smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)c1cc(Cl)cc(CN2CCC(c3nnc4n3CCCC4)CC2)c1[O-] ZINC000274982553 835863770 /nfs/dbraw/zinc/86/37/70/835863770.db2.gz MNOQXTNZXNWSJR-UHFFFAOYSA-N -1 3 388.899 3.556 20 10 GHCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC001167742003 840538650 /nfs/dbraw/zinc/53/86/50/840538650.db2.gz VWQNCTUZQIPVAE-QUCCMNQESA-N -1 3 389.879 3.941 20 10 GHCDHM O=C([C@H]1CC12CCN(Cc1c([O-])ccc(Cl)c1F)CC2)N1CCCCC1 ZINC000365254999 842153351 /nfs/dbraw/zinc/15/33/51/842153351.db2.gz JYXBPHTVYWOXKZ-OAHLLOKOSA-N -1 3 380.891 3.799 20 10 GHCDHM COc1c([O-])c(CN2CCC(C(=O)c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000279485753 843075434 /nfs/dbraw/zinc/07/54/34/843075434.db2.gz UIZAXXPPBLABNA-UHFFFAOYSA-N -1 3 388.395 3.543 20 10 GHCDHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(N3CCCCC3)cc2)c1OC ZINC000277296409 845598839 /nfs/dbraw/zinc/59/88/39/845598839.db2.gz MSFUDZIXZQFZFK-HXUWFJFHSA-N -1 3 398.503 4.000 20 10 GHCDHM CCCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000150865655 852491296 /nfs/dbraw/zinc/49/12/96/852491296.db2.gz CKXKNSGDVQKYLW-UHFFFAOYSA-N -1 3 396.534 3.646 20 10 GHCDHM C[C@@H](NCc1ncc(C(F)(F)F)cn1)c1ccc(Br)cc1[O-] ZINC000296433142 853544849 /nfs/dbraw/zinc/54/48/49/853544849.db2.gz LZCYCQBNZKNHNL-MRVPVSSYSA-N -1 3 376.176 3.814 20 10 GHCDHM CCOC(=O)c1nnc([C@@H](C)NCc2ccc(N(C)Cc3cccs3)cc2)[n-]1 ZINC000895241481 858887099 /nfs/dbraw/zinc/88/70/99/858887099.db2.gz LZBSNAVIYQLVAE-CQSZACIVSA-N -1 3 399.520 3.530 20 10 GHCDHM C[C@@](CO)(NCc1cc(Cl)cc(Br)c1[O-])c1cccc(O)c1 ZINC000895388365 859349042 /nfs/dbraw/zinc/34/90/42/859349042.db2.gz IKBBCDPXFUXMTQ-INIZCTEOSA-N -1 3 386.673 3.511 20 10 GHCDHM COC(=O)c1c(C)c(Cl)nnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168527897 865881029 /nfs/dbraw/zinc/88/10/29/865881029.db2.gz OJFRKSWDARWQOG-UHFFFAOYSA-N -1 3 393.230 3.744 20 10 GHCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000793369009 882133689 /nfs/dbraw/zinc/13/36/89/882133689.db2.gz FYPVGGYWVJZYLK-CQSZACIVSA-N -1 3 390.745 3.796 20 10 GHCDHM CC[C@@H](NC(=O)NCc1c([O-])cccc1F)c1nc(C(F)(F)F)cs1 ZINC000921092448 882587951 /nfs/dbraw/zinc/58/79/51/882587951.db2.gz DGNUIYHPBPDYQS-SNVBAGLBSA-N -1 3 377.363 3.957 20 10 GHCDHM CCN(CC)Cc1nc(C2(NCc3cc(Cl)ccc3[O-])CCCC2)no1 ZINC000742206406 872830530 /nfs/dbraw/zinc/83/05/30/872830530.db2.gz BWCAMKGMDQTRHI-UHFFFAOYSA-N -1 3 378.904 3.830 20 10 GHCDHM Cc1cc(C)c(C(=O)NC2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)o1 ZINC000527588027 873325412 /nfs/dbraw/zinc/32/54/12/873325412.db2.gz PJWAKJIJRRPCQB-UHFFFAOYSA-N -1 3 380.847 3.789 20 10 GHCDHM COC(=O)c1cnc(SCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)[n-]1 ZINC000776434566 876488810 /nfs/dbraw/zinc/48/88/10/876488810.db2.gz VYJRXNIRMFDNMI-UHFFFAOYSA-N -1 3 387.436 3.718 20 10 GHCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000850763842 877152420 /nfs/dbraw/zinc/15/24/20/877152420.db2.gz GXXLWEDKFJSQCY-INIZCTEOSA-N -1 3 396.274 3.682 20 10 GHCDHM COc1ccc(C(=O)C2CCN(Cc3cc(F)cc(C(C)=O)c3[O-])CC2)cc1 ZINC000175574887 877327030 /nfs/dbraw/zinc/32/70/30/877327030.db2.gz HYBNYIULGAPJFK-UHFFFAOYSA-N -1 3 385.435 3.837 20 10 GHCDHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(N(C)C)c(F)c2)c1Cl ZINC000746702065 877544965 /nfs/dbraw/zinc/54/49/65/877544965.db2.gz GBDCULZKDMRDFI-UHFFFAOYSA-N -1 3 391.295 3.985 20 10 GHCDHM C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1cccc(O)c1[O-])OCCO3 ZINC000776618081 878534420 /nfs/dbraw/zinc/53/44/20/878534420.db2.gz YCNGAFMCBUQBAS-CQSZACIVSA-N -1 3 395.455 3.898 20 10 GHCDHM O=C1[C@@H](NCc2c([O-])ccc(Cl)c2F)CCCN1Cc1ccc(F)cc1F ZINC000790990272 880120973 /nfs/dbraw/zinc/12/09/73/880120973.db2.gz DUBRSHSNQWKSDP-INIZCTEOSA-N -1 3 398.812 3.744 20 10 GHCDHM CN1CC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])[C@H]1c1ccccc1 ZINC000805235604 883679607 /nfs/dbraw/zinc/67/96/07/883679607.db2.gz DMUYOPSEYFJYQQ-DLBZAZTESA-N -1 3 394.302 3.944 20 10 GHCDHM CC(=O)NCCN(Cc1ccc(C)s1)Cc1c([O-])cccc1Br ZINC000862356257 884098193 /nfs/dbraw/zinc/09/81/93/884098193.db2.gz ZAMVNKYIOTYHPR-UHFFFAOYSA-N -1 3 397.338 3.663 20 10 GHCDHM [O-]c1ccc2ccncc2c1CN1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000808238331 886173780 /nfs/dbraw/zinc/17/37/80/886173780.db2.gz CNFJIPCKYPLHFA-PKOBYXMFSA-N -1 3 380.448 3.902 20 10 GHCDHM Cc1nn(C)c(OCC(F)(F)F)c1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000809776078 887767992 /nfs/dbraw/zinc/76/79/92/887767992.db2.gz SOIRJZXYDFSLSV-UHFFFAOYSA-N -1 3 398.212 3.972 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)c1[O-] ZINC000287433460 913332103 /nfs/dbraw/zinc/33/21/03/913332103.db2.gz PSYSEMIXMOQTTO-IAGOWNOFSA-N -1 3 389.427 3.696 20 10 GHCDHM CSc1ncc2ccc(NCc3cc(Cl)c4cccnc4c3[O-])nc2n1 ZINC001168521735 890248628 /nfs/dbraw/zinc/24/86/28/890248628.db2.gz IMIBLAPVPWCOBT-UHFFFAOYSA-N -1 3 383.864 3.640 20 10 GHCDHM CC1(C)Oc2cc(NCc3cc(Cl)c4cccnc4c3[O-])cnc2NC1=O ZINC001168522184 890329112 /nfs/dbraw/zinc/32/91/12/890329112.db2.gz ATDCKNNNTDMODC-UHFFFAOYSA-N -1 3 384.823 3.710 20 10 GHCDHM CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(OC)cc1[O-] ZINC000124453784 891550956 /nfs/dbraw/zinc/55/09/56/891550956.db2.gz LSMHREPHNLZIFI-UHFFFAOYSA-N -1 3 380.238 3.531 20 10 GHCDHM COc1cnc([C@H]2CCCN2Cc2ccc(N3CCCCC3)c(C)c2)[n-]c1=O ZINC000934278821 893520406 /nfs/dbraw/zinc/52/04/06/893520406.db2.gz IGOJFSSQCVRBJU-LJQANCHMSA-N -1 3 382.508 3.827 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCCC[C@H]2CNC(=O)Nc2ccccc2)c1[O-] ZINC000748051337 894606975 /nfs/dbraw/zinc/60/69/75/894606975.db2.gz QRVXKTNEYOMSQL-IBGZPJMESA-N -1 3 399.466 3.910 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2COC(=O)NC2CCCC2)c1[O-] ZINC001170863341 895539500 /nfs/dbraw/zinc/53/95/00/895539500.db2.gz UIFPJTMCRFLCOM-GOSISDBHSA-N -1 3 392.471 3.757 20 10 GHCDHM COc1c([O-])c(CNc2cccc(OCc3cccnc3)c2)ccc1[N+](=O)[O-] ZINC000774914447 914021415 /nfs/dbraw/zinc/02/14/15/914021415.db2.gz KUFWMLQOQSMFQZ-UHFFFAOYSA-N -1 3 381.388 3.895 20 10 GHCDHM COc1ccc(N2CC[C@H](CNC(=O)CCCc3ccc([O-])c(F)c3)C2)cc1 ZINC000819590763 896841160 /nfs/dbraw/zinc/84/11/60/896841160.db2.gz YUPJKYQEYTZPQL-QGZVFWFLSA-N -1 3 386.467 3.505 20 10 GHCDHM O=C(Nc1ccc2c(c1)N(Cc1ccccc1)CC2)c1cc(O)c([O-])c(O)c1 ZINC001148586310 904127755 /nfs/dbraw/zinc/12/77/55/904127755.db2.gz KNPXGAMDHVDYBY-UHFFFAOYSA-N -1 3 376.412 3.618 20 10 GHCDHM O=C(NC1(Cc2ccccc2)CCC(F)(F)CC1)c1cc(O)c([O-])c(O)c1 ZINC001148590595 904130670 /nfs/dbraw/zinc/13/06/70/904130670.db2.gz NESICJIIMABKGK-UHFFFAOYSA-N -1 3 377.387 3.724 20 10 GHCDHM COc1c([O-])c(CNc2cccc3c2CN(c2ccccn2)C3)ccc1[N+](=O)[O-] ZINC000365808136 921177398 /nfs/dbraw/zinc/17/73/98/921177398.db2.gz YOMYVYOTRWBTEV-UHFFFAOYSA-N -1 3 392.415 3.836 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)c1[O-] ZINC001176849236 908292760 /nfs/dbraw/zinc/29/27/60/908292760.db2.gz LOPJMDCNOQCETG-OAQYLSRUSA-N -1 3 392.471 3.709 20 10 GHCDHM O=Cc1cccc(OCc2ccccc2C(=O)NCc2c([O-])cccc2F)c1 ZINC001178412827 909049093 /nfs/dbraw/zinc/04/90/93/909049093.db2.gz HEBMBJDQXZFVIC-UHFFFAOYSA-N -1 3 379.387 3.853 20 10 GHCDHM CCCc1c(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cnn1-c1cc(C)ccn1 ZINC000775062660 914901855 /nfs/dbraw/zinc/90/18/55/914901855.db2.gz GGFFOFHWFRCBAX-UHFFFAOYSA-N -1 3 397.435 3.763 20 10 GHCDHM COc1ccc([N-]S(=O)(=O)C2CCC2)c(C(=O)c2ccc(Cl)cc2)c1 ZINC001188130705 915771353 /nfs/dbraw/zinc/77/13/53/915771353.db2.gz OABGXWRKSCCBAU-UHFFFAOYSA-N -1 3 379.865 3.874 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ncsc1C(F)(F)F ZINC001188217051 915838924 /nfs/dbraw/zinc/83/89/24/915838924.db2.gz RXLLXWLHXLNBJZ-UHFFFAOYSA-N -1 3 387.770 3.999 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2ccc(C(=O)NC3CC3)cc2)c1 ZINC000775176061 916029922 /nfs/dbraw/zinc/02/99/22/916029922.db2.gz JILHLPOUQHAPHR-UHFFFAOYSA-N -1 3 375.266 3.967 20 10 GHCDHM O=C(NCc1nc(CNCc2cc(Cl)ccc2[O-])cs1)c1ccccc1 ZINC000749925312 927352012 /nfs/dbraw/zinc/35/20/12/927352012.db2.gz IIQZTVLJTHRNEL-UHFFFAOYSA-N -1 3 387.892 3.722 20 10 GHCDHM O=C(NCc1cccc(Cl)c1[O-])Nc1ccccc1CN1CCSCC1 ZINC000930030034 933783589 /nfs/dbraw/zinc/78/35/89/933783589.db2.gz AIFHGQWZTGBWNS-UHFFFAOYSA-N -1 3 391.924 3.916 20 10 GHCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H](O)c1cc2ccccc2o1 ZINC001117706802 933990578 /nfs/dbraw/zinc/99/05/78/933990578.db2.gz PMFKPAPDYJETEI-QGZVFWFLSA-N -1 3 389.835 3.500 20 10 GHCDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1 ZINC000829758094 935856986 /nfs/dbraw/zinc/85/69/86/935856986.db2.gz FNSJEFMWMQQAFU-UHFFFAOYSA-N -1 3 394.518 3.517 20 10 GHCDHM C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593195281 994146966 /nfs/dbraw/zinc/14/69/66/994146966.db2.gz CWEJJLKRBBZCHR-QWHCGFSZSA-N -1 3 383.448 3.786 20 10 GHCDHM COc1cc(CN[C@@H](C(=O)[O-])c2cc(F)ccc2F)c(O)c(C(C)(C)C)c1 ZINC001599414817 997486287 /nfs/dbraw/zinc/48/62/87/997486287.db2.gz VLABQMHJPBYICF-QGZVFWFLSA-N -1 3 379.403 3.892 20 10 GHCDHM COc1cc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)c(O)c(C(C)(C)C)c1 ZINC001599415334 997497689 /nfs/dbraw/zinc/49/76/89/997497689.db2.gz PGGITYMIRTWBBJ-UHFFFAOYSA-N -1 3 384.476 3.959 20 10 GHCDHM CN(Cc1cnc(Cl)s1)Cc1cccc(I)c1[O-] ZINC001237775377 1042363872 /nfs/dbraw/zinc/36/38/72/1042363872.db2.gz FSUNZWITSRVHPM-UHFFFAOYSA-N -1 3 394.665 3.739 20 10 GHCDHM COC[C@H](NC(=O)NCc1c([O-])cccc1F)c1cccc(C(F)(F)F)c1 ZINC001227394317 1032401883 /nfs/dbraw/zinc/40/18/83/1032401883.db2.gz LNSAORMLSHCIMN-HNNXBMFYSA-N -1 3 386.345 3.737 20 10 GHCDHM CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cccc(O)c1[O-] ZINC000192986759 1020907178 /nfs/dbraw/zinc/90/71/78/1020907178.db2.gz MWJAQXVOVFNJBQ-UHFFFAOYSA-N -1 3 379.460 3.973 20 10 GHCDHM CC(C)(C)OC(=O)N[C@H]1CN(Cc2c([O-])cccc2Cl)CCC1(F)F ZINC001140341771 1021451848 /nfs/dbraw/zinc/45/18/48/1021451848.db2.gz HEKHEAIAQZSBPP-AWEZNQCLSA-N -1 3 376.831 3.780 20 10 GHCDHM [O-]c1cc(Cl)ccc1CN1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001140465145 1021757026 /nfs/dbraw/zinc/75/70/26/1021757026.db2.gz JLEFIFMMHOFQMF-ZSZQSSIHSA-N -1 3 394.924 3.698 20 10 GHCDHM [O-]c1cc(Cl)ccc1CN1CCCn2cnc(COCc3ccco3)c2C1 ZINC001140466886 1021763542 /nfs/dbraw/zinc/76/35/42/1021763542.db2.gz KVRPKEVZHPDTRE-UHFFFAOYSA-N -1 3 387.867 3.958 20 10 GHCDHM CCOc1ccc(N2CCN(Cc3cccc([O-])c3Br)CC2)cc1 ZINC001140555302 1021958741 /nfs/dbraw/zinc/95/87/41/1021958741.db2.gz CBJHCUSTOLSHHR-UHFFFAOYSA-N -1 3 391.309 3.876 20 10 GHCDHM Cc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(OC[C@@H]2CCOC2)c1 ZINC000756648750 1023753759 /nfs/dbraw/zinc/75/37/59/1023753759.db2.gz ZJJQEAMSRVFSKN-JKSUJKDBSA-N -1 3 386.448 3.875 20 10 GHCDHM COc1ccc(N[C@@H]2C[C@H](C)c3c2c(O)ccc3F)cc1[N-]S(C)(=O)=O ZINC000756869391 1023841124 /nfs/dbraw/zinc/84/11/24/1023841124.db2.gz VJKXQAPNQMRQAK-IINYFYTJSA-N -1 3 380.441 3.572 20 10 GHCDHM COCc1csc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000830544312 1023978087 /nfs/dbraw/zinc/97/80/87/1023978087.db2.gz OOOXVOHMDWATFG-MRXNPFEDSA-N -1 3 394.924 3.648 20 10 GHCDHM [O-]c1c(F)ccc(F)c1CN1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 ZINC001139682108 1026537209 /nfs/dbraw/zinc/53/72/09/1026537209.db2.gz PAPDDRMIRHYLPV-IBGZPJMESA-N -1 3 395.400 3.803 20 10 GHCDHM [O-]c1c(F)ccc(F)c1CN1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001139682263 1026537592 /nfs/dbraw/zinc/53/75/92/1026537592.db2.gz UNYWXRUKFNXURQ-WIYYLYMNSA-N -1 3 390.430 3.516 20 10 GHCDHM CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCCN2Cc1c([O-])cccc1Br ZINC001140100035 1026877644 /nfs/dbraw/zinc/87/76/44/1026877644.db2.gz BQUXNQVZJYSECI-HUUCEWRRSA-N -1 3 397.313 3.738 20 10 GHCDHM CC(C)(C)OC(=O)N1CC2(C1)CCCN2Cc1c([O-])cccc1Br ZINC001140100255 1026877705 /nfs/dbraw/zinc/87/77/05/1026877705.db2.gz HVNPPTDLVCNWPW-UHFFFAOYSA-N -1 3 397.313 3.740 20 10 GHCDHM CCOC[C@@H]1CN(Cc2c([O-])cccc2Br)Cc2c1cnn2CC ZINC001140100023 1026878049 /nfs/dbraw/zinc/87/80/49/1026878049.db2.gz BKJCYRHTSGRDTH-ZDUSSCGKSA-N -1 3 394.313 3.507 20 10 GHCDHM CC(C)(C)OC(=O)NCC12CC(C1)CN2Cc1c([O-])cccc1Br ZINC001140100254 1026878363 /nfs/dbraw/zinc/87/83/63/1026878363.db2.gz HVBNBVYIRSNSGH-UHFFFAOYSA-N -1 3 397.313 3.644 20 10 GHCDHM [O-]c1cccc(Br)c1CN1CCc2nn(-c3ccccc3)cc2C1 ZINC001140103010 1026883994 /nfs/dbraw/zinc/88/39/94/1026883994.db2.gz DRLNTUGLLUCQLZ-UHFFFAOYSA-N -1 3 384.277 3.899 20 10 GHCDHM CCOC[C@H]1CN(Cc2cc(Br)ccc2[O-])Cc2nn(CC)cc21 ZINC001203639310 1027497769 /nfs/dbraw/zinc/49/77/69/1027497769.db2.gz AZPGURXYFKWHGF-CQSZACIVSA-N -1 3 394.313 3.507 20 10 GHCDHM COC(=O)N1CCN(c2ccc(N[C@@H](C)c3ccc(Cl)cc3[O-])cn2)CC1 ZINC000841758320 1028916024 /nfs/dbraw/zinc/91/60/24/1028916024.db2.gz SGRQCDBWTARUSS-ZDUSSCGKSA-N -1 3 390.871 3.502 20 10 GHCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001142512733 1029014698 /nfs/dbraw/zinc/01/46/98/1029014698.db2.gz JKCNYLHEYMJLCY-TZIWHRDSSA-N -1 3 390.430 3.516 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)Nc1cc(F)cc(F)c1Br ZINC001216712657 1029902065 /nfs/dbraw/zinc/90/20/65/1029902065.db2.gz DOTWHUQZJMQOGK-UHFFFAOYSA-N -1 3 375.144 3.894 20 10 GHCDHM Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1cccc(F)c1[O-] ZINC001205735775 1033551780 /nfs/dbraw/zinc/55/17/80/1033551780.db2.gz NHQXAWVTQDZWHK-UHFFFAOYSA-N -1 3 378.469 3.626 20 10 GHCDHM COC(=O)c1cc(F)c(C)nc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001157726567 1033741412 /nfs/dbraw/zinc/74/14/12/1033741412.db2.gz RLZZFGNKTOBWLT-UHFFFAOYSA-N -1 3 375.787 3.835 20 10 GHCDHM Cn1nccc1[C@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001461885399 1069837709 /nfs/dbraw/zinc/83/77/09/1069837709.db2.gz PIZFXZCJBUSAJX-NSHDSACASA-N -1 3 384.705 3.921 20 10 GHCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)c([O-])c1 ZINC001231450160 1034595399 /nfs/dbraw/zinc/59/53/99/1034595399.db2.gz BBOICAIFOGSILP-RBBKRZOGSA-N -1 3 381.472 3.703 20 10 GHCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)c([O-])c1 ZINC001231450160 1034595408 /nfs/dbraw/zinc/59/54/08/1034595408.db2.gz BBOICAIFOGSILP-RBBKRZOGSA-N -1 3 381.472 3.703 20 10 GHCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@H](OCc3ccc(Cl)cc3)C2)c([O-])c1 ZINC001231452294 1034596434 /nfs/dbraw/zinc/59/64/34/1034596434.db2.gz KKQYFKLKTBZGSN-SFHVURJKSA-N -1 3 375.852 3.925 20 10 GHCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@H](OCc3ccc(Cl)cc3)C2)c([O-])c1 ZINC001231452294 1034596445 /nfs/dbraw/zinc/59/64/45/1034596445.db2.gz KKQYFKLKTBZGSN-SFHVURJKSA-N -1 3 375.852 3.925 20 10 GHCDHM Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C3)c1 ZINC001231563145 1034713076 /nfs/dbraw/zinc/71/30/76/1034713076.db2.gz HHQGQJLVCKKMQS-OFNKIYASSA-N -1 3 396.487 3.613 20 10 GHCDHM Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C3)c1 ZINC001231563145 1034713085 /nfs/dbraw/zinc/71/30/85/1034713085.db2.gz HHQGQJLVCKKMQS-OFNKIYASSA-N -1 3 396.487 3.613 20 10 GHCDHM Cc1cc([O-])c(CN2Cc3ncn(C)c3[C@H](COCC(C)C)C2)cc1Cl ZINC001231867657 1034953787 /nfs/dbraw/zinc/95/37/87/1034953787.db2.gz PHVXSWIRNLPNKM-INIZCTEOSA-N -1 3 377.916 3.860 20 10 GHCDHM COc1cc([O-])c(CN2CCN(Cc3ccc(F)cc3)C[C@H]2C)cc1Cl ZINC001232265914 1037986141 /nfs/dbraw/zinc/98/61/41/1037986141.db2.gz HEJZGOYMXIKSHM-CQSZACIVSA-N -1 3 378.875 3.900 20 10 GHCDHM COc1cc([O-])c(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1Cl ZINC001232268875 1037992062 /nfs/dbraw/zinc/99/20/62/1037992062.db2.gz WMYKALYCYXJHBN-UHFFFAOYSA-N -1 3 387.867 3.947 20 10 GHCDHM O=C(NCc1ccc(Cl)cc1)C1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233336622 1039137782 /nfs/dbraw/zinc/13/77/82/1039137782.db2.gz SXKKKZSCWADQNP-UHFFFAOYSA-N -1 3 394.849 3.852 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2[O-])C1)c1cccc(F)c1 ZINC001233420095 1039283123 /nfs/dbraw/zinc/28/31/23/1039283123.db2.gz ZLZSZUSXSYHGGY-MRXNPFEDSA-N -1 3 396.384 3.945 20 10 GHCDHM Cc1cnccc1O[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001235074464 1040564109 /nfs/dbraw/zinc/56/41/09/1040564109.db2.gz HXKKDPHDZJVFIO-CQSZACIVSA-N -1 3 381.245 3.651 20 10 GHCDHM CC[C@@H]1N(Cc2cc(F)cc(Br)c2[O-])CCC[C@]12CCC(=O)N2C ZINC001235299428 1040770907 /nfs/dbraw/zinc/77/09/07/1040770907.db2.gz UMXRVGSMPHWPPM-YJBOKZPZSA-N -1 3 399.304 3.659 20 10 GHCDHM CC(=O)N1CCCC[C@]12CCCN(Cc1cc(F)cc(Br)c1[O-])C2 ZINC001235302394 1040774694 /nfs/dbraw/zinc/77/46/94/1040774694.db2.gz PYDYMPCQTOWEGV-GOSISDBHSA-N -1 3 399.304 3.661 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CC(C)(CNC(=O)OC(C)(C)C)C2)c1 ZINC001236669180 1041816462 /nfs/dbraw/zinc/81/64/62/1041816462.db2.gz HJSZCBGXVAYPDQ-UHFFFAOYSA-N -1 3 399.329 3.810 20 10 GHCDHM CCc1noc(C2CCN(Cc3cc(C)cc(Br)c3[O-])CC2)n1 ZINC001236669710 1041817236 /nfs/dbraw/zinc/81/72/36/1041817236.db2.gz QWOAIYHXNLQNTR-UHFFFAOYSA-N -1 3 380.286 3.788 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC(Oc3ncncc3C)CC2)c1 ZINC001236671069 1041818822 /nfs/dbraw/zinc/81/88/22/1041818822.db2.gz SBKUQXROAKNDPL-UHFFFAOYSA-N -1 3 392.297 3.605 20 10 GHCDHM O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)N(Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001236796026 1041900988 /nfs/dbraw/zinc/90/09/88/1041900988.db2.gz MWELPRGKLDWCNQ-AAEUAGOBSA-N -1 3 381.259 3.639 20 10 GHCDHM COc1ccc(CN2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)c([O-])c1Cl ZINC001236800990 1041903003 /nfs/dbraw/zinc/90/30/03/1041903003.db2.gz BACQLBIOWOGPCR-LJQANCHMSA-N -1 3 382.888 3.640 20 10 GHCDHM COc1cc([O-])c(CN2CCN(c3nccc4ccccc43)CC2)c(Cl)c1 ZINC001236802712 1041905118 /nfs/dbraw/zinc/90/51/18/1041905118.db2.gz KHPVURQQTFUSML-UHFFFAOYSA-N -1 3 383.879 3.925 20 10 GHCDHM COc1ccc(CN2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)c([O-])c1Cl ZINC001236803517 1041905879 /nfs/dbraw/zinc/90/58/79/1041905879.db2.gz VADPOIFBMYCCIJ-CQSZACIVSA-N -1 3 384.904 3.933 20 10 GHCDHM COc1cc([O-])c(CN2CCN(C(=O)c3cccc(Cl)c3)CC2)c(Cl)c1 ZINC001236807756 1041908518 /nfs/dbraw/zinc/90/85/18/1041908518.db2.gz IOJUVKHIVGBOPP-UHFFFAOYSA-N -1 3 395.286 3.666 20 10 GHCDHM COc1ccc(CN2CCC(N(C)C(=O)c3ccccc3)CC2)c([O-])c1Cl ZINC001236809872 1041910304 /nfs/dbraw/zinc/91/03/04/1041910304.db2.gz OUCBLAHKVAOWDH-UHFFFAOYSA-N -1 3 388.895 3.791 20 10 GHCDHM COc1ccc(CN2CCC[C@H](c3noc(C(F)(F)F)n3)C2)c([O-])c1Cl ZINC001236812175 1041912410 /nfs/dbraw/zinc/91/24/10/1041912410.db2.gz SOBVZAHQVADKEI-JTQLQIEISA-N -1 3 391.777 3.836 20 10 GHCDHM COc1cc([O-])c(CN2CC(Oc3ccccc3F)C2)c(Br)c1 ZINC001237070800 1042021563 /nfs/dbraw/zinc/02/15/63/1042021563.db2.gz PKRDBAPEGBRMDO-UHFFFAOYSA-N -1 3 382.229 3.566 20 10 GHCDHM O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2Cc1c([O-])ccc(Cl)c1Cl ZINC001237080094 1042025289 /nfs/dbraw/zinc/02/52/89/1042025289.db2.gz JXTSQGCKRZJIJY-KGLIPLIRSA-N -1 3 398.315 3.645 20 10 GHCDHM [O-]c1c(CN2CCN(CC3CC3)CC2)cc(Br)cc1C(F)(F)F ZINC001237781217 1042366642 /nfs/dbraw/zinc/36/66/42/1042366642.db2.gz KYTVBZWGYMCYEI-UHFFFAOYSA-N -1 3 393.247 3.701 20 10 GHCDHM C[C@]1(O)CCCCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])C1 ZINC001237783495 1042367523 /nfs/dbraw/zinc/36/75/23/1042367523.db2.gz JIPBWIUUZATHRD-AWEZNQCLSA-N -1 3 382.220 3.910 20 10 GHCDHM CC[NH2+]Cc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])c1 ZINC001237793823 1042373239 /nfs/dbraw/zinc/37/32/39/1042373239.db2.gz CJZFFBVPTZVCRZ-UHFFFAOYSA-N -1 3 375.277 3.609 20 10 GHCDHM CO[C@H](CN1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1)c1ccccc1 ZINC001237939441 1042429389 /nfs/dbraw/zinc/42/93/89/1042429389.db2.gz DFSOYTJUYOLELJ-HXUWFJFHSA-N -1 3 378.875 3.690 20 10 GHCDHM Cc1c2c(c(C)c(S(=O)(=O)[N-]c3ccc(O)c(F)c3)c1C)CC(C)(C)O2 ZINC001260247088 1045427432 /nfs/dbraw/zinc/42/74/32/1045427432.db2.gz PFTAKFHRADPDIF-UHFFFAOYSA-N -1 3 379.453 3.971 20 10 GHCDHM CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001279665033 1047904817 /nfs/dbraw/zinc/90/48/17/1047904817.db2.gz JAVWKIAFIWMFOG-GASCZTMLSA-N -1 3 395.334 3.764 20 10 GHCDHM CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)N2Cc1c([O-])ccc(Cl)c1Cl ZINC001279676953 1047910708 /nfs/dbraw/zinc/91/07/08/1047910708.db2.gz SNJYJDSCIFFENL-OKILXGFUSA-N -1 3 395.334 3.764 20 10 GHCDHM [O-]c1c(Br)cc(Br)cc1CNc1ccc2nn[nH]c2c1 ZINC001308314696 1049946829 /nfs/dbraw/zinc/94/68/29/1049946829.db2.gz WDYLQSZZQFWTPQ-UHFFFAOYSA-N -1 3 398.058 3.801 20 10 GHCDHM Cc1ccc(CNC(=O)C2CCN(Cc3cc(F)c(F)cc3[O-])CC2)cc1F ZINC001308606202 1050028961 /nfs/dbraw/zinc/02/89/61/1050028961.db2.gz RXUCIJCZGYYLQY-UHFFFAOYSA-N -1 3 392.421 3.646 20 10 GHCDHM Cc1cc([O-])c(CN2CCN(C(=O)c3ccc(C)c(F)c3)CC2)c(Cl)c1 ZINC001308612231 1050032424 /nfs/dbraw/zinc/03/24/24/1050032424.db2.gz NFMJPIQUBOXQAG-UHFFFAOYSA-N -1 3 376.859 3.760 20 10 GHCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC001340210295 1059766350 /nfs/dbraw/zinc/76/63/50/1059766350.db2.gz RHGHUAZUYJOLND-DZGCQCFKSA-N -1 3 399.520 3.583 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CC2(C[C@H]1C)CCOCC2 ZINC001341733402 1060844662 /nfs/dbraw/zinc/84/46/62/1060844662.db2.gz RSLMYZIVMCLRTC-CYBMUJFWSA-N -1 3 399.520 3.676 20 10 GHCDHM COCCSc1ccc([C@@H](C)NC(=O)NCc2c([O-])cccc2F)cc1 ZINC001477824669 1078580775 /nfs/dbraw/zinc/58/07/75/1078580775.db2.gz BDSUUGUPTSNTPX-CYBMUJFWSA-N -1 3 378.469 3.830 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1[O-] ZINC001460233715 1068875829 /nfs/dbraw/zinc/87/58/29/1068875829.db2.gz MOALRKBTFURUOZ-SUMWQHHRSA-N -1 3 394.899 3.689 20 10 GHCDHM [O-]c1c(F)cc(Br)cc1CN1CC[C@](O)(c2ccc(F)cc2)C1 ZINC001474391992 1074381969 /nfs/dbraw/zinc/38/19/69/1074381969.db2.gz REOZHAKRXHFOHY-QGZVFWFLSA-N -1 3 384.220 3.526 20 10 GHCDHM O=S(=O)(NCc1c([O-])cccc1F)c1ccc(SC(F)(F)F)cc1 ZINC001475706988 1075004182 /nfs/dbraw/zinc/00/41/82/1075004182.db2.gz LFCJNAVCQDMZEC-UHFFFAOYSA-N -1 3 381.372 3.622 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)Nc1nc(Sc2ccccc2)ns1 ZINC001476255343 1075111729 /nfs/dbraw/zinc/11/17/29/1075111729.db2.gz NCGLOCGNXZSQNI-UHFFFAOYSA-N -1 3 376.438 3.856 20 10 GHCDHM Cc1ccc(C)n1-c1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737330302 598311616 /nfs/dbraw/zinc/31/16/16/598311616.db2.gz NDNUGNSOXFSCHZ-UHFFFAOYSA-N -1 3 390.422 3.690 20 10 GHCDHM Cc1ccc(C)n1-c1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737330302 598311617 /nfs/dbraw/zinc/31/16/17/598311617.db2.gz NDNUGNSOXFSCHZ-UHFFFAOYSA-N -1 3 390.422 3.690 20 10 GHCDHM CCCCN(C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C1CC1 ZINC000736451855 598610032 /nfs/dbraw/zinc/61/00/32/598610032.db2.gz PXGIVMMVFVPRNH-UHFFFAOYSA-N -1 3 378.480 3.679 20 10 GHCDHM Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227957 598610632 /nfs/dbraw/zinc/61/06/32/598610632.db2.gz RBGGXFNBUQFFDC-VLIAUNLRSA-N -1 3 392.507 3.925 20 10 GHCDHM Cc1cc(C(=O)Nc2cc(C)ccc2F)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737345940 598610885 /nfs/dbraw/zinc/61/08/85/598610885.db2.gz XULFQOFTIRTMMM-UHFFFAOYSA-N -1 3 390.422 3.974 20 10 GHCDHM Cc1cc(C(=O)N(C)c2cccc(C)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737397006 598612298 /nfs/dbraw/zinc/61/22/98/598612298.db2.gz QHKVEJJQKHMISA-UHFFFAOYSA-N -1 3 386.459 3.859 20 10 GHCDHM Cc1cc(C(=O)N2[C@@H](C)CCC[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737232888 598689089 /nfs/dbraw/zinc/68/90/89/598689089.db2.gz AAFXJGJAISOAJJ-KBPBESRZSA-N -1 3 378.480 3.677 20 10 GHCDHM Cc1cc(C(=O)Nc2ccc(O)cc2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822210877 599379306 /nfs/dbraw/zinc/37/93/06/599379306.db2.gz UOPUZQYHRHRKNW-UHFFFAOYSA-N -1 3 388.431 3.541 20 10 GHCDHM C[C@@H]1C[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)CC[C@@H]1NC(=O)[O-] ZINC000739185252 603399023 /nfs/dbraw/zinc/39/90/23/603399023.db2.gz OTSSNSPVSRURQE-BZNIZROVSA-N -1 3 393.281 3.786 20 10 GHCDHM C[C@@H]1C[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)CC[C@@H]1NC(=O)[O-] ZINC000739185252 603399026 /nfs/dbraw/zinc/39/90/26/603399026.db2.gz OTSSNSPVSRURQE-BZNIZROVSA-N -1 3 393.281 3.786 20 10 GHCDHM C[C@@H](c1ccccc1)N1C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)SC1=S ZINC000820570503 606335850 /nfs/dbraw/zinc/33/58/50/606335850.db2.gz KXKNWSZBJFAIDV-WULZRQGASA-N -1 3 399.526 3.891 20 10 GHCDHM C[C@@H](c1ccccc1)N1C(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)SC1=S ZINC000820570503 606335852 /nfs/dbraw/zinc/33/58/52/606335852.db2.gz KXKNWSZBJFAIDV-WULZRQGASA-N -1 3 399.526 3.891 20 10 GHCDHM CCc1ccccc1N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)SC1=S ZINC000821496936 606394012 /nfs/dbraw/zinc/39/40/12/606394012.db2.gz LPXPOIJZDFCZPD-NTEUORMPSA-N -1 3 399.526 3.896 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCC(OC[C@H]3CCCCO3)CC2)c1[O-] ZINC000177584344 836838159 /nfs/dbraw/zinc/83/81/59/836838159.db2.gz PKHUYHDVKHATCL-GOSISDBHSA-N -1 3 381.900 3.798 20 10 GHCDHM O=C1c2ccccc2N[C@@H](c2cc(O)cc(Br)c2[O-])N1C1CC1 ZINC000124694604 841015869 /nfs/dbraw/zinc/01/58/69/841015869.db2.gz OHYLOERLKWOADV-MRXNPFEDSA-N -1 3 375.222 3.589 20 10 GHCDHM COc1c([O-])c(CNc2cccc(C[S@@](=O)C(C)(C)C)c2)ccc1[N+](=O)[O-] ZINC000278939781 842337384 /nfs/dbraw/zinc/33/73/84/842337384.db2.gz XMJULRPXJQNVAQ-HHHXNRCGSA-N -1 3 392.477 3.968 20 10 GHCDHM COCCOc1c(Cl)cccc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278909451 843703158 /nfs/dbraw/zinc/70/31/58/843703158.db2.gz SGEVCNQNLZREJM-UHFFFAOYSA-N -1 3 382.800 3.600 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1[O-] ZINC000127803203 847531036 /nfs/dbraw/zinc/53/10/36/847531036.db2.gz XEBXUOVVFFWAHB-GOSISDBHSA-N -1 3 395.377 3.909 20 10 GHCDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000128991227 856345163 /nfs/dbraw/zinc/34/51/63/856345163.db2.gz PQHGMYZRXNXNDS-UHFFFAOYSA-N -1 3 399.410 3.561 20 10 GHCDHM CC(=O)c1cc(CN(C)Cc2cc(C)cc(C)c2)c([O-])c(CN2CCOCC2)c1 ZINC000766093119 857054585 /nfs/dbraw/zinc/05/45/85/857054585.db2.gz SETGFLSFOHUCGU-UHFFFAOYSA-N -1 3 396.531 3.676 20 10 GHCDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1 ZINC000172889018 864061435 /nfs/dbraw/zinc/06/14/35/864061435.db2.gz CVCKSVFREWFLON-UHFFFAOYSA-N -1 3 396.534 3.763 20 10 GHCDHM CC(=O)c1cc(CN2C[C@H](C)[C@H]2c2ccccc2)c([O-])c(CN2CCOCC2)c1 ZINC000173459427 864739964 /nfs/dbraw/zinc/73/99/64/864739964.db2.gz YHQRUEVTRPDUHV-SBUREZEXSA-N -1 3 394.515 3.620 20 10 GHCDHM [O-]c1cccc(Cl)c1CN1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000769387882 874014996 /nfs/dbraw/zinc/01/49/96/874014996.db2.gz OTSCBJZCPLXZIR-SFHVURJKSA-N -1 3 381.303 3.550 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccncc1OC(F)(F)F ZINC001198256785 874316473 /nfs/dbraw/zinc/31/64/73/874316473.db2.gz KNGAZUPYZSBXKN-UHFFFAOYSA-N -1 3 397.740 3.817 20 10 GHCDHM Cc1ccccc1[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(C)(C)C ZINC000769958814 874365887 /nfs/dbraw/zinc/36/58/87/874365887.db2.gz GGHSSXPYEPALEH-GOSISDBHSA-N -1 3 390.505 3.589 20 10 GHCDHM CCOc1cc(CNCc2cccc(Br)c2[O-])c(F)cc1OC ZINC000529553171 876317795 /nfs/dbraw/zinc/31/77/95/876317795.db2.gz GBTKCAZGHDDGBK-UHFFFAOYSA-N -1 3 384.245 3.991 20 10 GHCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1scnc1C1CC1 ZINC000130748903 883033118 /nfs/dbraw/zinc/03/31/18/883033118.db2.gz RMIBQXOAUICULI-HNNXBMFYSA-N -1 3 391.924 3.774 20 10 GHCDHM O=C(CCCc1ccc([O-])c(F)c1)NCc1ccc(N2CCSCC2)cc1 ZINC000786788620 876940581 /nfs/dbraw/zinc/94/05/81/876940581.db2.gz HNCULTSXGNSULL-UHFFFAOYSA-N -1 3 388.508 3.724 20 10 GHCDHM COc1ccc(N2CCCN(C(=O)CCCc3ccc([O-])c(F)c3)CC2)cc1 ZINC000786803350 876962546 /nfs/dbraw/zinc/96/25/46/876962546.db2.gz JIKHKPMCHZBKLX-UHFFFAOYSA-N -1 3 386.467 3.602 20 10 GHCDHM O=C(CCCc1ccc([O-])c(F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000787139659 877188427 /nfs/dbraw/zinc/18/84/27/877188427.db2.gz JDKNMTVQBNLFPV-SFHVURJKSA-N -1 3 387.451 3.767 20 10 GHCDHM O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1cccc(O)c1[O-] ZINC000790499277 879767468 /nfs/dbraw/zinc/76/74/68/879767468.db2.gz WPZLDIBAQBPBRU-UHFFFAOYSA-N -1 3 378.432 3.725 20 10 GHCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000806310057 884554133 /nfs/dbraw/zinc/55/41/33/884554133.db2.gz QHGWBRYNUVTKTP-MRXNPFEDSA-N -1 3 394.302 3.773 20 10 GHCDHM Cc1cc(=O)[n-]c(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)n1 ZINC000761863957 884898906 /nfs/dbraw/zinc/89/89/06/884898906.db2.gz LLFRMGRNBYDIQO-INIZCTEOSA-N -1 3 382.489 3.825 20 10 GHCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000807836392 885800971 /nfs/dbraw/zinc/80/09/71/885800971.db2.gz VZWPVMWAQXOXTQ-CQSZACIVSA-N -1 3 394.302 3.622 20 10 GHCDHM CCOC(=O)CC(C)(C)CC(=O)C([O-])=Cc1nc(-c2ccsc2)oc1C ZINC000808095161 886013435 /nfs/dbraw/zinc/01/34/35/886013435.db2.gz UCGZQNYZCRMOBQ-UHFFFAOYSA-N -1 3 377.462 3.762 20 10 GHCDHM COC(=O)[C@@H](NCc1c([O-])cccc1Br)c1ccc(C)c(C)c1 ZINC000862332452 886297565 /nfs/dbraw/zinc/29/75/65/886297565.db2.gz VJKKVVNSZVKDHN-KRWDZBQOSA-N -1 3 378.266 3.775 20 10 GHCDHM NC(=O)c1ccc(CN(Cc2c([O-])cccc2Br)C2CC2)c(F)c1 ZINC000862374390 886335894 /nfs/dbraw/zinc/33/58/94/886335894.db2.gz LBMITHQOPAPAGP-UHFFFAOYSA-N -1 3 393.256 3.557 20 10 GHCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cc(F)c(F)cc1F ZINC000747590826 888130148 /nfs/dbraw/zinc/13/01/48/888130148.db2.gz OYJXBVBFIWTREY-ZDUSSCGKSA-N -1 3 398.812 3.857 20 10 GHCDHM C[C@H](N[C@H](CO)c1ccccc1OC(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000794842666 888423078 /nfs/dbraw/zinc/42/30/78/888423078.db2.gz SBACQMSUXWQERH-LKFCYVNXSA-N -1 3 377.309 3.953 20 10 GHCDHM CON(C)C(=O)c1ccc(NCc2cc(C)cc(Br)c2[O-])cc1 ZINC000811838814 890022422 /nfs/dbraw/zinc/02/24/22/890022422.db2.gz DVZBWGOHVPSDDN-UHFFFAOYSA-N -1 3 379.254 3.709 20 10 GHCDHM Cc1ncn(-c2ccc(NCc3cc(Cl)c4cccnc4c3[O-])nn2)c1C ZINC001168523077 891603557 /nfs/dbraw/zinc/60/35/57/891603557.db2.gz YZIAVGBJENHNPP-UHFFFAOYSA-N -1 3 380.839 3.798 20 10 GHCDHM Cc1ccccc1C(=O)NC1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816486672 894855176 /nfs/dbraw/zinc/85/51/76/894855176.db2.gz NHGUUPVHADTZIC-UHFFFAOYSA-N -1 3 376.859 3.888 20 10 GHCDHM COc1c([O-])c(CN2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774906624 913994672 /nfs/dbraw/zinc/99/46/72/913994672.db2.gz CJCBKTGVIPVNJZ-HNAYVOBHSA-N -1 3 386.448 3.888 20 10 GHCDHM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000817882029 895948092 /nfs/dbraw/zinc/94/80/92/895948092.db2.gz VFYHTYWIVSKWRO-ZBFHGGJFSA-N -1 3 395.341 3.982 20 10 GHCDHM CCc1noc(-c2ccc(C)c(NCc3ccc([N+](=O)[O-])c(OC)c3[O-])c2)n1 ZINC000774939371 914108947 /nfs/dbraw/zinc/10/89/47/914108947.db2.gz SCXJROPBOXQIGD-UHFFFAOYSA-N -1 3 384.392 3.842 20 10 GHCDHM Cc1cccc(C)c1NC(=O)CN(C)Cc1ccc(Br)cc1[O-] ZINC000824523165 899658317 /nfs/dbraw/zinc/65/83/17/899658317.db2.gz VPVDUSHKRVXSST-UHFFFAOYSA-N -1 3 377.282 3.842 20 10 GHCDHM CC(=O)N1CCN(Cc2ccc(Br)cc2[O-])CC12CCCCC2 ZINC000824920283 899890321 /nfs/dbraw/zinc/89/03/21/899890321.db2.gz JKYYBAKVBPOMHU-UHFFFAOYSA-N -1 3 381.314 3.522 20 10 GHCDHM [O-]c1ccc2oc3c(c2c1CN1CCn2c(CC4CC4)nnc2C1)CCCC3 ZINC000844721865 901204311 /nfs/dbraw/zinc/20/43/11/901204311.db2.gz ZBQKDRCCSMQPFQ-UHFFFAOYSA-N -1 3 378.476 3.577 20 10 GHCDHM CC(=O)Nc1cc(F)ccc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001186435422 914555872 /nfs/dbraw/zinc/55/58/72/914555872.db2.gz UFUOFNUIRINXKO-UHFFFAOYSA-N -1 3 387.798 3.621 20 10 GHCDHM [O-]c1cc(F)c(Br)cc1CN1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001144306782 901685636 /nfs/dbraw/zinc/68/56/36/901685636.db2.gz QDRCHQFBHWIDHF-HOTGVXAUSA-N -1 3 391.284 3.753 20 10 GHCDHM Cc1cccc(O[C@@H]2CCN(Cc3cc(Br)c(F)cc3[O-])C2)n1 ZINC001144308847 901703212 /nfs/dbraw/zinc/70/32/12/901703212.db2.gz ZTDAPSZFOQHDGH-CYBMUJFWSA-N -1 3 381.245 3.651 20 10 GHCDHM O=C(CC1CCCC1)NC1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000093321387 912199243 /nfs/dbraw/zinc/19/92/43/912199243.db2.gz LBOBTQBWAJXUCI-UHFFFAOYSA-N -1 3 395.341 3.816 20 10 GHCDHM CCOCCS(=O)(=O)[N-]c1ccc(N=Nc2ccc(N(C)C)cc2)cc1 ZINC001187286284 915153564 /nfs/dbraw/zinc/15/35/64/915153564.db2.gz FWJAWZNCZAAFDV-UHFFFAOYSA-N -1 3 376.482 3.946 20 10 GHCDHM COC(=O)c1ccc(NC(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc1 ZINC001187806205 915525160 /nfs/dbraw/zinc/52/51/60/915525160.db2.gz UOEOGXPIPWJCBB-UHFFFAOYSA-N -1 3 385.807 3.702 20 10 GHCDHM O=S(=O)([N-]Cc1cc2ccccc2cc1O)c1cnc(Cl)c(Cl)c1 ZINC001188088257 915747172 /nfs/dbraw/zinc/74/71/72/915747172.db2.gz ASCBEUTYBUSAMR-UHFFFAOYSA-N -1 3 383.256 3.726 20 10 GHCDHM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(O)cc2Br)c1 ZINC001189609881 916774894 /nfs/dbraw/zinc/77/48/94/916774894.db2.gz XSTNSLXFFUSWGE-UHFFFAOYSA-N -1 3 392.658 3.618 20 10 GHCDHM COc1ccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c(Cl)n1 ZINC001190101421 917097395 /nfs/dbraw/zinc/09/73/95/917097395.db2.gz KWFBUEWHCGJRNF-UHFFFAOYSA-N -1 3 378.215 3.581 20 10 GHCDHM Cc1nc(C2CC2)oc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000371888696 924950933 /nfs/dbraw/zinc/95/09/33/924950933.db2.gz QWJCMEXMCKZPMF-MRXNPFEDSA-N -1 3 389.883 3.614 20 10 GHCDHM CN(Cc1c([O-])ccc2ccncc21)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000749788290 927269845 /nfs/dbraw/zinc/26/98/45/927269845.db2.gz FWMUAQXZWUXZCC-QGZVFWFLSA-N -1 3 388.876 3.554 20 10 GHCDHM COc1cccc([C@@H](C)N2CCN(Cc3cc(F)cc(C(C)=O)c3[O-])CC2)c1 ZINC000750825011 927877261 /nfs/dbraw/zinc/87/72/61/927877261.db2.gz BNMOIWMVSCNQIO-OAHLLOKOSA-N -1 3 386.467 3.621 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1[O-] ZINC000750832764 927881465 /nfs/dbraw/zinc/88/14/65/927881465.db2.gz UCTNPFKGNZKHJM-SJORKVTESA-N -1 3 392.471 3.708 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)c([O-])c1O ZINC000780932094 930643420 /nfs/dbraw/zinc/64/34/20/930643420.db2.gz QSHJJCFHWHTZRY-UHFFFAOYSA-N -1 3 389.411 3.885 20 10 GHCDHM CO[C@H]1CCCN(Cc2cc(Br)cc(Br)c2[O-])CC1 ZINC000783602797 931593422 /nfs/dbraw/zinc/59/34/22/931593422.db2.gz MINMSRVQLYIZLM-LBPRGKRZSA-N -1 3 393.119 3.918 20 10 GHCDHM CC[C@@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1ccc(F)cc1[O-] ZINC000796973775 932131755 /nfs/dbraw/zinc/13/17/55/932131755.db2.gz AWVSBRLMLFHBRV-GDBMZVCRSA-N -1 3 381.245 3.561 20 10 GHCDHM CC(C)Oc1ccc([C@@H](C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])N(C)C)cc1 ZINC001591777005 975930991 /nfs/dbraw/zinc/93/09/91/975930991.db2.gz WRMXQCBLOQQPBH-FOIQADDNSA-N -1 3 386.492 3.831 20 10 GHCDHM COc1ccc([C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C(=O)[O-])c(OC)c1 ZINC001599528548 997606790 /nfs/dbraw/zinc/60/67/90/997606790.db2.gz ZAJMCWBDFZIETJ-QFIPXVFZSA-N -1 3 393.439 3.992 20 10 GHCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c([O-])cnc2ccc(OC)cc21 ZINC001154510888 1032152597 /nfs/dbraw/zinc/15/25/97/1032152597.db2.gz PQDVGNLVWLNFEA-UHFFFAOYSA-N -1 3 379.460 3.677 20 10 GHCDHM COc1cc(O[C@@H]2CCCN(C(C)C)C2)c2c([O-])c3c(=O)c(O)ccc-3oc2c1 ZINC001227657788 1032506459 /nfs/dbraw/zinc/50/64/59/1032506459.db2.gz MZCGVPAIXJSRBD-CYBMUJFWSA-N -1 3 399.443 3.618 20 10 GHCDHM CCn1ncc2c1CN(Cc1ccc(Cl)cc1[O-])C[C@H]2COCC1CC1 ZINC001140462879 1021753314 /nfs/dbraw/zinc/75/33/14/1021753314.db2.gz NEZLCHNBRKFSMJ-INIZCTEOSA-N -1 3 375.900 3.788 20 10 GHCDHM CS(=O)(=O)c1cccc(C2CCN(Cc3ccc(Cl)cc3[O-])CC2)c1 ZINC001140464101 1021755697 /nfs/dbraw/zinc/75/56/97/1021755697.db2.gz BPGYVSRMNHXCBX-UHFFFAOYSA-N -1 3 379.909 3.829 20 10 GHCDHM C[C@H]1c2ncc(COc3cccnc3)n2CCN1Cc1ccc(Cl)cc1[O-] ZINC001140466004 1021761526 /nfs/dbraw/zinc/76/15/26/1021761526.db2.gz YDYFRPRDMWAHBM-AWEZNQCLSA-N -1 3 384.867 3.793 20 10 GHCDHM O=C(c1ccsc1)N1CCC[C@@]2(CCN(Cc3c([O-])cc(F)cc3F)C2)C1 ZINC001140581442 1022002471 /nfs/dbraw/zinc/00/24/71/1022002471.db2.gz SGNFEJRSTPIWQC-FQEVSTJZSA-N -1 3 392.471 3.860 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cc(F)ccc2Br)c1 ZINC000756457670 1023661709 /nfs/dbraw/zinc/66/17/09/1023661709.db2.gz SAIRUQLIQRZSBF-SNVBAGLBSA-N -1 3 382.229 3.931 20 10 GHCDHM COc1ccccc1[C@H](CO)N[C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756713180 1023785036 /nfs/dbraw/zinc/78/50/36/1023785036.db2.gz VWKWQEAQEYGLMG-BMIGLBTASA-N -1 3 384.245 3.687 20 10 GHCDHM [O-]c1c(F)cccc1CN1CCc2c(COCc3ccccn3)cncc2C1 ZINC001138125482 1024169523 /nfs/dbraw/zinc/16/95/23/1024169523.db2.gz QNQACLIMPJWFAZ-UHFFFAOYSA-N -1 3 379.435 3.596 20 10 GHCDHM [O-]c1c(F)cccc1CN1CCN(Cc2cccc(Br)c2)CC1 ZINC001138127768 1024175854 /nfs/dbraw/zinc/17/58/54/1024175854.db2.gz OWYXOASLVJSIRU-UHFFFAOYSA-N -1 3 379.273 3.612 20 10 GHCDHM COC(=O)CC[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141372995 1024761242 /nfs/dbraw/zinc/76/12/42/1024761242.db2.gz IKMNHDWSQBNYGY-JTQLQIEISA-N -1 3 376.678 3.583 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)c([O-])c1O ZINC001141450880 1025089536 /nfs/dbraw/zinc/08/95/36/1025089536.db2.gz MVBOGQYHTGLDEN-UHFFFAOYSA-N -1 3 377.322 3.863 20 10 GHCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC(C)(C)C ZINC001139129349 1025942030 /nfs/dbraw/zinc/94/20/30/1025942030.db2.gz WUBROIJYPSFTCZ-UVFQYZLESA-N -1 3 399.487 3.749 20 10 GHCDHM [O-]c1c(Cl)cc(Cl)cc1CN1C[C@@H]2CN(Cc3ccco3)CCO[C@@H]2C1 ZINC001203575087 1027443546 /nfs/dbraw/zinc/44/35/46/1027443546.db2.gz CPSBVFLPLJFNDN-KBXCAEBGSA-N -1 3 397.302 3.625 20 10 GHCDHM Cc1cc([O-])c(CN2CCCN(C(=O)c3ccc(F)cc3)CC2)c(Cl)c1 ZINC000840910394 1027946619 /nfs/dbraw/zinc/94/66/19/1027946619.db2.gz LVFRSAJOYCJIFS-UHFFFAOYSA-N -1 3 376.859 3.841 20 10 GHCDHM O=C([O-])[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000841798702 1028943770 /nfs/dbraw/zinc/94/37/70/1028943770.db2.gz LTHCLBCOKUMRNH-IBGZPJMESA-N -1 3 387.411 3.640 20 10 GHCDHM [O-]c1c(O)cccc1-c1nc(-c2cccc(I)c2F)no1 ZINC001215145728 1029058656 /nfs/dbraw/zinc/05/86/56/1029058656.db2.gz FWICNBUQAVWLIV-UHFFFAOYSA-N -1 3 398.131 3.559 20 10 GHCDHM COc1cc(Br)cnc1-c1noc(-c2ccc([O-])c(O)c2Cl)n1 ZINC001216951897 1030025356 /nfs/dbraw/zinc/02/53/56/1030025356.db2.gz OPWJRAZSENDENA-UHFFFAOYSA-N -1 3 398.600 3.634 20 10 GHCDHM COC(=O)CSc1cccc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001157726099 1033742045 /nfs/dbraw/zinc/74/20/45/1033742045.db2.gz DMTSRTCGIWHSIZ-UHFFFAOYSA-N -1 3 389.864 3.866 20 10 GHCDHM CCOC[C@H]1CN(Cc2ccc3ccccc3c2[O-])Cc2nnn(CC3CC3)c21 ZINC001231878856 1034963219 /nfs/dbraw/zinc/96/32/19/1034963219.db2.gz QWXNWNAZPVBUPQ-LJQANCHMSA-N -1 3 392.503 3.683 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCc2cc(Br)ccc21 ZINC001248109378 1035537002 /nfs/dbraw/zinc/53/70/02/1035537002.db2.gz GDPIDCHCXYMMEV-OAHLLOKOSA-N -1 3 379.229 3.781 20 10 GHCDHM COc1cc([O-])c(CN2CCCC[C@](C)(F)C2)cc1I ZINC001248461966 1035886345 /nfs/dbraw/zinc/88/63/45/1035886345.db2.gz IQCUWCSRFNPPQG-HNNXBMFYSA-N -1 3 393.240 3.720 20 10 GHCDHM COc1cc([O-])c(CN2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)cc1Cl ZINC001232266732 1037988018 /nfs/dbraw/zinc/98/80/18/1037988018.db2.gz RWRVAUNRUJHGIA-ZDUSSCGKSA-N -1 3 384.904 3.886 20 10 GHCDHM C[C@]1(CF)CC(F)(F)CN1Cc1ccc(I)cc1[O-] ZINC001232975326 1038745922 /nfs/dbraw/zinc/74/59/22/1038745922.db2.gz AGMGRTIGHOOIRU-GFCCVEGCSA-N -1 3 385.167 3.566 20 10 GHCDHM COc1cc([O-])c(CN2CCN(c3ccccc3C)CC2)cc1Br ZINC001233134702 1038916455 /nfs/dbraw/zinc/91/64/55/1038916455.db2.gz BWDVSEDWMBIQIK-UHFFFAOYSA-N -1 3 391.309 3.794 20 10 GHCDHM COc1cc([O-])c(CN2CCOC[C@H]2C2CCCCC2)cc1Br ZINC001233141119 1038920353 /nfs/dbraw/zinc/92/03/53/1038920353.db2.gz BCFOIQINAZVNIX-INIZCTEOSA-N -1 3 384.314 3.944 20 10 GHCDHM [O-]c1c(CN2CCCn3cnc(Cn4cccc4)c3C2)cccc1C(F)(F)F ZINC001233417688 1039276689 /nfs/dbraw/zinc/27/66/89/1039276689.db2.gz DNVOXEZGOUSSPY-UHFFFAOYSA-N -1 3 390.409 3.863 20 10 GHCDHM COc1ccc([C@H](C)Oc2cc([O-])cc3oc4cc(O)c(O)cc4c(=O)c23)cn1 ZINC001234749757 1040276713 /nfs/dbraw/zinc/27/67/13/1040276713.db2.gz WOKZATFODJSMSJ-JTQLQIEISA-N -1 3 395.367 3.607 20 10 GHCDHM Cc1cc(Cl)ccc1-c1nnc(-c2ccc([O-])c(CN3CCOCC3)c2)o1 ZINC001255356617 1040959209 /nfs/dbraw/zinc/95/92/09/1040959209.db2.gz YALJCJHBSOMQIE-UHFFFAOYSA-N -1 3 385.851 3.903 20 10 GHCDHM COc1ccnc(O[C@H]2CCN(Cc3cc(C)cc(Br)c3[O-])C2)c1 ZINC001236668413 1041814194 /nfs/dbraw/zinc/81/41/94/1041814194.db2.gz AVGHEHPLCULOQA-HNNXBMFYSA-N -1 3 393.281 3.520 20 10 GHCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001236792934 1041898172 /nfs/dbraw/zinc/89/81/72/1041898172.db2.gz KAAZVCCXFZJMKC-LIRRHRJNSA-N -1 3 395.286 3.906 20 10 GHCDHM COc1cc([O-])c(CN2CCN(c3cccc(F)c3)CC2)c(Br)c1 ZINC001237069234 1042020159 /nfs/dbraw/zinc/02/01/59/1042020159.db2.gz ZXTILLOGLJLGCG-UHFFFAOYSA-N -1 3 395.272 3.625 20 10 GHCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CC[C@@]2(C1)CCCN(c1ncccn1)C2 ZINC001237076954 1042024582 /nfs/dbraw/zinc/02/45/82/1042024582.db2.gz BINWBACXYLBNND-LJQANCHMSA-N -1 3 393.318 3.982 20 10 GHCDHM Cc1cc([O-])c(CN2CCN(c3ncccc3Cl)CC2)cc1Br ZINC001237683133 1042323844 /nfs/dbraw/zinc/32/38/44/1042323844.db2.gz WQXDTEBMADUEHP-UHFFFAOYSA-N -1 3 396.716 3.834 20 10 GHCDHM Cc1ccc2c(c1)CCN(Cc1cccc(I)c1[O-])C2 ZINC001237789231 1042371037 /nfs/dbraw/zinc/37/10/37/1042371037.db2.gz RHEACERJXOPUEB-UHFFFAOYSA-N -1 3 379.241 3.864 20 10 GHCDHM [O-]c1c(Cl)cc(F)cc1CN1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001237800207 1042376649 /nfs/dbraw/zinc/37/66/49/1042376649.db2.gz MFLDSKXIGNEBRY-WMZOPIPTSA-N -1 3 394.849 3.661 20 10 GHCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC001462616907 1070416407 /nfs/dbraw/zinc/41/64/07/1070416407.db2.gz GFWHXWIVMBMHTA-VIFPVBQESA-N -1 3 375.753 3.983 20 10 GHCDHM CCOC(=O)Cc1ccc2c(c1)CN(Cc1cc(F)c(Cl)cc1[O-])CC2 ZINC001237935732 1042427190 /nfs/dbraw/zinc/42/71/90/1042427190.db2.gz YEJOUMPISJHANQ-UHFFFAOYSA-N -1 3 377.843 3.849 20 10 GHCDHM Cc1cccc(CS(=O)(=O)[N-]c2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 ZINC001259742571 1045282550 /nfs/dbraw/zinc/28/25/50/1045282550.db2.gz PYOQYTHBONBSJT-UHFFFAOYSA-N -1 3 391.448 3.712 20 10 GHCDHM CCOC(=O)[C@@H](NCc1cc(Cl)c(C)cc1[O-])[C@H](O)c1ccc(Cl)cc1 ZINC001308876765 1050134762 /nfs/dbraw/zinc/13/47/62/1050134762.db2.gz GWYWASSYJKWHMA-ZWKOTPCHSA-N -1 3 398.286 3.762 20 10 GHCDHM CC(=O)Nc1ccc(NC(=O)NCc2c([O-])cccc2F)c(C(F)(F)F)c1 ZINC001309992316 1051091520 /nfs/dbraw/zinc/09/15/20/1051091520.db2.gz HCLGRDGAELXJRR-UHFFFAOYSA-N -1 3 385.317 3.830 20 10 GHCDHM CCOCCCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@H]1C ZINC001342319684 1053103796 /nfs/dbraw/zinc/10/37/96/1053103796.db2.gz BEXFJSBEDBPNEL-CYBMUJFWSA-N -1 3 387.509 3.676 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC001340356782 1059886660 /nfs/dbraw/zinc/88/66/60/1059886660.db2.gz HBRGPSBFWYUNNI-MRXNPFEDSA-N -1 3 377.420 3.516 20 10 GHCDHM O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)c1cccc(O)c1[O-] ZINC001452649150 1060979431 /nfs/dbraw/zinc/97/94/31/1060979431.db2.gz JGPPXIIDYKAHBD-UHFFFAOYSA-N -1 3 381.350 3.848 20 10 GHCDHM COc1ccc(CNC(=S)NCc2cc(Cl)c3cccnc3c2[O-])cc1 ZINC001200365537 1065993881 /nfs/dbraw/zinc/99/38/81/1065993881.db2.gz ATCLPYCJJMOMHU-UHFFFAOYSA-N -1 3 387.892 3.767 20 10 GHCDHM [O-]c1c(F)cc(Br)cc1CN1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC001474621254 1074488298 /nfs/dbraw/zinc/48/82/98/1074488298.db2.gz QQGSDIMYKFWMQK-DOTOQJQBSA-N -1 3 394.284 3.892 20 10 GHCDHM Cc1cc(C(=O)N2CC[C@H]2c2ccccc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234907 598610515 /nfs/dbraw/zinc/61/05/15/598610515.db2.gz PRBFIURECYGJJJ-NRFANRHFSA-N -1 3 398.470 3.861 20 10 GHCDHM Cc1cc(C(=O)N2CCC[C@@H](C)CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235138 598612017 /nfs/dbraw/zinc/61/20/17/598612017.db2.gz SGYKEADWAQNLNG-CQSZACIVSA-N -1 3 378.480 3.536 20 10 GHCDHM Cc1cc(C(=O)N([C@H](C)C(C)C)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227564 598612058 /nfs/dbraw/zinc/61/20/58/598612058.db2.gz MYMBYXCDLCVSCI-OAHLLOKOSA-N -1 3 392.507 3.923 20 10 GHCDHM Cc1cc(C(=O)N2C[C@H](C)CC[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822169021 599548653 /nfs/dbraw/zinc/54/86/53/599548653.db2.gz WKOZYRSVOKCMBG-ZIAGYGMSSA-N -1 3 378.480 3.535 20 10 GHCDHM Cc1cc(C)cc(N2C(=O)C(=Cc3cc(-c4nnn[n-]4)cs3)SC2=S)c1 ZINC000822196435 606336438 /nfs/dbraw/zinc/33/64/38/606336438.db2.gz JKUPXZNUAUDOGW-VGOFMYFVSA-N -1 3 399.526 3.951 20 10 GHCDHM Cc1cc(C)cc(N2C(=O)C(=Cc3cc(-c4nn[n-]n4)cs3)SC2=S)c1 ZINC000822196435 606336440 /nfs/dbraw/zinc/33/64/40/606336440.db2.gz JKUPXZNUAUDOGW-VGOFMYFVSA-N -1 3 399.526 3.951 20 10 GHCDHM CCS[C@H](C)c1noc(CN(C)Cc2cc(Br)ccc2[O-])n1 ZINC000180738107 837510064 /nfs/dbraw/zinc/51/00/64/837510064.db2.gz QQJIKTCSGIBHDV-SNVBAGLBSA-N -1 3 386.315 3.984 20 10 GHCDHM CO[C@H](C)c1nc(CN2CCCN(Cc3cc(F)cc(F)c3[O-])CC2)cs1 ZINC000894088631 844486450 /nfs/dbraw/zinc/48/64/50/844486450.db2.gz MYTYFXRRRUIIST-CYBMUJFWSA-N -1 3 397.491 3.542 20 10 GHCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC([C@@H](O)c3ccccc3)CC2)c1[O-] ZINC000124578603 841001129 /nfs/dbraw/zinc/00/11/29/841001129.db2.gz FYKIPARXKMCQNO-SFHVURJKSA-N -1 3 376.840 3.899 20 10 GHCDHM CCCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(CC)cc2)cc1 ZINC000740813058 866030184 /nfs/dbraw/zinc/03/01/84/866030184.db2.gz QCGHAXYTOXGGSD-UHFFFAOYSA-N -1 3 396.534 3.592 20 10 GHCDHM C[C@@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1 ZINC000857048110 881959496 /nfs/dbraw/zinc/95/94/96/881959496.db2.gz VFFVSWNHNGNUFH-CYBMUJFWSA-N -1 3 394.393 3.739 20 10 GHCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1 ZINC000742027393 867015902 /nfs/dbraw/zinc/01/59/02/867015902.db2.gz DFNQWCSPWKUVIT-UHFFFAOYSA-N -1 3 396.534 3.547 20 10 GHCDHM Cc1cc(C[N-]S(=O)(=O)c2ccc(/N=N/c3ccc(N(C)C)cc3)cc2)on1 ZINC001194207231 871555229 /nfs/dbraw/zinc/55/52/29/871555229.db2.gz QRVNRVTWMVWPSW-QURGRASLSA-N -1 3 399.476 3.943 20 10 GHCDHM Cc1ccc(NC(=O)C2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)nc1 ZINC000775653689 872368828 /nfs/dbraw/zinc/36/88/28/872368828.db2.gz MWPQNRDWKMDLQP-UHFFFAOYSA-N -1 3 377.847 3.739 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1coc(C2CCC2)n1 ZINC000768077127 873072500 /nfs/dbraw/zinc/07/25/00/873072500.db2.gz FAXUTJWOWLDLGG-MRXNPFEDSA-N -1 3 389.883 3.696 20 10 GHCDHM C[C@](O)(C1CCN(Cc2cccc(Br)c2[O-])CC1)C(F)(F)F ZINC000768531363 873365302 /nfs/dbraw/zinc/36/53/02/873365302.db2.gz CMHQEWUIGIGZHJ-AWEZNQCLSA-N -1 3 382.220 3.680 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)c([O-])c1O ZINC000770483403 874727868 /nfs/dbraw/zinc/72/78/68/874727868.db2.gz KUWOPVIZJSXDQE-UHFFFAOYSA-N -1 3 378.881 3.865 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cccc(OC(F)F)n1 ZINC001199305624 874900637 /nfs/dbraw/zinc/90/06/37/874900637.db2.gz UOBXFJKWLLHZAI-UHFFFAOYSA-N -1 3 379.750 3.520 20 10 GHCDHM [O-]c1c(Br)cccc1CN1CCC[C@H](Oc2ncccc2F)C1 ZINC000787288158 877297863 /nfs/dbraw/zinc/29/78/63/877297863.db2.gz IJOPTROCLPEVDD-ZDUSSCGKSA-N -1 3 381.245 3.732 20 10 GHCDHM CC[C@H](C)N(Cc1cc(F)cc(C(C)=O)c1[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000175681049 877422690 /nfs/dbraw/zinc/42/26/90/877422690.db2.gz BZWBHFKBLBYVFB-ZDUSSCGKSA-N -1 3 397.450 3.771 20 10 GHCDHM COC(=O)CN(Cc1nc2c(s1)CCCC2)Cc1cc(Cl)ccc1[O-] ZINC000776666761 879009818 /nfs/dbraw/zinc/00/98/18/879009818.db2.gz WDOJGALNNBTNHM-UHFFFAOYSA-N -1 3 380.897 3.556 20 10 GHCDHM CC[C@]1(CO)CCCN1Cc1cc(Br)cc(Br)c1[O-] ZINC000789565785 879075649 /nfs/dbraw/zinc/07/56/49/879075649.db2.gz JGRLMTKKYMHPOV-CQSZACIVSA-N -1 3 393.119 3.654 20 10 GHCDHM [O-]c1cccc(Cl)c1CN(CCO)Cc1ccc(Br)s1 ZINC000792196642 880981343 /nfs/dbraw/zinc/98/13/43/880981343.db2.gz QKQYSDRPEZFYIE-UHFFFAOYSA-N -1 3 376.703 3.864 20 10 GHCDHM [O-]c1ccc(Br)cc1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000809713678 887732506 /nfs/dbraw/zinc/73/25/06/887732506.db2.gz XKDMTYFIBMXKCJ-UHFFFAOYSA-N -1 3 387.071 3.913 20 10 GHCDHM Cc1noc(C)c1CO[C@@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000809749907 887786497 /nfs/dbraw/zinc/78/64/97/887786497.db2.gz MKZLQICVOMSQPE-CQSZACIVSA-N -1 3 381.270 3.551 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC(=O)N(C)c3ccccc32)c1 ZINC000809786303 887839416 /nfs/dbraw/zinc/83/94/16/887839416.db2.gz XDAZJNKMGKUSNT-UHFFFAOYSA-N -1 3 375.266 3.836 20 10 GHCDHM COC(=O)Cc1ccc(NCc2cc(Cl)c3cccnc3c2[O-])c(OC)c1 ZINC001168522827 891105380 /nfs/dbraw/zinc/10/53/80/891105380.db2.gz JSYRWSOUYHMIDF-UHFFFAOYSA-N -1 3 386.835 3.930 20 10 GHCDHM C[C@H](NCc1cccc(Br)c1[O-])c1ncc(Br)cn1 ZINC000814301761 892529948 /nfs/dbraw/zinc/52/99/48/892529948.db2.gz DDZPXXNGMJUFJJ-QMMMGPOBSA-N -1 3 387.075 3.558 20 10 GHCDHM C[C@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000815627743 894059074 /nfs/dbraw/zinc/05/90/74/894059074.db2.gz IHDCKELNUIGLKU-ZDUSSCGKSA-N -1 3 393.409 3.516 20 10 GHCDHM O=C(NCc1ccc(F)cc1)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816487772 894855066 /nfs/dbraw/zinc/85/50/66/894855066.db2.gz XQZRTYIPOQBUQO-UHFFFAOYSA-N -1 3 394.849 3.852 20 10 GHCDHM COc1cc2c(c(OC)c1OC)CCN(Cc1cc(Cl)c(F)cc1[O-])CC2 ZINC000816519243 894895379 /nfs/dbraw/zinc/89/53/79/894895379.db2.gz CPQRQSLKQTZOMA-UHFFFAOYSA-N -1 3 395.858 3.811 20 10 GHCDHM COc1ccc(Br)c(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000774943244 914121492 /nfs/dbraw/zinc/12/14/92/914121492.db2.gz YYMWDGHBNPEADL-UHFFFAOYSA-N -1 3 383.198 3.692 20 10 GHCDHM CO[C@@H]1CCCN(Cc2cc(Br)cc(Br)c2[O-])CC1 ZINC000783602795 897343394 /nfs/dbraw/zinc/34/33/94/897343394.db2.gz MINMSRVQLYIZLM-GFCCVEGCSA-N -1 3 393.119 3.918 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC(Cc3nc([C@@H]4C[C@@H]4C)no3)CC2)c1[O-] ZINC000844410081 900839875 /nfs/dbraw/zinc/83/98/75/900839875.db2.gz NBQFIWVAQJHRNO-YVEFUNNKSA-N -1 3 387.455 3.695 20 10 GHCDHM CC(=O)N1CCCCC12CCN(Cc1cc(Br)c(F)cc1[O-])CC2 ZINC001144299898 901651645 /nfs/dbraw/zinc/65/16/45/901651645.db2.gz LVJBFOZHCWUDAQ-UHFFFAOYSA-N -1 3 399.304 3.661 20 10 GHCDHM CCc1nc(C2CCN(Cc3cc(Br)c(F)cc3[O-])CC2)no1 ZINC001144306397 901685380 /nfs/dbraw/zinc/68/53/80/901685380.db2.gz AEAUINCBWQUMLP-UHFFFAOYSA-N -1 3 384.249 3.619 20 10 GHCDHM Cc1cnccc1O[C@H]1CCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144307705 901699512 /nfs/dbraw/zinc/69/95/12/901699512.db2.gz AJYGKNBUWYAQQZ-ZDUSSCGKSA-N -1 3 381.245 3.651 20 10 GHCDHM CCC(CC)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC001147519085 903808138 /nfs/dbraw/zinc/80/81/38/903808138.db2.gz NXVVSOOMBAMTAA-LJQANCHMSA-N -1 3 390.505 3.671 20 10 GHCDHM COc1ccc(NC(=O)c2ccc(NC(=O)c3cccc(O)c3[O-])cc2)cc1 ZINC001148218876 904009941 /nfs/dbraw/zinc/00/99/41/904009941.db2.gz LPQCQGRQLZRXPA-UHFFFAOYSA-N -1 3 378.384 3.611 20 10 GHCDHM CCN(Cc1csc(NC(C)=O)n1)Cc1cc(Br)ccc1[O-] ZINC000174423603 905268617 /nfs/dbraw/zinc/26/86/17/905268617.db2.gz DZYCWZOSWAYFFQ-UHFFFAOYSA-N -1 3 384.299 3.592 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC001179845553 909766281 /nfs/dbraw/zinc/76/62/81/909766281.db2.gz UTWUJPPIUONAOF-GOSISDBHSA-N -1 3 375.310 3.952 20 10 GHCDHM O=C(N[C@H]1CCCN(Cc2ccc(Br)cc2[O-])C1)c1ccccc1 ZINC001180092565 909913352 /nfs/dbraw/zinc/91/33/52/909913352.db2.gz MHNPULBKUXQSEJ-KRWDZBQOSA-N -1 3 389.293 3.549 20 10 GHCDHM O=S(=O)([N-]c1ccc(O)cc1Br)c1ccc(Cl)nc1Cl ZINC001187968493 915694355 /nfs/dbraw/zinc/69/43/55/915694355.db2.gz DCCSDLBAWHSTLM-UHFFFAOYSA-N -1 3 398.065 3.657 20 10 GHCDHM O=S(=O)(CCc1ccc(Cl)cc1)Nc1ccc([O-])c(Br)c1 ZINC001189104405 916404959 /nfs/dbraw/zinc/40/49/59/916404959.db2.gz UKZHVXOQHWCBFA-UHFFFAOYSA-N -1 3 390.686 3.793 20 10 GHCDHM COc1cc(CN(C)Cc2cc(F)cc(C(C)=O)c2[O-])ccc1OC(F)F ZINC000750818980 927872623 /nfs/dbraw/zinc/87/26/23/927872623.db2.gz GBEKKQNICDNFRX-UHFFFAOYSA-N -1 3 383.366 3.976 20 10 GHCDHM Cc1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)c([O-])c1O ZINC000780996462 930665894 /nfs/dbraw/zinc/66/58/94/930665894.db2.gz FPGOWIWWOBRQKG-UHFFFAOYSA-N -1 3 376.412 3.589 20 10 GHCDHM COCCN1C(=O)c2ccccc2N[C@@H]1c1cc(C)cc(Br)c1[O-] ZINC000781553618 930884419 /nfs/dbraw/zinc/88/44/19/930884419.db2.gz CDIJBDAHFMBLBX-KRWDZBQOSA-N -1 3 391.265 3.676 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN(C)Cc2cn(C)nc2C(F)(F)F)c1 ZINC000781907468 931022337 /nfs/dbraw/zinc/02/23/37/931022337.db2.gz CRITYXAKOACPSM-UHFFFAOYSA-N -1 3 392.219 3.847 20 10 GHCDHM O=S(=O)([N-]c1cccc(N2CCCC2)c1)c1ccc(OCC(F)F)cc1 ZINC000783946437 931726901 /nfs/dbraw/zinc/72/69/01/931726901.db2.gz PRNNORFGJKNMHW-UHFFFAOYSA-N -1 3 382.432 3.732 20 10 GHCDHM C[C@H]([NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])c1ccccc1[O-] ZINC001599902035 984853288 /nfs/dbraw/zinc/85/32/88/984853288.db2.gz GDTKNKUIWGOXTM-VIFPVBQESA-N -1 3 383.231 3.687 20 10 GHCDHM CN(Cc1cn(C)nc1C(F)(F)F)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC001598533087 992810900 /nfs/dbraw/zinc/81/09/00/992810900.db2.gz CNFYYJUMYQNIMP-UHFFFAOYSA-N -1 3 393.365 3.628 20 10 GHCDHM C[C@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593223337 994339020 /nfs/dbraw/zinc/33/90/20/994339020.db2.gz NWCABMYWWOAQJS-GRTSSRMGSA-N -1 3 378.469 3.577 20 10 GHCDHM CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cccc(CC)c1[O-] ZINC000834513926 1021236098 /nfs/dbraw/zinc/23/60/98/1021236098.db2.gz DVGFDJOXMTUJQM-UHFFFAOYSA-N -1 3 398.503 3.957 20 10 GHCDHM C[C@H](N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756779167 1023812288 /nfs/dbraw/zinc/81/22/88/1023812288.db2.gz QOXOWZVZWUYOQF-XXFAHNHDSA-N -1 3 384.785 3.919 20 10 GHCDHM COC(=O)[C@H]1C[C@H]2C[C@@H](C1)N(Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC001141374947 1024767263 /nfs/dbraw/zinc/76/72/63/1024767263.db2.gz SOYUQCMBNWWVSH-KWBADKCTSA-N -1 3 388.689 3.582 20 10 GHCDHM C[C@H]1CCN(Cc2c([O-])cccc2Br)CCN1C(=O)OC(C)(C)C ZINC001140098531 1026875148 /nfs/dbraw/zinc/87/51/48/1026875148.db2.gz DDRBMYYAJIRPAW-ZDUSSCGKSA-N -1 3 399.329 3.986 20 10 GHCDHM CC(C)(C)OC(=O)N1CCC2(CN(Cc3c([O-])cccc3Br)C2)C1 ZINC001140100630 1026879870 /nfs/dbraw/zinc/87/98/70/1026879870.db2.gz XGKSZYNLDWABRF-UHFFFAOYSA-N -1 3 397.313 3.598 20 10 GHCDHM O=C1CN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CN1CCC(F)(F)F ZINC000840116464 1027225496 /nfs/dbraw/zinc/22/54/96/1027225496.db2.gz XFMLXLSDAJZZPC-UHFFFAOYSA-N -1 3 382.382 3.571 20 10 GHCDHM [O-]c1c(Cl)cc(Cl)cc1CN1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC001203578610 1027446654 /nfs/dbraw/zinc/44/66/54/1027446654.db2.gz OLTFUJIUNNUZSC-KUHUBIRLSA-N -1 3 395.286 3.621 20 10 GHCDHM O=C1OC2(CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)c2cnccc21 ZINC001203582016 1027451202 /nfs/dbraw/zinc/45/12/02/1027451202.db2.gz MPWDDGBHMXPYHW-UHFFFAOYSA-N -1 3 379.243 3.756 20 10 GHCDHM O=C(OCc1ccccc1)[C@@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC001203636050 1027493866 /nfs/dbraw/zinc/49/38/66/1027493866.db2.gz NYJQLKMSMAMRRV-KRWDZBQOSA-N -1 3 390.277 3.863 20 10 GHCDHM [O-]c1ccc(Br)cc1CN1CCN(c2noc3ccccc32)CC1 ZINC001203636132 1027494208 /nfs/dbraw/zinc/49/42/08/1027494208.db2.gz PQADMRINBDBTCS-UHFFFAOYSA-N -1 3 388.265 3.618 20 10 GHCDHM CCOc1cccc(N2CCN(Cc3cc(Br)ccc3[O-])CC2)c1 ZINC001203645370 1027501900 /nfs/dbraw/zinc/50/19/00/1027501900.db2.gz FARVCQMERLSRQT-UHFFFAOYSA-N -1 3 391.309 3.876 20 10 GHCDHM C[C@@H]1c2ncc(COc3cccnc3)n2CCN1Cc1cc(Cl)ccc1[O-] ZINC001203658734 1027513952 /nfs/dbraw/zinc/51/39/52/1027513952.db2.gz NAYUFMGURBAAKG-CQSZACIVSA-N -1 3 384.867 3.793 20 10 GHCDHM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001141979925 1027800771 /nfs/dbraw/zinc/80/07/71/1027800771.db2.gz CQEDPFRPKPDKFC-UHFFFAOYSA-N -1 3 399.441 3.923 20 10 GHCDHM Cc1cc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)c(Br)cc1F ZINC001215327742 1029155243 /nfs/dbraw/zinc/15/52/43/1029155243.db2.gz QQKFSYANBCAFSO-UHFFFAOYSA-N -1 3 381.157 3.730 20 10 GHCDHM CC(=O)N1CCCc2cc(-c3noc(-c4ccc([O-])c(O)c4Cl)n3)ccc21 ZINC001216952115 1030024841 /nfs/dbraw/zinc/02/48/41/1030024841.db2.gz UISHQVRQPFLDLZ-UHFFFAOYSA-N -1 3 385.807 3.767 20 10 GHCDHM Cc1c([C@H](C)Oc2cc(C)cc3c2C(=O)c2c([O-])cccc2C3=O)cnn1C ZINC001229541924 1033548575 /nfs/dbraw/zinc/54/85/75/1033548575.db2.gz IMYQCAZOEMRMFT-ZDUSSCGKSA-N -1 3 376.412 3.658 20 10 GHCDHM COc1c([O-])c(CN2CCOc3c2cccc3C(F)(F)F)ccc1[N+](=O)[O-] ZINC001206514205 1033884407 /nfs/dbraw/zinc/88/44/07/1033884407.db2.gz NEBYWWBCQCDSTP-UHFFFAOYSA-N -1 3 384.310 3.727 20 10 GHCDHM CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccc(Br)cc2[O-])C1 ZINC001461911893 1069874457 /nfs/dbraw/zinc/87/44/57/1069874457.db2.gz REYAMURWFUYPKA-OAHLLOKOSA-N -1 3 399.329 3.986 20 10 GHCDHM CC1(C)Cc2c(cccc2Br)[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC001159704690 1034718084 /nfs/dbraw/zinc/71/80/84/1034718084.db2.gz LVGVTFQWTYMVED-MRXNPFEDSA-N -1 3 376.250 3.914 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@]23CCN(CC(C)C)C3=O)c1 ZINC001277540387 1034753841 /nfs/dbraw/zinc/75/38/41/1034753841.db2.gz LADJHPBLDCABNP-LJQANCHMSA-N -1 3 395.341 3.686 20 10 GHCDHM Cc1cc([O-])c(CN2CCO[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)cc1Cl ZINC001231867621 1034954237 /nfs/dbraw/zinc/95/42/37/1034954237.db2.gz NKZLOXKCSUGVSL-WMZOPIPTSA-N -1 3 396.915 3.564 20 10 GHCDHM Cc1cc([O-])c(CN2CCN(c3ccc(Br)cn3)CC2)cc1Cl ZINC001231869311 1034956469 /nfs/dbraw/zinc/95/64/69/1034956469.db2.gz QBXXTJIFOHDVRD-UHFFFAOYSA-N -1 3 396.716 3.834 20 10 GHCDHM CC[C@H]1CCCCN1Cc1ccc(OC)c(I)c1[O-] ZINC001248494128 1035913201 /nfs/dbraw/zinc/91/32/01/1035913201.db2.gz JFOLDZIUAYCTHV-LBPRGKRZSA-N -1 3 375.250 3.770 20 10 GHCDHM COc1cc([O-])c(CN2CCN(c3nc4ccccc4s3)CC2)cc1Cl ZINC001232264579 1037986842 /nfs/dbraw/zinc/98/68/42/1037986842.db2.gz LBJHPKNTROACIU-UHFFFAOYSA-N -1 3 389.908 3.986 20 10 GHCDHM COc1cc([O-])c(CN2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)cc1Cl ZINC001232266730 1037988337 /nfs/dbraw/zinc/98/83/37/1037988337.db2.gz RWRVAUNRUJHGIA-CYBMUJFWSA-N -1 3 384.904 3.886 20 10 GHCDHM CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(Cl)c(OC)cc1[O-] ZINC001232270101 1037994378 /nfs/dbraw/zinc/99/43/78/1037994378.db2.gz TYVPJSACWSWQKF-CQSZACIVSA-N -1 3 384.904 3.886 20 10 GHCDHM CCOC(=O)c1sc(-c2ccc([O-])c(CN3CCOCC3(C)C)c2)nc1C ZINC001232452879 1038237235 /nfs/dbraw/zinc/23/72/35/1038237235.db2.gz UWBVODRWQFAEAL-UHFFFAOYSA-N -1 3 390.505 3.612 20 10 GHCDHM [O-]c1cc(I)ccc1CN1CCCC(F)(F)[C@H](F)C1 ZINC001232974053 1038746231 /nfs/dbraw/zinc/74/62/31/1038746231.db2.gz HIJKCXIPLJQVNA-GFCCVEGCSA-N -1 3 385.167 3.566 20 10 GHCDHM O=C(NCc1cc(Cl)ccc1Br)NCc1c([O-])cccc1F ZINC001252269978 1038917156 /nfs/dbraw/zinc/91/71/56/1038917156.db2.gz KQBHBNZXMBKDKR-UHFFFAOYSA-N -1 3 387.636 3.947 20 10 GHCDHM COc1cc([O-])c(CN2CCO[C@@H](Cc3ccccc3)C2)cc1Br ZINC001233141006 1038919137 /nfs/dbraw/zinc/91/91/37/1038919137.db2.gz BQWYAKQCOQYXDL-INIZCTEOSA-N -1 3 392.293 3.607 20 10 GHCDHM COC(=O)c1cc(Br)c([O-])c(CN2CC[C@@H](C)C(F)(F)CC2)c1 ZINC001233306587 1039098025 /nfs/dbraw/zinc/09/80/25/1039098025.db2.gz VUXYQALENGAPEG-SNVBAGLBSA-N -1 3 392.240 3.809 20 10 GHCDHM [O-]c1ccc(F)c(F)c1CN1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001233336277 1039139328 /nfs/dbraw/zinc/13/93/28/1039139328.db2.gz GFVYFSLRLITGEU-SNVBAGLBSA-N -1 3 389.324 3.523 20 10 GHCDHM O=C(c1ccco1)N1C[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3[O-])[C@H]2C1 ZINC001233417921 1039277146 /nfs/dbraw/zinc/27/71/46/1039277146.db2.gz MYEXLJNZEFYPQK-CJNGLKHVSA-N -1 3 394.393 3.741 20 10 GHCDHM O=C1c2ccccc2CN1[C@H]1CCN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233419785 1039281590 /nfs/dbraw/zinc/28/15/90/1039281590.db2.gz MIWXDFHYCFPJQA-HNNXBMFYSA-N -1 3 376.378 3.641 20 10 GHCDHM [O-]c1c(CN2CC[C@@H](n3cc(Br)cn3)C2)cccc1C(F)(F)F ZINC001233420044 1039282794 /nfs/dbraw/zinc/28/27/94/1039282794.db2.gz XHYHNKLFJUAXEL-GFCCVEGCSA-N -1 3 390.203 3.817 20 10 GHCDHM O=c1c2cc(O)c(O)cc2oc2cc([O-])cc(O[C@H]3CCc4cccnc43)c12 ZINC001234746723 1040272691 /nfs/dbraw/zinc/27/26/91/1040272691.db2.gz DEDUCLSMAOPHBA-HNNXBMFYSA-N -1 3 377.352 3.524 20 10 GHCDHM COC(=O)c1ccc(CNCc2cc(Br)cc(F)c2[O-])c(F)c1 ZINC001462459551 1070268853 /nfs/dbraw/zinc/26/88/53/1070268853.db2.gz UANLZMVZDOJTBA-UHFFFAOYSA-N -1 3 386.192 3.509 20 10 GHCDHM COc1ccc(CN(C)Cc2cc(Br)cc(F)c2[O-])c(OC)c1 ZINC001235068402 1040557671 /nfs/dbraw/zinc/55/76/71/1040557671.db2.gz GLHVWEXERSDCQB-UHFFFAOYSA-N -1 3 384.245 3.943 20 10 GHCDHM [O-]c1c(Br)cc(F)cc1CN1CC[C@H](N2CCCCC2)[C@@H](F)C1 ZINC001235307867 1040782429 /nfs/dbraw/zinc/78/24/29/1040782429.db2.gz MIAKXNVVQZTQKR-HOTGVXAUSA-N -1 3 389.284 3.692 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC001236663074 1041810844 /nfs/dbraw/zinc/81/08/44/1041810844.db2.gz BHTRFFAMBSABCM-AWEZNQCLSA-N -1 3 399.329 3.952 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c1 ZINC001236663318 1041811098 /nfs/dbraw/zinc/81/10/98/1041811098.db2.gz LPORDASTXHLWKO-UGSOOPFHSA-N -1 3 397.313 3.562 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c1 ZINC001236669383 1041816490 /nfs/dbraw/zinc/81/64/90/1041816490.db2.gz IRCPCPDJQXWTBZ-DZGCQCFKSA-N -1 3 397.313 3.514 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@H](Oc3nccnc3C)C2)c1 ZINC001236671946 1041819275 /nfs/dbraw/zinc/81/92/75/1041819275.db2.gz ZRCWNCANKNUWFB-HNNXBMFYSA-N -1 3 392.297 3.605 20 10 GHCDHM COc1cc([O-])c(CN(C)Cc2cc(OC)c(OC)c(OC)c2)c(Cl)c1 ZINC001236804237 1041906006 /nfs/dbraw/zinc/90/60/06/1041906006.db2.gz SSARMIKPDAINMU-UHFFFAOYSA-N -1 3 381.856 3.712 20 10 GHCDHM COc1cc([O-])c(CN2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)c(Cl)c1 ZINC001236804691 1041906461 /nfs/dbraw/zinc/90/64/61/1041906461.db2.gz XAXCBMOYGYNYEJ-UHFFFAOYSA-N -1 3 382.888 3.543 20 10 GHCDHM COc1ccc(CN2C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]2C)c([O-])c1Cl ZINC001236812247 1041912199 /nfs/dbraw/zinc/91/21/99/1041912199.db2.gz UIIBLEKIJRXZIX-GXTWGEPZSA-N -1 3 384.904 3.932 20 10 GHCDHM O=C1CC[C@@H]2[C@@H](CCN2Cc2c([O-])ccc(F)c2Cl)N1CCC(F)(F)F ZINC001278022959 1041940773 /nfs/dbraw/zinc/94/07/73/1041940773.db2.gz FPTVZFKMQGHAJN-CHWSQXEVSA-N -1 3 394.796 3.702 20 10 GHCDHM COc1cc([O-])c(CN2CCOC[C@@H]2c2ccccc2)c(Br)c1 ZINC001237066527 1042018127 /nfs/dbraw/zinc/01/81/27/1042018127.db2.gz WVAKSSIWWLEUGK-QGZVFWFLSA-N -1 3 378.266 3.737 20 10 GHCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001237077880 1042024111 /nfs/dbraw/zinc/02/41/11/1042024111.db2.gz LLKMMFCSONUFRA-YPMHNXCESA-N -1 3 376.177 3.926 20 10 GHCDHM CC(C)(C)OC(=O)NC[C@@H]1[C@H]2CN(Cc3c([O-])ccc(Cl)c3Cl)C[C@H]21 ZINC001237077348 1042024195 /nfs/dbraw/zinc/02/41/95/1042024195.db2.gz GCIWTFXRSAPONP-CNDDSTCGSA-N -1 3 387.307 3.902 20 10 GHCDHM COc1ccc(C(=O)NC2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)cc1 ZINC001237620822 1042287858 /nfs/dbraw/zinc/28/78/58/1042287858.db2.gz QPUBEDLJYAVJRI-UHFFFAOYSA-N -1 3 392.858 3.588 20 10 GHCDHM Cc1cc([O-])c(CN2CCN(C(=O)CC(C)(C)C)CC2)cc1Br ZINC001237681538 1042323028 /nfs/dbraw/zinc/32/30/28/1042323028.db2.gz JBMJJOPNVOGSPY-UHFFFAOYSA-N -1 3 383.330 3.544 20 10 GHCDHM CCOCc1cnc2n1CCN(Cc1cc(Br)c(C)cc1[O-])[C@@H]2C ZINC001237684405 1042325111 /nfs/dbraw/zinc/32/51/11/1042325111.db2.gz UZQAAEHZFNCDKA-CYBMUJFWSA-N -1 3 394.313 3.773 20 10 GHCDHM Cc1cccc2c1CCN(Cc1cccc(I)c1[O-])C2 ZINC001237777900 1042364930 /nfs/dbraw/zinc/36/49/30/1042364930.db2.gz QCBHDYMNOPTMRK-UHFFFAOYSA-N -1 3 379.241 3.864 20 10 GHCDHM [O-]c1cc(Cl)c(F)cc1CN1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001237937039 1042428084 /nfs/dbraw/zinc/42/80/84/1042428084.db2.gz MABVATMVDSEJEE-FOIQADDNSA-N -1 3 392.858 3.782 20 10 GHCDHM Cc1ccc(CS(=O)(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc1 ZINC001259266815 1045054598 /nfs/dbraw/zinc/05/45/98/1045054598.db2.gz DRWACGFBYYSFRB-UHFFFAOYSA-N -1 3 376.865 3.522 20 10 GHCDHM CN(CC1CCOCC1)c1nnc(-c2sc3ncccc3c2[O-])n1CC1CC1 ZINC001263687065 1047049347 /nfs/dbraw/zinc/04/93/47/1047049347.db2.gz SHFPWWUOHCHOQM-UHFFFAOYSA-N -1 3 399.520 3.533 20 10 GHCDHM O=C(Cc1ccsc1)N1C[C@@H]2CCN(Cc3c([O-])ccc(F)c3Cl)[C@@H]2C1 ZINC001279683889 1047912572 /nfs/dbraw/zinc/91/25/72/1047912572.db2.gz LBCUNHVENVZDSD-XJKSGUPXSA-N -1 3 394.899 3.522 20 10 GHCDHM O=C([C@H]1CC12CCN(Cc1cc(Cl)cc(Cl)c1[O-])CC2)N1CC=CC1 ZINC001279976464 1048023670 /nfs/dbraw/zinc/02/36/70/1048023670.db2.gz XMFIVASSQUAMBQ-OAHLLOKOSA-N -1 3 381.303 3.700 20 10 GHCDHM CC(C)N1CCN(c2cccc(NC(=O)c3cc(F)cc(Cl)c3[O-])c2)CC1 ZINC001306822866 1048915444 /nfs/dbraw/zinc/91/54/44/1048915444.db2.gz SMTZOEXMFYZQJX-UHFFFAOYSA-N -1 3 391.874 3.967 20 10 GHCDHM CCOC(=O)[C@@H](NCc1cc(Cl)c(C)cc1[O-])[C@@H](O)c1ccc(Cl)cc1 ZINC001308876762 1050134900 /nfs/dbraw/zinc/13/49/00/1050134900.db2.gz GWYWASSYJKWHMA-ROUUACIJSA-N -1 3 398.286 3.762 20 10 GHCDHM CCOC(=O)[C@H](NCc1cc(Cl)c(C)cc1[O-])[C@@H](O)c1ccc(Cl)cc1 ZINC001308876756 1050135076 /nfs/dbraw/zinc/13/50/76/1050135076.db2.gz GWYWASSYJKWHMA-MSOLQXFVSA-N -1 3 398.286 3.762 20 10 GHCDHM O=C(NC/C=C\c1ccc(Br)cc1)NCc1c([O-])cccc1F ZINC001312754068 1052858833 /nfs/dbraw/zinc/85/88/33/1052858833.db2.gz DBSQAGZSEOJVLH-IHWYPQMZSA-N -1 3 379.229 3.806 20 10 GHCDHM CC(C)Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@]2(CCOC2)C1 ZINC001342769823 1053346261 /nfs/dbraw/zinc/34/62/61/1053346261.db2.gz FSTMNRBMLMXNHL-FQEVSTJZSA-N -1 3 399.520 3.533 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCOC[C@H](C2CCC2)C1 ZINC001343558176 1053877802 /nfs/dbraw/zinc/87/78/02/1053877802.db2.gz RZLSZGJYXGBFDU-CQSZACIVSA-N -1 3 399.520 3.533 20 10 GHCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC(CC(F)(F)F)CC1 ZINC001338748052 1058761168 /nfs/dbraw/zinc/76/11/68/1058761168.db2.gz FQZNKNXRTYQDRV-UHFFFAOYSA-N -1 3 397.426 3.966 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC001456101590 1062483319 /nfs/dbraw/zinc/48/33/19/1062483319.db2.gz SSXHNWQORAWWQN-UHFFFAOYSA-N -1 3 394.381 3.577 20 10 GHCDHM CC(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cc1[O-] ZINC001469613074 1068258493 /nfs/dbraw/zinc/25/84/93/1068258493.db2.gz NNPAHTPQPZAIKG-UHFFFAOYSA-N -1 3 394.393 3.866 20 10 GHCDHM COc1cc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)cc(OC)c1[O-] ZINC001471018560 1072887046 /nfs/dbraw/zinc/88/70/46/1072887046.db2.gz UQRFLOPMEVNMDJ-UHFFFAOYSA-N -1 3 380.444 3.747 20 10 GHCDHM C[C@H](C(=O)NCc1c([O-])cccc1F)c1ccc(I)cc1 ZINC001471976458 1073288308 /nfs/dbraw/zinc/28/83/08/1073288308.db2.gz ZPZXLENFIUVZEG-JTQLQIEISA-N -1 3 399.203 3.556 20 10 GHCDHM Cc1cc(-c2nc(Cc3ccccc3)no2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737221595 598608396 /nfs/dbraw/zinc/60/83/96/598608396.db2.gz NNDZZTNBBUSFMZ-UHFFFAOYSA-N -1 3 397.442 3.915 20 10 GHCDHM Cc1cc(C(=O)N2CCCc3ccccc32)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737232954 598609212 /nfs/dbraw/zinc/60/92/12/598609212.db2.gz BKFBUVKREFXCCM-UHFFFAOYSA-N -1 3 398.470 3.867 20 10 GHCDHM Cc1cc(C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234851 598609590 /nfs/dbraw/zinc/60/95/90/598609590.db2.gz RSORMJWAZJWBDG-OAHLLOKOSA-N -1 3 386.459 3.765 20 10 GHCDHM C[C@H]1C[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)CC[C@H]1NC(=O)[O-] ZINC000739185254 603398574 /nfs/dbraw/zinc/39/85/74/603398574.db2.gz OTSSNSPVSRURQE-MEDUHNTESA-N -1 3 393.281 3.786 20 10 GHCDHM C[C@H]1C[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)CC[C@H]1NC(=O)[O-] ZINC000739185254 603398578 /nfs/dbraw/zinc/39/85/78/603398578.db2.gz OTSSNSPVSRURQE-MEDUHNTESA-N -1 3 393.281 3.786 20 10 GHCDHM C[C@@H]1CCCC[C@@H]1N1C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)SC1=S ZINC000820703572 606335688 /nfs/dbraw/zinc/33/56/88/606335688.db2.gz HXZVZEUBMDEUGA-BLMBABSGSA-N -1 3 391.547 3.708 20 10 GHCDHM C[C@@H]1CCCC[C@@H]1N1C(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)SC1=S ZINC000820703572 606335690 /nfs/dbraw/zinc/33/56/90/606335690.db2.gz HXZVZEUBMDEUGA-BLMBABSGSA-N -1 3 391.547 3.708 20 10 GHCDHM CCOCCOCc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1C ZINC000278948943 842369995 /nfs/dbraw/zinc/36/99/95/842369995.db2.gz ZAFRPHZHLUMFIH-UHFFFAOYSA-N -1 3 390.436 3.783 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CCC(Nc2cccc(Br)c2)CC1 ZINC000279611983 843163683 /nfs/dbraw/zinc/16/36/83/843163683.db2.gz WXRTUKNIVGILPU-UHFFFAOYSA-N -1 3 391.265 3.577 20 10 GHCDHM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000899730521 861608383 /nfs/dbraw/zinc/60/83/83/861608383.db2.gz KGMKPGCPYNXWFY-UHFFFAOYSA-N -1 3 399.441 3.923 20 10 GHCDHM CC(=O)NCC[C@@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894781418 852198367 /nfs/dbraw/zinc/19/83/67/852198367.db2.gz OTSBCHIDQBTRLM-LBPRGKRZSA-N -1 3 389.721 3.546 20 10 GHCDHM COc1ccc2ccc([O-])c(CN3CCn4c(nnc4-c4ccccc4)C3)c2c1 ZINC000173556300 864874157 /nfs/dbraw/zinc/87/41/57/864874157.db2.gz CHANIHJHQBKJFY-UHFFFAOYSA-N -1 3 386.455 3.828 20 10 GHCDHM O=C(c1cc2occc2s1)N1CCN(Cc2c([O-])ccc3ccncc32)CC1 ZINC000741244854 866336424 /nfs/dbraw/zinc/33/64/24/866336424.db2.gz FNMZVHDZCWIICY-UHFFFAOYSA-N -1 3 393.468 3.706 20 10 GHCDHM Cc1cc(C(=O)Cn2cc(Cl)c(=O)[n-]c2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000746140332 870074078 /nfs/dbraw/zinc/07/40/78/870074078.db2.gz VMMUHIKJNPKBSZ-UHFFFAOYSA-N -1 3 385.851 3.510 20 10 GHCDHM Cc1ccc(C(=O)Nc2cccc(CN(C)Cc3cscn3)c2)c([O-])c1O ZINC000182426401 872324840 /nfs/dbraw/zinc/32/48/40/872324840.db2.gz FRXDBMIVXYHGGW-UHFFFAOYSA-N -1 3 383.473 3.747 20 10 GHCDHM O=C(Nc1ccccc1)NC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775660645 872447100 /nfs/dbraw/zinc/44/71/00/872447100.db2.gz GHFPEOMYVSTJLK-UHFFFAOYSA-N -1 3 377.847 3.971 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cccnc1OC(F)F ZINC001195736228 872637137 /nfs/dbraw/zinc/63/71/37/872637137.db2.gz AEFNIOHDXHIVLV-UHFFFAOYSA-N -1 3 379.750 3.520 20 10 GHCDHM O=C(CSc1ccccc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000768913794 873681672 /nfs/dbraw/zinc/68/16/72/873681672.db2.gz AQPVYXUCBVEOCS-QGZVFWFLSA-N -1 3 390.936 3.919 20 10 GHCDHM [O-]c1ccc(Cl)cc1CN1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000769386538 874014687 /nfs/dbraw/zinc/01/46/87/874014687.db2.gz AOTOYWPWDMLKJO-GOSISDBHSA-N -1 3 381.303 3.550 20 10 GHCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cnc(C2CC2)s1 ZINC000771059411 875014644 /nfs/dbraw/zinc/01/46/44/875014644.db2.gz QUVRZWQQHDSGSH-HNNXBMFYSA-N -1 3 391.924 3.774 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1scnc1Cl ZINC000771066271 875018814 /nfs/dbraw/zinc/01/88/14/875018814.db2.gz QKSCAPAVIYYOLH-GFCCVEGCSA-N -1 3 386.304 3.550 20 10 GHCDHM COc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)cc(Br)c1[O-] ZINC000007701130 875950214 /nfs/dbraw/zinc/95/02/14/875950214.db2.gz SKEHAVMNMLJVGT-LCYFTJDESA-N -1 3 397.294 3.620 20 10 GHCDHM C[C@H](NCc1cnc(C(F)(F)F)nc1)c1cc(Br)cc(F)c1[O-] ZINC000850485588 876959512 /nfs/dbraw/zinc/95/95/12/876959512.db2.gz LLXLAKKKQVBQKI-ZETCQYMHSA-N -1 3 394.166 3.953 20 10 GHCDHM COc1c([O-])c(CNc2ccc(C)c(C(=O)N3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000787311951 877337505 /nfs/dbraw/zinc/33/75/05/877337505.db2.gz YXUSFGIDNUYJCV-UHFFFAOYSA-N -1 3 399.447 3.856 20 10 GHCDHM C[C@H]1CN(Cc2cc(Br)cc(Br)c2[O-])CCC[C@@H]1O ZINC001203563865 912404023 /nfs/dbraw/zinc/40/40/23/912404023.db2.gz AHRANBYZCWPQOR-ZANVPECISA-N -1 3 393.119 3.510 20 10 GHCDHM [O-]c1ccc(Br)cc1CN1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000180542090 879001295 /nfs/dbraw/zinc/00/12/95/879001295.db2.gz ZBUXYYCTSWTYAT-ZBFHGGJFSA-N -1 3 398.322 3.541 20 10 GHCDHM COCCN(C(=O)c1cccc(O)c1[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000790596333 879850867 /nfs/dbraw/zinc/85/08/67/879850867.db2.gz FPKNUOWZHYSYHY-LBPRGKRZSA-N -1 3 383.366 3.966 20 10 GHCDHM COc1cccc(C(NC(=O)c2cccc(O)c2[O-])c2cccc(OC)c2)c1 ZINC000790858831 880058001 /nfs/dbraw/zinc/05/80/01/880058001.db2.gz IQFMKPSFSUTWBU-UHFFFAOYSA-N -1 3 379.412 3.634 20 10 GHCDHM CCN(CC)C(=O)[C@H](Cc1ccccc1)NCc1c([O-])ccc(Cl)c1F ZINC000790944810 880091681 /nfs/dbraw/zinc/09/16/81/880091681.db2.gz LGQFWAVMRFXJFH-KRWDZBQOSA-N -1 3 378.875 3.754 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000791077461 880192638 /nfs/dbraw/zinc/19/26/38/880192638.db2.gz LXQUWVUZUJXXRE-AWEZNQCLSA-N -1 3 391.265 3.577 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1)c1ccc(Cl)cc1 ZINC001184047040 912984716 /nfs/dbraw/zinc/98/47/16/912984716.db2.gz ZMJOIQDXUBWUHW-OAHLLOKOSA-N -1 3 380.822 3.718 20 10 GHCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)OC(C)C)c1 ZINC000808110464 886020459 /nfs/dbraw/zinc/02/04/59/886020459.db2.gz OPCAHMGZYMFNGI-UHFFFAOYSA-N -1 3 377.462 3.629 20 10 GHCDHM Cc1cc(N(C)C)ccc1C[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC001212202723 886204901 /nfs/dbraw/zinc/20/49/01/886204901.db2.gz VFRSDUQFNGJCPA-ZDUSSCGKSA-N -1 3 384.904 3.763 20 10 GHCDHM CN(Cc1nccn1CC(F)(F)F)Cc1c([O-])cccc1Br ZINC000862239070 886239500 /nfs/dbraw/zinc/23/95/00/886239500.db2.gz ULTFYECTZOPAOU-UHFFFAOYSA-N -1 3 378.192 3.546 20 10 GHCDHM CC(C)(C)c1ncc2c(n1)CCN(Cc1c([O-])cccc1Br)C2 ZINC000862441019 886383849 /nfs/dbraw/zinc/38/38/49/886383849.db2.gz QUEUGKDVMWDSQK-UHFFFAOYSA-N -1 3 376.298 3.801 20 10 GHCDHM C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(C(C)(C)C)cc1 ZINC000919812277 886434737 /nfs/dbraw/zinc/43/47/37/886434737.db2.gz ZTUWVZDPYLAOLD-ZDUSSCGKSA-N -1 3 390.505 3.552 20 10 GHCDHM C[C@@H](NCc1nn(C)cc1C(F)F)c1cc(Br)c(F)cc1[O-] ZINC000866564923 888940084 /nfs/dbraw/zinc/94/00/84/888940084.db2.gz FQORUQCSTFNEDH-SSDOTTSWSA-N -1 3 378.192 3.816 20 10 GHCDHM Cc1nc(-c2ccc(NC(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)cc(=O)[n-]1 ZINC000916684144 889338754 /nfs/dbraw/zinc/33/87/54/889338754.db2.gz DJNMCZSFSLKZRH-UHFFFAOYSA-N -1 3 391.475 3.888 20 10 GHCDHM COc1ccc(OC)c([C@@H]2CCCN2Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000774822035 913648378 /nfs/dbraw/zinc/64/83/78/913648378.db2.gz XRCUFQGEQNLNOA-INIZCTEOSA-N -1 3 388.420 3.663 20 10 GHCDHM Cc1nc(C(C)C)oc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000815835261 894246036 /nfs/dbraw/zinc/24/60/36/894246036.db2.gz OHIAQNUOQBVMDS-INIZCTEOSA-N -1 3 391.899 3.860 20 10 GHCDHM O=C(NCCc1cccs1)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816498262 894848773 /nfs/dbraw/zinc/84/87/73/894848773.db2.gz NYQLHIILZVXPKV-UHFFFAOYSA-N -1 3 396.915 3.817 20 10 GHCDHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)c1 ZINC001170858843 895454226 /nfs/dbraw/zinc/45/42/26/895454226.db2.gz SAYMSJDYNSMKNJ-UHFFFAOYSA-N -1 3 377.444 3.688 20 10 GHCDHM COC(=O)c1cnc([C@@H](C)NCc2cc(C)cc(Br)c2[O-])s1 ZINC000818230749 896090901 /nfs/dbraw/zinc/09/09/01/896090901.db2.gz DIJGLDGEXSSQDF-SECBINFHSA-N -1 3 385.283 3.557 20 10 GHCDHM COC(=O)c1cnc([C@H](C)N[C@@H](C)c2ccc(Br)cc2[O-])s1 ZINC000818357708 896143782 /nfs/dbraw/zinc/14/37/82/896143782.db2.gz IITKZBSOCBYECV-IUCAKERBSA-N -1 3 385.283 3.810 20 10 GHCDHM COc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1Br ZINC000774926544 914092197 /nfs/dbraw/zinc/09/21/97/914092197.db2.gz JABKDIMPCGIAIF-UHFFFAOYSA-N -1 3 383.198 3.692 20 10 GHCDHM CC(=O)Nc1cccc2c1CCN(Cc1ccc(Br)cc1[O-])C2 ZINC000824606261 899717282 /nfs/dbraw/zinc/71/72/82/899717282.db2.gz QCHSKOPSQIRUAC-UHFFFAOYSA-N -1 3 375.266 3.671 20 10 GHCDHM COC[C@@]1(C)CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000824583685 899724026 /nfs/dbraw/zinc/72/40/26/899724026.db2.gz OUIQZBXDHKKKDI-AWEZNQCLSA-N -1 3 393.119 3.776 20 10 GHCDHM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093889126 901575954 /nfs/dbraw/zinc/57/59/54/901575954.db2.gz QIMVQQZCZGWPFA-NDHGSNPTSA-N -1 3 382.869 3.884 20 10 GHCDHM CC(C)(C)OC(=O)n1ccc2cc(CCNC(=O)c3cccc(O)c3[O-])ccc21 ZINC001148224455 904011436 /nfs/dbraw/zinc/01/14/36/904011436.db2.gz MFEXKBGWEWNDFG-UHFFFAOYSA-N -1 3 396.443 3.808 20 10 GHCDHM Cc1cc(C)nc(Sc2ccc(NC(=O)c3cc(O)c([O-])c(O)c3)cc2)n1 ZINC001148587119 904127733 /nfs/dbraw/zinc/12/77/33/904127733.db2.gz DLGCUEZELIOQME-UHFFFAOYSA-N -1 3 383.429 3.614 20 10 GHCDHM COc1c([O-])c(CN[C@H](c2cccc(C)c2)c2ccccn2)ccc1[N+](=O)[O-] ZINC000365806262 921177459 /nfs/dbraw/zinc/17/74/59/921177459.db2.gz OHBWNMNEEWNNNT-LJQANCHMSA-N -1 3 379.416 3.892 20 10 GHCDHM Cc1cc([O-])c(CN2CCN(c3ccc(Br)cn3)CC2)c(Cl)c1 ZINC001180239420 910041396 /nfs/dbraw/zinc/04/13/96/910041396.db2.gz KDCYKWSNODEBHZ-UHFFFAOYSA-N -1 3 396.716 3.834 20 10 GHCDHM COC(=O)c1ccccc1CCC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001181160916 910551750 /nfs/dbraw/zinc/55/17/50/910551750.db2.gz JLUQLWAMOAQPTR-UHFFFAOYSA-N -1 3 398.846 3.629 20 10 GHCDHM CCS(=O)(=O)c1ccc([C@@H](C)NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000284090291 911747959 /nfs/dbraw/zinc/74/79/59/911747959.db2.gz RPAKMGVCSHUAIH-LLVKDONJSA-N -1 3 398.868 3.598 20 10 GHCDHM CN(C(=O)OC(C)(C)C)C1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000093283072 912163514 /nfs/dbraw/zinc/16/35/14/912163514.db2.gz UFWXPTWPMTVCRE-UHFFFAOYSA-N -1 3 399.329 3.986 20 10 GHCDHM Cc1cccc([O-])c1C(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001188648393 916076843 /nfs/dbraw/zinc/07/68/43/916076843.db2.gz HTNYOKMJXWBHFD-UHFFFAOYSA-N -1 3 380.366 3.562 20 10 GHCDHM O=[N+]([O-])c1cc(Cl)cc(CNCc2c(F)cccc2N2CCCC2)c1[O-] ZINC000796443655 917320944 /nfs/dbraw/zinc/32/09/44/917320944.db2.gz XYVQMBJDMGZDSA-UHFFFAOYSA-N -1 3 379.819 3.983 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1[O-] ZINC000796593742 918575818 /nfs/dbraw/zinc/57/58/18/918575818.db2.gz MEIZNYLCGOXYFU-GASCZTMLSA-N -1 3 394.899 3.547 20 10 GHCDHM [O-]c1ccc2oc3c(c2c1CN1CCO[C@@H](c2noc(C4CC4)n2)C1)CCCC3 ZINC000750007149 927390984 /nfs/dbraw/zinc/39/09/84/927390984.db2.gz BZZJIAXDMXHEPK-LJQANCHMSA-N -1 3 395.459 3.851 20 10 GHCDHM CN(Cc1ccccn1)Cc1cc(Br)cc(Br)c1[O-] ZINC000757890719 929841956 /nfs/dbraw/zinc/84/19/56/929841956.db2.gz TWSSJRFAYJTXJC-UHFFFAOYSA-N -1 3 386.087 3.944 20 10 GHCDHM CC(=O)c1cc(CN2CC=C(C(C)(C)C)CC2)c([O-])c(CN2CCOCC2)c1 ZINC000758359364 930021242 /nfs/dbraw/zinc/02/12/42/930021242.db2.gz TUIXVCUEYUPCCN-UHFFFAOYSA-N -1 3 386.536 3.605 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)c([O-])c1O ZINC000780896020 930631185 /nfs/dbraw/zinc/63/11/85/930631185.db2.gz INPVDRVKBNVLKC-UHFFFAOYSA-N -1 3 394.402 3.728 20 10 GHCDHM COC(=O)CN(CC/C=C\c1cncc(OC)c1)Cc1cc(Cl)ccc1[O-] ZINC000828062935 935571715 /nfs/dbraw/zinc/57/17/15/935571715.db2.gz VNCYOUPGYUPPNX-HYXAFXHYSA-N -1 3 390.867 3.528 20 10 GHCDHM COc1ccc(N(Cc2ccco2)Cc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000737098959 944959139 /nfs/dbraw/zinc/95/91/39/944959139.db2.gz IJVAFKRGVZVXIM-UHFFFAOYSA-N -1 3 379.395 3.814 20 10 GHCDHM COc1ccc(N(Cc2ccco2)Cc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000737098959 944959151 /nfs/dbraw/zinc/95/91/51/944959151.db2.gz IJVAFKRGVZVXIM-UHFFFAOYSA-N -1 3 379.395 3.814 20 10 GHCDHM CC[C@]([NH2+]Cc1cc(Br)cc(C)c1[O-])(C(=O)[O-])c1ccccc1 ZINC001595298263 980415052 /nfs/dbraw/zinc/41/50/52/980415052.db2.gz FASMEMPNPOTQDD-GOSISDBHSA-N -1 3 378.266 3.943 20 10 GHCDHM O=C1C[C@@]2(CN1CC(F)(F)F)CCCCN2Cc1cccc(Cl)c1[O-] ZINC001277231854 1032517033 /nfs/dbraw/zinc/51/70/33/1032517033.db2.gz GKUKNKTXMJPSTE-MRXNPFEDSA-N -1 3 376.806 3.565 20 10 GHCDHM Cn1ccnc1[C@H](Cc1ccccc1)NCc1c([O-])cccc1Br ZINC001203024492 1021396285 /nfs/dbraw/zinc/39/62/85/1021396285.db2.gz BGYFABMJHVTCBJ-KRWDZBQOSA-N -1 3 386.293 3.962 20 10 GHCDHM CCOC[C@@H]1CN(Cc2c([O-])cccc2Cl)Cc2ncn(CC3CC3)c21 ZINC001140338349 1021445525 /nfs/dbraw/zinc/44/55/25/1021445525.db2.gz GKVCNTRAISCLHI-HNNXBMFYSA-N -1 3 375.900 3.788 20 10 GHCDHM [O-]c1cccc(Cl)c1CN1CCO[C@@H]2[C@H](COCc3cccnc3)CC[C@@H]21 ZINC001140344457 1021458631 /nfs/dbraw/zinc/45/86/31/1021458631.db2.gz KHSZIFPKPAJQGB-NBHGPNQESA-N -1 3 388.895 3.637 20 10 GHCDHM O=C(CCCN1CCN(Cc2ccc(Cl)cc2[O-])CC1)c1ccc(F)cc1 ZINC001140468292 1021766095 /nfs/dbraw/zinc/76/60/95/1021766095.db2.gz FBASMBDKEJHOCR-UHFFFAOYSA-N -1 3 390.886 3.965 20 10 GHCDHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(Cc1c([O-])cc(F)cc1F)C2 ZINC001140582661 1022004042 /nfs/dbraw/zinc/00/40/42/1022004042.db2.gz MCGUEJXOEXEXGK-FQEVSTJZSA-N -1 3 382.451 3.893 20 10 GHCDHM COCCOc1ncccc1CN[C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756433352 1023647085 /nfs/dbraw/zinc/64/70/85/1023647085.db2.gz XZGBWBWZDQIULE-LLVKDONJSA-N -1 3 399.260 3.565 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001205061254 1033231368 /nfs/dbraw/zinc/23/13/68/1033231368.db2.gz QEYAHTOMHLKQPL-CQSZACIVSA-N -1 3 399.329 3.904 20 10 GHCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCN(Cc2ccccc2)C[C@@H]1C ZINC001139129430 1025941230 /nfs/dbraw/zinc/94/12/30/1025941230.db2.gz ZKRQRZRWNNKXJC-KRWDZBQOSA-N -1 3 378.472 3.513 20 10 GHCDHM O=C(C1CCCCC1)N1CCCN(Cc2c([O-])cccc2Br)CC1 ZINC001140103020 1026884136 /nfs/dbraw/zinc/88/41/36/1026884136.db2.gz FAYZMUGPMJXLAD-UHFFFAOYSA-N -1 3 395.341 3.769 20 10 GHCDHM [O-]c1ccc(Cl)cc1CN1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001203659660 1027515993 /nfs/dbraw/zinc/51/59/93/1027515993.db2.gz WZYONNOKLPBFMH-URKNILKWSA-N -1 3 394.924 3.698 20 10 GHCDHM O=C([O-])C[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccsc1 ZINC000841794444 1028940049 /nfs/dbraw/zinc/94/00/49/1028940049.db2.gz GIMHZEXEEWOVMN-MRXNPFEDSA-N -1 3 389.477 3.952 20 10 GHCDHM Cc1ccc([C@@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000841794512 1028941036 /nfs/dbraw/zinc/94/10/36/1028941036.db2.gz HTXWIUHUHOBRHW-HXUWFJFHSA-N -1 3 383.448 3.809 20 10 GHCDHM Cc1cc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)c(F)cc1Br ZINC001215327734 1029154834 /nfs/dbraw/zinc/15/48/34/1029154834.db2.gz QKMVXUOYVXNKJX-UHFFFAOYSA-N -1 3 381.157 3.730 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)c([O-])c1O ZINC001143039186 1029801354 /nfs/dbraw/zinc/80/13/54/1029801354.db2.gz ZLAVUJHXWGGTGU-UHFFFAOYSA-N -1 3 376.412 3.589 20 10 GHCDHM COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NCc1ccc(Cl)cc1[O-] ZINC001205379503 1033386405 /nfs/dbraw/zinc/38/64/05/1033386405.db2.gz GJIUACSJTMQXNV-UHFFFAOYSA-N -1 3 398.912 3.743 20 10 GHCDHM Cc1nn(C)cc1[C@@H](C)Oc1cc(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001229542825 1033549993 /nfs/dbraw/zinc/54/99/93/1033549993.db2.gz QBTAEWRTXLNCAS-CYBMUJFWSA-N -1 3 376.412 3.658 20 10 GHCDHM CC(C)=CCNC(=O)[C@@H]1CC12CCN(Cc1cc(F)cc(Cl)c1[O-])CC2 ZINC001277505779 1034511802 /nfs/dbraw/zinc/51/18/02/1034511802.db2.gz CIZAEPWJKSKEPD-INIZCTEOSA-N -1 3 380.891 3.869 20 10 GHCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](Oc3cccc(Br)c3)C2)c([O-])c1 ZINC001231453662 1034596722 /nfs/dbraw/zinc/59/67/22/1034596722.db2.gz NYVMHDWXRHJDFX-MRXNPFEDSA-N -1 3 392.249 3.506 20 10 GHCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H](Oc3cccc(Br)c3)C2)c([O-])c1 ZINC001231453662 1034596730 /nfs/dbraw/zinc/59/67/30/1034596730.db2.gz NYVMHDWXRHJDFX-MRXNPFEDSA-N -1 3 392.249 3.506 20 10 GHCDHM C[C@H](c1ccccc1)[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])[C@@H]1CN2CCC1CC2 ZINC001231566406 1034714854 /nfs/dbraw/zinc/71/48/54/1034714854.db2.gz ISBLIDAEOPYGJF-IIBYNOLFSA-N -1 3 380.488 3.748 20 10 GHCDHM C[C@H](c1ccccc1)[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])[C@@H]1CN2CCC1CC2 ZINC001231566406 1034714866 /nfs/dbraw/zinc/71/48/66/1034714866.db2.gz ISBLIDAEOPYGJF-IIBYNOLFSA-N -1 3 380.488 3.748 20 10 GHCDHM CC[C@H](C)N1CC[C@@]2(CCCN2Cc2cc(C)cc(Br)c2[O-])C1=O ZINC001277541778 1034763200 /nfs/dbraw/zinc/76/32/00/1034763200.db2.gz ZIEVCVUPVBWVNK-LIRRHRJNSA-N -1 3 395.341 3.829 20 10 GHCDHM Cc1cc([O-])c(CN2CCc3c(c(COCC4CC4)nn3C)C2)cc1Cl ZINC001231868373 1034955486 /nfs/dbraw/zinc/95/54/86/1034955486.db2.gz ASTAMQCADSPDHS-UHFFFAOYSA-N -1 3 375.900 3.572 20 10 GHCDHM COC[C@H]1CN(Cc2cc(Cl)c(C)cc2[O-])Cc2nn(CC3CC3)cc21 ZINC001231868582 1034955521 /nfs/dbraw/zinc/95/55/21/1034955521.db2.gz UVBKCJWWBXRREQ-MRXNPFEDSA-N -1 3 375.900 3.706 20 10 GHCDHM CC(C)(C)OC(=O)N1CC[C@H]2OCCN(Cc3ccc4ccccc4c3[O-])[C@H]2C1 ZINC001231879595 1034964000 /nfs/dbraw/zinc/96/40/00/1034964000.db2.gz JPJUDXCZWNYLKU-VQTJNVASSA-N -1 3 398.503 3.756 20 10 GHCDHM CN(Cc1cc(Br)cc(F)c1[O-])C[C@H]1COc2ccccc2O1 ZINC001462037016 1069959983 /nfs/dbraw/zinc/95/99/83/1069959983.db2.gz GCUSDRCQNDWETF-ZDUSSCGKSA-N -1 3 382.229 3.566 20 10 GHCDHM CCOc1ccccc1N1CCN(Cc2cc(Cl)c(OC)cc2[O-])CC1 ZINC001232263791 1037984801 /nfs/dbraw/zinc/98/48/01/1037984801.db2.gz AGEWRFYJXFIXOH-UHFFFAOYSA-N -1 3 376.884 3.775 20 10 GHCDHM CCOC(=O)c1sc(-c2ccc([O-])c(CN3CCCC(=O)CC3)c2)nc1C ZINC001232452331 1038237083 /nfs/dbraw/zinc/23/70/83/1038237083.db2.gz UNXBZQQEDQEURJ-UHFFFAOYSA-N -1 3 388.489 3.556 20 10 GHCDHM [O-]c1cc(I)ccc1CN1CC[C@H](F)C(F)(F)CC1 ZINC001232974278 1038746684 /nfs/dbraw/zinc/74/66/84/1038746684.db2.gz JWGLKECKRUJBTB-LBPRGKRZSA-N -1 3 385.167 3.566 20 10 GHCDHM CC1(C(=O)N2CCCC2)CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001235069459 1040560796 /nfs/dbraw/zinc/56/07/96/1040560796.db2.gz TWVRBJZDZKEQNR-UHFFFAOYSA-N -1 3 399.304 3.518 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)NCC1(c2ccc(Br)cc2)CC1 ZINC001255033789 1040743795 /nfs/dbraw/zinc/74/37/95/1040743795.db2.gz ADZHLAKZUCFFLV-UHFFFAOYSA-N -1 3 393.256 3.825 20 10 GHCDHM [O-]c1ccc(F)c(F)c1CN1CCN[C@@H](c2cccc(Br)c2)C1 ZINC001235799282 1041303542 /nfs/dbraw/zinc/30/35/42/1041303542.db2.gz MGPZXALEOGQSAA-OAHLLOKOSA-N -1 3 383.236 3.579 20 10 GHCDHM CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3cc(Cl)c(Cl)cc3[O-])C[C@H]2C1 ZINC001236792261 1041898598 /nfs/dbraw/zinc/89/85/98/1041898598.db2.gz CXWBJYCIJDSCGM-BETUJISGSA-N -1 3 387.307 3.998 20 10 GHCDHM O=c1ccc2c(n1CC1CC1)CCN(Cc1cc(Cl)c(Cl)cc1[O-])CC2 ZINC001236794314 1041899278 /nfs/dbraw/zinc/89/92/78/1041899278.db2.gz VPHDNLZSTUNDFB-UHFFFAOYSA-N -1 3 393.314 3.872 20 10 GHCDHM O=C(C[C@H]1[C@H]2CN(Cc3cc(Cl)c(Cl)cc3[O-])C[C@@H]12)NCc1ccco1 ZINC001236794231 1041899508 /nfs/dbraw/zinc/89/95/08/1041899508.db2.gz UQKBDDGLDQIBRH-QDMKHBRRSA-N -1 3 395.286 3.676 20 10 GHCDHM COc1ccc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c([O-])c1Cl ZINC001236801640 1041904053 /nfs/dbraw/zinc/90/40/53/1041904053.db2.gz LENICHIAAIEECR-UONOGXRCSA-N -1 3 382.888 3.638 20 10 GHCDHM COc1cc([O-])c(CN2CCOC[C@@H]2c2csc(C)n2)c(Br)c1 ZINC001237061845 1042016327 /nfs/dbraw/zinc/01/63/27/1042016327.db2.gz LNLXJXCOXHJPFD-OAHLLOKOSA-N -1 3 399.310 3.502 20 10 GHCDHM COc1cc([O-])c(CN2CCc3cc(F)c(F)cc3C2)c(Br)c1 ZINC001237067308 1042018396 /nfs/dbraw/zinc/01/83/96/1042018396.db2.gz HXTIWRQRQXNUTK-UHFFFAOYSA-N -1 3 384.220 4.000 20 10 GHCDHM O=C(c1ccco1)N1CC[C@H]2CN(Cc3c([O-])ccc(Cl)c3Cl)C[C@H]21 ZINC001237079560 1042025545 /nfs/dbraw/zinc/02/55/45/1042025545.db2.gz DIQCUFYUVXZSQP-SMDDNHRTSA-N -1 3 381.259 3.639 20 10 GHCDHM O=C1CC2(CN1CC1CC1)CCN(Cc1c([O-])ccc(Cl)c1Cl)CC2 ZINC001237086997 1042029743 /nfs/dbraw/zinc/02/97/43/1042029743.db2.gz RCQRWAWSGMXINA-UHFFFAOYSA-N -1 3 383.319 3.924 20 10 GHCDHM CCOC(=O)Cc1ccc2c(c1)CN(Cc1c([O-])ccc(F)c1Cl)CC2 ZINC001237125007 1042053000 /nfs/dbraw/zinc/05/30/00/1042053000.db2.gz UVSNOFWPEHHEEW-UHFFFAOYSA-N -1 3 377.843 3.849 20 10 GHCDHM Cc1cc([O-])c(CN2[C@@H](CO)CCC[C@@H]2C(F)(F)F)cc1Br ZINC001237675807 1042316899 /nfs/dbraw/zinc/31/68/99/1042316899.db2.gz BNHWVONSPUAQRU-BXUZGUMPSA-N -1 3 382.220 3.741 20 10 GHCDHM Cc1cc([O-])c(CN2CCC23CN(C(=O)OC(C)(C)C)C3)cc1Br ZINC001237678809 1042321059 /nfs/dbraw/zinc/32/10/59/1042321059.db2.gz CQWJNKPHGMPYCJ-UHFFFAOYSA-N -1 3 397.313 3.658 20 10 GHCDHM [O-]c1c(I)cccc1CN1CCC[C@@H](C(F)(F)F)C1 ZINC001237780693 1042365540 /nfs/dbraw/zinc/36/55/40/1042365540.db2.gz VRNIYAUAAASGQQ-SNVBAGLBSA-N -1 3 385.167 3.771 20 10 GHCDHM O=C(Nc1ccccc1)NC1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237940454 1042430499 /nfs/dbraw/zinc/43/04/99/1042430499.db2.gz LHBJOFATBQCCQO-UHFFFAOYSA-N -1 3 377.847 3.971 20 10 GHCDHM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)ccc1O ZINC001261019102 1045844458 /nfs/dbraw/zinc/84/44/58/1045844458.db2.gz GJZICOYMFAKPKM-UHFFFAOYSA-N -1 3 377.315 3.554 20 10 GHCDHM COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cc1 ZINC000755987049 1050906156 /nfs/dbraw/zinc/90/61/56/1050906156.db2.gz XRQVANLHBLLBMS-YFHOEESVSA-N -1 3 389.473 3.811 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC001310341159 1051297030 /nfs/dbraw/zinc/29/70/30/1051297030.db2.gz WKPSBYGZQHTHAY-UHFFFAOYSA-N -1 3 398.394 3.692 20 10 GHCDHM O=C(NCc1ccc(COCC(F)(F)F)cc1)NCc1c([O-])cccc1F ZINC001311512889 1052213101 /nfs/dbraw/zinc/21/31/01/1052213101.db2.gz VNVZPLGTNGAFAB-UHFFFAOYSA-N -1 3 386.345 3.610 20 10 GHCDHM COc1cc(Br)ccc1[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC001312511046 1052772174 /nfs/dbraw/zinc/77/21/74/1052772174.db2.gz FBEKGLJCSUTFKI-SNVBAGLBSA-N -1 3 397.244 3.863 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)c1cc2c(ccc(Br)c2F)[nH]1 ZINC001456029175 1062418985 /nfs/dbraw/zinc/41/89/85/1062418985.db2.gz KJSWIXBOWNNUNP-UHFFFAOYSA-N -1 3 381.176 3.844 20 10 GHCDHM [O-]c1c2cccnc2sc1-c1nnc(N2CCC(F)(F)CC2)n1CC1CC1 ZINC001350615473 1064143276 /nfs/dbraw/zinc/14/32/76/1064143276.db2.gz XKIIESZBYCEEAK-UHFFFAOYSA-N -1 3 391.447 3.906 20 10 GHCDHM O=C(NCc1ccc(Oc2cccc(F)c2)nc1)NCc1c([O-])cccc1F ZINC001477743494 1078550423 /nfs/dbraw/zinc/55/04/23/1078550423.db2.gz WKXZPPKEWLBVDY-UHFFFAOYSA-N -1 3 385.370 3.857 20 10 GHCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@H]2CCOc3c(Br)cccc32)c1 ZINC000765618010 1068117299 /nfs/dbraw/zinc/11/72/99/1068117299.db2.gz DOLLQXQEZDAMDY-AWEZNQCLSA-N -1 3 379.210 3.676 20 10 GHCDHM O=c1c2ccccc2ncn1C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC001474755276 1074546886 /nfs/dbraw/zinc/54/68/86/1074546886.db2.gz IWQPLRFUISDGEG-UHFFFAOYSA-N -1 3 387.842 3.732 20 10 GHCDHM O=S(=O)(CCCc1ccc(C(F)(F)F)cc1)NCc1c([O-])cccc1F ZINC001475707349 1075004101 /nfs/dbraw/zinc/00/41/01/1075004101.db2.gz RJTYMOOPZZFWFA-UHFFFAOYSA-N -1 3 391.386 3.602 20 10 GHCDHM Cc1cccc(C=C2SC(=S)N(c3ccccc3-c3nnn[n-]3)C2=O)c1C ZINC000737392110 598541963 /nfs/dbraw/zinc/54/19/63/598541963.db2.gz OFQVESHXWAXOQX-YBEGLDIGSA-N -1 3 393.497 3.889 20 10 GHCDHM Cc1cccc(C=C2SC(=S)N(c3ccccc3-c3nn[n-]n3)C2=O)c1C ZINC000737392110 598541964 /nfs/dbraw/zinc/54/19/64/598541964.db2.gz OFQVESHXWAXOQX-YBEGLDIGSA-N -1 3 393.497 3.889 20 10 GHCDHM Cc1cc(C(=O)Nc2cccc(F)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737238627 598609655 /nfs/dbraw/zinc/60/96/55/598609655.db2.gz QKPHIWFXGSAGDG-UHFFFAOYSA-N -1 3 376.395 3.666 20 10 GHCDHM Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227952 598610652 /nfs/dbraw/zinc/61/06/52/598610652.db2.gz RBGGXFNBUQFFDC-JLTOFOAXSA-N -1 3 392.507 3.925 20 10 GHCDHM Cc1cc(C(=O)N2c3ccccc3C[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235703 598611207 /nfs/dbraw/zinc/61/12/07/598611207.db2.gz YMBUFSXFPOGVKH-CQSZACIVSA-N -1 3 398.470 3.866 20 10 GHCDHM O=C([O-])Nc1ccc2c(c1)CC[C@@H]2NCc1ccc(N2CCOCC2)c(F)c1 ZINC000834261797 605583850 /nfs/dbraw/zinc/58/38/50/605583850.db2.gz FNADTVWDELIMSR-IBGZPJMESA-N -1 3 385.439 3.529 20 10 GHCDHM Cc1ccc(C)c(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)s3)SC2=S)c1 ZINC000822231910 606393878 /nfs/dbraw/zinc/39/38/78/606393878.db2.gz MHCAJMBZKJQEAK-RIYZIHGNSA-N -1 3 399.526 3.951 20 10 GHCDHM CCc1cccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)s3)SC2=S)c1 ZINC000821492357 606393972 /nfs/dbraw/zinc/39/39/72/606393972.db2.gz NDNZABLUDFVQAA-NTEUORMPSA-N -1 3 399.526 3.896 20 10 GHCDHM COc1c([O-])c(CNc2ccc3c(c2)CCC(=O)N3CC2CC2)ccc1[N+](=O)[O-] ZINC000278501702 835243033 /nfs/dbraw/zinc/24/30/33/835243033.db2.gz NVFQYAZLFDMMRT-UHFFFAOYSA-N -1 3 397.431 3.610 20 10 GHCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000235747710 836596782 /nfs/dbraw/zinc/59/67/82/836596782.db2.gz MFWGXIQUNNIWTB-UHFFFAOYSA-N -1 3 376.659 3.917 20 10 GHCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CC[C@H](c2ccccc2)O1 ZINC001167742006 840524787 /nfs/dbraw/zinc/52/47/87/840524787.db2.gz VWQNCTUZQIPVAE-UYAOXDASSA-N -1 3 389.879 3.941 20 10 GHCDHM COC(=O)CN(Cc1cccc(OC(F)F)c1)Cc1cc(Cl)ccc1[O-] ZINC000732202790 862142959 /nfs/dbraw/zinc/14/29/59/862142959.db2.gz CZIGJURNGDBWBH-UHFFFAOYSA-N -1 3 385.794 3.822 20 10 GHCDHM CCN(Cc1cc(Br)ccc1[O-])Cc1nc(N)c2ccccc2n1 ZINC000157080789 854960873 /nfs/dbraw/zinc/96/08/73/854960873.db2.gz RVNYZKYCQUKSBQ-UHFFFAOYSA-N -1 3 387.281 3.702 20 10 GHCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1C ZINC000172887637 864059799 /nfs/dbraw/zinc/05/97/99/864059799.db2.gz DYQKLGAACDWEEJ-UHFFFAOYSA-N -1 3 396.534 3.681 20 10 GHCDHM CC(=O)c1cc(CN2C[C@@H](C)[C@H]2c2ccccc2)c([O-])c(CN2CCOCC2)c1 ZINC000173459413 864740135 /nfs/dbraw/zinc/74/01/35/864740135.db2.gz YHQRUEVTRPDUHV-HXOBKFHXSA-N -1 3 394.515 3.620 20 10 GHCDHM C[C@H](NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(F)cc1[O-] ZINC000184965891 865080751 /nfs/dbraw/zinc/08/07/51/865080751.db2.gz SRAYDBPVHNGMOO-HNNXBMFYSA-N -1 3 392.496 3.557 20 10 GHCDHM CCN(Cc1nnc(-c2ccco2)o1)Cc1cc(Br)ccc1[O-] ZINC000174423723 865789443 /nfs/dbraw/zinc/78/94/43/865789443.db2.gz LIPDHAAWZSGDFD-UHFFFAOYSA-N -1 3 378.226 3.820 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@@H]2Nc3ccc(Cl)cc3C(=O)N2CC2CC2)c1 ZINC000740898571 866087578 /nfs/dbraw/zinc/08/75/78/866087578.db2.gz YBLJQYXMJRWSQI-GOSISDBHSA-N -1 3 386.835 3.809 20 10 GHCDHM CCN(CC(=O)OCc1ccccc1)Cc1cc(Br)ccc1[O-] ZINC000743873227 868469722 /nfs/dbraw/zinc/46/97/22/868469722.db2.gz KONPRTGEJHWGRN-UHFFFAOYSA-N -1 3 378.266 3.720 20 10 GHCDHM COc1ccccc1OC(=O)Nc1ccc([O-])c2c1C(=O)c1ccccc1C2=O ZINC001195266219 872293160 /nfs/dbraw/zinc/29/31/60/872293160.db2.gz GZQFTDUODXWKEJ-UHFFFAOYSA-N -1 3 389.363 3.787 20 10 GHCDHM COC(=O)CN(Cc1occc1Br)Cc1cc(Cl)ccc1[O-] ZINC000769382479 874010383 /nfs/dbraw/zinc/01/03/83/874010383.db2.gz XFCBHPOZFKHMOQ-UHFFFAOYSA-N -1 3 388.645 3.576 20 10 GHCDHM CC(C)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(Cl)cc1 ZINC000769637688 874182008 /nfs/dbraw/zinc/18/20/08/874182008.db2.gz SSNBXAFOWTZHHF-QGZVFWFLSA-N -1 3 396.896 3.544 20 10 GHCDHM [O-]c1c(F)cc(Br)cc1CNCc1cccc(C(F)(F)F)n1 ZINC001202475311 876439522 /nfs/dbraw/zinc/43/95/22/876439522.db2.gz SVAZYCLQKCMKKR-UHFFFAOYSA-N -1 3 379.151 3.997 20 10 GHCDHM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)c1 ZINC000788754941 878291044 /nfs/dbraw/zinc/29/10/44/878291044.db2.gz XYSVNEYGSGVYSM-UHFFFAOYSA-N -1 3 377.462 3.603 20 10 GHCDHM Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3cccc(O)c3[O-])c2)c1 ZINC000776633079 878656451 /nfs/dbraw/zinc/65/64/51/878656451.db2.gz LRPPUIOWGCJAEB-UHFFFAOYSA-N -1 3 391.427 3.980 20 10 GHCDHM COc1ccccc1[C@H]1CN(Cc2c([O-])cccc2Br)CCO1 ZINC001183363893 912439181 /nfs/dbraw/zinc/43/91/81/912439181.db2.gz OIORZCAEMWIMKL-GOSISDBHSA-N -1 3 378.266 3.737 20 10 GHCDHM Cc1noc(C(F)F)c1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000761981042 885085175 /nfs/dbraw/zinc/08/51/75/885085175.db2.gz FQOQRLDGRXKGAE-ZDUSSCGKSA-N -1 3 399.825 3.674 20 10 GHCDHM CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)c3cccc(O)c3[O-])cccc21 ZINC000807858123 885788147 /nfs/dbraw/zinc/78/81/47/885788147.db2.gz DAGRNYHILZFHMP-UHFFFAOYSA-N -1 3 398.459 3.716 20 10 GHCDHM CCOC(=O)[C@H](NCc1cc(Cl)c(C)cc1[O-])c1ccc(OC)c(F)c1 ZINC000825563181 886982345 /nfs/dbraw/zinc/98/23/45/886982345.db2.gz UUAPQAPHRLZWPD-GOSISDBHSA-N -1 3 381.831 3.896 20 10 GHCDHM Cc1noc(C)c1CO[C@@H]1CCN(Cc2cc(C)cc(Br)c2[O-])C1 ZINC000809750306 887786429 /nfs/dbraw/zinc/78/64/29/887786429.db2.gz TVTCUJXXUADMNH-OAHLLOKOSA-N -1 3 395.297 3.859 20 10 GHCDHM CS(=O)(=O)c1ccc(CNCc2cc(Cl)cc(F)c2[O-])cc1Cl ZINC000763400586 889223486 /nfs/dbraw/zinc/22/34/86/889223486.db2.gz YFFHWLFOCSULMZ-UHFFFAOYSA-N -1 3 378.252 3.531 20 10 GHCDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)c(C)c1 ZINC000811704201 889877929 /nfs/dbraw/zinc/87/79/29/889877929.db2.gz BMPFHFBIYGZPAO-UHFFFAOYSA-N -1 3 379.478 3.825 20 10 GHCDHM COC(=O)c1cc2nc(NCc3cc(Cl)c4cccnc4c3[O-])ccc2n1C ZINC001168523007 891506675 /nfs/dbraw/zinc/50/66/75/891506675.db2.gz YAMMCBKGGNYCOU-UHFFFAOYSA-N -1 3 396.834 3.879 20 10 GHCDHM CN(C)c1ccc(CN(C)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000126101625 893286293 /nfs/dbraw/zinc/28/62/93/893286293.db2.gz PTROZQBPNIBTIX-UHFFFAOYSA-N -1 3 392.297 3.562 20 10 GHCDHM C[C@H](c1ccccc1)N(Cc1ccccc1O)Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000878325610 894196180 /nfs/dbraw/zinc/19/61/80/894196180.db2.gz LEMDFLKXPKUJFU-MRXNPFEDSA-N -1 3 391.471 3.724 20 10 GHCDHM C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1cccc(O)c1[O-] ZINC000816817754 895108397 /nfs/dbraw/zinc/10/83/97/895108397.db2.gz JQMDLLJVLPJIKC-BZNIZROVSA-N -1 3 381.350 3.719 20 10 GHCDHM COc1c([O-])c(CNCc2cc(F)ccc2Br)ccc1[N+](=O)[O-] ZINC000774979479 914330220 /nfs/dbraw/zinc/33/02/20/914330220.db2.gz ZEWZODFKLDJIKP-UHFFFAOYSA-N -1 3 385.189 3.500 20 10 GHCDHM O=C(CC1CCCC1)N1CCCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824555009 899685128 /nfs/dbraw/zinc/68/51/28/899685128.db2.gz ASQCSFAVKGECPG-UHFFFAOYSA-N -1 3 395.341 3.769 20 10 GHCDHM COc1ccc(N(C)CCN(C)Cc2nc3c4ccccc4oc3c(=O)[n-]2)cc1 ZINC000844402462 900800360 /nfs/dbraw/zinc/80/03/60/900800360.db2.gz YDRNIYPZENRSIX-UHFFFAOYSA-N -1 3 392.459 3.658 20 10 GHCDHM CCOCc1nc([C@H](C)N[C@H](CC)c2cc(Br)ccc2[O-])no1 ZINC000290155756 914550010 /nfs/dbraw/zinc/55/00/10/914550010.db2.gz LOUXWODSFFQYAA-GXFFZTMASA-N -1 3 384.274 3.876 20 10 GHCDHM [O-]c1cc(F)c(Br)cc1CN1CC2(CCN2Cc2ccccc2)C1 ZINC001144306566 901685301 /nfs/dbraw/zinc/68/53/01/901685301.db2.gz HGDBRJKZGAUWJA-UHFFFAOYSA-N -1 3 391.284 3.754 20 10 GHCDHM CCC(=O)N(CC)C1CCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144308491 901700372 /nfs/dbraw/zinc/70/03/72/901700372.db2.gz ZHRBTLVSUDTZFC-UHFFFAOYSA-N -1 3 387.293 3.517 20 10 GHCDHM COc1c([O-])c(CN[C@H]2COc3c2ccc(Cl)c3Cl)ccc1[N+](=O)[O-] ZINC000775031199 914635683 /nfs/dbraw/zinc/63/56/83/914635683.db2.gz ZFEMQXSGXGOCQH-NSHDSACASA-N -1 3 385.203 3.839 20 10 GHCDHM COC1CCN(c2ccc(CN3CCc4cccc(C(=O)[O-])c4C3)cc2)CC1 ZINC000846275640 902839594 /nfs/dbraw/zinc/83/95/94/902839594.db2.gz RVWMARBDSXYNLT-UHFFFAOYSA-N -1 3 380.488 3.558 20 10 GHCDHM COc1cc(Br)ccc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779054432 903579843 /nfs/dbraw/zinc/57/98/43/903579843.db2.gz XFFUEZMDGMGIFX-SNVBAGLBSA-N -1 3 381.226 3.922 20 10 GHCDHM CC(C)(CNC(=O)c1cc(O)c([O-])c(O)c1)Cc1ccc(C(F)(F)F)cc1 ZINC001148590823 904130562 /nfs/dbraw/zinc/13/05/62/904130562.db2.gz RCXXUFPPTSECBN-UHFFFAOYSA-N -1 3 383.366 3.821 20 10 GHCDHM CCOC(=O)[C@H](Cc1cccc(Cl)c1)NCc1cc(F)cc(C(C)=O)c1[O-] ZINC001175183008 907423480 /nfs/dbraw/zinc/42/34/80/907423480.db2.gz FKIPKUYZVHMZDC-SFHVURJKSA-N -1 3 393.842 3.651 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)c1[O-] ZINC001176849235 908293115 /nfs/dbraw/zinc/29/31/15/908293115.db2.gz LOPJMDCNOQCETG-NRFANRHFSA-N -1 3 392.471 3.709 20 10 GHCDHM CN(C(=O)c1ccc(C(=O)NCc2c([O-])cccc2F)cc1)c1ccccc1 ZINC001178412669 909048801 /nfs/dbraw/zinc/04/88/01/909048801.db2.gz DHSNEHVSFVSKTL-UHFFFAOYSA-N -1 3 378.403 3.738 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])C1=NO[C@H](c2ccccc2)C1 ZINC001178807427 909237815 /nfs/dbraw/zinc/23/78/15/909237815.db2.gz IXUFNSLKPPREJZ-KRWDZBQOSA-N -1 3 381.819 3.728 20 10 GHCDHM COc1cccc(N2CCN(Cc3cc(C)cc(Br)c3[O-])CC2)c1 ZINC001180523311 910199691 /nfs/dbraw/zinc/19/96/91/910199691.db2.gz SGMBHMUESVEHJR-UHFFFAOYSA-N -1 3 391.309 3.794 20 10 GHCDHM Cc1cc([O-])c(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC001180540989 910228430 /nfs/dbraw/zinc/22/84/30/910228430.db2.gz YCOLOWUQPKRIPH-UHFFFAOYSA-N -1 3 379.287 3.965 20 10 GHCDHM O=S(=O)([N-]Cc1cc2ccccc2cc1O)c1ccc(Cl)nc1Cl ZINC001187985088 915664867 /nfs/dbraw/zinc/66/48/67/915664867.db2.gz BYQXFDPPHGTFRK-UHFFFAOYSA-N -1 3 383.256 3.726 20 10 GHCDHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1Cl ZINC000775291196 916838134 /nfs/dbraw/zinc/83/81/34/916838134.db2.gz FENKDVQUWIRFMO-UHFFFAOYSA-N -1 3 382.869 3.730 20 10 GHCDHM COc1c([O-])c(CN2CC[C@@](F)(c3cc(C)cc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000800536158 920251134 /nfs/dbraw/zinc/25/11/34/920251134.db2.gz NHXLATQOZOGLPH-IBGZPJMESA-N -1 3 378.375 3.827 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@@H]2N(C)c3ccccc3C(=O)N2Cc2ccco2)c1 ZINC000726796766 926857728 /nfs/dbraw/zinc/85/77/28/926857728.db2.gz CUWVXSYPLYQABD-HXUWFJFHSA-N -1 3 392.411 3.563 20 10 GHCDHM O=C(NCc1nc(CNCc2c([O-])cccc2Cl)cs1)c1ccccc1 ZINC000749926324 927352851 /nfs/dbraw/zinc/35/28/51/927352851.db2.gz OSAZUJUFQVJYNA-UHFFFAOYSA-N -1 3 387.892 3.722 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN(C)Cc2ccc(C(=O)NC3CC3)cc2)c1[O-] ZINC000750036183 927399676 /nfs/dbraw/zinc/39/96/76/927399676.db2.gz MJGJLOCCOZFIFU-UHFFFAOYSA-N -1 3 386.879 3.772 20 10 GHCDHM Cc1sc2[n-]c([C@@H](C)OC(=O)C=Cc3ccc(O)c(O)c3)nc(=O)c2c1C ZINC000759588303 930414676 /nfs/dbraw/zinc/41/46/76/930414676.db2.gz KJMJVGGGJNGYEB-BREXMAIKSA-N -1 3 386.429 3.743 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)c([O-])c1O ZINC000781444578 930850401 /nfs/dbraw/zinc/85/04/01/930850401.db2.gz OQLHIAYALBUZHC-UHFFFAOYSA-N -1 3 394.349 3.500 20 10 GHCDHM Cc1ccc([C@H](NCc2c([O-])ccc(Cl)c2F)[C@@H](C)S(C)(=O)=O)cc1 ZINC000798088782 932525597 /nfs/dbraw/zinc/52/55/97/932525597.db2.gz VHFRHKMGZBQGCR-KZULUSFZSA-N -1 3 385.888 3.757 20 10 GHCDHM CCCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2CC)cc1 ZINC000777631786 932620583 /nfs/dbraw/zinc/62/05/83/932620583.db2.gz BZAQMCZJNWCJMV-UHFFFAOYSA-N -1 3 396.534 3.592 20 10 GHCDHM [O-]c1cccc(F)c1CN1CCN(Cc2ccc(Br)cc2)CC1 ZINC001137837357 935816655 /nfs/dbraw/zinc/81/66/55/935816655.db2.gz CPHYNVNRHCOXBW-UHFFFAOYSA-N -1 3 379.273 3.612 20 10 GHCDHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)C1 ZINC001227937107 1032704866 /nfs/dbraw/zinc/70/48/66/1032704866.db2.gz BNODHHJBHDHBRP-OAHLLOKOSA-N -1 3 399.443 3.717 20 10 GHCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1OC[C@H]1COc2ccccc2O1 ZINC001227937181 1032705483 /nfs/dbraw/zinc/70/54/83/1032705483.db2.gz DMQIZVMOJOFERX-OAHLLOKOSA-N -1 3 378.380 3.548 20 10 GHCDHM Cc1noc(C)c1COc1ccc(CC(=O)NCc2c([O-])cccc2F)cc1 ZINC001156163999 1032908830 /nfs/dbraw/zinc/90/88/30/1032908830.db2.gz JCBDTHKCNVGITG-UHFFFAOYSA-N -1 3 384.407 3.574 20 10 GHCDHM COc1cccc(C(=O)c2ccc(C(=O)NCc3c([O-])cccc3F)cc2)c1 ZINC001156170295 1032911432 /nfs/dbraw/zinc/91/14/32/1032911432.db2.gz KIVFVTIBQDGBLK-UHFFFAOYSA-N -1 3 379.387 3.701 20 10 GHCDHM CCOC[C@@H]1CN(Cc2c([O-])cccc2Cl)Cc2c1cnn2CC1CC1 ZINC001140339527 1021447345 /nfs/dbraw/zinc/44/73/45/1021447345.db2.gz WDNYMSGGPLSLMW-HNNXBMFYSA-N -1 3 375.900 3.788 20 10 GHCDHM [O-]c1cc(Cl)ccc1CN1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001140464785 1021756610 /nfs/dbraw/zinc/75/66/10/1021756610.db2.gz BIOMYQCURBFUOF-YFVAEKQCSA-N -1 3 388.895 3.637 20 10 GHCDHM O=C1OC2(CCN(Cc3c([O-])cc(F)cc3F)CC2)c2ccc(Cl)cc21 ZINC001140584053 1022007413 /nfs/dbraw/zinc/00/74/13/1022007413.db2.gz DXPGFOPYGIQHRA-UHFFFAOYSA-N -1 3 379.790 3.986 20 10 GHCDHM CSCC[C@H](N[C@@H](C)c1cc(F)cc(F)c1[O-])c1nnc2ccccn21 ZINC000756364960 1023607907 /nfs/dbraw/zinc/60/79/07/1023607907.db2.gz MFGBZXYEGGXICO-NHYWBVRUSA-N -1 3 378.448 3.858 20 10 GHCDHM CCc1ncnc2c1CCN(Cc1cc(Cl)cc(Br)c1[O-])CC2 ZINC001141369765 1024747154 /nfs/dbraw/zinc/74/71/54/1024747154.db2.gz XZQDVSVOMZFDGC-UHFFFAOYSA-N -1 3 396.716 3.761 20 10 GHCDHM C[C@@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])CC[C@H]1O ZINC001203562277 1027434125 /nfs/dbraw/zinc/43/41/25/1027434125.db2.gz GRDBULBIDKIJAE-NOZJJQNGSA-N -1 3 393.119 3.510 20 10 GHCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001203575236 1027443414 /nfs/dbraw/zinc/44/34/14/1027443414.db2.gz HKGKENYQCZQODX-ZWKOTPCHSA-N -1 3 378.303 3.943 20 10 GHCDHM O=C1C[C@@]2(CCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)CN1c1ccccn1 ZINC001203577429 1027447360 /nfs/dbraw/zinc/44/73/60/1027447360.db2.gz CKSKREXUHMXSLP-LJQANCHMSA-N -1 3 392.286 3.723 20 10 GHCDHM [O-]c1ccc(Cl)cc1CN1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001203659658 1027516053 /nfs/dbraw/zinc/51/60/53/1027516053.db2.gz WZYONNOKLPBFMH-ACWOFJMJSA-N -1 3 394.924 3.698 20 10 GHCDHM [O-]c1cc(F)c(F)cc1CN1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001142512821 1029017675 /nfs/dbraw/zinc/01/76/75/1029017675.db2.gz MMKKPSMZZFQUKZ-JBBXEZCESA-N -1 3 378.444 3.966 20 10 GHCDHM [O-]c1c(O)cccc1-c1nc(-c2ccc([C@H]3CCc4cncn43)c(F)c2)no1 ZINC001215145792 1029059158 /nfs/dbraw/zinc/05/91/58/1029059158.db2.gz JLSXXOXTPFQYMO-MRXNPFEDSA-N -1 3 378.363 3.686 20 10 GHCDHM [O-]c1c(O)cc(-c2nc(-c3cc(F)cc(Br)c3F)no2)cc1O ZINC001215327481 1029154594 /nfs/dbraw/zinc/15/45/94/1029154594.db2.gz CUYCAENYEQTWNV-UHFFFAOYSA-N -1 3 385.120 3.561 20 10 GHCDHM CC(C)(C)N1CCC(Oc2ccc3c(c2)C(=O)c2ccc([O-])cc2C3=O)CC1 ZINC001229189753 1033329742 /nfs/dbraw/zinc/32/97/42/1033329742.db2.gz AUYDLJUVMKOJIG-UHFFFAOYSA-N -1 3 379.456 3.809 20 10 GHCDHM COC(=O)c1ccc(N2CCN(Cc3cc(Cl)c(C)cc3[O-])CC2)s1 ZINC001206152274 1033745011 /nfs/dbraw/zinc/74/50/11/1033745011.db2.gz XCDCDOQLUFVJAA-UHFFFAOYSA-N -1 3 380.897 3.524 20 10 GHCDHM COc1cc([O-])c(CN2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)cc1Cl ZINC001232267859 1037989778 /nfs/dbraw/zinc/98/97/78/1037989778.db2.gz JQUCTMYVOPQWOX-OLZOCXBDSA-N -1 3 384.904 3.884 20 10 GHCDHM COc1c([O-])c(CN2CCCN(C)c3ccc(Cl)cc32)ccc1[N+](=O)[O-] ZINC001462302827 1070155568 /nfs/dbraw/zinc/15/55/68/1070155568.db2.gz GDJQUCJISJNGDL-UHFFFAOYSA-N -1 3 377.828 3.809 20 10 GHCDHM [O-]c1c(CN2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)ccc(F)c1F ZINC001233073585 1038835722 /nfs/dbraw/zinc/83/57/22/1038835722.db2.gz ABHSEKIANPFVFQ-IBGZPJMESA-N -1 3 395.400 3.803 20 10 GHCDHM CCOC(=O)CCC1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001235063993 1040552656 /nfs/dbraw/zinc/55/26/56/1040552656.db2.gz CONFSYQLLSCJAB-UHFFFAOYSA-N -1 3 388.277 3.849 20 10 GHCDHM CC(C)N1CCC2(CCN(Cc3cc(Br)cc(F)c3[O-])CC2)C1=O ZINC001235075519 1040564284 /nfs/dbraw/zinc/56/42/84/1040564284.db2.gz MKTQCXULGVTOFO-UHFFFAOYSA-N -1 3 399.304 3.517 20 10 GHCDHM CN1CCN(Cc2cc(F)cc(Br)c2[O-])C[C@@H]1c1ccccc1 ZINC001235302658 1040776586 /nfs/dbraw/zinc/77/65/86/1040776586.db2.gz SFHJPMJBHFGRCX-QGZVFWFLSA-N -1 3 379.273 3.783 20 10 GHCDHM O=C(NC1CCC1)[C@H]1CC12CCN(Cc1cc(Cl)c(Cl)cc1[O-])CC2 ZINC001236794160 1041897986 /nfs/dbraw/zinc/89/79/86/1041897986.db2.gz SQJUQDDDTBPRJF-CQSZACIVSA-N -1 3 383.319 3.970 20 10 GHCDHM O=C1OC2(CCN(Cc3cc(Cl)c(Cl)cc3[O-])CC2)c2cccnc21 ZINC001236795310 1041899443 /nfs/dbraw/zinc/89/94/43/1041899443.db2.gz BWCKYIIDNCATLZ-UHFFFAOYSA-N -1 3 379.243 3.756 20 10 GHCDHM COc1ccc(CN2CCCC[C@H](NC(=O)OC(C)(C)C)C2)c([O-])c1Cl ZINC001236803513 1041905969 /nfs/dbraw/zinc/90/59/69/1041905969.db2.gz VADPOIFBMYCCIJ-AWEZNQCLSA-N -1 3 384.904 3.933 20 10 GHCDHM O=C(c1ccsc1)N1C[C@@H]2CN(Cc3c([O-])ccc(Cl)c3Cl)C[C@H]2C1 ZINC001237081829 1042027848 /nfs/dbraw/zinc/02/78/48/1042027848.db2.gz UTNDIQNRTJFURO-STQMWFEESA-N -1 3 397.327 3.965 20 10 GHCDHM O=C(c1ccsc1)N1C[C@H]2CN(Cc3c([O-])ccc(Cl)c3Cl)C[C@H]2C1 ZINC001237081818 1042028013 /nfs/dbraw/zinc/02/80/13/1042028013.db2.gz UTNDIQNRTJFURO-BETUJISGSA-N -1 3 397.327 3.965 20 10 GHCDHM CN(C(=O)c1ccccc1)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237624696 1042291036 /nfs/dbraw/zinc/29/10/36/1042291036.db2.gz ZAPHQOQTBAORRK-UHFFFAOYSA-N -1 3 376.859 3.921 20 10 GHCDHM C[C@@]1(O)CCCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])CC1 ZINC001237784144 1042367002 /nfs/dbraw/zinc/36/70/02/1042367002.db2.gz QSSDRFJURNYNJR-CQSZACIVSA-N -1 3 382.220 3.910 20 10 GHCDHM Cc1ccc(F)cc1S(=O)(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001258928734 1044886554 /nfs/dbraw/zinc/88/65/54/1044886554.db2.gz GQNBSGSJFCTFFT-UHFFFAOYSA-N -1 3 380.828 3.520 20 10 GHCDHM Cc1cc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c(C)n1-c1cc(C)cc(C)c1 ZINC001296789923 1045375422 /nfs/dbraw/zinc/37/54/22/1045375422.db2.gz SHHYJTKZWDTTSN-UHFFFAOYSA-N -1 3 391.397 3.778 20 10 GHCDHM C[C@@H]1CCN(c2nnc(-c3sc4ncccc4c3[O-])n2C[C@@H]2CCOC2)[C@@H]1C ZINC001263532199 1046926639 /nfs/dbraw/zinc/92/66/39/1046926639.db2.gz JVRXMMZVHXYTOE-MCIONIFRSA-N -1 3 399.520 3.532 20 10 GHCDHM COc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)cc2C)cc1Br ZINC000388728080 1047388128 /nfs/dbraw/zinc/38/81/28/1047388128.db2.gz OKMFHDOBGJEKMH-UHFFFAOYSA-N -1 3 386.267 3.581 20 10 GHCDHM [O-]c1cccc(Br)c1CN1CC2(CCN2CCCC(F)(F)F)C1 ZINC001279219504 1047743727 /nfs/dbraw/zinc/74/37/27/1047743727.db2.gz DSTSFUFFBUNJSQ-UHFFFAOYSA-N -1 3 393.247 3.757 20 10 GHCDHM COc1ccc(CN2CC3(C2)CCN(Cc2scnc2C)C3)c([O-])c1Cl ZINC001279664703 1047904946 /nfs/dbraw/zinc/90/49/46/1047904946.db2.gz BDDHRWPAVQLPDU-UHFFFAOYSA-N -1 3 393.940 3.527 20 10 GHCDHM COc1c([O-])c(CNCc2cccc(Oc3ccc(F)cc3)n2)ccc1[N+](=O)[O-] ZINC001308850442 1050122901 /nfs/dbraw/zinc/12/29/01/1050122901.db2.gz GFYCKTFETGUERI-UHFFFAOYSA-N -1 3 399.378 3.925 20 10 GHCDHM O=S(=O)([N-]Cc1c(O)cccc1F)c1cc(Cl)ccc1C(F)(F)F ZINC001309879302 1051019729 /nfs/dbraw/zinc/01/97/29/1051019729.db2.gz OMTFAKJSQBEMDV-UHFFFAOYSA-N -1 3 383.750 3.682 20 10 GHCDHM COc1cc(F)c(Br)cc1NC(=O)NCc1c([O-])cccc1F ZINC001310901509 1051690317 /nfs/dbraw/zinc/69/03/17/1051690317.db2.gz ZMEQECILVYJZKA-UHFFFAOYSA-N -1 3 387.180 3.763 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@]2(CC2(F)F)C1 ZINC001340356780 1059886380 /nfs/dbraw/zinc/88/63/80/1059886380.db2.gz HBRGPSBFWYUNNI-INIZCTEOSA-N -1 3 377.420 3.516 20 10 GHCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])nn1-c1cccc(C(F)(F)F)c1 ZINC001452773892 1061009618 /nfs/dbraw/zinc/00/96/18/1061009618.db2.gz FDQXSJUGJQOROF-UHFFFAOYSA-N -1 3 377.322 3.863 20 10 GHCDHM COCC1CCN(c2nnc(-c3sc4ncccc4c3[O-])n2CC2CC2)CC1 ZINC001347063417 1062083661 /nfs/dbraw/zinc/08/36/61/1062083661.db2.gz XZRPRLMUCAYLKG-UHFFFAOYSA-N -1 3 399.520 3.533 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC001468918768 1067927523 /nfs/dbraw/zinc/92/75/23/1067927523.db2.gz GXLSWQLOKSEFQE-CYBMUJFWSA-N -1 3 377.847 3.653 20 10 GHCDHM CC(C)(C)OC(=O)N[C@H]1CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000768351237 1068268352 /nfs/dbraw/zinc/26/83/52/1068268352.db2.gz IZJOUAQWIBIJRK-AWEZNQCLSA-N -1 3 385.302 3.644 20 10 GHCDHM Cn1c2ccccc2c2cc(S(=O)(=O)NCc3c([O-])cccc3F)ccc21 ZINC001475707256 1075003884 /nfs/dbraw/zinc/00/38/84/1075003884.db2.gz OPRDHBLOYWMIBQ-UHFFFAOYSA-N -1 3 384.432 3.655 20 10 GHCDHM CC[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)C1 ZINC000736402531 598610052 /nfs/dbraw/zinc/61/00/52/598610052.db2.gz NGZDJLZAXUNKKT-MRXNPFEDSA-N -1 3 378.480 3.536 20 10 GHCDHM COc1ccc(N2CCC(Nc3c(Cl)cccc3-c3nnn[n-]3)CC2)cc1 ZINC000821831756 599518802 /nfs/dbraw/zinc/51/88/02/599518802.db2.gz LQOQMVNVHJPNNG-UHFFFAOYSA-N -1 3 384.871 3.610 20 10 GHCDHM COc1ccc(N2CCC(Nc3c(Cl)cccc3-c3nn[n-]n3)CC2)cc1 ZINC000821831756 599518803 /nfs/dbraw/zinc/51/88/03/599518803.db2.gz LQOQMVNVHJPNNG-UHFFFAOYSA-N -1 3 384.871 3.610 20 10 GHCDHM Cc1ccc(N2C(=O)C(=Cc3cc(-c4nnn[n-]4)cs3)SC2=S)c(C)c1 ZINC000822241250 606336361 /nfs/dbraw/zinc/33/63/61/606336361.db2.gz PHFOHPNTAYKUAR-AUWJEWJLSA-N -1 3 399.526 3.951 20 10 GHCDHM Cc1ccc(N2C(=O)C(=Cc3cc(-c4nn[n-]n4)cs3)SC2=S)c(C)c1 ZINC000822241250 606336363 /nfs/dbraw/zinc/33/63/63/606336363.db2.gz PHFOHPNTAYKUAR-AUWJEWJLSA-N -1 3 399.526 3.951 20 10 GHCDHM Cc1cccc(N2C(=O)C(=Cc3cc(-c4nnn[n-]4)cs3)SC2=S)c1 ZINC000822309402 606336486 /nfs/dbraw/zinc/33/64/86/606336486.db2.gz XFSDWOPKLPXDDS-QPEQYQDCSA-N -1 3 385.499 3.642 20 10 GHCDHM Cc1cccc(N2C(=O)C(=Cc3cc(-c4nn[n-]n4)cs3)SC2=S)c1 ZINC000822309402 606336487 /nfs/dbraw/zinc/33/64/87/606336487.db2.gz XFSDWOPKLPXDDS-QPEQYQDCSA-N -1 3 385.499 3.642 20 10 GHCDHM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)s3)SC2=S)cc1 ZINC000822241367 606389513 /nfs/dbraw/zinc/38/95/13/606389513.db2.gz SZVVLRFZCMXZBO-JYRVWZFOSA-N -1 3 385.499 3.642 20 10 GHCDHM O=C(CC1CCN(Cc2cc(Br)cc(F)c2[O-])CC1)N1CCCC1 ZINC000893966038 844293019 /nfs/dbraw/zinc/29/30/19/844293019.db2.gz FBTZYBRHBDALCO-UHFFFAOYSA-N -1 3 399.304 3.518 20 10 GHCDHM CO[C@@H](C)c1nc(CN2CCCN(Cc3cccc(Cl)c3[O-])CC2)cs1 ZINC000271754643 846911060 /nfs/dbraw/zinc/91/10/60/846911060.db2.gz CKUXRKPWVBBUHI-AWEZNQCLSA-N -1 3 395.956 3.917 20 10 GHCDHM [O-]c1c(Br)cc(Br)cc1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000843421355 858805635 /nfs/dbraw/zinc/80/56/35/858805635.db2.gz XTCJNBUSLCRRJL-RNCFNFMXSA-N -1 3 391.103 3.528 20 10 GHCDHM O=C(Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)c1cccc(O)c1[O-] ZINC000792837334 881724085 /nfs/dbraw/zinc/72/40/85/881724085.db2.gz USBDDKKKOYRSGM-UHFFFAOYSA-N -1 3 386.411 3.657 20 10 GHCDHM CCN(CC(=O)Nc1c(F)cccc1F)Cc1cc(Br)ccc1[O-] ZINC000173992937 865277600 /nfs/dbraw/zinc/27/76/00/865277600.db2.gz CTUPMLYEXYXTQB-UHFFFAOYSA-N -1 3 399.235 3.894 20 10 GHCDHM COc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)cc(Br)c1[O-] ZINC000211101879 868904782 /nfs/dbraw/zinc/90/47/82/868904782.db2.gz SKEHAVMNMLJVGT-UKTHLTGXSA-N -1 3 397.294 3.620 20 10 GHCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C(F)(F)c1ccccc1 ZINC000857472249 882285216 /nfs/dbraw/zinc/28/52/16/882285216.db2.gz JBUMKVGQYQDICN-KRWDZBQOSA-N -1 3 394.849 3.918 20 10 GHCDHM CN(Cc1cccn1C)Cc1cc(Br)cc(Br)c1[O-] ZINC000775713403 873061553 /nfs/dbraw/zinc/06/15/53/873061553.db2.gz MLQUKGVTDAMCCI-UHFFFAOYSA-N -1 3 388.103 3.888 20 10 GHCDHM CC(C)(C)OC(=O)N1CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000768246200 873185933 /nfs/dbraw/zinc/18/59/33/873185933.db2.gz JCONZSAGELQHTL-UHFFFAOYSA-N -1 3 385.302 3.598 20 10 GHCDHM COC(=O)CN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000769382250 874010785 /nfs/dbraw/zinc/01/07/85/874010785.db2.gz WMANFEYODVSOTQ-GQCTYLIASA-N -1 3 390.823 3.642 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)c([O-])c1O ZINC000770488689 874730327 /nfs/dbraw/zinc/73/03/27/874730327.db2.gz OILKHYDTJZGGKJ-UHFFFAOYSA-N -1 3 388.851 3.938 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2ccc(NC(=O)CN(C)C)cc2)c1 ZINC001201264497 875599781 /nfs/dbraw/zinc/59/97/81/875599781.db2.gz BOGFQLDWBBTSJO-UHFFFAOYSA-N -1 3 392.297 3.575 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2ccc(CCS(C)(=O)=O)cc2)c1 ZINC001201541747 875737224 /nfs/dbraw/zinc/73/72/24/875737224.db2.gz IPFLYDAGMDISIU-UHFFFAOYSA-N -1 3 398.322 3.662 20 10 GHCDHM Cn1cc([C@H](NCc2cc(Br)cc(F)c2[O-])c2ccccc2)cn1 ZINC001201971966 875959743 /nfs/dbraw/zinc/95/97/43/875959743.db2.gz PLPMSOVLGZLCKM-QGZVFWFLSA-N -1 3 390.256 3.907 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1CCc2ccccc2[C@H]1O ZINC001183393484 912473661 /nfs/dbraw/zinc/47/36/61/912473661.db2.gz MRYONLMALXOREQ-OXQOHEQNSA-N -1 3 382.847 3.506 20 10 GHCDHM O=C(Nc1cccc(COCCOc2ccccc2)c1)c1cccc(O)c1[O-] ZINC000790547051 879803585 /nfs/dbraw/zinc/80/35/85/879803585.db2.gz UHPUPYWHMWGOEO-UHFFFAOYSA-N -1 3 379.412 3.946 20 10 GHCDHM [O-]c1c(Br)cc(Cl)cc1CN[C@H]1c2ccccc2OC[C@H]1CO ZINC000897948390 884525589 /nfs/dbraw/zinc/52/55/89/884525589.db2.gz MYHMRWXOIUKFJM-BDJLRTHQSA-N -1 3 398.684 3.640 20 10 GHCDHM CC(=O)C(C)(C)CCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000761980379 885083989 /nfs/dbraw/zinc/08/39/89/885083989.db2.gz BNZLZSIWSXINGS-QGZVFWFLSA-N -1 3 380.916 3.522 20 10 GHCDHM COc1ccc(O)c([C@H](C)NCc2cc(=O)oc3cc([O-])c(Cl)cc23)c1 ZINC000794561682 887387848 /nfs/dbraw/zinc/38/78/48/887387848.db2.gz IOQDHXCQFJLUHT-JTQLQIEISA-N -1 3 375.808 3.717 20 10 GHCDHM CC(C)(C)OC(=O)c1cnc(NCc2cc(Cl)c3cccnc3c2[O-])cn1 ZINC001168521505 890240053 /nfs/dbraw/zinc/24/00/53/890240053.db2.gz FAXKROMSYSIDGO-UHFFFAOYSA-N -1 3 386.839 3.951 20 10 GHCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@H]1CCCCCC(=O)C1 ZINC000813488860 891689238 /nfs/dbraw/zinc/68/92/38/891689238.db2.gz HQDOYJQHVWNOPB-YJBOKZPZSA-N -1 3 392.927 3.666 20 10 GHCDHM COCCNC(=O)c1cccc(N[C@H](C)c2cccc(C(F)(F)F)c2[O-])c1 ZINC000815624548 894056265 /nfs/dbraw/zinc/05/62/65/894056265.db2.gz BNTZPOHQHFCOHO-GFCCVEGCSA-N -1 3 382.382 3.960 20 10 GHCDHM Cc1nsc(C)c1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000815835603 894245430 /nfs/dbraw/zinc/24/54/30/894245430.db2.gz YZCBINMFHMVWDE-OAHLLOKOSA-N -1 3 379.913 3.513 20 10 GHCDHM Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)c1cccc(O)c1[O-] ZINC000818343093 896121139 /nfs/dbraw/zinc/12/11/39/896121139.db2.gz MFBBFAQHDQBBFK-UHFFFAOYSA-N -1 3 388.221 3.513 20 10 GHCDHM COC(=O)c1cnc([C@H](C)N[C@H](C)c2ccc(Br)cc2[O-])s1 ZINC000818357706 896143856 /nfs/dbraw/zinc/14/38/56/896143856.db2.gz IITKZBSOCBYECV-BDAKNGLRSA-N -1 3 385.283 3.810 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC(Cc3nc([C@H]4C[C@@H]4C)no3)CC2)c1[O-] ZINC000844410078 900840087 /nfs/dbraw/zinc/84/00/87/900840087.db2.gz NBQFIWVAQJHRNO-SJCJKPOMSA-N -1 3 387.455 3.695 20 10 GHCDHM O=C1c2ccccc2[C@@H]2CN(Cc3cc(Br)c(F)cc3[O-])C[C@H]12 ZINC001144292848 901622755 /nfs/dbraw/zinc/62/27/55/901622755.db2.gz ITUYLGJSVVIIIS-KBPBESRZSA-N -1 3 376.225 3.706 20 10 GHCDHM Nc1ccc(NC(=O)Nc2ccc(NC(=O)Cc3ccc([O-])c(F)c3)cc2)cc1 ZINC001144631042 902536470 /nfs/dbraw/zinc/53/64/70/902536470.db2.gz CVXGJSPPMJZBJF-UHFFFAOYSA-N -1 3 394.406 3.939 20 10 GHCDHM C[C@H](c1ccc(Cl)cc1)N(Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)C1CC1 ZINC000846240356 902816121 /nfs/dbraw/zinc/81/61/21/902816121.db2.gz LVOMPPFLWCKLCZ-LLVKDONJSA-N -1 3 386.839 3.512 20 10 GHCDHM CC(=O)c1cc(CN(Cc2ccccc2)C2CC2)c([O-])c(CN2CCOCC2)c1 ZINC000887562137 902890888 /nfs/dbraw/zinc/89/08/88/902890888.db2.gz BYGTXXAWSLYHTG-UHFFFAOYSA-N -1 3 394.515 3.592 20 10 GHCDHM O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001187615879 915385329 /nfs/dbraw/zinc/38/53/29/915385329.db2.gz QKRAVSBVFIVRCK-UHFFFAOYSA-N -1 3 390.399 3.811 20 10 GHCDHM COC(=O)CN(CCCOCc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC001191683484 918151090 /nfs/dbraw/zinc/15/10/90/918151090.db2.gz WUNIREOUNYDDIF-UHFFFAOYSA-N -1 3 377.868 3.628 20 10 GHCDHM CC(=O)c1cc(F)cc(CN(C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)c1[O-] ZINC000750823875 927876322 /nfs/dbraw/zinc/87/63/22/927876322.db2.gz XKJOXJMASQAFSU-HXUWFJFHSA-N -1 3 385.414 3.828 20 10 GHCDHM CC(=O)c1cc(F)cc(CN(CC(=O)Nc2ccc(F)cc2)C(C)C)c1[O-] ZINC000750825833 927878619 /nfs/dbraw/zinc/87/86/19/927878619.db2.gz LPUOXUSTLVMWQU-UHFFFAOYSA-N -1 3 376.403 3.722 20 10 GHCDHM Cc1noc(C2CC2)c1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000752596016 928913516 /nfs/dbraw/zinc/91/35/16/928913516.db2.gz LLCJWMMIEZNJJO-INIZCTEOSA-N -1 3 389.883 3.614 20 10 GHCDHM Cc1cc(C(=O)N2CCc3c(nc[n-]c3=O)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000752783487 929020242 /nfs/dbraw/zinc/02/02/42/929020242.db2.gz HWXACPHOJPYOOC-UHFFFAOYSA-N -1 3 390.487 3.912 20 10 GHCDHM C[C@@H](N[C@@H](CCO)c1ccccc1Br)c1cc([N+](=O)[O-])ccc1[O-] ZINC000757636136 929753713 /nfs/dbraw/zinc/75/37/13/929753713.db2.gz CFWYHYAKULKJHL-BZNIZROVSA-N -1 3 395.253 3.837 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)c([O-])c1O ZINC000780904445 930633951 /nfs/dbraw/zinc/63/39/51/930633951.db2.gz DMQUPZNXLHVCFG-UHFFFAOYSA-N -1 3 384.819 3.522 20 10 GHCDHM COc1ccc2c(c1)C(=O)N(C)[C@@H](c1cc(C)cc(Br)c1[O-])N2 ZINC000781558509 930886048 /nfs/dbraw/zinc/88/60/48/930886048.db2.gz WHBQTRATTLGRPT-INIZCTEOSA-N -1 3 377.238 3.668 20 10 GHCDHM COc1ccc2c(c1)C(=O)N(C)[C@H](c1cc(C)cc(Br)c1[O-])N2 ZINC000781558510 930886081 /nfs/dbraw/zinc/88/60/81/930886081.db2.gz WHBQTRATTLGRPT-MRXNPFEDSA-N -1 3 377.238 3.668 20 10 GHCDHM Cc1cc(Cn2c(-c3sc4ncccc4c3[O-])nnc2N2CCC[C@H]2C)no1 ZINC001123843488 935304983 /nfs/dbraw/zinc/30/49/83/935304983.db2.gz IYAAQSBPELLPEL-LLVKDONJSA-N -1 3 396.476 3.594 20 10 GHCDHM C[C@@H]([NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593234393 994401167 /nfs/dbraw/zinc/40/11/67/994401167.db2.gz ZJJHUJRWCRUUJU-OCCSQVGLSA-N -1 3 392.402 3.621 20 10 GHCDHM C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246750 994457693 /nfs/dbraw/zinc/45/76/93/994457693.db2.gz OKZZMFDNENJMGP-OCCSQVGLSA-N -1 3 397.393 3.611 20 10 GHCDHM CCN1CCC(Oc2c(O)c([O-])cc3oc(-c4ccccc4)cc(=O)c32)CC1 ZINC001227507660 1032446207 /nfs/dbraw/zinc/44/62/07/1032446207.db2.gz YDSOHDYVRIFWJV-UHFFFAOYSA-N -1 3 381.428 3.734 20 10 GHCDHM COc1ccc(Br)c2[nH]c(C(=O)NCc3c([O-])cccc3F)cc21 ZINC001156170903 1032911995 /nfs/dbraw/zinc/91/19/95/1032911995.db2.gz VVNWSXUIGUXESI-UHFFFAOYSA-N -1 3 393.212 3.714 20 10 GHCDHM COC(=O)CN(Cc1csc(C(F)(F)F)n1)Cc1cc(Cl)ccc1[O-] ZINC001204866272 1033130339 /nfs/dbraw/zinc/13/03/39/1033130339.db2.gz LOACLNIXRZYZMR-UHFFFAOYSA-N -1 3 394.802 3.696 20 10 GHCDHM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000755984500 1023466363 /nfs/dbraw/zinc/46/63/63/1023466363.db2.gz KTORGKFTQSQMAI-UHFFFAOYSA-N -1 3 377.462 3.786 20 10 GHCDHM Cc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(OC[C@H]2CCOC2)c1 ZINC000756648748 1023754179 /nfs/dbraw/zinc/75/41/79/1023754179.db2.gz ZJJQEAMSRVFSKN-HOTGVXAUSA-N -1 3 386.448 3.875 20 10 GHCDHM [O-]c1c(F)cccc1CN1CCO[C@]2(CCC[C@H]2COCc2cccnc2)C1 ZINC001138125455 1024168773 /nfs/dbraw/zinc/16/87/73/1024168773.db2.gz PWOFFOVTWJFCKE-SIKLNZKXSA-N -1 3 386.467 3.514 20 10 GHCDHM [O-]c1c(F)cccc1CN1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001138125314 1024169721 /nfs/dbraw/zinc/16/97/21/1024169721.db2.gz NWBALMFZBOMNDW-SIKLNZKXSA-N -1 3 386.467 3.514 20 10 GHCDHM C[C@@H](NCc1cccc([O-])c1Br)c1ccc(N2CCOCC2)cc1 ZINC000838916911 1025443587 /nfs/dbraw/zinc/44/35/87/1025443587.db2.gz WVFMVHAQUHPXID-CQSZACIVSA-N -1 3 391.309 3.842 20 10 GHCDHM [O-]c1cccc(Br)c1CN1CCN(Cc2ccc(F)cc2)CC1 ZINC001140098878 1026875926 /nfs/dbraw/zinc/87/59/26/1026875926.db2.gz QGAWZNFHTRPHBT-UHFFFAOYSA-N -1 3 379.273 3.612 20 10 GHCDHM O=S1(=O)CCN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CCC12CCC2 ZINC000840181765 1027318942 /nfs/dbraw/zinc/31/89/42/1027318942.db2.gz VTVULGXQBDCCOU-UHFFFAOYSA-N -1 3 389.517 3.560 20 10 GHCDHM CCOCc1nn(CC2CC2)c2c1CN(Cc1cc(Cl)ccc1[O-])CC2 ZINC001203656089 1027510701 /nfs/dbraw/zinc/51/07/01/1027510701.db2.gz HGQAGGYXAGLJKP-UHFFFAOYSA-N -1 3 375.900 3.747 20 10 GHCDHM [O-]c1ccc(Cl)cc1CN1CCCn2cnc(COc3cccnc3)c2C1 ZINC001203658289 1027513645 /nfs/dbraw/zinc/51/36/45/1027513645.db2.gz IYRLMTDVLJQDHY-UHFFFAOYSA-N -1 3 384.867 3.622 20 10 GHCDHM CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1Cc1cc(Cl)ccc1[O-] ZINC001203665252 1027519012 /nfs/dbraw/zinc/51/90/12/1027519012.db2.gz DXMHNDJTSMCTKQ-ZDUSSCGKSA-N -1 3 376.831 3.780 20 10 GHCDHM CCS(=O)(=O)c1cc(Cl)cc(CN[C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000840842452 1027876223 /nfs/dbraw/zinc/87/62/23/1027876223.db2.gz UEROARRMDUQPNQ-SNVBAGLBSA-N -1 3 389.851 3.968 20 10 GHCDHM Cc1cc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)c(Br)cc1F ZINC001215325392 1029153860 /nfs/dbraw/zinc/15/38/60/1029153860.db2.gz QHCQTRPVQUOWCN-UHFFFAOYSA-N -1 3 381.157 3.730 20 10 GHCDHM [O-]c1c(O)cc(-c2nc(-c3ccc(Cl)c(Br)c3)no2)cc1O ZINC001215327830 1029156180 /nfs/dbraw/zinc/15/61/80/1029156180.db2.gz WCCOYKNYHRPYIL-UHFFFAOYSA-N -1 3 383.585 3.936 20 10 GHCDHM CC(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(Br)c(F)cc1[O-] ZINC001276518364 1034222376 /nfs/dbraw/zinc/22/23/76/1034222376.db2.gz OTKDGGJLYDPRCN-HZPDHXFCSA-N -1 3 399.304 3.515 20 10 GHCDHM [O-]c1cccc(F)c1CNCc1c(Br)cncc1Br ZINC001207623950 1034494740 /nfs/dbraw/zinc/49/47/40/1034494740.db2.gz ZCKMPJAJSJMNCE-UHFFFAOYSA-N -1 3 390.050 3.741 20 10 GHCDHM O=C([O-])c1ccc(C[N@H+]2C[C@H]3c4ccccc4[C@@H](OCC4CC4)[C@H]3C2)c([O-])c1 ZINC001231450266 1034594712 /nfs/dbraw/zinc/59/47/12/1034594712.db2.gz CNWKPYQQAUTJFM-JAXLGGSGSA-N -1 3 379.456 3.787 20 10 GHCDHM O=C([O-])c1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@@H](OCC4CC4)[C@H]3C2)c([O-])c1 ZINC001231450266 1034594723 /nfs/dbraw/zinc/59/47/23/1034594723.db2.gz CNWKPYQQAUTJFM-JAXLGGSGSA-N -1 3 379.456 3.787 20 10 GHCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H](OCc3ccc(Cl)cc3)C2)c([O-])c1 ZINC001231452293 1034596112 /nfs/dbraw/zinc/59/61/12/1034596112.db2.gz KKQYFKLKTBZGSN-GOSISDBHSA-N -1 3 375.852 3.925 20 10 GHCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](OCc3ccc(Cl)cc3)C2)c([O-])c1 ZINC001231452293 1034596118 /nfs/dbraw/zinc/59/61/18/1034596118.db2.gz KKQYFKLKTBZGSN-GOSISDBHSA-N -1 3 375.852 3.925 20 10 GHCDHM Cc1cc([O-])c(CN2CCO[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)cc1Cl ZINC001231868896 1034955121 /nfs/dbraw/zinc/95/51/21/1034955121.db2.gz ZMEAIUSTNUONGT-FUHWJXTLSA-N -1 3 396.915 3.564 20 10 GHCDHM [O-]c1c(Cl)cccc1CN1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC001462018067 1069948552 /nfs/dbraw/zinc/94/85/52/1069948552.db2.gz CWEQHTCOSQEUJF-UHFFFAOYSA-N -1 3 381.303 3.896 20 10 GHCDHM COc1ccc(CN2CC(c3ccccc3)C2)c([O-])c1I ZINC001248494359 1035914415 /nfs/dbraw/zinc/91/44/15/1035914415.db2.gz SRWCPCGTJJKUOV-UHFFFAOYSA-N -1 3 395.240 3.605 20 10 GHCDHM [O-]c1cc(O)c(CN2CCN(c3ncc(Cl)cc3Cl)CC2)cc1Cl ZINC001232262732 1037984486 /nfs/dbraw/zinc/98/44/86/1037984486.db2.gz OACAFZLHKXWBCX-UHFFFAOYSA-N -1 3 388.682 3.775 20 10 GHCDHM CS(=O)(=O)c1cccc([C@H]2CCCN(Cc3cc(Cl)c([O-])cc3O)C2)c1 ZINC001232263224 1037984590 /nfs/dbraw/zinc/98/45/90/1037984590.db2.gz KUAINCRGAYJFLV-AWEZNQCLSA-N -1 3 395.908 3.534 20 10 GHCDHM [O-]c1cc(I)ccc1CN1CCOC[C@@H]1c1ccccc1 ZINC001232974208 1038746642 /nfs/dbraw/zinc/74/66/42/1038746642.db2.gz IFSVHDCBPSWBJU-MRXNPFEDSA-N -1 3 395.240 3.570 20 10 GHCDHM CN1CCN(Cc2c([O-])cc(Br)cc2F)C[C@@H]1c1ccccc1 ZINC001233030977 1038786418 /nfs/dbraw/zinc/78/64/18/1038786418.db2.gz UUQYHUYJKAPFMF-QGZVFWFLSA-N -1 3 379.273 3.783 20 10 GHCDHM CC(C)(C)OC(=O)N1CCC[C@]2(CCN(Cc3c([O-])ccc(F)c3F)C2)C1 ZINC001233332267 1039129496 /nfs/dbraw/zinc/12/94/96/1039129496.db2.gz FLMVUERJZKAPJB-HXUWFJFHSA-N -1 3 382.451 3.893 20 10 GHCDHM CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(Cc3c([O-])ccc(F)c3F)C2)C1 ZINC001233332266 1039131433 /nfs/dbraw/zinc/13/14/33/1039131433.db2.gz FLMVUERJZKAPJB-FQEVSTJZSA-N -1 3 382.451 3.893 20 10 GHCDHM CN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233333664 1039134460 /nfs/dbraw/zinc/13/44/60/1039134460.db2.gz DHIBRPIXXLAFFW-INIZCTEOSA-N -1 3 386.442 3.651 20 10 GHCDHM [O-]c1c(CN2Cc3cncn3C[C@@H](COCC3CC3)C2)cccc1C(F)(F)F ZINC001233417168 1039275002 /nfs/dbraw/zinc/27/50/02/1039275002.db2.gz KTARZJXLKBUYPS-HNNXBMFYSA-N -1 3 395.425 3.666 20 10 GHCDHM COc1ccc(CN2CCC[C@]23CCN(C2CCCC2)C3=O)c([O-])c1Cl ZINC001277835326 1039890764 /nfs/dbraw/zinc/89/07/64/1039890764.db2.gz XFTWRLBCDNORJU-HXUWFJFHSA-N -1 3 378.900 3.564 20 10 GHCDHM COc1ccc(CN2CCC[C@@]23CCN(CC=C(C)C)C3=O)c([O-])c1Cl ZINC001277835819 1039900492 /nfs/dbraw/zinc/90/04/92/1039900492.db2.gz ZQUIBDCTGLIBPO-FQEVSTJZSA-N -1 3 378.900 3.587 20 10 GHCDHM C[C@H](COc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12)Oc1ccccc1 ZINC001234754570 1040282390 /nfs/dbraw/zinc/28/23/90/1040282390.db2.gz XJYZIYBMMAICNV-GFCCVEGCSA-N -1 3 394.379 3.909 20 10 GHCDHM Cc1cccnc1N1CCCN(Cc2cc(F)cc(Br)c2[O-])CC1 ZINC001235301400 1040776694 /nfs/dbraw/zinc/77/66/94/1040776694.db2.gz HDFBBHFXZSKQFW-UHFFFAOYSA-N -1 3 394.288 3.710 20 10 GHCDHM CC(C)(C)OC(=O)C[C@@H]1CCCN1Cc1cc(F)cc(Br)c1[O-] ZINC001235304754 1040778720 /nfs/dbraw/zinc/77/87/20/1040778720.db2.gz AJLPVESHEMRODJ-ZDUSSCGKSA-N -1 3 388.277 3.990 20 10 GHCDHM COc1cccnc1O[C@@H]1CCN(Cc2cc(C)cc(Br)c2[O-])C1 ZINC001236671483 1041819664 /nfs/dbraw/zinc/81/96/64/1041819664.db2.gz VPHZXMUBDFRGTA-CQSZACIVSA-N -1 3 393.281 3.520 20 10 GHCDHM O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236794205 1041898288 /nfs/dbraw/zinc/89/82/88/1041898288.db2.gz UFCGWICMJFVVBH-CABCVRRESA-N -1 3 398.315 3.645 20 10 GHCDHM COc1cc([O-])c(CN2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)c(Cl)c1 ZINC001236797012 1041901660 /nfs/dbraw/zinc/90/16/60/1041901660.db2.gz ATTMVVCAYLCMBX-ZDUSSCGKSA-N -1 3 384.904 3.886 20 10 GHCDHM COc1ccc(CN2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)c([O-])c1Cl ZINC001236812176 1041912225 /nfs/dbraw/zinc/91/22/25/1041912225.db2.gz SOBVZAHQVADKEI-SNVBAGLBSA-N -1 3 391.777 3.836 20 10 GHCDHM Cc1cnc(N2CCN(Cc3cc(Br)c(C)cc3[O-])CC2)s1 ZINC001237677745 1042318193 /nfs/dbraw/zinc/31/81/93/1042318193.db2.gz CVAMRPOJRLDHOX-UHFFFAOYSA-N -1 3 382.327 3.550 20 10 GHCDHM C[C@@H]1CN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])CCC[C@@H]1O ZINC001237783199 1042366559 /nfs/dbraw/zinc/36/65/59/1042366559.db2.gz FVEXGRDSOFGZCG-RNCFNFMXSA-N -1 3 382.220 3.766 20 10 GHCDHM O=C1C[C@]2(CCN(Cc3cc(F)cc(Cl)c3[O-])C2)CN1c1ccsc1 ZINC001237798815 1042375842 /nfs/dbraw/zinc/37/58/42/1042375842.db2.gz BMCMTGMDIRPXPF-SFHVURJKSA-N -1 3 380.872 3.875 20 10 GHCDHM O=C1NC2(C[C@H]1c1ccccc1)CCN(Cc1cc(F)c(Cl)cc1[O-])CC2 ZINC001237938163 1042428727 /nfs/dbraw/zinc/42/87/27/1042428727.db2.gz VBZYPZLZPXIWBD-INIZCTEOSA-N -1 3 388.870 3.823 20 10 GHCDHM [O-]c1cc(Cl)c(F)cc1CN1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC001237943937 1042432687 /nfs/dbraw/zinc/43/26/87/1042432687.db2.gz QXBYGMZJXCJTBC-UHFFFAOYSA-N -1 3 398.869 3.964 20 10 GHCDHM Cc1cc(F)ccc1S(=O)(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001259492417 1045201742 /nfs/dbraw/zinc/20/17/42/1045201742.db2.gz HBILWPOGSFNFMS-UHFFFAOYSA-N -1 3 380.828 3.520 20 10 GHCDHM O=S(=O)([N-]c1ccc(O)cc1Br)c1ccc(Cl)cc1F ZINC001259512225 1045214598 /nfs/dbraw/zinc/21/45/98/1045214598.db2.gz RRZHSZDIVALIRE-UHFFFAOYSA-N -1 3 380.622 3.748 20 10 GHCDHM CC(C)NC(=O)N1CC2(C1)CCN(Cc1c([O-])ccc(Cl)c1Cl)CC2 ZINC001279676541 1047910880 /nfs/dbraw/zinc/91/08/80/1047910880.db2.gz GWPGLCVNKHSLBT-UHFFFAOYSA-N -1 3 386.323 3.715 20 10 GHCDHM CCN(Cc1ccccc1)c1ccc(CNC2(c3nn[n-]n3)CCCC2)cc1 ZINC000735407626 1049959769 /nfs/dbraw/zinc/95/97/69/1049959769.db2.gz JHZWGEKTRPABPT-UHFFFAOYSA-N -1 3 376.508 3.785 20 10 GHCDHM CCN(Cc1ccccc1)c1ccc(CNC2(c3nnn[n-]3)CCCC2)cc1 ZINC000735407626 1049959770 /nfs/dbraw/zinc/95/97/70/1049959770.db2.gz JHZWGEKTRPABPT-UHFFFAOYSA-N -1 3 376.508 3.785 20 10 GHCDHM CCc1ncc(S(=O)(=O)[N-]Cc2cc(C)n(-c3cccc(C)c3)c2C)s1 ZINC001309749618 1050953834 /nfs/dbraw/zinc/95/38/34/1050953834.db2.gz PQBZDNUQPSRTNA-UHFFFAOYSA-N -1 3 389.546 3.900 20 10 GHCDHM CCN(CC)c1ccc(CN[C@H](C(=O)[O-])c2ccc(OC)c(F)c2)cc1F ZINC000756363574 1051058439 /nfs/dbraw/zinc/05/84/39/1051058439.db2.gz NEZGWYSXGDCIPS-IBGZPJMESA-N -1 3 378.419 3.735 20 10 GHCDHM CCCN(Cc1nc(=O)c2sccc2[n-]1)Cc1cc(OC)c(OC)cc1O ZINC001323446849 1056971186 /nfs/dbraw/zinc/97/11/86/1056971186.db2.gz UXZZVRFGUXQPNC-UHFFFAOYSA-N -1 3 389.477 3.532 20 10 GHCDHM Cc1cc(C(=O)Nc2ncccc2[O-])c(C)n1-c1ccc(Br)cn1 ZINC001447606599 1059987369 /nfs/dbraw/zinc/98/73/69/1059987369.db2.gz PWGZLZBANAFAAQ-UHFFFAOYSA-N -1 3 387.237 3.605 20 10 GHCDHM COC(=O)CN(CCCOc1ccccc1C)Cc1cc(Cl)ccc1[O-] ZINC001459690248 1064170805 /nfs/dbraw/zinc/17/08/05/1064170805.db2.gz ZJLILZVCXVBOLA-UHFFFAOYSA-N -1 3 377.868 3.798 20 10 GHCDHM COc1cc(OC)c(NC(=O)NCc2c([O-])cccc2F)cc1Br ZINC001466246075 1066050938 /nfs/dbraw/zinc/05/09/38/1066050938.db2.gz IXYWCSUJSNXVTQ-UHFFFAOYSA-N -1 3 399.216 3.633 20 10 GHCDHM CC(C)(C)OC(=O)N1CCC[C@H]1CCCNC(=O)NCc1c([O-])cccc1F ZINC001470203531 1068623784 /nfs/dbraw/zinc/62/37/84/1068623784.db2.gz WAIUHVNSXNOYLE-CQSZACIVSA-N -1 3 395.475 3.510 20 10 GHCDHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)c1 ZINC001471017350 1072885826 /nfs/dbraw/zinc/88/58/26/1072885826.db2.gz HHCVQQPRJXOGHR-UHFFFAOYSA-N -1 3 389.455 3.854 20 10 GHCDHM COCCCN(Cc1ccncc1)Cc1cc(Br)cc(F)c1[O-] ZINC001474502135 1074434874 /nfs/dbraw/zinc/43/48/74/1074434874.db2.gz UDKAFNHBHXVBRJ-UHFFFAOYSA-N -1 3 383.261 3.728 20 10 GHCDHM O=C1[C@H](NCc2ccc(F)c(F)c2[O-])CCN1c1ccc(C(F)(F)F)cc1 ZINC001474663582 1074505035 /nfs/dbraw/zinc/50/50/35/1074505035.db2.gz QUNIBIJAVKJMIW-CQSZACIVSA-N -1 3 386.320 3.584 20 10 GHCDHM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccc(Br)cc2[O-])CC1(C)C ZINC001474707529 1074527013 /nfs/dbraw/zinc/52/70/13/1074527013.db2.gz ZALWQRYJEYXVER-OAHLLOKOSA-N -1 3 399.329 3.890 20 10 GHCDHM Cc1cc(N(C)C)ccc1CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737269263 599063579 /nfs/dbraw/zinc/06/35/79/599063579.db2.gz AWQIQXYQBTYBQI-UHFFFAOYSA-N -1 3 376.386 3.872 20 10 GHCDHM Cc1cc(N(C)C)ccc1CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737269263 599063582 /nfs/dbraw/zinc/06/35/82/599063582.db2.gz AWQIQXYQBTYBQI-UHFFFAOYSA-N -1 3 376.386 3.872 20 10 GHCDHM Cc1cc(C=C2SC(=S)N(c3ccccc3-c3nnn[n-]3)C2=O)ccc1F ZINC000737263405 598287924 /nfs/dbraw/zinc/28/79/24/598287924.db2.gz UMSJUDIIIHFIDR-OQLLNIDSSA-N -1 3 397.460 3.720 20 10 GHCDHM Cc1cc(C=C2SC(=S)N(c3ccccc3-c3nn[n-]n3)C2=O)ccc1F ZINC000737263405 598287926 /nfs/dbraw/zinc/28/79/26/598287926.db2.gz UMSJUDIIIHFIDR-OQLLNIDSSA-N -1 3 397.460 3.720 20 10 GHCDHM CC1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2)CC1 ZINC000736281767 598503286 /nfs/dbraw/zinc/50/32/86/598503286.db2.gz WMZBTAKNRWMISR-UHFFFAOYSA-N -1 3 393.451 3.623 20 10 GHCDHM CC1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2)CC1 ZINC000736281767 598503287 /nfs/dbraw/zinc/50/32/87/598503287.db2.gz WMZBTAKNRWMISR-UHFFFAOYSA-N -1 3 393.451 3.623 20 10 GHCDHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N(Cc1ccccc1O)C1CCCCC1 ZINC000738179388 598813068 /nfs/dbraw/zinc/81/30/68/598813068.db2.gz SZFPPKNOCLTDGV-UHFFFAOYSA-N -1 3 392.463 3.939 20 10 GHCDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N(Cc1ccccc1O)C1CCCCC1 ZINC000738179388 598813070 /nfs/dbraw/zinc/81/30/70/598813070.db2.gz SZFPPKNOCLTDGV-UHFFFAOYSA-N -1 3 392.463 3.939 20 10 GHCDHM Cc1cc(N(C)C)ccc1CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000737269312 599526651 /nfs/dbraw/zinc/52/66/51/599526651.db2.gz CLHBYCKRYDGRKI-UHFFFAOYSA-N -1 3 376.386 3.872 20 10 GHCDHM O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1c([O-])ccc2cc(Br)ccc21 ZINC000739657106 600705199 /nfs/dbraw/zinc/70/51/99/600705199.db2.gz BHZWZJYHVOMTIC-ZDUSSCGKSA-N -1 3 396.306 3.700 20 10 GHCDHM O=C([O-])C[C@H]1CSCC[N@H+]1Cc1c([O-])ccc2cc(Br)ccc21 ZINC000739657106 600705202 /nfs/dbraw/zinc/70/52/02/600705202.db2.gz BHZWZJYHVOMTIC-ZDUSSCGKSA-N -1 3 396.306 3.700 20 10 GHCDHM CCc1ccccc1N1C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)SC1=S ZINC000821497186 606336104 /nfs/dbraw/zinc/33/61/04/606336104.db2.gz QNPMSLIWEHYHJO-ZSOIEALJSA-N -1 3 399.526 3.896 20 10 GHCDHM CCc1ccccc1N1C(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)SC1=S ZINC000821497186 606336105 /nfs/dbraw/zinc/33/61/05/606336105.db2.gz QNPMSLIWEHYHJO-ZSOIEALJSA-N -1 3 399.526 3.896 20 10 GHCDHM CC(C)CN(C(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824248933 607980210 /nfs/dbraw/zinc/98/02/10/607980210.db2.gz DGFGKOIUUWGXCB-WMZJFQQLSA-N -1 3 382.855 3.618 20 10 GHCDHM CC(C)CN(C(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824248933 607980211 /nfs/dbraw/zinc/98/02/11/607980211.db2.gz DGFGKOIUUWGXCB-WMZJFQQLSA-N -1 3 382.855 3.618 20 10 GHCDHM Cc1ccc(N2C(=O)C(=Cc3ccc(F)c(-c4nnn[n-]4)c3)SC2=S)cc1 ZINC000826289571 608873989 /nfs/dbraw/zinc/87/39/89/608873989.db2.gz FYCBRTLFHRCUMB-DHDCSXOGSA-N -1 3 397.460 3.720 20 10 GHCDHM Cc1ccc(N2C(=O)C(=Cc3ccc(F)c(-c4nn[n-]n4)c3)SC2=S)cc1 ZINC000826289571 608873993 /nfs/dbraw/zinc/87/39/93/608873993.db2.gz FYCBRTLFHRCUMB-DHDCSXOGSA-N -1 3 397.460 3.720 20 10 GHCDHM COc1c([O-])c(CN[C@@H](C)c2nc(C(F)(F)F)cs2)ccc1[N+](=O)[O-] ZINC000279041260 842503562 /nfs/dbraw/zinc/50/35/62/842503562.db2.gz OOPNVTSQXIHURY-ZETCQYMHSA-N -1 3 377.344 3.635 20 10 GHCDHM O=C(Cn1cc(Cl)c(=O)[n-]c1=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255431503 845245254 /nfs/dbraw/zinc/24/52/54/845245254.db2.gz OUIJSYOZUFBLBB-UHFFFAOYSA-N -1 3 383.795 3.656 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(CCC(=O)N3CCCC3)cc2)c1 ZINC000273476718 847349600 /nfs/dbraw/zinc/34/96/00/847349600.db2.gz KYJCTSZTYYVTMD-MRXNPFEDSA-N -1 3 396.487 3.907 20 10 GHCDHM Cc1cccc(NC(=O)CN(C)Cc2cc(Br)ccc2[O-])c1C ZINC000161517449 849020206 /nfs/dbraw/zinc/02/02/06/849020206.db2.gz PQTJNHGAYWLHQW-UHFFFAOYSA-N -1 3 377.282 3.842 20 10 GHCDHM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c(C)n1-c1ccc(F)cc1 ZINC000120668778 863224401 /nfs/dbraw/zinc/22/44/01/863224401.db2.gz OWJUXFDYLVAQIJ-UHFFFAOYSA-N -1 3 376.395 3.666 20 10 GHCDHM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c(C)n1-c1ccc(F)cc1 ZINC000120668778 863224411 /nfs/dbraw/zinc/22/44/11/863224411.db2.gz OWJUXFDYLVAQIJ-UHFFFAOYSA-N -1 3 376.395 3.666 20 10 GHCDHM CCN(CC(=O)Nc1ccc(Cl)cn1)Cc1cc(Br)ccc1[O-] ZINC000744425073 868828248 /nfs/dbraw/zinc/82/82/48/868828248.db2.gz AIRFJNLDOGLZJV-UHFFFAOYSA-N -1 3 398.688 3.664 20 10 GHCDHM O=C(Nc1cccc(CNCc2cc([N+](=O)[O-])ccc2[O-])c1)c1ccc(F)cc1 ZINC000101593843 872117076 /nfs/dbraw/zinc/11/70/76/872117076.db2.gz GQUOPKWGISZKIA-UHFFFAOYSA-N -1 3 395.390 3.982 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCC([C@](C)(O)C(F)(F)F)CC2)c1[O-] ZINC000767910172 872955932 /nfs/dbraw/zinc/95/59/32/872955932.db2.gz RHWPDRFUBIDGKH-INIZCTEOSA-N -1 3 379.806 3.774 20 10 GHCDHM COC(=O)CN(Cc1cn(-c2ccccc2)nc1C)Cc1cc(Cl)ccc1[O-] ZINC000769379623 874007463 /nfs/dbraw/zinc/00/74/63/874007463.db2.gz CQCPMWBRWPATIG-UHFFFAOYSA-N -1 3 399.878 3.715 20 10 GHCDHM COC(=O)CN(Cc1cc(-c2ccccc2)n[nH]1)Cc1cc(Cl)ccc1[O-] ZINC000769381024 874008080 /nfs/dbraw/zinc/00/80/80/874008080.db2.gz ZPPYAWOIBZSMKG-UHFFFAOYSA-N -1 3 385.851 3.611 20 10 GHCDHM CC(C)c1nocc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000528861240 875165099 /nfs/dbraw/zinc/16/50/99/875165099.db2.gz JQUMHXGBBCMXCX-OAHLLOKOSA-N -1 3 377.872 3.551 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCN(c3cncc4ccccc43)CC2)c1[O-] ZINC000788475338 878089567 /nfs/dbraw/zinc/08/95/67/878089567.db2.gz RGRBJNMTJKXKMN-UHFFFAOYSA-N -1 3 379.435 3.604 20 10 GHCDHM COc1ccc([C@@H]2CN(Cc3c([O-])cccc3Br)CCO2)cc1 ZINC001183363973 912438897 /nfs/dbraw/zinc/43/88/97/912438897.db2.gz QJZZVPOHABHIPN-SFHVURJKSA-N -1 3 378.266 3.737 20 10 GHCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1nc(Cl)cs1 ZINC000789995326 879385426 /nfs/dbraw/zinc/38/54/26/879385426.db2.gz GSTDQBZJQFCOME-LBPRGKRZSA-N -1 3 386.304 3.550 20 10 GHCDHM O=C(Nc1ccc(F)cc1)N[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792164508 880956314 /nfs/dbraw/zinc/95/63/14/880956314.db2.gz JVYYQEWNVHLLAG-ZDUSSCGKSA-N -1 3 381.810 3.720 20 10 GHCDHM CS(=O)(=O)c1ccc([C@H]2CN(Cc3ccc4ccccc4c3[O-])CCO2)cc1 ZINC000862437914 886381672 /nfs/dbraw/zinc/38/16/72/886381672.db2.gz JNFDXPRFWGMMQO-OAQYLSRUSA-N -1 3 397.496 3.522 20 10 GHCDHM CCN(C)C(=O)OC[C@@H]1CCCCN1Cc1cccc(Br)c1[O-] ZINC000809723779 887749252 /nfs/dbraw/zinc/74/92/52/887749252.db2.gz ORTWJHUECTZPDB-AWEZNQCLSA-N -1 3 385.302 3.598 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cc(F)c(F)cc1F ZINC000747590825 888130341 /nfs/dbraw/zinc/13/03/41/888130341.db2.gz OYJXBVBFIWTREY-CYBMUJFWSA-N -1 3 398.812 3.857 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(NC(=O)c3ccccc3)cn2)c1 ZINC000794833579 888281260 /nfs/dbraw/zinc/28/12/60/888281260.db2.gz GBDGXNUZHSBQDP-CQSZACIVSA-N -1 3 391.427 3.999 20 10 GHCDHM CS(=O)(=O)c1ccc(NCc2cc(Cl)c3cccnc3c2[O-])c(F)c1 ZINC001168522238 890348165 /nfs/dbraw/zinc/34/81/65/890348165.db2.gz CFFSNTKAHRAKJJ-UHFFFAOYSA-N -1 3 380.828 3.749 20 10 GHCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@@H]1CCCCCC(=O)C1 ZINC000813488859 891689362 /nfs/dbraw/zinc/68/93/62/891689362.db2.gz HQDOYJQHVWNOPB-QAPCUYQASA-N -1 3 392.927 3.666 20 10 GHCDHM CCOC(=O)c1csc(CN(CC)Cc2cc(Br)ccc2[O-])n1 ZINC000814625766 892978693 /nfs/dbraw/zinc/97/86/93/892978693.db2.gz UXYUIDUXUGRXPA-UHFFFAOYSA-N -1 3 399.310 3.810 20 10 GHCDHM COc1ccc(N[C@@H](C)c2cccc(C(F)(F)F)c2[O-])cc1-n1nnnc1C ZINC000815612047 894044362 /nfs/dbraw/zinc/04/43/62/894044362.db2.gz BQHZJUOJUJSGLL-JTQLQIEISA-N -1 3 393.369 3.877 20 10 GHCDHM Cc1ccc(NC(=O)C2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)nc1 ZINC000816488942 894857349 /nfs/dbraw/zinc/85/73/49/894857349.db2.gz IJJXNLFADWCJMU-UHFFFAOYSA-N -1 3 377.847 3.739 20 10 GHCDHM COC(=O)CN(Cc1cc(OC)cc(OC)c1)Cc1ccc2ccccc2c1[O-] ZINC000816496290 894863076 /nfs/dbraw/zinc/86/30/76/894863076.db2.gz DCDFDFMGAAWRLW-UHFFFAOYSA-N -1 3 395.455 3.738 20 10 GHCDHM CCOc1cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c(Cl)cn1 ZINC001185530904 913943043 /nfs/dbraw/zinc/94/30/43/913943043.db2.gz ISKQPKURTVLAGN-UHFFFAOYSA-N -1 3 392.242 3.971 20 10 GHCDHM CC[C@@H](C)CO[N-]C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000816979994 895236905 /nfs/dbraw/zinc/23/69/05/895236905.db2.gz CIVMNNOZGDTXGN-HLVNSREUSA-N -1 3 398.575 3.823 20 10 GHCDHM C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccc(Br)cc1[O-] ZINC000824549184 899680104 /nfs/dbraw/zinc/68/01/04/899680104.db2.gz YQCQCBNEMDGROC-GFCCVEGCSA-N -1 3 398.322 3.751 20 10 GHCDHM CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825428337 900137970 /nfs/dbraw/zinc/13/79/70/900137970.db2.gz JYWRURMUJYKNNZ-LLVKDONJSA-N -1 3 375.835 3.948 20 10 GHCDHM CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825428337 900137977 /nfs/dbraw/zinc/13/79/77/900137977.db2.gz JYWRURMUJYKNNZ-LLVKDONJSA-N -1 3 375.835 3.948 20 10 GHCDHM CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825428337 900137984 /nfs/dbraw/zinc/13/79/84/900137984.db2.gz JYWRURMUJYKNNZ-LLVKDONJSA-N -1 3 375.835 3.948 20 10 GHCDHM CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825428337 900137992 /nfs/dbraw/zinc/13/79/92/900137992.db2.gz JYWRURMUJYKNNZ-LLVKDONJSA-N -1 3 375.835 3.948 20 10 GHCDHM [O-]c1cc(F)c(Br)cc1CN1CCN(Cc2ccccc2)CC1 ZINC001144292951 901622809 /nfs/dbraw/zinc/62/28/09/901622809.db2.gz KLIWIMKKAYPABA-UHFFFAOYSA-N -1 3 379.273 3.612 20 10 GHCDHM [O-]c1ccc(Br)cc1CN1CCN(c2cc(Cl)ccn2)CC1 ZINC001203645840 914807304 /nfs/dbraw/zinc/80/73/04/914807304.db2.gz UCHRDANOJYKROC-UHFFFAOYSA-N -1 3 382.689 3.525 20 10 GHCDHM Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2cccc(O)c2[O-])c1 ZINC000193138715 908102946 /nfs/dbraw/zinc/10/29/46/908102946.db2.gz KBSTYVFWOSYISY-NRFANRHFSA-N -1 3 377.440 3.782 20 10 GHCDHM COc1ccc(CN2CCCN(Cc3cc(Cl)c(C)cc3[O-])CC2=O)cc1 ZINC001180595174 910261086 /nfs/dbraw/zinc/26/10/86/910261086.db2.gz ZNUNONOIXGBKGZ-UHFFFAOYSA-N -1 3 388.895 3.597 20 10 GHCDHM CCN(Cc1cc(Cl)cc(Br)c1[O-])C[C@@H](O)C(F)(F)F ZINC001181072443 910545600 /nfs/dbraw/zinc/54/56/00/910545600.db2.gz HXOMGWMUPIHTRF-SNVBAGLBSA-N -1 3 376.600 3.553 20 10 GHCDHM CN(CC(=O)Nc1cc(F)cc(F)c1)Cc1cccc(Br)c1[O-] ZINC000093012627 912009923 /nfs/dbraw/zinc/00/99/23/912009923.db2.gz ATHKCSAGSHDHSK-UHFFFAOYSA-N -1 3 385.208 3.503 20 10 GHCDHM O=[N+]([O-])c1cc(Cl)cc(CN(CCc2ccccn2)Cc2cccnc2)c1[O-] ZINC000797605547 932342318 /nfs/dbraw/zinc/34/23/18/932342318.db2.gz QGSZTJDXTFTCLH-UHFFFAOYSA-N -1 3 398.850 3.989 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCCc3c2cccc3S(C)(=O)=O)c1[O-] ZINC001116348991 933500251 /nfs/dbraw/zinc/50/02/51/933500251.db2.gz VJKHJRCHVJPJNG-UHFFFAOYSA-N -1 3 393.892 3.605 20 10 GHCDHM CC1CCN(c2nnc(-c3sc4ncccc4c3[O-])n2C[C@H]2CCOC2)CC1 ZINC001123130889 935086472 /nfs/dbraw/zinc/08/64/72/935086472.db2.gz QQTPNDCTGXEQIP-CQSZACIVSA-N -1 3 399.520 3.533 20 10 GHCDHM CCN(Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)Cc1ccc(N(C)C)cc1 ZINC001603747613 974191065 /nfs/dbraw/zinc/19/10/65/974191065.db2.gz ZITXERVWAHTZAM-SFHVURJKSA-N -1 3 385.508 3.669 20 10 GHCDHM COc1ccc(O)c([C@@H](C)N[C@H](C(=O)[O-])c2ccccc2Br)c1 ZINC001599598221 993777144 /nfs/dbraw/zinc/77/71/44/993777144.db2.gz IRBZSKMSICEKHE-HWPZZCPQSA-N -1 3 380.238 3.640 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)c1cnn(-c2cccc(F)c2)c1C(F)(F)F ZINC001156178094 1032914389 /nfs/dbraw/zinc/91/43/89/1032914389.db2.gz VIYTYYXCGQZNSC-UHFFFAOYSA-N -1 3 397.303 3.805 20 10 GHCDHM CC(C)(C)OC(=O)N1CCC[C@@]2(CN(Cc3ccc(Cl)cc3[O-])CCO2)C1 ZINC001140462913 1021753780 /nfs/dbraw/zinc/75/37/80/1021753780.db2.gz NZVZXTOUEUHKHV-HXUWFJFHSA-N -1 3 396.915 3.648 20 10 GHCDHM CC(C)(C)OC(=O)N1CCC[C@]2(CN(Cc3ccc(Cl)cc3[O-])CCO2)C1 ZINC001140462912 1021754621 /nfs/dbraw/zinc/75/46/21/1021754621.db2.gz NZVZXTOUEUHKHV-FQEVSTJZSA-N -1 3 396.915 3.648 20 10 GHCDHM CCOC[C@H]1CN(Cc2ccc(Cl)cc2[O-])Cc2cn(CC3CC3)nc21 ZINC001140467119 1021762946 /nfs/dbraw/zinc/76/29/46/1021762946.db2.gz MBWZCLBJVOBSEH-QGZVFWFLSA-N -1 3 375.900 3.788 20 10 GHCDHM CCOC(=O)CN(Cc1ccccc1)Cc1ccc(Br)cc1[O-] ZINC001205193015 1033292164 /nfs/dbraw/zinc/29/21/64/1033292164.db2.gz HEPFWBJDWMMMLU-UHFFFAOYSA-N -1 3 378.266 3.720 20 10 GHCDHM [O-]c1c(F)ccc(F)c1CN1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001139682262 1026537168 /nfs/dbraw/zinc/53/71/68/1026537168.db2.gz UNYWXRUKFNXURQ-RXVVDRJESA-N -1 3 390.430 3.516 20 10 GHCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@@]2(C1)CCCN(c1ncccn1)C2 ZINC001203575654 1027445374 /nfs/dbraw/zinc/44/53/74/1027445374.db2.gz WCWGLPUQTGRQCB-LJQANCHMSA-N -1 3 393.318 3.982 20 10 GHCDHM C[C@@H]1CCN(Cc2cc(Br)ccc2[O-])CCN1C(=O)OC(C)(C)C ZINC001203636228 1027494249 /nfs/dbraw/zinc/49/42/49/1027494249.db2.gz QGPSBJYAWWMPEW-CYBMUJFWSA-N -1 3 399.329 3.986 20 10 GHCDHM O=C(CCCN1CCN(Cc2cc(Cl)ccc2[O-])CC1)c1ccc(F)cc1 ZINC001203665650 1027518850 /nfs/dbraw/zinc/51/88/50/1027518850.db2.gz RLNFNFMQTQURBJ-UHFFFAOYSA-N -1 3 390.886 3.965 20 10 GHCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001142512731 1029015662 /nfs/dbraw/zinc/01/56/62/1029015662.db2.gz JKCNYLHEYMJLCY-FPOVZHCZSA-N -1 3 390.430 3.516 20 10 GHCDHM COc1ccc(Br)c(-c2noc(-c3ccc([O-])c(O)c3Cl)n2)n1 ZINC001216954231 1030026454 /nfs/dbraw/zinc/02/64/54/1030026454.db2.gz SSFJNAPCDJGTJE-UHFFFAOYSA-N -1 3 398.600 3.634 20 10 GHCDHM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001157105436 1033416403 /nfs/dbraw/zinc/41/64/03/1033416403.db2.gz IZNCGKJLFBGXBD-UHFFFAOYSA-N -1 3 380.448 3.943 20 10 GHCDHM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001157105436 1033416414 /nfs/dbraw/zinc/41/64/14/1033416414.db2.gz IZNCGKJLFBGXBD-UHFFFAOYSA-N -1 3 380.448 3.943 20 10 GHCDHM O=C(NC[C@H]1CCCCN1Cc1cc(F)cc(F)c1[O-])Nc1ccccc1 ZINC001461885574 1069835609 /nfs/dbraw/zinc/83/56/09/1069835609.db2.gz FUUTVOBMDAWQGW-QGZVFWFLSA-N -1 3 375.419 3.847 20 10 GHCDHM CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc(C(=O)[O-])ccc1O ZINC001231566007 1034714204 /nfs/dbraw/zinc/71/42/04/1034714204.db2.gz GZHYUDJJMBMBMJ-XYPHTWIQSA-N -1 3 375.465 3.565 20 10 GHCDHM CCCCN1CC[C@]2(CCCN2Cc2cc(C)cc(Br)c2[O-])C1=O ZINC001277541432 1034761283 /nfs/dbraw/zinc/76/12/83/1034761283.db2.gz XERRDJNEBGBBQB-LJQANCHMSA-N -1 3 395.341 3.830 20 10 GHCDHM Cc1cc([O-])c(CN2CCCn3cnc(COc4cccnc4)c3C2)cc1Cl ZINC001231869626 1034956438 /nfs/dbraw/zinc/95/64/38/1034956438.db2.gz SWTISQIOOLTKAU-UHFFFAOYSA-N -1 3 398.894 3.930 20 10 GHCDHM [O-]c1c(O)cc2c(c1Cl)CCN(Cc1ccon1)C[C@H]2c1ccc(O)cc1 ZINC001209565864 1035313792 /nfs/dbraw/zinc/31/37/92/1035313792.db2.gz AVGKMIQRBQPCLH-KRWDZBQOSA-N -1 3 386.835 3.635 20 10 GHCDHM CCC1CCN(Cc2ccc(OC)c(I)c2[O-])CC1 ZINC001248481717 1035909186 /nfs/dbraw/zinc/90/91/86/1035909186.db2.gz CBLYTXZGFZJJPC-UHFFFAOYSA-N -1 3 375.250 3.627 20 10 GHCDHM CCn1nnc2c1CCN(Cc1cc(Cl)c(C(C)(C)C)cc1[O-])[C@@H]2COC ZINC001248879499 1036218380 /nfs/dbraw/zinc/21/83/80/1036218380.db2.gz AKYRRUVPNVMCGQ-QGZVFWFLSA-N -1 3 392.931 3.700 20 10 GHCDHM CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(Cl)c([O-])cc1O ZINC001232257522 1037979665 /nfs/dbraw/zinc/97/96/65/1037979665.db2.gz GHYSREKKMANSAC-HNNXBMFYSA-N -1 3 384.904 3.829 20 10 GHCDHM O=C([C@@H]1CCCN(Cc2c([O-])cc(Br)cc2F)C1)N1CCCCC1 ZINC001233030712 1038783041 /nfs/dbraw/zinc/78/30/41/1038783041.db2.gz LAURWSCCQQEHJU-CYBMUJFWSA-N -1 3 399.304 3.518 20 10 GHCDHM CC(C)(C)OC(=O)NC1CC2(C1)CN(Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001233418444 1039279886 /nfs/dbraw/zinc/27/98/86/1039279886.db2.gz HMFBXQNLDZDOAP-UHFFFAOYSA-N -1 3 386.414 3.900 20 10 GHCDHM COc1c(O[C@@H](C)C(F)(F)F)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234127273 1039870117 /nfs/dbraw/zinc/87/01/17/1039870117.db2.gz PTRHVQMCQBUFSM-VIFPVBQESA-N -1 3 380.318 3.814 20 10 GHCDHM O=c1c2cc(O)c([O-])cc2oc2cc([O-])cc(O[C@H]3CCCc4cccnc43)c12 ZINC001234748911 1040273983 /nfs/dbraw/zinc/27/39/83/1040273983.db2.gz NIYWYNKYFWNTMJ-INIZCTEOSA-N -1 3 391.379 3.914 20 10 GHCDHM O=c1c2cc(O)c(O)cc2oc2cc([O-])cc(O[C@H]3CCCc4cccnc43)c12 ZINC001234748911 1040274002 /nfs/dbraw/zinc/27/40/02/1040274002.db2.gz NIYWYNKYFWNTMJ-INIZCTEOSA-N -1 3 391.379 3.914 20 10 GHCDHM CC(=O)N1CCCCC12CCN(Cc1cc(F)cc(Br)c1[O-])CC2 ZINC001235300817 1040771670 /nfs/dbraw/zinc/77/16/70/1040771670.db2.gz BYPVKJHSSFVGCM-UHFFFAOYSA-N -1 3 399.304 3.661 20 10 GHCDHM [O-]c1c(Br)cc(F)cc1CN1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC001235310044 1040783500 /nfs/dbraw/zinc/78/35/00/1040783500.db2.gz ZTOHYFUMWLTDIE-GJZGRUSLSA-N -1 3 391.284 3.862 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CC(CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC001236662844 1041811198 /nfs/dbraw/zinc/81/11/98/1041811198.db2.gz IPMCJSUOFDRQBM-UHFFFAOYSA-N -1 3 399.329 3.762 20 10 GHCDHM [O-]c1cc(Cl)c(Cl)cc1CN1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001236790470 1041895857 /nfs/dbraw/zinc/89/58/57/1041895857.db2.gz OTUGVRWADONRHO-WDSOQIARSA-N -1 3 395.286 3.905 20 10 GHCDHM COc1ccc(CN2CC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c([O-])c1Cl ZINC001236801639 1041904312 /nfs/dbraw/zinc/90/43/12/1041904312.db2.gz LENICHIAAIEECR-KBPBESRZSA-N -1 3 382.888 3.638 20 10 GHCDHM COc1ccc(CN2CCCN(C(=O)OC(C)(C)C)CCC2)c([O-])c1Cl ZINC001236809429 1041909850 /nfs/dbraw/zinc/90/98/50/1041909850.db2.gz MEKOLJABHPXWCA-UHFFFAOYSA-N -1 3 384.904 3.887 20 10 GHCDHM COc1ccc(CN2CCC(NC(=O)c3ccccc3F)CC2)c([O-])c1Cl ZINC001236810564 1041910709 /nfs/dbraw/zinc/91/07/09/1041910709.db2.gz UGKAREXULWVNAH-UHFFFAOYSA-N -1 3 392.858 3.588 20 10 GHCDHM COc1ccc(CN2CCC(Oc3cc(Cl)ncn3)CC2)c([O-])c1Cl ZINC001236812468 1041912112 /nfs/dbraw/zinc/91/21/12/1041912112.db2.gz WSORMXJDHSLAST-UHFFFAOYSA-N -1 3 384.263 3.541 20 10 GHCDHM COc1ccc(CN(C)Cc2cc(OC)c(OC)c(OC)c2)c([O-])c1Cl ZINC001236812558 1041912312 /nfs/dbraw/zinc/91/23/12/1041912312.db2.gz YWGKHOSSUFTRQA-UHFFFAOYSA-N -1 3 381.856 3.712 20 10 GHCDHM COc1cc([O-])c(CN(C)Cc2nc3ccccc3o2)c(Br)c1 ZINC001237072000 1042022288 /nfs/dbraw/zinc/02/22/88/1042022288.db2.gz YTXICVOGLRWNFC-UHFFFAOYSA-N -1 3 377.238 3.937 20 10 GHCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001237618773 1042284975 /nfs/dbraw/zinc/28/49/75/1042284975.db2.gz KUSHINBSVRGWLT-OXQOHEQNSA-N -1 3 392.858 3.782 20 10 GHCDHM C[C@H]1CCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])CC[C@@H]1O ZINC001237784069 1042367500 /nfs/dbraw/zinc/36/75/00/1042367500.db2.gz PEUTYPBTNFUGOV-ZANVPECISA-N -1 3 382.220 3.766 20 10 GHCDHM Cc1ccc([C@@H]2C[C@H]2c2nnc(-c3ccc([O-])c(CN4CCOCC4)c3)o2)cc1 ZINC001257341979 1043968989 /nfs/dbraw/zinc/96/89/89/1043968989.db2.gz OWNBVMGLKBRZAY-VQTJNVASSA-N -1 3 391.471 3.854 20 10 GHCDHM O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc([O-])c(Br)c1 ZINC001259240545 1045036287 /nfs/dbraw/zinc/03/62/87/1045036287.db2.gz BMBWKQKGLMMTKE-UHFFFAOYSA-N -1 3 376.659 3.750 20 10 GHCDHM CCOC(=O)c1cc(NC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)[n-]n1 ZINC001295912573 1045187204 /nfs/dbraw/zinc/18/72/04/1045187204.db2.gz JBRPWNCVZDECQT-UHFFFAOYSA-N -1 3 380.448 3.863 20 10 GHCDHM CCOC(=O)c1cc(NC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)n[n-]1 ZINC001295912573 1045187215 /nfs/dbraw/zinc/18/72/15/1045187215.db2.gz JBRPWNCVZDECQT-UHFFFAOYSA-N -1 3 380.448 3.863 20 10 GHCDHM C[C@@H]1CCN(c2nnc(-c3sc4ncccc4c3[O-])n2C[C@@H]2CCOC2)[C@H]1C ZINC001263532201 1046926702 /nfs/dbraw/zinc/92/67/02/1046926702.db2.gz JVRXMMZVHXYTOE-RDBSUJKOSA-N -1 3 399.520 3.532 20 10 GHCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@@]2(CCSC2)C1 ZINC001351381799 1064420675 /nfs/dbraw/zinc/42/06/75/1064420675.db2.gz BGJHUGPPBWCKCZ-GOSISDBHSA-N -1 3 387.534 3.521 20 10 GHCDHM Cc1cc(C(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC001465650480 1065769781 /nfs/dbraw/zinc/76/97/81/1065769781.db2.gz LKQYCFZQLBOGRA-UHFFFAOYSA-N -1 3 380.448 3.979 20 10 GHCDHM COc1cccc(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1O ZINC001465993485 1065949030 /nfs/dbraw/zinc/94/90/30/1065949030.db2.gz PWNMPHBZGSOVJT-UHFFFAOYSA-N -1 3 377.440 3.822 20 10 GHCDHM O=C1C[C@H](NCc2c([O-])ccc(Cl)c2F)CN1c1ccc(Cl)c(F)c1 ZINC001474073099 1074254537 /nfs/dbraw/zinc/25/45/37/1074254537.db2.gz GBIOJXYMHCTLIQ-VIFPVBQESA-N -1 3 387.213 3.872 20 10 GHCDHM Cc1cc([O-])c(CN2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)cc1Cl ZINC001474627490 1074489321 /nfs/dbraw/zinc/48/93/21/1074489321.db2.gz MFHUXWAYZWILLK-QGZVFWFLSA-N -1 3 394.924 3.760 20 10 GHCDHM