHCDRN CC[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccc2c(c1)OCCO2 ZINC000746975383 880200828 /nfs/dbraw/zinc/20/08/28/880200828.db2.gz IBEXMBHSACIGQH-QGZVFWFLSA-N 0 0 387.455 3.613 20 10 GHCDRN CN1CCCc2cc(CNC(=O)N[C@H](c3ccc(F)cc3)[C@H]3CCCO3)ccc21 ZINC000746980938 880223261 /nfs/dbraw/zinc/22/32/61/880223261.db2.gz CCAWXGOEVLQKCW-FGZHOGPDSA-N 0 0 397.494 3.928 20 10 GHCDRN CN1CCCc2cc(CNC(=O)N3CCc4[nH]c5ccc(F)cc5c4C3)ccc21 ZINC000746983259 880228815 /nfs/dbraw/zinc/22/88/15/880228815.db2.gz XJSFLWJNDOYCKC-UHFFFAOYSA-N 0 0 392.478 3.957 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)COCc1ccccc1 ZINC000791249392 880283654 /nfs/dbraw/zinc/28/36/54/880283654.db2.gz WBCNWWFISCOJSE-UHFFFAOYSA-N 0 0 398.503 3.592 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1nc(-c2ccccc2)cs1 ZINC000791309374 880346213 /nfs/dbraw/zinc/34/62/13/880346213.db2.gz WZPCDAVEJFUCBR-UHFFFAOYSA-N 0 0 393.512 3.919 20 10 GHCDRN CC[C@H](C)c1nc(C)c(CC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c(C)n1 ZINC000855222909 880367745 /nfs/dbraw/zinc/36/77/45/880367745.db2.gz CTVGGTNIQAPQBN-MAUKXSAKSA-N 0 0 396.535 3.553 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)C[C@H](c3ccc(O)cc3)C3CC3)C2)cc1 ZINC000855223078 880367966 /nfs/dbraw/zinc/36/79/66/880367966.db2.gz DWZBROQXOAKNGO-GCJKJVERSA-N 0 0 380.488 3.680 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)[C@H](C)c3cn(C)c4ccccc34)C2)cc1 ZINC000855228300 880371891 /nfs/dbraw/zinc/37/18/91/880371891.db2.gz YYSOEOTZJJXTMA-SJORKVTESA-N 0 0 377.488 3.686 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3cc(C)nc4onc(C(C)C)c43)C2)cc1 ZINC000855228699 880373397 /nfs/dbraw/zinc/37/33/97/880373397.db2.gz DJFOBEFPQUVJET-HNNXBMFYSA-N 0 0 394.475 3.672 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(-c4ccco4)nc3C)C2)cc1 ZINC000855229103 880374306 /nfs/dbraw/zinc/37/43/06/880374306.db2.gz HOKBBDUZPRFJBS-MRXNPFEDSA-N 0 0 377.444 3.667 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)CCC(=O)c3ccc4c(c3)CCC4)C2)cc1 ZINC000855229473 880374396 /nfs/dbraw/zinc/37/43/96/880374396.db2.gz NVLAVDMGWNJNCN-FQEVSTJZSA-N 0 0 392.499 3.542 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)/C=C(/C)Cc3ccccc3OC)C2)cc1 ZINC000855231093 880375623 /nfs/dbraw/zinc/37/56/23/880375623.db2.gz JRQFBTRIHNIIIH-AOBSDOCKSA-N 0 0 380.488 3.588 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)Cc3ccc(OC(F)(F)F)cc3)C2)cc1 ZINC000855230466 880375634 /nfs/dbraw/zinc/37/56/34/880375634.db2.gz DJVJODGUYYMIPP-OAHLLOKOSA-N 0 0 394.393 3.531 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3cccc([C@H]4CCCOC4)c3)C2)cc1 ZINC000855233371 880377488 /nfs/dbraw/zinc/37/74/88/880377488.db2.gz GNQRPXTYQAIIAU-PMACEKPBSA-N 0 0 380.488 3.598 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cccn3Cc3ccccc3)C2)cc1 ZINC000855232594 880377653 /nfs/dbraw/zinc/37/76/53/880377653.db2.gz SHNVOOMLNSGENF-LJQANCHMSA-N 0 0 375.472 3.554 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)CCc3cccc(OC(C)(C)C)n3)C2)cc1 ZINC000855233706 880379339 /nfs/dbraw/zinc/37/93/39/880379339.db2.gz LAGMGDLLHWQAAP-GOSISDBHSA-N 0 0 397.519 3.595 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNc3nc(C(F)(F)F)ns3)cc2F)C[C@@H](C)O1 ZINC000791408520 880392480 /nfs/dbraw/zinc/39/24/80/880392480.db2.gz TWQMTTGSABUAKG-NXEZZACHSA-N 0 0 390.406 3.922 20 10 GHCDRN CN(CCS(=O)(=O)Cc1ccccc1)Cc1ccc(N2CCCCC2)cc1 ZINC000791442962 880409280 /nfs/dbraw/zinc/40/92/80/880409280.db2.gz PZIRPCWPMNYCQE-UHFFFAOYSA-N 0 0 386.561 3.724 20 10 GHCDRN CN(Cc1ccc(F)cc1Br)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000791528445 880482348 /nfs/dbraw/zinc/48/23/48/880482348.db2.gz AHJLLNIJXZKPJQ-XVNBXDOJSA-N 0 0 380.213 3.671 20 10 GHCDRN COC(=O)C(C)(C)n1ccc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n1 ZINC000855894359 880839288 /nfs/dbraw/zinc/83/92/88/880839288.db2.gz BFDDVVOKZNKEOA-UHFFFAOYSA-N 0 0 398.438 3.590 20 10 GHCDRN Oc1cc2c(cc1CN1CCc3cc(Br)cc(F)c3C1)OCO2 ZINC000774643547 912614025 /nfs/dbraw/zinc/61/40/25/912614025.db2.gz AYPFBRUSELXAON-UHFFFAOYSA-N 0 0 380.213 3.581 20 10 GHCDRN CCC[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@H](O)c1ccccc1 ZINC000792028148 880866876 /nfs/dbraw/zinc/86/68/76/880866876.db2.gz NIDHQXMLFLXWRM-FCHUYYIVSA-N 0 0 381.520 3.988 20 10 GHCDRN CCC[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@@H](O)c1ccccc1 ZINC000792028155 880867301 /nfs/dbraw/zinc/86/73/01/880867301.db2.gz NIDHQXMLFLXWRM-YADHBBJMSA-N 0 0 381.520 3.988 20 10 GHCDRN CCC[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@H](O)c1ccccc1 ZINC000792057413 880871443 /nfs/dbraw/zinc/87/14/43/880871443.db2.gz DBLHDTPQKVPPMZ-RBBKRZOGSA-N 0 0 381.520 3.771 20 10 GHCDRN C[C@H](Nc1cccc(CN2CCOC2=O)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000776847746 880896522 /nfs/dbraw/zinc/89/65/22/880896522.db2.gz OBGBBMZBRRGOGT-INIZCTEOSA-N 0 0 399.466 3.788 20 10 GHCDRN C[C@@H](Nc1cccc(CN2CCOC2=O)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000776847751 880896697 /nfs/dbraw/zinc/89/66/97/880896697.db2.gz OBGBBMZBRRGOGT-MRXNPFEDSA-N 0 0 399.466 3.788 20 10 GHCDRN C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc2ncsc2c1 ZINC000776857357 880903036 /nfs/dbraw/zinc/90/30/36/880903036.db2.gz SGBFFIIXRSPVIR-OAHLLOKOSA-N 0 0 396.516 3.693 20 10 GHCDRN CC[C@H]([NH2+][C@@H]1CCOC[C@H]1OCCOC)c1ccc(Cl)c(Cl)c1[O-] ZINC000776868640 880916737 /nfs/dbraw/zinc/91/67/37/880916737.db2.gz JMEOMISJNNCPNK-RRFJBIMHSA-N 0 0 378.296 3.560 20 10 GHCDRN Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3c([O-])ccc(Cl)c3F)C2)n1 ZINC000792162167 880934256 /nfs/dbraw/zinc/93/42/56/880934256.db2.gz GTSVXQBRCIRBOJ-ZDUSSCGKSA-N 0 0 377.847 3.739 20 10 GHCDRN COc1cc(N2CCN(Cc3ccsc3Cl)CC2)cc(OC)c1OC ZINC000792175293 880965251 /nfs/dbraw/zinc/96/52/51/880965251.db2.gz SASDWQFOCQUKAJ-UHFFFAOYSA-N 0 0 382.913 3.750 20 10 GHCDRN CCc1ccc(-c2noc([C@H](C)NCc3cc(OC)c(OC)cc3O)n2)cc1 ZINC000792181929 880968076 /nfs/dbraw/zinc/96/80/76/880968076.db2.gz WJAQUJLPMWJZJJ-ZDUSSCGKSA-N 0 0 383.448 3.873 20 10 GHCDRN CCOC(=O)c1csc([C@H]2CCCN2Cc2ccc(N(C)C)c(F)c2)n1 ZINC000792196839 880981569 /nfs/dbraw/zinc/98/15/69/880981569.db2.gz MKKHYIAQIWQBHV-QGZVFWFLSA-N 0 0 377.485 3.862 20 10 GHCDRN Cc1ccc(-c2cc(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)on2)cc1 ZINC000856209762 881043672 /nfs/dbraw/zinc/04/36/72/881043672.db2.gz ASXMCAZZUBVAKK-UHFFFAOYSA-N 0 0 391.471 3.541 20 10 GHCDRN O=C(/C=C\c1ccc(Cl)s1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856210282 881043739 /nfs/dbraw/zinc/04/37/39/881043739.db2.gz VTDDXQLUUOINAS-VURMDHGXSA-N 0 0 376.909 3.692 20 10 GHCDRN COc1ccccc1CC(C)(C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856211140 881045802 /nfs/dbraw/zinc/04/58/02/881045802.db2.gz GTFWSNOHROLXGN-UHFFFAOYSA-N 0 0 396.531 3.541 20 10 GHCDRN CCc1c(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cnn1C(CC)CC ZINC000856213758 881048750 /nfs/dbraw/zinc/04/87/50/881048750.db2.gz WQSRIBPGMAFOSE-UHFFFAOYSA-N 0 0 398.551 3.698 20 10 GHCDRN COc1ccc(N2CCCN(Cc3nnc(-c4ccccc4)s3)CC2)cc1 ZINC000155124003 881101637 /nfs/dbraw/zinc/10/16/37/881101637.db2.gz WJIJDHRUSJNLES-UHFFFAOYSA-N 0 0 380.517 3.926 20 10 GHCDRN CC[C@H](C)n1ncc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1C ZINC000792482481 881138185 /nfs/dbraw/zinc/13/81/85/881138185.db2.gz REJJNFDNAHNJNG-HNNXBMFYSA-N 0 0 385.512 3.962 20 10 GHCDRN Cc1cc(C)cc(OCCNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000919916267 881140385 /nfs/dbraw/zinc/14/03/85/881140385.db2.gz FTQBTYPFBCTELN-HXUWFJFHSA-N 0 0 398.503 3.779 20 10 GHCDRN CCOC(=O)c1ccc(CNC(=O)NCc2ccc(N(CC)CC)cc2)cc1 ZINC000919919572 881184042 /nfs/dbraw/zinc/18/40/42/881184042.db2.gz UWLGWECYQGDPSU-UHFFFAOYSA-N 0 0 383.492 3.709 20 10 GHCDRN COc1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc2c1OCCO2 ZINC000010962829 881201291 /nfs/dbraw/zinc/20/12/91/881201291.db2.gz SDZCUGXLVKKMPA-UHFFFAOYSA-N 0 0 396.487 3.729 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(OCC(F)(F)F)cc2)c1 ZINC000103507751 881240859 /nfs/dbraw/zinc/24/08/59/881240859.db2.gz HLGFGMQXOAVBHT-GFCCVEGCSA-N 0 0 398.381 3.902 20 10 GHCDRN COc1ccc(N2CCN(C(=O)C[C@H]3CCCc4cc(OC)ccc43)CC2)cc1 ZINC000919962804 881277284 /nfs/dbraw/zinc/27/72/84/881277284.db2.gz YKTHFZXCQMXNNH-LJQANCHMSA-N 0 0 394.515 3.863 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cnn(C)c2-n2c(C)ccc2C)cc1 ZINC000919993000 881326944 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Cc1cc(I)cc(NC(=O)NCc2ccccc2O)c1 ZINC000806682599 884912234 /nfs/dbraw/zinc/91/22/34/884912234.db2.gz KAYYNGQHDQFFBH-UHFFFAOYSA-N 0 0 382.201 3.627 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC[C@@H](OC(F)F)C2)c1 ZINC000860703615 884929868 /nfs/dbraw/zinc/92/98/68/884929868.db2.gz XKVNFSKEYXTOAT-GOSISDBHSA-N 0 0 376.403 3.750 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)CSc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000914848161 884936742 /nfs/dbraw/zinc/93/67/42/884936742.db2.gz XPVWCABUIFPSMT-UHFFFAOYSA-N 0 0 385.489 3.944 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2ccnc(N(C)C)c2)c(C)n1-c1ccc(F)cc1 ZINC000919153950 884974974 /nfs/dbraw/zinc/97/49/74/884974974.db2.gz SLMQKMHZIGYMOI-UHFFFAOYSA-N 0 0 395.434 3.734 20 10 GHCDRN CC(C)Cn1ncc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1C1CC1 ZINC000806815757 885015367 /nfs/dbraw/zinc/01/53/67/885015367.db2.gz UDRJBCFAMIYPSJ-UHFFFAOYSA-N 0 0 397.523 3.575 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117769668 885053882 /nfs/dbraw/zinc/05/38/82/885053882.db2.gz 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393.491 3.964 20 10 GHCDRN Cc1nc(C(C)(C)NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)no1 ZINC000807275088 885336002 /nfs/dbraw/zinc/33/60/02/885336002.db2.gz DCPWDSNZRTXVKH-UHFFFAOYSA-N 0 0 392.419 3.783 20 10 GHCDRN CCOc1cc(Br)ccc1NC(=O)NCc1cccc(OC)c1O ZINC000154955631 885382293 /nfs/dbraw/zinc/38/22/93/885382293.db2.gz HZPKKHCSYXHZFF-UHFFFAOYSA-N 0 0 395.253 3.884 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000807506431 885493027 /nfs/dbraw/zinc/49/30/27/885493027.db2.gz WLMGCLFDECPQEY-YLJYHZDGSA-N 0 0 398.478 3.722 20 10 GHCDRN C[C@@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000762156158 885496143 /nfs/dbraw/zinc/49/61/43/885496143.db2.gz NQCMPDSLBPSSAH-DNVCBOLYSA-N 0 0 384.432 3.612 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1ccc(C[S@](C)=O)cc1 ZINC000807560090 885560539 /nfs/dbraw/zinc/56/05/39/885560539.db2.gz LYZNGOHSERTSMS-MHZLTWQESA-N 0 0 388.533 3.783 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000747411634 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O=C(Cn1nc(C(F)F)cc1C(F)F)NCc1c(O)ccc2c1CCCC2 ZINC000934943848 894058930 /nfs/dbraw/zinc/05/89/30/894058930.db2.gz HRAGLRRYKPETFW-UHFFFAOYSA-N 0 0 385.361 3.659 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)c1 ZINC000815647749 894093301 /nfs/dbraw/zinc/09/33/01/894093301.db2.gz TZXAXUXSLKPEKS-KBPBESRZSA-N 0 0 383.423 3.915 20 10 GHCDRN C[C@H](NCc1ncccc1Br)c1ccc(N2CCOCC2)cc1 ZINC000878358448 894222862 /nfs/dbraw/zinc/22/28/62/894222862.db2.gz PFINPINRXPMJNA-AWEZNQCLSA-N 0 0 376.298 3.532 20 10 GHCDRN CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c1O ZINC000748051338 894607160 /nfs/dbraw/zinc/60/71/60/894607160.db2.gz QRVXKTNEYOMSQL-LJQANCHMSA-N 0 0 399.466 3.910 20 10 GHCDRN CN(C)c1ccc(CNC(=O)[C@H]2CC[C@H](C3CC3)N2C(=O)OC(C)(C)C)cc1 ZINC001135642926 894970581 /nfs/dbraw/zinc/97/05/81/894970581.db2.gz NDFPNTFEIFXOQQ-RTBURBONSA-N 0 0 387.524 3.547 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1snc(Cl)c1Cl ZINC000816825358 895116303 /nfs/dbraw/zinc/11/63/03/895116303.db2.gz ATGARUZXEMWKIN-UHFFFAOYSA-N 0 0 386.304 3.559 20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)c3cnc4ccccc4c3)cc2F)C[C@H](C)O1 ZINC000816891027 895166537 /nfs/dbraw/zinc/16/65/37/895166537.db2.gz GPKVUWMNVWCTCN-HOTGVXAUSA-N 0 0 393.462 3.918 20 10 GHCDRN CC[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1nc2ccccc2[nH]1 ZINC000127921649 895223013 /nfs/dbraw/zinc/22/30/13/895223013.db2.gz GOCQRKOGYCVKNI-GOSISDBHSA-N 0 0 375.476 3.890 20 10 GHCDRN Cc1nc(C(=O)NCc2c(O)ccc3c2CCCC3)c(Br)s1 ZINC000816939092 895225210 /nfs/dbraw/zinc/22/52/10/895225210.db2.gz SXQOZSSGSQLINA-UHFFFAOYSA-N 0 0 381.295 3.728 20 10 GHCDRN COc1cccc(-c2nc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)no2)c1 ZINC000760344566 895234150 /nfs/dbraw/zinc/23/41/50/895234150.db2.gz SNXYPFSFTNGGNU-UHFFFAOYSA-N 0 0 392.459 3.616 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1cc2ccccc2n(C)c1=O ZINC000816982172 895238614 /nfs/dbraw/zinc/23/86/14/895238614.db2.gz RTSUUPXJEWIHMR-UHFFFAOYSA-N 0 0 391.496 3.938 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000127955497 895239512 /nfs/dbraw/zinc/23/95/12/895239512.db2.gz ZTFGWDTXIXXJBD-HXUWFJFHSA-N 0 0 379.479 3.976 20 10 GHCDRN C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H](c2ccccc2)O1 ZINC000127999245 895276938 /nfs/dbraw/zinc/27/69/38/895276938.db2.gz NEAVWMMQPDDXQU-PGRDOPGGSA-N 0 0 377.488 3.734 20 10 GHCDRN Cc1cc(CNC(=O)C(F)(F)F)cc(NC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000879814938 895313939 /nfs/dbraw/zinc/31/39/39/895313939.db2.gz XTJPCCUSENVTKT-LBPRGKRZSA-N 0 0 395.381 3.762 20 10 GHCDRN CC[C@@H]1C[C@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1 ZINC000817175288 895368972 /nfs/dbraw/zinc/36/89/72/895368972.db2.gz OQDGYSPNWGUCMY-NVXWUHKLSA-N 0 0 397.466 3.514 20 10 GHCDRN CCC1(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCCC1 ZINC000128062012 895379066 /nfs/dbraw/zinc/37/90/66/895379066.db2.gz NASKPYLFRGSTAB-UHFFFAOYSA-N 0 0 377.504 3.556 20 10 GHCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]CCCC1(O)CCC1 ZINC000817413890 895590832 /nfs/dbraw/zinc/59/08/32/895590832.db2.gz CYHSAAHRKWCYJE-UHFFFAOYSA-N 0 0 393.119 3.702 20 10 GHCDRN C[C@H](NC(=O)N(C)C1CC(OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1 ZINC000817775348 895870577 /nfs/dbraw/zinc/87/05/77/895870577.db2.gz SYODWFPVTLOUTH-DZIBYMRMSA-N 0 0 389.540 3.572 20 10 GHCDRN CC(C)N(C(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 ZINC000302834380 914025407 /nfs/dbraw/zinc/02/54/07/914025407.db2.gz UBHHMIIZKCVABW-NRFANRHFSA-N 0 0 382.504 3.815 20 10 GHCDRN C[C@@H](F)CCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000818298622 896107497 /nfs/dbraw/zinc/10/74/97/896107497.db2.gz XPTRWCKCHNCZOK-COVOJHCQSA-N 0 0 386.539 3.594 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cccc2c1N(C)C(=O)CO2 ZINC000881266748 896271335 /nfs/dbraw/zinc/27/13/35/896271335.db2.gz MSYRFRNLWWRPHL-UHFFFAOYSA-N 0 0 396.491 3.550 20 10 GHCDRN COC1CCN(c2ccc(Cn3cc(COc4ccccc4F)nn3)cc2)CC1 ZINC000881379482 896315502 /nfs/dbraw/zinc/31/55/02/896315502.db2.gz SCPUYWDAWCCHNZ-UHFFFAOYSA-N 0 0 396.466 3.660 20 10 GHCDRN C[C@H](Cc1ccc(C(F)(F)F)cc1)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819163792 896436393 /nfs/dbraw/zinc/43/63/93/896436393.db2.gz APRULMGSFQUKEL-CYBMUJFWSA-N 0 0 392.377 3.806 20 10 GHCDRN C[C@H](c1ccc(OC(F)F)cc1)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819165189 896439726 /nfs/dbraw/zinc/43/97/26/896439726.db2.gz PONPKPWXFARWSH-GFCCVEGCSA-N 0 0 376.359 3.519 20 10 GHCDRN C[C@@H](c1ccccc1C(F)(F)F)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819165612 896439826 /nfs/dbraw/zinc/43/98/26/896439826.db2.gz YBVKQMBKYOSFNF-LBPRGKRZSA-N 0 0 378.350 3.936 20 10 GHCDRN COc1cccc(C2(CN3C(=O)CN(Cc4ccccc4O)C3=O)CCCC2)c1 ZINC000819168699 896442881 /nfs/dbraw/zinc/44/28/81/896442881.db2.gz UYNVCYCCQDGLOV-UHFFFAOYSA-N 0 0 394.471 3.677 20 10 GHCDRN O=C1CN(Cc2ccccc2O)C(=O)N1[C@H]1CCCOc2cc(Cl)ccc21 ZINC000819171520 896444377 /nfs/dbraw/zinc/44/43/77/896444377.db2.gz YQGXNUPSWMFSFS-INIZCTEOSA-N 0 0 386.835 3.724 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)Cc3nsc4ccccc34)CC2)cc1 ZINC000819218613 896511865 /nfs/dbraw/zinc/51/18/65/896511865.db2.gz IFXQJVNWERPYSS-UHFFFAOYSA-N 0 0 381.501 3.633 20 10 GHCDRN CC(=O)Nc1cccc(CC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000819257471 896547024 /nfs/dbraw/zinc/54/70/24/896547024.db2.gz WPHXWSRZUDOXOA-UHFFFAOYSA-N 0 0 379.504 3.740 20 10 GHCDRN Cc1oc(Br)cc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000819420456 896717917 /nfs/dbraw/zinc/71/79/17/896717917.db2.gz XWXMMSXCSSIWHZ-CQSZACIVSA-N 0 0 394.265 3.878 20 10 GHCDRN CCCc1c(C(=O)N(CC)Cc2ccc(N(C)C)cc2)[nH]c(C)c1C(=O)OC ZINC000302943297 914100291 /nfs/dbraw/zinc/10/02/91/914100291.db2.gz LSFBZEYHBMHFAB-UHFFFAOYSA-N 0 0 385.508 3.791 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cccc(OC(F)F)c3)C2)cc1 ZINC000819578341 896819750 /nfs/dbraw/zinc/81/97/50/896819750.db2.gz HKJFXIAIYDJVDM-CQSZACIVSA-N 0 0 376.403 3.553 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)CCC(=O)c3ccc(C)cc3)C2)cc1 ZINC000819580170 896822722 /nfs/dbraw/zinc/82/27/22/896822722.db2.gz GLTVIYAZNFQTLY-SFHVURJKSA-N 0 0 380.488 3.609 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@@]3(C)CCCc4ccccc43)C2)cc1 ZINC000819581883 896826447 /nfs/dbraw/zinc/82/64/47/896826447.db2.gz FJKJJDQETLKJPT-UUOWRZLLSA-N 0 0 378.516 3.932 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cccn3Cc3ccccc3)C2)cc1 ZINC000819581878 896826775 /nfs/dbraw/zinc/82/67/75/896826775.db2.gz BKRKEHGUNCSBKX-FQEVSTJZSA-N 0 0 389.499 3.801 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cc(Br)cs3)C2)cc1 ZINC000819583391 896827806 /nfs/dbraw/zinc/82/78/06/896827806.db2.gz WBYBBEQFMNMNQK-LBPRGKRZSA-N 0 0 395.322 3.776 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)Cc3c[nH]c4cc(C)ccc34)C2)cc1 ZINC000819583001 896828950 /nfs/dbraw/zinc/82/89/50/896828950.db2.gz RZKUPKCRNKFNLO-QGZVFWFLSA-N 0 0 377.488 3.670 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cc(-c4cccs4)on3)C2)cc1 ZINC000819583158 896829195 /nfs/dbraw/zinc/82/91/95/896829195.db2.gz PZPRZOMLMCIXHN-AWEZNQCLSA-N 0 0 383.473 3.668 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@H]3SCCc4sccc43)C2)cc1 ZINC000819585515 896832747 /nfs/dbraw/zinc/83/27/47/896832747.db2.gz YBPXXLCOVZLHHX-KUHUBIRLSA-N 0 0 388.558 3.730 20 10 GHCDRN CC[C@@H](C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccc(OC)cc1 ZINC000819586278 896835545 /nfs/dbraw/zinc/83/55/45/896835545.db2.gz MAJGZUOMBAZUDQ-VGOFRKELSA-N 0 0 382.504 3.840 20 10 GHCDRN CC[C@@H](C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccc(OC)cc1 ZINC000819586276 896835741 /nfs/dbraw/zinc/83/57/41/896835741.db2.gz MAJGZUOMBAZUDQ-HTAPYJJXSA-N 0 0 382.504 3.840 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)/C(C)=C/c3ccc(OC)c(F)c3)C2)cc1 ZINC000819586628 896836589 /nfs/dbraw/zinc/83/65/89/896836589.db2.gz ANMQCSRVPSYLBQ-QIPRVMPFSA-N 0 0 398.478 3.889 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)C[C@H]3CSc4ccccc4O3)C2)cc1 ZINC000819587927 896837836 /nfs/dbraw/zinc/83/78/36/896837836.db2.gz QWWDQZKTYBQQLI-APWZRJJASA-N 0 0 398.528 3.581 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3c(OC)cnc4ccccc43)C2)cc1 ZINC000819591500 896840518 /nfs/dbraw/zinc/84/05/18/896840518.db2.gz SQSZJEYDOICPQQ-MRXNPFEDSA-N 0 0 391.471 3.508 20 10 GHCDRN C/C=C/COc1cccc(CC(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000819591686 896841497 /nfs/dbraw/zinc/84/14/97/896841497.db2.gz VHOHICZGSQJYKO-YADGQWAMSA-N 0 0 394.515 3.835 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)C1CCC(C(F)(F)F)CC1 ZINC000819699206 896912649 /nfs/dbraw/zinc/91/26/49/896912649.db2.gz ZOAZSXHTLLQBGS-UHFFFAOYSA-N 0 0 387.398 3.653 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)NC[C@@H]3COc4ccccc4O3)c2C)cc1 ZINC000025465579 896914837 /nfs/dbraw/zinc/91/48/37/896914837.db2.gz UXKUGRWURQGZDC-LJQANCHMSA-N 0 0 392.455 3.673 20 10 GHCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc3nc[nH]c3cc2F)cc1 ZINC000819840800 897015082 /nfs/dbraw/zinc/01/50/82/897015082.db2.gz YVNMJLUNJKMFHB-QGZVFWFLSA-N 0 0 396.466 3.589 20 10 GHCDRN COC(=O)c1conc1C(C)(C)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000819880635 897026117 /nfs/dbraw/zinc/02/61/17/897026117.db2.gz YWOPEDQBGYTVTJ-UHFFFAOYSA-N 0 0 395.459 3.842 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNS(=O)(=O)c3cccc4ccccc43)C2)cc1 ZINC000819888344 897031873 /nfs/dbraw/zinc/03/18/73/897031873.db2.gz VDXWGCLENUDKSR-KRWDZBQOSA-N 0 0 396.512 3.653 20 10 GHCDRN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1nc(-c2ccccc2)no1 ZINC000130284861 897049168 /nfs/dbraw/zinc/04/91/68/897049168.db2.gz LDJABVFAUKRVET-DLBZAZTESA-N 0 0 378.476 3.985 20 10 GHCDRN Cc1cc(C(=O)N(CCO)Cc2cccnc2)c(C)n1-c1cccc(Cl)c1 ZINC000130438359 897085707 /nfs/dbraw/zinc/08/57/07/897085707.db2.gz RSIZVDSSGKRUGC-UHFFFAOYSA-N 0 0 383.879 3.777 20 10 GHCDRN COCCOc1cccc(C[NH2+]Cc2cc(Br)cc(F)c2[O-])c1 ZINC000882898440 897087950 /nfs/dbraw/zinc/08/79/50/897087950.db2.gz KHRHGXVNBACUJH-UHFFFAOYSA-N 0 0 384.245 3.609 20 10 GHCDRN CC(C)(C)NS(=O)(=O)Cc1cccc(NCc2cc(F)cc(F)c2O)c1 ZINC000883057200 897239537 /nfs/dbraw/zinc/23/95/37/897239537.db2.gz HQGKPVNPJFSEKD-UHFFFAOYSA-N 0 0 384.448 3.500 20 10 GHCDRN Cc1cc(C(=O)Nc2c(C)[nH][nH]c2=O)c(C)n1-c1cccc(Br)c1 ZINC000820402544 897307477 /nfs/dbraw/zinc/30/74/77/897307477.db2.gz LVTSMPVRFBCJTM-UHFFFAOYSA-N 0 0 389.253 3.846 20 10 GHCDRN [O-]c1c(F)cc(Br)cc1C[NH2+][C@H]1CCO[C@H](c2ccncc2)C1 ZINC000883136198 897313481 /nfs/dbraw/zinc/31/34/81/897313481.db2.gz XBZZJIGLRLKWID-HOCLYGCPSA-N 0 0 381.245 3.699 20 10 GHCDRN Cc1cc(C(=O)N2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c(C)n1-c1ccccn1 ZINC000820537311 897375503 /nfs/dbraw/zinc/37/55/03/897375503.db2.gz RGFZRNOSTQTXKU-BGYRXZFFSA-N 0 0 386.499 3.698 20 10 GHCDRN Cc1cc(C(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000131423089 897456579 /nfs/dbraw/zinc/45/65/79/897456579.db2.gz CXZIZVAVQGIFPE-DENIHFKCSA-N 0 0 393.531 3.842 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)NCc2cc(Br)ccc2F)cc1 ZINC000042328020 897464285 /nfs/dbraw/zinc/46/42/85/897464285.db2.gz OYZAPUCQIMLEIT-UHFFFAOYSA-N 0 0 394.288 3.996 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2c(F)cccc2N2CCCC2)c1 ZINC000805754751 897526589 /nfs/dbraw/zinc/52/65/89/897526589.db2.gz BEGKWHBDVQCOGN-AWEZNQCLSA-N 0 0 387.455 3.701 20 10 GHCDRN CN(C)c1ccc(CN(C)S(=O)(=O)c2csnc2-c2ccccc2)cc1 ZINC000820780051 897546930 /nfs/dbraw/zinc/54/69/30/897546930.db2.gz OEFWIPOFZJWNCU-UHFFFAOYSA-N 0 0 387.530 3.697 20 10 GHCDRN COc1ccc(N(C)CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c(OC)c1 ZINC000131685972 897552458 /nfs/dbraw/zinc/55/24/58/897552458.db2.gz VIXVZPFVPNLKFW-UHFFFAOYSA-N 0 0 394.475 3.581 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000131997731 897627862 /nfs/dbraw/zinc/62/78/62/897627862.db2.gz ARXAZTCGIBQYGO-MRXNPFEDSA-N 0 0 376.497 3.778 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001136428590 897803349 /nfs/dbraw/zinc/80/33/49/897803349.db2.gz FEDITRKOOPSMMP-UHFFFAOYSA-N 0 0 389.540 3.891 20 10 GHCDRN CC[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806149604 897808048 /nfs/dbraw/zinc/80/80/48/897808048.db2.gz GLJPDICZHPWNKD-HNNXBMFYSA-N 0 0 380.337 3.955 20 10 GHCDRN Cc1cc(C(=O)NCCc2nnc3n2CCCCC3)c(C)n1-c1ccccc1C ZINC000042765962 897843365 /nfs/dbraw/zinc/84/33/65/897843365.db2.gz VBBJZUFFYIZYTL-UHFFFAOYSA-N 0 0 391.519 3.693 20 10 GHCDRN CN1CCCc2cc(CNC(=O)c3cc(-c4c(F)cccc4F)no3)ccc21 ZINC001136436976 897847149 /nfs/dbraw/zinc/84/71/49/897847149.db2.gz ROKUAPNAEVTRJP-UHFFFAOYSA-N 0 0 383.398 3.932 20 10 GHCDRN CCOCCC1(C(=O)NCc2ccc(N3CCSCC3)cc2)CCCC1 ZINC000132744518 897892106 /nfs/dbraw/zinc/89/21/06/897892106.db2.gz ZMNKVSTUBWHPPK-UHFFFAOYSA-N 0 0 376.566 3.843 20 10 GHCDRN COc1ccc(Br)c(CC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000132753955 897894759 /nfs/dbraw/zinc/89/47/59/897894759.db2.gz CDIHHRARIBTBFA-NSHDSACASA-N 0 0 394.265 3.592 20 10 GHCDRN Cc1c([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)cnn1-c1ccc(F)cc1 ZINC001136486319 898033544 /nfs/dbraw/zinc/03/35/44/898033544.db2.gz FJUSFWWIYNSHGH-LBPRGKRZSA-N 0 0 394.410 3.973 20 10 GHCDRN Nc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1OC(F)(F)F ZINC000821843344 898091605 /nfs/dbraw/zinc/09/16/05/898091605.db2.gz QVGJTQBEJSOPJR-UHFFFAOYSA-N 0 0 379.382 3.698 20 10 GHCDRN C[C@H](NC(=O)CCC(=O)Nc1c(F)cccc1F)c1ccc(N(C)C)cc1 ZINC000822083729 898217573 /nfs/dbraw/zinc/21/75/73/898217573.db2.gz XTQZGKJLMOAKRX-ZDUSSCGKSA-N 0 0 375.419 3.627 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000822519068 898407811 /nfs/dbraw/zinc/40/78/11/898407811.db2.gz WPFSVGVMBUISPA-IAOVAPTHSA-N 0 0 382.426 3.594 20 10 GHCDRN COC(=O)c1cnc([C@H](C)NCc2ccc(N(C)C)cc2C(F)(F)F)s1 ZINC000822497378 898429587 /nfs/dbraw/zinc/42/95/87/898429587.db2.gz BCOLUYOXZPHZLJ-JTQLQIEISA-N 0 0 387.427 3.865 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(F)cc1C(F)(F)F ZINC000133454606 898436023 /nfs/dbraw/zinc/43/60/23/898436023.db2.gz PREHLDKUSOAEBL-UHFFFAOYSA-N 0 0 396.384 3.953 20 10 GHCDRN CCOC(=O)CN(Cc1cc(Cl)c(O)c(OCC)c1)Cc1ccccc1O ZINC000822511962 898444179 /nfs/dbraw/zinc/44/41/79/898444179.db2.gz PKGCHCUCWSCBSU-UHFFFAOYSA-N 0 0 393.867 3.715 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000822612643 898501415 /nfs/dbraw/zinc/50/14/15/898501415.db2.gz CYNZRBVTOTWDJZ-UXHICEINSA-N 0 0 382.479 3.862 20 10 GHCDRN CC(C)c1ncsc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000822613832 898502695 /nfs/dbraw/zinc/50/26/95/898502695.db2.gz NDCNFNWHZDWMHO-OKILXGFUSA-N 0 0 391.512 3.949 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H](C1CCCC1)C(F)(F)F ZINC000822598931 898520673 /nfs/dbraw/zinc/52/06/73/898520673.db2.gz UPCRFVAQMHIBSW-GOSISDBHSA-N 0 0 399.457 3.568 20 10 GHCDRN CCOCCO[C@@H](C)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800048343 898535062 /nfs/dbraw/zinc/53/50/62/898535062.db2.gz YWENSVZKMMZPTC-HOTGVXAUSA-N 0 0 382.932 3.634 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(F)(F)c1ccccc1NC(C)=O ZINC000822808730 898646204 /nfs/dbraw/zinc/64/62/04/898646204.db2.gz IKFHEATWXRJVSD-UHFFFAOYSA-N 0 0 389.446 3.852 20 10 GHCDRN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCc1ccc(N2CCCCC2)cc1 ZINC000822818948 898652569 /nfs/dbraw/zinc/65/25/69/898652569.db2.gz LKKGRXQOGDSFDJ-UHFFFAOYSA-N 0 0 395.459 3.864 20 10 GHCDRN CN(C(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC000822821286 898654204 /nfs/dbraw/zinc/65/42/04/898654204.db2.gz SSULWCGVTZTKMP-CYBMUJFWSA-N 0 0 388.443 3.550 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)NCc3c(F)cccc3Cl)C2)cc1 ZINC000822870017 898701701 /nfs/dbraw/zinc/70/17/01/898701701.db2.gz PWBXMIHXEZIGEC-AWEZNQCLSA-N 0 0 391.874 3.813 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H]3CCCOc4ccccc43)C2)cc1 ZINC000822896360 898735066 /nfs/dbraw/zinc/73/50/66/898735066.db2.gz IGXASOYDDUYQQP-LAUBAEHRSA-N 0 0 395.503 3.735 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3COc4c3ccc(C)c4C)C2)cc1 ZINC000822942354 898741182 /nfs/dbraw/zinc/74/11/82/898741182.db2.gz VSOZJIZNFHFPAJ-DYESRHJHSA-N 0 0 395.503 3.571 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@H](c3nncn3C(C)C)C2)c(C)n1-c1ccccn1 ZINC000110771268 898756170 /nfs/dbraw/zinc/75/61/70/898756170.db2.gz UJMFHPPKESTIOZ-SFHVURJKSA-N 0 0 392.507 3.681 20 10 GHCDRN Cc1ncccc1/C=C\C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000823004410 898792240 /nfs/dbraw/zinc/79/22/40/898792240.db2.gz RLALWUUCMBZQDV-WTKPLQERSA-N 0 0 387.430 3.790 20 10 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/nfs/dbraw/zinc/31/85/49/914318549.db2.gz KYWCASLLHSKXGO-NSHDSACASA-N 0 0 395.253 3.792 20 10 GHCDRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823552495 899106788 /nfs/dbraw/zinc/10/67/88/899106788.db2.gz AJXMUTNUMXNINZ-ZPMCFJSWSA-N 0 0 387.568 3.908 20 10 GHCDRN CC(C)N(Cc1ccccc1F)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823553425 899108692 /nfs/dbraw/zinc/10/86/92/899108692.db2.gz LHRFGEBJSIHEQZ-UHFFFAOYSA-N 0 0 399.510 3.907 20 10 GHCDRN CN(C(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCCc2ccccc21 ZINC000823559197 899113048 /nfs/dbraw/zinc/11/30/48/899113048.db2.gz FSVXUUYGVJLWJG-HSZRJFAPSA-N 0 0 393.531 3.867 20 10 GHCDRN COc1ccc([C@H](C)N(C)C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000823559216 899113323 /nfs/dbraw/zinc/11/33/23/899113323.db2.gz GOMARQHWPJRCRI-KRWDZBQOSA-N 0 0 397.519 3.559 20 10 GHCDRN COc1c([O-])c(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)ccc1[N+](=O)[O-] ZINC000774976494 914318798 /nfs/dbraw/zinc/31/87/98/914318798.db2.gz KGQCVTYSFKIRSH-UHFFFAOYSA-N 0 0 399.378 3.925 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GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccccc1N1CCOCC1 ZINC000824233920 899470764 /nfs/dbraw/zinc/47/07/64/899470764.db2.gz AGIOCTJWFWRKMK-UHFFFAOYSA-N 0 0 395.547 3.571 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Nc2ccn(C)n2)cc1 ZINC000824234740 899470950 /nfs/dbraw/zinc/47/09/50/899470950.db2.gz QYGRSTVKWSPKMM-UHFFFAOYSA-N 0 0 377.492 3.892 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)Nc3cc(C(F)(F)F)ccn3)C2)cc1 ZINC000824278190 899481035 /nfs/dbraw/zinc/48/10/35/899481035.db2.gz BFVHZOPIVHBHSS-CYBMUJFWSA-N 0 0 394.397 3.757 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)C2)cc1 ZINC000824283882 899485262 /nfs/dbraw/zinc/48/52/62/899485262.db2.gz FSRZBQFNXATHAS-INIZCTEOSA-N 0 0 398.463 3.868 20 10 GHCDRN Cc1cc(CC(=O)NC2CCN(CC(F)(F)F)CC2)c(C)n1-c1ccccc1 ZINC000824257023 899498282 /nfs/dbraw/zinc/49/82/82/899498282.db2.gz QBENMIJVUKPGIZ-UHFFFAOYSA-N 0 0 393.453 3.780 20 10 GHCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(F)cc(N2CCOCC2)c1 ZINC000824261990 899500763 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GHCDRN CN(Cc1ccccc1O)C(=O)NC[C@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC000845522124 902228165 /nfs/dbraw/zinc/22/81/65/902228165.db2.gz JWWQUYCMEAWWNB-QHCPKHFHSA-N 0 0 398.503 3.833 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H]3[C@H]3CCCOC3)ccc21 ZINC000576825669 902285924 /nfs/dbraw/zinc/28/59/24/902285924.db2.gz JBMMCVQJMGQDNS-FPOVZHCZSA-N 0 0 384.520 3.936 20 10 GHCDRN COc1c([O-])c(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)ccc1[N+](=O)[O-] ZINC000775028601 914616371 /nfs/dbraw/zinc/61/63/71/914616371.db2.gz FIRMJMXKNYQHIS-UHFFFAOYSA-N 0 0 388.754 3.854 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)[C@H](C)c1cc(F)ccc1F ZINC000576974209 902397341 /nfs/dbraw/zinc/39/73/41/902397341.db2.gz ROVBATTWUYEVMR-CQSZACIVSA-N 0 0 399.441 3.601 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(SC)c2)cc1 ZINC000845823505 902429567 /nfs/dbraw/zinc/42/95/67/902429567.db2.gz IVJDGSUVANDVOA-UHFFFAOYSA-N 0 0 385.533 3.818 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000127984298 902588938 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GHCDRN COc1cccc(CNC(=O)Nc2cccc(COCCOC(C)C)c2)c1O ZINC000264194331 902909163 /nfs/dbraw/zinc/90/91/63/902909163.db2.gz CQLLABJJQXSWMF-UHFFFAOYSA-N 0 0 388.464 3.664 20 10 GHCDRN COc1ccc(CC(=O)n2c(=N)ccc(/N=N/c3ccccc3)c2N)cc1O ZINC001144786387 902909498 /nfs/dbraw/zinc/90/94/98/902909498.db2.gz MSUDUBJZXNOETQ-JNVQNEIGSA-N 0 0 377.404 3.562 20 10 GHCDRN Cc1nc(SC(F)F)sc1CC(=O)NCc1cc(Cl)ccc1O ZINC000846473632 903002545 /nfs/dbraw/zinc/00/25/45/903002545.db2.gz NNFDFRBHNBSRDB-UHFFFAOYSA-N 0 0 378.853 3.984 20 10 GHCDRN Cc1cccc2c(CC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c[nH]c21 ZINC000130971401 903044143 /nfs/dbraw/zinc/04/41/43/903044143.db2.gz VSDSHWTXPFYHOG-UHFFFAOYSA-N 0 0 377.488 3.514 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NCC[C@@]2(O)CCCOC2)cc1 ZINC000846596556 903078620 /nfs/dbraw/zinc/07/86/20/903078620.db2.gz NAAAEZSVZIMHLL-QFIPXVFZSA-N 0 0 396.491 3.829 20 10 GHCDRN CC(=O)Nc1ccc(S[C@@H](C)C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000048241430 903183205 /nfs/dbraw/zinc/18/32/05/903183205.db2.gz 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O=C(c1ccccc1)c1ccc(O)c(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1[O-] ZINC000773256365 904619621 /nfs/dbraw/zinc/61/96/21/904619621.db2.gz BWWKFVHFOAABRW-ROUUACIJSA-N 0 0 395.499 3.967 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccc(C(F)(F)F)c(C)c1 ZINC001186818932 914831951 /nfs/dbraw/zinc/83/19/51/914831951.db2.gz LLCUKZOQDBRVKJ-UHFFFAOYSA-N 0 0 386.439 3.867 20 10 GHCDRN C[C@@H](NC(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(N(C)C)cc1 ZINC000773282308 904678871 /nfs/dbraw/zinc/67/88/71/904678871.db2.gz LDTZIESRUSDXPL-PBHICJAKSA-N 0 0 388.462 3.670 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@H](C3N=NC(=O)O3)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000773316115 904703783 /nfs/dbraw/zinc/70/37/83/904703783.db2.gz SOJUTNTVSSPQNK-KRWDZBQOSA-N 0 0 394.475 3.819 20 10 GHCDRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000779160563 904908325 /nfs/dbraw/zinc/90/83/25/904908325.db2.gz FOLWTXYYDRRRCE-NWDGAFQWSA-N 0 0 399.875 3.689 20 10 GHCDRN COc1ccc(N2CCCN(Cc3nc(-c4ccccc4F)no3)CC2)cc1 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CN(c1ccc(C(F)(F)F)c(Cl)c1)S(=O)(=O)Cc1ccc(N)cc1 ZINC001175261184 907473950 /nfs/dbraw/zinc/47/39/50/907473950.db2.gz LVEWAPIAEZIFBP-UHFFFAOYSA-N 0 0 378.803 3.907 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCc2sc(Br)cc2C1 ZINC000779535738 907490682 /nfs/dbraw/zinc/49/06/82/907490682.db2.gz FCLMRBCBDHKABK-RQOWECAXSA-N 0 0 380.263 3.520 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(OCCC(=O)NC)cc1 ZINC000801627647 921332307 /nfs/dbraw/zinc/33/23/07/921332307.db2.gz VRVSATZQXKWEGB-UHFFFAOYSA-N 0 0 399.491 3.741 20 10 GHCDRN NC(=O)Cc1cccc(C(=O)c2ccccc2)c1Nc1ccc2nccnc2c1 ZINC001175494074 907574034 /nfs/dbraw/zinc/57/40/34/907574034.db2.gz GBXUUQXUXBVSGL-UHFFFAOYSA-N 0 0 382.423 3.632 20 10 GHCDRN CS[C@@H](C(N)=O)c1cccc(C(=O)c2ccccc2)c1Nc1ccc(=O)[nH]c1 ZINC001176131785 907926112 /nfs/dbraw/zinc/92/61/12/907926112.db2.gz BIVZIUZCYDMPLC-HXUWFJFHSA-N 0 0 393.468 3.651 20 10 GHCDRN CCN(Cc1ccccc1)c1ccc(CN2CCOC[C@@H]2c2ncon2)cc1 ZINC000779623931 907951101 /nfs/dbraw/zinc/95/11/01/907951101.db2.gz XNJCWUAWJSJTCA-OAQYLSRUSA-N 0 0 378.476 3.670 20 10 GHCDRN COCOc1ccc(Nc2cccc3c2C(=O)c2cccc(N)c2C3=O)cc1F ZINC001176191041 907967593 /nfs/dbraw/zinc/96/75/93/907967593.db2.gz RFKPDJHAWUXTBV-UHFFFAOYSA-N 0 0 392.386 3.910 20 10 GHCDRN CCc1ccc(CCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000079606348 908004048 /nfs/dbraw/zinc/00/40/48/908004048.db2.gz RKKDWTICAPZGNJ-UHFFFAOYSA-N 0 0 380.532 3.707 20 10 GHCDRN CCOc1ccc2c(c1)[C@H](NC(=O)N[C@H](C)c1cc(OC)ccc1O)CCO2 ZINC000773558964 908006783 /nfs/dbraw/zinc/00/67/83/908006783.db2.gz KHMLYBCMZAVCLE-FZKQIMNGSA-N 0 0 386.448 3.684 20 10 GHCDRN CCOc1ccc2c(c1)[C@@H](NC(=O)N[C@H](C)c1cc(OC)ccc1O)CCO2 ZINC000773558963 908006842 /nfs/dbraw/zinc/00/68/42/908006842.db2.gz KHMLYBCMZAVCLE-ACJLOTCBSA-N 0 0 386.448 3.684 20 10 GHCDRN Cc1coc2ccc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)cc12 ZINC000187369650 908082062 /nfs/dbraw/zinc/08/20/62/908082062.db2.gz PYKKGVNHEMDEOD-UHFFFAOYSA-N 0 0 377.444 3.596 20 10 GHCDRN CS[C@H](C(N)=O)c1cccc(C(=O)c2ccccc2)c1Nc1cnc(C)nc1 ZINC001176396187 908094765 /nfs/dbraw/zinc/09/47/65/908094765.db2.gz LVSYVOZFUSKZRZ-FQEVSTJZSA-N 0 0 392.484 3.649 20 10 GHCDRN O=C(c1ccccc1)c1cc(Br)ccc1Nc1cnn(CCO)c1 ZINC001176477422 908127030 /nfs/dbraw/zinc/12/70/30/908127030.db2.gz XYETWEHPMMSHKS-UHFFFAOYSA-N 0 0 386.249 3.613 20 10 GHCDRN Cc1nc(CN2CCC(C[NH2+][C@H](C)c3ccc(F)c(F)c3[O-])CC2)oc1C ZINC000187715826 908130374 /nfs/dbraw/zinc/13/03/74/908130374.db2.gz RJSAVNZZKUCJNX-CYBMUJFWSA-N 0 0 379.451 3.838 20 10 GHCDRN Cc1nc(CN2CCC(C[NH2+][C@@H](C)c3ccc(F)c(F)c3[O-])CC2)oc1C ZINC000187715805 908130661 /nfs/dbraw/zinc/13/06/61/908130661.db2.gz RJSAVNZZKUCJNX-ZDUSSCGKSA-N 0 0 379.451 3.838 20 10 GHCDRN CC(C)CCN(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1 ZINC000080049017 908224094 /nfs/dbraw/zinc/22/40/94/908224094.db2.gz IIGMGHDSZQUMPH-UHFFFAOYSA-N 0 0 377.504 3.507 20 10 GHCDRN CCCOc1nc2ccccc2cc1/C=C/C(=O)NCc1cc(O)ccc1O ZINC001176748086 908237361 /nfs/dbraw/zinc/23/73/61/908237361.db2.gz JBLSEUZWXZSEGJ-JXMROGBWSA-N 0 0 378.428 3.764 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1cc(COC(C)(C)C)on1 ZINC000188991296 908270394 /nfs/dbraw/zinc/27/03/94/908270394.db2.gz HKERDRVYNPUAMP-UHFFFAOYSA-N 0 0 375.469 3.817 20 10 GHCDRN C[C@@H](NC(=O)N(C)Cc1ccc(C(=O)NC2CC2)cc1)c1ccc(N(C)C)cc1 ZINC000773609534 908400262 /nfs/dbraw/zinc/40/02/62/908400262.db2.gz AJHQCAYZWGOPPA-MRXNPFEDSA-N 0 0 394.519 3.547 20 10 GHCDRN C[C@H](NC(=O)NC[C@@H](O)c1ccc2ccccc2c1)c1ccc(N(C)C)cc1 ZINC000773611132 908409851 /nfs/dbraw/zinc/40/98/51/908409851.db2.gz HELDZSKZHLBLTC-KSFYIVLOSA-N 0 0 377.488 4.000 20 10 GHCDRN C[C@H](NC(=O)N1CCN([C@@H](C)c2ccsc2)CC1)c1ccc(N(C)C)cc1 ZINC000773617034 908423186 /nfs/dbraw/zinc/42/31/86/908423186.db2.gz MMOYZDQCDPJELU-IRXDYDNUSA-N 0 0 386.565 3.964 20 10 GHCDRN C[C@H](NC(=O)N1CCN(c2cc(F)ccc2F)CC1)c1ccc(N(C)C)cc1 ZINC000773617025 908423921 /nfs/dbraw/zinc/42/39/21/908423921.db2.gz MKZWQOOVKIASEG-HNNXBMFYSA-N 0 0 388.462 3.624 20 10 GHCDRN O=C(Nc1nc2c(s1)CCCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000193497111 908442600 /nfs/dbraw/zinc/44/26/00/908442600.db2.gz NHMAGOLAERIBDO-HNNXBMFYSA-N 0 0 387.505 3.941 20 10 GHCDRN CCN(C[C@@H]1COc2ccccc2O1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773620082 908447813 /nfs/dbraw/zinc/44/78/13/908447813.db2.gz VJPBQGDJUCPNBQ-QFBILLFUSA-N 0 0 383.492 3.685 20 10 GHCDRN C[C@H](NC(=O)N[C@H](c1nccn1C)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000773621415 908449668 /nfs/dbraw/zinc/44/96/68/908449668.db2.gz YHXVKDBHJXARPS-YWZLYKJASA-N 0 0 395.482 3.775 20 10 GHCDRN COC(=O)[C@]12CCC[C@H]1N(C(=O)Cc1cc(C)n(-c3ccccc3)c1C)CC2 ZINC001177206760 908451186 /nfs/dbraw/zinc/45/11/86/908451186.db2.gz GYOVNUMLMBLEGV-OFNKIYASSA-N 0 0 380.488 3.581 20 10 GHCDRN CC(C)[C@@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C ZINC000773624264 908456895 /nfs/dbraw/zinc/45/68/95/908456895.db2.gz MDWNDCYKFXYWKE-CRAIPNDOSA-N 0 0 392.544 3.662 20 10 GHCDRN Cc1cccc(NC(=O)CN(C)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1C ZINC000773624965 908458055 /nfs/dbraw/zinc/45/80/55/908458055.db2.gz LWZYHYJXELVBFL-QGZVFWFLSA-N 0 0 382.508 3.711 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(-c2ncccn2)s1 ZINC000299540579 921428030 /nfs/dbraw/zinc/42/80/30/921428030.db2.gz NIONTYKKMNVETH-UHFFFAOYSA-N 0 0 381.505 3.717 20 10 GHCDRN Cc1[nH]c(=S)sc1CC(=O)n1c(=N)ccc(N=Nc2ccccc2)c1N ZINC001177597275 908657573 /nfs/dbraw/zinc/65/75/73/908657573.db2.gz OZCQVSKRWINJJR-PXTJVOGYSA-N 0 0 384.490 3.902 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000193778836 908705599 /nfs/dbraw/zinc/70/55/99/908705599.db2.gz WRPULTFMRAXTJW-UHFFFAOYSA-N 0 0 393.409 3.807 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c1 ZINC001177804967 908764580 /nfs/dbraw/zinc/76/45/80/908764580.db2.gz VFXRXFMAWZIBBZ-LLVKDONJSA-N 0 0 378.270 3.805 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000194014741 908838100 /nfs/dbraw/zinc/83/81/00/908838100.db2.gz YRKXTSUXNQIVDX-UHFFFAOYSA-N 0 0 393.409 3.759 20 10 GHCDRN COc1cc(C)c(CN(C)C(=O)NCc2ccc(N3CCCC3)cc2)cc1OC ZINC000194167464 908862559 /nfs/dbraw/zinc/86/25/59/908862559.db2.gz LBSWVBVFGNPVJF-UHFFFAOYSA-N 0 0 397.519 3.954 20 10 GHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1coc(C2CCC2)n1 ZINC000194518316 908889181 /nfs/dbraw/zinc/88/91/81/908889181.db2.gz DJXSKVVJGDQCFB-CQSZACIVSA-N 0 0 391.418 3.942 20 10 GHCDRN CC[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)N1CCO[C@H](CC)C1 ZINC000773726012 908937289 /nfs/dbraw/zinc/93/72/89/908937289.db2.gz LUSBACNBKMIDEK-YADHBBJMSA-N 0 0 387.568 3.525 20 10 GHCDRN CN(C)c1ccc(/N=N/c2ccccc2C(=O)N2CCOC[C@]23CCOC3)cc1 ZINC000194407389 908942769 /nfs/dbraw/zinc/94/27/69/908942769.db2.gz CDWCQQVIIGYPGU-VNRABVQOSA-N 0 0 394.475 3.800 20 10 GHCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CSCC(C)=O)cc1 ZINC000194594398 908956423 /nfs/dbraw/zinc/95/64/23/908956423.db2.gz HGMLOIARIKPKKU-UHFFFAOYSA-N 0 0 386.517 3.617 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2ccc(NC(N)=O)cc2)cc1 ZINC000195057329 908959433 /nfs/dbraw/zinc/95/94/33/908959433.db2.gz VOPQHSBBVWQMAH-HNNXBMFYSA-N 0 0 383.496 3.584 20 10 GHCDRN C[C@@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1cc(Br)cc(F)c1[O-] ZINC000195142456 908972431 /nfs/dbraw/zinc/97/24/31/908972431.db2.gz AVCXWEPFDRMEHK-VHSXEESVSA-N 0 0 391.281 3.858 20 10 GHCDRN COc1cc(C)c(CN(C)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1OC ZINC000195201763 908980620 /nfs/dbraw/zinc/98/06/20/908980620.db2.gz JJVIGDFCCGDSFR-UHFFFAOYSA-N 0 0 389.471 3.559 20 10 GHCDRN COc1ccc(Cl)cc1CN(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000195201158 908980800 /nfs/dbraw/zinc/98/08/00/908980800.db2.gz CCDABNIVYVZOPV-UHFFFAOYSA-N 0 0 379.863 3.895 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3ccc([C@@H]4CCCOC4)cc3)CC2)cc1 ZINC000779855468 909050334 /nfs/dbraw/zinc/05/03/34/909050334.db2.gz SYDFMOOBLFCPGK-OAQYLSRUSA-N 0 0 394.515 3.942 20 10 GHCDRN COc1ccc(C(=O)CC(C)(C)CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000773745090 909075389 /nfs/dbraw/zinc/07/53/89/909075389.db2.gz ZJZBNALGWNOFQW-HNNXBMFYSA-N 0 0 399.487 3.843 20 10 GHCDRN CCn1nc(C)c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C ZINC000266334701 909084471 /nfs/dbraw/zinc/08/44/71/909084471.db2.gz BELDVNXLJYBKIJ-HNNXBMFYSA-N 0 0 392.450 3.520 20 10 GHCDRN Cc1cc(OCCN2CCNC2=O)ccc1NC/C=C\c1ccc(N(C)C)cc1 ZINC001178552505 909116986 /nfs/dbraw/zinc/11/69/86/909116986.db2.gz CRCUAWABPAANAV-PLNGDYQASA-N 0 0 394.519 3.590 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]CCOCC(F)(F)C(F)F ZINC001178634856 909160579 /nfs/dbraw/zinc/16/05/79/909160579.db2.gz WDZUQYTXGHHTIL-UHFFFAOYSA-N 0 0 394.590 3.815 20 10 GHCDRN CO[C@H](C)C(=O)Nc1cccc(NC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000266460365 909176897 /nfs/dbraw/zinc/17/68/97/909176897.db2.gz SGJHPSSITNNEQW-CQSZACIVSA-N 0 0 397.475 3.566 20 10 GHCDRN CC(=O)N(C)c1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000266719578 909273863 /nfs/dbraw/zinc/27/38/63/909273863.db2.gz DPIBPCBLFDOLGS-UHFFFAOYSA-N 0 0 380.492 3.932 20 10 GHCDRN Cc1nnc(-c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc2)o1 ZINC000266861665 909322789 /nfs/dbraw/zinc/32/27/89/909322789.db2.gz UVGJNQNZDIUXRN-UHFFFAOYSA-N 0 0 376.460 3.916 20 10 GHCDRN CCC(=O)N1CCc2ccc(NC(=O)c3cc4cc(O)c(O)cc4s3)cc21 ZINC001178995025 909349538 /nfs/dbraw/zinc/34/95/38/909349538.db2.gz PSAOYZAESMAJNR-UHFFFAOYSA-N 0 0 382.441 3.864 20 10 GHCDRN O=C(OC[C@@H]1CCC[C@@H](O)C1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O ZINC000795232719 909380412 /nfs/dbraw/zinc/38/04/12/909380412.db2.gz JOBRLZNEAZHNIP-CHWSQXEVSA-N 0 0 398.842 3.823 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc(C(=O)N(C)C)ccc1OCC ZINC000267425015 909493604 /nfs/dbraw/zinc/49/36/04/909493604.db2.gz AQKVYCUJYWGOOM-UHFFFAOYSA-N 0 0 399.491 3.937 20 10 GHCDRN O=C(c1ccccc1)c1cc(Cl)ccc1NC[C@@H]1CCCS(=O)(=O)C1 ZINC000795252519 909532586 /nfs/dbraw/zinc/53/25/86/909532586.db2.gz PXQKDIDESWVRND-AWEZNQCLSA-N 0 0 377.893 3.808 20 10 GHCDRN C[C@]1(c2cccc(NCc3c(O)cccc3Br)c2)COC(=O)N1 ZINC001179462750 909538798 /nfs/dbraw/zinc/53/87/98/909538798.db2.gz ALAPPAHSTJCFRM-QGZVFWFLSA-N 0 0 377.238 3.722 20 10 GHCDRN COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(C)cc(Br)c2[O-])cc1 ZINC001179520739 909558225 /nfs/dbraw/zinc/55/82/25/909558225.db2.gz OBSUMWRUAWIPSZ-IBGZPJMESA-N 0 0 394.309 3.555 20 10 GHCDRN C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C[C@H](C)O1 ZINC000245601189 909762395 /nfs/dbraw/zinc/76/23/95/909762395.db2.gz MJRNOKBKVWIYRX-FZKCQIBNSA-N 0 0 397.466 3.512 20 10 GHCDRN COc1cc(CN2CCN(C(=O)C3CCCCC3)CC2)c(O)c(C(C)(C)C)c1 ZINC001180025099 909897570 /nfs/dbraw/zinc/89/75/70/909897570.db2.gz USZWBFYGXGTPEI-UHFFFAOYSA-N 0 0 388.552 3.923 20 10 GHCDRN COc1cccc(CCC(=O)NCc2ccc(N3CCSCC3)cc2)c1F ZINC000795329469 909903324 /nfs/dbraw/zinc/90/33/24/909903324.db2.gz PYWOUWLDQINUNU-UHFFFAOYSA-N 0 0 388.508 3.637 20 10 GHCDRN CN(C)c1ccc(C=CC(=O)Nc2cnc(NC(=O)OC(C)(C)C)cn2)cc1 ZINC001180123086 909971358 /nfs/dbraw/zinc/97/13/58/909971358.db2.gz NGVJGYGYYDMWRU-DHZHZOJOSA-N 0 0 383.452 3.542 20 10 GHCDRN CCCn1ccc2ccc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cc21 ZINC000773849600 910066730 /nfs/dbraw/zinc/06/67/30/910066730.db2.gz WPBQMUHYICILNX-INIZCTEOSA-N 0 0 392.503 3.933 20 10 GHCDRN C[C@H](NC(=O)C(=O)Nc1ccc(OC2CCCC2)cc1)c1ccc(N(C)C)cc1 ZINC000773858425 910146144 /nfs/dbraw/zinc/14/61/44/910146144.db2.gz QEYCZMJFESUSNN-INIZCTEOSA-N 0 0 395.503 3.890 20 10 GHCDRN O=C(NCc1cccc(Cl)c1O)c1ccc(I)cc1 ZINC001180410849 910151776 /nfs/dbraw/zinc/15/17/76/910151776.db2.gz SIEZHGUNSYVOFX-UHFFFAOYSA-N 0 0 387.604 3.580 20 10 GHCDRN C[C@H](NC(=O)C(=O)Nc1ccccc1N1CCCCC1)c1ccc(N(C)C)cc1 ZINC000773856033 910155933 /nfs/dbraw/zinc/15/59/33/910155933.db2.gz IEKBTEUCKMHNEH-KRWDZBQOSA-N 0 0 394.519 3.559 20 10 GHCDRN O=C(CCc1nc2ccccc2[nH]1)NCc1cc(Cl)c2cccnc2c1O ZINC001180592255 910261112 /nfs/dbraw/zinc/26/11/12/910261112.db2.gz YQZZYIHESLEIMK-UHFFFAOYSA-N 0 0 380.835 3.719 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCOC2(CCSCC2)C1 ZINC000269457897 910276010 /nfs/dbraw/zinc/27/60/10/910276010.db2.gz HEGVMWZUICLHOB-KRWDZBQOSA-N 0 0 378.538 3.759 20 10 GHCDRN COc1ccc(CN2CCc3c(Br)ccc(F)c3C2)c(O)c1OC ZINC001180655174 910286243 /nfs/dbraw/zinc/28/62/43/910286243.db2.gz VKAZUTQLVBWDQS-UHFFFAOYSA-N 0 0 396.256 3.869 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@H](c3n[nH]cc3N)C2)c(C)n1-c1cccc(Cl)c1 ZINC001180772579 910355572 /nfs/dbraw/zinc/35/55/72/910355572.db2.gz AGJRGJUNAIYJNL-AWEZNQCLSA-N 0 0 383.883 3.683 20 10 GHCDRN CC[C@@]1(C(=O)N2CCc3cccc(O)c3C2)CCCN(C(=O)OC(C)(C)C)C1 ZINC001180882403 910413917 /nfs/dbraw/zinc/41/39/17/910413917.db2.gz QWZNYPDEXORDRV-JOCHJYFZSA-N 0 0 388.508 3.704 20 10 GHCDRN Cc1cc(C)c(CNC(=O)C2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)c(O)c1 ZINC001181069350 910514424 /nfs/dbraw/zinc/51/44/24/910514424.db2.gz URQSRZCGXQEZEO-UHFFFAOYSA-N 0 0 388.508 3.709 20 10 GHCDRN C[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc([S@@](C)=O)cc1 ZINC000270429297 910560356 /nfs/dbraw/zinc/56/03/56/910560356.db2.gz MBHGAAFLAKKJOV-DEXQXJORSA-N 0 0 399.560 3.925 20 10 GHCDRN COC(=O)c1ccc(C[NH2+]Cc2cccc(Br)c2[O-])cc1Cl ZINC001181464403 910777001 /nfs/dbraw/zinc/77/70/01/910777001.db2.gz LXGWNSQNLLAMOI-UHFFFAOYSA-N 0 0 384.657 3.885 20 10 GHCDRN O=C(CCc1ccc(O)c(O)c1)N[C@]1(c2ccccc2Cl)CCCCC1=O ZINC001182155494 911213645 /nfs/dbraw/zinc/21/36/45/911213645.db2.gz JKPWNIWODKXOOY-NRFANRHFSA-N 0 0 387.863 3.839 20 10 GHCDRN COc1cccc([C@@H](NC(=O)CCc2ccc(O)c(O)c2)c2ccccc2)c1 ZINC001182157025 911214046 /nfs/dbraw/zinc/21/40/46/911214046.db2.gz FEFBKEBLZJKQLV-QHCPKHFHSA-N 0 0 377.440 3.945 20 10 GHCDRN C[C@H](NC(=O)c1ccc(CN2CCCCC2=O)cc1)c1ccc(N(C)C)cc1 ZINC000773995227 911243121 /nfs/dbraw/zinc/24/31/21/911243121.db2.gz SAGWRMXWNKGGKA-KRWDZBQOSA-N 0 0 379.504 3.756 20 10 GHCDRN C[C@@H](NC(=O)c1ccc(CN2CCCCC2=O)cc1)c1ccc(N(C)C)cc1 ZINC000773995232 911243656 /nfs/dbraw/zinc/24/36/56/911243656.db2.gz SAGWRMXWNKGGKA-QGZVFWFLSA-N 0 0 379.504 3.756 20 10 GHCDRN C[C@H](NC(=O)Cn1c2ccccc2nc1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773993867 911243691 /nfs/dbraw/zinc/24/36/91/911243691.db2.gz JTOQCBGDRVBLCM-ZDUSSCGKSA-N 0 0 390.409 3.999 20 10 GHCDRN COC(=O)c1cc(C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)no1 ZINC000774087345 911370174 /nfs/dbraw/zinc/37/01/74/911370174.db2.gz CEUFCCOYYOTELV-AWEZNQCLSA-N 0 0 380.400 3.570 20 10 GHCDRN COC(=O)C[C@]1(NC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)CCOC1 ZINC001296152159 911429337 /nfs/dbraw/zinc/42/93/37/911429337.db2.gz GZAHSFRMKJCIKV-HSZRJFAPSA-N 0 0 398.503 3.670 20 10 GHCDRN Cc1cc(C(=O)N2CCN(Cc3cccnc3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000247817875 911450074 /nfs/dbraw/zinc/45/00/74/911450074.db2.gz DYRYOAJXYSGKSO-UHFFFAOYSA-N 0 0 392.478 3.586 20 10 GHCDRN C[C@@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774198962 911479746 /nfs/dbraw/zinc/47/97/46/911479746.db2.gz QPOVGFSARACAJV-VLIAUNLRSA-N 0 0 395.330 3.987 20 10 GHCDRN Cc1ccc(I)cc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000774206363 911492025 /nfs/dbraw/zinc/49/20/25/911492025.db2.gz BLTFYSINXMLNTP-QPJJXVBHSA-N 0 0 395.196 3.663 20 10 GHCDRN Cc1cc(C(=O)N2CCC(C3N=NC(=O)O3)CC2)c(C)n1-c1ccccc1C ZINC000774272386 911607527 /nfs/dbraw/zinc/60/75/27/911607527.db2.gz KHCWAHFNPRQVOL-UHFFFAOYSA-N 0 0 380.448 3.511 20 10 GHCDRN C[C@@H]1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1C(=O)OC(C)(C)C ZINC001182488625 911838867 /nfs/dbraw/zinc/83/88/67/911838867.db2.gz CWYOPLDLVXBYJU-UTKZUKDTSA-N 0 0 388.552 3.590 20 10 GHCDRN CC(C)Oc1ccc(CNC(=O)c2c(F)ccc(O)c2O)c(C(F)(F)F)c1 ZINC001182560084 911868972 /nfs/dbraw/zinc/86/89/72/911868972.db2.gz QGDLFERIHQPMKP-UHFFFAOYSA-N 0 0 387.329 3.973 20 10 GHCDRN COc1cc(Br)cc(CN2CCO[C@@H](c3cccc(F)c3)C2)c1O ZINC000092975548 911979439 /nfs/dbraw/zinc/97/94/39/911979439.db2.gz QCHAPBAXCVMZGS-QGZVFWFLSA-N 0 0 396.256 3.876 20 10 GHCDRN COC(=O)c1c(CNc2ccc3c(cc[nH]c3=O)c2)c2cc(F)ccc2n1C ZINC001182816887 912063013 /nfs/dbraw/zinc/06/30/13/912063013.db2.gz MXCCPWYKDBLBQD-UHFFFAOYSA-N 0 0 379.391 3.558 20 10 GHCDRN CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000093282949 912163639 /nfs/dbraw/zinc/16/36/39/912163639.db2.gz TZOAOIFQESNYIS-UHFFFAOYSA-N 0 0 399.875 3.785 20 10 GHCDRN O=C(c1ccnc(OC2CCC2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000155696895 915461846 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COC(=O)c1cc(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)ccc1O ZINC001188821896 916229212 /nfs/dbraw/zinc/22/92/12/916229212.db2.gz OBGZPZRJHSPXIT-UHFFFAOYSA-N 0 0 397.408 3.879 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](CC)c1ccc(OC)cc1 ZINC000775216616 916380425 /nfs/dbraw/zinc/38/04/25/916380425.db2.gz GLIFKRZTXSDIML-HXUWFJFHSA-N 0 0 398.503 3.797 20 10 GHCDRN O=S(=O)(Nc1ccc(O)c(F)c1F)c1ccc(Br)c(Cl)c1 ZINC001189164105 916409424 /nfs/dbraw/zinc/40/94/24/916409424.db2.gz IVHWLGWUFGPLNA-UHFFFAOYSA-N 0 0 398.612 3.887 20 10 GHCDRN Cc1cc(C(=O)Cn2nc(C)sc2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC001189138123 916422587 /nfs/dbraw/zinc/42/25/87/916422587.db2.gz CDFIIFGIYUAOLB-UHFFFAOYSA-N 0 0 395.406 3.922 20 10 GHCDRN CCCCNS(=O)(=O)c1cccc(NCc2ccc(N(C)C)c(F)c2)c1 ZINC000796401489 916485478 /nfs/dbraw/zinc/48/54/78/916485478.db2.gz HKSDSOSPDLMNIH-UHFFFAOYSA-N 0 0 379.501 3.582 20 10 GHCDRN C[C@@H](OC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)C(=O)NC1CC1 ZINC000775236555 916560722 /nfs/dbraw/zinc/56/07/22/916560722.db2.gz XKRXHQZNBVQWJS-CQSZACIVSA-N 0 0 380.448 3.992 20 10 GHCDRN Cc1cc(-c2nnc(CN[C@H](C)c3ccc(N4CCOCC4)cc3)o2)c(C)o1 ZINC000775254635 916648094 /nfs/dbraw/zinc/64/80/94/916648094.db2.gz LYHNPMDAPQQXEY-OAHLLOKOSA-N 0 0 382.464 3.634 20 10 GHCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c1[O-] ZINC000775256944 916666103 /nfs/dbraw/zinc/66/61/03/916666103.db2.gz AUJDDROUUFBFLK-AWEZNQCLSA-N 0 0 388.895 3.936 20 10 GHCDRN CCc1nc(C(=O)N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)cs1 ZINC001190041133 917072607 /nfs/dbraw/zinc/07/26/07/917072607.db2.gz UJNMVPKHWMMOKW-UHFFFAOYSA-N 0 0 385.411 3.567 20 10 GHCDRN CO[C@@H]1COCC[C@H]1CC(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000295063614 917121155 /nfs/dbraw/zinc/12/11/55/917121155.db2.gz YYHFYPUYLWVGRS-ZWCUEREDSA-N 0 0 383.488 3.924 20 10 GHCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)c1 ZINC000775368445 917183079 /nfs/dbraw/zinc/18/30/79/917183079.db2.gz HPFMNZBXMRAPAZ-ZDUSSCGKSA-N 0 0 381.354 3.688 20 10 GHCDRN CCCCNS(=O)(=O)c1ccc(C)c(NCc2ccc(N(C)C)cc2)c1 ZINC000796434852 917199970 /nfs/dbraw/zinc/19/99/70/917199970.db2.gz RRTQHGMGJAGQNP-UHFFFAOYSA-N 0 0 375.538 3.752 20 10 GHCDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccc(N(C)C)cc1 ZINC000775402632 917474935 /nfs/dbraw/zinc/47/49/35/917474935.db2.gz FIVWUHHEPOOYFZ-OAHLLOKOSA-N 0 0 382.464 3.752 20 10 GHCDRN C[C@@H](NC(=O)CCNC(=O)c1ccc2ccccc2c1)c1ccc(N(C)C)cc1 ZINC000775404460 917515749 /nfs/dbraw/zinc/51/57/49/917515749.db2.gz MSDWQDGOZBGNSZ-QGZVFWFLSA-N 0 0 389.499 3.903 20 10 GHCDRN C[C@H](NC(=O)[C@@](C)(O)c1cccc(C(F)(F)F)c1)c1ccc(N(C)C)cc1 ZINC000775408163 917527095 /nfs/dbraw/zinc/52/70/95/917527095.db2.gz XIRDKPXTROVVOJ-DJJJIMSYSA-N 0 0 380.410 3.856 20 10 GHCDRN CN(C)c1ccc(N=Nc2cccc(C(=O)n3c(N)c(F)ccc3=N)c2)cc1 ZINC001190965078 917670746 /nfs/dbraw/zinc/67/07/46/917670746.db2.gz YLTXVNCCJDQCFM-UHFFFAOYSA-N 0 0 378.411 3.859 20 10 GHCDRN Cc1cc(C(=O)N2C[C@H](C)O[C@]3(CCCOC3)C2)c(C)n1-c1ccccc1C ZINC000796504115 917872604 /nfs/dbraw/zinc/87/26/04/917872604.db2.gz JKOPCTLILZRZFX-FDDCHVKYSA-N 0 0 382.504 3.813 20 10 GHCDRN COc1ccc(N(CCC(C)C)C[C@H](O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000796506285 917891800 /nfs/dbraw/zinc/89/18/00/917891800.db2.gz YGQNNBFUUIVCFX-NRFANRHFSA-N 0 0 391.533 3.685 20 10 GHCDRN Oc1ccc(Br)cc1CNc1cc(F)c(N2CCOCC2)cc1F ZINC000796530183 918071905 /nfs/dbraw/zinc/07/19/05/918071905.db2.gz RFQCUEQFKMPLBV-UHFFFAOYSA-N 0 0 399.235 3.882 20 10 GHCDRN COc1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccc1N1CCCC1=O ZINC000775469192 918100371 /nfs/dbraw/zinc/10/03/71/918100371.db2.gz ARGYGOSHIWVCMF-OAHLLOKOSA-N 0 0 396.491 3.771 20 10 GHCDRN CCOc1ccc(N(CC)Cc2nc(N)nc(Nc3ccccc3C)n2)cc1 ZINC001192014180 918358447 /nfs/dbraw/zinc/35/84/47/918358447.db2.gz QVOYSUMLAAXNCV-UHFFFAOYSA-N 0 0 378.480 3.931 20 10 GHCDRN Cc1cc(C(=O)CN2CCOC[C@H]2CC(F)F)c(C)n1-c1cccc(F)c1 ZINC000796580789 918374197 /nfs/dbraw/zinc/37/41/97/918374197.db2.gz XSWXCSDCEWUHKO-QGZVFWFLSA-N 0 0 380.410 3.772 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1csc([N+](=O)[O-])c1 ZINC000363619822 918541557 /nfs/dbraw/zinc/54/15/57/918541557.db2.gz JRBNWMJAMDGPOQ-UHFFFAOYSA-N 0 0 397.403 3.657 20 10 GHCDRN Cc1cc(C(=O)CN2C[C@@H](C)O[C@]3(CCCOC3)C2)c(C)n1-c1ccccc1 ZINC000796612166 918947231 /nfs/dbraw/zinc/94/72/31/918947231.db2.gz MFJGNIMYVQEMSF-WZONZLPQSA-N 0 0 382.504 3.547 20 10 GHCDRN CN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@H](c1ncc[nH]1)c1ccccc1 ZINC000297097398 919054055 /nfs/dbraw/zinc/05/40/55/919054055.db2.gz NDECLSYNAKXECK-NRFANRHFSA-N 0 0 389.503 3.941 20 10 GHCDRN Cc1c(Cl)cncc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1 ZINC000297146827 919098667 /nfs/dbraw/zinc/09/86/67/919098667.db2.gz YFYFXNYWIBPHAQ-UHFFFAOYSA-N 0 0 386.883 3.788 20 10 GHCDRN O=C(Nc1ccc2c(n1)CCC2)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000297220379 919158459 /nfs/dbraw/zinc/15/84/59/919158459.db2.gz CDRIKJSSEYADTP-UHFFFAOYSA-N 0 0 393.487 3.576 20 10 GHCDRN C[C@@H](NC(=O)CCCOCCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000145719010 919425693 /nfs/dbraw/zinc/42/56/93/919425693.db2.gz OOTZQQSQAZMMLX-HXUWFJFHSA-N 0 0 396.531 3.740 20 10 GHCDRN Cc1ccc(NC(=O)C(C)(C)C)cc1N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000900232455 920039370 /nfs/dbraw/zinc/03/93/70/920039370.db2.gz OSPBCAMFPCSLIO-UHFFFAOYSA-N 0 0 395.459 3.654 20 10 GHCDRN C[C@@H](NC(=O)c1cc(Br)cc2[nH]cnc21)c1ccc(N(C)C)cc1 ZINC000800539591 920257479 /nfs/dbraw/zinc/25/74/79/920257479.db2.gz GYHKDNPTWVDOPG-LLVKDONJSA-N 0 0 387.281 3.882 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)Nc3nc4ccccn4n3)cc2Cl)C1 ZINC000800557517 920268916 /nfs/dbraw/zinc/26/89/16/920268916.db2.gz WUCQPEPNWKFKME-AWEZNQCLSA-N 0 0 398.898 3.941 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCc4nccn4C3)cc2Cl)C1 ZINC000800570684 920282510 /nfs/dbraw/zinc/28/25/10/920282510.db2.gz BNDQZFJVLYKKGM-NVXWUHKLSA-N 0 0 386.927 3.652 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCC[C@@H]3CCO)cc2Cl)C1 ZINC000800714075 920387584 /nfs/dbraw/zinc/38/75/84/920387584.db2.gz AMKUBEMASVQWLS-SZVBFZGTSA-N 0 0 393.959 3.927 20 10 GHCDRN CCCCN(CCO)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800719602 920390075 /nfs/dbraw/zinc/39/00/75/920390075.db2.gz LWBDCNZNLRNTFN-INIZCTEOSA-N 0 0 381.948 3.880 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)N(CCO)C3CCC3)cc2Cl)C1 ZINC000800720366 920393231 /nfs/dbraw/zinc/39/32/31/920393231.db2.gz SDBQSYJEVAWACA-HNNXBMFYSA-N 0 0 379.932 3.633 20 10 GHCDRN CCc1csc(CC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000801162424 920811570 /nfs/dbraw/zinc/81/15/70/920811570.db2.gz RQWYPOJOHGWGOQ-CQSZACIVSA-N 0 0 395.475 3.635 20 10 GHCDRN CCN(C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)C(C)C ZINC000298844854 920985040 /nfs/dbraw/zinc/98/50/40/920985040.db2.gz DUGYAAHOIQKJSA-KAMYIIQDSA-N 0 0 382.576 3.986 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)Nc2ccccc2SCC(N)=O)C2CC2)cc1 ZINC000298857114 920997889 /nfs/dbraw/zinc/99/78/89/920997889.db2.gz PJUXYAXQYRHPGT-UHFFFAOYSA-N 0 0 398.532 3.527 20 10 GHCDRN C[C@@H](NC(=O)N1CCC[C@](CO)(c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000802298619 921996717 /nfs/dbraw/zinc/99/67/17/921996717.db2.gz UYZSMKUVNIKOIE-JPYJTQIMSA-N 0 0 381.520 3.549 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc2[nH]ccc2cc1C ZINC000802610925 922256659 /nfs/dbraw/zinc/25/66/59/922256659.db2.gz YRMIRJNNWVZSKB-UHFFFAOYSA-N 0 0 379.460 3.949 20 10 GHCDRN Cc1cc(C(=O)Oc2cccc3c2CCCC(=O)N3)c(C)n1-c1ccccn1 ZINC000803087832 922680368 /nfs/dbraw/zinc/68/03/68/922680368.db2.gz KQTTZYJGSYAWIW-UHFFFAOYSA-N 0 0 375.428 3.983 20 10 GHCDRN C[C@@H]([NH2+]Cc1nc(CN(C)C)cs1)c1cc(Br)cc(F)c1[O-] ZINC000903222971 922867959 /nfs/dbraw/zinc/86/79/59/922867959.db2.gz QMQWFSOVUNDEEQ-SECBINFHSA-N 0 0 388.306 3.663 20 10 GHCDRN C[C@H]([NH2+]Cc1cnn(CCF)c1)c1cc(Br)cc(Cl)c1[O-] ZINC000903275306 922901602 /nfs/dbraw/zinc/90/16/02/922901602.db2.gz ZTQCCVNLXRTLFC-VIFPVBQESA-N 0 0 376.657 3.825 20 10 GHCDRN CC[C@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000903397478 922986898 /nfs/dbraw/zinc/98/68/98/922986898.db2.gz FIQYVEDKEGOLMT-RISCZKNCSA-N 0 0 383.279 3.514 20 10 GHCDRN 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CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000192632595 1020897758 /nfs/dbraw/zinc/89/77/58/1020897758.db2.gz AAYZFDJVGAPPBC-ZDUSSCGKSA-N 0 0 395.410 3.802 20 10 GHCDRN COc1ccc([C@@H]2C[C@H]2CC(=O)NCc2cccc(Br)c2O)cc1 ZINC000834476367 1021213501 /nfs/dbraw/zinc/21/35/01/1021213501.db2.gz WKLZJYWTKNPTEN-HOCLYGCPSA-N 0 0 390.277 3.973 20 10 GHCDRN COc1cccc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccnc2)c1O ZINC000800532157 1021318320 /nfs/dbraw/zinc/31/83/20/1021318320.db2.gz MALJPXCQSJMULR-GOSISDBHSA-N 0 0 399.491 3.590 20 10 GHCDRN COc1cc(Cl)cc(CN(C)CC(=O)N(C)[C@H](C)c2ccccc2)c1O ZINC000800544084 1021318717 /nfs/dbraw/zinc/31/87/17/1021318717.db2.gz VLUPXTLSFJWEPQ-CQSZACIVSA-N 0 0 376.884 3.706 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC[C@]2(CN(Cc3c(O)cccc3Cl)CCO2)C1 ZINC001140338043 1021441891 /nfs/dbraw/zinc/44/18/91/1021441891.db2.gz SMOHICISRMKQLV-FQEVSTJZSA-N 0 0 396.915 3.648 20 10 GHCDRN CCN(CC)c1ccc(CN(C)c2nnc(Cc3ccccn3)n2CC)cc1 ZINC000801869660 1021445932 /nfs/dbraw/zinc/44/59/32/1021445932.db2.gz HKQMKILRFFRIRE-UHFFFAOYSA-N 0 0 378.524 3.766 20 10 GHCDRN CCOC[C@H]1CN(Cc2c(O)cccc2Cl)Cc2cnn(CC3CC3)c21 ZINC001140339647 1021447112 /nfs/dbraw/zinc/44/71/12/1021447112.db2.gz KIFHNKHFUQDGIY-MRXNPFEDSA-N 0 0 375.900 3.788 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2c(O)cccc2Cl)CCC1(F)F ZINC001140341772 1021452027 /nfs/dbraw/zinc/45/20/27/1021452027.db2.gz HEKHEAIAQZSBPP-CQSZACIVSA-N 0 0 376.831 3.780 20 10 GHCDRN Cc1nn(C)cc1CN1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001204583872 1032984734 /nfs/dbraw/zinc/98/47/34/1032984734.db2.gz STYXGMGKOZVXEW-UHFFFAOYSA-N 0 0 376.504 3.630 20 10 GHCDRN O=C(Cc1ccccc1)N1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000802658381 1021516434 /nfs/dbraw/zinc/51/64/34/1021516434.db2.gz XTECUWCBGKOXBZ-QGZVFWFLSA-N 0 0 376.859 3.508 20 10 GHCDRN C[C@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1cc(Br)cc(F)c1[O-] ZINC000834826576 1021521040 /nfs/dbraw/zinc/52/10/40/1021521040.db2.gz FBZPZCGHFVRGIC-IINYFYTJSA-N 0 0 386.236 3.687 20 10 GHCDRN COc1ccc(NS(C)(=O)=O)cc1N[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000834890214 1021628907 /nfs/dbraw/zinc/62/89/07/1021628907.db2.gz YTJDGPIYKVIQBK-CYBMUJFWSA-N 0 0 390.505 3.824 20 10 GHCDRN Cc1cc(Br)cc([C@@H](C)Nc2ccc(O[C@@H]3CC(=O)N3)cc2)c1O ZINC000834892574 1021633489 /nfs/dbraw/zinc/63/34/89/1021633489.db2.gz DLWCOZTWVPVGKP-PIGZYNQJSA-N 0 0 391.265 3.861 20 10 GHCDRN CC[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cccc(Cl)c1[O-] ZINC000834908796 1021667670 /nfs/dbraw/zinc/66/76/70/1021667670.db2.gz HXBDMXSNVIUWGL-BBRMVZONSA-N 0 0 384.904 3.722 20 10 GHCDRN CC[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cccc(Cl)c1[O-] ZINC000834908797 1021668491 /nfs/dbraw/zinc/66/84/91/1021668491.db2.gz HXBDMXSNVIUWGL-CJNGLKHVSA-N 0 0 384.904 3.722 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCO[C@@H](c2nccn2C)C1)c1cc(Br)cc(F)c1[O-] ZINC000834915440 1021677994 /nfs/dbraw/zinc/67/79/94/1021677994.db2.gz YRFKBQHCSUYORW-ITDIGPHOSA-N 0 0 398.276 3.598 20 10 GHCDRN Cc1cc(C(=O)CN2CCC(O[C@H]3CCOC3)CC2)c(C)n1-c1cccc(C)c1 