CN(Cc1cc(F)cc(F)c1[O-])C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001474669319 1074507179 /nfs/dbraw/zinc/50/71/79/1074507179.db2.gz ZTFFDDMJIYKKBQ-CQSZACIVSA-N -1 3 392.229 3.849 20 10 GHCDHM Cc1cc(C(=O)N2CCC[C@H]2C(C)(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235118 598233855 /nfs/dbraw/zinc/23/38/55/598233855.db2.gz SBVGOAAVAABFOV-IBGZPJMESA-N -1 3 392.507 3.925 20 10 GHCDHM Cc1cc(C(=O)N2CCC[C@@H]2C(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235077 598611880 /nfs/dbraw/zinc/61/18/80/598611880.db2.gz RNMOHUODWDGVTJ-LJQANCHMSA-N -1 3 378.480 3.535 20 10 GHCDHM Clc1cc(N2CC=C(c3c[nH]c4ncccc34)CC2)ccc1-c1nnn[n-]1 ZINC000737566429 598637699 /nfs/dbraw/zinc/63/76/99/598637699.db2.gz SUJXEAPIHIHIIK-UHFFFAOYSA-N -1 3 377.839 3.690 20 10 GHCDHM Clc1cc(N2CC=C(c3c[nH]c4ncccc34)CC2)ccc1-c1nn[n-]n1 ZINC000737566429 598637701 /nfs/dbraw/zinc/63/77/01/598637701.db2.gz SUJXEAPIHIHIIK-UHFFFAOYSA-N -1 3 377.839 3.690 20 10 GHCDHM COc1ccc(-c2nn[n-]n2)cc1CSc1ncc(-c2ccccc2)n1C ZINC000821752660 607378147 /nfs/dbraw/zinc/37/81/47/607378147.db2.gz PSNXCPIXRQBMAD-UHFFFAOYSA-N -1 3 378.461 3.568 20 10 GHCDHM Clc1ccc(C2=CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CC2)cn1 ZINC000826351572 608296103 /nfs/dbraw/zinc/29/61/03/608296103.db2.gz RQSQNQNTLBHBSP-UHFFFAOYSA-N -1 3 389.850 3.757 20 10 GHCDHM Clc1ccc(C2=CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CC2)cn1 ZINC000826351572 608296104 /nfs/dbraw/zinc/29/61/04/608296104.db2.gz RQSQNQNTLBHBSP-UHFFFAOYSA-N -1 3 389.850 3.757 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)c([O-])c1O ZINC000185707202 861220870 /nfs/dbraw/zinc/22/08/70/861220870.db2.gz USOOGYRVKOCMGM-UHFFFAOYSA-N -1 3 392.459 3.567 20 10 GHCDHM COC(=O)CN(Cc1nc(C(F)(F)F)cs1)Cc1cc(Cl)ccc1[O-] ZINC000157277740 855935229 /nfs/dbraw/zinc/93/52/29/855935229.db2.gz WXVHKCDPKONXCD-UHFFFAOYSA-N -1 3 394.802 3.696 20 10 GHCDHM COc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000896945819 864116476 /nfs/dbraw/zinc/11/64/76/864116476.db2.gz BNIPEMKRMGPQLJ-CQSZACIVSA-N -1 3 376.403 3.530 20 10 GHCDHM CCC(C)(C)c1cc(NCc2cc(C)cc(Br)c2[O-])n(CCO)n1 ZINC000793230270 882025981 /nfs/dbraw/zinc/02/59/81/882025981.db2.gz FQTUVYNHNKJTGG-UHFFFAOYSA-N -1 3 396.329 3.952 20 10 GHCDHM CC1(C)CN(Cc2ccc(I)cc2[O-])CCC1(F)F ZINC001232976532 867501450 /nfs/dbraw/zinc/50/14/50/867501450.db2.gz SBQAHQXWAXMCPB-UHFFFAOYSA-N -1 3 381.204 3.864 20 10 GHCDHM CCCOC(=O)N1CCc2c(Cl)c([O-])c(O)cc2[C@H](c2ccc(O)cc2)C1 ZINC001194113572 871484333 /nfs/dbraw/zinc/48/43/33/871484333.db2.gz WUAHENJPGKTBOJ-INIZCTEOSA-N -1 3 391.851 3.993 20 10 GHCDHM C[C@@](O)(C1CCN(Cc2cccc(Br)c2[O-])CC1)C(F)(F)F ZINC000768531364 873365396 /nfs/dbraw/zinc/36/53/96/873365396.db2.gz CMHQEWUIGIGZHJ-CQSZACIVSA-N -1 3 382.220 3.680 20 10 GHCDHM CN(C)c1c(F)cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc1F ZINC001197860060 874082362 /nfs/dbraw/zinc/08/23/62/874082362.db2.gz YSPMTMQUZBYWDP-UHFFFAOYSA-N -1 3 391.805 3.868 20 10 GHCDHM CCN1CCN(c2cccc([N-]S(=O)(=O)c3ccc(C)cc3Cl)c2)CC1 ZINC000769848917 874324435 /nfs/dbraw/zinc/32/44/35/874324435.db2.gz RMJBSNUXXSJGPL-UHFFFAOYSA-N -1 3 393.940 3.591 20 10 GHCDHM CN(C)C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000858287061 883002534 /nfs/dbraw/zinc/00/25/34/883002534.db2.gz LAZSFFRHENQYHI-MRXNPFEDSA-N -1 3 384.263 4.000 20 10 GHCDHM COC(=O)CN(Cc1ncc(-c2cccs2)o1)Cc1cc(Cl)ccc1[O-] ZINC000109779979 877429880 /nfs/dbraw/zinc/42/98/80/877429880.db2.gz XRXQVTPCXVDFLF-UHFFFAOYSA-N -1 3 392.864 3.937 20 10 GHCDHM COC(=O)CN(Cc1coc(-c2cccs2)n1)Cc1cc(Cl)ccc1[O-] ZINC000109779862 877430942 /nfs/dbraw/zinc/43/09/42/877430942.db2.gz RULRUHNQOSDMOJ-UHFFFAOYSA-N -1 3 392.864 3.937 20 10 GHCDHM COC(=O)c1cccc2[nH]c(NCc3cc(C)cc(Br)c3[O-])nc21 ZINC000787796179 877625644 /nfs/dbraw/zinc/62/56/44/877625644.db2.gz ONEGAGKSVUTUBL-UHFFFAOYSA-N -1 3 390.237 3.738 20 10 GHCDHM Nc1nc2ccc(CC(=O)NCc3cc(Cl)c4cccnc4c3[O-])cc2s1 ZINC001183302195 912410605 /nfs/dbraw/zinc/41/06/05/912410605.db2.gz FBDHGLVRVQVQHE-UHFFFAOYSA-N -1 3 398.875 3.645 20 10 GHCDHM C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(N2CCOCC2)cc1 ZINC000792086096 880917642 /nfs/dbraw/zinc/91/76/42/880917642.db2.gz SGPAOFGIBHDAOB-INIZCTEOSA-N -1 3 376.456 3.873 20 10 GHCDHM CN(C)c1ccc(CN[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)c(C(F)(F)F)c1 ZINC000859817699 884086872 /nfs/dbraw/zinc/08/68/72/884086872.db2.gz RXDAVTGUYZMIAK-GOSISDBHSA-N -1 3 394.393 3.622 20 10 GHCDHM NC(=O)Cc1cccc(C(=O)c2ccccc2)c1Nc1ccc([O-])c(F)c1F ZINC001212011080 891311813 /nfs/dbraw/zinc/31/18/13/891311813.db2.gz QCBQZUQCKWTMST-UHFFFAOYSA-N -1 3 382.366 3.673 20 10 GHCDHM COc1ccc([C@@H]2CCCN2Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c(OC)c1 ZINC000774820648 913647030 /nfs/dbraw/zinc/64/70/30/913647030.db2.gz CZUKVHQACMCFHQ-INIZCTEOSA-N -1 3 388.420 3.663 20 10 GHCDHM COc1c([O-])c(CN(C)Cc2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000774821672 913650214 /nfs/dbraw/zinc/65/02/14/913650214.db2.gz FZXAPXFEHARHOO-UHFFFAOYSA-N -1 3 381.226 3.704 20 10 GHCDHM COCCNC(=O)c1cccc(N[C@@H](C)c2cccc(C(F)(F)F)c2[O-])c1 ZINC000815624549 894055911 /nfs/dbraw/zinc/05/59/11/894055911.db2.gz BNTZPOHQHFCOHO-LBPRGKRZSA-N -1 3 382.382 3.960 20 10 GHCDHM CC1(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])CCC2(CC1)OCCO2 ZINC001185699119 914026840 /nfs/dbraw/zinc/02/68/40/914026840.db2.gz SFPPECMXBFLKJH-UHFFFAOYSA-N -1 3 390.867 3.533 20 10 GHCDHM COc1ccc(N2CC[C@@H](CNC(=O)c3cc4sccc4c([O-])c3)C2)cc1 ZINC000819588634 896838766 /nfs/dbraw/zinc/83/87/66/896838766.db2.gz NJKXKJZLHCYGHW-AWEZNQCLSA-N -1 3 382.485 3.872 20 10 GHCDHM COc1c([O-])c(CNc2ccccc2OC[C@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000774935788 914127844 /nfs/dbraw/zinc/12/78/44/914127844.db2.gz VCGJMPJYJITLQJ-OAHLLOKOSA-N -1 3 388.420 3.869 20 10 GHCDHM COc1ccccc1[C@H](CO)NCc1cc(Cl)cc(Br)c1[O-] ZINC000883004703 897200400 /nfs/dbraw/zinc/20/04/00/897200400.db2.gz SFUOCIQJCYLXQT-AWEZNQCLSA-N -1 3 386.673 3.640 20 10 GHCDHM CCc1ccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c([O-])c1 ZINC001136311678 897217931 /nfs/dbraw/zinc/21/79/31/897217931.db2.gz ZBXWAHRLQOFGBH-GASCZTMLSA-N -1 3 386.467 3.637 20 10 GHCDHM Cc1cc(C(=O)Nc2cccc(C)c2F)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826299759 897258454 /nfs/dbraw/zinc/25/84/54/897258454.db2.gz UFAVNOSWDCDOFN-UHFFFAOYSA-N -1 3 390.422 3.974 20 10 GHCDHM CC[C@H]1[C@@H](CO)CCN1Cc1cc(Br)cc(Br)c1[O-] ZINC000824636230 899730486 /nfs/dbraw/zinc/73/04/86/899730486.db2.gz MRACAGXQKVWGFM-RNCFNFMXSA-N -1 3 393.119 3.510 20 10 GHCDHM COCCN(Cc1ccc(F)c(Cl)c1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000825275404 900087534 /nfs/dbraw/zinc/08/75/34/900087534.db2.gz LGLXVNRJXCCBGG-UHFFFAOYSA-N -1 3 398.818 3.750 20 10 GHCDHM Cc1cc([O-])c(CN2CCOC[C@@H]2c2noc(-c3ccccc3)n2)cc1Cl ZINC000825461764 900178356 /nfs/dbraw/zinc/17/83/56/900178356.db2.gz OAILUHIFALSBMS-QGZVFWFLSA-N -1 3 385.851 3.978 20 10 GHCDHM C[C@@H](NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1c([O-])cccc1F ZINC000886612275 901190778 /nfs/dbraw/zinc/19/07/78/901190778.db2.gz HPURXPNQIOGJEI-CQSZACIVSA-N -1 3 397.450 3.751 20 10 GHCDHM [O-]c1c(F)cccc1C[NH2+]Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826510817 901378700 /nfs/dbraw/zinc/37/87/00/901378700.db2.gz LXEKDCRFUBAPEO-UHFFFAOYSA-N -1 3 375.407 3.668 20 10 GHCDHM O=C(C1CCN(Cc2cc(Br)c(F)cc2[O-])CC1)N1CCCCC1 ZINC001144299678 901649257 /nfs/dbraw/zinc/64/92/57/901649257.db2.gz FZCKVKGYCRCCOV-UHFFFAOYSA-N -1 3 399.304 3.518 20 10 GHCDHM Cc1ccc(C(=O)N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c([O-])c1 ZINC001148500558 904099083 /nfs/dbraw/zinc/09/90/83/904099083.db2.gz POIXHXZTPQYSNE-UHFFFAOYSA-N -1 3 380.366 3.562 20 10 GHCDHM [O-]c1c(Br)cccc1CNCc1ncc(Br)s1 ZINC000714912676 904531647 /nfs/dbraw/zinc/53/16/47/904531647.db2.gz KSSPXZTWKKGEOR-UHFFFAOYSA-N -1 3 378.089 3.664 20 10 GHCDHM O=C(Cc1cccc(C(F)(F)F)n1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001176017127 907883474 /nfs/dbraw/zinc/88/34/74/907883474.db2.gz NBFKVUYMPOEGNX-UHFFFAOYSA-N -1 3 395.768 3.867 20 10 GHCDHM O=C(CCc1c[nH]c2ncccc12)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001181035829 910523349 /nfs/dbraw/zinc/52/33/49/910523349.db2.gz OBZCAZBJRLNUIW-UHFFFAOYSA-N -1 3 380.835 3.719 20 10 GHCDHM COc1c([O-])c(CNCc2cccc(C)c2Br)ccc1[N+](=O)[O-] ZINC000775105844 915111038 /nfs/dbraw/zinc/11/10/38/915111038.db2.gz DPDYXWZJBUKKRQ-UHFFFAOYSA-N -1 3 381.226 3.670 20 10 GHCDHM CN1CCN(c2cccc([N-]S(=O)(=O)c3ccc(F)c4ccccc43)c2)CC1 ZINC001189388883 916584127 /nfs/dbraw/zinc/58/41/27/916584127.db2.gz HYKSYGONPAIEHN-UHFFFAOYSA-N -1 3 399.491 3.532 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccc(-n2cccc2)nc1 ZINC001190400121 917301150 /nfs/dbraw/zinc/30/11/50/917301150.db2.gz REFBMVXGFPGPPB-UHFFFAOYSA-N -1 3 378.819 3.710 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@H]2N(C)c3ccccc3C(=O)N2Cc2ccco2)c1 ZINC000726796765 926857837 /nfs/dbraw/zinc/85/78/37/926857837.db2.gz CUWVXSYPLYQABD-FQEVSTJZSA-N -1 3 392.411 3.563 20 10 GHCDHM Cc1nc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c(C)s1 ZINC000752625861 928935276 /nfs/dbraw/zinc/93/52/76/928935276.db2.gz LBKFBGFOFCRIDK-OAHLLOKOSA-N -1 3 379.913 3.513 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000757588572 929736970 /nfs/dbraw/zinc/73/69/70/929736970.db2.gz DOOUKRJJHYBJSH-OAGGEKHMSA-N -1 3 384.476 3.966 20 10 GHCDHM COc1ccc(N[C@@H]2C[C@H](C)c3c2c(O)ccc3C)cc1[N-]S(C)(=O)=O ZINC001116568186 933637826 /nfs/dbraw/zinc/63/78/26/933637826.db2.gz OORKBSBZWVCCBL-SWLSCSKDSA-N -1 3 376.478 3.741 20 10 GHCDHM O=C([N-]c1c2nonc2ccc1Cl)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001117507899 933946792 /nfs/dbraw/zinc/94/67/92/933946792.db2.gz YHJUWMLJHUSEMM-UHFFFAOYSA-N -1 3 384.682 3.638 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC([C@H]2CCCO2)CC1 ZINC001122035714 934805608 /nfs/dbraw/zinc/80/56/08/934805608.db2.gz JQVIYOUJODTQNO-OAHLLOKOSA-N -1 3 399.520 3.676 20 10 GHCDHM Cc1ccc2c(n1)N(Cc1cccnc1)CCN(Cc1c([O-])cccc1F)C2 ZINC001137835627 935815412 /nfs/dbraw/zinc/81/54/12/935815412.db2.gz LMURJGYAUIRUAP-UHFFFAOYSA-N -1 3 378.451 3.652 20 10 GHCDHM COc1cc(C)c(C[N@H+](CC(=O)[O-])Cc2cccc(Br)c2)c([O-])c1 ZINC001599390990 997035902 /nfs/dbraw/zinc/03/59/02/997035902.db2.gz FXBUYYZWZHRVEE-UHFFFAOYSA-N -1 3 394.265 3.559 20 10 GHCDHM COc1cc(C)c(C[N@@H+](CC(=O)[O-])Cc2cccc(Br)c2)c([O-])c1 ZINC001599390990 997035910 /nfs/dbraw/zinc/03/59/10/997035910.db2.gz FXBUYYZWZHRVEE-UHFFFAOYSA-N -1 3 394.265 3.559 20 10 GHCDHM COc1cc(Cl)cc(CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1O ZINC001599420959 997593391 /nfs/dbraw/zinc/59/33/91/997593391.db2.gz SOMLHFWCRJQRIX-UHFFFAOYSA-N -1 3 385.794 3.809 20 10 GHCDHM COc1cc(Cl)cc(C[N@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1[O-] ZINC001599420959 997593404 /nfs/dbraw/zinc/59/34/04/997593404.db2.gz SOMLHFWCRJQRIX-UHFFFAOYSA-N -1 3 385.794 3.809 20 10 GHCDHM COc1cc(Cl)cc(C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1[O-] ZINC001599420959 997593415 /nfs/dbraw/zinc/59/34/15/997593415.db2.gz SOMLHFWCRJQRIX-UHFFFAOYSA-N -1 3 385.794 3.809 20 10 GHCDHM Cc1c(Br)c2ccccc2n1CC(=O)NCc1c([O-])cccc1F ZINC001156171364 1032912134 /nfs/dbraw/zinc/91/21/34/1032912134.db2.gz ZUHQBKOFQMIBQN-UHFFFAOYSA-N -1 3 391.240 3.873 20 10 GHCDHM CCOC[C@H]1CN(Cc2c([O-])cccc2Cl)Cc2cn(CC3CC3)nc21 ZINC001140338310 1021442924 /nfs/dbraw/zinc/44/29/24/1021442924.db2.gz FCVMWLZEZNFPFK-MRXNPFEDSA-N -1 3 375.900 3.788 20 10 GHCDHM CCOC[C@@H]1CN(Cc2c([O-])cccc2Cl)Cc2nn(CC3CC3)cc21 ZINC001140339159 1021445472 /nfs/dbraw/zinc/44/54/72/1021445472.db2.gz UFKLEKKBBIJZQR-HNNXBMFYSA-N -1 3 375.900 3.788 20 10 GHCDHM C[C@@H](NCc1nn(C)cc1Br)c1cc(Br)ccc1[O-] ZINC000834882995 1021609898 /nfs/dbraw/zinc/60/98/98/1021609898.db2.gz GAHQHMRZYMSVNQ-MRVPVSSYSA-N -1 3 389.091 3.502 20 10 GHCDHM O=C1[C@@H](NCc2cc(Cl)cc(Cl)c2[O-])CCN1c1c(F)cccc1F ZINC000756151153 1023538725 /nfs/dbraw/zinc/53/87/25/1023538725.db2.gz QPXUVWOFVWTBGZ-AWEZNQCLSA-N -1 3 387.213 3.872 20 10 GHCDHM [O-]c1c(F)cccc1CN1Cc2c(cnn2CC2CC2)[C@@H](COCC2CC2)C1 ZINC001138126874 1024171722 /nfs/dbraw/zinc/17/17/22/1024171722.db2.gz KVEMBKQEFINMHP-GOSISDBHSA-N -1 3 385.483 3.664 20 10 GHCDHM CC(C)(C)OC(=O)c1ccc(N2CCN(Cc3cccc(F)c3[O-])CC2)cc1 ZINC001138129563 1024179081 /nfs/dbraw/zinc/17/90/81/1024179081.db2.gz KKXVUWIJYCOUCU-UHFFFAOYSA-N -1 3 386.467 3.809 20 10 GHCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC001139130131 1025943737 /nfs/dbraw/zinc/94/37/37/1025943737.db2.gz RGVFUHAAWYPPFF-INIZCTEOSA-N -1 3 396.462 3.825 20 10 GHCDHM Cc1ccc(N2CCN(Cc3c([O-])ccc4c(C)cc(=O)oc43)CC2)c(C)c1 ZINC001139131994 1025944926 /nfs/dbraw/zinc/94/49/26/1025944926.db2.gz RNCNASJNGBFLMO-UHFFFAOYSA-N -1 3 378.472 3.746 20 10 GHCDHM Cc1ccc(N2C[C@]3(CCN(Cc4c(F)ccc(F)c4[O-])C3)CC2=O)s1 ZINC001139684800 1026538664 /nfs/dbraw/zinc/53/86/64/1026538664.db2.gz QIDBOVJZCGNKIM-LJQANCHMSA-N -1 3 378.444 3.669 20 10 GHCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CC2(C1)CCN(Cc1cccnc1)C2 ZINC001203575195 1027442926 /nfs/dbraw/zinc/44/29/26/1027442926.db2.gz FSHWUXDMSARDRL-UHFFFAOYSA-N -1 3 378.303 3.802 20 10 GHCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCc2ncnc(N3CCCC3)c2CC1 ZINC001203575352 1027445134 /nfs/dbraw/zinc/44/51/34/1027445134.db2.gz LGTPJTRHZLPBHH-UHFFFAOYSA-N -1 3 393.318 3.690 20 10 GHCDHM CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCCN2Cc1cc(Br)ccc1[O-] ZINC001203639720 1027497834 /nfs/dbraw/zinc/49/78/34/1027497834.db2.gz IRVLPVIBPOUTDT-LSDHHAIUSA-N -1 3 397.313 3.738 20 10 GHCDHM COc1c([O-])c(CN2CC3(CCOCC3)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000840963458 1027997299 /nfs/dbraw/zinc/99/72/99/1027997299.db2.gz NPWYLVTVTGBKRY-HXUWFJFHSA-N -1 3 384.432 3.663 20 10 GHCDHM Cc1ccc(I)cc1-c1noc(-c2cccc(O)c2[O-])n1 ZINC001215145672 1029059660 /nfs/dbraw/zinc/05/96/60/1029059660.db2.gz BIRYBPTWGSGGFQ-UHFFFAOYSA-N -1 3 394.168 3.728 20 10 GHCDHM O=C(Cc1coc2cc(O)ccc12)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001149601374 1030240838 /nfs/dbraw/zinc/24/08/38/1030240838.db2.gz KWTRDWKPGMHTGX-UHFFFAOYSA-N -1 3 382.803 3.905 20 10 GHCDHM Cc1cc(CNC(=O)c2cc(F)cc3n[n-]nc32)c(C)n1-c1cccc(C)c1 ZINC001151154098 1030785185 /nfs/dbraw/zinc/78/51/85/1030785185.db2.gz RPFNZJKQALJROR-UHFFFAOYSA-N -1 3 377.423 3.743 20 10 GHCDHM Nc1nc2ccccc2cc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001154289508 1032025357 /nfs/dbraw/zinc/02/53/57/1032025357.db2.gz RZNITTQLWNOKDR-UHFFFAOYSA-N -1 3 378.819 3.654 20 10 GHCDHM [O-]c1c(F)cc(Br)cc1CN1CC[C@@]2(C1)OCc1ccccc12 ZINC001205493233 1033438795 /nfs/dbraw/zinc/43/87/95/1033438795.db2.gz RSKMJDMKTTUISO-SFHVURJKSA-N -1 3 378.241 3.925 20 10 GHCDHM CNC(=O)c1nc(NCc2cc(Cl)c3cccnc3c2[O-])ccc1Cl ZINC001157726391 1033741246 /nfs/dbraw/zinc/74/12/46/1033741246.db2.gz OAXWTXJUXBZTBZ-UHFFFAOYSA-N -1 3 377.231 3.614 20 10 GHCDHM CCOC(=O)[C@@]1(NCc2ccc(Br)cc2[O-])CCc2ccccc21 ZINC001207045168 1034067569 /nfs/dbraw/zinc/06/75/69/1034067569.db2.gz TWKUFPVELPWSJP-LJQANCHMSA-N -1 3 390.277 3.649 20 10 GHCDHM C[N@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231452659 1034596310 /nfs/dbraw/zinc/59/63/10/1034596310.db2.gz QSECKMMMMDRKTD-UHFFFAOYSA-N -1 3 392.496 3.559 20 10 GHCDHM C[N@@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231452659 1034596316 /nfs/dbraw/zinc/59/63/16/1034596316.db2.gz QSECKMMMMDRKTD-UHFFFAOYSA-N -1 3 392.496 3.559 20 10 GHCDHM CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc(C(=O)[O-])ccc1O ZINC001231566006 1034715043 /nfs/dbraw/zinc/71/50/43/1034715043.db2.gz GZHYUDJJMBMBMJ-XKQJLSEDSA-N -1 3 375.465 3.565 20 10 GHCDHM CC[C@@H](C)N1CC[C@]2(CCCN2Cc2cc(C)cc(Br)c2[O-])C1=O ZINC001277541775 1034763641 /nfs/dbraw/zinc/76/36/41/1034763641.db2.gz ZIEVCVUPVBWVNK-AUUYWEPGSA-N -1 3 395.341 3.829 20 10 GHCDHM Cc1cc([O-])c(CN2CCO[C@]3(CCCN(c4cccnc4)C3)C2)cc1Cl ZINC001231867526 1034954295 /nfs/dbraw/zinc/95/42/95/1034954295.db2.gz LTTGLRHFYWELNJ-OAQYLSRUSA-N -1 3 387.911 3.620 20 10 GHCDHM CCOC(=O)c1sc2[n-]c(C(Cl)=CC3=S=CC=C3)nc(=O)c2c1C ZINC001248411034 1035827736 /nfs/dbraw/zinc/82/77/36/1035827736.db2.gz RSWNETGXMKGZOL-JXMROGBWSA-N -1 3 380.878 3.739 20 10 GHCDHM COc1cc([O-])c(CN2Cc3cccc(F)c3C2)cc1I ZINC001248469496 1035898100 /nfs/dbraw/zinc/89/81/00/1035898100.db2.gz NNJHSXLILSMUON-UHFFFAOYSA-N -1 3 399.203 3.660 20 10 GHCDHM COc1ccc(CN2CCC[C@@H](C)[C@@H]2C)c([O-])c1I ZINC001248489001 1035911183 /nfs/dbraw/zinc/91/11/83/1035911183.db2.gz CDUFXGXXDQANPW-MNOVXSKESA-N -1 3 375.250 3.626 20 10 GHCDHM Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NCc1ccc(Cl)cc1[O-] ZINC001462224826 1070098394 /nfs/dbraw/zinc/09/83/94/1070098394.db2.gz ZUOGIPAGNGWYNO-UHFFFAOYSA-N -1 3 382.913 3.995 20 10 GHCDHM COc1cc([O-])c(CN2CC(OCc3ccccc3)C2)cc1Br ZINC001233139672 1038919240 /nfs/dbraw/zinc/91/92/40/1038919240.db2.gz OHBXGKTVKPLWBP-UHFFFAOYSA-N -1 3 378.266 3.564 20 10 GHCDHM COc1cc([O-])c(CN2CCCC[C@@H]2c2noc(C)n2)cc1Br ZINC001233140768 1038919677 /nfs/dbraw/zinc/91/96/77/1038919677.db2.gz TYIFCQHXBDHJJU-CYBMUJFWSA-N -1 3 382.258 3.582 20 10 GHCDHM O=C1OC[C@@H](c2ccccc2)N1C1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233331895 1039132145 /nfs/dbraw/zinc/13/21/45/1039132145.db2.gz PDFMIODYCMSLRB-SFHVURJKSA-N -1 3 388.414 3.828 20 10 GHCDHM CCOc1ccc(N2CCN(Cc3ccc(OC)c([O-])c3Cl)CC2)cc1 ZINC001233401660 1039243661 /nfs/dbraw/zinc/24/36/61/1039243661.db2.gz JFRXBERQFCWCMZ-UHFFFAOYSA-N -1 3 376.884 3.775 20 10 GHCDHM COC(=O)[C@H]1[C@H](c2ccccc2)OCCN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233456131 1039348645 /nfs/dbraw/zinc/34/86/45/1039348645.db2.gz MIAINZRSBABVJL-MSOLQXFVSA-N -1 3 395.377 3.526 20 10 GHCDHM COc1ccc(N(C)CCN(C)Cc2cccc([O-])c2Br)cc1 ZINC001462398192 1070227044 /nfs/dbraw/zinc/22/70/44/1070227044.db2.gz CWXRIGJUJIMHBW-UHFFFAOYSA-N -1 3 379.298 3.732 20 10 GHCDHM [O-]c1ccc(-c2nnc([C@H]3C[C@@H]3c3ccccc3)o2)cc1CN1CCOCC1 ZINC001254705288 1040465222 /nfs/dbraw/zinc/46/52/22/1040465222.db2.gz DCWIYUQFXDEWLK-MOPGFXCFSA-N -1 3 377.444 3.546 20 10 GHCDHM [O-]c1c(CN2CCn3cc(Cn4cccn4)nc3C2)cccc1-c1ccccc1 ZINC001234989160 1040485740 /nfs/dbraw/zinc/48/57/40/1040485740.db2.gz UHHBZAQAUFGKNX-UHFFFAOYSA-N -1 3 385.471 3.516 20 10 GHCDHM [O-]c1c(F)cc(Br)cc1CN1CCC(O)(Cc2ccccc2)CC1 ZINC001235056796 1040545691 /nfs/dbraw/zinc/54/56/91/1040545691.db2.gz GOSHERJPJMEXKN-UHFFFAOYSA-N -1 3 394.284 3.863 20 10 GHCDHM [O-]c1c(Br)cc(F)cc1CN1CCc2ncnc(C3CC3)c2CC1 ZINC001235299310 1040772924 /nfs/dbraw/zinc/77/29/24/1040772924.db2.gz SCDBIWDLIKMXDT-UHFFFAOYSA-N -1 3 392.272 3.562 20 10 GHCDHM [O-]c1cc(F)cc(F)c1CN1CCN[C@H](c2cccc(Br)c2)C1 ZINC001235790595 1041283939 /nfs/dbraw/zinc/28/39/39/1041283939.db2.gz IAKPMHMUVOBCAD-INIZCTEOSA-N -1 3 383.236 3.579 20 10 GHCDHM O=C1CC[C@@H]2[C@@H](CCN2Cc2c([O-])ccc(Cl)c2Cl)N1CC(F)(F)F ZINC001277992822 1041800573 /nfs/dbraw/zinc/80/05/73/1041800573.db2.gz OSEZOYKRETYZKL-VXGBXAGGSA-N -1 3 397.224 3.827 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CC3(CCN3Cc3ccccc3)C2)c1 ZINC001236666764 1041813608 /nfs/dbraw/zinc/81/36/08/1041813608.db2.gz VRWIQDJLFZHMQE-UHFFFAOYSA-N -1 3 387.321 3.923 20 10 GHCDHM COc1cc([O-])c(CN2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)c(Cl)c1 ZINC001236799634 1041902211 /nfs/dbraw/zinc/90/22/11/1041902211.db2.gz UARUUPDXMYTCEQ-ZDUSSCGKSA-N -1 3 384.904 3.886 20 10 GHCDHM COc1ccc(CN2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)c([O-])c1Cl ZINC001236801286 1041903258 /nfs/dbraw/zinc/90/32/58/1041903258.db2.gz FJTXDVAKGCWIMK-UHFFFAOYSA-N -1 3 396.915 3.887 20 10 GHCDHM O=C1c2ccccc2CN1[C@H]1CCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236802874 1041905314 /nfs/dbraw/zinc/90/53/14/1041905314.db2.gz KICKJFIRSWYDGA-AWEZNQCLSA-N -1 3 377.271 3.929 20 10 GHCDHM COc1cc([O-])c(CN2CCOC[C@H]2c2ccc(F)cc2)c(Br)c1 ZINC001237068910 1042019102 /nfs/dbraw/zinc/01/91/02/1042019102.db2.gz VUNFDXOQXMIFFS-KRWDZBQOSA-N -1 3 396.256 3.876 20 10 GHCDHM COc1cnc(OC2CCN(Cc3c([O-])ccc(Cl)c3Cl)CC2)nc1 ZINC001237085855 1042029072 /nfs/dbraw/zinc/02/90/72/1042029072.db2.gz IVJJOKWIDZENGD-UHFFFAOYSA-N -1 3 384.263 3.541 20 10 GHCDHM CN(Cc1nc2ccccc2o1)Cc1cccc(I)c1[O-] ZINC001237784039 1042367197 /nfs/dbraw/zinc/36/71/97/1042367197.db2.gz QXZVPPSFNCLWGL-UHFFFAOYSA-N -1 3 394.212 3.770 20 10 GHCDHM [O-]c1c(Cl)cc(F)cc1CN1CCC2(C[C@@H](Oc3cccnc3)CO2)CC1 ZINC001237799218 1042376403 /nfs/dbraw/zinc/37/64/03/1042376403.db2.gz FRWQDXVYPGTAGL-QGZVFWFLSA-N -1 3 392.858 3.782 20 10 GHCDHM [O-]c1c(Cl)cc(F)cc1CN1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001237811680 1042381248 /nfs/dbraw/zinc/38/12/48/1042381248.db2.gz BTVPKZTXZPIIGC-OXQOHEQNSA-N -1 3 392.858 3.782 20 10 GHCDHM C[C@H](CNC(=O)c1cccc(O)c1[O-])Sc1ccc(Br)cc1 ZINC001293031483 1043993411 /nfs/dbraw/zinc/99/34/11/1043993411.db2.gz ZTOZZDLHNIIVGV-SNVBAGLBSA-N -1 3 382.279 3.771 20 10 GHCDHM O=C1[C@H](NCc2cc(F)cc(F)c2[O-])CCN1c1ccc(Cl)c(Cl)c1 ZINC001308639594 1050043561 /nfs/dbraw/zinc/04/35/61/1050043561.db2.gz CPAKORRZOOPLQX-OAHLLOKOSA-N -1 3 387.213 3.872 20 10 GHCDHM [O-]c1cc(Br)ccc1CN1CCO[C@H](CCc2ccccc2)C1 ZINC001308670976 1050054256 /nfs/dbraw/zinc/05/42/56/1050054256.db2.gz FFRQBIIRTQSDDD-GOSISDBHSA-N -1 3 376.294 3.988 20 10 GHCDHM CC[C@@H]1CCCN1c1nnc(-c2sc3ncccc3c2[O-])n1C[C@@H]1CCOC1 ZINC001345194211 1054934336 /nfs/dbraw/zinc/93/43/36/1054934336.db2.gz PFHLGMZGDHCWNA-UONOGXRCSA-N -1 3 399.520 3.676 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)c1[O-] ZINC001460457880 1068970269 /nfs/dbraw/zinc/97/02/69/1068970269.db2.gz LVDHYOFKCGYNTE-DYVFJYSZSA-N -1 3 394.487 3.859 20 10 GHCDHM COc1ccccc1[C@@H](CNC(=O)NCc1c([O-])cccc1F)OC(C)C ZINC001478484820 1078887484 /nfs/dbraw/zinc/88/74/84/1078887484.db2.gz YQJYVWSNHPIYJF-LJQANCHMSA-N -1 3 376.428 3.505 20 10 GHCDHM Cc1cc(CC[N-]S(=O)(=O)c2ccc(F)cc2F)c(C)n1-c1ccccc1 ZINC001475549581 1074911345 /nfs/dbraw/zinc/91/13/45/1074911345.db2.gz NCHYFGXIBIMEOR-UHFFFAOYSA-N -1 3 390.455 3.893 20 10 GHCDHM CCN(CC)c1ccc(CN(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821197358 607286892 /nfs/dbraw/zinc/28/68/92/607286892.db2.gz JKPUBGIJTWPMPA-UHFFFAOYSA-N -1 3 393.495 3.685 20 10 GHCDHM CCN(CC)c1ccc(CN(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821197358 607286893 /nfs/dbraw/zinc/28/68/93/607286893.db2.gz JKPUBGIJTWPMPA-UHFFFAOYSA-N -1 3 393.495 3.685 20 10 GHCDHM COc1ccc2[nH]cc(C3=CCN(c4ccc(-c5nn[n-]n5)cc4F)CC3)c2c1 ZINC000737113811 598239633 /nfs/dbraw/zinc/23/96/33/598239633.db2.gz GRERAXOFMGETRM-UHFFFAOYSA-N -1 3 390.422 3.789 20 10 GHCDHM Cc1cccc(C=C2SC(=S)N(c3ccccc3-c3nnn[n-]3)C2=O)c1C ZINC000737392107 598542185 /nfs/dbraw/zinc/54/21/85/598542185.db2.gz OFQVESHXWAXOQX-MHWRWJLKSA-N -1 3 393.497 3.889 20 10 GHCDHM Cc1cccc(C=C2SC(=S)N(c3ccccc3-c3nn[n-]n3)C2=O)c1C ZINC000737392107 598542187 /nfs/dbraw/zinc/54/21/87/598542187.db2.gz OFQVESHXWAXOQX-MHWRWJLKSA-N -1 3 393.497 3.889 20 10 GHCDHM Cc1cc(C(=O)N(C)Cc2ccsc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227617 598610297 /nfs/dbraw/zinc/61/02/97/598610297.db2.gz NYKQUQGSTHBZOG-UHFFFAOYSA-N -1 3 392.488 3.608 20 10 GHCDHM Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000738534351 600148282 /nfs/dbraw/zinc/14/82/82/600148282.db2.gz ZLXWMRZNIQFVEK-UHFFFAOYSA-N -1 3 382.460 3.782 20 10 GHCDHM Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000738534351 600148284 /nfs/dbraw/zinc/14/82/84/600148284.db2.gz ZLXWMRZNIQFVEK-UHFFFAOYSA-N -1 3 382.460 3.782 20 10 GHCDHM Cc1cc(C(=O)Nc2cc(C)cc(C)n2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826265506 607629229 /nfs/dbraw/zinc/62/92/29/607629229.db2.gz BSBHAODPQGYCEP-UHFFFAOYSA-N -1 3 387.447 3.538 20 10 GHCDHM Cc1ccc(N2C(=O)C(=Cc3cc(-c4nnn[n-]4)cs3)SC2=S)cc1C ZINC000822241380 606334738 /nfs/dbraw/zinc/33/47/38/606334738.db2.gz UFARQJSXFTUUOE-VGOFMYFVSA-N -1 3 399.526 3.951 20 10 GHCDHM Cc1ccc(N2C(=O)C(=Cc3cc(-c4nn[n-]n4)cs3)SC2=S)cc1C ZINC000822241380 606334740 /nfs/dbraw/zinc/33/47/40/606334740.db2.gz UFARQJSXFTUUOE-VGOFMYFVSA-N -1 3 399.526 3.951 20 10 GHCDHM C[C@H](c1ccccc1)N1C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)SC1=S ZINC000820570502 606335907 /nfs/dbraw/zinc/33/59/07/606335907.db2.gz KXKNWSZBJFAIDV-DOQDJBIESA-N -1 3 399.526 3.891 20 10 GHCDHM C[C@H](c1ccccc1)N1C(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)SC1=S ZINC000820570502 606335909 /nfs/dbraw/zinc/33/59/09/606335909.db2.gz KXKNWSZBJFAIDV-DOQDJBIESA-N -1 3 399.526 3.891 20 10 GHCDHM Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)SC1=S ZINC000822361867 606393776 /nfs/dbraw/zinc/39/37/76/606393776.db2.gz JNSFAKXRZRHSDJ-MDWZMJQESA-N -1 3 385.499 3.642 20 10 GHCDHM CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc([O-])ccc2Cl)cc1 ZINC000764459718 859455787 /nfs/dbraw/zinc/45/57/87/859455787.db2.gz JNXQSHFDFKSLSG-SFHVURJKSA-N -1 3 388.895 3.933 20 10 GHCDHM COC(=O)c1c(C)nc(Cl)nc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168528312 860840217 /nfs/dbraw/zinc/84/02/17/860840217.db2.gz SSLFOZJRLAAINO-UHFFFAOYSA-N -1 3 393.230 3.744 20 10 GHCDHM O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1cccc(O)c1[O-] ZINC000185672232 861160911 /nfs/dbraw/zinc/16/09/11/861160911.db2.gz YMQWKIHWPAYCGK-HHHXNRCGSA-N -1 3 381.453 3.799 20 10 GHCDHM O=[N+]([O-])c1ccc(Br)c2c1CN(Cc1cc(F)ccc1[O-])CC2 ZINC000793617916 882334708 /nfs/dbraw/zinc/33/47/08/882334708.db2.gz XZJPFPTYNMLEHB-UHFFFAOYSA-N -1 3 381.201 3.760 20 10 GHCDHM O=C(NC(=S)[N-]c1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 ZINC001195376090 872376933 /nfs/dbraw/zinc/37/69/33/872376933.db2.gz RGXIASVQFSWTDK-UHFFFAOYSA-N -1 3 386.432 3.589 20 10 GHCDHM CC1(c2ccc(C(=O)NCc3cc(Cl)c4cccnc4c3[O-])cc2)COC1 ZINC001196240146 872989823 /nfs/dbraw/zinc/98/98/23/872989823.db2.gz IINGKUSKUYSGND-UHFFFAOYSA-N -1 3 382.847 3.812 20 10 GHCDHM O=C(c1ccccc1OC(F)F)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000768235936 873184541 /nfs/dbraw/zinc/18/45/41/873184541.db2.gz FDUDUOZTWPXIEQ-UHFFFAOYSA-N -1 3 396.821 3.605 20 10 GHCDHM Cc1nc(N2CCN(Cc3cc(Br)ccc3[O-])CC2)sc1C ZINC000769497989 874104568 /nfs/dbraw/zinc/10/45/68/874104568.db2.gz IZDDJOZRFRGZBN-UHFFFAOYSA-N -1 3 382.327 3.550 20 10 GHCDHM COC(=O)CN(Cc1ccc(C(F)(F)F)cn1)Cc1cc(Cl)ccc1[O-] ZINC000769747965 874281283 /nfs/dbraw/zinc/28/12/83/874281283.db2.gz VDRMAESRUIQQHV-UHFFFAOYSA-N -1 3 388.773 3.635 20 10 GHCDHM Cc1cc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c(C)n1-c1ccc(Cl)cc1 ZINC000775914208 874698614 /nfs/dbraw/zinc/69/86/14/874698614.db2.gz QTZSJQWJDSSDQP-UHFFFAOYSA-N -1 3 397.788 3.814 20 10 GHCDHM C[C@@H](NCc1ccc(S(C)(=O)=O)s1)c1cccc(C(F)(F)F)c1[O-] ZINC000788761387 878298541 /nfs/dbraw/zinc/29/85/41/878298541.db2.gz ZGSPLZPPSJVHNB-SECBINFHSA-N -1 3 379.425 3.727 20 10 GHCDHM CC[C@@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])c1nnc2n1CCCCC2 ZINC000852627692 878478443 /nfs/dbraw/zinc/47/84/43/878478443.db2.gz HMCSRBUHGDZRGJ-MRXNPFEDSA-N -1 3 376.888 3.807 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H]2CCc3ccccc3-n3ccnc32)c1 ZINC000853240909 878925125 /nfs/dbraw/zinc/92/51/25/878925125.db2.gz JNFIDFBOJJLJGF-KBXCAEBGSA-N -1 3 377.444 3.703 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H]2CCc3ccccc3-n3ccnc32)c1 ZINC000853240913 878925463 /nfs/dbraw/zinc/92/54/63/878925463.db2.gz JNFIDFBOJJLJGF-KSSFIOAISA-N -1 3 377.444 3.703 20 10 GHCDHM CC[C@H](Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1)c1ccc(F)cc1[O-] ZINC000285897947 912491416 /nfs/dbraw/zinc/49/14/16/912491416.db2.gz BFUUITRWWKIGRG-UGSOOPFHSA-N -1 3 383.427 3.886 20 10 GHCDHM CC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(O)c3[O-])n2)c(F)c1 ZINC000790488683 879759877 /nfs/dbraw/zinc/75/98/77/879759877.db2.gz OXTFXRRAIOOPMT-UHFFFAOYSA-N -1 3 387.392 3.571 20 10 GHCDHM O=C(Nc1ccc(Cl)cn1)c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000790667445 879897480 /nfs/dbraw/zinc/89/74/80/879897480.db2.gz AUKUKKFHLXAUJZ-UHFFFAOYSA-N -1 3 383.791 3.651 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000791077462 880192554 /nfs/dbraw/zinc/19/25/54/880192554.db2.gz LXQUWVUZUJXXRE-CQSZACIVSA-N -1 3 391.265 3.577 20 10 GHCDHM Cc1ccc(C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)c3ccccc32)c([O-])c1O ZINC000855764232 880732255 /nfs/dbraw/zinc/73/22/55/880732255.db2.gz WLPORTJVEXVYNR-OAHLLOKOSA-N -1 3 383.444 3.882 20 10 GHCDHM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001299477725 912884436 /nfs/dbraw/zinc/88/44/36/912884436.db2.gz GLYBIEBGNAMYCY-AWEZNQCLSA-N -1 3 397.906 3.917 20 10 GHCDHM COC(=O)[C@H](NCc1ccc(Br)cc1[O-])c1ccc(C)c(C)c1 ZINC000825563435 886812220 /nfs/dbraw/zinc/81/22/20/886812220.db2.gz XHMSQLUWQZVCSV-QGZVFWFLSA-N -1 3 378.266 3.775 20 10 GHCDHM COC(=O)CN(Cc1nc2ccc(F)cc2s1)Cc1cc(Cl)ccc1[O-] ZINC000762994562 887513715 /nfs/dbraw/zinc/51/37/15/887513715.db2.gz GUHPJUUQUNHXRS-UHFFFAOYSA-N -1 3 394.855 3.970 20 10 GHCDHM COc1ccc(CN[C@H](C)c2cc(Br)c(F)cc2[O-])c(OC)n1 ZINC000810261669 888325772 /nfs/dbraw/zinc/32/57/72/888325772.db2.gz XQVHFVDLCPBJNL-SECBINFHSA-N -1 3 385.233 3.557 20 10 GHCDHM COc1cc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc(OC)c1[O-] ZINC000153997958 889016704 /nfs/dbraw/zinc/01/67/04/889016704.db2.gz LCRJBKPLBGPDFG-UHFFFAOYSA-N -1 3 384.476 3.576 20 10 GHCDHM C[C@@H](c1ccccc1)N(Cc1ccccc1O)Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000878325607 894195871 /nfs/dbraw/zinc/19/58/71/894195871.db2.gz LEMDFLKXPKUJFU-INIZCTEOSA-N -1 3 391.471 3.724 20 10 GHCDHM O=C(c1ccc(F)cc1F)N1CCN(Cc2ccc3ccccc3c2[O-])CC1 ZINC000816502785 894881729 /nfs/dbraw/zinc/88/17/29/894881729.db2.gz QFSAOAPHEMWWRT-UHFFFAOYSA-N -1 3 382.410 3.782 20 10 GHCDHM COC(=O)c1cnc([C@@H](C)N[C@@H](C)c2ccc(Br)cc2[O-])s1 ZINC000818357707 896144143 /nfs/dbraw/zinc/14/41/43/896144143.db2.gz IITKZBSOCBYECV-DTWKUNHWSA-N -1 3 385.283 3.810 20 10 GHCDHM COc1c([O-])c(CNc2cccc(CC(=O)OC(C)(C)C)c2)ccc1[N+](=O)[O-] ZINC000774935471 914103516 /nfs/dbraw/zinc/10/35/16/914103516.db2.gz OATXWKFTQQNYFT-UHFFFAOYSA-N -1 3 388.420 3.805 20 10 GHCDHM C[C@@H](NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)c1c([O-])cccc1F ZINC000886601637 901183711 /nfs/dbraw/zinc/18/37/11/901183711.db2.gz YGQMQPOWLFDNRA-SNVBAGLBSA-N -1 3 391.386 3.804 20 10 GHCDHM C[C@H](NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1c([O-])cccc1F ZINC000886607336 901187305 /nfs/dbraw/zinc/18/73/05/901187305.db2.gz PSNMZJMXJIIVIK-JTQLQIEISA-N -1 3 391.386 3.804 20 10 GHCDHM Cc1cc(Br)cc(C[NH2+]C[C@@](C)(C(=O)[O-])c2ccccc2)c1[O-] ZINC000844934982 901557533 /nfs/dbraw/zinc/55/75/33/901557533.db2.gz CLTOICIWFIKVTQ-GOSISDBHSA-N -1 3 378.266 3.595 20 10 GHCDHM O=C([C@@H]1CCCN(Cc2cc(Br)c(F)cc2[O-])C1)N1CCCCC1 ZINC001144300229 901626372 /nfs/dbraw/zinc/62/63/72/901626372.db2.gz YDVLWLYNIDVRDW-CYBMUJFWSA-N -1 3 399.304 3.518 20 10 GHCDHM [O-]c1cc(F)c(Br)cc1CN1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001144298808 901646428 /nfs/dbraw/zinc/64/64/28/901646428.db2.gz JNXYSQHVTUFWGJ-ZDUSSCGKSA-N -1 3 386.183 3.573 20 10 GHCDHM [O-]c1cc(F)c(Br)cc1CN1CCC(Oc2ccncc2)CC1 ZINC001144299027 901649400 /nfs/dbraw/zinc/64/94/00/901649400.db2.gz PBGODQWIZMTIIW-UHFFFAOYSA-N -1 3 381.245 3.732 20 10 GHCDHM CC(C)(C)OC(=O)C[C@H]1CCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144307893 901699560 /nfs/dbraw/zinc/69/95/60/901699560.db2.gz LBSGSZGKWMFKIN-LLVKDONJSA-N -1 3 388.277 3.848 20 10 GHCDHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cc1 ZINC000123905575 901995301 /nfs/dbraw/zinc/99/53/01/901995301.db2.gz QBTIVADHJCRNHG-UHFFFAOYSA-N -1 3 376.478 3.973 20 10 GHCDHM O=C(c1cc(Cl)cc(Cl)c1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000778996514 902625531 /nfs/dbraw/zinc/62/55/31/902625531.db2.gz TUXIDGVJVBOFQE-UHFFFAOYSA-N -1 3 383.250 3.796 20 10 GHCDHM O=C(Nc1ccccc1NC(=O)c1cccnc1Cl)c1cccc(O)c1[O-] ZINC001148213184 904007329 /nfs/dbraw/zinc/00/73/29/904007329.db2.gz ZSNNEPRDHFFDNA-UHFFFAOYSA-N -1 3 383.791 3.651 20 10 GHCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC(Cc2c(F)cccc2Cl)CC1 ZINC001148583797 904126383 /nfs/dbraw/zinc/12/63/83/904126383.db2.gz BQYZKOAJTJBCNY-UHFFFAOYSA-N -1 3 379.815 3.691 20 10 GHCDHM Cc1ccccc1NC(=O)c1ccccc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148586751 904127533 /nfs/dbraw/zinc/12/75/33/904127533.db2.gz WRKUYBCHBGPQBS-UHFFFAOYSA-N -1 3 378.384 3.616 20 10 GHCDHM O=C(Nc1ccc2c(c1)CN(Cc1ccccc1)C2)c1cc(O)c([O-])c(O)c1 ZINC001148587623 904127865 /nfs/dbraw/zinc/12/78/65/904127865.db2.gz JPHVFUFIDPHWNL-UHFFFAOYSA-N -1 3 376.412 3.572 20 10 GHCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001148587083 904127891 /nfs/dbraw/zinc/12/78/91/904127891.db2.gz CSFCTBRHSSIWKE-UHFFFAOYSA-N -1 3 397.349 3.722 20 10 GHCDHM CC(C)CCO[C@@H](CNC(=O)c1cc(O)c([O-])c(O)c1)c1ccc(Cl)cc1 ZINC001148590533 904130633 /nfs/dbraw/zinc/13/06/33/904130633.db2.gz MAXCWCCMNGMENE-SFHVURJKSA-N -1 3 393.867 3.991 20 10 GHCDHM CC1(C)COc2cnc(C(=O)NCc3cc(Cl)c4cccnc4c3[O-])cc21 ZINC001174974692 907296577 /nfs/dbraw/zinc/29/65/77/907296577.db2.gz JBCRCGQSRSYMLX-UHFFFAOYSA-N -1 3 383.835 3.589 20 10 GHCDHM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NCc1cc(F)cc(C(C)=O)c1[O-] ZINC001175183007 907423637 /nfs/dbraw/zinc/42/36/37/907423637.db2.gz FKIPKUYZVHMZDC-GOSISDBHSA-N -1 3 393.842 3.651 20 10 GHCDHM Cc1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c([O-])c1 ZINC000726625948 926771071 /nfs/dbraw/zinc/77/10/71/926771071.db2.gz QZBRZWKOJQNELA-UHFFFAOYSA-N -1 3 376.403 3.701 20 10 GHCDHM CCN(CC)C(=O)N1CCN(Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000726960474 926958290 /nfs/dbraw/zinc/95/82/90/926958290.db2.gz BBCNLNVZKIFEHW-UHFFFAOYSA-N -1 3 381.476 3.871 20 10 GHCDHM COc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1OCc1cccnc1 ZINC000751532614 928236613 /nfs/dbraw/zinc/23/66/13/928236613.db2.gz AMGXTAMPIUFJDL-UHFFFAOYSA-N -1 3 380.400 3.641 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCN([C@@H](C)c3cccnc3)CC2)c1 ZINC000781907040 931023181 /nfs/dbraw/zinc/02/31/81/931023181.db2.gz CJLWKRNQIJCMIQ-HNNXBMFYSA-N -1 3 390.325 3.737 20 10 GHCDHM C[C@@H](NC1(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])CCOCC1)c1ccccc1 ZINC001593210191 994243973 /nfs/dbraw/zinc/24/39/73/994243973.db2.gz NIOVNIMUCWODJR-SJORKVTESA-N -1 3 398.503 3.641 20 10 GHCDHM C[C@H]([NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593234392 994401424 /nfs/dbraw/zinc/40/14/24/994401424.db2.gz ZJJHUJRWCRUUJU-JSGCOSHPSA-N -1 3 392.402 3.621 20 10 GHCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1OC[C@@H]1COc2ccccc2O1 ZINC001227937180 1032704980 /nfs/dbraw/zinc/70/49/80/1032704980.db2.gz DMQIZVMOJOFERX-HNNXBMFYSA-N -1 3 378.380 3.548 20 10 GHCDHM CCOC[C@@H]1CN(Cc2ccc(Cl)cc2[O-])Cc2c1cnn2CC1CC1 ZINC001140466378 1021759228 /nfs/dbraw/zinc/75/92/28/1021759228.db2.gz CSFPXFUUUPMPDI-INIZCTEOSA-N -1 3 375.900 3.788 20 10 GHCDHM [O-]c1cc(F)cc(F)c1CN1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 ZINC001140581022 1022001936 /nfs/dbraw/zinc/00/19/36/1022001936.db2.gz OXGVWIOSCJJQGS-LJQANCHMSA-N -1 3 395.400 3.803 20 10 GHCDHM [O-]c1cc(F)cc(F)c1CN1CC(c2ncn3cc(Br)ccc23)C1 ZINC001140584581 1022008261 /nfs/dbraw/zinc/00/82/61/1022008261.db2.gz XOABVMBKUVPGEN-UHFFFAOYSA-N -1 3 394.219 3.680 20 10 GHCDHM O=S1(=O)CCN(Cc2cc3oc4ccccc4c3cc2[O-])[C@@H]2CCCC[C@@H]21 ZINC000754011625 1022421967 /nfs/dbraw/zinc/42/19/67/1022421967.db2.gz KPHCPRJRERQNRV-UTKZUKDTSA-N -1 3 385.485 3.833 20 10 GHCDHM O=S1(=O)CCN(Cc2c3c(ccc2[O-])oc2c3CCCC2)[C@@H]2CCCC[C@@H]21 ZINC000754012887 1022423888 /nfs/dbraw/zinc/42/38/88/1022423888.db2.gz LZFRSTNQIDZYRI-UZLBHIALSA-N -1 3 389.517 3.559 20 10 GHCDHM O=C(NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn21)c1cccc(O)c1[O-] ZINC001156683058 1033180607 /nfs/dbraw/zinc/18/06/07/1033180607.db2.gz JJJHWXXURNVAKA-UHFFFAOYSA-N -1 3 395.365 3.621 20 10 GHCDHM Cc1ccc2c(n1)N(Cc1cccnc1)CCN(Cc1cccc(F)c1[O-])C2 ZINC001138126455 1024171100 /nfs/dbraw/zinc/17/11/00/1024171100.db2.gz BGOMLXMUJBXSBU-UHFFFAOYSA-N -1 3 378.451 3.652 20 10 GHCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCN([C@H](C)c2ccccc2)CC1 ZINC001139129341 1025941364 /nfs/dbraw/zinc/94/13/64/1025941364.db2.gz WOSSTRXBWYRNRW-QGZVFWFLSA-N -1 3 378.472 3.686 20 10 GHCDHM [O-]c1cccc(Br)c1CN1CCc2c(cnn2-c2ccccc2)C1 ZINC001140100968 1026879455 /nfs/dbraw/zinc/87/94/55/1026879455.db2.gz GGUPBOHWBUFQDA-UHFFFAOYSA-N -1 3 384.277 3.899 20 10 GHCDHM [O-]c1c(Br)cc(Br)cc1CN1CC[C@H]2OCC[C@@H]2C1 ZINC001203568843 1027438385 /nfs/dbraw/zinc/43/83/85/1027438385.db2.gz XTCJNBUSLCRRJL-NOZJJQNGSA-N -1 3 391.103 3.528 20 10 GHCDHM NC(=O)c1ccc(O[C@@H]2CCCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)cc1 ZINC001203585312 1027452604 /nfs/dbraw/zinc/45/26/04/1027452604.db2.gz GOBLSJVTZAKZJS-MRXNPFEDSA-N -1 3 395.286 3.841 20 10 GHCDHM C[C@H]1CN(Cc2cc(Br)ccc2[O-])CCN1C(=O)OC(C)(C)C ZINC001203635831 1027494527 /nfs/dbraw/zinc/49/45/27/1027494527.db2.gz HMIPGFVREYBCPR-LBPRGKRZSA-N -1 3 385.302 3.596 20 10 GHCDHM CC(C)(C)OC(=O)NCC12CC(C1)CN2Cc1cc(Br)ccc1[O-] ZINC001203635832 1027494855 /nfs/dbraw/zinc/49/48/55/1027494855.db2.gz HPYVFNIBDRDJEC-UHFFFAOYSA-N -1 3 397.313 3.644 20 10 GHCDHM CC(C)(C)OC(=O)N1CC2(C1)CCCN2Cc1cc(Br)ccc1[O-] ZINC001203636346 1027496115 /nfs/dbraw/zinc/49/61/15/1027496115.db2.gz UUPIZJQTDOCDPS-UHFFFAOYSA-N -1 3 397.313 3.740 20 10 GHCDHM CCOC[C@@H]1CN(Cc2cc(Cl)ccc2[O-])Cc2ncn(CC3CC3)c21 ZINC001203655951 1027509325 /nfs/dbraw/zinc/50/93/25/1027509325.db2.gz GFHFDFNUYHSESB-INIZCTEOSA-N -1 3 375.900 3.788 20 10 GHCDHM Cc1cc([O-])c(CN(C)CCCOc2ccc(S(C)(=O)=O)cc2)c(Cl)c1 ZINC000840912732 1027947531 /nfs/dbraw/zinc/94/75/31/1027947531.db2.gz URXDLLYJNMTQRR-UHFFFAOYSA-N -1 3 397.924 3.658 20 10 GHCDHM COc1ccc(C(=O)CCC(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc1 ZINC001142745134 1029375158 /nfs/dbraw/zinc/37/51/58/1029375158.db2.gz ZIGLACCBBIPACY-UHFFFAOYSA-N -1 3 398.846 3.882 20 10 GHCDHM Cc1ccc(-c2noc(C3CC[NH+](Cc4ccc(C(=O)[O-])cc4[O-])CC3)n2)cc1 ZINC001231455294 1034598754 /nfs/dbraw/zinc/59/87/54/1034598754.db2.gz MQRZVUIWJBVROB-UHFFFAOYSA-N -1 3 393.443 3.828 20 10 GHCDHM COc1cc([O-])c(CN2CCN(CC3CC3)c3nc(C)ccc3C2)cc1Cl ZINC001232264050 1037984328 /nfs/dbraw/zinc/98/43/28/1037984328.db2.gz DNFOHVABSZOQOQ-UHFFFAOYSA-N -1 3 387.911 3.990 20 10 GHCDHM Cc1cc2ccccc2nc1N1CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232262951 1037984990 /nfs/dbraw/zinc/98/49/90/1037984990.db2.gz XEHWGGXWZOHPLR-UHFFFAOYSA-N -1 3 383.879 3.930 20 10 GHCDHM [O-]c1cc(I)ccc1CN1CCC[C@H](F)C(F)(F)C1 ZINC001232974031 1038745799 /nfs/dbraw/zinc/74/57/99/1038745799.db2.gz GJANLTBYRSDVHU-LBPRGKRZSA-N -1 3 385.167 3.566 20 10 GHCDHM [O-]c1cc(I)ccc1CN1CCC[C@H]1c1cccnc1 ZINC001232975005 1038746215 /nfs/dbraw/zinc/74/62/15/1038746215.db2.gz VVNOLALKFOZGEN-HNNXBMFYSA-N -1 3 380.229 3.729 20 10 GHCDHM CN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233333665 1039133689 /nfs/dbraw/zinc/13/36/89/1039133689.db2.gz DHIBRPIXXLAFFW-MRXNPFEDSA-N -1 3 386.442 3.651 20 10 GHCDHM Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3cccc(C(F)(F)F)c3[O-])O2)n1 ZINC001233416356 1039271840 /nfs/dbraw/zinc/27/18/40/1039271840.db2.gz FWHQZHZEHCOUOV-RBSFLKMASA-N -1 3 383.370 3.597 20 10 GHCDHM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])CC[C@H]1F ZINC001233418554 1039279102 /nfs/dbraw/zinc/27/91/02/1039279102.db2.gz LVAFGZBBIDZSKA-ZIAGYGMSSA-N -1 3 392.393 3.848 20 10 GHCDHM O=C(c1ccccc1)N1CCCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233419167 1039279799 /nfs/dbraw/zinc/27/97/99/1039279799.db2.gz LSXWPMMOFXPQDI-UHFFFAOYSA-N -1 3 378.394 3.759 20 10 GHCDHM CCC(=O)[C@@H](CC)Oc1c(C)cc2c(c1OC)C(=O)c1c([O-])cccc1C2=O ZINC001234133962 1039875276 /nfs/dbraw/zinc/87/52/76/1039875276.db2.gz UMNBGTMKFDGJMY-MRXNPFEDSA-N -1 3 382.412 3.621 20 10 GHCDHM CCCC(=O)[C@H](CCC)Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12 ZINC001234748874 1040274635 /nfs/dbraw/zinc/27/46/35/1040274635.db2.gz MUNGUGXXLKJLEW-INIZCTEOSA-N -1 3 386.400 3.980 20 10 GHCDHM CCCC(=O)[C@H](CCC)Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234748874 1040274650 /nfs/dbraw/zinc/27/46/50/1040274650.db2.gz MUNGUGXXLKJLEW-INIZCTEOSA-N -1 3 386.400 3.980 20 10 GHCDHM C[C@@H](COc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12)Oc1ccccc1 ZINC001234754573 1040284024 /nfs/dbraw/zinc/28/40/24/1040284024.db2.gz XJYZIYBMMAICNV-LBPRGKRZSA-N -1 3 394.379 3.909 20 10 GHCDHM [O-]c1c(F)cc(Br)cc1CN1CCC2(CC(F)(F)CO2)CC1 ZINC001235058448 1040548541 /nfs/dbraw/zinc/54/85/41/1040548541.db2.gz MMAVYCJOUBVQRD-UHFFFAOYSA-N -1 3 380.204 3.684 20 10 GHCDHM [O-]c1c(F)cc(Br)cc1CN1CCC(Oc2ccncc2)CC1 ZINC001235060061 1040549910 /nfs/dbraw/zinc/54/99/10/1040549910.db2.gz YSTMBKUWMULHKY-UHFFFAOYSA-N -1 3 381.245 3.732 20 10 GHCDHM CCc1noc([C@@H]2CCCN(Cc3cc(Br)cc(F)c3[O-])C2)n1 ZINC001235067524 1040558903 /nfs/dbraw/zinc/55/89/03/1040558903.db2.gz VJBUZXUQRBKCQF-SNVBAGLBSA-N -1 3 384.249 3.619 20 10 GHCDHM COc1cc(CN(C)Cc2cc(F)cc(Br)c2[O-])cc(OC)c1 ZINC001235301740 1040775021 /nfs/dbraw/zinc/77/50/21/1040775021.db2.gz HPQDDEZPTDYUMQ-UHFFFAOYSA-N -1 3 384.245 3.943 20 10 GHCDHM COC(=O)c1ccc2c(c1)CCN(Cc1cc(C)cc(Br)c1[O-])C2 ZINC001236662292 1041810253 /nfs/dbraw/zinc/81/02/53/1041810253.db2.gz BUJZRUASFAQBEE-UHFFFAOYSA-N -1 3 390.277 3.808 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CC[C@@H](C)[C@](O)(C(F)(F)F)C2)c1 ZINC001236663641 1041811164 /nfs/dbraw/zinc/81/11/64/1041811164.db2.gz OUNLHHDNPXNTHF-YGRLFVJLSA-N -1 3 382.220 3.598 20 10 GHCDHM [O-]c1ccc(F)c(Cl)c1CN1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC001237126060 1042053455 /nfs/dbraw/zinc/05/34/55/1042053455.db2.gz FEZXUTBKHSPLHI-UHFFFAOYSA-N -1 3 398.869 3.964 20 10 GHCDHM O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(Cc1c([O-])ccc(F)c1Cl)C2 ZINC001237125700 1042054062 /nfs/dbraw/zinc/05/40/62/1042054062.db2.gz UNGBHBZHLVXPNZ-WFASDCNBSA-N -1 3 392.833 3.670 20 10 GHCDHM O=C(c1ccco1)N1C[C@H]2CCCN(Cc3c([O-])ccc(F)c3Cl)[C@H]2C1 ZINC001237125996 1042054178 /nfs/dbraw/zinc/05/41/78/1042054178.db2.gz YBIKEWSFMNEGFR-DOMZBBRYSA-N -1 3 378.831 3.514 20 10 GHCDHM O=C(NC1CCN(Cc2c([O-])ccc(F)c2Cl)CC1)c1ccccc1F ZINC001237128603 1042055156 /nfs/dbraw/zinc/05/51/56/1042055156.db2.gz SDHPVIUEEXLTAN-UHFFFAOYSA-N -1 3 380.822 3.718 20 10 GHCDHM Cc1cc([O-])c(CN2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)cc1Br ZINC001237683597 1042323770 /nfs/dbraw/zinc/32/37/70/1042323770.db2.gz NYNBZSLJUMDWSC-QXAKKESOSA-N -1 3 396.325 3.622 20 10 GHCDHM Cc1cc([O-])c(CN(C)CC(=O)OCc2ccccc2)cc1Br ZINC001237686991 1042327645 /nfs/dbraw/zinc/32/76/45/1042327645.db2.gz YTBCXYSFUAELRW-UHFFFAOYSA-N -1 3 378.266 3.638 20 10 GHCDHM O=C1CCC2(CC1)CCN(Cc1cccc(I)c1[O-])CC2 ZINC001237782740 1042366750 /nfs/dbraw/zinc/36/67/50/1042366750.db2.gz HVAGEQAERHRUTQ-UHFFFAOYSA-N -1 3 399.272 3.722 20 10 GHCDHM Cc1ccc(O[C@H]2C[C@H]3CN(Cc4cc(F)cc(Cl)c4[O-])CCN3C2)cc1 ZINC001237812404 1042381331 /nfs/dbraw/zinc/38/13/31/1042381331.db2.gz FXEFQPKHEGFPQW-HKUYNNGSSA-N -1 3 390.886 3.831 20 10 GHCDHM Cc1ccc(CS(=O)(=O)[N-]c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 ZINC001259258249 1045048344 /nfs/dbraw/zinc/04/83/44/1045048344.db2.gz BPPHELIMMCGUII-UHFFFAOYSA-N -1 3 391.448 3.712 20 10 GHCDHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccc2c(c1)CCCN2C ZINC001462933284 1070671312 /nfs/dbraw/zinc/67/13/12/1070671312.db2.gz ZOYXWLQBIIJDAK-UHFFFAOYSA-N -1 3 388.464 3.741 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC001303878580 1047526591 /nfs/dbraw/zinc/52/65/91/1047526591.db2.gz NPBONJVYECSGQJ-UHFFFAOYSA-N -1 3 396.340 3.607 20 10 GHCDHM COc1cc([O-])c(CN2C[C@H]3CC[C@@H](C2)N3Cc2scnc2C)c(Cl)c1 ZINC001279665081 1047904783 /nfs/dbraw/zinc/90/47/83/1047904783.db2.gz FQYUZIJZCOWRGT-OKILXGFUSA-N -1 3 393.940 3.668 20 10 GHCDHM CCCCOc1ccc(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)c([O-])c1 ZINC001306860041 1048931546 /nfs/dbraw/zinc/93/15/46/1048931546.db2.gz WFPJQWSAMAOVKA-QGZVFWFLSA-N -1 3 398.503 3.836 20 10 GHCDHM COc1ncc(Br)cc1CNCc1cc(Cl)cc(F)c1[O-] ZINC001308466373 1049982533 /nfs/dbraw/zinc/98/25/33/1049982533.db2.gz JEFSRCHVFSADAP-UHFFFAOYSA-N -1 3 375.625 3.641 20 10 GHCDHM [O-]c1c(Br)cccc1CNCc1ncc(Br)cc1F ZINC001308742516 1050078400 /nfs/dbraw/zinc/07/84/00/1050078400.db2.gz SRFHHXIFEJBGCI-UHFFFAOYSA-N -1 3 390.050 3.741 20 10 GHCDHM CCc1cccc(CN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)c1O ZINC001308825796 1050110031 /nfs/dbraw/zinc/11/00/31/1050110031.db2.gz OOAJZFJHYJKVDC-INIZCTEOSA-N -1 3 378.394 3.564 20 10 GHCDHM C[C@@H](CNC(=O)NCc1c([O-])cccc1F)c1ccc(Br)cc1 ZINC001313357264 1053030173 /nfs/dbraw/zinc/03/01/73/1053030173.db2.gz ZTBRVKCCTYVFKG-NSHDSACASA-N -1 3 381.245 3.897 20 10 GHCDHM CCOC[C@@H]1CCCN(c2nnc(-c3sc4ncccc4c3[O-])n2CC)C1 ZINC001343557125 1053876755 /nfs/dbraw/zinc/87/67/55/1053876755.db2.gz IINGMFWFOYZIOM-CYBMUJFWSA-N -1 3 387.509 3.533 20 10 GHCDHM COCc1sccc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC001445883690 1059645033 /nfs/dbraw/zinc/64/50/33/1059645033.db2.gz NQDUSTSEVDXXRQ-HNNXBMFYSA-N -1 3 394.924 3.648 20 10 GHCDHM O=[N+]([O-])c1cnc2cc(Br)ccc2c1NCc1c([O-])cccc1F ZINC001458615129 1063905938 /nfs/dbraw/zinc/90/59/38/1063905938.db2.gz CSJJQFXSTXWCBT-UHFFFAOYSA-N -1 3 392.184 3.784 20 10 GHCDHM Cc1cc(C(=O)O[C@@H](C)c2cccnc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737238056 598845598 /nfs/dbraw/zinc/84/55/98/598845598.db2.gz HYPFXVJIOJLYKG-HNNXBMFYSA-N -1 3 388.431 3.587 20 10 GHCDHM CC1CCN(c2ccc(CNc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])cc2)CC1 ZINC000736281270 598503043 /nfs/dbraw/zinc/50/30/43/598503043.db2.gz UPWQNCCSTKIIJZ-UHFFFAOYSA-N -1 3 393.451 3.623 20 10 GHCDHM CC1CCN(c2ccc(CNc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])cc2)CC1 ZINC000736281270 598503044 /nfs/dbraw/zinc/50/30/44/598503044.db2.gz UPWQNCCSTKIIJZ-UHFFFAOYSA-N -1 3 393.451 3.623 20 10 GHCDHM Cc1cc(C(=O)N2CCC[C@@H]2C2CCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233306 598612074 /nfs/dbraw/zinc/61/20/74/598612074.db2.gz DLAPPUXIMCJPPO-HXUWFJFHSA-N -1 3 390.491 3.679 20 10 GHCDHM COc1ccc(N2CCC(Nc3cc(Cl)ccc3-c3nnn[n-]3)CC2)cc1 ZINC000737098016 599424832 /nfs/dbraw/zinc/42/48/32/599424832.db2.gz AZNVATDKIMXBDQ-UHFFFAOYSA-N -1 3 384.871 3.610 20 10 GHCDHM COc1ccc(N2CCC(Nc3cc(Cl)ccc3-c3nn[n-]n3)CC2)cc1 ZINC000737098016 599424834 /nfs/dbraw/zinc/42/48/34/599424834.db2.gz AZNVATDKIMXBDQ-UHFFFAOYSA-N -1 3 384.871 3.610 20 10 GHCDHM Cc1cncc(C=CC(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)c1 ZINC000822400040 607394237 /nfs/dbraw/zinc/39/42/37/607394237.db2.gz UKSXHRZFEKWLJD-VAWYXSNFSA-N -1 3 396.454 3.817 20 10 GHCDHM Cc1cncc(C=CC(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)c1 ZINC000822400040 607394239 /nfs/dbraw/zinc/39/42/39/607394239.db2.gz UKSXHRZFEKWLJD-VAWYXSNFSA-N -1 3 396.454 3.817 20 10 GHCDHM C[C@H](c1ccccc1)N1C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)SC1=S ZINC000820570504 606335739 /nfs/dbraw/zinc/33/57/39/606335739.db2.gz KXKNWSZBJFAIDV-WWNSAXIVSA-N -1 3 399.526 3.891 20 10 GHCDHM C[C@H](c1ccccc1)N1C(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)SC1=S ZINC000820570504 606335741 /nfs/dbraw/zinc/33/57/41/606335741.db2.gz KXKNWSZBJFAIDV-WWNSAXIVSA-N -1 3 399.526 3.891 20 10 GHCDHM C[C@H](Sc1ncc(C(C)(C)C)s1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820555125 607120042 /nfs/dbraw/zinc/12/00/42/607120042.db2.gz GWJCTGITTVFPED-JTQLQIEISA-N -1 3 388.522 3.740 20 10 GHCDHM C[C@H](Sc1ncc(C(C)(C)C)s1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820555125 607120045 /nfs/dbraw/zinc/12/00/45/607120045.db2.gz GWJCTGITTVFPED-JTQLQIEISA-N -1 3 388.522 3.740 20 10 GHCDHM C[C@@H](Sc1ncc(C(C)(C)C)s1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820557420 607120940 /nfs/dbraw/zinc/12/09/40/607120940.db2.gz ZCJTZXHABWODLC-SNVBAGLBSA-N -1 3 388.522 3.740 20 10 GHCDHM C[C@@H](Sc1ncc(C(C)(C)C)s1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820557420 607120941 /nfs/dbraw/zinc/12/09/41/607120941.db2.gz ZCJTZXHABWODLC-SNVBAGLBSA-N -1 3 388.522 3.740 20 10 GHCDHM Cc1ccc(F)cc1C=C1SC(=S)N(c2ccccc2-c2nnn[n-]2)C1=O ZINC000826289698 609302561 /nfs/dbraw/zinc/30/25/61/609302561.db2.gz JSIWRHNKLZIGSP-DHDCSXOGSA-N -1 3 397.460 3.720 20 10 GHCDHM Cc1ccc(F)cc1C=C1SC(=S)N(c2ccccc2-c2nn[n-]n2)C1=O ZINC000826289698 609302563 /nfs/dbraw/zinc/30/25/63/609302563.db2.gz JSIWRHNKLZIGSP-DHDCSXOGSA-N -1 3 397.460 3.720 20 10 GHCDHM CSc1ccccc1NC(=O)CN(C)Cc1cccc(Br)c1[O-] ZINC000179626382 835909381 /nfs/dbraw/zinc/90/93/81/835909381.db2.gz QHGJBEVAHCEIMD-UHFFFAOYSA-N -1 3 395.322 3.947 20 10 GHCDHM CN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cc(O)cc(Br)c1[O-] ZINC000124737287 841020586 /nfs/dbraw/zinc/02/05/86/841020586.db2.gz ZCKVQBUKSGXTQI-AWEZNQCLSA-N -1 3 383.629 3.710 20 10 GHCDHM CC(C)(C)OC(=O)NC(C)(C)c1cc(CNCc2c([O-])cccc2F)on1 ZINC000896637725 861347925 /nfs/dbraw/zinc/34/79/25/861347925.db2.gz LKFPGGKHXIRRRA-UHFFFAOYSA-N -1 3 379.432 3.569 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cc(C(=O)N3CCCC3)ccc2OC)c1 ZINC000273452055 847342092 /nfs/dbraw/zinc/34/20/92/847342092.db2.gz OUWDJULPMSZJAU-CQSZACIVSA-N -1 3 398.459 3.597 20 10 GHCDHM CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cncc([O-])c3)c2C)cc1 ZINC000732393948 862257993 /nfs/dbraw/zinc/25/79/93/862257993.db2.gz FGOQYQMUIPLOAA-UHFFFAOYSA-N -1 3 394.427 3.633 20 10 GHCDHM CC(C)(C)C(=O)N1CCN(Cc2cc(Br)ccc2[O-])C(C)(C)C1 ZINC000761214208 859327465 /nfs/dbraw/zinc/32/74/65/859327465.db2.gz ACJZYTLKCYOFQS-UHFFFAOYSA-N -1 3 383.330 3.624 20 10 GHCDHM CCOC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c([O-])c1 ZINC000740927807 866112585 /nfs/dbraw/zinc/11/25/85/866112585.db2.gz RNBZPEXECFLZST-UHFFFAOYSA-N -1 3 379.416 3.624 20 10 GHCDHM Cc1ccc(S(=O)(=O)NCc2cc(Cl)c3cccnc3c2[O-])c(F)c1 ZINC001196397899 873073803 /nfs/dbraw/zinc/07/38/03/873073803.db2.gz YHBONKHZZXAOII-UHFFFAOYSA-N -1 3 380.828 3.520 20 10 GHCDHM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)ccc1O ZINC001196487876 873132367 /nfs/dbraw/zinc/13/23/67/873132367.db2.gz JCTOSEUNZBWKIC-UHFFFAOYSA-N -1 3 378.450 3.848 20 10 GHCDHM C[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000769425965 874045669 /nfs/dbraw/zinc/04/56/69/874045669.db2.gz RUSLLSYCXZABCP-FZMZJTMJSA-N -1 3 399.875 3.689 20 10 GHCDHM CC(C)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(Cl)cc1 ZINC000769637687 874180462 /nfs/dbraw/zinc/18/04/62/874180462.db2.gz SSNBXAFOWTZHHF-KRWDZBQOSA-N -1 3 396.896 3.544 20 10 GHCDHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000770378091 874618590 /nfs/dbraw/zinc/61/85/90/874618590.db2.gz GRVMBTIQEJBFIZ-BXUZGUMPSA-N -1 3 399.875 3.831 20 10 GHCDHM [O-]c1c(Br)cc(Br)cc1CNCc1ccc(F)cn1 ZINC000776251339 876031513 /nfs/dbraw/zinc/03/15/13/876031513.db2.gz BINQPRSRZHTAFV-UHFFFAOYSA-N -1 3 390.050 3.741 20 10 GHCDHM COc1cc(C(=O)N(C)C)ccc1NCc1cc(C)cc(Br)c1[O-] ZINC000787796065 877625734 /nfs/dbraw/zinc/62/57/34/877625734.db2.gz ODWUHVHTGBDTQC-UHFFFAOYSA-N -1 3 393.281 3.786 20 10 GHCDHM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3ccc(O)cc3C)cc2c1C ZINC000788746419 878318457 /nfs/dbraw/zinc/31/84/57/878318457.db2.gz FJMXBIAOOUAHHG-UHFFFAOYSA-N -1 3 389.429 3.733 20 10 GHCDHM Cc1cc(C)c(N2CC[C@H](N[C@H](C)c3cc([N+](=O)[O-])ccc3[O-])C2=O)c(C)c1 ZINC000788986076 878495188 /nfs/dbraw/zinc/49/51/88/878495188.db2.gz ZEPCJDFHRMRWGI-QAPCUYQASA-N -1 3 383.448 3.682 20 10 GHCDHM O=C(Nc1nnc(-c2cccc(Br)c2)s1)c1cccc(O)c1[O-] ZINC000790687842 879925933 /nfs/dbraw/zinc/92/59/33/879925933.db2.gz VKHKOCWSAILWHB-UHFFFAOYSA-N -1 3 392.234 3.631 20 10 GHCDHM O=C(N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1cccc(O)c1[O-] ZINC000790919424 880062621 /nfs/dbraw/zinc/06/26/21/880062621.db2.gz XDGRZMVOCPERLA-ZDUSSCGKSA-N -1 3 377.265 3.733 20 10 GHCDHM CC(C)(C)n1ncc(NCc2cc(Br)ccc2[O-])c(Cl)c1=O ZINC000804826625 883388249 /nfs/dbraw/zinc/38/82/49/883388249.db2.gz COJBUBMDHOSOIN-UHFFFAOYSA-N -1 3 386.677 3.732 20 10 GHCDHM Cc1cc(=O)[n-]c(CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)n1 ZINC000761863959 884898727 /nfs/dbraw/zinc/89/87/27/884898727.db2.gz LLFRMGRNBYDIQO-MRXNPFEDSA-N -1 3 382.489 3.825 20 10 GHCDHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(NS(=O)(=O)CC)cc2)cc1 ZINC000121842208 885213240 /nfs/dbraw/zinc/21/32/40/885213240.db2.gz TZRDMAUVOKHXMR-CQSZACIVSA-N -1 3 396.534 3.763 20 10 GHCDHM C[C@@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1cc(Cl)ccc1[O-] ZINC000794827712 888243128 /nfs/dbraw/zinc/24/31/28/888243128.db2.gz HQMOAMNUSNJLDT-RFAUZJTJSA-N -1 3 383.673 3.685 20 10 GHCDHM O=C(Nc1ccccc1)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000120816007 888656498 /nfs/dbraw/zinc/65/64/98/888656498.db2.gz KCYPGMBTAHWSKH-UHFFFAOYSA-N -1 3 389.839 3.805 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2nc(C(F)(F)F)n3c2CCCC3)c1 ZINC000866559017 888932546 /nfs/dbraw/zinc/93/25/46/888932546.db2.gz ASIWLBNJAZMTTI-LLVKDONJSA-N -1 3 397.397 3.581 20 10 GHCDHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)cc1C ZINC000811705365 889879759 /nfs/dbraw/zinc/87/97/59/889879759.db2.gz MFQPJDFSSPFWQK-UHFFFAOYSA-N -1 3 379.478 3.743 20 10 GHCDHM CON(C)C(=O)Cc1ccc(NCc2cc(Cl)c3cccnc3c2[O-])cc1 ZINC001168522006 890311010 /nfs/dbraw/zinc/31/10/10/890311010.db2.gz NGUHQOTUJAVXTO-UHFFFAOYSA-N -1 3 385.851 3.768 20 10 GHCDHM CC(=O)Nc1cc2c(cc1NCc1cc(Cl)c3cccnc3c1[O-])OCO2 ZINC001168522362 890360714 /nfs/dbraw/zinc/36/07/14/890360714.db2.gz PSRIMJJYDBIVHU-UHFFFAOYSA-N -1 3 385.807 3.893 20 10 GHCDHM COc1c([O-])c(CN2CCC[C@H]2c2nc3ccccc3n2C)ccc1[N+](=O)[O-] ZINC000774845577 913740949 /nfs/dbraw/zinc/74/09/49/913740949.db2.gz IXXAVGHIPXRUJW-KRWDZBQOSA-N -1 3 382.420 3.533 20 10 GHCDHM C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1cccc(O)c1[O-] ZINC000816817753 895108483 /nfs/dbraw/zinc/10/84/83/895108483.db2.gz JQMDLLJVLPJIKC-BDJLRTHQSA-N -1 3 381.350 3.719 20 10 GHCDHM O=S(=O)(c1ccc(NCc2c([O-])cccc2Cl)cc1)N1CCCCC1 ZINC000584655542 895309336 /nfs/dbraw/zinc/30/93/36/895309336.db2.gz GPJMJNHJZHBJJE-UHFFFAOYSA-N -1 3 380.897 3.832 20 10 GHCDHM COc1ccc(N2CC[C@H](CNC(=O)c3cc4sccc4c([O-])c3)C2)cc1 ZINC000819588637 896838935 /nfs/dbraw/zinc/83/89/35/896838935.db2.gz NJKXKJZLHCYGHW-CQSZACIVSA-N -1 3 382.485 3.872 20 10 GHCDHM O=C(NCc1cccc(F)c1)Nc1ccc([O-])c2c1C(=O)c1ccccc1C2=O ZINC001185826071 914105940 /nfs/dbraw/zinc/10/59/40/914105940.db2.gz IVYJRNWBMJCYTA-UHFFFAOYSA-N -1 3 390.370 3.628 20 10 GHCDHM Brc1ccc(NCCCSc2nccs2)c(-c2nnn[n-]2)c1 ZINC000823832474 899271142 /nfs/dbraw/zinc/27/11/42/899271142.db2.gz PEKYSZKXCFCXMF-UHFFFAOYSA-N -1 3 397.327 3.680 20 10 GHCDHM Brc1ccc(NCCCSc2nccs2)c(-c2nn[n-]n2)c1 ZINC000823832474 899271155 /nfs/dbraw/zinc/27/11/55/899271155.db2.gz PEKYSZKXCFCXMF-UHFFFAOYSA-N -1 3 397.327 3.680 20 10 GHCDHM CC(C)(C)OC(=O)C[C@@H]1CCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144307894 901699677 /nfs/dbraw/zinc/69/96/77/901699677.db2.gz LBSGSZGKWMFKIN-NSHDSACASA-N -1 3 388.277 3.848 20 10 GHCDHM Cc1[nH]c2ncccc2c1CC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001182619181 911929799 /nfs/dbraw/zinc/92/97/99/911929799.db2.gz YJODXUFCPAJPDS-UHFFFAOYSA-N -1 3 380.835 3.637 20 10 GHCDHM O=C(CCC(=O)OC1CCCCC1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001182905717 912134009 /nfs/dbraw/zinc/13/40/09/912134009.db2.gz CTUQMYLUBDZKHH-UHFFFAOYSA-N -1 3 390.867 3.866 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2ccc(Br)cc2)CC1 ZINC000800582414 920290804 /nfs/dbraw/zinc/29/08/04/920290804.db2.gz YASAKPBVZMSFJL-UHFFFAOYSA-N -1 3 376.250 3.880 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c1 ZINC000726796773 926857968 /nfs/dbraw/zinc/85/79/68/926857968.db2.gz DGDZILQAWHMZSC-IBGZPJMESA-N -1 3 378.384 3.539 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cccc(C(=O)N3CCCC3)c2C)c1 ZINC000757602113 929740261 /nfs/dbraw/zinc/74/02/61/929740261.db2.gz AYQGUZVOPYCAJC-OAHLLOKOSA-N -1 3 382.460 3.896 20 10 GHCDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1Br ZINC000759679243 930449732 /nfs/dbraw/zinc/44/97/32/930449732.db2.gz FKIRENBWSDOYDM-UHFFFAOYSA-N -1 3 386.267 3.663 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000781907703 931021953 /nfs/dbraw/zinc/02/19/53/931021953.db2.gz IGGVNSPILYLJBG-CQSZACIVSA-N -1 3 382.220 3.598 20 10 GHCDHM CCN(CC)c1ccc(CN(C)C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc1 ZINC000929537623 933493734 /nfs/dbraw/zinc/49/37/34/933493734.db2.gz QLZNCSLAQLBMHG-UHFFFAOYSA-N -1 3 399.441 3.925 20 10 GHCDHM CN(C)c1ccc(/C=C\CN(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1 ZINC001598314245 991294904 /nfs/dbraw/zinc/29/49/04/991294904.db2.gz JXEUECVLAQJLCK-HMECNJMJSA-N -1 3 378.394 3.941 20 10 GHCDHM C[C@@H]([NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593298370 994713498 /nfs/dbraw/zinc/71/34/98/994713498.db2.gz IZXYVKROZVDOKK-CQSZACIVSA-N -1 3 391.427 3.589 20 10 GHCDHM Cc1c([C@H](C)NC(=O)NCc2c([O-])cccc2F)cnn1-c1ccc(F)cc1 ZINC001221596767 1032475162 /nfs/dbraw/zinc/47/51/62/1032475162.db2.gz WGIQWWGIJFFLPX-LBPRGKRZSA-N -1 3 386.402 3.725 20 10 GHCDHM CCOCc1nn(CC2CC2)c2c1CN(Cc1c([O-])cccc1Cl)CC2 ZINC001140338361 1021445268 /nfs/dbraw/zinc/44/52/68/1021445268.db2.gz GTTJYZMUHSSCMU-UHFFFAOYSA-N -1 3 375.900 3.747 20 10 GHCDHM Cc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(OC[C@@H]2CCOC2)c1 ZINC000756648749 1023753727 /nfs/dbraw/zinc/75/37/27/1023753727.db2.gz ZJJQEAMSRVFSKN-HZPDHXFCSA-N -1 3 386.448 3.875 20 10 GHCDHM COc1ccccc1[C@@H](CO)N[C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756713102 1023784763 /nfs/dbraw/zinc/78/47/63/1023784763.db2.gz TYSLKGSDODDXLD-ZUZCIYMTSA-N -1 3 384.245 3.687 20 10 GHCDHM C[C@H]([NH2+]Cc1nnc(-c2ccccc2)[n-]1)c1cc(Br)cc(F)c1[O-] ZINC000756867114 1023840420 /nfs/dbraw/zinc/84/04/20/1023840420.db2.gz FYVHVBBLJLPZJJ-JTQLQIEISA-N -1 3 391.244 3.930 20 10 GHCDHM CCN1CCN(c2cccc(NC(=O)c3ccc4oc(=S)[n-]c4c3)c2)CC1 ZINC000832344961 1025460832 /nfs/dbraw/zinc/46/08/32/1025460832.db2.gz CTODBNUBAUTDLY-UHFFFAOYSA-N -1 3 382.489 3.511 20 10 GHCDHM [O-]c1ccc(F)cc1CN1Cc2ncn(CC3CC3)c2[C@@H](COCC2CC2)C1 ZINC001140062634 1026842017 /nfs/dbraw/zinc/84/20/17/1026842017.db2.gz CDHOIYMUQJNESC-GOSISDBHSA-N -1 3 385.483 3.664 20 10 GHCDHM [O-]c1c(Cl)cc(Cl)cc1CN1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001203575017 1027443836 /nfs/dbraw/zinc/44/38/36/1027443836.db2.gz BDNDEJQULHUKAS-KUHUBIRLSA-N -1 3 395.286 3.621 20 10 GHCDHM C[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(Br)ccc1[O-] ZINC001203639355 1027497662 /nfs/dbraw/zinc/49/76/62/1027497662.db2.gz BVEXKLWBEVVTLN-LBPRGKRZSA-N -1 3 385.302 3.596 20 10 GHCDHM CCOC[C@@H]1CN(Cc2cc(Br)ccc2[O-])Cc2cn(CC)nc21 ZINC001203643275 1027501231 /nfs/dbraw/zinc/50/12/31/1027501231.db2.gz NHTDKTWHXRPSCJ-HNNXBMFYSA-N -1 3 394.313 3.507 20 10 GHCDHM [O-]c1ccc(Br)cc1CN1CCc2nn(-c3ccccc3)cc2C1 ZINC001203650474 1027507890 /nfs/dbraw/zinc/50/78/90/1027507890.db2.gz UXRBUNYGDKSAHN-UHFFFAOYSA-N -1 3 384.277 3.899 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc(N2CCc3sccc3C2)nc1 ZINC001214609683 1028817402 /nfs/dbraw/zinc/81/74/02/1028817402.db2.gz CXTIRKIZBLPNKF-UHFFFAOYSA-N -1 3 398.463 3.872 20 10 GHCDHM O=C([O-])[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000841795188 1028942194 /nfs/dbraw/zinc/94/21/94/1028942194.db2.gz IBIIDGDSJXFBJF-IBGZPJMESA-N -1 3 387.411 3.640 20 10 GHCDHM CCc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1[O-] ZINC001142713629 1029314392 /nfs/dbraw/zinc/31/43/92/1029314392.db2.gz XIAFNQGAMVCASK-FQEVSTJZSA-N -1 3 382.504 3.842 20 10 GHCDHM CC(C)(C)c1ccnc(-c2noc(-c3ccc([O-])c(CN4CCOCC4)c3)n2)c1 ZINC001217056141 1030128864 /nfs/dbraw/zinc/12/88/64/1030128864.db2.gz FLOFVYQCXXCDFG-UHFFFAOYSA-N -1 3 394.475 3.634 20 10 GHCDHM Cc1nc2c(C)cccn2c1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001151223803 1030814280 /nfs/dbraw/zinc/81/42/80/1030814280.db2.gz DVJHEXGRSLCRLR-UHFFFAOYSA-N -1 3 380.835 3.788 20 10 GHCDHM O=C1N(CCC(F)(F)F)CC[C@@]12CCCN2Cc1cc(F)c(Cl)cc1[O-] ZINC001276967645 1030979457 /nfs/dbraw/zinc/97/94/57/1030979457.db2.gz RRTHSAHGYHTUGA-INIZCTEOSA-N -1 3 394.796 3.704 20 10 GHCDHM Cc1nc(Cl)nc(NCc2cc(Cl)c3cccnc3c2[O-])c1[N+](=O)[O-] ZINC001157724391 1033740568 /nfs/dbraw/zinc/74/05/68/1033740568.db2.gz NRNUXCKQKYEATO-UHFFFAOYSA-N -1 3 380.191 3.866 20 10 GHCDHM CC(C)CN1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])CC[C@@H]21 ZINC001231450252 1034595194 /nfs/dbraw/zinc/59/51/94/1034595194.db2.gz CJJKAAFSLPOZMJ-FPOVZHCZSA-N -1 3 380.488 3.925 20 10 GHCDHM CC(C)CN1c2ccccc2[C@@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])CC[C@@H]21 ZINC001231450252 1034595198 /nfs/dbraw/zinc/59/51/98/1034595198.db2.gz CJJKAAFSLPOZMJ-FPOVZHCZSA-N -1 3 380.488 3.925 20 10 GHCDHM CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231454496 1034599109 /nfs/dbraw/zinc/59/91/09/1034599109.db2.gz QUXQMVKKCURNJH-UHFFFAOYSA-N -1 3 398.459 3.996 20 10 GHCDHM CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231454496 1034599117 /nfs/dbraw/zinc/59/91/17/1034599117.db2.gz QUXQMVKKCURNJH-UHFFFAOYSA-N -1 3 398.459 3.996 20 10 GHCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2C[C@H]3c4ccccc4[C@H](OCC4CC4)[C@H]3C2)c1 ZINC001231564850 1034715568 /nfs/dbraw/zinc/71/55/68/1034715568.db2.gz ZWMDYKUORKRMKR-ONTIZHBOSA-N -1 3 379.456 3.787 20 10 GHCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2C[C@H]3c4ccccc4[C@H](OCC4CC4)[C@H]3C2)c1 ZINC001231564850 1034715580 /nfs/dbraw/zinc/71/55/80/1034715580.db2.gz ZWMDYKUORKRMKR-ONTIZHBOSA-N -1 3 379.456 3.787 20 10 GHCDHM Cc1cc([O-])c(CN2CCO[C@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)cc1Cl ZINC001231869360 1034956035 /nfs/dbraw/zinc/95/60/35/1034956035.db2.gz MQMYRQSBMLNYSX-YTQUADARSA-N -1 3 392.858 3.699 20 10 GHCDHM C[C@H]1CN(Cc2ccc(Br)cc2[O-])C[C@H](C)N1C(=O)OC(C)(C)C ZINC001461987053 1069930150 /nfs/dbraw/zinc/93/01/50/1069930150.db2.gz OFIKHWPMMYZGBG-STQMWFEESA-N -1 3 399.329 3.984 20 10 GHCDHM COc1cc([O-])c(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1Cl ZINC001232267654 1037990443 /nfs/dbraw/zinc/99/04/43/1037990443.db2.gz DLFRRJMRPRTURJ-UHFFFAOYSA-N -1 3 395.286 3.666 20 10 GHCDHM [O-]c1cc(I)ccc1CN1CCC(C(F)(F)F)CC1 ZINC001232975346 1038746022 /nfs/dbraw/zinc/74/60/22/1038746022.db2.gz BHVPMQWCRNSOFU-UHFFFAOYSA-N -1 3 385.167 3.771 20 10 GHCDHM CN(Cc1ccc(I)cc1[O-])Cc1cccc(F)c1F ZINC001232978104 1038746967 /nfs/dbraw/zinc/74/69/67/1038746967.db2.gz YFRJHYRKYMISLA-UHFFFAOYSA-N -1 3 389.183 3.907 20 10 GHCDHM [O-]c1cc(I)ccc1CN1CCCC[C@H]1C(F)(F)F ZINC001232979016 1038747532 /nfs/dbraw/zinc/74/75/32/1038747532.db2.gz QMYHPJXMTXNDTN-LBPRGKRZSA-N -1 3 385.167 3.914 20 10 GHCDHM CN(CCCNC(=O)OC(C)(C)C)Cc1c([O-])cc(Br)cc1F ZINC001233028068 1038780557 /nfs/dbraw/zinc/78/05/57/1038780557.db2.gz IBHIVBVELFCLLG-UHFFFAOYSA-N -1 3 391.281 3.640 20 10 GHCDHM COC(=O)c1cc(Br)c([O-])c(CN(C)Cc2ccc(F)cc2)c1 ZINC001233305514 1039096528 /nfs/dbraw/zinc/09/65/28/1039096528.db2.gz JOYPEJUROHEDGA-UHFFFAOYSA-N -1 3 382.229 3.712 20 10 GHCDHM COC(=O)c1ccc(N2CCN(Cc3cccc(C(F)(F)F)c3[O-])CC2)cc1 ZINC001233418548 1039280625 /nfs/dbraw/zinc/28/06/25/1039280625.db2.gz LTUCGXXRWAUQNU-UHFFFAOYSA-N -1 3 394.393 3.520 20 10 GHCDHM [O-]c1ccc(-c2nnc([C@@H]3C[C@@H]3c3ccccc3)o2)cc1CN1CCOCC1 ZINC001254705291 1040465346 /nfs/dbraw/zinc/46/53/46/1040465346.db2.gz DCWIYUQFXDEWLK-RTBURBONSA-N -1 3 377.444 3.546 20 10 GHCDHM COc1cc2c(cc1OC)[C@@H](NC(=O)NCc1c([O-])cccc1F)CCCC2 ZINC001254709287 1040467144 /nfs/dbraw/zinc/46/71/44/1040467144.db2.gz RQXBMRYUKPWORL-KRWDZBQOSA-N -1 3 388.439 3.815 20 10 GHCDHM O=C([C@H]1CCCN(Cc2cc(F)cc(Br)c2[O-])C1)N1CCCCC1 ZINC001235301751 1040775505 /nfs/dbraw/zinc/77/55/05/1040775505.db2.gz IAFCKBUOBLUSBT-ZDUSSCGKSA-N -1 3 399.304 3.518 20 10 GHCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001236790909 1041896701 /nfs/dbraw/zinc/89/67/01/1041896701.db2.gz WFHPHKAGMFCKLH-KXBFYZLASA-N -1 3 395.286 3.906 20 10 GHCDHM COc1cc(C)nc(OC2CCN(Cc3cc(Cl)c(Cl)cc3[O-])CC2)n1 ZINC001236801074 1041900529 /nfs/dbraw/zinc/90/05/29/1041900529.db2.gz AHTAHKPEQUQRJB-UHFFFAOYSA-N -1 3 398.290 3.849 20 10 GHCDHM CC[C@@H](C)N1CC[C@@]2(CCN(Cc3c([O-])cc(Br)cc3F)C2)C1=O ZINC001278043677 1041998154 /nfs/dbraw/zinc/99/81/54/1041998154.db2.gz MWXUWWGQRBFNBJ-KZULUSFZSA-N -1 3 399.304 3.517 20 10 GHCDHM O=C1c2ccccc2CN1[C@H]1CCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237085660 1042028581 /nfs/dbraw/zinc/02/85/81/1042028581.db2.gz FDZPFRVJLAQPML-ZDUSSCGKSA-N -1 3 377.271 3.929 20 10 GHCDHM CCn1c2ccccc2nc1N1CCN(Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237125209 1042053060 /nfs/dbraw/zinc/05/30/60/1042053060.db2.gz ALGQMZSABUUGCX-UHFFFAOYSA-N -1 3 388.874 3.877 20 10 GHCDHM O=C1Nc2ncccc2C2(CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)O1 ZINC001237621229 1042288578 /nfs/dbraw/zinc/28/85/78/1042288578.db2.gz XRRMXZYSUNNOIM-UHFFFAOYSA-N -1 3 377.803 3.633 20 10 GHCDHM CO[C@H](CN1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1)c1ccccc1 ZINC001237623064 1042289701 /nfs/dbraw/zinc/28/97/01/1042289701.db2.gz GMQXTIJFSQYQSW-LJQANCHMSA-N -1 3 378.875 3.690 20 10 GHCDHM C[C@@H]1CN(C)[C@@H](C)CN1Cc1cc(Br)cc(C(F)(F)F)c1[O-] ZINC001237784097 1042367807 /nfs/dbraw/zinc/36/78/07/1042367807.db2.gz PYAXZADBSDGSBE-VHSXEESVSA-N -1 3 381.236 3.698 20 10 GHCDHM [O-]c1c(Cl)cc(F)cc1CN1CCC2(CCCN2c2ncccn2)CC1 ZINC001237800249 1042376271 /nfs/dbraw/zinc/37/62/71/1042376271.db2.gz NJCKAZVDGYENRF-UHFFFAOYSA-N -1 3 376.863 3.610 20 10 GHCDHM CN(Cc1cc(F)cc(Cl)c1[O-])C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001237800823 1042377533 /nfs/dbraw/zinc/37/75/33/1042377533.db2.gz BXAPPGREUYMVBH-GOSISDBHSA-N -1 3 378.875 3.518 20 10 GHCDHM O=C(NC1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1)c1ccccc1F ZINC001237940456 1042430123 /nfs/dbraw/zinc/43/01/23/1042430123.db2.gz LJJLVMRREWZGKR-UHFFFAOYSA-N -1 3 380.822 3.718 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cc(F)c(Cl)cc2[O-])C1)c1ccc(F)cc1 ZINC001237939965 1042430465 /nfs/dbraw/zinc/43/04/65/1042430465.db2.gz INSMOAFOIPVLOY-OAHLLOKOSA-N -1 3 380.822 3.718 20 10 GHCDHM CCOC(=O)c1coc(C2CCN(Cc3cc(F)c(Cl)cc3[O-])CC2)n1 ZINC001237940939 1042430909 /nfs/dbraw/zinc/43/09/09/1042430909.db2.gz PSVHRURYKRIOCJ-UHFFFAOYSA-N -1 3 382.819 3.729 20 10 GHCDHM CCCC[C@H](CC)CN1CCC12CN(C(=O)c1cc(O)c([O-])c(Cl)c1)C2 ZINC001279074600 1044394720 /nfs/dbraw/zinc/39/47/20/1044394720.db2.gz VNXOYIWBJZWVTR-AWEZNQCLSA-N -1 3 380.916 3.868 20 10 GHCDHM O=C(Cc1ccsc1)N1C[C@H]2C[C@@H](C1)N(Cc1c([O-])ccc(F)c1Cl)C2 ZINC001279684196 1047914032 /nfs/dbraw/zinc/91/40/32/1047914032.db2.gz MEABNQDMXMMBMC-KBPBESRZSA-N -1 3 394.899 3.522 20 10 GHCDHM O=S(=O)(NCc1c([O-])cccc1F)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001309879728 1051019925 /nfs/dbraw/zinc/01/99/25/1051019925.db2.gz YTWCZKPNFDFGQA-UHFFFAOYSA-N -1 3 383.750 3.682 20 10 GHCDHM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001447565617 1059982913 /nfs/dbraw/zinc/98/29/13/1059982913.db2.gz VHYDDPMACHIHFN-MRXNPFEDSA-N -1 3 391.467 3.950 20 10 GHCDHM O=C(Nc1ccc(C(=O)NCc2c([O-])cccc2F)cc1)OCC(F)(F)F ZINC001456030918 1062420363 /nfs/dbraw/zinc/42/03/63/1062420363.db2.gz SVYBCTLIDNWLAC-UHFFFAOYSA-N -1 3 386.301 3.572 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCOc3ccc(Br)cc3C2)c1[O-] ZINC001460013859 1064345843 /nfs/dbraw/zinc/34/58/43/1064345843.db2.gz YFFCCAHOBWHQJV-UHFFFAOYSA-N -1 3 394.240 3.891 20 10 GHCDHM Cc1cc(C(=O)N(C)[C@H](C)c2ccco2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227755 598610588 /nfs/dbraw/zinc/61/05/88/598610588.db2.gz QWZXGIRDLRYKDK-OAHLLOKOSA-N -1 3 390.447 3.700 20 10 GHCDHM Cc1cc(C(=O)N[C@H](C)c2cccs2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737232591 598610709 /nfs/dbraw/zinc/61/07/09/598610709.db2.gz BTKINAGBHAPURK-CYBMUJFWSA-N -1 3 392.488 3.827 20 10 GHCDHM Cc1cc(C(=O)N2CCC[C@H]2C(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235074 598612070 /nfs/dbraw/zinc/61/20/70/598612070.db2.gz RNMOHUODWDGVTJ-IBGZPJMESA-N -1 3 378.480 3.535 20 10 GHCDHM Clc1ccc(-c2nnn[n-]2)c(NCc2ccc(N3CCSCC3)cc2)c1 ZINC000737570159 598634892 /nfs/dbraw/zinc/63/48/92/598634892.db2.gz COBAKWURLZGVMJ-UHFFFAOYSA-N -1 3 386.912 3.685 20 10 GHCDHM Clc1ccc(-c2nn[n-]n2)c(NCc2ccc(N3CCSCC3)cc2)c1 ZINC000737570159 598634894 /nfs/dbraw/zinc/63/48/94/598634894.db2.gz COBAKWURLZGVMJ-UHFFFAOYSA-N -1 3 386.912 3.685 20 10 GHCDHM COc1ccc(N2CCC(Nc3ccc(Cl)cc3-c3nnn[n-]3)CC2)cc1 ZINC000737100291 598796331 /nfs/dbraw/zinc/79/63/31/598796331.db2.gz VYCSMXPDVIXIDB-UHFFFAOYSA-N -1 3 384.871 3.610 20 10 GHCDHM COc1ccc(N2CCC(Nc3ccc(Cl)cc3-c3nn[n-]n3)CC2)cc1 ZINC000737100291 598796333 /nfs/dbraw/zinc/79/63/33/598796333.db2.gz VYCSMXPDVIXIDB-UHFFFAOYSA-N -1 3 384.871 3.610 20 10 GHCDHM O=C([O-])N[C@H]1C[C@@H](NCc2ccc(N3CCSCC3)cc2)c2ccccc21 ZINC000834158449 605792832 /nfs/dbraw/zinc/79/28/32/605792832.db2.gz NSGHBTCKSOQWRK-UXHICEINSA-N -1 3 383.517 3.783 20 10 GHCDHM Oc1ccccc1CNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000826511582 609485515 /nfs/dbraw/zinc/48/55/15/609485515.db2.gz WMHHQMVIRRPXJH-UHFFFAOYSA-N -1 3 391.406 3.903 20 10 GHCDHM Oc1ccccc1CNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000826511582 609485517 /nfs/dbraw/zinc/48/55/17/609485517.db2.gz WMHHQMVIRRPXJH-UHFFFAOYSA-N -1 3 391.406 3.903 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000177096536 835864448 /nfs/dbraw/zinc/86/44/48/835864448.db2.gz DWPKDAPWYDBWAI-ZDUSSCGKSA-N -1 3 382.888 3.595 20 10 GHCDHM COC(=O)CN(Cc1ccc(Cl)cc1OC)Cc1cc(Cl)ccc1[O-] ZINC001167739221 840222788 /nfs/dbraw/zinc/22/27/88/840222788.db2.gz ADWMZOYQKXAARS-UHFFFAOYSA-N -1 3 384.259 3.883 20 10 GHCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H](C)COCc1ccccc1 ZINC001167740770 840350764 /nfs/dbraw/zinc/35/07/64/840350764.db2.gz ODDPABLLHXVSDX-MRXNPFEDSA-N -1 3 391.895 3.874 20 10 GHCDHM CN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cc(O)cc(Br)c1[O-] ZINC000124747825 841021473 /nfs/dbraw/zinc/02/14/73/841021473.db2.gz UOZRVIVBNGKNKP-CQSZACIVSA-N -1 3 383.629 3.710 20 10 GHCDHM COC(=O)CN(Cc1cnc(-c2ccccc2)nc1)Cc1cc(Cl)ccc1[O-] ZINC000732203381 862144465 /nfs/dbraw/zinc/14/44/65/862144465.db2.gz ZZIRFTPORKGTJL-UHFFFAOYSA-N -1 3 397.862 3.678 20 10 GHCDHM C[S@@](=O)C[C@@H](NCc1cc(Br)cc(F)c1[O-])c1ccccc1 ZINC000894424442 851286509 /nfs/dbraw/zinc/28/65/09/851286509.db2.gz GFCVGTNEVTZXLX-IVZQSRNASA-N -1 3 386.286 3.503 20 10 GHCDHM CCOC(=O)c1ncc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)[n-]1 ZINC000763643822 863846938 /nfs/dbraw/zinc/84/69/38/863846938.db2.gz WNKGYYUUNKMTQU-UHFFFAOYSA-N -1 3 386.839 3.900 20 10 GHCDHM CCOC(=O)c1nc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)c[n-]1 ZINC000763643822 863846952 /nfs/dbraw/zinc/84/69/52/863846952.db2.gz WNKGYYUUNKMTQU-UHFFFAOYSA-N -1 3 386.839 3.900 20 10 GHCDHM COC(=O)c1cc(F)c(OC)nc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168527858 865793537 /nfs/dbraw/zinc/79/35/37/865793537.db2.gz NLPFXIIUQBODTA-UHFFFAOYSA-N -1 3 391.786 3.535 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)c([O-])c1O ZINC000182240135 872064603 /nfs/dbraw/zinc/06/46/03/872064603.db2.gz PVUSTWSRQUDKLE-HNNXBMFYSA-N -1 3 382.460 3.982 20 10 GHCDHM Cc1ccc(NC(=O)[C@H]2CCCN(Cc3cc(Cl)cc(F)c3[O-])C2)nc1 ZINC000775654156 872389594 /nfs/dbraw/zinc/38/95/94/872389594.db2.gz TZQJUFLRRSDPBU-ZDUSSCGKSA-N -1 3 377.847 3.739 20 10 GHCDHM O=C(NC1CCCCC1)NC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775663129 872459142 /nfs/dbraw/zinc/45/91/42/872459142.db2.gz ZEGPWKOULWPTNE-UHFFFAOYSA-N -1 3 383.895 3.781 20 10 GHCDHM O=C(NC[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1)c1ccccc1 ZINC000775669231 872586260 /nfs/dbraw/zinc/58/62/60/872586260.db2.gz HTJXDYCHVWLFKZ-AWEZNQCLSA-N -1 3 376.859 3.827 20 10 GHCDHM O=C(CC1CCCC1)N1CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000768251217 873191603 /nfs/dbraw/zinc/19/16/03/873191603.db2.gz LWOLXENXCPYSIC-UHFFFAOYSA-N -1 3 395.341 3.769 20 10 GHCDHM COC(=O)CN(Cc1cnc(C(C)(C)C)s1)Cc1cc(Cl)ccc1[O-] ZINC000769379807 874007815 /nfs/dbraw/zinc/00/78/15/874007815.db2.gz NLDVNVUWUAEQRM-UHFFFAOYSA-N -1 3 382.913 3.975 20 10 GHCDHM [O-]c1cccc(Cl)c1CN1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000769387878 874014839 /nfs/dbraw/zinc/01/48/39/874014839.db2.gz OTSCBJZCPLXZIR-GOSISDBHSA-N -1 3 381.303 3.550 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC(C(=O)C(F)(F)F)CC2)c1 ZINC000776010088 875123516 /nfs/dbraw/zinc/12/35/16/875123516.db2.gz XQPKQLUEWBSCGB-UHFFFAOYSA-N -1 3 380.204 3.807 20 10 GHCDHM Cc1cc(C)c(N2CC[C@@H](N[C@H](C)c3cc([N+](=O)[O-])ccc3[O-])C2=O)c(C)c1 ZINC000788986074 878495365 /nfs/dbraw/zinc/49/53/65/878495365.db2.gz ZEPCJDFHRMRWGI-CRAIPNDOSA-N -1 3 383.448 3.682 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNCc2ccn(Cc3ccccc3)n2)c1 ZINC000790636568 879875917 /nfs/dbraw/zinc/87/59/17/879875917.db2.gz QQJUWOHPUKGPTF-UHFFFAOYSA-N -1 3 386.293 3.998 20 10 GHCDHM CN1CCO[C@@H]([C@H](NCc2c([O-])ccc(Cl)c2F)c2ccc(Cl)cc2)C1 ZINC000790982151 880140756 /nfs/dbraw/zinc/14/07/56/880140756.db2.gz RBMNYKOKFMINCF-IEBWSBKVSA-N -1 3 399.293 4.000 20 10 GHCDHM Cc1cc(NCc2cc(Cl)c3cccnc3c2[O-])cnc1N1CCOCC1 ZINC001168524141 884127561 /nfs/dbraw/zinc/12/75/61/884127561.db2.gz WPFXRUZBVPFDSD-UHFFFAOYSA-N -1 3 384.867 3.746 20 10 GHCDHM [O-]c1cc(F)c(F)cc1CN1CC(c2ncn3cc(Br)ccc23)C1 ZINC001142527500 884543479 /nfs/dbraw/zinc/54/34/79/884543479.db2.gz XCJFRESOYTUHMB-UHFFFAOYSA-N -1 3 394.219 3.680 20 10 GHCDHM CCOC(=O)[C@@](C)(NCc1ccc(Br)cc1[O-])c1ccccc1 ZINC001183885759 912872003 /nfs/dbraw/zinc/87/20/03/912872003.db2.gz OIOSXQGZPKKKID-SFHVURJKSA-N -1 3 378.266 3.723 20 10 GHCDHM COC(=O)[C@H](NCc1c([O-])cccc1Br)c1ccc(C)c(C)c1 ZINC000862332454 886296706 /nfs/dbraw/zinc/29/67/06/886296706.db2.gz VJKKVVNSZVKDHN-QGZVFWFLSA-N -1 3 378.266 3.775 20 10 GHCDHM O=C(CC(F)(F)F)NC[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000809689740 887666329 /nfs/dbraw/zinc/66/63/29/887666329.db2.gz BZVFPPCVYWHVDZ-SNVBAGLBSA-N -1 3 399.240 3.980 20 10 GHCDHM [O-]c1ccc(Cl)c(F)c1CN[C@H](CO)c1ccc(Br)c(F)c1 ZINC000813792128 891981448 /nfs/dbraw/zinc/98/14/48/891981448.db2.gz JRLPMKZWUJUPRM-CYBMUJFWSA-N -1 3 392.627 3.910 20 10 GHCDHM CCCN1C(=O)c2ccccc2N[C@@H]1c1cc(O)cc(Br)c1[O-] ZINC000917500702 892070485 /nfs/dbraw/zinc/07/04/85/892070485.db2.gz GBXRWGIJVBIASA-INIZCTEOSA-N -1 3 377.238 3.837 20 10 GHCDHM CN1CCO[C@H]([C@@H](NCc2cc(Cl)c(F)cc2[O-])c2ccc(Cl)cc2)C1 ZINC000816559890 894944180 /nfs/dbraw/zinc/94/41/80/894944180.db2.gz YEUACOHJKPYSML-OALUTQOASA-N -1 3 399.293 4.000 20 10 GHCDHM COC(=O)c1cnc([C@H](C)N[C@@H](C)c2cc(Br)ccc2[O-])s1 ZINC000818358352 896145159 /nfs/dbraw/zinc/14/51/59/896145159.db2.gz WWXALQAQBWXDEJ-IUCAKERBSA-N -1 3 385.283 3.810 20 10 GHCDHM CCCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1CCC[C@@H](C)C1 ZINC000818801486 896242860 /nfs/dbraw/zinc/24/28/60/896242860.db2.gz APUKRMUZFYIQQD-GDBMZVCRSA-N -1 3 382.526 3.585 20 10 GHCDHM COc1c([O-])c(CNc2ccc(N3CCSCC3)c(C)c2)ccc1[N+](=O)[O-] ZINC000774931368 914099461 /nfs/dbraw/zinc/09/94/61/914099461.db2.gz JEWBYBHKLCQTSW-UHFFFAOYSA-N -1 3 389.477 3.783 20 10 GHCDHM COc1c([O-])c(CNc2cc(F)ccc2OC[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000774938306 914107595 /nfs/dbraw/zinc/10/75/95/914107595.db2.gz UHKRRBDIABDINJ-AWEZNQCLSA-N -1 3 392.383 3.618 20 10 GHCDHM COc1c([O-])c(CNCc2ccc(F)cc2Br)ccc1[N+](=O)[O-] ZINC000774975112 914317103 /nfs/dbraw/zinc/31/71/03/914317103.db2.gz OJGHANAJPXTOPM-UHFFFAOYSA-N -1 3 385.189 3.500 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000824636992 899731861 /nfs/dbraw/zinc/73/18/61/899731861.db2.gz WBADRPZPISGMIF-APWZRJJASA-N -1 3 394.284 3.763 20 10 GHCDHM Cc1cc([O-])c(CN2CCOC[C@H]2c2noc(-c3ccccc3)n2)cc1Cl ZINC000825461762 900178220 /nfs/dbraw/zinc/17/82/20/900178220.db2.gz OAILUHIFALSBMS-KRWDZBQOSA-N -1 3 385.851 3.978 20 10 GHCDHM CCOCc1nc([C@H](C)N[C@@H](CC)c2cc(Br)ccc2[O-])no1 ZINC000290155753 914550550 /nfs/dbraw/zinc/55/05/50/914550550.db2.gz LOUXWODSFFQYAA-GWCFXTLKSA-N -1 3 384.274 3.876 20 10 GHCDHM O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000778996659 