ZINC000748832228 1021725464 /nfs/dbraw/zinc/72/54/64/1021725464.db2.gz FIZOJEGBUAYEJV-QFIPXVFZSA-N 0 0 396.531 3.855 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H]([C@H]4CCOC4)C3)c2C)cc1 ZINC000749124502 1021750227 /nfs/dbraw/zinc/75/02/27/1021750227.db2.gz XLOUOKHSVFHIAL-MOPGFXCFSA-N 0 0 382.504 3.991 20 10 GHCDRN COc1ccccc1[C@@H](NC/C=C/c1ccc(N(C)C)cc1)c1nccn1C ZINC000835037708 1021795134 /nfs/dbraw/zinc/79/51/34/1021795134.db2.gz VUQHVCCBIHZACV-VQKOGROQSA-N 0 0 376.504 3.887 20 10 GHCDRN CC(C)c1ncsc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000835059260 1021828014 /nfs/dbraw/zinc/82/80/14/1021828014.db2.gz PVKWIXOCVSUIQC-UHFFFAOYSA-N 0 0 399.472 3.733 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccn2c(c1)nnc2C(C)(C)C ZINC001156382391 1033009629 /nfs/dbraw/zinc/00/96/29/1033009629.db2.gz DIXTWYHAAYNGQN-UHFFFAOYSA-N 0 0 379.508 3.755 20 10 GHCDRN CC(C)(C)Sc1c(F)cc(NC(=O)C(=O)NCc2ccccc2O)cc1F ZINC000835105375 1021897467 /nfs/dbraw/zinc/89/74/67/1021897467.db2.gz BCMLNHWSUUXJLC-UHFFFAOYSA-N 0 0 394.443 3.816 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)NCCOc3cncc(Cl)c3)c2C)cc1 ZINC001140553451 1021956865 /nfs/dbraw/zinc/95/68/65/1021956865.db2.gz ZKUGRWUHHFOQJP-UHFFFAOYSA-N 0 0 399.878 3.960 20 10 GHCDRN O=C1OC[C@@H]2[C@H]([N@@H+](Cc3ccccc3)Cc3c([O-])cc(F)cc3F)CCCN12 ZINC001140583963 1022005333 /nfs/dbraw/zinc/00/53/33/1022005333.db2.gz ZVBGGCAIAMJOQS-RTBURBONSA-N 0 0 388.414 3.656 20 10 GHCDRN CN(Cc1ccn(CCc2ccccc2)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000827336782 1022052776 /nfs/dbraw/zinc/05/27/76/1022052776.db2.gz MPCGCCNVSIJZCR-UHFFFAOYSA-N 0 0 390.531 3.594 20 10 GHCDRN Cc1nc(COCc2cnc3n2CCN(Cc2cc(C)ccc2O)[C@@H]3C)cs1 ZINC001140621794 1022095027 /nfs/dbraw/zinc/09/50/27/1022095027.db2.gz POTYODKFTHFXBQ-OAHLLOKOSA-N 0 0 398.532 3.956 20 10 GHCDRN Fc1cc(N2CCOCC2)ccc1CN1CCOC[C@@H]1c1ccccc1Cl ZINC001140667349 1022218219 /nfs/dbraw/zinc/21/82/19/1022218219.db2.gz PXLYUIRYOQYXDQ-OAQYLSRUSA-N 0 0 390.886 3.889 20 10 GHCDRN Fc1cc(N2CCOCC2)ccc1CN1CCOC[C@H]1c1ccccc1Cl ZINC001140667348 1022218801 /nfs/dbraw/zinc/21/88/01/1022218801.db2.gz PXLYUIRYOQYXDQ-NRFANRHFSA-N 0 0 390.886 3.889 20 10 GHCDRN CN(C)c1ccc(CNC(=O)c2cc(Br)cnc2Cl)cc1F ZINC000725893890 1022391902 /nfs/dbraw/zinc/39/19/02/1022391902.db2.gz YABXLNDGRXBRET-UHFFFAOYSA-N 0 0 386.652 3.633 20 10 GHCDRN CC(=O)CCCCCCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000754406681 1022679952 /nfs/dbraw/zinc/67/99/52/1022679952.db2.gz WVXJXDABGOPQSG-ROUUACIJSA-N 0 0 392.515 3.985 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCCC3CC(F)(F)C3)cc2F)C[C@H](C)O1 ZINC000836240773 1022758006 /nfs/dbraw/zinc/75/80/06/1022758006.db2.gz JKZRMDNNXWBDTO-OKILXGFUSA-N 0 0 399.457 3.674 20 10 GHCDRN Cc1cc(C(=O)CN2CCC[C@@H](n3ccnc3)C2)c(C)n1-c1cccc(F)c1 ZINC000754644010 1022809232 /nfs/dbraw/zinc/80/92/32/1022809232.db2.gz HFFSIUMWHMNTEI-HXUWFJFHSA-N 0 0 380.467 3.950 20 10 GHCDRN CCN1C(=O)/C(=C/c2cn(-c3cccc(Cl)c3Cl)nn2)SC1=S ZINC000754685886 1022830240 /nfs/dbraw/zinc/83/02/40/1022830240.db2.gz PSWLTXOJZLKTER-WDZFZDKYSA-N 0 0 385.301 3.795 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CC(C)(C)[C@H]2c2nccn2C)cc1F ZINC000836291091 1022830700 /nfs/dbraw/zinc/83/07/00/1022830700.db2.gz NWVVRHOFPUMGAY-GOSISDBHSA-N 0 0 387.503 3.698 20 10 GHCDRN C[C@H](S[C@@H]1CCO[C@@H]1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000754719031 1022856623 /nfs/dbraw/zinc/85/66/23/1022856623.db2.gz IMHNJBCFSJZKLR-FHSNZYRGSA-N 0 0 395.480 3.700 20 10 GHCDRN CN1CCC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)c2ccccc21 ZINC000836320820 1022868155 /nfs/dbraw/zinc/86/81/55/1022868155.db2.gz TXZJZAVUQDGPNP-OAQYLSRUSA-N 0 0 376.504 3.833 20 10 GHCDRN CN(C)c1ccc(C[N@H+]2C[C@H]3CN(C(=O)c4ccccc4)C[C@H]3C2)c(Cl)c1 ZINC001140922454 1022890163 /nfs/dbraw/zinc/89/01/63/1022890163.db2.gz RGUMELSXNPDZDH-KDURUIRLSA-N 0 0 383.923 3.610 20 10 GHCDRN O=C(c1ccccc1)c1ccc(O)c(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1[O-] ZINC000754783594 1022893394 /nfs/dbraw/zinc/89/33/94/1022893394.db2.gz MSPCPVAXUVQJCG-GOSISDBHSA-N 0 0 381.472 3.577 20 10 GHCDRN CN(C)c1ccc(CN2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)c(Cl)c1 ZINC001140924582 1022901301 /nfs/dbraw/zinc/90/13/01/1022901301.db2.gz QWJRNYSKZRWFHV-APWZRJJASA-N 0 0 387.911 3.736 20 10 GHCDRN CN(C)c1cccc(CNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)n1 ZINC000754841221 1022927676 /nfs/dbraw/zinc/92/76/76/1022927676.db2.gz IITDJTJCBQSIEL-UHFFFAOYSA-N 0 0 395.551 3.916 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C3CCOCC3)C2)cc1F ZINC000754856920 1022936360 /nfs/dbraw/zinc/93/63/60/1022936360.db2.gz WOUVGTBGSRKJMU-GOSISDBHSA-N 0 0 377.504 3.630 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C1=Cc2ccccc2OC1 ZINC000754906830 1022960819 /nfs/dbraw/zinc/96/08/19/1022960819.db2.gz KQNJDFHFGBLEIG-UHFFFAOYSA-N 0 0 388.261 3.979 20 10 GHCDRN C[C@H](SC[C@@H]1CCCO1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000754914116 1022964146 /nfs/dbraw/zinc/96/41/46/1022964146.db2.gz OUSBQCSNMGWLBX-KBPBESRZSA-N 0 0 395.480 3.701 20 10 GHCDRN Cc1ccc(CN2CCn3c(COCc4cncc(C)c4)cnc3[C@@H]2C)c(O)c1 ZINC001140950536 1022973903 /nfs/dbraw/zinc/97/39/03/1022973903.db2.gz XPRXKQRQYNMTJX-SFHVURJKSA-N 0 0 392.503 3.894 20 10 GHCDRN Cc1nc(COCc2cnc3n2CCN(Cc2ccc(C)cc2O)[C@@H]3C)cs1 ZINC001140952277 1022980806 /nfs/dbraw/zinc/98/08/06/1022980806.db2.gz KYSXONPXQKPQNC-OAHLLOKOSA-N 0 0 398.532 3.956 20 10 GHCDRN COC1(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCCC1 ZINC000836498598 1023035950 /nfs/dbraw/zinc/03/59/50/1023035950.db2.gz ISZNLSGTJXCCEQ-UHFFFAOYSA-N 0 0 397.466 3.515 20 10 GHCDRN CO[C@@H]1CC[C@@H]2OCCN(CC(=O)c3cc(C)n(-c4cccc(C)c4)c3C)[C@H]2C1 ZINC000755052669 1023047060 /nfs/dbraw/zinc/04/70/60/1023047060.db2.gz CEGYTOHDCFGKAQ-SFLYRZDNSA-N 0 0 396.531 3.854 20 10 GHCDRN C[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2O)c2ccccc2O1 ZINC000836555102 1023110030 /nfs/dbraw/zinc/11/00/30/1023110030.db2.gz VENWSUQUAXXSRR-IAQYHMDHSA-N 0 0 391.265 3.866 20 10 GHCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCSc2ccccn2)cc1 ZINC000755262658 1023160079 /nfs/dbraw/zinc/16/00/79/1023160079.db2.gz SAMYBGGTDFYSNM-FQEVSTJZSA-N 0 0 399.560 3.838 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NCCc3cc(C)ccc3F)CC2)cc1 ZINC000836620038 1023176639 /nfs/dbraw/zinc/17/66/39/1023176639.db2.gz SCYDEAHTKFDJCQ-UHFFFAOYSA-N 0 0 385.483 3.653 20 10 GHCDRN CCc1c(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)cnn1CCC(C)C ZINC000755394431 1023228739 /nfs/dbraw/zinc/22/87/39/1023228739.db2.gz RNQSZTMHSYHLRZ-UHFFFAOYSA-N 0 0 399.539 3.854 20 10 GHCDRN CCO[C@@H]1CCC[C@H]1NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000836666675 1023231411 /nfs/dbraw/zinc/23/14/11/1023231411.db2.gz TXOWFROGXUHPPK-BMGDILEWSA-N 0 0 397.466 3.514 20 10 GHCDRN COc1ccc(CNC(=O)Nc2ccc(Br)c(C3CC3)n2)c(O)c1 ZINC000836677381 1023243097 /nfs/dbraw/zinc/24/30/97/1023243097.db2.gz SCWVEIOVFFQJNC-UHFFFAOYSA-N 0 0 392.253 3.757 20 10 GHCDRN CC(=O)N(c1ccc(NC(=O)NCc2ccc(N(C)C)cc2)cc1)[C@@H]1C[C@H]1C ZINC000836705943 1023280406 /nfs/dbraw/zinc/28/04/06/1023280406.db2.gz XEWMWVDWCUITKQ-QVKFZJNVSA-N 0 0 380.492 3.836 20 10 GHCDRN CCCn1ncc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1C1CC1 ZINC000836715345 1023292746 /nfs/dbraw/zinc/29/27/46/1023292746.db2.gz AMGWIOCQLZJPAR-INIZCTEOSA-N 0 0 397.523 3.890 20 10 GHCDRN C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCS1 ZINC000755744605 1023361109 /nfs/dbraw/zinc/36/11/09/1023361109.db2.gz JYZLLEVWJPZHPO-CABCVRRESA-N 0 0 399.507 3.794 20 10 GHCDRN CC(C)[C@@H]1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000755986250 1023467846 /nfs/dbraw/zinc/46/78/46/1023467846.db2.gz UKMNMHDRHHSOQZ-OAHLLOKOSA-N 0 0 381.467 3.944 20 10 GHCDRN CC[C@H](CCO)CNC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000756033025 1023487592 /nfs/dbraw/zinc/48/75/92/1023487592.db2.gz ZTMUNBNBAVFVAJ-OAHLLOKOSA-N 0 0 393.325 3.995 20 10 GHCDRN COc1ccc(C(=O)C2CC[NH+](Cc3ccc4c(c3)OCCN4C)CC2)cc1 ZINC001141143818 1023580192 /nfs/dbraw/zinc/58/01/92/1023580192.db2.gz LKBZMIVAYPHGJX-UHFFFAOYSA-N 0 0 380.488 3.619 20 10 GHCDRN C[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1cc(Br)cc(Cl)c1[O-] ZINC000756356616 1023603846 /nfs/dbraw/zinc/60/38/46/1023603846.db2.gz FWLKHOGADMRMIJ-SNVBAGLBSA-N 0 0 399.720 3.977 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cc(F)cc(F)c1[O-] ZINC000756370482 1023613993 /nfs/dbraw/zinc/61/39/93/1023613993.db2.gz IZPDKGVBTPBRKX-YJYMSZOUSA-N 0 0 380.410 3.534 20 10 GHCDRN C[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cc(Br)cc(Cl)c1[O-] ZINC000756381923 1023620365 /nfs/dbraw/zinc/62/03/65/1023620365.db2.gz OTPLEGWPAHBEPW-XPTSAGLGSA-N 0 0 383.673 3.685 20 10 GHCDRN COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])cc1 ZINC000756383014 1023621765 /nfs/dbraw/zinc/62/17/65/1023621765.db2.gz VGOJJFSAIDSAGA-BTDLBPIBSA-N 0 0 384.245 3.687 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCc2ccc(-n3nc(C)cc3C)cc2)c1 ZINC000756413476 1023635970 /nfs/dbraw/zinc/63/59/70/1023635970.db2.gz FUGMUHCBKKKNOW-KRWDZBQOSA-N 0 0 393.487 3.875 20 10 GHCDRN COCCOc1ncccc1C[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756433353 1023646792 /nfs/dbraw/zinc/64/67/92/1023646792.db2.gz XZGBWBWZDQIULE-NSHDSACASA-N 0 0 399.260 3.565 20 10 GHCDRN C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1cc(Br)c(F)cc1[O-] ZINC000756432676 1023647038 /nfs/dbraw/zinc/64/70/38/1023647038.db2.gz LGAMTUIZLPXEQL-LBPRGKRZSA-N 0 0 395.272 3.603 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cc(F)cc(Br)c2)c1 ZINC000756440576 1023651667 /nfs/dbraw/zinc/65/16/67/1023651667.db2.gz FLQBBOBFZDWLRC-JTQLQIEISA-N 0 0 382.229 3.931 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)c1 ZINC000756476744 1023675572 /nfs/dbraw/zinc/67/55/72/1023675572.db2.gz UQDYSLIYVBWSFP-GTNSWQLSSA-N 0 0 383.366 3.582 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000756482778 1023678951 /nfs/dbraw/zinc/67/89/51/1023678951.db2.gz LHPQELNOLFFZLH-ZSEKCTLFSA-N 0 0 383.444 3.752 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000756505713 1023688499 /nfs/dbraw/zinc/68/84/99/1023688499.db2.gz XWKCWWRFZJPFIQ-KUHUBIRLSA-N 0 0 378.875 3.909 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCN(c3ccccc3OC)CC2)c1 ZINC000756507793 1023689410 /nfs/dbraw/zinc/68/94/10/1023689410.db2.gz FQFIILFQPHVJKY-HNNXBMFYSA-N 0 0 384.476 3.507 20 10 GHCDRN C[C@@H]([NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756511230 1023691589 /nfs/dbraw/zinc/69/15/89/1023691589.db2.gz MLNDFIDCGZHTAX-CQSZACIVSA-N 0 0 392.415 3.799 20 10 GHCDRN C[C@@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)c1ccc(F)cc1[O-] ZINC000756527223 1023698165 /nfs/dbraw/zinc/69/81/65/1023698165.db2.gz XMHSGIUGECXEDD-GFCCVEGCSA-N 0 0 395.272 3.765 20 10 GHCDRN C[C@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756528017 1023698920 /nfs/dbraw/zinc/69/89/20/1023698920.db2.gz TXTRMMXPJIXEBO-ZDUSSCGKSA-N 0 0 379.457 3.598 20 10 GHCDRN C[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756563835 1023714803 /nfs/dbraw/zinc/71/48/03/1023714803.db2.gz OHYQUJFTLZYGLP-GHMZBOCLSA-N 0 0 378.694 3.512 20 10 GHCDRN C[C@H]([NH2+]CCCOCC1CCOCC1)c1cc(Br)c(F)cc1[O-] ZINC000756602207 1023732014 /nfs/dbraw/zinc/73/20/14/1023732014.db2.gz DBOSMCWSRPJESR-LBPRGKRZSA-N 0 0 390.293 3.778 20 10 GHCDRN COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@H](C)c3cc(F)cc(F)c3[O-])C2)c1 ZINC000756639060 1023748781 /nfs/dbraw/zinc/74/87/81/1023748781.db2.gz VZEASUMSBRZPJV-TZMCWYRMSA-N 0 0 378.419 3.617 20 10 GHCDRN C[C@@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1cc(Br)cc(F)c1[O-] ZINC000756649349 1023753948 /nfs/dbraw/zinc/75/39/48/1023753948.db2.gz PAUYBCLLKZJMAA-SECBINFHSA-N 0 0 389.265 3.564 20 10 GHCDRN COc1cc(CN(C)c2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC(F)F ZINC000756655513 1023756481 /nfs/dbraw/zinc/75/64/81/1023756481.db2.gz YACLSSHPEXKPHW-UHFFFAOYSA-N 0 0 382.319 3.570 20 10 GHCDRN C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1cc(Br)c(F)cc1[O-] ZINC000756657632 1023759114 /nfs/dbraw/zinc/75/91/14/1023759114.db2.gz DUJDOSNPCLNPEH-MRVPVSSYSA-N 0 0 396.182 3.903 20 10 GHCDRN C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756703576 1023782015 /nfs/dbraw/zinc/78/20/15/1023782015.db2.gz DYTSQGQYFNHSTI-FKTRJACZSA-N 0 0 375.694 3.503 20 10 GHCDRN C[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1cc(Br)cc(F)c1[O-] ZINC000756761034 1023804700 /nfs/dbraw/zinc/80/47/00/1023804700.db2.gz KZKHIIUETMECNP-BZNIZROVSA-N 0 0 399.304 3.878 20 10 GHCDRN C[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1cc(Br)c(F)cc1[O-] ZINC000756770864 1023808820 /nfs/dbraw/zinc/80/88/20/1023808820.db2.gz YAPNZWDQCGBZEL-BBATYDOGSA-N 0 0 380.257 3.778 20 10 GHCDRN C[C@@H]([NH2+][C@@H](CO)CC1CC1)c1cc(Br)cc(Br)c1[O-] ZINC000756770706 1023808877 /nfs/dbraw/zinc/80/88/77/1023808877.db2.gz ZKMICIGAJAHJTK-LDYMZIIASA-N 0 0 393.119 3.729 20 10 GHCDRN CCn1cc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c2ccccc21 ZINC000756778609 1023813332 /nfs/dbraw/zinc/81/33/32/1023813332.db2.gz KGBSWAXWJXKZPP-UHFFFAOYSA-N 0 0 393.487 3.543 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000756782885 1023814078 /nfs/dbraw/zinc/81/40/78/1023814078.db2.gz UTISSQGDSBSNFF-PKWAYOAASA-N 0 0 390.705 3.797 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)c1 ZINC000756781682 1023814111 /nfs/dbraw/zinc/81/41/11/1023814111.db2.gz JBUTUXJOAFUCAF-HLIUYOAVSA-N 0 0 377.481 3.730 20 10 GHCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C(F)(F)c2nccs2)cc1 ZINC000756817063 1023825647 /nfs/dbraw/zinc/82/56/47/1023825647.db2.gz FCSHPYDXIVIZIC-INIZCTEOSA-N 0 0 395.475 3.509 20 10 GHCDRN COCCN(Cc1cc(C(=O)OC)sc1C)c1ccc(OC)c(OC)c1 ZINC000756882589 1023845658 /nfs/dbraw/zinc/84/56/58/1023845658.db2.gz KSMOYCWUVNUMJF-UHFFFAOYSA-N 0 0 379.478 3.513 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)C(F)(F)c3c(F)cccc3F)CC2)cc1 ZINC000756937689 1023874952 /nfs/dbraw/zinc/87/49/52/1023874952.db2.gz AJMZHLVMYHWRNU-UHFFFAOYSA-N 0 0 396.384 3.804 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCc2ccccc2OC(F)(F)F)c1 ZINC000756963296 1023888156 /nfs/dbraw/zinc/88/81/56/1023888156.db2.gz XNKSZDYQTPEXLT-GFCCVEGCSA-N 0 0 398.381 3.902 20 10 GHCDRN CC[C@@H](COCC(F)(F)F)NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001228921464 1033178558 /nfs/dbraw/zinc/17/85/58/1033178558.db2.gz WRIGTXYKDDKPKV-INIZCTEOSA-N 0 0 387.446 3.786 20 10 GHCDRN O=C(NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1)C1=CC(=O)CS1 ZINC000830727697 1024107728 /nfs/dbraw/zinc/10/77/28/1024107728.db2.gz WYCIDCWQOZMNGB-ZDUSSCGKSA-N 0 0 377.466 3.668 20 10 GHCDRN C/C=C/C[C@@H](NC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1)C(=O)OCC ZINC001138133184 1024193403 /nfs/dbraw/zinc/19/34/03/1024193403.db2.gz DSGATPJQEPGCFC-CPSHHHPTSA-N 0 0 396.487 3.843 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2CCO[C@H](c3nccn3C)C2)c(C)n1-c1ccccc1C ZINC000837179393 1024194273 /nfs/dbraw/zinc/19/42/73/1024194273.db2.gz VENRFXJFKSUAOF-NQIIRXRSSA-N 0 0 392.503 3.786 20 10 GHCDRN COc1ccc(N2CCCN(c3nnc(-c4ccoc4)n3CC3CC3)CC2)cc1 ZINC000830863662 1024200595 /nfs/dbraw/zinc/20/05/95/1024200595.db2.gz YUANJDRNYUOVQO-UHFFFAOYSA-N 0 0 393.491 3.673 20 10 GHCDRN Cc1cc(C(=O)Nc2c(C(N)=O)n[nH]c2C(C)C)c(C)n1-c1cccc(Cl)c1 ZINC000837187023 1024204647 /nfs/dbraw/zinc/20/46/47/1024204647.db2.gz ASEIXUSTNKEQIW-UHFFFAOYSA-N 0 0 399.882 3.945 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@H](C(=O)OC(C)C)C(C)C)ccc1C ZINC001141265124 1024335648 /nfs/dbraw/zinc/33/56/48/1024335648.db2.gz JTTIVDOYKFBBNN-NRFANRHFSA-N 0 0 398.503 3.921 20 10 GHCDRN CCc1onc(C)c1C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000837322050 1024345706 /nfs/dbraw/zinc/34/57/06/1024345706.db2.gz GMEFGXVJLOGWDJ-UHFFFAOYSA-N 0 0 385.395 3.527 20 10 GHCDRN CC(C)[C@H](CNC(=O)c1csc(Cc2ccc(N)cc2)n1)c1cccnc1 ZINC000831099235 1024354641 /nfs/dbraw/zinc/35/46/41/1024354641.db2.gz DAXLKHVNXAXONY-SFHVURJKSA-N 0 0 380.517 3.881 20 10 GHCDRN CC(C)(C)OC(=O)CC[C@@H]1COCCN1Cc1ccc(N2CCCCC2)cc1 ZINC001138222063 1024398715 /nfs/dbraw/zinc/39/87/15/1024398715.db2.gz FDMFWHJWCUCVTP-OAQYLSRUSA-N 0 0 388.552 4.000 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)c3cnn(C)c3Cl)cc2Cl)C1 ZINC000831277054 1024465952 /nfs/dbraw/zinc/46/59/52/1024465952.db2.gz SBKWRMMJQXJBPW-GFCCVEGCSA-N 0 0 381.307 3.893 20 10 GHCDRN Cc1c(CN2CCO[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)c2ccccc2n1C ZINC001138254229 1024475237 /nfs/dbraw/zinc/47/52/37/1024475237.db2.gz UDZRTXPBIZHWMM-SFTDATJTSA-N 0 0 399.535 3.697 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2n[nH]c(C)c2C)c(C)n1-c1ccc(Cl)cn1 ZINC000837527478 1024528794 /nfs/dbraw/zinc/52/87/94/1024528794.db2.gz QRZDWDDPNUQETF-UHFFFAOYSA-N 0 0 386.839 3.522 20 10 GHCDRN COCC(C)(C)C(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C ZINC000837595794 1024575475 /nfs/dbraw/zinc/57/54/75/1024575475.db2.gz HZJPKZGATMWTSD-UHFFFAOYSA-N 0 0 378.856 3.541 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2cnn(CC(C)C)c2)c(C)n1-c1ccc(F)cn1 ZINC000837624609 1024594135 /nfs/dbraw/zinc/59/41/35/1024594135.db2.gz XWGRHFHCYNIGTJ-UHFFFAOYSA-N 0 0 398.438 3.520 20 10 GHCDRN CCOCC1(C(=O)OCC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)CC1 ZINC000837705163 1024649391 /nfs/dbraw/zinc/64/93/91/1024649391.db2.gz UMDLKHZFKMWUAR-UHFFFAOYSA-N 0 0 390.867 3.685 20 10 GHCDRN O=C(C/C=C\c1ccc(F)cc1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837707476 1024650260 /nfs/dbraw/zinc/65/02/60/1024650260.db2.gz MZUQMVRDXVOVQS-UPHRSURJSA-N 0 0 390.405 3.660 20 10 GHCDRN CC[C@@H](C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000837710480 1024653521 /nfs/dbraw/zinc/65/35/21/1024653521.db2.gz RORLHVDWXREWGP-QGZVFWFLSA-N 0 0 392.421 3.751 20 10 GHCDRN Cc1ccc(Cl)cc1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837709235 1024653578 /nfs/dbraw/zinc/65/35/78/1024653578.db2.gz PCOZMPLHXQKAEE-UHFFFAOYSA-N 0 0 380.822 3.693 20 10 GHCDRN CCC1(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCCCC1 ZINC000837715774 1024659726 /nfs/dbraw/zinc/65/97/26/1024659726.db2.gz ZPKHXRDKVFTCOT-UHFFFAOYSA-N 0 0 377.504 3.699 20 10 GHCDRN CN1CCCc2cc(CN3CCN(C(=O)c4cccc(Cl)c4)CC3)ccc21 ZINC001138356094 1024720694 /nfs/dbraw/zinc/72/06/94/1024720694.db2.gz HIHJJWJSFVNCLG-UHFFFAOYSA-N 0 0 383.923 3.680 20 10 GHCDRN CCC(=O)N(C)C1CC[NH+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141374239 1024766907 /nfs/dbraw/zinc/76/69/07/1024766907.db2.gz CPAMBFXIVZZEMY-UHFFFAOYSA-N 0 0 389.721 3.641 20 10 GHCDRN CCN(CC)c1ccc(CN2CCN(C(=O)c3ccccc3C)CC2)c(OC)c1 ZINC001138392192 1024768812 /nfs/dbraw/zinc/76/88/12/1024768812.db2.gz TUYPMEDONXXJAH-UHFFFAOYSA-N 0 0 395.547 3.808 20 10 GHCDRN COCCC[C@H](CNC(=O)c1c(F)ccc(O)c1O)c1ccc(Cl)cc1 ZINC000831786984 1024863667 /nfs/dbraw/zinc/86/36/67/1024863667.db2.gz KAJVQIFFCHLAGO-CYBMUJFWSA-N 0 0 381.831 3.831 20 10 GHCDRN CC(C)[C@@H]1C[C@H]1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000838085478 1024913354 /nfs/dbraw/zinc/91/33/54/1024913354.db2.gz MAIAQPLSWOGIKL-WIGWJDOSSA-N 0 0 394.587 3.890 20 10 GHCDRN Cc1cc(C(=O)N2CCN(CC(C)C)C(=O)[C@H]2C)c(C)n1-c1ccccc1C ZINC001138564793 1025031910 /nfs/dbraw/zinc/03/19/10/1025031910.db2.gz VMKAAICWJLBOEX-LJQANCHMSA-N 0 0 381.520 3.731 20 10 GHCDRN CC(C)(C)C(=O)N1CCN(Cc2c(O)cccc2Br)C(C)(C)C1 ZINC001205100037 1033251120 /nfs/dbraw/zinc/25/11/20/1033251120.db2.gz CEJSUWPFPYENEU-UHFFFAOYSA-N 0 0 383.330 3.624 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3[C@@H]3CCC[C@H]3O)cc2)CC1 ZINC000838377928 1025096193 /nfs/dbraw/zinc/09/61/93/1025096193.db2.gz XUAKWUIBESJWJV-BHDDXSALSA-N 0 0 385.552 3.758 20 10 GHCDRN C/C=C\C[C@@H](CO)NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC001138654099 1025169727 /nfs/dbraw/zinc/16/97/27/1025169727.db2.gz XSCHQTQJMXAMFU-AWFCHZOYSA-N 0 0 391.309 3.914 20 10 GHCDRN O=C(NCCCSc1nccs1)N1CCOC[C@@H]1c1ccc(F)cc1 ZINC000838513907 1025185186 /nfs/dbraw/zinc/18/51/86/1025185186.db2.gz LVILXPBRODUDFP-OAHLLOKOSA-N 0 0 381.498 3.548 20 10 GHCDRN C[C@H]1CN(Cc2ccc(N3CCOCC3)c(Br)c2)CCC1(F)F ZINC001138676779 1025201954 /nfs/dbraw/zinc/20/19/54/1025201954.db2.gz VHTIWNXBIYBDOZ-ZDUSSCGKSA-N 0 0 389.284 3.763 20 10 GHCDRN Cc1ncccc1C[N@H+](C)Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138678321 1025203239 /nfs/dbraw/zinc/20/32/39/1025203239.db2.gz ZLCAPVFCMBLZGC-UHFFFAOYSA-N 0 0 390.325 3.621 20 10 GHCDRN CCc1nnc(CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)o1 ZINC000838578190 1025218409 /nfs/dbraw/zinc/21/84/09/1025218409.db2.gz IQSUBTCVVLVQBV-CYBMUJFWSA-N 0 0 391.903 3.521 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000838603454 1025231311 /nfs/dbraw/zinc/23/13/11/1025231311.db2.gz FSGCCQNXVCVPMN-LBPRGKRZSA-N 0 0 393.285 3.628 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)NCCc1cnc(SC2CCCC2)nc1 ZINC000838624684 1025244830 /nfs/dbraw/zinc/24/48/30/1025244830.db2.gz AMRHBVQYHKFURA-UHFFFAOYSA-N 0 0 386.521 3.601 20 10 GHCDRN CC[C@@H](COCC(F)(F)F)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000838638610 1025257165 /nfs/dbraw/zinc/25/71/65/1025257165.db2.gz ZRBAMTPDNFRNCK-HNNXBMFYSA-N 0 0 387.446 3.784 20 10 GHCDRN CO[C@@](C)(CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1 ZINC000838665837 1025277860 /nfs/dbraw/zinc/27/78/60/1025277860.db2.gz UHMKSPVSGAHYJK-OFNKIYASSA-N 0 0 398.503 3.645 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000838700244 1025309983 /nfs/dbraw/zinc/30/99/83/1025309983.db2.gz QIAKELAURLDMLP-DENIHFKCSA-N 0 0 396.535 3.988 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)Nc1ccc2c(c1)CCC2 ZINC000838746367 1025341768 /nfs/dbraw/zinc/34/17/68/1025341768.db2.gz HGWBECHELPCPQO-UHFFFAOYSA-N 0 0 387.430 3.612 20 10 GHCDRN C[C@H]1CCN(c2ccc(F)cc2F)CCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001156851161 1033278806 /nfs/dbraw/zinc/27/88/06/1033278806.db2.gz HWYXZPVPROAHAA-UMSKNGNOSA-N 0 0 388.414 3.517 20 10 GHCDRN Oc1cccc(CNCc2ccc(N3CCSCC3)cc2)c1Br ZINC000838904841 1025429753 /nfs/dbraw/zinc/42/97/53/1025429753.db2.gz SZFGYCOLDVJYDO-UHFFFAOYSA-N 0 0 393.350 3.998 20 10 GHCDRN CC(C)[C@@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)N1Cc2ccccc2C1=O ZINC000832436919 1025558243 /nfs/dbraw/zinc/55/82/43/1025558243.db2.gz TUJCSCBQFPJWNC-KKSFZXQISA-N 0 0 379.504 3.610 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(F)cc1N1CCOCC1 ZINC000839183752 1025695513 /nfs/dbraw/zinc/69/55/13/1025695513.db2.gz BIOKECINHSKLHY-UHFFFAOYSA-N 0 0 398.482 3.584 20 10 GHCDRN O=C(C(=O)N1CCCC2(CCCC2)C1)N(Cc1ccco1)Cc1ccccc1O ZINC000839212191 1025728918 /nfs/dbraw/zinc/72/89/18/1025728918.db2.gz JDMAWNGCSLHWKJ-UHFFFAOYSA-N 0 0 396.487 3.697 20 10 GHCDRN C[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000839241145 1025750235 /nfs/dbraw/zinc/75/02/35/1025750235.db2.gz WUEJHXYAWDZLDH-HNNXBMFYSA-N 0 0 387.911 3.584 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)N(C)[C@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000839406289 1025886299 /nfs/dbraw/zinc/88/62/99/1025886299.db2.gz ZRDFHZRTIADBKR-VXKWHMMOSA-N 0 0 393.531 3.506 20 10 GHCDRN CCN(CC)c1ccc(C[NH2+]Cc2cc(Br)cc(F)c2[O-])cn1 ZINC001461042767 1069355093 /nfs/dbraw/zinc/35/50/93/1069355093.db2.gz LXQMXQGQIXUTSO-UHFFFAOYSA-N 0 0 382.277 3.825 20 10 GHCDRN Cc1cc(CC(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)c(C)n1-c1ccccc1 ZINC000832741589 1025912079 /nfs/dbraw/zinc/91/20/79/1025912079.db2.gz YNIKMUXSCOEZJE-GOSISDBHSA-N 0 0 391.519 3.955 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001139129304 1025941325 /nfs/dbraw/zinc/94/13/25/1025941325.db2.gz VGGUPJIUNCXWRX-NQIIRXRSSA-N 0 0 390.483 3.513 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCC[C@@H](Sc2ccncc2)C1 ZINC001139129118 1025941726 /nfs/dbraw/zinc/94/17/26/1025941726.db2.gz NIZRBAVZZQAQBX-MRXNPFEDSA-N 0 0 382.485 3.959 20 10 GHCDRN Cc1cccc(N2CC[NH+](Cc3c([O-])ccc4c(C)cc(=O)oc43)CC2)c1C ZINC001139129318 1025942138 /nfs/dbraw/zinc/94/21/38/1025942138.db2.gz VWTILNXXQQOQRT-UHFFFAOYSA-N 0 0 378.472 3.746 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CCN(c2ccc(F)cc2C)CC1 ZINC001139132863 1025944846 /nfs/dbraw/zinc/94/48/46/1025944846.db2.gz BIHNVRFKVPSMFG-UHFFFAOYSA-N 0 0 382.435 3.577 20 10 GHCDRN C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000832795511 1025959511 /nfs/dbraw/zinc/95/95/11/1025959511.db2.gz GXOHGGAUSLWNED-BONVTDFDSA-N 0 0 399.340 3.858 20 10 GHCDRN CSc1cc(C)ccc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000839489648 1025980105 /nfs/dbraw/zinc/98/01/05/1025980105.db2.gz PFIWZGGNPXKDDP-UHFFFAOYSA-N 0 0 384.501 3.556 20 10 GHCDRN Nc1ncc(CN2CCN(c3ccc(OCc4ccccc4)cc3)CC2)s1 ZINC001139230217 1026084437 /nfs/dbraw/zinc/08/44/37/1026084437.db2.gz YWPIESFJMZXACA-UHFFFAOYSA-N 0 0 380.517 3.627 20 10 GHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc2cccnc2[nH]1 ZINC000839690522 1026204563 /nfs/dbraw/zinc/20/45/63/1026204563.db2.gz GVZMDTFWWMATSV-CQSZACIVSA-N 0 0 386.402 3.563 20 10 GHCDRN O=C(Cc1cnccc1Cl)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000839693011 1026206767 /nfs/dbraw/zinc/20/67/67/1026206767.db2.gz ZFGMQVRSHSVHFF-CQSZACIVSA-N 0 0 395.837 3.664 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2Nc1ccnc(-n2ccccc2=O)n1 ZINC001163486447 1026210118 /nfs/dbraw/zinc/21/01/18/1026210118.db2.gz IAOPILAVNQSCLI-HXUWFJFHSA-N 0 0 376.460 3.685 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000839917303 1026345615 /nfs/dbraw/zinc/34/56/15/1026345615.db2.gz CGYQNEQAUWJRDS-MRXNPFEDSA-N 0 0 394.519 3.713 20 10 GHCDRN CO[C@H](C)c1nc(C)c(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC000839918606 1026346046 /nfs/dbraw/zinc/34/60/46/1026346046.db2.gz BOPHXPYQODNSLP-DZGCQCFKSA-N 0 0 375.538 3.894 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ncccc1Br ZINC000839921723 1026348125 /nfs/dbraw/zinc/34/81/25/1026348125.db2.gz MCSDTWIVCWRMIN-CYBMUJFWSA-N 0 0 376.298 3.580 20 10 GHCDRN COC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139688057 1026538373 /nfs/dbraw/zinc/53/83/73/1026538373.db2.gz XWRYDEYFQHLXSC-MOPGFXCFSA-N 0 0 375.415 3.982 20 10 GHCDRN COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139688060 1026538931 /nfs/dbraw/zinc/53/89/31/1026538931.db2.gz XWRYDEYFQHLXSC-RTBURBONSA-N 0 0 375.415 3.982 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2cnc(Br)s2)C1 ZINC001139913402 1026726405 /nfs/dbraw/zinc/72/64/05/1026726405.db2.gz AUQASWBZKGKEQW-UHFFFAOYSA-N 0 0 392.322 3.964 20 10 GHCDRN CCN(CC)c1ccc(CNc2cccc(C(=O)N3CCOCC3)c2C)cc1 ZINC000098172708 1026737562 /nfs/dbraw/zinc/73/75/62/1026737562.db2.gz NADQLTANDDJKPL-UHFFFAOYSA-N 0 0 381.520 3.926 20 10 GHCDRN O=C(NCc1cccc(Br)c1O)c1ccc(C(F)(F)F)c(O)c1 ZINC001139975008 1026772358 /nfs/dbraw/zinc/77/23/58/1026772358.db2.gz RFCUBTPTQHLOIM-UHFFFAOYSA-N 0 0 390.155 3.809 20 10 GHCDRN CC(C)(C)c1cnc(SCC(=O)N2CCN(Cc3ccccc3)CC2)s1 ZINC001165808834 1026844438 /nfs/dbraw/zinc/84/44/38/1026844438.db2.gz ONVYYIPPGKXSSM-UHFFFAOYSA-N 0 0 389.590 3.877 20 10 GHCDRN CN(Cc1c(O)cccc1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140101174 1026879918 /nfs/dbraw/zinc/87/99/18/1026879918.db2.gz LKRKTLPPFFADQI-GFCCVEGCSA-N 0 0 385.302 3.596 20 10 GHCDRN CC1(C)C[C@H](SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CO1 ZINC001166578537 1027032026 /nfs/dbraw/zinc/03/20/26/1027032026.db2.gz ZWNQYMIJKLQECC-ZDUSSCGKSA-N 0 0 395.480 3.701 20 10 GHCDRN COC(=O)c1cc(OCc2cccc(C(=O)NCC(C)C)c2)ccc1N(C)C ZINC001166714745 1027065355 /nfs/dbraw/zinc/06/53/55/1027065355.db2.gz YCOWSQKJZXZDFD-UHFFFAOYSA-N 0 0 384.476 3.504 20 10 GHCDRN Cc1cc(Cn2nnc(-c3ccccc3[N+](=O)[O-])n2)ccc1N1CCCCC1 ZINC001166919378 1027152025 /nfs/dbraw/zinc/15/20/25/1027152025.db2.gz XFBRSAPVAUXMPL-UHFFFAOYSA-N 0 0 378.436 3.595 20 10 GHCDRN CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000840261996 1027389789 /nfs/dbraw/zinc/38/97/89/1027389789.db2.gz BKKHEQRUZRPGGT-NHCUHLMSSA-N 0 0 387.568 3.909 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N3C[C@@H](O)C[C@@H]3c3ccccc3)cc2)CC1 ZINC000840291411 1027418105 /nfs/dbraw/zinc/41/81/05/1027418105.db2.gz GVLAJHHEJHOVIP-XZOQPEGZSA-N 0 0 393.531 3.940 20 10 GHCDRN COC1([C@H](C)NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC1 ZINC000840314004 1027441324 /nfs/dbraw/zinc/44/13/24/1027441324.db2.gz CUGWNEXMXBJIRV-GJZGRUSLSA-N 0 0 397.466 3.514 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC2(CN(Cc3cc(Br)ccc3O)C2)C1 ZINC001203635836 1027494118 /nfs/dbraw/zinc/49/41/18/1027494118.db2.gz HWMAJBWSXDEDEU-UHFFFAOYSA-N 0 0 397.313 3.598 20 10 GHCDRN C[C@H]1CN(Cc2cc(Br)ccc2O)CCN(C(=O)OC(C)(C)C)C1 ZINC001203636321 1027495801 /nfs/dbraw/zinc/49/58/01/1027495801.db2.gz UFCQQXLVCLUWTQ-ZDUSSCGKSA-N 0 0 399.329 3.844 20 10 GHCDRN Cc1ccc(S(=O)(=O)N(c2ccc(N)cc2)c2cccc3c2OCO3)cc1 ZINC001210560148 1027556290 /nfs/dbraw/zinc/55/62/90/1027556290.db2.gz QQWHTPXVZBXOKP-UHFFFAOYSA-N 0 0 382.441 3.833 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H](C)c1ccc(NC(N)=O)cc1 ZINC000840478250 1027561957 /nfs/dbraw/zinc/56/19/57/1027561957.db2.gz FHEJCGKTQHYIBG-HZPDHXFCSA-N 0 0 397.523 3.543 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000840481902 1027565001 /nfs/dbraw/zinc/56/50/01/1027565001.db2.gz PRCREKPVCLHZAU-WMQCIHAUSA-N 0 0 399.535 3.883 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC(C)(C)[C@@H]1c1nccn1C ZINC000840484555 1027568840 /nfs/dbraw/zinc/56/88/40/1027568840.db2.gz PPSAGBLVKSKMLR-LPHOPBHVSA-N 0 0 383.540 3.518 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1nnc(C(F)(F)F)s1 ZINC000840487621 1027573238 /nfs/dbraw/zinc/57/32/38/1027573238.db2.gz GVIRKGUBKHSCPY-SNVBAGLBSA-N 0 0 387.431 3.684 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)Cc1ccc2c(c1)OCCO2 ZINC000840488757 1027575044 /nfs/dbraw/zinc/57/50/44/1027575044.db2.gz NUJPAZHDEMBTDF-KRWDZBQOSA-N 0 0 397.519 3.605 20 10 GHCDRN CN(c1ccccc1Cc1ccccc1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001210631174 1027580850 /nfs/dbraw/zinc/58/08/50/1027580850.db2.gz PRGRQMJCXAYQAJ-UHFFFAOYSA-N 0 0 380.513 3.868 20 10 GHCDRN CN(C)c1ccc(CN2Cc3ncn(CC4CC4)c3[C@@H](COCC3CC3)C2)cc1 ZINC001203931857 1027723661 /nfs/dbraw/zinc/72/36/61/1027723661.db2.gz LLIWPTUDEPXZBI-OAQYLSRUSA-N 0 0 394.563 3.885 20 10 GHCDRN CN(C)c1ccc(CN2CCN(CCCC(=O)c3ccc(F)cc3)CC2)cc1 ZINC001203935316 1027728775 /nfs/dbraw/zinc/72/87/75/1027728775.db2.gz CYIJSBDCWRQUBN-UHFFFAOYSA-N 0 0 383.511 3.672 20 10 GHCDRN CCN(CC)c1ccc(C[N@@H+]2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)cc1 ZINC001203940359 1027735145 /nfs/dbraw/zinc/73/51/45/1027735145.db2.gz WVHCFNVLGXROET-GIWBLDEGSA-N 0 0 381.520 3.739 20 10 GHCDRN Fc1cc(CN[C@H](c2ncc[nH]2)C2CCCCC2)cc(F)c1N1CCOCC1 ZINC000840757161 1027795210 /nfs/dbraw/zinc/79/52/10/1027795210.db2.gz HBNGPDSNCWNNPD-IBGZPJMESA-N 0 0 390.478 3.936 20 10 GHCDRN CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000840841497 1027873982 /nfs/dbraw/zinc/87/39/82/1027873982.db2.gz CKJLCCGFHPQVPF-LLVKDONJSA-N 0 0 398.868 3.598 20 10 GHCDRN CC[C@@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000840891340 1027927179 /nfs/dbraw/zinc/92/71/79/1027927179.db2.gz XGWIHRRUSSVBQR-CYBMUJFWSA-N 0 0 380.337 3.955 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@@H](NC(=O)N(C)C)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC001142055702 1027964517 /nfs/dbraw/zinc/96/45/17/1027964517.db2.gz JDAYWGLOPLOWGL-LJQANCHMSA-N 0 0 396.535 3.587 20 10 GHCDRN CCC[C@H](NC(=O)C(=O)Nc1ccc(N)cc1)c1cccc(C(F)(F)F)c1 ZINC000841029391 1028055143 /nfs/dbraw/zinc/05/51/43/1028055143.db2.gz ODOYIFCEFAOLAW-INIZCTEOSA-N 0 0 379.382 3.884 20 10 GHCDRN Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)NCCc1ccc(N)cc1 ZINC000841086452 1028110908 /nfs/dbraw/zinc/11/09/08/1028110908.db2.gz NZYATQHVRCXUAY-QGZVFWFLSA-N 0 0 394.519 3.956 20 10 GHCDRN Cc1cc(CNS(=O)(=O)C[C@H]2CCC(F)(F)C2)c(C)n1-c1ccccc1 ZINC001213351974 1028129680 /nfs/dbraw/zinc/12/96/80/1028129680.db2.gz QYAUECZEVASYHM-INIZCTEOSA-N 0 0 382.476 3.949 20 10 GHCDRN CC(C)c1noc(Cc2ccc(NC(=O)NCCc3ccc(N)cc3)cc2)n1 ZINC000841234700 1028313940 /nfs/dbraw/zinc/31/39/40/1028313940.db2.gz SNBSHOAZKXBARP-UHFFFAOYSA-N 0 0 379.464 3.730 20 10 GHCDRN COC(=O)Cc1cccc(Nc2c(N)ccc3c2C(=O)c2ccccc2C3=O)c1 ZINC001213718541 1028347352 /nfs/dbraw/zinc/34/73/52/1028347352.db2.gz KFYZDRBBUGDZPN-UHFFFAOYSA-N 0 0 386.407 3.503 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC001461361296 1069518985 /nfs/dbraw/zinc/51/89/85/1069518985.db2.gz YPEHUEJJTIFUPK-QGZVFWFLSA-N 0 0 382.685 3.732 20 10 GHCDRN Nc1ccc(NC(=O)NC2(c3noc([C@H]4CCOC4)n3)CCCCCC2)cc1 ZINC000841297597 1028389204 /nfs/dbraw/zinc/38/92/04/1028389204.db2.gz HDCCTWCRQVYQNM-AWEZNQCLSA-N 0 0 385.468 3.527 20 10 GHCDRN COc1cc(OC)c(C2CCN(C(=O)Nc3ccc(N)cc3)CC2)c(OC)c1 ZINC000841302202 1028393468 /nfs/dbraw/zinc/39/34/68/1028393468.db2.gz ORPRPFSAIPQJEB-UHFFFAOYSA-N 0 0 385.464 3.706 20 10 GHCDRN Cc1ccc(N)cc1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841318546 1028422946 /nfs/dbraw/zinc/42/29/46/1028422946.db2.gz FISBNTJHSHKOTQ-UHFFFAOYSA-N 0 0 390.434 3.969 20 10 GHCDRN COCCCN(C(=O)/C=C/c1cnc(C)s1)c1ccc(Br)cn1 ZINC000841348637 1028469848 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3.804 20 10 GHCDRN Cc1cc(C(=O)NCCCNC(=O)c2ccccc2)c(C)n1-c1ccccc1C ZINC001154311241 1032036261 /nfs/dbraw/zinc/03/62/61/1032036261.db2.gz OIYSFVGOLYXKOU-UHFFFAOYSA-N 0 0 389.499 3.952 20 10 GHCDRN O=C(COc1ccccc1NCc1cc(F)c(F)cc1O)Nc1cccnc1 ZINC001205229844 1033318678 /nfs/dbraw/zinc/31/86/78/1033318678.db2.gz IWAJXVIJZOZEAA-UHFFFAOYSA-N 0 0 385.370 3.695 20 10 GHCDRN CN(C)c1ccc(CN(C)c2ncnc3c2CCN(Cc2ccccc2)C3)cc1 ZINC001156923831 1033321325 /nfs/dbraw/zinc/32/13/25/1033321325.db2.gz HRZJPHLLASFTES-UHFFFAOYSA-N 0 0 387.531 3.737 20 10 GHCDRN Cc1cnc(F)c([C@H](C)Oc2cc(O)c(O)c3c2C(=O)c2ccccc2C3=O)c1 ZINC001229199187 1033336826 /nfs/dbraw/zinc/33/68/26/1033336826.db2.gz UFIPGUPNEKPHNX-NSHDSACASA-N 0 0 393.370 3.856 20 10 GHCDRN CCOC(=O)c1ccc(C(F)(F)NCc2ccc3c(c2)CCO3)c(Cl)n1 ZINC001156973737 1033349310 /nfs/dbraw/zinc/34/93/10/1033349310.db2.gz RPWDJZAWLQFDGJ-UHFFFAOYSA-N 0 0 382.794 3.686 20 10 GHCDRN CCC[C@H](CC(=O)OC)Oc1c(OC)ccc2c1C(=O)c1ccccc1C2=O ZINC001229241984 1033363401 /nfs/dbraw/zinc/36/34/01/1033363401.db2.gz GWIKWIIUHPZYSU-CYBMUJFWSA-N 0 0 382.412 3.581 20 10 GHCDRN COC(=O)COc1c(C)cc(C(=O)NCc2c(O)ccc3ccccc32)cc1C ZINC001157042130 1033384268 /nfs/dbraw/zinc/38/42/68/1033384268.db2.gz YNUQLTPTDLWSRH-UHFFFAOYSA-N 0 0 393.439 3.644 20 10 GHCDRN O=C(CCCNC(=O)c1ccc(F)cc1)NCc1c(O)ccc2ccccc21 ZINC001157041642 1033384577 /nfs/dbraw/zinc/38/45/77/1033384577.db2.gz KQTVDGKZQVAQDO-UHFFFAOYSA-N 0 0 380.419 3.511 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)n(-c2cc(C)cc(C)c2)n1 ZINC001157102897 1033414416 /nfs/dbraw/zinc/41/44/16/1033414416.db2.gz REGKRIOUKPNCDU-UHFFFAOYSA-N 0 0 384.476 3.919 20 10 GHCDRN COc1ccc2c(C(=O)N[C@H]3c4c(c(C)cc(C)c4O)CC3(C)C)c[nH]c2n1 ZINC001157104745 1033416272 /nfs/dbraw/zinc/41/62/72/1033416272.db2.gz PAJJRCFKJMBREQ-IBGZPJMESA-N 0 0 379.460 3.947 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Nc3cc(C)cnc3OC(C)C)CC2)cc1 ZINC001205518254 1033449300 /nfs/dbraw/zinc/44/93/00/1033449300.db2.gz QYBVGSBJDNQOJN-UHFFFAOYSA-N 0 0 398.507 3.930 20 10 GHCDRN COc1cc(N2CCN(Cc3cc(F)c(N(C)C)cc3F)CC2)ccc1F ZINC001205521719 1033450837 /nfs/dbraw/zinc/45/08/37/1033450837.db2.gz CKJAZJLWCBWDTA-UHFFFAOYSA-N 0 0 379.426 3.501 20 10 GHCDRN COc1cc(Cl)cc(CNc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)c1O ZINC001205600589 1033487492 /nfs/dbraw/zinc/48/74/92/1033487492.db2.gz MNORSKMLIIXNSO-STQMWFEESA-N 0 0 377.872 3.675 20 10 GHCDRN C[C@@H]1CCCCN1c1nc2ccccc2nc1NCCc1cc(O)c(O)cc1O ZINC001157245373 1033490508 /nfs/dbraw/zinc/49/05/08/1033490508.db2.gz XPFITLKQLKANCH-CQSZACIVSA-N 0 0 394.475 3.780 20 10 GHCDRN CN(Cc1cccs1)c1ccc(CNc2cnccc2-n2ccnn2)cc1 ZINC001205730073 1033550476 /nfs/dbraw/zinc/55/04/76/1033550476.db2.gz YQMAINQZLMPMER-UHFFFAOYSA-N 0 0 376.489 3.972 20 10 GHCDRN CCC(CC)(CNC(=O)N1Cc2cccc(O)c2C1)NC(=O)OC(C)(C)C ZINC001229641357 1033610731 /nfs/dbraw/zinc/61/07/31/1033610731.db2.gz DTYXQFOLNMIIKO-UHFFFAOYSA-N 0 0 377.485 3.501 20 10 GHCDRN CC[NH+](CC)C[C@@H](C)Oc1c(O)c([O-])cc2oc(-c3ccc(O)cc3)cc(=O)c21 ZINC001229700080 1033649736 /nfs/dbraw/zinc/64/97/36/1033649736.db2.gz PQZGPTCFKKZQJX-CYBMUJFWSA-N 0 0 399.443 3.686 20 10 GHCDRN CC(C)C[C@@H](Oc1c(O)c(O)ccc1C(=O)c1cc(O)c(O)c(O)c1)C(C)C ZINC001229786673 1033713647 /nfs/dbraw/zinc/71/36/47/1033713647.db2.gz PCZKLBWHDLOQNO-QGZVFWFLSA-N 0 0 390.432 3.895 20 10 GHCDRN Cc1cc(N(C)C)ccc1CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(F)F ZINC001206127260 1033731116 /nfs/dbraw/zinc/73/11/16/1033731116.db2.gz DAMPKTPFBFDXTR-QGZVFWFLSA-N 0 0 383.483 3.747 20 10 GHCDRN COC(=O)[C@H]1CC[C@H](Oc2c(C)c(O)cc3c2C(=O)c2ccccc2C3=O)CC1 ZINC001229828641 1033739521 /nfs/dbraw/zinc/73/95/21/1033739521.db2.gz BIKPQIXBWOHCRP-HDJSIYSDSA-N 0 0 394.423 3.587 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC001230199678 1033940692 /nfs/dbraw/zinc/94/06/92/1033940692.db2.gz CMPXXHDJOUXWDW-TYPHKJRUSA-N 0 0 387.568 3.840 20 10 GHCDRN c1nc(CN2CCN(c3ccc(OCc4cccnc4)cc3)CC2)n2ccccc12 ZINC001207055612 1034073870 /nfs/dbraw/zinc/07/38/70/1034073870.db2.gz GQJCZGNNCZGXOL-UHFFFAOYSA-N 0 0 399.498 3.631 20 10 GHCDRN COc1ccc2nc(CN3CCN(c4ccc(OC)cc4OC)CC3)sc2c1 ZINC001207218352 1034187433 /nfs/dbraw/zinc/18/74/33/1034187433.db2.gz JOUZVRRLRDSPCX-UHFFFAOYSA-N 0 0 399.516 3.644 20 10 GHCDRN CC[C@H](C)N1CC[C@]2(CC[N@H+](Cc3cc(Br)c(F)cc3[O-])C2)C1=O ZINC001276518466 1034222510 /nfs/dbraw/zinc/22/25/10/1034222510.db2.gz QBIUSCWYHVJBQY-SGTLLEGYSA-N 0 0 399.304 3.517 20 10 GHCDRN Cc1cc(C(=O)N2Cc3cnn(C)c3C2)c(C)n1-c1cccc(Br)c1 ZINC001158816646 1034285898 /nfs/dbraw/zinc/28/58/98/1034285898.db2.gz IDSZGPDNECXMNW-UHFFFAOYSA-N 0 0 399.292 3.746 20 10 GHCDRN CC(C)c1ccc(N2CC[C@@H](C(=O)NCc3cccc(Cl)c3O)C2=O)cc1 ZINC001159034412 1034393631 /nfs/dbraw/zinc/39/36/31/1034393631.db2.gz VOWWMYZJVNYERM-KRWDZBQOSA-N 0 0 386.879 3.838 20 10 GHCDRN CCc1ccc([C@H](C)NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1 ZINC001231321554 1034516645 /nfs/dbraw/zinc/51/66/45/1034516645.db2.gz NPYYYXIFLKNLJV-INIZCTEOSA-N 0 0 385.483 3.990 20 10 GHCDRN Cc1ccc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)c(O)c1O ZINC001159301305 1034531928 /nfs/dbraw/zinc/53/19/28/1034531928.db2.gz RDVXUUHBJGGCGT-UHFFFAOYSA-N 0 0 388.221 3.607 20 10 GHCDRN O=C1N(CC2CCCC2)CC[C@]12CCC[N@H+]2Cc1cc(F)cc(Cl)c1[O-] ZINC001277509938 1034542749 /nfs/dbraw/zinc/54/27/49/1034542749.db2.gz KGNVMMRMPWDERN-HXUWFJFHSA-N 0 0 380.891 3.942 20 10 GHCDRN O=C([O-])c1ccc(C[N@@H+]2CCC[C@H](N(Cc3ccccc3)C3CC3)C2)c(O)c1 ZINC001231453868 1034596860 /nfs/dbraw/zinc/59/68/60/1034596860.db2.gz LPQJRTNUUKJGPG-NRFANRHFSA-N 0 0 380.488 3.719 20 10 GHCDRN O=C([O-])c1ccc(C[NH+]2CCN(c3ccnc4cc(Cl)ccc43)CC2)c(O)c1 ZINC001231451391 1034597186 /nfs/dbraw/zinc/59/71/86/1034597186.db2.gz MIAICPOSOBACIG-UHFFFAOYSA-N 0 0 397.862 3.614 20 10 GHCDRN CCN(Cc1cccn1S(=O)(=O)c1ccc(C)cc1)Cc1ccccc1O ZINC001231498894 1034642704 /nfs/dbraw/zinc/64/27/04/1034642704.db2.gz DMCZDJUTYBOYBE-UHFFFAOYSA-N 0 0 384.501 3.761 20 10 GHCDRN COc1ccc(Br)c(CN2CCN(c3ccc(F)cc3)CC2)c1O ZINC001231548490 1034702123 /nfs/dbraw/zinc/70/21/23/1034702123.db2.gz SYHDDYFOEYWDJG-UHFFFAOYSA-N 0 0 395.272 3.625 20 10 GHCDRN Oc1ccc(Br)cc1CNc1nc(Cl)nc2c1CSCC2 ZINC001160011976 1034827941 /nfs/dbraw/zinc/82/79/41/1034827941.db2.gz ICLMFUAJSWPDRP-UHFFFAOYSA-N 0 0 386.702 4.000 20 10 GHCDRN CCOC(=O)[C@@H]1CCc2nnc(NCc3cc4ccccc4cc3O)cc2C1 ZINC001160214096 1034903344 /nfs/dbraw/zinc/90/33/44/1034903344.db2.gz UYNPQZGJUHFEPB-MRXNPFEDSA-N 0 0 377.444 3.616 20 10 GHCDRN COc1cc(N(C)C)ccc1CN1CCN(CC2CC2)c2nc(C)ccc2C1 ZINC001231851496 1034942664 /nfs/dbraw/zinc/94/26/64/1034942664.db2.gz DBHXOKCMCMQHII-UHFFFAOYSA-N 0 0 380.536 3.697 20 10 GHCDRN O=C(Nc1ccccc1)C1=NO[C@]2(C1)CCC[N@@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001231911214 1034985290 /nfs/dbraw/zinc/98/52/90/1034985290.db2.gz GEHWQKZGBOVCPY-NRFANRHFSA-N 0 0 399.878 3.795 20 10 GHCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC2(CC1)COCCN(c1nccs1)C2 ZINC001231911627 1034986966 /nfs/dbraw/zinc/98/69/66/1034986966.db2.gz OASUIMXZWDUMQT-UHFFFAOYSA-N 0 0 393.940 3.621 20 10 GHCDRN COc1ccc(N2CCN(Cc3nc(Br)ccc3F)CC2)c(C)c1 ZINC001231949500 1035002884 /nfs/dbraw/zinc/00/28/84/1035002884.db2.gz ZGANGSDEAJYRAX-UHFFFAOYSA-N 0 0 394.288 3.622 20 10 GHCDRN COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(NCc2cccc(C)c2O)n1 ZINC001160769256 1035063595 /nfs/dbraw/zinc/06/35/95/1035063595.db2.gz DAFWULKYEFAASP-ZRDIBKRKSA-N 0 0 397.475 3.879 20 10 GHCDRN Oc1cc2c(cc1O)CN(Cc1nc(Cl)ccc1Br)CCC2 ZINC001232060302 1035070500 /nfs/dbraw/zinc/07/05/00/1035070500.db2.gz VSGOUDLVTLRZCI-UHFFFAOYSA-N 0 0 383.673 3.857 20 10 GHCDRN O=C(CNC(=O)c1ccccc1Cl)N(Cc1ccco1)Cc1ccccc1O ZINC000098076250 1035221973 /nfs/dbraw/zinc/22/19/73/1035221973.db2.gz NSUWPONSUWQZEX-UHFFFAOYSA-N 0 0 398.846 3.597 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2ccc(N3CCCC3)nc2)C1 ZINC001209623155 1035334142 /nfs/dbraw/zinc/33/41/42/1035334142.db2.gz DVXZTJVHWLDJSG-UHFFFAOYSA-N 0 0 376.504 3.740 20 10 GHCDRN CCOC(=O)c1cc2c(cc(C)nc2-c2cnc(N)cc2C(F)(F)F)n1C ZINC001241678788 1035647430 /nfs/dbraw/zinc/64/74/30/1035647430.db2.gz JOIAHTGGTQPGJB-UHFFFAOYSA-N 0 0 378.354 3.721 20 10 GHCDRN COc1ccc(N2CCN(Cc3cc(Br)cnc3C)CC2)c(C)c1 ZINC001248781953 1036143868 /nfs/dbraw/zinc/14/38/68/1036143868.db2.gz HBTQCDZDNOUIIG-UHFFFAOYSA-N 0 0 390.325 3.792 20 10 GHCDRN Fc1ccccc1Cn1ccc2c1ncnc2-c1cccnc1N1CCOCC1 ZINC001243457781 1036154734 /nfs/dbraw/zinc/15/47/34/1036154734.db2.gz HBMOMBZXLPSZLA-UHFFFAOYSA-N 0 0 389.434 3.517 20 10 GHCDRN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1c(O)cccc1Br ZINC001462071585 1069979913 /nfs/dbraw/zinc/97/99/13/1069979913.db2.gz NIGZHVHCUSZBGA-OLZOCXBDSA-N 0 0 399.329 3.984 20 10 GHCDRN CC(C)(C)c1cc(O)c(CN2CCN(C(=O)c3ccco3)CC2)cc1Cl ZINC001248881025 1036220555 /nfs/dbraw/zinc/22/05/55/1036220555.db2.gz ONHYLILDURVLJN-UHFFFAOYSA-N 0 0 376.884 3.894 20 10 GHCDRN Cc1cc(CNC(=O)c2cn(-c3ccc(C)cc3)nn2)c(C)n1-c1ccccc1 ZINC001462085775 1069987330 /nfs/dbraw/zinc/98/73/30/1069987330.db2.gz MWZWCTJYGZBHCJ-UHFFFAOYSA-N 0 0 385.471 3.913 20 10 GHCDRN Oc1cc(O)c(CCNC(=S)NC(c2ccccc2)c2ccccc2)cc1O ZINC001244822046 1036672249 /nfs/dbraw/zinc/67/22/49/1036672249.db2.gz JLROBCCFPULQCL-UHFFFAOYSA-N 0 0 394.496 3.600 20 10 GHCDRN CCN(c1ccccc1)c1cc(-c2cncc(CN3CCOCC3)c2)ncn1 ZINC001245248220 1036834783 /nfs/dbraw/zinc/83/47/83/1036834783.db2.gz GLIXCJKRDAMTRN-UHFFFAOYSA-N 0 0 375.476 3.529 20 10 GHCDRN COc1ccc(N2CCN(c3ccc(NC(=S)NCC(C)C)cc3)CC2)cc1 ZINC001245253232 1036839150 /nfs/dbraw/zinc/83/91/50/1036839150.db2.gz FLVQNHKKNMUQKV-UHFFFAOYSA-N 0 0 398.576 3.964 20 10 GHCDRN CC(=O)Nc1ccc(-c2ncnc3c2ccn3COCC[Si](C)(C)C)cn1 ZINC001245509613 1036942042 /nfs/dbraw/zinc/94/20/42/1036942042.db2.gz WVSZZHNDLBTXMS-UHFFFAOYSA-N 0 0 383.528 3.764 20 10 GHCDRN CC(C)[C@@H]1N(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC12CCCC2 ZINC001246304696 1037286872 /nfs/dbraw/zinc/28/68/72/1037286872.db2.gz VUFQNEYEBWAZQY-NRFANRHFSA-N 0 0 384.568 3.549 20 10 GHCDRN COc1cc(O)c(C[N@@H+]2C[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2)cc1Cl ZINC001232268369 1037989900 /nfs/dbraw/zinc/98/99/00/1037989900.db2.gz PGHWSQGZZNEOML-CJNGLKHVSA-N 0 0 396.915 3.886 20 10 GHCDRN S=C(NCc1ccc2ccccc2n1)Nc1ccc(N2CCOCC2)cc1 ZINC001247254524 1038031097 /nfs/dbraw/zinc/03/10/97/1038031097.db2.gz FXKGVGZEOZRHNQ-UHFFFAOYSA-N 0 0 378.501 3.558 20 10 GHCDRN COC(=O)c1c(CN2CCN(c3ccc(F)c(F)c3)CC2)c2ccccc2n1C ZINC001232402482 1038185549 /nfs/dbraw/zinc/18/55/49/1038185549.db2.gz OFFCDUNNVZFJOJ-UHFFFAOYSA-N 0 0 399.441 3.565 20 10 GHCDRN Oc1cc(I)ccc1CN1CCc2c(F)cccc2C1 ZINC001232977340 1038746742 /nfs/dbraw/zinc/74/67/42/1038746742.db2.gz ATPIHLFJWIJQER-UHFFFAOYSA-N 0 0 383.204 3.694 20 10 GHCDRN COc1ccc2c(c1)CN(Cc1ccc(I)cc1O)C2 ZINC001232978745 1038748062 /nfs/dbraw/zinc/74/80/62/1038748062.db2.gz MVTVSBHQADFXCM-UHFFFAOYSA-N 0 0 381.213 3.521 20 10 GHCDRN [O-]c1cc(Br)cc(F)c1C[NH+]1CCC(O)(Cc2ccccc2)CC1 ZINC001233027022 1038779146 /nfs/dbraw/zinc/77/91/46/1038779146.db2.gz KKSIWSKBOYMDPM-UHFFFAOYSA-N 0 0 394.284 3.863 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC1CC(Nc2ccccc2)C1 ZINC001251988734 1038795505 /nfs/dbraw/zinc/79/55/05/1038795505.db2.gz KWRILBSFYJLCTD-MDMXATFFSA-N 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ZINC001233110373 1038901038 /nfs/dbraw/zinc/90/10/38/1038901038.db2.gz CJBODRYFFDWUHQ-UHFFFAOYSA-N 0 0 378.266 3.638 20 10 GHCDRN COc1c(O)c(CN2CC(Cc3c(F)cccc3Cl)C2)ccc1[N+](=O)[O-] ZINC001462318923 1070167365 /nfs/dbraw/zinc/16/73/65/1070167365.db2.gz BVWLNJNGPLPZKL-UHFFFAOYSA-N 0 0 380.803 3.776 20 10 GHCDRN COc1cc(O)c(CN2CCOC[C@H]2c2csc(C)n2)cc1Br ZINC001233136825 1038917831 /nfs/dbraw/zinc/91/78/31/1038917831.db2.gz CUFWCYAPFLXGST-AWEZNQCLSA-N 0 0 399.310 3.502 20 10 GHCDRN COc1cc(O)c(CN2CCCc3cc(O)c(O)cc3C2)cc1Br ZINC001233141209 1038920292 /nfs/dbraw/zinc/92/02/92/1038920292.db2.gz FZIKJWDYMFYSRV-UHFFFAOYSA-N 0 0 394.265 3.523 20 10 GHCDRN Oc1cc2c(cc1O)CN(Cc1c3c(ccc1Br)OCO3)CCC2 ZINC001233147077 1038924623 /nfs/dbraw/zinc/92/46/23/1038924623.db2.gz URNQPWCQENZLPV-UHFFFAOYSA-N 0 0 392.249 3.537 20 10 GHCDRN COc1cc(Cl)cc(CN2CCC[C@@H]3[C@H]2CN3C(=O)OC(C)(C)C)c1O ZINC001233287783 1039065580 /nfs/dbraw/zinc/06/55/80/1039065580.db2.gz HKBWDSXCXYWZGV-HUUCEWRRSA-N 0 0 382.888 3.638 20 10 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COc1ccc2c(c1)c1c(n2CC(=O)N(C)CCc2ccncc2)CCCC1 ZINC001292011425 1043564663 /nfs/dbraw/zinc/56/46/63/1043564663.db2.gz CUWTWOVIAARDSP-UHFFFAOYSA-N 0 0 377.488 3.625 20 10 GHCDRN CC1CCN(c2cccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)c2)CC1 ZINC000739599816 1043637897 /nfs/dbraw/zinc/63/78/97/1043637897.db2.gz VNSQVXNXQFWZHC-UHFFFAOYSA-N 0 0 397.431 3.855 20 10 GHCDRN CN(c1ccc(CNC(=O)c2cccc3[nH]c(CO)nc32)cc1)C1CCCCC1 ZINC001292256716 1043650243 /nfs/dbraw/zinc/65/02/43/1043650243.db2.gz IKDPDCRGWXVUKM-UHFFFAOYSA-N 0 0 392.503 3.754 20 10 GHCDRN CN1c2ccccc2[C@]2(C[C@@H]2c2nnc(-c3ccc(-n4cccc4)cc3)o2)C1=O ZINC001256961600 1043774633 /nfs/dbraw/zinc/77/46/33/1043774633.db2.gz RODZRKPPZPKSIA-JPYJTQIMSA-N 0 0 382.423 3.929 20 10 GHCDRN CC(C)(C)OC(=O)N1CC(=O)C[C@@H]1c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256960640 1043774746 /nfs/dbraw/zinc/77/47/46/1043774746.db2.gz BXPWIZGBKBNNCQ-QGZVFWFLSA-N 0 0 394.431 3.778 20 10 GHCDRN c1ccn(-c2ccc(-c3nnc(-c4nccc(OC5CCOCC5)n4)o3)cc2)c1 ZINC001256988103 1043788039 /nfs/dbraw/zinc/78/80/39/1043788039.db2.gz PMVXLFCQTQFIGO-UHFFFAOYSA-N 0 0 389.415 3.542 20 10 GHCDRN CCc1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1CCCC(C)C ZINC001293105145 1044021935 /nfs/dbraw/zinc/02/19/35/1044021935.db2.gz KUOBUGKSSJMKPA-UHFFFAOYSA-N 0 0 389.519 3.751 20 10 GHCDRN Cc1c(Cl)cccc1S(=O)(=O)NCc1cc(Br)ccc1O ZINC001257646681 1044097657 /nfs/dbraw/zinc/09/76/57/1044097657.db2.gz GVYMNDRLBFFAAJ-UHFFFAOYSA-N 0 0 390.686 3.595 20 10 GHCDRN CC(C)(C)OC(=O)N1CCN(C(=O)C2=CC(=O)CS2)C2(CCCCC2)C1 ZINC001293432741 1044176724 /nfs/dbraw/zinc/17/67/24/1044176724.db2.gz XQVPMZYUEKLSCW-UHFFFAOYSA-N 0 0 380.510 3.850 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@](C)(O)c2ccccc2)c1 ZINC001293621645 1044267097 /nfs/dbraw/zinc/26/70/97/1044267097.db2.gz QCJJIGKJSJQBBE-QHCPKHFHSA-N 0 0 376.456 3.544 20 10 GHCDRN CCN(CC)c1ccc(CNS(=O)(=O)C[C@@H](OC)C2CCCCC2)cc1 ZINC001462858215 1070602035 /nfs/dbraw/zinc/60/20/35/1070602035.db2.gz PJWYRZNDSPJEFC-HXUWFJFHSA-N 0 0 382.570 3.548 20 10 GHCDRN COC(=O)C(C)(C)CNC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001295030114 1044891610 /nfs/dbraw/zinc/89/16/10/1044891610.db2.gz QFOGDXWOKHXIBZ-UHFFFAOYSA-N 0 0 376.884 3.605 20 10 GHCDRN CCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCC(C)CC2)cc1 ZINC001295108788 1044918735 /nfs/dbraw/zinc/91/87/35/1044918735.db2.gz AQPOZTSTEOGPQN-HXUWFJFHSA-N 0 0 397.567 3.913 20 10 GHCDRN O=S(=O)(NCc1cc2ccccc2cc1O)c1ccc(Br)s1 ZINC001259061533 1044941986 /nfs/dbraw/zinc/94/19/86/1044941986.db2.gz OPAWAONWACBIJQ-UHFFFAOYSA-N 0 0 398.303 3.848 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)CCc3ncc(C(C)(C)C)o3)CC2)cc1 ZINC001295275448 1044970206 /nfs/dbraw/zinc/97/02/06/1044970206.db2.gz SSYAJDFHAATUEC-UHFFFAOYSA-N 0 0 385.508 3.652 20 10 GHCDRN CC1(C)CCc2onc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c2C1 ZINC001295406696 1045002313 /nfs/dbraw/zinc/00/23/13/1045002313.db2.gz WQNLUFNHICJCPA-INIZCTEOSA-N 0 0 384.476 3.717 20 10 GHCDRN CCN(CC)c1ccc(Cn2c(CC3CC3)nnc2N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001295420412 1045004564 /nfs/dbraw/zinc/00/45/64/1045004564.db2.gz ZMAXPXJRCNRZMJ-HDICACEKSA-N 0 0 397.567 3.739 20 10 GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001295590513 1045060765 /nfs/dbraw/zinc/06/07/65/1045060765.db2.gz KWCXNVBLFHFABP-ZWKOTPCHSA-N 0 0 387.863 3.659 20 10 GHCDRN COc1ccc2c(c1)nc(CNC(=O)c1sccc1-n1c(C)ccc1C)n2C ZINC001296728525 1045363952 /nfs/dbraw/zinc/36/39/52/1045363952.db2.gz VXRIYGXKVGMJMQ-UHFFFAOYSA-N 0 0 394.500 3.981 20 10 GHCDRN Cc1ccc(S(=O)(=O)Nc2ccc(O)c(Br)c2)c2ccncc12 ZINC001260093204 1045380737 /nfs/dbraw/zinc/38/07/37/1045380737.db2.gz CAJNYWRRLWLAOB-UHFFFAOYSA-N 0 0 393.262 3.812 20 10 GHCDRN CCOC[C@@H]1CCN(c2nnc(C3CC3)n2CCCSc2nccs2)C1 ZINC001297413387 1045514877 /nfs/dbraw/zinc/51/48/77/1045514877.db2.gz NFESLQNOUXDBKR-CQSZACIVSA-N 0 0 393.582 3.657 20 10 GHCDRN O=C(C=Cc1ccc(O)c(O)c1)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1 ZINC001299718165 1045777589 /nfs/dbraw/zinc/77/75/89/1045777589.db2.gz HNDOKKQZWRMIEB-QBBAMIDUSA-N 0 0 395.846 3.662 20 10 GHCDRN O=C(C=Cc1ccc(O)c(O)c1)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1 ZINC001299718163 1045777875 /nfs/dbraw/zinc/77/78/75/1045777875.db2.gz HNDOKKQZWRMIEB-AZMJVLTOSA-N 0 0 395.846 3.662 20 10 GHCDRN CN(CCC=C1c2ccccc2CCc2ccccc21)S(=O)(=O)c1cn[nH]c1 ZINC001260958496 1045784960 /nfs/dbraw/zinc/78/49/60/1045784960.db2.gz BIXYPEGGSHWFKY-UHFFFAOYSA-N 0 0 393.512 3.651 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc(-c2cccnc2)n1C[C@@H]1CCCS1 ZINC001298364350 1045785709 /nfs/dbraw/zinc/78/57/09/1045785709.db2.gz ZZJPFPOFVXNKQD-KRWDZBQOSA-N 0 0 381.505 3.578 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc(Cc2ccsc2)n1CC1CCOCC1 ZINC001298364698 1045785799 /nfs/dbraw/zinc/78/57/99/1045785799.db2.gz HHENRYMCRPEDQC-UHFFFAOYSA-N 0 0 398.532 3.699 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc(Cc2ccccn2)n1CCC1(F)CCC1 ZINC001298363951 1045785830 /nfs/dbraw/zinc/78/58/30/1045785830.db2.gz PHMWFRVWOQQFKX-UHFFFAOYSA-N 0 0 395.482 3.888 20 10 GHCDRN COCCc1nc(COC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)no1 ZINC001261204766 1045919188 /nfs/dbraw/zinc/91/91/88/1045919188.db2.gz DNGNRWUSUOICSM-UHFFFAOYSA-N 0 0 389.839 3.676 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNCc3ccc(S(C)(=O)=O)o3)cc2Cl)C1 ZINC001261367026 1045981932 /nfs/dbraw/zinc/98/19/32/1045981932.db2.gz PFMVWPULROMJMG-AWEZNQCLSA-N 0 0 396.940 3.863 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)c3[nH]c(=O)c4ccccc4c3C)CC2)cc1 ZINC001261549339 1046024227 /nfs/dbraw/zinc/02/42/27/1046024227.db2.gz RHKHHRYOJWOMRQ-UHFFFAOYSA-N 0 0 391.471 3.610 20 10 GHCDRN COc1ccc(N2CCN(C(=O)/C=C/CCc3ccccc3)CC2)c(OC)c1 ZINC001302001103 1046779028 /nfs/dbraw/zinc/77/90/28/1046779028.db2.gz SFFBSTXVANPIRS-YRNVUSSQSA-N 0 0 380.488 3.541 20 10 GHCDRN COC(C)(C)c1nsc(NC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)n1 ZINC001302226986 1046883141 /nfs/dbraw/zinc/88/31/41/1046883141.db2.gz XFKNBBVXSNPSJR-UHFFFAOYSA-N 0 0 398.488 3.892 20 10 GHCDRN Cc1cc(CNC(=O)c2cccc(-n3cc[nH]c3=O)c2)c(C)n1-c1ccccc1 ZINC001302266953 1046891080 /nfs/dbraw/zinc/89/10/80/1046891080.db2.gz HDYXLJVFPGVNPF-UHFFFAOYSA-N 0 0 386.455 3.915 20 10 GHCDRN Cc1ccc(-c2nnc(N(C)Cc3ccccc3O)n2C[C@@H]2CCCCO2)cn1 ZINC001263584163 1046969352 /nfs/dbraw/zinc/96/93/52/1046969352.db2.gz SZRUGEREZKEJIE-IBGZPJMESA-N 0 0 393.491 3.560 20 10 GHCDRN Cc1cc(CC(=O)NCCCN(C)c2ccccn2)c(C)n1-c1ccccc1 ZINC001302975669 1047223952 /nfs/dbraw/zinc/22/39/52/1047223952.db2.gz HIVQHOIBBMMBOA-UHFFFAOYSA-N 0 0 376.504 3.674 20 10 GHCDRN Cc1nc2ccnn2c(C)c1CCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001264286991 1047297625 /nfs/dbraw/zinc/29/76/25/1047297625.db2.gz GFWGMOSDVCRZNY-UHFFFAOYSA-N 0 0 391.519 3.538 20 10 GHCDRN Cc1cc2cc(C(=O)NCc3cccc(O)c3O)oc2c(Br)c1 ZINC001303194573 1047309541 /nfs/dbraw/zinc/30/95/41/1047309541.db2.gz GACOBILDCDCDKP-UHFFFAOYSA-N 0 0 376.206 3.845 20 10 GHCDRN O=C(OCCn1cc([N+](=O)[O-])cn1)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC000748110113 1047331970 /nfs/dbraw/zinc/33/19/70/1047331970.db2.gz DDLJYLPOXHJYTJ-UHFFFAOYSA-N 0 0 381.348 3.769 20 10 GHCDRN Cc1cc(CC(=O)N[C@H](C)CC[S@@](C)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000748366837 1047428401 /nfs/dbraw/zinc/42/84/01/1047428401.db2.gz JPDBRZRCWLPQSR-YMXBGEKHSA-N 0 0 380.941 3.563 20 10 GHCDRN CCOc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2cccnc2)C1=O ZINC000748583817 1047515569 /nfs/dbraw/zinc/51/55/69/1047515569.db2.gz IQWSSECPHFAMDY-DHDCSXOGSA-N 0 0 387.442 3.794 20 10 GHCDRN CC(C)(C)OC(=O)N1Cc2ccc(C(=O)NCc3c(O)cccc3F)cc2C1 ZINC001303875582 1047526634 /nfs/dbraw/zinc/52/66/34/1047526634.db2.gz KWKZWEHVXXHEHN-UHFFFAOYSA-N 0 0 386.423 3.712 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NC(C)(C)C)c(C)n1-c1ccccc1C ZINC001303909841 1047532771 /nfs/dbraw/zinc/53/27/71/1047532771.db2.gz QGIPHJMJLSIROA-HXUWFJFHSA-N 0 0 381.520 3.922 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H](C(=O)NCc1c(O)cccc1O)C1CCCCCC1 ZINC001304054748 1047574361 /nfs/dbraw/zinc/57/43/61/1047574361.db2.gz WXOBZLWUSSXNQR-SFHVURJKSA-N 0 0 392.496 3.578 20 10 GHCDRN Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCCC1(C)C ZINC001304238316 1047622796 /nfs/dbraw/zinc/62/27/96/1047622796.db2.gz PLRHDZGMXYCBEQ-LJQANCHMSA-N 0 0 397.567 3.974 20 10 GHCDRN Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](C)CC1 ZINC001304238483 1047623490 /nfs/dbraw/zinc/62/34/90/1047623490.db2.gz RPROBAGDIKZUIR-YLJYHZDGSA-N 0 0 397.567 3.831 20 10 GHCDRN Cc1cc(CC(=O)N2CCOC[C@@H]2CC2CCOCC2)c(C)n1-c1ccccc1 ZINC001463234887 1070929702 /nfs/dbraw/zinc/92/97/02/1070929702.db2.gz UKABOQUKHGJXFQ-QHCPKHFHSA-N 0 0 396.531 3.681 20 10 GHCDRN Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1C[C@H]1CCO[C@H](C)C1 ZINC001304794367 1047771201 /nfs/dbraw/zinc/77/12/01/1047771201.db2.gz OTRVJIWAVDRYHU-XLIONFOSSA-N 0 0 383.540 3.638 20 10 GHCDRN Cc1ncsc1CN1C[C@H]2C[C@@H](C1)N2Cc1ccc(N(C)C)cc1Cl ZINC001279333663 1047771975 /nfs/dbraw/zinc/77/19/75/1047771975.db2.gz KCBFUDSBXDNGDH-CALCHBBNSA-N 0 0 376.957 3.630 20 10 GHCDRN Cc1ncsc1CN1CC2(C1)CCC[N@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001279488478 1047822758 /nfs/dbraw/zinc/82/27/58/1047822758.db2.gz IYYYDEJFAXCHQL-UHFFFAOYSA-N 0 0 379.476 3.533 20 10 GHCDRN CC(C)NC(=O)N1CC2(C1)CC[NH+](Cc1cc(Cl)c(Cl)cc1[O-])CC2 ZINC001279664917 1047905048 /nfs/dbraw/zinc/90/50/48/1047905048.db2.gz FXDSJJMXXBHENK-UHFFFAOYSA-N 0 0 386.323 3.715 20 10 GHCDRN CC1=CCC=C[C@@H]1C(=O)N1CC2(CN(Cc3c(O)ccc(Cl)c3Cl)C2)C1 ZINC001279674225 1047909726 /nfs/dbraw/zinc/90/97/26/1047909726.db2.gz FLYNMHPDYMXXQV-AWEZNQCLSA-N 0 0 393.314 3.866 20 10 GHCDRN C[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc3c(c2)CCCN3C)C[C@@H](C)O1 ZINC001305127054 1047910791 /nfs/dbraw/zinc/91/07/91/1047910791.db2.gz IFTQYWJMMSVDGN-IAGOWNOFSA-N 0 0 397.567 3.620 20 10 GHCDRN O=C(NCC(F)F)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC001279972353 1048021465 /nfs/dbraw/zinc/02/14/65/1048021465.db2.gz OWSLBDFOPCQHGY-UTBFZLOTSA-N 0 0 393.261 3.585 20 10 GHCDRN COc1ccc(OC)c(NC(=S)NNc2ccc(OC(F)(F)F)cc2)c1 ZINC000726449975 1048233367 /nfs/dbraw/zinc/23/33/67/1048233367.db2.gz MMNXOTWJKVEVNP-UHFFFAOYSA-N 0 0 387.383 3.916 20 10 GHCDRN O=[N+]([O-])c1cc(CNc2cnn(Cc3ccncc3)c2)ccc1N1CCCCC1 ZINC000727471088 1048237030 /nfs/dbraw/zinc/23/70/30/1048237030.db2.gz 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CCN(CC)c1ccc(CNC(=O)NC[C@@H](OC)c2ccc(F)cc2)cc1F ZINC001468728127 1067850619 /nfs/dbraw/zinc/85/06/19/1067850619.db2.gz LZIYCOFIUSZWCS-HXUWFJFHSA-N 0 0 391.462 3.998 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@@H]1CCCO[C@H]1C(C)C ZINC001469075240 1067970921 /nfs/dbraw/zinc/97/09/21/1067970921.db2.gz ILJQVLBNEKWDKL-CUWPLCDZSA-N 0 0 375.557 3.742 20 10 GHCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@@H](CF)C1 ZINC001469105982 1067980532 /nfs/dbraw/zinc/98/05/32/1067980532.db2.gz HOFKVOIYNNQVGA-GJZGRUSLSA-N 0 0 385.430 3.648 20 10 GHCDRN O=C(NCc1nc(-c2ccc(Cl)cc2)no1)NCc1cc(Cl)ccc1O ZINC001477939774 1078637962 /nfs/dbraw/zinc/63/79/62/1078637962.db2.gz DPOSKSKJMJBGQH-UHFFFAOYSA-N 0 0 393.230 3.748 20 10 GHCDRN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NCc1cc(Cl)ccc1O ZINC001469180714 1068014150 /nfs/dbraw/zinc/01/41/50/1068014150.db2.gz OAVAWSMSQPRHPD-HNNXBMFYSA-N 0 0 399.919 3.784 20 10 GHCDRN CCS[C@@H]1CCC[C@H](NC(=O)N(C)CCN(C)c2ccc(OC)cc2)C1 ZINC001469191034 1068020326 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ZINC001478528290 1078906343 /nfs/dbraw/zinc/90/63/43/1078906343.db2.gz NEWMYLCUWMZZLC-CVEARBPZSA-N 0 0 379.932 3.897 20 10 GHCDRN CO[C@]1(C)C[C@@H](N(C)C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1(C)C ZINC001470556223 1072624057 /nfs/dbraw/zinc/62/40/57/1072624057.db2.gz OYANVIWOYPQFHF-DKZVUGQWSA-N 0 0 375.557 3.837 20 10 GHCDRN COc1ccc([C@H]2CCCN2C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)nc1 ZINC001470556300 1072624111 /nfs/dbraw/zinc/62/41/11/1072624111.db2.gz QXSRWJNLTVMXTQ-HTAPYJJXSA-N 0 0 396.535 3.942 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)N[C@H](C)C2CCC(F)(F)CC2)cc1 ZINC001470651158 1072669904 /nfs/dbraw/zinc/66/99/04/1072669904.db2.gz UYMWNNLFUDPQMY-OAHLLOKOSA-N 0 0 383.483 3.987 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCN[C@H](c3ccc(O)cc3)C2)cc1 ZINC001470725619 1072708489 /nfs/dbraw/zinc/70/84/89/1072708489.db2.gz QBKFTSNBBLWFQE-QFIPXVFZSA-N 0 0 375.472 3.586 20 10 GHCDRN CC(=O)N[C@H](CCC(C)C)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001470849459 1072769176 /nfs/dbraw/zinc/76/91/76/1072769176.db2.gz 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CC[C@H](Cc1ccccc1)N(C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001478957062 1079038645 /nfs/dbraw/zinc/03/86/45/1079038645.db2.gz LDXCCFQTNBSTOM-VQTJNVASSA-N 0 0 381.520 3.937 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCc1ccc(O)c(CO)c1 ZINC001471643537 1073167707 /nfs/dbraw/zinc/16/77/07/1073167707.db2.gz PWKFWGGWBZFKAT-UHFFFAOYSA-N 0 0 378.472 3.573 20 10 GHCDRN O=C(NCc1cccc(O)c1O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001471644521 1073168010 /nfs/dbraw/zinc/16/80/10/1073168010.db2.gz TZJIJNGUFXCRIA-UHFFFAOYSA-N 0 0 379.372 3.680 20 10 GHCDRN CCCOc1ccc(CC(=O)NCc2c(O)cccc2F)cc1OCCC ZINC001471975791 1073288794 /nfs/dbraw/zinc/28/87/94/1073288794.db2.gz HOXWXRCGBSLDKY-UHFFFAOYSA-N 0 0 375.440 3.968 20 10 GHCDRN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1c(O)ccc2ccccc21 ZINC001472086269 1073329301 /nfs/dbraw/zinc/32/93/01/1073329301.db2.gz SBXIMASJHMFWHZ-CYBMUJFWSA-N 0 0 382.847 3.634 20 10 GHCDRN CC(C)(C)OC(=O)Nc1cccc2c1CCN(C(=O)c1cccc(O)c1O)C2 ZINC001472219830 1073373216 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CN(CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)CC1CCCC1 ZINC001473124030 1073792306 /nfs/dbraw/zinc/79/23/06/1073792306.db2.gz LAJSNICKQWWFAI-UHFFFAOYSA-N 0 0 376.456 3.523 20 10 GHCDRN CCOc1ccc(N2CCN([C@H](CC)C(=O)N(C)c3ccc(C)cc3)CC2)cc1 ZINC001473297194 1073910283 /nfs/dbraw/zinc/91/02/83/1073910283.db2.gz WVFCFSAJYKXSEC-HSZRJFAPSA-N 0 0 395.547 3.957 20 10 GHCDRN COc1cc2c(c(OC)c1)N(CC(=O)Nc1nc3ccccc3s1)CCC2 ZINC001473553821 1074013626 /nfs/dbraw/zinc/01/36/26/1074013626.db2.gz QKRLPLYNBWGZEM-UHFFFAOYSA-N 0 0 383.473 3.705 20 10 GHCDRN CCOc1ccc(N(CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC2CC2)cc1 ZINC001473719178 1074106086 /nfs/dbraw/zinc/10/60/86/1074106086.db2.gz DUHMRSRTEDMSMY-UHFFFAOYSA-N 0 0 395.503 3.642 20 10 GHCDRN COc1ccc(C[NH2+]Cc2cc(C)cc(Br)c2[O-])c(OC)c1OC ZINC001473939374 1074211942 /nfs/dbraw/zinc/21/19/42/1074211942.db2.gz ZXJFPUSZHJLCDW-UHFFFAOYSA-N 0 0 396.281 3.779 20 10 GHCDRN CCOC(=O)[C@H](NC/C=C\c1ccc(N(C)C)cc1)c1ccc(OC)c(F)c1 ZINC001474458854 1074415991 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GHCDRN CC[C@H](C)c1nnc(N2CCCO[C@H](C)C2)n1Cc1ccc(N(C)C)cc1C ZINC001495656075 1079426770 /nfs/dbraw/zinc/42/67/70/1079426770.db2.gz WLTOHDNFQAWARZ-FUHWJXTLSA-N 0 0 385.556 3.830 20 10 GHCDRN CCc1cnc(CCn2c(C3CC3)nnc2N(C)Cc2ccccc2O)s1 ZINC001498135063 1079543125 /nfs/dbraw/zinc/54/31/25/1079543125.db2.gz JAGRJQWZSUEUAJ-UHFFFAOYSA-N 0 0 383.521 3.759 20 10 GHCDRN CC(=O)c1cc(F)cc(C[NH2+][C@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])c1O ZINC001603102902 1126227296 /nfs/dbraw/zinc/22/72/96/1126227296.db2.gz