902622114 /nfs/dbraw/zinc/62/21/14/902622114.db2.gz WLPGGHDNYORVIE-UHFFFAOYSA-N -1 3 383.250 3.796 20 10 GHCDHM NC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)Cc1cc(F)ccc1[O-] ZINC000778998923 902665842 /nfs/dbraw/zinc/66/58/42/902665842.db2.gz FNANPCXLJQUUDS-UHFFFAOYSA-N -1 3 394.446 3.598 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](Cc2ccccc2)c2nccn2C)c1 ZINC000846206542 902755850 /nfs/dbraw/zinc/75/58/50/902755850.db2.gz DIXNPVIXXHURMH-KXBFYZLASA-N -1 3 379.460 3.547 20 10 GHCDHM CC(=O)O[C@H](C(=O)NCc1cc(Cl)c2cccnc2c1[O-])c1ccccc1 ZINC001144919888 903160999 /nfs/dbraw/zinc/16/09/99/903160999.db2.gz OGDTYTZITPBDGN-IBGZPJMESA-N -1 3 384.819 3.514 20 10 GHCDHM COc1ccccc1-n1c(NC(=O)c2cccc(O)c2[O-])nc2ccccc21 ZINC001147119245 903690486 /nfs/dbraw/zinc/69/04/86/903690486.db2.gz ITLAAHQSRVQWCO-UHFFFAOYSA-N -1 3 375.384 3.698 20 10 GHCDHM O=C(Nc1cc2cc(Br)cc(F)c2cn1)c1cc(O)c([O-])c(O)c1 ZINC001148581818 904126321 /nfs/dbraw/zinc/12/63/21/904126321.db2.gz BMEYBXPVKCUGFB-UHFFFAOYSA-N -1 3 393.168 3.506 20 10 GHCDHM O=C(Cc1ncccc1C(F)F)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001178440071 909040569 /nfs/dbraw/zinc/04/05/69/909040569.db2.gz IEFRSDOBRLVDFX-UHFFFAOYSA-N -1 3 377.778 3.785 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)c1ccccc1CSC1=NCCS1 ZINC001178410082 909048326 /nfs/dbraw/zinc/04/83/26/909048326.db2.gz LKFXQWOQCUZCEB-UHFFFAOYSA-N -1 3 376.478 3.797 20 10 GHCDHM CC(C)(C)OC(=O)N1CCc2c1cccc2C(=O)NCc1c([O-])cccc1F ZINC001178417319 909051138 /nfs/dbraw/zinc/05/11/38/909051138.db2.gz ZXTQPZOJTAUQMY-UHFFFAOYSA-N -1 3 386.423 3.759 20 10 GHCDHM O=C(Cc1cc(F)cc(F)c1F)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001179843429 909764050 /nfs/dbraw/zinc/76/40/50/909764050.db2.gz CEMDMMYVAHYOLE-UHFFFAOYSA-N -1 3 380.753 3.870 20 10 GHCDHM COc1cc(N[C@@H]2CCCN(Cc3ccc(F)c(F)c3[O-])C2)cc(OC)c1 ZINC001179887698 909778619 /nfs/dbraw/zinc/77/86/19/909778619.db2.gz NQBSTPDXGNDZDV-CQSZACIVSA-N -1 3 378.419 3.764 20 10 GHCDHM CC(=O)c1cc(CN2C[C@H](C)[C@@H]2c2ccccc2)c([O-])c(CN2CCOCC2)c1 ZINC000247507738 911328123 /nfs/dbraw/zinc/32/81/23/911328123.db2.gz YHQRUEVTRPDUHV-GAJHUEQPSA-N -1 3 394.515 3.620 20 10 GHCDHM COc1ccc(N[C@H](C)c2cc(Cl)c(Cl)cc2[O-])cc1-n1cnnn1 ZINC000774346434 911693550 /nfs/dbraw/zinc/69/35/50/911693550.db2.gz XBAVNZHUWCHNSM-SECBINFHSA-N -1 3 380.235 3.856 20 10 GHCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1cc(OC)ccc1Cl ZINC001191683245 918151676 /nfs/dbraw/zinc/15/16/76/918151676.db2.gz VWGZFUBZQWBHTH-UHFFFAOYSA-N -1 3 384.259 3.883 20 10 GHCDHM O=c1ccccn1C[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000800313865 919892367 /nfs/dbraw/zinc/89/23/67/919892367.db2.gz PTNVDOCIXQHSKR-KRWDZBQOSA-N -1 3 399.834 3.647 20 10 GHCDHM COc1c([O-])c(CN2CC[C@](F)(c3cc(C)cc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000800536159 920251377 /nfs/dbraw/zinc/25/13/77/920251377.db2.gz NHXLATQOZOGLPH-LJQANCHMSA-N -1 3 378.375 3.827 20 10 GHCDHM CNC(=O)c1ccc(CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C2CC2)cc1 ZINC000750035699 927398945 /nfs/dbraw/zinc/39/89/45/927398945.db2.gz HKALKOWEAWKQFN-UHFFFAOYSA-N -1 3 386.879 3.772 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000781898247 931017857 /nfs/dbraw/zinc/01/78/57/931017857.db2.gz WEIGBUHVSUCRLC-CYBMUJFWSA-N -1 3 385.302 3.562 20 10 GHCDHM COc1c([O-])c(CNc2ccc(C(=O)N3CCC(C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000798083102 932522560 /nfs/dbraw/zinc/52/25/60/932522560.db2.gz MZCFXBTTWDAWCL-UHFFFAOYSA-N -1 3 399.447 3.793 20 10 GHCDHM C[C@H]([NH2+]CCC1=CCN(C(=O)OC(C)(C)C)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593262825 994557435 /nfs/dbraw/zinc/55/74/35/994557435.db2.gz XFSBEXYQIWAYRT-AWEZNQCLSA-N -1 3 390.480 3.698 20 10 GHCDHM O=C(N[C@H](c1cc(F)cc(Br)c1)C1CC1)c1cccc(O)c1[O-] ZINC001155093557 1032411384 /nfs/dbraw/zinc/41/13/84/1032411384.db2.gz SIZNDIBAMXXTAN-HNNXBMFYSA-N -1 3 380.213 3.881 20 10 GHCDHM CCOC(=O)[C@H]1CCC[C@@H](Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)C1 ZINC001227939905 1032706498 /nfs/dbraw/zinc/70/64/98/1032706498.db2.gz FTXCMMAOQVFBDR-JKSUJKDBSA-N -1 3 384.428 3.830 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001156171177 1032912026 /nfs/dbraw/zinc/91/20/26/1032912026.db2.gz XICHDLLXIZAPNP-IBGZPJMESA-N -1 3 397.368 3.816 20 10 GHCDHM Cc1noc(C)c1CSc1ncccc1C(=O)NCc1c([O-])cccc1F ZINC001156164392 1032908674 /nfs/dbraw/zinc/90/86/74/1032908674.db2.gz ZRNCFINDEJXXLC-UHFFFAOYSA-N -1 3 387.436 3.753 20 10 GHCDHM [O-]c1cc(Cl)ccc1CN1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 ZINC001140464816 1021758500 /nfs/dbraw/zinc/75/85/00/1021758500.db2.gz CREIWPXAVCZQQR-LAUBAEHRSA-N -1 3 388.895 3.891 20 10 GHCDHM [O-]c1cc(F)cc(F)c1CN1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001140581336 1022001725 /nfs/dbraw/zinc/00/17/25/1022001725.db2.gz PAAOFBLVXLFOTP-CTNGQTDRSA-N -1 3 390.430 3.516 20 10 GHCDHM O=S(=O)([N-]c1ccc(O)cc1F)c1cccc(Cl)c1Br ZINC000755021204 1023026182 /nfs/dbraw/zinc/02/61/82/1023026182.db2.gz YAJJALCMSIIINB-UHFFFAOYSA-N -1 3 380.622 3.748 20 10 GHCDHM O=C1OC2(CCN(Cc3c(F)ccc(F)c3[O-])CC2)c2ccc(Cl)cc21 ZINC001139688115 1026540103 /nfs/dbraw/zinc/54/01/03/1026540103.db2.gz ZTCCUPWFOBOKJE-UHFFFAOYSA-N -1 3 379.790 3.986 20 10 GHCDHM CCOC[C@@H]1CN(Cc2cc(Br)ccc2[O-])Cc2cnn(CC)c21 ZINC001203639727 1027497559 /nfs/dbraw/zinc/49/75/59/1027497559.db2.gz JBEIWYGSEZWXMI-HNNXBMFYSA-N -1 3 394.313 3.507 20 10 GHCDHM [O-]c1ccc(Br)cc1CN1CCN(c2nccc3occc32)CC1 ZINC001203645736 1027503079 /nfs/dbraw/zinc/50/30/79/1027503079.db2.gz ODKXWRAPFXXFHV-UHFFFAOYSA-N -1 3 388.265 3.618 20 10 GHCDHM Cc1cc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)c(F)cc1Br ZINC001215325152 1029153441 /nfs/dbraw/zinc/15/34/41/1029153441.db2.gz DOPOGLZRPMAZFU-UHFFFAOYSA-N -1 3 381.157 3.730 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1c[nH]c(=O)c2ccccc12 ZINC001151160093 1030787164 /nfs/dbraw/zinc/78/71/64/1030787164.db2.gz IMQARDXUIWPEEE-UHFFFAOYSA-N -1 3 379.803 3.778 20 10 GHCDHM O=C1C[C@@]2(CN1CC(F)(F)F)CCCCN2Cc1cc(F)c(Cl)cc1[O-] ZINC001276967939 1030981713 /nfs/dbraw/zinc/98/17/13/1030981713.db2.gz VXLMPAHKDKNVQF-MRXNPFEDSA-N -1 3 394.796 3.704 20 10 GHCDHM Cc1ccc([C@@H](Cn2ccnc2)NC(=O)NCc2c([O-])cccc2F)c(C)c1 ZINC001224680510 1031078073 /nfs/dbraw/zinc/07/80/73/1031078073.db2.gz APZICZQJYVHEHG-LJQANCHMSA-N -1 3 382.439 3.585 20 10 GHCDHM CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(Br)c(F)cc1[O-] ZINC001276517804 1034214629 /nfs/dbraw/zinc/21/46/29/1034214629.db2.gz IFEHLGSEXZUBNX-HFBAOOFYSA-N -1 3 399.304 3.658 20 10 GHCDHM CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454101 1034598460 /nfs/dbraw/zinc/59/84/60/1034598460.db2.gz NOECDTLVFUUNCW-JQFCIGGWSA-N -1 3 375.465 3.565 20 10 GHCDHM CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454101 1034598469 /nfs/dbraw/zinc/59/84/69/1034598469.db2.gz NOECDTLVFUUNCW-JQFCIGGWSA-N -1 3 375.465 3.565 20 10 GHCDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(N3CCC(C)CC3)cc2)c(F)cc1F ZINC001209405493 1035270465 /nfs/dbraw/zinc/27/04/65/1035270465.db2.gz NKRZITJHLIRQGH-UHFFFAOYSA-N -1 3 394.487 3.988 20 10 GHCDHM CCOC(=O)c1sc(-c2ccc([O-])c(CN3CCOC[C@H]3CC)c2)nc1C ZINC001232454188 1038238354 /nfs/dbraw/zinc/23/83/54/1038238354.db2.gz XTHLSABJOFKBMX-MRXNPFEDSA-N -1 3 390.505 3.612 20 10 GHCDHM [O-]c1cc(C(F)(F)F)ccc1CN1CCn2cc(CN3CCCCC3)nc2C1 ZINC001233453713 1039339313 /nfs/dbraw/zinc/33/93/13/1039339313.db2.gz QUYFSJKUZUTNAD-UHFFFAOYSA-N -1 3 394.441 3.609 20 10 GHCDHM CC(=O)c1ccc(N2CCN(Cc3ccc(C(F)(F)F)cc3[O-])CC2)cc1 ZINC001233454369 1039343276 /nfs/dbraw/zinc/34/32/76/1039343276.db2.gz SDKSJAOHHNDCHS-UHFFFAOYSA-N -1 3 378.394 3.936 20 10 GHCDHM CCCOC[C@H](C)Oc1c(C)cc2c(c1OC)C(=O)c1c([O-])cccc1C2=O ZINC001234131398 1039871602 /nfs/dbraw/zinc/87/16/02/1039871602.db2.gz OMGLQNWEEZRIMW-ZDUSSCGKSA-N -1 3 384.428 3.679 20 10 GHCDHM Cc1ccc([C@@H](C)Oc2cc([O-])cc3oc4cc([O-])c(O)cc4c(=O)c23)cn1 ZINC001234748887 1040275573 /nfs/dbraw/zinc/27/55/73/1040275573.db2.gz NBJBLDUQTFEDSE-LLVKDONJSA-N -1 3 379.368 3.906 20 10 GHCDHM Cc1ccc([C@@H](C)Oc2cc([O-])cc3oc4cc(O)c(O)cc4c(=O)c23)cn1 ZINC001234748887 1040275591 /nfs/dbraw/zinc/27/55/91/1040275591.db2.gz NBJBLDUQTFEDSE-LLVKDONJSA-N -1 3 379.368 3.906 20 10 GHCDHM COc1ccc([C@@H](C)Oc2cc([O-])cc3oc4cc(O)c(O)cc4c(=O)c23)cn1 ZINC001234749758 1040278331 /nfs/dbraw/zinc/27/83/31/1040278331.db2.gz WOKZATFODJSMSJ-SNVBAGLBSA-N -1 3 395.367 3.607 20 10 GHCDHM [O-]c1c(F)c(F)ccc1CN1CCN[C@H](c2cccc(Br)c2)C1 ZINC001235799977 1041301992 /nfs/dbraw/zinc/30/19/92/1041301992.db2.gz MNKYEJKIKBZOBO-HNNXBMFYSA-N -1 3 383.236 3.579 20 10 GHCDHM COc1ccc(CN2CCC[C@@](C)(NC(=O)OC(C)(C)C)C2)c([O-])c1Cl ZINC001236803527 1041905711 /nfs/dbraw/zinc/90/57/11/1041905711.db2.gz VAWNKZGTXINEKA-LJQANCHMSA-N -1 3 384.904 3.933 20 10 GHCDHM Cn1cc([C@H]2COC3(C2)CCN(Cc2c([O-])ccc(Cl)c2Cl)CC3)cn1 ZINC001237081386 1042026313 /nfs/dbraw/zinc/02/63/13/1042026313.db2.gz XHDPBORSTGCVDW-CYBMUJFWSA-N -1 3 396.318 3.971 20 10 GHCDHM Cn1cc([C@@H]2COC3(C2)CCN(Cc2c([O-])ccc(Cl)c2Cl)CC3)cn1 ZINC001237081394 1042026775 /nfs/dbraw/zinc/02/67/75/1042026775.db2.gz XHDPBORSTGCVDW-ZDUSSCGKSA-N -1 3 396.318 3.971 20 10 GHCDHM O=C1N(CC2CC2)CCC12CCN(Cc1c([O-])ccc(Cl)c1Cl)CC2 ZINC001237085884 1042029031 /nfs/dbraw/zinc/02/90/31/1042029031.db2.gz KAULYYIRLSXYFK-UHFFFAOYSA-N -1 3 383.319 3.924 20 10 GHCDHM CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)[N-]c3ccnc(N)c3)cc2)cc1 ZINC001237471860 1042222633 /nfs/dbraw/zinc/22/26/33/1042222633.db2.gz PXNUYBWKJKEFTO-GHVJWSGMSA-N -1 3 396.476 3.946 20 10 GHCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001237619112 1042286320 /nfs/dbraw/zinc/28/63/20/1042286320.db2.gz MWDXIFOVTXXSQH-QXAKKESOSA-N -1 3 392.858 3.781 20 10 GHCDHM COc1ccc(C(=O)NC2CCN(Cc3cc(F)c(Cl)cc3[O-])CC2)cc1 ZINC001237936680 1042427921 /nfs/dbraw/zinc/42/79/21/1042427921.db2.gz LOUKSEHCXKIKLC-UHFFFAOYSA-N -1 3 392.858 3.588 20 10 GHCDHM O=S(=O)(Cc1ccc(Cl)cc1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001259243501 1045039683 /nfs/dbraw/zinc/03/96/83/1045039683.db2.gz JBOQCOKCOLYRAN-UHFFFAOYSA-N -1 3 397.283 3.867 20 10 GHCDHM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)cc2C)cc1 ZINC001259724851 1045275974 /nfs/dbraw/zinc/27/59/74/1045275974.db2.gz SQVJAVIQJXVMAX-UHFFFAOYSA-N -1 3 391.493 3.684 20 10 GHCDHM Cc1ncsc1CN1C[C@H]2C[C@@H](C1)N2Cc1ccc(C(F)(F)F)cc1[O-] ZINC001279513964 1047830090 /nfs/dbraw/zinc/83/00/90/1047830090.db2.gz OCYIGSKTAGIDBE-GASCZTMLSA-N -1 3 383.439 3.635 20 10 GHCDHM O=c1cccc(CN2C[C@H]3C[C@@H](C2)N(Cc2c([O-])ccc(Cl)c2Cl)C3)[nH]1 ZINC001279677061 1047910937 /nfs/dbraw/zinc/91/09/37/1047910937.db2.gz XFXLHOGNKOIIHF-OCCSQVGLSA-N -1 3 394.302 3.506 20 10 GHCDHM [O-]c1c(Br)cccc1CNCc1cccc(OCC(F)(F)F)n1 ZINC001322213577 1056576001 /nfs/dbraw/zinc/57/60/01/1056576001.db2.gz OBSLTBQBSIYIKG-UHFFFAOYSA-N -1 3 391.187 3.781 20 10 GHCDHM CC(C)(C)c1nc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)co1 ZINC001445883713 1059644437 /nfs/dbraw/zinc/64/44/37/1059644437.db2.gz NRPDAQCYKYKAKI-HNNXBMFYSA-N -1 3 391.899 3.726 20 10 GHCDHM COc1ccc(-n2c(C)cc(C(=O)Nc3ccccc3-c3nnn[n-]3)c2C)cc1 ZINC001454417479 1061773826 /nfs/dbraw/zinc/77/38/26/1061773826.db2.gz OWSYOQOZQLYKRW-UHFFFAOYSA-N -1 3 388.431 3.535 20 10 GHCDHM COc1ccc(-n2c(C)cc(C(=O)Nc3ccccc3-c3nn[n-]n3)c2C)cc1 ZINC001454417479 1061773841 /nfs/dbraw/zinc/77/38/41/1061773841.db2.gz OWSYOQOZQLYKRW-UHFFFAOYSA-N -1 3 388.431 3.535 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](C)[C@H]2CNC(=O)OC(C)(C)C)c1[O-] ZINC001459608290 1064141282 /nfs/dbraw/zinc/14/12/82/1064141282.db2.gz KYQCDYFLRAQAMU-SCLBCKFNSA-N -1 3 394.487 3.859 20 10 GHCDHM [O-]c1cccc(Br)c1CNCc1cccc(OCC(F)(F)F)n1 ZINC001351328816 1064381415 /nfs/dbraw/zinc/38/14/15/1064381415.db2.gz HXMWRHPABSBLCA-UHFFFAOYSA-N -1 3 391.187 3.781 20 10 GHCDHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)c1nc2ccccc2n1C(F)F ZINC001467869265 1067508084 /nfs/dbraw/zinc/50/80/84/1067508084.db2.gz YGVGTHWGYOQFRF-SNVBAGLBSA-N -1 3 378.354 3.837 20 10 GHCDHM COCCSc1ccc([C@H](C)NC(=O)NCc2c([O-])cccc2F)cc1 ZINC001477824672 1078581014 /nfs/dbraw/zinc/58/10/14/1078581014.db2.gz BDSUUGUPTSNTPX-ZDUSSCGKSA-N -1 3 378.469 3.830 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN(C)C[C@H]2CCN2C(=O)OC(C)(C)C)c1[O-] ZINC001460846516 1069214786 /nfs/dbraw/zinc/21/47/86/1069214786.db2.gz OZQVVFCLHDOFKQ-OAHLLOKOSA-N -1 3 382.888 3.689 20 10 GHCDHM COc1ccnc(NCc2cc(Br)cc(Br)c2[O-])c1 ZINC001474098208 1074263329 /nfs/dbraw/zinc/26/33/29/1074263329.db2.gz HNHYBQFDHCWISF-UHFFFAOYSA-N -1 3 388.059 3.933 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN(C)[C@@H](c2nc[nH]n2)c2ccccc2)c1 ZINC001474570237 1074467412 /nfs/dbraw/zinc/46/74/12/1074467412.db2.gz AHQFAIKNGASGMW-MRXNPFEDSA-N -1 3 387.281 3.803 20 10 GHCDHM CCCN(CC(C)C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736469172 598610008 /nfs/dbraw/zinc/61/00/08/598610008.db2.gz HOEIBMLALILIAX-UHFFFAOYSA-N -1 3 380.496 3.782 20 10 GHCDHM CCC1CCN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)CC1 ZINC000736403922 598610101 /nfs/dbraw/zinc/61/01/01/598610101.db2.gz ZGDFVYXETFMERI-UHFFFAOYSA-N -1 3 378.480 3.536 20 10 GHCDHM Cc1cc(C(=O)N2CCCCCCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235024 598610483 /nfs/dbraw/zinc/61/04/83/598610483.db2.gz QUWPEIIEQPYUBC-UHFFFAOYSA-N -1 3 378.480 3.681 20 10 GHCDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000736136238 598664112 /nfs/dbraw/zinc/66/41/12/598664112.db2.gz FPTCYOIKIKQDKW-CYBMUJFWSA-N -1 3 384.871 3.530 20 10 GHCDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000736136238 598664114 /nfs/dbraw/zinc/66/41/14/598664114.db2.gz FPTCYOIKIKQDKW-CYBMUJFWSA-N -1 3 384.871 3.530 20 10 GHCDHM CN(C)c1ccc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cc1F ZINC000736779801 599522475 /nfs/dbraw/zinc/52/24/75/599522475.db2.gz MKUSAASINFLOIS-UHFFFAOYSA-N -1 3 380.349 3.703 20 10 GHCDHM CCN(C(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367390 608346885 /nfs/dbraw/zinc/34/68/85/608346885.db2.gz ORRVBXFXWRCNSD-XBXARRHUSA-N -1 3 389.246 3.635 20 10 GHCDHM CCN(C(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367390 608346887 /nfs/dbraw/zinc/34/68/87/608346887.db2.gz ORRVBXFXWRCNSD-XBXARRHUSA-N -1 3 389.246 3.635 20 10 GHCDHM O=C(c1ccc(F)cc1Cl)N1CCN(Cc2c([O-])ccc3ccncc32)CC1 ZINC000748078183 835366302 /nfs/dbraw/zinc/36/63/02/835366302.db2.gz SOXSKFIKYKLZMX-UHFFFAOYSA-N -1 3 399.853 3.691 20 10 GHCDHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(N3CCCCC3)cc2)c1OC ZINC000277296396 845598859 /nfs/dbraw/zinc/59/88/59/845598859.db2.gz MSFUDZIXZQFZFK-FQEVSTJZSA-N -1 3 398.503 4.000 20 10 GHCDHM C[C@@H]1CN(c2ccc(CNC(=O)c3cc([O-])ccc3Cl)cc2F)C[C@@H](C)O1 ZINC000764384381 859426591 /nfs/dbraw/zinc/42/65/91/859426591.db2.gz YYECPFYBYFTUMB-CHWSQXEVSA-N -1 3 392.858 3.728 20 10 GHCDHM CSc1nc(NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)n[n-]1 ZINC000727486167 860113548 /nfs/dbraw/zinc/11/35/48/860113548.db2.gz DNEYTPOKYCXNNM-UHFFFAOYSA-N -1 3 375.885 3.769 20 10 GHCDHM COc1ccc(N2CC[C@@H](CNC(=O)c3cc([O-])cc(C(F)(F)F)c3)C2)cc1 ZINC000857294594 882180452 /nfs/dbraw/zinc/18/04/52/882180452.db2.gz IOQCGMUHKJZIRI-ZDUSSCGKSA-N -1 3 394.393 3.676 20 10 GHCDHM Cc1nn(CC(C)C)c(C)c1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001193877981 871338430 /nfs/dbraw/zinc/33/84/30/871338430.db2.gz SYPFHLRHRQZDFU-UHFFFAOYSA-N -1 3 386.883 3.993 20 10 GHCDHM CC[C@H](NC(=O)NCc1c([O-])cccc1F)c1nc(C(F)(F)F)cs1 ZINC000921092446 882587998 /nfs/dbraw/zinc/58/79/98/882587998.db2.gz DGNUIYHPBPDYQS-JTQLQIEISA-N -1 3 377.363 3.957 20 10 GHCDHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195278374 872303235 /nfs/dbraw/zinc/30/32/35/872303235.db2.gz GNBXJBSWLLMIGV-WCWDXBQESA-N -1 3 399.414 3.918 20 10 GHCDHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195278374 872303243 /nfs/dbraw/zinc/30/32/43/872303243.db2.gz GNBXJBSWLLMIGV-WCWDXBQESA-N -1 3 399.414 3.918 20 10 GHCDHM Cc1ccc(-c2noc(CN3CCN(Cc4c([O-])cccc4Cl)CC3)n2)cc1 ZINC000768226368 873177937 /nfs/dbraw/zinc/17/79/37/873177937.db2.gz NAVUPZUCVJZQTD-UHFFFAOYSA-N -1 3 398.894 3.722 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ncc(-c2ccccc2)cn1 ZINC001197252432 873675887 /nfs/dbraw/zinc/67/58/87/873675887.db2.gz BDMYKYGPXFKHFN-UHFFFAOYSA-N -1 3 390.830 3.981 20 10 GHCDHM COC(=O)Nc1ccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc1 ZINC001197409158 873795649 /nfs/dbraw/zinc/79/56/49/873795649.db2.gz VMVCKFWQASLROC-UHFFFAOYSA-N -1 3 385.807 3.702 20 10 GHCDHM CC(=O)N1CCN(Cc2cc(Br)ccc2[O-])CC12CCCCC2 ZINC000770292667 874581746 /nfs/dbraw/zinc/58/17/46/874581746.db2.gz OCYAAYVGXUZZNJ-UHFFFAOYSA-N -1 3 381.314 3.522 20 10 GHCDHM Cc1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)c([O-])c1O ZINC000770484301 874727815 /nfs/dbraw/zinc/72/78/15/874727815.db2.gz RSMHQUXCXQZJGP-UHFFFAOYSA-N -1 3 388.851 3.938 20 10 GHCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1csc(C2CC2)n1 ZINC000771056618 875012735 /nfs/dbraw/zinc/01/27/35/875012735.db2.gz FMESUJKJZZNRRS-HNNXBMFYSA-N -1 3 391.924 3.774 20 10 GHCDHM CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000772177050 875734592 /nfs/dbraw/zinc/73/45/92/875734592.db2.gz KAHILCCTUMOPJD-INIZCTEOSA-N -1 3 377.784 3.549 20 10 GHCDHM C[C@@H](NCc1cnc(C(F)(F)F)nc1)c1cc(Br)c(F)cc1[O-] ZINC000850485698 876959555 /nfs/dbraw/zinc/95/95/55/876959555.db2.gz MUZMZROISVSRLM-SSDOTTSWSA-N -1 3 394.166 3.953 20 10 GHCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000790415160 879695368 /nfs/dbraw/zinc/69/53/68/879695368.db2.gz AHKHCDZLACYVLL-UHFFFAOYSA-N -1 3 375.368 3.697 20 10 GHCDHM C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000790894619 880053411 /nfs/dbraw/zinc/05/34/11/880053411.db2.gz DQWRLRLWYAFMFC-ZDUSSCGKSA-N -1 3 386.448 3.614 20 10 GHCDHM C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(N2CCOCC2)cc1 ZINC000792086100 880917590 /nfs/dbraw/zinc/91/75/90/880917590.db2.gz SGPAOFGIBHDAOB-MRXNPFEDSA-N -1 3 376.456 3.873 20 10 GHCDHM [O-]c1c(Cl)cccc1CN(CCO)Cc1ccc(Br)s1 ZINC000792195313 880982232 /nfs/dbraw/zinc/98/22/32/880982232.db2.gz HNLJVPYPHVPRTA-UHFFFAOYSA-N -1 3 376.703 3.864 20 10 GHCDHM C[C@@H](N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858520047 883168964 /nfs/dbraw/zinc/16/89/64/883168964.db2.gz OZDCJZYNVWEANJ-MEBBXXQBSA-N -1 3 393.802 3.549 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccc(C(F)F)o1 ZINC000860242911 884474433 /nfs/dbraw/zinc/47/44/33/884474433.db2.gz WSWHOFKLIODNFE-CYBMUJFWSA-N -1 3 384.810 3.971 20 10 GHCDHM CN(C)[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-])c1cccs1 ZINC000806299667 884543283 /nfs/dbraw/zinc/54/32/83/884543283.db2.gz DUMWSGOFFNBXTB-ZDUSSCGKSA-N -1 3 388.320 3.863 20 10 GHCDHM COC(=O)c1cnc(C2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)s1 ZINC000862474043 886397360 /nfs/dbraw/zinc/39/73/60/886397360.db2.gz LRHBFOLWNHLONX-UHFFFAOYSA-N -1 3 384.860 3.807 20 10 GHCDHM Cc1cc(C)cc(-n2ncc(CNCc3cc(Br)ccc3[O-])n2)c1 ZINC000809712786 887734087 /nfs/dbraw/zinc/73/40/87/887734087.db2.gz FDLFFUGPXLDFMA-UHFFFAOYSA-N -1 3 387.281 3.642 20 10 GHCDHM COc1ccc([C@@H]2CCCN2Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1OC ZINC000774826289 913626903 /nfs/dbraw/zinc/62/69/03/913626903.db2.gz MIEYLTGGJISXAH-HNNXBMFYSA-N -1 3 388.420 3.663 20 10 GHCDHM C[C@@H](NCc1cccc(Br)c1[O-])c1ncc(Br)cn1 ZINC000814301760 892529175 /nfs/dbraw/zinc/52/91/75/892529175.db2.gz DDZPXXNGMJUFJJ-MRVPVSSYSA-N -1 3 387.075 3.558 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCN(c3ncc(Cl)cc3Cl)CC2)c1[O-] ZINC000748051016 894606818 /nfs/dbraw/zinc/60/68/18/894606818.db2.gz NAGMNNBAIKWKFG-UHFFFAOYSA-N -1 3 398.265 3.758 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC(Oc3cncc(Cl)c3)CC2)c1[O-] ZINC000821279136 897784694 /nfs/dbraw/zinc/78/46/94/897784694.db2.gz JBACKLNBKAENGQ-UHFFFAOYSA-N -1 3 378.831 3.826 20 10 GHCDHM COc1c([O-])c(CN2CC(c3cccc(C(F)(F)F)c3)C2)ccc1[N+](=O)[O-] ZINC000825123635 899993501 /nfs/dbraw/zinc/99/35/01/899993501.db2.gz AZXSDXGCRZVMIR-UHFFFAOYSA-N -1 3 382.338 3.927 20 10 GHCDHM [O-]c1c(Br)cc(Br)cc1CN1CC[C@H](CCCO)C1 ZINC000825337246 900101103 /nfs/dbraw/zinc/10/11/03/900101103.db2.gz FIPZOBJCCBJTQS-JTQLQIEISA-N -1 3 393.119 3.512 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000778981770 902490620 /nfs/dbraw/zinc/49/06/20/902490620.db2.gz QQCSKMRUVKKGNP-OCCSQVGLSA-N -1 3 396.915 3.983 20 10 GHCDHM CCOC(=O)c1c(NC(=O)c2cccc(O)c2[O-])c(C)cn1Cc1ccccc1 ZINC001148212966 904008073 /nfs/dbraw/zinc/00/80/73/904008073.db2.gz SGRRKBLFPUXNMV-UHFFFAOYSA-N -1 3 394.427 3.685 20 10 GHCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC001148588057 904129144 /nfs/dbraw/zinc/12/91/44/904129144.db2.gz MQDYKTQJZJXKMJ-CYBMUJFWSA-N -1 3 383.322 3.679 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2c3cc(F)ccc3OC[C@H]2CCO)c1[O-] ZINC001171677975 904919557 /nfs/dbraw/zinc/91/95/57/904919557.db2.gz MZPHNKLKUQZVRJ-OAHLLOKOSA-N -1 3 379.815 3.537 20 10 GHCDHM CCOc1ccc(-c2cn(C3CN(Cc4c([O-])cccc4Cl)C3)nn2)cc1 ZINC000779614011 907889052 /nfs/dbraw/zinc/88/90/52/907889052.db2.gz SHXMBJQIRBEAJZ-UHFFFAOYSA-N -1 3 384.867 3.760 20 10 GHCDHM Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)c2cccc(O)c2[O-])c1 ZINC000193138701 908103018 /nfs/dbraw/zinc/10/30/18/908103018.db2.gz KBSTYVFWOSYISY-OAQYLSRUSA-N -1 3 377.440 3.782 20 10 GHCDHM CC(C)(C)OC(=O)Nc1cc(F)cc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC001176863507 908278274 /nfs/dbraw/zinc/27/82/74/908278274.db2.gz CLZNYRMUSXQUCP-UHFFFAOYSA-N -1 3 376.384 3.514 20 10 GHCDHM Cc1cc(-c2csc(NC(=O)c3cnn[n-]3)n2)c(C)n1-c1ccc(F)cc1 ZINC000194021371 908840724 /nfs/dbraw/zinc/84/07/24/908840724.db2.gz GNDCGBHYOKPEDE-UHFFFAOYSA-N -1 3 382.424 3.727 20 10 GHCDHM Cc1cc(-c2csc(NC(=O)c3c[n-]nn3)n2)c(C)n1-c1ccc(F)cc1 ZINC000194021371 908840735 /nfs/dbraw/zinc/84/07/35/908840735.db2.gz GNDCGBHYOKPEDE-UHFFFAOYSA-N -1 3 382.424 3.727 20 10 GHCDHM Cc1cc(-c2csc(NC(=O)c3cn[n-]n3)n2)c(C)n1-c1ccc(F)cc1 ZINC000194021371 908840753 /nfs/dbraw/zinc/84/07/53/908840753.db2.gz GNDCGBHYOKPEDE-UHFFFAOYSA-N -1 3 382.424 3.727 20 10 GHCDHM O=C1[C@H](NCc2c([O-])ccc(Cl)c2F)CCN1c1ccc(F)c(Cl)c1 ZINC001178344174 909007792 /nfs/dbraw/zinc/00/77/92/909007792.db2.gz YKGBUIVHOVGMIR-CQSZACIVSA-N -1 3 387.213 3.872 20 10 GHCDHM COc1ccc2c(c1)[C@@H](NCc1cc(Br)cc(F)c1[O-])CCO2 ZINC001178436747 909037311 /nfs/dbraw/zinc/03/73/11/909037311.db2.gz RNFVLOCQTZKLNM-HNNXBMFYSA-N -1 3 382.229 3.916 20 10 GHCDHM COc1ccc([N-]S(=O)(=O)CC2CC2)c(C(=O)c2ccc(Cl)cc2)c1 ZINC001188962017 916311591 /nfs/dbraw/zinc/31/15/91/916311591.db2.gz CTHMUMRZOHLPOI-UHFFFAOYSA-N -1 3 379.865 3.731 20 10 GHCDHM COc1c([O-])c(CNc2ccc(N(C(C)=O)[C@@H]3C[C@@H]3C)cc2)ccc1[N+](=O)[O-] ZINC000294225474 916661408 /nfs/dbraw/zinc/66/14/08/916661408.db2.gz YZTFFFCAGICNKN-KPZWWZAWSA-N -1 3 385.420 3.682 20 10 GHCDHM CC(C)(C)OC(=O)NC[C@]1(C)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000802655371 922311973 /nfs/dbraw/zinc/31/19/73/922311973.db2.gz VVZGQFOANBHSID-SFHVURJKSA-N -1 3 399.875 3.691 20 10 GHCDHM COc1c([O-])c(CN2CCc3nc(-c4ccccc4)sc3C2)ccc1[N+](=O)[O-] ZINC000827043885 924672881 /nfs/dbraw/zinc/67/28/81/924672881.db2.gz ACMDJHJCCYRPDZ-UHFFFAOYSA-N -1 3 397.456 3.991 20 10 GHCDHM COc1c([O-])c(CN[C@@H](c2ccc(C)cc2)c2ccccn2)ccc1[N+](=O)[O-] ZINC000373471599 926165181 /nfs/dbraw/zinc/16/51/81/926165181.db2.gz WOMMIVKNZCWSGC-IBGZPJMESA-N -1 3 379.416 3.892 20 10 GHCDHM COc1c([O-])c(CN[C@H](c2ccc(C)cc2)c2ccccn2)ccc1[N+](=O)[O-] ZINC000373471605 926165367 /nfs/dbraw/zinc/16/53/67/926165367.db2.gz WOMMIVKNZCWSGC-LJQANCHMSA-N -1 3 379.416 3.892 20 10 GHCDHM Cc1oc2c(ccc([O-])c2CN(C)C[C@H]2CCOC2)c(=O)c1-c1ccccc1 ZINC000749964537 927374997 /nfs/dbraw/zinc/37/49/97/927374997.db2.gz PKFDFKHTKLVKLK-MRXNPFEDSA-N -1 3 379.456 3.942 20 10 GHCDHM Cc1ccc(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)c([O-])c1O ZINC000780961068 930653190 /nfs/dbraw/zinc/65/31/90/930653190.db2.gz VDUXRXRCFDHFMO-UHFFFAOYSA-N -1 3 388.427 3.646 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCCN(c3nccs3)CC2)c1 ZINC000781903344 931019478 /nfs/dbraw/zinc/01/94/78/931019478.db2.gz ZJBQHESMUDREDB-UHFFFAOYSA-N -1 3 382.327 3.632 20 10 GHCDHM Cc1cnc(N2CCN(Cc3cc(C)cc(Br)c3[O-])CC2)s1 ZINC000781914004 931026669 /nfs/dbraw/zinc/02/66/69/931026669.db2.gz VQSNPOCJMSSMRV-UHFFFAOYSA-N -1 3 382.327 3.550 20 10 GHCDHM O=C1NCCN(Cc2cc(Cl)ccc2[O-])[C@@H]1c1ccccc1C(F)(F)F ZINC000781931563 931033957 /nfs/dbraw/zinc/03/39/57/931033957.db2.gz YDZPJQWFWXSPJQ-MRXNPFEDSA-N -1 3 384.785 3.738 20 10 GHCDHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(Cc1ccc(N(C)C)cc1C)CC2 ZINC001599466053 998362875 /nfs/dbraw/zinc/36/28/75/998362875.db2.gz VXYXZUPCEHFQAH-FQEVSTJZSA-N -1 3 398.503 3.652 20 10 GHCDHM CC/C=C\CCOC(=O)[C@@H](C)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227938934 1032705436 /nfs/dbraw/zinc/70/54/36/1032705436.db2.gz ZZPCEOJIUJHTRJ-FOSCPCJNSA-N -1 3 384.428 3.996 20 10 GHCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@H]1CCN(Cc2ccccc2)C1 ZINC001227937172 1032705866 /nfs/dbraw/zinc/70/58/66/1032705866.db2.gz DJILNLNUCGGLMZ-IBGZPJMESA-N -1 3 389.451 3.982 20 10 GHCDHM COc1ccc(N2CCN(Cc3cccc([O-])c3Br)CC2)cc1F ZINC001204389930 1032817189 /nfs/dbraw/zinc/81/71/89/1032817189.db2.gz PBYUHMYDXDETPB-UHFFFAOYSA-N -1 3 395.272 3.625 20 10 GHCDHM CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1c([O-])cccc1F)C1CCCCC1 ZINC001156170283 1032910921 /nfs/dbraw/zinc/91/09/21/1032910921.db2.gz JTXUYKBLTFGNAA-QGZVFWFLSA-N -1 3 380.460 3.621 20 10 GHCDHM COC(=O)CN(Cc1ccc(Cl)nc1Cl)Cc1cc(Cl)ccc1[O-] ZINC000801523260 1021404440 /nfs/dbraw/zinc/40/44/40/1021404440.db2.gz NFMITUNBZSJAIW-UHFFFAOYSA-N -1 3 389.666 3.923 20 10 GHCDHM CCn1ncc2c1CN(Cc1c([O-])cccc1Cl)C[C@@H]2COc1cccnc1 ZINC001140339466 1021446979 /nfs/dbraw/zinc/44/69/79/1021446979.db2.gz VGOKZNQVNFLQFN-OAHLLOKOSA-N -1 3 398.894 3.835 20 10 GHCDHM O=C(CCCN1CCN(Cc2c([O-])cccc2Cl)CC1)c1ccc(F)cc1 ZINC001140342710 1021455250 /nfs/dbraw/zinc/45/52/50/1021455250.db2.gz VIBXINVAUODCDY-UHFFFAOYSA-N -1 3 390.886 3.965 20 10 GHCDHM [O-]c1cc(Br)ccc1CN1CCc2c(cnn2-c2ccccc2)C1 ZINC001204675040 1033025524 /nfs/dbraw/zinc/02/55/24/1033025524.db2.gz XJUQPCOUIJWUMD-UHFFFAOYSA-N -1 3 384.277 3.899 20 10 GHCDHM C[C@@H](NCc1ccccc1S(=O)(=O)NC(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000756462823 1023664663 /nfs/dbraw/zinc/66/46/63/1023664663.db2.gz ANUAGIXUQZJOLK-GFCCVEGCSA-N -1 3 398.475 3.598 20 10 GHCDHM COc1ccccc1[C@@H](CO)N[C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756713101 1023784925 /nfs/dbraw/zinc/78/49/25/1023784925.db2.gz TYSLKGSDODDXLD-MEBBXXQBSA-N -1 3 384.245 3.687 20 10 GHCDHM C[C@@H](N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756778639 1023813106 /nfs/dbraw/zinc/81/31/06/1023813106.db2.gz OEZHXBRYPDAXMP-QLJPJBMISA-N -1 3 393.802 3.549 20 10 GHCDHM C[C@H](N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756865633 1023839502 /nfs/dbraw/zinc/83/95/02/1023839502.db2.gz TUVLJFRJLURCBH-QFYYESIMSA-N -1 3 393.802 3.549 20 10 GHCDHM CCOC(=O)CN(Cc1ccccc1)Cc1c([O-])cccc1Br ZINC001140098621 1026875222 /nfs/dbraw/zinc/87/52/22/1026875222.db2.gz IBNPOUBHTZRURZ-UHFFFAOYSA-N -1 3 378.266 3.720 20 10 GHCDHM O=C1[C@H](NCc2cc(F)cc(F)c2[O-])CCN1c1ccc(C(F)(F)F)cc1 ZINC001203356906 1027291694 /nfs/dbraw/zinc/29/16/94/1027291694.db2.gz FQJGNMZEYODZSH-OAHLLOKOSA-N -1 3 386.320 3.584 20 10 GHCDHM CC(C)N(C)Cc1cnc2n1CCN(Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001203579252 1027447669 /nfs/dbraw/zinc/44/76/69/1027447669.db2.gz PLQOIYXPFVYVRM-UHFFFAOYSA-N -1 3 383.323 3.752 20 10 GHCDHM Cc1cc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)cc(C)c1Br ZINC001215325296 1029153666 /nfs/dbraw/zinc/15/36/66/1029153666.db2.gz KXTAOCNZJXEQIK-UHFFFAOYSA-N -1 3 377.194 3.900 20 10 GHCDHM [O-]c1c(O)cc(-c2nc(-c3cc(F)c(F)cc3Br)no2)cc1O ZINC001215327494 1029155083 /nfs/dbraw/zinc/15/50/83/1029155083.db2.gz DIFIGDNWKZHCEC-UHFFFAOYSA-N -1 3 385.120 3.561 20 10 GHCDHM COC[C@H](NCc1cc(Br)cc(F)c1[O-])c1cccc(OC)c1 ZINC001461614722 1069641979 /nfs/dbraw/zinc/64/19/79/1069641979.db2.gz IOEAQMJOYTZPTH-INIZCTEOSA-N -1 3 384.245 3.780 20 10 GHCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ncsc1C1CC1 ZINC001150353954 1030501970 /nfs/dbraw/zinc/50/19/70/1030501970.db2.gz HNJIYGMLRIHMDF-HNNXBMFYSA-N -1 3 391.924 3.774 20 10 GHCDHM CCCOc1ccc(CNC(=O)NCc2c([O-])cccc2F)c(OC(F)F)c1 ZINC001223281058 1030505501 /nfs/dbraw/zinc/50/55/01/1030505501.db2.gz XUFQSJSLBZRGCG-UHFFFAOYSA-N -1 3 398.381 3.921 20 10 GHCDHM Cc1cc(C)c(CNC(=O)c2c[n-]c3ccc(C(F)(F)F)cc3c2=O)c(O)c1 ZINC001150476314 1030539495 /nfs/dbraw/zinc/53/94/95/1030539495.db2.gz FXEGZIRSTPGOSM-UHFFFAOYSA-N -1 3 390.361 3.799 20 10 GHCDHM C[C@@H](NCc1cc(Cl)cc(F)c1[O-])C(=O)Nc1cccc(N2CCCC2)c1 ZINC001207373004 1034315189 /nfs/dbraw/zinc/31/51/89/1034315189.db2.gz WTQOUGJZDWJKNY-CYBMUJFWSA-N -1 3 391.874 3.902 20 10 GHCDHM CC(C)(C)c1ccc(CN2CCN(Cc3cc(C(=O)[O-])ccc3O)CC2)cc1 ZINC001231563475 1034713296 /nfs/dbraw/zinc/71/32/96/1034713296.db2.gz ASDZQNOPIZFMDT-UHFFFAOYSA-N -1 3 382.504 3.706 20 10 GHCDHM O=C(Cc1ccc(Cl)cc1)N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001461926240 1069892467 /nfs/dbraw/zinc/89/24/67/1069892467.db2.gz JHNLQDKTPDSOMR-UHFFFAOYSA-N -1 3 379.287 3.586 20 10 GHCDHM Cc1cc([O-])c(CN2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)cc1Cl ZINC001231868951 1034956221 /nfs/dbraw/zinc/95/62/21/1034956221.db2.gz ZVHCOBLNKSOLKC-CEWLAPEOSA-N -1 3 388.895 3.698 20 10 GHCDHM CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(Cc3ccc4ccccc4c3[O-])[C@H]2C1 ZINC001231879594 1034963636 /nfs/dbraw/zinc/96/36/36/1034963636.db2.gz JPJUDXCZWNYLKU-PMACEKPBSA-N -1 3 398.503 3.756 20 10 GHCDHM COc1ccc(CN2CC[C@H](C)C[C@@H]2C)c([O-])c1I ZINC001248489988 1035911106 /nfs/dbraw/zinc/91/11/06/1035911106.db2.gz SSTYTAVLLMHRBM-QWRGUYRKSA-N -1 3 375.250 3.626 20 10 GHCDHM COc1cc([O-])c(CN2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1Cl ZINC001232269020 1037992158 /nfs/dbraw/zinc/99/21/58/1037992158.db2.gz YXFHSNRNNUISMG-OKILXGFUSA-N -1 3 382.888 3.638 20 10 GHCDHM COc1cc([O-])c(CN2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)cc1Cl ZINC001232270173 1037993459 /nfs/dbraw/zinc/99/34/59/1037993459.db2.gz WWPGMFIXGDBAIL-UHFFFAOYSA-N -1 3 384.904 3.886 20 10 GHCDHM CCOC(=O)c1sc(-c2ccc([O-])c(CN3C[C@@H](C)O[C@@H](C)C3)c2)nc1C ZINC001232451691 1038234487 /nfs/dbraw/zinc/23/44/87/1038234487.db2.gz VXZBNYKOCIZWNR-BETUJISGSA-N -1 3 390.505 3.610 20 10 GHCDHM COc1cccc2c1CN(Cc1ccc(I)cc1[O-])CC2 ZINC001232973904 1038745006 /nfs/dbraw/zinc/74/50/06/1038745006.db2.gz DRDPHNKEBIVUMN-UHFFFAOYSA-N -1 3 395.240 3.564 20 10 GHCDHM COc1cc([O-])c(CN2CC[C@@H]2COCc2ccccc2)cc1Br ZINC001233138773 1038918152 /nfs/dbraw/zinc/91/81/52/1038918152.db2.gz DCJYKTYMZXHKOV-MRXNPFEDSA-N -1 3 392.293 3.954 20 10 GHCDHM CCCOC[C@@H](C)Oc1c(C)cc2c(c1OC)C(=O)c1c([O-])cccc1C2=O ZINC001234131397 1039873395 /nfs/dbraw/zinc/87/33/95/1039873395.db2.gz OMGLQNWEEZRIMW-CYBMUJFWSA-N -1 3 384.428 3.679 20 10 GHCDHM CCOC(=O)c1nc2c(o1)CCN(Cc1cccc(-c3ccccc3)c1[O-])C2 ZINC001234996337 1040490099 /nfs/dbraw/zinc/49/00/99/1040490099.db2.gz AUZIYRXOXPFXCF-UHFFFAOYSA-N -1 3 378.428 3.782 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC(NC(=O)CC(C)(C)C)CC2)c1 ZINC001236668604 1041815625 /nfs/dbraw/zinc/81/56/25/1041815625.db2.gz CTPSZOLNODXOEV-UHFFFAOYSA-N -1 3 397.357 3.980 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC(Oc3nccc(C)n3)CC2)c1 ZINC001236669157 1041815989 /nfs/dbraw/zinc/81/59/89/1041815989.db2.gz GYPKUEUTNDMNFM-UHFFFAOYSA-N -1 3 392.297 3.605 20 10 GHCDHM COC(=O)[C@@H]1CN(Cc2cc(C)cc(Br)c2[O-])Cc2ccccc21 ZINC001236668714 1041816135 /nfs/dbraw/zinc/81/61/35/1041816135.db2.gz DWIQUXWDQCUQDH-MRXNPFEDSA-N -1 3 390.277 3.736 20 10 GHCDHM COc1cc([O-])c(CN2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)c(Cl)c1 ZINC001236797006 1041901603 /nfs/dbraw/zinc/90/16/03/1041901603.db2.gz ATTMVVCAYLCMBX-CYBMUJFWSA-N -1 3 384.904 3.886 20 10 GHCDHM COc1ccc(CN2C[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2)c([O-])c1Cl ZINC001236800997 1041902960 /nfs/dbraw/zinc/90/29/60/1041902960.db2.gz BEGKPOWOCPURDN-HIFRSBDPSA-N -1 3 396.915 3.886 20 10 GHCDHM COc1ccc(CN2CCC[C@@H](Oc3ncccc3OC)C2)c([O-])c1Cl ZINC001236806536 1041907104 /nfs/dbraw/zinc/90/71/04/1041907104.db2.gz BIZBBAVVOUBFNJ-CQSZACIVSA-N -1 3 378.856 3.501 20 10 GHCDHM COc1ccc(CN2CCCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c([O-])c1Cl ZINC001236808264 1041908880 /nfs/dbraw/zinc/90/88/80/1041908880.db2.gz WNAXAMSSSMJFNM-ZDUSSCGKSA-N -1 3 384.904 3.886 20 10 GHCDHM COc1ccc(CN2CCN(C[C@H](OC)c3ccccc3)CC2)c([O-])c1Cl ZINC001236808249 1041909078 /nfs/dbraw/zinc/90/90/78/1041909078.db2.gz WBMQLGKUKASXNG-IBGZPJMESA-N -1 3 390.911 3.560 20 10 GHCDHM O=C1C[C@]2(CN1CC(F)(F)F)CCCCN2Cc1c([O-])ccc(F)c1Cl ZINC001278023524 1041941758 /nfs/dbraw/zinc/94/17/58/1041941758.db2.gz ZCBOPAHPRWUJMJ-INIZCTEOSA-N -1 3 394.796 3.704 20 10 GHCDHM COc1cc([O-])c(CN2CCN(C)C[C@H]2c2ccccc2)c(Br)c1 ZINC001237058843 1042013719 /nfs/dbraw/zinc/01/37/19/1042013719.db2.gz BXOSAVUDSJEHIY-SFHVURJKSA-N -1 3 391.309 3.652 20 10 GHCDHM CCOC(=O)c1coc(C2CCN(Cc3c([O-])ccc(F)c3Cl)CC2)n1 ZINC001237128212 1042055146 /nfs/dbraw/zinc/05/51/46/1042055146.db2.gz MLXSNDQNKNLWFE-UHFFFAOYSA-N -1 3 382.819 3.729 20 10 GHCDHM Cc1cc([O-])c(CN2[C@@H](C(F)(F)F)CCC[C@H]2CO)cc1Br ZINC001237675812 1042317245 /nfs/dbraw/zinc/31/72/45/1042317245.db2.gz BNHWVONSPUAQRU-SMDDNHRTSA-N -1 3 382.220 3.741 20 10 GHCDHM [O-]c1c(I)cccc1CN1CCC[C@@H]1c1ccncc1 ZINC001237780953 1042365512 /nfs/dbraw/zinc/36/55/12/1042365512.db2.gz ZLCNTNFBEUNVFO-OAHLLOKOSA-N -1 3 380.229 3.729 20 10 GHCDHM COC(=O)[C@]1(C)CCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])C1 ZINC001237785331 1042368136 /nfs/dbraw/zinc/36/81/36/1042368136.db2.gz FWNOPVUOLMEPKD-CQSZACIVSA-N -1 3 396.203 3.559 20 10 GHCDHM [O-]c1c(Cl)cc(F)cc1CN1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001237799281 1042376415 /nfs/dbraw/zinc/37/64/15/1042376415.db2.gz GYRYKNJZMPUYDK-UHFFFAOYSA-N -1 3 394.874 3.645 20 10 GHCDHM CN(Cc1ccco1)[C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])[C@@H]2CCCO[C@H]12 ZINC001237938459 1042429607 /nfs/dbraw/zinc/42/96/07/1042429607.db2.gz ZAYKQQGEZDLKFU-GGPKGHCWSA-N -1 3 394.874 3.642 20 10 GHCDHM O=C1Nc2ccccc2C2(CCN(Cc3cc(F)c(Cl)cc3[O-])CC2)N1 ZINC001237949443 1042435137 /nfs/dbraw/zinc/43/51/37/1042435137.db2.gz LWBDKVKNDOALLN-UHFFFAOYSA-N -1 3 375.831 3.811 20 10 GHCDHM COc1cc(Br)c(Cl)cc1C(=O)NCc1c([O-])cccc1F ZINC001303875132 1047525865 /nfs/dbraw/zinc/52/58/65/1047525865.db2.gz AHZMBFGKKVPSHN-UHFFFAOYSA-N -1 3 388.620 3.886 20 10 GHCDHM Cc1ncsc1CN1CCC12CN(Cc1ccc(C(F)(F)F)cc1[O-])C2 ZINC001279513164 1047830150 /nfs/dbraw/zinc/83/01/50/1047830150.db2.gz AXRATKUYCUMBNC-UHFFFAOYSA-N -1 3 383.439 3.636 20 10 GHCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCCC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001279664057 1047903797 /nfs/dbraw/zinc/90/37/97/1047903797.db2.gz PRCZGOKJAPNXBH-UHFFFAOYSA-N -1 3 381.307 3.520 20 10 GHCDHM CC(C)NC(=O)N1CC2(C1)CCCN(Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001279676941 1047910463 /nfs/dbraw/zinc/91/04/63/1047910463.db2.gz SBWSEDDMQCGJRA-UHFFFAOYSA-N -1 3 386.323 3.715 20 10 GHCDHM Cc1ncsc1CN1CC2(C1)CN(Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001279676527 1047910554 /nfs/dbraw/zinc/91/05/54/1047910554.db2.gz GRTVFOXVSZRJLC-UHFFFAOYSA-N -1 3 384.332 3.782 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)Nc1ccnn1Cc1ccc(Cl)s1 ZINC001311263844 1051976540 /nfs/dbraw/zinc/97/65/40/1051976540.db2.gz ACQQTVGXDMNGDQ-UHFFFAOYSA-N -1 3 380.832 3.813 20 10 GHCDHM CCN1CCN(c2cccc(NC(=O)c3cccc(C(F)(F)F)c3[O-])c2)CC1 ZINC001448057191 1060092777 /nfs/dbraw/zinc/09/27/77/1060092777.db2.gz VCNPBFBLWFPPEU-UHFFFAOYSA-N -1 3 393.409 3.805 20 10 GHCDHM O=C(NCC1(c2ccc(Br)s2)CCC1)c1cccc(O)c1[O-] ZINC001449322726 1060380986 /nfs/dbraw/zinc/38/09/86/1060380986.db2.gz SAGJJGMIXRRMFZ-UHFFFAOYSA-N -1 3 382.279 3.774 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC001456083184 1062470883 /nfs/dbraw/zinc/47/08/83/1062470883.db2.gz DXXKNGFOPKPTRQ-CYBMUJFWSA-N -1 3 385.464 3.674 20 10 GHCDHM Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cc1 ZINC001456385638 1062652445 /nfs/dbraw/zinc/65/24/45/1062652445.db2.gz PJBBKQXOLRZLRT-LBPRGKRZSA-N -1 3 377.370 3.722 20 10 GHCDHM C[C@H](C1CC1)N(C)c1nnc(-c2sc3ncccc3c2[O-])n1C[C@H]1CCOC1 ZINC001348909998 1063394703 /nfs/dbraw/zinc/39/47/03/1063394703.db2.gz HKCFNWKERBJRBQ-CHWSQXEVSA-N -1 3 399.520 3.532 20 10 GHCDHM CC(C)n1cc(Br)c(C(=O)[N-]c2c3nonc3ccc2Cl)n1 ZINC001459790061 1064219068 /nfs/dbraw/zinc/21/90/68/1064219068.db2.gz UODHEOFGMICTBY-UHFFFAOYSA-N -1 3 384.621 3.668 20 10 GHCDHM CCOc1ccccc1CN1CCN(Cc2cc(F)cc(F)c2[O-])[C@H](C)C1 ZINC001474470154 1074420616 /nfs/dbraw/zinc/42/06/16/1074420616.db2.gz ARGZKKHLQPYOAT-OAHLLOKOSA-N -1 3 376.447 3.775 20 10 GHCDHM CN(Cc1nc(-c2cccs2)no1)Cc1c([O-])cccc1Br ZINC001474519721 1074446366 /nfs/dbraw/zinc/44/63/66/1074446366.db2.gz RFPMSHXKNBFIFM-UHFFFAOYSA-N -1 3 380.267 3.898 20 10 GHCDHM COc1ccccc1NC(=O)c1c(C)[nH]nc1NCc1cc(F)c(F)cc1[O-] ZINC001474750396 1074544717 /nfs/dbraw/zinc/54/47/17/1074544717.db2.gz NBAICFJLGOMNQO-UHFFFAOYSA-N -1 3 388.374 3.575 20 10 GHCDHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H](C)c1ccccc1O ZINC001475585980 1074921307 /nfs/dbraw/zinc/92/13/07/1074921307.db2.gz QYUHNXVBVPRMND-VIFPVBQESA-N -1 3 376.297 3.564 20 10 GHCDHM Fc1ccc2c(C3=CCN(c4ccc(-c5nn[n-]n5)cc4F)CC3)c[nH]c2c1 ZINC000737656110 598240028 /nfs/dbraw/zinc/24/00/28/598240028.db2.gz IRSRKXKAWTZPSL-UHFFFAOYSA-N -1 3 378.386 3.920 20 10 GHCDHM Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)cc2F)SC1=S ZINC000822361661 607461958 /nfs/dbraw/zinc/46/19/58/607461958.db2.gz FBXSGQOZXYACMC-DHDCSXOGSA-N -1 3 397.460 3.720 20 10 GHCDHM Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)cc2F)SC1=S ZINC000822361661 607461960 /nfs/dbraw/zinc/46/19/60/607461960.db2.gz FBXSGQOZXYACMC-DHDCSXOGSA-N -1 3 397.460 3.720 20 10 GHCDHM Clc1ccc(C2=CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CC2)cn1 ZINC000826351314 608295977 /nfs/dbraw/zinc/29/59/77/608295977.db2.gz IDEHPAAZOVZWFZ-UHFFFAOYSA-N -1 3 389.850 3.757 20 10 GHCDHM Clc1ccc(C2=CCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)cn1 ZINC000826351314 608295979 /nfs/dbraw/zinc/29/59/79/608295979.db2.gz IDEHPAAZOVZWFZ-UHFFFAOYSA-N -1 3 389.850 3.757 20 10 GHCDHM COCCOc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1Cl ZINC000278568194 835425244 /nfs/dbraw/zinc/42/52/44/835425244.db2.gz CGYBSLMDVDXBOP-UHFFFAOYSA-N -1 3 382.800 3.600 20 10 GHCDHM CSc1ccccc1NC(=O)CN(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000177246148 837956768 /nfs/dbraw/zinc/95/67/68/837956768.db2.gz DLQKWRZDYJABOU-UHFFFAOYSA-N -1 3 376.453 3.526 20 10 GHCDHM CN(Cc1ncnn1CC(F)F)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000782978517 838586684 /nfs/dbraw/zinc/58/66/84/838586684.db2.gz FXHJLELTUOWXSN-UHFFFAOYSA-N -1 3 376.407 3.506 20 10 GHCDHM CN(C(=O)Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1)c1ccccc1 ZINC000192987866 841859144 /nfs/dbraw/zinc/85/91/44/841859144.db2.gz JUERBWAIYHSDHB-UHFFFAOYSA-N -1 3 376.412 3.556 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(CCC(=O)N3CCCC3)cc2)c1 ZINC000273476714 847349808 /nfs/dbraw/zinc/34/98/08/847349808.db2.gz KYJCTSZTYYVTMD-INIZCTEOSA-N -1 3 396.487 3.907 20 10 GHCDHM [O-]c1c(Br)cccc1CNCc1nc(-c2ccncc2)cs1 ZINC000733331581 862873173 /nfs/dbraw/zinc/87/31/73/862873173.db2.gz DAVYOPPBQRYKCW-UHFFFAOYSA-N -1 3 376.279 3.963 20 10 GHCDHM CC(C)(C)OC(=O)NCc1nc2c(s1)CCN(Cc1cc(F)ccc1[O-])C2 ZINC000895599452 859696586 /nfs/dbraw/zinc/69/65/86/859696586.db2.gz KOROFZLUOLESGZ-UHFFFAOYSA-N -1 3 393.484 3.571 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC(CO)(C(F)(F)F)CC2)c1 ZINC000897037144 864328759 /nfs/dbraw/zinc/32/87/59/864328759.db2.gz HIOXIJLBVPFVOJ-UHFFFAOYSA-N -1 3 382.220 3.600 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)c1[O-] ZINC000183169502 866315576 /nfs/dbraw/zinc/31/55/76/866315576.db2.gz BPBTXXCZWMTKFT-UHFFFAOYSA-N -1 3 385.361 3.786 20 10 GHCDHM O=C1CN(Cc2ccc(OCc3ccccc3)cc2)[C@H](c2cc(F)ccc2[O-])N1 ZINC000920405691 882083097 /nfs/dbraw/zinc/08/30/97/882083097.db2.gz FKHLZYRFQGRZGI-HSZRJFAPSA-N -1 3 392.430 3.741 20 10 GHCDHM Cc1coc(C[N-]S(=O)(=O)c2ccc(/N=N/c3ccc(N(C)C)cc3)cc2)n1 ZINC001194187481 871544943 /nfs/dbraw/zinc/54/49/43/871544943.db2.gz GMZHRDPGLYMMJA-GHVJWSGMSA-N -1 3 399.476 3.943 20 10 GHCDHM O=C(NCCc1cccs1)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775665574 872516810 /nfs/dbraw/zinc/51/68/10/872516810.db2.gz TYAWXNTXNWLPGI-UHFFFAOYSA-N -1 3 396.915 3.817 20 10 GHCDHM O=C(CC1CCCC1)N1CCCN(Cc2cccc(Br)c2[O-])CC1 ZINC000768251573 873191106 /nfs/dbraw/zinc/19/11/06/873191106.db2.gz PIMXDBRXVFDSQN-UHFFFAOYSA-N -1 3 395.341 3.769 20 10 GHCDHM [O-]c1cccc(Cl)c1CN1CCN(c2ccc(Br)cn2)CC1 ZINC000768251908 873191207 /nfs/dbraw/zinc/19/12/07/873191207.db2.gz BNIWHUNTTHRKRO-UHFFFAOYSA-N -1 3 382.689 3.525 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCC(O)(Cc3ccc(F)cc3)CC2)c1[O-] ZINC000775741833 873334208 /nfs/dbraw/zinc/33/42/08/873334208.db2.gz QBBMBKGOEQZXSZ-UHFFFAOYSA-N -1 3 391.870 3.957 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cnn(-c2cccc(F)c2)c1 ZINC001197072129 873578790 /nfs/dbraw/zinc/57/87/90/873578790.db2.gz DZNHJTRZXLQMTR-UHFFFAOYSA-N -1 3 396.809 3.849 20 10 GHCDHM C[C@@H]1CN(Cc2cccc(Br)c2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000769422384 874040770 /nfs/dbraw/zinc/04/07/70/874040770.db2.gz BLTXTBIJQSBWLS-DOMZBBRYSA-N -1 3 399.329 3.890 20 10 GHCDHM CC(C)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1Cl ZINC000769859739 874308198 /nfs/dbraw/zinc/30/81/98/874308198.db2.gz SXOQLCLWUSOVHE-KRWDZBQOSA-N -1 3 396.896 3.544 20 10 GHCDHM [O-]c1c(CNC(=S)Nc2ccc3c(c2)OCO3)cc(Cl)c2cccnc12 ZINC001198307960 874369941 /nfs/dbraw/zinc/36/99/41/874369941.db2.gz IHPCLPGCMUNQOY-UHFFFAOYSA-N -1 3 387.848 3.809 20 10 GHCDHM CCc1cc(C)c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)o1 ZINC000771057386 875014457 /nfs/dbraw/zinc/01/44/57/875014457.db2.gz IQVLDQDINIABJH-INIZCTEOSA-N -1 3 376.884 3.904 20 10 GHCDHM CC(=O)N1CCc2cc(NCc3cc(C)cc(Br)c3[O-])ccc21 ZINC001199514177 875031152 /nfs/dbraw/zinc/03/11/52/875031152.db2.gz AOKVVFGBLCKAPH-UHFFFAOYSA-N -1 3 375.266 3.984 20 10 GHCDHM Cc1cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])nn1CC1CCC1 ZINC001199580976 875055615 /nfs/dbraw/zinc/05/56/15/875055615.db2.gz ANRSTGUPKYZWKB-UHFFFAOYSA-N -1 3 384.867 3.829 20 10 GHCDHM CS[C@H](C(N)=O)c1cccc(C(=O)c2ccccc2)c1Nc1cncc([O-])c1 ZINC001201641166 875810852 /nfs/dbraw/zinc/81/08/52/875810852.db2.gz LTWYDXRCVPORCT-FQEVSTJZSA-N -1 3 393.468 3.651 20 10 GHCDHM COC(=O)CN(Cc1ncc(-c2ccccc2)o1)Cc1cc(Cl)ccc1[O-] ZINC000109779794 877430474 /nfs/dbraw/zinc/43/04/74/877430474.db2.gz XXKHLESNVBMUTQ-UHFFFAOYSA-N -1 3 386.835 3.876 20 10 GHCDHM C[C@@H](NC(c1ccnn1C)c1ccnn1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000858587061 883216221 /nfs/dbraw/zinc/21/62/21/883216221.db2.gz ZTQBBALTRFTSQV-SNVBAGLBSA-N -1 3 380.279 3.606 20 10 GHCDHM COC(=O)CN(Cc1cccnc1C(F)(F)F)Cc1cc(Cl)ccc1[O-] ZINC000859189050 883647344 /nfs/dbraw/zinc/64/73/44/883647344.db2.gz KYWFPIORVRXWET-UHFFFAOYSA-N -1 3 388.773 3.635 20 10 GHCDHM CCCCN1CC[C@]2(CCCN2Cc2cc(Br)ccc2[O-])C1=O ZINC001275242046 912816375 /nfs/dbraw/zinc/81/63/75/912816375.db2.gz QJKKWENYBUEIFQ-GOSISDBHSA-N -1 3 381.314 3.522 20 10 GHCDHM CCOC(=O)CC(C)(C)CC(=O)C([O-])=Cc1coc(-c2ccc(F)cc2)n1 ZINC000808094341 886012297 /nfs/dbraw/zinc/01/22/97/886012297.db2.gz KWXVYKLIVFWCOH-UHFFFAOYSA-N -1 3 375.396 3.531 20 10 GHCDHM CCOC(=O)c1cc2cc(S(=O)(=O)[N-]c3ccc(O)cc3C)ccc2s1 ZINC000794590469 887602037 /nfs/dbraw/zinc/60/20/37/887602037.db2.gz RGYCBSQBMHTBHI-UHFFFAOYSA-N -1 3 391.470 3.893 20 10 GHCDHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)cc1Cl ZINC000811704154 889877815 /nfs/dbraw/zinc/87/78/15/889877815.db2.gz AMUCYOSLFGKABG-UHFFFAOYSA-N -1 3 385.869 3.780 20 10 GHCDHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)c(C)c1F ZINC000811704205 889877952 /nfs/dbraw/zinc/87/79/52/889877952.db2.gz BMZDZKCNYQAZID-UHFFFAOYSA-N -1 3 383.441 3.574 20 10 GHCDHM CS(=O)(=O)Nc1cccc(NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001168522641 891032044 /nfs/dbraw/zinc/03/20/44/891032044.db2.gz HEUHBNTYGUMYTG-UHFFFAOYSA-N -1 3 377.853 3.577 20 10 GHCDHM CCCN1C(=O)c2ccccc2N[C@H]1c1cc(O)cc(Br)c1[O-] ZINC000917500704 892069927 /nfs/dbraw/zinc/06/99/27/892069927.db2.gz GBXRWGIJVBIASA-MRXNPFEDSA-N -1 3 377.238 3.837 20 10 GHCDHM C[C@H](NCc1cc(Br)ccc1[O-])c1ncc(Br)cn1 ZINC000814301989 892527519 /nfs/dbraw/zinc/52/75/19/892527519.db2.gz LPYLYHBOMKVUKW-QMMMGPOBSA-N -1 3 387.075 3.558 20 10 GHCDHM Cn1c(CNCc2cccc(Br)c2[O-])nc2cc(Cl)ccc21 ZINC000778203077 893289266 /nfs/dbraw/zinc/28/92/66/893289266.db2.gz ZESAZDHDHCTKOP-UHFFFAOYSA-N -1 3 380.673 3.985 20 10 GHCDHM C[C@@H]1CN(c2ccc(CNCc3c(F)ccc([O-])c3F)cc2F)C[C@H](C)O1 ZINC000816535983 894905743 /nfs/dbraw/zinc/90/57/43/894905743.db2.gz ILDBIGMMMMHIRI-BETUJISGSA-N -1 3 380.410 3.713 20 10 GHCDHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000816921837 895181229 /nfs/dbraw/zinc/18/12/29/895181229.db2.gz IMNNZQAENXVKHE-KRWDZBQOSA-N -1 3 395.377 3.938 20 10 GHCDHM CC[C@@H](C)CO[N-]C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000816979996 895237502 /nfs/dbraw/zinc/23/75/02/895237502.db2.gz CIVMNNOZGDTXGN-XTCQQWIJSA-N -1 3 398.575 3.823 20 10 GHCDHM COc1c([O-])c(CNc2cc(F)c(N3CCCC3)c(F)c2)ccc1[N+](=O)[O-] ZINC000774925810 914091932 /nfs/dbraw/zinc/09/19/32/914091932.db2.gz ATEQOOSKXMEDEE-UHFFFAOYSA-N -1 3 379.363 3.800 20 10 GHCDHM CC[C@@H]1[C@H](CO)CCN1Cc1cc(Br)cc(Br)c1[O-] ZINC000824636231 899729754 /nfs/dbraw/zinc/72/97/54/899729754.db2.gz MRACAGXQKVWGFM-TVQRCGJNSA-N -1 3 393.119 3.510 20 10 GHCDHM COc1cccc([C@H]2CN(Cc3ccc(Br)cc3[O-])CCO2)c1 ZINC000824708971 899778880 /nfs/dbraw/zinc/77/88/80/899778880.db2.gz IZLJBBWCCJEBSE-GOSISDBHSA-N -1 3 378.266 3.737 20 10 GHCDHM Cc1cccnc1O[C@H]1CCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144307809 901698816 /nfs/dbraw/zinc/69/88/16/901698816.db2.gz CJUKAPVTKUWFIV-ZDUSSCGKSA-N -1 3 381.245 3.651 20 10 GHCDHM Cc1cc(=O)[n-]c(CNC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)n1 ZINC001144556661 902372945 /nfs/dbraw/zinc/37/29/45/902372945.db2.gz WUYVXOXEPPSNJO-UHFFFAOYSA-N -1 3 390.447 3.902 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](Cc2ccccc2)c2nccn2C)c1 ZINC000846206540 902755973 /nfs/dbraw/zinc/75/59/73/902755973.db2.gz DIXNPVIXXHURMH-DNVCBOLYSA-N -1 3 379.460 3.547 20 10 GHCDHM COC(=O)c1cccc(-c2cccc(NC(=O)c3cc(O)c([O-])c(O)c3)c2)c1 ZINC001148586410 904127464 /nfs/dbraw/zinc/12/74/64/904127464.db2.gz OEVRGDOJKLDWGS-UHFFFAOYSA-N -1 3 379.368 3.509 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c1[O-] ZINC001175562004 907638211 /nfs/dbraw/zinc/63/82/11/907638211.db2.gz ZNQIAPQOUDBKQD-MSOLQXFVSA-N -1 3 392.471 3.708 20 10 GHCDHM COc1cccc(-c2noc([C@H](C)NCc3cc(F)cc(C(C)=O)c3[O-])n2)c1 ZINC000185125636 907717328 /nfs/dbraw/zinc/71/73/28/907717328.db2.gz DIJQANHWXDIMDE-NSHDSACASA-N -1 3 385.395 3.643 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])C1=NO[C@@H](c2ccccc2)C1 ZINC001178807428 909238165 /nfs/dbraw/zinc/23/81/65/909238165.db2.gz IXUFNSLKPPREJZ-QGZVFWFLSA-N -1 3 381.819 3.728 20 10 GHCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CCN(c2ccccc2)C1 ZINC001180262246 910053196 /nfs/dbraw/zinc/05/31/96/910053196.db2.gz OPIZZEMSRVNGHS-INIZCTEOSA-N -1 3 388.895 3.547 20 10 GHCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CCN(c2ccccc2)C1 ZINC001180262247 910053758 /nfs/dbraw/zinc/05/37/58/910053758.db2.gz OPIZZEMSRVNGHS-MRXNPFEDSA-N -1 3 388.895 3.547 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN(Cc2ccc(-n3cncn3)cc2)C2CC2)c1[O-] ZINC000801972512 921711161 /nfs/dbraw/zinc/71/11/61/921711161.db2.gz SQBMBZDASKSZJT-UHFFFAOYSA-N -1 3 396.878 3.994 20 10 GHCDHM CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)Cc1cc(Cl)ccc1[O-] ZINC001203663729 915334237 /nfs/dbraw/zinc/33/42/37/915334237.db2.gz FZLCCULGERILIE-UHFFFAOYSA-N -1 3 385.888 3.531 20 10 GHCDHM Cn1c(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])ccc1C(F)(F)F ZINC001188369215 915911090 /nfs/dbraw/zinc/91/10/90/915911090.db2.gz ZMRAYCXBHKMRRA-UHFFFAOYSA-N -1 3 383.757 3.881 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cccc(-c2cccnc2)n1 ZINC001192194124 918487605 /nfs/dbraw/zinc/48/76/05/918487605.db2.gz JTLGNZIBAIAGPF-UHFFFAOYSA-N -1 3 390.830 3.981 20 10 GHCDHM CC[C@H]([NH2+][C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000903399189 922989757 /nfs/dbraw/zinc/98/97/57/922989757.db2.gz VVSRFIBMQQXILW-GWCFXTLKSA-N -1 3 383.279 3.514 20 10 GHCDHM CC(=O)c1cc(F)cc(CN(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)c1[O-] ZINC000750819584 927871819 /nfs/dbraw/zinc/87/18/19/927871819.db2.gz RHSSPDAPPOKCET-UHFFFAOYSA-N -1 3 383.423 3.793 20 10 GHCDHM COCCOc1c(Cl)cc(NC(=O)c2ccc(C)c(O)c2[O-])cc1Cl ZINC000781013529 930671550 /nfs/dbraw/zinc/67/15/50/930671550.db2.gz MQHCVFPLSPYEKX-UHFFFAOYSA-N -1 3 386.231 3.991 20 10 GHCDHM C[C@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])c1ccc(NC(=O)NC2CC2)cc1 ZINC001593195282 994146991 /nfs/dbraw/zinc/14/69/91/994146991.db2.gz CWEJJLKRBBZCHR-STQMWFEESA-N -1 3 383.448 3.786 20 10 GHCDHM C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593248183 994469931 /nfs/dbraw/zinc/46/99/31/994469931.db2.gz SWVBTEQEMFZMGO-STQMWFEESA-N -1 3 397.393 3.611 20 10 GHCDHM COc1cc(O[C@@H](C)C2CCOCC2)c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O ZINC001227394605 1032402716 /nfs/dbraw/zinc/40/27/16/1032402716.db2.gz CYTPUAYLVSDZMS-ZDUSSCGKSA-N -1 3 396.439 3.679 20 10 GHCDHM C[C@H]1[C@H](Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)CN1C(=O)OC(C)(C)C ZINC001227940590 1032707243 /nfs/dbraw/zinc/70/72/43/1032707243.db2.gz MXIUNZCGSUKSGR-SUMWQHHRSA-N -1 3 399.443 3.715 20 10 GHCDHM [O-]c1cc(Cl)ccc1CN1CCCn2cnc(COc3cccnc3)c2C1 ZINC001140464995 1021757969 /nfs/dbraw/zinc/75/79/69/1021757969.db2.gz HDTNXCUEBQEWKN-UHFFFAOYSA-N -1 3 384.867 3.622 20 10 GHCDHM O=S1(=O)CCN(Cc2cc3oc4ccccc4c3cc2[O-])[C@H]2CCCC[C@@H]21 ZINC000754011628 1022421863 /nfs/dbraw/zinc/42/18/63/1022421863.db2.gz KPHCPRJRERQNRV-UWJYYQICSA-N -1 3 385.485 3.833 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccc(F)cc2Br)c1 ZINC000756450888 1023657882 /nfs/dbraw/zinc/65/78/82/1023657882.db2.gz VAHNLXKUHJPRFR-SNVBAGLBSA-N -1 3 382.229 3.931 20 10 GHCDHM COc1ccc(N[C@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1[N-]S(C)(=O)=O ZINC000756869393 1023840882 /nfs/dbraw/zinc/84/08/82/1023840882.db2.gz VJKXQAPNQMRQAK-YGRLFVJLSA-N -1 3 380.441 3.572 20 10 GHCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCN([C@@H](C)c2ccccc2)CC1 ZINC001139129340 1025941716 /nfs/dbraw/zinc/94/17/16/1025941716.db2.gz WOSSTRXBWYRNRW-KRWDZBQOSA-N -1 3 378.472 3.686 20 10 GHCDHM CCOc1cccc(N2CCN(Cc3c([O-])ccc4c(C)cc(=O)oc43)CC2)c1 ZINC001139130926 1025943725 /nfs/dbraw/zinc/94/37/25/1025943725.db2.gz JZNZCCSOJWTIRW-UHFFFAOYSA-N -1 3 394.471 3.528 20 10 GHCDHM Cc1ccc(N2C[C@@]3(CCN(Cc4c(F)ccc(F)c4[O-])C3)CC2=O)s1 ZINC001139684799 1026538797 /nfs/dbraw/zinc/53/87/97/1026538797.db2.gz QIDBOVJZCGNKIM-IBGZPJMESA-N -1 3 378.444 3.669 20 10 GHCDHM C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1Cc1c([O-])cccc1Br ZINC001140098524 1026874458 /nfs/dbraw/zinc/87/44/58/1026874458.db2.gz CUPDZBVLWDEJDN-ZDUSSCGKSA-N -1 3 399.329 3.986 20 10 GHCDHM CCOC[C@H]1CN(Cc2cc(Cl)ccc2[O-])Cc2cnn(CC3CC3)c21 ZINC001203659720 1027516934 /nfs/dbraw/zinc/51/69/34/1027516934.db2.gz YZTYOBIDKQIUGI-QGZVFWFLSA-N -1 3 375.900 3.788 20 10 GHCDHM Cc1cc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)cc(C)c1Br ZINC001215327559 1029154997 /nfs/dbraw/zinc/15/49/97/1029154997.db2.gz IGLMVUJFBQQSAM-UHFFFAOYSA-N -1 3 377.194 3.900 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccn(-c3ccccc3C(F)(F)F)n2)c([O-])c1O ZINC001142636730 1029189936 /nfs/dbraw/zinc/18/99/36/1029189936.db2.gz IXVLMIFTVOQPFR-UHFFFAOYSA-N -1 3 377.322 3.863 20 10 GHCDHM COc1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(Br)cc1O ZINC000842930229 1029694891 /nfs/dbraw/zinc/69/48/91/1029694891.db2.gz FLPTUUUPGXSRRL-VIFPVBQESA-N -1 3 397.225 3.628 20 10 GHCDHM O=C1N(CC2CCCC2)CC[C@]12CCCN2Cc1cc(F)c(Cl)cc1[O-] ZINC001276967941 1030981950 /nfs/dbraw/zinc/98/19/50/1030981950.db2.gz VYAJDNAMRDZKQK-HXUWFJFHSA-N -1 3 380.891 3.942 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccc2[nH]c(=S)[nH]c2c1 ZINC001152289036 1031174462 /nfs/dbraw/zinc/17/44/62/1031174462.db2.gz HXAMVSASGRGFNC-UHFFFAOYSA-N -1 3 384.848 3.689 20 10 GHCDHM O=C1c2cccc(OC[C@H]3CC[C@@]4(CCCCO4)O3)c2C(=O)c2cccc([O-])c21 ZINC001229191514 1033332581 /nfs/dbraw/zinc/33/25/81/1033332581.db2.gz BKHRHKLYGZAFDJ-QKFKETGDSA-N -1 3 394.423 3.622 20 10 GHCDHM [O-]c1c(CNc2ncnc3cc4c(cc32)OCCO4)cc(Cl)c2cccnc12 ZINC001157723769 1033740254 /nfs/dbraw/zinc/74/02/54/1033740254.db2.gz CBGOLIJKKKPJPL-UHFFFAOYSA-N -1 3 394.818 3.920 20 10 GHCDHM CN(C(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccc(Br)cc2[O-])C1 ZINC001461911889 1069875056 /nfs/dbraw/zinc/87/50/56/1069875056.db2.gz REYAMURWFUYPKA-HNNXBMFYSA-N -1 3 399.329 3.986 20 10 GHCDHM COC(=O)[C@@H]1[C@H](c2ccccc2)OCCN1Cc1ccc2ccccc2c1[O-] ZINC001231882934 1034966644 /nfs/dbraw/zinc/96/66/44/1034966644.db2.gz DJMJACIDLNXJAG-UNMCSNQZSA-N -1 3 377.440 3.661 20 10 GHCDHM CC(C)(C)OC(=O)N1CCO[C@@]2(CCCN(Cc3cccc(Cl)c3[O-])C2)C1 ZINC001231910752 1034985704 /nfs/dbraw/zinc/98/57/04/1034985704.db2.gz RVIYRTBNEPDPDP-HXUWFJFHSA-N -1 3 396.915 3.648 20 10 GHCDHM COc1ccc(CN2CCC(C(C)C)CC2)c([O-])c1I ZINC001248494477 1035914353 /nfs/dbraw/zinc/91/43/53/1035914353.db2.gz XZQCTISYHDNJDS-UHFFFAOYSA-N -1 3 389.277 3.873 20 10 GHCDHM CC(C)(C)c1cc([O-])c(CN2CCn3cc(Cn4cccn4)nc3C2)cc1Cl ZINC001248882395 1036222799 /nfs/dbraw/zinc/22/27/99/1036222799.db2.gz IGBFXAIOEIDUDV-UHFFFAOYSA-N -1 3 399.926 3.800 20 10 GHCDHM COc1cc([O-])c(CN2CCc3ncc(Br)cc3C2)cc1Cl ZINC001232269926 1037994130 /nfs/dbraw/zinc/99/41/30/1037994130.db2.gz NXBIZZFZNHWYDQ-UHFFFAOYSA-N -1 3 383.673 3.770 20 10 GHCDHM CCOC(=O)c1sc(-c2ccc([O-])c(CN3C[C@H](C)O[C@@H](C)C3)c2)nc1C ZINC001232451700 1038234859 /nfs/dbraw/zinc/23/48/59/1038234859.db2.gz VXZBNYKOCIZWNR-STQMWFEESA-N -1 3 390.505 3.610 20 10 GHCDHM Cc1cc([C@H]2CCCN2Cc2ccc(I)cc2[O-])no1 ZINC001232974233 1038746275 /nfs/dbraw/zinc/74/62/75/1038746275.db2.gz IWYOAJSKQVXUKX-CQSZACIVSA-N -1 3 384.217 3.630 20 10 GHCDHM O=C(c1cccs1)N1CCC[C@@]2(CCN(Cc3c([O-])ccc(F)c3F)C2)C1 ZINC001233333236 1039129633 /nfs/dbraw/zinc/12/96/33/1039129633.db2.gz OPVYQZCAGSWIJS-FQEVSTJZSA-N -1 3 392.471 3.860 20 10 GHCDHM CC[C@@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1ccc(OC)c(Cl)c1[O-] ZINC001277833331 1039870783 /nfs/dbraw/zinc/87/07/83/1039870783.db2.gz HYWYJCYEMPBWDS-VLIAUNLRSA-N -1 3 380.916 3.810 20 10 GHCDHM CC(C)OCc1nnc2n1CCN(Cc1cccc(-c3ccccc3)c1[O-])C2 ZINC001234988497 1040485976 /nfs/dbraw/zinc/48/59/76/1040485976.db2.gz OEBRIEHJDVBBPT-UHFFFAOYSA-N -1 3 378.476 3.592 20 10 GHCDHM CCOC(=O)C[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C[C@H]1C ZINC001235074483 1040563538 /nfs/dbraw/zinc/56/35/38/1040563538.db2.gz IJQXCELVXCDZFP-NEPJUHHUSA-N -1 3 388.277 3.705 20 10 GHCDHM COc1cc([O-])c(CN2CC3(C2)CCCN3C(=O)OC(C)(C)C)c(Cl)c1 ZINC001236795696 1041900773 /nfs/dbraw/zinc/90/07/73/1041900773.db2.gz NOSPPSNNFPJHPI-UHFFFAOYSA-N -1 3 382.888 3.640 20 10 GHCDHM COc1cc([O-])c(CN2CCN(C(=O)OC(C)(C)C)CC23CC3)c(Cl)c1 ZINC001236798321 1041901784 /nfs/dbraw/zinc/90/17/84/1041901784.db2.gz NGYIQYFUHGTHAP-UHFFFAOYSA-N -1 3 382.888 3.640 20 10 GHCDHM COc1cc([O-])c(CN2CCCn3cnc(COCC4CC4)c3C2)c(Cl)c1 ZINC001236798441 1041902411 /nfs/dbraw/zinc/90/24/11/1041902411.db2.gz UJJJXDVETFGENG-UHFFFAOYSA-N -1 3 391.899 3.583 20 10 GHCDHM COc1ccc(CN2C[C@H](NC(=O)OC(C)(C)C)C[C@H](C)C2)c([O-])c1Cl ZINC001236808348 1041908851 /nfs/dbraw/zinc/90/88/51/1041908851.db2.gz XIWQJSVRQMGTGD-GXTWGEPZSA-N -1 3 384.904 3.789 20 10 GHCDHM COc1ccc(CN2CCC(N3Cc4ccccc4C3=O)CC2)c([O-])c1Cl ZINC001236809281 1041909379 /nfs/dbraw/zinc/90/93/79/1041909379.db2.gz KRUNBOWMPYNURZ-UHFFFAOYSA-N -1 3 386.879 3.675 20 10 GHCDHM COc1cccc(OC2CCN(Cc3ccc(OC)c(Cl)c3[O-])CC2)n1 ZINC001236810241 1041910295 /nfs/dbraw/zinc/91/02/95/1041910295.db2.gz QBBPPHUKCRCTJC-UHFFFAOYSA-N -1 3 378.856 3.501 20 10 GHCDHM COc1cc([O-])c(CN(C)Cc2cnc(Cl)s2)c(Br)c1 ZINC001237058974 1042014595 /nfs/dbraw/zinc/01/45/95/1042014595.db2.gz DLYSVEYLSRJSIV-UHFFFAOYSA-N -1 3 377.691 3.905 20 10 GHCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001237079554 1042026026 /nfs/dbraw/zinc/02/60/26/1042026026.db2.gz LZXLEVCGUABQTM-LIRRHRJNSA-N -1 3 395.286 3.906 20 10 GHCDHM Cc1cc([O-])c(CN2CCO[C@@H](COc3ccccc3)C2)cc1Br ZINC001237683430 1042323436 /nfs/dbraw/zinc/32/34/36/1042323436.db2.gz ZQMSLBROSYQWEV-QGZVFWFLSA-N -1 3 392.293 3.743 20 10 GHCDHM COc1cc2c(cc1OC)CN(Cc1cc(Br)c(C)cc1[O-])C2 ZINC001237683513 1042324285 /nfs/dbraw/zinc/32/42/85/1042324285.db2.gz BWKLUAQSTVAEOP-UHFFFAOYSA-N -1 3 378.266 3.996 20 10 GHCDHM COC(=O)c1ccc2c(c1)CN(Cc1cc(Br)c(C)cc1[O-])C2 ZINC001237685986 1042326496 /nfs/dbraw/zinc/32/64/96/1042326496.db2.gz SFVZQCWZBXCSMF-UHFFFAOYSA-N -1 3 376.250 3.766 20 10 GHCDHM O=S(=O)([N-]c1ccc([C@@H]2CC[NH2+]C2)cc1)c1cc(Cl)cc(Cl)c1[O-] ZINC001237717554 1042340046 /nfs/dbraw/zinc/34/00/46/1042340046.db2.gz BMYDZZRPSQNBEZ-LLVKDONJSA-N -1 3 387.288 3.577 20 10 GHCDHM [O-]c1c(CN2CC[C@@H]3COC[C@@H]3C2)cc(Br)cc1C(F)(F)F ZINC001237783468 1042367575 /nfs/dbraw/zinc/36/75/75/1042367575.db2.gz IMBMWROFIMEYKO-KOLCDFICSA-N -1 3 380.204 3.642 20 10 GHCDHM CC(C)(O)[C@@H]1CCCN1Cc1cc(Br)cc(C(F)(F)F)c1[O-] ZINC001237792097 1042372640 /nfs/dbraw/zinc/37/26/40/1042372640.db2.gz OLTKUITZCLZXIV-LBPRGKRZSA-N -1 3 382.220 3.909 20 10 GHCDHM CCCC[C@@H](CC)CN1CCC12CN(C(=O)c1cc(O)c([O-])c(Cl)c1)C2 ZINC001279074601 1044394262 /nfs/dbraw/zinc/39/42/62/1044394262.db2.gz VNXOYIWBJZWVTR-CQSZACIVSA-N -1 3 380.916 3.868 20 10 GHCDHM CCCCOc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)cc1 ZINC001260579156 1045567339 /nfs/dbraw/zinc/56/73/39/1045567339.db2.gz ZJGBNVSMVCYQNV-UHFFFAOYSA-N -1 3 390.505 3.503 20 10 GHCDHM O=S(=O)(Cc1cccc(Cl)c1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001260836230 1045703817 /nfs/dbraw/zinc/70/38/17/1045703817.db2.gz PSVUJTAJODYOOV-UHFFFAOYSA-N -1 3 397.283 3.867 20 10 GHCDHM O=S(=O)([N-]Cc1ccc(N2CCCC2)cc1)c1csnc1-c1ccccc1 ZINC001309048274 1050299550 /nfs/dbraw/zinc/29/95/50/1050299550.db2.gz SKSTXLPGJLYEEV-UHFFFAOYSA-N -1 3 399.541 3.889 20 10 GHCDHM Cc1cc2cc(S(=O)(=O)NCc3c([O-])cccc3F)ccc2nc1Cl ZINC001309878358 1051019366 /nfs/dbraw/zinc/01/93/66/1051019366.db2.gz DLUYHRDHTAFFMD-UHFFFAOYSA-N -1 3 380.828 3.520 20 10 GHCDHM CC(C)(C)n1cc(Br)c(C(=O)[N-]c2c3nonc3ccc2Cl)n1 ZINC001334827381 1051986520 /nfs/dbraw/zinc/98/65/20/1051986520.db2.gz XUBQADZRCYBASY-UHFFFAOYSA-N -1 3 398.648 3.843 20 10 GHCDHM Cc1cc(CN(C)c2nnc(-c3sc4ncccc4c3[O-])n2CC2CC2)no1 ZINC001345906754 1055324316 /nfs/dbraw/zinc/32/43/16/1055324316.db2.gz YINHGGORBFDSTR-UHFFFAOYSA-N -1 3 396.476 3.603 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001341840554 1060918203 /nfs/dbraw/zinc/91/82/03/1060918203.db2.gz AJLNXXHQLFCQJD-CQSZACIVSA-N -1 3 399.520 3.533 20 10 GHCDHM COc1cc(C(=O)NCc2c([O-])cccc2F)ccc1OCc1cscn1 ZINC001456093900 1062479020 /nfs/dbraw/zinc/47/90/20/1062479020.db2.gz PAWQGUGFQVMAAH-UHFFFAOYSA-N -1 3 388.420 3.505 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2cc(C)cc(S(C)(=O)=O)c2)c1 ZINC001474249170 1074309831 /nfs/dbraw/zinc/30/98/31/1074309831.db2.gz UPFHKNQFMVQESK-UHFFFAOYSA-N -1 3 384.295 3.787 20 10 GHCDHM COC(=O)[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)C[C@H]1c1ccc(F)cc1F ZINC001474591203 1074474916 /nfs/dbraw/zinc/47/49/16/1074474916.db2.gz ZXXFDEGFICQOHU-QWHCGFSZSA-N -1 3 399.796 3.852 20 10 GHCDHM O=C([O-])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001608542582 1126237366 /nfs/dbraw/zinc/23/73/66/1126237366.db2.gz VRXFVLIXBMKTBL-OAQYLSRUSA-N -1 3 377.440 3.757 20 10 GHCDHM Cc1cc(C(=O)N(CC2CC2)CC2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737226537 599037664 /nfs/dbraw/zinc/03/76/64/599037664.db2.gz BKGFILNZHRUAGZ-UHFFFAOYSA-N -1 3 390.491 3.536 20 10 GHCDHM Cc1cc(C(=O)N(C)[C@@H](C)C(C)(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227266 598610000 /nfs/dbraw/zinc/61/00/00/598610000.db2.gz JSGZVTSMYUEYRB-HNNXBMFYSA-N -1 3 380.496 3.781 20 10 GHCDHM COc1ccc(N2CCC(Nc3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)cc1 ZINC000737100468 598669777 /nfs/dbraw/zinc/66/97/77/598669777.db2.gz XPWOJLKWMXKPKM-UHFFFAOYSA-N -1 3 384.871 3.610 20 10 GHCDHM COc1ccc(N2CCC(Nc3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)cc1 ZINC000737100468 598669779 /nfs/dbraw/zinc/66/97/79/598669779.db2.gz XPWOJLKWMXKPKM-UHFFFAOYSA-N -1 3 384.871 3.610 20 10 GHCDHM Cc1cccc(N2C(=O)C(=Cc3cc(-c4nnn[n-]4)cs3)SC2=S)c1C ZINC000822309359 606336139 /nfs/dbraw/zinc/33/61/39/606336139.db2.gz VVEXGDDJGHCKBM-AUWJEWJLSA-N -1 3 399.526 3.951 20 10 GHCDHM Cc1cccc(N2C(=O)C(=Cc3cc(-c4nn[n-]n4)cs3)SC2=S)c1C ZINC000822309359 606336141 /nfs/dbraw/zinc/33/61/41/606336141.db2.gz VVEXGDDJGHCKBM-AUWJEWJLSA-N -1 3 399.526 3.951 20 10 GHCDHM Brc1cc(-c2nn[n-]n2)ccc1NCc1ccc(N2CCCC2)cc1 ZINC000823826263 608047708 /nfs/dbraw/zinc/04/77/08/608047708.db2.gz FSJXVSWNTZDDFC-UHFFFAOYSA-N -1 3 399.296 3.842 20 10 GHCDHM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000052396879 834510369 /nfs/dbraw/zinc/51/03/69/834510369.db2.gz BRNSITIZLMAYPD-UHFFFAOYSA-N -1 3 375.472 3.791 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1[O-] ZINC000177166023 836016458 /nfs/dbraw/zinc/01/64/58/836016458.db2.gz KGVOAHGJHQVXGF-AWEZNQCLSA-N -1 3 380.916 3.623 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCC(NC(=O)C3CCCCC3)CC2)c1[O-] ZINC000177269745 837900589 /nfs/dbraw/zinc/90/05/89/837900589.db2.gz UYVJEZXGKZQMGD-UHFFFAOYSA-N -1 3 392.927 3.909 20 10 GHCDHM C[C@@H]([NH2+]C[C@@]([O-])(c1nccn1C)C(F)(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000278158601 849428430 /nfs/dbraw/zinc/42/84/30/849428430.db2.gz AUMIWKFENXKNJZ-XLKFXECMSA-N -1 3 398.212 3.533 20 10 GHCDHM C[C@H](N[C@@H](CO)c1ccccc1OC(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000281177413 862873227 /nfs/dbraw/zinc/87/32/27/862873227.db2.gz QIKAGCRCKROSRL-ZANVPECISA-N -1 3 377.309 3.953 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000922394083 859896169 /nfs/dbraw/zinc/89/61/69/859896169.db2.gz UODHYUGUXDLDKH-MRXNPFEDSA-N -1 3 394.244 3.639 20 10 GHCDHM CCCc1ncc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)s1 ZINC000857472968 882287359 /nfs/dbraw/zinc/28/73/59/882287359.db2.gz PYWRLCRTBGHLFR-OAHLLOKOSA-N -1 3 393.940 3.849 20 10 GHCDHM Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCN(C)CC3)c2)c2ccccc12 ZINC001193857922 871357448 /nfs/dbraw/zinc/35/74/48/871357448.db2.gz QBNXOLOGZVCIOY-UHFFFAOYSA-N -1 3 395.528 3.701 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cc(-c2ccncc2)on1 ZINC001196223983 872964174 /nfs/dbraw/zinc/96/41/74/872964174.db2.gz PZZXOVRDEOVLLU-UHFFFAOYSA-N -1 3 380.791 3.574 20 10 GHCDHM [O-]c1cccc(Cl)c1CN1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000769147211 873816916 /nfs/dbraw/zinc/81/69/16/873816916.db2.gz VWXFGJZRDCKFLY-UHFFFAOYSA-N -1 3 391.302 3.665 20 10 GHCDHM CN(C[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1)C(=O)OC(C)(C)C ZINC000769331067 873970394 /nfs/dbraw/zinc/97/03/94/873970394.db2.gz GMQQMKLKUSSRNG-GFCCVEGCSA-N -1 3 399.875 3.643 20 10 GHCDHM CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc3c(cc2[O-])OCO3)cc1 ZINC000769671212 874224381 /nfs/dbraw/zinc/22/43/81/874224381.db2.gz AGJQULCTCZRAQX-UHFFFAOYSA-N -1 3 394.427 3.623 20 10 GHCDHM CCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H](CC)c1ccccc1 ZINC000769735639 874273683 /nfs/dbraw/zinc/27/36/83/874273683.db2.gz MOHXCSKRNWTVMR-GOSISDBHSA-N -1 3 390.505 3.767 20 10 GHCDHM COc1cc2c(cc1CNCc1cc(Br)cc(F)c1[O-])O[C@H](C)C2 ZINC001199144665 874821137 /nfs/dbraw/zinc/82/11/37/874821137.db2.gz UTHATWHRRIMXPC-SNVBAGLBSA-N -1 3 396.256 3.916 20 10 GHCDHM CC(C)Oc1cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cnc1F ZINC001199721224 875145207 /nfs/dbraw/zinc/14/52/07/875145207.db2.gz LOCLSSTYRUHHOK-UHFFFAOYSA-N -1 3 389.814 3.845 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)Nc1cc(F)c(Br)cc1F ZINC001202098681 876002728 /nfs/dbraw/zinc/00/27/28/876002728.db2.gz JUWYBEWUXKWDGK-UHFFFAOYSA-N -1 3 375.144 3.894 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2nnc(-c3ccccn3)s2)c1 ZINC000776263508 876070464 /nfs/dbraw/zinc/07/04/64/876070464.db2.gz DNUNXGDVUBXFRU-UHFFFAOYSA-N -1 3 377.267 3.989 20 10 GHCDHM COc1ccc(N2CCC(NC(=O)CCCc3ccc([O-])c(F)c3)CC2)cc1 ZINC000786865010 876989697 /nfs/dbraw/zinc/98/96/97/876989697.db2.gz HZMIZRGIVNZQSV-UHFFFAOYSA-N -1 3 386.467 3.648 20 10 GHCDHM CCCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H](C)c1ccccc1 ZINC000179485178 877638830 /nfs/dbraw/zinc/63/88/30/877638830.db2.gz UXTGTTAUIOBMRR-HNNXBMFYSA-N -1 3 390.505 3.767 20 10 GHCDHM [O-]c1c(CNc2cnc(OC3CCOCC3)nc2)cc(Cl)c2cccnc12 ZINC001168525594 878019391 /nfs/dbraw/zinc/01/93/91/878019391.db2.gz HAUWDCYKNLICQT-UHFFFAOYSA-N -1 3 386.839 3.554 20 10 GHCDHM C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1cccc(Br)c1[O-] ZINC000179940905 878228386 /nfs/dbraw/zinc/22/83/86/878228386.db2.gz SFBPLPYVCLZEGP-LBPRGKRZSA-N -1 3 398.322 3.751 20 10 GHCDHM O=C(CC1CCC2(CC1)OCCO2)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001183340929 912457683 /nfs/dbraw/zinc/45/76/83/912457683.db2.gz NKWIKZSPZURJFE-UHFFFAOYSA-N -1 3 390.867 3.533 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N(Cc1cc(Br)ccc1F)C1CC1 ZINC000790529117 879794973 /nfs/dbraw/zinc/79/49/73/879794973.db2.gz YNFPMBFNIQLWFG-UHFFFAOYSA-N -1 3 380.213 3.804 20 10 GHCDHM CN1CCO[C@H]([C@H](NCc2c([O-])ccc(Cl)c2F)c2ccc(Cl)cc2)C1 ZINC000790982156 880140664 /nfs/dbraw/zinc/14/06/64/880140664.db2.gz RBMNYKOKFMINCF-PKOBYXMFSA-N -1 3 399.293 4.000 20 10 GHCDHM CN1c2ccc(Br)cc2N(C(=O)c2cccc(O)c2[O-])CC1(C)C ZINC000792555639 881189145 /nfs/dbraw/zinc/18/91/45/881189145.db2.gz JQXLEGUTTAJASI-UHFFFAOYSA-N -1 3 391.265 3.736 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2nc(C3CCOCC3)ns2)c1 ZINC000865294285 888291069 /nfs/dbraw/zinc/29/10/69/888291069.db2.gz FWWJVQRXQYQXBP-UHFFFAOYSA-N -1 3 384.299 3.821 20 10 GHCDHM NC(=O)c1cnc(NCc2cc(Cl)c3cccnc3c2[O-])c2sccc21 ZINC001168523005 891465395 /nfs/dbraw/zinc/46/53/95/891465395.db2.gz XYYMQNDIPVCPTB-UHFFFAOYSA-N -1 3 384.848 3.915 20 10 GHCDHM Cc1c(C)c(-n2ccnc2)nnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168522988 891477632 /nfs/dbraw/zinc/47/76/32/891477632.db2.gz XOTRORDALAPPOJ-UHFFFAOYSA-N -1 3 380.839 3.798 20 10 GHCDHM Cc1c(Br)cc(C=C2SC(=O)[N-]C2=O)cc1Br ZINC000874928827 892379958 /nfs/dbraw/zinc/37/99/58/892379958.db2.gz TZJBOYAYKHKCLT-RUDMXATFSA-N -1 3 377.057 3.844 20 10 GHCDHM [O-]c1cc(F)c(Cl)cc1CN[C@H](CO)c1ccccc1OC(F)(F)F ZINC000816596410 894959957 /nfs/dbraw/zinc/95/99/57/894959957.db2.gz ARXRVOKVDMGCCG-CYBMUJFWSA-N -1 3 379.737 3.907 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1[O-] ZINC000127802963 895105866 /nfs/dbraw/zinc/10/58/66/895105866.db2.gz XEBXUOVVFFWAHB-SFHVURJKSA-N -1 3 395.377 3.909 20 10 GHCDHM COc1ccc(-n2c(C)cc(C(=O)NC(C)(C)c3nc(C)cc(=O)[n-]3)c2C)cc1 ZINC000824154341 899430654 /nfs/dbraw/zinc/43/06/54/899430654.db2.gz NMXCFKNFGLJKBM-UHFFFAOYSA-N -1 3 394.475 3.572 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC(Cc3nc([C@@H]4C[C@H]4C)no3)CC2)c1[O-] ZINC000844410079 900840408 /nfs/dbraw/zinc/84/04/08/900840408.db2.gz NBQFIWVAQJHRNO-SJKOYZFVSA-N -1 3 387.455 3.695 20 10 GHCDHM CCOCc1nc([C@@H](C)N[C@H](CC)c2cc(Br)ccc2[O-])no1 ZINC000290155762 914550416 /nfs/dbraw/zinc/55/04/16/914550416.db2.gz LOUXWODSFFQYAA-ZWNOBZJWSA-N -1 3 384.274 3.876 20 10 GHCDHM O=C(c1cc(O)c([O-])c(O)c1)N1C[C@H]2C[C@@]2(c2ccc(Cl)c(Cl)c2)C1 ZINC001148588602 904129224 /nfs/dbraw/zinc/12/92/24/904129224.db2.gz WMUBFRHRZZHOMX-ZMZPIMSZSA-N -1 3 380.227 3.524 20 10 GHCDHM Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)c1cccc(O)c1[O-] ZINC000188225279 904894011 /nfs/dbraw/zinc/89/40/11/904894011.db2.gz YSTDMZNERFQCJA-OKILXGFUSA-N -1 3 382.460 3.777 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c1[O-] ZINC001175562005 907637838 /nfs/dbraw/zinc/63/78/38/907637838.db2.gz ZNQIAPQOUDBKQD-QZTJIDSGSA-N -1 3 392.471 3.708 20 10 GHCDHM COc1cccc(-c2noc([C@@H](C)NCc3cc(F)cc(C(C)=O)c3[O-])n2)c1 ZINC000185125658 907717295 /nfs/dbraw/zinc/71/72/95/907717295.db2.gz DIJQANHWXDIMDE-LLVKDONJSA-N -1 3 385.395 3.643 20 10 GHCDHM CCOc1ccc(C(C)(C)C(=O)NCc2c([O-])cccc2F)cc1OCC ZINC001178413027 909048621 /nfs/dbraw/zinc/04/86/21/909048621.db2.gz KVNUJDTXMMQEPZ-UHFFFAOYSA-N -1 3 375.440 3.923 20 10 GHCDHM CC(C)(C)OC(=O)N1CCC(CCC(=O)NCc2c([O-])cccc2F)CC1 ZINC001178413284 909049228 /nfs/dbraw/zinc/04/92/28/909049228.db2.gz PVOJXITVHRGTFS-UHFFFAOYSA-N -1 3 380.460 3.575 20 10 GHCDHM C[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(Br)cc1[O-] ZINC001180184858 909980701 /nfs/dbraw/zinc/98/07/01/909980701.db2.gz SQMQBFSBPYBDFQ-LBPRGKRZSA-N -1 3 385.302 3.596 20 10 GHCDHM O=C(NC[C@@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1)Nc1cccc(F)c1 ZINC001180194739 910031002 /nfs/dbraw/zinc/03/10/02/910031002.db2.gz MCCQZJVHYLNYMW-ZDUSSCGKSA-N -1 3 393.409 3.843 20 10 GHCDHM CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1Cc1cc(F)cc(F)c1[O-] ZINC001180882478 910414186 /nfs/dbraw/zinc/41/41/86/910414186.db2.gz BKGLMFMXYIHJJE-NRFANRHFSA-N -1 3 375.415 3.811 20 10 GHCDHM CCN(C)C(=O)OC[C@H]1CCCCN1Cc1cc(C)cc(Br)c1[O-] ZINC001181590752 910850650 /nfs/dbraw/zinc/85/06/50/910850650.db2.gz PIOZRNSPACEGIP-OAHLLOKOSA-N -1 3 399.329 3.906 20 10 GHCDHM Cc1cc(C)cc(-n2ncc(CNCc3cccc(Br)c3[O-])n2)c1 ZINC000775147540 915557308 /nfs/dbraw/zinc/55/73/08/915557308.db2.gz VLEHDFNLFLXOMN-UHFFFAOYSA-N -1 3 387.281 3.642 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccc(-c2cncnc2)cc1 ZINC001188537844 916040337 /nfs/dbraw/zinc/04/03/37/916040337.db2.gz ABWGUYYSKXPVQM-UHFFFAOYSA-N -1 3 390.830 3.981 20 10 GHCDHM CCN(Cc1nc(-c2ccccn2)no1)Cc1cc(Br)ccc1[O-] ZINC000363324867 918085979 /nfs/dbraw/zinc/08/59/79/918085979.db2.gz USHAYQRKEJFCMA-UHFFFAOYSA-N -1 3 389.253 3.622 20 10 GHCDHM O=c1ccccn1C[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000800313873 919891471 /nfs/dbraw/zinc/89/14/71/919891471.db2.gz PTNVDOCIXQHSKR-QGZVFWFLSA-N -1 3 399.834 3.647 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)c1 ZINC000726796957 926858127 /nfs/dbraw/zinc/85/81/27/926858127.db2.gz LDIUMPQZJVHWSW-OAQYLSRUSA-N -1 3 388.423 3.946 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN[C@@H](C)c2nnc3n2CCCCC3)c1 ZINC000781626156 930913286 /nfs/dbraw/zinc/91/32/86/930913286.db2.gz FMDMOXWCKPCNHF-LBPRGKRZSA-N -1 3 379.302 3.632 20 10 GHCDHM O=C1NCCN(Cc2cc(Cl)ccc2[O-])[C@H]1c1ccccc1C(F)(F)F ZINC000781931562 931033861 /nfs/dbraw/zinc/03/38/61/931033861.db2.gz YDZPJQWFWXSPJQ-INIZCTEOSA-N -1 3 384.785 3.738 20 10 GHCDHM COc1c([O-])c(CNc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)ccc1[N+](=O)[O-] ZINC000798079917 932521156 /nfs/dbraw/zinc/52/11/56/932521156.db2.gz OVORAEYVTDCHMY-AWEZNQCLSA-N -1 3 399.447 3.936 20 10 GHCDHM C[C@@H]1CCCN(c2ccc(CNCc3cc(C(=O)[O-])n(C)c3)cc2Cl)C1 ZINC001594388902 999472549 /nfs/dbraw/zinc/47/25/49/999472549.db2.gz JLEGDTYWZOHMED-CQSZACIVSA-N -1 3 375.900 3.903 20 10 GHCDHM CN1CCC[C@H](Oc2c(O)c([O-])cc3oc(-c4ccccc4)cc(=O)c32)CC1 ZINC001227505621 1032445214 /nfs/dbraw/zinc/44/52/14/1032445214.db2.gz PKGDBUAVIVHRAX-HNNXBMFYSA-N -1 3 381.428 3.734 20 10 GHCDHM C[C@]1(C(=O)NCc2c([O-])cccc2F)CC(c2cccc(Cl)c2F)=NO1 ZINC001156170847 1032912309 /nfs/dbraw/zinc/91/23/09/1032912309.db2.gz VCZWXJPFPNCBEG-GOSISDBHSA-N -1 3 380.778 3.523 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000801573183 1021413384 /nfs/dbraw/zinc/41/33/84/1021413384.db2.gz CWOPWSJUEVPKJE-FQEVSTJZSA-N -1 3 396.915 3.985 20 10 GHCDHM CCOC(=O)c1sc([C@@H](C)NCc2cc(F)cc(C(C)=O)c2[O-])nc1C ZINC000755034135 1023034946 /nfs/dbraw/zinc/03/49/46/1023034946.db2.gz LAPJWLRKSWJMKQ-SNVBAGLBSA-N -1 3 380.441 3.526 20 10 GHCDHM [O-]c1c(Cl)cccc1CN(CCO)Cc1cc(Br)cs1 ZINC000756122647 1023529333 /nfs/dbraw/zinc/52/93/33/1023529333.db2.gz UDMXMDWAQNEAAI-UHFFFAOYSA-N -1 3 376.703 3.864 20 10 GHCDHM C[C@H](NCc1cccc(C(=O)NCc2ccco2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756424417 1023641730 /nfs/dbraw/zinc/64/17/30/1023641730.db2.gz UNYLNBFZYHZHII-AWEZNQCLSA-N -1 3 395.415 3.674 20 10 GHCDHM CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccc([O-])c1Br ZINC000838787984 1025366831 /nfs/dbraw/zinc/36/68/31/1025366831.db2.gz LRCZLGQTYZGFKR-UHFFFAOYSA-N -1 3 391.309 3.623 20 10 GHCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCN(c2ccc(Cl)cc2)CC1 ZINC001139127365 1025939301 /nfs/dbraw/zinc/93/93/01/1025939301.db2.gz UHTRKOZEQLXRLD-UHFFFAOYSA-N -1 3 384.863 3.783 20 10 GHCDHM C[C@@H]1CCN(Cc2c([O-])cccc2Br)CCN1C(=O)OC(C)(C)C ZINC001140098529 1026874548 /nfs/dbraw/zinc/87/45/48/1026874548.db2.gz DDRBMYYAJIRPAW-CYBMUJFWSA-N -1 3 399.329 3.986 20 10 GHCDHM CC(C)(C)OC(=O)NCC1(C)CN(Cc2c([O-])cccc2Br)C1 ZINC001140101890 1026881206 /nfs/dbraw/zinc/88/12/06/1026881206.db2.gz CSILYCVHBRKDGK-UHFFFAOYSA-N -1 3 385.302 3.501 20 10 GHCDHM O=C1[C@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]2CN1c1ccsc1 ZINC001203577946 1027447313 /nfs/dbraw/zinc/44/73/13/1027447313.db2.gz GNSKEUIIFBKFGM-FZMZJTMJSA-N -1 3 383.300 3.855 20 10 GHCDHM CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3cc(Br)ccc3[O-])C[C@@H]21 ZINC001203635608 1027494735 /nfs/dbraw/zinc/49/47/35/1027494735.db2.gz BBNUKKMZSZHVDD-WFASDCNBSA-N -1 3 397.313 3.596 20 10 GHCDHM CCn1ncc2c1CN(Cc1cc(Cl)ccc1[O-])C[C@@H]2COCC1CC1 ZINC001203656360 1027511708 /nfs/dbraw/zinc/51/17/08/1027511708.db2.gz OKEAIQJEOCXKTO-MRXNPFEDSA-N -1 3 375.900 3.788 20 10 GHCDHM COC(=O)c1c[nH]c2nc(NCc3cc(Cl)c4cccnc4c3[O-])ccc12 ZINC001157724406 1033739800 /nfs/dbraw/zinc/73/98/00/1033739800.db2.gz OKIPCQVPWOFGBF-UHFFFAOYSA-N -1 3 382.807 3.869 20 10 GHCDHM O=C1CC[C@@H]2[C@@H](CCN2Cc2cc(F)cc(Cl)c2[O-])N1CCC(F)(F)F ZINC001277511213 1034551029 /nfs/dbraw/zinc/55/10/29/1034551029.db2.gz XRWRLTGXIKZHLG-ZIAGYGMSSA-N -1 3 394.796 3.702 20 10 GHCDHM Cn1cncc1C1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001207823895 1034601305 /nfs/dbraw/zinc/60/13/05/1034601305.db2.gz NKIXBVPNOSICKK-UHFFFAOYSA-N -1 3 384.705 3.921 20 10 GHCDHM CC(C)CN1c2ccccc2[C@@H]2C[N@@H+](Cc3cc(C(=O)[O-])ccc3[O-])CC[C@@H]21 ZINC001231563349 1034712978 /nfs/dbraw/zinc/71/29/78/1034712978.db2.gz IJZBUXWLHXHAFZ-FPOVZHCZSA-N -1 3 380.488 3.925 20 10 GHCDHM CC(C)CN1c2ccccc2[C@@H]2C[N@H+](Cc3cc(C(=O)[O-])ccc3[O-])CC[C@@H]21 ZINC001231563349 1034712992 /nfs/dbraw/zinc/71/29/92/1034712992.db2.gz IJZBUXWLHXHAFZ-FPOVZHCZSA-N -1 3 380.488 3.925 20 10 GHCDHM Cc1cc([O-])c(CN2CCO[C@@]3(CCCN(c4cccnc4)C3)C2)cc1Cl ZINC001231867520 1034953991 /nfs/dbraw/zinc/95/39/91/1034953991.db2.gz LTTGLRHFYWELNJ-NRFANRHFSA-N -1 3 387.911 3.620 20 10 GHCDHM COC(=O)[C@@H]1[C@@H](c2ccccc2)OCCN1Cc1ccc2ccccc2c1[O-] ZINC001231882932 1034966963 /nfs/dbraw/zinc/96/69/63/1034966963.db2.gz DJMJACIDLNXJAG-RBBKRZOGSA-N -1 3 377.440 3.661 20 10 GHCDHM COC(=O)CN(C/C=C/c1ccc(N(C)C)cc1)Cc1cc(Cl)ccc1[O-] ZINC001461973644 1069924086 /nfs/dbraw/zinc/92/40/86/1069924086.db2.gz HFYFAYHBJXJHFF-SNAWJCMRSA-N -1 3 388.895 3.800 20 10 GHCDHM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1Cc1c([O-])cccc1Br ZINC001462071583 1069979276 /nfs/dbraw/zinc/97/92/76/1069979276.db2.gz NIGZHVHCUSZBGA-CHWSQXEVSA-N -1 3 399.329 3.984 20 10 GHCDHM CC(C)(C)c1cc([O-])c(CN2CCN(C(=O)C(F)(F)F)CC2)cc1Cl ZINC001248880470 1036219203 /nfs/dbraw/zinc/21/92/03/1036219203.db2.gz JXYHELMKWWNWCM-UHFFFAOYSA-N -1 3 378.822 3.550 20 10 GHCDHM