CGBUINXHWRQCHT-LJQANCHMSA-N 0 0 379.815 3.563 20 10 GHCDRN CCc1ccc(C=C2SC(=S)N(c3ccccc3-c3nn[nH]n3)C2=O)s1 ZINC000736682125 598541767 /nfs/dbraw/zinc/54/17/67/598541767.db2.gz GLMSWWNWQBOAGQ-ZROIWOOFSA-N 0 0 399.526 3.896 20 10 GHCDRN Cc1cc(C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737238367 598609845 /nfs/dbraw/zinc/60/98/45/598609845.db2.gz LUWGBPQURZPLOO-UHFFFAOYSA-N 0 0 376.395 3.666 20 10 GHCDRN CC[C@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(-c4nn[nH]n4)cc3)c2C)C1 ZINC000736402530 598610141 /nfs/dbraw/zinc/61/01/41/598610141.db2.gz NGZDJLZAXUNKKT-INIZCTEOSA-N 0 0 378.480 3.536 20 10 GHCDRN Cc1cc(C(=O)N(C)c2ccc(F)cc2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737226515 598610247 /nfs/dbraw/zinc/61/02/47/598610247.db2.gz BEVYZZCVBNQPBM-UHFFFAOYSA-N 0 0 390.422 3.690 20 10 GHCDRN CCC[C@H]1SCCN1C(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000736435675 599384340 /nfs/dbraw/zinc/38/43/40/599384340.db2.gz NBYYNKMSUFKDQK-GOSISDBHSA-N 0 0 396.520 3.589 20 10 GHCDRN COc1ccc2ccc(O)c(C[N@H+](CC(=O)[O-])Cc3ccc(F)c(F)c3)c2c1 ZINC000738078488 599854791 /nfs/dbraw/zinc/85/47/91/599854791.db2.gz HSBUCHJLBZBEBA-UHFFFAOYSA-N 0 0 387.382 3.919 20 10 GHCDRN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000830722596 600827907 /nfs/dbraw/zinc/82/79/07/600827907.db2.gz FUPZXZJVBNMNSN-IBHIWXBSSA-N 0 0 395.459 3.651 20 10 GHCDRN CCc1ncsc1NC(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000825754516 607629890 /nfs/dbraw/zinc/62/98/90/607629890.db2.gz ATECVUHITNXSSY-UHFFFAOYSA-N 0 0 393.476 3.545 20 10 GHCDRN CCc1ccc(N2C(=O)C(=Cc3ccc(-c4nn[nH]n4)s3)SC2=S)cc1 ZINC000821486252 606393194 /nfs/dbraw/zinc/39/31/94/606393194.db2.gz AUKSFUINSGWDNC-NTEUORMPSA-N 0 0 399.526 3.896 20 10 GHCDRN C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177936099 837400813 /nfs/dbraw/zinc/40/08/13/837400813.db2.gz QOCFRUOABYRERH-CQSZACIVSA-N 0 0 391.874 3.605 20 10 GHCDRN C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000177947941 837427663 /nfs/dbraw/zinc/42/76/63/837427663.db2.gz DUDBWFKCJPGWQZ-IERDGZPVSA-N 0 0 385.483 3.737 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1nc(Cc2ccccc2F)no1 ZINC000890927214 837580182 /nfs/dbraw/zinc/58/01/82/837580182.db2.gz XSDVWUNQJRTPDV-UHFFFAOYSA-N 0 0 398.438 3.627 20 10 GHCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ncc(C3CCCCC3)s2)c1 ZINC000782824321 837588086 /nfs/dbraw/zinc/58/80/86/837588086.db2.gz IVCNLMWUZHFCLZ-UHFFFAOYSA-N 0 0 395.506 3.520 20 10 GHCDRN CCn1cc(-c2n[nH]cc2C(=O)N2C[C@@H](C(C)C)Cc3cc(OC)ccc32)cn1 ZINC000584404350 834533798 /nfs/dbraw/zinc/53/37/98/834533798.db2.gz GSVNTSNYBUEWMG-INIZCTEOSA-N 0 0 393.491 3.777 20 10 GHCDRN COc1ccc(N2CCCN([C@@H](C)C(=O)Nc3ccc(C)cc3F)CC2)cc1 ZINC000052466672 834750530 /nfs/dbraw/zinc/75/05/30/834750530.db2.gz RMNBKMFKEWBXLX-KRWDZBQOSA-N 0 0 385.483 3.682 20 10 GHCDRN O=C(CCCOCc1ccccc1)NCc1ccc(N2CCSCC2)cc1 ZINC000050585050 834877358 /nfs/dbraw/zinc/87/73/58/834877358.db2.gz VVTYDFNMPKRHHI-UHFFFAOYSA-N 0 0 384.545 3.853 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1OCc1noc(C)n1 ZINC000161845195 834916429 /nfs/dbraw/zinc/91/64/29/834916429.db2.gz TWDUDJHNHQAWNB-UHFFFAOYSA-N 0 0 394.475 3.685 20 10 GHCDRN O=C(/C=C/c1cnc2ccccc2n1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000154145897 835215546 /nfs/dbraw/zinc/21/55/46/835215546.db2.gz UGGMSROFCLKYRM-TZZQJPOUSA-N 0 0 389.455 3.556 20 10 GHCDRN O=[N+]([O-])c1ccc(Br)cc1NCc1ccc(N2CCOCC2)cc1 ZINC000144855939 835244586 /nfs/dbraw/zinc/24/45/86/835244586.db2.gz UPOUGDUCEUVUCW-UHFFFAOYSA-N 0 0 392.253 3.806 20 10 GHCDRN C[C@H]1[C@@H]([NH2+]Cc2cccc(Br)c2[O-])CCN1Cc1ccccc1 ZINC000309710732 835294066 /nfs/dbraw/zinc/29/40/66/835294066.db2.gz JFVOIKMNFWZBAY-KSSFIOAISA-N 0 0 375.310 3.907 20 10 GHCDRN CC(C)Cn1ncc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1C1CC1 ZINC000132340725 835346139 /nfs/dbraw/zinc/34/61/39/835346139.db2.gz FAHOMDQXZHQXIY-UHFFFAOYSA-N 0 0 396.535 3.525 20 10 GHCDRN COCCOc1cc(NC(=O)NCc2c(C)c3ccccc3n2C)ccc1OC ZINC000471179898 835483890 /nfs/dbraw/zinc/48/38/90/835483890.db2.gz WVPXCJJHUUEYLC-UHFFFAOYSA-N 0 0 397.475 3.842 20 10 GHCDRN CCc1cccc(N2C(=O)C(=Cc3ccc4c(c3)CCCN4C)NC2=S)c1 ZINC000748083714 835530916 /nfs/dbraw/zinc/53/09/16/835530916.db2.gz YVUBYMPEFPDHSN-XMHGGMMESA-N 0 0 377.513 3.894 20 10 GHCDRN Cc1ccc(N2C(=O)C(=Cc3ccc4c(c3)CCCN4C)NC2=S)c(C)c1 ZINC000748083582 835540669 /nfs/dbraw/zinc/54/06/69/835540669.db2.gz UCGJZDUHDNXZES-QGOAFFKASA-N 0 0 377.513 3.948 20 10 GHCDRN COc1cc(Br)cc(CN2CCO[C@H](c3ccc(F)cc3)C2)c1O ZINC000179426079 835713594 /nfs/dbraw/zinc/71/35/94/835713594.db2.gz CHTNNDWXBHGSMN-KRWDZBQOSA-N 0 0 396.256 3.876 20 10 GHCDRN COCCn1ccc2ccc(NC(=O)NCc3ccc(N4CC=CC4)cc3)cc21 ZINC000179447362 835720278 /nfs/dbraw/zinc/72/02/78/835720278.db2.gz JKLJZINNRFULGF-UHFFFAOYSA-N 0 0 390.487 3.986 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)O[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000785217137 835724806 /nfs/dbraw/zinc/72/48/06/835724806.db2.gz FHUOPVFCUFRYAS-QGZVFWFLSA-N 0 0 386.448 3.548 20 10 GHCDRN COc1ccc(Cn2cc(C(=O)NCc3c(C)c4ccccc4n3C)cn2)cc1 ZINC000471224071 835998378 /nfs/dbraw/zinc/99/83/78/835998378.db2.gz MNYNVGAFHOOUMQ-UHFFFAOYSA-N 0 0 388.471 3.670 20 10 GHCDRN COc1cc(O)c(CNc2ccc(C)c(C(=O)N3CCCCC3)c2)cc1OC ZINC000278796023 836204172 /nfs/dbraw/zinc/20/41/72/836204172.db2.gz WCFMNCUAMUKSSD-UHFFFAOYSA-N 0 0 384.476 3.956 20 10 GHCDRN COc1ccc([C@@H](C)CC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1 ZINC000177275849 836231789 /nfs/dbraw/zinc/23/17/89/836231789.db2.gz MJEHPBSHMMREBY-INIZCTEOSA-N 0 0 386.467 3.685 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000473278198 844142633 /nfs/dbraw/zinc/14/26/33/844142633.db2.gz HDKAAIKGKVUDTA-RTBURBONSA-N 0 0 381.520 3.532 20 10 GHCDRN C[C@H]1Cn2nccc2N(C(=O)c2ccccc2CCN(C)C(=O)OC(C)(C)C)C1 ZINC000893881352 844225403 /nfs/dbraw/zinc/22/54/03/844225403.db2.gz POIRQQITNFDROM-MRXNPFEDSA-N 0 0 398.507 3.589 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000177511380 838001756 /nfs/dbraw/zinc/00/17/56/838001756.db2.gz APMHPVQQGFHHKS-UHFFFAOYSA-N 0 0 390.443 3.719 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000066701599 838327529 /nfs/dbraw/zinc/32/75/29/838327529.db2.gz CADBQHAASVGSRQ-SFHVURJKSA-N 0 0 397.519 3.912 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](c1nnc2ccccn21)C(C)C ZINC000066702817 838333514 /nfs/dbraw/zinc/33/35/14/838333514.db2.gz DCNICMYDJYYPTI-LJQANCHMSA-N 0 0 381.480 3.754 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)CCc3ccc4[nH]ccc4c3)CC2)cc1 ZINC000180228542 838539538 /nfs/dbraw/zinc/53/95/38/838539538.db2.gz FBAJGYVUAJBKDD-UHFFFAOYSA-N 0 0 377.488 3.894 20 10 GHCDRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000175863458 838605025 /nfs/dbraw/zinc/60/50/25/838605025.db2.gz FAKKXAMTEQXSGN-KRWDZBQOSA-N 0 0 397.567 3.800 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000175867246 838627016 /nfs/dbraw/zinc/62/70/16/838627016.db2.gz SJQBAVIYLMKRSD-UHFFFAOYSA-N 0 0 387.867 3.628 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000181274980 838760101 /nfs/dbraw/zinc/76/01/01/838760101.db2.gz MXLNZQPDLJQNHB-MRXNPFEDSA-N 0 0 395.429 3.515 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000275792087 838840361 /nfs/dbraw/zinc/84/03/61/838840361.db2.gz VNNXTNZJNIIELQ-UHFFFAOYSA-N 0 0 392.507 3.835 20 10 GHCDRN COc1c(Br)c([N+](=O)[O-])c(N2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000014204858 839182358 /nfs/dbraw/zinc/18/23/58/839182358.db2.gz UOWGYZWJYWAKBW-DTORHVGOSA-N 0 0 388.218 3.756 20 10 GHCDRN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1cn2cc(Cl)ccc2n1 ZINC000255328542 839189405 /nfs/dbraw/zinc/18/94/05/839189405.db2.gz APXRLQNOSJAHRO-XFFZJAGNSA-N 0 0 393.790 3.550 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000155675219 839293893 /nfs/dbraw/zinc/29/38/93/839293893.db2.gz OHGOCEDDDYCANJ-NRFANRHFSA-N 0 0 381.476 3.547 20 10 GHCDRN O=C(CCc1ccc(O)cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000363895475 839468563 /nfs/dbraw/zinc/46/85/63/839468563.db2.gz KCHQZCUDMGCOJK-UHFFFAOYSA-N 0 0 390.430 3.711 20 10 GHCDRN CC(C)(C)c1nnc(NC(=O)CN2CCCc3cc(OC(F)F)ccc32)s1 ZINC001167717398 839622169 /nfs/dbraw/zinc/62/21/69/839622169.db2.gz PYRRRAMEGVPQID-UHFFFAOYSA-N 0 0 396.463 3.828 20 10 GHCDRN Cc1c(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cccc1[N+](=O)[O-] ZINC000275912933 839783553 /nfs/dbraw/zinc/78/35/53/839783553.db2.gz WPUWEDRSEYLTMJ-UHFFFAOYSA-N 0 0 396.447 3.647 20 10 GHCDRN CN1CCCc2cc(CNC(=O)c3cnn(-c4ccncc4)c3C(F)F)ccc21 ZINC000783042133 839850423 /nfs/dbraw/zinc/85/04/23/839850423.db2.gz VUWTXHDSGDEDPF-UHFFFAOYSA-N 0 0 397.429 3.517 20 10 GHCDRN O=C(NCc1cccc(Cl)c1O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000894170573 844481937 /nfs/dbraw/zinc/48/19/37/844481937.db2.gz DOXPDEBVKPJECX-WBVHZDCISA-N 0 0 378.831 3.904 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1nc(-c2cccs2)no1 ZINC000053661985 840181993 /nfs/dbraw/zinc/18/19/93/840181993.db2.gz GJLSKUHNHRQASP-UHFFFAOYSA-N 0 0 384.505 3.845 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(F)ccc1Br ZINC000193962536 840215042 /nfs/dbraw/zinc/21/50/42/840215042.db2.gz RDLADFKLGJEOMR-VIFPVBQESA-N 0 0 383.217 3.752 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(F)c(Br)c1 ZINC000193959146 840215165 /nfs/dbraw/zinc/21/51/65/840215165.db2.gz YGGHFGSOLMLNNX-VIFPVBQESA-N 0 0 383.217 3.752 20 10 GHCDRN Cc1cc(CC(=O)OCCCCS(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000759874180 840283586 /nfs/dbraw/zinc/28/35/86/840283586.db2.gz TZULEXQTBKXMKW-UHFFFAOYSA-N 0 0 397.924 3.658 20 10 GHCDRN O=S(=O)(NCc1ccc(N2CCCC2)cc1)C1=Cc2ccccc2OCC1 ZINC000186272189 840374879 /nfs/dbraw/zinc/37/48/79/840374879.db2.gz RRIVJONLFVYFRC-UHFFFAOYSA-N 0 0 384.501 3.530 20 10 GHCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccnc(OCC(F)F)c1 ZINC000759897191 840390434 /nfs/dbraw/zinc/39/04/34/840390434.db2.gz OIYCOLCUQXAFTJ-UHFFFAOYSA-N 0 0 395.369 3.688 20 10 GHCDRN CC(C)Oc1ccc(N(C)CC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000759915655 840473415 /nfs/dbraw/zinc/47/34/15/840473415.db2.gz RCTMFAQVPZYPHR-UHFFFAOYSA-N 0 0 377.488 3.976 20 10 GHCDRN C[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)c1cc(Br)cc(Cl)c1[O-] ZINC000756516020 840656665 /nfs/dbraw/zinc/65/66/65/840656665.db2.gz HJAIBOBICAWLQP-SECBINFHSA-N 0 0 393.709 3.983 20 10 GHCDRN COc1ccc(N2CCCN([C@@H](C)C(=O)c3[nH]c(C)c(C(C)=O)c3C)CC2)cc1 ZINC000053773967 840720641 /nfs/dbraw/zinc/72/06/41/840720641.db2.gz YBJIICITQUZKHA-KRWDZBQOSA-N 0 0 397.519 3.626 20 10 GHCDRN CCO[C@H]1C[C@H](N(C)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1(C)C ZINC000178640012 844586510 /nfs/dbraw/zinc/58/65/10/844586510.db2.gz PBSZNUJHYARUPH-PMACEKPBSA-N 0 0 389.540 3.509 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000588404590 840961984 /nfs/dbraw/zinc/96/19/84/840961984.db2.gz YRSAYAJWVFFUAH-KXFIGUGUSA-N 0 0 390.892 3.956 20 10 GHCDRN Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc(Cl)n1 ZINC000124438753 840976033 /nfs/dbraw/zinc/97/60/33/840976033.db2.gz WSZNOBXVXXAGBQ-LJQANCHMSA-N 0 0 387.911 3.931 20 10 GHCDRN CCC(CC)NC(=O)[C@@H]1CN(C(=O)/C=C/c2cncc(C)c2)c2ccccc2O1 ZINC000124587263 841002169 /nfs/dbraw/zinc/00/21/69/841002169.db2.gz DFVJWILIXXRWCO-ZJVMWOEPSA-N 0 0 393.487 3.502 20 10 GHCDRN CCN(CC)c1ccc(C[NH2+]CCCc2nc(C)c(C(=O)[O-])s2)cc1F ZINC000277072876 844602932 /nfs/dbraw/zinc/60/29/32/844602932.db2.gz VQAGTNLSTAYWOI-UHFFFAOYSA-N 0 0 379.501 3.857 20 10 GHCDRN Cc1cc(C(=O)OCc2cc(=O)n3ccccc3n2)c(C)n1-c1ccccc1C ZINC000014762966 841158770 /nfs/dbraw/zinc/15/87/70/841158770.db2.gz MHHFLTXRXIFTEW-UHFFFAOYSA-N 0 0 387.439 3.767 20 10 GHCDRN CO[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)c1ccccc1 ZINC000162524396 841279001 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O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCC2(CCC2)C1 ZINC000160953336 841706321 /nfs/dbraw/zinc/70/63/21/841706321.db2.gz DLXAQRYIOLDEGI-UHFFFAOYSA-N 0 0 397.441 3.628 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)NCc1ccc(OCc2ccccn2)cc1 ZINC000123474232 841777938 /nfs/dbraw/zinc/77/79/38/841777938.db2.gz HGSBSLDOVRVZOG-UHFFFAOYSA-N 0 0 377.444 3.708 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)COc3ccc(F)cc3Cl)CC2)cc1 ZINC000171018177 861242389 /nfs/dbraw/zinc/24/23/89/861242389.db2.gz MXFHZGHKCYRHJY-UHFFFAOYSA-N 0 0 392.858 3.652 20 10 GHCDRN Cc1[nH]c2ccccc2c1CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000024634022 841800552 /nfs/dbraw/zinc/80/05/52/841800552.db2.gz FUMPUNMOLMRBRJ-UHFFFAOYSA-N 0 0 377.488 3.514 20 10 GHCDRN Cc1cc(C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)c(C)n1-c1ccccn1 ZINC000730796431 861272275 /nfs/dbraw/zinc/27/22/75/861272275.db2.gz FESSZNANNIPNDR-KRWDZBQOSA-N 0 0 398.507 3.618 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000054035433 842209176 /nfs/dbraw/zinc/20/91/76/842209176.db2.gz 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20 10 GHCDRN COc1nc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)cc2ccccc21 ZINC001129973118 883395797 /nfs/dbraw/zinc/39/57/97/883395797.db2.gz BHSJSZJAASJIRZ-MRXNPFEDSA-N 0 0 377.488 3.979 20 10 GHCDRN COCCn1c(C)c(C)c2cc(-c3nc([C@@H](C)c4cnccn4)no3)ccc21 ZINC000858844616 883396854 /nfs/dbraw/zinc/39/68/54/883396854.db2.gz ZVQLEIHOVRJTLQ-AWEZNQCLSA-N 0 0 377.448 3.896 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001129973287 883397425 /nfs/dbraw/zinc/39/74/25/883397425.db2.gz GEHRORQCMQXZPO-QGTPRVQTSA-N 0 0 386.458 3.998 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cncc(Br)c1 ZINC001129974794 883398063 /nfs/dbraw/zinc/39/80/63/883398063.db2.gz SCPHVCXEQPGAKO-ZDUSSCGKSA-N 0 0 376.298 3.580 20 10 GHCDRN C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1cc(Br)cc(F)c1[O-] ZINC000184955779 883407813 /nfs/dbraw/zinc/40/78/13/883407813.db2.gz HUZOGTRMSHAIPS-LLVKDONJSA-N 0 0 397.292 3.505 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)[C@@H](C)c2ccccc2)cc1F ZINC000804853523 883435941 /nfs/dbraw/zinc/43/59/41/883435941.db2.gz ZWZRGDHVGKGZSF-SJORKVTESA-N 0 0 399.510 3.597 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)OCc1ccc(Cl)cc1 ZINC000858909683 883450305 /nfs/dbraw/zinc/45/03/05/883450305.db2.gz FWZMEZROFQYECH-UHFFFAOYSA-N 0 0 378.831 3.742 20 10 GHCDRN O=C(NCCc1ccc(Cl)s1)NCc1cc(Br)ccc1O ZINC000804920626 883450922 /nfs/dbraw/zinc/45/09/22/883450922.db2.gz KOANYKULACKFSS-UHFFFAOYSA-N 0 0 389.702 3.912 20 10 GHCDRN COc1c(F)cc(F)cc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000761686179 883479405 /nfs/dbraw/zinc/47/94/05/883479405.db2.gz MBKKFTKYLWAXNS-HNNXBMFYSA-N 0 0 392.402 3.892 20 10 GHCDRN C[NH+](C)CC[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1[O-])C(C)(C)C ZINC000805128113 883610454 /nfs/dbraw/zinc/61/04/54/883610454.db2.gz ZARMZFDOUBBMNL-CQSZACIVSA-N 0 0 376.328 3.865 20 10 GHCDRN COc1cc(CCNC(=O)NCc2cc(Br)ccc2O)ccc1C ZINC000805148206 883625533 /nfs/dbraw/zinc/62/55/33/883625533.db2.gz WELPIYJCMXRVKG-UHFFFAOYSA-N 0 0 393.281 3.514 20 10 GHCDRN Cc1ccc(CC[C@@H](C)NC(=O)NCc2cc(Br)ccc2O)o1 ZINC000805156205 883634444 /nfs/dbraw/zinc/63/44/44/883634444.db2.gz LWUGJYGSHZTLAE-LLVKDONJSA-N 0 0 381.270 3.877 20 10 GHCDRN Cc1ccc(CC[C@H](C)NC(=O)NCc2cc(Br)ccc2O)o1 ZINC000805156206 883634582 /nfs/dbraw/zinc/63/45/82/883634582.db2.gz LWUGJYGSHZTLAE-NSHDSACASA-N 0 0 381.270 3.877 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC[C@@H](n2ccnc2)C1 ZINC000859181531 883642932 /nfs/dbraw/zinc/64/29/32/883642932.db2.gz OKDASSLVCSGOIH-LJQANCHMSA-N 0 0 376.460 3.580 20 10 GHCDRN NC(=O)C1CCN(c2cccc(NC(=O)c3ccc4sccc4c3)c2)CC1 ZINC000760558568 883659457 /nfs/dbraw/zinc/65/94/57/883659457.db2.gz AJVCIESHSGAKDE-UHFFFAOYSA-N 0 0 379.485 3.855 20 10 GHCDRN C[N@@H+]1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])[C@@H]1c1ccccc1 ZINC000805235607 883679771 /nfs/dbraw/zinc/67/97/71/883679771.db2.gz DMUYOPSEYFJYQQ-SJORKVTESA-N 0 0 394.302 3.944 20 10 GHCDRN CCc1nc(CNC(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)cs1 ZINC000859274969 883711356 /nfs/dbraw/zinc/71/13/56/883711356.db2.gz YSUCEWJNWMXYPL-UHFFFAOYSA-N 0 0 381.501 3.784 20 10 GHCDRN CCn1cc(CN(C)C(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)cn1 ZINC000859389002 883789155 /nfs/dbraw/zinc/78/91/55/883789155.db2.gz ZSAWLQVHSHKTDX-UHFFFAOYSA-N 0 0 378.476 3.704 20 10 GHCDRN C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C1 ZINC000175449992 883809959 /nfs/dbraw/zinc/80/99/59/883809959.db2.gz SRJBRIKNGZOYMM-CHWSQXEVSA-N 0 0 392.411 3.631 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCOC[C@H]2c2ccco2)cc1 ZINC000859441973 883816190 /nfs/dbraw/zinc/81/61/90/883816190.db2.gz JJMUUUMHHBLPID-NRFANRHFSA-N 0 0 392.455 3.642 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCCC[C@@H]2c2ncon2)c1 ZINC000859484556 883843828 /nfs/dbraw/zinc/84/38/28/883843828.db2.gz KSFBOGAIYQWGHD-LJQANCHMSA-N 0 0 378.432 3.657 20 10 GHCDRN CC1CCN(c2cccc(NC(=O)c3ccc(Cn4ccnn4)cc3)c2)CC1 ZINC000859512144 883861497 /nfs/dbraw/zinc/86/14/97/883861497.db2.gz JAXASPOIPDPPDQ-UHFFFAOYSA-N 0 0 375.476 3.815 20 10 GHCDRN O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NCCCC1CC1 ZINC001130254372 883899139 /nfs/dbraw/zinc/89/91/39/883899139.db2.gz UQTOFPAZGCMFRV-VBKFSLOCSA-N 0 0 392.521 3.723 20 10 GHCDRN CC1(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)CC=CC1 ZINC001130325376 884000823 /nfs/dbraw/zinc/00/08/23/884000823.db2.gz KSBMAPUIPYHTOE-QINSGFPZSA-N 0 0 390.505 3.642 20 10 GHCDRN Cc1cc(C(=O)NCc2ccc(-n3cncn3)cc2)c(C)n1-c1cccc(C)c1 ZINC000918591410 884023157 /nfs/dbraw/zinc/02/31/57/884023157.db2.gz MWXQGNFDDHYNAB-UHFFFAOYSA-N 0 0 385.471 3.913 20 10 GHCDRN CCCN(CCO)C(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000914534970 884060739 /nfs/dbraw/zinc/06/07/39/884060739.db2.gz VTCKZXJOALYHMA-UHFFFAOYSA-N 0 0 379.298 3.701 20 10 GHCDRN CC[C@@H](NC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1)C1CCOCC1 ZINC000859787036 884062369 /nfs/dbraw/zinc/06/23/69/884062369.db2.gz RHRMKLPPPHOVDX-JOCHJYFZSA-N 0 0 382.504 3.771 20 10 GHCDRN O=C([O-])[C@H]1CC12CC[NH+](Cc1ccc3c(c1)CCN3Cc1ccccc1)CC2 ZINC000859806492 884080442 /nfs/dbraw/zinc/08/04/42/884080442.db2.gz BKTQLYXCVMYAQH-OAQYLSRUSA-N 0 0 376.500 3.936 20 10 GHCDRN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCCC[C@H]2CC(C)C)c1 ZINC000757615432 884104025 /nfs/dbraw/zinc/10/40/25/884104025.db2.gz UXHIZAQSCVDWBW-QFIPXVFZSA-N 0 0 388.552 3.828 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)NCCc2ccncc2C)CCCC1 ZINC001127309044 884114338 /nfs/dbraw/zinc/11/43/38/884114338.db2.gz YTQDWFYKMLGJGZ-UHFFFAOYSA-N 0 0 377.488 3.591 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000918657462 884126187 /nfs/dbraw/zinc/12/61/87/884126187.db2.gz DBZKUJIQXHAYHP-UHFFFAOYSA-N 0 0 381.436 3.588 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](C)NC(=O)c1ccccc1 ZINC000918657770 884126250 /nfs/dbraw/zinc/12/62/50/884126250.db2.gz HMEDNUYNSWXVKY-SFHVURJKSA-N 0 0 381.520 3.698 20 10 GHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191685730 884212696 /nfs/dbraw/zinc/21/26/96/884212696.db2.gz BWISFPFGCIFGQK-UHFFFAOYSA-N 0 0 392.834 3.628 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H]2C(=O)NCc2ccco2)cc1 ZINC000914582514 884253199 /nfs/dbraw/zinc/25/31/99/884253199.db2.gz STONQLSMCFNQHI-NRFANRHFSA-N 0 0 391.471 3.608 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)c1 ZINC000860043093 884285351 /nfs/dbraw/zinc/28/53/51/884285351.db2.gz NWULWVASKABUEB-OPAMFIHVSA-N 0 0 390.487 3.826 20 10 GHCDRN Nc1ccc(CCNC(=O)N2CCC(c3noc4cc(F)ccc43)CC2)cc1 ZINC000841956267 884292272 /nfs/dbraw/zinc/29/22/72/884292272.db2.gz AGUYDRPAVGVVGA-UHFFFAOYSA-N 0 0 382.439 3.681 20 10 GHCDRN C[C@H](NC(=O)OCc1ccccc1)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000747297820 884298270 /nfs/dbraw/zinc/29/82/70/884298270.db2.gz NFCYERMAOFQRIN-KRWDZBQOSA-N 0 0 395.503 3.559 20 10 GHCDRN Cc1cc(C(=O)OCC(=O)Nc2ccc(C)cc2C)c(C)n1-c1ccccn1 ZINC000914613570 884349747 /nfs/dbraw/zinc/34/97/47/884349747.db2.gz HPNQGTIHDIXESC-UHFFFAOYSA-N 0 0 377.444 3.901 20 10 GHCDRN Cc1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccccn1 ZINC000914614294 884353831 /nfs/dbraw/zinc/35/38/31/884353831.db2.gz YAWXNSCCESCLTP-UHFFFAOYSA-N 0 0 383.835 3.938 20 10 GHCDRN C[C@@H](CN(C)C)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000806169569 884390887 /nfs/dbraw/zinc/39/08/87/884390887.db2.gz HNRMIAOHPWTVSD-IUCAKERBSA-N 0 0 380.124 3.518 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC000806175106 884397610 /nfs/dbraw/zinc/39/76/10/884397610.db2.gz UYUNICDIJXUGGO-APPDUMDISA-N 0 0 383.366 3.582 20 10 GHCDRN CC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1cccc(Cl)c1[O-] ZINC000806146865 884406280 /nfs/dbraw/zinc/40/62/80/884406280.db2.gz RKOMDKKJKPJBCP-MOPGFXCFSA-N 0 0 388.895 3.896 20 10 GHCDRN CC[C@H](Nc1cccc2c1CCN2S(C)(=O)=O)c1cccc(Cl)c1O ZINC000806158405 884414468 /nfs/dbraw/zinc/41/44/68/884414468.db2.gz LPPGQGZTISIBIE-HNNXBMFYSA-N 0 0 380.897 3.931 20 10 GHCDRN Nc1ccc2c(c1)CCC[C@@H]2NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000841979565 884446815 /nfs/dbraw/zinc/44/68/15/884446815.db2.gz YVYKFXZRMQACOZ-CTNGQTDRSA-N 0 0 395.503 3.743 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NC1CC2(C1)CO[C@@H](C)C2 ZINC000897818874 884476925 /nfs/dbraw/zinc/47/69/25/884476925.db2.gz SXKYTMLFFMKEEG-RTYYOJRZSA-N 0 0 397.313 3.644 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)Nc1cc(F)c(F)c(F)c1 ZINC000806298669 884542264 /nfs/dbraw/zinc/54/22/64/884542264.db2.gz MPOYYFBGIAGFNA-UHFFFAOYSA-N 0 0 375.144 3.894 20 10 GHCDRN C[NH+](C)[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-])c1cccs1 ZINC000806299664 884543538 /nfs/dbraw/zinc/54/35/38/884543538.db2.gz DUMWSGOFFNBXTB-CYBMUJFWSA-N 0 0 388.320 3.863 20 10 GHCDRN C[NH+](C)[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-])c1ccccc1 ZINC000806288625 884567737 /nfs/dbraw/zinc/56/77/37/884567737.db2.gz RFJISDILIYUUKQ-MRXNPFEDSA-N 0 0 382.291 3.801 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000860339706 884576505 /nfs/dbraw/zinc/57/65/05/884576505.db2.gz JTASLQGPCGXXOY-RTBURBONSA-N 0 0 380.488 3.795 20 10 GHCDRN Cc1ccccc1CO[C@H](C)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000860347602 884582366 /nfs/dbraw/zinc/58/23/66/884582366.db2.gz QJDZUEKPUZHTQM-WIYYLYMNSA-N 0 0 383.488 3.814 20 10 GHCDRN Cc1cc(NC(=O)NCc2cc(Br)ccc2O)cc2n[nH]cc21 ZINC000806379592 884618919 /nfs/dbraw/zinc/61/89/19/884618919.db2.gz VDEIKBRYMUHFFS-UHFFFAOYSA-N 0 0 375.226 3.661 20 10 GHCDRN CC(C)(C)OC(=O)NC1CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000154868584 884711263 /nfs/dbraw/zinc/71/12/63/884711263.db2.gz ZKRBNDVPACOECC-UHFFFAOYSA-N 0 0 385.302 3.644 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCCCSc2nccs2)CC1 ZINC000843796770 884719663 /nfs/dbraw/zinc/71/96/63/884719663.db2.gz OCOXUQHWNBGTJF-AWEZNQCLSA-N 0 0 399.582 3.779 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H](C)c2nnc(C(C)C)[nH]2)cc1 ZINC000860485753 884728195 /nfs/dbraw/zinc/72/81/95/884728195.db2.gz GUQSWMYWCFXVGH-HNNXBMFYSA-N 0 0 393.491 3.568 20 10 GHCDRN Cc1cc(CC(=O)OCc2ccn(C)c(=O)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000919011920 884753223 /nfs/dbraw/zinc/75/32/23/884753223.db2.gz QREHXRITJAFMOC-UHFFFAOYSA-N 0 0 384.863 3.732 20 10 GHCDRN CCc1cc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1F ZINC000806559820 884813099 /nfs/dbraw/zinc/81/30/99/884813099.db2.gz GDPUKESXPJCETN-UHFFFAOYSA-N 0 0 385.483 3.919 20 10 GHCDRN C[C@H](CN(C(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H](C)CO)c1ccccc1 ZINC000806634505 884887663 /nfs/dbraw/zinc/88/76/63/884887663.db2.gz LJDKLYIQWKAGIR-SJORKVTESA-N 0 0 387.499 3.588 20 10 GHCDRN Cc1cc(CNC(=O)Nc2cnn(C[C@H]3CCCO3)c2)c(C)n1-c1ccccc1 ZINC000860685579 884913266 /nfs/dbraw/zinc/91/32/66/884913266.db2.gz RYQWJBTYYCXEGC-OAQYLSRUSA-N 0 0 393.491 3.791 20 10 GHCDRN COc1cc(CN(C)C(=O)c2cc(C)n(-c3ccccn3)c2C)cc(OC)c1 ZINC000914848095 884935316 /nfs/dbraw/zinc/93/53/16/884935316.db2.gz IDPGFMDCZAPVOU-UHFFFAOYSA-N 0 0 379.460 3.779 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC([C@@H]2CCOC2)CC1 ZINC000860748861 884968695 /nfs/dbraw/zinc/96/86/95/884968695.db2.gz MPVKKNBUGJWEBU-LJQANCHMSA-N 0 0 380.488 3.795 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@]2(C)CC(c3ccccc3Cl)=NO2)c1 ZINC000806793245 884990374 /nfs/dbraw/zinc/99/03/74/884990374.db2.gz RDBMZDRWDVDWGX-YUNKPMOVSA-N 0 0 388.851 3.815 20 10 GHCDRN O=C(C[C@H]1CCOc2ccccc21)NCc1ccc(N2CCSCC2)cc1 ZINC000117759100 885017004 /nfs/dbraw/zinc/01/70/04/885017004.db2.gz MAXMKIOUZZXMKN-GOSISDBHSA-N 0 0 382.529 3.812 20 10 GHCDRN Cc1cc(C)c(CNC(=O)Cc2[nH]nc3cc(Br)ccc32)c(O)c1 ZINC001183932084 912890087 /nfs/dbraw/zinc/89/00/87/912890087.db2.gz LPFSMMXYRPCJIW-UHFFFAOYSA-N 0 0 388.265 3.507 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3cccc4[nH]ccc43)cc2F)C[C@@H](C)O1 ZINC000747361513 885059476 /nfs/dbraw/zinc/05/94/76/885059476.db2.gz OZTRXTKRCHDRQU-HUUCEWRRSA-N 0 0 381.451 3.851 20 10 GHCDRN COC(=O)c1ccc(CN(Cc2ccc(C(=O)OC)o2)c2ccc(OC)cc2)o1 ZINC000914869016 885068128 /nfs/dbraw/zinc/06/81/28/885068128.db2.gz TZUMXMZFRPOCIQ-UHFFFAOYSA-N 0 0 399.399 3.661 20 10 GHCDRN Cc1csc([C@H](NC(=O)NCc2cc(Br)ccc2O)C2CC2)n1 ZINC000806865505 885068528 /nfs/dbraw/zinc/06/85/28/885068528.db2.gz AKXDEXZIPOQDDI-CQSZACIVSA-N 0 0 396.310 3.870 20 10 GHCDRN CC1(C)CCCC[C@H]1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000806877307 885076887 /nfs/dbraw/zinc/07/68/87/885076887.db2.gz TULHPACRCVSNNF-LJQANCHMSA-N 0 0 384.476 3.599 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])cn2)c(C)n1-c1cccc(C)c1 ZINC000761979957 885084213 /nfs/dbraw/zinc/08/42/13/885084213.db2.gz LIJMFQVLEXOGLA-UHFFFAOYSA-N 0 0 393.399 3.745 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000761982442 885085971 /nfs/dbraw/zinc/08/59/71/885085971.db2.gz LJAOOGNPOJCLGY-NSHDSACASA-N 0 0 394.811 3.609 20 10 GHCDRN Cc1cc(C(=O)O[C@H](C)C(=O)NCC2CCCCC2)c(C)n1-c1ccccn1 ZINC000914907181 885145033 /nfs/dbraw/zinc/14/50/33/885145033.db2.gz SFMPSXUFPVWXRH-QGZVFWFLSA-N 0 0 383.492 3.731 20 10 GHCDRN C[C@@H](NC(=O)C(=O)Nc1csc(-c2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000806988852 885147076 /nfs/dbraw/zinc/14/70/76/885147076.db2.gz XVTZDMTXRQRTKR-CQSZACIVSA-N 0 0 394.500 3.692 20 10 GHCDRN CCS[C@H]1CCC[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000762000621 885155631 /nfs/dbraw/zinc/15/56/31/885155631.db2.gz MMGNTOPDWPURJJ-CABCVRRESA-N 0 0 382.913 3.874 20 10 GHCDRN COc1ccc2cc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)ccc2c1 ZINC000806985945 885168238 /nfs/dbraw/zinc/16/82/38/885168238.db2.gz FKYOMTUXZBOGGT-HNNXBMFYSA-N 0 0 391.471 3.730 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)OCc2cc(C)nnc2C)CCCC1 ZINC000861056834 885205843 /nfs/dbraw/zinc/20/58/43/885205843.db2.gz QWLQPZHZBDSGEP-UHFFFAOYSA-N 0 0 379.460 3.679 20 10 GHCDRN CCCN(C(=O)C(=O)NCc1ccc(N(C)C)cc1C)[C@H]1CCc2ccccc21 ZINC000807100136 885240984 /nfs/dbraw/zinc/24/09/84/885240984.db2.gz KSYXAKOKYMSCIQ-QFIPXVFZSA-N 0 0 393.531 3.603 20 10 GHCDRN Cc1cc(CCNC(=O)NCc2cc(Br)ccc2O)cc(C)c1O ZINC000807167339 885273894 /nfs/dbraw/zinc/27/38/94/885273894.db2.gz XZIPIGKSRBUHIP-UHFFFAOYSA-N 0 0 393.281 3.519 20 10 GHCDRN Cc1ccc(CNC(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)cc1F ZINC000807272138 885334738 /nfs/dbraw/zinc/33/47/38/885334738.db2.gz COLPWGLRKFIRAP-UHFFFAOYSA-N 0 0 383.511 3.873 20 10 GHCDRN Cc1ccc([C@@H](C)N(C)C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c(C)c1 ZINC000807291140 885345150 /nfs/dbraw/zinc/34/51/50/885345150.db2.gz SRGOJAQCABVUFP-LJQANCHMSA-N 0 0 391.515 3.515 20 10 GHCDRN Cc1cc(CC(=O)NCCc2csc(=O)[nH]2)c(C)n1-c1ccc(Cl)cc1 ZINC000807372840 885403930 /nfs/dbraw/zinc/40/39/30/885403930.db2.gz MMVNUSXVQSZCFW-UHFFFAOYSA-N 0 0 389.908 3.811 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC[C@H](c3nccn3C)C2)c1 ZINC000861349305 885422252 /nfs/dbraw/zinc/42/22/52/885422252.db2.gz JXABIDXHIKAWKR-IBGZPJMESA-N 0 0 390.487 3.660 20 10 GHCDRN COc1cccnc1CC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000807476700 885502964 /nfs/dbraw/zinc/50/29/64/885502964.db2.gz JTQBGJIFOMWGHE-OAHLLOKOSA-N 0 0 387.911 3.839 20 10 GHCDRN C[C@@H](NC(=O)C(=O)N(C)Cc1ccc2ccccc2c1)c1ccc(N(C)C)cc1 ZINC000807671861 885623049 /nfs/dbraw/zinc/62/30/49/885623049.db2.gz UDFPVDYWNQBBGB-QGZVFWFLSA-N 0 0 389.499 3.742 20 10 GHCDRN C[C@@H](NC(=O)C(=O)N(Cc1ccccc1)[C@@H](C)C1CC1)c1ccc(N(C)C)cc1 ZINC000807673145 885623312 /nfs/dbraw/zinc/62/33/12/885623312.db2.gz OKEUMLJSBHNYCO-MSOLQXFVSA-N 0 0 393.531 3.757 20 10 GHCDRN CCCN(Cc1ccc(C)cc1)C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807675053 885624290 /nfs/dbraw/zinc/62/42/90/885624290.db2.gz UCMRTAXJYULEIC-GOSISDBHSA-N 0 0 381.520 3.677 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000861588511 885670260 /nfs/dbraw/zinc/67/02/60/885670260.db2.gz HCEYJHZDMRJQKX-FCHUYYIVSA-N 0 0 380.488 3.619 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC3(CCOCC3)CC2)cc1 ZINC000861596234 885677041 /nfs/dbraw/zinc/67/70/41/885677041.db2.gz QCWXYBMIWLUWEW-UHFFFAOYSA-N 0 0 394.515 3.868 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCc2cnc3n2CCCC3)ccc1C ZINC000861600797 885682837 /nfs/dbraw/zinc/68/28/37/885682837.db2.gz RPJBFNNFWMAMDR-UHFFFAOYSA-N 0 0 390.487 3.678 20 10 GHCDRN CCOc1cc(Br)ccc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000154985278 885696894 /nfs/dbraw/zinc/69/68/94/885696894.db2.gz ZKJZAAXWLZNEDV-UHFFFAOYSA-N 0 0 395.253 3.623 20 10 GHCDRN Cc1ccc(CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(Cl)c1 ZINC000762235911 885810412 /nfs/dbraw/zinc/81/04/12/885810412.db2.gz YUUYIAFUTQSNPQ-UHFFFAOYSA-N 0 0 390.886 3.608 20 10 GHCDRN CCOC(=O)c1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000915125641 885832184 /nfs/dbraw/zinc/83/21/84/885832184.db2.gz KMHUOECKBNTOKS-UHFFFAOYSA-N 0 0 383.517 3.950 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000762247352 885842655 /nfs/dbraw/zinc/84/26/55/885842655.db2.gz GTYFEVSNWSNFQI-QGZVFWFLSA-N 0 0 385.533 3.677 20 10 GHCDRN COc1cc(N2CCN(Cc3cc(F)cc(Cl)c3)CC2)cc(OC)c1OC ZINC000777222893 885899236 /nfs/dbraw/zinc/89/92/36/885899236.db2.gz TZUYRNWIWRQJFI-UHFFFAOYSA-N 0 0 394.874 3.827 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)c1c([N+](=O)[O-])nc(C)n1CC ZINC000807999094 885920321 /nfs/dbraw/zinc/92/03/21/885920321.db2.gz YFLSIYLFTRJAGZ-UHFFFAOYSA-N 0 0 383.246 3.614 20 10 GHCDRN COc1ccc(-c2nnc(SCC(=O)C(C)=O)n2-c2ccc(C)cc2)cc1 ZINC000808013282 885937832 /nfs/dbraw/zinc/93/78/32/885937832.db2.gz VDBIKKSQDJFVLX-UHFFFAOYSA-N 0 0 381.457 3.502 20 10 GHCDRN CCOc1ccc(-n2c(SCC(=O)C(C)=O)nnc2-c2ccccc2)cc1 ZINC000808014914 885938113 /nfs/dbraw/zinc/93/81/13/885938113.db2.gz YERQSGGLVHRUAY-UHFFFAOYSA-N 0 0 381.457 3.583 20 10 GHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000808093645 886010164 /nfs/dbraw/zinc/01/01/64/886010164.db2.gz RRCCZHWKDJQKFE-GOSISDBHSA-N 0 0 391.483 3.688 20 10 GHCDRN Cc1cc(C(=O)NCc2ccc3cccnc3c2O)c(C)n1CC(F)(F)F ZINC000862028535 886065195 /nfs/dbraw/zinc/06/51/95/886065195.db2.gz CBKBLOTZLYEPLC-UHFFFAOYSA-N 0 0 377.366 3.851 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cccc([N+](=O)[O-])c3Cl)C2)cc1 ZINC000862035624 886070770 /nfs/dbraw/zinc/07/07/70/886070770.db2.gz ZRNCPHFIAKJZJZ-CYBMUJFWSA-N 0 0 389.839 3.513 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000862039538 886073777 /nfs/dbraw/zinc/07/37/77/886073777.db2.gz FXASDCDUHKWMCM-TYCQWZJGSA-N 0 0 399.874 3.523 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)Cc1coc2ccc(C)cc12 ZINC000862039609 886073827 /nfs/dbraw/zinc/07/38/27/886073827.db2.gz IHLMVHDFTPPWPK-UHFFFAOYSA-N 0 0 381.428 3.581 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC[C@@H](c3cccnc3)C2)cc1 ZINC000862095075 886099259 /nfs/dbraw/zinc/09/92/59/886099259.db2.gz UJDPPJIXFHMRQL-OAQYLSRUSA-N 0 0 387.483 3.860 20 10 GHCDRN Cc1noc([C@@H](C)N(C)C(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)n1 ZINC000862144665 886155617 /nfs/dbraw/zinc/15/56/17/886155617.db2.gz DEUVFHZKRHUARM-OAHLLOKOSA-N 0 0 380.448 3.740 20 10 GHCDRN COCC1(C2CCC2)CN(C(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)C1 ZINC000862178693 886194124 /nfs/dbraw/zinc/19/41/24/886194124.db2.gz QDIDAABUBBSAHG-UHFFFAOYSA-N 0 0 394.515 3.724 20 10 GHCDRN Cc1c2cc(C)ccc2[nH]c1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000153541634 886212809 /nfs/dbraw/zinc/21/28/09/886212809.db2.gz KCIKBBUDRDRSJM-UHFFFAOYSA-N 0 0 391.515 3.923 20 10 GHCDRN CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1c(O)cccc1Br ZINC000862224301 886221806 /nfs/dbraw/zinc/22/18/06/886221806.db2.gz JDJYBFMIAZKZDP-UHFFFAOYSA-N 0 0 389.293 3.679 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC(C)(C)[C@@H]1c1cnn(C)c1 ZINC000862248524 886249495 /nfs/dbraw/zinc/24/94/95/886249495.db2.gz MAHFPOMJHWWRRN-NRFANRHFSA-N 0 0 390.487 3.863 20 10 GHCDRN Cc1cc(CC(=O)N2CC[S@](=O)C[C@H](C)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000762539809 886356520 /nfs/dbraw/zinc/35/65/20/886356520.db2.gz SBTZFXGZWICXEI-PTFIGZPYSA-N 0 0 392.952 3.517 20 10 GHCDRN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000808451110 886362589 /nfs/dbraw/zinc/36/25/89/886362589.db2.gz FCLOCVFRUKYBET-SHTZXODSSA-N 0 0 393.484 3.721 20 10 GHCDRN Fc1cc(CN[C@@H](c2nccs2)C(F)(F)F)ccc1N1CCOCC1 ZINC000862432114 886374244 /nfs/dbraw/zinc/37/42/44/886374244.db2.gz RVGOPHDVJCLUFX-AWEZNQCLSA-N 0 0 375.391 3.512 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000919816013 886410881 /nfs/dbraw/zinc/41/08/81/886410881.db2.gz YEWIYNMSTLWPTO-ZDUSSCGKSA-N 0 0 393.270 3.711 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)CCc3cccn3C)ccc21 ZINC000460448594 886440817 /nfs/dbraw/zinc/44/08/17/886440817.db2.gz IHQBQDHWYHHNKI-MRXNPFEDSA-N 0 0 381.520 3.994 20 10 GHCDRN Nc1ccc(NC(=O)Nc2ccc(NC(=O)[C@H]3CCCC[C@@H]3CO)cc2)cc1 ZINC001184158850 913053174 /nfs/dbraw/zinc/05/31/74/913053174.db2.gz FDEUBHGKHNSOFC-KUHUBIRLSA-N 0 0 382.464 3.650 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2C)c1 ZINC000862754331 886584231 /nfs/dbraw/zinc/58/42/31/886584231.db2.gz AKNSOIQZGWHXES-LJQANCHMSA-N 0 0 384.476 3.891 20 10 GHCDRN O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N(C1CC1)C1CC1 ZINC000862852491 886705716 /nfs/dbraw/zinc/70/57/16/886705716.db2.gz LPTGZRASHGYFFX-RVDMUPIBSA-N 0 0 392.571 3.883 20 10 GHCDRN Cc1cc(CSc2ccccc2C(=O)N2CCS[C@H]3COCC[C@@H]32)on1 ZINC000125201743 886839138 /nfs/dbraw/zinc/83/91/38/886839138.db2.gz COJNHACTPVBHHQ-WMZOPIPTSA-N 0 0 390.530 3.622 20 10 GHCDRN Cc1sc(Cl)nc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000762842370 886865703 /nfs/dbraw/zinc/86/57/03/886865703.db2.gz QSCOUFNTJQDHSI-MRXNPFEDSA-N 0 0 393.940 3.992 20 10 GHCDRN Cc1cc(CNC(=O)c2cnc(C3OCCO3)s2)c(C)n1-c1cccc(C)c1 ZINC000863161269 886896982 /nfs/dbraw/zinc/89/69/82/886896982.db2.gz AZNQQGYMPATBAF-UHFFFAOYSA-N 0 0 397.500 3.834 20 10 GHCDRN Cc1cc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)n(C2CCOCC2)n1 ZINC000863162696 886899141 /nfs/dbraw/zinc/89/91/41/886899141.db2.gz VODDRCMGEHJAAF-UHFFFAOYSA-N 0 0 392.503 3.881 20 10 GHCDRN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cn(C)nc1Br ZINC000863180467 886906753 /nfs/dbraw/zinc/90/67/53/886906753.db2.gz OMFZZBUAMLELTM-POHAHGRESA-N 0 0 391.294 3.515 20 10 GHCDRN Cc1cc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cnc1Cl ZINC000119326503 886919342 /nfs/dbraw/zinc/91/93/42/886919342.db2.gz DAZKWOXIRQMTGD-UHFFFAOYSA-N 0 0 388.899 3.574 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N(C)CCc2ncc(C)s2)cc1F ZINC000119374483 886991042 /nfs/dbraw/zinc/99/10/42/886991042.db2.gz KSLVWNLWEXIVAN-UHFFFAOYSA-N 0 0 378.517 3.821 20 10 GHCDRN C[C@@H](NC(=O)Cc1cc(-c2ccccc2)on1)c1ccc(N2CCOCC2)cc1 ZINC000119377239 886994012 /nfs/dbraw/zinc/99/40/12/886994012.db2.gz RGEQBKHMWTUFQC-QGZVFWFLSA-N 0 0 391.471 3.598 20 10 GHCDRN C/C=C/C[C@@H]1CCC[N@H+](Cc2cc(C(C)=O)cc(CN3CCOCC3)c2[O-])C1 ZINC000863340241 887044463 /nfs/dbraw/zinc/04/44/63/887044463.db2.gz MCYBSTPTMTZDJS-GNAXCBTBSA-N 0 0 386.536 3.605 20 10 GHCDRN C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1cccc(O)c1O ZINC000863368922 887063361 /nfs/dbraw/zinc/06/33/61/887063361.db2.gz OJHRNUFMLFCTCY-AAEUAGOBSA-N 0 0 376.250 3.879 20 10 GHCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CC1(C(F)(F)F)CCCC1 ZINC000863534762 887199451 /nfs/dbraw/zinc/19/94/51/887199451.db2.gz QHNLZNBBJXKRHO-UHFFFAOYSA-N 0 0 390.789 3.933 20 10 GHCDRN C[C@@H](C(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1)c1ccc(O)cc1 ZINC001184280592 913131185 /nfs/dbraw/zinc/13/11/85/913131185.db2.gz GFBMLASGGNHIKH-CQSZACIVSA-N 0 0 394.393 3.743 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cnn(C(C)C)c1 ZINC000747554772 887328695 /nfs/dbraw/zinc/32/86/95/887328695.db2.gz GHNXHQJMXUJYGV-UHFFFAOYSA-N 0 0 381.274 3.986 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)c2cc(-c3ccccc3O)n[nH]2)C2CC2)cc1 ZINC000863857208 887416810 /nfs/dbraw/zinc/41/68/10/887416810.db2.gz ISBJYDCEVXJRCL-UHFFFAOYSA-N 0 0 376.460 3.653 20 10 GHCDRN CCc1ccc(C[N@H+](C)Cc2cc(C(C)=O)cc(CN3CCOCC3)c2[O-])cc1 ZINC000915807875 887466803 /nfs/dbraw/zinc/46/68/03/887466803.db2.gz OXOFQTNVVWYFJZ-UHFFFAOYSA-N 0 0 396.531 3.621 20 10 GHCDRN CC(C)C(=O)N1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000809542387 887530381 /nfs/dbraw/zinc/53/03/81/887530381.db2.gz ZOSUOXKJIMCDET-UHFFFAOYSA-N 0 0 377.532 3.550 20 10 GHCDRN CCS(=O)(=O)C[C@@H](C)N(C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809576880 887555642 /nfs/dbraw/zinc/55/56/42/887555642.db2.gz RULCEBCJAUSPLL-GOSISDBHSA-N 0 0 386.561 3.504 20 10 GHCDRN C[C@@H](CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1F ZINC000171267658 887654018 /nfs/dbraw/zinc/65/40/18/887654018.db2.gz YLRXGCFSOPLBJC-KRWDZBQOSA-N 0 0 384.495 3.844 20 10 GHCDRN C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809695824 887673865 /nfs/dbraw/zinc/67/38/65/887673865.db2.gz ABOCERAFINWLOC-CXAGYDPISA-N 0 0 387.402 3.737 20 10 GHCDRN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2Cc3ccccc3[C@H](C)C2)c1 ZINC000915838906 887686630 /nfs/dbraw/zinc/68/66/30/887686630.db2.gz RBAAMXQZTFJYKV-QGZVFWFLSA-N 0 0 394.515 3.546 20 10 GHCDRN Cc1ccc(NCc2cccc(Cl)c2O)c(C)c1S(=O)(=O)NC1CC1 ZINC000809683567 887701656 /nfs/dbraw/zinc/70/16/56/887701656.db2.gz FKUJZRSEVMUCEJ-UHFFFAOYSA-N 0 0 380.897 3.715 20 10 GHCDRN CN(Cc1nc(-c2cccs2)no1)Cc1cc(Br)ccc1O ZINC000809689656 887707964 /nfs/dbraw/zinc/70/79/64/887707964.db2.gz SVESPTJOPPRGRJ-UHFFFAOYSA-N 0 0 380.267 3.898 20 10 GHCDRN NC(=O)c1ccc(N2C(=O)/C(=C\c3ccc4occc4c3)SC2=S)cc1 ZINC000794679820 887753512 /nfs/dbraw/zinc/75/35/12/887753512.db2.gz JICPFDSDCJDUGK-MHWRWJLKSA-N 0 0 380.450 3.938 20 10 GHCDRN Cc1cc(C(=O)O[C@H]2CCO[C@H](C3CCOCC3)C2)c(C)n1-c1ccccn1 ZINC000763123997 887762001 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Cc1cc(C(=O)COC(=O)c2ccc(Cl)nn2)c(C)n1-c1ccc(F)cc1 ZINC000815437864 893866983 /nfs/dbraw/zinc/86/69/83/893866983.db2.gz FASLRLZGPREDSL-UHFFFAOYSA-N 0 0 387.798 3.716 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2ccnc(NC(=O)C(C)C)c2)cc1F ZINC000815539205 894006180 /nfs/dbraw/zinc/00/61/80/894006180.db2.gz COOYULBFIVDIAJ-UHFFFAOYSA-N 0 0 386.471 3.591 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCCOC3=O)cc2)c1 ZINC000815633985 894063769 /nfs/dbraw/zinc/06/37/69/894063769.db2.gz AXGXSLLNMNTZAF-HUUCEWRRSA-N 0 0 398.459 3.937 20 10 GHCDRN C[C@H](NCc1ncn(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1Cl ZINC000815658358 894073450 /nfs/dbraw/zinc/07/34/50/894073450.db2.gz ZUMYRGYWXZYCIA-INIZCTEOSA-N 0 0 397.910 3.608 20 10 GHCDRN CSc1ccc([C@@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])N(C)C)cc1 ZINC000815660219 894074180 /nfs/dbraw/zinc/07/41/80/894074180.db2.gz UMGGVIOOUGTYBO-FZKQIMNGSA-N 0 0 375.494 3.976 20 10 GHCDRN COc1c([O-])c(C[N@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774869579 913840211 /nfs/dbraw/zinc/84/02/11/913840211.db2.gz MOYJAXBUIIDSEQ-XLIONFOSSA-N 0 0 386.448 3.909 20 10 GHCDRN COc1c(O)c(CN2CCc3c(Br)cccc3C2)ccc1[N+](=O)[O-] ZINC000774871200 913846392 /nfs/dbraw/zinc/84/63/92/913846392.db2.gz WJATTZTZMNFGHN-UHFFFAOYSA-N 0 0 393.237 3.630 20 10 GHCDRN COc1cc(Cl)cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000815859577 894275280 /nfs/dbraw/zinc/27/52/80/894275280.db2.gz FWVFRBRMWHZDDP-KRWDZBQOSA-N 0 0 375.852 3.876 20 10 GHCDRN COc1cccc2c1[C@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)CC2 ZINC000815860289 894276601 /nfs/dbraw/zinc/27/66/01/894276601.db2.gz FLBUYVJKKKGQCU-RBUKOAKNSA-N 0 0 381.472 3.638 20 10 GHCDRN Cc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(C(C)C)n1 ZINC000826069389 894579739 /nfs/dbraw/zinc/57/97/39/894579739.db2.gz WSAAFVYXNUTAFQ-UHFFFAOYSA-N 0 0 381.520 3.652 20 10 GHCDRN COc1ccc(O)c(CNC(=O)c2cccc(N(C)C(=O)OC(C)(C)C)c2)c1 ZINC000878852607 894666332 /nfs/dbraw/zinc/66/63/32/894666332.db2.gz SGQSXTSJFHSRBH-UHFFFAOYSA-N 0 0 386.448 3.702 20 10 GHCDRN COc1ccc(N2CCN([C@@H](C)c3nc4sc(C)c(C)c4c(N)n3)CC2)cc1 ZINC000127465052 894780385 /nfs/dbraw/zinc/78/03/85/894780385.db2.gz SKIBNHLAHFDVGS-AWEZNQCLSA-N 0 0 397.548 3.782 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1c2c[nH]nc2CC[C@H]1C ZINC000879023596 894788998 /nfs/dbraw/zinc/78/89/98/894788998.db2.gz FZDUOSONTMDRSG-PIGZYNQJSA-N 0 0 392.297 3.592 20 10 GHCDRN C[C@H]1CN(Cc2cccc(C[NH2+]Cc3cc(Cl)c(F)cc3[O-])c2)CCO1 ZINC000816539803 894908976 /nfs/dbraw/zinc/90/89/76/894908976.db2.gz TXYZQIIGVOWIQP-AWEZNQCLSA-N 0 0 378.875 3.695 20 10 GHCDRN CCS(=O)(=O)Nc1ccc(NCc2cc(Cl)c(F)cc2O)cc1OC ZINC000816526237 894925051 /nfs/dbraw/zinc/92/50/51/894925051.db2.gz YROVQWKHPJRMNS-UHFFFAOYSA-N 0 0 388.848 3.567 20 10 GHCDRN COc1ccc(C(=O)N2CCOCC2)cc1NCc1ccc2ccccc2c1O ZINC000816526014 894925522 /nfs/dbraw/zinc/92/55/22/894925522.db2.gz QHMHCRLHYLUYTJ-UHFFFAOYSA-N 0 0 392.455 3.639 20 10 GHCDRN CC(=O)N1CCN(Cc2cccc(NCc3ccc4ccccc4c3O)c2)CC1 ZINC000816583818 894930837 /nfs/dbraw/zinc/93/08/37/894930837.db2.gz UJKCCTPVXOJGOP-UHFFFAOYSA-N 0 0 389.499 3.822 20 10 GHCDRN COc1cc(CN2CC[C@H]([NH2+]Cc3cc(Cl)c(F)cc3[O-])C2)cc(OC)c1 ZINC000816557465 894941696 /nfs/dbraw/zinc/94/16/96/894941696.db2.gz QTMOIKGEIXVBSB-HNNXBMFYSA-N 0 0 394.874 3.566 20 10 GHCDRN CN1CCO[C@@H]([C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])c2ccc(Cl)cc2)C1 ZINC000816559889 894944106 /nfs/dbraw/zinc/94/41/06/894944106.db2.gz YEUACOHJKPYSML-MOPGFXCFSA-N 0 0 399.293 4.000 20 10 GHCDRN CC(C)(C)NS(=O)(=O)c1cccc(NCc2cc(Cl)c(F)cc2O)c1 ZINC000816607077 894968688 /nfs/dbraw/zinc/96/86/88/894968688.db2.gz FAKFCOFMFYBQSY-UHFFFAOYSA-N 0 0 386.876 3.874 20 10 GHCDRN CC(C)C[C@@H](CC(=O)NCc1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C ZINC001135643279 894971641 /nfs/dbraw/zinc/97/16/41/894971641.db2.gz RYBDTJOZKMLDJW-KRWDZBQOSA-N 0 0 377.529 3.698 20 10 GHCDRN CN(C)c1ccc(CNC(=O)c2nccnc2SCc2ccccc2)cc1 ZINC001135643382 894971920 /nfs/dbraw/zinc/97/19/20/894971920.db2.gz SYSNIYGZDOOBTF-UHFFFAOYSA-N 0 0 378.501 3.765 20 10 GHCDRN C[C@@H](C(=O)NCc1cc(Br)ccc1O)[C@H]1OCCc2sccc21 ZINC000816653649 894997474 /nfs/dbraw/zinc/99/74/74/894997474.db2.gz BYYSPXONTPPGDL-QLJPJBMISA-N 0 0 396.306 3.783 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000801545644 921118788 /nfs/dbraw/zinc/11/87/88/921118788.db2.gz CUDAUFVZDDKROC-UHFFFAOYSA-N 0 0 394.431 3.929 20 10 GHCDRN CN1CCc2[nH]c3ccc(C(=O)NCc4ccc(N5CCCC5)cc4)cc3c2C1 ZINC000816865870 895140078 /nfs/dbraw/zinc/14/00/78/895140078.db2.gz AIKDIUJWZVPUKS-UHFFFAOYSA-N 0 0 388.515 3.686 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N[C@H](C)Cc3ccc(C)s3)CC2)cc1 ZINC000127867360 895152609 /nfs/dbraw/zinc/15/26/09/895152609.db2.gz WDPHUMYXWIAHCL-OAHLLOKOSA-N 0 0 387.549 3.964 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Cc1ccncc1Cl ZINC000816940675 895226801 /nfs/dbraw/zinc/22/68/01/895226801.db2.gz JVZBJWXMIIKBFT-UHFFFAOYSA-N 0 0 383.673 3.794 20 10 GHCDRN Cc1cc(C(=O)N[C@H](C)[C@@H]2OCCc3sccc32)c(C)n1-c1ccccn1 ZINC000817051128 895280848 /nfs/dbraw/zinc/28/08/48/895280848.db2.gz GQLCIGRTVNJWOC-VLIAUNLRSA-N 0 0 381.501 3.983 20 10 GHCDRN COc1ccc(-c2nnc(N(C)Cc3ccc(N4CCOCC4)cc3)s2)cc1 ZINC000817121550 895344109 /nfs/dbraw/zinc/34/41/09/895344109.db2.gz XUKSNCCMHBRBRW-UHFFFAOYSA-N 0 0 396.516 3.687 20 10 GHCDRN Cc1cc(C(=O)NC2(CCO)CC2)c(C)n1-c1ccccc1Br ZINC000817132130 895348525 /nfs/dbraw/zinc/34/85/25/895348525.db2.gz GUEROWSPRNOZFN-UHFFFAOYSA-N 0 0 377.282 3.501 20 10 GHCDRN COc1ccc(CC(=O)NCc2c(O)ccc3c2CCCC3)c(Cl)c1OC ZINC000826136854 895424172 /nfs/dbraw/zinc/42/41/72/895424172.db2.gz IMBGLJGDIPPZSS-UHFFFAOYSA-N 0 0 389.879 3.801 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@H](c1ccc(C)cc1)C1CC1 ZINC000565351527 895557725 /nfs/dbraw/zinc/55/77/25/895557725.db2.gz FOPQDTKSOZUTEX-JOCHJYFZSA-N 0 0 389.499 3.679 20 10 GHCDRN C[C@H](NC(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1)c1ccccc1O ZINC000880226227 895581148 /nfs/dbraw/zinc/58/11/48/895581148.db2.gz DEZZAUPATJUAHO-LURJTMIESA-N 0 0 382.314 3.781 20 10 GHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@H]2CCOC3(CCC3)C2)cc1 ZINC000888811288 895662245 /nfs/dbraw/zinc/66/22/45/895662245.db2.gz MWSCLZQHQPLLDY-INIZCTEOSA-N 0 0 384.442 3.993 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N3C[C@H](C)C[C@H](CO)C3)cc2Cl)C1 ZINC000817782783 895905046 /nfs/dbraw/zinc/90/50/46/895905046.db2.gz TYUPMXPGFHDFRM-NUJGCVRESA-N 0 0 393.959 3.736 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cnccc1C(C)(C)C ZINC000817852460 895922840 /nfs/dbraw/zinc/92/28/40/895922840.db2.gz HOBPKQDTGOEOMG-UHFFFAOYSA-N 0 0 397.519 3.530 20 10 GHCDRN C[C@H](CNC(=O)c1csc(Cc2ccc(N)cc2)n1)COCc1ccccc1 ZINC000817926370 895963751 /nfs/dbraw/zinc/96/37/51/895963751.db2.gz HMMGYWRKMPMMFC-MRXNPFEDSA-N 0 0 395.528 3.899 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1nnc([C@H]2CCCO2)s1 ZINC000880886764 895965905 /nfs/dbraw/zinc/96/59/05/895965905.db2.gz STKMZBKHPQHQFH-OAHLLOKOSA-N 0 0 376.482 3.929 20 10 GHCDRN COc1c([O-])c(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000774913872 914025385 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ZINC001147870512 903902594 /nfs/dbraw/zinc/90/25/94/903902594.db2.gz DYKXIINBYXOPIT-UHFFFAOYSA-N 0 0 383.249 3.668 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)c1cncc(Br)n1 ZINC001147878614 903903334 /nfs/dbraw/zinc/90/33/34/903903334.db2.gz MBNJIAZGZRZUGM-INIZCTEOSA-N 0 0 390.281 3.615 20 10 GHCDRN Cc1cc(C(=O)N2CCOC[C@H]2[C@H]2CCCC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000779081096 904007565 /nfs/dbraw/zinc/00/75/65/904007565.db2.gz ZLWLJXYKEHVXJS-IRLDBZIGSA-N 0 0 394.515 3.921 20 10 GHCDRN COc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)c2cccc(O)c2O)cc1 ZINC001148211922 904007749 /nfs/dbraw/zinc/00/77/49/904007749.db2.gz COOZNCUZYNGTIZ-UHFFFAOYSA-N 0 0 381.432 3.842 20 10 GHCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C(=O)OC(C)(C)C ZINC000775048823 914776071 /nfs/dbraw/zinc/77/60/71/914776071.db2.gz UPICAYOARSHZBX-RISCZKNCSA-N 0 0 399.875 3.831 20 10 GHCDRN C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000151578841 904160496 /nfs/dbraw/zinc/16/04/96/904160496.db2.gz 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C[C@H](NC(=O)NCc1ccccc1Cn1cccn1)c1ccc(N(C)C)cc1 ZINC000773131743 904463085 /nfs/dbraw/zinc/46/30/85/904463085.db2.gz MGVRAMZRGKECHG-KRWDZBQOSA-N 0 0 377.492 3.558 20 10 GHCDRN CC(C)c1nnc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)[nH]1 ZINC000773136093 904465640 /nfs/dbraw/zinc/46/56/40/904465640.db2.gz FRAUTRGONZXXJN-KBPBESRZSA-N 0 0 377.920 3.830 20 10 GHCDRN Oc1cc2ccccc2cc1CNc1nc(Cl)nc(OCC(F)(F)F)n1 ZINC001171402767 904509953 /nfs/dbraw/zinc/50/99/53/904509953.db2.gz RLRMWGCXINFZRP-UHFFFAOYSA-N 0 0 384.745 3.937 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)N2CCC(c3ncccn3)CC2)c1 ZINC001186842135 914818541 /nfs/dbraw/zinc/81/85/41/914818541.db2.gz WRRNNXCUEPKBRL-UHFFFAOYSA-N 0 0 376.460 3.610 20 10 GHCDRN C[C@H](NC(=O)NCc1ccnc(OCC(F)(F)F)c1)c1ccc(N(C)C)cc1 ZINC000773186354 904542820 /nfs/dbraw/zinc/54/28/20/904542820.db2.gz PJKHLIBTJIQQAJ-ZDUSSCGKSA-N 0 0 396.413 3.649 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)Nc2c3c(ccc2C)C(=O)NC3)c1 ZINC001186849833 914822755 /nfs/dbraw/zinc/82/27/55/914822755.db2.gz QRYBMMAGLFDYQG-UHFFFAOYSA-N 0 0 375.428 3.604 20 10 GHCDRN C[C@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)N1CCc2sccc2C1 ZINC000773190377 904548356 /nfs/dbraw/zinc/54/83/56/904548356.db2.gz VPDZFHMKBAVAKS-HZPDHXFCSA-N 0 0 386.565 3.621 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(OCC(F)(F)F)nc1)c1ccc(N(C)C)cc1 ZINC000773201396 904559845 /nfs/dbraw/zinc/55/98/45/904559845.db2.gz YPYMXIOFJYAUQM-ZDUSSCGKSA-N 0 0 396.413 3.649 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)N2CC[C@@H](Oc3ncccc3C)C2)c1 ZINC001186850202 914822376 /nfs/dbraw/zinc/82/23/76/914822376.db2.gz SSLAFZAJTUQKDX-LJQANCHMSA-N 0 0 391.471 3.797 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)NC2(C(F)(F)F)CCOCC2)c1 ZINC001186849715 914822408 /nfs/dbraw/zinc/82/24/08/914822408.db2.gz OQEFQGGMWGTIRZ-UHFFFAOYSA-N 0 0 382.382 3.641 20 10 GHCDRN COc1cccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1OC ZINC000889500510 904607599 /nfs/dbraw/zinc/60/75/99/904607599.db2.gz DSDXQULNULOWMT-UHFFFAOYSA-N 0 0 387.505 3.579 20 10 GHCDRN C[C@H](NC(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000773246177 904610536 /nfs/dbraw/zinc/61/05/36/904610536.db2.gz PBNSEXYAOKZODM-HDMKZQKVSA-N 0 0 399.457 3.957 20 10 GHCDRN CCCOc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2C)cc1CC ZINC001186819634 914833096 /nfs/dbraw/zinc/83/30/96/914833096.db2.gz QBHMLQSQMFHKGL-UHFFFAOYSA-N 0 0 390.549 3.891 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCc2ccc(C(C)(C)O)cc2)cc1F ZINC000773284769 904683299 /nfs/dbraw/zinc/68/32/99/904683299.db2.gz HSZOTDAQBVUQGX-UHFFFAOYSA-N 0 0 387.499 3.899 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCc2cn(C)c3cc(C)ccc23)c1 ZINC000187761450 904834926 /nfs/dbraw/zinc/83/49/26/904834926.db2.gz JAZBSLGLFOHRTF-HNNXBMFYSA-N 0 0 381.476 3.804 20 10 GHCDRN COCC[C@@]1(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CCOC1 ZINC000773337605 904901628 /nfs/dbraw/zinc/90/16/28/904901628.db2.gz GTGIKNVFMIOLCC-HXUWFJFHSA-N 0 0 376.884 3.673 20 10 GHCDRN O=C(Nc1cccc(OCc2cn3ccccc3n2)c1)c1cccc(O)c1O ZINC000188421252 904919620 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Cn1ncc(Br)c1/C=C1/SC(=S)N(c2ccsc2)C1=O ZINC000779220414 905436298 /nfs/dbraw/zinc/43/62/98/905436298.db2.gz BRLVFYQFNDJFMK-ONNFQVAWSA-N 0 0 386.321 3.650 20 10 GHCDRN CC[C@@H](C)[C@H](C)N(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1 ZINC000175335945 905536913 /nfs/dbraw/zinc/53/69/13/905536913.db2.gz AKHQGWNYSAKFBV-CVEARBPZSA-N 0 0 391.531 3.895 20 10 GHCDRN CCCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1cccc(OC)c1O ZINC000190528405 906106744 /nfs/dbraw/zinc/10/67/44/906106744.db2.gz OAXODWRDRCOKLS-UHFFFAOYSA-N 0 0 384.476 3.732 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCc4c(O)cccc4C3)ccc21 ZINC000629157745 906549845 /nfs/dbraw/zinc/54/98/45/906549845.db2.gz PWMHCTTTZJHPFF-UHFFFAOYSA-N 0 0 378.472 3.809 20 10 GHCDRN C[C@H](NC(=O)NCCOc1ncc(Cl)cc1Cl)c1ccc(N(C)C)cc1 ZINC000773385293 906647039 /nfs/dbraw/zinc/64/70/39/906647039.db2.gz CCDPEHDJNLKSLT-LBPRGKRZSA-N 0 0 397.306 3.894 20 10 GHCDRN NC(=O)c1ccccc1Nc1ccc(OCCCOc2ccc(N)cc2)cc1 ZINC001173982195 906761184 /nfs/dbraw/zinc/76/11/84/906761184.db2.gz 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CCOc1ccc(-c2cn(C3CN(Cc4ccc(Cl)cc4O)C3)nn2)cc1 ZINC001180622907 910252674 /nfs/dbraw/zinc/25/26/74/910252674.db2.gz KPYRVACVBFMWAB-UHFFFAOYSA-N 0 0 384.867 3.760 20 10 GHCDRN O=C(Cc1c[nH]c2ccc(O)cc12)NCc1cc(Cl)c2cccnc2c1O ZINC001180662547 910290844 /nfs/dbraw/zinc/29/08/44/910290844.db2.gz KOIHRMWNSLDOGM-UHFFFAOYSA-N 0 0 381.819 3.640 20 10 GHCDRN COc1cc(Cl)cc(CN2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC001180787900 910341838 /nfs/dbraw/zinc/34/18/38/910341838.db2.gz RMMHVXGIQFJFBN-QWHCGFSZSA-N 0 0 384.904 3.884 20 10 GHCDRN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ncc(Br)s1 ZINC000270118629 910446681 /nfs/dbraw/zinc/44/66/81/910446681.db2.gz GAQYHCCOLKPXJN-GFCCVEGCSA-N 0 0 382.327 3.593 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)C[C@H]1C(=O)Nc2ccccc21 ZINC001180957978 910456584 /nfs/dbraw/zinc/45/65/84/910456584.db2.gz OEOVGLOAVMMZPL-QVKFZJNVSA-N 0 0 378.472 3.875 20 10 GHCDRN CCN(CC)c1ccc(CN2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1F ZINC000246795612 910643596 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3.902 20 10 GHCDRN Cc1ccc(CN(CCC2OCCCO2)c2ccc3c(c2)OCCO3)s1 ZINC000754641209 1022805891 /nfs/dbraw/zinc/80/58/91/1022805891.db2.gz QLYUWMQYBPHODU-UHFFFAOYSA-N 0 0 375.490 3.987 20 10 GHCDRN CO[C@@H]1CN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)C[C@@H]1OC ZINC000754717468 1022853099 /nfs/dbraw/zinc/85/30/99/1022853099.db2.gz RXSSANZIHIDQBQ-BGYRXZFFSA-N 0 0 382.464 3.654 20 10 GHCDRN COC[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(Cl)cc1 ZINC000836319799 1022868375 /nfs/dbraw/zinc/86/83/75/1022868375.db2.gz DVUIFXCAXDKEGH-LJQANCHMSA-N 0 0 399.922 3.946 20 10 GHCDRN CN(C)c1ccc(CN2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c(Cl)c1 ZINC001140922656 1022890989 /nfs/dbraw/zinc/89/09/89/1022890989.db2.gz YFEPPAVSZKAMRQ-QAPCUYQASA-N 0 0 379.932 3.847 20 10 GHCDRN C[C@H](Cc1cc(Br)ccc1F)NC(=O)NCc1ccccc1O ZINC000754879146 1022946787 /nfs/dbraw/zinc/94/67/87/1022946787.db2.gz SWUQADCVMYEEOD-LLVKDONJSA-N 0 0 381.245 3.724 20 10 GHCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000755016878 1023023626 /nfs/dbraw/zinc/02/36/26/1023023626.db2.gz ZNNBZHQPIUAWOU-UHFFFAOYSA-N 0 0 384.432 3.894 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NC[C@H]3CSc4ccccc43)CC2)cc1 ZINC000836505691 1023044929 /nfs/dbraw/zinc/04/49/29/1023044929.db2.gz RBQFAAWAWBHQGZ-INIZCTEOSA-N 0 0 397.544 3.853 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C2CC2)cc1 ZINC000755079584 1023064661 /nfs/dbraw/zinc/06/46/61/1023064661.db2.gz YEJJFOZPMVXWFU-HBMCJLEFSA-N 0 0 383.536 3.774 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2cc(C)nc(C)n2)c(C)n1-c1ccc(C)cc1 ZINC000755161138 1023103019 /nfs/dbraw/zinc/10/30/19/1023103019.db2.gz GVVLAPHDNIQMPE-UHFFFAOYSA-N 0 0 377.444 3.849 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC000755301351 1023181882 /nfs/dbraw/zinc/18/18/82/1023181882.db2.gz IFLJWEDXEYPVEV-INIZCTEOSA-N 0 0 392.544 3.587 20 10 GHCDRN Cc1cc(CCNC(=O)N[C@H]2C[C@H](C)n3ccnc32)c(C)n1-c1ccccc1 ZINC000836629785 1023191676 /nfs/dbraw/zinc/19/16/76/1023191676.db2.gz XXTDYTPHYQZKDU-YWZLYKJASA-N 0 0 377.492 3.838 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCC[C@@H](C)C1 ZINC000836671670 1023236028 /nfs/dbraw/zinc/23/60/28/1023236028.db2.gz ZKXBIGTWERGWEI-SOLBZPMBSA-N 0 0 391.531 3.801 20 10 GHCDRN Cc1c(Br)nccc1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000836676664 1023243671 /nfs/dbraw/zinc/24/36/71/1023243671.db2.gz BQYNHOZLDDEHQK-UHFFFAOYSA-N 0 0 391.269 3.649 20 10 GHCDRN COc1cc(O)c(CN2CCCC[C@@H]2c2noc(C(F)(F)F)n2)c(OC)c1 ZINC001141028404 1023275844 /nfs/dbraw/zinc/27/58/44/1023275844.db2.gz NFWRQAZLQUDEGE-GFCCVEGCSA-N 0 0 387.358 3.538 20 10 GHCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1cn(-c2ccc(F)cc2Cl)nn1 ZINC000755586220 1023301697 /nfs/dbraw/zinc/30/16/97/1023301697.db2.gz FPOWKJVIJGEWOR-OQLLNIDSSA-N 0 0 391.859 3.516 20 10 GHCDRN O=C(NCCCSc1nccs1)Nc1ncc(C2CCOCC2)s1 ZINC000836726424 1023309382 /nfs/dbraw/zinc/30/93/82/1023309382.db2.gz BPZUHIYAHAUQNU-UHFFFAOYSA-N 0 0 384.552 3.798 20 10 GHCDRN CC1(C)CCC[C@@H](CC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000755610243 1023312435 /nfs/dbraw/zinc/31/24/35/1023312435.db2.gz VUASWOUKNWWNGU-OALUTQOASA-N 0 0 385.552 3.611 20 10 GHCDRN COc1cccc(CNC(=O)Nc2ccc3c(c2)CN(CC(F)(F)F)C3)c1O ZINC000836777997 1023359974 /nfs/dbraw/zinc/35/99/74/1023359974.db2.gz SDLVGVPVXMSMQB-UHFFFAOYSA-N 0 0 395.381 3.600 20 10 GHCDRN COc1cccc(-c2nc(C)c(C(=O)NCc3ccc(N(C)C)cc3C)[nH]2)c1 ZINC000755904322 1023428775 /nfs/dbraw/zinc/42/87/75/1023428775.db2.gz GFSDBMWGKMFIPQ-UHFFFAOYSA-N 0 0 378.476 3.698 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCO[C@H](c3ccncc3)C2)c(C)n1-c1ccccn1 ZINC000836880391 1023432468 /nfs/dbraw/zinc/43/24/68/1023432468.db2.gz DQYWQQQXSJLOJC-ICSRJNTNSA-N 0 0 376.460 3.534 20 10 GHCDRN CCCc1cnc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)s1 ZINC000756190339 1023550840 /nfs/dbraw/zinc/55/08/40/1023550840.db2.gz RMSPWQLCEVSKFP-UHFFFAOYSA-N 0 0 386.521 3.982 20 10 GHCDRN C[C@H]([NH2+]Cc1nncn1-c1ccccc1)c1cc(Br)c(F)cc1[O-] ZINC000756404294 1023630869 /nfs/dbraw/zinc/63/08/69/1023630869.db2.gz UNOROPNBWIDABL-NSHDSACASA-N 0 0 391.244 3.725 20 10 GHCDRN CCN(CC)[C@H](C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-])c1ccsc1 ZINC000756408821 1023632602 /nfs/dbraw/zinc/63/26/02/1023632602.db2.gz SKQXSFSROPCDAB-RDTXWAMCSA-N 0 0 376.522 3.974 20 10 GHCDRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000756436782 1023648816 /nfs/dbraw/zinc/64/88/16/1023648816.db2.gz NJEYZDPUFPFLER-HZPDHXFCSA-N 0 0 389.540 3.793 20 10 GHCDRN Cc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])c1 ZINC000756461531 1023664741 /nfs/dbraw/zinc/66/47/41/1023664741.db2.gz UCPMBQSLUFZGCT-LBPRGKRZSA-N 0 0 395.272 3.683 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756476247 1023674547 /nfs/dbraw/zinc/67/45/47/1023674547.db2.gz REULGDPQLHEPLD-OLZOCXBDSA-N 0 0 377.391 3.756 20 10 GHCDRN C[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756503140 1023686422 /nfs/dbraw/zinc/68/64/22/1023686422.db2.gz LAFMTIDPHQVEET-VIFPVBQESA-N 0 0 381.236 3.674 20 10 GHCDRN C[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cc(Br)c(F)cc1[O-] ZINC000756539251 1023704253 /nfs/dbraw/zinc/70/42/53/1023704253.db2.gz KYSLESZBVANZPD-MRVPVSSYSA-N 0 0 396.182 3.903 20 10 GHCDRN C[C@@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756638938 1023748667 /nfs/dbraw/zinc/74/86/67/1023748667.db2.gz UITFQQUMZNLVML-MEBBXXQBSA-N 0 0 393.778 3.896 20 10 GHCDRN C[C@H](NCc1csc(CNC(=O)c2ccccc2)n1)c1cc(F)ccc1O ZINC000756643182 1023750060 /nfs/dbraw/zinc/75/00/60/1023750060.db2.gz SXVXKEDHXJIQHD-ZDUSSCGKSA-N 0 0 385.464 3.769 20 10 GHCDRN Cc1nc(-c2cccc(NC(=O)CN(C)c3ccc4c(c3)OCO4)c2)cs1 ZINC000756646377 1023752253 /nfs/dbraw/zinc/75/22/53/1023752253.db2.gz VPCOZLYSHWBKOA-UHFFFAOYSA-N 0 0 381.457 3.922 20 10 GHCDRN C[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1cc(Br)c(F)cc1[O-] ZINC000756737764 1023793869 /nfs/dbraw/zinc/79/38/69/1023793869.db2.gz AZFSSDKRCHAKIH-MLMJSJRWSA-N 0 0 386.286 3.882 20 10 GHCDRN C[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1cc(Br)cc(F)c1[O-] ZINC000756739486 1023794091 /nfs/dbraw/zinc/79/40/91/1023794091.db2.gz NWZXEPSXNRSCIZ-RMLUDKJBSA-N 0 0 390.199 3.956 20 10 GHCDRN C[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1cc(Br)c(F)cc1[O-] ZINC000756740532 1023794483 /nfs/dbraw/zinc/79/44/83/1023794483.db2.gz ROVSALHJUDVAQK-AYVTZFPOSA-N 0 0 390.199 3.956 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000756785040 1023814945 /nfs/dbraw/zinc/81/49/45/1023814945.db2.gz RTIRKYBGVSCJIQ-GMVOTWDCSA-N 0 0 388.895 3.928 20 10 GHCDRN C[C@H](Nc1ccc(OCCC(N)=O)cc1)c1cc(Br)c(F)cc1O ZINC000756813083 1023824860 /nfs/dbraw/zinc/82/48/60/1023824860.db2.gz CSLDSYTXWOPETD-JTQLQIEISA-N 0 0 397.244 3.721 20 10 GHCDRN CSc1cc(C)ccc1CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000756970331 1023892207 /nfs/dbraw/zinc/89/22/07/1023892207.db2.gz IFSMKBKMXDFRBJ-UHFFFAOYSA-N 0 0 399.560 3.895 20 10 GHCDRN CC(C)(C)OC(=O)N1CC[C@@H](N(Cc2ccncc2)Cc2cc(O)ccc2O)C1 ZINC001141161276 1023986255 /nfs/dbraw/zinc/98/62/55/1023986255.db2.gz BWUXQINPWVDYRT-GOSISDBHSA-N 0 0 399.491 3.504 20 10 GHCDRN O=C(CCC[C@@H](O)c1ccccc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000830900578 1024227897 /nfs/dbraw/zinc/22/78/97/1024227897.db2.gz ZXYRYPRTRSTPJU-NHCUHLMSSA-N 0 0 383.488 3.804 20 10 GHCDRN CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CCC(=O)C3)c2C)cc1 ZINC000830927514 1024251404 /nfs/dbraw/zinc/25/14/04/1024251404.db2.gz ONQASIIMPRKIQA-MRXNPFEDSA-N 0 0 383.444 3.588 20 10 GHCDRN Cc1cc(CC(=O)NCCc2cnc(C)cn2)c(C)n1-c1ccc(Cl)cc1 ZINC000837226628 1024255642 /nfs/dbraw/zinc/25/56/42/1024255642.db2.gz UUJNMFAPPOITIU-UHFFFAOYSA-N 0 0 382.895 3.747 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@H](c1ccnn1C)C(C)C ZINC001138241692 1024448684 /nfs/dbraw/zinc/44/86/84/1024448684.db2.gz OPVUWMRTRYJBOB-FQEVSTJZSA-N 0 0 392.503 3.810 20 10 GHCDRN COC[C@@H]1CN(Cc2c(C)n(C)c3ccccc23)Cc2nn(CC3CC3)cc21 ZINC001138253905 1024475532 /nfs/dbraw/zinc/47/55/32/1024475532.db2.gz KEGAWIHGLFZHMQ-SFHVURJKSA-N 0 0 378.520 3.839 20 10 GHCDRN Cc1c(CN2CCn3cc(CN4CCCCC4)nc3C2)c2ccccc2n1C ZINC001138255918 1024481212 /nfs/dbraw/zinc/48/12/12/1024481212.db2.gz XTYATNZHRUWPGS-UHFFFAOYSA-N 0 0 377.536 3.685 20 10 GHCDRN Cc1cc(CC(=O)N2CC[C@H](C(N)=O)c3ccccc32)c(C)n1-c1ccccc1 ZINC000831346607 1024508706 /nfs/dbraw/zinc/50/87/06/1024508706.db2.gz LVWGFTYFDNNPNW-NRFANRHFSA-N 0 0 387.483 3.642 20 10 GHCDRN COCCC1(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)CCC1 ZINC000837575342 1024560675 /nfs/dbraw/zinc/56/06/75/1024560675.db2.gz KDVQTIHQCQDXGS-UHFFFAOYSA-N 0 0 388.439 3.561 20 10 GHCDRN CC(C)Oc1ccc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000837703242 1024646903 /nfs/dbraw/zinc/64/69/03/1024646903.db2.gz BBXHJASPGALEGF-UHFFFAOYSA-N 0 0 390.430 3.519 20 10 GHCDRN O=C(CC/C=C\c1ccccc1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837706157 1024648832 /nfs/dbraw/zinc/64/88/32/1024648832.db2.gz DJQVZMPVVNATLS-YWEYNIOJSA-N 0 0 386.442 3.911 20 10 GHCDRN Cc1ccccc1C(C)(C)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837707043 1024650869 /nfs/dbraw/zinc/65/08/69/1024650869.db2.gz HWBRLZSMTWNHAQ-UHFFFAOYSA-N 0 0 388.458 3.704 20 10 GHCDRN Cc1cccc2cc(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)oc21 ZINC000837708032 1024652036 /nfs/dbraw/zinc/65/20/36/1024652036.db2.gz PWKCUILMPYOHOS-UHFFFAOYSA-N 0 0 386.398 3.786 20 10 GHCDRN Cc1ccc(CCCC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)s1 ZINC000837708965 1024653006 /nfs/dbraw/zinc/65/30/06/1024653006.db2.gz YYUMBDMNXJIBCK-UHFFFAOYSA-N 0 0 394.487 3.810 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)Nc2ccc(-n3cccn3)nc2)c1 ZINC001141357699 1024691998 /nfs/dbraw/zinc/69/19/98/1024691998.db2.gz APLCHNNHZPIEKV-UHFFFAOYSA-N 0 0 385.427 3.740 20 10 GHCDRN C[N@H+](Cc1cc(Cl)cc(Br)c1[O-])[C@H]1CCC2(C1)OCCO2 ZINC001141374372 1024767095 /nfs/dbraw/zinc/76/70/95/1024767095.db2.gz GFHXIAUQXBTYHD-LBPRGKRZSA-N 0 0 376.678 3.536 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N3CC(C)(C)[C@@H]3c3ccncc3)CC2)cc1 ZINC000838190124 1024985394 /nfs/dbraw/zinc/98/53/94/1024985394.db2.gz BMUSYSODCKCQMG-NRFANRHFSA-N 0 0 394.519 3.852 20 10 GHCDRN CN(C(=O)NCCCSc1nccs1)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000838514032 1025185165 /nfs/dbraw/zinc/18/51/65/1025185165.db2.gz DKTARFNLPOENBS-OAHLLOKOSA-N 0 0 387.534 3.779 20 10 GHCDRN C[C@@H](NC(=O)N(C)C1CC(NC(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000838557389 1025208251 /nfs/dbraw/zinc/20/82/51/1025208251.db2.gz AKJDWMIYDKXXCE-MXWWQKGMSA-N 0 0 390.528 3.511 20 10 GHCDRN Nc1ccc(CC(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)cc1 ZINC000832182549 1025292266 /nfs/dbraw/zinc/29/22/66/1025292266.db2.gz JUIDNXVZPVHXPV-CTYIDZIISA-N 0 0 377.257 3.775 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1C[C@H](C)n2ccnc21 ZINC000838688127 1025297313 /nfs/dbraw/zinc/29/73/13/1025297313.db2.gz BEODLTSBWPZUBZ-FZMZJTMJSA-N 0 0 393.285 3.589 20 10 GHCDRN CO[C@H]([C@H](C)NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000838701201 1025311990 /nfs/dbraw/zinc/31/19/90/1025311990.db2.gz FMTDNGUZNNUETB-HRAATJIYSA-N 0 0 385.508 3.871 20 10 GHCDRN C[C@H]1CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c2ccccc21 ZINC000838746186 1025341455 /nfs/dbraw/zinc/34/14/55/1025341455.db2.gz GSHRCXBBXOXUSP-AWEZNQCLSA-N 0 0 387.430 3.635 20 10 GHCDRN Cc1cnc2c(C(=O)N(Cc3ccco3)Cc3ccc(N(C)C)cc3)cnn2c1 ZINC001141518707 1025369684 /nfs/dbraw/zinc/36/96/84/1025369684.db2.gz QHPWSFYSPOJEKX-UHFFFAOYSA-N 0 0 389.459 3.539 20 10 GHCDRN COc1ccc(CN2CCN(C/C=C/c3ccc(N(C)C)cc3)CC2)cc1F ZINC001205162791 1033280790 /nfs/dbraw/zinc/28/07/90/1033280790.db2.gz SVGDPJDIPWRYKT-SNAWJCMRSA-N 0 0 383.511 3.731 20 10 GHCDRN COc1cc(N(C)Cc2cccc(O)c2Br)cc(OC)c1OC ZINC000839003306 1025510342 /nfs/dbraw/zinc/51/03/42/1025510342.db2.gz JUMPVIGISBOFMD-UHFFFAOYSA-N 0 0 382.254 3.817 20 10 GHCDRN CCCc1cnc(NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)s1 ZINC000839012034 1025516812 /nfs/dbraw/zinc/51/68/12/1025516812.db2.gz VHVYFARUGZZYCK-UHFFFAOYSA-N 0 0 396.463 3.532 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3ccc(C(=O)C(C)C)cc3)C2)cc1 ZINC001205194873 1033293239 /nfs/dbraw/zinc/29/32/39/1033293239.db2.gz JKNIFEJUMRKPDU-SFHVURJKSA-N 0 0 381.476 3.934 20 10 GHCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839143778 1025637954 /nfs/dbraw/zinc/63/79/54/1025637954.db2.gz CABJPOUBNPNOKC-UHFFFAOYSA-N 0 0 386.801 3.589 20 10 GHCDRN CCOCc1nc(Cl)cc(NC2CCN(c3ccc(OC)cc3)CC2)n1 ZINC001162375434 1025727794 /nfs/dbraw/zinc/72/77/94/1025727794.db2.gz LJBLSWZBVXKNFO-UHFFFAOYSA-N 0 0 376.888 3.756 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)C[C@@H](C)c1ccccc1 ZINC000839241924 1025751326 /nfs/dbraw/zinc/75/13/26/1025751326.db2.gz DOJUDFKOCDUXJX-LJQANCHMSA-N 0 0 395.547 3.752 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)Cc1cccc(OC(C)C)c1 ZINC000839274067 1025770253 /nfs/dbraw/zinc/77/02/53/1025770253.db2.gz XQPIKAUUPTVDCE-UHFFFAOYSA-N 0 0 398.503 3.577 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cccc(OC(C)(C)C)c1 ZINC001162540217 1025785550 /nfs/dbraw/zinc/78/55/50/1025785550.db2.gz UQXMNIYPOILBGQ-UHFFFAOYSA-N 0 0 385.460 3.775 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N(C)C[C@@H](C)c1ccccc1 ZINC000839338691 1025820541 /nfs/dbraw/zinc/82/05/41/1025820541.db2.gz ANXLZTFPCQAVDE-GOSISDBHSA-N 0 0 382.504 3.783 20 10 GHCDRN Cc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1ccc2cccnc2c1O ZINC001162612180 1025829214 /nfs/dbraw/zinc/82/92/14/1025829214.db2.gz DWSBAKXNWXDNBV-UHFFFAOYSA-N 0 0 376.391 3.504 20 10 GHCDRN COC(=O)CCC[N@H+](Cc1ccccc1)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139126550 1025939049 /nfs/dbraw/zinc/93/90/49/1025939049.db2.gz JZCSKNSSVZCNSC-UHFFFAOYSA-N 0 0 395.455 3.762 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1C[C@@H]2C[C@H](C1)c1cc3nccnc3cc12 ZINC001139132591 1025944279 /nfs/dbraw/zinc/94/42/79/1025944279.db2.gz XNEKFPXWCITRLK-GASCZTMLSA-N 0 0 399.450 3.837 20 10 GHCDRN CC[C@H](C)C[C@@H](CO)NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000832819162 1025987233 /nfs/dbraw/zinc/98/72/33/1025987233.db2.gz ZAHHVFMHXRCTIN-KXBFYZLASA-N 0 0 382.464 3.954 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]([C@H](C)CC)C(F)(F)F ZINC000839546745 1026042567 /nfs/dbraw/zinc/04/25/67/1026042567.db2.gz ACDMKLQARCAHKP-CZUORRHYSA-N 0 0 388.430 3.614 20 10 GHCDRN C[C@]1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C[C@@H]1c1ccccc1 ZINC000839547534 1026044087 /nfs/dbraw/zinc/04/40/87/1026044087.db2.gz KFBSJLIKFJUQEU-VWNXMTODSA-N 0 0 378.516 3.705 20 10 GHCDRN COc1cc2c(c(OC)c1)N(C[C@H]1CCN(C(=O)c3ccccc3)C1)CCC2 ZINC000839656645 1026178519 /nfs/dbraw/zinc/17/85/19/1026178519.db2.gz PTXUGUFBIXEDFG-QGZVFWFLSA-N 0 0 380.488 3.619 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2Nc1c(Cl)nc(Cl)nc1C(N)=O ZINC001163486366 1026210425 /nfs/dbraw/zinc/21/04/25/1026210425.db2.gz GWTALWANPUVFOH-CQSZACIVSA-N 0 0 395.290 3.940 20 10 GHCDRN COC(=O)c1cc2c([n-]1)nc[nH+]c2N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001163487903 1026211402 /nfs/dbraw/zinc/21/14/02/1026211402.db2.gz XKMGDNMGFGCVDI-KRWDZBQOSA-N 0 0 380.448 3.754 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H]2COc3ccccc3C2)cc1 ZINC001141686614 1026252784 /nfs/dbraw/zinc/25/27/84/1026252784.db2.gz ZMUXKHFCLXSVJD-NRFANRHFSA-N 0 0 388.467 3.569 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)Cc1c(OC)cc(OC)cc1C(=O)OC ZINC001141709235 1026310159 /nfs/dbraw/zinc/31/01/59/1026310159.db2.gz JXCVVHADHKDTID-UHFFFAOYSA-N 0 0 386.492 3.579 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000839915298 1026343890 /nfs/dbraw/zinc/34/38/90/1026343890.db2.gz ZHFNZXIJSXJOBI-INIZCTEOSA-N 0 0 379.504 3.771 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCc1nnc(-c2ccsc2)o1 ZINC000839917047 1026345806 /nfs/dbraw/zinc/34/58/06/1026345806.db2.gz YHPSQGMSBDFGCO-OAHLLOKOSA-N 0 0 398.532 3.853 20 10 GHCDRN CC(=O)CCc1ccc(OCC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cc1 ZINC000839917507 1026345822 /nfs/dbraw/zinc/34/58/22/1026345822.db2.gz FEFNKTSZHDKLGN-SFHVURJKSA-N 0 0 396.531 3.709 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCc1cnn(-c2ccccc2)c1 ZINC000839917049 1026345964 /nfs/dbraw/zinc/34/59/64/1026345964.db2.gz YIERBGDAVLQUIB-IBGZPJMESA-N 0 0 390.531 3.927 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Cc1ccn(-c2ccccc2)n1 ZINC000839919611 1026346789 /nfs/dbraw/zinc/34/67/89/1026346789.db2.gz IHQJDQXNQKTJLS-SFHVURJKSA-N 0 0 376.504 3.537 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C[C@H](CO)Cc1ccccc1 ZINC001461102511 1069390042 /nfs/dbraw/zinc/39/00/42/1069390042.db2.gz YXVBHPRLNOHITR-CYBMUJFWSA-N 0 0 384.701 3.749 20 10 GHCDRN CCOC[C@@H]1CN(Cc2ccc(N(C)C)c(C)c2)Cc2nn(CC3CC3)cc21 ZINC001139669916 1026525363 /nfs/dbraw/zinc/52/53/63/1026525363.db2.gz DKIIVMJGOLHPNW-FQEVSTJZSA-N 0 0 382.552 3.803 20 10 GHCDRN COc1ccc(N2CCN(Cc3cnc(Br)s3)CC2)c(C)c1 ZINC001139916506 1026729594 /nfs/dbraw/zinc/72/95/94/1026729594.db2.gz LTQDNXFGKDFFOF-UHFFFAOYSA-N 0 0 382.327 3.545 20 10 GHCDRN Oc1cccc(Br)c1CN1CCN(c2nccc3occc32)CC1 ZINC001140101480 1026880758 /nfs/dbraw/zinc/88/07/58/1026880758.db2.gz UZEWKVCTZIIOFI-UHFFFAOYSA-N 0 0 388.265 3.618 20 10 GHCDRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1CN2Cc1c(O)cccc1Br ZINC001140102435 1026882731 /nfs/dbraw/zinc/88/27/31/1026882731.db2.gz QVBLEDYDLBTJFY-STQMWFEESA-N 0 0 397.313 3.738 20 10 GHCDRN Cc1cc(C(=O)N2CCOC[C@H]2C(=O)OC(C)(C)C)c(C)n1-c1ccccc1C ZINC001166629121 1027044711 /nfs/dbraw/zinc/04/47/11/1027044711.db2.gz LSNPCNWRUUGCRE-FQEVSTJZSA-N 0 0 398.503 3.585 20 10 GHCDRN CCOC(=O)/C=C/c1cccnc1N1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001166816465 1027092873 /nfs/dbraw/zinc/09/28/73/1027092873.db2.gz YTRKHPGXFACGKM-JXMROGBWSA-N 0 0 391.471 3.721 20 10 GHCDRN COc1ccc(I)cc1Nc1ccc2c(c1)OCCN2 ZINC001209788826 1027191923 /nfs/dbraw/zinc/19/19/23/1027191923.db2.gz RHEGXHAISDMKEI-UHFFFAOYSA-N 0 0 382.201 3.848 20 10 GHCDRN Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cc(Br)cc(F)c2[O-])cn1 ZINC001203161725 1027220068 /nfs/dbraw/zinc/22/00/68/1027220068.db2.gz RBJVKHRYKBLILF-BLLLJJGKSA-N 0 0 382.277 3.528 20 10 GHCDRN Cc1oc(-c2cccs2)nc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC001203233998 1027242851 /nfs/dbraw/zinc/24/28/51/1027242851.db2.gz BMTWYOYMYQAHIN-UHFFFAOYSA-N 0 0 383.517 3.962 20 10 GHCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2[O-])[C@H](C)O1 ZINC001203370396 1027296452 /nfs/dbraw/zinc/29/64/52/1027296452.db2.gz ZKEUCMDJHGALLU-RGNHYFCHSA-N 0 0 379.092 3.573 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H](O)C1CCCCCCC1 ZINC001141804055 1027329669 /nfs/dbraw/zinc/32/96/69/1027329669.db2.gz RBUQNKRLYKOCBX-FQEVSTJZSA-N 0 0 376.566 3.577 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000840238311 1027370001 /nfs/dbraw/zinc/37/00/01/1027370001.db2.gz KXXKLQFDKNCZEE-UHFFFAOYSA-N 0 0 378.432 3.616 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H](C)c1nc2ccccc2[nH]1 ZINC000840245191 1027375176 /nfs/dbraw/zinc/37/51/76/1027375176.db2.gz ZIMZRDHURCHLJZ-JKSUJKDBSA-N 0 0 379.508 3.929 20 10 GHCDRN O=[N+]([O-])c1ccc2ccnc(NCc3ccc(N4CCOCC4)c(F)c3)c2c1 ZINC000840246476 1027376891 /nfs/dbraw/zinc/37/68/91/1027376891.db2.gz MUBMEHSHYFKPNK-UHFFFAOYSA-N 0 0 382.395 3.731 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000840260388 1027389660 /nfs/dbraw/zinc/38/96/60/1027389660.db2.gz YHKKPZGJKATMDB-LJQANCHMSA-N 0 0 382.483 3.504 20 10 GHCDRN CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000840260273 1027390314 /nfs/dbraw/zinc/39/03/14/1027390314.db2.gz GDPRIQYUVQEGFE-IEBWSBKVSA-N 0 0 391.531 3.801 20 10 GHCDRN O=C1[C@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]2CN1c1ccccc1 ZINC001203578393 1027447478 /nfs/dbraw/zinc/44/74/78/1027447478.db2.gz MQPBFMKWXWIMEL-BBRMVZONSA-N 0 0 377.271 3.794 20 10 GHCDRN O=[N+]([O-])c1cc(F)c(NCc2cc(F)c(N3CCOCC3)c(F)c2)c(F)c1 ZINC000840327938 1027455911 /nfs/dbraw/zinc/45/59/11/1027455911.db2.gz XLKOLYFTWVGLKV-UHFFFAOYSA-N 0 0 385.317 3.600 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H](CO)[C@@H]3C)cc2Cl)C1 ZINC000840368925 1027491253 /nfs/dbraw/zinc/49/12/53/1027491253.db2.gz XYVQWJXYNFCAIN-RYRKJORJSA-N 0 0 393.959 3.879 20 10 GHCDRN CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCCN2Cc1cc(Br)ccc1O ZINC001203639718 1027497706 /nfs/dbraw/zinc/49/77/06/1027497706.db2.gz IRVLPVIBPOUTDT-GJZGRUSLSA-N 0 0 397.313 3.738 20 10 GHCDRN COc1ccc(Br)c(CNC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001141866106 1027501541 /nfs/dbraw/zinc/50/15/41/1027501541.db2.gz QCFQBYVFCFDYFX-UHFFFAOYSA-N 0 0 391.225 3.550 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000840386701 1027503201 /nfs/dbraw/zinc/50/32/01/1027503201.db2.gz GVGKKQBMZQRFBN-SFGWALBWSA-N 0 0 396.535 3.607 20 10 GHCDRN COc1ccc(O)c(CN2CCn3c(COCC4CCCC4)cnc3[C@@H]2C)c1 ZINC001203673332 1027523406 /nfs/dbraw/zinc/52/34/06/1027523406.db2.gz VKNBZPWZYKXBNX-INIZCTEOSA-N 0 0 385.508 3.881 20 10 GHCDRN CCOC(=O)[C@H]1c2ccc(Cl)cc2CCN1Cc1cc(OC)ccc1O ZINC001203683784 1027528284 /nfs/dbraw/zinc/52/82/84/1027528284.db2.gz CPAFCGOMGUDICL-LJQANCHMSA-N 0 0 375.852 3.717 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC001203698100 1027541295 /nfs/dbraw/zinc/54/12/95/1027541295.db2.gz GHAOBLLVIXNMSG-CQSZACIVSA-N 0 0 388.664 3.640 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@]2(C1)OCc1ccccc12 ZINC000840481497 1027565915 /nfs/dbraw/zinc/56/59/15/1027565915.db2.gz JPRDNNZZJCTGRQ-HOYKHHGWSA-N 0 0 393.531 3.833 20 10 GHCDRN CC(=O)c1ccc2c(c1)CN(C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C2 ZINC000840483120 1027566004 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Cc1c(C(=O)NCc2cc(Br)ccc2O)cnn1C1CCCC1 ZINC001323205070 1056938585 /nfs/dbraw/zinc/93/85/85/1056938585.db2.gz LHNDZZWRGORJGX-UHFFFAOYSA-N 0 0 378.270 3.705 20 10 GHCDRN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000848310134 1056994335 /nfs/dbraw/zinc/99/43/35/1056994335.db2.gz OYIGMWWIFLWASM-JMZLEBCFSA-N 0 0 389.492 3.620 20 10 GHCDRN CCc1c(C(=O)NCc2ccc(N(CC)CC)cc2)nnn1Cc1ccccc1 ZINC001355014549 1057018891 /nfs/dbraw/zinc/01/88/91/1057018891.db2.gz APLIGYQZEHMHFS-UHFFFAOYSA-N 0 0 391.519 3.665 20 10 GHCDRN C[C@H]1CCc2nc(N3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)sc2C1 ZINC001323982937 1057049262 /nfs/dbraw/zinc/04/92/62/1057049262.db2.gz FQCFMYSTUSEJEI-JTQLQIEISA-N 0 0 391.880 3.596 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2cncnc2C)c(C)n1-c1ccc(C)c(F)c1 ZINC001323995872 1057051367 /nfs/dbraw/zinc/05/13/67/1057051367.db2.gz VVDQJJJDMNFMSL-UHFFFAOYSA-N 0 0 381.407 3.680 20 10 GHCDRN O=C(Cc1cc(Br)ccc1F)Nc1c2nonc2ccc1Cl ZINC001324142086 1057078086 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GHCDRN CC(=O)N1CCN(Cc2ccc(NCc3ccc(N4CCCC4)cc3)cc2)CC1 ZINC001325778903 1057362631 /nfs/dbraw/zinc/36/26/31/1057362631.db2.gz OPUHEQOOZQAIRG-UHFFFAOYSA-N 0 0 392.547 3.563 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CC[S@](=O)C[C@H](C)C2)c1 ZINC001326375288 1057469657 /nfs/dbraw/zinc/46/96/57/1057469657.db2.gz HPXFIFKLBLUAHI-SHZVTRLKSA-N 0 0 378.925 3.588 20 10 GHCDRN CCn1c(-c2ccc(C)cc2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 ZINC001356378350 1057494386 /nfs/dbraw/zinc/49/43/86/1057494386.db2.gz JSTDKKQUDAAWTL-UHFFFAOYSA-N 0 0 391.519 3.746 20 10 GHCDRN C/C(=C\C1CCC(C)CC1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC001356434071 1057511241 /nfs/dbraw/zinc/51/12/41/1057511241.db2.gz PDMSXHQXPVLNCJ-HKWPGLCGSA-N 0 0 397.563 3.777 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N(C)CCc2nccs2)CCCC1 ZINC001356504181 1057530911 /nfs/dbraw/zinc/53/09/11/1057530911.db2.gz VYNBVYKKPJZWGH-UHFFFAOYSA-N 0 0 383.517 3.686 20 10 GHCDRN Cc1cc(C(=O)Cn2nnc(-c3ccco3)n2)c(C)n1-c1ccc(C)c(F)c1 ZINC001473038554 1057543196 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GHCDRN CCOCCN1CCN(C(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)CC1 ZINC001338865674 1058840539 /nfs/dbraw/zinc/84/05/39/1058840539.db2.gz ZRNSJXNHKBHBPX-UHFFFAOYSA-N 0 0 389.927 3.542 20 10 GHCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)/C=C\COc2ccccc2)cc1 ZINC001442613925 1058984938 /nfs/dbraw/zinc/98/49/38/1058984938.db2.gz KRAFCMCHGRJDFV-RRZSJFKKSA-N 0 0 394.515 3.895 20 10 GHCDRN CC(=O)c1cc(Cl)cc(CN2CCC(O)(Cc3ccccc3F)CC2)c1O ZINC001339365641 1059144732 /nfs/dbraw/zinc/14/47/32/1059144732.db2.gz UIGZMCPOFMYAKC-UHFFFAOYSA-N 0 0 391.870 3.957 20 10 GHCDRN C[C@@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)N(C)C(=O)OC(C)(C)C ZINC001443664023 1059169769 /nfs/dbraw/zinc/16/97/69/1059169769.db2.gz KROIEOHLBXHVDL-KRWDZBQOSA-N 0 0 389.540 3.795 20 10 GHCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)cc1 ZINC001444672506 1059359034 /nfs/dbraw/zinc/35/90/34/1059359034.db2.gz OZIZNLBYJSHHLY-CQSZACIVSA-N 0 0 381.219 3.619 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccccc1NCC(F)(F)F ZINC001444696833 1059363261 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20 10 GHCDRN COC(=O)CSCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C ZINC000849191370 1067758645 /nfs/dbraw/zinc/75/86/45/1067758645.db2.gz JJAPJJVWBRFSBW-UHFFFAOYSA-N 0 0 383.416 3.784 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)NCCCOc2ccccc2C)cc1 ZINC001477836303 1078586556 /nfs/dbraw/zinc/58/65/56/1078586556.db2.gz QYWBLZOJLNXBHZ-UHFFFAOYSA-N 0 0 385.508 3.550 20 10 GHCDRN COc1ccc(/C=C\C(=O)Nc2c(-c3ccccn3)nc3ccccn32)cc1O ZINC001468657448 1067809882 /nfs/dbraw/zinc/80/98/82/1067809882.db2.gz RNSYUVWCWAIPSQ-LUAWRHEFSA-N 0 0 386.411 3.762 20 10 GHCDRN COC1CCN(c2ccc(C[N@@H+]3CC[C@H](C(=O)[O-])[C@H]4CCCC[C@@H]43)cc2)CC1 ZINC000849344994 1067812471 /nfs/dbraw/zinc/81/24/71/1067812471.db2.gz GMLWPJWVIPONBT-FSSWDIPSSA-N 0 0 386.536 3.767 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1F ZINC001477847020 1078591343 /nfs/dbraw/zinc/59/13/43/1078591343.db2.gz XRUWRTCFFXVBEY-APWZRJJASA-N 0 0 379.520 3.610 20 10 GHCDRN CCN(CC)c1ccc(CN2C(=O)[C@@H](c3cccc(OC)c3)N(C)C2=O)cc1 ZINC000849351266 1067817151 /nfs/dbraw/zinc/81/71/51/1067817151.db2.gz DULTYYNBWKEURF-HXUWFJFHSA-N 0 0 381.476 3.677 20 10 GHCDRN O=C(NCc1cccc(Cl)c1O)NC1CCN(c2cccc(F)c2)CC1 ZINC001468916704 1067926985 /nfs/dbraw/zinc/92/69/85/1067926985.db2.gz AIXIVVOVUVMVRV-UHFFFAOYSA-N 0 0 377.847 3.653 20 10 GHCDRN COC(=O)/C=C/c1ccc(N(Cc2ccco2)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000765622126 1068117169 /nfs/dbraw/zinc/11/71/69/1068117169.db2.gz FVGXJZLVTXEJCE-LKUPDRCFSA-N 0 0 386.404 3.560 20 10 GHCDRN Cc1cc(CC(=O)NCC[C@@H](C)[S@](C)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000766728395 1068164764 /nfs/dbraw/zinc/16/47/64/1068164764.db2.gz ABQLAMJSQFHCEW-PWECECGKSA-N 0 0 380.941 3.563 20 10 GHCDRN CC(C)[C@@H](O)CCNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC001469960511 1068490082 /nfs/dbraw/zinc/49/00/82/1068490082.db2.gz PPKKUILDGWDYOK-KXBFYZLASA-N 0 0 381.948 3.783 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H](c4ccccc4C)C3)C2)cc1 ZINC001470009840 1068519220 /nfs/dbraw/zinc/51/92/20/1068519220.db2.gz QUTWJEVMISVMMJ-FHWLQOOXSA-N 0 0 379.504 3.828 20 10 GHCDRN COc1ccc(N(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC2CC2)cc1 ZINC001460129351 1068799035 /nfs/dbraw/zinc/79/90/35/1068799035.db2.gz LXAGANFKZGKWPX-QFIPXVFZSA-N 0 0 398.478 3.651 20 10 GHCDRN C[C@H](NC(=O)N1C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C)c1ccc(N(C)C)cc1 ZINC001478471112 1078881663 /nfs/dbraw/zinc/88/16/63/1078881663.db2.gz NUFDWQYPACTSJL-HLLBOEOZSA-N 0 0 390.528 3.511 20 10 GHCDRN COc1ccccc1-c1cc(CNC(=O)c2cc3cc(O)c(O)cc3s2)on1 ZINC001470502365 1072596455 /nfs/dbraw/zinc/59/64/55/1072596455.db2.gz NWQOTJJZUHKCBC-UHFFFAOYSA-N 0 0 396.424 3.906 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001470556073 1072624164 /nfs/dbraw/zinc/62/41/64/1072624164.db2.gz MBZPHFYNFFPCFR-HOTGVXAUSA-N 0 0 384.480 3.961 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCc1ccc2cnn(C)c2c1 ZINC001478704486 1078961562 /nfs/dbraw/zinc/96/15/62/1078961562.db2.gz FASQTASWFPFRFW-UHFFFAOYSA-N 0 0 377.492 3.515 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001478841570 1079000766 /nfs/dbraw/zinc/00/07/66/1079000766.db2.gz YXUAZGGQZYMWDM-VGSWGCGISA-N 0 0 399.510 3.914 20 10 GHCDRN CC[C@H](CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C(=O)OC(C)(C)C ZINC001478841437 1079000852 /nfs/dbraw/zinc/00/08/52/1079000852.db2.gz WKUBMHZUTHLODA-DLBZAZTESA-N 0 0 391.556 3.659 20 10 GHCDRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)c1ccccc1O ZINC001471195365 1072961763 /nfs/dbraw/zinc/96/17/63/1072961763.db2.gz FLDGSDWGLAALDI-VQIMIIECSA-N 0 0 384.476 3.911 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N3CCc4ccc(Cl)cc4C3)C2)cc1 ZINC001478859785 1079005695 /nfs/dbraw/zinc/00/56/95/1079005695.db2.gz HSCCTEKZVXPHML-MRXNPFEDSA-N 0 0 399.922 3.943 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@@H](C)C(=O)OCC(C)C)ccc1C ZINC001471268043 1072989934 /nfs/dbraw/zinc/98/99/34/1072989934.db2.gz DZNQXEIKFNOOQT-INIZCTEOSA-N 0 0 384.476 3.533 20 10 GHCDRN Cc1ccc(-n2ccnc2SCC(=O)N2Cc3cccc(O)c3C2)cc1C ZINC001471359121 1073037951 /nfs/dbraw/zinc/03/79/51/1073037951.db2.gz SKAYKRMEBJLYEA-UHFFFAOYSA-N 0 0 379.485 3.829 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)NC3(c4ccccc4F)CCC3)C2)cc1 ZINC001478957450 1079038662 /nfs/dbraw/zinc/03/86/62/1079038662.db2.gz OZEUJEKFEURSEY-MRXNPFEDSA-N 0 0 383.467 3.792 20 10 GHCDRN CC(C)(C)Cc1nc(-c2ccc(C(=O)NCc3cccc(O)c3O)cc2)no1 ZINC001471642486 1073167266 /nfs/dbraw/zinc/16/72/66/1073167266.db2.gz WDQAZFZKKWTHED-UHFFFAOYSA-N 0 0 381.432 3.666 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H](O)c2c(F)cccc2F)c1 ZINC001471867589 1073237130 /nfs/dbraw/zinc/23/71/30/1073237130.db2.gz SGIJBQSIJCSQGQ-HXUWFJFHSA-N 0 0 398.409 3.648 20 10 GHCDRN COc1cccc([C@H](CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)OC)c1 ZINC001479025842 1079070102 /nfs/dbraw/zinc/07/01/02/1079070102.db2.gz UMQLVZWMTVXZIS-QFIPXVFZSA-N 0 0 397.519 3.825 20 10 GHCDRN C[C@](O)(CSc1cccc(F)c1)C(=O)NCc1c(O)ccc2ccccc21 ZINC001472085164 1073329212 /nfs/dbraw/zinc/32/92/12/1073329212.db2.gz LRXFVKGAIFRSNU-NRFANRHFSA-N 0 0 385.460 3.844 20 10 GHCDRN O=C(NCc1c(O)ccc2ccccc21)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC001472085553 1073329216 /nfs/dbraw/zinc/32/92/16/1073329216.db2.gz VLBKGZBJESFHEZ-UHFFFAOYSA-N 0 0 394.381 3.670 20 10 GHCDRN Cc1cc(CNC(=O)N2CC(O)(c3ccccc3)C2)c(C)n1-c1cccc(C)c1 ZINC001479100490 1079102301 /nfs/dbraw/zinc/10/23/01/1079102301.db2.gz UXHLXPHWZNQMLL-UHFFFAOYSA-N 0 0 389.499 3.816 20 10 GHCDRN COc1ccc(O)c([C@H](C)Nc2ccc3nnc(-c4cccc(F)c4)n3n2)c1 ZINC001472688068 1073619350 /nfs/dbraw/zinc/61/93/50/1073619350.db2.gz RCDWAZQWIHDMTQ-LBPRGKRZSA-N 0 0 379.395 3.818 20 10 GHCDRN COC(=O)c1ccc(-n2c(C)cc(C(=O)COc3ccc(C)cn3)c2C)cc1 ZINC001472991962 1073743935 /nfs/dbraw/zinc/74/39/35/1073743935.db2.gz IGPUBOSCXXXNOD-UHFFFAOYSA-N 0 0 378.428 3.846 20 10 GHCDRN Cc1cc(F)ccc1[C@@H](C)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001479251623 1079165761 /nfs/dbraw/zinc/16/57/61/1079165761.db2.gz MLTSQXNQIBRZLZ-QGZVFWFLSA-N 0 0 399.510 3.903 20 10 GHCDRN CC[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001473222726 1073871235 /nfs/dbraw/zinc/87/12/35/1073871235.db2.gz IKUMVPJAWHVRAD-LSDHHAIUSA-N 0 0 376.456 3.521 20 10 GHCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2CC(=O)Nc1cccc2nsnc21 ZINC001473569752 1074021903 /nfs/dbraw/zinc/02/19/03/1074021903.db2.gz KHFVNVHUEDRGBI-HNNXBMFYSA-N 0 0 396.516 3.973 20 10 GHCDRN COc1ccc([C@@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])N2CCCCC2)cc1 ZINC001473916870 1074202206 /nfs/dbraw/zinc/20/22/06/1074202206.db2.gz OHGAMCPOBWNJSA-HXUWFJFHSA-N 0 0 376.447 3.996 20 10 GHCDRN COc1ccc(CNCc2c(F)c(F)cc(F)c2F)cc1Cn1cccn1 ZINC001474039193 1074244766 /nfs/dbraw/zinc/24/47/66/1074244766.db2.gz OEHUADWKENKGFY-UHFFFAOYSA-N 0 0 379.357 3.786 20 10 GHCDRN O=S(=O)(c1cccc(NCc2cc(F)cc(F)c2O)c1)N1CCCCCC1 ZINC001474139430 1074274354 /nfs/dbraw/zinc/27/43/54/1074274354.db2.gz GJAIVASMDDQRGV-UHFFFAOYSA-N 0 0 396.459 3.847 20 10 GHCDRN C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001474379001 1074374650 /nfs/dbraw/zinc/37/46/50/1074374650.db2.gz BXGZOXPOWFCPCG-HNNXBMFYSA-N 0 0 398.894 3.974 20 10 GHCDRN CCOC(=O)CC[N@H+](Cc1cc(Cl)cc(Br)c1[O-])C1CC1 ZINC001474379524 1074376019 /nfs/dbraw/zinc/37/60/19/1074376019.db2.gz WIKMIUPFQWWPIP-UHFFFAOYSA-N 0 0 376.678 3.726 20 10 GHCDRN CCCN(CC(=O)OC(C)(C)C)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001474426030 1074401413 /nfs/dbraw/zinc/40/14/13/1074401413.db2.gz PLNVXQOAEKOYIV-UHFFFAOYSA-N 0 0 392.471 3.658 20 10 GHCDRN COC(=O)[C@@](C)(C[NH2+]Cc1cc(Br)cc(F)c1[O-])c1ccccc1 ZINC001474447049 1074410024 /nfs/dbraw/zinc/41/00/24/1074410024.db2.gz URXMGPJSJFCNSK-SFHVURJKSA-N 0 0 396.256 3.514 20 10 GHCDRN COc1c(O)c(CN[C@@H](CCC(C)(C)C)C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001474530447 1074451794 /nfs/dbraw/zinc/45/17/94/1074451794.db2.gz PAJRTQGOSJTZPL-AWEZNQCLSA-N 0 0 396.484 3.935 20 10 GHCDRN CNC(=O)c1cc(Oc2cccc(NCc3c(C)cc(OC)cc3O)c2)ccn1 ZINC001474548569 1074459256 /nfs/dbraw/zinc/45/92/56/1074459256.db2.gz CLQSWLSPHJOCFD-UHFFFAOYSA-N 0 0 393.443 3.868 20 10 GHCDRN COC(=O)[C@H](NCc1cc(C)cc(OC)c1O)c1cccc(C(F)(F)F)c1 ZINC001474695401 1074520688 /nfs/dbraw/zinc/52/06/88/1074520688.db2.gz KDRSVPCXCZJXNL-MRXNPFEDSA-N 0 0 383.366 3.732 20 10 GHCDRN COc1cc(C(C)C)c(S(=O)(=O)NCc2cccc(Cl)c2O)cc1C ZINC001475774345 1075019077 /nfs/dbraw/zinc/01/90/77/1075019077.db2.gz AJSUCYGKIYPOJH-UHFFFAOYSA-N 0 0 383.897 3.965 20 10 GHCDRN CN(C)c1ccnc(NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)n1 ZINC001476343113 1075129628 /nfs/dbraw/zinc/12/96/28/1075129628.db2.gz BYHAJMCBBAHJKI-UHFFFAOYSA-N 0 0 382.512 3.633 20 10 GHCDRN O=C1C(=Cc2ccccc2)SC(=S)N1c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000738292320 598359884 /nfs/dbraw/zinc/35/98/84/598359884.db2.gz YTFPSZQPIIZBAJ-ZSOIEALJSA-N 0 0 399.888 3.926 20 10 GHCDRN Cc1cc(C(=O)Nc2nc(C)c(C)s2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737483356 598610888 /nfs/dbraw/zinc/61/08/88/598610888.db2.gz VDUBIADYKYQHKM-UHFFFAOYSA-N 0 0 393.476 3.600 20 10 GHCDRN COc1ccc(N2CCC([NH2+]Cc3ccc([C@@H](C)NC(=O)[O-])cc3)CC2)cc1 ZINC000829423670 605119987 /nfs/dbraw/zinc/11/99/87/605119987.db2.gz JTYMOGXIVUMQQZ-MRXNPFEDSA-N 0 0 383.492 3.782 20 10 GHCDRN C[C@@H](c1ccccc1)N1C(=O)C(=Cc2cc(-c3nn[nH]n3)cs2)SC1=S ZINC000820570501 606335793 /nfs/dbraw/zinc/33/57/93/606335793.db2.gz KXKNWSZBJFAIDV-CEITULEQSA-N 0 0 399.526 3.891 20 10 GHCDRN Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nn[nH]n4)s3)SC2=S)cc1 ZINC000822241368 606389357 /nfs/dbraw/zinc/38/93/57/606389357.db2.gz SZVVLRFZCMXZBO-MDWZMJQESA-N 0 0 385.499 3.642 20 10 GHCDRN C[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(-c3nn[nH]n3)s2)SC1=S ZINC000820570780 606393681 /nfs/dbraw/zinc/39/36/81/606393681.db2.gz RDQNGZMNVSDINH-RSYJBZMQSA-N 0 0 399.526 3.891 20 10 GHCDRN Oc1ccccc1CN(Cc1ccco1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000826511287 608407645 /nfs/dbraw/zinc/40/76/45/608407645.db2.gz JMWNXLXCLLRRTL-UHFFFAOYSA-N 0 0 379.395 3.507 20 10 GHCDRN Oc1c(F)cccc1CNc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826510660 609485174 /nfs/dbraw/zinc/48/51/74/609485174.db2.gz DHOKTIIZJFKBGY-UHFFFAOYSA-N 0 0 391.406 3.903 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000173192614 837593241 /nfs/dbraw/zinc/59/32/41/837593241.db2.gz QVAUTKOEGKLJRB-UHFFFAOYSA-N 0 0 387.386 3.875 20 10 GHCDRN COc1ccc(Br)c(C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000173197985 837596361 /nfs/dbraw/zinc/59/63/61/837596361.db2.gz AVZGNRAVPQDHRP-UHFFFAOYSA-N 0 0 391.265 3.563 20 10 GHCDRN CCN(C)c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)nc3)C2=O)cn1 ZINC000588577578 834560956 /nfs/dbraw/zinc/56/09/56/834560956.db2.gz JYNIWSMUNLICGR-JYRVWZFOSA-N 0 0 390.921 3.992 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(F)c(Cl)cc1F ZINC000136806747 834576858 /nfs/dbraw/zinc/57/68/58/834576858.db2.gz YDYHCCVPZPYZBS-UHFFFAOYSA-N 0 0 398.812 3.648 20 10 GHCDRN COc1ccc(N2CCN(C(=O)[C@H](C)CSCc3ccccc3)CC2)cc1 ZINC001266268145 834625336 /nfs/dbraw/zinc/62/53/36/834625336.db2.gz BIZUUMJNXNDMAR-GOSISDBHSA-N 0 0 384.545 3.913 20 10 GHCDRN C[C@@H](NC(=O)N[C@@H](C)CCc1ccc(O)cc1)c1ccc(N2CCOCC2)cc1 ZINC000065698163 835054827 /nfs/dbraw/zinc/05/48/27/835054827.db2.gz XNVGFYPREDYCFR-ZWKOTPCHSA-N 0 0 397.519 3.610 20 10 GHCDRN C[C@@H](NC(=O)NCc1cccc(Cl)c1O)c1cccc(N2CCOC2=O)c1 ZINC000892358953 835057516 /nfs/dbraw/zinc/05/75/16/835057516.db2.gz ICEIUHBCMYCAPA-GFCCVEGCSA-N 0 0 389.839 3.563 20 10 GHCDRN COc1cccc(N2CC[C@H](NC(=O)c3cc(C)n(-c4ccccn4)c3C)C2)c1 ZINC000728192548 835089879 /nfs/dbraw/zinc/08/98/79/835089879.db2.gz KGCVRCFCZCVHRL-SFHVURJKSA-N 0 0 390.487 3.506 20 10 GHCDRN C[C@@H](Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccc2ccccc2c1O ZINC000278450979 835121200 /nfs/dbraw/zinc/12/12/00/835121200.db2.gz LNSTVHHMNNECGZ-OAHLLOKOSA-N 0 0 388.475 3.891 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000008679833 835222141 /nfs/dbraw/zinc/22/21/41/835222141.db2.gz JRSAEMBKSYHKED-UHFFFAOYSA-N 0 0 395.381 3.948 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1OCC(C)C ZINC000052705248 835283026 /nfs/dbraw/zinc/28/30/26/835283026.db2.gz FLGDPNHIWGQOKX-UHFFFAOYSA-N 0 0 397.519 3.775 20 10 GHCDRN COc1ccccc1/C(C)=C\C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000254967495 835425487 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Cc1cccc2cc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)oc21 ZINC000149872635 835839666 /nfs/dbraw/zinc/83/96/66/835839666.db2.gz POILAJXBDSYIHY-UHFFFAOYSA-N 0 0 382.435 3.771 20 10 GHCDRN COCc1nnc(-c2cccc(C(=O)NCc3c(C)c4ccccc4n3C)c2)o1 ZINC000471218220 835936113 /nfs/dbraw/zinc/93/61/13/835936113.db2.gz BFGREZYXSQTRGJ-UHFFFAOYSA-N 0 0 390.443 3.613 20 10 GHCDRN COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471222437 835980408 /nfs/dbraw/zinc/98/04/08/835980408.db2.gz GQMFJMOZBLFOOG-IEBWSBKVSA-N 0 0 378.472 3.924 20 10 GHCDRN Oc1cc2c(cc1CN1CCO[C@@H](c3cccc(C(F)(F)F)c3)C1)OCO2 ZINC000177170592 836030187 /nfs/dbraw/zinc/03/01/87/836030187.db2.gz QYTJCAASJPZVCJ-GOSISDBHSA-N 0 0 381.350 3.713 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000473278196 844142576 /nfs/dbraw/zinc/14/25/76/844142576.db2.gz HDKAAIKGKVUDTA-RBUKOAKNSA-N 0 0 381.520 3.532 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1F ZINC000177282705 836243940 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CN(C)c1ccc(CN(C)C(=O)COC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000007197966 876557329 /nfs/dbraw/zinc/55/73/29/876557329.db2.gz VZPSMGMHQCBGJH-UHFFFAOYSA-N 0 0 382.504 3.866 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3cc(-c4ccoc4C)on3)CC2)cc1 ZINC000786216080 876562899 /nfs/dbraw/zinc/56/28/99/876562899.db2.gz GBVZMWIQKCXMML-UHFFFAOYSA-N 0 0 382.420 3.606 20 10 GHCDRN Cc1cn2c(n1)C[C@H](C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1)CC2 ZINC000858352966 883042926 /nfs/dbraw/zinc/04/29/26/883042926.db2.gz HWLZVCFJMBVPID-LJQANCHMSA-N 0 0 392.503 3.642 20 10 GHCDRN COc1ccc(-c2nc(C(=O)NCc3ccc(N(C)C)cc3)cs2)cc1OC ZINC000007243782 876651236 /nfs/dbraw/zinc/65/12/36/876651236.db2.gz PMZBYKCTTIZLRY-UHFFFAOYSA-N 0 0 397.500 3.823 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)c2coc(C3CCCCC3)n2)cc1 ZINC000786430193 876687907 /nfs/dbraw/zinc/68/79/07/876687907.db2.gz XVBDTKGZIZABQZ-UHFFFAOYSA-N 0 0 399.491 3.604 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@H]2CC23CCOCC3)c(C)n1-c1cccc(F)c1 ZINC000786458785 876721353 /nfs/dbraw/zinc/72/13/53/876721353.db2.gz SFINSYYBILQHNZ-LJQANCHMSA-N 0 0 385.435 3.776 20 10 GHCDRN COc1cc(CNc2cccc(NS(C)(=O)=O)c2)c(O)c(C(C)(C)C)c1 ZINC000850204316 876724474 /nfs/dbraw/zinc/72/44/74/876724474.db2.gz NOFRJNOCORDPHJ-UHFFFAOYSA-N 0 0 378.494 3.682 20 10 GHCDRN CN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C1(C)CCCC1 ZINC000786540659 876751199 /nfs/dbraw/zinc/75/11/99/876751199.db2.gz FEFSWGUGJSPCIP-UHFFFAOYSA-N 0 0 392.411 3.775 20 10 GHCDRN Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000786585522 876772881 /nfs/dbraw/zinc/77/28/81/876772881.db2.gz WNUOMCWKBIEYPE-JSGCOSHPSA-N 0 0 382.273 3.856 20 10 GHCDRN CCc1cccc2c(CC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c[nH]c21 ZINC000109208090 876782795 /nfs/dbraw/zinc/78/27/95/876782795.db2.gz FPYVRKYWIAJPIL-QGZVFWFLSA-N 0 0 391.515 3.987 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccc3c(c2)C=CCCC3)cc1 ZINC000850345293 876834772 /nfs/dbraw/zinc/83/47/72/876834772.db2.gz SAQLKEHUDSQDGV-UHFFFAOYSA-N 0 0 377.488 3.699 20 10 GHCDRN COc1ccc(N2CC[C@@H]([NH2+]Cc3cccc(Br)c3[O-])C2)cc1 ZINC000850346694 876837427 /nfs/dbraw/zinc/83/74/27/876837427.db2.gz WYQJTPOJUIBBAY-CQSZACIVSA-N 0 0 377.282 3.532 20 10 GHCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1 ZINC000152117883 876888291 /nfs/dbraw/zinc/88/82/91/876888291.db2.gz GJLULAAZRZDIPB-OAHLLOKOSA-N 0 0 390.443 3.728 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)c(C)n1-c1ccc(F)cc1 ZINC000747199279 883079844 /nfs/dbraw/zinc/07/98/44/883079844.db2.gz VCTUKTAPFDLICQ-OAHLLOKOSA-N 0 0 383.389 3.600 20 10 GHCDRN C[C@H]([NH2+][C@@H](CO)C1CCC1)c1cc(Br)cc(Br)c1[O-] ZINC000850488963 876965105 /nfs/dbraw/zinc/96/51/05/876965105.db2.gz QDGQRJIHENQNMZ-SDBXPKJASA-N 0 0 393.119 3.729 20 10 GHCDRN C[C@@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1cc(Br)c(F)cc1[O-] ZINC000850500963 876975354 /nfs/dbraw/zinc/97/53/54/876975354.db2.gz LMJHPWPCBIJRFD-BMIGLBTASA-N 0 0 393.256 3.532 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccccc1OC(C)C ZINC000786860991 876988445 /nfs/dbraw/zinc/98/84/45/876988445.db2.gz WRBKAMNIESYOPU-UHFFFAOYSA-N 0 0 398.503 3.625 20 10 GHCDRN C[C@@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Br)cc(F)c1[O-] ZINC000850558094 877023822 /nfs/dbraw/zinc/02/38/22/877023822.db2.gz PYCIYAUKSIDSHZ-GHMZBOCLSA-N 0 0 387.293 3.591 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N(C)CC3(C)COC3)cc2Cl)C1 ZINC000858426281 883088442 /nfs/dbraw/zinc/08/84/42/883088442.db2.gz OGDMIDHQVVALOM-OAHLLOKOSA-N 0 0 379.932 3.754 20 10 GHCDRN Cc1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(Cl)c2[O-])c(=O)n1C ZINC000786933547 877063975 /nfs/dbraw/zinc/06/39/75/877063975.db2.gz AQSKUXKEQIAKMM-JTQLQIEISA-N 0 0 385.689 3.666 20 10 GHCDRN C[C@H](NC(=O)C(=O)NCc1cccc(Cl)c1Cl)c1ccc(N(C)C)cc1 ZINC000786943150 877068192 /nfs/dbraw/zinc/06/81/92/877068192.db2.gz FUQMFYNXFYJAHT-LBPRGKRZSA-N 0 0 394.302 3.553 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](c1ccccc1F)C(C)C ZINC000850626309 877077692 /nfs/dbraw/zinc/07/76/92/877077692.db2.gz RQITVWKNRWNPCQ-HXUWFJFHSA-N 0 0 386.467 3.783 20 10 GHCDRN CCN(CC)C(=O)C1CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 ZINC000109470153 877104113 /nfs/dbraw/zinc/10/41/13/877104113.db2.gz HGDXMGSIXIZIQT-UHFFFAOYSA-N 0 0 399.510 3.954 20 10 GHCDRN CN(Cc1c(Br)cnn1C)Cc1ccc(N2CCCCC2)cc1 ZINC000787044307 877117274 /nfs/dbraw/zinc/11/72/74/877117274.db2.gz ZOCZFCQHYHEOJS-UHFFFAOYSA-N 0 0 377.330 3.805 20 10 GHCDRN C[C@@H]1[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)CCN1C(=O)OC(C)(C)C ZINC000787132354 877181810 /nfs/dbraw/zinc/18/18/10/877181810.db2.gz ZAGUSDSVGAQWAX-ZBFHGGJFSA-N 0 0 388.508 3.533 20 10 GHCDRN C[C@@H]1[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)CCN1C(=O)OC(C)(C)C ZINC000787132349 877181938 /nfs/dbraw/zinc/18/19/38/877181938.db2.gz ZAGUSDSVGAQWAX-GDBMZVCRSA-N 0 0 388.508 3.533 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NC[C@H](c3cccnc3)C(C)C)CC2)cc1 ZINC000175479912 877203921 /nfs/dbraw/zinc/20/39/21/877203921.db2.gz YLKOVHQZUKGBLC-QFIPXVFZSA-N 0 0 396.535 3.752 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@@H](CC(N)=O)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000746655459 877212168 /nfs/dbraw/zinc/21/21/68/877212168.db2.gz XLDQHCAAZPIGJQ-SFHVURJKSA-N 0 0 381.520 3.945 20 10 GHCDRN Cc1cc(C(=O)N2CCC[C@H](CC(N)=O)C2)c(C)n1-c1cccc(C(C)C)c1 ZINC000746649946 877221738 /nfs/dbraw/zinc/22/17/38/877221738.db2.gz DHNRXJKFXVGYCF-GOSISDBHSA-N 0 0 381.520 3.945 20 10 GHCDRN CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)C=Cc1ccc(O)c(O)c1 ZINC000180943679 883111969 /nfs/dbraw/zinc/11/19/69/883111969.db2.gz FNHGLGFXOQHASP-ZRDIBKRKSA-N 0 0 377.444 3.592 20 10 GHCDRN CCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000109601011 877265732 /nfs/dbraw/zinc/26/57/32/877265732.db2.gz WESBVZZCFJFGEB-QGZVFWFLSA-N 0 0 385.483 3.612 20 10 GHCDRN COc1ccc2c(c1)CCCN2CN1C[C@H](c2cc(F)c(F)c(F)c2)CC1=O ZINC000787226647 877279632 /nfs/dbraw/zinc/27/96/32/877279632.db2.gz VRLDXGRHGPYTNZ-OAHLLOKOSA-N 0 0 390.405 3.839 20 10 GHCDRN COc1cccc(CNC(=O)c2cc3ccccc3n2CC(F)(F)F)c1O ZINC000787446247 877408259 /nfs/dbraw/zinc/40/82/59/877408259.db2.gz QCYKAQCFIXCGKQ-UHFFFAOYSA-N 0 0 378.350 3.848 20 10 GHCDRN Cc1cnc(Cl)c(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000787451515 877411796 /nfs/dbraw/zinc/41/17/96/877411796.db2.gz UYPFEWPWAYGVIO-UHFFFAOYSA-N 0 0 376.913 3.918 20 10 GHCDRN COc1ccc(N(C[C@H](O)COc2ccc(NC(C)=O)cc2)[C@@H](C)C2CC2)cc1 ZINC000109773938 877430378 /nfs/dbraw/zinc/43/03/78/877430378.db2.gz IPTFLOUFTSVSTH-KKSFZXQISA-N 0 0 398.503 3.698 20 10 GHCDRN CCNC(=O)c1cccc(NC(=O)CN(c2ccc(OC)cc2)[C@H](C)C2CC2)c1 ZINC000109774251 877430744 /nfs/dbraw/zinc/43/07/44/877430744.db2.gz WIAQDAROVROYNH-MRXNPFEDSA-N 0 0 395.503 3.689 20 10 GHCDRN O=C(Nc1cccc(Cl)n1)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000285289522 912234026 /nfs/dbraw/zinc/23/40/26/912234026.db2.gz PPGZAIISDYNEEI-UHFFFAOYSA-N 0 0 387.867 3.741 20 10 GHCDRN CCN(Cc1ccccc1)c1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000787788726 877621413 /nfs/dbraw/zinc/62/14/13/877621413.db2.gz TZLLPPAPVVEYDK-UHFFFAOYSA-N 0 0 395.528 3.973 20 10 GHCDRN CCN(CC)c1ccc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000179571551 877708205 /nfs/dbraw/zinc/70/82/05/877708205.db2.gz UJCFQPQOROKTJU-UHFFFAOYSA-N 0 0 383.495 3.518 20 10 GHCDRN Cc1cc(C(=O)Cn2cc(F)ccc2=O)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000788061655 877806832 /nfs/dbraw/zinc/80/68/32/877806832.db2.gz RYIYMXUMYYJUJO-UHFFFAOYSA-N 0 0 390.361 3.879 20 10 GHCDRN CC(C)OCC[C@@H](O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000788065989 877821006 /nfs/dbraw/zinc/82/10/06/877821006.db2.gz HEDMFWKRTLGSQU-MOPGFXCFSA-N 0 0 390.549 3.997 20 10 GHCDRN CCN(CC)c1ccc(CNc2cc(CS(C)(=O)=O)ccc2OC)cc1F ZINC000285435893 912289073 /nfs/dbraw/zinc/28/90/73/912289073.db2.gz HXUSGBAGZFVLGI-UHFFFAOYSA-N 0 0 394.512 3.837 20 10 GHCDRN Cc1ccc(C2(C(=O)NCc3ccc4c(c3)CCCN4C)CCOCC2)cc1 ZINC000110259204 877951058 /nfs/dbraw/zinc/95/10/58/877951058.db2.gz WUFJSQUCBIMRKI-UHFFFAOYSA-N 0 0 378.516 3.742 20 10 GHCDRN Cc1ccnc(-n2nccc2NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000788299403 877978062 /nfs/dbraw/zinc/97/80/62/877978062.db2.gz KXSCLRXNSXRJHM-UHFFFAOYSA-N 0 0 390.491 3.838 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)Nc2ccc(C(F)(F)F)nn2)C2CC2)cc1 ZINC000788300409 877979679 /nfs/dbraw/zinc/97/96/79/877979679.db2.gz WKRDJIXXAYATAZ-UHFFFAOYSA-N 0 0 379.386 3.758 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)NCc3ccccc3COC(C)C)C2)cc1 ZINC000851931786 877985314 /nfs/dbraw/zinc/98/53/14/877985314.db2.gz BTMKJPPLGGLQOG-HXUWFJFHSA-N 0 0 397.519 3.698 20 10 GHCDRN O=C(NCc1cc2ccccc2s1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852009942 878028838 /nfs/dbraw/zinc/02/88/38/878028838.db2.gz RAMUUTVSIDUHCO-UHFFFAOYSA-N 0 0 395.528 3.862 20 10 GHCDRN C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc2c(c1)CCCO2 ZINC000852138060 878095208 /nfs/dbraw/zinc/09/52/08/878095208.db2.gz FRCRRJPIJJDRCV-QGZVFWFLSA-N 0 0 377.488 3.948 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C1CCC(OC[C@@H]2CCCO2)CC1 ZINC000551981447 878104086 /nfs/dbraw/zinc/10/40/86/878104086.db2.gz DQFGZOPBLGDWKR-ACBHZAAOSA-N 0 0 384.520 3.857 20 10 GHCDRN C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)c1cccc(C(F)(F)F)c1[O-] ZINC000788505880 878113827 /nfs/dbraw/zinc/11/38/27/878113827.db2.gz UPBSMYRIYCHEEY-RDJZCZTQSA-N 0 0 394.437 3.963 20 10 GHCDRN COc1cccc(CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)c1O ZINC000179874468 878134562 /nfs/dbraw/zinc/13/45/62/878134562.db2.gz CLJSFJPLRDIOPM-UHFFFAOYSA-N 0 0 395.528 3.842 20 10 GHCDRN COc1cc(OC)c2ncnc(N3CC=C(c4ccc(Cl)nc4)CC3)c2c1 ZINC000788544189 878138711 /nfs/dbraw/zinc/13/87/11/878138711.db2.gz ILHYHDNOEILOGO-UHFFFAOYSA-N 0 0 382.851 3.989 20 10 GHCDRN COc1c(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)oc2ccccc21 ZINC000852274004 878192088 /nfs/dbraw/zinc/19/20/88/878192088.db2.gz CKKKOPIAVNHSQX-OAHLLOKOSA-N 0 0 395.459 3.528 20 10 GHCDRN Nc1ccc(CC(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000237882471 878216145 /nfs/dbraw/zinc/21/61/45/878216145.db2.gz COUOBZQZXWQNQP-QGZVFWFLSA-N 0 0 392.286 3.748 20 10 GHCDRN CN1CCCc2cc(CNC(=O)Nc3cc4c(cc3Cl)OCCO4)ccc21 ZINC000746759252 878274071 /nfs/dbraw/zinc/27/40/71/878274071.db2.gz DPEIQOSZIJZWSV-UHFFFAOYSA-N 0 0 387.867 3.815 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N3CCOc4ccccc4[C@@H]3C)C2)cc1 ZINC000852386920 878294401 /nfs/dbraw/zinc/29/44/01/878294401.db2.gz MQSPXDMCVLIYDP-ZWKOTPCHSA-N 0 0 395.503 3.687 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)N3CC4CC3(c3ccccc3)C4)C2)cc1 ZINC000852388226 878294426 /nfs/dbraw/zinc/29/44/26/878294426.db2.gz ZWCFBSWTVMWMSZ-BHWOZTKKSA-N 0 0 391.515 3.852 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)C1CCC(F)(F)CC1 ZINC000852402518 878301577 /nfs/dbraw/zinc/30/15/77/878301577.db2.gz FCTGTZNPJNNYPW-HNNXBMFYSA-N 0 0 395.494 3.661 20 10 GHCDRN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3ccc(O)c(C)c3)cc2c1C ZINC000788748869 878322464 /nfs/dbraw/zinc/32/24/64/878322464.db2.gz MDYAFECDXKLCNL-UHFFFAOYSA-N 0 0 389.429 3.733 20 10 GHCDRN C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc2c(c1)OCO2)c1cccc(C(F)(F)F)c1[O-] ZINC000788794259 878322797 /nfs/dbraw/zinc/32/27/97/878322797.db2.gz FZHLQMOZMIKSHU-DINDLPBHSA-N 0 0 383.366 3.912 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N(CCC(F)(F)F)CC3CC3)C2)cc1 ZINC000852455614 878336347 /nfs/dbraw/zinc/33/63/47/878336347.db2.gz UZVNBXPHXWBFTA-HNNXBMFYSA-N 0 0 385.430 3.648 20 10 GHCDRN CC(C)[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@H](O)c1ccccc1 ZINC000788928902 878427159 /nfs/dbraw/zinc/42/71/59/878427159.db2.gz PINVYHNNJGEUPE-FCHUYYIVSA-N 0 0 381.520 3.626 20 10 GHCDRN COC(=O)[C@](C)(CCF)NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000852578755 878437403 /nfs/dbraw/zinc/43/74/03/878437403.db2.gz UBHKHULDNKWWHJ-FQEVSTJZSA-N 0 0 386.427 3.921 20 10 GHCDRN Cn1ncc(C2CCC2)c1CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000852608585 878466639 /nfs/dbraw/zinc/46/66/39/878466639.db2.gz LITXXRLZFFAKLM-UHFFFAOYSA-N 0 0 383.279 3.699 20 10 GHCDRN CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788936222 878483243 /nfs/dbraw/zinc/48/32/43/878483243.db2.gz ISBQTZRPQZSWBJ-FPOVZHCZSA-N 0 0 385.552 3.624 20 10 GHCDRN Cc1cc(CNC2(C(=O)OC(C)(C)C)CCOCC2)ccc1N1CCCCC1 ZINC000852753506 878579744 /nfs/dbraw/zinc/57/97/44/878579744.db2.gz MEVBCXAGYYMDCD-UHFFFAOYSA-N 0 0 388.552 3.966 20 10 GHCDRN 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ZINC000804681902 883240274 /nfs/dbraw/zinc/24/02/74/883240274.db2.gz HQJUQPHLOWPSRB-UHFFFAOYSA-N 0 0 382.258 3.743 20 10 GHCDRN CN(C)c1ccc(CNC(=O)CSCC(=O)c2ccc(Cl)cc2)cc1F ZINC000175075920 883241124 /nfs/dbraw/zinc/24/11/24/883241124.db2.gz LXFLGMQYQGILIO-UHFFFAOYSA-N 0 0 394.899 3.777 20 10 GHCDRN CSc1ccc(/C=C/C(=O)NCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000858625850 883241712 /nfs/dbraw/zinc/24/17/12/883241712.db2.gz DTGHINTYDLICGI-ZZXKWVIFSA-N 0 0 392.521 3.775 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CC(C)(C)OC3(C)C)cc2F)C[C@@H](C)O1 ZINC000858625865 883241848 /nfs/dbraw/zinc/24/18/48/883241848.db2.gz FDEGZNBGXZQKPY-INMHGKMJSA-N 0 0 392.515 3.649 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)c3cccc(OC(C)(C)C)n3)CC2)cc1 ZINC000858665735 883268207 /nfs/dbraw/zinc/26/82/07/883268207.db2.gz MBJPLAWFGPUGBO-UHFFFAOYSA-N 0 0 383.492 3.620 20 10 GHCDRN COC(=O)N1CCC(CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1 ZINC000804686122 883270075 /nfs/dbraw/zinc/27/00/75/883270075.db2.gz ZJSZEMJLJOOWHB-UHFFFAOYSA-N 0 0 383.492 3.611 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cc(F)c(F)cc1F ZINC000729853415 883274014 /nfs/dbraw/zinc/27/40/14/883274014.db2.gz XICHLEWAORUPIF-UHFFFAOYSA-N 0 0 398.450 3.915 20 10 GHCDRN Cc1cc(C(=O)NC[C@@H](O)COc2ccccc2)c(C)n1-c1cccc(C)c1 ZINC000747210911 883279298 /nfs/dbraw/zinc/27/92/98/883279298.db2.gz PKHUQBKGOSSJIQ-HXUWFJFHSA-N 0 0 378.472 3.572 20 10 GHCDRN COc1ccc([C@H](O)CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 ZINC000747210694 883280615 /nfs/dbraw/zinc/28/06/15/883280615.db2.gz XVTASHUVSGPPDT-OAQYLSRUSA-N 0 0 382.435 3.705 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](CCC)c1ccccn1 ZINC000804703525 883291146 /nfs/dbraw/zinc/29/11/46/883291146.db2.gz OMKCJNBVRCPNLG-IBGZPJMESA-N 0 0 383.492 3.574 20 10 GHCDRN CCOc1cc(/C=C/C(=O)NCc2cc(Br)ccc2O)ccc1O ZINC000804741373 883300944 /nfs/dbraw/zinc/30/09/44/883300944.db2.gz WPUDOIXZXOTALY-XBXARRHUSA-N 0 0 392.249 3.589 20 10 GHCDRN O=C(CCOc1cccc(Cl)c1)NCc1cc(Br)ccc1O ZINC000804737966 883321787 /nfs/dbraw/zinc/32/17/87/883321787.db2.gz XGLUMNWXMUWIFD-UHFFFAOYSA-N 0 0 384.657 3.893 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)c1cscc1Br ZINC000804738662 883323107 /nfs/dbraw/zinc/32/31/07/883323107.db2.gz YUSGWHZIDNNMLG-UHFFFAOYSA-N 0 0 391.084 3.909 20 10 GHCDRN Cc1ccc2occ(CC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c2c1 ZINC000858785278 883355798 /nfs/dbraw/zinc/35/57/98/883355798.db2.gz FRHQTASUZHJJNS-KRWDZBQOSA-N 0 0 378.472 3.998 20 10 GHCDRN CCOc1cccc(CCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000858785053 883355855 /nfs/dbraw/zinc/35/58/55/883355855.db2.gz CNKHYZPPYNIFOL-SFHVURJKSA-N 0 0 382.504 3.732 20 10 GHCDRN Cc1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)c(C)n1[C@H]1CCOC1 ZINC000858836449 883390715 /nfs/dbraw/zinc/39/07/15/883390715.db2.gz YYQFLUMORDRHHV-NRFANRHFSA-N 0 0 381.520 3.987 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001129973286 883397032 /nfs/dbraw/zinc/39/70/32/883397032.db2.gz GEHRORQCMQXZPO-JCGIZDLHSA-N 0 0 386.458 3.998 20 10 GHCDRN Cc1ccccc1C1=NO[C@H](C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001129974458 883397999 /nfs/dbraw/zinc/39/79/99/883397999.db2.gz PTANEMIPOQZLJI-VGSWGCGISA-N 0 0 379.504 3.610 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)[C@H](C)c2ccccc2)cc1F ZINC000804853520 883436047 /nfs/dbraw/zinc/43/60/47/883436047.db2.gz ZWZRGDHVGKGZSF-DLBZAZTESA-N 0 0 399.510 3.597 20 10 GHCDRN Cc1cc(CNC(=O)N2CC[C@H](c3nccn3C)C2)c(C)n1-c1ccccc1 ZINC000858905579 883445108 /nfs/dbraw/zinc/44/51/08/883445108.db2.gz DUCXNKXMNNCSGJ-SFHVURJKSA-N 0 0 377.492 3.527 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)Cc1noc2ccccc21 ZINC000760537917 883452851 /nfs/dbraw/zinc/45/28/51/883452851.db2.gz GTERTQWTBQFJTR-UHFFFAOYSA-N 0 0 387.505 3.634 20 10 GHCDRN CC(C)Oc1cncc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)c1 ZINC000859008429 883534815 /nfs/dbraw/zinc/53/48/15/883534815.db2.gz VGUJYZOMUHPAQO-UHFFFAOYSA-N 0 0 390.505 3.708 20 10 GHCDRN CC[C@H]1CCC[C@H](NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000805024646 883539406 /nfs/dbraw/zinc/53/94/06/883539406.db2.gz KULHSNKVAGGMGB-ICSRJNTNSA-N 0 0 385.552 3.624 20 10 GHCDRN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)NCc2cccc(OC)c2O)CC1=O ZINC000729859525 883567344 /nfs/dbraw/zinc/56/73/44/883567344.db2.gz RVOLAPOKODVQPN-WBVHZDCISA-N 0 0 396.487 3.584 20 10 GHCDRN COc1cccc(CNC(=O)c2csc(COc3ccc(F)cc3)n2)c1O ZINC000729859465 883577451 /nfs/dbraw/zinc/57/74/51/883577451.db2.gz RBBPDTCJBVAFKN-UHFFFAOYSA-N 0 0 388.420 3.505 20 10 GHCDRN CCOc1ccc(CNC(=O)NCc2cc(Br)ccc2O)cc1F ZINC000805081541 883599692 /nfs/dbraw/zinc/59/96/92/883599692.db2.gz WJSVPFMLFAPPDA-UHFFFAOYSA-N 0 0 397.244 3.692 20 10 GHCDRN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)NCc1cc(Br)ccc1O ZINC000805131671 883612126 /nfs/dbraw/zinc/61/21/26/883612126.db2.gz KBXOLGCAFRGKFS-MLGOLLRUSA-N 0 0 399.329 3.795 20 10 GHCDRN C[C@]1(c2ccccc2)C[C@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000805152637 883629618 /nfs/dbraw/zinc/62/96/18/883629618.db2.gz GNOJOROHGGMXNR-SJLPKXTDSA-N 0 0 375.266 3.684 20 10 GHCDRN CC[C@@H](NC(=O)NCc1cc(Br)ccc1O)c1c(C)noc1C ZINC000805234797 883679532 /nfs/dbraw/zinc/67/95/32/883679532.db2.gz QOCADLOOWZIISA-CYBMUJFWSA-N 0 0 382.258 3.710 20 10 GHCDRN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000175376649 883690563 /nfs/dbraw/zinc/69/05/63/883690563.db2.gz VYWRHRSXWBSOMB-YLJYHZDGSA-N 0 0 397.494 3.750 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H](C)c2c(C)noc2C)cc1 ZINC000859387197 883789080 /nfs/dbraw/zinc/78/90/80/883789080.db2.gz RXRCDTQQPLVULC-CQSZACIVSA-N 0 0 379.460 3.931 20 10 GHCDRN COC1CCN(c2ccc(CN3CCc4nc(C(C)(C)C)ncc4C3)cc2)CC1 ZINC000859442203 883816108 /nfs/dbraw/zinc/81/61/08/883816108.db2.gz IIHPTZGADVMPRD-UHFFFAOYSA-N 0 0 394.563 3.948 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000859459757 883826535 /nfs/dbraw/zinc/82/65/35/883826535.db2.gz GRVHPPDUROCVRB-GOTSBHOMSA-N 0 0 396.506 3.844 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)OCc3noc(C4CCC4)n3)ccc21 ZINC000859543905 883885342 /nfs/dbraw/zinc/88/53/42/883885342.db2.gz MSCVXSONIFVFNT-UHFFFAOYSA-N 0 0 383.448 3.912 20 10 GHCDRN CCc1cnc(CNC(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)s1 ZINC000859674249 883983016 /nfs/dbraw/zinc/98/30/16/883983016.db2.gz TWOHEBLKUHBTSV-UHFFFAOYSA-N 0 0 381.501 3.784 20 10 GHCDRN C[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc[nH]1 ZINC000760358296 883998327 /nfs/dbraw/zinc/99/83/27/883998327.db2.gz UEPCWPXCALILER-UONOGXRCSA-N 0 0 378.423 3.645 20 10 GHCDRN Cc1cccc(C)c1CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000805679219 884000649 /nfs/dbraw/zinc/00/06/49/884000649.db2.gz RVCJOKYDBQIEHW-UHFFFAOYSA-N 0 0 394.515 3.987 20 10 GHCDRN CCO[C@H](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C(C)C ZINC000760382981 884024114 /nfs/dbraw/zinc/02/41/14/884024114.db2.gz WHFNGFMHBWJCLR-GQIGUUNPSA-N 0 0 380.504 3.507 20 10 GHCDRN O=C(C1=CC(=O)CS1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000760451867 884113799 /nfs/dbraw/zinc/11/37/99/884113799.db2.gz YLXYUGXKEQHGIR-UHFFFAOYSA-N 0 0 382.279 3.900 20 10 GHCDRN O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1C[C@H](CO)c2ccccc21 ZINC000498353448 884117137 /nfs/dbraw/zinc/11/71/37/884117137.db2.gz JEBXXEPXPQMGNX-GOSISDBHSA-N 0 0 396.450 3.671 20 10 GHCDRN Cc1ccccc1[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000805875915 884169639 /nfs/dbraw/zinc/16/96/39/884169639.db2.gz BRVZEODDGCZMNO-HRAATJIYSA-N 0 0 379.504 3.506 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1 ZINC000860065856 884303110 /nfs/dbraw/zinc/30/31/10/884303110.db2.gz PGHVZEHAYWIFIU-VSKRKVRLSA-N 0 0 380.488 3.523 20 10 GHCDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc(Br)ccc1O ZINC000806087230 884334538 /nfs/dbraw/zinc/33/45/38/884334538.db2.gz CFLVSYLSMWMHSJ-UHFFFAOYSA-N 0 0 380.198 3.693 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1nccn1-c1ccccc1 ZINC000806065583 884348572 /nfs/dbraw/zinc/34/85/72/884348572.db2.gz IKPJLMWCPAZGIM-KRWDZBQOSA-N 0 0 389.503 3.815 20 10 GHCDRN Cc1cc(C(=O)OCC(=O)N2CCCc3ccccc32)c(C)n1-c1ccccn1 ZINC000914613516 884349008 /nfs/dbraw/zinc/34/90/08/884349008.db2.gz DRFPMGWYRCKREY-UHFFFAOYSA-N 0 0 389.455 3.625 20 10 GHCDRN CC(C)Cc1nnc(NC(=O)NCc2cc(Br)ccc2O)s1 ZINC000806132196 884351212 /nfs/dbraw/zinc/35/12/12/884351212.db2.gz SLBAMTTYTYMAIA-UHFFFAOYSA-N 0 0 385.287 3.526 20 10 GHCDRN CC[C@H]([NH2+]C[C@@H](CO)Cc1cc(OC)cc(OC)c1)c1cccc(Cl)c1[O-] ZINC000806141049 884400369 /nfs/dbraw/zinc/40/03/69/884400369.db2.gz FCQUPCDHRQZFPI-YWZLYKJASA-N 0 0 393.911 3.955 20 10 GHCDRN CC[C@@H](Nc1cccc2c1CCN2S(C)(=O)=O)c1cccc(Cl)c1O ZINC000806158406 884414251 /nfs/dbraw/zinc/41/42/51/884414251.db2.gz LPPGQGZTISIBIE-OAHLLOKOSA-N 0 0 380.897 3.931 20 10 GHCDRN CC[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000806166836 884420997 /nfs/dbraw/zinc/42/09/97/884420997.db2.gz XWSSXXYUGTUMSD-WFASDCNBSA-N 0 0 395.352 3.554 20 10 GHCDRN C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@@H]1OCCc2sccc21 ZINC000897831653 884481025 /nfs/dbraw/zinc/48/10/25/884481025.db2.gz REXVUBHQHYPARJ-XYZCENFISA-N 0 0 375.471 3.806 20 10 GHCDRN CC[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(Cl)s1 ZINC000806227799 884487530 /nfs/dbraw/zinc/48/75/30/884487530.db2.gz QDXYRNQQBHVPQV-OAHLLOKOSA-N 0 0 393.940 3.693 20 10 GHCDRN COc1cc(F)c(NC(=O)NCc2cc(Br)ccc2O)cc1OC ZINC000806261923 884514756 /nfs/dbraw/zinc/51/47/56/884514756.db2.gz QJZLGRUZAOOELV-UHFFFAOYSA-N 0 0 399.216 3.633 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@@H](C)NC(=O)C(C)(C)C)c(C)n1-c1ccccc1C ZINC000918888964 884520021 /nfs/dbraw/zinc/52/00/21/884520021.db2.gz CNTFZDYOYBRUBX-MRXNPFEDSA-N 0 0 398.503 3.679 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)CCCn1ccnc1C ZINC000860306800 884547106 /nfs/dbraw/zinc/54/71/06/884547106.db2.gz KUCYLMTXVBYOHQ-UHFFFAOYSA-N 0 0 378.476 3.574 20 10 GHCDRN COc1ccc(C)cc1CCNC(=O)NCc1cc(Br)ccc1O ZINC000806332271 884594278 /nfs/dbraw/zinc/59/42/78/884594278.db2.gz AEZCQNLMOYWQSS-UHFFFAOYSA-N 0 0 393.281 3.514 20 10 GHCDRN COc1cc(F)c(NC(=O)NCc2cc(Br)ccc2O)cc1F ZINC000806346273 884604028 /nfs/dbraw/zinc/60/40/28/884604028.db2.gz 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KLCZRUZCYNJZDF-GFCCVEGCSA-N 0 0 398.301 3.903 20 10 GHCDRN CN(CCCNC(=O)Nc1ccc(N=Nc2ccccc2)cc1)S(C)(=O)=O ZINC000915304437 886285038 /nfs/dbraw/zinc/28/50/38/886285038.db2.gz TXMQPQKHDKQOAW-UHFFFAOYSA-N 0 0 389.481 3.505 20 10 GHCDRN COc1ccc2oc(C(=O)NCc3ccc(N4CCOCC4)cc3)c(C)c2c1 ZINC000919766558 886326100 /nfs/dbraw/zinc/32/61/00/886326100.db2.gz DQUXSQFSAMXUPO-UHFFFAOYSA-N 0 0 380.444 3.516 20 10 GHCDRN CCCN(Cc1ccc(C)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000919790167 886372156 /nfs/dbraw/zinc/37/21/56/886372156.db2.gz NXKWDCNSEIBBRH-UHFFFAOYSA-N 0 0 381.520 3.953 20 10 GHCDRN C[C@H]([NH2+]CCC1CC(O)C1)c1cc(Br)cc(Br)c1[O-] ZINC000762643209 886584855 /nfs/dbraw/zinc/58/48/55/886584855.db2.gz BNWZUNLIYMDHKJ-SILCLGDVSA-N 0 0 393.119 3.729 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000762642869 886584967 /nfs/dbraw/zinc/58/49/67/886584967.db2.gz NVRUMOVEORIGQR-DVOMOZLQSA-N 0 0 379.457 3.597 20 10 GHCDRN Cc1noc(C)c1CSc1ncccc1C(=O)NCc1cc(C)ccc1O ZINC000862759239 886587000 /nfs/dbraw/zinc/58/70/00/886587000.db2.gz BPVOJYSWEQYPNI-UHFFFAOYSA-N 0 0 383.473 3.923 20 10 GHCDRN CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3cc(Br)c(F)cc3[O-])[C@H]2C1 ZINC000808723458 886705758 /nfs/dbraw/zinc/70/57/58/886705758.db2.gz OCRJQIMBTBEZTK-WKTARRMCSA-N 0 0 399.304 3.591 20 10 GHCDRN CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3cc[nH]c(=O)c3)c2C)c1 ZINC000762849527 886857059 /nfs/dbraw/zinc/85/70/59/886857059.db2.gz QEYXHLBMJJIBJG-UHFFFAOYSA-N 0 0 396.468 3.956 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N(CCCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000119287569 886890217 /nfs/dbraw/zinc/89/02/17/886890217.db2.gz KIOURAAORFRFIW-JOCHJYFZSA-N 0 0 381.520 3.724 20 10 GHCDRN COc1nnccc1NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000808903887 886909330 /nfs/dbraw/zinc/90/93/30/886909330.db2.gz LSPKDOATIHNKHL-CYBMUJFWSA-N 0 0 389.887 3.697 20 10 GHCDRN COc1ccc(N(CCc2c(C)nc3sccn3c2=O)C(C)C)cc1F ZINC000795950693 913097063 /nfs/dbraw/zinc/09/70/63/913097063.db2.gz YPXMBJJOKMVFGO-UHFFFAOYSA-N 0 0 375.469 3.670 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)Cc3csc(-c4ccoc4)n3)CC2)cc1 ZINC000119361829 886979388 /nfs/dbraw/zinc/97/93/88/886979388.db2.gz MKANYVKNSXWWJB-UHFFFAOYSA-N 0 0 397.500 3.739 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2c[nH]c(C)cc2=O)c(C)n1-c1ccc(C)c(F)c1 ZINC000762905489 887066406 /nfs/dbraw/zinc/06/64/06/887066406.db2.gz GSUNMBVIHJSBTA-UHFFFAOYSA-N 0 0 396.418 3.578 20 10 GHCDRN COC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)cc1C ZINC000863406873 887090614 /nfs/dbraw/zinc/09/06/14/887090614.db2.gz MJWOTKOYJHPSSE-UHFFFAOYSA-N 0 0 378.450 3.605 20 10 GHCDRN C[C@H]1CC(C)(C)CC[C@H]1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000809243928 887222165 /nfs/dbraw/zinc/22/21/65/887222165.db2.gz OOHCGSAMUHULAD-QFBILLFUSA-N 0 0 398.503 3.845 20 10 GHCDRN O=C(NCCNc1ccccn1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000915733486 887372720 /nfs/dbraw/zinc/37/27/20/887372720.db2.gz QNHOFKQIVLJJGZ-UHFFFAOYSA-N 0 0 388.431 3.664 20 10 GHCDRN C[C@@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)N1CCc2ccccc21 ZINC000915757219 887407895 /nfs/dbraw/zinc/40/78/95/887407895.db2.gz VXBSNFQHZOEOET-SFHVURJKSA-N 0 0 378.520 3.537 20 10 GHCDRN COc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c(O)c1 ZINC000795965167 913147611 /nfs/dbraw/zinc/14/76/11/913147611.db2.gz YOZDKZLCTUFKAT-UHFFFAOYSA-N 0 0 395.786 3.552 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cncc(C)c1 ZINC000119737908 887484092 /nfs/dbraw/zinc/48/40/92/887484092.db2.gz JFSIKLIOIVDDAY-UHFFFAOYSA-N 0 0 378.270 3.590 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(C)(C)c1nccs1 ZINC000901057273 887498724 /nfs/dbraw/zinc/49/87/24/887498724.db2.gz YMZRKIJWSLMFBK-UHFFFAOYSA-N 0 0 383.311 3.938 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N3CCc4c(F)cccc4C3)CC2)cc1 ZINC000119764727 887511618 /nfs/dbraw/zinc/51/16/18/887511618.db2.gz MWQATFYQKNVXQU-UHFFFAOYSA-N 0 0 383.467 3.571 20 10 GHCDRN Cc1cc(C(=O)O[C@@H]2CCO[C@@H]([C@@H]3CCOC3)C2)c(C)n1-c1ccc(F)cc1 ZINC000763079590 887630910 /nfs/dbraw/zinc/63/09/10/887630910.db2.gz CCRPYPURWCHVIQ-OZOXKJRCSA-N 0 0 387.451 3.974 20 10 GHCDRN COc1ccc(N2CCN(C(=O)CCCOc3ccc(C)cc3)CC2)c(OC)c1 ZINC001131803948 887648433 /nfs/dbraw/zinc/64/84/33/887648433.db2.gz FQBJSRUZTIWHNF-UHFFFAOYSA-N 0 0 398.503 3.520 20 10 GHCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@H]3c3ccccc3)CC2)c(OC)c1 ZINC001131804835 887649918 /nfs/dbraw/zinc/64/99/18/887649918.db2.gz QYOJEEDWKNGCSV-LEWJYISDSA-N 0 0 394.515 3.936 20 10 GHCDRN O=C1OCc2ccc(S(=O)(=O)Nc3cccc(N4CCCCCC4)c3)cc21 ZINC000119943902 887656484 /nfs/dbraw/zinc/65/64/84/887656484.db2.gz WXNARYVNXKUBMV-UHFFFAOYSA-N 0 0 386.473 3.538 20 10 GHCDRN CS(=O)(=O)[C@H]1CCCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000809661451 887685098 /nfs/dbraw/zinc/68/50/98/887685098.db2.gz FCORKYLZIONHDS-QFIPXVFZSA-N 0 0 398.572 3.648 20 10 GHCDRN O=C(c1ccnc(C(F)(F)F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000809672333 887695106 /nfs/dbraw/zinc/69/51/06/887695106.db2.gz QHNCNIPWRIMRBR-OAHLLOKOSA-N 0 0 380.366 3.627 20 10 GHCDRN CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000809725820 887709318 /nfs/dbraw/zinc/70/93/18/887709318.db2.gz BQIRFZWAVCIDKM-CQSZACIVSA-N 0 0 385.302 3.645 20 10 GHCDRN COc1cc(O)c(CNc2ccc3nccnc3c2Br)cc1OC ZINC000809704858 887723107 /nfs/dbraw/zinc/72/31/07/887723107.db2.gz KKOFAXUQWQAGAG-UHFFFAOYSA-N 0 0 390.237 3.727 20 10 GHCDRN O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000809708786 887729175 /nfs/dbraw/zinc/72/91/75/887729175.db2.gz HEOKWXNLOOVPEW-UHFFFAOYSA-N 0 0 386.254 3.561 20 10 GHCDRN O=C1/C(=C\c2cscc2Br)SC(=S)N1Cc1ccon1 ZINC000794679000 887751990 /nfs/dbraw/zinc/75/19/90/887751990.db2.gz DDEGNKZSBOGKRN-XCVCLJGOSA-N 0 0 387.305 3.900 20 10 GHCDRN CCCCCn1nc(C(=O)NCc2ccc(N(C)C)cc2)c2ccccc2c1=O ZINC000015134861 887769642 /nfs/dbraw/zinc/76/96/42/887769642.db2.gz GPOQFBGCEUQXIR-UHFFFAOYSA-N 0 0 392.503 3.583 20 10 GHCDRN Cc1cc(CC(=O)N[C@@H]2CC[C@@H]([S@](C)=O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC001184405112 913191761 /nfs/dbraw/zinc/19/17/61/913191761.db2.gz NWTLETRGDIVDHA-AZZGJVAJSA-N 0 0 392.952 3.706 20 10 GHCDRN Cn1cc(/C=C\C(=O)N2CCCc3cc(Br)cc(Cl)c32)cn1 ZINC000729659874 887933954 /nfs/dbraw/zinc/93/39/54/887933954.db2.gz BLXDNGFXMCDTME-PLNGDYQASA-N 0 0 380.673 3.829 20 10 GHCDRN COc1cccc(Cc2cnc(NC(=O)NCc3ccc(OC)cc3O)s2)c1 ZINC000794760308 888022302 /nfs/dbraw/zinc/02/23/02/888022302.db2.gz NHKXURPOUICSPF-UHFFFAOYSA-N 0 0 399.472 3.778 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1nc2ccccc2cc1Cl ZINC000809974471 888032930 /nfs/dbraw/zinc/03/29/30/888032930.db2.gz ZMEJBBGBZRVPPP-UHFFFAOYSA-N 0 0 395.890 3.997 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(=O)c2ccccc2n1C ZINC000864949723 888096552 /nfs/dbraw/zinc/09/65/52/888096552.db2.gz MYANINPPBFOLSG-UHFFFAOYSA-N 0 0 377.488 3.655 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1nnc(-c2ccccc2)o1 ZINC000864950753 888097487 /nfs/dbraw/zinc/09/74/87/888097487.db2.gz ZBGRGWBNICAOAJ-UHFFFAOYSA-N 0 0 378.476 3.782 20 10 GHCDRN Cc1cc(CNC(=O)c2cccc(Cn3ccnn3)c2)c(C)n1-c1cccc(C)c1 ZINC001132043308 888103927 /nfs/dbraw/zinc/10/39/27/888103927.db2.gz DNBBSTGKELYCBV-UHFFFAOYSA-N 0 0 399.498 3.972 20 10 GHCDRN CC[C@@H](Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)c1ccc(C)cc1O ZINC000794814258 888183924 /nfs/dbraw/zinc/18/39/24/888183924.db2.gz DCHZIMSTELTEMO-QGZVFWFLSA-N 