COc1cc([O-])c(CN2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)cc1Cl ZINC001232265792 1037986289 /nfs/dbraw/zinc/98/62/89/1037986289.db2.gz FREYMZRXRKBJOI-MRXNPFEDSA-N -1 3 382.888 3.543 20 10 GHCDHM COc1cc([O-])c(CN2CCCn3cnc(Cn4cccc4)c3C2)cc1Cl ZINC001232265953 1037987958 /nfs/dbraw/zinc/98/79/58/1037987958.db2.gz SVXYALGSXKIELK-UHFFFAOYSA-N -1 3 386.883 3.506 20 10 GHCDHM COc1cc([O-])c(CN2CCN(C(=O)OC(C)(C)C)CC2(C)C)cc1Cl ZINC001232269907 1037994022 /nfs/dbraw/zinc/99/40/22/1037994022.db2.gz MYBOKMXIIWOTHD-UHFFFAOYSA-N -1 3 384.904 3.886 20 10 GHCDHM COc1ccc2c(c1)CN(Cc1ccc(I)cc1[O-])CC2 ZINC001232975245 1038745959 /nfs/dbraw/zinc/74/59/59/1038745959.db2.gz XNAHGVKVOZXZCM-UHFFFAOYSA-N -1 3 395.240 3.564 20 10 GHCDHM O=C1Cc2ccccc2N1C1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233417924 1039278184 /nfs/dbraw/zinc/27/81/84/1039278184.db2.gz MZNHBXIIJBJFKP-UHFFFAOYSA-N -1 3 390.405 3.965 20 10 GHCDHM CO[C@@H](CN1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1)c1ccccc1 ZINC001233419324 1039280155 /nfs/dbraw/zinc/28/01/55/1039280155.db2.gz UAGSUICAHMIJSH-IBGZPJMESA-N -1 3 394.437 3.916 20 10 GHCDHM COc1c(OC2CCC(OC)CC2)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234128598 1039869154 /nfs/dbraw/zinc/86/91/54/1039869154.db2.gz DCZIWMLULBGLMV-UHFFFAOYSA-N -1 3 396.439 3.821 20 10 GHCDHM CC(=O)[C@H](Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12)c1ccccc1 ZINC001234748930 1040273665 /nfs/dbraw/zinc/27/36/65/1040273665.db2.gz NSMUKBYOARHOGD-QFIPXVFZSA-N -1 3 392.363 3.772 20 10 GHCDHM CC(=O)[C@H](Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12)c1ccccc1 ZINC001234748930 1040273683 /nfs/dbraw/zinc/27/36/83/1040273683.db2.gz NSMUKBYOARHOGD-QFIPXVFZSA-N -1 3 392.363 3.772 20 10 GHCDHM CC(C)C(=O)N1CCC[C@]12CCN(Cc1cc(Br)cc(F)c1[O-])C2 ZINC001235063855 1040553197 /nfs/dbraw/zinc/55/31/97/1040553197.db2.gz BSFRJOJSRLKDLO-GOSISDBHSA-N -1 3 399.304 3.517 20 10 GHCDHM CC(C)N1CCC2(CCN(Cc3cc(F)cc(Br)c3[O-])CC2)C1=O ZINC001235308373 1040781106 /nfs/dbraw/zinc/78/11/06/1040781106.db2.gz PQLHPTLWSSIXBX-UHFFFAOYSA-N -1 3 399.304 3.517 20 10 GHCDHM Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3cc(Cl)c(Cl)cc3[O-])O2)n1 ZINC001236791916 1041897265 /nfs/dbraw/zinc/89/72/65/1041897265.db2.gz BPNBBYCFHQNILD-BMFZPTHFSA-N -1 3 384.263 3.885 20 10 GHCDHM CC(C)N(C)Cc1cnc2n1CCN(Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001236794140 1041898681 /nfs/dbraw/zinc/89/86/81/1041898681.db2.gz SKLZYAKGPFUDTD-UHFFFAOYSA-N -1 3 383.323 3.752 20 10 GHCDHM COc1cc([O-])c(CN2CC3(C2)CCN(Cc2csc(C)n2)C3)c(Cl)c1 ZINC001236797387 1041901560 /nfs/dbraw/zinc/90/15/60/1041901560.db2.gz NFLSNNGPXMTWLG-UHFFFAOYSA-N -1 3 393.940 3.527 20 10 GHCDHM COc1cc([O-])c(CN2CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001236808973 1041909711 /nfs/dbraw/zinc/90/97/11/1041909711.db2.gz SFBTYQGRCJQKJU-WBMJQRKESA-N -1 3 384.904 3.789 20 10 GHCDHM COc1ccc(CN2CCC(N(C)C(=O)OC(C)(C)C)CC2)c([O-])c1Cl ZINC001236811147 1041911512 /nfs/dbraw/zinc/91/15/12/1041911512.db2.gz HKTZYSCIOORKIP-UHFFFAOYSA-N -1 3 384.904 3.886 20 10 GHCDHM COc1cc([O-])c(CN2CCc3cccc(OC)c3C2)c(Br)c1 ZINC001237064260 1042016866 /nfs/dbraw/zinc/01/68/66/1042016866.db2.gz YXJHWNAHCAIVCK-UHFFFAOYSA-N -1 3 378.266 3.730 20 10 GHCDHM COc1cc([O-])c(CN2CCc3ccc(C(C)=O)cc3C2)c(Br)c1 ZINC001237069511 1042020715 /nfs/dbraw/zinc/02/07/15/1042020715.db2.gz GRAGPRJTAQETPQ-UHFFFAOYSA-N -1 3 390.277 3.924 20 10 GHCDHM COc1ccnc(OC2CCN(Cc3c([O-])ccc(Cl)c3Cl)CC2)n1 ZINC001237085708 1042028881 /nfs/dbraw/zinc/02/88/81/1042028881.db2.gz GCFVIACIJKMEGX-UHFFFAOYSA-N -1 3 384.263 3.541 20 10 GHCDHM CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3cc(F)cc(Cl)c3[O-])CC[C@@H]2C1 ZINC001237798797 1042375739 /nfs/dbraw/zinc/37/57/39/1042375739.db2.gz CMOWDOYNASYPNS-TZMCWYRMSA-N -1 3 384.879 3.874 20 10 GHCDHM Cc1ccc([C@H]2C[C@@H]2c2nnc(-c3ccc([O-])c(CN4CCOCC4)c3)o2)cc1 ZINC001257341977 1043967874 /nfs/dbraw/zinc/96/78/74/1043967874.db2.gz OWNBVMGLKBRZAY-UXHICEINSA-N -1 3 391.471 3.854 20 10 GHCDHM O=S(=O)(NCc1cc(Cl)c2cccnc2c1[O-])c1ccc2c(c1)CCC2 ZINC001259863137 1045323544 /nfs/dbraw/zinc/32/35/44/1045323544.db2.gz JPGLVQJFUKZEAM-UHFFFAOYSA-N -1 3 388.876 3.561 20 10 GHCDHM Cc1cccc(Br)c1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC001260387767 1045486451 /nfs/dbraw/zinc/48/64/51/1045486451.db2.gz QQQRAJJSZKYVDW-UHFFFAOYSA-N -1 3 384.280 3.563 20 10 GHCDHM CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1c([O-])cccc1F ZINC001303877782 1047526502 /nfs/dbraw/zinc/52/65/02/1047526502.db2.gz GYBRVAWTSUUHQZ-KRWDZBQOSA-N -1 3 392.858 3.646 20 10 GHCDHM O=C(Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1cccc(O)c1[O-] ZINC001290602374 1049885241 /nfs/dbraw/zinc/88/52/41/1049885241.db2.gz UFNHPASYCIOVQL-UHFFFAOYSA-N -1 3 398.850 3.988 20 10 GHCDHM COC(=O)c1cc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc2ccccc21 ZINC001308910169 1050157567 /nfs/dbraw/zinc/15/75/67/1050157567.db2.gz DSZLWBWRPVXOFY-UHFFFAOYSA-N -1 3 382.372 3.861 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@H](C2CCOCC2)C1 ZINC001341840545 1060918067 /nfs/dbraw/zinc/91/80/67/1060918067.db2.gz AJLNXXHQLFCQJD-AWEZNQCLSA-N -1 3 399.520 3.533 20 10 GHCDHM CC[C@H]1CCN(c2nnc(-c3sc4ncccc4c3[O-])n2C[C@H]2CCOC2)C1 ZINC001348913972 1063399507 /nfs/dbraw/zinc/39/95/07/1063399507.db2.gz XSGYQHPCNTWTHY-UONOGXRCSA-N -1 3 399.520 3.533 20 10 GHCDHM CCCNC(=O)OC[C@@H]1CCCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC001460065401 1064392544 /nfs/dbraw/zinc/39/25/44/1064392544.db2.gz NNMQTHHEHWNFOP-INIZCTEOSA-N -1 3 382.888 3.739 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c([O-])c1O ZINC001465081726 1065379586 /nfs/dbraw/zinc/37/95/86/1065379586.db2.gz PLWVUVBVOFGKMK-UHFFFAOYSA-N -1 3 398.459 3.952 20 10 GHCDHM COC(=O)C(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1 ZINC000849310156 1067795341 /nfs/dbraw/zinc/79/53/41/1067795341.db2.gz SXCHQYXOFSVGDQ-UHFFFAOYSA-N -1 3 391.489 3.569 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)c1c(F)c(F)c(Br)c(F)c1F ZINC001471975664 1073288252 /nfs/dbraw/zinc/28/82/52/1073288252.db2.gz CELAMDGZPRDCMC-UHFFFAOYSA-N -1 3 396.109 3.780 20 10 GHCDHM COC(=O)CN(Cc1ccc2scnc2c1)Cc1cc(Cl)ccc1[O-] ZINC001474380151 1074375383 /nfs/dbraw/zinc/37/53/83/1074375383.db2.gz MKDOHEKIYPCOJN-UHFFFAOYSA-N -1 3 376.865 3.831 20 10 GHCDHM Cc1cc(C(=O)N(CC2CC2)C(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227419 598610122 /nfs/dbraw/zinc/61/01/22/598610122.db2.gz LKXBNZRLNXAVDO-UHFFFAOYSA-N -1 3 378.480 3.535 20 10 GHCDHM Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)cc3F)SC2=S)c1 ZINC000822309202 607462207 /nfs/dbraw/zinc/46/22/07/607462207.db2.gz PPSJCXLISQLFTR-OQLLNIDSSA-N -1 3 397.460 3.720 20 10 GHCDHM Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)cc3F)SC2=S)c1 ZINC000822309202 607462209 /nfs/dbraw/zinc/46/22/09/607462209.db2.gz PPSJCXLISQLFTR-OQLLNIDSSA-N -1 3 397.460 3.720 20 10 GHCDHM Cc1cc(C(=O)O[C@@H](C)c2ccncc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826261071 607959465 /nfs/dbraw/zinc/95/94/65/607959465.db2.gz PSHRDGUVFXRNSD-HNNXBMFYSA-N -1 3 388.431 3.587 20 10 GHCDHM O=c1cc(CN(Cc2ccco2)Cc2ccccc2O)c2ccc([O-])cc2o1 ZINC000176789343 834689865 /nfs/dbraw/zinc/68/98/65/834689865.db2.gz UFAHMZZKBWNABS-UHFFFAOYSA-N -1 3 377.396 4.000 20 10 GHCDHM COc1c([O-])c(CNc2ccc(O[C@H]3CCCC[C@H]3O)cc2)ccc1[N+](=O)[O-] ZINC000278902264 843651991 /nfs/dbraw/zinc/65/19/91/843651991.db2.gz RERBGAAJVBEOQP-MSOLQXFVSA-N -1 3 388.420 3.603 20 10 GHCDHM CO[C@H](C)c1nc(CN2CCCN(Cc3cccc(Cl)c3[O-])CC2)cs1 ZINC000271754645 846910748 /nfs/dbraw/zinc/91/07/48/846910748.db2.gz CKUXRKPWVBBUHI-CQSZACIVSA-N -1 3 395.956 3.917 20 10 GHCDHM C[C@H]([NH2+]C[C@]([O-])(c1nccn1C)C(F)(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000273438761 847338610 /nfs/dbraw/zinc/33/86/10/847338610.db2.gz MLZZNVFTXXBZLJ-RTHLEPHNSA-N -1 3 398.212 3.533 20 10 GHCDHM CC[C@@H](C)NS(=O)(=O)Cc1cccc(N[C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000186492526 856431791 /nfs/dbraw/zinc/43/17/91/856431791.db2.gz LAIORHKHOFGGAC-KGLIPLIRSA-N -1 3 380.485 3.922 20 10 GHCDHM COC(=O)CN(Cc1nc2ccccc2s1)Cc1cc(Cl)ccc1[O-] ZINC000171927377 862991878 /nfs/dbraw/zinc/99/18/78/862991878.db2.gz SVEPNYPHZYGIFT-UHFFFAOYSA-N -1 3 376.865 3.831 20 10 GHCDHM O=C1N[C@@H](c2cc(O)cc(Br)c2[O-])Nc2c3ccccc3sc21 ZINC000172860018 864034896 /nfs/dbraw/zinc/03/48/96/864034896.db2.gz ZCTRKRVNYAUNML-HNNXBMFYSA-N -1 3 391.246 3.929 20 10 GHCDHM Cn1cnc2nc(Cl)nc(NCc3cc(Cl)c4cccnc4c3[O-])c21 ZINC001168527381 865467484 /nfs/dbraw/zinc/46/74/84/865467484.db2.gz FNDACPRJAMKJRH-UHFFFAOYSA-N -1 3 375.219 3.536 20 10 GHCDHM COC(=O)CN(Cc1ccn(C2CCCC2)n1)Cc1cc(Cl)ccc1[O-] ZINC000763542945 872530306 /nfs/dbraw/zinc/53/03/06/872530306.db2.gz HSQMDONOKYMZPJ-UHFFFAOYSA-N -1 3 377.872 3.532 20 10 GHCDHM CN(C)c1ccc2c(c1)OCCN2Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000746492734 873079458 /nfs/dbraw/zinc/07/94/58/873079458.db2.gz KPTYADWVHKIVLM-UHFFFAOYSA-N -1 3 376.416 3.547 20 10 GHCDHM CCOC(=O)[C@@H](Cc1ccccc1)N(C)Cc1cccc(Br)c1[O-] ZINC000769380364 874008852 /nfs/dbraw/zinc/00/88/52/874008852.db2.gz UZCJISFWGISUEM-QGZVFWFLSA-N -1 3 392.293 3.761 20 10 GHCDHM CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)Cc1cc(Cl)ccc1[O-] ZINC000769457062 874082434 /nfs/dbraw/zinc/08/24/34/874082434.db2.gz NKCUMUAWIAMCQC-UHFFFAOYSA-N -1 3 386.801 3.813 20 10 GHCDHM CC(C)(C)C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC000769690380 874233993 /nfs/dbraw/zinc/23/39/93/874233993.db2.gz QFQRFVNBAYDBLQ-KRWDZBQOSA-N -1 3 390.505 3.671 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc(I)cc2C)c([O-])c1O ZINC000770466056 874699071 /nfs/dbraw/zinc/69/90/71/874699071.db2.gz MNTNPPRPFXNQSW-UHFFFAOYSA-N -1 3 383.185 3.572 20 10 GHCDHM COc1cccc(F)c1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000771060567 875015502 /nfs/dbraw/zinc/01/55/02/875015502.db2.gz WSJYULISNGGRNY-OAHLLOKOSA-N -1 3 392.858 3.588 20 10 GHCDHM C[C@](O)(C1CCN(Cc2ccc(Br)cc2[O-])CC1)C(F)(F)F ZINC000825529786 875033380 /nfs/dbraw/zinc/03/33/80/875033380.db2.gz GTIAUYPIUQUADE-AWEZNQCLSA-N -1 3 382.220 3.680 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2ccc(C)c(N3CCNC3=O)c2)c1 ZINC000785552666 876104396 /nfs/dbraw/zinc/10/43/96/876104396.db2.gz KBKZWAGATWPJJI-UHFFFAOYSA-N -1 3 390.281 3.913 20 10 GHCDHM CC(C)(C)c1ncc2c(n1)CCN(Cc1ccc(Br)cc1[O-])C2 ZINC000529638356 876424832 /nfs/dbraw/zinc/42/48/32/876424832.db2.gz FCOPGHGQLPAHSV-UHFFFAOYSA-N -1 3 376.298 3.801 20 10 GHCDHM COc1ccc(N[C@H](C)c2cccc(C(F)(F)F)c2[O-])cc1-n1cnnn1 ZINC000788729484 878280382 /nfs/dbraw/zinc/28/03/82/878280382.db2.gz KUXNJDQUWNPMSC-SNVBAGLBSA-N -1 3 379.342 3.568 20 10 GHCDHM COc1ccccc1[C@@H]1CN(Cc2c([O-])cccc2Br)CCO1 ZINC001183363894 912439227 /nfs/dbraw/zinc/43/92/27/912439227.db2.gz OIORZCAEMWIMKL-SFHVURJKSA-N -1 3 378.266 3.737 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N(Cc1cccc(Br)c1)CC1CC1 ZINC000789862269 879322747 /nfs/dbraw/zinc/32/27/47/879322747.db2.gz ZVFNQSBKQBJABO-UHFFFAOYSA-N -1 3 376.250 3.913 20 10 GHCDHM CCOC(=O)c1csc([C@@H]2CCCN2Cc2c([O-])ccc3ccncc32)n1 ZINC000790482923 879756326 /nfs/dbraw/zinc/75/63/26/879756326.db2.gz ORLAGIAZTOXQFG-KRWDZBQOSA-N -1 3 383.473 3.911 20 10 GHCDHM COC(=O)CN(Cc1ncc(C(C)(C)C)s1)Cc1cc(Cl)ccc1[O-] ZINC000790904513 880079562 /nfs/dbraw/zinc/07/95/62/880079562.db2.gz DNVOQNBTFAAOPJ-UHFFFAOYSA-N -1 3 382.913 3.975 20 10 GHCDHM CC[C@H](Cc1ccccc1Br)N(C)C(=O)c1cccc(O)c1[O-] ZINC000790940772 880116781 /nfs/dbraw/zinc/11/67/81/880116781.db2.gz OLXHXBSGKYDRPV-CYBMUJFWSA-N -1 3 378.266 3.954 20 10 GHCDHM CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(C)ccc1[O-] ZINC000791246341 880306295 /nfs/dbraw/zinc/30/62/95/880306295.db2.gz NDLYGPYLFJEQQW-UHFFFAOYSA-N -1 3 384.476 3.703 20 10 GHCDHM CC[C@H](Nc1ccc(OC)c(OCC(=O)NC2CC2)c1)c1ccc(F)cc1[O-] ZINC000286265161 912658044 /nfs/dbraw/zinc/65/80/44/912658044.db2.gz VFQHHADTFIIILE-KRWDZBQOSA-N -1 3 388.439 3.761 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1coc(C(F)F)c1 ZINC000860242347 884474405 /nfs/dbraw/zinc/47/44/05/884474405.db2.gz PZFQKYZIRGLLKO-CQSZACIVSA-N -1 3 384.810 3.971 20 10 GHCDHM O=C(c1ccc(Cl)cc1)N1CCCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142527566 884542856 /nfs/dbraw/zinc/54/28/56/884542856.db2.gz ZKHOYKQFDJIWAT-UHFFFAOYSA-N -1 3 380.822 3.672 20 10 GHCDHM O=C(Nc1nc2c(cccc2Cl)n1CC(F)(F)F)c1cccc(O)c1[O-] ZINC000807542626 885521480 /nfs/dbraw/zinc/52/14/80/885521480.db2.gz AOEFIYDYZPTXQM-UHFFFAOYSA-N -1 3 385.729 3.916 20 10 GHCDHM COCc1ncc2c(n1)CCN(Cc1c3c(ccc1[O-])oc1c3CCCC1)C2 ZINC000872629612 891288644 /nfs/dbraw/zinc/28/86/44/891288644.db2.gz NVVNGMPKOVWBPK-UHFFFAOYSA-N -1 3 379.460 3.512 20 10 GHCDHM CC(=O)N1CCC(N(Cc2cncs2)Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000814179358 892345399 /nfs/dbraw/zinc/34/53/99/892345399.db2.gz SENKAXRKSMGEJW-UHFFFAOYSA-N -1 3 397.903 3.654 20 10 GHCDHM Cc1c(Br)cc(C=C2SC(=O)[N-]C2=O)cc1Br ZINC000874928834 892380016 /nfs/dbraw/zinc/38/00/16/892380016.db2.gz TZJBOYAYKHKCLT-WTKPLQERSA-N -1 3 377.057 3.844 20 10 GHCDHM Cn1nc(C(=O)OC(C)(C)C)cc1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000877529577 893667270 /nfs/dbraw/zinc/66/72/70/893667270.db2.gz HXAPKKDGJLKCNB-UHFFFAOYSA-N -1 3 386.279 3.678 20 10 GHCDHM CCCc1nc(C)c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)o1 ZINC000815835570 894245855 /nfs/dbraw/zinc/24/58/55/894245855.db2.gz XWUDZJVRKAPCOY-INIZCTEOSA-N -1 3 391.899 3.689 20 10 GHCDHM O=C(NCc1ccc(F)cc1)Nc1ccc([O-])c2c1C(=O)c1ccccc1C2=O ZINC001185474212 913895209 /nfs/dbraw/zinc/89/52/09/913895209.db2.gz NZKSVZFMTNLHCY-UHFFFAOYSA-N -1 3 390.370 3.628 20 10 GHCDHM O=C(c1c(F)cccc1F)N1CCN(Cc2ccc3ccccc3c2[O-])CC1 ZINC000816498267 894849241 /nfs/dbraw/zinc/84/92/41/894849241.db2.gz OCWARWWHRYVFLL-UHFFFAOYSA-N -1 3 382.410 3.782 20 10 GHCDHM O=C(NCc1ccccc1)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816482745 894852381 /nfs/dbraw/zinc/85/23/81/894852381.db2.gz RLJBROZCDYDCOW-UHFFFAOYSA-N -1 3 376.859 3.713 20 10 GHCDHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000816921838 895181083 /nfs/dbraw/zinc/18/10/83/895181083.db2.gz IMNNZQAENXVKHE-QGZVFWFLSA-N -1 3 395.377 3.938 20 10 GHCDHM CCc1nc2c(s1)[C@@H](N(C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CCC2 ZINC000774906884 914002776 /nfs/dbraw/zinc/00/27/76/914002776.db2.gz BKEUABOZQICQFR-AWEZNQCLSA-N -1 3 377.466 3.837 20 10 GHCDHM COc1c([O-])c(CN(C)Cc2cccc(OC(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000774911763 914015542 /nfs/dbraw/zinc/01/55/42/914015542.db2.gz JXERHUMTHSTBDI-UHFFFAOYSA-N -1 3 386.326 3.840 20 10 GHCDHM CN(c1ccc(C[N-]S(=O)(=O)c2ccc(F)nc2F)cc1)C1CCCCC1 ZINC001186047197 914282354 /nfs/dbraw/zinc/28/23/54/914282354.db2.gz ZEOGVVYBNKZFHS-UHFFFAOYSA-N -1 3 395.475 3.607 20 10 GHCDHM [O-]c1cc(F)c(Br)cc1CN1CCC(COc2cccnc2)CC1 ZINC001144299524 901648811 /nfs/dbraw/zinc/64/88/11/901648811.db2.gz ZSJOPKCEBYFOGG-UHFFFAOYSA-N -1 3 395.272 3.980 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000778981765 902490169 /nfs/dbraw/zinc/49/01/69/902490169.db2.gz QQCSKMRUVKKGNP-GXTWGEPZSA-N -1 3 396.915 3.983 20 10 GHCDHM O=C(c1c(Cl)cccc1Cl)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000778998070 902657590 /nfs/dbraw/zinc/65/75/90/902657590.db2.gz GVZOGHPZWQJKJF-UHFFFAOYSA-N -1 3 383.250 3.796 20 10 GHCDHM CCC(CC)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC001147519083 903808472 /nfs/dbraw/zinc/80/84/72/903808472.db2.gz NXVVSOOMBAMTAA-IBGZPJMESA-N -1 3 390.505 3.671 20 10 GHCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])n(-c2ccc(C(F)(F)F)cc2)n1 ZINC001148212108 904007817 /nfs/dbraw/zinc/00/78/17/904007817.db2.gz MGVBKOBEVYBYOM-UHFFFAOYSA-N -1 3 377.322 3.863 20 10 GHCDHM Cn1cc(-c2ccc(C3CCN(C(=O)c4cccc(O)c4[O-])CC3)cc2)cn1 ZINC001148219239 904009915 /nfs/dbraw/zinc/00/99/15/904009915.db2.gz YADBAHZUJFDMNL-UHFFFAOYSA-N -1 3 377.444 3.518 20 10 GHCDHM Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)c2cc(O)c([O-])c(O)c2)c1 ZINC001148581822 904126483 /nfs/dbraw/zinc/12/64/83/904126483.db2.gz BPLDYFFRUXANRQ-UHFFFAOYSA-N -1 3 381.432 3.847 20 10 GHCDHM CC(=O)c1cc(F)cc(CN[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)c1[O-] ZINC001176543256 908137846 /nfs/dbraw/zinc/13/78/46/908137846.db2.gz BLXHLELFWJHDAS-IBGZPJMESA-N -1 3 387.451 3.777 20 10 GHCDHM O=C(Cc1ccnc(C(F)(F)F)c1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001177571845 908647211 /nfs/dbraw/zinc/64/72/11/908647211.db2.gz NRGDMMQZPOUEGQ-UHFFFAOYSA-N -1 3 395.768 3.867 20 10 GHCDHM CC[C@@H](NCc1n[nH]cc1Br)c1cc(Br)ccc1[O-] ZINC000718141027 909623906 /nfs/dbraw/zinc/62/39/06/909623906.db2.gz JACUZMAAASQJRX-LLVKDONJSA-N -1 3 389.091 3.881 20 10 GHCDHM C[C@@](CO)(NCc1c([O-])ccc(Cl)c1F)c1ccc(Br)cc1 ZINC000796472782 917600791 /nfs/dbraw/zinc/60/07/91/917600791.db2.gz XKJLZDLKYMPLGV-INIZCTEOSA-N -1 3 388.664 3.945 20 10 GHCDHM CCc1ccc(CN2CCN(Cc3cc(F)cc(C(C)=O)c3[O-])CC2)s1 ZINC001191113478 917763777 /nfs/dbraw/zinc/76/37/77/917763777.db2.gz XZSOIDCNFKJVCX-UHFFFAOYSA-N -1 3 376.497 3.676 20 10 GHCDHM C[C@H](N[C@@H](Cn1ccccc1=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000800504514 920206680 /nfs/dbraw/zinc/20/66/80/920206680.db2.gz CEKMDMOGRDVFTM-KXBFYZLASA-N -1 3 379.416 3.554 20 10 GHCDHM COc1cc(N2CCN(Cc3cccc(Br)c3[O-])CC2)ccc1F ZINC000802660002 922320058 /nfs/dbraw/zinc/32/00/58/922320058.db2.gz VVJBAGZKFVYSEU-UHFFFAOYSA-N -1 3 395.272 3.625 20 10 GHCDHM Cc1nc(C2CC2)oc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000371888695 924951070 /nfs/dbraw/zinc/95/10/70/924951070.db2.gz QWJCMEXMCKZPMF-INIZCTEOSA-N -1 3 389.883 3.614 20 10 GHCDHM COC(=O)c1cnc([C@@H]2CCCN(Cc3cc(Cl)c(F)cc3[O-])C2)s1 ZINC000827951408 926375692 /nfs/dbraw/zinc/37/56/92/926375692.db2.gz YNUSCNBGVPINQF-SNVBAGLBSA-N -1 3 384.860 3.807 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c1[O-] ZINC000752079949 928595985 /nfs/dbraw/zinc/59/59/85/928595985.db2.gz UHXKBYWMUOGNNU-OCCSQVGLSA-N -1 3 396.915 3.983 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1csc(Cl)n1 ZINC000781959344 931043376 /nfs/dbraw/zinc/04/33/76/931043376.db2.gz UVSFPESGIGLRQC-GFCCVEGCSA-N -1 3 386.304 3.550 20 10 GHCDHM CC[C@@H](Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1ccc(F)cc1[O-] ZINC000796866190 932093464 /nfs/dbraw/zinc/09/34/64/932093464.db2.gz MATASSLEECCBCN-MRXNPFEDSA-N -1 3 377.847 3.684 20 10 GHCDHM C[C@@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593223339 994338754 /nfs/dbraw/zinc/33/87/54/994338754.db2.gz NWCABMYWWOAQJS-LRVUVFPRSA-N -1 3 378.469 3.577 20 10 GHCDHM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(Cc1ccc(N(C)C)cc1C)CC2 ZINC001599466054 998363098 /nfs/dbraw/zinc/36/30/98/998363098.db2.gz VXYXZUPCEHFQAH-HXUWFJFHSA-N -1 3 398.503 3.652 20 10 GHCDHM CCC1(CC)CN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CCS1(=O)=O ZINC000777580491 1017190254 /nfs/dbraw/zinc/19/02/54/1017190254.db2.gz NARRRAWJWKVWTN-UHFFFAOYSA-N -1 3 391.533 3.806 20 10 GHCDHM C[C@@H]1[C@@H](Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)CN1C(=O)OC(C)(C)C ZINC001227940588 1032706796 /nfs/dbraw/zinc/70/67/96/1032706796.db2.gz MXIUNZCGSUKSGR-DYVFJYSZSA-N -1 3 399.443 3.715 20 10 GHCDHM CC(C)(C)OC(=O)N[C@H](C(=O)NCc1c([O-])cccc1F)C1CCCCC1 ZINC001156170282 1032911366 /nfs/dbraw/zinc/91/13/66/1032911366.db2.gz JTXUYKBLTFGNAA-KRWDZBQOSA-N -1 3 380.460 3.621 20 10 GHCDHM [O-]c1cccc(Cl)c1CN1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001140339223 1021446562 /nfs/dbraw/zinc/44/65/62/1021446562.db2.gz GCBPXHLLSGNWLZ-ACWOFJMJSA-N -1 3 394.924 3.698 20 10 GHCDHM [O-]c1cccc(Cl)c1CN1CCCn2cnc(COCc3ccco3)c2C1 ZINC001140339913 1021448100 /nfs/dbraw/zinc/44/81/00/1021448100.db2.gz PCIBLABMQXRIPE-UHFFFAOYSA-N -1 3 387.867 3.958 20 10 GHCDHM COc1cc(N2CCN(Cc3cc(Br)ccc3[O-])CC2)ccc1F ZINC000802659171 1021517410 /nfs/dbraw/zinc/51/74/10/1021517410.db2.gz FGCTVZLMLJMDBP-UHFFFAOYSA-N -1 3 395.272 3.625 20 10 GHCDHM CSCC[C@@H](N[C@@H](C)c1cc(F)cc(F)c1[O-])c1nnc2ccccn21 ZINC000756364967 1023608096 /nfs/dbraw/zinc/60/80/96/1023608096.db2.gz MFGBZXYEGGXICO-XHDPSFHLSA-N -1 3 378.448 3.858 20 10 GHCDHM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2cccc(F)c2[O-])C[C@H]1C(F)(F)F ZINC001138131063 1024186533 /nfs/dbraw/zinc/18/65/33/1024186533.db2.gz OFXJWWRALQZBQA-OCCSQVGLSA-N -1 3 392.393 3.809 20 10 GHCDHM Cc1ccc(N2CCN(Cc3c([O-])ccc4c(C)cc(=O)oc43)CC2)cc1C ZINC001139126838 1025938999 /nfs/dbraw/zinc/93/89/99/1025938999.db2.gz RVGCSLRKCWIRKU-UHFFFAOYSA-N -1 3 378.472 3.746 20 10 GHCDHM [O-]c1c(Br)cc(Br)cc1CN1CC[C@@H]2OCC[C@H]2C1 ZINC001203568846 1027438923 /nfs/dbraw/zinc/43/89/23/1027438923.db2.gz XTCJNBUSLCRRJL-ZANVPECISA-N -1 3 391.103 3.528 20 10 GHCDHM [O-]c1ccc(Cl)cc1CN1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001203659661 1027517295 /nfs/dbraw/zinc/51/72/95/1027517295.db2.gz WZYONNOKLPBFMH-VVFCZOMOSA-N -1 3 394.924 3.698 20 10 GHCDHM [O-]c1c(O)cccc1-c1nc(-c2cc(F)ccc2I)no1 ZINC001215145797 1029058834 /nfs/dbraw/zinc/05/88/34/1029058834.db2.gz JUXVXHMGNXTTFE-UHFFFAOYSA-N -1 3 398.131 3.559 20 10 GHCDHM O=C(NC1CCCC1)[C@H]1CC12CCN(Cc1cc(F)c(Cl)cc1[O-])CC2 ZINC001276967558 1030979414 /nfs/dbraw/zinc/97/94/14/1030979414.db2.gz PCRDEZBMILFREJ-OAHLLOKOSA-N -1 3 380.891 3.846 20 10 GHCDHM O=C1C[C@]2(CN1CC(F)(F)F)CCCCN2Cc1cc(F)c(Cl)cc1[O-] ZINC001276967938 1030982189 /nfs/dbraw/zinc/98/21/89/1030982189.db2.gz VXLMPAHKDKNVQF-INIZCTEOSA-N -1 3 394.796 3.704 20 10 GHCDHM COCc1cc(NCc2cc(Cl)c3cccnc3c2[O-])nc(SC)n1 ZINC001157726532 1033741178 /nfs/dbraw/zinc/74/11/78/1033741178.db2.gz PXNUPKUVXKNDGY-UHFFFAOYSA-N -1 3 376.869 3.864 20 10 GHCDHM NC(=O)c1cc2ccccc2c(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001157726807 1033742637 /nfs/dbraw/zinc/74/26/37/1033742637.db2.gz ADENXGILMVVACB-UHFFFAOYSA-N -1 3 378.819 3.853 20 10 GHCDHM Cc1nc([C@H]2C[C@@H]3CC[N@H+](Cc4ccc(C(=O)[O-])cc4[O-])C[C@H]3O2)sc1C ZINC001231451268 1034596956 /nfs/dbraw/zinc/59/69/56/1034596956.db2.gz WWTYBXQPRFQNGU-MORSLUCNSA-N -1 3 388.489 3.516 20 10 GHCDHM Cc1nc([C@H]2C[C@@H]3CC[N@@H+](Cc4ccc(C(=O)[O-])cc4[O-])C[C@H]3O2)sc1C ZINC001231451268 1034596964 /nfs/dbraw/zinc/59/69/64/1034596964.db2.gz WWTYBXQPRFQNGU-MORSLUCNSA-N -1 3 388.489 3.516 20 10 GHCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](c3ccc(Br)cc3)C2)c([O-])c1 ZINC001231455895 1034598030 /nfs/dbraw/zinc/59/80/30/1034598030.db2.gz WQTRMTKEDKYMOJ-CQSZACIVSA-N -1 3 376.250 3.842 20 10 GHCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H](c3ccc(Br)cc3)C2)c([O-])c1 ZINC001231455895 1034598037 /nfs/dbraw/zinc/59/80/37/1034598037.db2.gz WQTRMTKEDKYMOJ-CQSZACIVSA-N -1 3 376.250 3.842 20 10 GHCDHM CC(C)(C)OC(=O)Nc1cccc2c1CCN(Cc1cc(C(=O)[O-])ccc1O)C2 ZINC001231566404 1034715152 /nfs/dbraw/zinc/71/51/52/1034715152.db2.gz IONKTOOJNIOWJX-UHFFFAOYSA-N -1 3 398.459 3.996 20 10 GHCDHM CC1(C2CCN(Cc3cc(Cl)cc(Br)c3[O-])CC2)OCCO1 ZINC001461968634 1069921172 /nfs/dbraw/zinc/92/11/72/1069921172.db2.gz YFLRSTGGUIVDNE-UHFFFAOYSA-N -1 3 390.705 3.783 20 10 GHCDHM COc1cc([O-])c(CN2Cc3ccc(F)cc3C2)cc1I ZINC001248469681 1035897973 /nfs/dbraw/zinc/89/79/73/1035897973.db2.gz VSKCJIHYXIYKKW-UHFFFAOYSA-N -1 3 399.203 3.660 20 10 GHCDHM CN(Cc1cc(Br)cc(F)c1[O-])C[C@@H]1COc2ccccc2O1 ZINC001462037011 1069960103 /nfs/dbraw/zinc/96/01/03/1069960103.db2.gz GCUSDRCQNDWETF-CYBMUJFWSA-N -1 3 382.229 3.566 20 10 GHCDHM CCOC[C@H]1CN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])Cc2nnn(C)c21 ZINC001248882753 1036222287 /nfs/dbraw/zinc/22/22/87/1036222287.db2.gz NTLQKKRETOJGJF-CQSZACIVSA-N -1 3 392.931 3.608 20 10 GHCDHM COc1cc([O-])c(CN2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1Cl ZINC001232270565 1037993355 /nfs/dbraw/zinc/99/33/55/1037993355.db2.gz FOBBBVDGKFMXGJ-STQMWFEESA-N -1 3 384.904 3.884 20 10 GHCDHM COc1cc([O-])c(CN2CCN(c3ccc4c(c3)CCC4=O)CC2)cc1Cl ZINC001232270508 1037993562 /nfs/dbraw/zinc/99/35/62/1037993562.db2.gz CMWTYVJZRXFSQW-UHFFFAOYSA-N -1 3 386.879 3.505 20 10 GHCDHM COc1cc2c(cc1OC)CN(Cc1cc(Br)c(OC)cc1[O-])C2 ZINC001233141487 1038920775 /nfs/dbraw/zinc/92/07/75/1038920775.db2.gz IJWZLDCLMIUWSN-UHFFFAOYSA-N -1 3 394.265 3.696 20 10 GHCDHM CC(C)c1nccc([C@@H]2C[C@@H]3CCN(Cc4c([O-])ccc(F)c4F)C[C@H]3O2)n1 ZINC001233333313 1039133917 /nfs/dbraw/zinc/13/39/17/1039133917.db2.gz RHXLRVPZDOMNON-FASAQXTFSA-N -1 3 389.446 3.936 20 10 GHCDHM [O-]c1ccc(F)c(F)c1CN1CCCN(c2ncccc2C(F)(F)F)CC1 ZINC001233335213 1039139078 /nfs/dbraw/zinc/13/90/78/1039139078.db2.gz LZFXAWWLVHLPLB-UHFFFAOYSA-N -1 3 387.352 3.797 20 10 GHCDHM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416561 1039271167 /nfs/dbraw/zinc/27/11/67/1039271167.db2.gz MXUPFGNJDRTFPX-OKILXGFUSA-N -1 3 386.414 3.995 20 10 GHCDHM O=C1CCc2cc(N3CCN(Cc4ccc(C(F)(F)F)cc4[O-])CC3)ccc21 ZINC001233455575 1039346312 /nfs/dbraw/zinc/34/63/12/1039346312.db2.gz QLEYTKBSPZTKPL-UHFFFAOYSA-N -1 3 390.405 3.862 20 10 GHCDHM CC(=O)[C@@H](Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12)c1ccccc1 ZINC001234748929 1040273847 /nfs/dbraw/zinc/27/38/47/1040273847.db2.gz NSMUKBYOARHOGD-JOCHJYFZSA-N -1 3 392.363 3.772 20 10 GHCDHM CC(=O)[C@@H](Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12)c1ccccc1 ZINC001234748929 1040273865 /nfs/dbraw/zinc/27/38/65/1040273865.db2.gz NSMUKBYOARHOGD-JOCHJYFZSA-N -1 3 392.363 3.772 20 10 GHCDHM O=c1c2cc(O)c(O)cc2oc2cc([O-])cc(O[C@@H]3CCOc4ccccc43)c12 ZINC001234748122 1040275376 /nfs/dbraw/zinc/27/53/76/1040275376.db2.gz FTHXBMTVUGHDNJ-QGZVFWFLSA-N -1 3 392.363 3.966 20 10 GHCDHM CN1CCN(Cc2cc(Br)cc(F)c2[O-])C[C@@H]1c1ccccc1 ZINC001235065407 1040554204 /nfs/dbraw/zinc/55/42/04/1040554204.db2.gz PUXFJMBJLBORRK-QGZVFWFLSA-N -1 3 379.273 3.783 20 10 GHCDHM CCOC(=O)C[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C[C@@H]1C ZINC001235074912 1040563983 /nfs/dbraw/zinc/56/39/83/1040563983.db2.gz IJQXCELVXCDZFP-RYUDHWBXSA-N -1 3 388.277 3.705 20 10 GHCDHM [O-]c1c(Br)cc(F)cc1CN1CC2(CN(Cc3ccccc3)C2)C1 ZINC001235304260 1040777925 /nfs/dbraw/zinc/77/79/25/1040777925.db2.gz VSWIWFPXYPWZGU-UHFFFAOYSA-N -1 3 391.284 3.612 20 10 GHCDHM COC(=O)CCN(Cc1ccco1)Cc1cc(C)cc(Br)c1[O-] ZINC001236665198 1041811836 /nfs/dbraw/zinc/81/18/36/1041811836.db2.gz HTTWUIWCWUQVIY-UHFFFAOYSA-N -1 3 382.254 3.621 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@@H](Oc3cc(C)ncn3)C2)c1 ZINC001236669437 1041817529 /nfs/dbraw/zinc/81/75/29/1041817529.db2.gz JKPYRUIVRNCVKW-OAHLLOKOSA-N -1 3 392.297 3.605 20 10 GHCDHM COc1cc([O-])c(CN2C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]2C)c(Cl)c1 ZINC001236803419 1041906024 /nfs/dbraw/zinc/90/60/24/1041906024.db2.gz NSSZRPUFQLKVEP-OLZOCXBDSA-N -1 3 384.904 3.932 20 10 GHCDHM COc1ccc(CN2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)c([O-])c1Cl ZINC001236810313 1041910446 /nfs/dbraw/zinc/91/04/46/1041910446.db2.gz SMAAOCVYSGXXAP-CQSZACIVSA-N -1 3 384.904 3.886 20 10 GHCDHM COc1cc([O-])c(CN2CCC(=O)[C@@H](C)C23CCCC3)c(Br)c1 ZINC001237069089 1042019300 /nfs/dbraw/zinc/01/93/00/1042019300.db2.gz YNPVSMRFLZOUIP-GFCCVEGCSA-N -1 3 382.298 3.887 20 10 GHCDHM [O-]c1c(F)cc(Cl)cc1CN1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001237619175 1042285992 /nfs/dbraw/zinc/28/59/92/1042285992.db2.gz NOXUHIWLXGJXHR-FUHWJXTLSA-N -1 3 394.849 3.661 20 10 GHCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC001462616903 1070416208 /nfs/dbraw/zinc/41/62/08/1070416208.db2.gz GFWHXWIVMBMHTA-SECBINFHSA-N -1 3 375.753 3.983 20 10 GHCDHM CC(C)n1nc(CN(C)C)c2c1CN(Cc1cc(F)c(Cl)cc1[O-])CC2 ZINC001237938541 1042429291 /nfs/dbraw/zinc/42/92/91/1042429291.db2.gz KBMXLQCYQWKGAJ-UHFFFAOYSA-N -1 3 380.895 3.582 20 10 GHCDHM COc1cccc(C(=O)NC2CCN(Cc3cc(F)c(Cl)cc3[O-])CC2)c1 ZINC001237939927 1042430435 /nfs/dbraw/zinc/43/04/35/1042430435.db2.gz HYXIJNKPHITCLR-UHFFFAOYSA-N -1 3 392.858 3.588 20 10 GHCDHM CC(=O)[N-]C(=O)c1cccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c1C ZINC001256992338 1043790755 /nfs/dbraw/zinc/79/07/55/1043790755.db2.gz PJEVNIWUDPGSDY-UHFFFAOYSA-N -1 3 386.411 3.779 20 10 GHCDHM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(O)cc1Br ZINC001258937085 1044892361 /nfs/dbraw/zinc/89/23/61/1044892361.db2.gz HAGNCKFRVYQYBS-UHFFFAOYSA-N -1 3 392.658 3.618 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@@H](c2nccs2)C1 ZINC001263114870 1046563126 /nfs/dbraw/zinc/56/31/26/1046563126.db2.gz BPPFFEPRGYCQDT-LLVKDONJSA-N -1 3 398.517 3.731 20 10 GHCDHM Cc1ncsc1CN1CC2(C1)CN(Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001279664206 1047903549 /nfs/dbraw/zinc/90/35/49/1047903549.db2.gz WUFPLDQJLIYQLF-UHFFFAOYSA-N -1 3 384.332 3.782 20 10 GHCDHM CCn1ccnc1CN1CC[C@H]2[C@@H]1CCN2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001279665258 1047905188 /nfs/dbraw/zinc/90/51/88/1047905188.db2.gz KAERVEFGSPVNOP-IRXDYDNUSA-N -1 3 395.334 3.764 20 10 GHCDHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(N3CCN(C)CC3)c(F)c2)CC)n1 ZINC001344083803 1054234890 /nfs/dbraw/zinc/23/48/90/1054234890.db2.gz NEVXWKYNYNVCNC-LGMDPLHJSA-N -1 3 384.499 3.564 20 10 GHCDHM COC[C@H]1CCCN(c2nnc(-c3sc4ncccc4c3[O-])n2CC2CC2)C1 ZINC001345295726 1054976637 /nfs/dbraw/zinc/97/66/37/1054976637.db2.gz OJFWTXYJZZBKCB-AWEZNQCLSA-N -1 3 399.520 3.533 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ncc(Cl)s1 ZINC001321477283 1056281884 /nfs/dbraw/zinc/28/18/84/1056281884.db2.gz BYAYGUPUHGDFBW-GFCCVEGCSA-N -1 3 386.304 3.550 20 10 GHCDHM COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]3C)c2c1 ZINC000848502351 1057135854 /nfs/dbraw/zinc/13/58/54/1057135854.db2.gz REGWRDRYNMTZSM-SJKOYZFVSA-N -1 3 396.409 3.585 20 10 GHCDHM COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]3C)c2c1 ZINC000848502351 1057135858 /nfs/dbraw/zinc/13/58/58/1057135858.db2.gz REGWRDRYNMTZSM-SJKOYZFVSA-N -1 3 396.409 3.585 20 10 GHCDHM CCCO[C@H]1CCCN(c2nnc(-c3sc4ncccc4c3[O-])n2C)CC1 ZINC001338589772 1058663215 /nfs/dbraw/zinc/66/32/15/1058663215.db2.gz WAWGJWHTDRGJIR-ZDUSSCGKSA-N -1 3 387.509 3.583 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCCC[C@@H](COC)C1 ZINC001341733924 1060847118 /nfs/dbraw/zinc/84/71/18/1060847118.db2.gz WXNNCCOXIDFRKN-CYBMUJFWSA-N -1 3 387.509 3.533 20 10 GHCDHM COCC1=CCN(c2nnc(-c3sc4ncccc4c3[O-])n2CC(C)C)CC1 ZINC001347310417 1062287916 /nfs/dbraw/zinc/28/79/16/1062287916.db2.gz QPOCOIROZPHQFA-UHFFFAOYSA-N -1 3 399.520 3.699 20 10 GHCDHM COc1ccc(C2=NO[C@H](CNCc3c([O-])ccc(Cl)c3F)C2)cc1F ZINC001474690830 1074516963 /nfs/dbraw/zinc/51/69/63/1074516963.db2.gz HAOLHFDMIYRLMP-NSHDSACASA-N -1 3 382.794 3.615 20 10 GHCDHM CC[C@H]1CCCCN1C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736398511 598608756 /nfs/dbraw/zinc/60/87/56/598608756.db2.gz AZOWGBHITLQIBO-KRWDZBQOSA-N -1 3 378.480 3.679 20 10 GHCDHM COc1ccc(NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)cc1 ZINC000737103958 598609110 /nfs/dbraw/zinc/60/91/10/598609110.db2.gz MKAODDJXYWOANP-UHFFFAOYSA-N -1 3 388.431 3.535 20 10 GHCDHM CCN(C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C1CCCC1 ZINC000736506471 598610055 /nfs/dbraw/zinc/61/00/55/598610055.db2.gz ZKDUTMOAIJSEOL-UHFFFAOYSA-N -1 3 378.480 3.679 20 10 GHCDHM Cc1cc(-c2nc(-c3cccc(N)c3)no2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737222270 598611067 /nfs/dbraw/zinc/61/10/67/598611067.db2.gz VYUKPHULGQDNCJ-UHFFFAOYSA-N -1 3 398.430 3.573 20 10 GHCDHM Cc1cc(C(=O)NC2(c3ccccc3)CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235137 598611884 /nfs/dbraw/zinc/61/18/84/598611884.db2.gz QWIBNSFCNKPVMD-UHFFFAOYSA-N -1 3 398.470 3.693 20 10 GHCDHM Cc1cc(C(=O)N2C[C@H](C)CC[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822169015 599548694 /nfs/dbraw/zinc/54/86/94/599548694.db2.gz WKOZYRSVOKCMBG-KGLIPLIRSA-N -1 3 378.480 3.535 20 10 GHCDHM O=C([O-])[C@H]1CC12CC[NH+](Cc1c([O-])ccc3cc(Br)ccc31)CC2 ZINC000739532558 600281076 /nfs/dbraw/zinc/28/10/76/600281076.db2.gz NNTCOYXGHUZTEP-MRXNPFEDSA-N -1 3 390.277 3.995 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCC(NC(=O)c3ccccc3)CC2)c1[O-] ZINC000177241300 836164437 /nfs/dbraw/zinc/16/44/37/836164437.db2.gz MZMGCKZEFLMGFA-UHFFFAOYSA-N -1 3 386.879 3.643 20 10 GHCDHM CC1CCN(c2ccc(C[N-]S(=O)(=O)c3c(F)cccc3F)cc2)CC1 ZINC000731038534 861424495 /nfs/dbraw/zinc/42/44/95/861424495.db2.gz JRMPRADOMHGDPG-UHFFFAOYSA-N -1 3 380.460 3.680 20 10 GHCDHM COC(=O)CN(Cc1ccc(Br)cc1)Cc1cc(Cl)ccc1[O-] ZINC000731845045 861904068 /nfs/dbraw/zinc/90/40/68/861904068.db2.gz OUDQADJCZSKTOI-UHFFFAOYSA-N -1 3 398.684 3.983 20 10 GHCDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3=CC(=O)CS3)cc2)cc1 ZINC000731866649 861936909 /nfs/dbraw/zinc/93/69/09/861936909.db2.gz VBPJBPNBSQCAFA-UHFFFAOYSA-N -1 3 388.470 3.815 20 10 GHCDHM [O-]c1c(I)cccc1CN1CCC(C(F)(F)F)CC1 ZINC001237776192 864271765 /nfs/dbraw/zinc/27/17/65/864271765.db2.gz IVRLPDAQHXZQJD-UHFFFAOYSA-N -1 3 385.167 3.771 20 10 GHCDHM CCOC(=O)c1c[nH]c2c1ncnc2NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168527009 865060858 /nfs/dbraw/zinc/06/08/58/865060858.db2.gz BDUARZCIAOTVFN-UHFFFAOYSA-N -1 3 397.822 3.654 20 10 GHCDHM CCCc1ncc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)s1 ZINC000857472966 882287520 /nfs/dbraw/zinc/28/75/20/882287520.db2.gz PYWRLCRTBGHLFR-HNNXBMFYSA-N -1 3 393.940 3.849 20 10 GHCDHM COC(=O)c1ccc([N+](=O)[O-])c(NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001168526021 871056930 /nfs/dbraw/zinc/05/69/30/871056930.db2.gz PSPWRINRRVXVDN-UHFFFAOYSA-N -1 3 387.779 3.901 20 10 GHCDHM CCCOC(=O)N1CCc2c(Cl)c([O-])c(O)cc2[C@@H](c2ccc(O)cc2)C1 ZINC001194113574 871484636 /nfs/dbraw/zinc/48/46/36/871484636.db2.gz WUAHENJPGKTBOJ-MRXNPFEDSA-N -1 3 391.851 3.993 20 10 GHCDHM O=S(=O)([N-]Cc1ccc(N2CCCCC2)cc1)c1cnccc1C(F)(F)F ZINC000785489159 871976947 /nfs/dbraw/zinc/97/69/47/871976947.db2.gz RRVGKNQCNIXARI-UHFFFAOYSA-N -1 3 399.438 3.569 20 10 GHCDHM O=C(NC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1)c1ccc(F)cc1 ZINC000775650347 872351425 /nfs/dbraw/zinc/35/14/25/872351425.db2.gz YPEASUUKGAMDMI-UHFFFAOYSA-N -1 3 380.822 3.718 20 10 GHCDHM Cc1cccc(NC(=O)[C@H]2CCCN(Cc3cc(Cl)cc(F)c3[O-])C2)n1 ZINC000775653663 872368496 /nfs/dbraw/zinc/36/84/96/872368496.db2.gz MBZYGIAJKCLCAK-ZDUSSCGKSA-N -1 3 377.847 3.739 20 10 GHCDHM C=CS(=O)(=O)[N-]c1ccc(Br)cc1C(=O)c1ccccc1F ZINC001198610985 874519478 /nfs/dbraw/zinc/51/94/78/874519478.db2.gz SCUFWGPGHYAHRA-UHFFFAOYSA-N -1 3 384.226 3.704 20 10 GHCDHM CC(=O)c1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)s1 ZINC000771060826 875016171 /nfs/dbraw/zinc/01/61/71/875016171.db2.gz ZEWQNNJBWKPSFO-OAHLLOKOSA-N -1 3 392.908 3.704 20 10 GHCDHM O=C(Nc1ccccc1F)Nc1ccc([O-])c2c1C(=O)c1ccccc1C2=O ZINC001202001691 875977135 /nfs/dbraw/zinc/97/71/35/875977135.db2.gz HYCNSWOYGOXCNZ-UHFFFAOYSA-N -1 3 376.343 3.951 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c1[O-] ZINC000787996243 877765581 /nfs/dbraw/zinc/76/55/81/877765581.db2.gz VVTNWGJKPMAVRU-OAQYLSRUSA-N -1 3 392.471 3.709 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H]2CCc3ccccc3-n3ccnc32)c1 ZINC000853240914 878925305 /nfs/dbraw/zinc/92/53/05/878925305.db2.gz JNFIDFBOJJLJGF-RDTXWAMCSA-N -1 3 377.444 3.703 20 10 GHCDHM Cc1oc2c(ccc([O-])c2CN2C[C@H]3COC[C@@]3(C)C2)c(=O)c1-c1ccccc1 ZINC000853567726 879124461 /nfs/dbraw/zinc/12/44/61/879124461.db2.gz XAECQUVZLNFUMQ-BXKMTCNYSA-N -1 3 391.467 3.942 20 10 GHCDHM Cn1cccc1C(=O)N1CCN(Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000853618600 879175651 /nfs/dbraw/zinc/17/56/51/879175651.db2.gz LHVHHQSPDQEBBT-UHFFFAOYSA-N -1 3 389.455 3.588 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1CCc2ccccc2[C@H]1O ZINC001183393482 912473319 /nfs/dbraw/zinc/47/33/19/912473319.db2.gz MRYONLMALXOREQ-OXJNMPFZSA-N -1 3 382.847 3.506 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000790524846 879792004 /nfs/dbraw/zinc/79/20/04/879792004.db2.gz CGMQQHROBUUQBJ-UHFFFAOYSA-N -1 3 387.233 3.540 20 10 GHCDHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001142509190 884312376 /nfs/dbraw/zinc/31/23/76/884312376.db2.gz ZZJWWBMYWAKWCL-FQEVSTJZSA-N -1 3 382.451 3.893 20 10 GHCDHM COC(=O)c1ccc(Cl)c(CNCc2cccc(Br)c2[O-])c1 ZINC000795980645 913121846 /nfs/dbraw/zinc/12/18/46/913121846.db2.gz JRHMBAFHEBXWRN-UHFFFAOYSA-N -1 3 384.657 3.885 20 10 GHCDHM [O-]c1c(F)cc(Cl)cc1CN[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000814177432 892342825 /nfs/dbraw/zinc/34/28/25/892342825.db2.gz BUYYGGXVIBUBQY-AWEZNQCLSA-N -1 3 392.627 3.910 20 10 GHCDHM CC(=O)c1cc(F)cc(CN(C)[C@H](CO)c2cccc(Br)c2)c1[O-] ZINC000125632021 892841604 /nfs/dbraw/zinc/84/16/04/892841604.db2.gz LGKODRJPSAGSEX-QGZVFWFLSA-N -1 3 396.256 3.662 20 10 GHCDHM CN(c1ccccc1NCc1cc(Cl)c2cccnc2c1[O-])S(C)(=O)=O ZINC001168523547 893222370 /nfs/dbraw/zinc/22/23/70/893222370.db2.gz PGSATMBBYWXLGF-UHFFFAOYSA-N -1 3 391.880 3.602 20 10 GHCDHM C[C@@H](Nc1cccc(N2C(=O)CN(C)C2=O)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000815611551 894042410 /nfs/dbraw/zinc/04/24/10/894042410.db2.gz NNQQUEYDBGHJCM-LLVKDONJSA-N -1 3 393.365 3.983 20 10 GHCDHM C[C@@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1cccc(C(F)(F)F)c1[O-] ZINC000815601625 894064133 /nfs/dbraw/zinc/06/41/33/894064133.db2.gz AFHVXKVCZPUWQU-GFCCVEGCSA-N -1 3 379.382 3.520 20 10 GHCDHM COc1c([O-])c(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000774864571 913848095 /nfs/dbraw/zinc/84/80/95/913848095.db2.gz RMYRNCRFYIAQIS-KRWDZBQOSA-N -1 3 390.411 3.629 20 10 GHCDHM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000748049651 894559728 /nfs/dbraw/zinc/55/97/28/894559728.db2.gz NRCKZIZNSWQJIO-UKRRQHHQSA-N -1 3 380.916 3.765 20 10 GHCDHM O=C(Nc1ccccc1)NC1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816496237 894862849 /nfs/dbraw/zinc/86/28/49/894862849.db2.gz BIDPIONSCQJXGT-UHFFFAOYSA-N -1 3 377.847 3.971 20 10 GHCDHM O=C(NC[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1)c1ccccc1 ZINC000816499776 894878227 /nfs/dbraw/zinc/87/82/27/894878227.db2.gz ZWAAJVMPFSPXAN-AWEZNQCLSA-N -1 3 376.859 3.827 20 10 GHCDHM CCOC(=O)c1cnn(C2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)c1C ZINC000816608070 894970574 /nfs/dbraw/zinc/97/05/74/894970574.db2.gz OAOFSPBLLHUNIZ-UHFFFAOYSA-N -1 3 395.862 3.703 20 10 GHCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000816996604 895247849 /nfs/dbraw/zinc/24/78/49/895247849.db2.gz PYQKTIGFJITFAJ-BZNIZROVSA-N -1 3 381.350 3.719 20 10 GHCDHM COc1c([O-])c(CN2CCC[C@H](C(=O)c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000774904751 913996474 /nfs/dbraw/zinc/99/64/74/913996474.db2.gz VRNPFHFZNAWZKT-AWEZNQCLSA-N -1 3 388.395 3.543 20 10 GHCDHM COC(=O)c1cnc([C@@H](C)N[C@@H](C)c2cc(Br)ccc2[O-])s1 ZINC000818358351 896145286 /nfs/dbraw/zinc/14/52/86/896145286.db2.gz WWXALQAQBWXDEJ-DTWKUNHWSA-N -1 3 385.283 3.810 20 10 GHCDHM CC(C)C(=O)N1CCC[C@]12CCN(Cc1cc(Br)c(F)cc1[O-])C2 ZINC001144299815 901652268 /nfs/dbraw/zinc/65/22/68/901652268.db2.gz JJOLHRZGYSDBNB-GOSISDBHSA-N -1 3 399.304 3.517 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000778981767 902490496 /nfs/dbraw/zinc/49/04/96/902490496.db2.gz QQCSKMRUVKKGNP-JSGCOSHPSA-N -1 3 396.915 3.983 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](Cc2ccccc2)c2nccn2C)c1 ZINC000846206541 902755674 /nfs/dbraw/zinc/75/56/74/902755674.db2.gz DIXNPVIXXHURMH-HNAYVOBHSA-N -1 3 379.460 3.547 20 10 GHCDHM CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148580658 904126396 /nfs/dbraw/zinc/12/63/96/904126396.db2.gz JIBDYQRBLPAWDI-UHFFFAOYSA-N -1 3 399.424 3.961 20 10 GHCDHM CCOP(=O)(Cc1ccc(NC(=O)c2cc(O)c([O-])c(O)c2)cc1)OCC ZINC001148586441 904127498 /nfs/dbraw/zinc/12/74/98/904127498.db2.gz OTFPIDNIHMKHNK-UHFFFAOYSA-N -1 3 395.348 3.822 20 10 GHCDHM CC(C)(c1ccc(N)cc1)c1ccc(NC(=O)c2cc(O)c([O-])c(O)c2)cc1 ZINC001148588666 904129313 /nfs/dbraw/zinc/12/93/13/904129313.db2.gz ZEUYWUCDUAWTSV-UHFFFAOYSA-N -1 3 378.428 3.964 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2c3cc(F)ccc3OC[C@@H]2CCO)c1[O-] ZINC001171677974 904920031 /nfs/dbraw/zinc/92/00/31/904920031.db2.gz MZPHNKLKUQZVRJ-HNNXBMFYSA-N -1 3 379.815 3.537 20 10 GHCDHM O=C1[C@@H](NCc2c([O-])ccc(Cl)c2F)CCN1c1ccc(F)c(Cl)c1 ZINC001178344171 909007082 /nfs/dbraw/zinc/00/70/82/909007082.db2.gz YKGBUIVHOVGMIR-AWEZNQCLSA-N -1 3 387.213 3.872 20 10 GHCDHM [O-]c1c(F)cc(Br)cc1CNCc1cccc2c1OC(F)(F)O2 ZINC001179252936 909442318 /nfs/dbraw/zinc/44/23/18/909442318.db2.gz LSPBIKGXQVKAGC-UHFFFAOYSA-N -1 3 390.155 3.905 20 10 GHCDHM O=C(Cc1cc(F)c(F)c(F)c1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001179959483 909868559 /nfs/dbraw/zinc/86/85/59/909868559.db2.gz SEAGYZRJPAYHFN-UHFFFAOYSA-N -1 3 380.753 3.870 20 10 GHCDHM Cc1ccc([C@H](NCc2cc(Cl)c(F)cc2[O-])[C@H](C)S(C)(=O)=O)cc1 ZINC000294720768 916946233 /nfs/dbraw/zinc/94/62/33/916946233.db2.gz PJERKQCAUCWFEM-KPZWWZAWSA-N -1 3 385.888 3.757 20 10 GHCDHM Cc1ccc([C@H](NCc2cc(Cl)c(F)cc2[O-])[C@@H](C)S(C)(=O)=O)cc1 ZINC000294720773 916946933 /nfs/dbraw/zinc/94/69/33/916946933.db2.gz PJERKQCAUCWFEM-KZULUSFZSA-N -1 3 385.888 3.757 20 10 GHCDHM CNC(=O)Nc1cc(NCc2cc(C)cc(Br)c2[O-])ccc1F ZINC000796467473 917577354 /nfs/dbraw/zinc/57/73/54/917577354.db2.gz DQYCZICLBMYHRG-UHFFFAOYSA-N -1 3 382.233 3.966 20 10 GHCDHM C[C@H](NCc1cn(C)nc1Br)c1cccc(C(F)(F)F)c1[O-] ZINC000903187364 922842362 /nfs/dbraw/zinc/84/23/62/922842362.db2.gz BIQSRXZURLYOSM-QMMMGPOBSA-N -1 3 378.192 3.758 20 10 GHCDHM COC(=O)CCN(Cc1ccc(F)c(F)c1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000750820308 927872684 /nfs/dbraw/zinc/87/26/84/927872684.db2.gz OOZQUTAUAWDBHV-UHFFFAOYSA-N -1 3 395.377 3.577 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)c1[O-] ZINC000750827102 927878724 /nfs/dbraw/zinc/87/87/24/927878724.db2.gz ILZXVYRSONYTJT-INIZCTEOSA-N -1 3 380.460 3.565 20 10 GHCDHM Cc1sc2[n-]c([C@@H](C)OC(=O)C=Cc3ccc(O)c(O)c3)nc(=O)c2c1C ZINC000759588307 930414549 /nfs/dbraw/zinc/41/45/49/930414549.db2.gz KJMJVGGGJNGYEB-ONRRBMGISA-N -1 3 386.429 3.743 20 10 GHCDHM O=S(=O)([N-]c1ccc(O)cc1F)c1ccc(Cl)cc1Br ZINC000799124172 932883582 /nfs/dbraw/zinc/88/35/82/932883582.db2.gz MMDJXXNVHAACGW-UHFFFAOYSA-N -1 3 380.622 3.748 20 10 GHCDHM CCN1CCN(c2cccc(NC(=O)c3ccc4[n-]c(=S)oc4c3)c2)CC1 ZINC000187400656 934280032 /nfs/dbraw/zinc/28/00/32/934280032.db2.gz DLDKRVDKFLQZBK-UHFFFAOYSA-N -1 3 382.489 3.511 20 10 GHCDHM [O-]c1cccc(F)c1CN1CCO[C@]2(CCC[C@H]2COCc2ccccn2)C1 ZINC001137834823 935814182 /nfs/dbraw/zinc/81/41/82/935814182.db2.gz VEGXJKWJKCWIQZ-HTAPYJJXSA-N -1 3 386.467 3.514 20 10 GHCDHM C[C@@H]([NH2+][C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593220171 994309303 /nfs/dbraw/zinc/30/93/03/994309303.db2.gz QZJMEPJRILDBRI-CXAGYDPISA-N -1 3 390.480 3.531 20 10 GHCDHM COc1ccc([C@H](C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])N2CCCC2)cc1 ZINC001599515028 997369860 /nfs/dbraw/zinc/36/98/60/997369860.db2.gz CHDRJHGOUVOPEO-YWZLYKJASA-N -1 3 384.476 3.587 20 10 GHCDHM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001154797269 1032288652 /nfs/dbraw/zinc/28/86/52/1032288652.db2.gz MCJDLIMVRTYVRL-UHFFFAOYSA-N -1 3 376.460 3.706 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cccc2cc(O)cnc21 ZINC001155110655 1032419337 /nfs/dbraw/zinc/41/93/37/1032419337.db2.gz WNYPCQIXMZYAMI-UHFFFAOYSA-N -1 3 379.803 3.778 20 10 GHCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1OC[C@@H]1CC[C@]2(CCCCO2)O1 ZINC001227941571 1032706297 /nfs/dbraw/zinc/70/62/97/1032706297.db2.gz WLHQJQAHFAWAQC-AOMKIAJQSA-N -1 3 384.428 3.783 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2nnc(C3CCOCC3)s2)c1 ZINC000834474917 1021212371 /nfs/dbraw/zinc/21/23/71/1021212371.db2.gz HZDPSKKZTSUSMV-UHFFFAOYSA-N -1 3 384.299 3.821 20 10 GHCDHM COc1c([O-])c(CNCc2sc(C)cc2Br)ccc1[N+](=O)[O-] ZINC000827260612 1021998083 /nfs/dbraw/zinc/99/80/83/1021998083.db2.gz PPLOCFBCPQPHQX-UHFFFAOYSA-N -1 3 387.255 3.731 20 10 GHCDHM COCCOc1ncccc1CN[C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756430925 1023644750 /nfs/dbraw/zinc/64/47/50/1023644750.db2.gz KFUFQFPDZCZIHW-NSHDSACASA-N -1 3 399.260 3.565 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2nn(-c3ccccc3)c3c2CCC3)c1 ZINC000756449492 1023657840 /nfs/dbraw/zinc/65/78/40/1023657840.db2.gz MZRLPCUSEONNSO-OAHLLOKOSA-N -1 3 391.471 3.704 20 10 GHCDHM Cc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(OC[C@H]2CCOC2)c1 ZINC000756648747 1023753681 /nfs/dbraw/zinc/75/36/81/1023753681.db2.gz ZJJQEAMSRVFSKN-CVEARBPZSA-N -1 3 386.448 3.875 20 10 GHCDHM COc1ccccc1[C@H](CO)N[C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756713181 1023784889 /nfs/dbraw/zinc/78/48/89/1023784889.db2.gz VWKWQEAQEYGLMG-BONVTDFDSA-N -1 3 384.245 3.687 20 10 GHCDHM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cccc(F)c2[O-])C[C@H]1C(F)(F)F ZINC001138131064 1024186578 /nfs/dbraw/zinc/18/65/78/1024186578.db2.gz OFXJWWRALQZBQA-TZMCWYRMSA-N -1 3 392.393 3.809 20 10 GHCDHM CCOc1ccccc1N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC001140098591 1026874827 /nfs/dbraw/zinc/87/48/27/1026874827.db2.gz GJVDFOHHTRQWTO-UHFFFAOYSA-N -1 3 391.309 3.876 20 10 GHCDHM COc1ccc(N2CCN(Cc3c([O-])cccc3Br)CC2)c(C)c1 ZINC001140102406 1026882076 /nfs/dbraw/zinc/88/20/76/1026882076.db2.gz PSCIDSVBLCYLIL-UHFFFAOYSA-N -1 3 391.309 3.794 20 10 GHCDHM O=C(C[C@H]1[C@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]12)NCc1ccco1 ZINC001203578549 1027447466 /nfs/dbraw/zinc/44/74/66/1027447466.db2.gz NNXILSCZLZYBQV-MUJYYYPQSA-N -1 3 395.286 3.676 20 10 GHCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccc(Br)c(Cl)c2)no1 ZINC001215325191 1029153677 /nfs/dbraw/zinc/15/36/77/1029153677.db2.gz GDGSLQIISHGSCZ-UHFFFAOYSA-N -1 3 383.585 3.936 20 10 GHCDHM Cc1c(Br)ccc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)c1F ZINC001215325105 1029153836 /nfs/dbraw/zinc/15/38/36/1029153836.db2.gz AQHLFVYYYAFUKN-UHFFFAOYSA-N -1 3 381.157 3.730 20 10 GHCDHM Cc1cc(Br)c(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)cc1F ZINC001215327465 1029154616 /nfs/dbraw/zinc/15/46/16/1029154616.db2.gz CAROZKCWNNUUBN-UHFFFAOYSA-N -1 3 381.157 3.730 20 10 GHCDHM [O-]c1c(O)cc(-c2nc(-c3ccc(F)c(Br)c3F)no2)cc1O ZINC001215327677 1029155277 /nfs/dbraw/zinc/15/52/77/1029155277.db2.gz NTOGFDNWEVMGRG-UHFFFAOYSA-N -1 3 385.120 3.561 20 10 GHCDHM CCc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1[O-] ZINC001142713630 1029314437 /nfs/dbraw/zinc/31/44/37/1029314437.db2.gz XIAFNQGAMVCASK-HXUWFJFHSA-N -1 3 382.504 3.842 20 10 GHCDHM COc1ccc(N2CCN(C(=O)c3cc4sccc4c([O-])c3)CC2)c(OC)c1 ZINC001150480106 1030541762 /nfs/dbraw/zinc/54/17/62/1030541762.db2.gz ONBPQNVYWNHTGC-UHFFFAOYSA-N -1 3 398.484 3.587 20 10 GHCDHM O=S(=O)(c1cccc(NCc2cccc(F)c2[O-])c1)N1CCCCCC1 ZINC001205736512 1033551802 /nfs/dbraw/zinc/55/18/02/1033551802.db2.gz SPRBMHHIQRCDKS-UHFFFAOYSA-N -1 3 378.469 3.708 20 10 GHCDHM [O-]c1c(Br)cc(Cl)cc1CN1CC[C@](CO)(c2ccccc2)C1 ZINC001462272804 1070136665 /nfs/dbraw/zinc/13/66/65/1070136665.db2.gz FQEOUQCIHHHWSY-SFHVURJKSA-N -1 3 396.712 3.944 20 10 GHCDHM C[C@@]1(CF)CC(F)(F)CN1Cc1ccc(I)cc1[O-] ZINC001232975327 1038746362 /nfs/dbraw/zinc/74/63/62/1038746362.db2.gz AGMGRTIGHOOIRU-LBPRGKRZSA-N -1 3 385.167 3.566 20 10 GHCDHM C[C@@H]1C(=O)CCN(Cc2ccc(I)cc2[O-])C12CCCC2 ZINC001232977603 1038746492 /nfs/dbraw/zinc/74/64/92/1038746492.db2.gz GILZTBSJYORDSH-GFCCVEGCSA-N -1 3 399.272 3.721 20 10 GHCDHM CN(Cc1nc2ccccc2o1)Cc1ccc(I)cc1[O-] ZINC001232979668 1038747261 /nfs/dbraw/zinc/74/72/61/1038747261.db2.gz IEIZPZGBICPCJA-UHFFFAOYSA-N -1 3 394.212 3.770 20 10 GHCDHM [O-]c1cc(I)ccc1CN1Cc2cnc(Cl)cc2C1 ZINC001232977676 1038747844 /nfs/dbraw/zinc/74/78/44/1038747844.db2.gz IJHNVLIKZRUNAS-UHFFFAOYSA-N -1 3 386.620 3.561 20 10 GHCDHM CC(C)S(=O)(=O)[N-]c1ccccc1C(=O)c1ccc(Br)cc1 ZINC001252514050 1039015549 /nfs/dbraw/zinc/01/55/49/1039015549.db2.gz RPJDMKRWCAGCRR-UHFFFAOYSA-N -1 3 382.279 3.830 20 10 GHCDHM COc1c(O[C@H]2CCOC(C)(C)C2)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234132498 1039873102 /nfs/dbraw/zinc/87/31/02/1039873102.db2.gz PYTRHEFGMMEPIC-ZDUSSCGKSA-N -1 3 396.439 3.821 20 10 GHCDHM Cc1cccnc1N1CCCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001235065253 1040554772 /nfs/dbraw/zinc/55/47/72/1040554772.db2.gz NUOQEWYYRUZKHG-UHFFFAOYSA-N -1 3 394.288 3.710 20 10 GHCDHM [O-]c1c(Br)cc(F)cc1CN1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001235302206 1040776338 /nfs/dbraw/zinc/77/63/38/1040776338.db2.gz KFDNUEMKYRXUSP-IRXDYDNUSA-N -1 3 391.284 3.753 20 10 GHCDHM COC(=O)c1cccc(CN(C)Cc2cc(F)cc(Br)c2[O-])c1 ZINC001235306649 1040782178 /nfs/dbraw/zinc/78/21/78/1040782178.db2.gz WONFXNNTYXDYKG-UHFFFAOYSA-N -1 3 382.229 3.712 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCN(Cc3cccc(F)c3)CC2)c1 ZINC001236663190 1041810748 /nfs/dbraw/zinc/81/07/48/1041810748.db2.gz CHOGELNVYXUPGB-UHFFFAOYSA-N -1 3 393.300 3.920 20 10 GHCDHM COc1ccnc(O[C@@H]2CCN(Cc3cc(C)cc(Br)c3[O-])C2)c1 ZINC001236668416 1041815167 /nfs/dbraw/zinc/81/51/67/1041815167.db2.gz AVGHEHPLCULOQA-OAHLLOKOSA-N -1 3 393.281 3.520 20 10 GHCDHM O=C1OC2(CCN(Cc3cc(Cl)c(Cl)cc3[O-])CC2)c2cnccc21 ZINC001236795169 1041899374 /nfs/dbraw/zinc/89/93/74/1041899374.db2.gz AHBQMRKVWQWQJA-UHFFFAOYSA-N -1 3 379.243 3.756 20 10 GHCDHM CCOc1ccc(N2CCN(Cc3c([O-])cc(OC)cc3Cl)CC2)cc1 ZINC001236805998 1041907155 /nfs/dbraw/zinc/90/71/55/1041907155.db2.gz KQWVSFNFTZBCPB-UHFFFAOYSA-N -1 3 376.884 3.775 20 10 GHCDHM COc1cc([O-])c(CN2CCN(c3ccc4c(c3)CCC4=O)CC2)c(Cl)c1 ZINC001236806241 1041907273 /nfs/dbraw/zinc/90/72/73/1041907273.db2.gz RGVNGXFCGVDSPK-UHFFFAOYSA-N -1 3 386.879 3.505 20 10 GHCDHM CC(C)=CCNC(=O)[C@@H]1CC12CCN(Cc1c([O-])ccc(F)c1Cl)CC2 ZINC001278022987 1041940422 /nfs/dbraw/zinc/94/04/22/1041940422.db2.gz GKNVKZTZAMRUBZ-HNNXBMFYSA-N -1 3 380.891 3.869 20 10 GHCDHM COc1cc([O-])c(CN2CCN(c3ccc(F)cc3)CC2)c(Br)c1 ZINC001237063753 1042016960 /nfs/dbraw/zinc/01/69/60/1042016960.db2.gz UTFWLJFICLHAFC-UHFFFAOYSA-N -1 3 395.272 3.625 20 10 GHCDHM COc1cc([O-])c(CN(C)Cc2cccc3c2OCO3)c(Br)c1 ZINC001237068518 1042019452 /nfs/dbraw/zinc/01/94/52/1042019452.db2.gz RJUGXAQMMABLCF-UHFFFAOYSA-N -1 3 380.238 3.524 20 10 GHCDHM [O-]c1ccc(F)c(Cl)c1CN1CCC2(CCCN2c2ncccn2)CC1 ZINC001237122977 1042050618 /nfs/dbraw/zinc/05/06/18/1042050618.db2.gz GCCJCZZQJNMLCK-UHFFFAOYSA-N -1 3 376.863 3.610 20 10 GHCDHM O=C1Nc2ncccc2C2(CCN(Cc3c([O-])ccc(F)c3Cl)CC2)O1 ZINC001237126428 1042054099 /nfs/dbraw/zinc/05/40/99/1042054099.db2.gz KXEVXSCAFNDTNV-UHFFFAOYSA-N -1 3 377.803 3.633 20 10 GHCDHM O=C(NC1CCN(Cc2c([O-])ccc(F)c2Cl)CC1)c1cccc(F)c1 ZINC001237128499 1042055161 /nfs/dbraw/zinc/05/51/61/1042055161.db2.gz PWWZDTDAPUQLQF-UHFFFAOYSA-N -1 3 380.822 3.718 20 10 GHCDHM C[C@@H]1CCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])CC[C@@H]1O ZINC001237784067 1042367717 /nfs/dbraw/zinc/36/77/17/1042367717.db2.gz PEUTYPBTNFUGOV-RNCFNFMXSA-N -1 3 382.220 3.766 20 10 GHCDHM COC(=O)[C@@]1(C)CCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])C1 ZINC001237785330 1042368499 /nfs/dbraw/zinc/36/84/99/1042368499.db2.gz FWNOPVUOLMEPKD-AWEZNQCLSA-N -1 3 396.203 3.559 20 10 GHCDHM [O-]c1cc(Cl)c(F)cc1CN1CCC(c2noc(C(F)(F)F)n2)CC1 ZINC001237936699 1042428011 /nfs/dbraw/zinc/42/80/11/1042428011.db2.gz LUBOPWARHHDUMB-UHFFFAOYSA-N -1 3 379.741 3.966 20 10 GHCDHM CC(C)c1ccc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c([O-])c1 ZINC001299099248 1046009711 /nfs/dbraw/zinc/00/97/11/1046009711.db2.gz GULQQPNWCIPQTE-UHFFFAOYSA-N -1 3 390.430 3.560 20 10 GHCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735492997 1049969725 /nfs/dbraw/zinc/96/97/25/1049969725.db2.gz MZXGJUPPAYFWSY-UHFFFAOYSA-N -1 3 399.230 3.782 20 10 GHCDHM COc1ccc([C@H](NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c2ccco2)cc1 ZINC001308821625 1050108191 /nfs/dbraw/zinc/10/81/91/1050108191.db2.gz SZBIAFDJEFVMHN-SFHVURJKSA-N -1 3 384.388 3.790 20 10 GHCDHM CN(C)c1ccc(/C=C/CN2CCN(Cc3ccc([O-])c(Cl)c3)CC2)cc1 ZINC001308907243 1050155911 /nfs/dbraw/zinc/15/59/11/1050155911.db2.gz UHHCZZRFKXROIS-ONEGZZNKSA-N -1 3 385.939 3.943 20 10 GHCDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC001445283646 1059493370 /nfs/dbraw/zinc/49/33/70/1059493370.db2.gz FUQBYMBBMQXFMT-UHFFFAOYSA-N -1 3 392.419 3.930 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)c1nc2ccccc2cc1Br ZINC001456029506 1062418429 /nfs/dbraw/zinc/41/84/29/1062418429.db2.gz OBWFISYLFFUIHN-UHFFFAOYSA-N -1 3 375.197 3.772 20 10 GHCDHM CN(Cc1ccccn1)c1nnc(-c2sc3ncccc3c2[O-])n1CC1CC1 ZINC001348261510 1062970319 /nfs/dbraw/zinc/97/03/19/1062970319.db2.gz VWNRRFYKBXQSCP-UHFFFAOYSA-N -1 3 392.488 3.702 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN(CCN2CCOCC2)c2ccccc2)c1[O-] ZINC001459610981 1064142377 /nfs/dbraw/zinc/14/23/77/1064142377.db2.gz UKGBRSIZOLLDBK-UHFFFAOYSA-N -1 3 388.895 3.587 20 10 GHCDHM O=C([N-]c1c2nonc2ccc1Cl)c1cn2c(Br)cnc2s1 ZINC001459788932 1064218024 /nfs/dbraw/zinc/21/80/24/1064218024.db2.gz PMOCWUYYUMLDCF-UHFFFAOYSA-N -1 3 398.629 3.600 20 10 GHCDHM Cc1cc(CC(=O)Nc2ccccc2[N-]S(C)(=O)=O)c(C)n1-c1ccccc1 ZINC001463973108 1064746152 /nfs/dbraw/zinc/74/61/52/1064746152.db2.gz YOXKEUMMGVAGSU-UHFFFAOYSA-N -1 3 397.500 3.647 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC001464954828 1065289615 /nfs/dbraw/zinc/28/96/15/1065289615.db2.gz BFBAZPPNFNFNCS-UHFFFAOYSA-N -1 3 381.457 3.636 20 10 GHCDHM Cc1cc([O-])c(CN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC001474356549 1074360507 /nfs/dbraw/zinc/36/05/07/1074360507.db2.gz KFJUKNCHWIYZJK-UHFFFAOYSA-N -1 3 393.314 3.894 20 10 GHCDHM COc1ccc(C2=NO[C@@H](CNCc3c([O-])ccc(Cl)c3F)C2)cc1F ZINC001474690828 1074517183 /nfs/dbraw/zinc/51/71/83/1074517183.db2.gz HAOLHFDMIYRLMP-LLVKDONJSA-N -1 3 382.794 3.615 20 10 GHCDHM Cc1ccc(C=C2SC(=S)N(c3ccccc3-c3nnn[n-]3)C2=O)cc1F ZINC000737329843 598583422 /nfs/dbraw/zinc/58/34/22/598583422.db2.gz OCJLHBUFGNAQKT-OQLLNIDSSA-N -1 3 397.460 3.720 20 10 GHCDHM Cc1ccc(C=C2SC(=S)N(c3ccccc3-c3nn[n-]n3)C2=O)cc1F ZINC000737329843 598583424 /nfs/dbraw/zinc/58/34/24/598583424.db2.gz OCJLHBUFGNAQKT-OQLLNIDSSA-N -1 3 397.460 3.720 20 10 GHCDHM Cc1cc(C(=O)NCc2cccc(C)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737392956 598610879 /nfs/dbraw/zinc/61/08/79/598610879.db2.gz BWINFHRGQLGXLO-UHFFFAOYSA-N -1 3 386.459 3.513 20 10 GHCDHM Cc1cc(C(=O)Nc2ccc(F)cc2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737271398 598610935 /nfs/dbraw/zinc/61/09/35/598610935.db2.gz UTVZBGUASBWLTM-UHFFFAOYSA-N -1 3 390.422 3.974 20 10 GHCDHM Cc1ccc(C)c(N2C(=O)C(=Cc3cc(-c4nnn[n-]4)cs3)SC2=S)c1 ZINC000822231635 606336113 /nfs/dbraw/zinc/33/61/13/606336113.db2.gz BHIAAYQJVSZCEO-VGOFMYFVSA-N -1 3 399.526 3.951 20 10 GHCDHM Cc1ccc(C)c(N2C(=O)C(=Cc3cc(-c4nn[n-]n4)cs3)SC2=S)c1 ZINC000822231635 606336114 /nfs/dbraw/zinc/33/61/14/606336114.db2.gz BHIAAYQJVSZCEO-VGOFMYFVSA-N -1 3 399.526 3.951 20 10 GHCDHM CCN(C(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367391 608346735 /nfs/dbraw/zinc/34/67/35/608346735.db2.gz ORRVBXFXWRCNSD-YWEYNIOJSA-N -1 3 389.246 3.635 20 10 GHCDHM CCN(C(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367391 608346737 /nfs/dbraw/zinc/34/67/37/608346737.db2.gz ORRVBXFXWRCNSD-YWEYNIOJSA-N -1 3 389.246 3.635 20 10 GHCDHM CCOC(=O)c1sc2[n-]c([C@H](C)Sc3nccs3)nc(=O)c2c1C ZINC000052914000 835808162 /nfs/dbraw/zinc/80/81/62/835808162.db2.gz PINWOMWEGUMATB-QMMMGPOBSA-N -1 3 381.504 3.780 20 10 GHCDHM CC(=O)c1csc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000134260226 839759412 /nfs/dbraw/zinc/75/94/12/839759412.db2.gz CJLDKWODMCPZBU-INIZCTEOSA-N -1 3 392.908 3.704 20 10 GHCDHM CO[C@@H](C)c1nc(CN2CCCN(Cc3cc(F)cc(F)c3[O-])CC2)cs1 ZINC000894088632 844486281 /nfs/dbraw/zinc/48/62/81/844486281.db2.gz MYTYFXRRRUIIST-ZDUSSCGKSA-N -1 3 397.491 3.542 20 10 GHCDHM COc1c([O-])c(CNc2cccc(-c3noc(C4CC4)n3)c2)ccc1[N+](=O)[O-] ZINC000278911091 843714388 /nfs/dbraw/zinc/71/43/88/843714388.db2.gz SNTOQIAFGFNLCK-UHFFFAOYSA-N -1 3 382.376 3.849 20 10 GHCDHM C[C@@H]([NH2+]C[C@@]([O-])(c1nccn1C)C(F)(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000273438762 847338442 /nfs/dbraw/zinc/33/84/42/847338442.db2.gz MLZZNVFTXXBZLJ-XLKFXECMSA-N -1 3 398.212 3.533 20 10 GHCDHM COC(=O)c1cc2ccc(NCc3cc(Cl)c4cccnc4c3[O-])[nH]c-2n1 ZINC001168527145 865446690 /nfs/dbraw/zinc/44/66/90/865446690.db2.gz DIOGZZKQBJUHHM-UHFFFAOYSA-N -1 3 382.807 3.869 20 10 GHCDHM COC(=O)c1cc2ccc(NCc3cc(Cl)c4cccnc4c3[O-])nc2[nH]1 ZINC001168527145 865446695 /nfs/dbraw/zinc/44/66/95/865446695.db2.gz DIOGZZKQBJUHHM-UHFFFAOYSA-N -1 3 382.807 3.869 20 10 GHCDHM COc1ccc(NCc2ccc(N3CCCCC3)cc2)cc1[N-]S(C)(=O)=O ZINC000158954062 871501341 /nfs/dbraw/zinc/50/13/41/871501341.db2.gz BZNWZAJBLGRNPD-UHFFFAOYSA-N -1 3 389.521 3.669 20 10 GHCDHM Cc1ccc(-c2noc(CN3CCN(Cc4cc(Cl)ccc4[O-])CC3)n2)cc1 ZINC000768224857 873175238 /nfs/dbraw/zinc/17/52/38/873175238.db2.gz ASGIWOYTPINGLY-UHFFFAOYSA-N -1 3 398.894 3.722 20 10 GHCDHM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000768247589 873187711 /nfs/dbraw/zinc/18/77/11/873187711.db2.gz BYPXCISNKMVIDM-CYBMUJFWSA-N -1 3 385.302 3.596 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC([C@](C)(O)C(F)(F)F)CC2)c1 ZINC000768532010 873364248 /nfs/dbraw/zinc/36/42/48/873364248.db2.gz JYOMICWTDVSGOI-HNNXBMFYSA-N -1 3 396.247 3.988 20 10 GHCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cc(F)ccc1F ZINC000768913203 873681591 /nfs/dbraw/zinc/68/15/91/873681591.db2.gz WNKMILIPCURTGS-HNNXBMFYSA-N -1 3 380.822 3.718 20 10 GHCDHM CCOc1cc(OC)cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001197325590 873742141 /nfs/dbraw/zinc/74/21/41/873742141.db2.gz SREBZZWSJKOIPH-UHFFFAOYSA-N -1 3 386.835 3.931 20 10 GHCDHM CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)Cc1c([O-])cccc1Cl ZINC000769455620 874081248 /nfs/dbraw/zinc/08/12/48/874081248.db2.gz GIVXUEJFPBPYJC-UHFFFAOYSA-N -1 3 386.801 3.813 20 10 GHCDHM CCO[C@H](C)c1nc(CN2CCN(Cc3c([O-])cccc3Cl)CC2)cs1 ZINC000769501890 874110381 /nfs/dbraw/zinc/11/03/81/874110381.db2.gz FJLSEZVNYHPNTK-CQSZACIVSA-N -1 3 395.956 3.917 20 10 GHCDHM COc1cccc2c1nc(NCc1cc(C)cc(Br)c1[O-])n2C ZINC000769767001 874266911 /nfs/dbraw/zinc/26/69/11/874266911.db2.gz XHOLKDHPHOISNI-UHFFFAOYSA-N -1 3 376.254 3.971 20 10 GHCDHM Cc1cccc(C)c1NC(=O)CNCc1cc(Br)cc(F)c1[O-] ZINC001199100516 874806278 /nfs/dbraw/zinc/80/62/78/874806278.db2.gz JGZHLKAYFUEMOY-UHFFFAOYSA-N -1 3 381.245 3.639 20 10 GHCDHM Cc1noc(C(C)C)c1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000771057817 875013951 /nfs/dbraw/zinc/01/39/51/875013951.db2.gz KXXVQVMJKBPJMM-INIZCTEOSA-N -1 3 391.899 3.860 20 10 GHCDHM COc1cccc(F)c1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000771060566 875015657 /nfs/dbraw/zinc/01/56/57/875015657.db2.gz WSJYULISNGGRNY-HNNXBMFYSA-N -1 3 392.858 3.588 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccc(F)c(F)c1F ZINC000771060586 875016283 /nfs/dbraw/zinc/01/62/83/875016283.db2.gz XHKCHIWXAUWREO-CYBMUJFWSA-N -1 3 398.812 3.857 20 10 GHCDHM CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000772177052 875734832 /nfs/dbraw/zinc/73/48/32/875734832.db2.gz KAHILCCTUMOPJD-MRXNPFEDSA-N -1 3 377.784 3.549 20 10 GHCDHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCN(c4ccc(OC)cc4)C3)nc2)n1 ZINC000853759253 879266176 /nfs/dbraw/zinc/26/61/76/879266176.db2.gz QGNBFAGYSOMQAG-QGZVFWFLSA-N -1 3 391.475 3.506 20 10 GHCDHM O=C(c1ccc(NCc2c([O-])cccc2Cl)cc1Cl)N1CCOCC1 ZINC000789877818 879311357 /nfs/dbraw/zinc/31/13/57/879311357.db2.gz IODAPAANQSUWHY-UHFFFAOYSA-N -1 3 381.259 3.784 20 10 GHCDHM C[C@H](N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858520046 883169214 /nfs/dbraw/zinc/16/92/14/883169214.db2.gz OZDCJZYNVWEANJ-BONVTDFDSA-N -1 3 393.802 3.549 20 10 GHCDHM CN1CC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])[C@@H]1c1ccccc1 ZINC000805235606 883679931 /nfs/dbraw/zinc/67/99/31/883679931.db2.gz DMUYOPSEYFJYQQ-IRXDYDNUSA-N -1 3 394.302 3.944 20 10 GHCDHM [O-]c1ccc2ccncc2c1CN1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000808238330 886174387 /nfs/dbraw/zinc/17/43/87/886174387.db2.gz CNFJIPCKYPLHFA-IEBWSBKVSA-N -1 3 380.448 3.902 20 10 GHCDHM COC(=O)c1ccc(CNCc2c([O-])cccc2Br)nc1C1CC1 ZINC000862368303 886329056 /nfs/dbraw/zinc/32/90/56/886329056.db2.gz GTRXHPYGPLMPEE-UHFFFAOYSA-N -1 3 391.265 3.504 20 10 GHCDHM CCN(Cc1cnnn1-c1ccccc1)Cc1cc(Br)ccc1[O-] ZINC000808731948 886748567 /nfs/dbraw/zinc/74/85/67/886748567.db2.gz DLPCPGBXYGPPDW-UHFFFAOYSA-N -1 3 387.281 3.758 20 10 GHCDHM Cc1oc2c(ccc([O-])c2CN(C)CC2(C)COC2)c(=O)c1-c1ccccc1 ZINC000863298411 887011725 /nfs/dbraw/zinc/01/17/25/887011725.db2.gz DAKIMIJSCXBXMC-UHFFFAOYSA-N -1 3 379.456 3.942 20 10 GHCDHM C[C@H](NCc1nn(C)cc1C(F)F)c1cc(Br)c(F)cc1[O-] ZINC000866564924 888939973 /nfs/dbraw/zinc/93/99/73/888939973.db2.gz FQORUQCSTFNEDH-ZETCQYMHSA-N -1 3 378.192 3.816 20 10 GHCDHM CC(C)OCc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)ccc1O ZINC000811703104 889876846 /nfs/dbraw/zinc/87/68/46/889876846.db2.gz JZBQVZYYNYQDJW-UHFFFAOYSA-N -1 3 375.490 3.997 20 10 GHCDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2COC)cc1C(C)C ZINC000872375758 891249255 /nfs/dbraw/zinc/24/92/55/891249255.db2.gz RINUXFRNUWYMTG-UHFFFAOYSA-N -1 3 379.478 3.862 20 10 GHCDHM COC(=O)c1ccc([N+](=O)[O-])cc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168523316 892462827 /nfs/dbraw/zinc/46/28/27/892462827.db2.gz NFQAKQDAHHLDBY-UHFFFAOYSA-N -1 3 387.779 3.901 20 10 GHCDHM CCCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@@H](C)C(=O)Nc1ccccc1 ZINC000774869283 913843133 /nfs/dbraw/zinc/84/31/33/913843133.db2.gz JWQLQCJLSVKLJQ-AWEZNQCLSA-N -1 3 387.436 3.548 20 10 GHCDHM COC(=O)c1cnc([C@@H](C)N[C@H](C)c2ccc(Br)cc2[O-])s1 ZINC000818357709 896143960 /nfs/dbraw/zinc/14/39/60/896143960.db2.gz IITKZBSOCBYECV-RKDXNWHRSA-N -1 3 385.283 3.810 20 10 GHCDHM COc1ccc(CN[C@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)cc1C ZINC000826202084 896215589 /nfs/dbraw/zinc/21/55/89/896215589.db2.gz NRFXPLLXSMJHCM-MRXNPFEDSA-N -1 3 377.370 3.577 20 10 GHCDHM COc1ccc(CN[C@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)cc1C ZINC000826202084 896215602 /nfs/dbraw/zinc/21/56/02/896215602.db2.gz NRFXPLLXSMJHCM-MRXNPFEDSA-N -1 3 377.370 3.577 20 10 GHCDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000826250539 896680925 /nfs/dbraw/zinc/68/09/25/896680925.db2.gz GEHJOJCEKAYAQE-UHFFFAOYSA-N -1 3 376.464 3.808 20 10 GHCDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000826250539 896680933 /nfs/dbraw/zinc/68/09/33/896680933.db2.gz GEHJOJCEKAYAQE-UHFFFAOYSA-N -1 3 376.464 3.808 20 10 GHCDHM Nc1cc(Cl)ncc1C(F)(F)NCc1cc(Br)ccc1[O-] ZINC001160019555 898293508 /nfs/dbraw/zinc/29/35/08/898293508.db2.gz MOSJOZHACWXQCO-UHFFFAOYSA-N -1 3 378.604 3.624 20 10 GHCDHM [O-]c1cc(Br)ccc1CN1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000824919910 899890132 /nfs/dbraw/zinc/89/01/32/899890132.db2.gz AQICZNNJPVVDGS-HOCLYGCPSA-N -1 3 398.322 3.541 20 10 GHCDHM CCOCc1nc([C@@H](C)N[C@@H](CC)c2cc(Br)ccc2[O-])no1 ZINC000290155759 914550601 /nfs/dbraw/zinc/55/06/01/914550601.db2.gz LOUXWODSFFQYAA-MFKMUULPSA-N -1 3 384.274 3.876 20 10 GHCDHM CCc1nnc(C2CCN(Cc3cc(Br)c(F)cc3[O-])CC2)o1 ZINC001144306534 901685595 /nfs/dbraw/zinc/68/55/95/901685595.db2.gz GBZJTBSJKCMUEX-UHFFFAOYSA-N -1 3 384.249 3.619 20 10 GHCDHM O=C(c1ccccc1)[C@H]1CCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144307912 901698253 /nfs/dbraw/zinc/69/82/53/901698253.db2.gz LNOKGZMOPFBNQZ-ZDUSSCGKSA-N -1 3 378.241 3.999 20 10 GHCDHM COc1c([O-])c(CNCc2ccc(Br)cc2F)ccc1[N+](=O)[O-] ZINC000775027441 914614544 /nfs/dbraw/zinc/61/45/44/914614544.db2.gz FMBWVQTULDZENM-UHFFFAOYSA-N -1 3 385.189 3.500 20 10 GHCDHM O=C(c1ccccc1C(F)(F)F)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000778994190 902607755 /nfs/dbraw/zinc/60/77/55/902607755.db2.gz AXYXQQDNRAPDJM-UHFFFAOYSA-N -1 3 382.357 3.508 20 10 GHCDHM CC(C)(C)OC(=O)n1ccc2ccc(NC(=O)c3cc(O)c([O-])c(O)c3)cc21 ZINC001148586722 904127627 /nfs/dbraw/zinc/12/76/27/904127627.db2.gz VKOVFGGKPKGKOW-UHFFFAOYSA-N -1 3 384.388 3.794 20 10 GHCDHM CCOc1ccc(CN2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)cc1 ZINC001180364537 910125554 /nfs/dbraw/zinc/12/55/54/910125554.db2.gz YDEYTPLGRXBDMB-UHFFFAOYSA-N -1 3 378.875 3.901 20 10 GHCDHM CCOC(=O)[C@@H](Cc1ccccc1)N(C)Cc1c([O-])cccc1Br ZINC001181087161 910526876 /nfs/dbraw/zinc/52/68/76/910526876.db2.gz LRXKQPCAYKZBGJ-QGZVFWFLSA-N -1 3 392.293 3.761 20 10 GHCDHM Cc1noc(C2CC2)c1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000752596020 928913243 /nfs/dbraw/zinc/91/32/43/928913243.db2.gz LLCJWMMIEZNJJO-MRXNPFEDSA-N -1 3 389.883 3.614 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCN([C@H](C)c3cccnc3)CC2)c1 ZINC000781907041 931022839 /nfs/dbraw/zinc/02/28/39/931022839.db2.gz CJLWKRNQIJCMIQ-OAHLLOKOSA-N -1 3 390.325 3.737 20 10 GHCDHM [O-]c1cccc(Br)c1CN1CCc2c(ncn2-c2ccccc2)C1 ZINC000929063798 933223016 /nfs/dbraw/zinc/22/30/16/933223016.db2.gz FJQBUXLGHKSIIO-UHFFFAOYSA-N -1 3 384.277 3.899 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)c1[O-] ZINC001116211673 933406575 /nfs/dbraw/zinc/40/65/75/933406575.db2.gz PULUXWSMILCMPU-FQEVSTJZSA-N -1 3 382.435 3.682 20 10 GHCDHM [O-]c1cccc(F)c1CN1CCc2c(COCc3ccccn3)cncc2C1 ZINC001137834910 935814013 /nfs/dbraw/zinc/81/40/13/935814013.db2.gz YFNHLVNUQGFRPQ-UHFFFAOYSA-N -1 3 379.435 3.596 20 10 GHCDHM O=C([O-])[C@H]1CCCCN1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000840997397 979299200 /nfs/dbraw/zinc/29/92/00/979299200.db2.gz CLUTVLCOGGGIIM-QGZVFWFLSA-N -1 3 381.314 3.879 20 10 GHCDHM CC[C@@](C[NH2+]Cc1cc(Br)cc(C)c1[O-])(C(=O)[O-])c1ccccc1 ZINC001595167500 979721913 /nfs/dbraw/zinc/72/19/13/979721913.db2.gz SDELOBQDZPJRBJ-IBGZPJMESA-N -1 3 392.293 3.985 20 10 GHCDHM C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1ccccc1OCC(=O)[O-] ZINC001593297873 994707930 /nfs/dbraw/zinc/70/79/30/994707930.db2.gz BJCHQLBICRKQPJ-MRXNPFEDSA-N -1 3 386.517 3.554 20 10 GHCDHM COC(=O)[C@@H](Oc1c(O)c([O-])ccc1C(=O)c1ccccc1)c1ccc(F)cc1 ZINC001227938442 1032705359 /nfs/dbraw/zinc/70/53/59/1032705359.db2.gz VAHIXDAEAHGHMD-FQEVSTJZSA-N -1 3 396.370 3.761 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)c1csc(COc2ccc(F)cc2)n1 ZINC001156163947 1032908652 /nfs/dbraw/zinc/90/86/52/1032908652.db2.gz GTNZNSKAZRNOTC-UHFFFAOYSA-N -1 3 376.384 3.636 20 10 GHCDHM CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCc2c([O-])cccc2F)c2ccccc21 ZINC001156177430 1032914794 /nfs/dbraw/zinc/91/47/94/1032914794.db2.gz FQWGAOXESXXULM-OAHLLOKOSA-N -1 3 386.423 3.686 20 10 GHCDHM [O-]c1cnccc1CN1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001140279765 1021307261 /nfs/dbraw/zinc/30/72/61/1021307261.db2.gz URFYEQIEYKMQOD-UHFFFAOYSA-N -1 3 375.472 3.688 20 10 GHCDHM O=C(Nc1ccccc1)C1=NO[C@@]2(C1)CCCN(Cc1ccc(Cl)cc1[O-])C2 ZINC001140465790 1021759930 /nfs/dbraw/zinc/75/99/30/1021759930.db2.gz VIGPVIXETUCCFQ-OAQYLSRUSA-N -1 3 399.878 3.795 20 10 GHCDHM COc1ccc(N2CCN(Cc3cccc([O-])c3Br)CC2)c(C)c1 ZINC001140555280 1021958635 /nfs/dbraw/zinc/95/86/35/1021958635.db2.gz BBFMZDGNTAEEGZ-UHFFFAOYSA-N -1 3 391.309 3.794 20 10 GHCDHM CCOC(=O)[C@H]1CCN(Cc2c([O-])cc(F)cc2F)C[C@H]1c1ccccc1 ZINC001140584218 1022007355 /nfs/dbraw/zinc/00/73/55/1022007355.db2.gz JIFGHTYWXBMWTP-IRXDYDNUSA-N -1 3 375.415 3.839 20 10 GHCDHM [O-]c1c(O)cc2c(c1Cl)CCN(Cc1cocn1)C[C@H]2c1ccc(O)cc1 ZINC001141130482 1023554424 /nfs/dbraw/zinc/55/44/24/1023554424.db2.gz PSUQFAWIDSWPMQ-KRWDZBQOSA-N -1 3 386.835 3.635 20 10 GHCDHM COc1ccccc1[C@H](CO)N[C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756713098 1023784833 /nfs/dbraw/zinc/78/48/33/1023784833.db2.gz TYSLKGSDODDXLD-BMIGLBTASA-N -1 3 384.245 3.687 20 10 GHCDHM Cn1ccc(C2CCN(Cc3cc(Cl)cc(Br)c3[O-])CC2)n1 ZINC001141374670 1024767147 /nfs/dbraw/zinc/76/71/47/1024767147.db2.gz MEGXTXQZQNDBSE-UHFFFAOYSA-N -1 3 384.705 3.921 20 10 GHCDHM CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3c([O-])cccc3Br)C[C@@H]21 ZINC001140100569 1026879119 /nfs/dbraw/zinc/87/91/19/1026879119.db2.gz UTWSXTQZSVYCSD-WFASDCNBSA-N -1 3 397.313 3.596 20 10 GHCDHM O=C1OC2(CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)c2cccnc21 ZINC001203582009 1027450644 /nfs/dbraw/zinc/45/06/44/1027450644.db2.gz MHZGHQKGFKGTOX-UHFFFAOYSA-N -1 3 379.243 3.756 20 10 GHCDHM [O-]c1ccc(Cl)cc1CN1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@@H]21 ZINC001203658802 1027514690 /nfs/dbraw/zinc/51/46/90/1027514690.db2.gz PBHBDZPRVDHKBV-LKUPVBHCSA-N -1 3 388.895 3.637 20 10 GHCDHM [O-]c1c(O)cccc1-c1nc(-c2ccc(I)cc2F)no1 ZINC001215145729 1029059699 /nfs/dbraw/zinc/05/96/99/1029059699.db2.gz FXVWYJVDJJIJHV-UHFFFAOYSA-N -1 3 398.131 3.559 20 10 GHCDHM [O-]c1c(O)cc(-c2nc(-c3ccc(Br)c(Cl)c3)no2)cc1O ZINC001215327538 1029155063 /nfs/dbraw/zinc/15/50/63/1029155063.db2.gz GRYUYZZXOVSNDC-UHFFFAOYSA-N -1 3 383.585 3.936 20 10 GHCDHM CC(C)=CCNC(=O)[C@@H]1CC12CCN(Cc1cc(F)c(Cl)cc1[O-])CC2 ZINC001276967888 1030980773 /nfs/dbraw/zinc/98/07/73/1030980773.db2.gz UPPAYMKSPORUTD-HNNXBMFYSA-N -1 3 380.891 3.869 20 10 GHCDHM Cc1cc(NCc2cc(Cl)c3cccnc3c2[O-])nc(-c2ccncc2)n1 ZINC001157726417 1033741378 /nfs/dbraw/zinc/74/13/78/1033741378.db2.gz PLSLBQKTRWRMLZ-UHFFFAOYSA-N -1 3 377.835 3.788 20 10 GHCDHM Cc1cc([O-])c(CN2Cc3nccn3C[C@H](COCC3CC3)C2)cc1Cl ZINC001231868202 1034955069 /nfs/dbraw/zinc/95/50/69/1034955069.db2.gz SAMCAUUQFLDVML-MRXNPFEDSA-N -1 3 375.900 3.609 20 10 GHCDHM Cc1cc([O-])c(CN2CCCn3cnc(COCC4CC4)c3C2)cc1Cl ZINC001231868571 1034955228 /nfs/dbraw/zinc/95/52/28/1034955228.db2.gz DFDCPPSUGARHMR-UHFFFAOYSA-N -1 3 375.900 3.883 20 10 GHCDHM Cc1cc([O-])c(CN2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)cc1Cl ZINC001231868914 1034955254 /nfs/dbraw/zinc/95/52/54/1034955254.db2.gz ZBKXTZHHLXEBED-CEWLAPEOSA-N -1 3 395.927 3.529 20 10 GHCDHM COc1cc([O-])c(CN2CCC[C@H]3[C@@H]2CN3C(=O)OC(C)(C)C)cc1Cl ZINC001232269044 1037992228 /nfs/dbraw/zinc/99/22/28/1037992228.db2.gz ZRADNESHSGFOGJ-GJZGRUSLSA-N -1 3 382.888 3.638 20 10 GHCDHM COc1cc([O-])c(CN2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)cc1Cl ZINC001232270890 1037995864 /nfs/dbraw/zinc/99/58/64/1037995864.db2.gz MAAAVMJEBBQRGX-MRXNPFEDSA-N -1 3 392.858 3.588 20 10 GHCDHM [O-]c1cc(I)ccc1CN1CCCC[C@@H]1C(F)(F)F ZINC001232979015 1038747897 /nfs/dbraw/zinc/74/78/97/1038747897.db2.gz QMYHPJXMTXNDTN-GFCCVEGCSA-N -1 3 385.167 3.914 20 10 GHCDHM Cc1cccc(NC(=O)NC2CCN(Cc3ccc(F)c(F)c3[O-])CC2)c1 ZINC001233079621 1038844949 /nfs/dbraw/zinc/84/49/49/1038844949.db2.gz HNGAGIDTIAWOPF-UHFFFAOYSA-N -1 3 375.419 3.765 20 10 GHCDHM COc1cc([O-])c(CN2CCO[C@@H](c3ccccc3)C2)cc1Br ZINC001233140151 1038919592 /nfs/dbraw/zinc/91/95/92/1038919592.db2.gz XPFXDKLJHHMTLW-GOSISDBHSA-N -1 3 378.266 3.737 20 10 GHCDHM [O-]c1ccc2cc(Br)ccc2c1CN(CCO)CC(F)(F)F ZINC001233195005 1038961421 /nfs/dbraw/zinc/96/14/21/1038961421.db2.gz AVSHVKSYEOEAER-UHFFFAOYSA-N -1 3 378.188 3.665 20 10 GHCDHM CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233332498 1039130863 /nfs/dbraw/zinc/13/08/63/1039130863.db2.gz MWUOBOXWZHAABE-HXUWFJFHSA-N -1 3 382.451 3.893 20 10 GHCDHM CCOc1cccc(N2CCN(Cc3cccc(C(F)(F)F)c3[O-])CC2)n1 ZINC001233418973 1039279153 /nfs/dbraw/zinc/27/91/53/1039279153.db2.gz DPDBESANDAYVCM-UHFFFAOYSA-N -1 3 381.398 3.527 20 10 GHCDHM COC(=O)c1ccccc1N1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233418518 1039279647 /nfs/dbraw/zinc/27/96/47/1039279647.db2.gz KIOFRQYYHYQRMV-UHFFFAOYSA-N -1 3 394.393 3.520 20 10 GHCDHM CC(C)(C)OC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2[O-])C[C@H](F)C1 ZINC001233452248 1039332981 /nfs/dbraw/zinc/33/29/81/1039332981.db2.gz OYOITBNWSNQTTC-AWEZNQCLSA-N -1 3 392.393 3.802 20 10 GHCDHM CCCOc1ccc(-c2nnc(-c3ccc([O-])c(CN4CCOCC4)c3)o2)cc1 ZINC001256308544 1041694454 /nfs/dbraw/zinc/69/44/54/1041694454.db2.gz VEAHNLXNQJGBRV-UHFFFAOYSA-N -1 3 395.459 3.730 20 10 GHCDHM O=C1C[C@@]2(CN1CC(F)F)CCCCN2Cc1c([O-])ccc(Cl)c1Cl ZINC001277994488 1041809013 /nfs/dbraw/zinc/80/90/13/1041809013.db2.gz BQRCBNCFEDCXQJ-QGZVFWFLSA-N -1 3 393.261 3.921 20 10 GHCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001236794350 1041899598 /nfs/dbraw/zinc/89/95/98/1041899598.db2.gz WFHPHKAGMFCKLH-BEFAXECRSA-N -1 3 395.286 3.906 20 10 GHCDHM CC(C)(C)NC(=O)CO[C@@H]1CCCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236795275 1041899856 /nfs/dbraw/zinc/89/98/56/1041899856.db2.gz BNECPHMSDIGCDC-CYBMUJFWSA-N -1 3 389.323 3.595 20 10 GHCDHM COc1cc([O-])c(CN2CCN(c3nc4ccccc4s3)CC2)c(Cl)c1 ZINC001236798395 1041901504 /nfs/dbraw/zinc/90/15/04/1041901504.db2.gz GCVVFZCOEJPGFH-UHFFFAOYSA-N -1 3 389.908 3.986 20 10 GHCDHM COc1cc([O-])c(CN2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)c(Cl)c1 ZINC001236800393 1041903139 /nfs/dbraw/zinc/90/31/39/1041903139.db2.gz XVIZWHMYAJBMDA-MRXNPFEDSA-N -1 3 382.888 3.543 20 10 GHCDHM COc1cc([O-])c(CN2CC[C@@H](C)N(C(=O)OC(C)(C)C)CC2)c(Cl)c1 ZINC001236800376 1041903273 /nfs/dbraw/zinc/90/32/73/1041903273.db2.gz XVANJYYEQBQWPN-CYBMUJFWSA-N -1 3 384.904 3.886 20 10 GHCDHM COc1cc([O-])c(CN2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)c(Cl)c1 ZINC001236804794 1041906653 /nfs/dbraw/zinc/90/66/53/1041906653.db2.gz ZSDLQDDBDPOUMS-UHFFFAOYSA-N -1 3 382.888 3.640 20 10 GHCDHM O=C1N(CCC(F)(F)F)CC[C@@]12CCCN2Cc1c([O-])ccc(F)c1Cl ZINC001278023395 1041942246 /nfs/dbraw/zinc/94/22/46/1041942246.db2.gz VGMCRRMIHXWIEJ-INIZCTEOSA-N -1 3 394.796 3.704 20 10 GHCDHM COc1cc([O-])c(CN2CCC(=O)[C@H](C)C23CCCC3)c(Br)c1 ZINC001237069091 1042019735 /nfs/dbraw/zinc/01/97/35/1042019735.db2.gz YNPVSMRFLZOUIP-LBPRGKRZSA-N -1 3 382.298 3.887 20 10 GHCDHM COc1cc([O-])c(CN(C)CCC(=O)c2cccs2)c(Br)c1 ZINC001237071648 1042021187 /nfs/dbraw/zinc/02/11/87/1042021187.db2.gz VQWVGBKRJCLDDH-UHFFFAOYSA-N -1 3 384.295 3.930 20 10 GHCDHM [O-]c1ccc(Cl)c(Cl)c1CN1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001237079036 1042024669 /nfs/dbraw/zinc/02/46/69/1042024669.db2.gz GKLHMCDWFARADV-IEZWGBDMSA-N -1 3 395.286 3.905 20 10 GHCDHM [O-]c1ccc(F)c(Cl)c1CN1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001237125011 1042052901 /nfs/dbraw/zinc/05/29/01/1042052901.db2.gz QJUSUCFGHIYIJW-BUXKBTBVSA-N -1 3 396.821 3.531 20 10 GHCDHM Cc1cc([O-])c(CN2CCC(C(=O)C(F)(F)F)CC2)cc1Br ZINC001237677661 1042318348 /nfs/dbraw/zinc/31/83/48/1042318348.db2.gz ALHLGSZXYKMVGW-UHFFFAOYSA-N -1 3 380.204 3.807 20 10 GHCDHM CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1CN(Cc1cc(F)cc(Cl)c1[O-])C2 ZINC001237805323 1042379705 /nfs/dbraw/zinc/37/97/05/1042379705.db2.gz LLFPCSUCRHSNOM-DRXBFXEBSA-N -1 3 384.879 3.920 20 10 GHCDHM CO[C@@H](CN1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1)c1ccccc1 ZINC001237939440 1042429591 /nfs/dbraw/zinc/42/95/91/1042429591.db2.gz DFSOYTJUYOLELJ-FQEVSTJZSA-N -1 3 378.875 3.690 20 10 GHCDHM CN(C(=O)c1ccccc1)C1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237941244 1042430952 /nfs/dbraw/zinc/43/09/52/1042430952.db2.gz TXGNCQAAMOXLJU-UHFFFAOYSA-N -1 3 376.859 3.921 20 10 GHCDHM CC(C)Oc1ccc(-c2nnc(-c3ccc([O-])c(CN4CCOCC4)c3)o2)cc1 ZINC001256932128 1043758069 /nfs/dbraw/zinc/75/80/69/1043758069.db2.gz ZEKAQFLBBNNOPS-UHFFFAOYSA-N -1 3 395.459 3.729 20 10 GHCDHM O=S(=O)(NCc1cc(Cl)c2cccnc2c1[O-])c1cccc2cnccc21 ZINC001259159283 1044983907 /nfs/dbraw/zinc/98/39/07/1044983907.db2.gz IOSOUPCVVOEWCX-UHFFFAOYSA-N -1 3 399.859 3.621 20 10 GHCDHM Cc1cccc(S(=O)(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1C ZINC001261001649 1045816498 /nfs/dbraw/zinc/81/64/98/1045816498.db2.gz QLULDHZHWLNYKF-UHFFFAOYSA-N -1 3 376.865 3.689 20 10 GHCDHM Cc1ccc(C)n1-c1ccc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1 ZINC001301754888 1046684285 /nfs/dbraw/zinc/68/42/85/1046684285.db2.gz QPXGNPBMDRDPAU-UHFFFAOYSA-N -1 3 376.460 3.787 20 10 GHCDHM Cc1noc(NC(=O)[C@@]23C[C@@H]2CN(Cc2cc(Cl)cc(Cl)c2[O-])C3)c1C ZINC001279971590 1048021415 /nfs/dbraw/zinc/02/14/15/1048021415.db2.gz DPUBQATXNDCHMI-KZULUSFZSA-N -1 3 396.274 3.764 20 10 GHCDHM Cc1c(C(=O)[N-]c2c3nonc3ccc2Cl)nnn1-c1ccccc1Cl ZINC001342950004 1053453178 /nfs/dbraw/zinc/45/31/78/1053453178.db2.gz FIUXLJRAOOVRKL-UHFFFAOYSA-N -1 3 389.202 3.671 20 10 GHCDHM Cc1nc([C@H]2CCCN2c2nnc(-c3sc4ncccc4c3[O-])n2C)cs1 ZINC001355801422 1057280301 /nfs/dbraw/zinc/28/03/01/1057280301.db2.gz ONYKHYFKJQDHNH-CYBMUJFWSA-N -1 3 398.517 3.904 20 10 GHCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC(C(F)(F)F)CC1 ZINC001338750578 1058762565 /nfs/dbraw/zinc/76/25/65/1058762565.db2.gz WZOOBKWKRMYFHL-UHFFFAOYSA-N -1 3 383.399 3.576 20 10 GHCDHM CCOCCOCc1cccc(NC(=O)NCc2c([O-])cccc2F)c1C ZINC001351398034 1064428056 /nfs/dbraw/zinc/42/80/56/1064428056.db2.gz CRRBULOEEOCZFA-UHFFFAOYSA-N -1 3 376.428 3.715 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)Nc1cccc2c1CN(c1ccccn1)C2 ZINC001465937686 1065930461 /nfs/dbraw/zinc/93/04/61/1065930461.db2.gz XRPIAHYIRZDAAH-UHFFFAOYSA-N -1 3 378.407 3.768 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCCC(F)(F)CC1 ZINC001353726892 1066199618 /nfs/dbraw/zinc/19/96/18/1066199618.db2.gz GRUHLCDGCXTMIN-UHFFFAOYSA-N -1 3 379.436 3.906 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC(OCC2CC2)CC1 ZINC001353726457 1066199832 /nfs/dbraw/zinc/19/98/32/1066199832.db2.gz BGGFKIKWIWTAHS-UHFFFAOYSA-N -1 3 399.520 3.676 20 10 GHCDHM COc1ccc([C@@H](C)NC(=O)NCc2c([O-])cccc2F)c(Br)c1 ZINC001478300258 1078803520 /nfs/dbraw/zinc/80/35/20/1078803520.db2.gz REKWLJBOMBBKSN-SNVBAGLBSA-N -1 3 397.244 3.863 20 10 GHCDHM COc1ccccc1[C@H](CNC(=O)NCc1c([O-])cccc1F)OC(C)C ZINC001478484819 1078887285 /nfs/dbraw/zinc/88/72/85/1078887285.db2.gz YQJYVWSNHPIYJF-IBGZPJMESA-N -1 3 376.428 3.505 20 10 GHCDHM Cc1cc([O-])c(CN2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1Cl ZINC001474337858 1074350781 /nfs/dbraw/zinc/35/07/81/1074350781.db2.gz CBFPHVXMLYJLMZ-UHFFFAOYSA-N -1 3 387.911 3.724 20 10 GHCDHM CCc1ccc(C=C2SC(=S)N(c3ccccc3-c3nnn[n-]3)C2=O)s1 ZINC000736682116 598541349 /nfs/dbraw/zinc/54/13/49/598541349.db2.gz GLMSWWNWQBOAGQ-NTEUORMPSA-N -1 3 399.526 3.896 20 10 GHCDHM CCc1ccc(C=C2SC(=S)N(c3ccccc3-c3nn[n-]n3)C2=O)s1 ZINC000736682116 598541350 /nfs/dbraw/zinc/54/13/50/598541350.db2.gz GLMSWWNWQBOAGQ-NTEUORMPSA-N -1 3 399.526 3.896 20 10 GHCDHM Cc1cc(C(=O)Nc2ccc(O)c(C)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826270551 607362639 /nfs/dbraw/zinc/36/26/39/607362639.db2.gz FLOPQXKVNFQQFC-UHFFFAOYSA-N -1 3 388.431 3.541 20 10 GHCDHM Cc1cc(-c2nc(C3CCCC3)no2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737221269 598610131 /nfs/dbraw/zinc/61/01/31/598610131.db2.gz HNTGSIWFCRNENL-UHFFFAOYSA-N -1 3 375.436 3.982 20 10 GHCDHM Cc1cc(C(=O)N2CC[C@@H]2c2ccccc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234910 598610519 /nfs/dbraw/zinc/61/05/19/598610519.db2.gz PRBFIURECYGJJJ-OAQYLSRUSA-N -1 3 398.470 3.861 20 10 GHCDHM Cc1cc(C(=O)N2[C@H](C)CCC[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737232892 599655888 /nfs/dbraw/zinc/65/58/88/599655888.db2.gz AAFXJGJAISOAJJ-OKILXGFUSA-N -1 3 378.480 3.677 20 10 GHCDHM Cc1cncc(C=CC(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)c1 ZINC000822400039 607394613 /nfs/dbraw/zinc/39/46/13/607394613.db2.gz UKSXHRZFEKWLJD-QXMHVHEDSA-N -1 3 396.454 3.817 20 10 GHCDHM Cc1cncc(C=CC(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)c1 ZINC000822400039 607394614 /nfs/dbraw/zinc/39/46/14/607394614.db2.gz UKSXHRZFEKWLJD-QXMHVHEDSA-N -1 3 396.454 3.817 20 10 GHCDHM Cc1cccc(C)c1N1C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)SC1=S ZINC000822293604 606336110 /nfs/dbraw/zinc/33/61/10/606336110.db2.gz DLCJCHOIIRARKG-QPEQYQDCSA-N -1 3 399.526 3.951 20 10 GHCDHM Cc1cccc(C)c1N1C(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)SC1=S ZINC000822293604 606336111 /nfs/dbraw/zinc/33/61/11/606336111.db2.gz DLCJCHOIIRARKG-QPEQYQDCSA-N -1 3 399.526 3.951 20 10 GHCDHM CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1Cl ZINC000179426086 835713977 /nfs/dbraw/zinc/71/39/77/835713977.db2.gz PEQSAVBDBCPNQG-UHFFFAOYSA-N -1 3 376.840 3.794 20 10 GHCDHM CS(=O)(=O)CCOc1ccc(Cl)cc1NCc1c([O-])cccc1Cl ZINC000132705807 861455135 /nfs/dbraw/zinc/45/51/35/861455135.db2.gz HTTYGSCQVJJWDH-UHFFFAOYSA-N -1 3 390.288 3.735 20 10 GHCDHM C[C@@H]([NH2+]C[C@]([O-])(c1nccn1C)C(F)(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000278158592 849428541 /nfs/dbraw/zinc/42/85/41/849428541.db2.gz AUMIWKFENXKNJZ-CLAHSXSESA-N -1 3 398.212 3.533 20 10 GHCDHM C[C@@H](N[C@H](CO)c1ccccc1OC(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000281177407 862871858 /nfs/dbraw/zinc/87/18/58/862871858.db2.gz QIKAGCRCKROSRL-NOZJJQNGSA-N -1 3 377.309 3.953 20 10 GHCDHM Cc1noc(C2([N-]S(=O)(=O)c3ccc(/N=N/c4ccccc4)cc3)CC2)n1 ZINC001197196844 873645596 /nfs/dbraw/zinc/64/55/96/873645596.db2.gz ITYWJNVXPSMMMU-QZQOTICOSA-N -1 3 383.433 3.761 20 10 GHCDHM COc1cc(C)sc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000768913933 873681797 /nfs/dbraw/zinc/68/17/97/873681797.db2.gz BKAOIMAIOPGGQU-HNNXBMFYSA-N -1 3 394.924 3.819 20 10 GHCDHM O=C(c1c(F)cccc1Cl)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000769151747 873850252 /nfs/dbraw/zinc/85/02/52/873850252.db2.gz HYBBGTFYAWZBSQ-UHFFFAOYSA-N -1 3 383.250 3.796 20 10 GHCDHM C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000770378093 874619232 /nfs/dbraw/zinc/61/92/32/874619232.db2.gz GRVMBTIQEJBFIZ-FZMZJTMJSA-N -1 3 399.875 3.831 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccncc1N1CCCCC1 ZINC001199363274 874945057 /nfs/dbraw/zinc/94/50/57/874945057.db2.gz CUTWRNQXWFGCPR-UHFFFAOYSA-N -1 3 396.878 3.909 20 10 GHCDHM COc1cc(S(C)(=O)=O)ccc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168525514 877320238 /nfs/dbraw/zinc/32/02/38/877320238.db2.gz FHPIXONHTQGKPN-UHFFFAOYSA-N -1 3 392.864 3.618 20 10 GHCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2CCC2CCCCC2)c1 ZINC000179857270 878088801 /nfs/dbraw/zinc/08/88/01/878088801.db2.gz JGENZULIBMVVGQ-KRWDZBQOSA-N -1 3 394.537 3.729 20 10 GHCDHM CC(=O)CC(C)(C)CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000788517595 878123154 /nfs/dbraw/zinc/12/31/54/878123154.db2.gz XVRJCGFGNYUZRF-QGZVFWFLSA-N -1 3 380.916 3.522 20 10 GHCDHM O=S(=O)([N-]c1ccc(O)cc1F)c1cccc(Br)c1Cl ZINC000790067506 879441452 /nfs/dbraw/zinc/44/14/52/879441452.db2.gz FROVXWXFBIKJNJ-UHFFFAOYSA-N -1 3 380.622 3.748 20 10 GHCDHM CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCCc2cc(=O)[nH][n-]2)cc1 ZINC000854486036 879845897 /nfs/dbraw/zinc/84/58/97/879845897.db2.gz KFVWKTFLBIJAGK-UHFFFAOYSA-N -1 3 392.463 3.554 20 10 GHCDHM Cc1cccc([O-])c1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000859098824 883587815 /nfs/dbraw/zinc/58/78/15/883587815.db2.gz QXQCKNGQDACZNO-UHFFFAOYSA-N -1 3 376.403 3.701 20 10 GHCDHM CC(C)(C)OC(=O)N1CC(c2cc(CNCc3cccc(Cl)c3[O-])on2)C1 ZINC000898218903 884636155 /nfs/dbraw/zinc/63/61/55/884636155.db2.gz SCKOILHAWXJYTB-UHFFFAOYSA-N -1 3 393.871 3.658 20 10 GHCDHM COC(=O)c1ccc(CNCc2cccc(Br)c2[O-])nc1C1CC1 ZINC000809758890 887803498 /nfs/dbraw/zinc/80/34/98/887803498.db2.gz WQPFZEYTDOIILK-UHFFFAOYSA-N -1 3 391.265 3.504 20 10 GHCDHM Cc1nc(-c2ccc(NC(=O)NCc3ccc(N(C)C)cc3)cc2)cc(=O)[n-]1 ZINC000915927002 888562947 /nfs/dbraw/zinc/56/29/47/888562947.db2.gz HDOIEDHNLSFISL-UHFFFAOYSA-N -1 3 377.448 3.545 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2nc(C(F)(F)F)n3c2CCCC3)c1 ZINC000866559018 888933023 /nfs/dbraw/zinc/93/30/23/888933023.db2.gz ASIWLBNJAZMTTI-NSHDSACASA-N -1 3 397.397 3.581 20 10 GHCDHM CCN(CC)C(=O)N1CCN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1 ZINC000917432467 891992532 /nfs/dbraw/zinc/99/25/32/891992532.db2.gz OISAOYQTGCWEGR-UHFFFAOYSA-N -1 3 385.508 3.597 20 10 GHCDHM COC(=O)c1cc(NCc2cc(Cl)c3cccnc3c2[O-])cc([N+](=O)[O-])c1 ZINC001168523228 892102267 /nfs/dbraw/zinc/10/22/67/892102267.db2.gz LZRNHTOKZUNQPN-UHFFFAOYSA-N -1 3 387.779 3.901 20 10 GHCDHM COc1c([O-])c(CN2CCC[C@@H]2c2nc3ccccc3n2C)ccc1[N+](=O)[O-] ZINC000774845580 913740883 /nfs/dbraw/zinc/74/08/83/913740883.db2.gz IXXAVGHIPXRUJW-QGZVFWFLSA-N -1 3 382.420 3.533 20 10 GHCDHM O=C(Cc1cccc(F)c1)N1CCCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816497601 894877312 /nfs/dbraw/zinc/87/73/12/894877312.db2.gz JVFVEQMSEQEKNS-UHFFFAOYSA-N -1 3 394.849 3.601 20 10 GHCDHM CN1CCO[C@H]([C@H](NCc2cc(Cl)c(F)cc2[O-])c2ccc(Cl)cc2)C1 ZINC000816559891 894944448 /nfs/dbraw/zinc/94/44/48/894944448.db2.gz YEUACOHJKPYSML-RBUKOAKNSA-N -1 3 399.293 4.000 20 10 GHCDHM C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1cccc(O)c1[O-] ZINC000816817756 895108614 /nfs/dbraw/zinc/10/86/14/895108614.db2.gz JQMDLLJVLPJIKC-ZBEGNZNMSA-N -1 3 381.350 3.719 20 10 GHCDHM COc1ccc(C[C@@H](NC(=O)c2cccc(O)c2[O-])c2ccc(OC)cc2)cc1 ZINC001135822590 895348486 /nfs/dbraw/zinc/34/84/86/895348486.db2.gz WAMSQMOQWVFLNR-HXUWFJFHSA-N -1 3 393.439 3.829 20 10 GHCDHM COC(=O)c1cnc([C@H](C)N[C@H](C)c2cc(Br)ccc2[O-])s1 ZINC000818358350 896145116 /nfs/dbraw/zinc/14/51/16/896145116.db2.gz WWXALQAQBWXDEJ-BDAKNGLRSA-N -1 3 385.283 3.810 20 10 GHCDHM COc1cc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])ccc1Br ZINC000774931951 914102264 /nfs/dbraw/zinc/10/22/64/914102264.db2.gz YKGFMXZHHJQGOZ-UHFFFAOYSA-N -1 3 383.198 3.692 20 10 GHCDHM CCOCCOc1ccc(Cl)cc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774935250 914124797 /nfs/dbraw/zinc/12/47/97/914124797.db2.gz FPQRDKXYMDFRCU-UHFFFAOYSA-N -1 3 396.827 3.990 20 10 GHCDHM CN1CCN(Cc2cc(Br)c(F)cc2[O-])[C@@H](c2ccccc2)C1 ZINC001144299530 901649017 /nfs/dbraw/zinc/64/90/17/901649017.db2.gz ZXMZKSXCLFVBQW-QGZVFWFLSA-N -1 3 379.273 3.783 20 10 GHCDHM COc1c([O-])c(CNc2cc3c(cc2Cl)OCCCO3)ccc1[N+](=O)[O-] ZINC000775045978 914735968 /nfs/dbraw/zinc/73/59/68/914735968.db2.gz DPVRQCOKYIBVEP-UHFFFAOYSA-N -1 3 380.784 3.736 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000365915740 921247956 /nfs/dbraw/zinc/24/79/56/921247956.db2.gz OMKBZYGOXQIEEX-UHFFFAOYSA-N -1 3 389.451 3.889 20 10 GHCDHM COc1c([O-])c(CN(C)Cc2ccc(Br)c(F)c2)ccc1[N+](=O)[O-] ZINC000775119743 915257584 /nfs/dbraw/zinc/25/75/84/915257584.db2.gz VNOUSZFDCAOEIY-UHFFFAOYSA-N -1 3 399.216 3.843 20 10 GHCDHM O=S(=O)(Cc1ccc(Cl)cc1F)Nc1ccc([O-])c(Br)c1 ZINC001191898105 918288646 /nfs/dbraw/zinc/28/86/46/918288646.db2.gz NJTPMAQHXGJKTE-UHFFFAOYSA-N -1 3 394.649 3.889 20 10 GHCDHM CC(=O)c1cc(F)cc(CN(C2CC2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000749480256 927125178 /nfs/dbraw/zinc/12/51/78/927125178.db2.gz KJXFISQUUDLFKJ-KRWDZBQOSA-N -1 3 392.471 3.708 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)c([O-])c1O ZINC000780871138 930622305 /nfs/dbraw/zinc/62/23/05/930622305.db2.gz QLBADUIKOFRVKE-UHFFFAOYSA-N -1 3 381.457 3.678 20 10 GHCDHM C[C@H](NCc1cc(C(F)(F)F)nn1C)c1cc(Br)cc(F)c1[O-] ZINC000926927335 932352239 /nfs/dbraw/zinc/35/22/39/932352239.db2.gz HIRAXXNFLVGKLF-ZETCQYMHSA-N -1 3 396.182 3.897 20 10 GHCDHM C[C@H](Nc1cnc(N2CCOCC2)c(Br)c1)c1ccc(F)cc1[O-] ZINC000798941405 932827288 /nfs/dbraw/zinc/82/72/88/932827288.db2.gz XOIHRTDLXAJZLX-NSHDSACASA-N -1 3 396.260 3.699 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC([C@H]3C(=O)Nc4ccccc43)CC2)c1[O-] ZINC001116211674 933406481 /nfs/dbraw/zinc/40/64/81/933406481.db2.gz PULUXWSMILCMPU-HXUWFJFHSA-N -1 3 382.435 3.682 20 10 GHCDHM CCOCCCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCCCC1 ZINC001122651307 934935123 /nfs/dbraw/zinc/93/51/23/934935123.db2.gz YHAOJFPSJBGSMU-UHFFFAOYSA-N -1 3 387.509 3.677 20 10 GHCDHM Cc1c(NC(=O)NCc2c([O-])cccc2F)cnn1-c1ccc(F)cc1F ZINC001626042779 1014822157 /nfs/dbraw/zinc/82/21/57/1014822157.db2.gz QZICGZRADUEPCD-UHFFFAOYSA-N -1 3 376.338 3.625 20 10 GHCDHM C[C@H]([NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593298369 994713772 /nfs/dbraw/zinc/71/37/72/994713772.db2.gz IZXYVKROZVDOKK-AWEZNQCLSA-N -1 3 391.427 3.589 20 10 GHCDHM C[C@H](c1ccccc1)N(C)C(=O)CN(C)Cc1cccc(Br)c1[O-] ZINC000800543470 1021318585 /nfs/dbraw/zinc/31/85/85/1021318585.db2.gz CFIWAXUAPZBLEY-CQSZACIVSA-N -1 3 391.309 3.806 20 10 GHCDHM [O-]c1cc(F)cc(F)c1CN1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001140581340 1022002302 /nfs/dbraw/zinc/00/23/02/1022002302.db2.gz PAAOFBLVXLFOTP-PZJWPPBQSA-N -1 3 390.430 3.516 20 10 GHCDHM CSCC[C@H](N[C@H](C)c1cc(F)cc(F)c1[O-])c1nnc2ccccn21 ZINC000756364948 1023608308 /nfs/dbraw/zinc/60/83/08/1023608308.db2.gz MFGBZXYEGGXICO-ABAIWWIYSA-N -1 3 378.448 3.858 20 10 GHCDHM C[C@@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[n-]1)c1ccc(Br)cc1[O-] ZINC000756742134 1023795385 /nfs/dbraw/zinc/79/53/85/1023795385.db2.gz KFTPQXOHUYHJBK-SNVBAGLBSA-N -1 3 391.244 3.930 20 10 GHCDHM COC(=O)CC1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141367872 1024741709 /nfs/dbraw/zinc/74/17/09/1024741709.db2.gz UZQFXHLFIPLQEH-UHFFFAOYSA-N -1 3 376.678 3.583 20 10 GHCDHM CC(C)(C)OC(=O)NC1CC2(C1)CN(Cc1c([O-])cccc1Br)C2 ZINC001140101283 1026881249 /nfs/dbraw/zinc/88/12/49/1026881249.db2.gz OZEPOEONIFRRBG-UHFFFAOYSA-N -1 3 397.313 3.644 20 10 GHCDHM O=C(NC1CCC1)[C@@H]1CC12CCN(Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC001203579719 1027447230 /nfs/dbraw/zinc/44/72/30/1027447230.db2.gz RWWNXELJAHMJLS-HNNXBMFYSA-N -1 3 383.319 3.970 20 10 GHCDHM [O-]c1ccc(Br)cc1CN1CCN(c2ncccc2Cl)CC1 ZINC001203645746 1027503017 /nfs/dbraw/zinc/50/30/17/1027503017.db2.gz OXRAIDQDQXAMMC-UHFFFAOYSA-N -1 3 382.689 3.525 20 10 GHCDHM Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2cc(Cl)ccc2[O-])cs1 ZINC001203658378 1027514468 /nfs/dbraw/zinc/51/44/68/1027514468.db2.gz LDINIEWSVNZULM-QXAKKESOSA-N -1 3 394.924 3.759 20 10 GHCDHM CCOC[C@@H]1CN(Cc2cc(Cl)ccc2[O-])Cc2cnn(CC3CC3)c21 ZINC001203659719 1027515568 /nfs/dbraw/zinc/51/55/68/1027515568.db2.gz YZTYOBIDKQIUGI-KRWDZBQOSA-N -1 3 375.900 3.788 20 10 GHCDHM COC(C)(C)CS(=O)(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000840910513 1027946211 /nfs/dbraw/zinc/94/62/11/1027946211.db2.gz IHOJELRQKQNSLF-UHFFFAOYSA-N -1 3 392.502 3.836 20 10 GHCDHM C[C@@]1(C(=O)[O-])CCN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000840998726 1028030781 /nfs/dbraw/zinc/03/07/81/1028030781.db2.gz PPWZXWHEMMVQOC-GOSISDBHSA-N -1 3 381.314 3.736 20 10 GHCDHM [O-]c1c(O)cccc1-c1nc(-c2cccc(-c3nc(-c4cccnc4)no3)c2)no1 ZINC001215145832 1029059373 /nfs/dbraw/zinc/05/93/73/1029059373.db2.gz LUMAHUHLIWBTAH-UHFFFAOYSA-N -1 3 399.366 3.927 20 10 GHCDHM CC(=O)c1ccc(Br)c(-c2noc(-c3ccc([O-])c(O)c3)n2)c1 ZINC001215304596 1029141266 /nfs/dbraw/zinc/14/12/66/1029141266.db2.gz UOTKGLSOVKSDHL-UHFFFAOYSA-N -1 3 375.178 3.780 20 10 GHCDHM COC([O-])=NC(=S)N(c1ccccc1N)c1ccc(N)cc1C(F)(F)F ZINC001216134710 1029537899 /nfs/dbraw/zinc/53/78/99/1029537899.db2.gz PDROYUZJMKBEKF-UHFFFAOYSA-N -1 3 384.383 3.649 20 10 GHCDHM Cc1cc(-c2noc(-c3ccc([O-])c(O)c3Cl)n2)ncc1Br ZINC001216954239 1030027159 /nfs/dbraw/zinc/02/71/59/1030027159.db2.gz TYLRFRXOLDFRNK-UHFFFAOYSA-N -1 3 382.601 3.934 20 10 GHCDHM Nc1nc2ccc(C(=O)NCc3cc(Cl)c4cccnc4c3[O-])cc2s1 ZINC001150508944 1030549486 /nfs/dbraw/zinc/54/94/86/1030549486.db2.gz DHMSSVMYYKJRGE-UHFFFAOYSA-N -1 3 384.848 3.716 20 10 GHCDHM C[C@H]1NC[C@H]1Oc1cc2c(-c3ccccc3)c3cc(O)c([O-])cc3oc-2cc1=O ZINC001218386478 1030915683 /nfs/dbraw/zinc/91/56/83/1030915683.db2.gz NFHDFRCOAFMEBV-VERVWZFWSA-N -1 3 389.407 3.715 20 10 GHCDHM CCOC(=O)c1cc(F)cnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001157723803 1033739774 /nfs/dbraw/zinc/73/97/74/1033739774.db2.gz DIMPOWOQZAGJLG-UHFFFAOYSA-N -1 3 375.787 3.917 20 10 GHCDHM Cc1cc([O-])c(CN2CCO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1Cl ZINC001207868907 1034630675 /nfs/dbraw/zinc/63/06/75/1034630675.db2.gz LDODQTDOLMGONM-FQEVSTJZSA-N -1 3 396.915 3.566 20 10 GHCDHM Cc1cc([O-])c(CN2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)cc1Cl ZINC001231868689 1034954733 /nfs/dbraw/zinc/95/47/33/1034954733.db2.gz WHVGFJHVHJJFTK-CEWLAPEOSA-N -1 3 388.895 3.698 20 10 GHCDHM CCN(Cc1cc(Br)ccc1[O-])[C@H](C)c1ncc(C(=O)OC)s1 ZINC001461945906 1069907964 /nfs/dbraw/zinc/90/79/64/1069907964.db2.gz ZHYOWPSHXKWMBV-SNVBAGLBSA-N -1 3 399.310 3.981 20 10 GHCDHM COC[C@@H]1CN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])Cc2cn(C)nc21 ZINC001248881962 1036221567 /nfs/dbraw/zinc/22/15/67/1036221567.db2.gz CJYIQLFIRBTDDN-HNNXBMFYSA-N -1 3 377.916 3.822 20 10 GHCDHM COC[C@@H]1Cn2ccnc2CN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])C1 ZINC001248883082 1036223149 /nfs/dbraw/zinc/22/31/49/1036223149.db2.gz VUNNRYJGHCBTTC-AWEZNQCLSA-N -1 3 377.916 3.818 20 10 GHCDHM [O-]c1cc(O)c(CN2CCN(c3nc4ccccc4s3)CC2)cc1Cl ZINC001232261868 1037982548 /nfs/dbraw/zinc/98/25/48/1037982548.db2.gz RVQIWSOKEVSKBL-UHFFFAOYSA-N -1 3 375.881 3.683 20 10 GHCDHM COc1ccc(Cl)cc1N1CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232268184 1037989969 /nfs/dbraw/zinc/98/99/69/1037989969.db2.gz MQPGZKWWYIEVNW-UHFFFAOYSA-N -1 3 383.275 3.735 20 10 GHCDHM COc1cc([O-])c(CN2CCN(c3ccccc3Cl)C(=O)C2)cc1Cl ZINC001232271599 1037997258 /nfs/dbraw/zinc/99/72/58/1037997258.db2.gz XYEIZEMQLGMMLZ-UHFFFAOYSA-N -1 3 381.259 3.556 20 10 GHCDHM Cc1cnccc1O[C@H]1CCN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233033672 1038788329 /nfs/dbraw/zinc/78/83/29/1038788329.db2.gz TVLWBCJYKLBJPP-ZDUSSCGKSA-N -1 3 381.245 3.651 20 10 GHCDHM [O-]c1ccc(F)c(F)c1CN1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 ZINC001233333212 1039132063 /nfs/dbraw/zinc/13/20/63/1039132063.db2.gz OAGMTLOCLQJOAS-IBGZPJMESA-N -1 3 395.400 3.803 20 10 GHCDHM O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1)c1ccc(F)cc1 ZINC001233419518 1039279840 /nfs/dbraw/zinc/27/98/40/1039279840.db2.gz ANZHOEMRFVTJBU-UHFFFAOYSA-N -1 3 396.384 3.945 20 10 GHCDHM O=C1Nc2ccccc2CN1C1CN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233455457 1039347354 /nfs/dbraw/zinc/34/73/54/1039347354.db2.gz LUBAEODCJQXVFL-UHFFFAOYSA-N -1 3 377.366 3.643 20 10 GHCDHM COc1ccc(CN(C)Cc2cc(F)cc(Br)c2[O-])c(OC)c1 ZINC001235304131 1040779065 /nfs/dbraw/zinc/77/90/65/1040779065.db2.gz RHJGRARLCXAUJP-UHFFFAOYSA-N -1 3 384.245 3.943 20 10 GHCDHM [O-]c1c(Br)cc(F)cc1CN1C[C@@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC001235309997 1040784012 /nfs/dbraw/zinc/78/40/12/1040784012.db2.gz ZTOHYFUMWLTDIE-GASCZTMLSA-N -1 3 391.284 3.862 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCN(c3ccccc3F)CC2)c1 ZINC001236665220 1041812129 /nfs/dbraw/zinc/81/21/29/1041812129.db2.gz HTURWWHZKNWDQP-UHFFFAOYSA-N -1 3 379.273 3.924 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCN(c3cccc(F)c3)CC2)c1 ZINC001236669183 1041816243 /nfs/dbraw/zinc/81/62/43/1041816243.db2.gz HNHDCFQUBUCWKH-UHFFFAOYSA-N -1 3 379.273 3.924 20 10 GHCDHM COc1cc([O-])c(CN2CCN(c3nsc4ccccc43)CC2)c(Cl)c1 ZINC001236796670 1041900695 /nfs/dbraw/zinc/90/06/95/1041900695.db2.gz XPIXGVJTRBDGAT-UHFFFAOYSA-N -1 3 389.908 3.986 20 10 GHCDHM COc1ccc(CN2CC[C@H](N3Cc4ccccc4NC3=O)C2)c([O-])c1Cl ZINC001236810277 1041910391 /nfs/dbraw/zinc/91/03/91/1041910391.db2.gz RCSXOQWJIJCVFY-HNNXBMFYSA-N -1 3 387.867 3.676 20 10 GHCDHM COc1ccc(CN2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C)c([O-])c1Cl ZINC001236809768 1041910577 /nfs/dbraw/zinc/91/05/77/1041910577.db2.gz OGHPMFVVTKYKNR-GXTWGEPZSA-N -1 3 384.904 3.932 20 10 GHCDHM O=C1C[C@@]2(CN1CC(F)(F)F)CCCCN2Cc1c([O-])ccc(F)c1Cl ZINC001278023525 1041942140 /nfs/dbraw/zinc/94/21/40/1041942140.db2.gz ZCBOPAHPRWUJMJ-MRXNPFEDSA-N -1 3 394.796 3.704 20 10 GHCDHM COc1cc([O-])c(CN2CCN(c3cccc(C)c3)CC2)c(Br)c1 ZINC001237058493 1042012669 /nfs/dbraw/zinc/01/26/69/1042012669.db2.gz ABBZLVOVFRGNIF-UHFFFAOYSA-N -1 3 391.309 3.794 20 10 GHCDHM COc1cc(C)nc(OC2CCN(Cc3c([O-])ccc(Cl)c3Cl)CC2)n1 ZINC001237085893 1042028929 /nfs/dbraw/zinc/02/89/29/1042028929.db2.gz KQTSXKNYICJHCG-UHFFFAOYSA-N -1 3 398.290 3.849 20 10 GHCDHM [O-]c1ccc(F)c(Cl)c1CN1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001237122152 1042049899 /nfs/dbraw/zinc/04/98/99/1042049899.db2.gz SKCQGHBGGJXUDE-LSBZLQRGSA-N -1 3 392.858 3.781 20 10 GHCDHM CN(Cc1cc(Cl)cc(F)c1[O-])C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001237623169 1042289725 /nfs/dbraw/zinc/28/97/25/1042289725.db2.gz JECRPLRZHVLIPW-SFHVURJKSA-N -1 3 378.875 3.518 20 10 GHCDHM [O-]c1c(I)cccc1CN1CC[C@@H](Oc2ccccc2)C1 ZINC001237776489 1042364255 /nfs/dbraw/zinc/36/42/55/1042364255.db2.gz AVCLLSSUIZIDEB-OAHLLOKOSA-N -1 3 395.240 3.650 20 10 GHCDHM [O-]c1c(I)cccc1CN1CC[C@@H](F)C(F)(F)CC1 ZINC001237786168 1042368995 /nfs/dbraw/zinc/36/89/95/1042368995.db2.gz MNPZNLYBQANRKT-LLVKDONJSA-N -1 3 385.167 3.566 20 10 GHCDHM O=C(NC1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1)c1cccc(F)c1 ZINC001237939732 1042430338 /nfs/dbraw/zinc/43/03/38/1042430338.db2.gz FPPJYFHTWHBMQV-UHFFFAOYSA-N -1 3 380.822 3.718 20 10 GHCDHM CCn1c2ccccc2nc1N1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237941613 1042431105 /nfs/dbraw/zinc/43/11/05/1042431105.db2.gz ZGXUWMNQUHCJME-UHFFFAOYSA-N -1 3 388.874 3.877 20 10 GHCDHM Cc1ccccc1CS(=O)(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001260024553 1045360749 /nfs/dbraw/zinc/36/07/49/1045360749.db2.gz RQZPIEULKAATRC-UHFFFAOYSA-N -1 3 376.865 3.522 20 10 GHCDHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)c1 ZINC001302261206 1046889492 /nfs/dbraw/zinc/88/94/92/1046889492.db2.gz GSKIMWPEYOGWEL-UHFFFAOYSA-N -1 3 391.471 3.997 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2cn(C)nc2Br)c1 ZINC001308459925 1049981682 /nfs/dbraw/zinc/98/16/82/1049981682.db2.gz YKSFABTZJOLJIQ-UHFFFAOYSA-N -1 3 375.064 3.571 20 10 GHCDHM CCOC(=O)[C@H](NCc1cc(Cl)c(C)cc1[O-])[C@H](O)c1ccc(Cl)cc1 ZINC001308876759 1050134732 /nfs/dbraw/zinc/13/47/32/1050134732.db2.gz GWYWASSYJKWHMA-QZTJIDSGSA-N -1 3 398.286 3.762 20 10 GHCDHM CC[C@@H]1CCN(c2nnc(-c3sc4ncccc4c3[O-])n2C[C@@H]2CCOC2)C1 ZINC001348913969 1063400024 /nfs/dbraw/zinc/40/00/24/1063400024.db2.gz XSGYQHPCNTWTHY-KGLIPLIRSA-N -1 3 399.520 3.533 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC2(CC2(F)F)CC1 ZINC001357517886 1067142072 /nfs/dbraw/zinc/14/20/72/1067142072.db2.gz QUXCYKXZEHZKAX-UHFFFAOYSA-N -1 3 391.447 3.906 20 10 GHCDHM [O-]c1c(F)cc(Br)cc1CNCc1cccc2c1OCCCO2 ZINC001474059652 1074251097 /nfs/dbraw/zinc/25/10/97/1074251097.db2.gz HLBFBHGKDJMTQU-UHFFFAOYSA-N -1 3 382.229 3.745 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN(C)[C@H](c2nc[nH]n2)c2ccccc2)c1 ZINC001474570233 1074467331 /nfs/dbraw/zinc/46/73/31/1074467331.db2.gz AHQFAIKNGASGMW-INIZCTEOSA-N -1 3 387.281 3.803 20 10 GHCDHM Cc1cc(C(=O)N2CCC[C@H]3CCC[C@H]32)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235415 599247602 /nfs/dbraw/zinc/24/76/02/599247602.db2.gz XSCPFXFJLPYEJU-OXQOHEQNSA-N -1 3 390.491 3.679 20 10 GHCDHM Cc1cc(C(=O)Nc2ccccc2F)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737237982 598609415 /nfs/dbraw/zinc/60/94/15/598609415.db2.gz GBFLGWZCWYXPPA-UHFFFAOYSA-N -1 3 376.395 3.666 20 10 GHCDHM Cc1ccc([C@@H](C)NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)o1 ZINC000737320226 598611072 /nfs/dbraw/zinc/61/10/72/598611072.db2.gz JBRRXBROUWPFEN-CQSZACIVSA-N -1 3 390.447 3.667 20 10 GHCDHM Fc1ccc2c(C3=CCN(c4ccc(F)cc4-c4nnn[n-]4)CC3)c[nH]c2c1 ZINC000822779625 599483825 /nfs/dbraw/zinc/48/38/25/599483825.db2.gz YWQUIWXZAWKRAI-UHFFFAOYSA-N -1 3 378.386 3.920 20 10 GHCDHM Fc1ccc2c(C3=CCN(c4ccc(F)cc4-c4nn[n-]n4)CC3)c[nH]c2c1 ZINC000822779625 599483826 /nfs/dbraw/zinc/48/38/26/599483826.db2.gz YWQUIWXZAWKRAI-UHFFFAOYSA-N -1 3 378.386 3.920 20 10 GHCDHM CC[C@H]1C[C@H](C)CN1C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000820966387 599655911 /nfs/dbraw/zinc/65/59/11/599655911.db2.gz DOXQLRJVLNJTRB-GUYCJALGSA-N -1 3 378.480 3.535 20 10 GHCDHM Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)s3)SC2=S)c1 ZINC000822196753 606393842 /nfs/dbraw/zinc/39/38/42/606393842.db2.gz VYXKWWYZNADUNY-ZSOIEALJSA-N -1 3 399.526 3.951 20 10 GHCDHM Cc1cc(C)c(O)c(CN(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)c1 ZINC000826263841 607846349 /nfs/dbraw/zinc/84/63/49/607846349.db2.gz SJEISOYLPNEKHZ-UHFFFAOYSA-N -1 3 391.397 3.754 20 10 GHCDHM Cc1cc(C)c(O)c(CN(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)c1 ZINC000826263841 607846350 /nfs/dbraw/zinc/84/63/50/607846350.db2.gz SJEISOYLPNEKHZ-UHFFFAOYSA-N -1 3 391.397 3.754 20 10 GHCDHM COc1c([O-])c(CNc2ccc(CN(C(C)=O)C(C)C)cc2)ccc1[N+](=O)[O-] ZINC000278640531 835673634 /nfs/dbraw/zinc/67/36/34/835673634.db2.gz HXFFOUFZYUFTDA-UHFFFAOYSA-N -1 3 387.436 3.678 20 10 GHCDHM COc1c([O-])c(CNc2ccc(OCC3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000278938397 842298818 /nfs/dbraw/zinc/29/88/18/842298818.db2.gz XKMNGPAGDMGUSK-UHFFFAOYSA-N -1 3 388.420 3.727 20 10 GHCDHM COC(=O)[C@@]1(C)CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141372887 843269892 /nfs/dbraw/zinc/26/98/92/843269892.db2.gz BOMXRRGSMWPSHB-HNNXBMFYSA-N -1 3 376.678 3.583 20 10 GHCDHM COc1c([O-])c(CNc2ccc(CNC(=O)OC(C)C)cc2)ccc1[N+](=O)[O-] ZINC000278886339 843536620 /nfs/dbraw/zinc/53/66/20/843536620.db2.gz OWWPEJAADQKZOF-UHFFFAOYSA-N -1 3 389.408 3.556 20 10 GHCDHM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cc(C)c(O)c(C)c3C)cc2F)c1 ZINC000187059687 858934289 /nfs/dbraw/zinc/93/42/89/858934289.db2.gz GALDNSNNEVOQGF-UHFFFAOYSA-N -1 3 389.452 3.751 20 10 GHCDHM C[C@]1(O)CCCN(Cc2cc(Br)cc(Br)c2[O-])CC1 ZINC000793249634 882046466 /nfs/dbraw/zinc/04/64/66/882046466.db2.gz HISFPVJLVOVJIT-AWEZNQCLSA-N -1 3 393.119 3.654 20 10 GHCDHM C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000768817629 873600636 /nfs/dbraw/zinc/60/06/36/873600636.db2.gz RZIYBBYUQHHDNK-HNNXBMFYSA-N -1 3 398.894 3.974 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)c([O-])c1O ZINC000770470112 874701788 /nfs/dbraw/zinc/70/17/88/874701788.db2.gz WRDXPKVRPDPHOP-ZIAGYGMSSA-N -1 3 382.460 3.777 20 10 GHCDHM CC(C)[C@H](NCc1c([O-])cccc1Br)c1nnc2ccccn21 ZINC000858120291 882861003 /nfs/dbraw/zinc/86/10/03/882861003.db2.gz BHRGEFRLPSRZIX-INIZCTEOSA-N -1 3 375.270 3.684 20 10 GHCDHM COc1ccc(NC(=O)Nc2ccc([O-])c3c2C(=O)c2ccccc2C3=O)cc1 ZINC001202393818 876196511 /nfs/dbraw/zinc/19/65/11/876196511.db2.gz ICGBKAGFWHZTND-UHFFFAOYSA-N -1 3 388.379 3.820 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000790911744 880085908 /nfs/dbraw/zinc/08/59/08/880085908.db2.gz JKCZSQPSHRVDGX-UHFFFAOYSA-N -1 3 381.259 3.757 20 10 GHCDHM O=C(NCC(F)F)[C@H]1CC12CCN(Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC001275236951 912783037 /nfs/dbraw/zinc/78/30/37/912783037.db2.gz RSQQONXGKBNVOY-GFCCVEGCSA-N -1 3 393.261 3.682 20 10 GHCDHM Cc1cc(S(=O)(=O)[N-]Cc2cc(Br)ccc2O)sc1Cl ZINC000796190926 913626457 /nfs/dbraw/zinc/62/64/57/913626457.db2.gz GUSRVYAYGJIQNR-UHFFFAOYSA-N -1 3 396.715 3.657 20 10 GHCDHM [O-]c1c(Br)cc(Br)cc1CN1CCC[C@H](CO)CC1 ZINC000816665596 895010298 /nfs/dbraw/zinc/01/02/98/895010298.db2.gz NJFDUWXCKJXMQN-JTQLQIEISA-N -1 3 393.119 3.512 20 10 GHCDHM CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000819756598 896989095 /nfs/dbraw/zinc/98/90/95/896989095.db2.gz ZUYQXEFJHAPLDE-UHFFFAOYSA-N -1 3 396.439 3.745 20 10 GHCDHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(O)c(C(C)C)c3)cc2C[C@H]1C ZINC000882798245 896999107 /nfs/dbraw/zinc/99/91/07/896999107.db2.gz ASAUVIQFUVWFLO-CYBMUJFWSA-N -1 3 388.489 3.614 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])Nc1ccc2c(c1)OCCO2 ZINC001185987123 914214690 /nfs/dbraw/zinc/21/46/90/914214690.db2.gz XLJRMRDZZKNSOP-UHFFFAOYSA-N -1 3 385.807 3.687 20 10 GHCDHM CC(C)C(=O)N1CCC[C@@]12CCN(Cc1cc(Br)c(F)cc1[O-])C2 ZINC001144299816 901651510 /nfs/dbraw/zinc/65/15/10/901651510.db2.gz JJOLHRZGYSDBNB-SFHVURJKSA-N -1 3 399.304 3.517 20 10 GHCDHM CC(C)N1CC2(CC1=O)CCN(Cc1cc(Br)c(F)cc1[O-])CC2 ZINC001144308342 901700657 /nfs/dbraw/zinc/70/06/57/901700657.db2.gz VZPYPFBJKZYUHG-UHFFFAOYSA-N -1 3 399.304 3.517 20 10 GHCDHM CSc1cccnc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000845833883 902443210 /nfs/dbraw/zinc/44/32/10/902443210.db2.gz OVKTWDUBQUXQLV-OAHLLOKOSA-N -1 3 391.924 3.557 20 10 GHCDHM Cc1cc(NC(=O)c2cc(O)c([O-])c(O)c2)n(-c2ccc(C(F)(F)F)cc2)n1 ZINC001148582259 904126155 /nfs/dbraw/zinc/12/61/55/904126155.db2.gz HQEJQUSDZVMNFF-UHFFFAOYSA-N -1 3 393.321 3.569 20 10 GHCDHM CCOC(=O)CN(Cc1ccsc1)Cc1cc(Br)ccc1[O-] ZINC001203645454 914802111 /nfs/dbraw/zinc/80/21/11/914802111.db2.gz JXBMIKBKGHNUAK-UHFFFAOYSA-N -1 3 384.295 3.782 20 10 GHCDHM [O-]c1c(Br)cccc1CNCc1c(F)cncc1Br ZINC001181464089 910776914 /nfs/dbraw/zinc/77/69/14/910776914.db2.gz IPVASLCANATMOO-UHFFFAOYSA-N -1 3 390.050 3.741 20 10 GHCDHM CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000284412697 911855324 /nfs/dbraw/zinc/85/53/24/911855324.db2.gz QPRXXMIFUBNKJB-QWHCGFSZSA-N -1 3 378.450 3.506 20 10 GHCDHM COc1cccc([C@H]2CN(Cc3cc(Br)ccc3[O-])CCO2)c1 ZINC000093079462 912047792 /nfs/dbraw/zinc/04/77/92/912047792.db2.gz ROQVJEAOPSQOJE-GOSISDBHSA-N -1 3 378.266 3.737 20 10 GHCDHM [O-]c1ccc(Br)cc1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000775153944 915606892 /nfs/dbraw/zinc/60/68/92/915606892.db2.gz XPOWWSTVZLUQKP-UHFFFAOYSA-N -1 3 387.071 3.913 20 10 GHCDHM Cn1cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c(C(F)(F)F)c1 ZINC001188274052 915867817 /nfs/dbraw/zinc/86/78/17/915867817.db2.gz QYWDXRRRNSDTHJ-UHFFFAOYSA-N -1 3 383.757 3.881 20 10 GHCDHM [O-]c1c(Br)cccc1CN1CCC(Oc2ncccc2F)CC1 ZINC000775207727 916265994 /nfs/dbraw/zinc/26/59/94/916265994.db2.gz XKFDJNQUUNILCG-UHFFFAOYSA-N -1 3 381.245 3.732 20 10 GHCDHM Cc1ccc([C@@H](NCc2cc(Cl)c(F)cc2[O-])[C@@H](C)S(C)(=O)=O)cc1 ZINC000294720782 916946610 /nfs/dbraw/zinc/94/66/10/916946610.db2.gz PJERKQCAUCWFEM-XIKOKIGWSA-N -1 3 385.888 3.757 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000757588581 929737119 /nfs/dbraw/zinc/73/71/19/929737119.db2.gz DOOUKRJJHYBJSH-XHSDSOJGSA-N -1 3 384.476 3.966 20 10 GHCDHM O=[N+]([O-])c1cc(Cl)cc(CN[C@H](CO)c2ccc(C(F)(F)F)cc2)c1[O-] ZINC000758633026 930111619 /nfs/dbraw/zinc/11/16/19/930111619.db2.gz LFKCIVIWLKOBBA-CYBMUJFWSA-N -1 3 390.745 3.796 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)c([O-])c1O ZINC000780919176 930639021 /nfs/dbraw/zinc/63/90/21/930639021.db2.gz RIKHWMNIDVPUHK-UHFFFAOYSA-N -1 3 384.432 3.956 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000781896431 931015298 /nfs/dbraw/zinc/01/52/98/931015298.db2.gz KUZINGGTUQERAY-UHFFFAOYSA-N -1 3 399.329 3.952 20 10 GHCDHM CC(C)(C)OC(=O)NC1(C)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000783719190 931629124 /nfs/dbraw/zinc/62/91/24/931629124.db2.gz GZXIWVUJOAMGQC-UHFFFAOYSA-N -1 3 399.875 3.833 20 10 GHCDHM CC[C@H](Nc1ccc(OC)c(-n2nnnc2C2CC2)c1)c1ccc(F)cc1[O-] ZINC000796923910 932111287 /nfs/dbraw/zinc/11/12/87/932111287.db2.gz QSEPNNLKTXOKET-INIZCTEOSA-N -1 3 383.427 3.956 20 10 GHCDHM COc1ccc(N2CCC(N[C@@H](C(=O)[O-])c3c(F)cccc3Cl)CC2)cc1 ZINC001599586736 993623620 /nfs/dbraw/zinc/62/36/20/993623620.db2.gz VISQVRKKUWVPGW-LJQANCHMSA-N -1 3 392.858 3.872 20 10 GHCDHM COc1cc(OC2CCC(OC)CC2)c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O ZINC001227393303 1032401984 /nfs/dbraw/zinc/40/19/84/1032401984.db2.gz QBRZBWKHUBXJFJ-UHFFFAOYSA-N -1 3 396.439 3.821 20 10 GHCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001227937881 1032705806 /nfs/dbraw/zinc/70/58/06/1032705806.db2.gz OISCTVRVUWXEAP-KRWDZBQOSA-N -1 3 391.379 3.783 20 10 GHCDHM CCn1ncc2c1CN(Cc1c([O-])cccc1Cl)C[C@H]2COCC1CC1 ZINC001140338362 1021445606 /nfs/dbraw/zinc/44/56/06/1021445606.db2.gz GVRLLFKLUSJSJX-HNNXBMFYSA-N -1 3 375.900 3.788 20 10 GHCDHM [O-]c1cccc(Cl)c1CN1CCO[C@H]2[C@H]1CC[C@H]2COCc1cccnc1 ZINC001140344455 1021458039 /nfs/dbraw/zinc/45/80/39/1021458039.db2.gz KHSZIFPKPAJQGB-LDQXTDLNSA-N -1 3 388.895 3.637 20 10 GHCDHM [O-]c1cc(Cl)ccc1CN1CCO[C@H]2[C@H]1CC[C@H]2COCc1cccnc1 ZINC001140464782 1021756870 /nfs/dbraw/zinc/75/68/70/1021756870.db2.gz BIOMYQCURBFUOF-FBBABVLZSA-N -1 3 388.895 3.637 20 10 GHCDHM CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(Cc1c([O-])cc(F)cc1F)C2 ZINC001140582758 1022003433 /nfs/dbraw/zinc/00/34/33/1022003433.db2.gz MCGUEJXOEXEXGK-HXUWFJFHSA-N -1 3 382.451 3.893 20 10 GHCDHM [O-]c1c(O)cc2c(c1Cl)CCN(Cc1cocn1)C[C@@H]2c1ccc(O)cc1 ZINC001141130483 1023554612 /nfs/dbraw/zinc/55/46/12/1023554612.db2.gz PSUQFAWIDSWPMQ-QGZVFWFLSA-N -1 3 386.835 3.635 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2nn(-c3ccccc3)c3c2CCC3)c1 ZINC000756449489 1023657694 /nfs/dbraw/zinc/65/76/94/1023657694.db2.gz MZRLPCUSEONNSO-HNNXBMFYSA-N -1 3 391.471 3.704 20 10 GHCDHM C[C@@H](N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756778636 1023813480 /nfs/dbraw/zinc/81/34/80/1023813480.db2.gz OEZHXBRYPDAXMP-HWPZZCPQSA-N -1 3 393.802 3.549 20 10 GHCDHM Cc1ncc(CNCc2cc(Br)cc(Br)c2[O-])o1 ZINC000839168462 1025678990 /nfs/dbraw/zinc/67/89/90/1025678990.db2.gz AWBKJRKPDZXNPI-UHFFFAOYSA-N -1 3 376.048 3.503 20 10 GHCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1C[C@@H]2C[C@H]1CN2c1ccccc1Cl ZINC001139129894 1025941455 /nfs/dbraw/zinc/94/14/55/1025941455.db2.gz JKIQTFJFVHJJJX-GJZGRUSLSA-N -1 3 396.874 3.924 20 10 GHCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001139130916 1025943124 /nfs/dbraw/zinc/94/31/24/1025943124.db2.gz JJPRGFSPDKRDHU-KRWDZBQOSA-N -1 3 378.472 3.513 20 10 GHCDHM CCOC[C@H]1CN(Cc2c([O-])cccc2Br)Cc2c1cnn2CC ZINC001140100022 1026877509 /nfs/dbraw/zinc/87/75/09/1026877509.db2.gz BKJCYRHTSGRDTH-CYBMUJFWSA-N -1 3 394.313 3.507 20 10 GHCDHM CC(C)(C)OC(=O)N1CCN(Cc2cc(Br)ccc2[O-])C2(CC2)C1 ZINC001203635901 1027494034 /nfs/dbraw/zinc/49/40/34/1027494034.db2.gz KYBDMVXFLIALJU-UHFFFAOYSA-N -1 3 397.313 3.740 20 10 GHCDHM [O-]c1ccc(Cl)cc1CN1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001203659659 1027517346 /nfs/dbraw/zinc/51/73/46/1027517346.db2.gz WZYONNOKLPBFMH-IYJAJMOOSA-N -1 3 394.924 3.698 20 10 GHCDHM COc1c([O-])c(CNc2ccc(C(=O)NCC(C)C)cc2C)ccc1[N+](=O)[O-] ZINC000840952858 1027982951 /nfs/dbraw/zinc/98/29/51/1027982951.db2.gz WNSYGTKPMNRKLN-UHFFFAOYSA-N -1 3 387.436 3.615 20 10 GHCDHM [O-]c1c(O)cccc1-c1nc(-c2ccc(I)c(F)c2)no1 ZINC001215145861 1029058509 /nfs/dbraw/zinc/05/85/09/1029058509.db2.gz NMAHZRADHVBKDP-UHFFFAOYSA-N -1 3 398.131 3.559 20 10 GHCDHM COc1cc(Br)c(-c2noc(-c3cccc(O)c3[O-])n2)cc1OC ZINC001215145864 1029059498 /nfs/dbraw/zinc/05/94/98/1029059498.db2.gz NPACEWIWSFDOAY-UHFFFAOYSA-N -1 3 393.193 3.595 20 10 GHCDHM CCOC(OCC)c1ccc(F)c(-c2noc(-c3ccc(O)c(O)c3[O-])n2)c1 ZINC001215325241 1029153166 /nfs/dbraw/zinc/15/31/66/1029153166.db2.gz HYTNSKDVDYCUCM-UHFFFAOYSA-N -1 3 390.367 3.731 20 10 GHCDHM COC(=O)c1cccc2nc(NCc3cc(Cl)c4cccnc4c3[O-])ncc21 ZINC001157724400 1033740339 /nfs/dbraw/zinc/74/03/39/1033740339.db2.gz OEYNKIBGUCVYSL-UHFFFAOYSA-N -1 3 394.818 3.936 20 10 GHCDHM COC(=O)c1cc2c[nH]c(NCc3cc(Cl)c4cccnc4c3[O-])cc-2n1 ZINC001157726568 1033741744 /nfs/dbraw/zinc/74/17/44/1033741744.db2.gz RMZMDMVREJYMOA-UHFFFAOYSA-N -1 3 382.807 3.869 20 10 GHCDHM O=C(NCc1cc(Cl)cc(Br)c1)NCc1c([O-])cccc1F ZINC001230162506 1033925059 /nfs/dbraw/zinc/92/50/59/1033925059.db2.gz YAEYNQZDYHTDLA-UHFFFAOYSA-N -1 3 387.636 3.947 20 10 GHCDHM CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(Br)c(F)cc1[O-] ZINC001276517805 1034213686 /nfs/dbraw/zinc/21/36/86/1034213686.db2.gz IFEHLGSEXZUBNX-IUIKQTSFSA-N -1 3 399.304 3.658 20 10 GHCDHM COC(=O)c1ccc(OC2CCN(Cc3cccc(Cl)c3[O-])CC2)cc1 ZINC001231911942 1034986626 /nfs/dbraw/zinc/98/66/26/1034986626.db2.gz QKACULKLLRUOAR-UHFFFAOYSA-N -1 3 375.852 3.876 20 10 GHCDHM COc1cc([O-])c(CN2CCC[C@H]2C(=O)OCc2ccccc2)cc1Cl ZINC001232263939 1037984381 /nfs/dbraw/zinc/98/43/81/1037984381.db2.gz BRNZRVXEYUMNQJ-KRWDZBQOSA-N -1 3 375.852 3.762 20 10 GHCDHM COc1cc([O-])c(CN2CC3CC2(CNC(=O)OC(C)(C)C)C3)cc1Cl ZINC001232266568 1037988434 /nfs/dbraw/zinc/98/84/34/1037988434.db2.gz PDUDICYIRATHNZ-UHFFFAOYSA-N -1 3 382.888 3.543 20 10 GHCDHM COc1cc([O-])c(CN2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@H]2C)cc1Cl ZINC001232268079 1037989833 /nfs/dbraw/zinc/98/98/33/1037989833.db2.gz LTSUKINDXPFEEQ-CHWSQXEVSA-N -1 3 384.904 3.884 20 10 GHCDHM COc1cc([O-])c(CN2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1Cl ZINC001232269387 1037991792 /nfs/dbraw/zinc/99/17/92/1037991792.db2.gz YAIXACHVMRRYQS-UHFFFAOYSA-N -1 3 395.286 3.666 20 10 GHCDHM COC(=O)CCN(Cc1ccccc1)Cc1c([O-])cc(Br)cc1F ZINC001233029665 1038780152 /nfs/dbraw/zinc/78/01/52/1038780152.db2.gz GCXIURGXMUSYCD-UHFFFAOYSA-N -1 3 396.256 3.859 20 10 GHCDHM COc1cc([O-])c(CN2CCc3nc(Cl)ccc3C2)cc1Br ZINC001233140247 1038918906 /nfs/dbraw/zinc/91/89/06/1038918906.db2.gz AUTPAJKWZIYFGM-UHFFFAOYSA-N -1 3 383.673 3.770 20 10 GHCDHM [O-]c1ccc(F)c(F)c1CN1CCN(c2cccc(Br)c2)CC1 ZINC001233335424 1039138296 /nfs/dbraw/zinc/13/82/96/1039138296.db2.gz UTBXROHNMLYIDZ-UHFFFAOYSA-N -1 3 383.236 3.755 20 10 GHCDHM CCCCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(OC)c(Cl)c1[O-] ZINC001277834591 1039878286 /nfs/dbraw/zinc/87/82/86/1039878286.db2.gz RATKZTMVZJQNNK-HXUWFJFHSA-N -1 3 380.916 3.811 20 10 GHCDHM COc1ccc2ccc([O-])c(CN3CCn4cc(C(F)(F)F)nc4C3)c2c1 ZINC001234553029 1040122128 /nfs/dbraw/zinc/12/21/28/1040122128.db2.gz TWUXYYIKBCMYKR-UHFFFAOYSA-N -1 3 377.366 3.785 20 10 GHCDHM O=C([C@@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1)N1CCCCC1 ZINC001235065242 1040555945 /nfs/dbraw/zinc/55/59/45/1040555945.db2.gz NRWYDXSRVLLCOK-CYBMUJFWSA-N -1 3 399.304 3.518 20 10 GHCDHM O=C([C@@H]1CCCN(Cc2cc(F)cc(Br)c2[O-])C1)N1CCCCC1 ZINC001235301750 1040774513 /nfs/dbraw/zinc/77/45/13/1040774513.db2.gz IAFCKBUOBLUSBT-CYBMUJFWSA-N -1 3 399.304 3.518 20 10 GHCDHM CCOC(=O)C[C@@H]1CCN(Cc2cc(F)cc(Br)c2[O-])C[C@H]1C ZINC001235307103 1040781996 /nfs/dbraw/zinc/78/19/96/1040781996.db2.gz KWGYTFLZLPMWLN-NEPJUHHUSA-N -1 3 388.277 3.705 20 10 GHCDHM COC(=O)[C@H](Cc1ccccc1)N(C)Cc1cc(C)cc(Br)c1[O-] ZINC001236669598 1041817676 /nfs/dbraw/zinc/81/76/76/1041817676.db2.gz PDOXKYWVUXVNRK-KRWDZBQOSA-N -1 3 392.293 3.679 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@@H](Oc3ncncc3C)C2)c1 ZINC001236671819 1041819474 /nfs/dbraw/zinc/81/94/74/1041819474.db2.gz YYQSMPHRFTWXMT-OAHLLOKOSA-N -1 3 392.297 3.605 20 10 GHCDHM COc1cc([O-])c(CN2Cc3ncn(C)c3[C@H](COCC(C)C)C2)c(Cl)c1 ZINC001236795392 1041899810 /nfs/dbraw/zinc/89/98/10/1041899810.db2.gz KALZJTULSVYSAE-AWEZNQCLSA-N -1 3 393.915 3.560 20 10 GHCDHM O=C(NC1CCCC1)[C@@H]1CC12CCN(Cc1c([O-])ccc(F)c1Cl)CC2 ZINC001278022865 1041939964 /nfs/dbraw/zinc/93/99/64/1041939964.db2.gz BMYYBZYAZDQOTN-HNNXBMFYSA-N -1 3 380.891 3.846 20 10 GHCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001237077876 1042024618 /nfs/dbraw/zinc/02/46/18/1042024618.db2.gz LLKMMFCSONUFRA-DGCLKSJQSA-N -1 3 376.177 3.926 20 10 GHCDHM [O-]c1ccc(F)c(Cl)c1CN1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001237123016 1042050887 /nfs/dbraw/zinc/05/08/87/1042050887.db2.gz AXSGHBGRJAVZQR-MRVPVSSYSA-N -1 3 379.741 3.966 20 10 GHCDHM CC(C)N(C)Cc1cnc2n1CCN(Cc1cc(Cl)cc(F)c1[O-])[C@@H]2C ZINC001237618140 1042284702 /nfs/dbraw/zinc/28/47/02/1042284702.db2.gz FVKFIIRFEDBDSE-CYBMUJFWSA-N -1 3 380.895 3.798 20 10 GHCDHM Cc1cc([O-])c(CN2Cc3cnn(C4CCOCC4)c3C2)cc1Br ZINC001237683465 1042319470 /nfs/dbraw/zinc/31/94/70/1042319470.db2.gz AGOQPLOHGHSDHN-UHFFFAOYSA-N -1 3 392.297 3.527 20 10 GHCDHM [O-]c1c(I)cccc1CN1CCC[C@@H]1c1cccnc1 ZINC001237781391 1042366159 /nfs/dbraw/zinc/36/61/59/1042366159.db2.gz WBGHCOYMKWZDHV-OAHLLOKOSA-N -1 3 380.229 3.729 20 10 GHCDHM CCN1CCn2c(C)cnc2C12CCN(Cc1cc(F)cc(Cl)c1[O-])CC2 ZINC001237799363 1042376850 /nfs/dbraw/zinc/37/68/50/1042376850.db2.gz HJNUCLCIHKUUFS-UHFFFAOYSA-N -1 3 392.906 3.516 20 10 GHCDHM [O-]c1c(Cl)cc(F)cc1CN1CCN2C[C@@H](Oc3ccccc3)C[C@H]2C1 ZINC001237801515 1042377318 /nfs/dbraw/zinc/37/73/18/1042377318.db2.gz UQTSCTRSHOZWSN-WMZOPIPTSA-N -1 3 376.859 3.522 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cc(F)c(Cl)cc2[O-])C1)c1cccc(F)c1 ZINC001237941495 1042430738 /nfs/dbraw/zinc/43/07/38/1042430738.db2.gz XKNLJCDNTCXYIL-OAHLLOKOSA-N -1 3 380.822 3.718 20 10 GHCDHM [O-]c1cc(Cl)c(F)cc1CN1CC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001237941641 1042430930 /nfs/dbraw/zinc/43/09/30/1042430930.db2.gz ZXGNHGCLAJYGCV-JTQLQIEISA-N -1 3 391.752 3.647 20 10 GHCDHM C[C@@H]1CCN(c2nnc(-c3sc4ncccc4c3[O-])n2C[C@H]2CCOC2)[C@H]1C ZINC001263532198 1046926818 /nfs/dbraw/zinc/92/68/18/1046926818.db2.gz JVRXMMZVHXYTOE-HZSPNIEDSA-N -1 3 399.520 3.532 20 10 GHCDHM COc1ncc(Br)cc1CNCc1cc(Cl)c(F)cc1[O-] ZINC001308867664 1050130893 /nfs/dbraw/zinc/13/08/93/1050130893.db2.gz VBEZOEABNLTCMV-UHFFFAOYSA-N -1 3 375.625 3.641 20 10 GHCDHM C[C@@H](C1CC1)N(C)c1nnc(-c2sc3ncccc3c2[O-])n1C[C@@H]1CCOC1 ZINC001348910152 1063394515 /nfs/dbraw/zinc/39/45/15/1063394515.db2.gz HKCFNWKERBJRBQ-STQMWFEESA-N -1 3 399.520 3.532 20 10 GHCDHM CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(O)c1[O-] ZINC001465275892 1065519739 /nfs/dbraw/zinc/51/97/39/1065519739.db2.gz ZBLGKHCVIAGYGO-UHFFFAOYSA-N -1 3 387.823 3.854 20 10 GHCDHM O=C(NCCOCc1ccc(Cl)cc1Cl)NCc1c([O-])cccc1F ZINC001478341670 1078823045 /nfs/dbraw/zinc/82/30/45/1078823045.db2.gz LAWXRVHRJNDNKF-UHFFFAOYSA-N -1 3 387.238 3.854 20 10 GHCDHM O=C(Nc1nc2c(cc(F)cc2Br)s1)c1cccc(O)c1[O-] ZINC001472630107 1073585949 /nfs/dbraw/zinc/58/59/49/1073585949.db2.gz DXADTMJWLTWTAU-UHFFFAOYSA-N -1 3 383.198 3.861 20 10 GHCDHM Cc1cc(C(=O)N(C)C(C2CC2)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227019 598611411 /nfs/dbraw/zinc/61/14/11/598611411.db2.gz HCUAWNIKIDZXIC-UHFFFAOYSA-N -1 3 390.491 3.535 20 10 GHCDHM CCc1ccc(N2C(=O)C(=Cc3cc(-c4nnn[n-]4)cs3)SC2=S)cc1 ZINC000821486724 606336237 /nfs/dbraw/zinc/33/62/37/606336237.db2.gz KJXLILYHHSRWEP-RIYZIHGNSA-N -1 3 399.526 3.896 20 10 GHCDHM CCc1ccc(N2C(=O)C(=Cc3cc(-c4nn[n-]n4)cs3)SC2=S)cc1 ZINC000821486724 606336239 /nfs/dbraw/zinc/33/62/39/606336239.db2.gz KJXLILYHHSRWEP-RIYZIHGNSA-N -1 3 399.526 3.896 20 10 GHCDHM O=C1c2ccccc2N[C@H](c2cc(O)cc(Br)c2[O-])N1C1CC1 ZINC000124694853 841015745 /nfs/dbraw/zinc/01/57/45/841015745.db2.gz OHYLOERLKWOADV-INIZCTEOSA-N -1 3 375.222 3.589 20 10 GHCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@H]2c2ccccc2)c1 ZINC000094019667 843082195 /nfs/dbraw/zinc/08/21/95/843082195.db2.gz MSOMAQPNFVSDHJ-SFHVURJKSA-N -1 3 388.489 3.521 20 10 GHCDHM O=C(CNc1nccc2nc(-c3ccccc3Cl)[nH]c21)c1ccc([O-])c(O)c1 ZINC001170316572 881346898 /nfs/dbraw/zinc/34/68/98/881346898.db2.gz JQGUQMVYUNWYHP-UHFFFAOYSA-N -1 3 394.818 3.984 20 10 GHCDHM CCOC(=O)c1nnc([C@H](C)NCc2ccc(N(C)Cc3cccs3)cc2)[n-]1 ZINC000895241479 858887010 /nfs/dbraw/zinc/88/70/10/858887010.db2.gz LZBSNAVIYQLVAE-AWEZNQCLSA-N -1 3 399.520 3.530 20 10 GHCDHM O=S(=O)([N-]Cc1ccc(N2CCCC2)cc1)c1csc(-c2ccccc2)n1 ZINC000730573203 861177627 /nfs/dbraw/zinc/17/76/27/861177627.db2.gz ZIYJKWMXKSQVDK-UHFFFAOYSA-N -1 3 399.541 3.889 20 10 GHCDHM [O-]c1c(I)cccc1CN1CCC(OC2CCC2)CC1 ZINC001237777205 864278340 /nfs/dbraw/zinc/27/83/40/864278340.db2.gz NNGCTPUHYCUCJH-UHFFFAOYSA-N -1 3 387.261 3.530 20 10 GHCDHM [O-]c1c(Br)cc(Br)cc1CNCc1cccnc1F ZINC000793280608 882089054 /nfs/dbraw/zinc/08/90/54/882089054.db2.gz KEKWPKXEMHDWSE-UHFFFAOYSA-N -1 3 390.050 3.741 20 10 GHCDHM Cc1cccc(C)c1S(=O)(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001194654239 871855085 /nfs/dbraw/zinc/85/50/85/871855085.db2.gz GRVHFKMPKKHVRK-UHFFFAOYSA-N -1 3 376.865 3.689 20 10 GHCDHM O=C1c2ccccc2C(=O)c2c(NC(=S)NCc3ccccc3)ccc([O-])c21 ZINC001195631576 872521220 /nfs/dbraw/zinc/52/12/20/872521220.db2.gz RSLSDSWKXLWDJA-UHFFFAOYSA-N -1 3 388.448 3.654 20 10 GHCDHM COc1cc(C)c(S(=O)(=O)Nc2ccc([O-])c(Br)c2)c(C)c1 ZINC001196877626 873423366 /nfs/dbraw/zinc/42/33/66/873423366.db2.gz IZHINKLZCGPDLU-UHFFFAOYSA-N -1 3 386.267 3.581 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccc(F)cc1F ZINC000768911798 873679967 /nfs/dbraw/zinc/67/99/67/873679967.db2.gz IWOYCHPJJAYNQM-OAHLLOKOSA-N -1 3 380.822 3.718 20 10 GHCDHM CCCCCC(=O)NC1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000769223653 873902192 /nfs/dbraw/zinc/90/21/92/873902192.db2.gz PVXSMKJNNXZZPC-UHFFFAOYSA-N -1 3 383.330 3.816 20 10 GHCDHM C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000769425966 874046040 /nfs/dbraw/zinc/04/60/40/874046040.db2.gz RUSLLSYCXZABCP-RISCZKNCSA-N -1 3 399.875 3.689 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccc(N2CCCCC2)cn1 ZINC001197948846 874136832 /nfs/dbraw/zinc/13/68/32/874136832.db2.gz GNKAOYUJOCVKHU-UHFFFAOYSA-N -1 3 396.878 3.909 20 10 GHCDHM CC(C)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1Cl ZINC000769859743 874308172 /nfs/dbraw/zinc/30/81/72/874308172.db2.gz SXOQLCLWUSOVHE-QGZVFWFLSA-N -1 3 396.896 3.544 20 10 GHCDHM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769836244 874316525 /nfs/dbraw/zinc/31/65/25/874316525.db2.gz ZETFCEXEUFFXOW-LJQANCHMSA-N -1 3 390.505 3.541 20 10 GHCDHM COc1ccc(N2CCN(Cc3cccc(Br)c3[O-])CC2)cc1F ZINC000770305710 874587151 /nfs/dbraw/zinc/58/71/51/874587151.db2.gz JHQLTQSRZANLIU-UHFFFAOYSA-N -1 3 395.272 3.625 20 10 GHCDHM CC(C)c1nocc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000528861236 875165575 /nfs/dbraw/zinc/16/55/75/875165575.db2.gz JQUMHXGBBCMXCX-HNNXBMFYSA-N -1 3 377.872 3.551 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c1[O-] ZINC000772383015 875932391 /nfs/dbraw/zinc/93/23/91/875932391.db2.gz GNNIWJKVSQNIHW-OAHLLOKOSA-N -1 3 398.356 3.801 20 10 GHCDHM CC(C)(C)OC(=O)c1ccc(NC(=O)NCc2c([O-])cccc2F)c(F)c1 ZINC001202252990 876070011 /nfs/dbraw/zinc/07/00/11/876070011.db2.gz HMKDYRRIGSMMJN-UHFFFAOYSA-N -1 3 378.375 3.947 20 10 GHCDHM CC(=O)CC(C)(C)CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000788517594 878123635 /nfs/dbraw/zinc/12/36/35/878123635.db2.gz XVRJCGFGNYUZRF-KRWDZBQOSA-N -1 3 380.916 3.522 20 10 GHCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000776636575 878760300 /nfs/dbraw/zinc/76/03/00/878760300.db2.gz DQXZQZPKFUPNBZ-UHFFFAOYSA-N -1 3 385.414 3.535 20 10 GHCDHM COc1ccc(N2CCC(NC(=O)c3cc([O-])c4ccccc4c3)CC2)cc1 ZINC000792125043 880927182 /nfs/dbraw/zinc/92/71/82/880927182.db2.gz SCQQVQOPFZBCBE-UHFFFAOYSA-N -1 3 376.456 3.953 20 10 GHCDHM CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000175191835 883373928 /nfs/dbraw/zinc/37/39/28/883373928.db2.gz NLGDWJOBKXGODH-UHFFFAOYSA-N -1 3 397.244 3.731 20 10 GHCDHM COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)c2C)cc1 ZINC000745465650 884514148 /nfs/dbraw/zinc/51/41/48/884514148.db2.gz VKQFFUMGSRXOSN-UHFFFAOYSA-N -1 3 388.431 3.535 20 10 GHCDHM COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)c2C)cc1 ZINC000745465650 884514156 /nfs/dbraw/zinc/51/41/56/884514156.db2.gz VKQFFUMGSRXOSN-UHFFFAOYSA-N -1 3 388.431 3.535 20 10 GHCDHM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001299477726 912884795 /nfs/dbraw/zinc/88/47/95/912884795.db2.gz GLYBIEBGNAMYCY-CQSZACIVSA-N -1 3 397.906 3.917 20 10 GHCDHM COC(=O)CN(Cc1cncc(C(F)(F)F)c1)Cc1cc(Cl)ccc1[O-] ZINC000812829936 891014708 /nfs/dbraw/zinc/01/47/08/891014708.db2.gz SRUJUIXAIUDNAQ-UHFFFAOYSA-N -1 3 388.773 3.635 20 10 GHCDHM CC(=O)c1cc(F)cc(CN(C)[C@@H](CO)c2cccc(Br)c2)c1[O-] ZINC000125631766 892841189 /nfs/dbraw/zinc/84/11/89/892841189.db2.gz LGKODRJPSAGSEX-KRWDZBQOSA-N -1 3 396.256 3.662 20 10 GHCDHM COc1cnc([C@@H]2CCCN2Cc2ccc(N3CCCCC3)c(C)c2)[n-]c1=O ZINC000934278819 893520488 /nfs/dbraw/zinc/52/04/88/893520488.db2.gz IGOJFSSQCVRBJU-IBGZPJMESA-N -1 3 382.508 3.827 20 10 GHCDHM CC[C@@H](NCc1ncn(-c2ccccc2)n1)c1cc(Br)ccc1[O-] ZINC000815658055 894073387 /nfs/dbraw/zinc/07/33/87/894073387.db2.gz QYLUDPDKNFLPSO-MRXNPFEDSA-N -1 3 387.281 3.976 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC000824636998 899730704 /nfs/dbraw/zinc/73/07/04/899730704.db2.gz WBADRPZPISGMIF-QFBILLFUSA-N -1 3 394.284 3.763 20 10 GHCDHM CCN(Cc1nnc(C2CC2)n1C1CC1)Cc1cc(Br)ccc1[O-] ZINC000181404284 906992552 /nfs/dbraw/zinc/99/25/52/906992552.db2.gz YSNAMNNLNXDOFJ-UHFFFAOYSA-N -1 3 391.313 3.981 20 10 GHCDHM CCOC(=O)c1csc([C@H]2CCCN2Cc2cc(F)cc(C(C)=O)c2[O-])n1 ZINC000191440015 908624516 /nfs/dbraw/zinc/62/45/16/908624516.db2.gz ZSUMDWJVFAHRGK-MRXNPFEDSA-N -1 3 392.452 3.704 20 10 GHCDHM C[C@@H](Cc1ccc2c(c1)OCO2)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001182410153 911593925 /nfs/dbraw/zinc/59/39/25/911593925.db2.gz DFNQQTVOEMEYKS-LBPRGKRZSA-N -1 3 398.846 3.818 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1C[C@@H]1C(=O)c1ccccc1 ZINC001187225142 915134193 /nfs/dbraw/zinc/13/41/93/915134193.db2.gz HLTGOEYZAVMOKE-HOTGVXAUSA-N -1 3 380.831 3.729 20 10 GHCDHM CC(=O)Nc1sc(NC(=O)c2ccc(C)c(O)c2[O-])nc1-c1ccccc1 ZINC000775283051 916812442 /nfs/dbraw/zinc/81/24/42/916812442.db2.gz QHKXXZKDJRFUAB-UHFFFAOYSA-N -1 3 383.429 3.740 20 10 GHCDHM Cn1c(Br)ccc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001191613752 918099951 /nfs/dbraw/zinc/09/99/51/918099951.db2.gz XBJJSNZGTLLTKT-UHFFFAOYSA-N -1 3 394.656 3.625 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccc(Cl)nc1F ZINC001137437811 925787539 /nfs/dbraw/zinc/78/75/39/925787539.db2.gz DMHAXYQRGOYPRS-CYBMUJFWSA-N -1 3 398.265 3.628 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN(C)[C@@H]2CCN(c3ccccc3)C2=O)c1 ZINC000781913537 931025607 /nfs/dbraw/zinc/02/56/07/931025607.db2.gz QWVAGFIEXUXJNR-QGZVFWFLSA-N -1 3 389.293 3.700 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@]2(CC2(F)F)C1 ZINC001122036125 934805377 /nfs/dbraw/zinc/80/53/77/934805377.db2.gz OJLICGWHJVNSJT-KRWDZBQOSA-N -1 3 391.447 3.906 20 10 GHCDHM COc1ccc(O)c([C@H](C)N[C@@H](C(=O)[O-])c2ccccc2Br)c1 ZINC001599598224 993777383 /nfs/dbraw/zinc/77/73/83/993777383.db2.gz IRBZSKMSICEKHE-MGPLVRAMSA-N -1 3 380.238 3.640 20 10 GHCDHM COc1cccc(CNCc2ccccc2OCc2ccc(C(=O)[O-])cc2)c1O ZINC001599674545 994874392 /nfs/dbraw/zinc/87/43/92/994874392.db2.gz RWRJFKHVKUUGGY-UHFFFAOYSA-N -1 3 393.439 3.968 20 10 GHCDHM COc1cc(OC[C@@H]2CCC=CO2)c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O ZINC001227394680 1032403126 /nfs/dbraw/zinc/40/31/26/1032403126.db2.gz FHBFEJRKPBCNLV-ZDUSSCGKSA-N -1 3 380.396 3.556 20 10 GHCDHM CC(C)(C)C(=O)OC1CC(Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)C1 ZINC001227939656 1032704921 /nfs/dbraw/zinc/70/49/21/1032704921.db2.gz CUDFECXWXYHHDD-UHFFFAOYSA-N -1 3 384.428 3.828 20 10 GHCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1OC[C@H]1CC[C@]2(CCCCO2)O1 ZINC001227941581 1032706464 /nfs/dbraw/zinc/70/64/64/1032706464.db2.gz WLHQJQAHFAWAQC-ZHRRBRCNSA-N -1 3 384.428 3.783 20 10 GHCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1OC[C@@H]1CC[C@@]2(CCCCO2)O1 ZINC001227941575 1032706823 /nfs/dbraw/zinc/70/68/23/1032706823.db2.gz WLHQJQAHFAWAQC-KSFYIVLOSA-N -1 3 384.428 3.783 20 10 GHCDHM CCCCCCn1nc(C(=O)NCc2c([O-])cccc2F)c2ccccc2c1=O ZINC001156163967 1032908904 /nfs/dbraw/zinc/90/89/04/1032908904.db2.gz HREAIGPMYFHNDI-UHFFFAOYSA-N -1 3 397.450 3.752 20 10 GHCDHM Cn1ccnc1[C@@H](Cc1ccccc1)NCc1c([O-])cccc1Br ZINC001203024495 1021396415 /nfs/dbraw/zinc/39/64/15/1021396415.db2.gz BGYFABMJHVTCBJ-QGZVFWFLSA-N -1 3 386.293 3.962 20 10 GHCDHM C[C@@H](NCc1cccc2c1OCCO2)c1cc(Br)cc(F)c1[O-] ZINC000756704405 1023781569 /nfs/dbraw/zinc/78/15/69/1023781569.db2.gz NCLOLXKZEDEIGL-SNVBAGLBSA-N -1 3 382.229 3.916 20 10 GHCDHM COCc1csc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000830544311 1023978206 /nfs/dbraw/zinc/97/82/06/1023978206.db2.gz OOOXVOHMDWATFG-INIZCTEOSA-N -1 3 394.924 3.648 20 10 GHCDHM Cc1ccc2c(n1)N(Cc1ccncc1)CCN(Cc1cccc(F)c1[O-])C2 ZINC001138126515 1024171656 /nfs/dbraw/zinc/17/16/56/1024171656.db2.gz CGJFXSUHVKLAJK-UHFFFAOYSA-N -1 3 378.451 3.652 20 10 GHCDHM COCCN(Cc1cc(=O)[n-]c(-c2ccccc2)n1)c1ccc(OC)c(OC)c1 ZINC000838894074 1025424560 /nfs/dbraw/zinc/42/45/60/1025424560.db2.gz CPSJRILKQWDXDG-UHFFFAOYSA-N -1 3 395.459 3.519 20 10 GHCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC001139130132 1025943513 /nfs/dbraw/zinc/94/35/13/1025943513.db2.gz RGVFUHAAWYPPFF-MRXNPFEDSA-N -1 3 396.462 3.825 20 10 GHCDHM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])cccc2Br)CC12CC2 ZINC001140101262 1026880734 /nfs/dbraw/zinc/88/07/34/1026880734.db2.gz NOVIJAJRJDPCAP-UHFFFAOYSA-N -1 3 397.313 3.740 20 10 GHCDHM NC(=O)c1ccc(O[C@H]2CCCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)cc1 ZINC001203585309 1027452444 /nfs/dbraw/zinc/45/24/44/1027452444.db2.gz GOBLSJVTZAKZJS-INIZCTEOSA-N -1 3 395.286 3.841 20 10 GHCDHM CCn1ncc2c1CN(Cc1cc(Cl)ccc1[O-])C[C@H]2COc1cccnc1 ZINC001203656105 1027511990 /nfs/dbraw/zinc/51/19/90/1027511990.db2.gz HXGMOZPREJQJFP-INIZCTEOSA-N -1 3 398.894 3.835 20 10 GHCDHM CCn1ncc2c1CN(Cc1cc(Cl)ccc1[O-])C[C@H]2COCC1CC1 ZINC001203656359 1027512212 /nfs/dbraw/zinc/51/22/12/1027512212.db2.gz OKEAIQJEOCXKTO-INIZCTEOSA-N -1 3 375.900 3.788 20 10 GHCDHM COCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000840915269 1027952202 /nfs/dbraw/zinc/95/22/02/1027952202.db2.gz NQPKATQWKYGAOI-UHFFFAOYSA-N -1 3 377.462 3.661 20 10 GHCDHM COC(=O)c1ccc(OC2CCN(Cc3cc(F)c(F)cc3[O-])CC2)cc1 ZINC001142524593 1029030099 /nfs/dbraw/zinc/03/00/99/1029030099.db2.gz CJABUVLZKURRRP-UHFFFAOYSA-N -1 3 377.387 3.500 20 10 GHCDHM [O-]c1cc(F)c(F)cc1CN1CCN(c2cccc(Br)c2)CC1 ZINC001142524541 1029030209 /nfs/dbraw/zinc/03/02/09/1029030209.db2.gz AOOUMPICYGZQGP-UHFFFAOYSA-N -1 3 383.236 3.755 20 10 GHCDHM [O-]c1c(O)cccc1-c1nc(-c2ccc(OC3COC3)c(C(F)(F)F)c2)no1 ZINC001215145671 1029059188 /nfs/dbraw/zinc/05/91/88/1029059188.db2.gz BIAOYQZEHMRVGJ-UHFFFAOYSA-N -1 3 394.305 3.611 20 10 GHCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cc(F)cc(Br)c2F)no1 ZINC001215325285 1029153649 /nfs/dbraw/zinc/15/36/49/1029153649.db2.gz KBROKDFXIRPYNJ-UHFFFAOYSA-N -1 3 385.120 3.561 20 10 GHCDHM COC([O-])=NC(=S)N(c1ccc(N)c(C(F)(F)F)c1)c1ccccc1N ZINC001216054085 1029509618 /nfs/dbraw/zinc/50/96/18/1029509618.db2.gz FZYSGEBUCDMQCW-UHFFFAOYSA-N -1 3 384.383 3.649 20 10 GHCDHM COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)NCc1c([O-])cccc1F ZINC001216709569 1029900014 /nfs/dbraw/zinc/90/00/14/1029900014.db2.gz SRHOAQHFBUVPQZ-LLVKDONJSA-N -1 3 382.819 3.920 20 10 GHCDHM Cc1ccc(C)n1-c1ccc(-c2noc(-c3cccc(OCCO)c3[O-])n2)cc1 ZINC001216959454 1030033459 /nfs/dbraw/zinc/03/34/59/1030033459.db2.gz QMWVJCJDJXJYRF-UHFFFAOYSA-N -1 3 391.427 3.888 20 10 GHCDHM O=C1CC[C@@H]2[C@@H](CCN2Cc2cc(F)c(Cl)cc2[O-])N1CCC(F)(F)F ZINC001276967935 1030982166 /nfs/dbraw/zinc/98/21/66/1030982166.db2.gz VTOCMVMUMLEFBN-ZIAGYGMSSA-N -1 3 394.796 3.702 20 10 GHCDHM O=C(NC1CCCC1)[C@@H]1CC12CCN(Cc1cc(F)cc(Cl)c1[O-])CC2 ZINC001277506922 1034524249 /nfs/dbraw/zinc/52/42/49/1034524249.db2.gz MVOTUGAQDMMNDJ-INIZCTEOSA-N -1 3 380.891 3.846 20 10 GHCDHM O=C([O-])c1ccc(C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c([O-])c1 ZINC001231446475 1034593577 /nfs/dbraw/zinc/59/35/77/1034593577.db2.gz JMNRGDGXTCSGLL-UHFFFAOYSA-N -1 3 395.377 3.593 20 10 GHCDHM Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C3)c1 ZINC001231449502 1034594754 /nfs/dbraw/zinc/59/47/54/1034594754.db2.gz IMRNYXJQILNPJJ-OFNKIYASSA-N -1 3 396.487 3.613 20 10 GHCDHM Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C3)c1 ZINC001231449502 1034594766 /nfs/dbraw/zinc/59/47/66/1034594766.db2.gz IMRNYXJQILNPJJ-OFNKIYASSA-N -1 3 396.487 3.613 20 10 GHCDHM CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1Cc1ccc2ccccc2c1[O-] ZINC001231879145 1034962998 /nfs/dbraw/zinc/96/29/98/1034962998.db2.gz WWVLAUDXUGMEKQ-OAQYLSRUSA-N -1 3 392.503 3.558 20 10 GHCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001461977739 1069925824 /nfs/dbraw/zinc/92/58/24/1069925824.db2.gz VOAKVIMFMZQBGO-UHFFFAOYSA-N -1 3 392.839 3.746 20 10 GHCDHM CCOC(=O)c1ccc(CNCc2cc(Cl)cc(Br)c2[O-])o1 ZINC001462197612 1070074952 /nfs/dbraw/zinc/07/49/52/1070074952.db2.gz JKPPUKGHKKKSBA-UHFFFAOYSA-N -1 3 388.645 3.868 20 10 GHCDHM [O-]c1cc(O)c(CN2CCN(Cc3ccncc3)c3ncccc3C2)cc1Cl ZINC001232261930 1037982823 /nfs/dbraw/zinc/98/28/23/1037982823.db2.gz UUVYFEVMFGUCDE-UHFFFAOYSA-N -1 3 396.878 3.564 20 10 GHCDHM COc1cc([O-])c(CN2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)cc1Cl ZINC001232269576 1037994145 /nfs/dbraw/zinc/99/41/45/1037994145.db2.gz FJGAIDBHGQVFJW-UHFFFAOYSA-N -1 3 382.888 3.640 20 10 GHCDHM CCOC(=O)c1sc(-c2ccc([O-])c(CN3CC(OC(C)C)C3)c2)nc1C ZINC001232454915 1038238473 /nfs/dbraw/zinc/23/84/73/1038238473.db2.gz UNSHNWRCWSJEEG-UHFFFAOYSA-N -1 3 390.505 3.610 20 10 GHCDHM [O-]c1c(CN2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)ccc(F)c1F ZINC001233075970 1038838707 /nfs/dbraw/zinc/83/87/07/1038838707.db2.gz HDDNWHLMRKXFTH-APHBMKBZSA-N -1 3 378.444 3.966 20 10 GHCDHM COc1cc([O-])c(CN2CCOC[C@H]2Cc2ccccc2)cc1Br ZINC001233141034 1038919031 /nfs/dbraw/zinc/91/90/31/1038919031.db2.gz CUSSMENLUXQTLN-MRXNPFEDSA-N -1 3 392.293 3.607 20 10 GHCDHM O=C1CCC2(CCN(Cc3c([O-])ccc(F)c3F)CC2)N1Cc1ccccc1 ZINC001233334146 1039133814 /nfs/dbraw/zinc/13/38/14/1039133814.db2.gz VWQAZBCJIMNPFD-UHFFFAOYSA-N -1 3 386.442 3.828 20 10 GHCDHM CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CN2Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233416569 1039273138 /nfs/dbraw/zinc/27/31/38/1039273138.db2.gz NDULYLFMDPBMFB-ZFWWWQNUSA-N -1 3 386.414 3.852 20 10 GHCDHM CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCN2Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416795 1039274115 /nfs/dbraw/zinc/27/41/15/1039274115.db2.gz WYPVIIYGFWIQOW-LSDHHAIUSA-N -1 3 386.414 3.995 20 10 GHCDHM CCOC[C@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])Cc2cnn(CC)c21 ZINC001233416947 1039274966 /nfs/dbraw/zinc/27/49/66/1039274966.db2.gz CKSKDKVFFFAFKS-OAHLLOKOSA-N -1 3 383.414 3.763 20 10 GHCDHM [O-]c1c(CN2CCN(c3nccc4occc43)CC2)cccc1C(F)(F)F ZINC001233418521 1039280949 /nfs/dbraw/zinc/28/09/49/1039280949.db2.gz KKMFVVIBYPFTKJ-UHFFFAOYSA-N -1 3 377.366 3.874 20 10 GHCDHM [O-]c1cc(C(F)(F)F)ccc1CN1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001233453362 1039339124 /nfs/dbraw/zinc/33/91/24/1039339124.db2.gz DXXXDCVJRAMINL-OAHLLOKOSA-N -1 3 395.425 3.666 20 10 GHCDHM COc1c(O[C@H]2CC=C(OC)CC2)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234130518 1039870944 /nfs/dbraw/zinc/87/09/44/1039870944.db2.gz MBLWABCBEPVCPZ-AWEZNQCLSA-N -1 3 394.423 3.946 20 10 GHCDHM CC(C)(C)OC(=O)NC[C@H]1COCCN1Cc1cccc(-c2ccccc2)c1[O-] ZINC001234999656 1040494680 /nfs/dbraw/zinc/49/46/80/1040494680.db2.gz XRXFOKQRFYVKBG-IBGZPJMESA-N -1 3 398.503 3.785 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCOc2ccc(Br)cc21 ZINC001255331856 1040949059 /nfs/dbraw/zinc/94/90/59/1040949059.db2.gz XQVFZKHASNEZFE-CQSZACIVSA-N -1 3 395.228 3.617 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CC[C@](O)(C(F)(F)F)[C@H](C)C2)c1 ZINC001236663241 1041811001 /nfs/dbraw/zinc/81/10/01/1041811001.db2.gz KMNYLZCJUDDHCN-QMTHXVAHSA-N -1 3 382.220 3.598 20 10 GHCDHM Cn1cc([C@@H]2COC3(C2)CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC3)cn1 ZINC001236790760 1041896891 /nfs/dbraw/zinc/89/68/91/1041896891.db2.gz UDNZLFFFXFDZLJ-AWEZNQCLSA-N -1 3 396.318 3.971 20 10 GHCDHM CC(C)(C)NC(=O)CO[C@H]1CCCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236795278 1041900027 /nfs/dbraw/zinc/90/00/27/1041900027.db2.gz BNECPHMSDIGCDC-ZDUSSCGKSA-N -1 3 389.323 3.595 20 10 GHCDHM COc1cc([O-])c(CN2Cc3cc(OC)c(OC)cc3C2)c(Br)c1 ZINC001237068616 1042019377 /nfs/dbraw/zinc/01/93/77/1042019377.db2.gz TVDMNUDLFQDPAT-UHFFFAOYSA-N -1 3 394.265 3.696 20 10 GHCDHM [O-]c1ccc(Cl)c(Cl)c1CN1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001237079668 1042025846 /nfs/dbraw/zinc/02/58/46/1042025846.db2.gz NKJHGCRTHGANAJ-YXJHDRRASA-N -1 3 395.286 3.510 20 10 GHCDHM [O-]c1cc(Cl)c(F)cc1CN1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001237938247 1042428873 /nfs/dbraw/zinc/42/88/73/1042428873.db2.gz ZXXYQPINEBQNTO-MRVPVSSYSA-N -1 3 379.741 3.966 20 10 GHCDHM O=c1oc2ccccc2n1C1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237938002 1042429034 /nfs/dbraw/zinc/42/90/34/1042429034.db2.gz WFIYSYVBFJLPTR-UHFFFAOYSA-N -1 3 376.815 3.930 20 10 GHCDHM O=C1c2cccc(F)c2CN1[C@@H]1CCCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237941498 1042430750 /nfs/dbraw/zinc/43/07/50/1042430750.db2.gz XLCYJZLJRMSPFS-CYBMUJFWSA-N -1 3 392.833 3.944 20 10 GHCDHM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)ccc1O ZINC001259549608 1045229114 /nfs/dbraw/zinc/22/91/14/1045229114.db2.gz NUKLYQJDLUSHMW-UHFFFAOYSA-N -1 3 389.477 3.519 20 10 GHCDHM Cc1csc([C@H]2CCN(c3nnc(-c4sc5ncccc5c4[O-])n3C)C2)n1 ZINC001262926426 1046426305 /nfs/dbraw/zinc/42/63/05/1046426305.db2.gz DLZSVEOFQWVIKI-NSHDSACASA-N -1 3 398.517 3.556 20 10 GHCDHM O=C(Nc1cn[nH]c1)[C@H]1CC12CCN(Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC001279973209 1048021037 /nfs/dbraw/zinc/02/10/37/1048021037.db2.gz XDUHRAGXXNIWLR-CQSZACIVSA-N -1 3 395.290 3.663 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCOC[C@@H](C2CCC2)C1 ZINC001343558165 1053877747 /nfs/dbraw/zinc/87/77/47/1053877747.db2.gz RZLSZGJYXGBFDU-AWEZNQCLSA-N -1 3 399.520 3.533 20 10 GHCDHM O=C([N-]c1c2nonc2ccc1Cl)c1cc(Br)cnc1Cl ZINC001321389691 1056244191 /nfs/dbraw/zinc/24/41/91/1056244191.db2.gz YSLQWHDDYDDNKC-UHFFFAOYSA-N -1 3 388.008 3.939 20 10 GHCDHM Cc1cnc(OC2CCN(Cc3cc(C)cc(Br)c3[O-])CC2)nc1 ZINC000848925591 1057425795 /nfs/dbraw/zinc/42/57/95/1057425795.db2.gz XOLAIWIJDWFGKU-UHFFFAOYSA-N -1 3 392.297 3.605 20 10 GHCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC001340210297 1059765931 /nfs/dbraw/zinc/76/59/31/1059765931.db2.gz RHGHUAZUYJOLND-HIFRSBDPSA-N -1 3 399.520 3.583 20 10 GHCDHM COc1ccc(Br)c2sc(NC(=O)c3cccc(O)c3[O-])nc21 ZINC001453326176 1061109879 /nfs/dbraw/zinc/10/98/79/1061109879.db2.gz OIWKTCDNUIDGRZ-UHFFFAOYSA-N -1 3 395.234 3.731 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)c1cc(-c2cccc(Br)c2)no1 ZINC001456026620 1062415446 /nfs/dbraw/zinc/41/54/46/1062415446.db2.gz BIWMVPRWTDTQSX-UHFFFAOYSA-N -1 3 391.196 3.879 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC001456083189 1062471140 /nfs/dbraw/zinc/47/11/40/1062471140.db2.gz DXXKNGFOPKPTRQ-ZDUSSCGKSA-N -1 3 385.464 3.674 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC001456086667 1062474684 /nfs/dbraw/zinc/47/46/84/1062474684.db2.gz GIHNFHUVAIUQKD-UHFFFAOYSA-N -1 3 379.313 3.666 20 10 GHCDHM C[C@@H]1CN(c2ccc(NC(=O)NCc3c([O-])cccc3F)cc2F)C[C@@H](C)O1 ZINC001465258230 1065505687 /nfs/dbraw/zinc/50/56/87/1065505687.db2.gz RRYQDIMXZZBYCX-CHWSQXEVSA-N -1 3 391.418 3.606 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC001468789356 1067883498 /nfs/dbraw/zinc/88/34/98/1067883498.db2.gz DCTROIZITQWYST-ZDUSSCGKSA-N -1 3 397.372 3.628 20 10 GHCDHM O=[N+]([O-])c1cncc(Cl)c1N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC001472687134 1073619445 /nfs/dbraw/zinc/61/94/45/1073619445.db2.gz UEFJMSQEGNZWEB-ZDUSSCGKSA-N -1 3 397.262 3.501 20 10 GHCDHM COc1c([O-])c(CNCc2cc(-c3ccc(F)cc3F)on2)ccc1[N+](=O)[O-] ZINC001474693642 1074518561 /nfs/dbraw/zinc/51/85/61/1074518561.db2.gz OMIHXFKOQGJTNM-UHFFFAOYSA-N -1 3 391.330 3.532 20 10 GHCDHM Cc1cc(C=C2SC(=S)N(c3ccccc3-c3nnn[n-]3)C2=O)ccc1F ZINC000737263403 598288232 /nfs/dbraw/zinc/28/82/32/598288232.db2.gz UMSJUDIIIHFIDR-DHDCSXOGSA-N -1 3 397.460 3.720 20 10 GHCDHM Cc1cc(C=C2SC(=S)N(c3ccccc3-c3nn[n-]n3)C2=O)ccc1F ZINC000737263403 598288233 /nfs/dbraw/zinc/28/82/33/598288233.db2.gz UMSJUDIIIHFIDR-DHDCSXOGSA-N -1 3 397.460 3.720 20 10 GHCDHM Cc1cc(C(=O)N([C@@H](C)C2CC2)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737228316 598610558 /nfs/dbraw/zinc/61/05/58/598610558.db2.gz WICUUVWYSMDHEX-AWEZNQCLSA-N -1 3 390.491 3.677 20 10 GHCDHM Cc1ccc(Cl)c(NC(=S)NNc2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC000737342612 598646274 /nfs/dbraw/zinc/64/62/74/598646274.db2.gz IKODRQXYWYULNJ-UHFFFAOYSA-N -1 3 394.291 3.795 20 10 GHCDHM Clc1cc(NCc2ccc(N3CCSCC3)cc2)ccc1-c1nnn[n-]1 ZINC000737563037 598653291 /nfs/dbraw/zinc/65/32/91/598653291.db2.gz CWIJWUNIBYRWSD-UHFFFAOYSA-N -1 3 386.912 3.685 20 10 GHCDHM Clc1cc(NCc2ccc(N3CCSCC3)cc2)ccc1-c1nn[n-]n1 ZINC000737563037 598653292 /nfs/dbraw/zinc/65/32/92/598653292.db2.gz CWIJWUNIBYRWSD-UHFFFAOYSA-N -1 3 386.912 3.685 20 10 GHCDHM C[C@@H](C[N@H+](Cc1c([O-])ccc2cc(Br)ccc21)C1CC1)C(=O)[O-] ZINC000736585860 599935292 /nfs/dbraw/zinc/93/52/92/599935292.db2.gz XRNYVARNOSJIRG-NSHDSACASA-N -1 3 378.266 3.993 20 10 GHCDHM C[C@@H](C[N@@H+](Cc1c([O-])ccc2cc(Br)ccc21)C1CC1)C(=O)[O-] ZINC000736585860 599935293 /nfs/dbraw/zinc/93/52/93/599935293.db2.gz XRNYVARNOSJIRG-NSHDSACASA-N -1 3 378.266 3.993 20 10 GHCDHM CC(C)N1CCN(c2cccc(NC(=O)c3ccc(NC(=O)[O-])cc3)c2)CC1 ZINC000833499248 604470933 /nfs/dbraw/zinc/47/09/33/604470933.db2.gz MVWRLDJVVGTQKK-UHFFFAOYSA-N -1 3 382.464 3.559 20 10 GHCDHM Cc1ccc(N2C(=O)C(=Cc3cc(-c4nnn[n-]4)cs3)SC2=S)cc1 ZINC000822240912 606304289 /nfs/dbraw/zinc/30/42/89/606304289.db2.gz DLGUQXNHBQIOEV-NTUHNPAUSA-N -1 3 385.499 3.642 20 10 GHCDHM Cc1ccc(N2C(=O)C(=Cc3cc(-c4nn[n-]n4)cs3)SC2=S)cc1 ZINC000822240912 606304290 /nfs/dbraw/zinc/30/42/90/606304290.db2.gz DLGUQXNHBQIOEV-NTUHNPAUSA-N -1 3 385.499 3.642 20 10 GHCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC001167742001 840530456 /nfs/dbraw/zinc/53/04/56/840530456.db2.gz VWQNCTUZQIPVAE-ICSRJNTNSA-N -1 3 389.879 3.941 20 10 GHCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001167742000 840530869 /nfs/dbraw/zinc/53/08/69/840530869.db2.gz VWQNCTUZQIPVAE-AZUAARDMSA-N -1 3 389.879 3.941 20 10 GHCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@H](Nc2ncncc2Br)C1 ZINC000765499844 860011870 /nfs/dbraw/zinc/01/18/70/860011870.db2.gz CWTAUPRYBNHKKO-ZDUSSCGKSA-N -1 3 397.704 3.675 20 10 GHCDHM O=C(Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1cccc(O)c1[O-] ZINC000185672251 861160766 /nfs/dbraw/zinc/16/07/66/861160766.db2.gz YMQWKIHWPAYCGK-MHZLTWQESA-N -1 3 381.453 3.799 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)c1[O-] ZINC000792915425 881809147 /nfs/dbraw/zinc/80/91/47/881809147.db2.gz MENIXKPOYFNVTE-HOTGVXAUSA-N -1 3 398.450 3.513 20 10 GHCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000793369007 882133638 /nfs/dbraw/zinc/13/36/38/882133638.db2.gz FYPVGGYWVJZYLK-AWEZNQCLSA-N -1 3 390.745 3.796 20 10 GHCDHM CCN(Cc1cnn(-c2ccccc2)n1)Cc1cc(Br)ccc1[O-] ZINC000743870823 868469563 /nfs/dbraw/zinc/46/95/63/868469563.db2.gz CEWZVPQKUYAEAI-UHFFFAOYSA-N -1 3 387.281 3.758 20 10 GHCDHM CC[C@@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1cc(Cl)ccc1O ZINC000775544416 870626584 /nfs/dbraw/zinc/62/65/84/870626584.db2.gz QPXISSHHYDRZMU-CQSZACIVSA-N -1 3 384.885 3.989 20 10 GHCDHM O=C(OCCF)N1CCc2c(Cl)c([O-])c(O)cc2[C@H](c2ccc(O)cc2)C1 ZINC001194957546 872053476 /nfs/dbraw/zinc/05/34/76/872053476.db2.gz AEKWYORERBJDHK-HNNXBMFYSA-N -1 3 395.814 3.553 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCC([C@@](C)(O)C(F)(F)F)CC2)c1[O-] ZINC000767910175 872955857 /nfs/dbraw/zinc/95/58/57/872955857.db2.gz RHWPDRFUBIDGKH-MRXNPFEDSA-N -1 3 379.806 3.774 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cccc(N2CCCC2)n1 ZINC001196673031 873303187 /nfs/dbraw/zinc/30/31/87/873303187.db2.gz SHUJUCSGENLDNF-UHFFFAOYSA-N -1 3 382.851 3.519 20 10 GHCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccc(F)cc1F ZINC000768911795 873680053 /nfs/dbraw/zinc/68/00/53/873680053.db2.gz IWOYCHPJJAYNQM-HNNXBMFYSA-N -1 3 380.822 3.718 20 10 GHCDHM CN(CC(=O)Nc1cc(F)cc(F)c1)Cc1cc(Br)ccc1[O-] ZINC000769318809 873963800 /nfs/dbraw/zinc/96/38/00/873963800.db2.gz NEOGJKZBLARXCH-UHFFFAOYSA-N -1 3 385.208 3.503 20 10 GHCDHM COC(=O)CN(Cc1cnc2ccc(Cl)cn12)Cc1cc(Cl)ccc1[O-] ZINC000769382254 874010438 /nfs/dbraw/zinc/01/04/38/874010438.db2.gz WTJLZBNGMIZOGM-UHFFFAOYSA-N -1 3 394.258 3.522 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cccnc1OC(F)(F)F ZINC001199375444 874954627 /nfs/dbraw/zinc/95/46/27/874954627.db2.gz RBUJTOIAEPWRHS-UHFFFAOYSA-N -1 3 397.740 3.817 20 10 GHCDHM CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000772178826 875734561 /nfs/dbraw/zinc/73/45/61/875734561.db2.gz PZJJOUWIQBZDHU-MRXNPFEDSA-N -1 3 377.784 3.549 20 10 GHCDHM C[C@@H](NCc1cc(Br)ccc1[O-])c1noc(Cc2ccccc2)n1 ZINC000776232853 875979886 /nfs/dbraw/zinc/97/98/86/875979886.db2.gz XXILJNSMNGWJEE-GFCCVEGCSA-N -1 3 388.265 3.979 20 10 GHCDHM CN(C)C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000858287059 883002622 /nfs/dbraw/zinc/00/26/22/883002622.db2.gz LAZSFFRHENQYHI-INIZCTEOSA-N -1 3 384.263 4.000 20 10 GHCDHM CCCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H](C)c1ccccc1 ZINC000179485185 877638808 /nfs/dbraw/zinc/63/88/08/877638808.db2.gz UXTGTTAUIOBMRR-OAHLLOKOSA-N -1 3 390.505 3.767 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)c1[O-] ZINC000787996242 877765270 /nfs/dbraw/zinc/76/52/70/877765270.db2.gz VVTNWGJKPMAVRU-NRFANRHFSA-N -1 3 392.471 3.709 20 10 GHCDHM CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1cccc(O)c1[O-] ZINC000790940774 880117005 /nfs/dbraw/zinc/11/70/05/880117005.db2.gz OLXHXBSGKYDRPV-ZDUSSCGKSA-N -1 3 378.266 3.954 20 10 GHCDHM C[C@@H](N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858520045 883169384 /nfs/dbraw/zinc/16/93/84/883169384.db2.gz OZDCJZYNVWEANJ-BMIGLBTASA-N -1 3 393.802 3.549 20 10 GHCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@H](c1ccco1)N1CCCC1 ZINC000804858783 883438934 /nfs/dbraw/zinc/43/89/34/883438934.db2.gz HMYMRZHFFBJTAO-OAHLLOKOSA-N -1 3 398.290 3.928 20 10 GHCDHM C[C@@H]1CN(Cc2cccc(Br)c2[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000862485331 886406740 /nfs/dbraw/zinc/40/67/40/886406740.db2.gz KSCWDTBLVVDZFC-TZMCWYRMSA-N -1 3 384.314 3.954 20 10 GHCDHM C[C@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1cc(Cl)ccc1[O-] ZINC000794827706 888243031 /nfs/dbraw/zinc/24/30/31/888243031.db2.gz HQMOAMNUSNJLDT-BJOHPYRUSA-N -1 3 383.673 3.685 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(NC(=O)c3ccccc3)cn2)c1 ZINC000794833577 888281162 /nfs/dbraw/zinc/28/11/62/888281162.db2.gz GBDGXNUZHSBQDP-AWEZNQCLSA-N -1 3 391.427 3.999 20 10 GHCDHM CCO[C@@H](C)c1nc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])cs1 ZINC000120771139 888613026 /nfs/dbraw/zinc/61/30/26/888613026.db2.gz WVKWWXMEXXWMRW-LBPRGKRZSA-N -1 3 398.912 3.775 20 10 GHCDHM CC(C)NC(=O)N1CCc2c(Cl)c([O-])c(O)cc2[C@@H](c2ccc(O)cc2)C1 ZINC001202525768 889429427 /nfs/dbraw/zinc/42/94/27/889429427.db2.gz NJTVRYDMFVULHS-MRXNPFEDSA-N -1 3 390.867 3.565 20 10 GHCDHM [O-]c1ccc(Cl)c(F)c1CN[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000813792129 891981910 /nfs/dbraw/zinc/98/19/10/891981910.db2.gz JRLPMKZWUJUPRM-ZDUSSCGKSA-N -1 3 392.627 3.910 20 10 GHCDHM [O-]c1c(CNc2ccc(Br)c[n+]2[O-])cc(Cl)c2cccnc12 ZINC001168523819 893781243 /nfs/dbraw/zinc/78/12/43/893781243.db2.gz STJYKZLTQFYBNC-UHFFFAOYSA-N -1 3 380.629 3.602 20 10 GHCDHM CCCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H](C)C(=O)Nc1ccccc1 ZINC000774869286 913843756 /nfs/dbraw/zinc/84/37/56/913843756.db2.gz JWQLQCJLSVKLJQ-CQSZACIVSA-N -1 3 387.436 3.548 20 10 GHCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC(n2cc(Br)cn2)CC1 ZINC000816508986 894887190 /nfs/dbraw/zinc/88/71/90/894887190.db2.gz ALSNIGPFSRIYKB-UHFFFAOYSA-N -1 3 388.668 3.981 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1Cc1ccccc1Br ZINC000817625264 895765876 /nfs/dbraw/zinc/76/58/76/895765876.db2.gz LBOLEHSJRCSBAK-CYBMUJFWSA-N -1 3 376.250 3.708 20 10 GHCDHM C[C@H](NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1c([O-])cccc1F ZINC000886612274 901191025 /nfs/dbraw/zinc/19/10/25/901191025.db2.gz HPURXPNQIOGJEI-AWEZNQCLSA-N -1 3 397.450 3.751 20 10 GHCDHM CCc1noc([C@H]2CCCN(Cc3cc(Br)c(F)cc3[O-])C2)n1 ZINC001144306951 901687573 /nfs/dbraw/zinc/68/75/73/901687573.db2.gz XVKINKWZLAVWBL-JTQLQIEISA-N -1 3 384.249 3.619 20 10 GHCDHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)ccc1C ZINC000123879973 901991912 /nfs/dbraw/zinc/99/19/12/901991912.db2.gz UEUFTXJICWENDC-UHFFFAOYSA-N -1 3 376.478 3.892 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H](O)c1cccc(Cl)c1 ZINC001144825562 902990063 /nfs/dbraw/zinc/99/00/63/902990063.db2.gz DPCFCWBSHAIEOM-QGZVFWFLSA-N -1 3 377.227 3.597 20 10 GHCDHM O=c1ncc(NCc2cc3ccccc3cc2[O-])cn1Cc1ccc(F)cc1 ZINC001171407135 904522309 /nfs/dbraw/zinc/52/23/09/904522309.db2.gz LHYZJQHZQOOLHB-UHFFFAOYSA-N -1 3 375.403 3.902 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2ccc(Br)cc2[O-])C1)c1ccccc1 ZINC001180092568 909913207 /nfs/dbraw/zinc/91/32/07/909913207.db2.gz MHNPULBKUXQSEJ-QGZVFWFLSA-N -1 3 389.293 3.549 20 10 GHCDHM CC(C)(OC(=O)c1ccccc1)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001182722643 911966660 /nfs/dbraw/zinc/96/66/60/911966660.db2.gz MSKDKKSXJPVSCX-UHFFFAOYSA-N -1 3 398.846 3.846 20 10 GHCDHM CC[C@@H]([NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000903399192 922989372 /nfs/dbraw/zinc/98/93/72/922989372.db2.gz VVSRFIBMQQXILW-ZWNOBZJWSA-N -1 3 383.279 3.514 20 10 GHCDHM O=C(CNCc1cc(Cl)cc(Cl)c1[O-])Nc1cccc2cccnc21 ZINC000725850348 926467146 /nfs/dbraw/zinc/46/71/46/926467146.db2.gz ACGZPULBWYFLAP-UHFFFAOYSA-N -1 3 376.243 3.976 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCC(CNC(=O)OC(C)(C)C)CC2)c1[O-] ZINC000750043409 927402318 /nfs/dbraw/zinc/40/23/18/927402318.db2.gz BBQPGBFYOPQVLO-UHFFFAOYSA-N -1 3 396.915 3.985 20 10 GHCDHM Cc1sc2[n-]c([C@H](C)OC(=O)C=Cc3ccc(O)c(O)c3)nc(=O)c2c1C ZINC000759588305 930414909 /nfs/dbraw/zinc/41/49/09/930414909.db2.gz KJMJVGGGJNGYEB-BXKUYDPTSA-N -1 3 386.429 3.743 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000781897095 931016123 /nfs/dbraw/zinc/01/61/23/931016123.db2.gz OEIDUQLWPOQEJD-CQSZACIVSA-N -1 3 399.329 3.952 20 10 GHCDHM COc1ccc(N(C)CCN(C)Cc2ccc(C(=O)[O-])cc2C(F)(F)F)cc1 ZINC001599583876 993586611 /nfs/dbraw/zinc/58/66/11/993586611.db2.gz HKYXHJJRBQUCOW-UHFFFAOYSA-N -1 3 396.409 3.980 20 10 GHCDHM COc1cc(OC[C@H]2CCC=CO2)c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O ZINC001227394679 1032402982 /nfs/dbraw/zinc/40/29/82/1032402982.db2.gz FHBFEJRKPBCNLV-CYBMUJFWSA-N -1 3 380.396 3.556 20 10 GHCDHM COC(=O)C[C@@H]1CCC[C@@H](Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)C1 ZINC001227940961 1032707293 /nfs/dbraw/zinc/70/72/93/1032707293.db2.gz PSFBFRMWOULVFU-GDBMZVCRSA-N -1 3 384.428 3.830 20 10 GHCDHM Cc1cc([O-])c(CN2CCN(Cc3ccc(Cl)cc3)C(=O)C2)c(Cl)c1 ZINC001204307963 1032751738 /nfs/dbraw/zinc/75/17/38/1032751738.db2.gz QMGPTZRPTUFCEP-UHFFFAOYSA-N -1 3 379.287 3.852 20 10 GHCDHM CC(C)(C)OC(=O)N1C[C@H](C(=O)NCc2c([O-])cccc2F)c2ccccc21 ZINC001156177429 1032914822 /nfs/dbraw/zinc/91/48/22/1032914822.db2.gz FQWGAOXESXXULM-HNNXBMFYSA-N -1 3 386.423 3.686 20 10 GHCDHM [O-]c1cccc(Cl)c1CN1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001140339835 1021447284 /nfs/dbraw/zinc/44/72/84/1021447284.db2.gz ZVEMKXRSVLHNLM-HRAATJIYSA-N -1 3 388.895 3.891 20 10 GHCDHM O=C(c1cccs1)N1CCC[C@@]2(CCN(Cc3c([O-])cc(F)cc3F)C2)C1 ZINC001140580666 1022000294 /nfs/dbraw/zinc/00/02/94/1022000294.db2.gz CJSNTVBQLXUXKF-FQEVSTJZSA-N -1 3 392.471 3.860 20 10 GHCDHM CC(C)(C)OC(=O)NC(=S)C1CCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140584165 1022007043 /nfs/dbraw/zinc/00/70/43/1022007043.db2.gz GRJPSBRNBRKOGF-UHFFFAOYSA-N -1 3 386.464 3.735 20 10 GHCDHM C[C@@H](N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756865635 1023839274 /nfs/dbraw/zinc/83/92/74/1023839274.db2.gz TUVLJFRJLURCBH-QLJPJBMISA-N -1 3 393.802 3.549 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cccc2c1OCCCO2 ZINC001156717449 1033202681 /nfs/dbraw/zinc/20/26/81/1033202681.db2.gz GGCPHNVENISZHL-UHFFFAOYSA-N -1 3 384.819 3.685 20 10 GHCDHM COc1ccccc1N1CCN(Cc2cc(C)cc(Br)c2[O-])CC1 ZINC001205045859 1033224296 /nfs/dbraw/zinc/22/42/96/1033224296.db2.gz FQLBKJISIHDFHK-UHFFFAOYSA-N -1 3 391.309 3.794 20 10 GHCDHM O=C1CN(Cc2c([O-])cccc2Br)CCN1c1ccccc1Cl ZINC001140102652 1026882518 /nfs/dbraw/zinc/88/25/18/1026882518.db2.gz VKIDEALTNDCBSR-UHFFFAOYSA-N -1 3 395.684 3.657 20 10 GHCDHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1CN2Cc1cc(Br)ccc1[O-] ZINC001203650596 1027506540 /nfs/dbraw/zinc/50/65/40/1027506540.db2.gz XJHZCULHTZXQEP-GJZGRUSLSA-N -1 3 397.313 3.738 20 10 GHCDHM [O-]c1c(O)cccc1-c1nc(-c2cc(I)ccc2F)no1 ZINC001215145914 1029059466 /nfs/dbraw/zinc/05/94/66/1029059466.db2.gz QUQZEKUBUCQYJE-UHFFFAOYSA-N -1 3 398.131 3.559 20 10 GHCDHM [O-]c1c(O)cc(-c2nc(-c3ccc(Br)cc3Cl)no2)cc1O ZINC001215327629 1029154368 /nfs/dbraw/zinc/15/43/68/1029154368.db2.gz LLJKZIBBSOJBMM-UHFFFAOYSA-N -1 3 383.585 3.936 20 10 GHCDHM Cc1cc(O[C@@H]2CCCC3(C2)OCCO3)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229542260 1033549935 /nfs/dbraw/zinc/54/99/35/1033549935.db2.gz KSJVJPHJBXVFFA-CQSZACIVSA-N -1 3 394.423 3.541 20 10 GHCDHM O=C([O-])c1ccc(CN2CCN(c3cc(Cl)cc(Cl)c3)CC2)c(O)c1 ZINC001231452125 1034596342 /nfs/dbraw/zinc/59/63/42/1034596342.db2.gz ARKMRMSHAIDZSR-UHFFFAOYSA-N -1 3 381.259 3.719 20 10 GHCDHM CC(C)(C)c1ccc(CN2CCN(Cc3ccc(C(=O)[O-])cc3O)CC2)cc1 ZINC001231452398 1034596819 /nfs/dbraw/zinc/59/68/19/1034596819.db2.gz