0 0 385.489 3.853 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1 ZINC000747597878 888257324 /nfs/dbraw/zinc/25/73/24/888257324.db2.gz YTMSKIIRVCSXJT-UHFFFAOYSA-N 0 0 385.895 3.805 20 10 GHCDRN COc1ccc(C(F)(F)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000120450742 888269788 /nfs/dbraw/zinc/26/97/88/888269788.db2.gz YEMIYFKEBXVJMG-UHFFFAOYSA-N 0 0 392.471 3.657 20 10 GHCDRN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)NCCCSc1nccs1 ZINC000120523800 888323569 /nfs/dbraw/zinc/32/35/69/888323569.db2.gz GGOBNTUVDPHVGZ-UHFFFAOYSA-N 0 0 387.534 3.857 20 10 GHCDRN CC[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-])OC ZINC000810260376 888326026 /nfs/dbraw/zinc/32/60/26/888326026.db2.gz KAEKDKOBKWRMOQ-WCBMZHEXSA-N 0 0 381.108 3.993 20 10 GHCDRN COc1ccc(C[C@](C)(O)C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1OC ZINC000810254337 888358541 /nfs/dbraw/zinc/35/85/41/888358541.db2.gz BRDSCJAVZZDCPE-DHZVRSILSA-N 0 0 389.467 3.680 20 10 GHCDRN CC[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287290182 913239778 /nfs/dbraw/zinc/23/97/78/913239778.db2.gz BXFPAVKNVJMTMM-IUODEOHRSA-N 0 0 376.280 3.662 20 10 GHCDRN CC[C@@H]1[C@H](C(=O)N[C@@H](C)c2cc(OC)ccc2O)CCN1C(=O)OC(C)(C)C ZINC000810348230 888447194 /nfs/dbraw/zinc/44/71/94/888447194.db2.gz RSPZBUHQYLLHOQ-YSVLISHTSA-N 0 0 392.496 3.614 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)n(C2CCCCC2)n1 ZINC000810396736 888462832 /nfs/dbraw/zinc/46/28/32/888462832.db2.gz ZVGPYWUHWOBSNV-UHFFFAOYSA-N 0 0 398.507 3.780 20 10 GHCDRN CN(C)C(=O)NCCc1ccc(NCc2cccc(Br)c2O)cc1 ZINC000865707265 888529917 /nfs/dbraw/zinc/52/99/17/888529917.db2.gz GTULZPAGWMGEAR-UHFFFAOYSA-N 0 0 392.297 3.581 20 10 GHCDRN C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000915889414 888548308 /nfs/dbraw/zinc/54/83/08/888548308.db2.gz DXJHULNXBLWWLY-KSSFIOAISA-N 0 0 399.457 3.920 20 10 GHCDRN Cc1ccc(N2CCC(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)nc1 ZINC000194148930 888561598 /nfs/dbraw/zinc/56/15/98/888561598.db2.gz ZXXVFRGVFXIEIX-UHFFFAOYSA-N 0 0 378.520 3.523 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccc4c(c3)CCCCC4=O)CC2)cc1F ZINC000810489085 888562338 /nfs/dbraw/zinc/56/23/38/888562338.db2.gz HKPIPUNQIOCEFF-UHFFFAOYSA-N 0 0 396.462 3.706 20 10 GHCDRN O=C1NCCN1Cc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000865816801 888594173 /nfs/dbraw/zinc/59/41/73/888594173.db2.gz RUMQFACEOZPCMJ-UHFFFAOYSA-N 0 0 380.275 3.514 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000865904017 888638466 /nfs/dbraw/zinc/63/84/66/888638466.db2.gz IRKZNAUNCHMMRU-UHFFFAOYSA-N 0 0 385.455 3.871 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCC2(c3ccc(F)cc3F)CC2)c1 ZINC000120821295 888658200 /nfs/dbraw/zinc/65/82/00/888658200.db2.gz ODFIUPADAXCPEL-GFCCVEGCSA-N 0 0 376.403 3.771 20 10 GHCDRN Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(N)cc4)CC3)c2c1C ZINC000237753448 888696410 /nfs/dbraw/zinc/69/64/10/888696410.db2.gz PBISWVFTBWGYPL-UHFFFAOYSA-N 0 0 381.505 3.745 20 10 GHCDRN Nc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000238001074 888703422 /nfs/dbraw/zinc/70/34/22/888703422.db2.gz GKRYIYPKAQKKEV-MRXNPFEDSA-N 0 0 378.259 3.819 20 10 GHCDRN CC1CCN(c2cccc(NC(=O)c3ccc(-n4cnnn4)cc3Cl)c2)CC1 ZINC000153846437 888716963 /nfs/dbraw/zinc/71/69/63/888716963.db2.gz MHJWCDUHGMFBSI-UHFFFAOYSA-N 0 0 396.882 3.804 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCOCc2ccc(Cl)cc2)c1 ZINC000120927840 888761119 /nfs/dbraw/zinc/76/11/19/888761119.db2.gz VDQQNBQYIQEJAW-ZDUSSCGKSA-N 0 0 378.856 3.631 20 10 GHCDRN COCCN1C(=O)c2ccccc2N[C@H]1c1ccc(N(C)C)cc1C(F)(F)F ZINC000794897778 888765287 /nfs/dbraw/zinc/76/52/87/888765287.db2.gz AZJXAACGVLYVKC-GOSISDBHSA-N 0 0 393.409 3.984 20 10 GHCDRN Cc1cc(CCNC(=O)c2cccc(C[S@@](C)=O)c2)c(C)n1-c1ccccc1 ZINC000810702375 888810092 /nfs/dbraw/zinc/81/00/92/888810092.db2.gz VZGUPJKOEOQOFM-MUUNZHRXSA-N 0 0 394.540 3.945 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H](c1cccs1)C1CC1 ZINC000916232122 888841550 /nfs/dbraw/zinc/84/15/50/888841550.db2.gz AXNBHCHHZXKOBC-FQEVSTJZSA-N 0 0 385.533 3.877 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)NCc2ccnc(N3CCCC3)c2)cc1 ZINC000916254865 888857878 /nfs/dbraw/zinc/85/78/78/888857878.db2.gz UDPOTPYDKXQRPI-UHFFFAOYSA-N 0 0 395.551 3.870 20 10 GHCDRN C[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1cc(Br)cc(F)c1[O-] ZINC000866531009 888921229 /nfs/dbraw/zinc/92/12/29/888921229.db2.gz DHTQGKJHWHEEOH-DGCLKSJQSA-N 0 0 388.277 3.530 20 10 GHCDRN COCCc1ccnc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000287377666 913299314 /nfs/dbraw/zinc/29/93/14/913299314.db2.gz PEKLFYOSEJMDLK-UHFFFAOYSA-N 0 0 382.508 3.925 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)cc1 ZINC000916503214 889075903 /nfs/dbraw/zinc/07/59/03/889075903.db2.gz ZCDWTWYRIOSWKW-UHFFFAOYSA-N 0 0 391.519 3.930 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)CSc2ccc3c(c2)OCCO3)cc1 ZINC000916503345 889077816 /nfs/dbraw/zinc/07/78/16/889077816.db2.gz PJUCSNNIYJLKME-UHFFFAOYSA-N 0 0 386.517 3.713 20 10 GHCDRN COc1ccc(N2CCCN(C(=S)NCCCCC(F)(F)F)CC2)cc1 ZINC000794974392 889092973 /nfs/dbraw/zinc/09/29/73/889092973.db2.gz XJQNEIZCPUUMLW-UHFFFAOYSA-N 0 0 389.487 3.814 20 10 GHCDRN C[C@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)c4ccc(O)c(O)c4)cc3c2C1 ZINC000916590707 889152403 /nfs/dbraw/zinc/15/24/03/889152403.db2.gz HGJQVHIJRBPXKT-LBPRGKRZSA-N 0 0 379.412 3.744 20 10 GHCDRN O=C(COc1ccc2oc3ccccc3c2c1)OCC(=O)c1ccc(O)c(O)c1 ZINC000916608816 889175627 /nfs/dbraw/zinc/17/56/27/889175627.db2.gz OHGYBJQNCYBZAH-UHFFFAOYSA-N 0 0 392.363 3.802 20 10 GHCDRN C[C@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 ZINC000916625707 889181899 /nfs/dbraw/zinc/18/18/99/889181899.db2.gz MDMMYIBJBJMIGD-HOCLYGCPSA-N 0 0 399.457 3.920 20 10 GHCDRN CCNC(=O)c1cccc(CNC(=O)N(C)Cc2ccc(N(CC)CC)cc2)c1 ZINC000916644935 889276693 /nfs/dbraw/zinc/27/66/93/889276693.db2.gz DLGXWPIKYZBCPB-UHFFFAOYSA-N 0 0 396.535 3.624 20 10 GHCDRN C[C@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1c(F)cccc1F ZINC000154127830 889299003 /nfs/dbraw/zinc/29/90/03/889299003.db2.gz RBOIHJLNAHRMGT-HOCLYGCPSA-N 0 0 375.415 3.982 20 10 GHCDRN C[C@@H](NC(=O)N[C@@H](C)c1cc2cnccc2o1)c1ccc(N2CCOCC2)cc1 ZINC000868149055 889320592 /nfs/dbraw/zinc/32/05/92/889320592.db2.gz SPNVQUODCNYJAQ-CVEARBPZSA-N 0 0 394.475 3.786 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)NCc3nn(C)cc3C(F)F)cc2)CC1 ZINC000868229185 889363000 /nfs/dbraw/zinc/36/30/00/889363000.db2.gz QLNQFXAGIQFSHB-UHFFFAOYSA-N 0 0 391.466 3.593 20 10 GHCDRN C[C@@H](NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1ccccc1O ZINC000868547731 889495271 /nfs/dbraw/zinc/49/52/71/889495271.db2.gz IEZUVVDWIHIZOP-RRFJBIMHSA-N 0 0 377.485 3.540 20 10 GHCDRN COc1cc(Br)cc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1O ZINC000811518260 889672693 /nfs/dbraw/zinc/67/26/93/889672693.db2.gz IAAVAEDDVWKEKU-WMLDXEAASA-N 0 0 382.298 3.697 20 10 GHCDRN Cc1cc(=O)[nH]c2cc(C(=O)NCc3cc(Br)ccc3O)ccc12 ZINC000811522941 889675741 /nfs/dbraw/zinc/67/57/41/889675741.db2.gz IUGVDIRYRDWJBY-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/14/53/04/890145304.db2.gz HWKDKJHJCSOWDM-UHFFFAOYSA-N 0 0 393.487 3.675 20 10 GHCDRN Cc1cccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1Cl ZINC000122917109 890193861 /nfs/dbraw/zinc/19/38/61/890193861.db2.gz LGKNWWNOCLEWHN-UHFFFAOYSA-N 0 0 376.859 3.679 20 10 GHCDRN CON(C[C@@H]1CCC[C@H](C)C1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000812014718 890202795 /nfs/dbraw/zinc/20/27/95/890202795.db2.gz KEFKNMWRAUXNCR-GBESFXJTSA-N 0 0 389.540 3.984 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccc(Cn3cncn3)cc2)cc1 ZINC000811995861 890214892 /nfs/dbraw/zinc/21/48/92/890214892.db2.gz YNFNINGERZLQFR-UHFFFAOYSA-N 0 0 385.471 3.664 20 10 GHCDRN CCn1c(-c2ccc(C)o2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 ZINC000812030633 890242035 /nfs/dbraw/zinc/24/20/35/890242035.db2.gz OOKUCICOYVYDOE-UHFFFAOYSA-N 0 0 381.480 3.592 20 10 GHCDRN C[C@@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)[C@H](O)c1ccccc1 ZINC000812035441 890246331 /nfs/dbraw/zinc/24/63/31/890246331.db2.gz IDCAROWVHJTWNQ-GCJKJVERSA-N 0 0 381.520 3.844 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NC[C@@]2(CO)C[C@@H]2c2ccccc2)cc1F ZINC000812037268 890248575 /nfs/dbraw/zinc/24/85/75/890248575.db2.gz TXLOIYAVZZTFSN-AUSIDOKSSA-N 0 0 399.510 3.637 20 10 GHCDRN CCC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000795110232 890333827 /nfs/dbraw/zinc/33/38/27/890333827.db2.gz SSVRHQSHTHGDPR-UHFFFAOYSA-N 0 0 394.924 3.786 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC000287619930 913447316 /nfs/dbraw/zinc/44/73/16/913447316.db2.gz IKMDYUOSXNPYIK-UHFFFAOYSA-N 0 0 389.839 3.821 20 10 GHCDRN CCOC(=O)/C(=C\c1cnc(C2=S=CC=C2)s1)c1ccncc1Cl ZINC000812247471 890478088 /nfs/dbraw/zinc/47/80/88/890478088.db2.gz NOMUKCPFVIDGKC-JYRVWZFOSA-N 0 0 376.890 3.921 20 10 GHCDRN Cc1cc(C(=O)N2CCn3cncc3C2)c(C)n1-c1cccc(Br)c1 ZINC000812296385 890545729 /nfs/dbraw/zinc/54/57/29/890545729.db2.gz QDGBJHIGKHCGRJ-UHFFFAOYSA-N 0 0 399.292 3.709 20 10 GHCDRN CNC(=O)Nc1cc(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)ccc1F ZINC000287671501 913477821 /nfs/dbraw/zinc/47/78/21/913477821.db2.gz 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ZINC000812773035 890950674 /nfs/dbraw/zinc/95/06/74/890950674.db2.gz VIPMKHIRGDCPEA-GFCCVEGCSA-N 0 0 379.819 3.709 20 10 GHCDRN COc1c([O-])c(C[N@H+](C)CCc2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000812804210 890999516 /nfs/dbraw/zinc/99/95/16/890999516.db2.gz JYGWSROINJFWLX-UHFFFAOYSA-N 0 0 395.253 3.746 20 10 GHCDRN Cc1cc(C)c(NC(=O)CNC(=O)CNc2ccccc2NC(C)C)c(C)c1 ZINC000871847557 891044035 /nfs/dbraw/zinc/04/40/35/891044035.db2.gz UFZRHFUBZATDEG-UHFFFAOYSA-N 0 0 382.508 3.599 20 10 GHCDRN Cc1cc(C(=O)CN2CCC(F)(F)[C@@H](CO)C2)c(C)n1-c1ccc(C)cc1 ZINC000812860321 891074593 /nfs/dbraw/zinc/07/45/93/891074593.db2.gz YGZXLRPFGDCUPN-QGZVFWFLSA-N 0 0 376.447 3.535 20 10 GHCDRN CN1CCCc2cc(CNC(=O)NC[C@H]3CCN(c4ccccc4F)C3)ccc21 ZINC000812923658 891128390 /nfs/dbraw/zinc/12/83/90/891128390.db2.gz DGWHQQRYKIEAIC-GOSISDBHSA-N 0 0 396.510 3.534 20 10 GHCDRN Cc1nn(C)c2cc(NC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)ccc12 ZINC000812990382 891189947 /nfs/dbraw/zinc/18/99/47/891189947.db2.gz JKABWAMHNGNMGA-OAHLLOKOSA-N 0 0 393.491 3.601 20 10 GHCDRN Cc1cnc(Br)c(NC(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000813003631 891205834 /nfs/dbraw/zinc/20/58/34/891205834.db2.gz KVXFADADVKRWOF-UHFFFAOYSA-N 0 0 377.286 3.849 20 10 GHCDRN CCCC(=O)NC1CCN(CC(=O)c2cc(C)n(-c3ccccc3C)c2C)CC1 ZINC000917110516 891274439 /nfs/dbraw/zinc/27/44/39/891274439.db2.gz WDGVBWKJTQMCPJ-UHFFFAOYSA-N 0 0 395.547 3.966 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000813071454 891276177 /nfs/dbraw/zinc/27/61/77/891276177.db2.gz BLVLAKNBFMWSII-DEOSSOPVSA-N 0 0 395.547 3.588 20 10 GHCDRN CC[C@H](C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CCC(C)CC1 ZINC001133626352 891315063 /nfs/dbraw/zinc/31/50/63/891315063.db2.gz IEZHWGHSFDUHIJ-FQVRHNBASA-N 0 0 399.579 3.857 20 10 GHCDRN CC[C@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1cccc(Cl)c1[O-] ZINC000287854655 913565677 /nfs/dbraw/zinc/56/56/77/913565677.db2.gz XAWLMPXSUSWZRK-KSSFIOAISA-N 0 0 375.900 3.907 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2cc(C)ccc2OC(F)F)c1 ZINC000124634778 891759808 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GHCDRN C[C@H](NC(=O)C(=O)Nc1ccccc1CCC(F)(F)F)c1ccccc1O ZINC000874191947 892028660 /nfs/dbraw/zinc/02/86/60/892028660.db2.gz BZINYQBWBACCCW-LBPRGKRZSA-N 0 0 380.366 3.703 20 10 GHCDRN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)c3cc(C)ccc3-n3c(C)ccc3C)[C@H]2C1 ZINC000813859628 892029388 /nfs/dbraw/zinc/02/93/88/892029388.db2.gz KGOJLBCGBQPILZ-BVSLBCMMSA-N 0 0 393.531 3.779 20 10 GHCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)C[C@H]2CCCC(C)(C)O2)cc1 ZINC001185094771 913633415 /nfs/dbraw/zinc/63/34/15/913633415.db2.gz UCYAHSBRGGRHPM-LJQANCHMSA-N 0 0 382.570 3.642 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=S)N[C@@H]3CCCC[C@@H]3C)cc2F)C[C@H](C)O1 ZINC000917580579 892244514 /nfs/dbraw/zinc/24/45/14/892244514.db2.gz BXHOOIUWFQKDIH-YIOZNXECSA-N 0 0 393.572 3.982 20 10 GHCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(F)c(O)c1 ZINC001137081298 892266866 /nfs/dbraw/zinc/26/68/66/892266866.db2.gz CVMNCUFZPCBLPH-ZDUSSCGKSA-N 0 0 380.366 3.532 20 10 GHCDRN Cc1nc2ccnn2c(C)c1CCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000917647234 892339951 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Cc1cc(-c2noc([C@H](C)NC(=O)N3Cc4cccc(O)c4C3)n2)ccc1F ZINC000875381277 892582098 /nfs/dbraw/zinc/58/20/98/892582098.db2.gz YWYNGZONJPIAAZ-LBPRGKRZSA-N 0 0 382.395 3.676 20 10 GHCDRN O=[N+]([O-])c1cccc(Cl)c1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000814361611 892599316 /nfs/dbraw/zinc/59/93/16/892599316.db2.gz XTPQJJDZYLHSTM-UHFFFAOYSA-N 0 0 379.819 3.961 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000814426279 892706744 /nfs/dbraw/zinc/70/67/44/892706744.db2.gz QNDXJKABIFEETC-XUTJKUGGSA-N 0 0 397.494 3.750 20 10 GHCDRN CCCOCc1ccccc1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000125578542 892799406 /nfs/dbraw/zinc/79/94/06/892799406.db2.gz LXUAPJMWACHPRO-UHFFFAOYSA-N 0 0 379.504 3.989 20 10 GHCDRN O=C(NCCCSc1nccs1)N1CCO[C@@H](c2ccccc2F)C1 ZINC000154580805 892837448 /nfs/dbraw/zinc/83/74/48/892837448.db2.gz HITSLIBRYLOVKH-OAHLLOKOSA-N 0 0 381.498 3.548 20 10 GHCDRN Cc1cc(C(=O)N2CCN(C(=O)C(C)C)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000917931365 892844212 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Cc1cncc(CCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1 ZINC000814679504 893062238 /nfs/dbraw/zinc/06/22/38/893062238.db2.gz HCFZCURRFRCETM-QFIPXVFZSA-N 0 0 381.520 3.596 20 10 GHCDRN O=C(NCc1cc(Br)cs1)NCc1ccc(N2CC=CC2)cc1 ZINC000125972241 893205260 /nfs/dbraw/zinc/20/52/60/893205260.db2.gz RAVGIVSZNLIQIM-UHFFFAOYSA-N 0 0 392.322 3.886 20 10 GHCDRN Cc1cnccc1SCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000814806035 893216157 /nfs/dbraw/zinc/21/61/57/893216157.db2.gz UHROMFOTARMYEM-UHFFFAOYSA-N 0 0 388.448 3.896 20 10 GHCDRN OC1CCN(c2ccc(CN3CCO[C@@H](c4ccc(Cl)cc4)C3)cc2)CC1 ZINC000876585840 893239401 /nfs/dbraw/zinc/23/94/01/893239401.db2.gz XQTGYADLGJANRD-JOCHJYFZSA-N 0 0 386.923 3.875 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000126131920 893309317 /nfs/dbraw/zinc/30/93/17/893309317.db2.gz FNCNKVMSGSDMSO-LJQANCHMSA-N 0 0 394.494 3.528 20 10 GHCDRN COc1c([O-])c(C[NH+]2CCC(C(=O)c3ccc(C)cc3)CC2)ccc1[N+](=O)[O-] ZINC000774847697 913758132 /nfs/dbraw/zinc/75/81/32/913758132.db2.gz XAHVCLIPCVBSBZ-UHFFFAOYSA-N 0 0 384.432 3.712 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCCc2cccc(OC)c2OC)cc1 ZINC000918218342 893343174 /nfs/dbraw/zinc/34/31/74/893343174.db2.gz WIQJJTYIDVPOET-UHFFFAOYSA-N 0 0 385.508 3.592 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000918202346 893351359 /nfs/dbraw/zinc/35/13/59/893351359.db2.gz MADUMODHJXSFTC-IPMKNSEASA-N 0 0 389.515 3.820 20 10 GHCDRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000918203621 893353547 /nfs/dbraw/zinc/35/35/47/893353547.db2.gz DSEALECWGWKNRL-IMFGXOCKSA-N 0 0 391.531 3.922 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCc3cccc(F)c3)cc2F)C[C@H](C)O1 ZINC000918204257 893353753 /nfs/dbraw/zinc/35/37/53/893353753.db2.gz XLBFZPWWZIWNNV-GASCZTMLSA-N 0 0 389.446 3.578 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)NCc2cccc(N3CCCC3=O)c2)cc1 ZINC000918212482 893365803 /nfs/dbraw/zinc/36/58/03/893365803.db2.gz NHSCJTNGOIZZIU-UHFFFAOYSA-N 0 0 394.519 3.659 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C2CCC(OC[C@@H]3CCCO3)CC2)cc1 ZINC000815052511 893369891 /nfs/dbraw/zinc/36/98/91/893369891.db2.gz REPFVBPYDAQNDZ-VTLFHKLASA-N 0 0 388.552 3.903 20 10 GHCDRN CCC(=O)N1CCc2ccc(NC(=O)N[C@@H](C)c3cc(OC)ccc3O)cc21 ZINC000934192289 893461212 /nfs/dbraw/zinc/46/12/12/893461212.db2.gz LAJXTLLGZFNVEQ-ZDUSSCGKSA-N 0 0 383.448 3.583 20 10 GHCDRN CCOc1ccccc1NC(=O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000918309382 893468029 /nfs/dbraw/zinc/46/80/29/893468029.db2.gz GLZSPKPRLPLBOG-UHFFFAOYSA-N 0 0 383.492 3.529 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)CN2C[C@H]3CCCCN3c3ccccc32)cc1 ZINC000815227735 893583254 /nfs/dbraw/zinc/58/32/54/893583254.db2.gz IRMPVKWHWBELBA-OAQYLSRUSA-N 0 0 392.547 3.590 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3ccc4cc(C)ccc4n3)CC2)cc1 ZINC000815259550 893643781 /nfs/dbraw/zinc/64/37/81/893643781.db2.gz VBZATENPLOLUKE-UHFFFAOYSA-N 0 0 375.472 3.951 20 10 GHCDRN COc1ccc(CS(C)(=O)=O)cc1NCc1ccccc1CC(F)(F)F ZINC000877515864 893660844 /nfs/dbraw/zinc/66/08/44/893660844.db2.gz ROAHMQGGOMMCOS-UHFFFAOYSA-N 0 0 387.423 3.957 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(OCC(C)C)c2)cc1 ZINC000918434650 893670858 /nfs/dbraw/zinc/67/08/58/893670858.db2.gz SAUUZAXZEDWJEN-UHFFFAOYSA-N 0 0 397.519 3.823 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC000918444507 893703588 /nfs/dbraw/zinc/70/35/88/893703588.db2.gz QLUUIKDOJJXWBO-UHFFFAOYSA-N 0 0 378.403 3.795 20 10 GHCDRN CC1(C)COc2ccc(NCc3ccc(N4CCC(O)CC4)cc3)cc2NC1=O ZINC000877771669 893804595 /nfs/dbraw/zinc/80/45/95/893804595.db2.gz AHCLYLSQBKSZGI-UHFFFAOYSA-N 0 0 395.503 3.617 20 10 GHCDRN COC[C@H](C)n1ccc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)n1 ZINC000187513596 893917386 /nfs/dbraw/zinc/91/73/86/893917386.db2.gz NNLFQPRCYHEWEG-HNNXBMFYSA-N 0 0 377.448 3.622 20 10 GHCDRN C[C@H]([NH2+]CCn1cc(Br)cn1)c1cccc(C(F)(F)F)c1[O-] ZINC000815625875 894056920 /nfs/dbraw/zinc/05/69/20/894056920.db2.gz OQPKVHNMJCBICM-VIFPVBQESA-N 0 0 378.192 3.721 20 10 GHCDRN C[C@@H](NCc1ncn(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1Cl ZINC000815658359 894073033 /nfs/dbraw/zinc/07/30/33/894073033.db2.gz ZUMYRGYWXZYCIA-MRXNPFEDSA-N 0 0 397.910 3.608 20 10 GHCDRN C[C@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)c1cc(F)cc(F)c1[O-] ZINC000815660083 894074213 /nfs/dbraw/zinc/07/42/13/894074213.db2.gz QVJYLDOMPYUGAC-NSHDSACASA-N 0 0 389.851 3.838 20 10 GHCDRN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])[C@@H]1n1cccn1 ZINC000815661162 894075953 /nfs/dbraw/zinc/07/59/53/894075953.db2.gz VCWNREVOYCAEOH-LTTZEQNMSA-N 0 0 398.276 3.560 20 10 GHCDRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC000827978457 894090930 /nfs/dbraw/zinc/09/09/30/894090930.db2.gz UFUYEOKXXABGBF-TWOQFEAHSA-N 0 0 380.488 3.569 20 10 GHCDRN O=C(Cc1cccc(C(F)(F)F)n1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000935035625 894136943 /nfs/dbraw/zinc/13/69/43/894136943.db2.gz UUYGSXZTIATVAZ-MRXNPFEDSA-N 0 0 394.393 3.556 20 10 GHCDRN COc1c([O-])c(C[NH+]2CCC(N3c4ccccc4C[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000774864632 913847765 /nfs/dbraw/zinc/84/77/65/913847765.db2.gz SXVHRWUKCSEOKC-HNNXBMFYSA-N 0 0 397.475 3.725 20 10 GHCDRN Cc1nc(C(C)C)oc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000815835262 894245578 /nfs/dbraw/zinc/24/55/78/894245578.db2.gz OHIAQNUOQBVMDS-MRXNPFEDSA-N 0 0 391.899 3.860 20 10 GHCDRN CCOC(=O)CN(Cc1coc(-c2ccccc2OC)n1)Cc1ccccc1O ZINC000878728918 894543638 /nfs/dbraw/zinc/54/36/38/894543638.db2.gz WDINUOZOGSDAJB-UHFFFAOYSA-N 0 0 396.443 3.621 20 10 GHCDRN Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3[O-])C2)nc1 ZINC000816489390 894855808 /nfs/dbraw/zinc/85/58/08/894855808.db2.gz TUUJSTBZTLOYNI-CYBMUJFWSA-N 0 0 377.847 3.739 20 10 GHCDRN CC[C@@]1(c2ccc(NCc3cc(Cl)c(F)cc3O)cc2)CCC(=O)NC1=O ZINC000816525153 894923924 /nfs/dbraw/zinc/92/39/24/894923924.db2.gz HOJHTECGZCFXSX-FQEVSTJZSA-N 0 0 390.842 3.881 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)Cc2ccc3c(c2)oc(=O)n3C)cc1 ZINC000816610337 894973099 /nfs/dbraw/zinc/97/30/99/894973099.db2.gz HIKXFXGCAVRCNR-UHFFFAOYSA-N 0 0 391.471 3.993 20 10 GHCDRN Cc1cc(Br)c(O)c(CN2CCc3c(nnn3-c3ccccc3)C2)c1 ZINC000816619168 894978887 /nfs/dbraw/zinc/97/88/87/894978887.db2.gz VIDLASAIWIPFLN-UHFFFAOYSA-N 0 0 399.292 3.602 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC2CCN(CC(F)F)CC2)cc1 ZINC000816649629 894993406 /nfs/dbraw/zinc/99/34/06/894993406.db2.gz FOVJGFWBRMPPRJ-UHFFFAOYSA-N 0 0 375.463 3.801 20 10 GHCDRN C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000816660355 895006191 /nfs/dbraw/zinc/00/61/91/895006191.db2.gz AKMDWQQKPWFEDM-OTYXRUKQSA-N 0 0 393.119 3.558 20 10 GHCDRN C[C@@H](CNc1ccccc1)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000127727178 895045250 /nfs/dbraw/zinc/04/52/50/895045250.db2.gz ZANRUOFNHGYYOU-KRWDZBQOSA-N 0 0 384.549 3.540 20 10 GHCDRN Cc1nc(CC(C)C)c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000127780198 895080920 /nfs/dbraw/zinc/08/09/20/895080920.db2.gz FQYIPOUNMGEGHA-OAHLLOKOSA-N 0 0 387.549 3.978 20 10 GHCDRN C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000816996605 895249068 /nfs/dbraw/zinc/24/90/68/895249068.db2.gz PYQKTIGFJITFAJ-MEDUHNTESA-N 0 0 381.350 3.719 20 10 GHCDRN CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3ccncn3)c2C)c1 ZINC000778450104 895296515 /nfs/dbraw/zinc/29/65/15/895296515.db2.gz NXMCXLSIOGUOQZ-UHFFFAOYSA-N 0 0 381.457 3.646 20 10 GHCDRN CCCN1C[C@@H](c2noc(-c3ccc4c(c3)c(C)c(C)n4CCOC)n2)CC1=O ZINC000817105345 895321053 /nfs/dbraw/zinc/32/10/53/895321053.db2.gz QKJFBVISSGCIPP-KRWDZBQOSA-N 0 0 396.491 3.680 20 10 GHCDRN Cc1cc(CNC(=O)c2ccc3c(N)ncnc3c2)c(C)n1-c1cccc(C)c1 ZINC001170859991 895507694 /nfs/dbraw/zinc/50/76/94/895507694.db2.gz ZVMQEIUHQPHMQX-UHFFFAOYSA-N 0 0 385.471 3.858 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)cc1 ZINC001135914335 895592260 /nfs/dbraw/zinc/59/22/60/895592260.db2.gz BVYKIUHINGSEJJ-IEBWSBKVSA-N 0 0 392.421 3.893 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)/C=C\c2ccc(C(=O)OC(C)(C)C)o2)cc1 ZINC001135914761 895592318 /nfs/dbraw/zinc/59/23/18/895592318.db2.gz PCPAKTFCTLTRCG-OWBHPGMISA-N 0 0 384.476 3.973 20 10 GHCDRN O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NOCCC1CC1 ZINC000817446612 895644225 /nfs/dbraw/zinc/64/42/25/895644225.db2.gz RGIMCXFPHFKNKC-SDNWHVSQSA-N 0 0 396.559 3.577 20 10 GHCDRN CN(C)c1ccc(CNC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1 ZINC000023956934 895678711 /nfs/dbraw/zinc/67/87/11/895678711.db2.gz AGZRSWOZJJSHNQ-UHFFFAOYSA-N 0 0 395.890 3.546 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[C@H]1C(=O)Nc2ccc(F)cc21 ZINC001136025545 895927190 /nfs/dbraw/zinc/92/71/90/895927190.db2.gz OMADPNZJNXSGSC-LJQANCHMSA-N 0 0 381.451 3.510 20 10 GHCDRN COc1ccc(N2CCN(C(=O)N[C@H](C)c3ccc(F)cc3F)CC2)cc1F ZINC000128668026 895942803 /nfs/dbraw/zinc/94/28/03/895942803.db2.gz JKKGXRPTVNBGFJ-CYBMUJFWSA-N 0 0 393.409 3.705 20 10 GHCDRN C[C@H]1CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C[C@H](c2ccccc2)O1 ZINC000817926462 895963772 /nfs/dbraw/zinc/96/37/72/895963772.db2.gz JIKFLEUJQCKDCL-MGPUTAFESA-N 0 0 393.512 3.918 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2nnc([C@@H]3CCCO3)s2)cc1 ZINC000880885853 895964880 /nfs/dbraw/zinc/96/48/80/895964880.db2.gz JKDUCYFZONUJAK-HNNXBMFYSA-N 0 0 375.498 3.558 20 10 GHCDRN CCC[NH2+]CCN[C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817962241 895978048 /nfs/dbraw/zinc/97/80/48/895978048.db2.gz JUVISEIGISLLIP-VIFPVBQESA-N 0 0 380.124 3.567 20 10 GHCDRN Cc1cc(C(=O)NCCCc2cnn(C)n2)c(C)n1-c1cccc(C(C)C)c1 ZINC000817995574 895980886 /nfs/dbraw/zinc/98/08/86/895980886.db2.gz QFLRKNSUPFMRCG-UHFFFAOYSA-N 0 0 379.508 3.709 20 10 GHCDRN COc1ccc(N2CCN(C(=O)Nc3cncc(C(F)F)c3)CC2)cc1F ZINC000880913762 895989530 /nfs/dbraw/zinc/98/95/30/895989530.db2.gz LTSLXQNONGURCP-UHFFFAOYSA-N 0 0 380.370 3.521 20 10 GHCDRN COC(=O)[C@H](NC[C@@H]1CCN(c2ccc(OC)cc2)C1)c1cccc(Cl)c1 ZINC000818117413 896032545 /nfs/dbraw/zinc/03/25/45/896032545.db2.gz XYEKDARAXXLCFP-MGPUTAFESA-N 0 0 388.895 3.679 20 10 GHCDRN Cc1cc(C)cc(CCNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000128754234 896059213 /nfs/dbraw/zinc/05/92/13/896059213.db2.gz KDCLVOBBQVHTFC-UHFFFAOYSA-N 0 0 395.547 3.554 20 10 GHCDRN CC(C)c1ccccc1NC(=O)[C@H](C)n1cc(COc2ccc(N)cc2)nn1 ZINC000881110266 896151790 /nfs/dbraw/zinc/15/17/90/896151790.db2.gz WJTGXIIEHWFJJW-HNNXBMFYSA-N 0 0 379.464 3.762 20 10 GHCDRN CC/C(=C/C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(OC)cc1 ZINC000128804047 896161850 /nfs/dbraw/zinc/16/18/50/896161850.db2.gz ARIAYNLZXBFFQG-MNDPQUGUSA-N 0 0 380.488 3.642 20 10 GHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2nn(C)cc2Cl)cc1 ZINC000881183973 896225805 /nfs/dbraw/zinc/22/58/05/896225805.db2.gz JLNFBQDEOFSMQX-UHFFFAOYSA-N 0 0 387.871 3.967 20 10 GHCDRN COc1ncccc1CNC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001136162840 896240785 /nfs/dbraw/zinc/24/07/85/896240785.db2.gz JGHXPZZYMZBOCV-UHFFFAOYSA-N 0 0 377.444 3.549 20 10 GHCDRN COCCOc1ccc(N2CCN(C(=O)Nc3ccc4c(c3)CCC4)CC2)cc1 ZINC001185757213 914066549 /nfs/dbraw/zinc/06/65/49/914066549.db2.gz QPIZDIKMBMGLGN-UHFFFAOYSA-N 0 0 395.503 3.555 20 10 GHCDRN CC1CCN(c2ccc(CN3C(=O)CN(Cc4ccccc4O)C3=O)cc2)CC1 ZINC000819168067 896441083 /nfs/dbraw/zinc/44/10/83/896441083.db2.gz 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ZINC000819581513 896823489 /nfs/dbraw/zinc/82/34/89/896823489.db2.gz ZWWOBIYKLNVRHT-SFHVURJKSA-N 0 0 382.504 3.669 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)CCCc3nc4ccccc4[nH]3)C2)cc1 ZINC000819582300 896827570 /nfs/dbraw/zinc/82/75/70/896827570.db2.gz GDGDKFMEMDIMEP-QGZVFWFLSA-N 0 0 392.503 3.537 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[C@@H]3c3c(F)cccc3F)C2)cc1 ZINC000819584233 896830182 /nfs/dbraw/zinc/83/01/82/896830182.db2.gz FAXXLKGJDOZZCQ-FHLIZLRMSA-N 0 0 386.442 3.720 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)Cc3c[nH]c4ccc(F)cc34)C2)cc1 ZINC000819584393 896830632 /nfs/dbraw/zinc/83/06/32/896830632.db2.gz IPOGZFWLEBEREJ-HNNXBMFYSA-N 0 0 381.451 3.501 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)/C=C\c3ccnc4ccccc34)C2)cc1 ZINC000819584101 896831888 /nfs/dbraw/zinc/83/18/88/896831888.db2.gz DEYMRMBVMWSGGE-HJLMUGLJSA-N 0 0 387.483 3.899 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@H]3SCCc4ccccc43)C2)cc1 ZINC000819584604 896835768 /nfs/dbraw/zinc/83/57/68/896835768.db2.gz 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CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1(C(F)(F)F)CCCCC1 ZINC000819974675 897065850 /nfs/dbraw/zinc/06/58/50/897065850.db2.gz QUPOVZPKSIWQLF-UHFFFAOYSA-N 0 0 384.442 3.994 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNc3ncccc3C(=O)N3CCCCC3)C2)cc1 ZINC000819934848 897069998 /nfs/dbraw/zinc/06/99/98/897069998.db2.gz HUZQDXNPQUJEPY-SFHVURJKSA-N 0 0 394.519 3.655 20 10 GHCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)C(F)(F)C1(O)CCCCC1 ZINC000820006358 897081491 /nfs/dbraw/zinc/08/14/91/897081491.db2.gz UWIOPWJBSPHQSX-UHFFFAOYSA-N 0 0 386.402 3.665 20 10 GHCDRN Cc1ccc(C[NH2+]Cc2cc(Br)cc(F)c2[O-])c(N2CCCC2)n1 ZINC000883085131 897270072 /nfs/dbraw/zinc/27/00/72/897270072.db2.gz JQPJMECDMCMDBE-UHFFFAOYSA-N 0 0 394.288 3.887 20 10 GHCDRN CS(C)(=O)=Nc1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000883130211 897307158 /nfs/dbraw/zinc/30/71/58/897307158.db2.gz WCVYZLSPYFBKHD-UHFFFAOYSA-N 0 0 377.485 3.634 20 10 GHCDRN CC(=O)N1C[C@@H]2CN(C(=O)c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C[C@@H]2C1 ZINC000820408365 897308667 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CCOc1ccc(N(C)Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1 ZINC000132159517 897692576 /nfs/dbraw/zinc/69/25/76/897692576.db2.gz PTXXNMWSMQNZDI-UHFFFAOYSA-N 0 0 386.473 3.780 20 10 GHCDRN C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1N)c1ccc(N2CCOCC2)cc1 ZINC001136442824 897863897 /nfs/dbraw/zinc/86/38/97/897863897.db2.gz GIORXIRNZQTCQI-LBPRGKRZSA-N 0 0 394.302 3.903 20 10 GHCDRN CCSc1ccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000883776597 897918743 /nfs/dbraw/zinc/91/87/43/897918743.db2.gz DBOKCTXCEBWZQT-UHFFFAOYSA-N 0 0 399.560 3.759 20 10 GHCDRN C[C@@]1(c2ccccc2)CCCN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000883782980 897924704 /nfs/dbraw/zinc/92/47/04/897924704.db2.gz OXYNWWFOBSXXBT-DEOSSOPVSA-N 0 0 393.531 3.869 20 10 GHCDRN Cc1ccc(-c2cncc(C(=O)NCc3ccc(N4CCOCC4)cc3)c2)cc1 ZINC000133194883 898199963 /nfs/dbraw/zinc/19/99/63/898199963.db2.gz NOUSFCKSTLSONG-UHFFFAOYSA-N 0 0 387.483 3.824 20 10 GHCDRN CCc1cccc(CC)c1-n1c(SCC(=O)C(C)=O)nnc1-c1cccnc1 ZINC000289569247 914244134 /nfs/dbraw/zinc/24/41/34/914244134.db2.gz 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CN1CCCc2cc(CNC(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])ccc21 ZINC000822868147 898700094 /nfs/dbraw/zinc/70/00/94/898700094.db2.gz UUPAXNZMEDTWKZ-UHFFFAOYSA-N 0 0 393.365 3.926 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)NCc3c(F)cccc3Cl)C2)cc1 ZINC000822870018 898701229 /nfs/dbraw/zinc/70/12/29/898701229.db2.gz PWBXMIHXEZIGEC-CQSZACIVSA-N 0 0 391.874 3.813 20 10 GHCDRN CCc1c(C(=O)N2CCOc3cc(N(C)C)ccc32)cnn1-c1ccc(C)cc1 ZINC000569522808 898742479 /nfs/dbraw/zinc/74/24/79/898742479.db2.gz KNVGLTIBFUGYSN-UHFFFAOYSA-N 0 0 390.487 3.848 20 10 GHCDRN CCSC1(CNC(=O)N(CC)Cc2cc(Br)ccc2O)CC1 ZINC000823013146 898771266 /nfs/dbraw/zinc/77/12/66/898771266.db2.gz WYVAJZRIGFRPOV-UHFFFAOYSA-N 0 0 387.343 3.972 20 10 GHCDRN Cc1cnccc1/C=C\C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000823003549 898789454 /nfs/dbraw/zinc/78/94/54/898789454.db2.gz HJTVPLZZWUKCCY-UQCOIBPSSA-N 0 0 387.430 3.790 20 10 GHCDRN Cc1cc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)ccc1C(N)=O ZINC000111762111 898826655 /nfs/dbraw/zinc/82/66/55/898826655.db2.gz 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Cc1ccc(C(=O)Nc2ccc(N(C)CCN(C)c3ccc(N)cc3)cc2)cn1 ZINC001147168260 903710852 /nfs/dbraw/zinc/71/08/52/903710852.db2.gz WAVGRKCNTJOJEW-UHFFFAOYSA-N 0 0 389.503 3.797 20 10 GHCDRN Cc1cc(CC(=O)N2NC(=O)C[C@]23CCCC[C@@H]3C)c(C)n1-c1ccccc1 ZINC001147279431 903754373 /nfs/dbraw/zinc/75/43/73/903754373.db2.gz STVQDIIHFMXXEI-HJPURHCSSA-N 0 0 379.504 3.849 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1nc2ccsc2s1 ZINC000265394194 903861692 /nfs/dbraw/zinc/86/16/92/903861692.db2.gz OFGXPKAWOGNISG-UHFFFAOYSA-N 0 0 388.518 3.858 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCNc2ncc(Cl)cc2Cl)c1 ZINC000103605133 903893076 /nfs/dbraw/zinc/89/30/76/903893076.db2.gz FMCHQIQKUKNEKJ-JTQLQIEISA-N 0 0 399.278 3.575 20 10 GHCDRN CC(C)(C)OC(=O)Nc1nc(Cl)ccc1NC(=O)c1cccc(O)c1O ZINC001148212175 904007827 /nfs/dbraw/zinc/00/78/27/904007827.db2.gz PSKLEXMUAOMHJC-UHFFFAOYSA-N 0 0 379.800 3.746 20 10 GHCDRN O=C(NCC1(Cc2ccccn2)CCC(F)(F)CC1)c1cccc(O)c1O ZINC001148224836 904010793 /nfs/dbraw/zinc/01/07/93/904010793.db2.gz WHNGQLVQEHVBLW-UHFFFAOYSA-N 0 0 376.403 3.661 20 10 GHCDRN CC(=O)c1ccc(C(=O)N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC001148306881 904030233 /nfs/dbraw/zinc/03/02/33/904030233.db2.gz KIJCFMWNRNBWBC-UHFFFAOYSA-N 0 0 392.377 3.750 20 10 GHCDRN Cc1cc(C)cc(C(=O)c2ccccc2NC(=O)c2cc(O)c(O)c(O)c2)c1 ZINC001148586047 904127649 /nfs/dbraw/zinc/12/76/49/904127649.db2.gz GKUWKQOCHASIFX-UHFFFAOYSA-N 0 0 377.396 3.904 20 10 GHCDRN CC(C)CCn1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000159814536 904151162 /nfs/dbraw/zinc/15/11/62/904151162.db2.gz PIJYFZCGFAHLQV-GOSISDBHSA-N 0 0 386.496 3.848 20 10 GHCDRN COc1ccc(N2CC[C@H](CNc3nc(N(C)C)cc(C(F)(F)F)n3)C2)cc1 ZINC001186781299 914802545 /nfs/dbraw/zinc/80/25/45/914802545.db2.gz OJYOHCRPIUCPTQ-CYBMUJFWSA-N 0 0 395.429 3.508 20 10 GHCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2c(F)cc(C)cc2F)cc1F ZINC001186788391 914808351 /nfs/dbraw/zinc/80/83/51/914808351.db2.gz PSPKXWIYNDEXHS-UHFFFAOYSA-N 0 0 386.439 3.737 20 10 GHCDRN C[C@H](NC(=O)COc1ccccc1OCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773002340 904358922 /nfs/dbraw/zinc/35/89/22/904358922.db2.gz ZKESOPSMTYCRIN-AWEZNQCLSA-N 0 0 396.409 3.950 20 10 GHCDRN Cc1nc(COc2ccccc2C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)no1 ZINC000773004722 904362099 /nfs/dbraw/zinc/36/20/99/904362099.db2.gz ACECMTAVZQDMJQ-AWEZNQCLSA-N 0 0 380.448 3.514 20 10 GHCDRN C[C@H](NC(=O)CC1(NC(=O)OC(C)(C)C)CCC1)c1ccc(N(C)C)cc1 ZINC000773008619 904363302 /nfs/dbraw/zinc/36/33/02/904363302.db2.gz HSAQOFWKQYRELJ-HNNXBMFYSA-N 0 0 375.513 3.767 20 10 GHCDRN C[C@H](NC(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000773013043 904366620 /nfs/dbraw/zinc/36/66/20/904366620.db2.gz ZFRUCHVHBCHUCW-DLBZAZTESA-N 0 0 389.540 3.967 20 10 GHCDRN C[C@@H](NC(=O)C[C@@H](c1ccccc1)N1CCOC1=O)c1ccc(N(C)C)cc1 ZINC000773016950 904378548 /nfs/dbraw/zinc/37/85/48/904378548.db2.gz FDBDGXKMQFSLAX-UZLBHIALSA-N 0 0 381.476 3.513 20 10 GHCDRN C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000773019359 904380518 /nfs/dbraw/zinc/38/05/18/904380518.db2.gz KXDWCRZUVVDPEC-IEBWSBKVSA-N 0 0 394.519 3.874 20 10 GHCDRN CCOc1ccc(S(=O)(=O)NCc2ccc(N(CC)CC)c(F)c2)cc1C ZINC001186787054 914807041 /nfs/dbraw/zinc/80/70/41/914807041.db2.gz IOQARVUOYDDKTH-UHFFFAOYSA-N 0 0 394.512 3.858 20 10 GHCDRN C[C@H](NS(=O)(=O)Cc1ccc(Br)cc1)c1ccc(N(C)C)cc1 ZINC000773084292 904416417 /nfs/dbraw/zinc/41/64/17/904416417.db2.gz NYIBOQVNPWMEEZ-ZDUSSCGKSA-N 0 0 397.338 3.696 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(N2CCC(C)CC2)nc1)c1ccc(N(C)C)cc1 ZINC000773213956 904576007 /nfs/dbraw/zinc/57/60/07/904576007.db2.gz KKULQDFKZXEZPN-SFHVURJKSA-N 0 0 395.551 3.944 20 10 GHCDRN CNC(=O)c1cncc(/C=C/C(=O)N(C)c2ccccc2Oc2ccccc2)c1 ZINC000303459079 914829782 /nfs/dbraw/zinc/82/97/82/914829782.db2.gz LJQMNLPESCZWBE-OUKQBFOZSA-N 0 0 387.439 3.910 20 10 GHCDRN C[C@@H](NC(=O)c1cn(-c2ccc(Br)cc2)cn1)c1ccccc1O ZINC001171722728 904947609 /nfs/dbraw/zinc/94/76/09/904947609.db2.gz CBNBBJOMQHVFEI-GFCCVEGCSA-N 0 0 386.249 3.831 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](Cn1ccnc1)c1ccccc1 ZINC000890262644 904969161 /nfs/dbraw/zinc/96/91/61/904969161.db2.gz QNLZOTXLQWVRGN-HXUWFJFHSA-N 0 0 378.476 3.952 20 10 GHCDRN COc1c([O-])c(C[NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)ccc1[N+](=O)[O-] ZINC000775057912 914862609 /nfs/dbraw/zinc/86/26/09/914862609.db2.gz QBQFPGZZNOFOQN-CQSZACIVSA-N 0 0 381.432 3.746 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1c[nH]c(=O)c2ccccc12 ZINC000188760720 904972654 /nfs/dbraw/zinc/97/26/54/904972654.db2.gz XKGMRWIDRPCOOJ-UHFFFAOYSA-N 0 0 375.472 3.791 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1c[nH]nc1-c1cc2ccccc2o1 ZINC000189049112 905025720 /nfs/dbraw/zinc/02/57/20/905025720.db2.gz LJBPZXHWZQQRGL-GFCCVEGCSA-N 0 0 377.400 3.595 20 10 GHCDRN COC(=O)[C@@H](NCc1cc(Br)ccc1O)c1cc(C)cc(C)c1 ZINC000779179664 905146171 /nfs/dbraw/zinc/14/61/71/905146171.db2.gz GBUNVMBSBYGCGL-KRWDZBQOSA-N 0 0 378.266 3.775 20 10 GHCDRN COC(=O)[C@H](NCc1ccc(N2CCCCC2)cc1)c1ccc(OC)cc1OC ZINC000779182109 905190147 /nfs/dbraw/zinc/19/01/47/905190147.db2.gz SFRRWKDYXNDLCB-JOCHJYFZSA-N 0 0 398.503 3.698 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000174172077 905217481 /nfs/dbraw/zinc/21/74/81/905217481.db2.gz FXEIYNQMGHCQEM-UHFFFAOYSA-N 0 0 382.464 3.756 20 10 GHCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C2(c3cccc(F)c3)CCOCC2)c1[O-] ZINC000174649095 905317268 /nfs/dbraw/zinc/31/72/68/905317268.db2.gz MACGBQFVONKUDW-UHFFFAOYSA-N 0 0 380.803 3.888 20 10 GHCDRN CCc1cccc(NC(=O)C[NH2+]Cc2cc(C)cc(Br)c2[O-])c1 ZINC000781629526 905337964 /nfs/dbraw/zinc/33/79/64/905337964.db2.gz IMHLANHCIWTSOS-UHFFFAOYSA-N 0 0 377.282 3.754 20 10 GHCDRN CC1(C)C[C@@H]1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000299178336 921237880 /nfs/dbraw/zinc/23/78/80/921237880.db2.gz YATCGGQAIWUCNH-SUIFULHWSA-N 0 0 380.560 3.644 20 10 GHCDRN Cc1ncsc1CCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000299194078 921244330 /nfs/dbraw/zinc/24/43/30/921244330.db2.gz DQKBYYGFQSCILI-IBGZPJMESA-N 0 0 387.549 3.658 20 10 GHCDRN COc1ccc(Nc2c(CC(N)=O)cccc2C(=O)c2ccccc2)cc1F ZINC001173865934 906724608 /nfs/dbraw/zinc/72/46/08/906724608.db2.gz RRPNCSDDAGWVOH-UHFFFAOYSA-N 0 0 378.403 3.837 20 10 GHCDRN CC(C)NC(=O)c1ccc(Nc2c(N)ccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC001174151302 906844919 /nfs/dbraw/zinc/84/49/19/906844919.db2.gz JHRBHVSVRYYOGQ-UHFFFAOYSA-N 0 0 399.450 3.926 20 10 GHCDRN O=C(NCc1ccc(C2CC2)cc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000191303954 906860369 /nfs/dbraw/zinc/86/03/69/906860369.db2.gz TWRRJYHFDQBCGC-UHFFFAOYSA-N 0 0 383.467 3.539 20 10 GHCDRN CC(C)(C)C[C@H](O)CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000365983261 921275836 /nfs/dbraw/zinc/27/58/36/921275836.db2.gz SRHJAZNYXSQVRP-MRXNPFEDSA-N 0 0 384.467 3.560 20 10 GHCDRN C[C@@H](Sc1nncn1C)C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000181584568 907031249 /nfs/dbraw/zinc/03/12/49/907031249.db2.gz VZCZBJNOTVPRTD-JKSUJKDBSA-N 0 0 396.516 3.791 20 10 GHCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H](C)Sc1nncn1C ZINC000181584615 907031668 /nfs/dbraw/zinc/03/16/68/907031668.db2.gz VZCZBJNOTVPRTD-CVEARBPZSA-N 0 0 396.516 3.791 20 10 GHCDRN CCOC(=O)/C=C/c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000779432326 907045085 /nfs/dbraw/zinc/04/50/85/907045085.db2.gz RFKNBLMGBDYOMO-UXBLZVDNSA-N 0 0 384.451 3.851 20 10 GHCDRN C[C@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1ccc(N2CCOCC2)c(F)c1 ZINC000182827025 907271042 /nfs/dbraw/zinc/27/10/42/907271042.db2.gz VSUSPWFUDJZFID-UONOGXRCSA-N 0 0 385.439 3.555 20 10 GHCDRN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000182992543 907310346 /nfs/dbraw/zinc/31/03/46/907310346.db2.gz WBYFVPWAXIBSQA-UHFFFAOYSA-N 0 0 394.475 3.840 20 10 GHCDRN COc1cccc(Cc2cnc(NC(=O)/C=C\c3ccc(O)c(O)c3)s2)c1 ZINC000779497859 907317655 /nfs/dbraw/zinc/31/76/55/907317655.db2.gz DINWOYDNWCYPCW-VURMDHGXSA-N 0 0 382.441 3.806 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H](O)[C@@H]4CCCC[C@@H]43)c2C)cc1 ZINC001175032104 907343902 /nfs/dbraw/zinc/34/39/02/907343902.db2.gz XHPMYARGXOPLBI-HJNYFJLDSA-N 0 0 382.504 3.868 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000779501142 907349004 /nfs/dbraw/zinc/34/90/04/907349004.db2.gz VYOZTCXVKKHJKC-RQVXFDJMSA-N 0 0 383.288 3.700 20 10 GHCDRN COc1ccc(Oc2ccc(NC(=O)/C=C\c3ccc(O)c(O)c3)cn2)cc1 ZINC000779525174 907363296 /nfs/dbraw/zinc/36/32/96/907363296.db2.gz NOAQVONQBSBAMN-KMKOMSMNSA-N 0 0 378.384 3.946 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCc2c(F)cc(Br)cc2C1 ZINC000779528356 907375570 /nfs/dbraw/zinc/37/55/70/907375570.db2.gz HFFGSZZLOLAIEI-RQOWECAXSA-N 0 0 392.224 3.598 20 10 GHCDRN Cc1nc(CCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)oc1-c1ccccc1 ZINC000183487952 907399218 /nfs/dbraw/zinc/39/92/18/907399218.db2.gz MFCSUUMXFHTLDW-AWEZNQCLSA-N 0 0 380.444 3.741 20 10 GHCDRN CCOc1ccc(N(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC2CC2)cc1 ZINC001175372638 907523760 /nfs/dbraw/zinc/52/37/60/907523760.db2.gz WYKFNZRLCFBVHJ-UHFFFAOYSA-N 0 0 383.448 3.873 20 10 GHCDRN C[C@@H](NCc1noc(Cc2ccc(Br)cc2)n1)c1ccccc1O ZINC001175418593 907542397 /nfs/dbraw/zinc/54/23/97/907542397.db2.gz LWPMVOJIHGNRRN-GFCCVEGCSA-N 0 0 388.265 3.979 20 10 GHCDRN COc1ccc(N2CCN(Cc3ccc(Cl)cc3OC)CC2)c(OC)c1 ZINC001175522220 907599524 /nfs/dbraw/zinc/59/95/24/907599524.db2.gz FAIVTCYTMHSZTK-UHFFFAOYSA-N 0 0 376.884 3.688 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](Cc2nnc[nH]2)c2ccccc2)cc1 ZINC000779557425 907629980 /nfs/dbraw/zinc/62/99/80/907629980.db2.gz YZFCCSAKCDHPLU-OAQYLSRUSA-N 0 0 385.471 3.926 20 10 GHCDRN CC(=O)c1cc(F)cc(CN2CCC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c1O ZINC001175562007 907638053 /nfs/dbraw/zinc/63/80/53/907638053.db2.gz ZNQIAPQOUDBKQD-ZWKOTPCHSA-N 0 0 392.471 3.708 20 10 GHCDRN Cc1cc(C(=O)N2CCC(O)(c3ccccc3)CC2)c(C)n1-c1ccccn1 ZINC000185923139 907852993 /nfs/dbraw/zinc/85/29/93/907852993.db2.gz VGZKMSSZUSIWJR-UHFFFAOYSA-N 0 0 375.472 3.613 20 10 GHCDRN CCOc1ccc(-c2cn(C3CN(Cc4cc(OCC)ccc4O)C3)nn2)cc1 ZINC000779613872 907888118 /nfs/dbraw/zinc/88/81/18/907888118.db2.gz QFTJVHHUDFSFDZ-UHFFFAOYSA-N 0 0 394.475 3.505 20 10 GHCDRN CN(C)c1ccc(CNS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000779621126 907916411 /nfs/dbraw/zinc/91/64/11/907916411.db2.gz YBBLKQOLSWNHHN-UHFFFAOYSA-N 0 0 391.295 3.818 20 10 GHCDRN Cc1csc([C@@H](C)CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000186814415 907989081 /nfs/dbraw/zinc/98/90/81/907989081.db2.gz KYKCTFYCFNTAJZ-WMLDXEAASA-N 0 0 389.521 3.651 20 10 GHCDRN Nc1ccc(OC(=O)c2ccc(Nc3cnn(Cc4cccnc4)c3)cc2)cc1 ZINC001176458308 908119475 /nfs/dbraw/zinc/11/94/75/908119475.db2.gz OKOKLZCEHNTWIR-UHFFFAOYSA-N 0 0 385.427 3.871 20 10 GHCDRN CCCCOc1ccc(N(C)S(=O)(=O)CCc2ccc(N)cc2)c(F)c1F ZINC001176523171 908154758 /nfs/dbraw/zinc/15/47/58/908154758.db2.gz WISTXFJPBKWHHM-UHFFFAOYSA-N 0 0 398.475 3.735 20 10 GHCDRN CC(=O)N1CCN(Cc2ccc(NCc3cc(Cl)cc(C)c3O)cc2)CC1 ZINC000777439564 908182645 /nfs/dbraw/zinc/18/26/45/908182645.db2.gz KSOIKXNVKXFGNC-UHFFFAOYSA-N 0 0 387.911 3.630 20 10 GHCDRN CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000080020387 908207441 /nfs/dbraw/zinc/20/74/41/908207441.db2.gz MTBCQAZLMNHKBM-LPHOPBHVSA-N 0 0 377.504 3.555 20 10 GHCDRN Cc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1C(=O)N(C)C(C)C ZINC000193267355 908222665 /nfs/dbraw/zinc/22/26/65/908222665.db2.gz VJUQATAYJXEFQT-UHFFFAOYSA-N 0 0 381.520 3.924 20 10 GHCDRN COC(=O)c1ccc(CNC(=S)Nc2cccc(Cl)c2)nc1C1CC1 ZINC000779719428 908291678 /nfs/dbraw/zinc/29/16/78/908291678.db2.gz OYTTUAULPZYTPI-UHFFFAOYSA-N 0 0 375.881 3.886 20 10 GHCDRN COc1cccc(N2CCC[C@H](NC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)C2)c1 ZINC000773614893 908415742 /nfs/dbraw/zinc/41/57/42/908415742.db2.gz ULCIKTGQFCCKAF-HKUYNNGSSA-N 0 0 396.535 3.790 20 10 GHCDRN C[C@@H](NC(=O)N1CCN(c2cc(F)ccc2F)CC1)c1ccc(N(C)C)cc1 ZINC000773617026 908423755 /nfs/dbraw/zinc/42/37/55/908423755.db2.gz MKZWQOOVKIASEG-OAHLLOKOSA-N 0 0 388.462 3.624 20 10 GHCDRN C[C@H](NC(=O)N[C@H]1CCCN(c2cccc(F)c2)C1)c1ccc(N(C)C)cc1 ZINC000773618318 908426391 /nfs/dbraw/zinc/42/63/91/908426391.db2.gz IZIPWIISTPALLK-LPHOPBHVSA-N 0 0 384.499 3.921 20 10 GHCDRN C[C@H](NC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000773620002 908447881 /nfs/dbraw/zinc/44/78/81/908447881.db2.gz SYJBUEXATLMURS-KRWDZBQOSA-N 0 0 394.519 3.874 20 10 GHCDRN C[C@H](NC(=O)N[C@@H](c1nccn1C)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000773621410 908449228 /nfs/dbraw/zinc/44/92/28/908449228.db2.gz YHXVKDBHJXARPS-MGPUTAFESA-N 0 0 395.482 3.775 20 10 GHCDRN C[C@@H](NC(=O)N[C@@H](c1nccn1C)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000773621408 908449546 /nfs/dbraw/zinc/44/95/46/908449546.db2.gz YHXVKDBHJXARPS-FOIQADDNSA-N 0 0 395.482 3.775 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)cc1 ZINC000773620735 908450869 /nfs/dbraw/zinc/45/08/69/908450869.db2.gz WGZTXLATYQSLAP-KRWDZBQOSA-N 0 0 396.535 3.790 20 10 GHCDRN C[C@@H](NC(=O)N[C@@H](c1nccn1C)c1ccccc1F)c1ccc(N(C)C)cc1 ZINC000773618050 908465440 /nfs/dbraw/zinc/46/54/40/908465440.db2.gz HENCGOLPQUXBQI-FOIQADDNSA-N 0 0 395.482 3.775 20 10 GHCDRN O=C(NCCCCCc1ccc(F)cc1)NCc1ccc(N2CCOCC2)cc1 ZINC000777465554 908497702 /nfs/dbraw/zinc/49/77/02/908497702.db2.gz DPUCTLJSYVNSNG-UHFFFAOYSA-N 0 0 399.510 3.875 20 10 GHCDRN C[C@@H](c1ccccc1)N(Cc1nnnn1CC(F)(F)F)Cc1ccccc1O ZINC000191015448 908559518 /nfs/dbraw/zinc/55/95/18/908559518.db2.gz NRAOUKIYMVJXMB-AWEZNQCLSA-N 0 0 391.397 3.704 20 10 GHCDRN COc1ccccc1NC(=S)NNc1ccc([N+](=O)[O-])cc1Br ZINC000777474148 908630738 /nfs/dbraw/zinc/63/07/38/908630738.db2.gz UKYXVZISMBPFAV-UHFFFAOYSA-N 0 0 397.254 3.679 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)cc1 ZINC000193750180 908675457 /nfs/dbraw/zinc/67/54/57/908675457.db2.gz SQMOSMRSVZTVAZ-UHFFFAOYSA-N 0 0 388.533 3.645 20 10 GHCDRN CCc1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000193903733 908789224 /nfs/dbraw/zinc/78/92/24/908789224.db2.gz PGCYOVNKYFZNJE-UHFFFAOYSA-N 0 0 378.428 3.715 20 10 GHCDRN Cc1ccc(C)c(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC000193902981 908789668 /nfs/dbraw/zinc/78/96/68/908789668.db2.gz RSFVGIFVYAZDLO-UHFFFAOYSA-N 0 0 378.428 3.770 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC([C@@]2(C)COC(=O)N2)CC1 ZINC001178031668 908880552 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CC(C)c1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c2cnn(C(C)C)c2n1 ZINC000773741666 909029936 /nfs/dbraw/zinc/02/99/36/909029936.db2.gz MEWAROSXFPLPDJ-CQSZACIVSA-N 0 0 396.491 3.908 20 10 GHCDRN CCCc1c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cnn1-c1ccc(F)cc1 ZINC000773744226 909049690 /nfs/dbraw/zinc/04/96/90/909049690.db2.gz QDNHKOVPORPAMU-AWEZNQCLSA-N 0 0 397.450 3.736 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc2c(c1)NC(=O)CS2 ZINC000266344333 909089518 /nfs/dbraw/zinc/08/95/18/909089518.db2.gz HDZBVPQFJFMWOJ-UHFFFAOYSA-N 0 0 383.473 3.637 20 10 GHCDRN CCc1cnccc1[C@@H](C)NC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000773755874 909134886 /nfs/dbraw/zinc/13/48/86/909134886.db2.gz FWLJUCOWRDNSOF-MRXNPFEDSA-N 0 0 382.508 3.682 20 10 GHCDRN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCc1ccccc1O ZINC000773763454 909178224 /nfs/dbraw/zinc/17/82/24/909178224.db2.gz MMVOUZYJOKJVER-SJKOYZFVSA-N 0 0 393.281 3.730 20 10 GHCDRN Cc1ccc(N2C[C@@H](C(=O)NCc3c(O)ccc4ccccc43)CC2=O)cc1F ZINC001179028897 909366662 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GHCDRN COc1ccc(-n2c(C)cc(C(=O)NC3CC(NCC(F)(F)F)C3)c2C)cc1 ZINC001179703207 909672598 /nfs/dbraw/zinc/67/25/98/909672598.db2.gz XYVZWBXJVFLGLF-UHFFFAOYSA-N 0 0 395.425 3.515 20 10 GHCDRN Cc1cc(C)c(CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)c(O)c1 ZINC001179796734 909736014 /nfs/dbraw/zinc/73/60/14/909736014.db2.gz ZLPBYKSAIPOCCU-RHSMWYFYSA-N 0 0 376.497 3.518 20 10 GHCDRN CSCCCN1C(=O)/C(=C/c2ccc(N3CCCC3)nc2)SC1=S ZINC000268191392 909794274 /nfs/dbraw/zinc/79/42/74/909794274.db2.gz WDBWBEVIJUUYRT-KAMYIIQDSA-N 0 0 379.576 3.636 20 10 GHCDRN Cc1cc(C(=O)Nc2nc(-c3cnn(C)c3)ns2)c(C)n1-c1ccccc1C ZINC001179879946 909802418 /nfs/dbraw/zinc/80/24/18/909802418.db2.gz WWOQIOGQMWXLNG-UHFFFAOYSA-N 0 0 392.488 3.907 20 10 GHCDRN COC(=O)[C@H](COC(C)C)N(C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001179926427 909808481 /nfs/dbraw/zinc/80/84/81/909808481.db2.gz YDSGMBSAQHISBA-QHCPKHFHSA-N 0 0 396.531 3.648 20 10 GHCDRN COc1cc(C)c(CN2CCN(C(=O)c3cccc4ccccc43)CC2)c(O)c1 ZINC001180244465 910044265 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CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000246305767 910223916 /nfs/dbraw/zinc/22/39/16/910223916.db2.gz CPBUUIAGGLKZSK-ZMSDIMECSA-N 0 0 397.313 3.644 20 10 GHCDRN Nc1ccc(NC(=O)Nc2ccc(NC(=O)Cc3ccc(O)cc3F)cc2)cc1 ZINC001180650417 910285302 /nfs/dbraw/zinc/28/53/02/910285302.db2.gz ONHFFIFIRDBSCP-UHFFFAOYSA-N 0 0 394.406 3.939 20 10 GHCDRN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c1O ZINC000246439351 910294554 /nfs/dbraw/zinc/29/45/54/910294554.db2.gz DCQQLQGMJHGAHI-AZUAARDMSA-N 0 0 375.415 3.961 20 10 GHCDRN Cc1cc(C)c(CNC(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)c(O)c1 ZINC001180703446 910317570 /nfs/dbraw/zinc/31/75/70/910317570.db2.gz RTNNGRCXKGYSJU-INIZCTEOSA-N 0 0 378.513 3.955 20 10 GHCDRN CC(C)(C)OC(=O)Nc1ccccc1CC(=O)N1CCc2cccc(O)c2C1 ZINC001180899974 910417332 /nfs/dbraw/zinc/41/73/32/910417332.db2.gz SCJDJJGMGNLUBD-UHFFFAOYSA-N 0 0 382.460 3.867 20 10 GHCDRN COCC1(O)CCN(CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1 ZINC000270416205 910555589 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O=[N+]([O-])c1cc(CNc2ccn(-c3ncccc3F)n2)ccc1N1CCCCC1 ZINC000758633843 930111875 /nfs/dbraw/zinc/11/18/75/930111875.db2.gz QFIIPAMLUPBKIR-UHFFFAOYSA-N 0 0 396.426 3.917 20 10 GHCDRN COc1ccc(C[C@H](C)CNC(=O)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000758817261 930178341 /nfs/dbraw/zinc/17/83/41/930178341.db2.gz RAWHYGGUFVOOMO-SFHVURJKSA-N 0 0 379.504 3.749 20 10 GHCDRN CN(c1ccc(CNC(=O)c2cnc3nccnc3c2)cc1)C1CCCCC1 ZINC000759024589 930247756 /nfs/dbraw/zinc/24/77/56/930247756.db2.gz HQZVDMDQELJTRM-UHFFFAOYSA-N 0 0 375.476 3.724 20 10 GHCDRN O=C(NCCCSc1nccs1)NC[C@@H]1SCCc2ccccc21 ZINC000759584436 930413382 /nfs/dbraw/zinc/41/33/82/930413382.db2.gz NXIJLMSIEDBMOC-HNNXBMFYSA-N 0 0 379.576 3.955 20 10 GHCDRN CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)C=Cc2ccc(O)c(O)c2)cc1 ZINC000759594695 930418314 /nfs/dbraw/zinc/41/83/14/930418314.db2.gz IAIHTXIDKJIIMC-ZDWRTJATSA-N 0 0 397.427 3.664 20 10 GHCDRN COc1ccc2c(c1)CCCN(C(=O)NCCCSc1nccs1)C2 ZINC000759602763 930421826 /nfs/dbraw/zinc/42/18/26/930421826.db2.gz 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O=C(N[C@@H](c1ccccn1)C1CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000925532157 931812730 /nfs/dbraw/zinc/81/27/30/931812730.db2.gz DIDAALRYIADSLN-WIYYLYMNSA-N 0 0 381.476 3.629 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCCN(c3ncccc3F)CC2)cc1 ZINC000784214305 931818543 /nfs/dbraw/zinc/81/85/43/931818543.db2.gz VIZPGCQYLTUQFQ-UHFFFAOYSA-N 0 0 392.478 3.981 20 10 GHCDRN COC[C@H]1CN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C[C@@H](C)O1 ZINC000784671217 931973524 /nfs/dbraw/zinc/97/35/24/931973524.db2.gz HWYKHOPMFWMVDS-RDTXWAMCSA-N 0 0 376.884 3.623 20 10 GHCDRN CC[C@@H]([NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000796673022 932025054 /nfs/dbraw/zinc/02/50/54/932025054.db2.gz PURRPKUZGOYNEV-UXHICEINSA-N 0 0 376.447 3.785 20 10 GHCDRN CC[C@@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccc(F)cc1[O-] ZINC000796935331 932114306 /nfs/dbraw/zinc/11/43/06/932114306.db2.gz GYACOBAPMLJNQI-FUHWJXTLSA-N 0 0 384.430 3.985 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccc4nccc(C)c4c3)CC2)cc1F ZINC000797074500 932170152 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O=C(c1ccc(O)cc1)c1ccc(O)c(O)c1O[C@@H]1CCCc2cccnc21 ZINC001228116221 1032789479 /nfs/dbraw/zinc/78/94/79/1032789479.db2.gz WBQWIKXBNPJFFU-GOSISDBHSA-N 0 0 377.396 3.886 20 10 GHCDRN CSc1ccc(CCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000933138101 1018857627 /nfs/dbraw/zinc/85/76/27/1018857627.db2.gz KVHOVGRQYTWPDI-UHFFFAOYSA-N 0 0 398.572 3.866 20 10 GHCDRN C[C@@H]1Cc2cc(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)ccc2O1 ZINC000933156548 1018865757 /nfs/dbraw/zinc/86/57/57/1018865757.db2.gz HYIAWUXDJAQHKA-MRXNPFEDSA-N 0 0 395.503 3.540 20 10 GHCDRN COc1ccc(O)c(CNC(=O)c2ccccc2N(C)C(=O)c2cccs2)c1 ZINC000155989442 1019589108 /nfs/dbraw/zinc/58/91/08/1019589108.db2.gz VSCPDQLIQNTYDE-UHFFFAOYSA-N 0 0 396.468 3.669 20 10 GHCDRN O=C1c2ccccc2C(=O)c2c(OC[C@H]3CC[C@]4(CCCCO4)O3)ccc(O)c21 ZINC001228216800 1032846666 /nfs/dbraw/zinc/84/66/66/1032846666.db2.gz PAOALSPFAGNUMP-FATZIPQQSA-N 0 0 394.423 3.622 20 10 GHCDRN COC(=O)c1cccc(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)c1N ZINC001156054985 1032857543 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GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1csc(C=O)c1 ZINC000834514676 1021238237 /nfs/dbraw/zinc/23/82/37/1021238237.db2.gz UJNJTXMPIGYPRM-UHFFFAOYSA-N 0 0 388.489 3.563 20 10 GHCDRN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ncc(-c2ccccc2)n1C ZINC000834518643 1021241667 /nfs/dbraw/zinc/24/16/67/1021241667.db2.gz LFOPCWAABPHMFV-QGZVFWFLSA-N 0 0 394.494 3.914 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)[C@@H](C)Cc1ccc(O)c(O[C@@H]2COC(=O)C2)c1 ZINC001228517932 1032967291 /nfs/dbraw/zinc/96/72/91/1032967291.db2.gz AGLLRSPYNLZWAU-ZQIUZPCESA-N 0 0 386.444 3.555 20 10 GHCDRN CCc1cccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1O ZINC001626154762 1021290146 /nfs/dbraw/zinc/29/01/46/1021290146.db2.gz QXVSIPBVKKZZTL-GASCZTMLSA-N 0 0 386.467 3.637 20 10 GHCDRN C[C@H](Cc1ccc(O)c(O)c1)[C@@H](C)Cc1ccc(O)c(OC[C@H]2COCO2)c1 ZINC001228523593 1032969385 /nfs/dbraw/zinc/96/93/85/1032969385.db2.gz UQCPMPCICWACBF-RVKKMQEKSA-N 0 0 388.460 3.613 20 10 GHCDRN CCOC(=O)CN(Cc1ccc(N2CCC(O)CC2)cc1)[C@H](C)c1ccccc1 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392.459 3.964 20 10 GHCDRN O=[N+]([O-])c1cccc2c1ccnc2NCc1ccc(N2CCOCC2)c(F)c1 ZINC000827420166 1022160826 /nfs/dbraw/zinc/16/08/26/1022160826.db2.gz LLZIINBLSUJYAZ-UHFFFAOYSA-N 0 0 382.395 3.731 20 10 GHCDRN O=S(=O)(Cc1ccccc1Cl)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000754039399 1022439054 /nfs/dbraw/zinc/43/90/54/1022439054.db2.gz WOMZRGPCXBVFDM-KRWDZBQOSA-N 0 0 395.908 3.557 20 10 GHCDRN COc1ccc(CN2CCCc3cc(O)c(O)cc3C2)c(Br)c1 ZINC001140760281 1022460445 /nfs/dbraw/zinc/46/04/45/1022460445.db2.gz CLSGRMUWCDBAEG-UHFFFAOYSA-N 0 0 378.266 3.817 20 10 GHCDRN CO[C@H]([C@@H](C)NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CC1 ZINC000835939221 1022491615 /nfs/dbraw/zinc/49/16/15/1022491615.db2.gz IBAXNYAGHYTFHU-AUUYWEPGSA-N 0 0 380.448 3.970 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000754160999 1022513175 /nfs/dbraw/zinc/51/31/75/1022513175.db2.gz UUADZJBSSKVMSR-QHCPKHFHSA-N 0 0 393.531 3.830 20 10 GHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)Cc2ccc3c(c2)COC3)cc1 ZINC000754237500 1022552243 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CN(C)c1ccc(CN2CCN(C(=O)c3cccc(F)c3)CC2)c(Cl)c1 ZINC001140923874 1022900116 /nfs/dbraw/zinc/90/01/16/1022900116.db2.gz KJUHUISTIVAYPH-UHFFFAOYSA-N 0 0 375.875 3.503 20 10 GHCDRN COC1(CCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC1 ZINC000836474518 1023005898 /nfs/dbraw/zinc/00/58/98/1023005898.db2.gz LNHMLVHOAZZTDB-OAHLLOKOSA-N 0 0 397.466 3.515 20 10 GHCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000755019331 1023025321 /nfs/dbraw/zinc/02/53/21/1023025321.db2.gz OKBAAEIEBPSDPT-UHFFFAOYSA-N 0 0 391.427 3.714 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000836500394 1023035568 /nfs/dbraw/zinc/03/55/68/1023035568.db2.gz KZIWTROJQQPQPW-INIZCTEOSA-N 0 0 398.463 3.586 20 10 GHCDRN CC(F)(F)CCCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000836502415 1023038756 /nfs/dbraw/zinc/03/87/56/1023038756.db2.gz DSEOKMRGCBFMHS-ZDUSSCGKSA-N 0 0 391.409 3.991 20 10 GHCDRN C[C@H](CCCC(F)(F)F)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000755227885 1023143635 /nfs/dbraw/zinc/14/36/35/1023143635.db2.gz NHLXCNOEXTZXJV-CYBMUJFWSA-N 0 0 391.409 3.583 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N[C@@H]3C[C@H]3c3cccc(OC)c3)CC2)cc1 ZINC000836637845 1023200415 /nfs/dbraw/zinc/20/04/15/1023200415.db2.gz SSWZEJZOLZJWRA-FCHUYYIVSA-N 0 0 395.503 3.528 20 10 GHCDRN Oc1ccc([C@H]2CN(Cc3ncco3)CCc3c(Cl)c(O)c(O)cc32)cc1 ZINC001141011226 1023200467 /nfs/dbraw/zinc/20/04/67/1023200467.db2.gz VVFFCHMKJAXRNG-MRXNPFEDSA-N 0 0 386.835 3.635 20 10 GHCDRN O=C(CCSc1ccccn1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000755384357 1023225485 /nfs/dbraw/zinc/22/54/85/1023225485.db2.gz UYKBLWXGUMLOFP-UHFFFAOYSA-N 0 0 375.457 3.912 20 10 GHCDRN Cc1c(Br)nccc1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000836675297 1023241082 /nfs/dbraw/zinc/24/10/82/1023241082.db2.gz KMRMQBCXBRCJIR-UHFFFAOYSA-N 0 0 381.249 3.679 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2ccnn2-c2ccccn2)cc1 ZINC000836696087 1023267345 /nfs/dbraw/zinc/26/73/45/1023267345.db2.gz GTFYSVNHNFKYBN-UHFFFAOYSA-N 0 0 378.480 3.777 20 10 GHCDRN COc1cccc(-c2nc(C)c(C(=O)NCc3ccc(N4CCCC4)cc3)[nH]2)c1 ZINC000755509826 1023277760 /nfs/dbraw/zinc/27/77/60/1023277760.db2.gz AAUOQIYLVBCGNF-UHFFFAOYSA-N 0 0 390.487 3.924 20 10 GHCDRN Cc1csc([C@@H](NC(=O)NCc2ccc(N(C)C)cc2C)C(F)(F)F)n1 ZINC000836704790 1023278572 /nfs/dbraw/zinc/27/85/72/1023278572.db2.gz DFXUHQPFEOBQNW-CQSZACIVSA-N 0 0 386.443 3.929 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)Nc3ccc4c(c3)CCCC4=O)CC2)cc1 ZINC000836710771 1023288922 /nfs/dbraw/zinc/28/89/22/1023288922.db2.gz BJVHNFRBRKEWLB-UHFFFAOYSA-N 0 0 393.487 3.958 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2CCN(c3ncccc3F)C2)c(C)n1-c1ccc(F)cc1 ZINC000755579555 1023300437 /nfs/dbraw/zinc/30/04/37/1023300437.db2.gz WBIIKRKOVMRWRB-QGZVFWFLSA-N 0 0 396.441 3.776 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccc(-c3nc(C)no3)nc2)cc1F ZINC000836734762 1023323295 /nfs/dbraw/zinc/32/32/95/1023323295.db2.gz KEQLGVPQPDGBGZ-UHFFFAOYSA-N 0 0 398.442 3.747 20 10 GHCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C[C@](C)(O)C2CC2)cc1 ZINC000755885914 1023422760 /nfs/dbraw/zinc/42/27/60/1023422760.db2.gz YVLJDKQWNRGDPL-QHCPKHFHSA-N 0 0 382.504 3.846 20 10 GHCDRN COc1ccc(O)c(CNC(=O)Cc2ccccc2NC(=O)OC(C)(C)C)c1 ZINC000756001763 1023472716 /nfs/dbraw/zinc/47/27/16/1023472716.db2.gz GBGRKFSVNTVFGE-UHFFFAOYSA-N 0 0 386.448 3.607 20 10 GHCDRN CN(c1ccc(CNC(=O)N2CC[C@@H](c3nccn3C)C2)cc1)C1CCCCC1 ZINC000756053461 1023499818 /nfs/dbraw/zinc/49/98/18/1023499818.db2.gz PEMPJWMMDPWVOW-LJQANCHMSA-N 0 0 395.551 3.888 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCO[C@H](c2ccnn2C)C1 ZINC000836975701 1023535825 /nfs/dbraw/zinc/53/58/25/1023535825.db2.gz SVGPUHLAZNHABH-QAPCUYQASA-N 0 0 384.505 3.539 20 10 GHCDRN O=c1[nH]c(CN(Cc2ccccc2O)C[C@@H]2CCCO2)nc2cc(Cl)ccc12 ZINC000756337374 1023595040 /nfs/dbraw/zinc/59/50/40/1023595040.db2.gz WAKNOLLHQFLWQV-INIZCTEOSA-N 0 0 399.878 3.876 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1cc(Br)cc(F)c1[O-] ZINC000756350776 1023601561 /nfs/dbraw/zinc/60/15/61/1023601561.db2.gz FTKVVEBBSNHHEE-ZYHUDNBSSA-N 0 0 382.229 3.784 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000756379519 1023620988 /nfs/dbraw/zinc/62/09/88/1023620988.db2.gz OOJKQUSLHXJKSH-KUHUBIRLSA-N 0 0 378.875 3.909 20 10 GHCDRN C[C@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1cc(Br)c(F)cc1[O-] ZINC000756391400 1023625886 /nfs/dbraw/zinc/62/58/86/1023625886.db2.gz CCULQFXMXLVCLV-VIFPVBQESA-N 0 0 382.233 3.635 20 10 GHCDRN Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])C2 ZINC000756395080 1023626658 /nfs/dbraw/zinc/62/66/58/1023626658.db2.gz GPSIYLNKEUQLKZ-JOYOIKCWSA-N 0 0 380.261 3.600 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000756482776 1023679319 /nfs/dbraw/zinc/67/93/19/1023679319.db2.gz LHPQELNOLFFZLH-LRTDBIEQSA-N 0 0 383.444 3.752 20 10 GHCDRN C[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756526674 1023698254 /nfs/dbraw/zinc/69/82/54/1023698254.db2.gz NALPJSNVJAHUPW-KKUMJFAQSA-N 0 0 393.484 3.987 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H](C)N(C)C)c1cc(Br)cc(Br)c1[O-] ZINC000756535904 1023703268 /nfs/dbraw/zinc/70/32/68/1023703268.db2.gz SGYFCGMTJXJQSL-RKDXNWHRSA-N 0 0 380.124 3.518 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756587838 1023724042 /nfs/dbraw/zinc/72/40/42/1023724042.db2.gz CVADKFODDYQJPY-QWHCGFSZSA-N 0 0 393.390 3.831 20 10 GHCDRN CNC(=O)c1cccc(CC[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])c1 ZINC000756604649 1023734480 /nfs/dbraw/zinc/73/44/80/1023734480.db2.gz NYGUNZMUDMHJKN-NSHDSACASA-N 0 0 395.272 3.547 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000756636929 1023748039 /nfs/dbraw/zinc/74/80/39/1023748039.db2.gz XVHVNMVQNOYYHE-FIKGOQFSSA-N 0 0 382.504 3.740 20 10 GHCDRN COc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756713183 1023784962 /nfs/dbraw/zinc/78/49/62/1023784962.db2.gz VWKWQEAQEYGLMG-ZUZCIYMTSA-N 0 0 384.245 3.687 20 10 GHCDRN C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756779166 1023812094 /nfs/dbraw/zinc/81/20/94/1023812094.db2.gz QOXOWZVZWUYOQF-JDNHERCYSA-N 0 0 384.785 3.919 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756779165 1023812190 /nfs/dbraw/zinc/81/21/90/1023812190.db2.gz QOXOWZVZWUYOQF-FVMDXXJSSA-N 0 0 384.785 3.919 20 10 GHCDRN C[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1cc(Br)c(F)cc1[O-] ZINC000756783092 1023814025 /nfs/dbraw/zinc/81/40/25/1023814025.db2.gz DQQXKNROAHOHAI-QGHHPUGFSA-N 0 0 386.236 3.991 20 10 GHCDRN C[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1cc(Br)c(F)cc1[O-] ZINC000756783087 1023814321 /nfs/dbraw/zinc/81/43/21/1023814321.db2.gz DQQXKNROAHOHAI-BTDLBPIBSA-N 0 0 386.236 3.991 20 10 GHCDRN C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cc(Br)cc(Cl)c1[O-] ZINC000756784615 1023815096 /nfs/dbraw/zinc/81/50/96/1023815096.db2.gz PJDYRIUXSIJDSE-KSBSHMNSSA-N 0 0 376.600 3.772 20 10 GHCDRN COc1cc(Cl)cc(CN2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC001204915800 1033164232 /nfs/dbraw/zinc/16/42/32/1033164232.db2.gz MBOPHLMULXJFED-BETUJISGSA-N 0 0 384.904 3.884 20 10 GHCDRN CCC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1F ZINC000756948027 1023880571 /nfs/dbraw/zinc/88/05/71/1023880571.db2.gz SCHKGQGDFWUDHD-HNNXBMFYSA-N 0 0 384.451 3.746 20 10 GHCDRN Cc1cc(C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)c(C)n1-c1cccc(Cl)c1 ZINC000757000276 1023904387 /nfs/dbraw/zinc/90/43/87/1023904387.db2.gz DALZRVWLYBNQJC-UXHICEINSA-N 0 0 388.895 3.768 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Oc2cccc3c2OCCO3)cc1 ZINC001138096581 1024065739 /nfs/dbraw/zinc/06/57/39/1024065739.db2.gz NWDIISXSWLMBKA-UHFFFAOYSA-N 0 0 391.423 3.826 20 10 GHCDRN C/C=C\C[C@@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)OCC ZINC001138130929 1024185885 /nfs/dbraw/zinc/18/58/85/1024185885.db2.gz DKAZOQUGHAFRCX-LQOHYYORSA-N 0 0 384.476 3.730 20 10 GHCDRN C/C=C\C[C@@H](NC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1)C(=O)OCC ZINC001138133186 1024193327 /nfs/dbraw/zinc/19/33/27/1024193327.db2.gz DSGATPJQEPGCFC-LQOHYYORSA-N 0 0 396.487 3.843 20 10 GHCDRN CON1CCC(N(C)C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 ZINC000837266471 1024301954 /nfs/dbraw/zinc/30/19/54/1024301954.db2.gz AIJOZJOGRYSJPT-UHFFFAOYSA-N 0 0 389.927 3.774 20 10 GHCDRN Cn1cc2c(n1)CN(Cc1ccc(N3CCCCC3)cc1)C[C@@H]2COCC1CC1 ZINC001138216596 1024385655 /nfs/dbraw/zinc/38/56/55/1024385655.db2.gz CSGKAUZUCNSNFI-OAQYLSRUSA-N 0 0 394.563 3.936 20 10 GHCDRN Cc1cc(C(=O)COC(=O)CCOC(C)C)c(C)n1-c1ccc(Cl)cn1 ZINC000837421790 1024446501 /nfs/dbraw/zinc/44/65/01/1024446501.db2.gz WYKQSFFXFFODOB-UHFFFAOYSA-N 0 0 378.856 3.684 20 10 GHCDRN CCc1ncncc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C ZINC000837448088 1024465410 /nfs/dbraw/zinc/46/54/10/1024465410.db2.gz CWRSRIDTIWFWOU-UHFFFAOYSA-N 0 0 398.850 3.535 20 10 GHCDRN Cc1c(CN2CCc3c(c(COCC4CC4)nn3C)C2)c2ccccc2n1C ZINC001138255574 1024479244 /nfs/dbraw/zinc/47/92/44/1024479244.db2.gz LWTVCDPPWXDSSP-UHFFFAOYSA-N 0 0 378.520 3.705 20 10 GHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@H]2C(=O)OCC2(C)C)cc1 ZINC000837632850 1024600622 /nfs/dbraw/zinc/60/06/22/1024600622.db2.gz DORHBRKLDBHDGV-SFHVURJKSA-N 0 0 380.448 3.849 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2cc(C)nc(C)n2)c(C)n1-c1ccc(Cl)cn1 ZINC000837639276 1024603456 /nfs/dbraw/zinc/60/34/56/1024603456.db2.gz XDCUHVPIHGQEGQ-UHFFFAOYSA-N 0 0 398.850 3.589 20 10 GHCDRN CSCC(C)(C)C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000837703468 1024646832 /nfs/dbraw/zinc/64/68/32/1024646832.db2.gz FYEGNEURWSCJDU-UHFFFAOYSA-N 0 0 378.469 3.743 20 10 GHCDRN O=C(/C=C\c1ccc(Cl)s1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837703486 1024646836 /nfs/dbraw/zinc/64/68/36/1024646836.db2.gz GCVOQDASKGLPAL-RQOWECAXSA-N 0 0 398.862 3.846 20 10 GHCDRN O=C(Cc1ccc2ccccc2c1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837704131 1024647506 /nfs/dbraw/zinc/64/75/06/1024647506.db2.gz HJCPYBNJAZUPNP-UHFFFAOYSA-N 0 0 396.437 3.814 20 10 GHCDRN Cc1cccc(Cl)c1CC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837710220 1024653376 /nfs/dbraw/zinc/65/33/76/1024653376.db2.gz JPNUDJPRFVAVOP-UHFFFAOYSA-N 0 0 394.849 3.622 20 10 GHCDRN Cc1ccc(C[C@@H](C)C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000837709267 1024653727 /nfs/dbraw/zinc/65/37/27/1024653727.db2.gz PXIQHIUBURIPOP-MRXNPFEDSA-N 0 0 388.458 3.605 20 10 GHCDRN CN1CCCc2cc(CN3CC[C@@](F)(CNC(=O)OC(C)(C)C)C3)ccc21 ZINC001138359081 1024722598 /nfs/dbraw/zinc/72/25/98/1024722598.db2.gz JYWVSYDCWITHBG-OAQYLSRUSA-N 0 0 377.504 3.508 20 10 GHCDRN CN1CCCc2cc(CN3CCC(F)(F)[C@H](NC(=O)OC(C)(C)C)C3)ccc21 ZINC001138359626 1024723971 /nfs/dbraw/zinc/72/39/71/1024723971.db2.gz WXCXWYJOTNBSSG-GOSISDBHSA-N 0 0 395.494 3.803 20 10 GHCDRN CCN(CC)c1ccc(CN2Cc3nn(CC)cc3[C@H](COC)C2)c(OC)c1 ZINC001138386214 1024758121 /nfs/dbraw/zinc/75/81/21/1024758121.db2.gz JTXKJWRBTWJWFO-SFHVURJKSA-N 0 0 386.540 3.504 20 10 GHCDRN CCN(C(C)=O)C1CC[NH+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141375232 1024769083 /nfs/dbraw/zinc/76/90/83/1024769083.db2.gz ZUSUYFDYKLVAAA-UHFFFAOYSA-N 0 0 389.721 3.641 20 10 GHCDRN CCN(CC)c1ccc(CN2Cc3nnc(C(F)(F)F)n3[C@@H](C)C2)c(OC)c1 ZINC001138391650 1024769572 /nfs/dbraw/zinc/76/95/72/1024769572.db2.gz HVMRUVUKSZCXHP-ZDUSSCGKSA-N 0 0 397.445 3.729 20 10 GHCDRN CCCCOC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141376746 1024773490 /nfs/dbraw/zinc/77/34/90/1024773490.db2.gz CBZWPTJKBGFFCK-NSHDSACASA-N 0 0 390.705 3.973 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1C[NH+]1CCC(Oc2ccncn2)CC1 ZINC001141377490 1024775276 /nfs/dbraw/zinc/77/52/76/1024775276.db2.gz QKSKQYJZJNLENN-UHFFFAOYSA-N 0 0 398.688 3.642 20 10 GHCDRN CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)NCc1ccccc1O ZINC000831808621 1024892969 /nfs/dbraw/zinc/89/29/69/1024892969.db2.gz NOALRFGLGXFMIG-UHFFFAOYSA-N 0 0 388.367 3.971 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000831831749 1024916034 /nfs/dbraw/zinc/91/60/34/1024916034.db2.gz HYWXPINLQKTTPF-MRXNPFEDSA-N 0 0 398.488 3.630 20 10 GHCDRN COC1CCC(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000838192150 1024985773 /nfs/dbraw/zinc/98/57/73/1024985773.db2.gz MILRIPYHFLTRCO-UHFFFAOYSA-N 0 0 397.466 3.514 20 10 GHCDRN CC1(C2(NC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)CC2)CC1 ZINC000838192055 1024986227 /nfs/dbraw/zinc/98/62/27/1024986227.db2.gz KZEHJDNKFQFUNI-UHFFFAOYSA-N 0 0 379.451 3.889 20 10 GHCDRN Cc1cc(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(C)n1-c1ccccc1 ZINC000831924414 1025023040 /nfs/dbraw/zinc/02/30/40/1025023040.db2.gz HTFKWQBNHBIAIE-HNNXBMFYSA-N 0 0 378.472 3.795 20 10 GHCDRN COc1ccc(N2CCN(Cc3cncn3Cc3ccccc3)CC2)c(C)c1 ZINC001138564449 1025032983 /nfs/dbraw/zinc/03/29/83/1025032983.db2.gz BHQVGGPYHFIHOB-UHFFFAOYSA-N 0 0 376.504 3.571 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000838479296 1025161363 /nfs/dbraw/zinc/16/13/63/1025161363.db2.gz PUQMUYOUTCKUTG-HXUWFJFHSA-N 0 0 377.492 3.715 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC1(Cc2cccc(F)c2)CCOCC1 ZINC000838478970 1025161739 /nfs/dbraw/zinc/16/17/39/1025161739.db2.gz OCMLCLFUIJRCGA-UHFFFAOYSA-N 0 0 399.510 3.791 20 10 GHCDRN CN(C(=O)NCCCSc1nccs1)[C@H](c1ncc[nH]1)c1ccccc1 ZINC000838514031 1025185232 /nfs/dbraw/zinc/18/52/32/1025185232.db2.gz DKTARFNLPOENBS-HNNXBMFYSA-N 0 0 387.534 3.779 20 10 GHCDRN C[C@@H]1c2cccn2CCN1Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138681032 1025205307 /nfs/dbraw/zinc/20/53/07/1025205307.db2.gz RYOILDKAEVRXPU-OAHLLOKOSA-N 0 0 390.325 3.664 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)N[C@H]2CCO[C@H](c3ccncc3)C2)C2CC2)cc1 ZINC000838679806 1025287329 /nfs/dbraw/zinc/28/73/29/1025287329.db2.gz CRSGQCPKIXZXJK-UGKGYDQZSA-N 0 0 394.519 3.742 20 10 GHCDRN C[C@H]1CC[C@@]2(CCN(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)C2)C1 ZINC000838740353 1025338895 /nfs/dbraw/zinc/33/88/95/1025338895.db2.gz VKEPRBPLVYEZMU-YCRPNKLZSA-N 0 0 393.478 3.523 20 10 GHCDRN C[C@@H](NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1)c1ccn(C)n1 ZINC000838774699 1025357933 /nfs/dbraw/zinc/35/79/33/1025357933.db2.gz XDIWKCSPZAZDLK-MRXNPFEDSA-N 0 0 381.480 3.552 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1CCCN(c2ccccc2)C1=O ZINC001162113021 1025611469 /nfs/dbraw/zinc/61/14/69/1025611469.db2.gz CGPFOZVAVZZKGV-XMSQKQJNSA-N 0 0 393.531 3.551 20 10 GHCDRN CC(=O)c1cc(F)cc(CN2CCC([C@@H](O)c3cc(F)ccc3F)CC2)c1O ZINC000839159703 1025665446 /nfs/dbraw/zinc/66/54/46/1025665446.db2.gz OSZJFBOQBJHYOG-HXUWFJFHSA-N 0 0 393.405 3.958 20 10 GHCDRN CC[C@@H](Cc1ccccc1Br)C(=O)NCc1ccc(O)cc1O ZINC001162278506 1025700414 /nfs/dbraw/zinc/70/04/14/1025700414.db2.gz JHEXYAZUYSKDTO-LBPRGKRZSA-N 0 0 378.266 3.745 20 10 GHCDRN O=C(NCc1ccc(O)cc1O)c1ccccc1C(=O)c1ccc(F)c(F)c1 ZINC001162278512 1025700483 /nfs/dbraw/zinc/70/04/83/1025700483.db2.gz JMICPHIDSOZLES-UHFFFAOYSA-N 0 0 383.350 3.537 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H](C)Cc1ccccc1Cl ZINC001162540140 1025785676 /nfs/dbraw/zinc/78/56/76/1025785676.db2.gz QPOQFRFUXOADRU-OAHLLOKOSA-N 0 0 389.879 3.816 20 10 GHCDRN CC(C)(NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C1CCC1 ZINC000839412733 1025898086 /nfs/dbraw/zinc/89/80/86/1025898086.db2.gz ZDSMDPZCBXIKLT-UHFFFAOYSA-N 0 0 392.411 3.679 20 10 GHCDRN 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GHCDRN [O-]c1c(Br)cc(F)cc1CN1CC[NH+](CCc2ccccc2)CC1 ZINC001235302930 1040775521 /nfs/dbraw/zinc/77/55/21/1040775521.db2.gz WRRVSEQALXLUJF-UHFFFAOYSA-N 0 0 393.300 3.654 20 10 GHCDRN COc1cncc(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c1C ZINC001235473449 1040953475 /nfs/dbraw/zinc/95/34/75/1040953475.db2.gz KCNRBCWFIXLICT-UHFFFAOYSA-N 0 0 381.398 3.619 20 10 GHCDRN CC[NH2+]C1CCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])CC1 ZINC001235724004 1041209159 /nfs/dbraw/zinc/20/91/59/1041209159.db2.gz LORLCXCPPLWFOV-UHFFFAOYSA-N 0 0 381.236 3.747 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CCC3(CCOCC3)CO2)cc1 ZINC001462531462 1070332191 /nfs/dbraw/zinc/33/21/91/1070332191.db2.gz JATPWGVATDRNSH-OAQYLSRUSA-N 0 0 382.504 3.800 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)NCC3(CO)CCCC3)cc2Cl)C1 ZINC001235834586 1041359437 /nfs/dbraw/zinc/35/94/37/1041359437.db2.gz QHAXDVFPDCQVAJ-INIZCTEOSA-N 0 0 393.959 3.928 20 10 GHCDRN COc1ccc(CN(Cc2ccccc2)[C@@H]2CC[NH2+]C[C@H]2F)c([O-])c1Cl ZINC001235933723 1041438045 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CCC[C@H](COC)[N@H+](CCC(=O)OCC)Cc1ccc(OC)c(Cl)c1[O-] ZINC001236810002 1041910671 /nfs/dbraw/zinc/91/06/71/1041910671.db2.gz PUIFZFLFIFBZIA-OAHLLOKOSA-N 0 0 387.904 3.625 20 10 GHCDRN Clc1cc(N2CCOCC2)ccc1CN1CC2(CCN2Cc2ccccc2)C1 ZINC001236921050 1041959449 /nfs/dbraw/zinc/95/94/49/1041959449.db2.gz AJOIDOMIPBEUJH-UHFFFAOYSA-N 0 0 397.950 3.637 20 10 GHCDRN OC[C@H]1CCC[C@H](C(F)(F)F)N1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237052515 1042010810 /nfs/dbraw/zinc/01/08/10/1042010810.db2.gz AQEFOIVZRMTJMY-BXUZGUMPSA-N 0 0 387.320 3.611 20 10 GHCDRN Cc1cnc2n1CCN(C)C21CC[NH+](Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237079961 1042025350 /nfs/dbraw/zinc/02/53/50/1042025350.db2.gz IBWOJSUORYXYCA-UHFFFAOYSA-N 0 0 395.334 3.641 20 10 GHCDRN Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3c([O-])ccc(Cl)c3Cl)O2)n1 ZINC001237079221 1042025760 /nfs/dbraw/zinc/02/57/60/1042025760.db2.gz HRVHSUPQZDNCEQ-BPLDGKMQSA-N 0 0 384.263 3.885 20 10 GHCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001237080822 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CC(C)(C)OC(=O)N1CCCC12CN(Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001237136804 1042058762 /nfs/dbraw/zinc/05/87/62/1042058762.db2.gz XBXVJLAZKLKILP-UHFFFAOYSA-N 0 0 386.414 3.996 20 10 GHCDRN CCN1CCn2c(C)cnc2C12CC[NH+](Cc1cc(Cl)cc(F)c1[O-])CC2 ZINC001237618681 1042285486 /nfs/dbraw/zinc/28/54/86/1042285486.db2.gz KONCMTOLMKQANA-UHFFFAOYSA-N 0 0 392.906 3.516 20 10 GHCDRN O=C(c1ccncc1)N1CCN(Cc2cc(-c3ccc(F)cc3)ccc2O)CC1 ZINC001237648719 1042303395 /nfs/dbraw/zinc/30/33/95/1042303395.db2.gz FMSHTHZUYIDGJS-UHFFFAOYSA-N 0 0 391.446 3.551 20 10 GHCDRN C[N@H+](CC/C=C/c1cccnc1)Cc1cccc(I)c1[O-] ZINC001237783829 1042367317 /nfs/dbraw/zinc/36/73/17/1042367317.db2.gz OUEBDCYSAMEVPR-QHHAFSJGSA-N 0 0 394.256 3.927 20 10 GHCDRN C[N@@H+]1C[C@H]2CCCN(Cc3cc(Br)cc(C(F)(F)F)c3[O-])[C@@H]2C1 ZINC001237785105 1042368641 /nfs/dbraw/zinc/36/86/41/1042368641.db2.gz AXYMOGXURASSKY-QMTHXVAHSA-N 0 0 393.247 3.700 20 10 GHCDRN O=C1NCc2ccccc2CC12CC[NH+](Cc1cc(F)cc(Cl)c1[O-])CC2 ZINC001237813911 1042382064 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/nfs/dbraw/zinc/49/50/57/1052495057.db2.gz LOSNMBPBKBNTTO-UHFFFAOYSA-N 0 0 384.823 3.755 20 10 GHCDRN O=C1N[C@H](c2cc(Br)ccc2O)Nc2ccc(Br)cc21 ZINC001337554880 1052501685 /nfs/dbraw/zinc/50/16/85/1052501685.db2.gz MUKMGPZEIQDYOA-CYBMUJFWSA-N 0 0 398.054 3.771 20 10 GHCDRN O=C(NCCCSc1nccs1)N1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC001312261451 1052666509 /nfs/dbraw/zinc/66/65/09/1052666509.db2.gz ZVNCDXXUCMCSNR-DLBZAZTESA-N 0 0 391.562 3.923 20 10 GHCDRN CCc1nn(C)c(CC)c1CNC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001312323994 1052696211 /nfs/dbraw/zinc/69/62/11/1052696211.db2.gz KEGCGMNLTJNFRN-UHFFFAOYSA-N 0 0 393.535 3.952 20 10 GHCDRN O=C(NCc1cc(Cl)ccc1O)NCc1c(Cl)cccc1-n1ccnc1 ZINC001312765585 1052862939 /nfs/dbraw/zinc/86/29/39/1052862939.db2.gz LCAXVIXMSGGIHN-UHFFFAOYSA-N 0 0 391.258 3.884 20 10 GHCDRN CC(C)(C)OC(=O)NCCCCCCNC(=O)NCc1cccc(Cl)c1O ZINC001312904485 1052907134 /nfs/dbraw/zinc/90/71/34/1052907134.db2.gz DQBOZYZOCYTCAD-UHFFFAOYSA-N 0 0 399.919 3.930 20 10 GHCDRN Cc1cc(CNC(=O)NCC2(CC(N)=O)CCCCC2)c(C)n1-c1ccccc1 ZINC001313075191 1052950625 /nfs/dbraw/zinc/95/06/25/1052950625.db2.gz IFMGKXRHDCXLNS-UHFFFAOYSA-N 0 0 396.535 3.719 20 10 GHCDRN O=C(NCC[C@@H]1CCCC1(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001313209701 1052985519 /nfs/dbraw/zinc/98/55/19/1052985519.db2.gz YUGRAUXGEZLQCH-DLBZAZTESA-N 0 0 382.451 3.908 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2C[C@@H]2Cc2ccccc2)cc1 ZINC001313412303 1053046269 /nfs/dbraw/zinc/04/62/69/1053046269.db2.gz ISQTTZIWFOUEDJ-PMACEKPBSA-N 0 0 381.520 3.652 20 10 GHCDRN CCOCc1nnc(N(C)Cc2ccoc2C)n1Cc1ccc(N(C)C)cc1C ZINC001314301459 1053390477 /nfs/dbraw/zinc/39/04/77/1053390477.db2.gz JMLSYVWGCDJIOS-UHFFFAOYSA-N 0 0 397.523 3.775 20 10 GHCDRN CCOCc1nnc(N(C)Cc2ccccc2O)n1CCC[C@H]1CCCCO1 ZINC001314307809 1053396803 /nfs/dbraw/zinc/39/68/03/1053396803.db2.gz WFVNTCDEVNSQEX-GOSISDBHSA-N 0 0 388.512 3.506 20 10 GHCDRN C[C@H]1CN(c2ccc(CNC(=O)c3nccc(Cl)c3F)cc2F)C[C@H](C)O1 ZINC001343128324 1053568560 /nfs/dbraw/zinc/56/85/60/1053568560.db2.gz WUPHFCVZUBZJTG-RYUDHWBXSA-N 0 0 395.837 3.557 20 10 GHCDRN CN(c1nnc(CC2CC2)n1CCCSc1nccs1)[C@H]1CCSC1 ZINC001314697337 1053568763 /nfs/dbraw/zinc/56/87/63/1053568763.db2.gz PHSXCICMSIFJEO-AWEZNQCLSA-N 0 0 395.623 3.811 20 10 GHCDRN CC1=CCN(c2nnc(C3Sc4ncccc4C3=O)n2C[C@@H]2CCCO2)CC1 ZINC001343300612 1053688554 /nfs/dbraw/zinc/68/85/54/1053688554.db2.gz LXRDMXNIPQMYIW-AWEZNQCLSA-N 0 0 397.504 3.596 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)[C@@H]3CCCc4c(O)cccc43)CC2)cc1 ZINC001343512958 1053830703 /nfs/dbraw/zinc/83/07/03/1053830703.db2.gz OVAVYOQWWASKGC-OAQYLSRUSA-N 0 0 380.488 3.560 20 10 GHCDRN COc1ccc(N2CCCN(c3nnc(C(C)(C)C)n3[C@@H]3C[C@@H]3C)CC2)cc1 ZINC001315515877 1053837174 /nfs/dbraw/zinc/83/71/74/1053837174.db2.gz UDQWFLMPNVONEB-QFBILLFUSA-N 0 0 383.540 3.882 20 10 GHCDRN CCOCCCn1c(C2SC=CC2=O)nnc1N1CCC2(CC2(F)F)CC1 ZINC001343948560 1054137552 /nfs/dbraw/zinc/13/75/52/1054137552.db2.gz MJPGILFYUPTQOZ-UHFFFAOYSA-N 0 0 398.479 3.764 20 10 GHCDRN COC(=O)c1c2c(sc1NC(=O)[C@@H]1CC(=O)N(C)c3ccccc31)CCCC2 ZINC001317772659 1054254103 /nfs/dbraw/zinc/25/41/03/1054254103.db2.gz SBPBHNLLNLDBOL-CQSZACIVSA-N 0 0 398.484 3.502 20 10 GHCDRN CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(N2CCN(C)CC2)c(F)c1 ZINC001317902653 1054299346 /nfs/dbraw/zinc/29/93/46/1054299346.db2.gz YMOYFKIIGRZFQY-NRFANRHFSA-N 0 0 382.483 3.554 20 10 GHCDRN CS[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCCCO1 ZINC001344280885 1054336847 /nfs/dbraw/zinc/33/68/47/1054336847.db2.gz QJJWYERGLWBAPT-HOCLYGCPSA-N 0 0 376.526 3.613 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC001318166716 1054466461 /nfs/dbraw/zinc/46/64/61/1054466461.db2.gz DIJFVFNEXCOKQX-UHFFFAOYSA-N 0 0 379.382 3.508 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H](C)c2nnc3n2CCC3)c1 ZINC001318444820 1054643459 /nfs/dbraw/zinc/64/34/59/1054643459.db2.gz YIPYWOYHKUKPPW-CQSZACIVSA-N 0 0 383.883 3.776 20 10 GHCDRN O=C(c1cnn(C2CCCCC2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001318672418 1054788726 /nfs/dbraw/zinc/78/87/26/1054788726.db2.gz NFNZZLFGCOKIJI-HXUWFJFHSA-N 0 0 383.492 3.915 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc([C@@H]2CCC[C@H](O)C2)n1Cc1cccs1 ZINC001344970138 1054832208 /nfs/dbraw/zinc/83/22/08/1054832208.db2.gz QOZFYKVEZZHTPL-WBVHZDCISA-N 0 0 398.532 3.748 20 10 GHCDRN Cc1cc(C(=O)OC[C@H]2CCOC3(CCOCC3)C2)c(C)n1-c1ccccn1 ZINC001345002604 1054847981 /nfs/dbraw/zinc/84/79/81/1054847981.db2.gz QTLGFVHLKDGAOZ-SFHVURJKSA-N 0 0 384.476 3.622 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2ccccc2-n2cnnn2)c1 ZINC001319026173 1054996887 /nfs/dbraw/zinc/99/68/87/1054996887.db2.gz SKRYSPGRNLVCLF-UHFFFAOYSA-N 0 0 392.850 3.976 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)C[C@H](C)c3ccccc3OC)CC2)cc1 ZINC001319453132 1055255858 /nfs/dbraw/zinc/25/58/58/1055255858.db2.gz FJDQUNXPSDIHLB-SFHVURJKSA-N 0 0 382.504 3.936 20 10 GHCDRN Cc1cc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccccn1 ZINC001319704642 1055413295 /nfs/dbraw/zinc/41/32/95/1055413295.db2.gz ODDXWLOYJVMHGZ-UNMCSNQZSA-N 0 0 392.478 3.803 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC001319726471 1055427208 /nfs/dbraw/zinc/42/72/08/1055427208.db2.gz GBNYMSWUUCEFTP-LJQANCHMSA-N 0 0 390.936 3.901 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)CCc3ccc4[nH]ccc4c3)CC2)cc1 ZINC001319826260 1055493211 /nfs/dbraw/zinc/49/32/11/1055493211.db2.gz IZEPHWKEWCDMAL-UHFFFAOYSA-N 0 0 377.488 3.848 20 10 GHCDRN COc1cccc(CNC(=S)N(C)Cc2ccc(N3CCCC3)cc2)c1OC ZINC001200514519 1056191264 /nfs/dbraw/zinc/19/12/64/1056191264.db2.gz KXQQEWIEKGPUAZ-UHFFFAOYSA-N 0 0 399.560 3.811 20 10 GHCDRN CN(C)c1ccc(CNC(=O)NCCc2coc(-c3ccccc3)n2)cc1F ZINC001321435968 1056261810 /nfs/dbraw/zinc/26/18/10/1056261810.db2.gz ODFGPFIURJQRCL-UHFFFAOYSA-N 0 0 382.439 3.589 20 10 GHCDRN C[C@]1(Br)C[C@@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001354113325 1056347560 /nfs/dbraw/zinc/34/75/60/1056347560.db2.gz DEQULOKQMOYDAP-BEFAXECRSA-N 0 0 384.229 3.574 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCN(C)CC(F)(F)F)c1 ZINC001321756704 1056385949 /nfs/dbraw/zinc/38/59/49/1056385949.db2.gz OFZODXKPPHEVEE-UHFFFAOYSA-N 0 0 387.833 3.971 20 10 GHCDRN O=C1N[C@@H](c2cccc(Br)c2O)Nc2ccc(Br)cc21 ZINC001321784050 1056395704 /nfs/dbraw/zinc/39/57/04/1056395704.db2.gz TWKVZBIAFOWPAD-ZDUSSCGKSA-N 0 0 398.054 3.771 20 10 GHCDRN CCn1cccc(CNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)c1=O ZINC001322311677 1056622548 /nfs/dbraw/zinc/62/25/48/1056622548.db2.gz FGTJVGNIKGPCRY-UHFFFAOYSA-N 0 0 383.879 3.859 20 10 GHCDRN COc1ccc(N2CCN(C(=S)Nc3ccc(F)c(F)c3)CC2)c(C)c1 ZINC001200694181 1056750809 /nfs/dbraw/zinc/75/08/09/1056750809.db2.gz UGWAOLGJPXLWFO-UHFFFAOYSA-N 0 0 377.460 3.801 20 10 GHCDRN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)N2CCOc3ccc(Cl)cc32)C1 ZINC001354566388 1056781054 /nfs/dbraw/zinc/78/10/54/1056781054.db2.gz IJFRPXDOSWBLBM-AWEZNQCLSA-N 0 0 378.856 3.679 20 10 GHCDRN O=Cc1cn(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccccc12 ZINC000848225324 1056912049 /nfs/dbraw/zinc/91/20/49/1056912049.db2.gz GKOIJLGAEOHFKA-UHFFFAOYSA-N 0 0 375.472 3.761 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)CCC(=O)c3ccc(C)s3)CC2)cc1 ZINC001323192670 1056936334 /nfs/dbraw/zinc/93/63/34/1056936334.db2.gz VHEDBUNQJXUBOO-UHFFFAOYSA-N 0 0 386.517 3.767 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3ccccc3OCC3CC3)C2)cc1 ZINC001200791572 1056952392 /nfs/dbraw/zinc/95/23/92/1056952392.db2.gz PMFMSBUWWJKUFM-KRWDZBQOSA-N 0 0 381.476 3.884 20 10 GHCDRN Cc1cc(Cl)cc(Cl)c1NC(=S)NC[C@H](O)c1ccc(O)c(O)c1 ZINC001200806297 1056969344 /nfs/dbraw/zinc/96/93/44/1056969344.db2.gz MNHPBLVEBRWVMH-AWEZNQCLSA-N 0 0 387.288 3.733 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3ccc4cc(OC)ccc4c3)CC2)cc1 ZINC001323965196 1057045263 /nfs/dbraw/zinc/04/52/63/1057045263.db2.gz WMFBVVISGHQOKF-UHFFFAOYSA-N 0 0 376.456 3.819 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]3CCCC3(F)F)cc2F)C[C@@H](C)O1 ZINC001355128890 1057057694 /nfs/dbraw/zinc/05/76/94/1057057694.db2.gz AVTDKRRHJNLJCR-FMKPAKJESA-N 0 0 384.442 3.881 20 10 GHCDRN CCOc1ccc(N2CCN(C(=O)CCc3ccc4ccccc4n3)CC2)cc1 ZINC001324090074 1057068479 /nfs/dbraw/zinc/06/84/79/1057068479.db2.gz IFCKKHXRVZDRJA-UHFFFAOYSA-N 0 0 389.499 3.915 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CC[C@H](N3CCCC3=O)C2)c1 ZINC001324547191 1057160739 /nfs/dbraw/zinc/16/07/39/1057160739.db2.gz AISFLUUTGBJWBX-KRWDZBQOSA-N 0 0 385.895 3.584 20 10 GHCDRN CN(Cc1cccs1)c1ccc(CNCc2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000848563616 1057181639 /nfs/dbraw/zinc/18/16/39/1057181639.db2.gz WZOYZNDBMSYMJO-GOSISDBHSA-N 0 0 383.521 3.644 20 10 GHCDRN O=C(Nc1c2nonc2ccc1Cl)[C@H]1CCN(c2ccccc2Cl)C1 ZINC001324718095 1057211173 /nfs/dbraw/zinc/21/11/73/1057211173.db2.gz KKRYREJCGIURNI-JTQLQIEISA-N 0 0 377.231 3.995 20 10 GHCDRN Cc1cc(NC(=O)c2ccc(C3=S=CC=C3)s2)n(-c2cc(C)nc(C)n2)n1 ZINC001325204864 1057288752 /nfs/dbraw/zinc/28/87/52/1057288752.db2.gz YHGSWIKELPSOFD-UHFFFAOYSA-N 0 0 395.513 3.527 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC[C@@H](CCC(N)=O)C2)c1 ZINC001325858855 1057374449 /nfs/dbraw/zinc/37/44/49/1057374449.db2.gz DJOLIZARSBWLTM-INIZCTEOSA-N 0 0 387.911 3.865 20 10 GHCDRN COc1c([O-])c(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)ccc1[N+](=O)[O-] ZINC000848925430 1057426058 /nfs/dbraw/zinc/42/60/58/1057426058.db2.gz CYFLHFXJKDRSBP-UHFFFAOYSA-N 0 0 398.337 3.987 20 10 GHCDRN CN(C)c1ccc(CNC(=O)Cc2csc(COc3ccccc3)n2)cc1F ZINC001356250477 1057447348 /nfs/dbraw/zinc/44/73/48/1057447348.db2.gz HKAPWWMJSYZGNB-UHFFFAOYSA-N 0 0 399.491 3.786 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)NC2(C3CC3)CCOCC2)CCCC1 ZINC001326494859 1057496114 /nfs/dbraw/zinc/49/61/14/1057496114.db2.gz UAAKDSAAJPOLGM-UHFFFAOYSA-N 0 0 382.504 3.604 20 10 GHCDRN COc1ccc(N2CCN(C(=O)/C=C\Sc3cc(F)ccc3F)CC2)cc1 ZINC001356445055 1057515436 /nfs/dbraw/zinc/51/54/36/1057515436.db2.gz GYQXSNJFJKKGDW-JYRVWZFOSA-N 0 0 390.455 3.928 20 10 GHCDRN COCc1cc(NC[C@H]2CCN(c3ccc(OC)cc3)C2)nc(C(C)(C)C)n1 ZINC001326633846 1057525740 /nfs/dbraw/zinc/52/57/40/1057525740.db2.gz QEKSOTKKTDTYLB-MRXNPFEDSA-N 0 0 384.524 3.868 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc(C2CC2)nn1C ZINC001326693328 1057536285 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COC(=O)CN(Cc1ccc(N(C)C)cc1C)Cc1cc(Cl)ccc1O ZINC001474380636 1074375809 /nfs/dbraw/zinc/37/58/09/1074375809.db2.gz XATPWAOMBZGKOD-UHFFFAOYSA-N 0 0 376.884 3.595 20 10 GHCDRN COC(=O)[C@@H](C[C@H]1CCCc2ccccc21)NCc1ccc(OC)c(OC)c1O ZINC001474452889 1074413584 /nfs/dbraw/zinc/41/35/84/1074413584.db2.gz MVMCXSGMCGNLFC-VQIMIIECSA-N 0 0 399.487 3.551 20 10 GHCDRN C[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])C[C@@H](O)Cc1ccccc1 ZINC001474552490 1074460095 /nfs/dbraw/zinc/46/00/95/1074460095.db2.gz LCQLQHPUVXKORA-HNNXBMFYSA-N 0 0 384.701 3.844 20 10 GHCDRN COC(=O)c1c(CNc2cccc3c2OCCCO3)c2cc(F)ccc2n1C ZINC001474680978 1074511094 /nfs/dbraw/zinc/51/10/94/1074511094.db2.gz XTMGKVCNDUWVGY-UHFFFAOYSA-N 0 0 384.407 3.877 20 10 GHCDRN COC(=O)[C@@H]1Cc2ccccc2N(Cc2cc(Br)cc(F)c2O)C1 ZINC001474723723 1074534022 /nfs/dbraw/zinc/53/40/22/1074534022.db2.gz HBBYUFLOSZMKHO-CYBMUJFWSA-N 0 0 394.240 3.646 20 10 GHCDRN CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC001474744935 1074543176 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[O-]c1c(Br)cc(Cl)cc1C[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC001651025958 1126252620 /nfs/dbraw/zinc/25/26/20/1126252620.db2.gz WKYSOKBRQYPOPY-CQSZACIVSA-N 0 0 388.664 3.640 20 10 GHCDRN CCSCC[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000821461797 599218480 /nfs/dbraw/zinc/21/84/80/599218480.db2.gz TURFOCZITMTZBV-CYBMUJFWSA-N 0 0 398.536 3.536 20 10 GHCDRN Fc1ccc2c(C3=CCN(c4cccc(F)c4-c4nn[nH]n4)CC3)c[nH]c2c1 ZINC000737657063 598239955 /nfs/dbraw/zinc/23/99/55/598239955.db2.gz TZXYOJOAUQTKDO-UHFFFAOYSA-N 0 0 378.386 3.920 20 10 GHCDRN CCN(Cc1ccoc1)C(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000736557160 598611561 /nfs/dbraw/zinc/61/15/61/598611561.db2.gz XUEOIMRMASNNIQ-UHFFFAOYSA-N 0 0 390.447 3.530 20 10 GHCDRN Cc1cc(C(=O)N2CCc3c2cccc3C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737409856 598612560 /nfs/dbraw/zinc/61/25/60/598612560.db2.gz SAASVYDTGUJULM-UHFFFAOYSA-N 0 0 398.470 3.786 20 10 GHCDRN CCN(Cc1ccc(C[NH+](C)C)cc1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000737105845 600126475 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382.855 3.618 20 10 GHCDRN c1[nH]c2ncccc2c1C1=CCN(c2ccc3cc(-c4nn[nH]n4)ccc3n2)CC1 ZINC000823867569 608221284 /nfs/dbraw/zinc/22/12/84/608221284.db2.gz CITKSLPORMGRFA-UHFFFAOYSA-N 0 0 394.442 3.585 20 10 GHCDRN Oc1c(Br)cccc1CNc1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000826510756 609200226 /nfs/dbraw/zinc/20/02/26/609200226.db2.gz IZWUWUPCTUOPET-UHFFFAOYSA-N 0 0 380.633 3.600 20 10 GHCDRN O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccccc1O[C@@H]1CCOC1 ZINC000177975847 837482715 /nfs/dbraw/zinc/48/27/15/837482715.db2.gz PPIJVPLPDZNIEO-LJQANCHMSA-N 0 0 381.476 3.776 20 10 GHCDRN Cc1cc(C)n(Cc2cccc(C(=O)N3CCOc4cc(N(C)C)ccc43)c2)n1 ZINC000173208416 837584058 /nfs/dbraw/zinc/58/40/58/837584058.db2.gz NBWJBMFSPGHDFE-UHFFFAOYSA-N 0 0 390.487 3.653 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1csc(Cc2ccccc2)n1 ZINC000173192981 837593419 /nfs/dbraw/zinc/59/34/19/837593419.db2.gz WPZPFSWKMCMXTM-UHFFFAOYSA-N 0 0 379.485 3.839 20 10 GHCDRN CC(C)CC(=O)Nc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1F ZINC000173205808 837599841 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Cc1cc(-n2c(C)cc(C(=O)NCc3ccc(N4CCCC4)cc3)c2C)no1 ZINC000028332256 844030140 /nfs/dbraw/zinc/03/01/40/844030140.db2.gz QCDKPOFQNZORSC-UHFFFAOYSA-N 0 0 378.476 3.921 20 10 GHCDRN CCCNC(=O)c1cccc(NC(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471166169 835327193 /nfs/dbraw/zinc/32/71/93/835327193.db2.gz VEFHRIGBKVENDM-UHFFFAOYSA-N 0 0 378.476 3.948 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccccc1Oc1ccncc1 ZINC000510118302 835408508 /nfs/dbraw/zinc/40/85/08/835408508.db2.gz LBZXRSDNVHLYHJ-UHFFFAOYSA-N 0 0 375.428 3.979 20 10 GHCDRN Cc1cc(Br)cc(C)c1NC(=O)NCCCOC[C@@H]1CCCO1 ZINC000120509199 835528568 /nfs/dbraw/zinc/52/85/68/835528568.db2.gz OVUZGBFQBVIPPC-HNNXBMFYSA-N 0 0 385.302 3.773 20 10 GHCDRN CC(=O)N[C@@H](CC(=O)NCc1c(C)c2ccccc2n1C)c1c(F)cccc1F ZINC000471230555 836047765 /nfs/dbraw/zinc/04/77/65/836047765.db2.gz SRWAOOIUHMBOLC-SFHVURJKSA-N 0 0 399.441 3.649 20 10 GHCDRN Cc1cc(C(=O)N(C)C[C@H]2CCOC2)c(C)n1-c1cccc(Br)c1 ZINC000177246883 836185016 /nfs/dbraw/zinc/18/50/16/836185016.db2.gz 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C[C@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c2ccccc21 ZINC000122992959 840676797 /nfs/dbraw/zinc/67/67/97/840676797.db2.gz FMUUWRFBYLRMHJ-HNNXBMFYSA-N 0 0 383.467 3.620 20 10 GHCDRN C[C@@H]1CCC[C@@H](N(C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000122998342 840745839 /nfs/dbraw/zinc/74/58/39/840745839.db2.gz IDFILRGCLTVDJS-NVXWUHKLSA-N 0 0 377.504 3.507 20 10 GHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)[C@@H](C)c1c(F)cccc1F ZINC000584801050 840921402 /nfs/dbraw/zinc/92/14/02/840921402.db2.gz KPLGYWPLUDDBQV-AWEZNQCLSA-N 0 0 399.441 3.601 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccccc1NC(=O)Cc1cccs1 ZINC000588405178 840990013 /nfs/dbraw/zinc/99/00/13/840990013.db2.gz SABRLTYRZGZVTE-NTMALXAHSA-N 0 0 394.452 3.992 20 10 GHCDRN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000588406800 841051156 /nfs/dbraw/zinc/05/11/56/841051156.db2.gz OFVKYJZJOSHOEG-YBNHLDJLSA-N 0 0 381.472 3.670 20 10 GHCDRN CCc1ccc(-c2nc(CC(=O)NCCc3ccc(O)c(O)c3)cs2)cc1 ZINC000157819367 841160836 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CC(=O)c1cc(F)cc(C[NH+]2CCC(Cc3ccccc3C(=O)[O-])CC2)c1O ZINC000851707206 877871588 /nfs/dbraw/zinc/87/15/88/877871588.db2.gz WIOHWWMLWFYTBU-UHFFFAOYSA-N 0 0 385.435 3.887 20 10 GHCDRN CC[C@H](Sc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000110231151 877922429 /nfs/dbraw/zinc/92/24/29/877922429.db2.gz TWCCZMNZLKGKBI-FQEVSTJZSA-N 0 0 388.508 3.849 20 10 GHCDRN C[C@H](NC(=O)C(=O)N[C@H](c1ccccc1)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000788236892 877970474 /nfs/dbraw/zinc/97/04/74/877970474.db2.gz YLPYKSVVJZQQJC-OXJNMPFZSA-N 0 0 381.520 3.833 20 10 GHCDRN Cc1cccc(O[C@@H](C)CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1 ZINC000761485833 877980710 /nfs/dbraw/zinc/98/07/10/877980710.db2.gz JKOIXCVMSWJGOG-AWEZNQCLSA-N 0 0 388.851 3.586 20 10 GHCDRN Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000530510734 877983533 /nfs/dbraw/zinc/98/35/33/877983533.db2.gz KCWPBFVMYIGTNW-UHFFFAOYSA-N 0 0 390.487 3.653 20 10 GHCDRN CCC(O)(CC)CC[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000788273579 877986801 /nfs/dbraw/zinc/98/68/01/877986801.db2.gz LKMPHBXLSBWTMT-UHFFFAOYSA-N 0 0 395.135 3.948 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CCSc4ccccc43)C2)cc1 ZINC000851938315 877988965 /nfs/dbraw/zinc/98/89/65/877988965.db2.gz NVNJWARVKCSVBF-DNVCBOLYSA-N 0 0 383.517 3.810 20 10 GHCDRN Oc1c(CNc2cnc(OCc3ccncc3)nc2)cc(Cl)c2cccnc12 ZINC001168525618 878024193 /nfs/dbraw/zinc/02/41/93/878024193.db2.gz HTQQRRBJCZWWCG-UHFFFAOYSA-N 0 0 393.834 3.970 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1CCc2cc(Cl)ccc21 ZINC000852005992 878027642 /nfs/dbraw/zinc/02/76/42/878027642.db2.gz AWOOQSGKDPQRMG-NRFANRHFSA-N 0 0 399.922 3.788 20 10 GHCDRN C[C@H](CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000852035394 878044339 /nfs/dbraw/zinc/04/43/39/878044339.db2.gz SIRWKAKQMVXRRW-GOSISDBHSA-N 0 0 381.520 3.641 20 10 GHCDRN CN(C)c1ccc(CNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000008172349 878049923 /nfs/dbraw/zinc/04/99/23/878049923.db2.gz CPHYWRCUKLKFDR-UHFFFAOYSA-N 0 0 384.867 3.705 20 10 GHCDRN CCS[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852178203 878123414 /nfs/dbraw/zinc/12/34/14/878123414.db2.gz RFNFQNKBGFDJGX-PMACEKPBSA-N 0 0 391.581 3.511 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1nccc(Oc2ccccc2)n1 ZINC000788532764 878163876 /nfs/dbraw/zinc/16/38/76/878163876.db2.gz UGUFKXHQGVTLEX-UHFFFAOYSA-N 0 0 376.460 3.742 20 10 GHCDRN C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000788582711 878183044 /nfs/dbraw/zinc/18/30/44/878183044.db2.gz ILFZGBKROHNLID-GFCCVEGCSA-N 0 0 387.423 3.806 20 10 GHCDRN C[C@H](NC(=O)NC[C@H](O)c1cccc2ccccc21)c1ccc(N(C)C)cc1 ZINC000852261904 878183396 /nfs/dbraw/zinc/18/33/96/878183396.db2.gz WACQTAZGAZYBET-AOMKIAJQSA-N 0 0 377.488 4.000 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)NCc3cccc(CSC)c3)C2)cc1 ZINC000852273156 878192074 /nfs/dbraw/zinc/19/20/74/878192074.db2.gz SJCIBHIGUTVTJU-GOSISDBHSA-N 0 0 385.533 3.636 20 10 GHCDRN COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])c1 ZINC000788604617 878202136 /nfs/dbraw/zinc/20/21/36/878202136.db2.gz UVBPZRTTXYNHHK-APPDUMDISA-N 0 0 385.382 3.812 20 10 GHCDRN Cc1ccc(C(=O)OCC(=O)Nc2ccc(-c3ccccc3)cc2)c(O)c1O ZINC000110522997 878220489 /nfs/dbraw/zinc/22/04/89/878220489.db2.gz YTRRYGZWPBOMIS-UHFFFAOYSA-N 0 0 377.396 3.869 20 10 GHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CCC[C@H]2c2cn[nH]c2)CCCC1 ZINC000615888746 878221763 /nfs/dbraw/zinc/22/17/63/878221763.db2.gz MZEREKWJUBTIJC-IBGZPJMESA-N 0 0 378.476 3.616 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CCC(C2CCC2)CC1 ZINC000852379857 878288288 /nfs/dbraw/zinc/28/82/88/878288288.db2.gz YRDPXYJFWSFJHE-UHFFFAOYSA-N 0 0 393.478 3.523 20 10 GHCDRN C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000788749393 878322345 /nfs/dbraw/zinc/32/23/45/878322345.db2.gz FHOFNSWGXRFPGF-GFCCVEGCSA-N 0 0 399.388 3.633 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CN1c2ccccc2CCC1=O ZINC000110611942 878326998 /nfs/dbraw/zinc/32/69/98/878326998.db2.gz HGXRPMINBLATDV-UHFFFAOYSA-N 0 0 391.515 3.615 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](C(F)(F)F)C[C@H]3C)C2)cc1 ZINC000852450075 878330542 /nfs/dbraw/zinc/33/05/42/878330542.db2.gz YHFDVYZQWKQCJM-KFWWJZLASA-N 0 0 385.430 3.646 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H]3c3cccc(C)n3)C2)cc1 ZINC000852453922 878335210 /nfs/dbraw/zinc/33/52/10/878335210.db2.gz MGZRIFKPIXHAKL-UWJYYQICSA-N 0 0 380.492 3.524 20 10 GHCDRN COCCOc1cc(COC(=O)c2ccc(-n3c(C)ccc3C)cc2)ccn1 ZINC001127581582 878413778 /nfs/dbraw/zinc/41/37/78/878413778.db2.gz XTUUNFBCRBKKDH-UHFFFAOYSA-N 0 0 380.444 3.871 20 10 GHCDRN C[C@@H]1CCC[C@H](CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)O1 ZINC000852579406 878437692 /nfs/dbraw/zinc/43/76/92/878437692.db2.gz HQWNBDQQCYXWOZ-RDTXWAMCSA-N 0 0 397.466 3.514 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2cc3ccccc3o2)cc1 ZINC000788955517 878462985 /nfs/dbraw/zinc/46/29/85/878462985.db2.gz SQTXWIHUUYSQJE-UHFFFAOYSA-N 0 0 393.487 3.554 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCc2c(C)oc3ccccc32)cc1 ZINC000788964149 878473448 /nfs/dbraw/zinc/47/34/48/878473448.db2.gz KVDMARBPGHLYIB-UHFFFAOYSA-N 0 0 393.487 3.520 20 10 GHCDRN Cc1ccc([C@H]2CCCN2C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000788932084 878479750 /nfs/dbraw/zinc/47/97/50/878479750.db2.gz LPPUHVWBDIYPPV-JOCHJYFZSA-N 0 0 391.515 3.575 20 10 GHCDRN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C1CCC(F)CC1 ZINC000852632888 878485099 /nfs/dbraw/zinc/48/50/99/878485099.db2.gz KCZMYJMUMZEPPA-IPJUCJBFSA-N 0 0 377.504 3.581 20 10 GHCDRN CC[C@](NCc1ccc(OC)c(Cn2cccn2)c1)(C(=O)OC)c1ccccc1 ZINC001183217797 912354516 /nfs/dbraw/zinc/35/45/16/912354516.db2.gz NIOZAHFQAYSCNK-HSZRJFAPSA-N 0 0 393.487 3.508 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCCC(C)(C)c2ccccc2)cc1 ZINC000788977050 878523148 /nfs/dbraw/zinc/52/31/48/878523148.db2.gz HIAUDZYEPCRMAW-UHFFFAOYSA-N 0 0 395.547 3.633 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](C(=O)OC(C)(C)C)C2CCC2)c1 ZINC000852719802 878545776 /nfs/dbraw/zinc/54/57/76/878545776.db2.gz QQEXYVZGEVCMSR-CXAGYDPISA-N 0 0 392.496 3.519 20 10 GHCDRN COc1ccc(N2CCCN(C(=O)NCC(C)(C)CC(F)(F)F)CC2)cc1 ZINC000852725259 878550604 /nfs/dbraw/zinc/55/06/04/878550604.db2.gz ZQNQXPHKYHGNAI-UHFFFAOYSA-N 0 0 387.446 3.896 20 10 GHCDRN Cc1c(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cccc1N(C)C ZINC000180148432 878561412 /nfs/dbraw/zinc/56/14/12/878561412.db2.gz GITMRTXYDKDYMA-SFHVURJKSA-N 0 0 383.492 3.980 20 10 GHCDRN CCOC(=O)/C(=C\c1cn2cc(C)ccc2n1)c1nccn1Cc1ccccc1 ZINC000789129258 878615017 /nfs/dbraw/zinc/61/50/17/878615017.db2.gz SWVCYFMTOBUWLE-MOSHPQCFSA-N 0 0 386.455 3.991 20 10 GHCDRN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000068485572 878615185 /nfs/dbraw/zinc/61/51/85/878615185.db2.gz PRISMWJGKRVDLH-INIZCTEOSA-N 0 0 396.491 3.582 20 10 GHCDRN COc1cccc(CNC(=O)c2cccc(OCc3csc(C)n3)c2)c1O ZINC000068488998 878630653 /nfs/dbraw/zinc/63/06/53/878630653.db2.gz ZMGYTOWUBDSTDC-UHFFFAOYSA-N 0 0 384.457 3.675 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)Nc3cccc(N(C)C)c3C)CC2)cc1 ZINC000180193496 878642446 /nfs/dbraw/zinc/64/24/46/878642446.db2.gz YJCBWGMMHGQKSQ-UHFFFAOYSA-N 0 0 382.508 3.860 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2ccccc2Br)c1 ZINC000170880211 878706139 /nfs/dbraw/zinc/70/61/39/878706139.db2.gz RIMDJPRVRJWXON-NSHDSACASA-N 0 0 379.254 3.724 20 10 GHCDRN Cc1conc1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000772733415 878757705 /nfs/dbraw/zinc/75/77/05/878757705.db2.gz IXBUMUOZDIDBQC-XYOKQWHBSA-N 0 0 393.515 3.665 20 10 GHCDRN OC1CCN(c2ccc(CNC(=S)Nc3cccc(Cl)c3)cc2)CC1 ZINC000853041420 878767412 /nfs/dbraw/zinc/76/74/12/878767412.db2.gz YEDACQIOQYIBQL-UHFFFAOYSA-N 0 0 375.925 3.788 20 10 GHCDRN CN1CCCc2cc(CNC(=O)c3cc(F)ccc3Br)ccc21 ZINC000746812704 878934353 /nfs/dbraw/zinc/93/43/53/878934353.db2.gz IPEKNERMSLUYHP-UHFFFAOYSA-N 0 0 377.257 3.901 20 10 GHCDRN CN(Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)Cc1ccccc1O ZINC000111235348 878959424 /nfs/dbraw/zinc/95/94/24/878959424.db2.gz WDFROJCPVONMRN-UHFFFAOYSA-N 0 0 377.469 3.989 20 10 GHCDRN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NCc1cccc(OC)c1O ZINC000789578824 879078237 /nfs/dbraw/zinc/07/82/37/879078237.db2.gz BXFFFHOCBWKIPJ-MRXNPFEDSA-N 0 0 398.286 3.972 20 10 GHCDRN Cc1oc2c(ccc([O-])c2C[N@@H+]2CCC3(COC3)C2)c(=O)c1-c1ccccc1 ZINC000853595910 879153094 /nfs/dbraw/zinc/15/30/94/879153094.db2.gz ZWRKHHLHRQDACM-UHFFFAOYSA-N 0 0 377.440 3.696 20 10 GHCDRN CN(C[C@H]1CC1(C)C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000853642129 879200259 /nfs/dbraw/zinc/20/02/59/879200259.db2.gz HHEFPAOIWWWGBQ-CQSZACIVSA-N 0 0 381.467 3.944 20 10 GHCDRN C[C@@H](O)[C@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1ccccc1 ZINC000853704790 879232253 /nfs/dbraw/zinc/23/22/53/879232253.db2.gz ZZYQMCJIWNMZRV-GCJKJVERSA-N 0 0 381.520 3.844 20 10 GHCDRN Cc1cc(C(=O)Cn2ncc(C(F)(F)F)cc2=O)c(C)n1-c1ccccc1C ZINC000853748940 879260775 /nfs/dbraw/zinc/26/07/75/879260775.db2.gz TXTYRENKMQBSMW-UHFFFAOYSA-N 0 0 389.377 3.861 20 10 GHCDRN Cc1ccc(CC[C@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)o1 ZINC000761546976 879282444 /nfs/dbraw/zinc/28/24/44/879282444.db2.gz DVTYXGLPHXFMFT-LBPRGKRZSA-N 0 0 376.840 3.733 20 10 GHCDRN CC(C)[C@@H](O)[C@@H](NC(=O)NCCCSc1nccs1)c1ccccc1 ZINC000853858246 879336343 /nfs/dbraw/zinc/33/63/43/879336343.db2.gz MIGVGTAFWBSGNI-JKSUJKDBSA-N 0 0 379.551 3.683 20 10 GHCDRN CC(C)(C)c1csc(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000853862219 879339500 /nfs/dbraw/zinc/33/95/00/879339500.db2.gz CPQSZKRWTIOHRC-UHFFFAOYSA-N 0 0 388.537 3.723 20 10 GHCDRN CCc1n[nH]c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1Br ZINC000789892853 879341674 /nfs/dbraw/zinc/34/16/74/879341674.db2.gz URSCPGPDAYQWFM-UHFFFAOYSA-N 0 0 391.313 3.605 20 10 GHCDRN CC(C)[C@@H]1C[C@@]([NH2+]Cc2ccc(N3CCOCC3)cc2)(C(=O)[O-])c2ccccc21 ZINC000789903651 879347990 /nfs/dbraw/zinc/34/79/90/879347990.db2.gz JWFWWHCEYMOTIZ-URXFXBBRSA-N 0 0 394.515 3.736 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)c3cnnn3-c3cccc(F)c3)cc2)CC1 ZINC000789937791 879356089 /nfs/dbraw/zinc/35/60/89/879356089.db2.gz HDPKKOBBOPRUHQ-UHFFFAOYSA-N 0 0 393.466 3.573 20 10 GHCDRN CCOc1cc(CN(C)C(=O)c2c(F)ccc(O)c2O)ccc1OC(F)F ZINC000789954204 879362500 /nfs/dbraw/zinc/36/25/00/879362500.db2.gz ZEEJJONXMPCABL-UHFFFAOYSA-N 0 0 385.338 3.509 20 10 GHCDRN CSCC1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000914200644 879382451 /nfs/dbraw/zinc/38/24/51/879382451.db2.gz MWGHZKDCMFLCOM-UHFFFAOYSA-N 0 0 379.595 3.524 20 10 GHCDRN CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3nccnc3C)c2C)cc1 ZINC000853937923 879383016 /nfs/dbraw/zinc/38/30/16/879383016.db2.gz NNNQRSCAKOHCBF-UHFFFAOYSA-N 0 0 393.443 3.631 20 10 GHCDRN Cc1nc(CS(=O)(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cs1 ZINC000790009248 879399823 /nfs/dbraw/zinc/39/98/23/879399823.db2.gz CQOSRPVAGLLCRB-UHFFFAOYSA-N 0 0 393.578 3.840 20 10 GHCDRN Cc1cc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)ccc1C(N)=O ZINC000111761201 879403352 /nfs/dbraw/zinc/40/33/52/879403352.db2.gz HPUOUJFTGAKOLK-UHFFFAOYSA-N 0 0 380.492 3.652 20 10 GHCDRN COc1cc2c(cc1/C=C1/SC(=S)N(c3ccsc3)C1=O)OCO2 ZINC000790107219 879444395 /nfs/dbraw/zinc/44/43/95/879444395.db2.gz DKEVNFQIGOSBKO-LHHJGKSTSA-N 0 0 377.468 3.891 20 10 GHCDRN Cc1cc(Cc2nc(C3(S(C)(=O)=O)CCCC3)no2)c(C)n1-c1ccccc1 ZINC000854061857 879488851 /nfs/dbraw/zinc/48/88/51/879488851.db2.gz IPPLTWMMJRCIQC-UHFFFAOYSA-N 0 0 399.516 3.882 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N3C[C@@H](O)Cc4ccccc43)c2C)cc1 ZINC000790159320 879498470 /nfs/dbraw/zinc/49/84/70/879498470.db2.gz YBFBYYHUSOOZPH-IBGZPJMESA-N 0 0 376.456 3.667 20 10 GHCDRN C[C@H]1CCC[N@H+](Cc2cc(Br)cc(Br)c2[O-])[C@H]1CO ZINC001203565212 912465671 /nfs/dbraw/zinc/46/56/71/912465671.db2.gz WMERWMXRGZTOJX-ZANVPECISA-N 0 0 393.119 3.510 20 10 GHCDRN [O-]c1c(Br)cccc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000093842302 912467794 /nfs/dbraw/zinc/46/77/94/912467794.db2.gz SDLQSDUASMTEOI-INIZCTEOSA-N 0 0 384.314 3.705 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)Nc2ccc([S@@](C)(=N)=O)cc2)C2CC2)cc1 ZINC000888484005 879539919 /nfs/dbraw/zinc/53/99/19/879539919.db2.gz FTMWWGCKUDHPQP-MHZLTWQESA-N 0 0 386.521 3.985 20 10 GHCDRN COCCN(C(=O)NC1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CC[C@H](C)C1 ZINC000790284121 879567839 /nfs/dbraw/zinc/56/78/39/879567839.db2.gz ODEOMLVRLWFYSD-FXAWDEMLSA-N 0 0 389.540 3.511 20 10 GHCDRN O=C(CCOCC(F)(F)C(F)(F)F)NCc1ccc(N2CCCC2)cc1 ZINC000790290952 879573396 /nfs/dbraw/zinc/57/33/96/879573396.db2.gz REHLKTQQOMZUJZ-UHFFFAOYSA-N 0 0 380.357 3.507 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H](C)Cc3cccc(F)c3)C2)cc1 ZINC000854297435 879702992 /nfs/dbraw/zinc/70/29/92/879702992.db2.gz NMZYKJLMZOLVDL-LPHOPBHVSA-N 0 0 385.483 3.686 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N(Cc3ccccc3)CC(F)F)C2)cc1 ZINC000854299708 879703110 /nfs/dbraw/zinc/70/31/10/879703110.db2.gz KHDUBDXGMLZJNE-QGZVFWFLSA-N 0 0 389.446 3.751 20 10 GHCDRN CCN(C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@@H](C)Cc1ccsc1 ZINC000854298837 879703781 /nfs/dbraw/zinc/70/37/81/879703781.db2.gz IEUYAWUROAHCGI-FUHWJXTLSA-N 0 0 387.549 3.998 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)N(C)[C@H](C)Cc3cccc(F)c3)C2)cc1 ZINC000854297437 879703850 /nfs/dbraw/zinc/70/38/50/879703850.db2.gz NMZYKJLMZOLVDL-VQIMIIECSA-N 0 0 385.483 3.686 20 10 GHCDRN CN(C)c1ccc2c(c1)OCCN2Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000181133046 879759240 /nfs/dbraw/zinc/75/92/40/879759240.db2.gz JVLPKGVNPROIDY-UHFFFAOYSA-N 0 0 380.404 3.715 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@@H]1c1ccccc1 ZINC000122993395 879770764 /nfs/dbraw/zinc/77/07/64/879770764.db2.gz CGNAWRMLWFPWGK-OAQYLSRUSA-N 0 0 397.494 3.834 20 10 GHCDRN Cc1ccc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)c(F)c1 ZINC000176482610 879794895 /nfs/dbraw/zinc/79/48/95/879794895.db2.gz NRPGAHBTZWYDDN-UHFFFAOYSA-N 0 0 391.446 3.878 20 10 GHCDRN COCCN(C(=O)c1cccc(O)c1O)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000790596331 879851014 /nfs/dbraw/zinc/85/10/14/879851014.db2.gz FPKNUOWZHYSYHY-GFCCVEGCSA-N 0 0 383.366 3.966 20 10 GHCDRN CC(=O)N(C)C1CCN(CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)CC1 ZINC000112544239 880010008 /nfs/dbraw/zinc/01/00/08/880010008.db2.gz RDKWNVAYVNYAPI-UHFFFAOYSA-N 0 0 381.520 3.528 20 10 GHCDRN Cc1cc(CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n(C)n1 ZINC000790854187 880021854 /nfs/dbraw/zinc/02/18/54/880021854.db2.gz RLCVGRABHLAPPK-CQSZACIVSA-N 0 0 389.931 3.618 20 10 GHCDRN Oc1ccccc1CN(Cc1ccn(-c2cccc(F)c2)n1)C[C@@H]1CCCO1 ZINC000112599211 880026879 /nfs/dbraw/zinc/02/68/79/880026879.db2.gz UCVBXXYERKNWBP-NRFANRHFSA-N 0 0 381.451 3.898 20 10 GHCDRN O=C(COc1cccc2cccnc21)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000790946239 880093599 /nfs/dbraw/zinc/09/35/99/880093599.db2.gz IXBCXMZEHUVBRF-UHFFFAOYSA-N 0 0 395.422 3.962 20 10 GHCDRN Cc1ccc([C@@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)N2CCOCC2)cc1 ZINC000790949570 880094372 /nfs/dbraw/zinc/09/43/72/880094372.db2.gz VXKQHRCSOPOKQE-GOSISDBHSA-N 0 0 378.875 3.656 20 10 GHCDRN O=C(NCc1ccco1)c1cccc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)c1 ZINC000790949093 880094421 /nfs/dbraw/zinc/09/44/21/880094421.db2.gz QCORGLLLMJSTDO-UHFFFAOYSA-N 0 0 388.826 3.998 20 10 GHCDRN C[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000790970772 880114593 /nfs/dbraw/zinc/11/45/93/880114593.db2.gz FPBVUUJAVGXORN-KUHUBIRLSA-N 0 0 378.875 3.564 20 10 GHCDRN C[C@H](O)[C@@](C)(C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])Cc1ccccc1 ZINC000791002370 880128121 /nfs/dbraw/zinc/12/81/21/880128121.db2.gz GROTYYDYCPICHV-ORAYPTAESA-N 0 0 378.856 3.673 20 10 GHCDRN Cc1cc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c(C)n1-c1ccccc1C ZINC000791075409 880191176 /nfs/dbraw/zinc/19/11/76/880191176.db2.gz XVGNSDJTGVRYCJ-LTMIRXACSA-N 0 0 382.504 3.811 20 10 GHCDRN Cc1cc(CC(=O)N2CC[C@@H](N3CCCC3=O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000791075659 880191462 /nfs/dbraw/zinc/19/14/62/880191462.db2.gz QVIYBFXQQUMLCG-HXUWFJFHSA-N 0 0 399.922 3.513 20 10 GHCDRN C[C@]1(C(=O)NCc2cc(Cl)ccc2O)CC1(Br)Br ZINC000855022826 880219613 /nfs/dbraw/zinc/21/96/13/880219613.db2.gz KFSFPRPDVMPRAZ-LLVKDONJSA-N 0 0 397.494 3.558 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N3C[C@@H](C)OC4(CCOCC4)C3)c2C)cc1 ZINC000791153905 880227613 /nfs/dbraw/zinc/22/76/13/880227613.db2.gz ZUBNPEVERFVVKI-QGZVFWFLSA-N 0 0 398.503 3.513 20 10 GHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](c1ccccc1)C1(CO)CCCCC1 ZINC000855121886 880281793 /nfs/dbraw/zinc/28/17/93/880281793.db2.gz VMRQAAYPSUIPPE-HLXJENQHSA-N 0 0 381.472 3.911 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)C2)cc1 ZINC000855223219 880367574 /nfs/dbraw/zinc/36/75/74/880367574.db2.gz CYGKIBMQVMCIKX-APHBMKBZSA-N 0 0 376.909 3.909 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3ccc4c(c3)CCCCC4=O)C2)cc1 ZINC000855224064 880368890 /nfs/dbraw/zinc/36/88/90/880368890.db2.gz DWELDBLFENMCGW-SFHVURJKSA-N 0 0 378.472 3.613 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cccc(F)c3Br)C2)cc1 ZINC000855224030 880368988 /nfs/dbraw/zinc/36/89/88/880368988.db2.gz DSAQXEGRYSVDDB-GFCCVEGCSA-N 0 0 393.256 3.606 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)CCc3ccc4ccccc4c3O)C2)cc1 ZINC000855225855 880369804 /nfs/dbraw/zinc/36/98/04/880369804.db2.gz NCDAEMNFQXZRFO-IBGZPJMESA-N 0 0 390.483 3.882 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3ccn(C)c3-c3ccccc3)C2)cc1 ZINC000855225637 880370027 /nfs/dbraw/zinc/37/00/27/880370027.db2.gz PITHFSGFTQEJBB-SFHVURJKSA-N 0 0 375.472 3.709 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)CCCC(=O)c3ccc(C)cc3)C2)cc1 ZINC000855226022 880370831 /nfs/dbraw/zinc/37/08/31/880370831.db2.gz MXXOIJBWMNGWCN-IBGZPJMESA-N 0 0 380.488 3.752 20 10 GHCDRN CCOc1ccc(C[C@@H](C)C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000855227789 880371935 /nfs/dbraw/zinc/37/19/35/880371935.db2.gz ZYDHECCMJFYRKS-IEBWSBKVSA-N 0 0 382.504 3.668 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3nc(-c4cccs4)oc3C)C2)cc1 ZINC000855230353 880374137 /nfs/dbraw/zinc/37/41/37/880374137.db2.gz CEXRESHXSKDGPF-CQSZACIVSA-N 0 0 383.473 3.729 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)CCc3c[nH]c4ccc(C)cc34)C2)cc1 ZINC000855230651 880375393 /nfs/dbraw/zinc/37/53/93/880375393.db2.gz GWUDQSOBQFUSDM-GOSISDBHSA-N 0 0 377.488 3.813 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3ccc(Br)cc3C)C2)cc1 ZINC000855232773 880377584 /nfs/dbraw/zinc/37/75/84/880377584.db2.gz UOCHGQATOUVZLR-HNNXBMFYSA-N 0 0 389.293 3.775 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cccc([C@@H]4CCCOC4)c3)C2)cc1 ZINC000855233379 880378210 /nfs/dbraw/zinc/37/82/10/880378210.db2.gz GNQRPXTYQAIIAU-WOJBJXKFSA-N 0 0 380.488 3.598 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3[nH]c4ccc(F)cc4c3Cl)C2)cc1 ZINC000855232997 880378230 /nfs/dbraw/zinc/37/82/30/880378230.db2.gz VMJZXIDVMBCINB-CYBMUJFWSA-N 0 0 387.842 3.978 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3cccc(OCC(F)(F)F)c3)C2)cc1 ZINC000855234178 880378974 /nfs/dbraw/zinc/37/89/74/880378974.db2.gz UTANGLXASUIAHP-HNNXBMFYSA-N 0 0 394.393 3.645 20 10 GHCDRN CN(C)c1ccc(CN(C)S(=O)(=O)Cc2ccccc2C(F)(F)F)cc1 ZINC000113274459 880469134 /nfs/dbraw/zinc/46/91/34/880469134.db2.gz SKSAORPRNRICQX-UHFFFAOYSA-N 0 0 386.439 3.733 20 10 GHCDRN C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000772776323 880494671 /nfs/dbraw/zinc/49/46/71/880494671.db2.gz QGEYKYPUTGVLSY-TZWLIRKLSA-N 0 0 383.444 3.979 20 10 GHCDRN C[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000772777612 880563106 /nfs/dbraw/zinc/56/31/06/880563106.db2.gz WHXOUPXOJXBPJI-WXGCRTCVSA-N 0 0 396.226 3.988 20 10 GHCDRN CC[C@@H](Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1ccc(N(C)C)cc1 ZINC000776817143 880594138 /nfs/dbraw/zinc/59/41/38/880594138.db2.gz UCILEOKFCJJTGY-LJQANCHMSA-N 0 0 386.927 3.905 20 10 GHCDRN CCS[C@@H]1CCCC[C@H]1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761601832 880628216 /nfs/dbraw/zinc/62/82/16/880628216.db2.gz WKDZTWRFQHLOKQ-GDBMZVCRSA-N 0 0 382.913 3.874 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](C)c2nnnn2C2CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000791918030 880804361 /nfs/dbraw/zinc/80/43/61/880804361.db2.gz YQWIKDVWUDMWSF-HNNXBMFYSA-N 0 0 378.480 3.523 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H](CC1CCCC1)C(=O)N1CCc2cccc(O)c2C1 ZINC001183547018 912617911 /nfs/dbraw/zinc/61/79/11/912617911.db2.gz SDIMTWTYXWJMKL-SFHVURJKSA-N 0 0 388.508 3.751 20 10 GHCDRN CC[C@H]([NH2+][C@H]1CCOC[C@H]1OCCOC)c1ccc(Cl)c(Cl)c1[O-] ZINC000776868641 880916430 /nfs/dbraw/zinc/91/64/30/880916430.db2.gz JMEOMISJNNCPNK-SOUVJXGZSA-N 0 0 378.296 3.560 20 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O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000856210417 881044342 /nfs/dbraw/zinc/04/43/42/881044342.db2.gz AZTKOGSZHBBRQL-HOTGVXAUSA-N 0 0 384.442 3.633 20 10 GHCDRN CCCCN(C)c1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000856210874 881044642 /nfs/dbraw/zinc/04/46/42/881044642.db2.gz UJGVASCUKGFQSR-UHFFFAOYSA-N 0 0 395.547 3.814 20 10 GHCDRN CC(C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856211433 881045531 /nfs/dbraw/zinc/04/55/31/881045531.db2.gz PSSZLPOYFOTOKH-HSZRJFAPSA-N 0 0 380.532 3.779 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(-c2ccccc2)o1 ZINC000856212381 881047515 /nfs/dbraw/zinc/04/75/15/881047515.db2.gz KDUILCRQRIQVKQ-UHFFFAOYSA-N 0 0 376.456 3.838 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(Cl)cc1Cl ZINC000774649885 912642822 /nfs/dbraw/zinc/64/28/22/912642822.db2.gz NIVAWYTXMODOLE-UHFFFAOYSA-N 0 0 395.286 3.754 20 10 GHCDRN CCc1c(NC(=O)NCc2ccc(N3CCOCC3)cc2)cnn1C(CC)CC ZINC000792497745 881122711 /nfs/dbraw/zinc/12/27/11/881122711.db2.gz SCKLEAPIOVPOHG-UHFFFAOYSA-N 0 0 399.539 3.965 20 10 GHCDRN C[C@@H]1C[C@H](C)N1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000792535810 881165454 /nfs/dbraw/zinc/16/54/54/881165454.db2.gz WGRAJSSFCUWHAV-SPZIRIJKSA-N 0 0 380.560 3.739 20 10 GHCDRN COC(=O)NC1CCN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 ZINC000856451461 881241839 /nfs/dbraw/zinc/24/18/39/881241839.db2.gz HVQYRACLYYYNML-UHFFFAOYSA-N 0 0 389.883 3.708 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(-n3ccnc3C)c(F)c2)c1 ZINC000103514243 881260397 /nfs/dbraw/zinc/26/03/97/881260397.db2.gz FRNWIUYMNRFXIT-CYBMUJFWSA-N 0 0 398.438 3.594 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1c[nH]cc1-c1ccccc1 ZINC000919971553 881317151 /nfs/dbraw/zinc/31/71/51/881317151.db2.gz QDFBYXPUYRVULK-UHFFFAOYSA-N 0 0 393.462 3.712 20 10 GHCDRN COc1cc(Br)ccc1C(=O)NCCCSc1nccs1 ZINC000114376154 881336587 /nfs/dbraw/zinc/33/65/87/881336587.db2.gz ZJEBUEACLWOZHV-UHFFFAOYSA-N 0 0 387.324 3.826 20 10 GHCDRN CCc1c(C(=O)N2CCOc3cc(N(C)C)ccc32)cnn1Cc1ccccc1 ZINC000188906407 881339206 /nfs/dbraw/zinc/33/92/06/881339206.db2.gz IYENPONXINYWBQ-UHFFFAOYSA-N 0 0 390.487 3.599 20 10 GHCDRN C[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCOCC1)c1ccc(Cl)cc1[O-] ZINC000858493401 883146129 /nfs/dbraw/zinc/14/61/29/883146129.db2.gz SZICZKYJZLIJKT-CYBMUJFWSA-N 0 0 384.904 3.770 20 10 GHCDRN CCC[C@@H](NC(=O)C(=O)NCCCSc1nccs1)C1CCCCC1 ZINC000804616967 883151085 /nfs/dbraw/zinc/15/10/85/883151085.db2.gz REMGEUAQRWEVBE-OAHLLOKOSA-N 0 0 383.583 3.607 20 10 GHCDRN COc1ccc(O)c(CNC(=O)N[C@H](C)[C@@H](OC)c2ccc(Cl)cc2)c1 ZINC000153175496 883217166 /nfs/dbraw/zinc/21/71/66/883217166.db2.gz XCNHLTBTTOOBMH-KZULUSFZSA-N 0 0 378.856 3.630 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)NCc3csc(C(F)(F)F)c3)C2)cc1 ZINC000858598407 883224219 /nfs/dbraw/zinc/22/42/19/883224219.db2.gz DWUATQGDCKYJFK-CYBMUJFWSA-N 0 0 399.438 3.854 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc(NC(=O)C2CC2)s1 ZINC001129819077 883229720 /nfs/dbraw/zinc/22/97/20/883229720.db2.gz GMZXTKRFVNRPDK-AWEZNQCLSA-N 0 0 385.533 3.832 20 10 GHCDRN COc1cccc(CNC(=O)N[C@H](C)[C@H](OC)c2ccc(Cl)cc2)c1O ZINC000175081625 883244548 /nfs/dbraw/zinc/24/45/48/883244548.db2.gz KGPGOOZXDZNCLP-XIKOKIGWSA-N 0 0 378.856 3.630 20 10 GHCDRN O=C(Nc1cccc(N2CCOCC2)c1)c1cccc(F)c1OC(F)(F)F ZINC000858670150 883271295 /nfs/dbraw/zinc/27/12/95/883271295.db2.gz KIBUFHWJFCTCNX-UHFFFAOYSA-N 0 0 384.329 3.813 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)c1cccc([C@@H]2CCOC2)c1 ZINC000804739581 883299009 /nfs/dbraw/zinc/29/90/09/883299009.db2.gz KIEKPFCPRAQGPF-CQSZACIVSA-N 0 0 376.250 3.589 20 10 GHCDRN CN(C)[C@@H](C(=O)NCc1cc(Br)ccc1O)c1cccc(Cl)c1 ZINC000804739492 883299058 /nfs/dbraw/zinc/29/90/58/883299058.db2.gz HMNFOTGIVZHWTP-MRXNPFEDSA-N 0 0 397.700 3.727 20 10 GHCDRN CNC(=O)CC[C@H]1CCCCN1C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000804742324 883301400 /nfs/dbraw/zinc/30/14/00/883301400.db2.gz ZOZVKTULVHTWMK-LJQANCHMSA-N 0 0 381.520 3.923 20 10 GHCDRN CC(C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000804725909 883310156 /nfs/dbraw/zinc/31/01/56/883310156.db2.gz YUIJNUKLZVVFNI-RTWAWAEBSA-N 0 0 385.552 3.575 20 10 GHCDRN CC(C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000804725907 883310280 /nfs/dbraw/zinc/31/02/80/883310280.db2.gz YUIJNUKLZVVFNI-LEWJYISDSA-N 0 0 385.552 3.575 20 10 GHCDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1cc(Br)ccc1O ZINC000804732956 883315249 /nfs/dbraw/zinc/31/52/49/883315249.db2.gz GNJRYAOHXNYWJZ-UHFFFAOYSA-N 0 0 393.237 3.918 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)c1ccn(C2CCCCC2)n1 ZINC000804734825 883318650 /nfs/dbraw/zinc/31/86/50/883318650.db2.gz DNKGNOINNWBXCO-UHFFFAOYSA-N 0 0 378.270 3.786 20 10 GHCDRN C[C@@H](CC(=O)NCc1cc(Br)ccc1O)C(=O)c1cccc(F)c1 ZINC000804736393 883319503 /nfs/dbraw/zinc/31/95/03/883319503.db2.gz QUZQOJFIENTOTM-NSHDSACASA-N 0 0 394.240 3.819 20 10 GHCDRN O=C(NCc1cc(Br)ccc1O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000804737639 883320838 /nfs/dbraw/zinc/32/08/38/883320838.db2.gz UXJPFZHCZHCTEX-UHFFFAOYSA-N 0 0 385.601 3.646 20 10 GHCDRN CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1cc(Br)ccc1O ZINC000804738465 883322044 /nfs/dbraw/zinc/32/20/44/883322044.db2.gz QVVPPKBQZVALIU-QGZVFWFLSA-N 0 0 378.266 3.937 20 10 GHCDRN CCC(CC)n1nc(C)cc1C(=O)NCc1cc(Br)ccc1O ZINC000804738349 883322446 /nfs/dbraw/zinc/32/24/46/883322446.db2.gz MXOBZBUMWBZXOG-UHFFFAOYSA-N 0 0 380.286 3.951 20 10 GHCDRN COC(=O)/C=C\c1ccc(N2CCCN(c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000804825829 883388479 /nfs/dbraw/zinc/38/84/79/883388479.db2.gz HKWSBKYZCLAQIB-NTMALXAHSA-N 0 0 399.422 3.637 20 10 GHCDRN COc1cccc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c1O ZINC000774659417 912702975 /nfs/dbraw/zinc/70/29/75/912702975.db2.gz VCAHBPFSTRKWFR-UHFFFAOYSA-N 0 0 393.268 3.970 20 10 GHCDRN Cc1cc(CNC(=O)N2CC[C@H](O)CC23CCC3)c(C)n1-c1cccc(C)c1 ZINC000858903880 883442508 /nfs/dbraw/zinc/44/25/08/883442508.db2.gz FGSZOMGRSUGHAJ-NRFANRHFSA-N 0 0 381.520 3.992 20 10 GHCDRN Cc1cc(CNC(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)c(C)n1-c1ccccc1 ZINC000858905866 883445153 /nfs/dbraw/zinc/44/51/53/883445153.db2.gz KDGKIJDKIUDDKC-KNQAVFIVSA-N 0 0 399.560 3.948 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3ccccc3OCC(C)C)C2)cc1 ZINC001129992932 883468771 /nfs/dbraw/zinc/46/87/71/883468771.db2.gz BXSYYRBMVPLXMF-GOSISDBHSA-N 0 0 382.504 3.986 20 10 GHCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)nc2C)cc1 ZINC000804944860 883476471 /nfs/dbraw/zinc/47/64/71/883476471.db2.gz JMKZXHWCICAAQU-UHFFFAOYSA-N 0 0 381.929 3.710 20 10 GHCDRN C[C@@H]1CCCC[C@@H]1OCCNC(=O)NCc1cc(Br)ccc1O ZINC000804957021 883510366 /nfs/dbraw/zinc/51/03/66/883510366.db2.gz LXCRSABXDCWRGO-WBMJQRKESA-N 0 0 385.302 3.549 20 10 GHCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCCC3(F)CCC3)cc2F)C[C@H](C)O1 ZINC000804970559 883517206 /nfs/dbraw/zinc/51/72/06/883517206.db2.gz YAODECCHONVOBX-GASCZTMLSA-N 0 0 381.467 3.521 20 10 GHCDRN Cc1ccccc1CN(C)C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000805023843 883539144 /nfs/dbraw/zinc/53/91/44/883539144.db2.gz LZXIFYSZHJPIBY-UHFFFAOYSA-N 0 0 393.531 3.506 20 10 GHCDRN C[C@@H](NS(=O)(=O)Cc1ccccc1Br)c1ccc(N(C)C)cc1 ZINC000805067311 883573440 /nfs/dbraw/zinc/57/34/40/883573440.db2.gz OVFXJKITXUUSFK-CYBMUJFWSA-N 0 0 397.338 3.696 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)Cc3ccc4cnccc4c3)CC2)cc1 ZINC000859096795 883586666 /nfs/dbraw/zinc/58/66/66/883586666.db2.gz IQOFJNYQFMTIFK-UHFFFAOYSA-N 0 0 375.472 3.571 20 10 GHCDRN COc1cccc(CNC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)c1O ZINC000729858833 883590874 /nfs/dbraw/zinc/59/08/74/883590874.db2.gz DSTSMFFEMFSKPP-HNNXBMFYSA-N 0 0 397.500 3.543 20 10 GHCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000186324311 883632170 /nfs/dbraw/zinc/63/21/70/883632170.db2.gz YDBMKELCYXFVAL-OBNPVOHOSA-N 0 0 377.799 3.504 20 10 GHCDRN CC(C)O[C@@H]1C[C@H](NC(=O)NCc2cc(Br)ccc2O)C1(C)C ZINC000805290823 883744948 /nfs/dbraw/zinc/74/49/48/883744948.db2.gz PPNSHVIZWFKNRE-LSDHHAIUSA-N 0 0 385.302 3.546 20 10 GHCDRN CC1(C)CO[C@H](CC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC001126659433 883759854 /nfs/dbraw/zinc/75/98/54/883759854.db2.gz YLFGWRNSTSLHRT-WMLDXEAASA-N 0 0 382.451 3.578 20 10 GHCDRN COC(=O)CCCN1C(=O)/C(=C\c2cnc(C3CCC3)s2)SC1=S ZINC000760219691 883812867 /nfs/dbraw/zinc/81/28/67/883812867.db2.gz VRXRHPCJPJFAJG-XYOKQWHBSA-N 0 0 382.532 3.565 20 10 GHCDRN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897406666 883815431 /nfs/dbraw/zinc/81/54/31/883815431.db2.gz BSHBUENXWSAYBI-LBPRGKRZSA-N 0 0 377.462 3.506 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1nccc(OCc2ccccc2)n1 ZINC000760222836 883885222 /nfs/dbraw/zinc/88/52/22/883885222.db2.gz FBHINOYDINRWPT-UHFFFAOYSA-N 0 0 390.487 3.529 20 10 GHCDRN Cc1cccc2c(O)c(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cnc12 ZINC000163361820 883900334 /nfs/dbraw/zinc/90/03/34/883900334.db2.gz STGPOJANTAPXMN-KRWDZBQOSA-N 0 0 392.455 3.776 20 10 GHCDRN CN(Cc1ccccc1O)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000774674664 912771132 /nfs/dbraw/zinc/77/11/32/912771132.db2.gz GNHDGUAOKZNPCX-UHFFFAOYSA-N 0 0 377.269 3.986 20 10 GHCDRN Cc1cc(C)c(CNC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)c(O)c1 ZINC001183767899 912777009 /nfs/dbraw/zinc/77/70/09/912777009.db2.gz LBBPGDZAQYGTLM-LJQANCHMSA-N 0 0 398.503 3.934 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C[C@@H]2COc3cc(OC)ccc32)cc1F ZINC000760386904 884028961 /nfs/dbraw/zinc/02/89/61/884028961.db2.gz MOFZJZGJMIHEBE-MRXNPFEDSA-N 0 0 386.467 3.863 20 10 GHCDRN Cc1ccccc1NCCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000918635000 884061230 /nfs/dbraw/zinc/06/12/30/884061230.db2.gz VXKVLYAYJSRSNL-HDICACEKSA-N 0 0 399.510 3.866 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](c1ncccc1C)C(C)C ZINC000805871767 884163608 /nfs/dbraw/zinc/16/36/08/884163608.db2.gz JAZUJHKZTQAWSP-FQEVSTJZSA-N 0 0 397.519 3.738 20 10 GHCDRN Cc1cc(C(=O)N(C)Cc2cccc(C(N)=O)c2)c(C)n1-c1cccc(C)c1 ZINC000918679270 884175446 /nfs/dbraw/zinc/17/54/46/884175446.db2.gz DKZUHKVNUPXHGZ-UHFFFAOYSA-N 0 0 375.472 3.774 20 10 GHCDRN COCCn1c(C)cc(C(=O)CN(Cc2ccco2)Cc2ccccc2O)c1C ZINC000153230786 884214999 /nfs/dbraw/zinc/21/49/99/884214999.db2.gz QBGKIPHDESTSOQ-UHFFFAOYSA-N 0 0 396.487 3.935 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCO[C@@H](c3ccco3)C2)cc1 ZINC000859962060 884215167 /nfs/dbraw/zinc/21/51/67/884215167.db2.gz FLLUJPLSHGJGAY-JOCHJYFZSA-N 0 0 392.455 3.642 20 10 GHCDRN Cc1cc(C(=O)O[C@@H](C)C(=O)NCc2ccccn2)c(C)n1-c1ccccc1C ZINC000805959628 884253702 /nfs/dbraw/zinc/25/37/02/884253702.db2.gz GGWDVVZJFLYQIL-SFHVURJKSA-N 0 0 391.471 3.659 20 10 GHCDRN CC(C)(C)OC(=O)NC1CC2(C1)CC[NH+](Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142509057 884305738 /nfs/dbraw/zinc/30/57/38/884305738.db2.gz VTRCXGQBMCQBLH-UHFFFAOYSA-N 0 0 382.451 3.940 20 10 GHCDRN COc1ccc(O)c(CNC(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)c1 ZINC000193020784 884321642 /nfs/dbraw/zinc/32/16/42/884321642.db2.gz RUNBDTRGENHLOX-UHFFFAOYSA-N 0 0 395.381 3.600 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000897683297 884341229 /nfs/dbraw/zinc/34/12/29/884341229.db2.gz LLHBTIJTCSUECR-IBGZPJMESA-N 0 0 375.509 3.887 20 10 GHCDRN CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1cccc(Cl)c1[O-] ZINC000806141021 884399690 /nfs/dbraw/zinc/39/96/90/884399690.db2.gz OVEVIAJQDHKRDQ-JRGCBEDISA-N 0 0 388.939 3.969 20 10 GHCDRN Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000026529907 884401486 /nfs/dbraw/zinc/40/14/86/884401486.db2.gz ORWJWUWXJGJLBQ-UHFFFAOYSA-N 0 0 394.456 3.677 20 10 GHCDRN CC1(C)Oc2ccc(NC(=O)NCc3cc(Br)ccc3O)cc2O1 ZINC000806231039 884494118 /nfs/dbraw/zinc/49/41/18/884494118.db2.gz DHMPYHWGRHIHNI-UHFFFAOYSA-N 0 0 393.237 3.984 20 10 GHCDRN CC(C)[C@@H](c1ccccc1)N(C)C(=O)C(=O)NCCCSc1nccs1 ZINC000806279167 884533595 /nfs/dbraw/zinc/53/35/95/884533595.db2.gz GTJVWMILSLYDDR-INIZCTEOSA-N 0 0 391.562 3.597 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N(C)CCCn2ccnc2C)ccc1C ZINC000860306371 884546811 /nfs/dbraw/zinc/54/68/11/884546811.db2.gz AZDREQLEFYBKMT-UHFFFAOYSA-N 0 0 392.503 3.882 20 10 GHCDRN CS[C@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000117480983 884685427 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CC(C)c1csc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000121892393 901694237 /nfs/dbraw/zinc/69/42/37/901694237.db2.gz NIDLQLBCNKYQSE-MRXNPFEDSA-N 0 0 389.521 3.863 20 10 GHCDRN CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000778929415 901800542 /nfs/dbraw/zinc/80/05/42/901800542.db2.gz KDRSTOVMBNFMOA-JKSUJKDBSA-N 0 0 392.496 3.578 20 10 GHCDRN O=C(NCc1ccc(O)c(O)c1)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000778930308 901827478 /nfs/dbraw/zinc/82/74/78/901827478.db2.gz UAQTUQAEINTYHR-UHFFFAOYSA-N 0 0 385.423 3.881 20 10 GHCDRN CSc1cccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000047324651 901845263 /nfs/dbraw/zinc/84/52/63/901845263.db2.gz WORSLQDYEDTENK-UHFFFAOYSA-N 0 0 389.496 3.830 20 10 GHCDRN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000123908012 901996941 /nfs/dbraw/zinc/99/69/41/901996941.db2.gz LKYUIPMDZVEHMJ-UHFFFAOYSA-N 0 0 394.880 3.773 20 10 GHCDRN COc1cc(Br)nc(NCc2cc(Br)ccc2O)c1 ZINC001171178008 902088473 /nfs/dbraw/zinc/08/84/73/902088473.db2.gz PWISBLLXQHGGCS-UHFFFAOYSA-N 0 0 388.059 3.933 20 10 GHCDRN CCOCc1nc([C@H](C)N[C@@H](C)c2cc(Br)cc(C)c2O)no1 ZINC000290241761 914592794 /nfs/dbraw/zinc/59/27/94/914592794.db2.gz SSFYAWLJSQZPHK-QWRGUYRKSA-N 0 0 384.274 3.794 20 10 GHCDRN CC(C)Oc1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000047550304 902139103 /nfs/dbraw/zinc/13/91/03/902139103.db2.gz KMRFGKWFPFETSA-UHFFFAOYSA-N 0 0 387.455 3.771 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Cc2c(C)nn(CC3CC3)c2C)cc1F ZINC000845469226 902185368 /nfs/dbraw/zinc/18/53/68/902185368.db2.gz SFZHINXRGKISLQ-UHFFFAOYSA-N 0 0 386.515 3.754 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)c2nscc2Br)cc1F ZINC000845470127 902185458 /nfs/dbraw/zinc/18/54/58/902185458.db2.gz ZYWFHTJGRVHCDH-UHFFFAOYSA-N 0 0 386.290 3.821 20 10 GHCDRN O=c1scc(-c2ccccn2)n1CN1CCCc2cc(OC(F)F)ccc21 ZINC000158844544 902213519 /nfs/dbraw/zinc/21/35/19/902213519.db2.gz XQOFARZRXUSQJN-UHFFFAOYSA-N 0 0 389.427 3.984 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H]3[C@@H]3CCCOC3)ccc21 ZINC000576825661 902285609 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Cc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C(F)(F)F)o1 ZINC000274458046 911341646 /nfs/dbraw/zinc/34/16/46/911341646.db2.gz FTIJSSJZTHFLLI-UHFFFAOYSA-N 0 0 382.382 3.716 20 10 GHCDRN COc1cccc(CN2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)c1O ZINC000092361805 911496497 /nfs/dbraw/zinc/49/64/97/911496497.db2.gz HZJCESSVVZJFHX-UHFFFAOYSA-N 0 0 395.286 3.666 20 10 GHCDRN COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774300236 911618968 /nfs/dbraw/zinc/61/89/68/911618968.db2.gz BOJGMZWVMWPTFI-NHYWBVRUSA-N 0 0 377.312 3.527 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](c2ccccc2)C(C)C)cc1 ZINC000774378296 911687105 /nfs/dbraw/zinc/68/71/05/911687105.db2.gz DLOFLHRGMWHUBL-OAQYLSRUSA-N 0 0 381.520 3.663 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)N(C)Cc3cnccn3)cc2Cl)C1 ZINC000284001381 911717419 /nfs/dbraw/zinc/71/74/19/911717419.db2.gz YVDGNBDVZOAOGU-HNNXBMFYSA-N 0 0 387.915 3.708 20 10 GHCDRN Cc1ccc(C(=O)CCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000248162745 911809394 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GHCDRN Cc1nn(C)c2nc(Cl)c(C[NH2+]Cc3cccc(Br)c3[O-])cc12 ZINC000775151014 915596526 /nfs/dbraw/zinc/59/65/26/915596526.db2.gz DGHVAUMNPHTKBU-UHFFFAOYSA-N 0 0 395.688 3.688 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000775152527 915599316 /nfs/dbraw/zinc/59/93/16/915599316.db2.gz QPCWRXITNXBFJN-QGZVFWFLSA-N 0 0 391.512 3.617 20 10 GHCDRN CCOc1c(OC)cc(/C=C2/SC(=S)N(C3CCC3)C2=O)cc1OC ZINC000292293977 915606332 /nfs/dbraw/zinc/60/63/32/915606332.db2.gz JRGNWZBYBZBGBW-XNTDXEJSSA-N 0 0 379.503 3.856 20 10 GHCDRN C[C@@H](NC(=O)c1ccccc1OC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000775159209 915720739 /nfs/dbraw/zinc/72/07/39/915720739.db2.gz YGSYUENNHIIKOR-CQSZACIVSA-N 0 0 394.393 3.913 20 10 GHCDRN Cc1[nH]ccc1C(=O)Nc1ccc(N(C)CCN(C)c2ccc(N)cc2)cc1 ZINC001188159554 915811574 /nfs/dbraw/zinc/81/15/74/915811574.db2.gz SPSQNQDGNJVGAN-UHFFFAOYSA-N 0 0 377.492 3.730 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)NCCc2cccc(C(F)(F)F)n2)cc1 ZINC000292861739 915879272 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COc1ccc2c(c1)c1c(n2CC(=O)N2CCC(OCC3CC3)CC2)CCCC1 ZINC000649791234 916416742 /nfs/dbraw/zinc/41/67/42/916416742.db2.gz SGJVWJUZZFRWNN-UHFFFAOYSA-N 0 0 396.531 3.946 20 10 GHCDRN C[C@H](NCc1cn(-c2ccc(Cl)cc2)nn1)c1ccc(N2CCOCC2)cc1 ZINC000775253673 916643220 /nfs/dbraw/zinc/64/32/20/916643220.db2.gz BCYSZMGKVOPPRG-INIZCTEOSA-N 0 0 397.910 3.608 20 10 GHCDRN CCN(CC)c1ccc(/N=N/c2ccccc2C(=O)N2CCNC(=O)[C@H]2C)cc1 ZINC001189714728 916857602 /nfs/dbraw/zinc/85/76/02/916857602.db2.gz XXVIQZKBGWWWDR-DPQBTTMVSA-N 0 0 393.491 3.909 20 10 GHCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)c1ccccc1-n1ccnc1 ZINC001190074741 917108991 /nfs/dbraw/zinc/10/89/91/917108991.db2.gz JTRYURCUWORVEG-OPMSBBQGSA-N 0 0 383.415 3.839 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000362333876 917213525 /nfs/dbraw/zinc/21/35/25/917213525.db2.gz FEPREAZMJSYKRW-RBBKRZOGSA-N 0 0 377.488 3.640 20 10 GHCDRN COC(=O)c1cnc(SCc2ccc(N3CCC(OC)CC3)cc2)s1 ZINC000295261871 917235754 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/nfs/dbraw/zinc/45/79/43/1021457943.db2.gz KHSZIFPKPAJQGB-OZOXKJRCSA-N 0 0 388.895 3.637 20 10 GHCDRN Cc1nn(C)cc1CN1CCN(c2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC001204583889 1032984944 /nfs/dbraw/zinc/98/49/44/1032984944.db2.gz YJEBIUHFAGRWPO-UHFFFAOYSA-N 0 0 387.487 3.859 20 10 GHCDRN CCc1ccc([C@H](O)CNC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)cc1 ZINC001140395533 1021557209 /nfs/dbraw/zinc/55/72/09/1021557209.db2.gz AQIVAXMRBAMUOW-HSZRJFAPSA-N 0 0 390.483 3.932 20 10 GHCDRN CCOC[C@H]1CN(Cc2ccc(Cl)cc2O)Cc2ncn(CC3CC3)c21 ZINC001140462637 1021753800 /nfs/dbraw/zinc/75/38/00/1021753800.db2.gz JTJYYYACAHAIOG-MRXNPFEDSA-N 0 0 375.900 3.788 20 10 GHCDRN Cc1ccc(NC/C=C/c2ccc(N(C)C)cc2)cc1N1CCCS1(=O)=O ZINC000835032393 1021788022 /nfs/dbraw/zinc/78/80/22/1021788022.db2.gz ABLONGAKUOBJHR-GQCTYLIASA-N 0 0 385.533 3.726 20 10 GHCDRN Cc1ccc(NC/C=C\c2ccc(N(C)C)cc2)cc1N1CCCS1(=O)=O ZINC000835032394 1021788269 /nfs/dbraw/zinc/78/82/69/1021788269.db2.gz ABLONGAKUOBJHR-XQRVVYSFSA-N 0 0 385.533 3.726 20 10 GHCDRN Cc1cc(CC(=O)NCC[S@@](=O)Cc2ccccc2)c(C)n1-c1ccccc1 ZINC000826932170 1021839829 /nfs/dbraw/zinc/83/98/29/1021839829.db2.gz PVCXELBWMGQGRD-MUUNZHRXSA-N 0 0 394.540 3.702 20 10 GHCDRN CC(C)[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1F ZINC000827159173 1021924055 /nfs/dbraw/zinc/92/40/55/1021924055.db2.gz YMGZLOMNRLWZPM-NRFANRHFSA-N 0 0 397.494 3.556 20 10 GHCDRN CCC[C@]1(CO)CCCN1C(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001156399860 1033018663 /nfs/dbraw/zinc/01/86/63/1033018663.db2.gz HDHNASYEMLSYPG-HSZRJFAPSA-N 0 0 384.520 3.682 20 10 GHCDRN CN1C[C@H](c2ccccc2)C2(CC[NH+](Cc3c([O-])cc(F)cc3F)CC2)C1=O ZINC001140580980 1022000039 /nfs/dbraw/zinc/00/00/39/1022000039.db2.gz OKVKTHMHUJIHFK-GOSISDBHSA-N 0 0 386.442 3.508 20 10 GHCDRN CCOc1ccc(N2CCN(Cc3ccc(OC(F)F)c(O)c3)CC2)cc1 ZINC001140631355 1022114050 /nfs/dbraw/zinc/11/40/50/1022114050.db2.gz YCKPZMQJEMGHGS-UHFFFAOYSA-N 0 0 378.419 3.715 20 10 GHCDRN Cc1cccc(C)c1N1CCN(Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140667598 1022219778 /nfs/dbraw/zinc/21/97/78/1022219778.db2.gz ZRUMMGYYWUTAKU-UHFFFAOYSA-N 0 0 383.511 3.601 20 10 GHCDRN O=C(NCC1(CF)CCOCC1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000835734788 1022337271 /nfs/dbraw/zinc/33/72/71/1022337271.db2.gz RRIGOQZAJXTFOE-UHFFFAOYSA-N 0 0 398.438 3.923 20 10 GHCDRN CC(C)COC[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccco1 ZINC000725867334 1022390894 /nfs/dbraw/zinc/39/08/94/1022390894.db2.gz IGMLAWZCWDTULF-KRWDZBQOSA-N 0 0 377.460 3.698 20 10 GHCDRN O=S1(=O)CCN(Cc2c3c(ccc2O)oc2c3CCCC2)[C@H]2CCCC[C@H]21 ZINC000754012885 1022424407 /nfs/dbraw/zinc/42/44/07/1022424407.db2.gz LZFRSTNQIDZYRI-OXJNMPFZSA-N 0 0 389.517 3.559 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000754294344 1022590023 /nfs/dbraw/zinc/59/00/23/1022590023.db2.gz TYCPTJFXTKVWEF-PZJWPPBQSA-N 0 0 385.483 3.920 20 10 GHCDRN O=C(Cc1cc(F)ccc1F)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000754539805 1022760209 /nfs/dbraw/zinc/76/02/09/1022760209.db2.gz IREIPJNUIVUQFY-UHFFFAOYSA-N 0 0 377.346 3.921 20 10 GHCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[C@H]1CC(c2ccccc2)=NO1 ZINC000754543051 1022760354 /nfs/dbraw/zinc/76/03/54/1022760354.db2.gz LIZZBMGYRJWGTB-OAQYLSRUSA-N 0 0 396.402 3.594 20 10 GHCDRN Cc1ccc(F)c(CCNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000836255893 1022780287 /nfs/dbraw/zinc/78/02/87/1022780287.db2.gz KJLKDVYBSPLAAG-QGZVFWFLSA-N 0 0 385.483 3.574 20 10 GHCDRN CN(C)c1ccc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c(Cl)c1 ZINC001140922655 1022891171 /nfs/dbraw/zinc/89/11/71/1022891171.db2.gz YFEPPAVSZKAMRQ-MAUKXSAKSA-N 0 0 379.932 3.847 20 10 GHCDRN CN(C)c1ccc(CN2CCOC[C@@H]2CCC(=O)OC(C)(C)C)c(Cl)c1 ZINC001140925879 1022902343 /nfs/dbraw/zinc/90/23/43/1022902343.db2.gz GPPSLVIBNXUCLN-KRWDZBQOSA-N 0 0 382.932 3.729 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)[C@](C)(O)c2cccc(C(F)(F)F)c2)cc1 ZINC000754834748 1022922334 /nfs/dbraw/zinc/92/23/34/1022922334.db2.gz FHFDMVRNYFGTND-LJQANCHMSA-N 0 0 380.410 3.638 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(OC(F)F)c(F)c2)c1 ZINC000836489725 1023026075 /nfs/dbraw/zinc/02/60/75/1023026075.db2.gz WDCKRJXMQWBJRE-JTQLQIEISA-N 0 0 384.354 3.702 20 10 GHCDRN Nc1ccc(OCCCOc2ccc(Nc3cnc4ccnn4c3)cc2)cc1 ZINC001204814410 1033101722 /nfs/dbraw/zinc/10/17/22/1033101722.db2.gz UQBVRPWDJPQGAX-UHFFFAOYSA-N 0 0 375.432 3.903 20 10 GHCDRN C[C@@]1(CNC(=O)NCc2cc(Br)ccc2O)CC1(Cl)Cl ZINC000836587817 1023150567 /nfs/dbraw/zinc/15/05/67/1023150567.db2.gz CFMUTAPRBWYQJN-LBPRGKRZSA-N 0 0 382.085 3.538 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)CSc1nc(-c2ccccc2)no1 ZINC000755344280 1023207104 /nfs/dbraw/zinc/20/71/04/1023207104.db2.gz NPKJDYLGQHMIEX-UHFFFAOYSA-N 0 0 382.489 3.520 20 10 GHCDRN Cc1c(Cl)cncc1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000836707212 1023282669 /nfs/dbraw/zinc/28/26/69/1023282669.db2.gz OLQNYYPNFKKGDE-UHFFFAOYSA-N 0 0 376.913 3.918 20 10 GHCDRN COc1cc(O)c(CN2CCc3cc(Br)ccc3C2)c(OC)c1 ZINC001141032010 1023298377 /nfs/dbraw/zinc/29/83/77/1023298377.db2.gz PZWNZZGDPYBTPI-UHFFFAOYSA-N 0 0 378.266 3.730 20 10 GHCDRN COc1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cc1NC(C)=O ZINC000755986288 1023467906 /nfs/dbraw/zinc/46/79/06/1023467906.db2.gz QUGIXSMQSNRKIT-UHFFFAOYSA-N 0 0 392.477 3.592 20 10 GHCDRN C[C@@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1cc(Br)cc(F)c1[O-] ZINC000756078280 1023512748 /nfs/dbraw/zinc/51/27/48/1023512748.db2.gz KVYQKOKEJSOKNO-VHSXEESVSA-N 0 0 391.281 3.858 20 10 GHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000756101883 1023522231 /nfs/dbraw/zinc/52/22/31/1023522231.db2.gz PNNWCAQTFNHGOP-UHFFFAOYSA-N 0 0 398.265 3.762 20 10 GHCDRN CC[C@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCO1 ZINC000756107873 1023524447 /nfs/dbraw/zinc/52/44/47/1023524447.db2.gz FKHHQMSPKUDFSL-WBAXXEDZSA-N 0 0 397.466 3.514 20 10 GHCDRN Cc1cc(C(=O)N2CCOC[C@H]2c2ccc(F)cc2)c(C)n1-c1ccccn1 ZINC000836975335 1023536197 /nfs/dbraw/zinc/53/61/97/1023536197.db2.gz ATEOMWVVGDLWCH-FQEVSTJZSA-N 0 0 379.435 3.842 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](c2cccc(OC)c2)N2CCCC2)c1 ZINC000756350956 1023601659 /nfs/dbraw/zinc/60/16/59/1023601659.db2.gz HVTLRYZFIFAPSC-IERDGZPVSA-N 0 0 398.503 3.675 20 10 GHCDRN CCOc1cc2c(cc1C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-])O[C@@H](C)C2 ZINC000756361267 1023606390 /nfs/dbraw/zinc/60/63/90/1023606390.db2.gz JRHSZRGVUPLMNK-UONOGXRCSA-N 0 0 385.460 3.752 20 10 GHCDRN C[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)c1cc(Br)cc(Cl)c1[O-] ZINC000756377312 1023619335 /nfs/dbraw/zinc/61/93/35/1023619335.db2.gz SYCCHNILXXQIII-SECBINFHSA-N 0 0 383.673 3.758 20 10 GHCDRN C[C@@H]([NH2+]CCNC(=O)c1ccc(F)cc1)c1cc(Br)cc(F)c1[O-] ZINC000756455313 1023660880 /nfs/dbraw/zinc/66/08/80/1023660880.db2.gz QUMRWQYKAMFGSW-SNVBAGLBSA-N 0 0 399.235 3.514 20 10 GHCDRN C[C@H]([NH2+]C1CCN(C(=O)CCc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756475780 1023674520 /nfs/dbraw/zinc/67/45/20/1023674520.db2.gz KOVSAVWCTXTUPX-INIZCTEOSA-N 0 0 397.475 3.575 20 10 GHCDRN C[C@H]([NH2+]CCN1CCOC(C)(C)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000756544614 1023708026 /nfs/dbraw/zinc/70/80/26/1023708026.db2.gz KNJZBKMBUSVVGV-NSHDSACASA-N 0 0 391.737 3.570 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756563823 1023714686 /nfs/dbraw/zinc/71/46/86/1023714686.db2.gz NPIUZSYBROBXBH-KBPBESRZSA-N 0 0 391.418 3.894 20 10 GHCDRN Cc1nc(CN2CCC(C[NH2+][C@@H](C)c3cc(F)cc(F)c3[O-])CC2)oc1C ZINC000756568445 1023715331 /nfs/dbraw/zinc/71/53/31/1023715331.db2.gz FEKRAROQEUFDLC-ZDUSSCGKSA-N 0 0 379.451 3.838 20 10 GHCDRN C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1cc(Br)cc(Br)c1[O-] ZINC000756570666 1023716442 /nfs/dbraw/zinc/71/64/42/1023716442.db2.gz XEPITVUTNLJNEL-XLKFXECMSA-N 0 0 393.119 3.729 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC000756592746 1023726862 /nfs/dbraw/zinc/72/68/62/1023726862.db2.gz VBIXYCFXBKLJSF-BMLIUANNSA-N 0 0 384.259 3.870 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCCN(C)[C@H]2c2cccs2)c1 ZINC000756596986 1023728503 /nfs/dbraw/zinc/72/85/03/1023728503.db2.gz IMPHQEKOFJYABC-YYFZDKIDSA-N 0 0 388.533 3.974 20 10 GHCDRN C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756639656 1023749326 /nfs/dbraw/zinc/74/93/26/1023749326.db2.gz BLIFTMLMUNLASB-CKYFFXLPSA-N 0 0 378.694 3.653 20 10 GHCDRN COC1CCN(CC[NH2+][C@@H](C)c2cc(Br)cc(Cl)c2[O-])CC1 ZINC000756641488 1023750736 /nfs/dbraw/zinc/75/07/36/1023750736.db2.gz IKWMUNHAEKAGCV-NSHDSACASA-N 0 0 391.737 3.570 20 10 GHCDRN COc1ccc(CN(C)c2ccc3c(c2)OCO3)c(Br)c1OC ZINC000756653379 1023755460 /nfs/dbraw/zinc/75/54/60/1023755460.db2.gz IIEJXWZIUAHZRN-UHFFFAOYSA-N 0 0 380.238 3.831 20 10 GHCDRN CCOC(=O)Nc1ccc2c(CN(C)c3ccc4c(c3)OCO4)cc(=O)oc2c1 ZINC000756653425 1023755796 /nfs/dbraw/zinc/75/57/96/1023755796.db2.gz JCQJZPCFZSRJME-UHFFFAOYSA-N 0 0 396.399 3.727 20 10 GHCDRN C[C@@H]([NH2+]CCOc1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756682961 1023772795 /nfs/dbraw/zinc/77/27/95/1023772795.db2.gz QVDAMOCLXCJXEM-LLVKDONJSA-N 0 0 381.226 3.793 20 10 GHCDRN C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756779171 1023812158 /nfs/dbraw/zinc/81/21/58/1023812158.db2.gz QPWCATQFICOFLJ-WOVYWWTOSA-N 0 0 377.391 3.675 20 10 GHCDRN C[C@H]1C[C@@H](Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)c2c1c(F)ccc2O ZINC000756802184 1023819508 /nfs/dbraw/zinc/81/95/08/1023819508.db2.gz FURUKCORPZRTJP-XHDPSFHLSA-N 0 0 389.858 3.781 20 10 GHCDRN C[C@@H]([NH2+][C@@H]1CCc2nc(-c3ccccc3)ncc2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756819018 1023826279 /nfs/dbraw/zinc/82/62/79/1023826279.db2.gz BCWOBGPQHUDPRK-RHSMWYFYSA-N 0 0 390.443 3.966 20 10 GHCDRN C[C@@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccc(Br)cc1O ZINC000756832803 1023828416 /nfs/dbraw/zinc/82/84/16/1023828416.db2.gz SZXZUAYPFPETTE-SNVBAGLBSA-N 0 0 376.254 3.518 20 10 GHCDRN COc1ccc(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1NS(C)(=O)=O ZINC000756869392 1023841259 /nfs/dbraw/zinc/84/12/59/1023841259.db2.gz VJKXQAPNQMRQAK-QMTHXVAHSA-N 0 0 380.441 3.572 20 10 GHCDRN C[C@@H](Nc1cccc(N2C(=O)CN(C)C2=O)c1)c1cc2c(cc1O)CCCC2 ZINC000756892621 1023849290 /nfs/dbraw/zinc/84/92/90/1023849290.db2.gz JKGGZJIKMDCUJT-CQSZACIVSA-N 0 0 379.460 3.843 20 10 GHCDRN Cc1cc(C(=O)N(C)CC[C@@H](C)O)c(C)n1-c1ccc(Br)cc1 ZINC000756961699 1023886926 /nfs/dbraw/zinc/88/69/26/1023886926.db2.gz UERSPVQDORFQPB-CYBMUJFWSA-N 0 0 379.298 3.700 20 10 GHCDRN [O-]c1c(F)cccc1C[NH+]1CCN(c2ccc(C(F)(F)F)c(Cl)n2)CC1 ZINC001138127943 1024175312 /nfs/dbraw/zinc/17/53/12/1024175312.db2.gz YBJICKJZOAKAEU-UHFFFAOYSA-N 0 0 389.780 3.921 20 10 GHCDRN CCCNC(=O)c1ccccc1OC1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC001138130705 1024186199 /nfs/dbraw/zinc/18/61/99/1024186199.db2.gz GCLKSZBZBXWHHB-UHFFFAOYSA-N 0 0 386.467 3.715 20 10 GHCDRN Cc1cc(C(=O)NCc2nc(C(F)(F)F)no2)c(C)n1-c1cccc(C)c1 ZINC001138143386 1024223514 /nfs/dbraw/zinc/22/35/14/1024223514.db2.gz JWYVIWRCOGLXTN-UHFFFAOYSA-N 0 0 378.354 3.734 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@]2(C)CCO[C@@H]2C2CC2)ccc1C ZINC001138168208 1024287524 /nfs/dbraw/zinc/28/75/24/1024287524.db2.gz AHMHLYUPZJOVAA-FYYLOGMGSA-N 0 0 380.488 3.902 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](C)C(=O)Nc2cccnc2C)c(C)n1-c1ccccc1C ZINC000837251647 1024291985 /nfs/dbraw/zinc/29/19/85/1024291985.db2.gz WYNPDIBBCJNLCZ-KRWDZBQOSA-N 0 0 390.487 3.863 20 10 GHCDRN Cc1cc(C(=O)N2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1 ZINC000837253960 1024292439 /nfs/dbraw/zinc/29/24/39/1024292439.db2.gz XMCYHZOGQAPUQH-JOCHJYFZSA-N 0 0 383.492 3.683 20 10 GHCDRN Cc1c(CN2CCO[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)c2ccccc2n1C ZINC001138254227 1024475689 /nfs/dbraw/zinc/47/56/89/1024475689.db2.gz UDZRTXPBIZHWMM-LEWJYISDSA-N 0 0 399.535 3.697 20 10 GHCDRN Cc1cc(C(=O)COC(=O)C[C@H](C)n2cccc2)c(C)n1-c1ccc(F)cn1 ZINC000837503637 1024512672 /nfs/dbraw/zinc/51/26/72/1024512672.db2.gz ZABUGWLGXWXYHM-AWEZNQCLSA-N 0 0 383.423 3.807 20 10 GHCDRN C[C@@]1(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC=CCC1 ZINC000837665330 1024616656 /nfs/dbraw/zinc/61/66/56/1024616656.db2.gz GREUBLUUSVGWJN-LJQANCHMSA-N 0 0 397.441 3.840 20 10 GHCDRN Cc1cc(C(=O)NO[C@H](CO)C(C)C)c(C)n1-c1cccc(Br)c1 ZINC001141345304 1024643581 /nfs/dbraw/zinc/64/35/81/1024643581.db2.gz FSLKNCJNOGKGFX-QGZVFWFLSA-N 0 0 395.297 3.535 20 10 GHCDRN Cc1ccccc1[C@@H](C)CC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837706793 1024650749 /nfs/dbraw/zinc/65/07/49/1024650749.db2.gz HXNAXWBYVLFXIV-INIZCTEOSA-N 0 0 388.458 3.920 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cccc(Cl)c1F ZINC000837707868 1024651733 /nfs/dbraw/zinc/65/17/33/1024651733.db2.gz OJWBKURGIREEII-UHFFFAOYSA-N 0 0 384.785 3.524 20 10 GHCDRN CCC[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CCCC1 ZINC000837712905 1024656198 /nfs/dbraw/zinc/65/61/98/1024656198.db2.gz FPNANSBFBKAFQU-FQEVSTJZSA-N 0 0 391.531 3.945 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C3CCCC3)C(F)(F)F)C2)cc1 ZINC001203110013 1024858477 /nfs/dbraw/zinc/85/84/77/1024858477.db2.gz SMHOZFFWKPYVNK-WMLDXEAASA-N 0 0 385.430 3.694 20 10 GHCDRN Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2O)c(C)n1-c1cccc(Br)c1 ZINC001138491265 1024923845 /nfs/dbraw/zinc/92/38/45/1024923845.db2.gz XGALFNPFJFENPY-QZTJIDSGSA-N 0 0 391.309 3.890 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)N[C@H]([C@H](CO)C3CC3)C3CC3)cc2)CC1 ZINC000838375079 1025092438 /nfs/dbraw/zinc/09/24/38/1025092438.db2.gz CESXTTSEXWKAAL-YADHBBJMSA-N 0 0 385.552 3.519 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1F ZINC000838392803 1025109043 /nfs/dbraw/zinc/10/90/43/1025109043.db2.gz XJOMLPGUJUTIBJ-FBBABVLZSA-N 0 0 391.531 3.897 20 10 GHCDRN COCCOc1ccc(N2CCN(C(=O)Nc3cc(C)cc(C)c3)CC2)cc1 ZINC001202847828 1025155319 /nfs/dbraw/zinc/15/53/19/1025155319.db2.gz KZAQRZPEWFRMLI-UHFFFAOYSA-N 0 0 383.492 3.683 20 10 GHCDRN CC(=O)c1ccc(N2CCN(Cc3cc(F)c(N(C)C)cc3F)CC2)c(F)c1 ZINC001205123170 1033264963 /nfs/dbraw/zinc/26/49/63/1033264963.db2.gz JGZBPALAEDUQGJ-UHFFFAOYSA-N 0 0 391.437 3.695 20 10 GHCDRN C[C@H](NC(=O)N(C)[C@@H](c1ncc[nH]1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000838559662 1025209576 /nfs/dbraw/zinc/20/95/76/1025209576.db2.gz NHEWKIOGANMYIW-OXJNMPFZSA-N 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/nfs/dbraw/zinc/27/95/87/1025279587.db2.gz OSXBHVYHOOAKMX-PBHICJAKSA-N 0 0 387.307 3.667 20 10 GHCDRN CCOc1ccccc1NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838746095 1025341295 /nfs/dbraw/zinc/34/12/95/1025341295.db2.gz DYAAPFVTTBFYFQ-UHFFFAOYSA-N 0 0 391.418 3.522 20 10 GHCDRN O=C(N[C@@H]1C[C@H]1c1ccccc1F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000838759081 1025350583 /nfs/dbraw/zinc/35/05/83/1025350583.db2.gz ZLFKKJDHBSXMPP-IMFGXOCKSA-N 0 0 384.451 3.778 20 10 GHCDRN Cc1cc(F)cc(NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000838986491 1025503169 /nfs/dbraw/zinc/50/31/69/1025503169.db2.gz SEDSDPMIYKHYPO-UHFFFAOYSA-N 0 0 379.382 3.571 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CC[C@@H]1[C@H](C)Nc2ccnn2[C@H]1C ZINC001162114761 1025613304 /nfs/dbraw/zinc/61/33/04/1025613304.db2.gz POSHEHRMARBXRJ-RYLXDESZSA-N 0 0 397.567 3.776 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N(C)[C@H](C)c2cccs2)cc1 ZINC000839244827 1025752565 /nfs/dbraw/zinc/75/25/65/1025752565.db2.gz LCTMHXBQPBULSR-MRXNPFEDSA-N 0 0 387.549 3.772 20 10 GHCDRN COc1cc(C(=O)NCc2ccc3cccnc3c2O)ccc1C(F)(F)F ZINC001162612784 1025829920 /nfs/dbraw/zinc/82/99/20/1025829920.db2.gz QCTAPYUPOPTEEI-UHFFFAOYSA-N 0 0 376.334 3.898 20 10 GHCDRN COC(=O)CCCCCCNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC001141617133 1025913918 /nfs/dbraw/zinc/91/39/18/1025913918.db2.gz JFDUEPVAWBTOCR-UHFFFAOYSA-N 0 0 384.476 3.760 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCC[C@H](Sc2ccncc2)C1 ZINC001139129117 1025941402 /nfs/dbraw/zinc/94/14/02/1025941402.db2.gz NIZRBAVZZQAQBX-INIZCTEOSA-N 0 0 382.485 3.959 20 10 GHCDRN CCOc1ccc(N2CC[NH+](Cc3c([O-])ccc4c(C)cc(=O)oc43)CC2)cc1 ZINC001139133692 1025945961 /nfs/dbraw/zinc/94/59/61/1025945961.db2.gz LZNYFXRRESKQPB-UHFFFAOYSA-N 0 0 394.471 3.528 20 10 GHCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+](C)CCCCNC(=O)OC(C)(C)C ZINC001139134261 1025947828 /nfs/dbraw/zinc/94/78/28/1025947828.db2.gz ZGKVBCONUTWAHW-UHFFFAOYSA-N 0 0 390.480 3.544 20 10 GHCDRN CSc1cc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)ccc1Cl ZINC000839485847 1025976974 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3.748 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cnc(-c2ccccn2)s1 ZINC000839918149 1026345602 /nfs/dbraw/zinc/34/56/02/1026345602.db2.gz JZMWARYALCBYIM-OAHLLOKOSA-N 0 0 380.517 3.941 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc(-c2ccccn2)[nH]c1=O ZINC000839917846 1026345709 /nfs/dbraw/zinc/34/57/09/1026345709.db2.gz IHHODBJEOPFXAN-INIZCTEOSA-N 0 0 390.487 3.585 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCc1nc(C2CCCC2)no1 ZINC000839920676 1026347466 /nfs/dbraw/zinc/34/74/66/1026347466.db2.gz SDFZDIHAQQWHCT-MRXNPFEDSA-N 0 0 384.524 3.782 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2ccccc2N2CCOCC2)C1 ZINC001139508210 1026362359 /nfs/dbraw/zinc/36/23/59/1026362359.db2.gz UVWOJCHCMMESDI-UHFFFAOYSA-N 0 0 391.515 3.582 20 10 GHCDRN COc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3C(F)F)CC2)c(OC)c1 ZINC001163952988 1026370935 /nfs/dbraw/zinc/37/09/35/1026370935.db2.gz QBNILYVNNIIONL-UHFFFAOYSA-N 0 0 393.390 3.876 20 10 GHCDRN CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001164255394 1026466062 /nfs/dbraw/zinc/46/60/62/1026466062.db2.gz HPBYWPJAJWICHD-INIZCTEOSA-N 0 0 380.383 3.573 20 10 GHCDRN Cc1cc(C[NH+]2CCC3(CC2)C(=O)N(C)[C@@H]3c2ccccc2)ccc1N(C)C ZINC001139672390 1026527384 /nfs/dbraw/zinc/52/73/84/1026527384.db2.gz WDXOQTMYLSKJFL-JOCHJYFZSA-N 0 0 377.532 3.857 20 10 GHCDRN O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001139682780 1026537308 /nfs/dbraw/zinc/53/73/08/1026537308.db2.gz CCWLCPNGZDXQDS-JOCHJYFZSA-N 0 0 384.426 3.571 20 10 GHCDRN O=C1N(CC2CC2)c2ccccc2C12CC[NH+](Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139682093 1026537852 /nfs/dbraw/zinc/53/78/52/1026537852.db2.gz OKAXFZHOLHQJGH-UHFFFAOYSA-N 0 0 398.453 3.961 20 10 GHCDRN FC(F)(F)Oc1ccc(N2CCN(Cc3cnc4cccnc4c3)CC2)cc1 ZINC001139744789 1026583912 /nfs/dbraw/zinc/58/39/12/1026583912.db2.gz SPJUVNIAZRMXMP-UHFFFAOYSA-N 0 0 388.393 3.851 20 10 GHCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCN(C)C(=O)C(C)C ZINC001165275053 1026689821 /nfs/dbraw/zinc/68/98/21/1026689821.db2.gz HUSXSMVAYJDMNZ-UHFFFAOYSA-N 0 0 375.494 3.505 20 10 GHCDRN Cc1cccc(COCc2cnc3n2CCN(Cc2cc(F)ccc2O)[C@@H]3C)n1 ZINC001140054442 1026834139 /nfs/dbraw/zinc/83/41/39/1026834139.db2.gz QLBRWSHTEJSHOB-MRXNPFEDSA-N 0 0 396.466 3.725 20 10 GHCDRN Oc1ccc(F)cc1CN1CCN(Cc2ccc(Br)cc2)CC1 ZINC001140055883 1026835729 /nfs/dbraw/zinc/83/57/29/1026835729.db2.gz ZFPDYUWADGWPDD-UHFFFAOYSA-N 0 0 379.273 3.612 20 10 GHCDRN Oc1cccc(Br)c1CN1CCN(c2noc3ccccc32)CC1 ZINC001140098803 1026874563 /nfs/dbraw/zinc/87/45/63/1026874563.db2.gz LUICZTXKZXPNOT-UHFFFAOYSA-N 0 0 388.265 3.618 20 10 GHCDRN CCOC[C@H]1CN(Cc2c(O)cccc2Br)Cc2nn(CC)cc21 ZINC001140099720 1026878381 /nfs/dbraw/zinc/87/83/81/1026878381.db2.gz QYUXRLMCCQGZBU-CYBMUJFWSA-N 0 0 394.313 3.507 20 10 GHCDRN Oc1cccc(Br)c1CN1CCN(c2ccc(Cl)cn2)CC1 ZINC001140101105 1026879163 /nfs/dbraw/zinc/87/91/63/1026879163.db2.gz KZMPVDUMKYBVBC-UHFFFAOYSA-N 0 0 382.689 3.525 20 10 GHCDRN O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CC[C@@H]1C1CC1 ZINC000834314224 1026922381 /nfs/dbraw/zinc/92/23/81/1026922381.db2.gz BSHQHQTYUGRCRC-XDPMZMSMSA-N 0 0 392.571 3.740 20 10 GHCDRN Cc1cc(C(=O)Cn2cncc(F)c2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC001166197118 1026939589 /nfs/dbraw/zinc/93/95/89/1026939589.db2.gz HEVXYXPNARDLBE-UHFFFAOYSA-N 0 0 393.340 3.692 20 10 GHCDRN COC(=O)c1cc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1N(C)C ZINC001166714715 1027065231 /nfs/dbraw/zinc/06/52/31/1027065231.db2.gz WWZVDTBAKAYFDY-UHFFFAOYSA-N 0 0 397.258 3.864 20 10 GHCDRN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CC[C@@H](CC(C)(C)C)C2)c1 ZINC000840149093 1027280259 /nfs/dbraw/zinc/28/02/59/1027280259.db2.gz DWCQNOPWNCVEMR-SFHVURJKSA-N 0 0 388.552 3.685 20 10 GHCDRN Nc1c(Cl)c(Cl)c(Nc2ccnnc2)c2c1C(=O)c1ccccc1C2=O ZINC001209961665 1027293327 /nfs/dbraw/zinc/29/33/27/1027293327.db2.gz NADVOVAUAYWGHK-UHFFFAOYSA-N 0 0 385.210 3.885 20 10 GHCDRN C[C@H]1CN(CCSc2ncc(-c3ccccc3)n2CC(F)(F)F)CCO1 ZINC000840193812 1027333133 /nfs/dbraw/zinc/33/31/33/1027333133.db2.gz QPJKYBDNRYRUAM-AWEZNQCLSA-N 0 0 385.455 3.925 20 10 GHCDRN COc1cccc(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c1OC ZINC001203455837 1027350768 /nfs/dbraw/zinc/35/07/68/1027350768.db2.gz QBHSYTGGGSNOGF-UHFFFAOYSA-N 0 0 396.409 3.925 20 10 GHCDRN C[C@@H](O)[C@@H]1CCN(c2cc(NCc3ccc(N4CCC(C)CC4)cc3)ncn2)C1 ZINC000840258701 1027389011 /nfs/dbraw/zinc/38/90/11/1027389011.db2.gz GUMXWFZROUGEBB-UYAOXDASSA-N 0 0 395.551 3.532 20 10 GHCDRN COc1cccc(CNC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1OC ZINC000840262682 1027391251 /nfs/dbraw/zinc/39/12/51/1027391251.db2.gz FUGBTDLSICGAME-INIZCTEOSA-N 0 0 385.508 3.509 20 10 GHCDRN [O-]c1c(Br)cc(Br)cc1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001203564529 1027436900 /nfs/dbraw/zinc/43/69/00/1027436900.db2.gz MBYKFFZXLOVYSQ-AWEZNQCLSA-N 0 0 391.103 3.672 20 10 GHCDRN [O-]c1c(Br)cc(Br)cc1C[N@@H+]1CCCC2(COC2)C1 ZINC001203564743 1027437070 /nfs/dbraw/zinc/43/70/70/1027437070.db2.gz OZTDJCLYORFXJO-UHFFFAOYSA-N 0 0 391.103 3.530 20 10 GHCDRN CC(C)N(C)S(=O)(=O)c1ccc(NCc2cc(Cl)cc(F)c2O)cc1 ZINC001203610563 1027475604 /nfs/dbraw/zinc/47/56/04/1027475604.db2.gz FDNHNODMDAMHJF-UHFFFAOYSA-N 0 0 386.876 3.826 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000840356270 1027476301 /nfs/dbraw/zinc/47/63/01/1027476301.db2.gz GHCFPZDPBHIRPG-YLJYHZDGSA-N 0 0 397.567 3.626 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000840386699 1027503512 /nfs/dbraw/zinc/50/35/12/1027503512.db2.gz GVGKKQBMZQRFBN-LRXVAGHRSA-N 0 0 396.535 3.607 20 10 GHCDRN CC(C)(C)OC(=O)NC1CC2(C1)CN(Cc1cc(Br)ccc1O)C2 ZINC001203645791 1027503710 /nfs/dbraw/zinc/50/37/10/1027503710.db2.gz RZYXFODNUAHKMU-UHFFFAOYSA-N 0 0 397.313 3.644 20 10 GHCDRN CCOc1ccc(N2CCN(Cc3cc(Br)ccc3O)CC2)cc1 ZINC001203649705 1027504781 /nfs/dbraw/zinc/50/47/81/1027504781.db2.gz BPHVHVLJRAULBA-UHFFFAOYSA-N 0 0 391.309 3.876 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(Cc1ccccc1)C[C@H](C)O ZINC000840478348 1027562293 /nfs/dbraw/zinc/56/22/93/1027562293.db2.gz GJXQFWWHPOBQGF-MOPGFXCFSA-N 0 0 383.536 3.585 20 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CCOC(=O)c1snnc1-c1nc(-c2cccc(F)c2C(F)(F)F)no1 ZINC001214859756 1028941788 /nfs/dbraw/zinc/94/17/88/1028941788.db2.gz VZRBFNGYZNOVRY-UHFFFAOYSA-N 0 0 388.302 3.590 20 10 GHCDRN COc1ccc(C[NH2+][C@H](Cc2cccc(Br)c2)C(=O)[O-])cc1C ZINC000841803393 1028950563 /nfs/dbraw/zinc/95/05/63/1028950563.db2.gz IIZUPODWAGEQQR-MRXNPFEDSA-N 0 0 378.266 3.552 20 10 GHCDRN Nc1ccc2c(c1Nc1ccc(CO)c(F)c1F)C(=O)c1ccccc1C2=O ZINC001215041509 1029007613 /nfs/dbraw/zinc/00/76/13/1029007613.db2.gz YZQYEOJOMUZCIM-UHFFFAOYSA-N 0 0 380.350 3.558 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cc(F)c(F)cc3[O-])C2)C1 ZINC001142508589 1029012582 /nfs/dbraw/zinc/01/25/82/1029012582.db2.gz DKUCRKGQJQJJRG-FQEVSTJZSA-N 0 0 382.451 3.893 20 10 GHCDRN CCN(CC)c1ccc(CNc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 ZINC001461485129 1069571369 /nfs/dbraw/zinc/57/13/69/1069571369.db2.gz LUKSHGHXVRMDCB-UHFFFAOYSA-N 0 0 375.538 3.704 20 10 GHCDRN CC(C)[C@@H]1C[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)CCO1 ZINC001142713480 1029313892 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Cc1ccc(CC2CN(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000853487547 879056052 /nfs/dbraw/zinc/05/60/52/879056052.db2.gz QKPULFKVTVCJAB-IBGZPJMESA-N 0 0 393.531 3.777 20 10 GHCDRN CCOc1cccc([C@H](C)NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000068843336 879088074 /nfs/dbraw/zinc/08/80/74/879088074.db2.gz DBDCFVCMNPQUPE-SFHVURJKSA-N 0 0 397.519 3.825 20 10 GHCDRN C[NH+](C)Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCc2ccccc2-3)cc1 ZINC000789728775 879202043 /nfs/dbraw/zinc/20/20/43/879202043.db2.gz XJUGCEBRNODKDC-UHFFFAOYSA-N 0 0 399.541 3.771 20 10 GHCDRN CCc1nc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)sc1C ZINC000789759128 879238313 /nfs/dbraw/zinc/23/83/13/879238313.db2.gz XGBDTGSZDMWZOV-UHFFFAOYSA-N 0 0 386.521 3.901 20 10 GHCDRN Cc1ccc(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c(O)c1O ZINC000180714950 879244336 /nfs/dbraw/zinc/24/43/36/879244336.db2.gz DRHOZGPUQJXSPT-HNNXBMFYSA-N 0 0 381.350 3.639 20 10 GHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(C)n(-c3cccc(F)c3)n2)c1 ZINC000180767012 879295515 /nfs/dbraw/zinc/29/55/15/879295515.db2.gz BJMOSTCMXBZGQM-ZDUSSCGKSA-N 0 0 384.411 3.917 20 10 GHCDRN CCS[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000853822385 879309938 /nfs/dbraw/zinc/30/99/38/879309938.db2.gz NDKRIUNHPGVQHO-FXAWDEMLSA-N 0 0 391.581 3.511 20 10 GHCDRN COc1ccc2c(c1)[C@@H](C(=O)NCc1ccc(N3CCSCC3)cc1)CC2 ZINC000761577467 879326971 /nfs/dbraw/zinc/32/69/71/879326971.db2.gz HRWFLYWVMOAYID-FQEVSTJZSA-N 0 0 382.529 3.595 20 10 GHCDRN Cc1ccc(CCCNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000789910779 879328961 /nfs/dbraw/zinc/32/89/61/879328961.db2.gz LLGJJSFMDCPZOV-UHFFFAOYSA-N 0 0 395.547 3.914 20 10 GHCDRN O=C(CSc1ncc(-c2ccccc2)n1CC(F)(F)F)c1cnccn1 ZINC000789915080 879331349 /nfs/dbraw/zinc/33/13/49/879331349.db2.gz HCSAWERTFFHXAO-UHFFFAOYSA-N 0 0 378.379 3.877 20 10 GHCDRN Cc1cc(-c2nc(CCNC(=O)OC(C)(C)C)no2)c(C)n1-c1ccccn1 ZINC000761583929 879335576 /nfs/dbraw/zinc/33/55/76/879335576.db2.gz RMLUVRRICZYPGU-UHFFFAOYSA-N 0 0 383.452 3.606 20 10 GHCDRN Cc1cnc(NCc2ccc(N3CCC(O)CC3)cc2)c(Br)c1 ZINC000853955192 879398143 /nfs/dbraw/zinc/39/81/43/879398143.db2.gz JIQFMZLYLITRMD-UHFFFAOYSA-N 0 0 376.298 3.726 20 10 GHCDRN O=C(CCc1ccc2[nH]ccc2c1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000180905795 879449578 /nfs/dbraw/zinc/44/95/78/879449578.db2.gz QOYVMZPNGPUPSA-UHFFFAOYSA-N 0 0 391.515 3.626 20 10 GHCDRN COCCN(C)c1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cn1 ZINC000790106885 879471206 /nfs/dbraw/zinc/47/12/06/879471206.db2.gz ZGOLCZOCYINARW-FOWTUZBSSA-N 0 0 391.562 3.698 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H](Oc4ccncc4)C3)c2C)cc1 ZINC000790155303 879496453 /nfs/dbraw/zinc/49/64/53/879496453.db2.gz QEMKMZDZTDFFJU-OAQYLSRUSA-N 0 0 391.471 3.791 20 10 GHCDRN C[C@H](Cn1ncc2ccccc21)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000790209146 879529071 /nfs/dbraw/zinc/52/90/71/879529071.db2.gz LUGOIEISUJVWCM-QGZVFWFLSA-N 0 0 376.504 3.930 20 10 GHCDRN C[C@H](NC(=O)NCc1ccc(C2CC2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000790248725 879547668 /nfs/dbraw/zinc/54/76/68/879547668.db2.gz CKELBMVFDCPWKB-KRWDZBQOSA-N 0 0 379.504 3.961 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)N2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000790227392 879558669 /nfs/dbraw/zinc/55/86/69/879558669.db2.gz IJEQMVZMOXIASE-QFIPXVFZSA-N 0 0 397.519 3.522 20 10 GHCDRN COC[C@H](NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C)[C@@H]1CCCO1 ZINC000790277957 879562679 /nfs/dbraw/zinc/56/26/79/879562679.db2.gz PAKLMZNENJMGIK-OALUTQOASA-N 0 0 376.884 3.671 20 10 GHCDRN COC[C@@H](NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C)[C@H]1CCCO1 ZINC000790272873 879584054 /nfs/dbraw/zinc/58/40/54/879584054.db2.gz HVRJSUIIYHEJEO-RTBURBONSA-N 0 0 376.884 3.671 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)Nc1ccc(F)cc1Cl ZINC000854178998 879613993 /nfs/dbraw/zinc/61/39/93/879613993.db2.gz YHTUSJWFZMUGQI-UHFFFAOYSA-N 0 0 377.847 3.762 20 10 GHCDRN CCOc1cccc(CN2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1O ZINC000093865438 912481598 /nfs/dbraw/zinc/48/15/98/912481598.db2.gz ZAOBVJPVINHAGW-SFHVURJKSA-N 0 0 379.403 3.966 20 10 GHCDRN COCCCOc1ccccc1NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854302367 879706041 /nfs/dbraw/zinc/70/60/41/879706041.db2.gz ZRFSRQAZUCPGOZ-QGZVFWFLSA-N 0 0 399.491 3.511 20 10 GHCDRN COCC1(C)CN(C(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)C1 ZINC000790434891 879723712 /nfs/dbraw/zinc/72/37/12/879723712.db2.gz GNXFPTJTDKKTMV-UHFFFAOYSA-N 0 0 391.309 3.965 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)c3c(Cl)cnn3C)cc2Cl)C1 ZINC000854344911 879742993 /nfs/dbraw/zinc/74/29/93/879742993.db2.gz RYDJTSYZSJNLES-GFCCVEGCSA-N 0 0 381.307 3.893 20 10 GHCDRN C[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000790559459 879816989 /nfs/dbraw/zinc/81/69/89/879816989.db2.gz NBWHQJLDZJTVMR-CYBMUJFWSA-N 0 0 394.402 3.980 20 10 GHCDRN COC(=O)c1ccc(/C=C2\SC(=S)N(C3CC3)C2=O)c(Br)c1 ZINC000790591226 879848569 /nfs/dbraw/zinc/84/85/69/879848569.db2.gz PGYHPMFDWRCOLT-GHXNOFRVSA-N 0 0 398.303 3.599 20 10 GHCDRN COc1ccc(N2CCN(C/C(C)=C\c3cccc([N+](=O)[O-])c3)CC2)c(OC)c1 ZINC001183418695 912504041 /nfs/dbraw/zinc/50/40/41/912504041.db2.gz CMXPJWHUUDKBNZ-LGMDPLHJSA-N 0 0 397.475 3.838 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000152915759 879910589 /nfs/dbraw/zinc/91/05/89/879910589.db2.gz ISKRGHSFKRETTH-UHFFFAOYSA-N 0 0 392.459 3.845 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)NCCC3(O)CCC3)cc2Cl)C1 ZINC000790851213 880019573 /nfs/dbraw/zinc/01/95/73/880019573.db2.gz DYDDPVWFMYYKJK-OAHLLOKOSA-N 0 0 379.932 3.681 20 10 GHCDRN COc1ncc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)cc1Cl ZINC000790831629 880032781 /nfs/dbraw/zinc/03/27/81/880032781.db2.gz UFIMRCRRHKYPIA-UHFFFAOYSA-N 0 0 379.807 3.706 20 10 GHCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(C4CCC4)cc3)c2)CC1 ZINC000790947573 880093412 /nfs/dbraw/zinc/09/34/12/880093412.db2.gz SGHIZOPXSYZEML-UHFFFAOYSA-N 0 0 377.488 3.875 20 10 GHCDRN Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2c([O-])ccc(Cl)c2F)cc1 ZINC000790947651 880093532 /nfs/dbraw/zinc/09/35/32/880093532.db2.gz VLVXEJNHZDICJN-SFHVURJKSA-N 0 0 378.875 3.656 20 10 GHCDRN Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000854906231 880139215 /nfs/dbraw/zinc/13/92/15/880139215.db2.gz QYFRZVLBCZCNLR-ZWKOTPCHSA-N 0 0 386.442 3.530 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc(Nc2ccn(C)n2)cc1 ZINC000854947618 880167312 /nfs/dbraw/zinc/16/73/12/880167312.db2.gz BQCSYYPZZUYPAU-KRWDZBQOSA-N 0 0 391.519 3.899 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CC1(NC(=O)OC(C)(C)C)CC1 ZINC000854948058 880169050 /nfs/dbraw/zinc/16/90/50/880169050.db2.gz KGSDEPMSLGKLMO-MRXNPFEDSA-N 0 0 389.540 3.556 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3c(F)ccc4ccncc43)C2)cc1 ZINC000854981586 880195763 /nfs/dbraw/zinc/19/57/63/880195763.db2.gz WNZNQXIXSHHVSH-OAHLLOKOSA-N 0 0 379.435 3.639 20 10 GHCDRN CCOC(=O)c1oc2ccccc2c1COC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000772767701 880214694 /nfs/dbraw/zinc/21/46/94/880214694.db2.gz DZXITLJUXHKBGS-NTMALXAHSA-N 0 0 382.368 3.777 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000791266448 880292602 /nfs/dbraw/zinc/29/26/02/880292602.db2.gz FGRIJZHBINOFNH-GOSISDBHSA-N 0 0 389.503 3.795 20 10 GHCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1sc(C)nc1C ZINC000791245998 880305009 /nfs/dbraw/zinc/30/50/09/880305009.db2.gz IPVBXZQLHPNFPJ-UHFFFAOYSA-N 0 0 389.521 3.762 20 10 GHCDRN Cc1cc(C(=O)N2CCC3=C(CCC(=O)N3)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000855154342 880309024 /nfs/dbraw/zinc/30/90/24/880309024.db2.gz DFGCHCZWWGZFDB-UHFFFAOYSA-N 0 0 377.488 3.721 20 10 GHCDRN CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)C3=CC(=O)CS3)C2)CC1 ZINC000855167711 880324366 /nfs/dbraw/zinc/32/43/66/880324366.db2.gz MYCOVBJMVIXVDB-OAHLLOKOSA-N 0 0 394.537 3.953 20 10 GHCDRN CO[C@H](CNC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000855212340 880361594 /nfs/dbraw/zinc/36/15/94/880361594.db2.gz WXRCNNNZVZXSBM-IIBYNOLFSA-N 0 0 396.491 3.949 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)C2)cc1 ZINC000855223220 880367858 /nfs/dbraw/zinc/36/78/58/880367858.db2.gz CYGKIBMQVMCIKX-DAXOMENPSA-N 0 0 376.909 3.909 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CSC[C@H]3c3ccccc3)C2)cc1 ZINC000855222830 880368110 /nfs/dbraw/zinc/36/81/10/880368110.db2.gz BAFNFBMEEMATOH-DZFGPLHGSA-N 0 0 382.529 3.537 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ccc4c(c3)CCCCC4=O)C2)cc1 ZINC000855224062 880369311 /nfs/dbraw/zinc/36/93/11/880369311.db2.gz DWELDBLFENMCGW-GOSISDBHSA-N 0 0 378.472 3.613 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)CCCCC(=O)c3ccc(F)cc3)C2)cc1 ZINC000855228078 880372139 /nfs/dbraw/zinc/37/21/39/880372139.db2.gz UWUJSRYHVNKMLB-LJQANCHMSA-N 0 0 398.478 3.973 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Cc3nc(-c4ccccc4)cs3)C2)cc1 ZINC000855227800 880372216 /nfs/dbraw/zinc/37/22/16/880372216.db2.gz ZEOICLHGCFAQMT-KRWDZBQOSA-N 0 0 393.512 3.756 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3csc(Br)c3)C2)cc1 ZINC000855230998 880375536 /nfs/dbraw/zinc/37/55/36/880375536.db2.gz HMMCVMDKWJRBBT-GFCCVEGCSA-N 0 0 381.295 3.528 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3c(Cl)c4ccccc4n3C)C2)cc1 ZINC000855232160 880376928 /nfs/dbraw/zinc/37/69/28/880376928.db2.gz OPCUPXNJIHWVNX-CQSZACIVSA-N 0 0 383.879 3.849 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)c3cc(C)sc3Br)C2)cc1 ZINC000855234085 880378821 /nfs/dbraw/zinc/37/88/21/880378821.db2.gz RZAQWXVRSAUGNV-LBPRGKRZSA-N 0 0 395.322 3.836 20 10 GHCDRN C[C@H](NC(=O)c1ccn(C2CCCCC2)n1)c1ccc(N2CCOCC2)cc1 ZINC000791542856 880489715 /nfs/dbraw/zinc/48/97/15/880489715.db2.gz STFYBOULWVWRFD-KRWDZBQOSA-N 0 0 382.508 3.716 20 10 GHCDRN Cc1cc(CCNC(=O)[C@@H]2CCN(CC(F)(F)F)C2)c(C)n1-c1ccccc1 ZINC000792033718 880845517 /nfs/dbraw/zinc/84/55/17/880845517.db2.gz TUHJONVKFRKHSK-GOSISDBHSA-N 0 0 393.453 3.637 20 10 GHCDRN C[C@@H]1CCCN(C(=O)c2cccc(O)c2O)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC000855963078 880877968 /nfs/dbraw/zinc/87/79/68/880877968.db2.gz VZAWFDXGGYUEPZ-GDBMZVCRSA-N 0 0 392.496 3.643 20 10 GHCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2nccc(C)n2)cc1 ZINC000792159472 880949296 /nfs/dbraw/zinc/94/92/96/880949296.db2.gz WQZBDCASTGIWMX-UHFFFAOYSA-N 0 0 376.460 3.707 20 10 GHCDRN CC(C)OCc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000856208808 881042468 /nfs/dbraw/zinc/04/24/68/881042468.db2.gz VPZQXOMYPKYENN-UHFFFAOYSA-N 0 0 382.504 3.503 20 10 GHCDRN Cc1[nH]c2c(cccc2C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1C ZINC000856209965 881043491 /nfs/dbraw/zinc/04/34/91/881043491.db2.gz JSNVESSXIOXCQB-UHFFFAOYSA-N 0 0 377.488 3.676 20 10 GHCDRN O=C(C[C@@H]1CCCc2ccccc21)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856211457 881045495 /nfs/dbraw/zinc/04/54/95/881045495.db2.gz QTSIYFCBXDDEOA-FQEVSTJZSA-N 0 0 378.516 3.774 20 10 GHCDRN CC(C)[C@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(C)(C)O ZINC000792325926 881047908 /nfs/dbraw/zinc/04/79/08/881047908.db2.gz BVWJDZTVCLRMIO-SFHVURJKSA-N 0 0 382.464 3.952 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1ccc2ccccc2c1 ZINC000010907198 881093884 /nfs/dbraw/zinc/09/38/84/881093884.db2.gz KRNQIYSSMQTLKZ-UHFFFAOYSA-N 0 0 390.483 3.714 20 10 GHCDRN CCCN(Cc1ccccc1O)[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000772797568 881130049 /nfs/dbraw/zinc/13/00/49/881130049.db2.gz GAQBNFHHPACRIS-HNNXBMFYSA-N 0 0 378.480 3.876 20 10 GHCDRN Cc1csc(C[C@H]2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)C2)n1 ZINC000919918516 881144329 /nfs/dbraw/zinc/14/43/29/881144329.db2.gz NLENBCUXLRUBFG-GOSISDBHSA-N 0 0 382.533 3.602 20 10 GHCDRN COc1cc(C(F)(F)F)ncc1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000792511422 881146626 /nfs/dbraw/zinc/14/66/26/881146626.db2.gz DJLKUUUDSAKKKJ-UHFFFAOYSA-N 0 0 386.349 3.636 20 10 GHCDRN Cc1cc(C(=O)N2CCO[C@@]3(CCO[C@@H]3C)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000792538124 881167067 /nfs/dbraw/zinc/16/70/67/881167067.db2.gz AIGIZOGVPWWYNW-XXBNENTESA-N 0 0 382.504 3.731 20 10 GHCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](COCC(C)C)c2ccco2)c1 ZINC000103515365 881261354 /nfs/dbraw/zinc/26/13/54/881261354.db2.gz STOJOPTXAQVSKQ-PBHICJAKSA-N 0 0 376.453 3.768 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)Cc1nc(-c2cccnc2)no1 ZINC000114345817 881298543 /nfs/dbraw/zinc/29/85/43/881298543.db2.gz NABVVBMXGACIHL-UHFFFAOYSA-N 0 0 393.472 3.873 20 10 GHCDRN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000174998510 883148411 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O=C(CO[C@H]1CCCc2ccccc21)NCc1cc(Br)ccc1O ZINC000804739342 883322995 /nfs/dbraw/zinc/32/29/95/883322995.db2.gz WREVKBIGFGVSRI-SFHVURJKSA-N 0 0 390.277 3.865 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)N[C@@H](c2ccccn2)C2CCC2)cc1 ZINC000858752087 883327290 /nfs/dbraw/zinc/32/72/90/883327290.db2.gz FFBBRTHISKDUKD-OAQYLSRUSA-N 0 0 382.508 3.709 20 10 GHCDRN Cc1ccc(F)c2[nH]c(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc21 ZINC000858784908 883354865 /nfs/dbraw/zinc/35/48/65/883354865.db2.gz BEDGFEPKEWFEIH-OAHLLOKOSA-N 0 0 381.451 3.943 20 10 GHCDRN CCC(F)(F)C(C)(C)CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000858820784 883378849 /nfs/dbraw/zinc/37/88/49/883378849.db2.gz IHTRANYSPXONOC-UHFFFAOYSA-N 0 0 383.483 3.736 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Br)cnc1F ZINC000858826834 883384518 /nfs/dbraw/zinc/38/45/18/883384518.db2.gz PLFNUVOOXWOHBJ-UHFFFAOYSA-N 0 0 380.261 3.712 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)C ZINC001129973684 883397084 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GHCDRN CCN(CC)c1ccc(CNC(=O)NCCc2cnn(-c3ccccc3)c2)cc1 ZINC000918199689 893349300 /nfs/dbraw/zinc/34/93/00/893349300.db2.gz OAWUKTJDWDCXPS-UHFFFAOYSA-N 0 0 391.519 3.760 20 10 GHCDRN OC1CCN(c2ccc(CNc3ccccc3OCCn3ccnc3)cc2)CC1 ZINC000876850894 893361361 /nfs/dbraw/zinc/36/13/61/893361361.db2.gz DSSSKOKVKWKCHX-UHFFFAOYSA-N 0 0 392.503 3.535 20 10 GHCDRN CN(Cc1cnn(-c2ccccc2)c1)C(=O)NCCCSc1nccs1 ZINC000154675311 893382546 /nfs/dbraw/zinc/38/25/46/893382546.db2.gz GYMMACAPMUWXRO-UHFFFAOYSA-N 0 0 387.534 3.653 20 10 GHCDRN CCCCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C1CC1 ZINC000918222691 893393762 /nfs/dbraw/zinc/39/37/62/893393762.db2.gz WMWQHWSNIILPHY-HOTGVXAUSA-N 0 0 377.504 3.913 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccc(O)c(Br)c1 ZINC000126282990 893434854 /nfs/dbraw/zinc/43/48/54/893434854.db2.gz DAMYGILBFMJAKA-UHFFFAOYSA-N 0 0 393.281 3.982 20 10 GHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccncc1OC[C@H]1CCOC1 ZINC000288454951 913771981 /nfs/dbraw/zinc/77/19/81/913771981.db2.gz NHJWXPSUKIPCRU-LBPRGKRZSA-N 0 0 383.275 3.799 20 10 GHCDRN CC(=O)c1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cs1 ZINC000815153557 893488733 /nfs/dbraw/zinc/48/87/33/893488733.db2.gz RCVNRHFBKUWIRY-IBGZPJMESA-N 0 0 386.517 3.838 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)[C@@H]3CCc4cccc(OC)c43)CC2)cc1 ZINC000815259370 893645212 /nfs/dbraw/zinc/64/52/12/893645212.db2.gz UBBRKPHUZYUVRP-HXUWFJFHSA-N 0 0 380.488 3.519 20 10 GHCDRN Cc1ccc(N2C(=O)/C(=C/c3c(Br)cnn3C)SC2=S)cc1 ZINC000778247948 893661984 /nfs/dbraw/zinc/66/19/84/893661984.db2.gz NQYXAZIDPUJVFU-QPEQYQDCSA-N 0 0 394.319 3.897 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)c1cccc2c1CCN2C(=O)OC(C)(C)C ZINC000934705119 893834150 /nfs/dbraw/zinc/83/41/50/893834150.db2.gz QIXDPHKJMKBVOZ-UHFFFAOYSA-N 0 0 382.460 3.962 20 10 GHCDRN CC1CCN(c2ccc(CNC(=O)NC[C@](C)(O)c3ccsc3)cc2)CC1 ZINC000126856437 893963536 /nfs/dbraw/zinc/96/35/36/893963536.db2.gz KPINGZQOLSMUHT-NRFANRHFSA-N 0 0 387.549 3.691 20 10 GHCDRN COc1cc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])ccc1OCCO ZINC000815561681 894001228 /nfs/dbraw/zinc/00/12/28/894001228.db2.gz MZKKBXXBAUIJRD-GFCCVEGCSA-N 0 0 385.382 3.642 20 10 GHCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCc2ccn(C)n2)cc1 ZINC000815548247 894014527 /nfs/dbraw/zinc/01/45/27/894014527.db2.gz REOWIJSJRUIDPK-UHFFFAOYSA-N 0 0 392.503 3.661 20 10 GHCDRN C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000815578892 894018868 /nfs/dbraw/zinc/01/88/68/894018868.db2.gz ZSZHEGXFYAKXAP-DYVFJYSZSA-N 0 0 380.410 3.761 20 10 GHCDRN C[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1cccc(C(F)(F)F)c1[O-] ZINC000815597250 894033763 /nfs/dbraw/zinc/03/37/63/894033763.db2.gz QTWRPOIWDUSZHN-JOYOIKCWSA-N 0 0 384.320 3.615 20 10 GHCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CC2(C1)CCOCC2 ZINC000815740224 894188459 /nfs/dbraw/zinc/18/84/59/894188459.db2.gz ATAGBFMLQHPPAZ-UHFFFAOYSA-N 0 0 378.432 3.680 20 10 GHCDRN CC(C)C(=O)Nc1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)ccn1 ZINC000815796685 894214508 /nfs/dbraw/zinc/21/45/08/894214508.db2.gz HWNOYGZWJNNJGD-UHFFFAOYSA-N 0 0 393.443 3.817 20 10 GHCDRN COc1cccc(C(=O)CCCC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000815835663 894246086 /nfs/dbraw/zinc/24/60/86/894246086.db2.gz APFHYHWCLXELIB-UHFFFAOYSA-N 0 0 381.472 3.949 20 10 GHCDRN C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000127186951 894371587 /nfs/dbraw/zinc/37/15/87/894371587.db2.gz DNQLGJCHSQNLMO-GFCCVEGCSA-N 0 0 387.827 3.728 20 10 GHCDRN CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)[C@@H]2C1 ZINC000127319973 894554814 /nfs/dbraw/zinc/55/48/14/894554814.db2.gz LVEZPDFRAUCCTE-NRSPTQNISA-N 0 0 386.467 3.642 20 10 GHCDRN Cc1cc(CC(=O)N(C)C2(C(N)=O)CCCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000778395628 894877596 /nfs/dbraw/zinc/87/75/96/894877596.db2.gz RBFRPOFNUOBUTL-UHFFFAOYSA-N 0 0 387.911 3.547 20 10 GHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000816539447 894907701 /nfs/dbraw/zinc/90/77/01/894907701.db2.gz GRSSRQICVTYMOD-LBPRGKRZSA-N 0 0 393.764 3.733 20 10 GHCDRN C[C@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)CC(F)F ZINC000826104685 894975947 /nfs/dbraw/zinc/97/59/47/894975947.db2.gz CBUIBIMWRLQBTG-LBPRGKRZSA-N 0 0 391.409 3.847 20 10 GHCDRN CCOc1cc(C)ccc1CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000127753864 895055400 /nfs/dbraw/zinc/05/54/00/895055400.db2.gz QDHODMYQVVYYFC-UHFFFAOYSA-N 0 0 397.519 3.871 20 10 GHCDRN Cc1cc(C(=O)N[C@@H](C(N)=O)[C@@H](C)c2ccccc2)c(C)n1-c1ccc(F)cc1 ZINC000816801095 895087269 /nfs/dbraw/zinc/08/72/69/895087269.db2.gz KODCVLZUVVUMCQ-YCRPNKLZSA-N 0 0 393.462 3.621 20 10 GHCDRN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1 ZINC000760303781 895143437 /nfs/dbraw/zinc/14/34/37/895143437.db2.gz UVWGOBHPCZOMSO-OAHLLOKOSA-N 0 0 395.507 3.598 20 10 GHCDRN CN(C)c1ccc(CN(C(=O)c2cccc(OCC(F)F)n2)C2CC2)cc1 ZINC000760332219 895218987 /nfs/dbraw/zinc/21/89/87/895218987.db2.gz XYZXKUFECVUUFD-UHFFFAOYSA-N 0 0 375.419 3.596 20 10 GHCDRN CC[C@H](C)CONC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000816979993 895236821 /nfs/dbraw/zinc/23/68/21/895236821.db2.gz CIVMNNOZGDTXGN-GVIGZQTCSA-N 0 0 398.575 3.823 20 10 GHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C ZINC001135800326 895290026 /nfs/dbraw/zinc/29/00/26/895290026.db2.gz CRFONEWJHFMMJK-YSIASYRMSA-N 0 0 399.535 3.501 20 10 GHCDRN Cc1cc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c(C)n1-c1ccn(C)n1 ZINC001135800817 895290865 /nfs/dbraw/zinc/29/08/65/895290865.db2.gz RBTKMIKZLLUNTN-UHFFFAOYSA-N 0 0 391.519 3.700 20 10 GHCDRN C[C@@H](NS(=O)(=O)c1cc(F)ccc1OC(F)F)c1ccc(N(C)C)cc1 ZINC000817139059 895350225 /nfs/dbraw/zinc/35/02/25/895350225.db2.gz VWXMCIOLBDUUME-LLVKDONJSA-N 0 0 388.411 3.533 20 10 GHCDRN Cc1cc(CNC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)c(C)n1-c1ccccc1 ZINC001170856709 895391348 /nfs/dbraw/zinc/39/13/48/895391348.db2.gz CHWQUBZXMJQFGA-HXUWFJFHSA-N 0 0 381.520 3.747 20 10 GHCDRN O=C(NCCCSc1nccs1)Nc1nn(CC(F)(F)F)cc1Cl ZINC000879919746 895403191 /nfs/dbraw/zinc/40/31/91/895403191.db2.gz QPLDJLUJQYFHKF-UHFFFAOYSA-N 0 0 399.851 3.859 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1cn(C)nc1Br ZINC000880060723 895486397 /nfs/dbraw/zinc/48/63/97/895486397.db2.gz XMBMNSGUDKYEAM-UHFFFAOYSA-N 0 0 381.274 3.722 20 10 GHCDRN COc1c([O-])c(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)ccc1[N+](=O)[O-] ZINC000817408686 895588210 /nfs/dbraw/zinc/58/82/10/895588210.db2.gz LJVYZGCQZMZIJO-CQSZACIVSA-N 0 0 378.812 3.966 20 10 GHCDRN CN(C)c1ccc(CN(C)C(=O)Cc2ccccc2OCc2ccncc2)cc1 ZINC001135915017 895592278 /nfs/dbraw/zinc/59/22/78/895592278.db2.gz WOCMDABVLURYPU-UHFFFAOYSA-N 0 0 389.499 3.928 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])c(C)cc3C)CC2)cc1 ZINC000817430812 895621746 /nfs/dbraw/zinc/62/17/46/895621746.db2.gz FCTHHCIRNWPRBZ-UHFFFAOYSA-N 0 0 383.448 3.619 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)Nc1ccc2ccccc2n1 ZINC000880490225 895729870 /nfs/dbraw/zinc/72/98/70/895729870.db2.gz NLVSRZCJBAPSKF-UHFFFAOYSA-N 0 0 376.460 3.518 20 10 GHCDRN CCC(CC)[C@@H](C(=O)N(C)Cc1ccc(N(CC)CC)cc1)N1CCOCC1 ZINC001135946131 895739788 /nfs/dbraw/zinc/73/97/88/895739788.db2.gz GXGUZJWOIJPLSF-QFIPXVFZSA-N 0 0 389.584 3.628 20 10 GHCDRN O=C(c1cccc(O)c1O)N1CCC[C@H]1Cc1ccccc1Br ZINC000817625266 895766228 /nfs/dbraw/zinc/76/62/28/895766228.db2.gz LBOLEHSJRCSBAK-ZDUSSCGKSA-N 0 0 376.250 3.708 20 10 GHCDRN Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001135969018 895809615 /nfs/dbraw/zinc/80/96/15/895809615.db2.gz PXBJBRDVCMEYLE-KRWDZBQOSA-N 0 0 376.420 3.713 20 10 GHCDRN Cc1ccccc1[C@@H]1C[C@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000128568643 895819768 /nfs/dbraw/zinc/81/97/68/895819768.db2.gz NDRAGBDDUXDQFG-FCHUYYIVSA-N 0 0 379.504 3.529 20 10 GHCDRN COc1ccc(-n2c(C)cc(C(=O)NC(C)(C)c3cn(C(C)C)nn3)c2C)cc1 ZINC000817701522 895824554 /nfs/dbraw/zinc/82/45/54/895824554.db2.gz JFZJUPKTVJVZPM-UHFFFAOYSA-N 0 0 395.507 3.940 20 10 GHCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc12 ZINC000817762644 895892874 /nfs/dbraw/zinc/89/28/74/895892874.db2.gz WYRHDOCJIKQDNG-CQSZACIVSA-N 0 0 385.485 3.908 20 10 GHCDRN CCCCCN(C(=O)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C(C)C ZINC000817859793 895934506 /nfs/dbraw/zinc/93/45/06/895934506.db2.gz OZDKGICDWCKVRS-SFHVURJKSA-N 0 0 375.557 3.535 20 10 GHCDRN C[C@@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000817882026 895948380 /nfs/dbraw/zinc/94/83/80/895948380.db2.gz VFYHTYWIVSKWRO-GDBMZVCRSA-N 0 0 395.341 3.982 20 10 GHCDRN COc1c([O-])c(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000774913878 914025293 /nfs/dbraw/zinc/02/52/93/914025293.db2.gz SRKICJDRIPMAJE-WBVHZDCISA-N 0 0 390.436 3.770 20 10 GHCDRN COc1cccc(C=C2CC[NH+](Cc3ccc([N+](=O)[O-])c(OC)c3[O-])CC2)c1 ZINC000774912964 914020572 /nfs/dbraw/zinc/02/05/72/914020572.db2.gz PFECINRFTSDEEV-UHFFFAOYSA-N 0 0 384.432 3.997 20 10 GHCDRN Nc1ccc(Cc2nc(C(=O)N3CCC(Cc4cccnc4)CC3)cs2)cc1 ZINC000817997578 895982666 /nfs/dbraw/zinc/98/26/66/895982666.db2.gz RQVSCGOLIBMWAX-UHFFFAOYSA-N 0 0 392.528 3.806 20 10 GHCDRN CCC1(CC)[C@H](N(C)C(=O)c2csc(Cc3ccc(N)cc3)n2)C[C@@H]1OC ZINC000817999457 895983772 /nfs/dbraw/zinc/98/37/72/895983772.db2.gz RLNOWULRFMWFGN-MSOLQXFVSA-N 0 0 387.549 3.982 20 10 GHCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1nc(C(F)F)no1 ZINC000818066560 896039867 /nfs/dbraw/zinc/03/98/67/896039867.db2.gz VBPIWJUTCYABPK-UHFFFAOYSA-N 0 0 394.403 3.954 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cscc1Cl ZINC000880979206 896044677 /nfs/dbraw/zinc/04/46/77/896044677.db2.gz RRLVQDUZTLVGLL-UHFFFAOYSA-N 0 0 383.876 3.823 20 10 GHCDRN O=C(C[C@H]1CCC2(CCC2)O1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000888858522 896060646 /nfs/dbraw/zinc/06/06/46/896060646.db2.gz SIYUCOPNTITMQF-GOSISDBHSA-N 0 0 394.462 3.865 20 10 GHCDRN COc1c([O-])c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000774915223 914031439 /nfs/dbraw/zinc/03/14/39/914031439.db2.gz ZILZDTCOFVDARH-WMZOPIPTSA-N 0 0 390.411 3.536 20 10 GHCDRN COc1ccc(N2CC[C@H](C[NH2+]Cc3cccc(Br)c3[O-])C2)cc1 ZINC000818221315 896088011 /nfs/dbraw/zinc/08/80/11/896088011.db2.gz QOSNIEFJASUMCO-CQSZACIVSA-N 0 0 391.309 3.779 20 10 GHCDRN FC(F)Oc1ccc(N2CCC[C@H](N[C@H](c3nc[nH]n3)c3ccccc3)C2)cc1 ZINC000289148595 914056790 /nfs/dbraw/zinc/05/67/90/914056790.db2.gz GDNSZXFDXLJNGF-LPHOPBHVSA-N 0 0 399.445 3.754 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=S)Nc3ccc(C(C)=O)cc3)C2)cc1 ZINC000819019979 896352514 /nfs/dbraw/zinc/35/25/14/896352514.db2.gz GCECMRUYXARWGC-MRXNPFEDSA-N 0 0 383.517 3.711 20 10 GHCDRN Cc1cc(C(=O)N2CCC([C@@H]3NC(=O)C3(C)C)CC2)c(C)n1-c1ccccc1C ZINC000819071668 896387556 /nfs/dbraw/zinc/38/75/56/896387556.db2.gz YDNOWGUOQIEIOD-NRFANRHFSA-N 0 0 393.531 3.779 20 10 GHCDRN CC(C)Oc1ccc(CC[C@H](C)N2C(=O)CN(Cc3ccccc3O)C2=O)cc1 ZINC000819165090 896438208 /nfs/dbraw/zinc/43/82/08/896438208.db2.gz OHYTZJKLTIOTPO-KRWDZBQOSA-N 0 0 396.487 3.965 20 10 GHCDRN CC[C@@H](C)Oc1cc(C)ccc1CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819167334 896440929 /nfs/dbraw/zinc/44/09/29/896440929.db2.gz AAIGYFXRCOIFBG-MRXNPFEDSA-N 0 0 382.460 3.842 20 10 GHCDRN O=C1CN(Cc2ccccc2O)C(=O)N1CC1(c2ccc(F)cc2Cl)CC1 ZINC000819168590 896442872 /nfs/dbraw/zinc/44/28/72/896442872.db2.gz RJKVTRVRGXZOQX-UHFFFAOYSA-N 0 0 388.826 3.681 20 10 GHCDRN CC1(C)[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C[C@@H]1OCc1ccccc1 ZINC000819170913 896444401 /nfs/dbraw/zinc/44/44/01/896444401.db2.gz PUJDEFXPGOISJY-UXHICEINSA-N 0 0 394.471 3.540 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ncn(-c2ccccc2)n1 ZINC000819192785 896463648 /nfs/dbraw/zinc/46/36/48/896463648.db2.gz WDUFADHINHYFEI-UHFFFAOYSA-N 0 0 377.473 3.666 20 10 GHCDRN Cc1ccc(C2(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)CCC2)cc1 ZINC000819302578 896542596 /nfs/dbraw/zinc/54/25/96/896542596.db2.gz RODXDUCUSPIRPF-UHFFFAOYSA-N 0 0 392.543 3.942 20 10 GHCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CSCC(F)(F)F)cc1 ZINC000129520418 896704864 /nfs/dbraw/zinc/70/48/64/896704864.db2.gz TXUJJYIJRGCWAS-MRXNPFEDSA-N 0 0 390.471 3.556 20 10 GHCDRN COc1c(O)c(CNc2cccc(-c3n[nH]c(C4CC4)n3)c2)ccc1[N+](=O)[O-] ZINC000774926477 914091662 /nfs/dbraw/zinc/09/16/62/914091662.db2.gz BMDBPGYMUYVFCV-UHFFFAOYSA-N 0 0 381.392 3.584 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)/C=C/c3nc4ccccc4s3)C2)cc1 ZINC000819581471 896822445 /nfs/dbraw/zinc/82/24/45/896822445.db2.gz ZOKQNLPAYURWGY-OFAQMXQXSA-N 0 0 393.512 3.961 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)CSCc3cccc(C)c3)C2)cc1 ZINC000819580213 896822463 /nfs/dbraw/zinc/82/24/63/896822463.db2.gz GWBGDQWPGZBGBT-IBGZPJMESA-N 0 0 384.545 3.880 20 10 GHCDRN COCc1c2ccccc2oc1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819581082 896823570 /nfs/dbraw/zinc/82/35/70/896823570.db2.gz STZFGIJLIJKNDC-MRXNPFEDSA-N 0 0 394.471 3.844 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C)Oc3ccccc3Cl)C2)cc1 ZINC000819583197 896829177 /nfs/dbraw/zinc/82/91/77/896829177.db2.gz QOMLQYHYCSHZES-CVEARBPZSA-N 0 0 388.895 3.759 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cnc4ccccc4c3C)C2)cc1 ZINC000819584482 896830457 /nfs/dbraw/zinc/83/04/57/896830457.db2.gz KGHSHEKWDDZWAB-QGZVFWFLSA-N 0 0 375.472 3.808 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@H]3C[C@@H]3c3cc(F)ccc3F)C2)cc1 ZINC000819584223 896831822 /nfs/dbraw/zinc/83/18/22/896831822.db2.gz DYRPPLVLOOUGFL-DJKXOVBDSA-N 0 0 386.442 3.720 20 10 GHCDRN CC[C@H](Oc1cccc(C)c1)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819585104 896832835 /nfs/dbraw/zinc/83/28/35/896832835.db2.gz WSCRJBBQTZNAJB-AVRDEDQJSA-N 0 0 382.504 3.804 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@@]3(C)CCc4ccccc4C3)C2)cc1 ZINC000819584718 896834280 /nfs/dbraw/zinc/83/42/80/896834280.db2.gz PKANJMQVIALMIJ-UUOWRZLLSA-N 0 0 378.516 3.833 20 10 GHCDRN CC[C@@H](Oc1ccccc1C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819584793 896835600 /nfs/dbraw/zinc/83/56/00/896835600.db2.gz QWPHHTFKZRBINO-GHTZIAJQSA-N 0 0 382.504 3.804 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)/C(C)=C/c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000819587050 896836352 /nfs/dbraw/zinc/83/63/52/896836352.db2.gz DKGAIFZPBBJKHE-IYICPGQYSA-N 0 0 395.459 3.649 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3[nH]c(C)c(C(C)=O)c3C(C)C)C2)cc1 ZINC000819585567 896836466 /nfs/dbraw/zinc/83/64/66/896836466.db2.gz GJEXRFPYPAQBLV-QGZVFWFLSA-N 0 0 397.519 3.914 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cc(O)c4ccccc4c3)C2)cc1 ZINC000819588461 896837667 /nfs/dbraw/zinc/83/76/67/896837667.db2.gz MOCOZWHHLWJGQR-MRXNPFEDSA-N 0 0 376.456 3.810 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)C3(c4cccnc4)CCCC3)C2)cc1 ZINC000819590340 896838796 /nfs/dbraw/zinc/83/87/96/896838796.db2.gz KPUIKDIJYRRQLY-SFHVURJKSA-N 0 0 379.504 3.545 20 10 GHCDRN Cc1cc(C(=O)NC[C@H]2CCN(C)C(=O)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000819619563 896867261 /nfs/dbraw/zinc/86/72/61/896867261.db2.gz GHOUXAAJFWQTOY-SFHVURJKSA-N 0 0 381.520 3.816 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(N2CCCCC2)cc1 ZINC000819695936 896909203 /nfs/dbraw/zinc/90/92/03/896909203.db2.gz FLZQEVFYKQRANX-UHFFFAOYSA-N 0 0 396.487 3.588 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)[C@@]1(c2ccccc2)CCCO1 ZINC001136282328 897071050 /nfs/dbraw/zinc/07/10/50/897071050.db2.gz HRDJOJLHDUPZRK-QFIPXVFZSA-N 0 0 382.529 3.562 20 10 GHCDRN O=C(CSc1ccc(O)cc1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000820006230 897081859 /nfs/dbraw/zinc/08/18/59/897081859.db2.gz OWBAHYKEZOYZNN-UHFFFAOYSA-N 0 0 376.441 3.833 20 10 GHCDRN COc1cc(NCc2cc(Br)cc(F)c2O)cc(OC)c1OC ZINC000882906603 897088804 /nfs/dbraw/zinc/08/88/04/897088804.db2.gz NYPAHRQJWLFEJM-UHFFFAOYSA-N 0 0 386.217 3.932 20 10 GHCDRN C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])c1ccc2c(c1)CC(=O)N2C ZINC000882970636 897159445 /nfs/dbraw/zinc/15/94/45/897159445.db2.gz JOPVIJSOFYZINV-SNVBAGLBSA-N 0 0 393.256 3.664 20 10 GHCDRN COCCOCc1ccc(C[NH2+]Cc2cc(Br)cc(F)c2[O-])cc1 ZINC000883125557 897302805 /nfs/dbraw/zinc/30/28/05/897302805.db2.gz MOCAZSDZTJTZOD-UHFFFAOYSA-N 0 0 398.272 3.747 20 10 GHCDRN COc1ccc(Br)cc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136343392 897354608 /nfs/dbraw/zinc/35/46/08/897354608.db2.gz WXEGQJYAXXXNKZ-UHFFFAOYSA-N 0 0 377.198 3.872 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)Nc1cccc(N2CCCC2)c1 ZINC000820511594 897362834 /nfs/dbraw/zinc/36/28/34/897362834.db2.gz BXYKBEQNMYFBFI-UHFFFAOYSA-N 0 0 394.519 3.570 20 10 GHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCO[C@H](c2cnn(C)c2)C1 ZINC000820521759 897369005 /nfs/dbraw/zinc/36/90/05/897369005.db2.gz LLUQPLQXHWXFJO-WMZOPIPTSA-N 0 0 384.505 3.539 20 10 GHCDRN COc1ccc(N2CCN([C@H](C)C(=O)Nc3ccc(SC)cc3)CC2)cc1 ZINC000042289954 897398872 /nfs/dbraw/zinc/39/88/72/897398872.db2.gz NCPWBQQMODUPFI-MRXNPFEDSA-N 0 0 385.533 3.566 20 10 GHCDRN CC(C)c1csc(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000131600427 897526851 /nfs/dbraw/zinc/52/68/51/897526851.db2.gz AEXJFWQAMIQOTE-OAHLLOKOSA-N 0 0 388.537 3.664 20 10 GHCDRN CC(C)Oc1cc(C(=O)NCc2ccc3c(c2)CCCN3C)ccc1[N+](=O)[O-] ZINC001136437176 897846794 /nfs/dbraw/zinc/84/67/94/897846794.db2.gz YUDLPPIZZJOSNG-UHFFFAOYSA-N 0 0 383.448 3.694 20 10 GHCDRN COc1cccc2[nH]c(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc21 ZINC001136442822 897864156 /nfs/dbraw/zinc/86/41/56/897864156.db2.gz FZBIJBAOFFLGAG-OAHLLOKOSA-N 0 0 379.460 3.504 20 10 GHCDRN COc1ccc2cccc(CC(=O)NCc3ccc(N4CCOCC4)cc3)c2c1 ZINC000132732540 897889086 /nfs/dbraw/zinc/88/90/86/897889086.db2.gz XTXXBXKXWREELQ-UHFFFAOYSA-N 0 0 390.483 3.544 20 10 GHCDRN CN(C)c1ccc(CNC(=O)c2c[nH]nc2-c2ccc(Cl)s2)cc1F ZINC001136454381 897930836 /nfs/dbraw/zinc/93/08/36/897930836.db2.gz VXAFKEZYTFBAIF-UHFFFAOYSA-N 0 0 378.860 3.927 20 10 GHCDRN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCc2ccc(N3CCCC3)cc2)c1F ZINC000821842107 898090985 /nfs/dbraw/zinc/09/09/85/898090985.db2.gz IGZXGLRERKGYID-UHFFFAOYSA-N 0 0 375.375 3.712 20 10 GHCDRN Cc1cc(CC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)c(C)n1-c1ccccc1 ZINC000821940347 898135363 /nfs/dbraw/zinc/13/53/63/898135363.db2.gz