OKSJVPJIRJSKJS-UHFFFAOYSA-N -1 3 382.504 3.706 20 10 GHCDHM CC(C)(C)OC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])CC2 ZINC001231454176 1034598493 /nfs/dbraw/zinc/59/84/93/1034598493.db2.gz OROYXUPWMLLNNV-UHFFFAOYSA-N -1 3 398.459 3.996 20 10 GHCDHM CC(C)(C)OC(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])CC2 ZINC001231454176 1034598501 /nfs/dbraw/zinc/59/85/01/1034598501.db2.gz OROYXUPWMLLNNV-UHFFFAOYSA-N -1 3 398.459 3.996 20 10 GHCDHM Cc1cc([O-])c(CN2CCc3c(CN(C)C)nn(C(C)C)c3C2)cc1Cl ZINC001231868380 1034955177 /nfs/dbraw/zinc/95/51/77/1034955177.db2.gz UQLCNTJSNRPNOC-UHFFFAOYSA-N -1 3 376.932 3.751 20 10 GHCDHM Cc1nc(CO[C@@H]2CN(Cc3cccc(Cl)c3[O-])[C@@H]3CCCO[C@H]23)cs1 ZINC001231910639 1034984258 /nfs/dbraw/zinc/98/42/58/1034984258.db2.gz SWKVAIDMQOIRDU-LMMKCTJWSA-N -1 3 394.924 3.759 20 10 GHCDHM [O-]c1c(O)cc2c(c1Cl)CCN(Cc1ccon1)C[C@@H]2c1ccc(O)cc1 ZINC001209565866 1035314004 /nfs/dbraw/zinc/31/40/04/1035314004.db2.gz AVGKMIQRBQPCLH-QGZVFWFLSA-N -1 3 386.835 3.635 20 10 GHCDHM COc1cc([O-])c(CN2CCN(c3nccc4ccccc43)CC2)cc1Cl ZINC001232269552 1037992204 /nfs/dbraw/zinc/99/22/04/1037992204.db2.gz DISFFHQHBJAOML-UHFFFAOYSA-N -1 3 383.879 3.925 20 10 GHCDHM COc1cc([O-])c(CN2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)cc1Cl ZINC001232270901 1037995997 /nfs/dbraw/zinc/99/59/97/1037995997.db2.gz MHAGOOYTUCOHQD-MRXNPFEDSA-N -1 3 392.858 3.588 20 10 GHCDHM CCOC(=O)c1sc(-c2ccc([O-])c(CN3CCn4cccc4C3)c2)nc1C ZINC001232452151 1038237193 /nfs/dbraw/zinc/23/71/93/1038237193.db2.gz NMTBHLNLAOZRHH-UHFFFAOYSA-N -1 3 397.500 3.818 20 10 GHCDHM [O-]c1cc(I)ccc1CN1CCCC(F)(F)[C@@H](F)C1 ZINC001232974054 1038746554 /nfs/dbraw/zinc/74/65/54/1038746554.db2.gz HIJKCXIPLJQVNA-LBPRGKRZSA-N -1 3 385.167 3.566 20 10 GHCDHM [O-]c1cc(Br)cc(F)c1CN1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001233034012 1038787133 /nfs/dbraw/zinc/78/71/33/1038787133.db2.gz ZIGUQLQQYSDXCC-ZIAGYGMSSA-N -1 3 391.284 3.862 20 10 GHCDHM O=c1c2cc(O)c([O-])cc2oc2cc([O-])cc(O[C@H]3CCc4ccccc4C3)c12 ZINC001234749368 1040274517 /nfs/dbraw/zinc/27/45/17/1040274517.db2.gz RPINJVKQBUHKDR-HNNXBMFYSA-N -1 3 390.391 3.999 20 10 GHCDHM O=c1c2cc(O)c(O)cc2oc2cc([O-])cc(O[C@H]3CCc4ccccc4C3)c12 ZINC001234749368 1040274541 /nfs/dbraw/zinc/27/45/41/1040274541.db2.gz RPINJVKQBUHKDR-HNNXBMFYSA-N -1 3 390.391 3.999 20 10 GHCDHM CC1(C)CC(=O)CC[C@H]1Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234748627 1040274936 /nfs/dbraw/zinc/27/49/36/1040274936.db2.gz LXDNQQIBFYALMC-GOSISDBHSA-N -1 3 384.384 3.590 20 10 GHCDHM CCCC(=O)[C@@H](CCC)Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12 ZINC001234748877 1040275105 /nfs/dbraw/zinc/27/51/05/1040275105.db2.gz MUNGUGXXLKJLEW-MRXNPFEDSA-N -1 3 386.400 3.980 20 10 GHCDHM CCCC(=O)[C@@H](CCC)Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234748877 1040275124 /nfs/dbraw/zinc/27/51/24/1040275124.db2.gz MUNGUGXXLKJLEW-MRXNPFEDSA-N -1 3 386.400 3.980 20 10 GHCDHM O=C([C@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1)N1CCCCC1 ZINC001235065244 1040554105 /nfs/dbraw/zinc/55/41/05/1040554105.db2.gz NRWYDXSRVLLCOK-ZDUSSCGKSA-N -1 3 399.304 3.518 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CC[C@H](OC(=O)OC(C)(C)C)C2)c1 ZINC001236664001 1041811936 /nfs/dbraw/zinc/81/19/36/1041811936.db2.gz RIHIOVNNGHPMDM-ZDUSSCGKSA-N -1 3 386.286 3.989 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCN(c3cc(Cl)ccn3)CC2)c1 ZINC001236665302 1041811967 /nfs/dbraw/zinc/81/19/67/1041811967.db2.gz IPUXYZHGYVPZNG-UHFFFAOYSA-N -1 3 396.716 3.834 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC001236668496 1041815067 /nfs/dbraw/zinc/81/50/67/1041815067.db2.gz BNYXXZPLAMPRRD-OCCSQVGLSA-N -1 3 399.329 3.951 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2C[C@H]3[C@H](CN3C(=O)OC(C)(C)C)C2)c1 ZINC001236669388 1041817022 /nfs/dbraw/zinc/81/70/22/1041817022.db2.gz IRCPCPDJQXWTBZ-ZFWWWQNUSA-N -1 3 397.313 3.514 20 10 GHCDHM CN(C)C(=O)N1CCCC12CCN(Cc1cc(Cl)c(Cl)cc1[O-])CC2 ZINC001236792015 1041897027 /nfs/dbraw/zinc/89/70/27/1041897027.db2.gz DTMBPDCTSGGUSO-UHFFFAOYSA-N -1 3 386.323 3.811 20 10 GHCDHM COc1ccc(CN2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c([O-])c1Cl ZINC001236809775 1041910657 /nfs/dbraw/zinc/91/06/57/1041910657.db2.gz OGHPMFVVTKYKNR-JSGCOSHPSA-N -1 3 384.904 3.932 20 10 GHCDHM O=C1N(CC2CCCC2)CC[C@]12CCCN2Cc1c([O-])ccc(F)c1Cl ZINC001278025039 1041946194 /nfs/dbraw/zinc/94/61/94/1041946194.db2.gz LLCYPMOFWGENDC-HXUWFJFHSA-N -1 3 380.891 3.942 20 10 GHCDHM COc1ccc(CN(C)Cc2c([O-])cc(OC)cc2Br)c(OC)c1 ZINC001237066784 1042018461 /nfs/dbraw/zinc/01/84/61/1042018461.db2.gz BDEJEZIOCUDPEO-UHFFFAOYSA-N -1 3 396.281 3.813 20 10 GHCDHM O=C1OC2(CCN(Cc3c([O-])ccc(Cl)c3Cl)CC2)c2cccnc21 ZINC001237083363 1042029110 /nfs/dbraw/zinc/02/91/10/1042029110.db2.gz CIEFVPLNHPDBRK-UHFFFAOYSA-N -1 3 379.243 3.756 20 10 GHCDHM O=C(c1cccc(F)c1)N1CC[C@H]2CN(Cc3c([O-])ccc(F)c3Cl)C[C@H]21 ZINC001237124999 1042053480 /nfs/dbraw/zinc/05/34/80/1042053480.db2.gz QIXCYTMLUSBXNA-SUMWQHHRSA-N -1 3 392.833 3.670 20 10 GHCDHM COc1ccccc1C(=O)NC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237623491 1042289738 /nfs/dbraw/zinc/28/97/38/1042289738.db2.gz OHAAKNRMRFXTLJ-UHFFFAOYSA-N -1 3 392.858 3.588 20 10 GHCDHM Cc1nc([C@@H]2COCCN2Cc2cc(Br)c(C)cc2[O-])cs1 ZINC001237679095 1042320629 /nfs/dbraw/zinc/32/06/29/1042320629.db2.gz FCKNVOGGMIDJDV-HNNXBMFYSA-N -1 3 383.311 3.802 20 10 GHCDHM Cc1cc([O-])c(CN2CC[C@@H](N3CCCC3)C(F)(F)C2)cc1Br ZINC001237685072 1042325982 /nfs/dbraw/zinc/32/59/82/1042325982.db2.gz NEBLBXYPHQZNOC-MRXNPFEDSA-N -1 3 389.284 3.769 20 10 GHCDHM O=S(=O)([N-]c1ccc([C@H]2CC[NH2+]C2)cc1)c1cc(Cl)cc(Cl)c1[O-] ZINC001237717555 1042340367 /nfs/dbraw/zinc/34/03/67/1042340367.db2.gz BMYDZZRPSQNBEZ-NSHDSACASA-N -1 3 387.288 3.577 20 10 GHCDHM CC[N@H+](Cc1ccccc1[O-])Cc1cccc(I)c1[O-] ZINC001237784692 1042368233 /nfs/dbraw/zinc/36/82/33/1042368233.db2.gz WXXMDYXVNHQTRB-UHFFFAOYSA-N -1 3 383.229 3.725 20 10 GHCDHM CC[N@@H+](Cc1ccccc1[O-])Cc1cccc(I)c1[O-] ZINC001237784692 1042368236 /nfs/dbraw/zinc/36/82/36/1042368236.db2.gz WXXMDYXVNHQTRB-UHFFFAOYSA-N -1 3 383.229 3.725 20 10 GHCDHM [O-]c1c(I)cccc1CN1CC[C@H](F)C(F)(F)CC1 ZINC001237786173 1042369486 /nfs/dbraw/zinc/36/94/86/1042369486.db2.gz MNPZNLYBQANRKT-NSHDSACASA-N -1 3 385.167 3.566 20 10 GHCDHM CN(Cc1cccc(I)c1[O-])Cc1cccc(F)c1F ZINC001237788982 1042370333 /nfs/dbraw/zinc/37/03/33/1042370333.db2.gz QLMUWMXKDMQJOP-UHFFFAOYSA-N -1 3 389.183 3.907 20 10 GHCDHM CC(C)(C)OC(=O)N1C[C@H]2CCN(Cc3cc(F)cc(Cl)c3[O-])C[C@H]2C1 ZINC001237798795 1042375667 /nfs/dbraw/zinc/37/56/67/1042375667.db2.gz CMOWDOYNASYPNS-OCCSQVGLSA-N -1 3 384.879 3.874 20 10 GHCDHM [O-]c1c(Cl)cc(F)cc1CN1CCC2(C[C@H](c3cncnc3)CO2)CC1 ZINC001237800188 1042376335 /nfs/dbraw/zinc/37/63/35/1042376335.db2.gz MZDFHBIKBAZTDU-AWEZNQCLSA-N -1 3 377.847 3.513 20 10 GHCDHM [O-]c1cc(Cl)c(F)cc1CN1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001237939166 1042429507 /nfs/dbraw/zinc/42/95/07/1042429507.db2.gz UCQKXSAYLNNUCT-OXJNMPFZSA-N -1 3 392.858 3.782 20 10 GHCDHM Cc1ccc([C@H]2C[C@H]2c2nnc(-c3ccc([O-])c(CN4CCOCC4)c3)o2)cc1 ZINC001257341980 1043969165 /nfs/dbraw/zinc/96/91/65/1043969165.db2.gz OWNBVMGLKBRZAY-WOJBJXKFSA-N -1 3 391.471 3.854 20 10 GHCDHM O=S(=O)(Cc1cccc(Cl)c1)Nc1ccc([O-])c(Br)c1 ZINC001260833593 1045702443 /nfs/dbraw/zinc/70/24/43/1045702443.db2.gz ZLFVVTVNAFOJBC-UHFFFAOYSA-N -1 3 376.659 3.750 20 10 GHCDHM [O-]c1cc(Br)ccc1CN1CCO[C@@H](CCc2ccccc2)C1 ZINC001308670977 1050054553 /nfs/dbraw/zinc/05/45/53/1050054553.db2.gz FFRQBIIRTQSDDD-SFHVURJKSA-N -1 3 376.294 3.988 20 10 GHCDHM O=C([N-]c1c2nonc2ccc1Cl)c1cc(Cl)ncc1Br ZINC001327647026 1050242688 /nfs/dbraw/zinc/24/26/88/1050242688.db2.gz IRFHXSWRFYJQLE-UHFFFAOYSA-N -1 3 388.008 3.939 20 10 GHCDHM O=C([O-])C[C@H](NCc1ccc2c(c1)CCO2)c1cccc(Br)c1 ZINC000756319831 1051029567 /nfs/dbraw/zinc/02/95/67/1051029567.db2.gz AOBIKJUZMAYXEQ-INIZCTEOSA-N -1 3 376.250 3.690 20 10 GHCDHM O=C([O-])C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(Cl)c1 ZINC000756336909 1051037193 /nfs/dbraw/zinc/03/71/93/1051037193.db2.gz DBNYHHXZQPRYSE-SFHVURJKSA-N -1 3 392.858 3.621 20 10 GHCDHM CCN(CC)c1ccc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(F)c2)cc1F ZINC000756363576 1051059116 /nfs/dbraw/zinc/05/91/16/1051059116.db2.gz NEZGWYSXGDCIPS-LJQANCHMSA-N -1 3 378.419 3.735 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc(F)c(Br)c1F ZINC001311028393 1051783765 /nfs/dbraw/zinc/78/37/65/1051783765.db2.gz ALDSQDIUCIVIOD-UHFFFAOYSA-N -1 3 375.144 3.894 20 10 GHCDHM Cn1ccnc1[C@H](NC(=O)NCc1c([O-])cccc1F)c1ccc(Cl)cc1 ZINC001311588437 1052267261 /nfs/dbraw/zinc/26/72/61/1052267261.db2.gz BKEGFVKMPPVWCY-QGZVFWFLSA-N -1 3 388.830 3.507 20 10 GHCDHM Cc1cc(N(C)C)ccc1CNC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001465027684 1065336907 /nfs/dbraw/zinc/33/69/07/1065336907.db2.gz BUKQBWLOSAAVPG-UHFFFAOYSA-N -1 3 390.509 3.795 20 10 GHCDHM COc1cc(CNCc2cc(Cl)cc(F)c2[O-])c(Br)cc1O ZINC001474200979 1074291224 /nfs/dbraw/zinc/29/12/24/1074291224.db2.gz LJFZQWCHXJUNHF-UHFFFAOYSA-N -1 3 390.636 3.951 20 10 GHCDHM FC(F)Oc1ccc(N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000822732861 599084547 /nfs/dbraw/zinc/08/45/47/599084547.db2.gz MYGJJASLKQLFGC-HNNXBMFYSA-N -1 3 386.406 3.549 20 10 GHCDHM Cc1cc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235411 599247686 /nfs/dbraw/zinc/24/76/86/599247686.db2.gz XSCPFXFJLPYEJU-JXFKEZNVSA-N -1 3 390.491 3.679 20 10 GHCDHM Cc1cccc(N2C(=O)C(=Cc3cc(-c4nnn[n-]4)cs3)SC2=S)c1C ZINC000822309360 606336542 /nfs/dbraw/zinc/33/65/42/606336542.db2.gz VVEXGDDJGHCKBM-VGOFMYFVSA-N -1 3 399.526 3.951 20 10 GHCDHM Cc1cccc(N2C(=O)C(=Cc3cc(-c4nn[n-]n4)cs3)SC2=S)c1C ZINC000822309360 606336544 /nfs/dbraw/zinc/33/65/44/606336544.db2.gz VVEXGDDJGHCKBM-VGOFMYFVSA-N -1 3 399.526 3.951 20 10 GHCDHM C[C@@H]1CCCC[C@H]1N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)SC1=S ZINC000820705259 606393146 /nfs/dbraw/zinc/39/31/46/606393146.db2.gz SKCMZKFNEQHKPO-QMJOALNRSA-N -1 3 391.547 3.708 20 10 GHCDHM CC(C)c1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)no1 ZINC000122629198 837893783 /nfs/dbraw/zinc/89/37/83/837893783.db2.gz SCFWMXUYIWNUEK-HNNXBMFYSA-N -1 3 377.872 3.551 20 10 GHCDHM COc1csc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000134267242 839816773 /nfs/dbraw/zinc/81/67/73/839816773.db2.gz OWCTWGDODBZFQP-AWEZNQCLSA-N -1 3 380.897 3.510 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(OCc3noc(C)n3)cc2)c1 ZINC000273449309 847341219 /nfs/dbraw/zinc/34/12/19/847341219.db2.gz OIAHINZXKGABLM-GFCCVEGCSA-N -1 3 383.404 3.622 20 10 GHCDHM COc1cc(/C=C2\SC(=S)N(c3cccnc3)C2=O)cc(Cl)c1[O-] ZINC000023724371 847502295 /nfs/dbraw/zinc/50/22/95/847502295.db2.gz CPCMXDICDPELQK-QPEQYQDCSA-N -1 3 378.862 3.855 20 10 GHCDHM Cc1cc(C(F)(F)F)nc2[nH]nc(NC(=O)c3ccc(O)c([O-])c3Cl)c21 ZINC001193209701 870946005 /nfs/dbraw/zinc/94/60/05/870946005.db2.gz NPKNSIVLPLQJDC-UHFFFAOYSA-N -1 3 386.717 3.602 20 10 GHCDHM C[C@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)C(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193611519 871187522 /nfs/dbraw/zinc/18/75/22/871187522.db2.gz HHKHUIDZFAGQFG-KSSFIOAISA-N -1 3 388.895 3.734 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCCC[C@@H]2COC(=O)N2CCCC2)c1[O-] ZINC001194213712 871560180 /nfs/dbraw/zinc/56/01/80/871560180.db2.gz SFFJAGXULDKIOT-QGZVFWFLSA-N -1 3 394.899 3.835 20 10 GHCDHM CSc1[n-]nc(NC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)c1C(N)=O ZINC001195262881 872290398 /nfs/dbraw/zinc/29/03/98/872290398.db2.gz SNLULXHRDBBDKV-QURGRASLSA-N -1 3 396.432 3.604 20 10 GHCDHM CCc1ccccc1NC(=O)CN(C)Cc1cccc(Br)c1[O-] ZINC000768181576 873151268 /nfs/dbraw/zinc/15/12/68/873151268.db2.gz YKQSIUUMJYTABZ-UHFFFAOYSA-N -1 3 377.282 3.788 20 10 GHCDHM CC(C)c1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)on1 ZINC000768916937 873686583 /nfs/dbraw/zinc/68/65/83/873686583.db2.gz VCNJHUIJQHKVIF-OAHLLOKOSA-N -1 3 377.872 3.551 20 10 GHCDHM O=C1NCCN(Cc2cc(Cl)ccc2[O-])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000769531104 874136974 /nfs/dbraw/zinc/13/69/74/874136974.db2.gz SFLUVJYWTDKABG-INIZCTEOSA-N -1 3 384.785 3.738 20 10 GHCDHM CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000772178825 875734714 /nfs/dbraw/zinc/73/47/14/875734714.db2.gz PZJJOUWIQBZDHU-INIZCTEOSA-N -1 3 377.784 3.549 20 10 GHCDHM CN1CCO[C@H]([C@@H](NCc2cc(Cl)cc(F)c2[O-])c2ccc(Cl)cc2)C1 ZINC000776253212 876033082 /nfs/dbraw/zinc/03/30/82/876033082.db2.gz LCZCHLLUNQJHLK-ROUUACIJSA-N -1 3 399.293 4.000 20 10 GHCDHM Cc1cccc(C)c1NC(=O)CN(C)Cc1cc(Br)ccc1[O-] ZINC000179629133 877764431 /nfs/dbraw/zinc/76/44/31/877764431.db2.gz BXBPVUOYWDVTNI-UHFFFAOYSA-N -1 3 377.282 3.842 20 10 GHCDHM CC(C)NC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001183094841 912279554 /nfs/dbraw/zinc/27/95/54/912279554.db2.gz LUGXSUNIEJDGRA-NSHDSACASA-N -1 3 389.721 3.545 20 10 GHCDHM COc1cc(CCC2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc(OC)c1 ZINC000790497543 879766105 /nfs/dbraw/zinc/76/61/05/879766105.db2.gz MRDSUBWEPVXDOV-UHFFFAOYSA-N -1 3 385.460 3.600 20 10 GHCDHM CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000790548122 879804997 /nfs/dbraw/zinc/80/49/97/879804997.db2.gz UPQGCLHHZGFYAZ-LJQANCHMSA-N -1 3 397.471 3.687 20 10 GHCDHM COc1ccc2ccccc2c1-c1cc(CNC(=O)c2cccc(O)c2[O-])on1 ZINC000790923085 880065179 /nfs/dbraw/zinc/06/51/79/880065179.db2.gz QPBHHXKZIXVCDC-UHFFFAOYSA-N -1 3 390.395 3.845 20 10 GHCDHM [O-]c1ccc(F)cc1CNCc1noc(-c2cccc(Br)c2)n1 ZINC000790940453 880115460 /nfs/dbraw/zinc/11/54/60/880115460.db2.gz KYPIXXMHZWIIQR-UHFFFAOYSA-N -1 3 378.201 3.634 20 10 GHCDHM O=C1COc2cc(Br)cc(NCc3ccc(Cl)cc3[O-])c2N1 ZINC001183491091 912546014 /nfs/dbraw/zinc/54/60/14/912546014.db2.gz NRCZJJDXGVKUKJ-UHFFFAOYSA-N -1 3 383.629 3.751 20 10 GHCDHM COc1cc(OC)cc(N2CCCN(Cc3c([O-])ccc(Cl)c3F)CC2)c1 ZINC000792168328 880959273 /nfs/dbraw/zinc/95/92/73/880959273.db2.gz DATHXWOENPJMJK-UHFFFAOYSA-N -1 3 394.874 3.914 20 10 GHCDHM COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000862771550 886592023 /nfs/dbraw/zinc/59/20/23/886592023.db2.gz GNQFRRQJFSRUEY-AWEZNQCLSA-N -1 3 392.249 3.846 20 10 GHCDHM COc1c([O-])c(CN2CCC(Oc3ccc(F)cc3F)CC2)ccc1[N+](=O)[O-] ZINC000774846136 913749413 /nfs/dbraw/zinc/74/94/13/913749413.db2.gz NPLKVXVJCNWLRS-UHFFFAOYSA-N -1 3 394.374 3.631 20 10 GHCDHM COc1c([O-])c(CNCc2cc(C(F)(F)F)cc(Cl)n2)ccc1[N+](=O)[O-] ZINC000877806742 893818040 /nfs/dbraw/zinc/81/80/40/893818040.db2.gz JXCDYIWANGCADZ-UHFFFAOYSA-N -1 3 391.733 3.666 20 10 GHCDHM CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000748049652 894560239 /nfs/dbraw/zinc/56/02/39/894560239.db2.gz NRCKZIZNSWQJIO-ZFWWWQNUSA-N -1 3 380.916 3.765 20 10 GHCDHM CSCC[C@H](NCc1cc(Cl)c(F)cc1[O-])c1nnc2ccccn21 ZINC000816530431 894897080 /nfs/dbraw/zinc/89/70/80/894897080.db2.gz ICPQENYOGVIZCL-AWEZNQCLSA-N -1 3 380.876 3.811 20 10 GHCDHM CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)c2cccc(O)c2[O-])c2ccccc21 ZINC000887228345 901604374 /nfs/dbraw/zinc/60/43/74/901604374.db2.gz FUIVZLRLCORAEH-CQSZACIVSA-N -1 3 398.459 3.757 20 10 GHCDHM CC(C)(C)OC(=O)[C@H]1CCCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144299965 901652227 /nfs/dbraw/zinc/65/22/27/901652227.db2.gz NSJMCAWHXILPGY-NSHDSACASA-N -1 3 388.277 3.848 20 10 GHCDHM CCc1noc([C@@H]2CCCN(Cc3cc(Br)c(F)cc3[O-])C2)n1 ZINC001144306952 901687142 /nfs/dbraw/zinc/68/71/42/901687142.db2.gz XVKINKWZLAVWBL-SNVBAGLBSA-N -1 3 384.249 3.619 20 10 GHCDHM CC(C)COc1cn(-c2ccccc2)nc1C(=O)NCc1c([O-])cccc1F ZINC001178410283 909047309 /nfs/dbraw/zinc/04/73/09/909047309.db2.gz PFUVWLZCTXXWCB-UHFFFAOYSA-N -1 3 383.423 3.682 20 10 GHCDHM COC(=O)[C@H](NCc1ccc(Br)cc1[O-])c1ccc(F)c(C)c1 ZINC001181022042 910484743 /nfs/dbraw/zinc/48/47/43/910484743.db2.gz JSHSGVPDUJDGCY-MRXNPFEDSA-N -1 3 382.229 3.606 20 10 GHCDHM C[C@H](Cc1ccc2c(c1)OCO2)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001182410152 911594291 /nfs/dbraw/zinc/59/42/91/911594291.db2.gz DFNQQTVOEMEYKS-GFCCVEGCSA-N -1 3 398.846 3.818 20 10 GHCDHM COc1ccc(OC)c(NC(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001188360602 915929343 /nfs/dbraw/zinc/92/93/43/915929343.db2.gz JIQUPWPLTLFKLI-UHFFFAOYSA-N -1 3 387.823 3.933 20 10 GHCDHM [O-]c1c(Br)cccc1CNc1ccc(CN2CCOCC2)cc1 ZINC000098039180 916097637 /nfs/dbraw/zinc/09/76/37/916097637.db2.gz PKVDCQBFWPEGSL-UHFFFAOYSA-N -1 3 377.282 3.599 20 10 GHCDHM C[C@H](c1ccccc1)N(C)C(=O)CN(C)Cc1cc(Br)ccc1[O-] ZINC000800544195 920262211 /nfs/dbraw/zinc/26/22/11/920262211.db2.gz ZPPRTIHDOMASQJ-CQSZACIVSA-N -1 3 391.309 3.806 20 10 GHCDHM COC(=O)c1cnc([C@H]2CCCN(Cc3c([O-])ccc(Cl)c3F)C2)s1 ZINC000827950645 926374622 /nfs/dbraw/zinc/37/46/22/926374622.db2.gz SYDUHMQFCKMTOE-JTQLQIEISA-N -1 3 384.860 3.807 20 10 GHCDHM CC(=O)N1CCN(Cc2cc(C)cc(Br)c2[O-])CC12CCCCC2 ZINC000781911164 931025509 /nfs/dbraw/zinc/02/55/09/931025509.db2.gz YADGMNOWAXIJPO-UHFFFAOYSA-N -1 3 395.341 3.830 20 10 GHCDHM Cc1cc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c(C)n1-c1ccccn1 ZINC000782701333 931307543 /nfs/dbraw/zinc/30/75/43/931307543.db2.gz UQBHFTBSEZXQMM-UHFFFAOYSA-N -1 3 390.399 3.602 20 10 GHCDHM CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1Cc1c(F)ccc(F)c1[O-] ZINC001139684380 933209185 /nfs/dbraw/zinc/20/91/85/933209185.db2.gz UCUBHZDLRUVDCR-IYOUNJFTSA-N -1 3 380.479 3.966 20 10 GHCDHM O=C([O-])c1cccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000840994418 969220243 /nfs/dbraw/zinc/22/02/43/969220243.db2.gz BEJJYFAVZXEPKK-UHFFFAOYSA-N -1 3 394.393 3.530 20 10 GHCDHM C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593234394 994401142 /nfs/dbraw/zinc/40/11/42/994401142.db2.gz ZJJHUJRWCRUUJU-TZMCWYRMSA-N -1 3 392.402 3.621 20 10 GHCDHM C[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593274208 994624108 /nfs/dbraw/zinc/62/41/08/994624108.db2.gz JWHIVFDUTLDMBG-NSHDSACASA-N -1 3 387.823 3.687 20 10 GHCDHM C[C@H]1[C@@H](Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)CN1C(=O)OC(C)(C)C ZINC001227940589 1032707166 /nfs/dbraw/zinc/70/71/66/1032707166.db2.gz MXIUNZCGSUKSGR-GUYCJALGSA-N -1 3 399.443 3.715 20 10 GHCDHM CCOc1c(Br)cc(C(=O)NCc2c([O-])cccc2F)cc1OC ZINC001156170601 1032912072 /nfs/dbraw/zinc/91/20/72/1032912072.db2.gz QUCSXFKPMCUNIL-UHFFFAOYSA-N -1 3 398.228 3.631 20 10 GHCDHM O=C(CSCc1ccc(Br)cc1)NCc1c([O-])cccc1F ZINC001156163927 1032908591 /nfs/dbraw/zinc/90/85/91/1032908591.db2.gz FZWQYWRIVVGYBK-UHFFFAOYSA-N -1 3 384.270 3.843 20 10 GHCDHM CS(=O)(=O)c1ccc(C2CCN(Cc3ccc(Cl)cc3[O-])CC2)cc1 ZINC001140468655 1021766194 /nfs/dbraw/zinc/76/61/94/1021766194.db2.gz SSJITOWPVMQKSN-UHFFFAOYSA-N -1 3 379.909 3.829 20 10 GHCDHM COc1ccc(Br)cc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756686095 1023773830 /nfs/dbraw/zinc/77/38/30/1023773830.db2.gz IBXXNLFLLJMYIU-JTQLQIEISA-N -1 3 381.226 3.922 20 10 GHCDHM Cc1ccc([C@]2(C)CN(Cc3c([O-])ccc4c(C)cc(=O)oc43)CCO2)cc1 ZINC001139131315 1025943459 /nfs/dbraw/zinc/94/34/59/1025943459.db2.gz NPCQXCJKTHBNEN-QHCPKHFHSA-N -1 3 379.456 3.863 20 10 GHCDHM [O-]c1cccc(Br)c1CN1CCN(c2ccc(F)c(F)c2)CC1 ZINC001140098660 1026875033 /nfs/dbraw/zinc/87/50/33/1026875033.db2.gz KEUHCQFLSXRNTA-UHFFFAOYSA-N -1 3 383.236 3.755 20 10 GHCDHM CCOC[C@H]1CN(Cc2c([O-])cccc2Br)Cc2cn(CC)nc21 ZINC001140099330 1026875956 /nfs/dbraw/zinc/87/59/56/1026875956.db2.gz BWZQNMKOHMSYEB-CQSZACIVSA-N -1 3 394.313 3.507 20 10 GHCDHM COC(=O)NCc1ccc(NCc2cc(C)cc(Br)c2[O-])cc1 ZINC001461209865 1069443517 /nfs/dbraw/zinc/44/35/17/1069443517.db2.gz YDIQMMPRZVQXQD-UHFFFAOYSA-N -1 3 379.254 3.931 20 10 GHCDHM CC(C)(C)OC(=O)N1CCN(Cc2cc(Br)ccc2[O-])CC12CC2 ZINC001203645582 1027503934 /nfs/dbraw/zinc/50/39/34/1027503934.db2.gz MSYQRMHXXSVDDM-UHFFFAOYSA-N -1 3 397.313 3.740 20 10 GHCDHM [O-]c1ccc(Br)cc1CN1CC[C@@H](N2CCCCC2)C(F)(F)C1 ZINC001203648014 1027505055 /nfs/dbraw/zinc/50/50/55/1027505055.db2.gz BLWKZTLSQSHZIO-MRXNPFEDSA-N -1 3 389.284 3.850 20 10 GHCDHM CCOC(=O)[C@H]1c2ccc(OC)cc2CCN1Cc1cc(Cl)ccc1[O-] ZINC001203665498 1027519182 /nfs/dbraw/zinc/51/91/82/1027519182.db2.gz MJOKXFAXMXSFFY-LJQANCHMSA-N -1 3 375.852 3.717 20 10 GHCDHM CCS(=O)(=O)c1cc(Cl)cc(CNCc2cc(Cl)c(F)cc2[O-])c1 ZINC000840956432 1027985023 /nfs/dbraw/zinc/98/50/23/1027985023.db2.gz QMECXPQZAGHXOV-UHFFFAOYSA-N -1 3 392.279 3.922 20 10 GHCDHM Nc1ccc(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc1 ZINC000841298503 1028391666 /nfs/dbraw/zinc/39/16/66/1028391666.db2.gz QKGLANMUSUJGSA-UHFFFAOYSA-N -1 3 388.855 3.510 20 10 GHCDHM Cn1c(CNCc2c([O-])cccc2Br)nc2cccc(Cl)c21 ZINC001461438878 1069550574 /nfs/dbraw/zinc/55/05/74/1069550574.db2.gz YAOMJHFQXOJHDG-UHFFFAOYSA-N -1 3 380.673 3.985 20 10 GHCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cccc(Cl)c2Br)no1 ZINC001215325518 1029153532 /nfs/dbraw/zinc/15/35/32/1029153532.db2.gz XKXGUNAMSFFVCZ-UHFFFAOYSA-N -1 3 383.585 3.936 20 10 GHCDHM Cc1cc(F)c(-c2noc(-c3ccc(O)c(O)c3[O-])n2)cc1Br ZINC001215325564 1029155009 /nfs/dbraw/zinc/15/50/09/1029155009.db2.gz ZMYDMGMKQLABLJ-UHFFFAOYSA-N -1 3 381.157 3.730 20 10 GHCDHM O=C(NC1CCCC1)[C@@H]1CC12CCN(Cc1cc(F)c(Cl)cc1[O-])CC2 ZINC001276967557 1030979531 /nfs/dbraw/zinc/97/95/31/1030979531.db2.gz PCRDEZBMILFREJ-HNNXBMFYSA-N -1 3 380.891 3.846 20 10 GHCDHM Cc1ccc2oc(C(=O)NCc3cc(Cl)c4cccnc4c3[O-])cc(=O)c2c1 ZINC001153657486 1031695121 /nfs/dbraw/zinc/69/51/21/1031695121.db2.gz IZDNQLCWZUEWAC-UHFFFAOYSA-N -1 3 394.814 3.939 20 10 GHCDHM O=C(NC1CCCC1)c1ccc(NCc2cc(Cl)c3cccnc3c2[O-])nn1 ZINC001157727397 1033742902 /nfs/dbraw/zinc/74/29/02/1033742902.db2.gz LLFLGPIKANFPCH-UHFFFAOYSA-N -1 3 397.866 3.668 20 10 GHCDHM CC(C)(C)C(=O)Nc1ccc(NCc2cc(Cl)c3cccnc3c2[O-])nn1 ZINC001157726801 1033743073 /nfs/dbraw/zinc/74/30/73/1033743073.db2.gz ZSMBWLZRGRHKMV-UHFFFAOYSA-N -1 3 385.855 3.981 20 10 GHCDHM Cc1cc(C(F)(F)NCc2cc(Br)ccc2[O-])nc(Cl)n1 ZINC001160012975 1034829595 /nfs/dbraw/zinc/82/95/95/1034829595.db2.gz XMCBBLNJBHCJDC-UHFFFAOYSA-N -1 3 378.604 3.746 20 10 GHCDHM Cc1cc([O-])c(CN2Cc3nn(C)cc3[C@@H](COCC3CC3)C2)cc1Cl ZINC001231868941 1034955945 /nfs/dbraw/zinc/95/59/45/1034955945.db2.gz ZPVRVNIFXCVVPC-MRXNPFEDSA-N -1 3 375.900 3.614 20 10 GHCDHM COc1cc([O-])c(CN2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)cc1Cl ZINC001232270091 1037993940 /nfs/dbraw/zinc/99/39/40/1037993940.db2.gz SRCZFZOILMHIDU-UHFFFAOYSA-N -1 3 382.888 3.543 20 10 GHCDHM [O-]c1cc(I)ccc1CN1CCO[C@H](c2ccccc2)C1 ZINC001232979343 1038747618 /nfs/dbraw/zinc/74/76/18/1038747618.db2.gz WSNMAYNPGKKMTP-KRWDZBQOSA-N -1 3 395.240 3.570 20 10 GHCDHM CC[C@@H]1N(Cc2c([O-])cc(Br)cc2F)CCC[C@]12CCC(=O)N2C ZINC001233030232 1038782951 /nfs/dbraw/zinc/78/29/51/1038782951.db2.gz YSFAQSUEFFLPIF-WMZOPIPTSA-N -1 3 399.304 3.659 20 10 GHCDHM COc1c(O[C@H](C)C2CCOCC2)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234127751 1039868559 /nfs/dbraw/zinc/86/85/59/1039868559.db2.gz UWEURLIQVXGTKR-CYBMUJFWSA-N -1 3 396.439 3.679 20 10 GHCDHM COc1ccccc1O[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001235066170 1040556073 /nfs/dbraw/zinc/55/60/73/1040556073.db2.gz XXZATYSEFNVPJQ-AWEZNQCLSA-N -1 3 396.256 3.956 20 10 GHCDHM CCc1noc([C@H]2CCCN(Cc3cc(Br)cc(F)c3[O-])C2)n1 ZINC001235067522 1040557378 /nfs/dbraw/zinc/55/73/78/1040557378.db2.gz VJBUZXUQRBKCQF-JTQLQIEISA-N -1 3 384.249 3.619 20 10 GHCDHM [O-]c1c(F)cc(Br)cc1CN1CCC[C@@H](Oc2ccncc2)C1 ZINC001235076610 1040565354 /nfs/dbraw/zinc/56/53/54/1040565354.db2.gz YUYYCXVJPXWCLB-OAHLLOKOSA-N -1 3 381.245 3.732 20 10 GHCDHM Cc1cnccc1O[C@H]1CCN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235308002 1040781546 /nfs/dbraw/zinc/78/15/46/1040781546.db2.gz NDDQVRBCOHBWPC-AWEZNQCLSA-N -1 3 381.245 3.651 20 10 GHCDHM COC(=O)c1ccc(C2CN(Cc3cc(C)cc(Br)c3[O-])C2)cc1 ZINC001236668844 1041815733 /nfs/dbraw/zinc/81/57/33/1041815733.db2.gz FBNWUEYNEYXWFL-UHFFFAOYSA-N -1 3 390.277 3.849 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCCc3cc(O)c(O)cc3C2)c1 ZINC001236669435 1041817123 /nfs/dbraw/zinc/81/71/23/1041817123.db2.gz MCQUSAUIHNDMMB-UHFFFAOYSA-N -1 3 378.266 3.823 20 10 GHCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCn2cc(CN3CCCCC3)nc2C1 ZINC001236794165 1041898191 /nfs/dbraw/zinc/89/81/91/1041898191.db2.gz SVLIRQATIARYHJ-UHFFFAOYSA-N -1 3 395.334 3.897 20 10 GHCDHM COc1cc([O-])c(CN2CC[C@H](C)N(C(=O)OC(C)(C)C)CC2)c(Cl)c1 ZINC001236800385 1041903208 /nfs/dbraw/zinc/90/32/08/1041903208.db2.gz XVANJYYEQBQWPN-ZDUSSCGKSA-N -1 3 384.904 3.886 20 10 GHCDHM COc1ccc(CN2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c([O-])c1Cl ZINC001236801492 1041904072 /nfs/dbraw/zinc/90/40/72/1041904072.db2.gz KEHHJPNPYWMGOH-CQSZACIVSA-N -1 3 384.904 3.933 20 10 GHCDHM COc1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@H](C)C2)c([O-])c1Cl ZINC001236801676 1041904294 /nfs/dbraw/zinc/90/42/94/1041904294.db2.gz LHVQNMFDPUFCJW-CYBMUJFWSA-N -1 3 384.904 3.743 20 10 GHCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001237617490 1042284275 /nfs/dbraw/zinc/28/42/75/1042284275.db2.gz AUZAKWXBCSKTCF-FXAWDEMLSA-N -1 3 392.858 3.782 20 10 GHCDHM CN(Cc1ccco1)[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])[C@@H]2CCCO[C@H]12 ZINC001237620780 1042287434 /nfs/dbraw/zinc/28/74/34/1042287434.db2.gz XRSAXFQJDHAPAX-GGPKGHCWSA-N -1 3 394.874 3.642 20 10 GHCDHM O=S(=O)(NCc1cc(Cl)c2cccnc2c1[O-])c1cccc(Cl)c1 ZINC001256824489 1043678304 /nfs/dbraw/zinc/67/83/04/1043678304.db2.gz DYQCQPSUJWYAEZ-UHFFFAOYSA-N -1 3 383.256 3.726 20 10 GHCDHM Cc1ccc([C@@H]2C[C@@H]2c2nnc(-c3ccc([O-])c(CN4CCOCC4)c3)o2)cc1 ZINC001257341976 1043968161 /nfs/dbraw/zinc/96/81/61/1043968161.db2.gz OWNBVMGLKBRZAY-PMACEKPBSA-N -1 3 391.471 3.854 20 10 GHCDHM COc1ccccc1CO[N-]C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC001297134997 1045461121 /nfs/dbraw/zinc/46/11/21/1045461121.db2.gz ATRUQVNBTHPDEB-UHFFFAOYSA-N -1 3 392.455 3.706 20 10 GHCDHM COc1cc(CN2CCN(Cc3cc(Cl)c(C)cc3[O-])CC2)cc(OC)c1 ZINC001308622232 1050036992 /nfs/dbraw/zinc/03/69/92/1050036992.db2.gz KMOWEKCSKRNAKC-UHFFFAOYSA-N -1 3 390.911 3.689 20 10 GHCDHM COc1ccc(C2=NO[C@H](CNCc3c([O-])ccc(Cl)c3F)C2)cc1C ZINC001308924105 1050177329 /nfs/dbraw/zinc/17/73/29/1050177329.db2.gz SABDIPNPEPBKNS-ZDUSSCGKSA-N -1 3 378.831 3.785 20 10 GHCDHM [O-]c1c2cccnc2sc1-c1nnc(N2CCCC2)n1Cc1cccs1 ZINC001343662984 1053957090 /nfs/dbraw/zinc/95/70/90/1053957090.db2.gz AGNUJUQGYJYIHS-UHFFFAOYSA-N -1 3 383.502 3.970 20 10 GHCDHM CC(C)(C)c1csc(CC2(O)CCN(Cc3cc(F)cc(F)c3[O-])CC2)n1 ZINC001474665460 1054226549 /nfs/dbraw/zinc/22/65/49/1054226549.db2.gz FHKJERRZWPHVIR-UHFFFAOYSA-N -1 3 396.503 3.994 20 10 GHCDHM CCOc1ccc(CN(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1OC ZINC001341523558 1060729542 /nfs/dbraw/zinc/72/95/42/1060729542.db2.gz DDLGGGMSNLBQHL-UHFFFAOYSA-N -1 3 380.828 3.993 20 10 GHCDHM CCOCCCn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@H]2C[C@H]2C1 ZINC001346785721 1061884568 /nfs/dbraw/zinc/88/45/68/1061884568.db2.gz WNGIMEPZQLCVEJ-KBPBESRZSA-N -1 3 399.520 3.533 20 10 GHCDHM C[C@@H](C1CC1)N(C)c1nnc(-c2sc3ncccc3c2[O-])n1C[C@H]1CCOC1 ZINC001348910002 1063393949 /nfs/dbraw/zinc/39/39/49/1063393949.db2.gz HKCFNWKERBJRBQ-QWHCGFSZSA-N -1 3 399.520 3.532 20 10 GHCDHM O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1cccc(O)c1[O-] ZINC001467791505 1067470426 /nfs/dbraw/zinc/47/04/26/1067470426.db2.gz XWPFJEGGCVEDSI-LBPRGKRZSA-N -1 3 381.259 3.803 20 10 GHCDHM Cc1cc(CN2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)ccc1N1CCCCC1 ZINC001460663689 1069068299 /nfs/dbraw/zinc/06/82/99/1069068299.db2.gz FKBYVWLIDYRDGC-IBGZPJMESA-N -1 3 383.458 3.628 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)c1cc(-c2ccc(Br)cc2)no1 ZINC001471975795 1073288615 /nfs/dbraw/zinc/28/86/15/1073288615.db2.gz HRRKFLMTNGJNIB-UHFFFAOYSA-N -1 3 391.196 3.879 20 10 GHCDHM CC(C)(C)OC(=O)N1CCn2nc(NCc3c([O-])cccc3Cl)cc2C1 ZINC001474280881 1074324173 /nfs/dbraw/zinc/32/41/73/1074324173.db2.gz RYWCZYSHWYUYSN-UHFFFAOYSA-N -1 3 378.860 3.605 20 10 GHCDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCC(C)CC3)cc2)c(F)c1F ZINC001474945192 1074644669 /nfs/dbraw/zinc/64/46/69/1074644669.db2.gz AEANRPLQVQXHQU-UHFFFAOYSA-N -1 3 394.487 3.988 20 10 GHCDHM Cc1cc(C(=O)N2CCC[C@H](C)[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233024 599102653 /nfs/dbraw/zinc/10/26/53/599102653.db2.gz CQYBWKIERVWDKW-ZFWWWQNUSA-N -1 3 378.480 3.535 20 10 GHCDHM Cc1cc(C(=O)Nc2ccc(F)cc2F)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737238580 598609530 /nfs/dbraw/zinc/60/95/30/598609530.db2.gz PQHHJZAOBHLISY-UHFFFAOYSA-N -1 3 394.385 3.805 20 10 GHCDHM Cc1cc(C(=O)Nc2cc(F)ccc2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737348435 598609628 /nfs/dbraw/zinc/60/96/28/598609628.db2.gz YYMMMCRSCVMPNB-UHFFFAOYSA-N -1 3 390.422 3.974 20 10 GHCDHM Clc1ccc(NCc2ccc(N3CCSCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000737572981 598793600 /nfs/dbraw/zinc/79/36/00/598793600.db2.gz CEPRUSKICXPRFS-UHFFFAOYSA-N -1 3 386.912 3.685 20 10 GHCDHM Clc1ccc(NCc2ccc(N3CCSCC3)cc2)c(-c2nn[n-]n2)c1 ZINC000737572981 598793601 /nfs/dbraw/zinc/79/36/01/598793601.db2.gz CEPRUSKICXPRFS-UHFFFAOYSA-N -1 3 386.912 3.685 20 10 GHCDHM Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)s3)SC2=S)c1 ZINC000822196752 606393836 /nfs/dbraw/zinc/39/38/36/606393836.db2.gz VYXKWWYZNADUNY-RIYZIHGNSA-N -1 3 399.526 3.951 20 10 GHCDHM C[C@@H](Sc1ncc(C(C)(C)C)s1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820555126 607120125 /nfs/dbraw/zinc/12/01/25/607120125.db2.gz GWJCTGITTVFPED-SNVBAGLBSA-N -1 3 388.522 3.740 20 10 GHCDHM C[C@@H](Sc1ncc(C(C)(C)C)s1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820555126 607120126 /nfs/dbraw/zinc/12/01/26/607120126.db2.gz GWJCTGITTVFPED-SNVBAGLBSA-N -1 3 388.522 3.740 20 10 GHCDHM CCN(CC)c1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821197220 607199900 /nfs/dbraw/zinc/19/99/00/607199900.db2.gz HUGDYKPRJIMIPT-UHFFFAOYSA-N -1 3 399.886 3.688 20 10 GHCDHM CCN(CC)c1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821197220 607199901 /nfs/dbraw/zinc/19/99/01/607199901.db2.gz HUGDYKPRJIMIPT-UHFFFAOYSA-N -1 3 399.886 3.688 20 10 GHCDHM Cc1c(Cl)cnc(N(Cc2ccco2)Cc2ccccc2O)c1-c1nnn[n-]1 ZINC000826237160 609584702 /nfs/dbraw/zinc/58/47/02/609584702.db2.gz QHYKNZFQOPDYJZ-UHFFFAOYSA-N -1 3 396.838 3.729 20 10 GHCDHM Cc1c(Cl)cnc(N(Cc2ccco2)Cc2ccccc2O)c1-c1nn[n-]n1 ZINC000826237160 609584703 /nfs/dbraw/zinc/58/47/03/609584703.db2.gz QHYKNZFQOPDYJZ-UHFFFAOYSA-N -1 3 396.838 3.729 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCC(NC(=O)c3ccsc3)CC2)c1[O-] ZINC000177045942 835589399 /nfs/dbraw/zinc/58/93/99/835589399.db2.gz CNSLBDMFHKYJDI-UHFFFAOYSA-N -1 3 392.908 3.704 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccccc2NC(=O)Cc2cccs2)c([O-])c1O ZINC000179486031 835740624 /nfs/dbraw/zinc/74/06/24/835740624.db2.gz NRCHQAKTJJBYRY-UHFFFAOYSA-N -1 3 382.441 3.901 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCC(NC(=O)CC3CCCC3)CC2)c1[O-] ZINC000177155560 836084978 /nfs/dbraw/zinc/08/49/78/836084978.db2.gz KSGTWVVEXUYDSV-UHFFFAOYSA-N -1 3 392.927 3.909 20 10 GHCDHM Cc1cccc(NC(=O)CN(C)Cc2cccc(Br)c2[O-])c1C ZINC000161540221 849100262 /nfs/dbraw/zinc/10/02/62/849100262.db2.gz GOICXRMASUVKOY-UHFFFAOYSA-N -1 3 377.282 3.842 20 10 GHCDHM COc1cc(Cl)cc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)c1O ZINC000761183441 858923692 /nfs/dbraw/zinc/92/36/92/858923692.db2.gz JVLXAVRGWXXVOW-UHFFFAOYSA-N -1 3 375.852 3.855 20 10 GHCDHM COc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000896945818 864116786 /nfs/dbraw/zinc/11/67/86/864116786.db2.gz BNIPEMKRMGPQLJ-AWEZNQCLSA-N -1 3 376.403 3.530 20 10 GHCDHM Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c([O-])c1 ZINC000743735577 868399503 /nfs/dbraw/zinc/39/95/03/868399503.db2.gz IZJHURSGMMSGMB-AWEZNQCLSA-N -1 3 376.403 3.701 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)c([O-])c1O ZINC000181843408 871552710 /nfs/dbraw/zinc/55/27/10/871552710.db2.gz ZPBCRCCMZHXXRO-UHFFFAOYSA-N -1 3 396.422 3.783 20 10 GHCDHM CC(C)N1CCN(c2cccc(NC(=O)c3ccc4[n-]c(=S)oc4c3)c2)CC1 ZINC000767930777 872965859 /nfs/dbraw/zinc/96/58/59/872965859.db2.gz JCFNBRROUWTLQL-UHFFFAOYSA-N -1 3 396.516 3.899 20 10 GHCDHM CN(CC(=O)Nc1cccc(Cl)c1)Cc1cc(Br)ccc1[O-] ZINC000768302729 873220454 /nfs/dbraw/zinc/22/04/54/873220454.db2.gz KRTRHBMXUOSHGB-UHFFFAOYSA-N -1 3 383.673 3.879 20 10 GHCDHM COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000770468622 874701851 /nfs/dbraw/zinc/70/18/51/874701851.db2.gz JKMKMVBNLCCOQS-UHFFFAOYSA-N -1 3 385.338 3.703 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)c([O-])c1O ZINC000770489629 874731220 /nfs/dbraw/zinc/73/12/20/874731220.db2.gz VXNJMEXGAXMISH-UHFFFAOYSA-N -1 3 378.384 3.550 20 10 GHCDHM [O-]c1c(Br)cc(Br)cc1CNCc1cccc(F)n1 ZINC000776251812 876030783 /nfs/dbraw/zinc/03/07/83/876030783.db2.gz BWYGAEGBXBIJAF-UHFFFAOYSA-N -1 3 390.050 3.741 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000789909165 879353670 /nfs/dbraw/zinc/35/36/70/879353670.db2.gz VDHDJZPXONVFPL-QGZVFWFLSA-N -1 3 381.407 3.994 20 10 GHCDHM Cc1cc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)c(C)c(C)c1O ZINC000790346652 879614595 /nfs/dbraw/zinc/61/45/95/879614595.db2.gz PWLIFNMJACEAHL-UHFFFAOYSA-N -1 3 375.368 3.859 20 10 GHCDHM O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1cccc(O)c1[O-] ZINC000790512369 879784244 /nfs/dbraw/zinc/78/42/44/879784244.db2.gz JNSCBPGOOCZRCD-UHFFFAOYSA-N -1 3 377.422 3.633 20 10 GHCDHM COc1cc([C@@H](C)NC(=O)c2cccc(O)c2[O-])ccc1OCc1ccncc1 ZINC000790547531 879805243 /nfs/dbraw/zinc/80/52/43/879805243.db2.gz WNUJAZQJVUDZCC-CQSZACIVSA-N -1 3 394.427 3.571 20 10 GHCDHM COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000790768803 879964542 /nfs/dbraw/zinc/96/45/42/879964542.db2.gz OTOBDQZETJNUGU-ZDUSSCGKSA-N -1 3 375.852 3.855 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N(Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 ZINC000790904038 880080551 /nfs/dbraw/zinc/08/05/51/880080551.db2.gz SGZAGRDMZVTDOH-DEOSSOPVSA-N -1 3 389.451 3.574 20 10 GHCDHM O=C(Nc1ccc(O)cc1)C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792166337 880957765 /nfs/dbraw/zinc/95/77/65/880957765.db2.gz XUEPENIWNCLWRU-UHFFFAOYSA-N -1 3 378.831 3.741 20 10 GHCDHM O=C(NCC(F)F)[C@@H]1CC12CCN(Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC001275236953 912783672 /nfs/dbraw/zinc/78/36/72/912783672.db2.gz RSQQONXGKBNVOY-LBPRGKRZSA-N -1 3 393.261 3.682 20 10 GHCDHM [O-]c1cc(F)c(F)cc1CN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001142534556 884603426 /nfs/dbraw/zinc/60/34/26/884603426.db2.gz NRZYTTZZCCOLKR-UHFFFAOYSA-N -1 3 388.336 3.891 20 10 GHCDHM Cc1cccc(C)c1NC(=O)CN(C)Cc1c([O-])cccc1Br ZINC000862213493 886211376 /nfs/dbraw/zinc/21/13/76/886211376.db2.gz QNMZKADGMYWXIF-UHFFFAOYSA-N -1 3 377.282 3.842 20 10 GHCDHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)c(C)n1-c1ccc(F)cc1 ZINC001299199883 887101027 /nfs/dbraw/zinc/10/10/27/887101027.db2.gz YMYBLWCFZLNDAD-UHFFFAOYSA-N -1 3 394.385 3.805 20 10 GHCDHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)c(C)n1-c1ccc(F)cc1 ZINC001299199883 887101029 /nfs/dbraw/zinc/10/10/29/887101029.db2.gz YMYBLWCFZLNDAD-UHFFFAOYSA-N -1 3 394.385 3.805 20 10 GHCDHM CCOC(=O)c1cnn(C2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)c1C ZINC000809687743 887708025 /nfs/dbraw/zinc/70/80/25/887708025.db2.gz PVAUSUQGGMLPFB-UHFFFAOYSA-N -1 3 395.862 3.703 20 10 GHCDHM CCOC(=O)c1c(C)c(C)nnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168522810 891103758 /nfs/dbraw/zinc/10/37/58/891103758.db2.gz VUZYWPLUGJPWHV-UHFFFAOYSA-N -1 3 386.839 3.789 20 10 GHCDHM COc1ccc(N[C@H](C)c2cccc(C(F)(F)F)c2[O-])cc1-n1nnnc1C ZINC000815612048 894044158 /nfs/dbraw/zinc/04/41/58/894044158.db2.gz BQHZJUOJUJSGLL-SNVBAGLBSA-N -1 3 393.369 3.877 20 10 GHCDHM COc1c([O-])c(CN(Cc2ccco2)Cc2ccc(O)cc2)ccc1[N+](=O)[O-] ZINC000774876289 913854708 /nfs/dbraw/zinc/85/47/08/913854708.db2.gz OPHZBTLJZLBWES-UHFFFAOYSA-N -1 3 384.388 3.810 20 10 GHCDHM Cc1ccc(C(=O)NC2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)s1 ZINC000816498612 894878517 /nfs/dbraw/zinc/87/85/17/894878517.db2.gz CFIQXRDASYWQEE-UHFFFAOYSA-N -1 3 382.888 3.949 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)C3CCCC3)c2)c([O-])c1O ZINC000817477617 895705097 /nfs/dbraw/zinc/70/50/97/895705097.db2.gz MZTMSEFCVWDRHS-UHFFFAOYSA-N -1 3 389.473 3.683 20 10 GHCDHM O=C(c1ccsc1)N1CCCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824600696 899713240 /nfs/dbraw/zinc/71/32/40/899713240.db2.gz BJDOYEQLIOVERC-UHFFFAOYSA-N -1 3 395.322 3.564 20 10 GHCDHM COC[C@]1(C)CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000824583692 899724142 /nfs/dbraw/zinc/72/41/42/899724142.db2.gz OUIQZBXDHKKKDI-CQSZACIVSA-N -1 3 393.119 3.776 20 10 GHCDHM COc1cccc([C@@H]2CN(Cc3ccc(Br)cc3[O-])CCO2)c1 ZINC000824708974 899779383 /nfs/dbraw/zinc/77/93/83/899779383.db2.gz IZLJBBWCCJEBSE-SFHVURJKSA-N -1 3 378.266 3.737 20 10 GHCDHM CC(C)(C)OC(=O)NCC[C@H](NCc1c([O-])cccc1Cl)C(F)(F)F ZINC000825269606 900065113 /nfs/dbraw/zinc/06/51/13/900065113.db2.gz RPZADHBOXTWKAW-ZDUSSCGKSA-N -1 3 382.810 3.981 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1[O-] ZINC000134635217 900096800 /nfs/dbraw/zinc/09/68/00/900096800.db2.gz KQXSPQSNHYUDRI-MLGOLLRUSA-N -1 3 380.460 3.612 20 10 GHCDHM C[C@@H](NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1c([O-])cccc1F ZINC000886607818 901187362 /nfs/dbraw/zinc/18/73/62/901187362.db2.gz ZHICXBWWYOMASO-DMZKTXOQSA-N -1 3 397.450 3.607 20 10 GHCDHM Cc1cccc(O[C@H]2CCN(Cc3cc(Br)c(F)cc3[O-])C2)n1 ZINC001144308848 901706206 /nfs/dbraw/zinc/70/62/06/901706206.db2.gz ZTDAPSZFOQHDGH-ZDUSSCGKSA-N -1 3 381.245 3.651 20 10 GHCDHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(C(C)C)c(O)cc3C)ccc21 ZINC000123890269 901993745 /nfs/dbraw/zinc/99/37/45/901993745.db2.gz KXLRENIIZQNGKX-UHFFFAOYSA-N -1 3 388.489 3.534 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](Cc2ccccc2)c2nccn2C)c1 ZINC000846206539 902756493 /nfs/dbraw/zinc/75/64/93/902756493.db2.gz DIXNPVIXXHURMH-BEFAXECRSA-N -1 3 379.460 3.547 20 10 GHCDHM [O-]c1ccc(Br)cc1CN1CCc2c(ncn2-c2ccccc2)C1 ZINC000779143645 904654573 /nfs/dbraw/zinc/65/45/73/904654573.db2.gz LRWIJGPGKJMWFQ-UHFFFAOYSA-N -1 3 384.277 3.899 20 10 GHCDHM CC(=O)NCCN(Cc1ccc(C)s1)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000801559474 921132710 /nfs/dbraw/zinc/13/27/10/921132710.db2.gz AGIDLMQHAXSUFU-UHFFFAOYSA-N -1 3 394.924 3.756 20 10 GHCDHM Cc1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)c([O-])c1O ZINC000779284222 906016791 /nfs/dbraw/zinc/01/67/91/906016791.db2.gz ZHCZZXYNLPSVQT-GFCCVEGCSA-N -1 3 377.824 3.727 20 10 GHCDHM C[C@@H](NCc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccc(F)c(F)c1[O-] ZINC000191222340 908596609 /nfs/dbraw/zinc/59/66/09/908596609.db2.gz OVNPSNAAGYDREU-GFCCVEGCSA-N -1 3 398.475 3.598 20 10 GHCDHM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000267966852 909713956 /nfs/dbraw/zinc/71/39/56/909713956.db2.gz ANDHLOHXDWIUNX-UHFFFAOYSA-N -1 3 390.461 3.581 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000775148033 915568702 /nfs/dbraw/zinc/56/87/02/915568702.db2.gz WRINMSMUBYUKRA-HZMBPMFUSA-N -1 3 382.220 3.598 20 10 GHCDHM CC(=O)N1CCC(N(Cc2cncs2)Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000293810277 916397508 /nfs/dbraw/zinc/39/75/08/916397508.db2.gz DZSSBOCQCLIRLA-UHFFFAOYSA-N -1 3 397.903 3.654 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cnccc1Br ZINC001189587556 916761392 /nfs/dbraw/zinc/76/13/92/916761392.db2.gz ANMOKUUNTKDNQL-UHFFFAOYSA-N -1 3 392.640 3.681 20 10 GHCDHM COc1cc(C)c(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc1OC ZINC001191708299 918132161 /nfs/dbraw/zinc/13/21/61/918132161.db2.gz AOEMTDAJONNLGN-UHFFFAOYSA-N -1 3 386.835 3.849 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1[O-] ZINC000750043724 927402511 /nfs/dbraw/zinc/40/25/11/927402511.db2.gz XFRLGVMVEATRFG-AWEZNQCLSA-N -1 3 396.915 3.937 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2ccc(C(N)=O)c(OC(C)C)c2)c1 ZINC000798086072 932524550 /nfs/dbraw/zinc/52/45/50/932524550.db2.gz JGQTYRHMIRLONP-UHFFFAOYSA-N -1 3 393.281 3.961 20 10 GHCDHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(N3CCCC3)c2)c(Cl)c1 ZINC001120584363 934476292 /nfs/dbraw/zinc/47/62/92/934476292.db2.gz FPCDBVNGLFOVIQ-UHFFFAOYSA-N -1 3 393.896 3.564 20 10 GHCDHM [O-]c1cccc(F)c1CN1CCO[C@]2(CCC[C@@H]2COCc2ccccn2)C1 ZINC001137836085 935815193 /nfs/dbraw/zinc/81/51/93/935815193.db2.gz VEGXJKWJKCWIQZ-VGOFRKELSA-N -1 3 386.467 3.514 20 10 GHCDHM [O-]c1cccc(F)c1CN1Cc2c(cnn2CC2CC2)[C@H](COCC2CC2)C1 ZINC001137835781 935815394 /nfs/dbraw/zinc/81/53/94/935815394.db2.gz NMDRSORSTUGNGS-KRWDZBQOSA-N -1 3 385.483 3.664 20 10 GHCDHM CCc1cccc(CN2Cc3cccc(Br)c3C[C@@H]2C(=O)[O-])c1O ZINC001597586219 988401681 /nfs/dbraw/zinc/40/16/81/988401681.db2.gz BCQAOHOSOOTBNC-QGZVFWFLSA-N -1 3 390.277 3.729 20 10 GHCDHM C[C@H](NC1(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])CCOCC1)c1ccccc1 ZINC001593210190 994244041 /nfs/dbraw/zinc/24/40/41/994244041.db2.gz NIOVNIMUCWODJR-IRXDYDNUSA-N -1 3 398.503 3.641 20 10 GHCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1OC1CN(Cc2ccccc2)C1 ZINC001227937943 1032705717 /nfs/dbraw/zinc/70/57/17/1032705717.db2.gz PYFDLDZGZFDLNQ-UHFFFAOYSA-N -1 3 375.424 3.592 20 10 GHCDHM CCOC(=O)[C@@H]1CCC[C@H](Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)C1 ZINC001227939898 1032706856 /nfs/dbraw/zinc/70/68/56/1032706856.db2.gz FTXCMMAOQVFBDR-CVEARBPZSA-N -1 3 384.428 3.830 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc2c(c1)CN(CC(F)(F)F)C2 ZINC000931709697 1018033971 /nfs/dbraw/zinc/03/39/71/1018033971.db2.gz LCNKPLDRGNDJJT-UHFFFAOYSA-N -1 3 383.345 3.731 20 10 GHCDHM C[C@@]1(C(=O)NCc2c([O-])cccc2F)CC(c2cccc(Cl)c2F)=NO1 ZINC001156170848 1032912173 /nfs/dbraw/zinc/91/21/73/1032912173.db2.gz VCZWXJPFPNCBEG-SFHVURJKSA-N -1 3 380.778 3.523 20 10 GHCDHM CCn1ncc2c1CN(Cc1c([O-])cccc1Cl)C[C@H]2COc1cccnc1 ZINC001140339462 1021447173 /nfs/dbraw/zinc/44/71/73/1021447173.db2.gz VGOKZNQVNFLQFN-HNNXBMFYSA-N -1 3 398.894 3.835 20 10 GHCDHM O=S1(=O)CCCN(Cc2cc3oc4ccccc4c3cc2[O-])[C@@H](C2CC2)C1 ZINC000902624673 1021526811 /nfs/dbraw/zinc/52/68/11/1021526811.db2.gz OUXLSJJZEORNIQ-GOSISDBHSA-N -1 3 385.485 3.691 20 10 GHCDHM CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccc(Cl)cc1[O-])CCO2 ZINC001140463098 1021754062 /nfs/dbraw/zinc/75/40/62/1021754062.db2.gz SIQJRKADSMRMEH-UHFFFAOYSA-N -1 3 396.915 3.648 20 10 GHCDHM Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2ccc(Cl)cc2[O-])cs1 ZINC001140465532 1021760106 /nfs/dbraw/zinc/76/01/06/1021760106.db2.gz PJHPCBAYKPVLTM-QXAKKESOSA-N -1 3 394.924 3.759 20 10 GHCDHM C[C@@H](N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756779164 1023812446 /nfs/dbraw/zinc/81/24/46/1023812446.db2.gz QOXOWZVZWUYOQF-ABKXIKBNSA-N -1 3 384.785 3.919 20 10 GHCDHM [O-]c1cccc(Br)c1CN1CCN(Cc2ccccc2F)CC1 ZINC001140100998 1026879082 /nfs/dbraw/zinc/87/90/82/1026879082.db2.gz IJARNLODDVTJOZ-UHFFFAOYSA-N -1 3 379.273 3.612 20 10 GHCDHM CN(Cc1cncc(Br)c1)Cc1c([O-])cccc1Br ZINC001140100538 1026879497 /nfs/dbraw/zinc/87/94/97/1026879497.db2.gz STHDSAKIVKSXCH-UHFFFAOYSA-N -1 3 386.087 3.944 20 10 GHCDHM [O-]c1cccc(Br)c1CN1CC[C@H](N2CCCCC2)C(F)(F)C1 ZINC001140102234 1026882711 /nfs/dbraw/zinc/88/27/11/1026882711.db2.gz MRLUVNDFONJFLQ-INIZCTEOSA-N -1 3 389.284 3.850 20 10 GHCDHM O=C(NC1CCC1)[C@H]1CC12CCN(Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC001203579721 1027447246 /nfs/dbraw/zinc/44/72/46/1027447246.db2.gz RWWNXELJAHMJLS-OAHLLOKOSA-N -1 3 383.319 3.970 20 10 GHCDHM COc1c([O-])c(CNCc2cc(C)ccc2Br)ccc1[N+](=O)[O-] ZINC000840963228 1027998470 /nfs/dbraw/zinc/99/84/70/1027998470.db2.gz IVUDJHCHZHBTDP-UHFFFAOYSA-N -1 3 381.226 3.670 20 10 GHCDHM CC(C)Oc1ccc(S(=O)(=O)NCc2c([O-])cccc2F)c2ccccc12 ZINC001213797412 1028382048 /nfs/dbraw/zinc/38/20/48/1028382048.db2.gz BBEYNBSQXHJVMS-UHFFFAOYSA-N -1 3 389.448 3.950 20 10 GHCDHM O=C([O-])C[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cccs1 ZINC000841800546 1028945992 /nfs/dbraw/zinc/94/59/92/1028945992.db2.gz GOYZDFAWUJKBEP-HNNXBMFYSA-N -1 3 389.477 3.952 20 10 GHCDHM [O-]c1cc(F)c(F)cc1CN1CCN(c2ccc(Br)cc2)CC1 ZINC001142513088 1029017033 /nfs/dbraw/zinc/01/70/33/1029017033.db2.gz XCSYNECSFROMPQ-UHFFFAOYSA-N -1 3 383.236 3.755 20 10 GHCDHM [O-]c1c(O)cccc1-c1nc(-c2ccc(-n3cc(Br)cn3)cc2)no1 ZINC001215145918 1029058754 /nfs/dbraw/zinc/05/87/54/1029058754.db2.gz RAOSZJHHPWMXJK-UHFFFAOYSA-N -1 3 399.204 3.763 20 10 GHCDHM Cc1ccc(CNC(=O)NCc2c([O-])cccc2F)c(OCC(F)(F)F)c1 ZINC001223545057 1030628561 /nfs/dbraw/zinc/62/85/61/1030628561.db2.gz HQCYPFCJDOXNDC-UHFFFAOYSA-N -1 3 386.345 3.780 20 10 GHCDHM O=C1CC[C@@H]2[C@@H](CCN2Cc2cc(Cl)cc(F)c2[O-])N1CCC(F)(F)F ZINC001277386828 1033477463 /nfs/dbraw/zinc/47/74/63/1033477463.db2.gz CIVVADFROMEANB-ZIAGYGMSSA-N -1 3 394.796 3.702 20 10 GHCDHM O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)c1cccc(O)c1[O-] ZINC001159271027 1034514626 /nfs/dbraw/zinc/51/46/26/1034514626.db2.gz NZQZRFXWJMMXBN-UHFFFAOYSA-N -1 3 392.786 3.687 20 10 GHCDHM CC(C)[C@@H]1CN(Cc2cc(Cl)c([O-])cc2O)CCN1C(=O)OC(C)(C)C ZINC001232257920 1037979516 /nfs/dbraw/zinc/97/95/16/1037979516.db2.gz MMAGWRJCNMQLKQ-HNNXBMFYSA-N -1 3 384.904 3.829 20 10 GHCDHM COc1cc([O-])c(CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1Cl ZINC001232267909 1037990133 /nfs/dbraw/zinc/99/01/33/1037990133.db2.gz JRMSVSHQUWVJCW-UHFFFAOYSA-N -1 3 381.259 3.556 20 10 GHCDHM CCOC(=O)c1sc(-c2ccc([O-])c(CN3C[C@@H](C)O[C@H](C)C3)c2)nc1C ZINC001232451694 1038234895 /nfs/dbraw/zinc/23/48/95/1038234895.db2.gz VXZBNYKOCIZWNR-CHWSQXEVSA-N -1 3 390.505 3.610 20 10 GHCDHM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])CC12CC2 ZINC001233416129 1039272564 /nfs/dbraw/zinc/27/25/64/1039272564.db2.gz WXSOOMSPVWXCJN-CQSZACIVSA-N -1 3 386.414 3.900 20 10 GHCDHM COc1ccc(O[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3[O-])C2)nc1 ZINC001233419943 1039282618 /nfs/dbraw/zinc/28/26/18/1039282618.db2.gz SHLDYJQKHVREPY-HNNXBMFYSA-N -1 3 382.382 3.858 20 10 GHCDHM [O-]c1cc(C(F)(F)F)ccc1CN1CCn2cnc(COCC3CC3)c2C1 ZINC001233453203 1039341554 /nfs/dbraw/zinc/34/15/54/1039341554.db2.gz YSRCOAOMBMPDPN-UHFFFAOYSA-N -1 3 381.398 3.550 20 10 GHCDHM CC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001254346727 1040180287 /nfs/dbraw/zinc/18/02/87/1040180287.db2.gz SCDPRFKZNVRHNN-NSHDSACASA-N -1 3 383.279 3.760 20 10 GHCDHM O=c1c2cc(O)c(O)cc2oc2cc([O-])cc(O[C@@H](c3cccnc3)C3CC3)c12 ZINC001234750215 1040277248 /nfs/dbraw/zinc/27/72/48/1040277248.db2.gz APKJICKZDYDQSI-JOCHJYFZSA-N -1 3 391.379 3.988 20 10 GHCDHM O=C(NC1CCN(Cc2cc(F)cc(F)c2[O-])CC1)OCc1ccccc1 ZINC001462515692 1070319127 /nfs/dbraw/zinc/31/91/27/1070319127.db2.gz NMCBKTRUFKULEC-UHFFFAOYSA-N -1 3 376.403 3.561 20 10 GHCDHM CC(C)(C)OC(=O)Nc1ccc(CNC(=O)NCc2c([O-])cccc2F)cc1 ZINC001256411232 1041721786 /nfs/dbraw/zinc/72/17/86/1041721786.db2.gz DZHUXAKIFOKJGO-UHFFFAOYSA-N -1 3 389.427 3.878 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCN(Cc3ccccc3)CC2)c1 ZINC001236662401 1041809973 /nfs/dbraw/zinc/80/99/73/1041809973.db2.gz DLWBEGQZPWHWJA-UHFFFAOYSA-N -1 3 375.310 3.781 20 10 GHCDHM CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(C)cc(Br)c1[O-] ZINC001236668942 1041816213 /nfs/dbraw/zinc/81/62/13/1041816213.db2.gz KCNDYJUJMXTRMA-NOLJZWGESA-N -1 3 382.298 3.627 20 10 GHCDHM O=C(NC1CCC1)[C@@H]1CC12CCN(Cc1cc(Cl)c(Cl)cc1[O-])CC2 ZINC001236794157 1041898146 /nfs/dbraw/zinc/89/81/46/1041898146.db2.gz SQJUQDDDTBPRJF-AWEZNQCLSA-N -1 3 383.319 3.970 20 10 GHCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001236794696 1041899112 /nfs/dbraw/zinc/89/91/12/1041899112.db2.gz UGDAGUQUYHGRQL-OLZOCXBDSA-N -1 3 376.177 3.926 20 10 GHCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001236794701 1041899427 /nfs/dbraw/zinc/89/94/27/1041899427.db2.gz UGDAGUQUYHGRQL-QWHCGFSZSA-N -1 3 376.177 3.926 20 10 GHCDHM COc1ccc(N2CCN(Cc3c([O-])cc(OC)cc3Cl)CC2)c(C)c1 ZINC001236805110 1041906451 /nfs/dbraw/zinc/90/64/51/1041906451.db2.gz FCFIXILVKYCVKL-UHFFFAOYSA-N -1 3 376.884 3.693 20 10 GHCDHM O=C1c2cccc(F)c2CN1[C@@H]1CCCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237128497 1042055228 /nfs/dbraw/zinc/05/52/28/1042055228.db2.gz PUIBCUOEVYLLQY-GFCCVEGCSA-N -1 3 392.833 3.944 20 10 GHCDHM O=C(NC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1)c1cccc(F)c1 ZINC001237623502 1042289823 /nfs/dbraw/zinc/28/98/23/1042289823.db2.gz OOCPKNYVIVXKGZ-UHFFFAOYSA-N -1 3 380.822 3.718 20 10 GHCDHM CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(Br)c(C)cc1[O-] ZINC001237681005 1042321730 /nfs/dbraw/zinc/32/17/30/1042321730.db2.gz GHLDCBAXNMBGTI-JDFRZJQESA-N -1 3 382.298 3.627 20 10 GHCDHM CCOCc1cnc2n1CCN(Cc1cc(Br)c(C)cc1[O-])[C@H]2C ZINC001237684407 1042324532 /nfs/dbraw/zinc/32/45/32/1042324532.db2.gz UZQAAEHZFNCDKA-ZDUSSCGKSA-N -1 3 394.313 3.773 20 10 GHCDHM C[C@H]1Cc2ccccc2CN1Cc1cccc(I)c1[O-] ZINC001237783276 1042366316 /nfs/dbraw/zinc/36/63/16/1042366316.db2.gz JLIKOAAORHWNHY-LBPRGKRZSA-N -1 3 379.241 3.944 20 10 GHCDHM [O-]c1c(Cl)cc(F)cc1CN1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001237800202 1042376476 /nfs/dbraw/zinc/37/64/76/1042376476.db2.gz MFLDSKXIGNEBRY-AEFFLSMTSA-N -1 3 394.849 3.661 20 10 GHCDHM [O-]c1c(Cl)cc(F)cc1CN1CCC2(C[C@@H](c3cncnc3)CO2)CC1 ZINC001237800221 1042376509 /nfs/dbraw/zinc/37/65/09/1042376509.db2.gz MZDFHBIKBAZTDU-CQSZACIVSA-N -1 3 377.847 3.513 20 10 GHCDHM O=C1N(c2cccc(F)c2)CC12CCN(Cc1cc(F)cc(Cl)c1[O-])CC2 ZINC001237815073 1042382860 /nfs/dbraw/zinc/38/28/60/1042382860.db2.gz VIVDWYLQYFDJGG-UHFFFAOYSA-N -1 3 392.833 3.953 20 10 GHCDHM O=C1Nc2ccccc2CN1[C@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237939931 1042430103 /nfs/dbraw/zinc/43/01/03/1042430103.db2.gz HZPNHCWBIRLZIE-AWEZNQCLSA-N -1 3 375.831 3.807 20 10 GHCDHM COC(=O)c1cnc(SCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)[n-]1 ZINC001307332119 1049207382 /nfs/dbraw/zinc/20/73/82/1049207382.db2.gz JPPFCSKKGAWJGE-UHFFFAOYSA-N -1 3 383.473 3.887 20 10 GHCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1nccc(Cl)c1Cl ZINC001307539251 1049382612 /nfs/dbraw/zinc/38/26/12/1049382612.db2.gz MDLAYKSOFSDAFX-UHFFFAOYSA-N -1 3 389.666 3.923 20 10 GHCDHM CC(C)(NCc1c([O-])cccc1Br)c1cn(-c2ccccc2)nn1 ZINC001308308575 1049945026 /nfs/dbraw/zinc/94/50/26/1049945026.db2.gz YIDMHTZQEGFANC-UHFFFAOYSA-N -1 3 387.281 3.760 20 10 GHCDHM O=C(CCCc1ccccc1)N[C@@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001308758057 1050084891 /nfs/dbraw/zinc/08/48/91/1050084891.db2.gz LJNUIYHKGARYFV-GOSISDBHSA-N -1 3 388.458 3.774 20 10 GHCDHM CC(C)Cn1c(-c2sc3ncccc3c2[O-])nnc1N1C[C@H]2[C@@H](C1)C2(F)F ZINC001343436622 1053768982 /nfs/dbraw/zinc/76/89/82/1053768982.db2.gz BRZRXJGDYJRSRT-TXEJJXNPSA-N -1 3 391.447 3.618 20 10 GHCDHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(N3CCN(C)CC3)c(F)c2)CC)n1 ZINC001344083802 1054234441 /nfs/dbraw/zinc/23/44/41/1054234441.db2.gz NEVXWKYNYNVCNC-GHRIWEEISA-N -1 3 384.499 3.564 20 10 GHCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@@](C)(C(F)(F)F)C1 ZINC001338589119 1058663037 /nfs/dbraw/zinc/66/30/37/1058663037.db2.gz QDLITAXMZDPPHT-OAHLLOKOSA-N -1 3 383.399 3.576 20 10 GHCDHM C[C@H](C1CC1)N(C)c1nnc(-c2sc3ncccc3c2[O-])n1C[C@@H]1CCOC1 ZINC001348910000 1063394275 /nfs/dbraw/zinc/39/42/75/1063394275.db2.gz HKCFNWKERBJRBQ-OLZOCXBDSA-N -1 3 399.520 3.532 20 10 GHCDHM CC[C@H]1CCN(c2nnc(-c3sc4ncccc4c3[O-])n2C[C@@H]2CCOC2)C1 ZINC001348913967 1063400146 /nfs/dbraw/zinc/40/01/46/1063400146.db2.gz XSGYQHPCNTWTHY-KBPBESRZSA-N -1 3 399.520 3.533 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)OC(C)(C)C)CCC2(C)C)c1[O-] ZINC001460650476 1069057669 /nfs/dbraw/zinc/05/76/69/1069057669.db2.gz KACKOLYGRKOSAM-UHFFFAOYSA-N -1 3 394.487 3.955 20 10 GHCDHM Cc1cc(F)ccc1C=C1SC(=S)N(c2ccccc2-c2nnn[n-]2)C1=O ZINC000737263679 598288702 /nfs/dbraw/zinc/28/87/02/598288702.db2.gz NWYYXPKGWHYSBH-OQLLNIDSSA-N -1 3 397.460 3.720 20 10 GHCDHM Cc1cc(F)ccc1C=C1SC(=S)N(c2ccccc2-c2nn[n-]n2)C1=O ZINC000737263679 598288704 /nfs/dbraw/zinc/28/87/04/598288704.db2.gz NWYYXPKGWHYSBH-OQLLNIDSSA-N -1 3 397.460 3.720 20 10 GHCDHM Cc1cc(C(=O)N(C)Cc2cccs2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737228333 598610609 /nfs/dbraw/zinc/61/06/09/598610609.db2.gz WLXMUWXHZYJIHY-UHFFFAOYSA-N -1 3 392.488 3.608 20 10 GHCDHM Cc1cc(C(=O)Nc2ccc(Cl)nc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236305 598815773 /nfs/dbraw/zinc/81/57/73/598815773.db2.gz HWFCWSPHUSYPFI-UHFFFAOYSA-N -1 3 393.838 3.575 20 10 GHCDHM Clc1cccc(-c2nnn[n-]2)c1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000822581122 599467968 /nfs/dbraw/zinc/46/79/68/599467968.db2.gz BLCYTRCTPLBSJR-UHFFFAOYSA-N -1 3 377.839 3.690 20 10 GHCDHM Clc1cccc(-c2nn[n-]n2)c1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000822581122 599467970 /nfs/dbraw/zinc/46/79/70/599467970.db2.gz BLCYTRCTPLBSJR-UHFFFAOYSA-N -1 3 377.839 3.690 20 10 GHCDHM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)cc3F)SC2=S)cc1 ZINC000822241489 607456640 /nfs/dbraw/zinc/45/66/40/607456640.db2.gz XYYOPKDUHNXEHB-DHDCSXOGSA-N -1 3 397.460 3.720 20 10 GHCDHM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)cc3F)SC2=S)cc1 ZINC000822241489 607456641 /nfs/dbraw/zinc/45/66/41/607456641.db2.gz XYYOPKDUHNXEHB-DHDCSXOGSA-N -1 3 397.460 3.720 20 10 GHCDHM O=C([O-])N[C@@H]1C[C@H](NCc2ccc(N3CCSCC3)cc2)c2ccccc21 ZINC000834158453 605792871 /nfs/dbraw/zinc/79/28/71/605792871.db2.gz NSGHBTCKSOQWRK-VQTJNVASSA-N -1 3 383.517 3.783 20 10 GHCDHM CCc1cccc(N2C(=O)C(=Cc3cc(-c4nnn[n-]4)cs3)SC2=S)c1 ZINC000821492488 606336456 /nfs/dbraw/zinc/33/64/56/606336456.db2.gz OBEURLPKOPMDOD-RIYZIHGNSA-N -1 3 399.526 3.896 20 10 GHCDHM CCc1cccc(N2C(=O)C(=Cc3cc(-c4nn[n-]n4)cs3)SC2=S)c1 ZINC000821492488 606336457 /nfs/dbraw/zinc/33/64/57/606336457.db2.gz OBEURLPKOPMDOD-RIYZIHGNSA-N -1 3 399.526 3.896 20 10 GHCDHM CC(C)(C)c1cnc(SCCC(=O)Nc2cccc(-c3nnn[n-]3)c2)s1 ZINC000819965301 607120391 /nfs/dbraw/zinc/12/03/91/607120391.db2.gz ALOGCDBXVGTBRL-UHFFFAOYSA-N -1 3 388.522 3.742 20 10 GHCDHM CC(C)(C)c1cnc(SCCC(=O)Nc2cccc(-c3nn[n-]n3)c2)s1 ZINC000819965301 607120392 /nfs/dbraw/zinc/12/03/92/607120392.db2.gz ALOGCDBXVGTBRL-UHFFFAOYSA-N -1 3 388.522 3.742 20 10 GHCDHM COC(=O)CN(Cc1cnc(-c2ccco2)s1)Cc1cc(Cl)ccc1[O-] ZINC000194390417 840288143 /nfs/dbraw/zinc/28/81/43/840288143.db2.gz WTBXREBGFSIVFW-UHFFFAOYSA-N -1 3 392.864 3.937 20 10 GHCDHM COc1c([O-])c(CNc2ccccc2N2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278863070 843077515 /nfs/dbraw/zinc/07/75/15/843077515.db2.gz MCDFDAFGWMMXMH-KBPBESRZSA-N -1 3 387.436 3.535 20 10 GHCDHM COc1c([O-])c(CNc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)ccc1[N+](=O)[O-] ZINC000278902271 843652211 /nfs/dbraw/zinc/65/22/11/843652211.db2.gz RERBGAAJVBEOQP-ROUUACIJSA-N -1 3 388.420 3.603 20 10 GHCDHM COc1ccccc1-c1noc([C@H](C)NCc2cc(F)cc(C(C)=O)c2[O-])n1 ZINC000273425632 847334911 /nfs/dbraw/zinc/33/49/11/847334911.db2.gz WJPYXJVVRXCYLB-NSHDSACASA-N -1 3 385.395 3.643 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2ccc(OC(C)C)c(C(N)=O)c2)c1 ZINC000793380420 882141056 /nfs/dbraw/zinc/14/10/56/882141056.db2.gz JOBNHODVCOJIFE-UHFFFAOYSA-N -1 3 393.281 3.961 20 10 GHCDHM [O-]c1c(F)cc(Cl)cc1CN[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000793349132 882143911 /nfs/dbraw/zinc/14/39/11/882143911.db2.gz QBPKWAAUTKTTAK-ZDUSSCGKSA-N -1 3 379.737 3.907 20 10 GHCDHM O=C(Nc1cccc(CNCc2cc([N+](=O)[O-])ccc2[O-])c1)c1cccc(F)c1 ZINC000101593856 872116774 /nfs/dbraw/zinc/11/67/74/872116774.db2.gz HLJAMCJYLRXHKW-UHFFFAOYSA-N -1 3 395.390 3.982 20 10 GHCDHM CCN(C)c1ccc([C@@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000182734959 872736902 /nfs/dbraw/zinc/73/69/02/872736902.db2.gz VFWHHVNZIIGPKQ-CQSZACIVSA-N -1 3 377.510 3.696 20 10 GHCDHM O=[N+]([O-])c1cc(Cl)cc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1[O-] ZINC000768162139 873122586 /nfs/dbraw/zinc/12/25/86/873122586.db2.gz MAXAQOGWKZGGHZ-MRXNPFEDSA-N -1 3 392.839 3.841 20 10 GHCDHM O=[N+]([O-])c1cc(Cl)cc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1[O-] ZINC000768162139 873122592 /nfs/dbraw/zinc/12/25/92/873122592.db2.gz MAXAQOGWKZGGHZ-MRXNPFEDSA-N -1 3 392.839 3.841 20 10 GHCDHM [O-]c1ccc(Br)cc1CN1CCN(c2ccc(Cl)cn2)CC1 ZINC000768252284 873192935 /nfs/dbraw/zinc/19/29/35/873192935.db2.gz IOZVHWVMABQNJK-UHFFFAOYSA-N -1 3 382.689 3.525 20 10 GHCDHM COC(=O)CN(Cc1c[nH]nc1-c1cccc(C)c1)Cc1cc(Cl)ccc1[O-] ZINC000769379677 874006522 /nfs/dbraw/zinc/00/65/22/874006522.db2.gz DHZMRQWIUUIGQW-UHFFFAOYSA-N -1 3 399.878 3.919 20 10 GHCDHM COC(=O)CN(C/C=C\c1ccccc1[N+](=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000769382251 874009951 /nfs/dbraw/zinc/00/99/51/874009951.db2.gz WMANFEYODVSOTQ-XQRVVYSFSA-N -1 3 390.823 3.642 20 10 GHCDHM Cc1nc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)sc1C ZINC000770628927 874805579 /nfs/dbraw/zinc/80/55/79/874805579.db2.gz GYAVUMDBNJLMGY-OAHLLOKOSA-N -1 3 379.913 3.513 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cc(OC(F)F)ccn1 ZINC001199313473 874907176 /nfs/dbraw/zinc/90/71/76/874907176.db2.gz YXYXSGJLKUAYHW-UHFFFAOYSA-N -1 3 379.750 3.520 20 10 GHCDHM CCc1nc(C)c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)s1 ZINC000771058788 875014057 /nfs/dbraw/zinc/01/40/57/875014057.db2.gz NYVBPNCBUUJAQE-OAHLLOKOSA-N -1 3 393.940 3.767 20 10 GHCDHM C[C@@](O)(C1CCN(Cc2ccc(Br)cc2[O-])CC1)C(F)(F)F ZINC000825529788 875033488 /nfs/dbraw/zinc/03/34/88/875033488.db2.gz GTIAUYPIUQUADE-CQSZACIVSA-N -1 3 382.220 3.680 20 10 GHCDHM CN1CCO[C@H]([C@H](NCc2cc(Cl)cc(F)c2[O-])c2ccc(Cl)cc2)C1 ZINC000776253216 876033610 /nfs/dbraw/zinc/03/36/10/876033610.db2.gz LCZCHLLUNQJHLK-ZWKOTPCHSA-N -1 3 399.293 4.000 20 10 GHCDHM C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000786828341 876948329 /nfs/dbraw/zinc/94/83/29/876948329.db2.gz UVOFOMGTBXYRRX-MRXNPFEDSA-N -1 3 386.467 3.568 20 10 GHCDHM C[C@]1(O)CCCCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC001203562202 912381051 /nfs/dbraw/zinc/38/10/51/912381051.db2.gz DYAWGGPZSIJNRD-AWEZNQCLSA-N -1 3 393.119 3.654 20 10 GHCDHM CC[C@H](Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1)c1ccc(F)cc1[O-] ZINC000285897938 912490815 /nfs/dbraw/zinc/49/08/15/912490815.db2.gz BFUUITRWWKIGRG-ACJLOTCBSA-N -1 3 383.427 3.886 20 10 GHCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000790559463 879817736 /nfs/dbraw/zinc/81/77/36/879817736.db2.gz NBWHQJLDZJTVMR-ZDUSSCGKSA-N -1 3 394.402 3.980 20 10 GHCDHM CN(C)[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-])c1ccsc1 ZINC000804903304 883467328 /nfs/dbraw/zinc/46/73/28/883467328.db2.gz JJBUUTGSNLKQBS-AWEZNQCLSA-N -1 3 388.320 3.863 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC(Cc3nc(C4CCC4)no3)CC2)c1[O-] ZINC000859896987 884162291 /nfs/dbraw/zinc/16/22/91/884162291.db2.gz XPQIPUVLRASESV-UHFFFAOYSA-N -1 3 387.455 3.839 20 10 GHCDHM CC(C)c1nccc([C@@H]2C[C@@H]3CCN(Cc4cc(F)c(F)cc4[O-])C[C@H]3O2)n1 ZINC001142512665 884368588 /nfs/dbraw/zinc/36/85/88/884368588.db2.gz HOAKWJNSMKMKJT-QTJFZDIUSA-N -1 3 389.446 3.936 20 10 GHCDHM Cc1ccc(N2C[C@@]3(CCN(Cc4cc(F)c(F)cc4[O-])C3)CC2=O)s1 ZINC001142520178 884474460 /nfs/dbraw/zinc/47/44/60/884474460.db2.gz CRSSJABHGNEIMD-IBGZPJMESA-N -1 3 378.444 3.669 20 10 GHCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])N[C@H]1CCN(Cc2ccccc2)C1 ZINC000806310056 884554439 /nfs/dbraw/zinc/55/44/39/884554439.db2.gz QHGWBRYNUVTKTP-INIZCTEOSA-N -1 3 394.302 3.773 20 10 GHCDHM Cc1noc(C(F)F)c1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000761981039 885085801 /nfs/dbraw/zinc/08/58/01/885085801.db2.gz FQOQRLDGRXKGAE-CYBMUJFWSA-N -1 3 399.825 3.674 20 10 GHCDHM COCCOc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1Cl ZINC000808066675 885969922 /nfs/dbraw/zinc/96/99/22/885969922.db2.gz XIZVQVXUVJLCED-UHFFFAOYSA-N -1 3 392.260 3.525 20 10 GHCDHM CCC1(NC(=O)OC(C)(C)C)CCN(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000924005558 886476426 /nfs/dbraw/zinc/47/64/26/886476426.db2.gz PZZLIGYQPPBTEO-UHFFFAOYSA-N -1 3 395.475 3.510 20 10 GHCDHM C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1cccc(O)c1[O-] ZINC000863368924 887063168 /nfs/dbraw/zinc/06/31/68/887063168.db2.gz OJHRNUFMLFCTCY-WCQYABFASA-N -1 3 376.250 3.879 20 10 GHCDHM CCOC(=O)c1c(C)onc1CN(CC)Cc1cc(Br)ccc1[O-] ZINC000809950574 888016707 /nfs/dbraw/zinc/01/67/07/888016707.db2.gz LGHQWQJEAXLMPU-UHFFFAOYSA-N -1 3 397.269 3.650 20 10 GHCDHM C[C@@H](N[C@H](CO)c1ccccc1OC(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000794842669 888422818 /nfs/dbraw/zinc/42/28/18/888422818.db2.gz SBACQMSUXWQERH-YMTOWFKASA-N -1 3 377.309 3.953 20 10 GHCDHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)cc1 ZINC000811702457 889907403 /nfs/dbraw/zinc/90/74/03/889907403.db2.gz BJYSWUMKTPABLK-UHFFFAOYSA-N -1 3 379.478 3.907 20 10 GHCDHM CCOC(=O)c1cc2c(NCc3cc(Cl)c4cccnc4c3[O-])cc[nH]c-2n1 ZINC001168523564 893268116 /nfs/dbraw/zinc/26/81/16/893268116.db2.gz PLWOLGBBGHAMHK-UHFFFAOYSA-N -1 3 396.834 3.681 20 10 GHCDHM CS(=O)(=O)c1ccc(CNCc2cc(Cl)c(F)cc2[O-])cc1Cl ZINC000816591935 894936698 /nfs/dbraw/zinc/93/66/98/894936698.db2.gz RWJGJZBUKJNXRJ-UHFFFAOYSA-N -1 3 378.252 3.531 20 10 GHCDHM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000817882027 895947694 /nfs/dbraw/zinc/94/76/94/895947694.db2.gz VFYHTYWIVSKWRO-GOEBONIOSA-N -1 3 395.341 3.982 20 10 GHCDHM COC(=O)[C@@H](NCc1cc(Cl)ccc1[O-])c1ccc(Br)cc1 ZINC000779174999 905123535 /nfs/dbraw/zinc/12/35/35/905123535.db2.gz RSSBDUXNCFZBAE-HNNXBMFYSA-N -1 3 384.657 3.812 20 10 GHCDHM CCS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000284412688 911854811 /nfs/dbraw/zinc/85/48/11/911854811.db2.gz QPRXXMIFUBNKJB-CHWSQXEVSA-N -1 3 378.450 3.506 20 10 GHCDHM COc1c([O-])c(CNc2ccc(N(C(C)=O)[C@@H]3C[C@H]3C)cc2)ccc1[N+](=O)[O-] ZINC000294225478 916661134 /nfs/dbraw/zinc/66/11/34/916661134.db2.gz YZTFFFCAGICNKN-KZULUSFZSA-N -1 3 385.420 3.682 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1nccnc1-c1ccccc1 ZINC001191478946 918012911 /nfs/dbraw/zinc/01/29/11/918012911.db2.gz QXUUKJHWPDKCFU-UHFFFAOYSA-N -1 3 390.830 3.981 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1[O-] ZINC000750047287 927403894 /nfs/dbraw/zinc/40/38/94/927403894.db2.gz MKKNSOROBBBEFJ-SJKOYZFVSA-N -1 3 396.915 3.983 20 10 GHCDHM COc1ccccc1CN(Cc1cc(F)cc(C(C)=O)c1[O-])C[C@H]1CCCO1 ZINC000750819431 927872789 /nfs/dbraw/zinc/87/27/89/927872789.db2.gz AYXHXCCLLWJEIF-LJQANCHMSA-N -1 3 387.451 3.924 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c1[O-] ZINC000752079947 928596144 /nfs/dbraw/zinc/59/61/44/928596144.db2.gz UHXKBYWMUOGNNU-GXTWGEPZSA-N -1 3 396.915 3.983 20 10 GHCDHM COC(=O)COc1ccc(N(C)Cc2cc(C)cc(Br)c2[O-])cc1 ZINC000753590708 929433829 /nfs/dbraw/zinc/43/38/29/929433829.db2.gz BEORYFVVCVDUHX-UHFFFAOYSA-N -1 3 394.265 3.651 20 10 GHCDHM C[C@H](N[C@@H](CCO)c1ccccc1Br)c1cc([N+](=O)[O-])ccc1[O-] ZINC000757636138 929753533 /nfs/dbraw/zinc/75/35/33/929753533.db2.gz CFWYHYAKULKJHL-ZBEGNZNMSA-N -1 3 395.253 3.837 20 10 GHCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC(OC2CCCC2)CC1 ZINC001121460329 934663370 /nfs/dbraw/zinc/66/33/70/934663370.db2.gz FPIPSDNWSQNYCV-UHFFFAOYSA-N -1 3 399.520 3.725 20 10 GHCDHM CCN(c1nnc(-c2sc3ncccc3c2[O-])n1C[C@@H]1CCOC1)C(C)C ZINC001123031109 935061643 /nfs/dbraw/zinc/06/16/43/935061643.db2.gz QFIHAUWIFMJLSJ-ZDUSSCGKSA-N -1 3 387.509 3.532 20 10 GHCDHM CC(C)Oc1ccc([C@H](C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])N(C)C)cc1 ZINC001591777008 975930906 /nfs/dbraw/zinc/93/09/06/975930906.db2.gz WRMXQCBLOQQPBH-YWZLYKJASA-N -1 3 386.492 3.831 20 10 GHCDHM CC(C)n1ncc2c1[C@H](NCc1c3cc(F)ccc3n(C)c1C(=O)[O-])CCC2 ZINC001592158607 977038903 /nfs/dbraw/zinc/03/89/03/977038903.db2.gz SZUXDOWQBJNHLT-QGZVFWFLSA-N -1 3 384.455 3.960 20 10 GHCDHM COc1ccc([C@@H](C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])N2CCCC2)cc1 ZINC001599515022 997367737 /nfs/dbraw/zinc/36/77/37/997367737.db2.gz CHDRJHGOUVOPEO-FOIQADDNSA-N -1 3 384.476 3.587 20 10 GHCDHM Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCc1c([O-])cccc1F ZINC001156164298 1032908734 /nfs/dbraw/zinc/90/87/34/1032908734.db2.gz VKKQNFPHGGXMIT-UHFFFAOYSA-N -1 3 377.778 3.748 20 10 GHCDHM C[C@H](NCc1ncc(Br)cn1)c1cccc(C(F)(F)F)c1[O-] ZINC000903320348 1021592467 /nfs/dbraw/zinc/59/24/67/1021592467.db2.gz GDGANFLILYRCPL-QMMMGPOBSA-N -1 3 376.176 3.814 20 10 GHCDHM C[C@H](NCc1nn(C)cc1Br)c1cc(Br)ccc1[O-] ZINC000834882999 1021610760 /nfs/dbraw/zinc/61/07/60/1021610760.db2.gz GAHQHMRZYMSVNQ-QMMMGPOBSA-N -1 3 389.091 3.502 20 10 GHCDHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)c1 ZINC000755984776 1023465216 /nfs/dbraw/zinc/46/52/16/1023465216.db2.gz KWBUQLVKTKUKNB-UHFFFAOYSA-N -1 3 377.462 3.720 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2nccn2CCCc2ccccc2)c1 ZINC000756650272 1023753834 /nfs/dbraw/zinc/75/38/34/1023753834.db2.gz VGNKZWNAFKUWTB-KRWDZBQOSA-N -1 3 393.487 3.859 20 10 GHCDHM [O-]c1cccnc1CN1CCN(c2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC001138396455 1024774175 /nfs/dbraw/zinc/77/41/75/1024774175.db2.gz ANFPCUQYOHGPAN-UHFFFAOYSA-N -1 3 386.455 3.918 20 10 GHCDHM Cc1cncc(COCc2cnc3n2CCN(Cc2cc(F)ccc2[O-])[C@H]3C)c1 ZINC001140055530 1026835768 /nfs/dbraw/zinc/83/57/68/1026835768.db2.gz JSDRLOXJLBGEEQ-INIZCTEOSA-N -1 3 396.466 3.725 20 10 GHCDHM COCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCCC(C)C)cc1 ZINC000840916010 1027952956 /nfs/dbraw/zinc/95/29/56/1027952956.db2.gz VNNBXWHDZJVJDO-UHFFFAOYSA-N -1 3 379.478 3.764 20 10 GHCDHM COC(=O)N1CCN(c2ccc(N[C@H](C)c3ccc(Cl)cc3[O-])cn2)CC1 ZINC000841758310 1028916002 /nfs/dbraw/zinc/91/60/02/1028916002.db2.gz SGRQCDBWTARUSS-CYBMUJFWSA-N -1 3 390.871 3.502 20 10 GHCDHM CCOc1ccc(Br)cc1-c1noc(-c2cccc(O)c2[O-])n1 ZINC001215145681 1029058976 /nfs/dbraw/zinc/05/89/76/1029058976.db2.gz BOSQZDJDXICOGO-UHFFFAOYSA-N -1 3 377.194 3.976 20 10 GHCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cc(Br)ccc2Cl)no1 ZINC001215325415 1029153509 /nfs/dbraw/zinc/15/35/09/1029153509.db2.gz RLZGZOUCNUFNQQ-UHFFFAOYSA-N -1 3 383.585 3.936 20 10 GHCDHM [O-]c1c(O)cc(-c2nc(-c3cc(F)c(Br)cc3F)no2)cc1O ZINC001215327805 1029156070 /nfs/dbraw/zinc/15/60/70/1029156070.db2.gz UVKPHKRTRHGZIH-UHFFFAOYSA-N -1 3 385.120 3.561 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)Nc1cc(F)c(Br)c(F)c1 ZINC001216400189 1029627043 /nfs/dbraw/zinc/62/70/43/1029627043.db2.gz LQZJRUROQLLBCN-UHFFFAOYSA-N -1 3 375.144 3.894 20 10 GHCDHM COC(=O)CC[C@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001207414281 1034351311 /nfs/dbraw/zinc/35/13/11/1034351311.db2.gz DZTIBQJVWUTQKO-LLVKDONJSA-N -1 3 390.705 3.973 20 10 GHCDHM COc1ccc(NCc2cc(F)c(F)cc2[O-])c(I)c1 ZINC001462185492 1070064467 /nfs/dbraw/zinc/06/44/67/1070064467.db2.gz WHMYWSZGXNYEII-UHFFFAOYSA-N -1 3 391.155 3.896 20 10 GHCDHM CCOC(=O)c1sc(-c2ccc([O-])c(CN3C[C@@H](C)OC[C@@H]3C)c2)nc1C ZINC001232455322 1038240486 /nfs/dbraw/zinc/24/04/86/1038240486.db2.gz YPVXAIHOJJYRRL-QWHCGFSZSA-N -1 3 390.505 3.610 20 10 GHCDHM CCOC(=O)C[C@@H]1CCN(Cc2c([O-])cc(Br)cc2F)C[C@@H]1C ZINC001233033440 1038788651 /nfs/dbraw/zinc/78/86/51/1038788651.db2.gz OBCCAEFYLPIDNN-RYUDHWBXSA-N -1 3 388.277 3.705 20 10 GHCDHM [O-]c1c(F)c(F)ccc1CN1CC(c2ncn3cc(Br)ccc23)C1 ZINC001233078347 1038844632 /nfs/dbraw/zinc/84/46/32/1038844632.db2.gz RUKFPAXGSAXFHP-UHFFFAOYSA-N -1 3 394.219 3.680 20 10 GHCDHM COc1cc([O-])c(CN2CCc3cccc(OC)c3C2)cc1Br ZINC001233135194 1038916780 /nfs/dbraw/zinc/91/67/80/1038916780.db2.gz OGOSRYCEZDFKDX-UHFFFAOYSA-N -1 3 378.266 3.730 20 10 GHCDHM COc1cc([O-])c(CN2CCN(c3cccc(C)c3)CC2)cc1Br ZINC001233135063 1038916838 /nfs/dbraw/zinc/91/68/38/1038916838.db2.gz KTWHHZQEEMXJIT-UHFFFAOYSA-N -1 3 391.309 3.794 20 10 GHCDHM COc1cc([O-])c(CN2CC(Oc3ccc(F)cc3)C2)cc1Br ZINC001233140796 1038919547 /nfs/dbraw/zinc/91/95/47/1038919547.db2.gz UDLZPPNDJIRNLX-UHFFFAOYSA-N -1 3 382.229 3.566 20 10 GHCDHM CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3cccc(C(F)(F)F)c3[O-])C[C@@H]21 ZINC001233416386 1039272780 /nfs/dbraw/zinc/27/27/80/1039272780.db2.gz GNWKPXRXBUCOLK-WFASDCNBSA-N -1 3 386.414 3.852 20 10 GHCDHM O=C1CC[C@@H]2[C@@H](CCN2Cc2cc(Cl)c(Cl)cc2[O-])N1CC(F)F ZINC001277831108 1039829098 /nfs/dbraw/zinc/82/90/98/1039829098.db2.gz VNJBKBQHJYEBFV-CHWSQXEVSA-N -1 3 379.234 3.529 20 10 GHCDHM COc1c(O[C@@H](C)C2CCOCC2)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234127752 1039869441 /nfs/dbraw/zinc/86/94/41/1039869441.db2.gz UWEURLIQVXGTKR-ZDUSSCGKSA-N -1 3 396.439 3.679 20 10 GHCDHM [O-]c1ccc(-c2nnc(Cc3ccccc3Cl)o2)cc1CN1CCOCC1 ZINC001254407300 1040215037 /nfs/dbraw/zinc/21/50/37/1040215037.db2.gz USWLKAISWMVKHR-UHFFFAOYSA-N -1 3 385.851 3.519 20 10 GHCDHM C[C@@H](Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12)c1cccnc1F ZINC001234753789 1040282785 /nfs/dbraw/zinc/28/27/85/1040282785.db2.gz RIKBYHOPWYACFF-SECBINFHSA-N -1 3 383.331 3.737 20 10 GHCDHM CC(C)N1CC2(CC1=O)CCN(Cc1cc(F)cc(Br)c1[O-])CC2 ZINC001235309175 1040784240 /nfs/dbraw/zinc/78/42/40/1040784240.db2.gz UZBBDVXBSBMRNV-UHFFFAOYSA-N -1 3 399.304 3.517 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@@H](Oc3nccnc3C)C2)c1 ZINC001236671951 1041819515 /nfs/dbraw/zinc/81/95/15/1041819515.db2.gz ZRCWNCANKNUWFB-OAHLLOKOSA-N -1 3 392.297 3.605 20 10 GHCDHM COc1ccc(CN2CCN(Cc3ccc(F)cc3)C[C@H]2C)c([O-])c1Cl ZINC001236800633 1041902903 /nfs/dbraw/zinc/90/29/03/1041902903.db2.gz BQHJVWKNPIIQJJ-CQSZACIVSA-N -1 3 378.875 3.900 20 10 GHCDHM NC(=O)c1ccc(O[C@H]2CCCN(Cc3cc(Cl)c(Cl)cc3[O-])C2)cc1 ZINC001236802997 1041905295 /nfs/dbraw/zinc/90/52/95/1041905295.db2.gz LIGJEFNODAEGEP-HNNXBMFYSA-N -1 3 395.286 3.841 20 10 GHCDHM COc1ccc(CN2C[C@H](NC(=O)OC(C)(C)C)CC[C@H]2C)c([O-])c1Cl ZINC001236812256 1041912146 /nfs/dbraw/zinc/91/21/46/1041912146.db2.gz UIIBLEKIJRXZIX-TZMCWYRMSA-N -1 3 384.904 3.932 20 10 GHCDHM CCN(CC)c1ccnc([C@@H]2COCCN2Cc2cc3ccccc3cc2[O-])n1 ZINC001236841599 1041924875 /nfs/dbraw/zinc/92/48/75/1041924875.db2.gz LXEGAUNXXRNIDD-FQEVSTJZSA-N -1 3 392.503 3.755 20 10 GHCDHM O=C(NC1CCN(Cc2c([O-])ccc(F)c2Cl)CC1)c1ccc(F)cc1 ZINC001237127967 1042055236 /nfs/dbraw/zinc/05/52/36/1042055236.db2.gz KTGBNKNQBYSLBS-UHFFFAOYSA-N -1 3 380.822 3.718 20 10 GHCDHM C[C@]1(O)CCCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])CC1 ZINC001237784143 1042367175 /nfs/dbraw/zinc/36/71/75/1042367175.db2.gz QSSDRFJURNYNJR-AWEZNQCLSA-N -1 3 382.220 3.910 20 10 GHCDHM [O-]c1c(Cl)cc(F)cc1CN1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001237800205 1042376379 /nfs/dbraw/zinc/37/63/79/1042376379.db2.gz MFLDSKXIGNEBRY-SJLPKXTDSA-N -1 3 394.849 3.661 20 10 GHCDHM COCCOc1ccc(N2CCN(Cc3cc(F)c(Cl)cc3[O-])CC2)cc1 ZINC001237939343 1042429484 /nfs/dbraw/zinc/42/94/84/1042429484.db2.gz AVRHTINNDLHYJI-UHFFFAOYSA-N -1 3 394.874 3.532 20 10 GHCDHM COC(=O)c1cccc2c1n[n-]c2-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256946498 1043765731 /nfs/dbraw/zinc/76/57/31/1043765731.db2.gz DFXUQBABIQUVCQ-UHFFFAOYSA-N -1 3 385.383 3.857 20 10 GHCDHM COC(=O)c1cccc2c(-c3nnc(-c4ccc(-n5cccc5)cc4)o3)n[n-]c21 ZINC001256946498 1043765741 /nfs/dbraw/zinc/76/57/41/1043765741.db2.gz DFXUQBABIQUVCQ-UHFFFAOYSA-N -1 3 385.383 3.857 20 10 GHCDHM Cc1cc(CN2CC[C@H]3[C@@H]2CCN3Cc2c([O-])ccc(Cl)c2Cl)n(C)n1 ZINC001279676719 1047910827 /nfs/dbraw/zinc/91/08/27/1047910827.db2.gz NITVSVUGELNFTN-IRXDYDNUSA-N -1 3 395.334 3.590 20 10 GHCDHM CC(C)NC(=O)N1CC[C@]2(C1)CCCN(Cc1c([O-])ccc(F)c1Cl)C2 ZINC001279684720 1047913774 /nfs/dbraw/zinc/91/37/74/1047913774.db2.gz RDZNIAKYVZODPH-LJQANCHMSA-N -1 3 383.895 3.591 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC001310240311 1051243547 /nfs/dbraw/zinc/24/35/47/1051243547.db2.gz PSGPXMGKVBKTRX-UHFFFAOYSA-N -1 3 396.300 3.922 20 10 GHCDHM CCOc1ccc(N2CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)cc1 ZINC001322389813 1056669310 /nfs/dbraw/zinc/66/93/10/1056669310.db2.gz XJZPAQVYKCOWGM-UHFFFAOYSA-N -1 3 376.456 3.907 20 10 GHCDHM COc1ccc2ccc([O-])c(CN3CCn4c(nnc4C4CCCC4)C3)c2c1 ZINC001323533877 1056982474 /nfs/dbraw/zinc/98/24/74/1056982474.db2.gz UEUOMYROQSFKFZ-UHFFFAOYSA-N -1 3 378.476 3.819 20 10 GHCDHM CCN(CC)c1ccc(CNC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1 ZINC001441713459 1058851363 /nfs/dbraw/zinc/85/13/63/1058851363.db2.gz LOAKODBVWJNEMB-UHFFFAOYSA-N -1 3 383.879 3.958 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1c(Cl)ccnc1F ZINC001346450768 1061571203 /nfs/dbraw/zinc/57/12/03/1061571203.db2.gz NVKQOBNLDBFFIU-CYBMUJFWSA-N -1 3 398.265 3.628 20 10 GHCDHM O=C(NCCc1nc2cc(Cl)ccc2s1)NCc1c([O-])cccc1F ZINC001478147023 1078741873 /nfs/dbraw/zinc/74/18/73/1078741873.db2.gz WPYXZLLCBWLQBN-UHFFFAOYSA-N -1 3 379.844 3.836 20 10 GHCDHM Cc1cc(C(=O)N2CCC[C@H]3CCC[C@@H]32)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235417 599247437 /nfs/dbraw/zinc/24/74/37/599247437.db2.gz XSCPFXFJLPYEJU-UZLBHIALSA-N -1 3 390.491 3.679 20 10 GHCDHM C[C@H](c1cccs1)N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)cc2)SC1=S ZINC000736204443 598359188 /nfs/dbraw/zinc/35/91/88/598359188.db2.gz RWBCUTZIRDKTOJ-AHEVQNHNSA-N -1 3 399.526 3.891 20 10 GHCDHM C[C@H](c1cccs1)N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)cc2)SC1=S ZINC000736204443 598359190 /nfs/dbraw/zinc/35/91/90/598359190.db2.gz RWBCUTZIRDKTOJ-AHEVQNHNSA-N -1 3 399.526 3.891 20 10 GHCDHM Cc1cc(C(=O)N2c3ccccc3C[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235702 598610933 /nfs/dbraw/zinc/61/09/33/598610933.db2.gz YMBUFSXFPOGVKH-AWEZNQCLSA-N -1 3 398.470 3.866 20 10 GHCDHM Cc1ccc(Cl)c(NC(=S)NNc2cccc(-c3nnn[n-]3)c2)c1Cl ZINC000737342033 598645910 /nfs/dbraw/zinc/64/59/10/598645910.db2.gz DSKVHCFOUHDVFT-UHFFFAOYSA-N -1 3 394.291 3.795 20 10 GHCDHM Cc1ccc(Cl)c(NC(=S)NNc2cccc(-c3nn[n-]n3)c2)c1Cl ZINC000737342033 598645911 /nfs/dbraw/zinc/64/59/11/598645911.db2.gz DSKVHCFOUHDVFT-UHFFFAOYSA-N -1 3 394.291 3.795 20 10 GHCDHM O=C([O-])Nc1ccc(CNC(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000740025724 600318658 /nfs/dbraw/zinc/31/86/58/600318658.db2.gz VIESPMJSUNHYQR-UHFFFAOYSA-N -1 3 397.475 3.543 20 10 GHCDHM O=C([O-])Nc1ccc(CNC(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000740025724 600318663 /nfs/dbraw/zinc/31/86/63/600318663.db2.gz VIESPMJSUNHYQR-UHFFFAOYSA-N -1 3 397.475 3.543 20 10 GHCDHM C[C@@H](NCc1cccc(N2CCOCC2)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000274800301 835387380 /nfs/dbraw/zinc/38/73/80/835387380.db2.gz VDFRMGDZEPISGR-GFCCVEGCSA-N -1 3 382.291 3.781 20 10 GHCDHM COc1ccc(CN(C)Cc2cc(F)cc(C(C)=O)c2[O-])cc1OC(F)F ZINC000177252166 836175129 /nfs/dbraw/zinc/17/51/29/836175129.db2.gz MLDNJJWUURMVQY-UHFFFAOYSA-N -1 3 383.366 3.976 20 10 GHCDHM C[C@H]([NH2+]C[C@]([O-])(c1nccn1C)C(F)(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000278158599 849428155 /nfs/dbraw/zinc/42/81/55/849428155.db2.gz AUMIWKFENXKNJZ-RTHLEPHNSA-N -1 3 398.212 3.533 20 10 GHCDHM C[S@@](=O)C[C@H](NCc1cc(Br)cc(F)c1[O-])c1ccccc1 ZINC000894424444 851286876 /nfs/dbraw/zinc/28/68/76/851286876.db2.gz GFCVGTNEVTZXLX-OYHNWAKOSA-N -1 3 386.286 3.503 20 10 GHCDHM COc1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc(OC)c1[O-] ZINC000764288436 859355876 /nfs/dbraw/zinc/35/58/76/859355876.db2.gz SHMDETZTLSAIIY-UHFFFAOYSA-N -1 3 383.400 3.551 20 10 GHCDHM C[C@H](NCc1nc(CN(C)C)cs1)c1cc(Br)c(F)cc1[O-] ZINC000903220524 859551395 /nfs/dbraw/zinc/55/13/95/859551395.db2.gz ORVFJNOGURWXFJ-VIFPVBQESA-N -1 3 388.306 3.663 20 10 GHCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@@H](Nc2ncncc2Br)C1 ZINC000765499837 860011573 /nfs/dbraw/zinc/01/15/73/860011573.db2.gz CWTAUPRYBNHKKO-CYBMUJFWSA-N -1 3 397.704 3.675 20 10 GHCDHM C[C@@H](NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(F)cc1[O-] ZINC000184965912 865080905 /nfs/dbraw/zinc/08/09/05/865080905.db2.gz SRAYDBPVHNGMOO-OAHLLOKOSA-N -1 3 392.496 3.557 20 10 GHCDHM CCO[C@H](C)c1noc(CN(CC)Cc2cc(Br)ccc2[O-])n1 ZINC000174422524 865789651 /nfs/dbraw/zinc/78/96/51/865789651.db2.gz YJTQKUYLYWEIMZ-LLVKDONJSA-N -1 3 384.274 3.657 20 10 GHCDHM