DBTJVUVJPIHXHS-UHFFFAOYSA-N 0 0 395.547 3.742 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cc(F)c(F)cc1F ZINC000105045684 898182302 /nfs/dbraw/zinc/18/23/02/898182302.db2.gz OZBWUIFHGNRSLZ-UHFFFAOYSA-N 0 0 393.409 3.634 20 10 GHCDRN COCCCN(Cc1ccncc1)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000106810793 898294448 /nfs/dbraw/zinc/29/44/48/898294448.db2.gz DVYBOSNWIKDCSP-UHFFFAOYSA-N 0 0 378.476 3.563 20 10 GHCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3cc(C)n(-c4ccccc4)n3)C2)cc1 ZINC000822333482 898308181 /nfs/dbraw/zinc/30/81/81/898308181.db2.gz ZEDVBHHZGNKWRN-KRWDZBQOSA-N 0 0 391.475 3.590 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1CCC[C@H](C)O1 ZINC000822412716 898359947 /nfs/dbraw/zinc/35/99/47/898359947.db2.gz WIRJIXJCYRZELX-WFASDCNBSA-N 0 0 385.302 3.644 20 10 GHCDRN Cc1nn(C(F)F)c(C)c1CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108294551 898374917 /nfs/dbraw/zinc/37/49/17/898374917.db2.gz JHMLLWAYIICPJQ-UHFFFAOYSA-N 0 0 390.478 3.990 20 10 GHCDRN C[C@@H](CCC(C)(C)C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000133414772 898393211 /nfs/dbraw/zinc/39/32/11/898393211.db2.gz ZAPAYEPIJSYMAS-HNNXBMFYSA-N 0 0 379.520 3.801 20 10 GHCDRN CCOC(=O)CN(Cc1ccccc1O)Cc1ccc(OC)c(OC)c1Cl ZINC000822511834 898444236 /nfs/dbraw/zinc/44/42/36/898444236.db2.gz NNFDFWZPVRURJQ-UHFFFAOYSA-N 0 0 393.867 3.628 20 10 GHCDRN CC(C)C[C@@H](C)n1nccc1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000822554525 898470085 /nfs/dbraw/zinc/47/00/85/898470085.db2.gz YIRCQIAQCQGWIF-QGZVFWFLSA-N 0 0 399.539 3.773 20 10 GHCDRN Cc1cc(CC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c(C)n1-c1ccccc1 ZINC000822561270 898477430 /nfs/dbraw/zinc/47/74/30/898477430.db2.gz CINIHXRXGHXENF-NRFANRHFSA-N 0 0 378.476 3.651 20 10 GHCDRN CC(C)c1ncsc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000822613835 898502825 /nfs/dbraw/zinc/50/28/25/898502825.db2.gz NDCNFNWHZDWMHO-ZIAGYGMSSA-N 0 0 391.512 3.949 20 10 GHCDRN Cc1nn(C)c(C)c1CC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000800050160 898537724 /nfs/dbraw/zinc/53/77/24/898537724.db2.gz ORFGSXVQCLYPNV-CQSZACIVSA-N 0 0 388.943 3.786 20 10 GHCDRN Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1C ZINC000822689082 898565748 /nfs/dbraw/zinc/56/57/48/898565748.db2.gz XMXKAONUHBXAKR-VQTJNVASSA-N 0 0 382.479 3.699 20 10 GHCDRN Cc1csc([C@H](C)C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)n1 ZINC000822687733 898565868 /nfs/dbraw/zinc/56/58/68/898565868.db2.gz FYPMYVKQEDULDM-QLFBSQMISA-N 0 0 391.512 3.624 20 10 GHCDRN Cc1cc2cc[nH]c2cc1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000822820078 898652430 /nfs/dbraw/zinc/65/24/30/898652430.db2.gz AMZTYRBVEBQAKR-UHFFFAOYSA-N 0 0 378.476 3.759 20 10 GHCDRN CN(c1ccc(CNC(=O)N2CCC[C@H](n3ccnn3)C2)cc1)C1CCCCC1 ZINC000822845248 898671029 /nfs/dbraw/zinc/67/10/29/898671029.db2.gz JWZUIXRFPNVMQU-NRFANRHFSA-N 0 0 396.539 3.594 20 10 GHCDRN CCC(CC)NC(=O)[C@@H]1CN(C(=O)/C=C/c2cccnc2C)c2ccccc2O1 ZINC000822940557 898739794 /nfs/dbraw/zinc/73/97/94/898739794.db2.gz VYGYTYJIMKBRTP-IWGBCORSSA-N 0 0 393.487 3.502 20 10 GHCDRN CCc1c(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cnn1CCC(C)C ZINC000822953563 898750404 /nfs/dbraw/zinc/75/04/04/898750404.db2.gz LSRHWULTYWNRHS-KRWDZBQOSA-N 0 0 399.539 3.901 20 10 GHCDRN CCc1ncc(S(=O)(=O)NCc2ccc(N(C)C3CCCCC3)cc2)s1 ZINC001186046168 914281429 /nfs/dbraw/zinc/28/14/29/914281429.db2.gz FPCISZXLQCRKKB-UHFFFAOYSA-N 0 0 393.578 3.953 20 10 GHCDRN CN(c1ccc(CNS(=O)(=O)c2ccc(N)cc2F)cc1)C1CCCCC1 ZINC001186046635 914283213 /nfs/dbraw/zinc/28/32/13/914283213.db2.gz PBUATKUFFGMRLO-UHFFFAOYSA-N 0 0 391.512 3.655 20 10 GHCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3cc(-c4ccsc4)nn3C)C2)cc1 ZINC000823022232 898818438 /nfs/dbraw/zinc/81/84/38/898818438.db2.gz DLZIWRRBTYQTIC-OAHLLOKOSA-N 0 0 397.504 3.558 20 10 GHCDRN CCc1nc([C@@H](C)NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cs1 ZINC000111895069 898840194 /nfs/dbraw/zinc/84/01/94/898840194.db2.gz FESSVWAQYVOJAJ-ZBFHGGJFSA-N 0 0 389.521 3.863 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3C[C@@]3(C)c3ccccc3)C2)cc1 ZINC000823140834 898846378 /nfs/dbraw/zinc/84/63/78/898846378.db2.gz NXHIDXQMXSVZKX-OAOOKAIFSA-N 0 0 379.504 3.551 20 10 GHCDRN C=CC(=O)Nc1ccc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 ZINC001136705714 898951343 /nfs/dbraw/zinc/95/13/43/898951343.db2.gz YHUHZZNNXWKKJV-UHFFFAOYSA-N 0 0 377.488 3.977 20 10 GHCDRN O=C(Cc1nc(-c2ccccc2)cs1)NCc1ccc(N2CCOCC2)cc1 ZINC000823295262 898961403 /nfs/dbraw/zinc/96/14/03/898961403.db2.gz FPEVXUCPSKZBNN-UHFFFAOYSA-N 0 0 393.512 3.506 20 10 GHCDRN C[C@@H](O)C[C@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)c1ccccc1 ZINC000155640628 898965181 /nfs/dbraw/zinc/96/51/81/898965181.db2.gz DWOVUZVOPRXUFR-VQIMIIECSA-N 0 0 382.504 3.625 20 10 GHCDRN O=C(NCc1csc(-c2ccco2)n1)NCc1ccc(N2CC=CC2)cc1 ZINC000133818938 899069281 /nfs/dbraw/zinc/06/92/81/899069281.db2.gz DWEBLMROGXDPFY-UHFFFAOYSA-N 0 0 380.473 3.779 20 10 GHCDRN COc1ccc(N2CC[C@@H](CNC(=O)NCC3CCC(F)(F)CC3)C2)cc1 ZINC000823570256 899092858 /nfs/dbraw/zinc/09/28/58/899092858.db2.gz VINGXTRPPLPHMC-INIZCTEOSA-N 0 0 381.467 3.646 20 10 GHCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCCC2(CCCCC2)C1 ZINC000823554177 899109570 /nfs/dbraw/zinc/10/95/70/899109570.db2.gz QECBOPZLRHXDEU-UHFFFAOYSA-N 0 0 385.552 3.904 20 10 GHCDRN CN(Cc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823559840 899114324 /nfs/dbraw/zinc/11/43/24/899114324.db2.gz SUSXCZMMQFGUNF-UHFFFAOYSA-N 0 0 387.911 3.643 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)NC[C@H]3CCCCC3(F)F)C2)cc1 ZINC000823656228 899165313 /nfs/dbraw/zinc/16/53/13/899165313.db2.gz 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CCSc1ccccc1CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001147838057 903887039 /nfs/dbraw/zinc/88/70/39/903887039.db2.gz PFJRJEDHMOKVJT-UHFFFAOYSA-N 0 0 398.572 3.866 20 10 GHCDRN Cc1ccc(O)c(CNC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)c1 ZINC001147956184 903932076 /nfs/dbraw/zinc/93/20/76/903932076.db2.gz ANKZIKPRXLSPNU-UHFFFAOYSA-N 0 0 392.793 3.802 20 10 GHCDRN O=C(NCCc1cc(O)c(O)cc1O)c1sc2cc(F)ccc2c1Cl ZINC001147993848 903948146 /nfs/dbraw/zinc/94/81/46/903948146.db2.gz XLDXRTJHTKNDOO-UHFFFAOYSA-N 0 0 381.812 3.783 20 10 GHCDRN O=Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1F ZINC001148443122 904087204 /nfs/dbraw/zinc/08/72/04/904087204.db2.gz BCQZDXVTXYVMLE-HNNXBMFYSA-N 0 0 392.377 3.638 20 10 GHCDRN C[C@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(O)c1 ZINC001148444498 904088330 /nfs/dbraw/zinc/08/83/30/904088330.db2.gz SVCZYTRMXHIQIT-HOCLYGCPSA-N 0 0 390.430 3.882 20 10 GHCDRN C[C@@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1)c1ccc(N(C)C)cc1 ZINC000773008285 904363995 /nfs/dbraw/zinc/36/39/95/904363995.db2.gz NIANFSLTRUTEKF-KDOFPFPSSA-N 0 0 375.513 3.623 20 10 GHCDRN C[C@H](NC(=O)[C@H](OC1CCOCC1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000773020354 904380476 /nfs/dbraw/zinc/38/04/76/904380476.db2.gz SUQASUFQHYDPCE-HTAPYJJXSA-N 0 0 382.504 3.867 20 10 GHCDRN C[C@H](NS(=O)(=O)Cc1cc(-c2ccccc2)no1)c1ccc(N(C)C)cc1 ZINC000773083268 904416410 /nfs/dbraw/zinc/41/64/10/904416410.db2.gz DKFXNLUOQBMXIE-HNNXBMFYSA-N 0 0 385.489 3.588 20 10 GHCDRN CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)c1cccc(O)c1O ZINC000773080696 904416556 /nfs/dbraw/zinc/41/65/56/904416556.db2.gz YOBRUPVLVXNNJT-GFCCVEGCSA-N 0 0 376.250 3.837 20 10 GHCDRN C[C@H](NS(=O)(=O)c1cccc(Br)c1)c1ccc(N(C)C)cc1 ZINC000773089182 904425231 /nfs/dbraw/zinc/42/52/31/904425231.db2.gz SLZSYCBTMYJIAI-LBPRGKRZSA-N 0 0 383.311 3.555 20 10 GHCDRN Cc1oc2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)cc2c1C ZINC000773327820 904712367 /nfs/dbraw/zinc/71/23/67/904712367.db2.gz UFMDNSUBNWEVDL-UHFFFAOYSA-N 0 0 379.460 3.679 20 10 GHCDRN C[C@@H](NC(=O)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2)c1ccccc1O ZINC001171722965 904947647 /nfs/dbraw/zinc/94/76/47/904947647.db2.gz IAMFVKPBIPRURU-GFCCVEGCSA-N 0 0 383.398 3.836 20 10 GHCDRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000779162623 904958821 /nfs/dbraw/zinc/95/88/21/904958821.db2.gz OAAQLPNSPTWLQC-CHWSQXEVSA-N 0 0 399.329 3.890 20 10 GHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000188941264 905009297 /nfs/dbraw/zinc/00/92/97/905009297.db2.gz RZAUAIVTUBUBER-UHFFFAOYSA-N 0 0 396.384 3.953 20 10 GHCDRN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000188989686 905017140 /nfs/dbraw/zinc/01/71/40/905017140.db2.gz CMBSZZIFVQCCSG-GOSISDBHSA-N 0 0 387.524 3.550 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000801548858 921122065 /nfs/dbraw/zinc/12/20/65/921122065.db2.gz UBIOZMNEKYCTHX-UHFFFAOYSA-N 0 0 395.415 3.997 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)CCN1c2ccccc2O[C@@H](C)C1=O ZINC000801549933 921123216 /nfs/dbraw/zinc/12/32/16/921123216.db2.gz HNXAJTKRURVBKN-KRWDZBQOSA-N 0 0 396.487 3.725 20 10 GHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1c(F)cc(F)cc1F ZINC000174264492 905236404 /nfs/dbraw/zinc/23/64/04/905236404.db2.gz ZODDRHAEXBDGMA-UHFFFAOYSA-N 0 0 393.409 3.634 20 10 GHCDRN C[C@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccn1 ZINC000174809373 905355711 /nfs/dbraw/zinc/35/57/11/905355711.db2.gz IQICQDICQQXSKR-GJZGRUSLSA-N 0 0 390.434 3.712 20 10 GHCDRN NC(=O)C[C@H]1CCCN(CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000175257027 905494549 /nfs/dbraw/zinc/49/45/49/905494549.db2.gz SMQCMYNJUXEOAR-DPQBTTMVSA-N 0 0 379.464 3.628 20 10 GHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175571272 905600133 /nfs/dbraw/zinc/60/01/33/905600133.db2.gz XQHXXXTYUVBLNP-UXHICEINSA-N 0 0 397.544 3.922 20 10 GHCDRN O=C(NCc1coc(-c2ccccc2)n1)NCc1ccc(N2CCCC2)cc1 ZINC000175640335 905616115 /nfs/dbraw/zinc/61/61/15/905616115.db2.gz ZGADYCFMQBTUPB-UHFFFAOYSA-N 0 0 376.460 3.941 20 10 GHCDRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000176286398 905809801 /nfs/dbraw/zinc/80/98/01/905809801.db2.gz ILFSLOWQMVGYPR-WVDZOPJMSA-N 0 0 399.560 3.709 20 10 GHCDRN COc1ccc(Br)c(-c2noc(-c3nnsc3C(C)C)n2)n1 ZINC001212687160 905901185 /nfs/dbraw/zinc/90/11/85/905901185.db2.gz FEEGQWUOARFVET-UHFFFAOYSA-N 0 0 382.243 3.545 20 10 GHCDRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000177411162 906127651 /nfs/dbraw/zinc/12/76/51/906127651.db2.gz LLBCVVUHVCSYNA-YMGMXPECSA-N 0 0 399.560 3.927 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000190933147 906454906 /nfs/dbraw/zinc/45/49/06/906454906.db2.gz NEGYCEUOVKVSLU-NSHDSACASA-N 0 0 384.354 3.792 20 10 GHCDRN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1cc(Br)ccc1O ZINC000179938649 906639325 /nfs/dbraw/zinc/63/93/25/906639325.db2.gz OHFKNMBAVUEZAR-LBPRGKRZSA-N 0 0 398.322 3.751 20 10 GHCDRN C[C@@H](O)[C@](C)(CNC(=O)NCc1ccc(N2CCCC2)cc1)Cc1ccccc1 ZINC000191117849 906644162 /nfs/dbraw/zinc/64/41/62/906644162.db2.gz ZINZUCTVWPVPMN-DVECYGJZSA-N 0 0 395.547 3.716 20 10 GHCDRN COc1ccc(Nc2c(CC(N)=O)cccc2C(=O)c2ccccc2)c(OC)c1 ZINC001173891091 906747486 /nfs/dbraw/zinc/74/74/86/906747486.db2.gz DMQMDAZFGOKNFN-UHFFFAOYSA-N 0 0 390.439 3.706 20 10 GHCDRN CS(=O)(=O)c1ccc(Nc2ccc(OCCOc3ccc(N)cc3)cc2)cc1 ZINC001173944853 906757924 /nfs/dbraw/zinc/75/79/24/906757924.db2.gz WBDXECZJISZADG-UHFFFAOYSA-N 0 0 398.484 3.874 20 10 GHCDRN COc1cccc(Nc2c(CC(N)=O)cccc2C(=O)c2ccccc2)c1OC ZINC001174018380 906790759 /nfs/dbraw/zinc/79/07/59/906790759.db2.gz UJEORDZMGCSSEY-UHFFFAOYSA-N 0 0 390.439 3.706 20 10 GHCDRN CCn1cc(Nc2c(C(=O)c3ccccc3)cccc2[C@@H](SC)C(N)=O)cn1 ZINC001174571363 907091088 /nfs/dbraw/zinc/09/10/88/907091088.db2.gz CPDHKQXTGXJMPA-HXUWFJFHSA-N 0 0 394.500 3.767 20 10 GHCDRN COCCOc1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779474653 907259972 /nfs/dbraw/zinc/25/99/72/907259972.db2.gz DAAWLMFSOKLFAY-XVNBXDOJSA-N 0 0 397.349 3.794 20 10 GHCDRN COCc1c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)sc2cccc(F)c21 ZINC000183464690 907394357 /nfs/dbraw/zinc/39/43/57/907394357.db2.gz GEWMFSSWZMKYOD-LLVKDONJSA-N 0 0 389.448 3.959 20 10 GHCDRN CN(c1ccc(CNC(=O)N2CCC(O)(C(F)F)CC2)cc1)C1CCCCC1 ZINC000779543312 907540309 /nfs/dbraw/zinc/54/03/09/907540309.db2.gz FVJDIDHYEVNFEQ-UHFFFAOYSA-N 0 0 395.494 3.757 20 10 GHCDRN C[C@H]1Cc2ccc(Br)cc2CN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779541348 907541060 /nfs/dbraw/zinc/54/10/60/907541060.db2.gz FLRIBGXYMIGMRQ-MIBUCLJRSA-N 0 0 388.261 3.847 20 10 GHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000184683972 907636829 /nfs/dbraw/zinc/63/68/29/907636829.db2.gz TURMRESDNOZCAZ-UHFFFAOYSA-N 0 0 389.503 3.941 20 10 GHCDRN COc1cc(N2CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)cc(OC)c1OC ZINC000185478388 907779226 /nfs/dbraw/zinc/77/92/26/907779226.db2.gz AKBPOVNPSGWODE-QGZVFWFLSA-N 0 0 398.503 3.555 20 10 GHCDRN COc1ccc(O)c(CN2CCOC[C@H]2c2c(C)nn(-c3ccccc3)c2C)c1 ZINC000779611923 907883828 /nfs/dbraw/zinc/88/38/28/907883828.db2.gz PZODKJCNVKJFTH-NRFANRHFSA-N 0 0 393.487 3.777 20 10 GHCDRN O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1cc2cc(O)c(O)cc2s1 ZINC001176054660 907918321 /nfs/dbraw/zinc/91/83/21/907918321.db2.gz CMLDOFBZLXJGEW-CQSZACIVSA-N 0 0 397.374 3.795 20 10 GHCDRN C[C@@H](NCc1cc(COC(C)(C)C)on1)c1ccc(N2CCOCC2)c(F)c1 ZINC000186821013 907990661 /nfs/dbraw/zinc/99/06/61/907990661.db2.gz ILTYAZCRIFVGDM-OAHLLOKOSA-N 0 0 391.487 3.816 20 10 GHCDRN CN(C)C(=O)c1ccc(-n2c(N)c(/N=N/c3ccccc3)ccc2=N)c(F)c1 ZINC001176198611 908006309 /nfs/dbraw/zinc/00/63/09/908006309.db2.gz BUERWGZRZGLULV-CWVRCJGXSA-N 0 0 378.411 3.795 20 10 GHCDRN COC(=O)c1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)c(F)cc1F ZINC000193172991 908130055 /nfs/dbraw/zinc/13/00/55/908130055.db2.gz ZLFUNMGUCYFILZ-UHFFFAOYSA-N 0 0 389.402 3.673 20 10 GHCDRN Cc1ccc(C(=O)NCc2cc(O)ccc2O)cc1NC(=O)c1ccccc1 ZINC001176748372 908237300 /nfs/dbraw/zinc/23/73/00/908237300.db2.gz QOAAOPSWPCAKPE-UHFFFAOYSA-N 0 0 376.412 3.589 20 10 GHCDRN COC(=O)c1ccc(CNC(=S)Nc2ccc(F)cc2F)nc1C1CC1 ZINC000779718660 908309596 /nfs/dbraw/zinc/30/95/96/908309596.db2.gz JOEDXSANNQEWLC-UHFFFAOYSA-N 0 0 377.416 3.510 20 10 GHCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC001177166397 908415528 /nfs/dbraw/zinc/41/55/28/908415528.db2.gz PCXWBXPMDJHJCB-LBPRGKRZSA-N 0 0 384.657 3.738 20 10 GHCDRN C[C@H](NC(=O)N1CCC([C@H](O)c2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000773624273 908456600 /nfs/dbraw/zinc/45/66/00/908456600.db2.gz MHPXNTGHUBWFSD-HTAPYJJXSA-N 0 0 381.520 3.969 20 10 GHCDRN C[C@@H](NC(=O)N[C@H](c1nccn1C)c1ccccc1F)c1ccc(N(C)C)cc1 ZINC000773618054 908465428 /nfs/dbraw/zinc/46/54/28/908465428.db2.gz HENCGOLPQUXBQI-QRWLVFNGSA-N 0 0 395.482 3.775 20 10 GHCDRN O=[N+]([O-])c1ccc(NNC(=S)Nc2ccccc2F)c(Br)c1 ZINC000777474050 908632438 /nfs/dbraw/zinc/63/24/38/908632438.db2.gz QIPYTBLGAFVULB-UHFFFAOYSA-N 0 0 385.218 3.810 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1 ZINC000193751499 908676021 /nfs/dbraw/zinc/67/60/21/908676021.db2.gz OMXZSDXPFJXYAM-IBGZPJMESA-N 0 0 379.504 3.740 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000801733924 921437451 /nfs/dbraw/zinc/43/74/51/921437451.db2.gz LDSPPAOBQCKVRR-UHFFFAOYSA-N 0 0 392.507 3.835 20 10 GHCDRN CSc1cccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC000193903375 908789853 /nfs/dbraw/zinc/78/98/53/908789853.db2.gz CJMQRFRPIUDEJQ-UHFFFAOYSA-N 0 0 396.468 3.875 20 10 GHCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(Cn3cccnc3=O)c2)cc1 ZINC000194198050 908866124 /nfs/dbraw/zinc/86/61/24/908866124.db2.gz GKBDFRUWQHSXMP-UHFFFAOYSA-N 0 0 398.466 3.951 20 10 GHCDRN CSCc1nc(CNC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)n[nH]1 ZINC001178070031 908876841 /nfs/dbraw/zinc/87/68/41/908876841.db2.gz OIBTZXWKYOHMLW-UHFFFAOYSA-N 0 0 383.521 3.622 20 10 GHCDRN COc1nnc(NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)s1 ZINC000801747573 921448576 /nfs/dbraw/zinc/44/85/76/921448576.db2.gz UXJAOBAJBCNTSD-LLVKDONJSA-N 0 0 395.916 3.758 20 10 GHCDRN O=C(NCc1ccc2ncccc2c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000194594505 908955929 /nfs/dbraw/zinc/95/59/29/908955929.db2.gz VSKCICQWAKDBHG-HXUWFJFHSA-N 0 0 391.471 3.831 20 10 GHCDRN CN1CCCc2cc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)ccc21 ZINC000195049898 908957626 /nfs/dbraw/zinc/95/76/26/908957626.db2.gz IHRPMMBHNWEYGL-FQEVSTJZSA-N 0 0 395.503 3.988 20 10 GHCDRN C[C@H](S[C@@H]1CCCOC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000779833213 909010803 /nfs/dbraw/zinc/01/08/03/909010803.db2.gz CTSLRDAYHQRAMV-DZGCQCFKSA-N 0 0 395.480 3.701 20 10 GHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)Nc1nc2c(s1)CCCC2 ZINC000195651442 909029045 /nfs/dbraw/zinc/02/90/45/909029045.db2.gz VDJBFKQAHZPXGU-UHFFFAOYSA-N 0 0 388.562 3.897 20 10 GHCDRN C[C@@H](CC(=O)c1ccccc1F)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000266236930 909044097 /nfs/dbraw/zinc/04/40/97/909044097.db2.gz GZBNEJLYANDNDH-KRWDZBQOSA-N 0 0 398.478 3.530 20 10 GHCDRN O=C(C1Cc2ccccc2C1)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001178542565 909098943 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ZINC000115847253 919474669 /nfs/dbraw/zinc/47/46/69/919474669.db2.gz HJXXQVGBKBDPIW-UHFFFAOYSA-N 0 0 387.439 3.939 20 10 GHCDRN C[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000297750379 919726035 /nfs/dbraw/zinc/72/60/35/919726035.db2.gz UZPKWISEQAHUHX-KXBFYZLASA-N 0 0 399.447 3.752 20 10 GHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCc4n[nH]cc4C3)cc2Cl)C1 ZINC000800343920 919935727 /nfs/dbraw/zinc/93/57/27/919935727.db2.gz HZOHAPDJOFAURD-GOEBONIOSA-N 0 0 386.927 3.721 20 10 GHCDRN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)C(=O)N[C@H]1CCC[C@H](CO)C1 ZINC000298039386 920124728 /nfs/dbraw/zinc/12/47/28/920124728.db2.gz DCHXWOVPDWYBEV-VTHHOHJISA-N 0 0 380.448 3.708 20 10 GHCDRN C[C@H]([NH2+][C@H](Cn1ccccc1=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000800504511 920205834 /nfs/dbraw/zinc/20/58/34/920205834.db2.gz CEKMDMOGRDVFTM-HNAYVOBHSA-N 0 0 379.416 3.554 20 10 GHCDRN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)Cc1cc(Br)ccc1O ZINC000800544194 920261382 /nfs/dbraw/zinc/26/13/82/920261382.db2.gz 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ZINC000298409277 920507979 /nfs/dbraw/zinc/50/79/79/920507979.db2.gz LJLGZOYNJQXBBC-UHFFFAOYSA-N 0 0 388.518 3.518 20 10 GHCDRN O=C(Nc1cccc(N2CCOCC2)c1)c1ccccc1Oc1ccncc1 ZINC000800880269 920561568 /nfs/dbraw/zinc/56/15/68/920561568.db2.gz FOPBIHWGPPRJIR-UHFFFAOYSA-N 0 0 375.428 3.963 20 10 GHCDRN Cc1cc(CC(=O)Nc2nnn(C)c2C(F)F)c(C)n1-c1ccc(Cl)cc1 ZINC000900860696 920668359 /nfs/dbraw/zinc/66/83/59/920668359.db2.gz XJUQOBRQSXUEHZ-UHFFFAOYSA-N 0 0 393.825 3.995 20 10 GHCDRN CC(=O)Nc1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1C ZINC000298685086 920802892 /nfs/dbraw/zinc/80/28/92/920802892.db2.gz JXZJPIFCUSZSND-IBGZPJMESA-N 0 0 397.475 3.872 20 10 GHCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@@H]1c1ccsc1 ZINC000298969706 921097303 /nfs/dbraw/zinc/09/73/03/921097303.db2.gz NYWQRPJGWGHHSH-GOSISDBHSA-N 0 0 389.496 3.771 20 10 GHCDRN C[C@@H]1CC(CCNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C[C@@H](C)O1 ZINC000802510046 922176632 /nfs/dbraw/zinc/17/66/32/922176632.db2.gz YSFDHGNATIKUOE-HLIPFELVSA-N 0 0 390.524 3.677 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CCc2c1cccc2Cl ZINC000802610100 922255187 /nfs/dbraw/zinc/25/51/87/922255187.db2.gz UJZUUBMEXHBPID-UHFFFAOYSA-N 0 0 386.879 3.764 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1c(F)cc(F)cc1F ZINC000802609806 922255593 /nfs/dbraw/zinc/25/55/93/922255593.db2.gz LCEXAZURBXEKQC-UHFFFAOYSA-N 0 0 380.366 3.577 20 10 GHCDRN CCC(CC)(CCO)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000802656925 922315432 /nfs/dbraw/zinc/31/54/32/922315432.db2.gz WTVFVWAMZVMQFR-UHFFFAOYSA-N 0 0 395.135 3.948 20 10 GHCDRN COc1c([O-])c(C[NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)ccc1[N+](=O)[O-] ZINC000802655812 922316588 /nfs/dbraw/zinc/31/65/88/922316588.db2.gz DZPUPFJDQUINES-IBGZPJMESA-N 0 0 399.491 3.699 20 10 GHCDRN CC(C)Cn1c(C2CCC2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000802661920 922321118 /nfs/dbraw/zinc/32/11/18/922321118.db2.gz FCQZMDWSZIMGJN-UHFFFAOYSA-N 0 0 383.540 3.675 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000368080913 922464285 /nfs/dbraw/zinc/46/42/85/922464285.db2.gz ITZJHJRDKWEFGI-ZWKOTPCHSA-N 0 0 388.508 3.634 20 10 GHCDRN C[C@@H]([NH2+]Cc1nc(CN(C)C)cs1)c1cc(Br)c(F)cc1[O-] ZINC000903220523 922865192 /nfs/dbraw/zinc/86/51/92/922865192.db2.gz ORVFJNOGURWXFJ-SECBINFHSA-N 0 0 388.306 3.663 20 10 GHCDRN C[C@H](c1ccco1)N(C)C(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000803676722 923142068 /nfs/dbraw/zinc/14/20/68/923142068.db2.gz CPZOZRHWHXNXSO-QGZVFWFLSA-N 0 0 397.519 3.884 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cc(OC)c3c(c2)OCCO3)cc1 ZINC000009932510 923624371 /nfs/dbraw/zinc/62/43/71/923624371.db2.gz VBJFCOGCTUDYEO-UHFFFAOYSA-N 0 0 384.476 3.585 20 10 GHCDRN C[C@@H](NC(=O)NCc1ccccc1O)c1ccc(OCc2cccnc2)cc1 ZINC000748460272 923669866 /nfs/dbraw/zinc/66/98/66/923669866.db2.gz NDGDBWCKRGGUOP-MRXNPFEDSA-N 0 0 377.444 3.927 20 10 GHCDRN Cc1cc(C)n(Cc2cccc(C(=O)NCc3ccc(N(C)C)c(F)c3)c2)n1 ZINC000748638674 923767164 /nfs/dbraw/zinc/76/71/64/923767164.db2.gz NEOBEJANTJTOMH-UHFFFAOYSA-N 0 0 380.467 3.683 20 10 GHCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccc3c(c2)CN(C(C)=O)C3)cc1 ZINC000370190003 923941593 /nfs/dbraw/zinc/94/15/93/923941593.db2.gz CRPDWLBJYQCICN-UHFFFAOYSA-N 0 0 380.492 3.717 20 10 GHCDRN COC1CC(CC[NH2+]Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000826797190 924208208 /nfs/dbraw/zinc/20/82/08/924208208.db2.gz QJERRSWJHPXTFH-UHFFFAOYSA-N 0 0 393.119 3.822 20 10 GHCDRN Cc1cccc2nc(CN3CCN(c4ccc(OC(F)(F)F)cc4)CC3)cn21 ZINC001137303590 924405998 /nfs/dbraw/zinc/40/59/98/924405998.db2.gz FGCVKUCCTQGSHT-UHFFFAOYSA-N 0 0 390.409 3.864 20 10 GHCDRN COCc1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 ZINC000371516606 924625077 /nfs/dbraw/zinc/62/50/77/924625077.db2.gz GAZMTGOCJMYDDL-UHFFFAOYSA-N 0 0 390.430 3.833 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H](CO)[C@H](C)c3ccccc3)ccc21 ZINC000678471875 924788567 /nfs/dbraw/zinc/78/85/67/924788567.db2.gz GYBSYSKKIOLJMG-VGOFRKELSA-N 0 0 394.515 3.799 20 10 GHCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](CO)[C@@H](C)c3ccccc3)ccc21 ZINC000678471874 924788851 /nfs/dbraw/zinc/78/88/51/924788851.db2.gz GYBSYSKKIOLJMG-JTSKRJEESA-N 0 0 394.515 3.799 20 10 GHCDRN CCn1cnc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)c1 ZINC000827125323 924879742 /nfs/dbraw/zinc/87/97/42/924879742.db2.gz JLHLBYVJAOGOEU-UHFFFAOYSA-N 0 0 378.476 3.825 20 10 GHCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000827134030 924886285 /nfs/dbraw/zinc/88/62/85/924886285.db2.gz ZVUUFEDNBXNJFR-LLVKDONJSA-N 0 0 391.103 3.718 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)/C=C\c1ccncc1C ZINC001137349350 924910857 /nfs/dbraw/zinc/91/08/57/924910857.db2.gz PYDHLGZXWNUZLF-DAXSKMNVSA-N 0 0 375.266 3.920 20 10 GHCDRN Cc1noc(C2CCC(NC(=O)c3cc(C)n(-c4ccccn4)c3C)CC2)n1 ZINC000371919953 924987287 /nfs/dbraw/zinc/98/72/87/924987287.db2.gz VKNYZHHRSHCMQN-UHFFFAOYSA-N 0 0 379.464 3.637 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2cnc(C)cn2)c(C)n1-c1cc(C)cc(C)c1 ZINC000011481085 925053291 /nfs/dbraw/zinc/05/32/91/925053291.db2.gz WQZLKRDWZMMUMD-UHFFFAOYSA-N 0 0 377.444 3.849 20 10 GHCDRN C[C@H]1C[C@H]1c1nnc2ccc(N(C)Cc3ccc(N4CCCCC4)cc3)nn21 ZINC000827326216 925263383 /nfs/dbraw/zinc/26/33/83/925263383.db2.gz CHBQBEMYHJYTCK-QFBILLFUSA-N 0 0 376.508 3.874 20 10 GHCDRN Cc1cc(CCNC(=O)c2ccc(Cn3cncn3)cc2)c(C)n1-c1ccccc1 ZINC000011719212 925474723 /nfs/dbraw/zinc/47/47/23/925474723.db2.gz YDWUYQDICFDKJG-UHFFFAOYSA-N 0 0 399.498 3.706 20 10 GHCDRN Cc1cc(CC(=O)N2CC[C@H](OCc3ccncc3)C2)c(C)n1-c1ccccc1 ZINC000827923160 926292637 /nfs/dbraw/zinc/29/26/37/926292637.db2.gz CEIBNLUPDGTXST-QHCPKHFHSA-N 0 0 389.499 3.849 20 10 GHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H](c2ccncc2)C2(CO)CCC2)c1 ZINC000827941744 926346014 /nfs/dbraw/zinc/34/60/14/926346014.db2.gz HQKQBNRWMGEBEY-SFHVURJKSA-N 0 0 391.309 3.852 20 10 GHCDRN Cc1cc(C)c(NS(=O)(=O)c2cccc3nsnc32)c(Br)c1 ZINC000388530415 926382142 /nfs/dbraw/zinc/38/21/42/926382142.db2.gz RPMRSAZCSWZKKL-UHFFFAOYSA-N 0 0 398.307 3.871 20 10 GHCDRN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000389853323 926389107 /nfs/dbraw/zinc/38/91/07/926389107.db2.gz XWNFWMJOOFRNHB-SWLSCSKDSA-N 0 0 399.329 3.890 20 10 GHCDRN CN(Cc1ccccc1O)C(=O)CCc1nnc(-c2cc3ccccc3o2)o1 ZINC000726191918 926583879 /nfs/dbraw/zinc/58/38/79/926583879.db2.gz WZRUBAFBQVJHSQ-UHFFFAOYSA-N 0 0 377.400 3.780 20 10 GHCDRN CN(CCCNC(=S)Nc1ccc(CN2CCCC2=O)cc1)c1ccccc1 ZINC000726467080 926685915 /nfs/dbraw/zinc/68/59/15/926685915.db2.gz XYCLVHLBXNYIJY-UHFFFAOYSA-N 0 0 396.560 3.622 20 10 GHCDRN CCOc1ccc2cc(C(=O)NC3CCN(c4ccc(OC)cc4)CC3)[nH]c2c1 ZINC000726561659 926739548 /nfs/dbraw/zinc/73/95/48/926739548.db2.gz JEORGFBDGZCPNC-UHFFFAOYSA-N 0 0 393.487 3.974 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)CCOc3ccccc3Cl)CC2)cc1 ZINC000726563297 926740526 /nfs/dbraw/zinc/74/05/26/926740526.db2.gz FPFNUZIRXJEABW-UHFFFAOYSA-N 0 0 388.895 3.903 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)Cc3ccc(-n4cccc4)cc3)CC2)cc1 ZINC000726563873 926741959 /nfs/dbraw/zinc/74/19/59/926741959.db2.gz VKPQWHZEPYMKJA-UHFFFAOYSA-N 0 0 389.499 3.814 20 10 GHCDRN Cc1cc(C(=O)NCCc2cccc(C(N)=O)c2)c(C)n1-c1cccc(Cl)c1 ZINC000726568763 926744634 /nfs/dbraw/zinc/74/46/34/926744634.db2.gz NMYDXMSJZQXJGN-UHFFFAOYSA-N 0 0 395.890 3.819 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)NCCc3cccc(Cl)c3)CC2)cc1 ZINC000726610967 926764024 /nfs/dbraw/zinc/76/40/24/926764024.db2.gz OBNKIGHWZPKGGO-UHFFFAOYSA-N 0 0 387.911 3.859 20 10 GHCDRN CCN(CC)c1ccc(CN(C)Cc2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000726843408 926888514 /nfs/dbraw/zinc/88/85/14/926888514.db2.gz DFPUSDBOIUQDHT-UHFFFAOYSA-N 0 0 394.475 3.944 20 10 GHCDRN COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(F)c3)SC2=S)cn1 ZINC000726986106 926974611 /nfs/dbraw/zinc/97/46/11/926974611.db2.gz KWQFMAXJDDMZIQ-ZSOIEALJSA-N 0 0 376.434 3.644 20 10 GHCDRN CCCCOc1ccc(-c2nnc(COC(=O)c3ccc(C)c(O)c3O)o2)cc1 ZINC000727004587 926982399 /nfs/dbraw/zinc/98/23/99/926982399.db2.gz YJWXEMMDBZEMEF-UHFFFAOYSA-N 0 0 398.415 3.992 20 10 GHCDRN Cc1cc(C(=O)NCc2[nH]cnc2C)c(C)n1-c1ccc(Br)cc1 ZINC000749190021 926991839 /nfs/dbraw/zinc/99/18/39/926991839.db2.gz 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Cc1cc(C(=O)N[C@H]2CCO[C@H](c3ccnn3C)C2)c(C)n1-c1ccc(F)cc1 ZINC000836975249 1023537179 /nfs/dbraw/zinc/53/71/79/1023537179.db2.gz PLNWXXOGJSPAGZ-UWJYYQICSA-N 0 0 396.466 3.617 20 10 GHCDRN CC(=O)N1CCCC[C@H]1C(=O)OCC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000756233737 1023559626 /nfs/dbraw/zinc/55/96/26/1023559626.db2.gz XFVPHYXAVHJDTF-NRFANRHFSA-N 0 0 396.487 3.529 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2ncc(Cl)nc2Cl)C1 ZINC001141135485 1023560898 /nfs/dbraw/zinc/56/08/98/1023560898.db2.gz ARJRGRFITCJWBK-UHFFFAOYSA-N 0 0 377.275 3.842 20 10 GHCDRN C[C@H]1Cc2ccccc2N1C(=O)CN(Cc1ccco1)Cc1ccccc1O ZINC000756326182 1023591384 /nfs/dbraw/zinc/59/13/84/1023591384.db2.gz HCIVDDIVBRPJPT-KRWDZBQOSA-N 0 0 376.456 3.965 20 10 GHCDRN CC(=O)c1ccc(NC(=O)CN(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000756329118 1023592151 /nfs/dbraw/zinc/59/21/51/1023592151.db2.gz QQYUKLWFTYIIOF-UHFFFAOYSA-N 0 0 378.428 3.829 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](c2cccc(OC)c2)N2CCCC2)c1 ZINC000756350954 1023601099 /nfs/dbraw/zinc/60/10/99/1023601099.db2.gz HVTLRYZFIFAPSC-HRAATJIYSA-N 0 0 398.503 3.675 20 10 GHCDRN C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1cc(Br)cc(Cl)c1[O-] ZINC000756351847 1023602485 /nfs/dbraw/zinc/60/24/85/1023602485.db2.gz ORFDDWWVLOOOOG-VIFPVBQESA-N 0 0 383.673 3.758 20 10 GHCDRN CCN(CC)CC[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000756354966 1023603075 /nfs/dbraw/zinc/60/30/75/1023603075.db2.gz MQJSPJQOQDVPAG-JTQLQIEISA-N 0 0 394.151 3.910 20 10 GHCDRN C[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1cc(Br)cc(Cl)c1[O-] ZINC000756381921 1023621045 /nfs/dbraw/zinc/62/10/45/1023621045.db2.gz OTPLEGWPAHBEPW-LKFCYVNXSA-N 0 0 383.673 3.685 20 10 GHCDRN C[C@H]([NH2+]CCc1cn2ccccc2n1)c1cc(Br)c(F)cc1[O-] ZINC000756393737 1023625654 /nfs/dbraw/zinc/62/56/54/1023625654.db2.gz ULBBKUCDKMLRLU-NSHDSACASA-N 0 0 378.245 3.835 20 10 GHCDRN C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)c1cc(Br)c(F)cc1[O-] ZINC000756392040 1023625863 /nfs/dbraw/zinc/62/58/63/1023625863.db2.gz GVCXBGCWGXWNSU-LLVKDONJSA-N 0 0 391.244 3.725 20 10 GHCDRN CCN(CC)C(=O)CCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756415872 1023636594 /nfs/dbraw/zinc/63/65/94/1023636594.db2.gz LAHKJYNEWREAQW-NSHDSACASA-N 0 0 375.282 3.593 20 10 GHCDRN C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756475391 1023675167 /nfs/dbraw/zinc/67/51/67/1023675167.db2.gz PAQIYPVQIBDAIN-ZFWWWQNUSA-N 0 0 379.457 3.741 20 10 GHCDRN COC(=O)CCSc1cccc(NC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000756487214 1023681332 /nfs/dbraw/zinc/68/13/32/1023681332.db2.gz NHYHLLKNIKVAHR-UHFFFAOYSA-N 0 0 387.505 3.730 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)c1 ZINC000756496228 1023684880 /nfs/dbraw/zinc/68/48/80/1023684880.db2.gz FDJCZVYKECHRME-AWEZNQCLSA-N 0 0 385.460 3.578 20 10 GHCDRN C[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-])N(C)C ZINC000756535888 1023703484 /nfs/dbraw/zinc/70/34/84/1023703484.db2.gz SGYFCGMTJXJQSL-BDAKNGLRSA-N 0 0 380.124 3.518 20 10 GHCDRN C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756575599 1023718659 /nfs/dbraw/zinc/71/86/59/1023718659.db2.gz WHCGIHXSBQBITL-LLVKDONJSA-N 0 0 391.737 3.570 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000756590292 1023724540 /nfs/dbraw/zinc/72/45/40/1023724540.db2.gz AABZLKGEIQNBAC-IUDNXUCKSA-N 0 0 392.496 3.665 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCNc2ncc(Cl)cc2Cl)c1 ZINC000756611392 1023737503 /nfs/dbraw/zinc/73/75/03/1023737503.db2.gz VWAQHNUVBZKPDV-SNVBAGLBSA-N 0 0 384.263 3.643 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)c1 ZINC000756615985 1023739108 /nfs/dbraw/zinc/73/91/08/1023739108.db2.gz YAFSZUJPLHVWPU-INIZCTEOSA-N 0 0 397.519 3.564 20 10 GHCDRN COC(=O)c1ccc(-c2nc(CN(C)c3ccc4c(c3)OCO4)cs2)cc1 ZINC000756654819 1023756394 /nfs/dbraw/zinc/75/63/94/1023756394.db2.gz NDTWTENHRZDTMY-UHFFFAOYSA-N 0 0 382.441 3.962 20 10 GHCDRN CC(=O)c1ccc2c(c1)CCN(C(=O)NCCCSc1nccs1)CC2 ZINC000756719750 1023788810 /nfs/dbraw/zinc/78/88/10/1023788810.db2.gz CNVTVYZUEBNZTJ-UHFFFAOYSA-N 0 0 389.546 3.638 20 10 GHCDRN C[C@@H]([NH2+][C@@H](CCO)C1CC1)c1cc(Br)cc(Br)c1[O-] ZINC000756740688 1023795396 /nfs/dbraw/zinc/79/53/96/1023795396.db2.gz SPEQSALJVAXIFR-OQPBUACISA-N 0 0 393.119 3.729 20 10 GHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(COC3CCOCC3)cc2)c1 ZINC000756768274 1023807324 /nfs/dbraw/zinc/80/73/24/1023807324.db2.gz LIGXBYNIMVDYTD-MRXNPFEDSA-N 0 0 399.487 3.725 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Cc2ccn(-c3ccccc3)n2)cc1 ZINC000756907509 1023857365 /nfs/dbraw/zinc/85/73/65/1023857365.db2.gz SHZBVEHDEKRTQJ-UHFFFAOYSA-N 0 0 376.504 3.920 20 10 GHCDRN CC[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000756925010 1023869506 /nfs/dbraw/zinc/86/95/06/1023869506.db2.gz ZHMHMUBZNBVGFT-KSSFIOAISA-N 0 0 399.457 3.920 20 10 GHCDRN COC[C@]1(C)CCN(CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)C1 ZINC000830529933 1023969339 /nfs/dbraw/zinc/96/93/39/1023969339.db2.gz RSDAJUBUCJPXON-HXUWFJFHSA-N 0 0 375.900 3.684 20 10 GHCDRN COc1ccc(O)c(CNC(=O)C(C)(C)Oc2ccc(Br)cc2)c1 ZINC000830544956 1023977592 /nfs/dbraw/zinc/97/75/92/1023977592.db2.gz UVGUUWNFEJMXQW-UHFFFAOYSA-N 0 0 394.265 3.637 20 10 GHCDRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]1CC(=O)NCc1ccc(O)c(O)c1 ZINC000830558998 1023984461 /nfs/dbraw/zinc/98/44/61/1023984461.db2.gz GBWFQFPVQJMDCA-QGZVFWFLSA-N 0 0 398.459 3.596 20 10 GHCDRN Cc1cc(CC(=O)NCc2cn(C)nc2C(F)(F)F)c(C)n1-c1ccccc1 ZINC000830863652 1024198668 /nfs/dbraw/zinc/19/86/68/1024198668.db2.gz YNFJHRDSYHLUHM-UHFFFAOYSA-N 0 0 390.409 3.705 20 10 GHCDRN CN(Cc1ccccc1O)c1nnc([C@@H]2Cc3ccccc3O2)n1CC1CC1 ZINC000830863496 1024200715 /nfs/dbraw/zinc/20/07/15/1024200715.db2.gz TUTOUVKUFJJDNJ-FQEVSTJZSA-N 0 0 376.460 3.706 20 10 GHCDRN CCN(CC)c1ccc(CN(C)c2nnc([C@@H]3CCOC3)n2CC2CC2)cc1 ZINC000830965824 1024277116 /nfs/dbraw/zinc/27/71/16/1024277116.db2.gz XNHKRPRBRKCJLF-LJQANCHMSA-N 0 0 383.540 3.675 20 10 GHCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1nnc([C@H]2CCOC2)n1CC1CC1 ZINC000830965979 1024278960 /nfs/dbraw/zinc/27/89/60/1024278960.db2.gz ZLGVQYYIEVSSER-FQEVSTJZSA-N 0 0 395.551 3.819 20 10 GHCDRN C[C@@H](CC(F)(F)F)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000837354860 1024373413 /nfs/dbraw/zinc/37/34/13/1024373413.db2.gz RIOWYPIKOVVCPS-YNEHKIRRSA-N 0 0 376.394 3.644 20 10 GHCDRN c1cn2c(n1)CN(Cc1ccc(N3CCCCC3)cc1)C[C@H](COCC1CC1)C2 ZINC001138216609 1024384752 /nfs/dbraw/zinc/38/47/52/1024384752.db2.gz DHVTUNZCRVMUPE-QFIPXVFZSA-N 0 0 394.563 3.932 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@@H](C)c2c(C)noc2C)c(C)n1-c1ccc(F)cn1 ZINC000837485713 1024496823 /nfs/dbraw/zinc/49/68/23/1024496823.db2.gz QHNDUMIAUGKPBM-LBPRGKRZSA-N 0 0 399.422 3.763 20 10 GHCDRN O=C(c1c(F)ccc(O)c1O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000831412551 1024551957 /nfs/dbraw/zinc/55/19/57/1024551957.db2.gz LTKHALGOXWJWPT-KRWDZBQOSA-N 0 0 387.304 3.967 20 10 GHCDRN Cc1cc(C(=O)COC(=O)c2oc(C)nc2C)c(C)n1-c1ccc(Cl)cn1 ZINC000837560858 1024553415 /nfs/dbraw/zinc/55/34/15/1024553415.db2.gz YJQNHOLCXMLMMG-UHFFFAOYSA-N 0 0 387.823 3.787 20 10 GHCDRN C[C@@H](Cc1cnn(C)c1)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000837601198 1024577748 /nfs/dbraw/zinc/57/77/48/1024577748.db2.gz BXAVGDDHPIJDQG-HOTGVXAUSA-N 0 0 388.943 3.805 20 10 GHCDRN Cc1cc(C(=O)COC(=O)C(C)(C)c2cccnc2)c(C)n1-c1ccc(F)cn1 ZINC000837609372 1024584309 /nfs/dbraw/zinc/58/43/09/1024584309.db2.gz DRDRUNFQVCMEAZ-UHFFFAOYSA-N 0 0 395.434 3.727 20 10 GHCDRN Cc1cc(C(=O)COC(=O)[C@@H]2CCO[C@H](C)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000837615552 1024589041 /nfs/dbraw/zinc/58/90/41/1024589041.db2.gz BWLMIISTFJSTKS-UKRRQHHQSA-N 0 0 390.867 3.684 20 10 GHCDRN Cc1cc(C(=O)NO[C@@H](CO)C(C)C)c(C)n1-c1cccc(Br)c1 ZINC001141345303 1024642011 /nfs/dbraw/zinc/64/20/11/1024642011.db2.gz FSLKNCJNOGKGFX-KRWDZBQOSA-N 0 0 395.297 3.535 20 10 GHCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cc(F)cc(Cl)c1 ZINC000837705904 1024649221 /nfs/dbraw/zinc/64/92/21/1024649221.db2.gz COTHNNIAHPPBHL-UHFFFAOYSA-N 0 0 384.785 3.524 20 10 GHCDRN C[C@@H](CC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000837706815 1024650599 /nfs/dbraw/zinc/65/05/99/1024650599.db2.gz GNYUUXDPXVXVQC-AWEZNQCLSA-N 0 0 392.421 3.751 20 10 GHCDRN CC(C)c1ccsc1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837708970 1024653362 /nfs/dbraw/zinc/65/33/62/1024653362.db2.gz YZXQWYSVSCFOKZ-UHFFFAOYSA-N 0 0 380.460 3.916 20 10 GHCDRN CCN(Cc1ccccc1O)Cc1ccc(Br)cc1S(C)(=O)=O ZINC001138367366 1024732123 /nfs/dbraw/zinc/73/21/23/1024732123.db2.gz RPOUJYBHRCQLTR-UHFFFAOYSA-N 0 0 398.322 3.580 20 10 GHCDRN CCN(CC)c1ccc(CN2CCC23CN(C(=O)OC(C)(C)C)C3)c(OC)c1 ZINC001138386810 1024759625 /nfs/dbraw/zinc/75/96/25/1024759625.db2.gz WYWIHUBUAKXRRV-UHFFFAOYSA-N 0 0 389.540 3.737 20 10 GHCDRN Cc1nccnc1O[C@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141374626 1024767166 /nfs/dbraw/zinc/76/71/66/1024767166.db2.gz LLFVZHFMBGLQKG-ZDUSSCGKSA-N 0 0 398.688 3.560 20 10 GHCDRN COc1ccc(N2CCN(Cc3c(C)nn(Cc4ccccc4)c3C)CC2)cc1 ZINC001138500980 1024934287 /nfs/dbraw/zinc/93/42/87/1024934287.db2.gz IQFGFIUTYWTJHD-UHFFFAOYSA-N 0 0 390.531 3.879 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N(C)Cc3c(F)cccc3F)CC2)cc1 ZINC000838190342 1024986257 /nfs/dbraw/zinc/98/62/57/1024986257.db2.gz CTHWIAXMMXZZIV-UHFFFAOYSA-N 0 0 389.446 3.784 20 10 GHCDRN C[C@]1(F)CCCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000838192277 1024988106 /nfs/dbraw/zinc/98/81/06/1024988106.db2.gz NMQWNKXOLSDSOJ-IBGZPJMESA-N 0 0 385.430 3.790 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H](C(C)C)C2(CO)CCC2)cc1 ZINC001141444443 1025073185 /nfs/dbraw/zinc/07/31/85/1025073185.db2.gz NWPIOHLOKNUIMX-QHCPKHFHSA-N 0 0 396.531 3.753 20 10 GHCDRN O=C(NCCCSc1nccs1)NCc1ccc(OC(F)F)c(F)c1 ZINC000838514675 1025187275 /nfs/dbraw/zinc/18/72/75/1025187275.db2.gz IHWGHUWKYVBBBC-UHFFFAOYSA-N 0 0 391.440 3.865 20 10 GHCDRN C[C@@H](NC(=O)N1CC[C@](C)(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000838560846 1025209726 /nfs/dbraw/zinc/20/97/26/1025209726.db2.gz ZSXCWIWAKLNBJJ-VFNWGFHPSA-N 0 0 375.513 3.577 20 10 GHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@H](CCCO)C3)cc2Cl)C1 ZINC000838578880 1025219285 /nfs/dbraw/zinc/21/92/85/1025219285.db2.gz OHEJIQLOTHUWNR-SJORKVTESA-N 0 0 393.959 3.880 20 10 GHCDRN C[C@@H](CCO)CCNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000838579218 1025219727 /nfs/dbraw/zinc/21/97/27/1025219727.db2.gz RFIDNLCSEVOSTB-HZPDHXFCSA-N 0 0 381.948 3.784 20 10 GHCDRN Cc1cc(CC(=O)N2CCC[C@@H](C3(C)OCCO3)C2)c(C)n1-c1ccccc1 ZINC000832119503 1025234611 /nfs/dbraw/zinc/23/46/11/1025234611.db2.gz HDVGIMLQODZCBG-HXUWFJFHSA-N 0 0 382.504 3.638 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C ZINC000838654147 1025268544 /nfs/dbraw/zinc/26/85/44/1025268544.db2.gz WYKGXKCHKRHWEM-LSDHHAIUSA-N 0 0 379.501 3.616 20 10 GHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000838688128 1025297168 /nfs/dbraw/zinc/29/71/68/1025297168.db2.gz BEODLTSBWPZUBZ-RISCZKNCSA-N 0 0 393.285 3.589 20 10 GHCDRN C[C@@H]1CC[C@]2(CCN(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)C2)C1 ZINC000838740352 1025338454 /nfs/dbraw/zinc/33/84/54/1025338454.db2.gz VKEPRBPLVYEZMU-VFNWGFHPSA-N 0 0 393.478 3.523 20 10 GHCDRN CCc1ccc(NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000838746405 1025341873 /nfs/dbraw/zinc/34/18/73/1025341873.db2.gz IFMKKBSOZUIPRS-UHFFFAOYSA-N 0 0 375.419 3.686 20 10 GHCDRN CCC1(CC)CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000838745754 1025342041 /nfs/dbraw/zinc/34/20/41/1025342041.db2.gz BBJZYYPJMUGPJQ-UHFFFAOYSA-N 0 0 381.467 3.523 20 10 GHCDRN CC(=O)NC1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)CC1 ZINC000838812619 1025381481 /nfs/dbraw/zinc/38/14/81/1025381481.db2.gz MDOVETXSQHRLIN-UHFFFAOYSA-N 0 0 394.357 3.540 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2nc(CC)sc2c1 ZINC000832373468 1025499648 /nfs/dbraw/zinc/49/96/48/1025499648.db2.gz XAXVUJWATRMZDP-UHFFFAOYSA-N 0 0 397.500 3.942 20 10 GHCDRN COCCO[C@H]1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000839029540 1025529979 /nfs/dbraw/zinc/52/99/79/1025529979.db2.gz GTIYKRDZVJZWJA-KRWDZBQOSA-N 0 0 397.357 3.677 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(C)(C)c1ccc2c(c1)OCCO2 ZINC001162108568 1025610288 /nfs/dbraw/zinc/61/02/88/1025610288.db2.gz RWDMPWDGCSKDMX-KRWDZBQOSA-N 0 0 396.531 3.857 20 10 GHCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(F)cc1N1CCOCC1 ZINC000839182879 1025693800 /nfs/dbraw/zinc/69/38/00/1025693800.db2.gz QVOJYBDIEYOANE-UHFFFAOYSA-N 0 0 399.466 3.568 20 10 GHCDRN Cc1cc(C(=O)OCc2nnc(C)o2)c(C)n1-c1ccc(Br)cc1 ZINC000839208466 1025726275 /nfs/dbraw/zinc/72/62/75/1025726275.db2.gz CVZGWVDDWMPGKH-UHFFFAOYSA-N 0 0 390.237 3.905 20 10 GHCDRN CN(Cc1cccc(F)c1)C(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000839211421 1025727917 /nfs/dbraw/zinc/72/79/17/1025727917.db2.gz CFBCDLGLQKTWIV-UHFFFAOYSA-N 0 0 398.478 3.851 20 10 GHCDRN Cc1ccc(C)c(CN(C)C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000839236893 1025749188 /nfs/dbraw/zinc/74/91/88/1025749188.db2.gz YNRBKSILTSFENA-UHFFFAOYSA-N 0 0 393.531 3.519 20 10 GHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000839242699 1025751417 /nfs/dbraw/zinc/75/14/17/1025751417.db2.gz OQMVLUQKGQEPDM-NRFANRHFSA-N 0 0 393.531 3.506 20 10 GHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CCCCc1ccccc1 ZINC000839275017 1025771784 /nfs/dbraw/zinc/77/17/84/1025771784.db2.gz KBTIARYFSDOHKX-UHFFFAOYSA-N 0 0 382.504 3.612 20 10 GHCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N(C)Cc1ccccc1Cl ZINC000839339850 1025822580 /nfs/dbraw/zinc/82/25/80/1025822580.db2.gz PZCCBLHCRZHRDF-UHFFFAOYSA-N 0 0 388.895 3.833 20 10 GHCDRN COc1ccc2ncc([N+](=O)[O-])c(NCc3c(O)ccc4c3CCCC4)c2c1 ZINC001162626305 1025838298 /nfs/dbraw/zinc/83/82/98/1025838298.db2.gz PZJYIDLWPDXRQC-UHFFFAOYSA-N 0 0 379.416 3.770 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cc4cc(O)ccc4nc3C)C2)cc1 ZINC001162718634 1025890523 /nfs/dbraw/zinc/89/05/23/1025890523.db2.gz NIUQVBNCMQWBMP-MRXNPFEDSA-N 0 0 391.471 3.514 20 10 GHCDRN COC[C@@H](C)[N@H+](Cc1cccc(OC)c1)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139132032 1025944547 /nfs/dbraw/zinc/94/45/47/1025944547.db2.gz SPXMSOJSHHWMAF-MRXNPFEDSA-N 0 0 397.471 3.853 20 10 GHCDRN O=C(c1c(F)ccc(O)c1O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000832856281 1026040100 /nfs/dbraw/zinc/04/01/00/1026040100.db2.gz QDJXLBGAHVJXPZ-LBPRGKRZSA-N 0 0 394.240 3.704 20 10 GHCDRN COc1cc(Cl)c(F)c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000839581036 1026078181 /nfs/dbraw/zinc/07/81/81/1026078181.db2.gz WXGCFXLOMOUFNF-ZDUSSCGKSA-N 0 0 392.858 3.815 20 10 GHCDRN CC(C)Oc1cc(C(=O)NCCCSc2nccs2)ccc1[N+](=O)[O-] ZINC000839680539 1026195119 /nfs/dbraw/zinc/19/51/19/1026195119.db2.gz IWZNUHWHIPNFKD-UHFFFAOYSA-N 0 0 381.479 3.751 20 10 GHCDRN Cc1cc(NCc2ccc(N3CCN(C)CC3)c(F)c2)ccc1N1CCCC1=O ZINC001461076430 1069377950 /nfs/dbraw/zinc/37/79/50/1069377950.db2.gz SHNKLXUZYUIVDR-UHFFFAOYSA-N 0 0 396.510 3.625 20 10 GHCDRN Cc1cc(CNC(=O)c2c(F)ccc(O)c2O)cc(NC(=O)OC(C)(C)C)c1 ZINC000839786408 1026266657 /nfs/dbraw/zinc/26/66/57/1026266657.db2.gz OZODKBXKGZCRLH-UHFFFAOYSA-N 0 0 390.411 3.822 20 10 GHCDRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(C(=O)C3=CC(=O)CS3)C2)C1 ZINC000839787795 1026269562 /nfs/dbraw/zinc/26/95/62/1026269562.db2.gz SBHVYFXZXANCFJ-KGLIPLIRSA-N 0 0 380.510 3.563 20 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ZINC001164256347 1026466792 /nfs/dbraw/zinc/46/67/92/1026466792.db2.gz PTSPHSFZJUFIFT-XYJFISCASA-N 0 0 381.520 3.955 20 10 GHCDRN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001139681596 1026535747 /nfs/dbraw/zinc/53/57/47/1026535747.db2.gz UNCFYCORAGQDRT-HXUWFJFHSA-N 0 0 382.451 3.893 20 10 GHCDRN CCOC(=O)C(=Cc1cc(C)c(C)nc1N[C@H](C)C(=O)N(CC)CC)N=[N+]=[N-] ZINC001164605805 1026565900 /nfs/dbraw/zinc/56/59/00/1026565900.db2.gz IHAQMYXYNXYQKC-VQCBNXJZSA-N 0 0 388.472 3.582 20 10 GHCDRN COc1ccc2c(c1)c1c(n2C)CCN(C(F)(F)c2ccc(Cl)nn2)C1 ZINC001165094440 1026603438 /nfs/dbraw/zinc/60/34/38/1026603438.db2.gz RNXNQRFYACYKAM-UHFFFAOYSA-N 0 0 378.810 3.738 20 10 GHCDRN Oc1cccc(Br)c1CN1CCc2ncc(Br)cc2C1 ZINC001140101599 1026880907 /nfs/dbraw/zinc/88/09/07/1026880907.db2.gz YVWXCUMCIASZQK-UHFFFAOYSA-N 0 0 398.098 3.871 20 10 GHCDRN C/C=C\c1ccc(OC[C@@H](O)CSc2ncc(C(=O)OC)s2)c(OC)c1 ZINC000834383968 1026962517 /nfs/dbraw/zinc/96/25/17/1026962517.db2.gz YIRCWBQSIGXQGU-DSYXLKISSA-N 0 0 395.502 3.503 20 10 GHCDRN COC(=O)c1cc(OCc2cc(=O)oc3cc4c(cc23)CCC4)ccc1N(C)C ZINC001166713427 1027065223 /nfs/dbraw/zinc/06/52/23/1027065223.db2.gz FQOSWRFWRIHVOW-UHFFFAOYSA-N 0 0 393.439 3.713 20 10 GHCDRN CCON(CC)C(=O)CNC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C ZINC001166904398 1027144398 /nfs/dbraw/zinc/14/43/98/1027144398.db2.gz GXUQYPHEKJQMQN-UHFFFAOYSA-N 0 0 385.508 3.747 20 10 GHCDRN COC(=O)c1cc(NC(=O)NCc2ccc3c(c2)CCCN3C)c(C)cc1C ZINC001203439889 1027338869 /nfs/dbraw/zinc/33/88/69/1027338869.db2.gz DPDRRECKDKCQFA-UHFFFAOYSA-N 0 0 381.476 3.794 20 10 GHCDRN CN(C)c1ccc(CNC(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000840243963 1027374274 /nfs/dbraw/zinc/37/42/74/1027374274.db2.gz HVYGISUOLIOFQC-NRFANRHFSA-N 0 0 379.504 3.816 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCc1nc(C)c2ccccc2n1 ZINC000840283032 1027407308 /nfs/dbraw/zinc/40/73/08/1027407308.db2.gz JMRPDQANMACFBQ-INIZCTEOSA-N 0 0 391.519 3.743 20 10 GHCDRN CC[C@@H](NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)c1c(C)nn(C)c1C ZINC000840314379 1027443368 /nfs/dbraw/zinc/44/33/68/1027443368.db2.gz JXAXODFRKQESQX-MGPUTAFESA-N 0 0 385.556 3.793 20 10 GHCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@]2(C1)CCCN(c1ncccn1)C2 ZINC001203575653 1027445297 /nfs/dbraw/zinc/44/52/97/1027445297.db2.gz WCWGLPUQTGRQCB-IBGZPJMESA-N 0 0 393.318 3.982 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000840319209 1027446131 /nfs/dbraw/zinc/44/61/31/1027446131.db2.gz DHSLZQDKDIUTHK-INIZCTEOSA-N 0 0 392.503 3.745 20 10 GHCDRN CN(C)c1ccc(/C=C\CNc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 ZINC001203625578 1027486802 /nfs/dbraw/zinc/48/68/02/1027486802.db2.gz RMKBAQXGSMMFDW-SREVYHEPSA-N 0 0 387.549 3.955 20 10 GHCDRN C[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)c1csnn1 ZINC000840367834 1027491134 /nfs/dbraw/zinc/49/11/34/1027491134.db2.gz QHHQPKCPHWBVLN-CHWSQXEVSA-N 0 0 393.944 3.988 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC1CCC(OC(F)F)CC1 ZINC000840385071 1027502107 /nfs/dbraw/zinc/50/21/07/1027502107.db2.gz DUAZRHFKAYHADY-NXVRBGIVSA-N 0 0 383.483 3.842 20 10 GHCDRN Cc1cc(N2CCN(Cc3cc(Cl)ccc3O)CC2)n(-c2ccccc2)n1 ZINC001203664715 1027517200 /nfs/dbraw/zinc/51/72/00/1027517200.db2.gz RKFCUCKVUXMLQC-UHFFFAOYSA-N 0 0 382.895 3.862 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CSc1nccn1C(C)(C)C ZINC000840556632 1027614680 /nfs/dbraw/zinc/61/46/80/1027614680.db2.gz MDRIVXOEMLAIRD-MRXNPFEDSA-N 0 0 388.581 3.852 20 10 GHCDRN CCN(CC)c1ccc(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1 ZINC001203941742 1027737406 /nfs/dbraw/zinc/73/74/06/1027737406.db2.gz GFTATDQAERESEB-UHFFFAOYSA-N 0 0 393.457 3.664 20 10 GHCDRN CCN(CC)c1ccc(CN2CCN(c3ncc(C(F)(F)F)cn3)CC2)cc1 ZINC001203941683 1027738165 /nfs/dbraw/zinc/73/81/65/1027738165.db2.gz FHLRNXPYRACSST-UHFFFAOYSA-N 0 0 393.457 3.664 20 10 GHCDRN Cc1ccc(S(=O)(=O)N(c2ccc(N)cc2)c2cccc(CO)c2C)cc1 ZINC001211166608 1027818841 /nfs/dbraw/zinc/81/88/41/1027818841.db2.gz WDFDXSPEEOOOOY-UHFFFAOYSA-N 0 0 382.485 3.905 20 10 GHCDRN C[C@H](NC(=O)NCCNc1ncc(Cl)cc1Cl)c1ccc(N(C)C)cc1 ZINC001211200824 1027835946 /nfs/dbraw/zinc/83/59/46/1027835946.db2.gz BLNMACIJPRUMCH-LBPRGKRZSA-N 0 0 396.322 3.927 20 10 GHCDRN CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000840841498 1027873613 /nfs/dbraw/zinc/87/36/13/1027873613.db2.gz CKJLCCGFHPQVPF-NSHDSACASA-N 0 0 398.868 3.598 20 10 GHCDRN CCOC(=O)C1CCC(NC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)CC1 ZINC001142009747 1027875469 /nfs/dbraw/zinc/87/54/69/1027875469.db2.gz UWTBNUTUYHIVLY-UHFFFAOYSA-N 0 0 396.487 3.758 20 10 GHCDRN C[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1cc(Br)c(F)cc1[O-] ZINC000840879261 1027916273 /nfs/dbraw/zinc/91/62/73/1027916273.db2.gz CVCLIEOVBOCXKI-PWSUYJOCSA-N 0 0 386.236 3.860 20 10 GHCDRN COCc1cc(O)ccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1C ZINC000840915387 1027952271 /nfs/dbraw/zinc/95/22/71/1027952271.db2.gz PYSUORZQMDDODR-UHFFFAOYSA-N 0 0 375.368 3.667 20 10 GHCDRN CCOc1ccc(NCc2c(O)cc(C)cc2Cl)cc1S(=O)(=O)N(C)C ZINC000840944394 1027976144 /nfs/dbraw/zinc/97/61/44/1027976144.db2.gz GZMFYCAODXWFPV-UHFFFAOYSA-N 0 0 398.912 3.615 20 10 GHCDRN Nc1ccc(NC(=O)C(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000841029287 1028056185 /nfs/dbraw/zinc/05/61/85/1028056185.db2.gz LYBNTGUNFLIYMM-KRWDZBQOSA-N 0 0 391.393 3.980 20 10 GHCDRN Cc1cc(CNS(=O)(=O)c2cc(F)c(F)cc2F)c(C)n1-c1ccccc1 ZINC001213352120 1028129175 /nfs/dbraw/zinc/12/91/75/1028129175.db2.gz WIGHOULQSQVCLV-UHFFFAOYSA-N 0 0 394.418 3.990 20 10 GHCDRN Cc1ccc(N)cc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000841098412 1028132613 /nfs/dbraw/zinc/13/26/13/1028132613.db2.gz XJJCPGALSMKCHZ-UHFFFAOYSA-N 0 0 381.476 3.583 20 10 GHCDRN C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)Nc3ccc(N)cc3)c2)C1 ZINC000841102656 1028137227 /nfs/dbraw/zinc/13/72/27/1028137227.db2.gz HXHDKOCCPUATTI-MGPUTAFESA-N 0 0 381.476 3.941 20 10 GHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1nc2c(s1)CCC2 ZINC000841111965 1028153792 /nfs/dbraw/zinc/15/37/92/1028153792.db2.gz UKSAHGJOPKCZRE-UHFFFAOYSA-N 0 0 393.459 3.632 20 10 GHCDRN Nc1ccc(NC(=O)C(=O)N(Cc2ccccc2C(F)(F)F)CC2CC2)cc1 ZINC000841129619 1028186843 /nfs/dbraw/zinc/18/68/43/1028186843.db2.gz XSCJBQHLUFJKIZ-UHFFFAOYSA-N 0 0 391.393 3.665 20 10 GHCDRN COCCCCN(C(=O)/C=C/c1cccnc1)c1ccc(Br)cn1 ZINC000841215782 1028291420 /nfs/dbraw/zinc/29/14/20/1028291420.db2.gz QVYFXPGIQJPANC-RMKNXTFCSA-N 0 0 390.281 3.712 20 10 GHCDRN CC(C)(C)OC(=O)CC[C@@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000841444137 1028638747 /nfs/dbraw/zinc/63/87/47/1028638747.db2.gz NDKIWFHVDFGCLC-KXKDPZRNSA-N 0 0 375.465 3.614 20 10 GHCDRN O=C1/C(=C/c2ccc3c(c2)OCCCCO3)SC(=S)N1Cc1ccon1 ZINC000841498204 1028698281 /nfs/dbraw/zinc/69/82/81/1028698281.db2.gz MIQGMZHKGWMHPI-YBEGLDIGSA-N 0 0 388.470 3.627 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)Cc1cccc2cccnc21 ZINC000841568635 1028736208 /nfs/dbraw/zinc/73/62/08/1028736208.db2.gz DGYLDERHQRXJPA-QGZVFWFLSA-N 0 0 397.544 3.660 20 10 GHCDRN Cc1ncccc1OC[C@@H]1CCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841580081 1028743390 /nfs/dbraw/zinc/74/33/90/1028743390.db2.gz HMXUNDKOJPUDBU-NRFANRHFSA-N 0 0 392.503 3.519 20 10 GHCDRN CSc1ccc(N(C)S(=O)(=O)Cc2ccc(N)cc2)cc1C(F)(F)F ZINC001214470631 1028749435 /nfs/dbraw/zinc/74/94/35/1028749435.db2.gz IXFTVUCTCCAAOF-UHFFFAOYSA-N 0 0 390.452 3.976 20 10 GHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000841653916 1028803261 /nfs/dbraw/zinc/80/32/61/1028803261.db2.gz QTSWIGQXGLMTQP-HNNXBMFYSA-N 0 0 380.492 3.698 20 10 GHCDRN COc1ccc(N[C@@H](C)c2ccc(Cl)cc2O)cc1OCC(=O)NC1CC1 ZINC000841749700 1028911143 /nfs/dbraw/zinc/91/11/43/1028911143.db2.gz HJEVVDZZPDUHRV-LBPRGKRZSA-N 0 0 390.867 3.885 20 10 GHCDRN COC(=O)[C@@H](C)c1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000841770780 1028930069 /nfs/dbraw/zinc/93/00/69/1028930069.db2.gz KDBAWGWVENXNRO-AWEZNQCLSA-N 0 0 382.460 3.869 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)N[C@@H]3CCCc4cc(N)ccc43)CC2)cc1 ZINC000841778502 1028932606 /nfs/dbraw/zinc/93/26/06/1028932606.db2.gz CFMQRIOTHODLCD-JOCHJYFZSA-N 0 0 394.519 3.623 20 10 GHCDRN COCCOc1cncc(-c2nc(-c3ccc(-n4c(C)ccc4C)cc3)no2)n1 ZINC001214906327 1028960939 /nfs/dbraw/zinc/96/09/39/1028960939.db2.gz XFFOPLFRLMMNOJ-UHFFFAOYSA-N 0 0 391.431 3.626 20 10 GHCDRN Cc1cc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC000841821148 1028967452 /nfs/dbraw/zinc/96/74/52/1028967452.db2.gz BOEZKWISLGBALM-UHFFFAOYSA-N 0 0 383.448 3.882 20 10 GHCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(N(C)C(C)=O)nc2)cc1 ZINC000841823416 1028968143 /nfs/dbraw/zinc/96/81/43/1028968143.db2.gz ZFKVYULLCNSTEV-UHFFFAOYSA-N 0 0 383.496 3.574 20 10 GHCDRN Nc1ccc(CCNC(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)cc1 ZINC000841960713 1029015714 /nfs/dbraw/zinc/01/57/14/1029015714.db2.gz VJBJOEXRRPBPSR-SFHVURJKSA-N 0 0 393.409 3.613 20 10 GHCDRN CC[C@@H](COC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OC ZINC000842064770 1029050876 /nfs/dbraw/zinc/05/08/76/1029050876.db2.gz BGNJELSGKGTVLK-LQELWAHVSA-N 0 0 399.559 3.698 20 10 GHCDRN Cc1ccc(-c2noc(-c3cccc(O)c3O)n2)cc1I ZINC001215145887 1029059549 /nfs/dbraw/zinc/05/95/49/1029059549.db2.gz PHYFMHJEDHZYMG-UHFFFAOYSA-N 0 0 394.168 3.728 20 10 GHCDRN Oc1ccc(-c2nc(-c3ccc(OC4COC4)c(C(F)(F)F)c3)no2)cc1O ZINC001215304588 1029141173 /nfs/dbraw/zinc/14/11/73/1029141173.db2.gz UDHNEDRMIGWSOP-UHFFFAOYSA-N 0 0 394.305 3.611 20 10 GHCDRN Oc1ccc(-c2nc(-c3cccc(F)c3I)no2)cc1O ZINC001215304117 1029141396 /nfs/dbraw/zinc/14/13/96/1029141396.db2.gz FKPMSTIEGQHQMQ-UHFFFAOYSA-N 0 0 398.131 3.559 20 10 GHCDRN CCOc1ccc(Nc2c(CC(N)=O)cccc2C(=O)c2ccccc2)c(C)n1 ZINC001215579231 1029291747 /nfs/dbraw/zinc/29/17/47/1029291747.db2.gz KBYSISCXEUZPAM-UHFFFAOYSA-N 0 0 389.455 3.791 20 10 GHCDRN Cc1cc(C(=O)Cn2nc(C)cc(C(F)(F)F)c2=O)c(C)n1-c1ccccc1 ZINC000842592361 1029401717 /nfs/dbraw/zinc/40/17/17/1029401717.db2.gz JOONYJCTBMUWDV-UHFFFAOYSA-N 0 0 389.377 3.861 20 10 GHCDRN CN(c1c(Cl)cccc1C(F)(F)F)S(=O)(=O)Cc1ccc(N)cc1 ZINC001215970698 1029475194 /nfs/dbraw/zinc/47/51/94/1029475194.db2.gz XQTFIFRNQWAOIU-UHFFFAOYSA-N 0 0 378.803 3.907 20 10 GHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cc(C)ccc3NC3CC3)C2)cc1 ZINC001142798526 1029481402 /nfs/dbraw/zinc/48/14/02/1029481402.db2.gz QTBMDFROKCCFQT-QGZVFWFLSA-N 0 0 379.504 3.834 20 10 GHCDRN CC[C@H]([NH2+]Cc1cc(C)cc(Br)c1[O-])C(=O)NCc1cccs1 ZINC000842748575 1029557526 /nfs/dbraw/zinc/55/75/26/1029557526.db2.gz QKSMWQLXZWHAMO-HNNXBMFYSA-N 0 0 397.338 3.709 20 10 GHCDRN COc1ccc(N2CC[C@@H](COC(=O)c3ccc(O[C@H]4CCOC4)cc3)C2)cc1 ZINC000842875639 1029652053 /nfs/dbraw/zinc/65/20/53/1029652053.db2.gz NHQOPGMLGQYCGL-VGSWGCGISA-N 0 0 397.471 3.546 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000842876323 1029653838 /nfs/dbraw/zinc/65/38/38/1029653838.db2.gz WJNPQAOFCOUQSU-ZDUSSCGKSA-N 0 0 380.366 3.792 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3ccc(N4CCCC4=O)cc3)C2)cc1 ZINC000842878456 1029655657 /nfs/dbraw/zinc/65/56/57/1029655657.db2.gz BSTNPCPVGXHEAY-KRWDZBQOSA-N 0 0 394.471 3.505 20 10 GHCDRN COc1ccc(N2CC[C@H](COC(=O)c3cccc([C@H]4CCOC4)c3)C2)cc1 ZINC000842880300 1029658182 /nfs/dbraw/zinc/65/81/82/1029658182.db2.gz WJMLCPMAUMOHSD-PXNSSMCTSA-N 0 0 381.472 3.882 20 10 GHCDRN CC[C@H]([NH2+]C[C@@H](Cc1ccc(F)cc1C)C(=O)NC)c1ccc(F)cc1[O-] ZINC000842885841 1029662312 /nfs/dbraw/zinc/66/23/12/1029662312.db2.gz QDZCJXDEFROFAO-BEFAXECRSA-N 0 0 376.447 3.624 20 10 GHCDRN C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001143175219 1029883916 /nfs/dbraw/zinc/88/39/16/1029883916.db2.gz OZDKJNDESTXYIL-MNOVXSKESA-N 0 0 394.493 3.734 20 10 GHCDRN CC(C)(C)C[C@H]1NC(=O)N(C2CCN(c3ccc(OC(F)F)cc3)CC2)C1=O ZINC000843307023 1029903913 /nfs/dbraw/zinc/90/39/13/1029903913.db2.gz MDPALSOCKRLHFL-MRXNPFEDSA-N 0 0 395.450 3.613 20 10 GHCDRN O=[N+]([O-])c1cc(CN2CCc3cc(Cl)nnc3C2)ccc1N1CCCCC1 ZINC000843418433 1029994257 /nfs/dbraw/zinc/99/42/57/1029994257.db2.gz MFIUASIOFZXEAE-UHFFFAOYSA-N 0 0 387.871 3.587 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NC[C@]2(C)CCCC[C@@H]2O)ccc1C ZINC001149147270 1030075157 /nfs/dbraw/zinc/07/51/57/1030075157.db2.gz JVSCAKXVGHBEKZ-GMAHTHKFSA-N 0 0 382.504 3.886 20 10 GHCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NC[C@@]2(C)CCCC[C@@H]2O)ccc1C ZINC001149147271 1030075836 /nfs/dbraw/zinc/07/58/36/1030075836.db2.gz JVSCAKXVGHBEKZ-JTHBVZDNSA-N 0 0 382.504 3.886 20 10 GHCDRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001149240812 1030102013 /nfs/dbraw/zinc/10/20/13/1030102013.db2.gz DSHYPAGZHZIAHE-QYOLQKOISA-N 0 0 389.498 3.883 20 10 GHCDRN CCc1nc2c(nccc2C(=O)N(Cc2ccco2)Cc2ccccc2O)[nH]1 ZINC001149856889 1030327107 /nfs/dbraw/zinc/32/71/07/1030327107.db2.gz FHRCRWHWEUDCRD-UHFFFAOYSA-N 0 0 376.416 3.662 20 10 GHCDRN CCCC[C@@H](CCC)NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001222971616 1030373897 /nfs/dbraw/zinc/37/38/97/1030373897.db2.gz OQPPGUIUWOJTSU-LJQANCHMSA-N 0 0 388.556 3.546 20 10 GHCDRN COc1ccc(N2CCN(C(=O)c3cnc(CC(C)(C)C)s3)CC2)cc1F ZINC001150239334 1030460563 /nfs/dbraw/zinc/46/05/63/1030460563.db2.gz DZFKZCJLCZSDLX-UHFFFAOYSA-N 0 0 391.512 3.842 20 10 GHCDRN Cc1cc(CCNC(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)c(C)n1-c1ccccc1 ZINC001223301367 1030517361 /nfs/dbraw/zinc/51/73/61/1030517361.db2.gz HLZRXXIWPGORIU-YPAWHYETSA-N 0 0 381.520 3.893 20 10 GHCDRN CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Br)cc(F)c1[O-] ZINC001276881062 1030523740 /nfs/dbraw/zinc/52/37/40/1030523740.db2.gz GPEZZESEXATNBV-IUIKQTSFSA-N 0 0 399.304 3.658 20 10 GHCDRN CN(C(=O)c1csc2c1CCN(C(=O)OC(C)(C)C)C2)c1ccccc1N ZINC001150822587 1030675442 /nfs/dbraw/zinc/67/54/42/1030675442.db2.gz ZIMXFEAHGDQYJQ-UHFFFAOYSA-N 0 0 387.505 3.900 20 10 GHCDRN Cc1cc(CNC(=O)NCCC(=O)NC2CCCCC2)c(C)n1-c1ccccc1 ZINC001224193361 1030921732 /nfs/dbraw/zinc/92/17/32/1030921732.db2.gz BOMACSJYYTVRTD-UHFFFAOYSA-N 0 0 396.535 3.732 20 10 GHCDRN COc1ccc(N(C)CCN(C)C(=O)NCc2ccccc2OC(C)C)cc1 ZINC001224210487 1030927824 /nfs/dbraw/zinc/92/78/24/1030927824.db2.gz ANAPFQRRPREEJJ-UHFFFAOYSA-N 0 0 385.508 3.760 20 10 GHCDRN C[C@H](NC(=O)[C@@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2)c1ccccc1O ZINC001151900540 1031044472 /nfs/dbraw/zinc/04/44/72/1031044472.db2.gz SKNZLWHCYCQLML-BTCOZLQPSA-N 0 0 394.471 3.618 20 10 GHCDRN CC(C)(C)Oc1ccccc1CNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001224714508 1031085118 /nfs/dbraw/zinc/08/51/18/1031085118.db2.gz OXZWGOZVGRYNAR-UHFFFAOYSA-N 0 0 397.519 3.700 20 10 GHCDRN COc1ccc(N2CCC(NC(=O)Nc3c(C)cnc4ccccc43)CC2)cc1 ZINC001218952741 1031172509 /nfs/dbraw/zinc/17/25/09/1031172509.db2.gz JOSNQARKXHTOJH-UHFFFAOYSA-N 0 0 390.487 3.764 20 10 GHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H](F)CC1CCCCC1 ZINC001152400729 1031220408 /nfs/dbraw/zinc/22/04/08/1031220408.db2.gz FGNARUDLYYMQMV-MRXNPFEDSA-N 0 0 385.863 3.856 20 10 GHCDRN Cc1nnc2n1C[C@@H](C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1)CC2 ZINC001152401676 1031220835 /nfs/dbraw/zinc/22/08/35/1031220835.db2.gz OFUYRIQDNWOLPC-UZLBHIALSA-N 0 0 390.487 3.645 20 10 GHCDRN Cc1noc(C)c1[C@H](C)NC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001219188889 1031297185 /nfs/dbraw/zinc/29/71/85/1031297185.db2.gz CNIBHKJBFCBWRD-LBPRGKRZSA-N 0 0 376.420 3.884 20 10 GHCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)N[C@H](CCO)c1ccccc1 ZINC001219189939 1031297822 /nfs/dbraw/zinc/29/78/22/1031297822.db2.gz SUBQVKIYCYRYTF-QGZVFWFLSA-N 0 0 387.443 3.642 20 10 GHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1nc2ccc(Cl)nc2s1 ZINC001219358972 1031376023 /nfs/dbraw/zinc/37/60/23/1031376023.db2.gz MJJYAKDPBYFIJU-QMMMGPOBSA-N 0 0 378.841 3.509 20 10 GHCDRN CNc1cc(C(=O)N(c2ccc(N)cc2)c2ccc3ccccc3c2N)n(C)n1 ZINC001219477291 1031447147 /nfs/dbraw/zinc/44/71/47/1031447147.db2.gz TVIZHDQTRKMVRE-UHFFFAOYSA-N 0 0 386.459 3.758 20 10 GHCDRN CC[C@H](C)NC(=O)CCNC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001225624999 1031515694 /nfs/dbraw/zinc/51/56/94/1031515694.db2.gz QUDSOFQIDJDXTD-INIZCTEOSA-N 0 0 384.524 3.507 20 10 GHCDRN O=C(NCc1ccc(NC(=O)c2ccco2)cc1)NCc1cc(Cl)ccc1O ZINC001225677803 1031536640 /nfs/dbraw/zinc/53/66/40/1031536640.db2.gz RMDLDFVJOIQHEI-UHFFFAOYSA-N 0 0 399.834 3.890 20 10 GHCDRN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@]23CCN(CC=C(C)C)C3=O)c1O ZINC001277066901 1031562556 /nfs/dbraw/zinc/56/25/56/1031562556.db2.gz KYGYLEHHIXPBSS-FQEVSTJZSA-N 0 0 378.900 3.587 20 10 GHCDRN Cc1cc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc([N+](=O)[O-])c1 ZINC001220409408 1031930516 /nfs/dbraw/zinc/93/05/16/1031930516.db2.gz FLJJLPINJRNDCT-OAHLLOKOSA-N 0 0 384.436 3.623 20 10 GHCDRN Nc1ccc(CC(=O)N2CCN=C2CN(Cc2ccccc2)c2ccccc2)cc1 ZINC001220443540 1031943760 /nfs/dbraw/zinc/94/37/60/1031943760.db2.gz NZCRYUVUXUKFCL-UHFFFAOYSA-N 0 0 398.510 3.759 20 10 GHCDRN COc1ccc2cc(CC[C@H](C)Oc3c(O)c(O)c(O)c(O)c3O)ccc2c1 ZINC001226466981 1031970005 /nfs/dbraw/zinc/97/00/05/1031970005.db2.gz CQOFMVGFVPJQLN-NSHDSACASA-N 0 0 386.400 3.777 20 10 GHCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)c1cc2ccccc2nc1N ZINC001154282191 1032019663 /nfs/dbraw/zinc/01/96/63/1032019663.db2.gz MOTDFSMSFMOBPG-RHIPAHESSA-N 0 0 383.415 3.784 20 10 GHCDRN COC(=O)c1cc(Cl)ncc1C(F)(F)N(C)Cc1ccc(N(C)C)cc1 ZINC001156924244 1033321653 /nfs/dbraw/zinc/32/16/53/1033321653.db2.gz STGBXZXYVAJYTF-UHFFFAOYSA-N 0 0 383.826 3.769 20 10 GHCDRN O=C(NCc1c(O)ccc2ccccc21)c1ccn(-c2c(F)cccc2F)n1 ZINC001157041537 1033384136 /nfs/dbraw/zinc/38/41/36/1033384136.db2.gz IQCPHIBECZCBLM-UHFFFAOYSA-N 0 0 379.366 3.939 20 10 GHCDRN CC(C)OC[C@@H]1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CCO1 ZINC001205456804 1033420390 /nfs/dbraw/zinc/42/03/90/1033420390.db2.gz JFKNMMDFHKJRRB-QHCPKHFHSA-N 0 0 380.532 3.875 20 10 GHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)c1nc(Cl)nc2[nH]ccc21 ZINC001157135644 1033429913 /nfs/dbraw/zinc/42/99/13/1033429913.db2.gz VYGNJTXKAKIMCC-INIZCTEOSA-N 0 0 384.867 3.939 20 10 GHCDRN O=C1N(CCC(F)(F)F)CC[C@@]12CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C2 ZINC001277387572 1033482205 /nfs/dbraw/zinc/48/22/05/1033482205.db2.gz KJZKVWRGHBEFOY-MRXNPFEDSA-N 0 0 394.796 3.562 20 10 GHCDRN O=C1N(CCC(F)(F)F)CC[C@]12CCC[N@H+]2Cc1cc(Cl)cc(F)c1[O-] ZINC001277388619 1033488892 /nfs/dbraw/zinc/48/88/92/1033488892.db2.gz XRPGGMUVIXQRGE-MRXNPFEDSA-N 0 0 394.796 3.704 20 10 GHCDRN Oc1cc(O)c(CCNC(F)(F)c2ccc(Cl)nc2C(F)(F)F)cc1O ZINC001157247605 1033491850 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LFDCMOJIKWNCPR-UHFFFAOYSA-N 0 0 391.866 3.999 20 10 GHCDRN