CCN(CC)c1ccc(CNc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000158931139 871464540 /nfs/dbraw/zinc/46/45/40/871464540.db2.gz XZULSXIILIRTBI-UHFFFAOYSA-N -1 3 377.510 3.525 20 10 GHCDHM [O-]c1c(CNC(=S)NCc2ccc(F)cc2)cc(Cl)c2cccnc12 ZINC001196507955 873149389 /nfs/dbraw/zinc/14/93/89/873149389.db2.gz KTNLPTXKWUUTRP-UHFFFAOYSA-N -1 3 375.856 3.897 20 10 GHCDHM [O-]c1ccc(Br)cc1CN1CCc2c(cnn2-c2ccccc2)C1 ZINC000768885239 873647573 /nfs/dbraw/zinc/64/75/73/873647573.db2.gz AKWZEGMQELABNX-UHFFFAOYSA-N -1 3 384.277 3.899 20 10 GHCDHM [O-]c1cccc(Cl)c1CN(CCO)Cc1cc(Br)ccc1F ZINC000769222447 873901965 /nfs/dbraw/zinc/90/19/65/873901965.db2.gz HUXPLYCGVCHGNX-UHFFFAOYSA-N -1 3 388.664 3.942 20 10 GHCDHM CCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H](CC)c1ccccc1 ZINC000769735641 874273816 /nfs/dbraw/zinc/27/38/16/874273816.db2.gz MOHXCSKRNWTVMR-SFHVURJKSA-N -1 3 390.505 3.767 20 10 GHCDHM CCn1nc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])c2ccccc21 ZINC000770635317 874784956 /nfs/dbraw/zinc/78/49/56/874784956.db2.gz TVGHRCSWAQWSNL-UHFFFAOYSA-N -1 3 387.867 3.590 20 10 GHCDHM Cc1nc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)sc1C ZINC000770628924 874805448 /nfs/dbraw/zinc/80/54/48/874805448.db2.gz GYAVUMDBNJLMGY-HNNXBMFYSA-N -1 3 379.913 3.513 20 10 GHCDHM Cn1cc([C@@H](NCc2cc(Br)cc(F)c2[O-])c2ccccc2)cn1 ZINC001201971964 875959937 /nfs/dbraw/zinc/95/99/37/875959937.db2.gz PLPMSOVLGZLCKM-KRWDZBQOSA-N -1 3 390.256 3.907 20 10 GHCDHM CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2sccc2c([O-])c1 ZINC000788265594 877967415 /nfs/dbraw/zinc/96/74/15/877967415.db2.gz JNTNMBFPGUZVNK-UHFFFAOYSA-N -1 3 382.485 3.716 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1[O-] ZINC000852334513 878254012 /nfs/dbraw/zinc/25/40/12/878254012.db2.gz SWNAWQDHOQOLHF-UHFFFAOYSA-N -1 3 396.340 3.751 20 10 GHCDHM [O-]c1c(F)cc(Br)cc1CN1CC2(CN(Cc3ccccc3)C2)C1 ZINC001183301237 912408360 /nfs/dbraw/zinc/40/83/60/912408360.db2.gz UNBQSRVSVNAEES-UHFFFAOYSA-N -1 3 391.284 3.612 20 10 GHCDHM O=S(=O)(C[C@H]1CCCO1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000776744029 879832907 /nfs/dbraw/zinc/83/29/07/879832907.db2.gz PHHVLMRZJXFYET-CYBMUJFWSA-N -1 3 390.486 3.590 20 10 GHCDHM COc1ccc(NC(=O)c2cccc(O)c2[O-])cc1NC(=O)C1CCCCC1 ZINC000790727630 879965799 /nfs/dbraw/zinc/96/57/99/879965799.db2.gz RTJRSKLLHPNLCU-UHFFFAOYSA-N -1 3 384.432 3.878 20 10 GHCDHM C[C@H](N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858520048 883169417 /nfs/dbraw/zinc/16/94/17/883169417.db2.gz OZDCJZYNVWEANJ-ZUZCIYMTSA-N -1 3 393.802 3.549 20 10 GHCDHM CC(=O)C(C)(C)CCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000761980377 885084118 /nfs/dbraw/zinc/08/41/18/885084118.db2.gz BNZLZSIWSXINGS-KRWDZBQOSA-N -1 3 380.916 3.522 20 10 GHCDHM CNC(=O)c1ccc(CN(Cc2c([O-])cccc2Br)C2CC2)cc1 ZINC000862225125 886223110 /nfs/dbraw/zinc/22/31/10/886223110.db2.gz OXQMQTQAFSVAON-UHFFFAOYSA-N -1 3 389.293 3.679 20 10 GHCDHM C[C@@H]1CN(Cc2cccc(Br)c2[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000862485330 886406438 /nfs/dbraw/zinc/40/64/38/886406438.db2.gz KSCWDTBLVVDZFC-OCCSQVGLSA-N -1 3 384.314 3.954 20 10 GHCDHM C[C@@H]1c2nnc(C3CCCC3)n2CCN1Cc1cc(Br)ccc1[O-] ZINC000809769096 887756871 /nfs/dbraw/zinc/75/68/71/887756871.db2.gz GTNXGJHRKNOVGO-GFCCVEGCSA-N -1 3 391.313 3.981 20 10 GHCDHM COC(=O)CN(Cc1noc(C2CCCCC2)n1)Cc1cc(Cl)ccc1[O-] ZINC000121233704 889038319 /nfs/dbraw/zinc/03/83/19/889038319.db2.gz FAOFGEJQTIZOBM-UHFFFAOYSA-N -1 3 393.871 3.652 20 10 GHCDHM COc1ccc([C@H]2CCCN2Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1OC ZINC000774826294 913627024 /nfs/dbraw/zinc/62/70/24/913627024.db2.gz MIEYLTGGJISXAH-OAHLLOKOSA-N -1 3 388.420 3.663 20 10 GHCDHM COc1cc(OC)cc(N2CCCN(Cc3cc(Cl)c(F)cc3[O-])CC2)c1 ZINC000816519121 894895666 /nfs/dbraw/zinc/89/56/66/894895666.db2.gz ZJJGGNMSDHZWSZ-UHFFFAOYSA-N -1 3 394.874 3.914 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCCC[C@H]2COC(=O)NC2CCCC2)c1[O-] ZINC001170863345 895539569 /nfs/dbraw/zinc/53/95/69/895539569.db2.gz UIFPJTMCRFLCOM-SFHVURJKSA-N -1 3 392.471 3.757 20 10 GHCDHM O=C(c1ccccc1)N1CCCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824575239 899694640 /nfs/dbraw/zinc/69/46/40/899694640.db2.gz CTRVCWLESFEUJU-UHFFFAOYSA-N -1 3 389.293 3.503 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC000824637000 899729879 /nfs/dbraw/zinc/72/98/79/899729879.db2.gz WBADRPZPISGMIF-VQIMIIECSA-N -1 3 394.284 3.763 20 10 GHCDHM [O-]c1c(Br)cc(Br)cc1CN1CC[C@@H](CCCO)C1 ZINC000825337248 900101562 /nfs/dbraw/zinc/10/15/62/900101562.db2.gz FIPZOBJCCBJTQS-SNVBAGLBSA-N -1 3 393.119 3.512 20 10 GHCDHM O=C(N1CCCC1)N1CCN(Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000844257611 900663831 /nfs/dbraw/zinc/66/38/31/900663831.db2.gz IRUIQHMIAWJNNG-UHFFFAOYSA-N -1 3 379.460 3.625 20 10 GHCDHM COCc1ccsc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000778915217 901515836 /nfs/dbraw/zinc/51/58/36/901515836.db2.gz QPFWBTHBFXYCJY-MRXNPFEDSA-N -1 3 394.924 3.648 20 10 GHCDHM O=C([C@H]1CCCN(Cc2cc(Br)c(F)cc2[O-])C1)N1CCCCC1 ZINC001144300230 901626457 /nfs/dbraw/zinc/62/64/57/901626457.db2.gz YDVLWLYNIDVRDW-ZDUSSCGKSA-N -1 3 399.304 3.518 20 10 GHCDHM [O-]c1cc(F)c(Br)cc1CN1CCc2ncnc(C3CC3)c2CC1 ZINC001144300566 901671601 /nfs/dbraw/zinc/67/16/01/901671601.db2.gz AOJSDZRBYHQHII-UHFFFAOYSA-N -1 3 392.272 3.562 20 10 GHCDHM COc1c([O-])c(CNc2ccc(C(=O)NC3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000845989676 902568805 /nfs/dbraw/zinc/56/88/05/902568805.db2.gz JFBCJLQMJWIYOL-UHFFFAOYSA-N -1 3 385.420 3.594 20 10 GHCDHM COc1cc(Br)ccc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779054430 903580591 /nfs/dbraw/zinc/58/05/91/903580591.db2.gz XFFUEZMDGMGIFX-JTQLQIEISA-N -1 3 381.226 3.922 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](OCc2ccc(Cl)cc2Cl)C1 ZINC001148214416 904008873 /nfs/dbraw/zinc/00/88/73/904008873.db2.gz RDAOTWLOYSTALO-CYBMUJFWSA-N -1 3 382.243 3.836 20 10 GHCDHM O=C(Nc1ccc(OCc2ccccn2)c(Cl)c1)c1cc(O)c([O-])c(O)c1 ZINC001148586380 904127967 /nfs/dbraw/zinc/12/79/67/904127967.db2.gz MKZIAJHWVQJVMY-UHFFFAOYSA-N -1 3 386.791 3.683 20 10 GHCDHM Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1cccc(O)c1[O-] ZINC000188225301 904893245 /nfs/dbraw/zinc/89/32/45/904893245.db2.gz YSTDMZNERFQCJA-KBPBESRZSA-N -1 3 382.460 3.777 20 10 GHCDHM [O-]c1c(Br)cccc1CN1CCC(Oc2cncc(Cl)n2)CC1 ZINC000779189880 905238202 /nfs/dbraw/zinc/23/82/02/905238202.db2.gz JKUDBPOGVQWAJI-UHFFFAOYSA-N -1 3 398.688 3.642 20 10 GHCDHM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000176211688 905784389 /nfs/dbraw/zinc/78/43/89/905784389.db2.gz HDNVSYYQHHEMSS-UHFFFAOYSA-N -1 3 388.489 3.900 20 10 GHCDHM Cc1ccc(C(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)c([O-])c1O ZINC000182416656 907203576 /nfs/dbraw/zinc/20/35/76/907203576.db2.gz JTNOVRGVRYGOFX-UHFFFAOYSA-N -1 3 376.840 3.792 20 10 GHCDHM C[C@H](NCc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccc(F)c(F)c1[O-] ZINC000191222328 908597097 /nfs/dbraw/zinc/59/70/97/908597097.db2.gz OVNPSNAAGYDREU-LBPRGKRZSA-N -1 3 398.475 3.598 20 10 GHCDHM CN(C(=O)OC(C)(C)C)c1ccc(C(=O)NCc2c([O-])cccc2F)s1 ZINC001178412676 909049406 /nfs/dbraw/zinc/04/94/06/909049406.db2.gz DQAFUWCXFCGKOY-UHFFFAOYSA-N -1 3 380.441 3.894 20 10 GHCDHM Cc1noc([C@@H]2CCCN(Cc3cc(Cl)cc(Br)c3[O-])C2)n1 ZINC001180157553 909995239 /nfs/dbraw/zinc/99/52/39/909995239.db2.gz KOVPIPJNEMZIDX-SNVBAGLBSA-N -1 3 386.677 3.879 20 10 GHCDHM Nc1ccc(N(c2ccc(N)cc2)c2ccc(NC(=O)c3cnn[n-]3)cc2)cc1 ZINC001189349861 916590883 /nfs/dbraw/zinc/59/08/83/916590883.db2.gz YRKYIDWFWDQJSQ-UHFFFAOYSA-N -1 3 385.431 3.691 20 10 GHCDHM Nc1ccc(N(c2ccc(N)cc2)c2ccc(NC(=O)c3c[n-]nn3)cc2)cc1 ZINC001189349861 916590895 /nfs/dbraw/zinc/59/08/95/916590895.db2.gz YRKYIDWFWDQJSQ-UHFFFAOYSA-N -1 3 385.431 3.691 20 10 GHCDHM Nc1ccc(N(c2ccc(N)cc2)c2ccc(NC(=O)c3cn[n-]n3)cc2)cc1 ZINC001189349861 916590904 /nfs/dbraw/zinc/59/09/04/916590904.db2.gz YRKYIDWFWDQJSQ-UHFFFAOYSA-N -1 3 385.431 3.691 20 10 GHCDHM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2[O-])[C@@H](c2cccnc2)C1 ZINC000800531844 920247904 /nfs/dbraw/zinc/24/79/04/920247904.db2.gz HPFNCBRROKVLTR-GOSISDBHSA-N -1 3 387.455 3.720 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c1 ZINC000726796774 926858194 /nfs/dbraw/zinc/85/81/94/926858194.db2.gz DGDZILQAWHMZSC-LJQANCHMSA-N -1 3 378.384 3.539 20 10 GHCDHM C[C@@H](NCc1cc(C(F)(F)F)nn1C)c1cc(Br)cc(F)c1[O-] ZINC000926927334 932352423 /nfs/dbraw/zinc/35/24/23/932352423.db2.gz HIRAXXNFLVGKLF-SSDOTTSWSA-N -1 3 396.182 3.897 20 10 GHCDHM Cc1ccc([C@@H](NCc2c([O-])ccc(Cl)c2F)[C@@H](C)S(C)(=O)=O)cc1 ZINC000798088784 932525171 /nfs/dbraw/zinc/52/51/71/932525171.db2.gz VHFRHKMGZBQGCR-XIKOKIGWSA-N -1 3 385.888 3.757 20 10 GHCDHM CCN(CC)c1ccc(C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC000777971491 934434442 /nfs/dbraw/zinc/43/44/42/934434442.db2.gz LHGNNERFQRGFFE-UHFFFAOYSA-N -1 3 388.320 3.713 20 10 GHCDHM C[C@H]([NH2+][C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593220174 994308348 /nfs/dbraw/zinc/30/83/48/994308348.db2.gz QZJMEPJRILDBRI-SUMWQHHRSA-N -1 3 390.480 3.531 20 10 GHCDHM COc1cc(Cl)cc(C[NH2+][C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)c1[O-] ZINC001599421071 997596201 /nfs/dbraw/zinc/59/62/01/997596201.db2.gz ZPPQFWRKCQXMGJ-CQSZACIVSA-N -1 3 389.757 3.989 20 10 GHCDHM C[C@H]1CCCN(c2ccc(CNCc3cc(C(=O)[O-])n(C)c3)cc2Cl)C1 ZINC001594388901 999472559 /nfs/dbraw/zinc/47/25/59/999472559.db2.gz JLEGDTYWZOHMED-AWEZNQCLSA-N -1 3 375.900 3.903 20 10 GHCDHM COc1cccc(CNC(=O)NCc2c([O-])cccc2F)c1OC1CCCC1 ZINC001221892819 1032565866 /nfs/dbraw/zinc/56/58/66/1032565866.db2.gz UOVAJFMTFQLBCP-UHFFFAOYSA-N -1 3 388.439 3.861 20 10 GHCDHM CC(C)(C)OC(=O)N1CCc2cc(C(=O)NCc3c([O-])cccc3F)ccc21 ZINC001156170028 1032911198 /nfs/dbraw/zinc/91/11/98/1032911198.db2.gz CIFIPIDPRYDNMB-UHFFFAOYSA-N -1 3 386.423 3.759 20 10 GHCDHM [O-]c1cccc(Cl)c1CN1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 ZINC001140345235 1021460262 /nfs/dbraw/zinc/46/02/62/1021460262.db2.gz QJGWMLDUFNVJPZ-HRAATJIYSA-N -1 3 388.895 3.891 20 10 GHCDHM [O-]c1cc(F)cc(F)c1CN1CCC(O)(c2ccc(Br)cc2)CC1 ZINC001140581432 1022002647 /nfs/dbraw/zinc/00/26/47/1022002647.db2.gz SENVSQPMNIGNFK-UHFFFAOYSA-N -1 3 398.247 3.917 20 10 GHCDHM C[C@@H](N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756865629 1023839382 /nfs/dbraw/zinc/83/93/82/1023839382.db2.gz 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ZINC000840910542 1027945325 /nfs/dbraw/zinc/94/53/25/1027945325.db2.gz OWZSGTNAKAXBBS-UHFFFAOYSA-N -1 3 376.859 3.841 20 10 GHCDHM O=C([O-])[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000841795190 1028941951 /nfs/dbraw/zinc/94/19/51/1028941951.db2.gz IBIIDGDSJXFBJF-LJQANCHMSA-N -1 3 387.411 3.640 20 10 GHCDHM O=C1OC[C@@H](c2ccccc2)N1C1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142508843 1029012925 /nfs/dbraw/zinc/01/29/25/1029012925.db2.gz NSCRKKUOHOSCLU-IBGZPJMESA-N -1 3 388.414 3.828 20 10 GHCDHM [O-]c1c(O)cccc1-c1nc(-c2cccc(F)c2I)no1 ZINC001215145966 1029058465 /nfs/dbraw/zinc/05/84/65/1029058465.db2.gz UYIUVIDZDBGFNX-UHFFFAOYSA-N -1 3 398.131 3.559 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC001215221635 1029098349 /nfs/dbraw/zinc/09/83/49/1029098349.db2.gz WKDKNNOIVRHEKM-ZDUSSCGKSA-N -1 3 378.375 3.550 20 10 GHCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cccc(Br)c2Cl)no1 ZINC001215325253 1029153618 /nfs/dbraw/zinc/15/36/18/1029153618.db2.gz 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CCc1noc([C@@H]2CCCN(Cc3cc(F)cc(Br)c3[O-])C2)n1 ZINC001235303614 1040779901 /nfs/dbraw/zinc/77/99/01/1040779901.db2.gz PJJCRYYGKORNBH-SNVBAGLBSA-N -1 3 384.249 3.619 20 10 GHCDHM O=C1N(CC(F)F)CCC12CCN(Cc1c([O-])ccc(Cl)c1Cl)CC2 ZINC001277995575 1041817394 /nfs/dbraw/zinc/81/73/94/1041817394.db2.gz NJUKTRVUNSKDDE-UHFFFAOYSA-N -1 3 393.261 3.779 20 10 GHCDHM O=C1CC[C@@H]2[C@@H](CCN2Cc2c([O-])ccc(Cl)c2Cl)N1CC(F)F ZINC001277995700 1041818781 /nfs/dbraw/zinc/81/87/81/1041818781.db2.gz OSOFCSNOWZWVHB-VXGBXAGGSA-N -1 3 379.234 3.529 20 10 GHCDHM COc1cc([O-])c(CN2CCCC23CN(C(=O)OC(C)(C)C)C3)c(Cl)c1 ZINC001236798399 1041901743 /nfs/dbraw/zinc/90/17/43/1041901743.db2.gz NYFZLAHZOGZHDR-UHFFFAOYSA-N -1 3 382.888 3.640 20 10 GHCDHM COc1ccc(CN2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C)c([O-])c1Cl ZINC001236809784 1041910403 /nfs/dbraw/zinc/91/04/03/1041910403.db2.gz OGHPMFVVTKYKNR-OCCSQVGLSA-N -1 3 384.904 3.932 20 10 GHCDHM COc1cc([O-])c(CN(C)Cc2cn3ccc(C)cc3n2)c(Br)c1 ZINC001237068299 1042019473 /nfs/dbraw/zinc/01/94/73/1042019473.db2.gz OKZLCAJSYDZXBD-UHFFFAOYSA-N -1 3 390.281 3.751 20 10 GHCDHM COc1cc([O-])c(CN(C)Cc2ccc3c(c2)OCO3)c(Br)c1 ZINC001237071637 1042021615 /nfs/dbraw/zinc/02/16/15/1042021615.db2.gz VEJRGJSSBLOXSR-UHFFFAOYSA-N -1 3 380.238 3.524 20 10 GHCDHM [O-]c1c(F)cc(Cl)cc1CN1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001237619173 1042286462 /nfs/dbraw/zinc/28/64/62/1042286462.db2.gz NOXUHIWLXGJXHR-AEFFLSMTSA-N -1 3 394.849 3.661 20 10 GHCDHM Cc1cc([O-])c(CN2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)cc1Br ZINC001237681363 1042322417 /nfs/dbraw/zinc/32/24/17/1042322417.db2.gz SUCOMTDZTAUGNQ-KBPBESRZSA-N -1 3 397.313 3.657 20 10 GHCDHM C[C@H]1CN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])CCC[C@H]1O ZINC001237783200 1042366725 /nfs/dbraw/zinc/36/67/25/1042366725.db2.gz FVEXGRDSOFGZCG-TVQRCGJNSA-N -1 3 382.220 3.766 20 10 GHCDHM [O-]c1cc(F)c(F)cc1CNc1nc2ccccc2n1CCCn1ccnc1 ZINC001462691235 1070473796 /nfs/dbraw/zinc/47/37/96/1070473796.db2.gz SNECNLRQNKXHJB-UHFFFAOYSA-N -1 3 383.402 3.919 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c([O-])c1O ZINC001290301727 1049794327 /nfs/dbraw/zinc/79/43/27/1049794327.db2.gz KOCMOTFOMDJJSB-UHFFFAOYSA-N -1 3 390.439 3.631 20 10 GHCDHM [O-]c1c(Br)cc(Cl)cc1CN1CCC[C@H](c2ccncn2)C1 ZINC001308627416 1050039034 /nfs/dbraw/zinc/03/90/34/1050039034.db2.gz KHPMPPRNPXFYLN-NSHDSACASA-N -1 3 382.689 3.978 20 10 GHCDHM CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1ccc(Cl)cc1[O-] ZINC001308704334 1050065742 /nfs/dbraw/zinc/06/57/42/1050065742.db2.gz CQKPQEDICRPBOV-UHFFFAOYSA-N -1 3 394.924 3.639 20 10 GHCDHM O=C(CCCc1ccccc1)N[C@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC001308757479 1050084392 /nfs/dbraw/zinc/08/43/92/1050084392.db2.gz CJQQAQDFOFSWIZ-IBGZPJMESA-N -1 3 388.458 3.774 20 10 GHCDHM CCOCCCn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001346785729 1061884376 /nfs/dbraw/zinc/88/43/76/1061884376.db2.gz WNGIMEPZQLCVEJ-ZIAGYGMSSA-N -1 3 399.520 3.533 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC001456090421 1062476817 /nfs/dbraw/zinc/47/68/17/1062476817.db2.gz KGRGOGRBJGRGKB-UHFFFAOYSA-N -1 3 379.313 3.666 20 10 GHCDHM CCOc1ccc(Nc2ncccc2C(=O)NCc2c([O-])cccc2F)cc1 ZINC001471975147 1073288476 /nfs/dbraw/zinc/28/84/76/1073288476.db2.gz QPUDXSHLEZZMDO-UHFFFAOYSA-N -1 3 381.407 3.999 20 10 GHCDHM O=C1C[C@@H](NCc2c([O-])ccc(Cl)c2F)CN1c1ccc(Cl)c(F)c1 ZINC001474073098 1074254793 /nfs/dbraw/zinc/25/47/93/1074254793.db2.gz GBIOJXYMHCTLIQ-SECBINFHSA-N -1 3 387.213 3.872 20 10 GHCDHM C[C@H](c1ccccc1)N(C)C(=O)CN(C)Cc1c([O-])cccc1Br ZINC001474468724 1074420623 /nfs/dbraw/zinc/42/06/23/1074420623.db2.gz FREYYWKUANCTTN-CQSZACIVSA-N -1 3 391.309 3.806 20 10 GHCDHM Fc1c(Cl)cccc1NNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737638565 598324300 /nfs/dbraw/zinc/32/43/00/598324300.db2.gz IJMNWFWXKKFUOT-UHFFFAOYSA-N -1 3 398.254 3.626 20 10 GHCDHM Fc1c(Cl)cccc1NNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737638565 598324301 /nfs/dbraw/zinc/32/43/01/598324301.db2.gz IJMNWFWXKKFUOT-UHFFFAOYSA-N -1 3 398.254 3.626 20 10 GHCDHM Cc1cc(C(=O)N(C)C2CCCCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737228146 598610423 /nfs/dbraw/zinc/61/04/23/598610423.db2.gz VKSNAZMLYORSNH-UHFFFAOYSA-N -1 3 378.480 3.679 20 10 GHCDHM Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227955 598610463 /nfs/dbraw/zinc/61/04/63/598610463.db2.gz RBGGXFNBUQFFDC-VBKZILBWSA-N -1 3 392.507 3.925 20 10 GHCDHM Cc1cc(C(=O)NCc2ccccc2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737428744 598610989 /nfs/dbraw/zinc/61/09/89/598610989.db2.gz VGBYCLYDHXEIFZ-UHFFFAOYSA-N -1 3 386.459 3.513 20 10 GHCDHM Clc1cccc(-c2nnn[n-]2)c1NCc1ccc(N2CCSCC2)cc1 ZINC000737574527 598635630 /nfs/dbraw/zinc/63/56/30/598635630.db2.gz LJYLPWCUKVARHM-UHFFFAOYSA-N -1 3 386.912 3.685 20 10 GHCDHM Clc1cccc(-c2nn[n-]n2)c1NCc1ccc(N2CCSCC2)cc1 ZINC000737574527 598635632 /nfs/dbraw/zinc/63/56/32/598635632.db2.gz LJYLPWCUKVARHM-UHFFFAOYSA-N -1 3 386.912 3.685 20 10 GHCDHM CCCCCNC(=O)C1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000177027202 835498284 /nfs/dbraw/zinc/49/82/84/835498284.db2.gz MLNARTZMCRXSJX-UHFFFAOYSA-N -1 3 380.916 3.767 20 10 GHCDHM CC[C@@H](C)NS(=O)(=O)Cc1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000125604578 842380349 /nfs/dbraw/zinc/38/03/49/842380349.db2.gz OACAYXUQWHMADG-CYBMUJFWSA-N -1 3 382.913 3.876 20 10 GHCDHM CN(C)[C@@H](C(=O)NCc1cccc(Br)c1[O-])c1cccc(Cl)c1 ZINC000765766531 857139650 /nfs/dbraw/zinc/13/96/50/857139650.db2.gz YMTPLZKWAFHKHA-OAHLLOKOSA-N -1 3 397.700 3.727 20 10 GHCDHM CC[C@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1cc(Cl)ccc1O ZINC000775544412 870626521 /nfs/dbraw/zinc/62/65/21/870626521.db2.gz QPXISSHHYDRZMU-AWEZNQCLSA-N -1 3 384.885 3.989 20 10 GHCDHM N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)c1ccc([O-])c(O)c1Cl ZINC001193209494 870946313 /nfs/dbraw/zinc/94/63/13/870946313.db2.gz LQVUACZNDUYVDA-NNDYQBKXSA-N -1 3 383.795 3.718 20 10 GHCDHM CC(C)OC(=O)N1CCc2c(Cl)c([O-])c(O)cc2[C@@H](c2ccc(O)cc2)C1 ZINC001193476293 871120436 /nfs/dbraw/zinc/12/04/36/871120436.db2.gz JTURRVMRQJXDNE-MRXNPFEDSA-N -1 3 391.851 3.992 20 10 GHCDHM Cc1ccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)c([O-])c1O ZINC000182320255 872197953 /nfs/dbraw/zinc/19/79/53/872197953.db2.gz MUAGOVOAWGABJD-UHFFFAOYSA-N -1 3 396.422 3.783 20 10 GHCDHM CC(C)OCCS(=O)(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000182425146 872323617 /nfs/dbraw/zinc/32/36/17/872323617.db2.gz CMFNCWQHIYJAJN-UHFFFAOYSA-N -1 3 392.502 3.836 20 10 GHCDHM Cn1ccnc1[C@H](NCc1c([O-])cccc1Br)c1ccccc1F ZINC001199127069 874813015 /nfs/dbraw/zinc/81/30/15/874813015.db2.gz MJISVYWKRCJIPL-QGZVFWFLSA-N -1 3 390.256 3.907 20 10 GHCDHM C[C@H](NCc1cc(Br)ccc1[O-])c1noc(Cc2ccccc2)n1 ZINC000776232856 875980045 /nfs/dbraw/zinc/98/00/45/875980045.db2.gz XXILJNSMNGWJEE-LBPRGKRZSA-N -1 3 388.265 3.979 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC(N(C)C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000175658526 877403721 /nfs/dbraw/zinc/40/37/21/877403721.db2.gz HXJXOIBHQHUUDO-UHFFFAOYSA-N -1 3 380.460 3.565 20 10 GHCDHM CC[C@@]1(CO)CCCN1Cc1cc(Br)cc(Br)c1[O-] ZINC000789565783 879075388 /nfs/dbraw/zinc/07/53/88/879075388.db2.gz JGRLMTKKYMHPOV-AWEZNQCLSA-N -1 3 393.119 3.654 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000789909163 879353197 /nfs/dbraw/zinc/35/31/97/879353197.db2.gz VDHDJZPXONVFPL-KRWDZBQOSA-N -1 3 381.407 3.994 20 10 GHCDHM O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1c(F)ccc(O)c1[O-] ZINC000789973866 879393005 /nfs/dbraw/zinc/39/30/05/879393005.db2.gz TUUZNBLSKIKOJL-UHFFFAOYSA-N -1 3 392.858 3.532 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CC(C)(c3nnc(-c4cccc(F)c4)o3)C2)c1[O-] ZINC000854086474 879513049 /nfs/dbraw/zinc/51/30/49/879513049.db2.gz BJJCOSMVNVGCHM-UHFFFAOYSA-N -1 3 399.397 3.697 20 10 GHCDHM COc1cccc([C@@H](NC(=O)c2cccc(O)c2[O-])c2cc(F)ccc2OC)c1 ZINC000790838539 880011275 /nfs/dbraw/zinc/01/12/75/880011275.db2.gz HKAAJFWVKFUDLZ-HXUWFJFHSA-N -1 3 397.402 3.774 20 10 GHCDHM O=C(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1cccc(O)c1[O-] ZINC000790928102 880068626 /nfs/dbraw/zinc/06/86/26/880068626.db2.gz OAANGMALIGDHEK-ZDUSSCGKSA-N -1 3 377.265 3.733 20 10 GHCDHM Cc1ccc(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)c3ccccc32)c([O-])c1O ZINC000855764231 880732101 /nfs/dbraw/zinc/73/21/01/880732101.db2.gz WLPORTJVEXVYNR-HNNXBMFYSA-N -1 3 383.444 3.882 20 10 GHCDHM CC[C@@H](Nc1ccc(OC)c(OCC(=O)NC2CC2)c1)c1ccc(F)cc1[O-] ZINC000286265171 912657497 /nfs/dbraw/zinc/65/74/97/912657497.db2.gz VFQHHADTFIIILE-QGZVFWFLSA-N -1 3 388.439 3.761 20 10 GHCDHM CC(C)c1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c([O-])c1 ZINC000919968335 881305474 /nfs/dbraw/zinc/30/54/74/881305474.db2.gz DWOOHSGIYMUZFL-UHFFFAOYSA-N -1 3 382.504 3.654 20 10 GHCDHM CN1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])[C@H]1c1ccccc1 ZINC000805235605 883679881 /nfs/dbraw/zinc/67/98/81/883679881.db2.gz DMUYOPSEYFJYQQ-IAGOWNOFSA-N -1 3 394.302 3.944 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCCC[C@@H]2COC(=O)N(C)C)c1 ZINC000809709244 887729858 /nfs/dbraw/zinc/72/98/58/887729858.db2.gz OGWXVFVVYMUUFJ-CQSZACIVSA-N -1 3 385.302 3.516 20 10 GHCDHM C[C@H](N[C@@H](CO)c1ccccc1OC(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000794842668 888423371 /nfs/dbraw/zinc/42/33/71/888423371.db2.gz SBACQMSUXWQERH-XPTSAGLGSA-N -1 3 377.309 3.953 20 10 GHCDHM COC(=O)c1cc2nc[nH]c2c(NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001168522805 891103930 /nfs/dbraw/zinc/10/39/30/891103930.db2.gz JNVMSVXVLGHJOQ-UHFFFAOYSA-N -1 3 382.807 3.869 20 10 GHCDHM COc1c([O-])c(CN(C)Cc2cc(Br)cs2)ccc1[N+](=O)[O-] ZINC000774840935 913727785 /nfs/dbraw/zinc/72/77/85/913727785.db2.gz PUTKRYNGSHUSKF-UHFFFAOYSA-N -1 3 387.255 3.765 20 10 GHCDHM C[C@@H](Nc1cnn(CC(=O)NC2CCCC2)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000815609761 894042461 /nfs/dbraw/zinc/04/24/61/894042461.db2.gz RYYPWSBXCVJVNF-GFCCVEGCSA-N -1 3 396.413 3.839 20 10 GHCDHM COC(=O)CN(Cc1ccccc1-c1ccnn1C)Cc1cc(Cl)ccc1[O-] ZINC000816507140 894884084 /nfs/dbraw/zinc/88/40/84/894884084.db2.gz XKUVKBYVQNDOMC-UHFFFAOYSA-N -1 3 399.878 3.621 20 10 GHCDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(N2CCC(C)CC2)c1 ZINC000826250788 896674008 /nfs/dbraw/zinc/67/40/08/896674008.db2.gz SHGRXITTWASNAC-UHFFFAOYSA-N -1 3 376.464 3.664 20 10 GHCDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(N2CCC(C)CC2)c1 ZINC000826250788 896674013 /nfs/dbraw/zinc/67/40/13/896674013.db2.gz SHGRXITTWASNAC-UHFFFAOYSA-N -1 3 376.464 3.664 20 10 GHCDHM COc1c([O-])c(CNc2ccc(-n3nc(C)cc3C)c(F)c2)ccc1[N+](=O)[O-] ZINC000774928069 914095389 /nfs/dbraw/zinc/09/53/89/914095389.db2.gz HQMXRLBWZMGZIA-UHFFFAOYSA-N -1 3 386.383 3.863 20 10 GHCDHM COc1c([O-])c(CNc2cccc(NC(=O)c3ccoc3)c2)ccc1[N+](=O)[O-] ZINC000774929111 914096663 /nfs/dbraw/zinc/09/66/63/914096663.db2.gz CDMKWIISLMRQOY-UHFFFAOYSA-N -1 3 383.360 3.766 20 10 GHCDHM COCc1c(Br)cccc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774931314 914101189 /nfs/dbraw/zinc/10/11/89/914101189.db2.gz IILNIGKURSECKL-UHFFFAOYSA-N -1 3 397.225 3.830 20 10 GHCDHM [O-]c1ccc2oc3c(c2c1CN1CCn2c(nnc2C(F)(F)F)C1)CCCC3 ZINC000131407837 897451148 /nfs/dbraw/zinc/45/11/48/897451148.db2.gz KREFLAKGAVGPNC-UHFFFAOYSA-N -1 3 392.381 3.643 20 10 GHCDHM CC(C)(C)OC(=O)NCC(C)(C)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000887313122 901842003 /nfs/dbraw/zinc/84/20/03/901842003.db2.gz OOPUESZEHCMNGF-UHFFFAOYSA-N -1 3 392.496 3.501 20 10 GHCDHM O=C([O-])c1cnn2c1[nH]c(CN1CCCCC[C@H]1/C=C/c1ccccc1)cc2=O ZINC000846257583 902831359 /nfs/dbraw/zinc/83/13/59/902831359.db2.gz SCSDFXACOIIUAH-ZGKFYVQTSA-N -1 3 392.459 3.591 20 10 GHCDHM COC(=O)[C@H](c1cccc(Br)c1)N(C)Cc1cc(F)ccc1[O-] ZINC000779029331 903189240 /nfs/dbraw/zinc/18/92/40/903189240.db2.gz BTTVJMPZTVXLGZ-INIZCTEOSA-N -1 3 382.229 3.640 20 10 GHCDHM Cc1ccc(C)n1-c1ccc(-c2noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)cc1 ZINC001212843961 903682270 /nfs/dbraw/zinc/68/22/70/903682270.db2.gz GIYIEHDCUYWBEF-UHFFFAOYSA-N -1 3 377.360 3.820 20 10 GHCDHM O=C(Nc1ccnn1Cc1cccc(C(F)(F)F)c1)c1cccc(O)c1[O-] ZINC001148211946 904007660 /nfs/dbraw/zinc/00/76/60/904007660.db2.gz DPNNWECHFPTSEY-UHFFFAOYSA-N -1 3 377.322 3.614 20 10 GHCDHM Cc1ccnc(NC(=O)c2ccc(C)c(NC(=O)c3cccc(O)c3[O-])c2)c1 ZINC001148219393 904010376 /nfs/dbraw/zinc/01/03/76/904010376.db2.gz XJYUKAFTCKDXSF-UHFFFAOYSA-N -1 3 377.400 3.614 20 10 GHCDHM CNC(=O)c1cccc(Oc2ccc(NC(=O)c3cccc(O)c3[O-])cc2)c1 ZINC001148219418 904010523 /nfs/dbraw/zinc/01/05/23/904010523.db2.gz ZIGFGTSJAREPGK-UHFFFAOYSA-N -1 3 378.384 3.502 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1CCC(=O)c2ccccc21 ZINC001178929528 909293693 /nfs/dbraw/zinc/29/36/93/909293693.db2.gz SEYHJGYEGXLLIJ-HNNXBMFYSA-N -1 3 380.831 3.970 20 10 GHCDHM COc1ccc(N2CCN(Cc3cc(Br)ccc3[O-])CC2)c(C)c1 ZINC001203650342 914927281 /nfs/dbraw/zinc/92/72/81/914927281.db2.gz PWLBSHXUILQKJW-UHFFFAOYSA-N -1 3 391.309 3.794 20 10 GHCDHM O=S(=O)(c1cccc(NCc2c([O-])cccc2Cl)c1)N1CCCCC1 ZINC000796382900 915335132 /nfs/dbraw/zinc/33/51/32/915335132.db2.gz NDAWYWKQFYUCIC-UHFFFAOYSA-N -1 3 380.897 3.832 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cnc(-c2ccccc2)nc1 ZINC001190026613 917062645 /nfs/dbraw/zinc/06/26/45/917062645.db2.gz FLXLDMFIEZPGBI-UHFFFAOYSA-N -1 3 390.830 3.981 20 10 GHCDHM O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc([O-])c2ccccc2c1 ZINC000280284924 919575322 /nfs/dbraw/zinc/57/53/22/919575322.db2.gz GECSCBDOHZGBCF-UHFFFAOYSA-N -1 3 394.446 3.576 20 10 GHCDHM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2[O-])[C@@H](c2ccncc2)C1 ZINC000800540303 920256426 /nfs/dbraw/zinc/25/64/26/920256426.db2.gz CFJDNVZROCSKNP-GOSISDBHSA-N -1 3 387.455 3.720 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC(n3cc(Br)cn3)CC2)c1[O-] ZINC000750819785 927874154 /nfs/dbraw/zinc/87/41/54/927874154.db2.gz HZJVSCHJNVIHIQ-UHFFFAOYSA-N -1 3 396.260 3.530 20 10 GHCDHM Cc1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)c([O-])c1O ZINC000780906682 930634771 /nfs/dbraw/zinc/63/47/71/930634771.db2.gz GEOAJXSHAUPYLO-CYBMUJFWSA-N -1 3 377.824 3.870 20 10 GHCDHM Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)c([O-])c1O ZINC000780921721 930639846 /nfs/dbraw/zinc/63/98/46/930639846.db2.gz RJKGUKUKJJHHLU-UHFFFAOYSA-N -1 3 388.423 3.861 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN(C)Cc2ccc([S@@](C)=O)cc2)c1 ZINC000781911568 931025220 /nfs/dbraw/zinc/02/52/20/931025220.db2.gz NWVVURGOZIEFTC-JOCHJYFZSA-N -1 3 382.323 3.833 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000797770041 932402225 /nfs/dbraw/zinc/40/22/25/932402225.db2.gz JLZURJSSFXOIET-AWEZNQCLSA-N -1 3 380.213 3.977 20 10 GHCDHM COc1cc([N-]S(=O)(=O)c2c(C)cc(Br)cc2C)ccc1O ZINC000797819334 932416328 /nfs/dbraw/zinc/41/63/28/932416328.db2.gz GJRPGKLJZLDQQB-UHFFFAOYSA-N -1 3 386.267 3.581 20 10 GHCDHM CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(C)cc1[O-] ZINC000798248695 932575861 /nfs/dbraw/zinc/57/58/61/932575861.db2.gz JMILLIFDLBOELR-UHFFFAOYSA-N -1 3 384.476 3.703 20 10 GHCDHM [O-]c1c(Br)cccc1CNCc1ccncc1OCC(F)(F)F ZINC000798504409 932678953 /nfs/dbraw/zinc/67/89/53/932678953.db2.gz HCFYGGRYIQPYQW-UHFFFAOYSA-N -1 3 391.187 3.781 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N(C)Cc1c(C)noc1C ZINC001121957039 934792280 /nfs/dbraw/zinc/79/22/80/934792280.db2.gz KPQBCWGWIULWMJ-UHFFFAOYSA-N -1 3 384.465 3.522 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@@]2(CC2(F)F)C1 ZINC001122036126 934805445 /nfs/dbraw/zinc/80/54/45/934805445.db2.gz OJLICGWHJVNSJT-QGZVFWFLSA-N -1 3 391.447 3.906 20 10 GHCDHM C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593248181 994470113 /nfs/dbraw/zinc/47/01/13/994470113.db2.gz SWVBTEQEMFZMGO-QWHCGFSZSA-N -1 3 397.393 3.611 20 10 GHCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1OC[C@H]1COc2cscc2O1 ZINC001227941005 1032706900 /nfs/dbraw/zinc/70/69/00/1032706900.db2.gz QIFRJARGMJWFSF-CYBMUJFWSA-N -1 3 384.409 3.609 20 10 GHCDHM [O-]c1cc(Cl)ccc1CN1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001140465144 1021758776 /nfs/dbraw/zinc/75/87/76/1021758776.db2.gz JLEFIFMMHOFQMF-URLQWDBASA-N -1 3 394.924 3.698 20 10 GHCDHM C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)[n-]1)c1cc(Br)c(F)cc1[O-] ZINC000756866797 1023840962 /nfs/dbraw/zinc/84/09/62/1023840962.db2.gz DIQJJAWXGIRTQJ-SNVBAGLBSA-N -1 3 391.244 3.930 20 10 GHCDHM [O-]c1c(F)cccc1CN1CCc2c(c(COCC3CC3)nn2CC2CC2)C1 ZINC001138125126 1024169561 /nfs/dbraw/zinc/16/95/61/1024169561.db2.gz JGIRPELQVLCPSP-UHFFFAOYSA-N -1 3 385.483 3.623 20 10 GHCDHM [O-]c1c(F)cccc1CN1CCO[C@]2(CCC[C@@H]2COCc2ccccn2)C1 ZINC001138127272 1024173929 /nfs/dbraw/zinc/17/39/29/1024173929.db2.gz VJVYLBIYRAIKDD-XMSQKQJNSA-N -1 3 386.467 3.514 20 10 GHCDHM [O-]c1c(F)cc(F)cc1CN[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC001203580083 1027449324 /nfs/dbraw/zinc/44/93/24/1027449324.db2.gz HFECZUHQZJQTPJ-KDYLLFBJSA-N -1 3 384.220 3.573 20 10 GHCDHM CCOC(=O)CN(Cc1ccccc1)Cc1cc(Br)ccc1[O-] ZINC001203636540 1027496198 /nfs/dbraw/zinc/49/61/98/1027496198.db2.gz WZELQZOIVUTWTI-UHFFFAOYSA-N -1 3 378.266 3.720 20 10 GHCDHM CS(=O)(=O)c1cccc(C2CCN(Cc3cc(Cl)ccc3[O-])CC2)c1 ZINC001203665811 1027518160 /nfs/dbraw/zinc/51/81/60/1027518160.db2.gz WEFTVBPXCOGCDQ-UHFFFAOYSA-N -1 3 379.909 3.829 20 10 GHCDHM CCOC(=O)[C@@H]1c2ccc(OC)cc2CCN1Cc1cc(Cl)ccc1[O-] ZINC001203665496 1027519099 /nfs/dbraw/zinc/51/90/99/1027519099.db2.gz MJOKXFAXMXSFFY-IBGZPJMESA-N -1 3 375.852 3.717 20 10 GHCDHM O=S(=O)(NCc1c([O-])cccc1F)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC001213799882 1028382533 /nfs/dbraw/zinc/38/25/33/1028382533.db2.gz SCYSQQNQKCVQNZ-UHFFFAOYSA-N -1 3 399.312 3.664 20 10 GHCDHM Cc1ccc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)Cc3ccccc32)c([O-])c1O ZINC000841450144 1028652251 /nfs/dbraw/zinc/65/22/51/1028652251.db2.gz XYBSGCNQGYQNQN-HNNXBMFYSA-N -1 3 398.459 3.502 20 10 GHCDHM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001142419465 1028863165 /nfs/dbraw/zinc/86/31/65/1028863165.db2.gz SAKPLKZMBHGAGT-CYBMUJFWSA-N -1 3 399.441 3.542 20 10 GHCDHM [O-]c1c(O)cccc1-c1nc(-c2ccc(F)c(I)c2)no1 ZINC001215145830 1029058621 /nfs/dbraw/zinc/05/86/21/1029058621.db2.gz LRIZJYLWTBDOAM-UHFFFAOYSA-N -1 3 398.131 3.559 20 10 GHCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cc(F)c(F)cc2Br)no1 ZINC001215325103 1029153546 /nfs/dbraw/zinc/15/35/46/1029153546.db2.gz ALNIVBXBHHXOMS-UHFFFAOYSA-N -1 3 385.120 3.561 20 10 GHCDHM CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(F)cc(Br)c1[O-] ZINC001276943952 1030871094 /nfs/dbraw/zinc/87/10/94/1030871094.db2.gz FGACAGYPYFZKEX-HFBAOOFYSA-N -1 3 399.304 3.658 20 10 GHCDHM Cc1c([C@@H](C)Oc2cc(C)cc3c2C(=O)c2c([O-])cccc2C3=O)cnn1C ZINC001229541918 1033548863 /nfs/dbraw/zinc/54/88/63/1033548863.db2.gz IMYQCAZOEMRMFT-CYBMUJFWSA-N -1 3 376.412 3.658 20 10 GHCDHM COC(=O)c1ccc2nc(NCc3cc(Cl)c4cccnc4c3[O-])ncc2c1 ZINC001157724345 1033739619 /nfs/dbraw/zinc/73/96/19/1033739619.db2.gz LTRBWAZEWOZOOC-UHFFFAOYSA-N -1 3 394.818 3.936 20 10 GHCDHM CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)Cc1ccc(Cl)cc1[O-] ZINC001461873863 1069819575 /nfs/dbraw/zinc/81/95/75/1069819575.db2.gz QRQIEXJUFNHKBS-UHFFFAOYSA-N -1 3 386.801 3.813 20 10 GHCDHM Nc1cc(Cl)nc(C(F)(F)NCc2cc(Br)ccc2[O-])c1 ZINC001160019213 1034831629 /nfs/dbraw/zinc/83/16/29/1034831629.db2.gz CFHUQSSBBZQLHD-UHFFFAOYSA-N -1 3 378.604 3.624 20 10 GHCDHM CCOC(=O)CN(CCc1ccccc1)Cc1c([O-])cccc1Br ZINC001461985633 1069929896 /nfs/dbraw/zinc/92/98/96/1069929896.db2.gz FEQFDSHPWXCUJU-UHFFFAOYSA-N -1 3 392.293 3.763 20 10 GHCDHM CC(C)(C)c1cc([O-])c(CN2CCn3c(nnc3C(F)(F)F)C2)cc1Cl ZINC001248881100 1036220069 /nfs/dbraw/zinc/22/00/69/1036220069.db2.gz QCYMEGHPWXYUFJ-UHFFFAOYSA-N -1 3 388.821 3.969 20 10 GHCDHM CCOC(=O)CN(Cc1ccc(OC)cc1)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232264448 1037986421 /nfs/dbraw/zinc/98/64/21/1037986421.db2.gz IUPOKXLKFCKWKC-UHFFFAOYSA-N -1 3 393.867 3.628 20 10 GHCDHM COc1cc([O-])c(CN2CCCN(C(=O)C3CCCCC3)CC2)cc1Cl ZINC001232267357 1037989946 /nfs/dbraw/zinc/98/99/46/1037989946.db2.gz AKHGBNLZAGJCQV-UHFFFAOYSA-N -1 3 380.916 3.669 20 10 GHCDHM COc1cc([O-])c(CN2CCN(C[C@@H](OC)c3ccccc3)CC2)cc1Cl ZINC001232267743 1037990306 /nfs/dbraw/zinc/99/03/06/1037990306.db2.gz GHFLZEDEQPKJNQ-OAQYLSRUSA-N -1 3 390.911 3.560 20 10 GHCDHM [O-]c1cc(I)ccc1CN1CCC[C@@H]1c1cccnc1 ZINC001232975007 1038746162 /nfs/dbraw/zinc/74/61/62/1038746162.db2.gz VVNOLALKFOZGEN-OAHLLOKOSA-N -1 3 380.229 3.729 20 10 GHCDHM CC(C)c1nccc([C@@H]2C[C@@H]3CCN(Cc4ccc(F)c(F)c4[O-])C[C@H]3O2)n1 ZINC001233076693 1038842631 /nfs/dbraw/zinc/84/26/31/1038842631.db2.gz SUFNPAFCJAUFTG-DOPJRALCSA-N -1 3 389.446 3.936 20 10 GHCDHM COc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)c(Cl)c1[O-] ZINC001233400619 1039240917 /nfs/dbraw/zinc/24/09/17/1039240917.db2.gz QFOAXAHREKTPDO-UHFFFAOYSA-N -1 3 376.884 3.523 20 10 GHCDHM CC(C)(C)OC(=O)N1CC2(C1)CCCN2Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416822 1039273942 /nfs/dbraw/zinc/27/39/42/1039273942.db2.gz XVXJBQPVKKHSTR-UHFFFAOYSA-N -1 3 386.414 3.996 20 10 GHCDHM CC1(C)CC(=O)CC[C@@H]1Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234748629 1040275027 /nfs/dbraw/zinc/27/50/27/1040275027.db2.gz LXDNQQIBFYALMC-SFHVURJKSA-N -1 3 384.384 3.590 20 10 GHCDHM CN1CCN(Cc2cc(Br)cc(F)c2[O-])C[C@H]1c1ccccc1 ZINC001235065405 1040556270 /nfs/dbraw/zinc/55/62/70/1040556270.db2.gz PUXFJMBJLBORRK-KRWDZBQOSA-N -1 3 379.273 3.783 20 10 GHCDHM CCOC(=O)C[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C[C@@H]1C ZINC001235074484 1040563837 /nfs/dbraw/zinc/56/38/37/1040563837.db2.gz IJQXCELVXCDZFP-NWDGAFQWSA-N -1 3 388.277 3.705 20 10 GHCDHM [O-]c1c(Br)cc(F)cc1CN1CCN2CCc3ccccc3[C@@H]2C1 ZINC001235305594 1040779779 /nfs/dbraw/zinc/77/97/79/1040779779.db2.gz ORHMZIOKXWTFIY-SFHVURJKSA-N -1 3 391.284 3.709 20 10 GHCDHM O=C1CC[C@@H]2[C@@H](CCN2Cc2c([O-])ccc(F)c2Cl)N1CC1CCCC1 ZINC001278025019 1041946019 /nfs/dbraw/zinc/94/60/19/1041946019.db2.gz KWXUJJLGMMBNDX-IAGOWNOFSA-N -1 3 380.891 3.940 20 10 GHCDHM COc1cc([O-])c(CN(C)CCCC(=O)c2cccnc2)c(Br)c1 ZINC001237073949 1042023405 /nfs/dbraw/zinc/02/34/05/1042023405.db2.gz YCEHDPQSIAUWNR-UHFFFAOYSA-N -1 3 393.281 3.653 20 10 GHCDHM O=c1oc2ccccc2n1C1CCN(Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237125510 1042052672 /nfs/dbraw/zinc/05/26/72/1042052672.db2.gz DACCAHCVEHBNBA-UHFFFAOYSA-N -1 3 376.815 3.930 20 10 GHCDHM O=C1NC2(C[C@@H]1c1ccccc1)CCN(Cc1cc(Cl)cc(F)c1[O-])CC2 ZINC001237617639 1042283904 /nfs/dbraw/zinc/28/39/04/1042283904.db2.gz BROKMZVRVUFGMQ-QGZVFWFLSA-N -1 3 388.870 3.823 20 10 GHCDHM C[C@H]1CN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])CCC[C@@H]1O ZINC001237783202 1042366174 /nfs/dbraw/zinc/36/61/74/1042366174.db2.gz FVEXGRDSOFGZCG-ZANVPECISA-N -1 3 382.220 3.766 20 10 GHCDHM [O-]c1c(CN2CCC[C@@H](CO)CC2)cc(Br)cc1C(F)(F)F ZINC001237783488 1042367595 /nfs/dbraw/zinc/36/75/95/1042367595.db2.gz JFJBJJLAULRKCK-SNVBAGLBSA-N -1 3 382.220 3.768 20 10 GHCDHM [O-]c1c(I)cccc1CN1CCC[C@H]1c1cccnc1 ZINC001237788117 1042369897 /nfs/dbraw/zinc/36/98/97/1042369897.db2.gz WBGHCOYMKWZDHV-HNNXBMFYSA-N -1 3 380.229 3.729 20 10 GHCDHM Cc1ccc(O[C@@H]2C[C@H]3CN(Cc4cc(F)cc(Cl)c4[O-])CCN3C2)cc1 ZINC001237812414 1042381096 /nfs/dbraw/zinc/38/10/96/1042381096.db2.gz FXEFQPKHEGFPQW-PKOBYXMFSA-N -1 3 390.886 3.831 20 10 GHCDHM O=C(c1cccc(F)c1)N1CC[C@H]2CN(Cc3cc(F)c(Cl)cc3[O-])C[C@H]21 ZINC001237938450 1042428772 /nfs/dbraw/zinc/42/87/72/1042428772.db2.gz ZAYJZSMBHLYTGJ-SCLBCKFNSA-N -1 3 392.833 3.670 20 10 GHCDHM C[C@H]1CCCCN1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1 ZINC001259684439 1045266217 /nfs/dbraw/zinc/26/62/17/1045266217.db2.gz VIWCQQFHKZPTQE-AWEZNQCLSA-N -1 3 389.477 3.599 20 10 GHCDHM Cc1cc([O-])c(CN2C[C@H]3CN(CCCC(F)(F)F)C[C@@H](C2)O3)cc1Cl ZINC001279433649 1047805105 /nfs/dbraw/zinc/80/51/05/1047805105.db2.gz YMNVZKFKLZVICG-GASCZTMLSA-N -1 3 392.849 3.582 20 10 GHCDHM CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1c([O-])cccc1Br ZINC001308652439 1050048541 /nfs/dbraw/zinc/04/85/41/1050048541.db2.gz OHJIKZXDHBJRQE-UHFFFAOYSA-N -1 3 388.265 3.826 20 10 GHCDHM CCOc1cc(C(=O)NCc2c([O-])cccc2F)ccc1OCc1cccnc1 ZINC001456086975 1062474301 /nfs/dbraw/zinc/47/43/01/1062474301.db2.gz IHZPTIFLMGRQEK-UHFFFAOYSA-N -1 3 396.418 3.834 20 10 GHCDHM Cc1cc([O-])c(CN2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)cc1Cl ZINC001474627489 1074489292 /nfs/dbraw/zinc/48/92/92/1074489292.db2.gz MFHUXWAYZWILLK-KRWDZBQOSA-N -1 3 394.924 3.760 20 10 GHCDHM Fc1ccc2c(C3=CCN(c4ncc(-c5nnn[n-]5)cc4Cl)CC3)c[nH]c2c1 ZINC000737655701 598391476 /nfs/dbraw/zinc/39/14/76/598391476.db2.gz DPFVYWLIKHTZJZ-UHFFFAOYSA-N -1 3 395.829 3.829 20 10 GHCDHM Fc1ccc2c(C3=CCN(c4ncc(-c5nn[n-]n5)cc4Cl)CC3)c[nH]c2c1 ZINC000737655701 598391478 /nfs/dbraw/zinc/39/14/78/598391478.db2.gz DPFVYWLIKHTZJZ-UHFFFAOYSA-N -1 3 395.829 3.829 20 10 GHCDHM Cc1cc(C(=O)N2CCC(C)(C)CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233463 598612035 /nfs/dbraw/zinc/61/20/35/598612035.db2.gz GAUAXIPVXXNPLR-UHFFFAOYSA-N -1 3 378.480 3.536 20 10 GHCDHM Cc1cc(C(=O)N2C[C@@H](C)CC[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822169018 599548690 /nfs/dbraw/zinc/54/86/90/599548690.db2.gz WKOZYRSVOKCMBG-UONOGXRCSA-N -1 3 378.480 3.535 20 10 GHCDHM O=C([O-])N[C@@H]1C[C@@H](NCc2ccc(N3CCSCC3)cc2)c2ccccc21 ZINC000834158457 605792821 /nfs/dbraw/zinc/79/28/21/605792821.db2.gz NSGHBTCKSOQWRK-WOJBJXKFSA-N -1 3 383.517 3.783 20 10 GHCDHM Cc1ccccc1N1C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)SC1=S ZINC000822362588 606334547 /nfs/dbraw/zinc/33/45/47/606334547.db2.gz ZXLFNQXBEMDADN-QPEQYQDCSA-N -1 3 385.499 3.642 20 10 GHCDHM Cc1ccccc1N1C(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)SC1=S ZINC000822362588 606334549 /nfs/dbraw/zinc/33/45/49/606334549.db2.gz ZXLFNQXBEMDADN-QPEQYQDCSA-N -1 3 385.499 3.642 20 10 GHCDHM Cc1cc(C(=O)Nc2ccc(C)nc2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822254478 606696733 /nfs/dbraw/zinc/69/67/33/606696733.db2.gz LECKDJHVNDYDLE-UHFFFAOYSA-N -1 3 387.447 3.538 20 10 GHCDHM COc1cc(C=C2SC(NC3CCCC3)=NC2=O)cc(Br)c1[O-] ZINC000208141284 842388055 /nfs/dbraw/zinc/38/80/55/842388055.db2.gz LXTBXUONBGFENB-MDWZMJQESA-N -1 3 397.294 3.666 20 10 GHCDHM COC(=O)CN(Cc1cc(-c2ccccc2)no1)Cc1cc(Cl)ccc1[O-] ZINC000731844457 861903661 /nfs/dbraw/zinc/90/36/61/861903661.db2.gz BJSCLRQNUJTFIB-UHFFFAOYSA-N -1 3 386.835 3.876 20 10 GHCDHM [O-]c1c(CNc2cnc(OC3CCOCC3)cn2)cc(Cl)c2cccnc12 ZINC001168525968 870955495 /nfs/dbraw/zinc/95/54/95/870955495.db2.gz NIUXJLNLEJSKHZ-UHFFFAOYSA-N -1 3 386.839 3.554 20 10 GHCDHM COc1cccc(C(=O)C(F)(F)F)c1NC(=O)c1ccc([O-])c(O)c1Cl ZINC001193228938 870990820 /nfs/dbraw/zinc/99/08/20/870990820.db2.gz BEQHXNPJDMQTFH-UHFFFAOYSA-N -1 3 389.713 3.757 20 10 GHCDHM O=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccc(OCc2ccccc2)cc1 ZINC000921019851 882505357 /nfs/dbraw/zinc/50/53/57/882505357.db2.gz IVEHQHSXOOEWKP-UHFFFAOYSA-N -1 3 383.425 3.795 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)c([O-])c1O ZINC000182238831 872064143 /nfs/dbraw/zinc/06/41/43/872064143.db2.gz DOACKEUWTMKMSS-ZDUSSCGKSA-N -1 3 382.460 3.839 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)c([O-])c1O ZINC000182238850 872064487 /nfs/dbraw/zinc/06/44/87/872064487.db2.gz DOACKEUWTMKMSS-CYBMUJFWSA-N -1 3 382.460 3.839 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1[O-] ZINC001195235048 872242068 /nfs/dbraw/zinc/24/20/68/872242068.db2.gz VQUHTPYUMWVBID-KBXCAEBGSA-N -1 3 392.471 3.565 20 10 GHCDHM CCOC(=O)c1[n-]cnc1NC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195262204 872290077 /nfs/dbraw/zinc/29/00/77/872290077.db2.gz MNXFWVMLGPXNQM-WCWDXBQESA-N -1 3 379.376 3.960 20 10 GHCDHM CCOC(=O)c1nc[n-]c1NC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195262204 872290089 /nfs/dbraw/zinc/29/00/89/872290089.db2.gz MNXFWVMLGPXNQM-WCWDXBQESA-N -1 3 379.376 3.960 20 10 GHCDHM CN(C(=O)OC(C)(C)C)[C@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000768247592 873188085 /nfs/dbraw/zinc/18/80/85/873188085.db2.gz BYPXCISNKMVIDM-ZDUSSCGKSA-N -1 3 385.302 3.596 20 10 GHCDHM CC(C)(NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)NCC1CCCCC1 ZINC000769934800 874375986 /nfs/dbraw/zinc/37/59/86/874375986.db2.gz XXMJFPLHFLJAOQ-UHFFFAOYSA-N -1 3 383.876 3.519 20 10 GHCDHM COc1ccc(N2CCN(Cc3cc(Br)ccc3[O-])CC2)cc1F ZINC000770302724 874585481 /nfs/dbraw/zinc/58/54/81/874585481.db2.gz SENZNMDQRKMWNG-UHFFFAOYSA-N -1 3 395.272 3.625 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@H](C)C2)c([O-])c1O ZINC000770470111 874701631 /nfs/dbraw/zinc/70/16/31/874701631.db2.gz WRDXPKVRPDPHOP-OKILXGFUSA-N -1 3 382.460 3.777 20 10 GHCDHM [O-]c1c(Br)cccc1CN1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000775997055 875066111 /nfs/dbraw/zinc/06/61/11/875066111.db2.gz NRMRSEZYUBNMAR-UHFFFAOYSA-N -1 3 394.284 3.863 20 10 GHCDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N(Cc1ccccc1O)C1CCCCC1 ZINC000776255993 876032729 /nfs/dbraw/zinc/03/27/29/876032729.db2.gz IOEKNTKOEKBRKR-UHFFFAOYSA-N -1 3 397.401 3.574 20 10 GHCDHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000108453795 876472185 /nfs/dbraw/zinc/47/21/85/876472185.db2.gz MHMOOTXYUYVHGZ-UHFFFAOYSA-N -1 3 381.476 3.517 20 10 GHCDHM [O-]c1c(Br)cccc1CN1CCC(OC[C@H]2CCCCO2)CC1 ZINC000093842303 912468210 /nfs/dbraw/zinc/46/82/10/912468210.db2.gz SDLQSDUASMTEOI-MRXNPFEDSA-N -1 3 384.314 3.705 20 10 GHCDHM CC[C@@H](Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1)c1ccc(F)cc1[O-] ZINC000285897941 912491065 /nfs/dbraw/zinc/49/10/65/912491065.db2.gz BFUUITRWWKIGRG-FZKQIMNGSA-N -1 3 383.427 3.886 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2cc([C@@H]3CCCOC3)nn2C)c1 ZINC000790487461 879760251 /nfs/dbraw/zinc/76/02/51/879760251.db2.gz MRDJFBTXSWWBKX-GFCCVEGCSA-N -1 3 380.286 3.703 20 10 GHCDHM COC(=O)CN(Cc1ccc(-n2ccnc2)cc1C)Cc1cc(Cl)ccc1[O-] ZINC000792249613 881003552 /nfs/dbraw/zinc/00/35/52/881003552.db2.gz MYQZVFIOSZLJAI-UHFFFAOYSA-N -1 3 399.878 3.715 20 10 GHCDHM CC(C)(C)OC(=O)N[C@@H]1CCCN(Cc2cccc(Br)c2[O-])C1 ZINC000154897613 884879997 /nfs/dbraw/zinc/87/99/97/884879997.db2.gz IAJKQHICIIPYAX-CYBMUJFWSA-N -1 3 385.302 3.644 20 10 GHCDHM COc1cccc([C@H]2CN(Cc3c([O-])cccc3Br)CCO2)c1 ZINC000862239040 886238099 /nfs/dbraw/zinc/23/80/99/886238099.db2.gz SNQRYJBVMJDONW-GOSISDBHSA-N -1 3 378.266 3.737 20 10 GHCDHM C[C@H]1c2nnc(C3CCCC3)n2CCN1Cc1cc(Br)ccc1[O-] ZINC000809769097 887756180 /nfs/dbraw/zinc/75/61/80/887756180.db2.gz GTNXGJHRKNOVGO-LBPRGKRZSA-N -1 3 391.313 3.981 20 10 GHCDHM COc1ccc(CN[C@@H](C)c2cc(Br)c(F)cc2[O-])c(OC)n1 ZINC000810261671 888325403 /nfs/dbraw/zinc/32/54/03/888325403.db2.gz XQVHFVDLCPBJNL-VIFPVBQESA-N -1 3 385.233 3.557 20 10 GHCDHM [O-]c1c(CNc2nc3nc[nH]c3c(C(F)(F)F)n2)cc(Cl)c2cccnc12 ZINC001168521960 890279433 /nfs/dbraw/zinc/27/94/33/890279433.db2.gz MHVBXFMTTPOBPZ-UHFFFAOYSA-N -1 3 394.744 3.843 20 10 GHCDHM Cc1cc(-c2nccn2C)c(NCc2cc(Cl)c3cccnc3c2[O-])nn1 ZINC001168522064 890303590 /nfs/dbraw/zinc/30/35/90/890303590.db2.gz OLUFTQOORBWHKY-UHFFFAOYSA-N -1 3 380.839 3.705 20 10 GHCDHM C[C@@H](NCc1cc(Br)ccc1[O-])c1ncc(Br)cn1 ZINC000814301988 892527995 /nfs/dbraw/zinc/52/79/95/892527995.db2.gz LPYLYHBOMKVUKW-MRVPVSSYSA-N -1 3 387.075 3.558 20 10 GHCDHM CC(C)[C@@H](NCc1cc(Br)cc(F)c1[O-])c1nnc2ccccn21 ZINC000882957075 897143893 /nfs/dbraw/zinc/14/38/93/897143893.db2.gz VSKUQSNAWAXHKZ-OAHLLOKOSA-N -1 3 393.260 3.823 20 10 GHCDHM C[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824514590 899651494 /nfs/dbraw/zinc/65/14/94/899651494.db2.gz OYZVOKGYHUWFCG-GFCCVEGCSA-N -1 3 391.456 3.792 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000824636995 899730739 /nfs/dbraw/zinc/73/07/39/899730739.db2.gz WBADRPZPISGMIF-LPHOPBHVSA-N -1 3 394.284 3.763 20 10 GHCDHM COC(=O)c1cccc(CN(C)Cc2cc(Br)c(F)cc2[O-])c1 ZINC001144308154 901701446 /nfs/dbraw/zinc/70/14/46/901701446.db2.gz RTNYSNRKTIZZKW-UHFFFAOYSA-N -1 3 382.229 3.712 20 10 GHCDHM C[C@@H](c1ccc(Cl)cc1)N(Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)C1CC1 ZINC000846240358 902815563 /nfs/dbraw/zinc/81/55/63/902815563.db2.gz LVOMPPFLWCKLCZ-NSHDSACASA-N -1 3 386.839 3.512 20 10 GHCDHM CCn1c2ccccc2nc1[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC001148225569 904011605 /nfs/dbraw/zinc/01/16/05/904011605.db2.gz PSENAQYWAAOQQK-HXUWFJFHSA-N -1 3 387.439 3.987 20 10 GHCDHM CC(=O)c1cc(F)cc(CN[C@H](Cc2ccccc2)C(=O)OC(C)(C)C)c1[O-] ZINC001175163365 907413698 /nfs/dbraw/zinc/41/36/98/907413698.db2.gz BLXHLELFWJHDAS-LJQANCHMSA-N -1 3 387.451 3.777 20 10 GHCDHM COc1ccc(N[C@@H](C)c2cc(Cl)c(Cl)cc2[O-])cc1-n1cnnn1 ZINC000774346440 911693358 /nfs/dbraw/zinc/69/33/58/911693358.db2.gz XBAVNZHUWCHNSM-VIFPVBQESA-N -1 3 380.235 3.856 20 10 GHCDHM Cn1c(CNCc2cccc(Br)c2[O-])nc2ccc(Cl)cc21 ZINC000775146335 915555580 /nfs/dbraw/zinc/55/55/80/915555580.db2.gz PHEICVPHZXNHMC-UHFFFAOYSA-N -1 3 380.673 3.985 20 10 GHCDHM O=C([C@@H]1CC12CCN(Cc1c([O-])ccc(Cl)c1F)CC2)N1CCCCC1 ZINC000365254998 920574060 /nfs/dbraw/zinc/57/40/60/920574060.db2.gz JYXBPHTVYWOXKZ-HNNXBMFYSA-N -1 3 380.891 3.799 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2cccc(N3CCOCC3)c2)c1 ZINC000802641026 922284408 /nfs/dbraw/zinc/28/44/08/922284408.db2.gz UONFNQCCXSAAHZ-UHFFFAOYSA-N -1 3 377.282 3.912 20 10 GHCDHM O=S1(=O)CCCN(Cc2c([O-])ccc3ccccc32)[C@@H](c2ccccc2)C1 ZINC000902629126 922358552 /nfs/dbraw/zinc/35/85/52/922358552.db2.gz NXNZSFHYHJDVBW-OAQYLSRUSA-N -1 3 381.497 3.907 20 10 GHCDHM Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)nn1C(C)C ZINC000827095674 924738104 /nfs/dbraw/zinc/73/81/04/924738104.db2.gz JYLZKDFOAWGWQM-QGZVFWFLSA-N -1 3 390.915 3.526 20 10 GHCDHM Cn1cc(Cl)cc1C[N@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000757604571 929741062 /nfs/dbraw/zinc/74/10/62/929741062.db2.gz DDETXSWFIWQIEQ-UHFFFAOYSA-N -1 3 384.863 3.953 20 10 GHCDHM Cn1cc(Cl)cc1C[N@@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000757604571 929741069 /nfs/dbraw/zinc/74/10/69/929741069.db2.gz DDETXSWFIWQIEQ-UHFFFAOYSA-N -1 3 384.863 3.953 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(OCc3nc(C)no3)cc2)c1 ZINC000757610861 929744041 /nfs/dbraw/zinc/74/40/41/929744041.db2.gz MCGLZACHMYWRIY-LBPRGKRZSA-N -1 3 383.404 3.622 20 10 GHCDHM Cc1n[nH]cc1-c1nnc(NCc2cc(C)cc(Br)c2[O-])s1 ZINC000780402160 930507309 /nfs/dbraw/zinc/50/73/09/930507309.db2.gz OPGGROSLPZTFIX-UHFFFAOYSA-N -1 3 380.271 3.625 20 10 GHCDHM CC(=O)N[C@@H]1Cc2ccccc2N(Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781921437 931029462 /nfs/dbraw/zinc/02/94/62/931029462.db2.gz UAKSYFJDIHHKBD-MRXNPFEDSA-N -1 3 389.293 3.531 20 10 GHCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1csc(Cl)n1 ZINC000781959353 931043204 /nfs/dbraw/zinc/04/32/04/931043204.db2.gz UVSFPESGIGLRQC-LBPRGKRZSA-N -1 3 386.304 3.550 20 10 GHCDHM C[C@@H]1CCCN(c2ccc(CNC(=O)NCc3ncccc3[O-])cc2Cl)C1 ZINC000799994742 933206142 /nfs/dbraw/zinc/20/61/42/933206142.db2.gz PUTDHWONIVYFIK-CQSZACIVSA-N -1 3 388.899 3.676 20 10 GHCDHM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2c([O-])cccc2F)C[C@@H]1C(F)(F)F ZINC001137840351 935817860 /nfs/dbraw/zinc/81/78/60/935817860.db2.gz YMZBWTHHMDNOGZ-JSGCOSHPSA-N -1 3 392.393 3.809 20 10 GHCDHM C[C@@H]1CN(Cc2ccc(N3CCCCC3)c(Br)c2)C[C@H]1C(=O)[O-] ZINC001599866518 989271867 /nfs/dbraw/zinc/27/18/67/989271867.db2.gz MBRUWZNXXDJZOQ-UKRRQHHQSA-N -1 3 381.314 3.592 20 10 GHCDHM CN(C)c1ccc(/C=C/CN(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1 ZINC001598314247 991294800 /nfs/dbraw/zinc/29/48/00/991294800.db2.gz JXEUECVLAQJLCK-PXPVJAHISA-N -1 3 378.394 3.941 20 10 GHCDHM C[C@H]([NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593218845 994292298 /nfs/dbraw/zinc/29/22/98/994292298.db2.gz IGRDMEDSMDLCAM-QGLTVNCISA-N -1 3 386.414 3.546 20 10 GHCDHM CCOC(=O)C(F)(F)[C@H](CC)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227937620 1032705072 /nfs/dbraw/zinc/70/50/72/1032705072.db2.gz NMCMUIWBGQMDGK-HNNXBMFYSA-N -1 3 394.370 3.685 20 10 GHCDHM COC(=O)C[C@@H]1CCC[C@H](Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)C1 ZINC001227940966 1032707326 /nfs/dbraw/zinc/70/73/26/1032707326.db2.gz PSFBFRMWOULVFU-ZBFHGGJFSA-N -1 3 384.428 3.830 20 10 GHCDHM [O-]c1c(F)cccc1CN1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC001204592369 1032987083 /nfs/dbraw/zinc/98/70/83/1032987083.db2.gz MZOHLEHWFNUMOP-UHFFFAOYSA-N -1 3 397.263 3.751 20 10 GHCDHM COc1c([O-])c(CNc2ccc3c(c2)CN(CC(F)(F)F)C3)ccc1[N+](=O)[O-] ZINC000835080682 1021878203 /nfs/dbraw/zinc/87/82/03/1021878203.db2.gz VEIHKJBOASKZNW-UHFFFAOYSA-N -1 3 397.353 3.799 20 10 GHCDHM [O-]c1c(F)ccc(F)c1CN1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001139682261 1026537362 /nfs/dbraw/zinc/53/73/62/1026537362.db2.gz UNYWXRUKFNXURQ-NQIIRXRSSA-N -1 3 390.430 3.516 20 10 GHCDHM CC(C)(C)OC(=O)NCC1(C)CN(Cc2cc(Br)ccc2[O-])C1 ZINC001203650612 1027506770 /nfs/dbraw/zinc/50/67/70/1027506770.db2.gz XTDOSMOUKQMZSY-UHFFFAOYSA-N -1 3 385.302 3.501 20 10 GHCDHM CC(C)(C)OC(=O)N1CCC[C@@]2(CN(Cc3cc(Cl)ccc3[O-])CCO2)C1 ZINC001203651702 1027507154 /nfs/dbraw/zinc/50/71/54/1027507154.db2.gz STYAJUXQRFPYGU-HXUWFJFHSA-N -1 3 396.915 3.648 20 10 GHCDHM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CC(F)(F)C1 ZINC001203664824 1027518363 /nfs/dbraw/zinc/51/83/63/1027518363.db2.gz XPWWHWHJYFOGFM-ZDUSSCGKSA-N -1 3 376.831 3.780 20 10 GHCDHM COc1ccc(N[C@H](C)c2ccc(Cl)cc2[O-])cc1OCC(=O)NC1CC1 ZINC000841749699 1028911021 /nfs/dbraw/zinc/91/10/21/1028911021.db2.gz HJEVVDZZPDUHRV-GFCCVEGCSA-N -1 3 390.867 3.885 20 10 GHCDHM O=C([O-])C[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccsc1 ZINC000841794442 1028939752 /nfs/dbraw/zinc/93/97/52/1028939752.db2.gz GIMHZEXEEWOVMN-INIZCTEOSA-N -1 3 389.477 3.952 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cn2cc(Cl)ccc2n1 ZINC001149291449 1030120643 /nfs/dbraw/zinc/12/06/43/1030120643.db2.gz OJQFVCQREAYRLA-UHFFFAOYSA-N -1 3 387.226 3.825 20 10 GHCDHM O=C1N(CCC(F)(F)F)CC[C@]12CCCN2Cc1cc(F)c(Cl)cc1[O-] ZINC001276967649 1030979823 /nfs/dbraw/zinc/97/98/23/1030979823.db2.gz RRTHSAHGYHTUGA-MRXNPFEDSA-N -1 3 394.796 3.704 20 10 GHCDHM CC(C)=CCNC(=O)[C@H]1CC12CCN(Cc1cc(F)c(Cl)cc1[O-])CC2 ZINC001276967890 1030980348 /nfs/dbraw/zinc/98/03/48/1030980348.db2.gz UPPAYMKSPORUTD-OAHLLOKOSA-N -1 3 380.891 3.869 20 10 GHCDHM O=C1[C@@H](NCc2ccc(F)c(F)c2[O-])CCN1c1ccccc1C(F)(F)F ZINC001205434338 1033410667 /nfs/dbraw/zinc/41/06/67/1033410667.db2.gz MMPQHEIQGKKGRF-ZDUSSCGKSA-N -1 3 386.320 3.584 20 10 GHCDHM Cc1nn(C)cc1[C@H](C)Oc1cc(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001229542827 1033550336 /nfs/dbraw/zinc/55/03/36/1033550336.db2.gz QBTAEWRTXLNCAS-ZDUSSCGKSA-N -1 3 376.412 3.658 20 10 GHCDHM CSc1ccccc1NC(=O)CN(C)Cc1c([O-])cccc1Br ZINC001461861782 1069801936 /nfs/dbraw/zinc/80/19/36/1069801936.db2.gz AOXYGRHHERIYPE-UHFFFAOYSA-N -1 3 395.322 3.947 20 10 GHCDHM CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC001159704689 1034718141 /nfs/dbraw/zinc/71/81/41/1034718141.db2.gz LVGVTFQWTYMVED-INIZCTEOSA-N -1 3 376.250 3.914 20 10 GHCDHM CCN(CC)c1ccnc([C@@H]2COCCN2Cc2cc(Cl)c(C)cc2[O-])n1 ZINC001231868308 1034955078 /nfs/dbraw/zinc/95/50/78/1034955078.db2.gz AAIAYERISUMXIV-KRWDZBQOSA-N -1 3 390.915 3.564 20 10 GHCDHM Cc1cc([O-])c(CN2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)cc1Cl ZINC001231869836 1034956078 /nfs/dbraw/zinc/95/60/78/1034956078.db2.gz XDITXVSHCFBXHF-ZAAXVRCTSA-N -1 3 388.895 3.807 20 10 GHCDHM CC(C)(C)OC(=O)N1CCC(N(Cc2cccc(Cl)c2[O-])C2COC2)CC1 ZINC001231912507 1034987073 /nfs/dbraw/zinc/98/70/73/1034987073.db2.gz JSHBBGWUCRWTCI-UHFFFAOYSA-N -1 3 396.915 3.646 20 10 GHCDHM [O-]c1c(Cl)cccc1CN1CCC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001231913503 1034987904 /nfs/dbraw/zinc/98/79/04/1034987904.db2.gz KULOETKEYPBSIH-LBPRGKRZSA-N -1 3 387.789 3.898 20 10 GHCDHM COc1cc(N2CCN(Cc3ccc(Br)cc3[O-])CC2)ccc1F ZINC001462148750 1070035684 /nfs/dbraw/zinc/03/56/84/1070035684.db2.gz IWICWBIIIFPYJR-UHFFFAOYSA-N -1 3 395.272 3.625 20 10 GHCDHM COc1cc([O-])c(CN2CCc3cc(F)c(F)cc3C2)cc1Br ZINC001233141135 1038920204 /nfs/dbraw/zinc/92/02/04/1038920204.db2.gz BUIOQTMMELBLHI-UHFFFAOYSA-N -1 3 384.220 4.000 20 10 GHCDHM [O-]c1ccc(F)c(F)c1CN1CCC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001233336276 1039137700 /nfs/dbraw/zinc/13/77/00/1039137700.db2.gz GFVYFSLRLITGEU-JTQLQIEISA-N -1 3 389.324 3.523 20 10 GHCDHM [O-]c1c(CN2CCN(CCOc3ccccc3)CC2)cccc1C(F)(F)F ZINC001233418228 1039279022 /nfs/dbraw/zinc/27/90/22/1039279022.db2.gz YFQHHGKDDQAPGT-UHFFFAOYSA-N -1 3 380.410 3.608 20 10 GHCDHM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2[O-])C[C@@H]1F ZINC001233454867 1039342876 /nfs/dbraw/zinc/34/28/76/1039342876.db2.gz MXUMMIHZFZHLLZ-UONOGXRCSA-N -1 3 392.393 3.848 20 10 GHCDHM COc1cccc(CN(C)Cc2cc(Br)cc(F)c2[O-])c1OC ZINC001235066445 1040554500 /nfs/dbraw/zinc/55/45/00/1040554500.db2.gz IQJYIHCWFXXYCF-UHFFFAOYSA-N -1 3 384.245 3.943 20 10 GHCDHM [O-]c1c(F)cc(Br)cc1CN1CCN(CCc2cccs2)CC1 ZINC001235064861 1040554703 /nfs/dbraw/zinc/55/47/03/1040554703.db2.gz JZNAXRPTUQBIES-UHFFFAOYSA-N -1 3 399.329 3.716 20 10 GHCDHM COC(CN(Cc1ccccc1)Cc1cc(F)cc(Br)c1[O-])OC ZINC001235299571 1040772390 /nfs/dbraw/zinc/77/23/90/1040772390.db2.gz VZULFTYYQAWSFL-UHFFFAOYSA-N -1 3 398.272 3.915 20 10 GHCDHM [O-]c1ccc(F)c(F)c1CN1CCN[C@H](c2cccc(Br)c2)C1 ZINC001235799280 1041302389 /nfs/dbraw/zinc/30/23/89/1041302389.db2.gz MGPZXALEOGQSAA-HNNXBMFYSA-N -1 3 383.236 3.579 20 10 GHCDHM O=C1C[C@]2(CCN(Cc3cc(Cl)c(Cl)cc3[O-])C2)CN1c1ccccn1 ZINC001236792018 1041897302 /nfs/dbraw/zinc/89/73/02/1041897302.db2.gz DUWVRKHDUCLZPN-IBGZPJMESA-N -1 3 392.286 3.723 20 10 GHCDHM COc1cc([O-])c(CN2CCC[C@H]3[C@H]2CN3C(=O)OC(C)(C)C)c(Cl)c1 ZINC001236794903 1041899340 /nfs/dbraw/zinc/89/93/40/1041899340.db2.gz FNOPEGYRVGOPAB-JKSUJKDBSA-N -1 3 382.888 3.638 20 10 GHCDHM COc1cc([O-])c(CN2CCN(CC3CC3)c3nc(C)ccc3C2)c(Cl)c1 ZINC001236799512 1041902294 /nfs/dbraw/zinc/90/22/94/1041902294.db2.gz OOYYIQQIQNDBRR-UHFFFAOYSA-N -1 3 387.911 3.990 20 10 GHCDHM O=C1C[C@]2(CCN(Cc3c([O-])ccc(Cl)c3Cl)C2)CN1c1ccccn1 ZINC001237080440 1042027068 /nfs/dbraw/zinc/02/70/68/1042027068.db2.gz MCAMNUJSRINMJQ-IBGZPJMESA-N -1 3 392.286 3.723 20 10 GHCDHM [O-]c1ccc(F)c(Cl)c1CN1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001237123023 1042051049 /nfs/dbraw/zinc/05/10/49/1042051049.db2.gz AXSGHBGRJAVZQR-QMMMGPOBSA-N -1 3 379.741 3.966 20 10 GHCDHM O=C1Nc2ccccc2C2(CCN(Cc3c([O-])ccc(F)c3Cl)CC2)N1 ZINC001237127390 1042054526 /nfs/dbraw/zinc/05/45/26/1042054526.db2.gz ZDBZDBOZTWLZOS-UHFFFAOYSA-N -1 3 375.831 3.811 20 10 GHCDHM CCOCc1noc2c1CN(Cc1cc(Br)c(C)cc1[O-])CC2 ZINC001237679623 1042320730 /nfs/dbraw/zinc/32/07/30/1042320730.db2.gz SRFKBSLRIRYOQA-UHFFFAOYSA-N -1 3 381.270 3.546 20 10 GHCDHM CCOC(=O)c1coc2c1CN(Cc1cc(Br)c(C)cc1[O-])C2 ZINC001237680870 1042322239 /nfs/dbraw/zinc/32/22/39/1042322239.db2.gz FJZZEVLXYRYXSJ-UHFFFAOYSA-N -1 3 380.238 3.749 20 10 GHCDHM CN(Cc1cccc(I)c1[O-])Cc1ccc(F)cc1F ZINC001237783858 1042367669 /nfs/dbraw/zinc/36/76/69/1042367669.db2.gz PBMYSDIOZQJHDD-UHFFFAOYSA-N -1 3 389.183 3.907 20 10 GHCDHM [O-]c1cc(Cl)c(F)cc1CN1CC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001237941645 1042431601 /nfs/dbraw/zinc/43/16/01/1042431601.db2.gz ZXGNHGCLAJYGCV-SNVBAGLBSA-N -1 3 391.752 3.647 20 10 GHCDHM Cc1cc(NC(=O)N2CCCCC2)ccc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC001259558874 1045232008 /nfs/dbraw/zinc/23/20/08/1045232008.db2.gz BIRDFGPFSHPHAL-UHFFFAOYSA-N -1 3 389.477 3.519 20 10 GHCDHM COc1cc([O-])c(CN2C[C@H]3CC[C@@H](C2)N3Cc2scnc2C)cc1Cl ZINC001279571967 1047842145 /nfs/dbraw/zinc/84/21/45/1047842145.db2.gz RMPNOIVKUUXEKL-GASCZTMLSA-N -1 3 393.940 3.668 20 10 GHCDHM CCn1ccnc1CN1C[C@@H]2CCN(Cc3c([O-])ccc(Cl)c3Cl)[C@@H]2C1 ZINC001279676394 1047909556 /nfs/dbraw/zinc/90/95/56/1047909556.db2.gz CXAUWVIWAUJOOQ-XJKSGUPXSA-N -1 3 395.334 3.622 20 10 GHCDHM O=C(Cc1ccsc1)N1CC[C@H]2[C@@H]1CCN2Cc1c([O-])ccc(F)c1Cl ZINC001279683887 1047912508 /nfs/dbraw/zinc/91/25/08/1047912508.db2.gz KYAVULTZUBNGKP-HOTGVXAUSA-N -1 3 394.899 3.664 20 10 GHCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@H](NCc2nnc(C3CC3)s2)C1 ZINC001333725840 1051821450 /nfs/dbraw/zinc/82/14/50/1051821450.db2.gz RHOGZMTZVHXHNN-HNNXBMFYSA-N -1 3 378.929 3.529 20 10 GHCDHM CC1(C)CCCN1c1nnc(-c2sc3ncccc3c2[O-])n1C[C@@H]1CCOC1 ZINC001345207872 1054940840 /nfs/dbraw/zinc/94/08/40/1054940840.db2.gz DMTDHHQQBJHIIX-ZDUSSCGKSA-N -1 3 399.520 3.676 20 10 GHCDHM COC(=O)CN(Cc1nc2c(s1)C[C@@H](C)CC2)Cc1cc(Cl)ccc1[O-] ZINC001324743750 1057217327 /nfs/dbraw/zinc/21/73/27/1057217327.db2.gz GZKLOQQLTFUNDK-LBPRGKRZSA-N -1 3 394.924 3.802 20 10 GHCDHM COC(=O)CN(Cc1nc2c(s1)C[C@H](C)CC2)Cc1cc(Cl)ccc1[O-] ZINC001324743749 1057217361 /nfs/dbraw/zinc/21/73/61/1057217361.db2.gz GZKLOQQLTFUNDK-GFCCVEGCSA-N -1 3 394.924 3.802 20 10 GHCDHM Cc1c(C(=O)[N-]c2c3nonc3ccc2Cl)nnn1-c1cccc(Cl)c1 ZINC001325346674 1057316708 /nfs/dbraw/zinc/31/67/08/1057316708.db2.gz XUDZEDJOJLEHOZ-UHFFFAOYSA-N -1 3 389.202 3.671 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CC2(C[C@@H]1C)CCOCC2 ZINC001341733408 1060846498 /nfs/dbraw/zinc/84/64/98/1060846498.db2.gz RSLMYZIVMCLRTC-ZDUSSCGKSA-N -1 3 399.520 3.676 20 10 GHCDHM CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(O)cc1Cl ZINC000849308942 1067794748 /nfs/dbraw/zinc/79/47/48/1067794748.db2.gz ZGOYRJNKCCLRNP-UHFFFAOYSA-N -1 3 396.896 3.719 20 10 GHCDHM Cc1c(C(=O)NCc2c([O-])cccc2F)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001471975828 1073288603 /nfs/dbraw/zinc/28/86/03/1073288603.db2.gz IYAVSFUHTCGAGY-UHFFFAOYSA-N -1 3 393.340 3.974 20 10 GHCDHM [O-]c1c(F)cc(Br)cc1CN1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC001474391991 1074380993 /nfs/dbraw/zinc/38/09/93/1074380993.db2.gz REOZHAKRXHFOHY-KRWDZBQOSA-N -1 3 384.220 3.526 20 10 GHCDHM Cc1cc(C(=O)N([C@H](C)C2CC2)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737228321 598610551 /nfs/dbraw/zinc/61/05/51/598610551.db2.gz WICUUVWYSMDHEX-CQSZACIVSA-N -1 3 390.491 3.677 20 10 GHCDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N(Cc1ccccc1O)C1CCCCC1 ZINC000738152688 598813338 /nfs/dbraw/zinc/81/33/38/598813338.db2.gz XLYNEYUBZRKSNN-UHFFFAOYSA-N -1 3 392.463 3.939 20 10 GHCDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccccc1O)C1CCCCC1 ZINC000738152688 598813341 /nfs/dbraw/zinc/81/33/41/598813341.db2.gz XLYNEYUBZRKSNN-UHFFFAOYSA-N -1 3 392.463 3.939 20 10 GHCDHM Clc1ccc(-c2nnn[n-]2)c(N2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000737571017 599401848 /nfs/dbraw/zinc/40/18/48/599401848.db2.gz PWQCBANMEPUUJP-UHFFFAOYSA-N -1 3 377.839 3.690 20 10 GHCDHM Clc1ccc(-c2nn[n-]n2)c(N2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000737571017 599401852 /nfs/dbraw/zinc/40/18/52/599401852.db2.gz PWQCBANMEPUUJP-UHFFFAOYSA-N -1 3 377.839 3.690 20 10 GHCDHM Fc1cc(NNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1Cl ZINC000822753199 606167871 /nfs/dbraw/zinc/16/78/71/606167871.db2.gz IQRQGKKJMGGLAU-UHFFFAOYSA-N -1 3 398.254 3.626 20 10 GHCDHM Fc1cc(NNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1Cl ZINC000822753199 606167872 /nfs/dbraw/zinc/16/78/72/606167872.db2.gz IQRQGKKJMGGLAU-UHFFFAOYSA-N -1 3 398.254 3.626 20 10 GHCDHM Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)s3)SC2=S)c1 ZINC000822308281 606394247 /nfs/dbraw/zinc/39/42/47/606394247.db2.gz BNZBVICKCGFYSY-MDWZMJQESA-N -1 3 385.499 3.642 20 10 GHCDHM Clc1ccc(C2=CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)cn1 ZINC000826351712 608296664 /nfs/dbraw/zinc/29/66/64/608296664.db2.gz XJPMXXGJEYBDDV-UHFFFAOYSA-N -1 3 389.850 3.757 20 10 GHCDHM Clc1ccc(C2=CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)cn1 ZINC000826351712 608296666 /nfs/dbraw/zinc/29/66/66/608296666.db2.gz XJPMXXGJEYBDDV-UHFFFAOYSA-N -1 3 389.850 3.757 20 10 GHCDHM Cc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)c(Br)c1 ZINC000014255877 838367503 /nfs/dbraw/zinc/36/75/03/838367503.db2.gz CTIVIELWPMKWHU-UHFFFAOYSA-N -1 3 384.280 3.563 20 10 GHCDHM O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)c1cccc(O)c1[O-] ZINC001137543649 854598642 /nfs/dbraw/zinc/59/86/42/854598642.db2.gz QBFUDJGWBPOBSM-UHFFFAOYSA-N -1 3 378.158 3.936 20 10 GHCDHM [O-]c1c(F)cc(Cl)cc1CN[C@H](CO)c1ccccc1OC(F)(F)F ZINC000793349131 882144196 /nfs/dbraw/zinc/14/41/96/882144196.db2.gz QBPKWAAUTKTTAK-CYBMUJFWSA-N -1 3 379.737 3.907 20 10 GHCDHM COc1cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc(OC)c1F ZINC001194318173 871617026 /nfs/dbraw/zinc/61/70/26/871617026.db2.gz UICVOIQUOMOSGP-UHFFFAOYSA-N -1 3 390.798 3.680 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1nc(-c2ccccc2)c[nH]1 ZINC001195347931 872341781 /nfs/dbraw/zinc/34/17/81/872341781.db2.gz RDSYGQBVHHRIDP-UHFFFAOYSA-N -1 3 378.819 3.914 20 10 GHCDHM CC(C)Nc1nc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cs1 ZINC001195688907 872554038 /nfs/dbraw/zinc/55/40/38/872554038.db2.gz SQQWHVYTYPEBPI-UHFFFAOYSA-N -1 3 376.869 3.801 20 10 GHCDHM CC[C@@H](NC(c1nccn1C)c1nccn1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000527947838 873792926 /nfs/dbraw/zinc/79/29/26/873792926.db2.gz OCFACNSNINAOFO-CQSZACIVSA-N -1 3 393.413 3.708 20 10 GHCDHM O=C(c1ccc(Cl)cc1F)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000769315765 873960772 /nfs/dbraw/zinc/96/07/72/873960772.db2.gz WJELZJBOPQAPHS-UHFFFAOYSA-N -1 3 383.250 3.796 20 10 GHCDHM [O-]c1ccc(Cl)cc1CN1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000769386540 874014475 /nfs/dbraw/zinc/01/44/75/874014475.db2.gz AOTOYWPWDMLKJO-SFHVURJKSA-N -1 3 381.303 3.550 20 10 GHCDHM CCC(CC)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccs1 ZINC000769715750 874248500 /nfs/dbraw/zinc/24/85/00/874248500.db2.gz DLCSENNMECLSBA-KRWDZBQOSA-N -1 3 396.534 3.733 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC(c3nc(-c4ccccn4)no3)CC2)c1[O-] ZINC000177274947 882814226 /nfs/dbraw/zinc/81/42/26/882814226.db2.gz RLXIXZFQEDMQAT-UHFFFAOYSA-N -1 3 396.422 3.559 20 10 GHCDHM CCN1CCN(c2cccc([N-]S(=O)(=O)c3cccc4ccccc43)c2)CC1 ZINC000769848919 874324305 /nfs/dbraw/zinc/32/43/05/874324305.db2.gz RQGDMTLLLCEPBS-UHFFFAOYSA-N -1 3 395.528 3.783 20 10 GHCDHM Cc1ccc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)c([O-])c1O ZINC000770483928 874727663 /nfs/dbraw/zinc/72/76/63/874727663.db2.gz UQTHHWDBPZDGMU-UHFFFAOYSA-N -1 3 389.411 3.885 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cncc(OC(F)F)c1 ZINC001199299568 874894434 /nfs/dbraw/zinc/89/44/34/874894434.db2.gz AHLUUOWRAHMUGT-UHFFFAOYSA-N -1 3 379.750 3.520 20 10 GHCDHM COc1ccc(C(=O)N(C)C)cc1NCc1cc(C)cc(Br)c1[O-] ZINC001201257669 875596071 /nfs/dbraw/zinc/59/60/71/875596071.db2.gz UCLKJGYLFZJCPW-UHFFFAOYSA-N -1 3 393.281 3.786 20 10 GHCDHM CC[C@@H](C)N(Cc1cc(F)cc(C(C)=O)c1[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000175681031 877423094 /nfs/dbraw/zinc/42/30/94/877423094.db2.gz BZWBHFKBLBYVFB-CYBMUJFWSA-N -1 3 397.450 3.771 20 10 GHCDHM COc1ccc2ccc([O-])c(CN3CCn4ncc(Br)c4C3)c2c1 ZINC000853600315 879157026 /nfs/dbraw/zinc/15/70/26/879157026.db2.gz VTMBHWWOEUSPLP-UHFFFAOYSA-N -1 3 388.265 3.529 20 10 GHCDHM O=C1[C@H](NCc2c([O-])ccc(Cl)c2F)CCCN1Cc1ccc(F)cc1F ZINC000790990275 880121041 /nfs/dbraw/zinc/12/10/41/880121041.db2.gz DUBRSHSNQWKSDP-MRXNPFEDSA-N -1 3 398.812 3.744 20 10 GHCDHM Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3c([O-])ccc(Cl)c3F)C2)nc1 ZINC000792162079 880929315 /nfs/dbraw/zinc/92/93/15/880929315.db2.gz BMNKAELSJGOKBF-CYBMUJFWSA-N -1 3 377.847 3.739 20 10 GHCDHM COC(=O)CN(Cc1ccc(Br)o1)Cc1cc(Cl)ccc1[O-] ZINC000792167549 880959379 /nfs/dbraw/zinc/95/93/79/880959379.db2.gz JXXFDTCNKQXQNG-UHFFFAOYSA-N -1 3 388.645 3.576 20 10 GHCDHM CN(C)[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-])c1ccsc1 ZINC000804903305 883467242 /nfs/dbraw/zinc/46/72/42/883467242.db2.gz JJBUUTGSNLKQBS-CQSZACIVSA-N -1 3 388.320 3.863 20 10 GHCDHM CC(C)(C)OC(=O)[C@@H]1CN(Cc2cc3oc4ccccc4c3cc2[O-])CCO1 ZINC000747464932 886099583 /nfs/dbraw/zinc/09/95/83/886099583.db2.gz DAVLGSJRGTXWHV-FQEVSTJZSA-N -1 3 383.444 3.834 20 10 GHCDHM CC(C)NC(=O)OC[C@H]1CCCCN1Cc1cccc(Br)c1[O-] ZINC000809721042 887746960 /nfs/dbraw/zinc/74/69/60/887746960.db2.gz RQCACKBUQMLJPJ-CQSZACIVSA-N -1 3 385.302 3.644 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2C[C@H](C)NC(=O)c3ccccc32)c1 ZINC000811508197 889700736 /nfs/dbraw/zinc/70/07/36/889700736.db2.gz FKFSFQFSTHMLOI-LBPRGKRZSA-N -1 3 375.266 3.602 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCC(Oc3cncc(Cl)n3)CC2)c1[O-] ZINC000778189936 893178560 /nfs/dbraw/zinc/17/85/60/893178560.db2.gz KTKHKATVIMQOJJ-UHFFFAOYSA-N -1 3 396.274 3.735 20 10 GHCDHM COc1c([O-])c(CN(C)Cc2csc(Br)c2)ccc1[N+](=O)[O-] ZINC000774844903 913745792 /nfs/dbraw/zinc/74/57/92/913745792.db2.gz AZUOAAFWRWQXIJ-UHFFFAOYSA-N -1 3 387.255 3.765 20 10 GHCDHM C[C@H](Nc1cccc(N2C(=O)CN(C)C2=O)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000815611552 894042605 /nfs/dbraw/zinc/04/26/05/894042605.db2.gz NNQQUEYDBGHJCM-NSHDSACASA-N -1 3 393.365 3.983 20 10 GHCDHM [O-]c1c(F)cc(Br)cc1CNCc1cccnc1N1CCCC1 ZINC000883166002 897335023 /nfs/dbraw/zinc/33/50/23/897335023.db2.gz QHSQXXKLNDCUTI-UHFFFAOYSA-N -1 3 380.261 3.579 20 10 GHCDHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cc1 ZINC000003106797 898151392 /nfs/dbraw/zinc/15/13/92/898151392.db2.gz ZIJZXTHNIXLXBB-UHFFFAOYSA-N -1 3 378.450 3.803 20 10 GHCDHM C[C@H](NC(=O)C1=CC(=O)CS1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824514591 899651199 /nfs/dbraw/zinc/65/11/99/899651199.db2.gz OYZVOKGYHUWFCG-LBPRGKRZSA-N -1 3 391.456 3.792 20 10 GHCDHM [O-]c1cc(F)c(Br)cc1CN1CCN(CCc2cccs2)CC1 ZINC001144299635 901649571 /nfs/dbraw/zinc/64/95/71/901649571.db2.gz DEIUAOAKNXUPJC-UHFFFAOYSA-N -1 3 399.329 3.716 20 10 GHCDHM CC(C)N(C[C@@H](O)c1ccc2ccccc2c1)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148588601 904129447 /nfs/dbraw/zinc/12/94/47/904129447.db2.gz WJLAXEUYRAWRDP-HXUWFJFHSA-N -1 3 381.428 3.541 20 10 GHCDHM CCOC(=O)c1csc([C@@H]2CCCN2Cc2cc(F)cc(C(C)=O)c2[O-])n1 ZINC000191439998 908625147 /nfs/dbraw/zinc/62/51/47/908625147.db2.gz ZSUMDWJVFAHRGK-INIZCTEOSA-N -1 3 392.452 3.704 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@]12CC[C@H](O1)c1ccccc12 ZINC001182486620 911835633 /nfs/dbraw/zinc/83/56/33/911835633.db2.gz QCTJJIUOUJWRHN-LAUBAEHRSA-N -1 3 380.831 3.971 20 10 GHCDHM [O-]c1c(F)cc(Cl)cc1CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC001182712925 911996324 /nfs/dbraw/zinc/99/63/24/911996324.db2.gz DEDWGGMDMVEEOH-PMACEKPBSA-N -1 3 390.886 3.660 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCCc3ccc(S(C)(=O)=O)cc32)c1[O-] ZINC000750042980 927402743 /nfs/dbraw/zinc/40/27/43/927402743.db2.gz BWATWDZTUKPKJX-UHFFFAOYSA-N -1 3 393.892 3.605 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCN(c3ccc4ccccc4n3)CC2)c1[O-] ZINC000750826953 927878442 /nfs/dbraw/zinc/87/84/42/927878442.db2.gz UTDJHVFAWQUSKA-UHFFFAOYSA-N -1 3 379.435 3.604 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)c([O-])c1O ZINC000780919163 930639155 /nfs/dbraw/zinc/63/91/55/930639155.db2.gz BAMDJOKWXIBHSK-UHFFFAOYSA-N -1 3 388.423 3.861 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2ccccc2Br)CC1 ZINC000784766027 932000229 /nfs/dbraw/zinc/00/02/29/932000229.db2.gz VWAODFPYZQVIBZ-UHFFFAOYSA-N -1 3 376.250 3.880 20 10 GHCDHM [O-]c1cc(Br)ccc1CN1CCc2c(ncn2-c2ccccc2)C1 ZINC000929065323 933223733 /nfs/dbraw/zinc/22/37/33/933223733.db2.gz PZRDDHKSDYLINX-UHFFFAOYSA-N -1 3 384.277 3.899 20 10 GHCDHM C[C@@H]1C[C@H](C)N(c2nnc(-c3sc4ncccc4c3[O-])n2C[C@@H]2CCOC2)C1 ZINC001123030936 935061104 /nfs/dbraw/zinc/06/11/04/935061104.db2.gz OWHDMTGIZMASJC-RDBSUJKOSA-N -1 3 399.520 3.532 20 10 GHCDHM C[C@H]([NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593225795 994349155 /nfs/dbraw/zinc/34/91/55/994349155.db2.gz YGQHCMWKYZFYED-CFVMTHIKSA-N -1 3 378.469 3.577 20 10 GHCDHM Cc1nc(CN2CC[C@@]3(CCCN3Cc3cccc(Cl)c3[O-])C2=O)cs1 ZINC001277232561 1032520579 /nfs/dbraw/zinc/52/05/79/1032520579.db2.gz UHJBBZDAXPOSKB-IBGZPJMESA-N -1 3 391.924 3.578 20 10 GHCDHM COC(=O)[C@H](Oc1c(O)c([O-])ccc1C(=O)c1ccccc1)c1cccc(F)c1 ZINC001227939887 1032707353 /nfs/dbraw/zinc/70/73/53/1032707353.db2.gz FKVUWGZVXYKBEK-HXUWFJFHSA-N -1 3 396.370 3.761 20 10 GHCDHM [O-]c1cccc(Cl)c1CN1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001140339226 1021447205 /nfs/dbraw/zinc/44/72/05/1021447205.db2.gz GCBPXHLLSGNWLZ-VVFCZOMOSA-N -1 3 394.924 3.698 20 10 GHCDHM O=S1(=O)CCCN(Cc2cc3oc4ccccc4c3cc2[O-])[C@H](C2CC2)C1 ZINC000902624674 1021526554 /nfs/dbraw/zinc/52/65/54/1021526554.db2.gz OUXLSJJZEORNIQ-SFHVURJKSA-N -1 3 385.485 3.691 20 10 GHCDHM CCOC[C@H]1CN(Cc2ccc(Cl)cc2[O-])Cc2nn(CC3CC3)cc21 ZINC001140463257 1021754761 /nfs/dbraw/zinc/75/47/61/1021754761.db2.gz YDILLXXQMGYGAL-MRXNPFEDSA-N -1 3 375.900 3.788 20 10 GHCDHM O=C(NCc1ccc(Cl)cc1)C1CCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140584836 1022009059 /nfs/dbraw/zinc/00/90/59/1022009059.db2.gz GIFBPUAPWIUFLY-UHFFFAOYSA-N -1 3 394.849 3.852 20 10 GHCDHM O=S1(=O)CCN(Cc2c3c(ccc2[O-])oc2c3CCCC2)[C@@H]2CCCC[C@H]21 ZINC000754012886 1022424208 /nfs/dbraw/zinc/42/42/08/1022424208.db2.gz LZFRSTNQIDZYRI-OXQOHEQNSA-N -1 3 389.517 3.559 20 10 GHCDHM COC(=O)CN(Cc1ccnn1-c1ccccc1C)Cc1cc(Cl)ccc1[O-] ZINC001204867123 1033131829 /nfs/dbraw/zinc/13/18/29/1033131829.db2.gz SQYTZUSVSCFITH-UHFFFAOYSA-N -1 3 399.878 3.715 20 10 GHCDHM COc1ccc(N2CCN(CCCNc3cc(F)ccc3[S-])CC2)cc1 ZINC001164335713 1026489244 /nfs/dbraw/zinc/48/92/44/1026489244.db2.gz HYPIRMUSLXUVJQ-UHFFFAOYSA-N -1 3 375.513 3.747 20 10 GHCDHM O=C(NCc1ccc(Cl)cc1)C1CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139690578 1026542104 /nfs/dbraw/zinc/54/21/04/1026542104.db2.gz YGTJKLWTOYIDOJ-UHFFFAOYSA-N -1 3 394.849 3.852 20 10 GHCDHM [O-]c1cccc(Br)c1CN1Cc2cc(Br)cnc2C1 ZINC001140100794 1026878977 /nfs/dbraw/zinc/87/89/77/1026878977.db2.gz BTPYRYVHNOZTJR-UHFFFAOYSA-N -1 3 384.071 3.828 20 10 GHCDHM CN(Cc1c([O-])cccc1Br)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140101175 1026879214 /nfs/dbraw/zinc/87/92/14/1026879214.db2.gz LKRKTLPPFFADQI-LBPRGKRZSA-N -1 3 385.302 3.596 20 10 GHCDHM C[C@H](NCc1nccc(C(F)(F)F)n1)c1ccc(Br)cc1[O-] ZINC000840870428 1027908924 /nfs/dbraw/zinc/90/89/24/1027908924.db2.gz ZYLWQAPVDUTELK-QMMMGPOBSA-N -1 3 376.176 3.814 20 10 GHCDHM COCc1c(Br)cccc1NC(=O)NCc1c([O-])cccc1F ZINC001215055657 1029015930 /nfs/dbraw/zinc/01/59/30/1029015930.db2.gz GKHFXTBLPMIODR-UHFFFAOYSA-N -1 3 383.217 3.762 20 10 GHCDHM Cc1cccc(NC(=O)c2cccc(O)c2[O-])c1C(=O)NCCc1ccccc1 ZINC001142645609 1029201870 /nfs/dbraw/zinc/20/18/70/1029201870.db2.gz AVHQCPQTQDOSDT-UHFFFAOYSA-N -1 3 390.439 3.631 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)Nc1nc(SCc2ccccc2)ns1 ZINC001215702097 1029355222 /nfs/dbraw/zinc/35/52/22/1029355222.db2.gz FMYDKIZFRIYPLE-UHFFFAOYSA-N -1 3 390.465 3.997 20 10 GHCDHM Cc1cc(OC2CCC3(CC2)OCCO3)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229538288 1033547231 /nfs/dbraw/zinc/54/72/31/1033547231.db2.gz ATBRAZPGVQGSNC-UHFFFAOYSA-N -1 3 394.423 3.541 20 10 GHCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC(CC3CCCCC3)CC2)c1 ZINC001157506717 1033626295 /nfs/dbraw/zinc/62/62/95/1033626295.db2.gz MTJRFZALPMWODI-UHFFFAOYSA-N -1 3 394.537 3.586 20 10 GHCDHM COC(=O)c1ccc2c(c1)ncnc2NCc1cc(Cl)c2cccnc2c1[O-] ZINC001157723692 1033739870 /nfs/dbraw/zinc/73/98/70/1033739870.db2.gz APWNZGNJSIDGNX-UHFFFAOYSA-N -1 3 394.818 3.936 20 10 GHCDHM CCOC(=O)c1cnc(NCc2cc(Cl)c3cccnc3c2[O-])c(OC)c1 ZINC001157726744 1033742071 /nfs/dbraw/zinc/74/20/71/1033742071.db2.gz WUMRUPBJRRHYNP-UHFFFAOYSA-N -1 3 387.823 3.786 20 10 GHCDHM Cc1cc([O-])c(CN(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)c(Cl)c1 ZINC001461876224 1069823655 /nfs/dbraw/zinc/82/36/55/1069823655.db2.gz WTFDIYWRLLMMEF-HNNXBMFYSA-N -1 3 386.300 3.968 20 10 GHCDHM CCOC(=O)C[C@H]1CC[C@H](C[N@H+](CC)Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001231566647 1034714736 /nfs/dbraw/zinc/71/47/36/1034714736.db2.gz PMDGVABMIKOTRX-WKILWMFISA-N -1 3 377.481 3.672 20 10 GHCDHM CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001231566647 1034714749 /nfs/dbraw/zinc/71/47/49/1034714749.db2.gz PMDGVABMIKOTRX-WKILWMFISA-N -1 3 377.481 3.672 20 10 GHCDHM Cc1cc(C(F)(F)NCc2cc(Br)ccc2[O-])c(Cl)nn1 ZINC001160018817 1034831233 /nfs/dbraw/zinc/83/12/33/1034831233.db2.gz HCWIAOIIDRQEED-UHFFFAOYSA-N -1 3 378.604 3.746 20 10 GHCDHM Cc1cc([O-])c(CN2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)cc1Cl ZINC001231869833 1034956662 /nfs/dbraw/zinc/95/66/62/1034956662.db2.gz XDITXVSHCFBXHF-MOXGXCLJSA-N -1 3 388.895 3.807 20 10 GHCDHM [O-]c1c(CN2CCOC[C@H]2c2nccc(N3CCCC3)n2)ccc2ccccc21 ZINC001231880205 1034964796 /nfs/dbraw/zinc/96/47/96/1034964796.db2.gz IRLDHGZUPNRYEQ-FQEVSTJZSA-N -1 3 390.487 3.509 20 10 GHCDHM O=C(CCC1CCCC1)N1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC001462013616 1069945697 /nfs/dbraw/zinc/94/56/97/1069945697.db2.gz LXVVFWIUWJITSM-UHFFFAOYSA-N -1 3 395.341 3.769 20 10 GHCDHM C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1c([O-])cccc1Br ZINC001462071589 1069980099 /nfs/dbraw/zinc/98/00/99/1069980099.db2.gz NIGZHVHCUSZBGA-STQMWFEESA-N -1 3 399.329 3.984 20 10 GHCDHM [O-]c1ccc(F)c(F)c1CN1CCN(c2ccc(Br)cc2)CC1 ZINC001233332336 1039129224 /nfs/dbraw/zinc/12/92/24/1039129224.db2.gz HNDHWUSYIKIPEJ-UHFFFAOYSA-N -1 3 383.236 3.755 20 10 GHCDHM [O-]c1ccc(F)c(F)c1CN1CC(c2ncn3cc(Br)ccc23)C1 ZINC001233335065 1039136994 /nfs/dbraw/zinc/13/69/94/1039136994.db2.gz GFCZKWCSWPCRFG-UHFFFAOYSA-N -1 3 394.219 3.680 20 10 GHCDHM Cc1ncsc1CN1CC2(C1)CCCN(Cc1c(F)ccc(F)c1[O-])C2 ZINC001278686794 1039248409 /nfs/dbraw/zinc/24/84/09/1039248409.db2.gz ITTDCMYBFAPCPR-UHFFFAOYSA-N -1 3 379.476 3.533 20 10 GHCDHM Cc1cc([O-])c(CN[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)cc1Cl ZINC001462385364 1070215955 /nfs/dbraw/zinc/21/59/55/1070215955.db2.gz GRAZQWNGHYPRGB-CYBMUJFWSA-N -1 3 382.810 3.899 20 10 GHCDHM Cc1ccc([C@H](C)Oc2cc([O-])cc3oc4cc([O-])c(O)cc4c(=O)c23)cn1 ZINC001234748889 1040274678 /nfs/dbraw/zinc/27/46/78/1040274678.db2.gz NBJBLDUQTFEDSE-NSHDSACASA-N -1 3 379.368 3.906 20 10 GHCDHM Cc1ccc([C@H](C)Oc2cc([O-])cc3oc4cc(O)c(O)cc4c(=O)c23)cn1 ZINC001234748889 1040274692 /nfs/dbraw/zinc/27/46/92/1040274692.db2.gz NBJBLDUQTFEDSE-NSHDSACASA-N -1 3 379.368 3.906 20 10 GHCDHM CCOC(=O)C[C@H]1CCN(Cc2cc(F)cc(Br)c2[O-])C[C@@H]1C ZINC001235307104 1040781740 /nfs/dbraw/zinc/78/17/40/1040781740.db2.gz KWGYTFLZLPMWLN-NWDGAFQWSA-N -1 3 388.277 3.705 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@H](Oc3nccc(C)n3)C2)c1 ZINC001236671079 1041818700 /nfs/dbraw/zinc/81/87/00/1041818700.db2.gz SDUBUCIZQUEJMV-HNNXBMFYSA-N -1 3 392.297 3.605 20 10 GHCDHM COc1ccc(CN2C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C2)c([O-])c1Cl ZINC001236808355 1041908545 /nfs/dbraw/zinc/90/85/45/1041908545.db2.gz XIWQJSVRQMGTGD-TZMCWYRMSA-N -1 3 384.904 3.789 20 10 GHCDHM CN(C)C(=O)N1CCCC12CCN(Cc1c([O-])ccc(Cl)c1Cl)CC2 ZINC001237081740 1042027837 /nfs/dbraw/zinc/02/78/37/1042027837.db2.gz UATYIQQYMBPRPT-UHFFFAOYSA-N -1 3 386.323 3.811 20 10 GHCDHM CSc1ncc2c(n1)CN(Cc1cc(Br)c(C)cc1[O-])CC2 ZINC001237680970 1042322205 /nfs/dbraw/zinc/32/22/05/1042322205.db2.gz GDYXWUIPHLFPLI-UHFFFAOYSA-N -1 3 380.311 3.533 20 10 GHCDHM [O-]c1c(Cl)cc(F)cc1CN1CCC2(C[C@H](Oc3cccnc3)CO2)CC1 ZINC001237799216 1042376346 /nfs/dbraw/zinc/37/63/46/1042376346.db2.gz FRWQDXVYPGTAGL-KRWDZBQOSA-N -1 3 392.858 3.782 20 10 GHCDHM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)cc1Br ZINC001261039867 1045858856 /nfs/dbraw/zinc/85/88/56/1045858856.db2.gz WCBBEWAKUJEDGG-UHFFFAOYSA-N -1 3 386.267 3.581 20 10 GHCDHM COc1cc(CNCc2c([O-])ccc(Cl)c2F)c(Br)cc1O ZINC001308455708 1049980208 /nfs/dbraw/zinc/98/02/08/1049980208.db2.gz OCLRRZQDAGBTGC-UHFFFAOYSA-N -1 3 390.636 3.951 20 10 GHCDHM COc1ccc(C2=NO[C@@H](CNCc3c([O-])ccc(Cl)c3F)C2)cc1C ZINC001308924104 1050177658 /nfs/dbraw/zinc/17/76/58/1050177658.db2.gz SABDIPNPEPBKNS-CYBMUJFWSA-N -1 3 378.831 3.785 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N(C)Cc1cccc(C)n1 ZINC001340987729 1060312848 /nfs/dbraw/zinc/31/28/48/1060312848.db2.gz VWXMMXFREKNHQV-UHFFFAOYSA-N -1 3 380.477 3.620 20 10 GHCDHM O=C([N-]c1c2nonc2ccc1Cl)c1cnc(Br)c(Cl)c1 ZINC001346939922 1061995259 /nfs/dbraw/zinc/99/52/59/1061995259.db2.gz CLZRWQYUIWJSOU-UHFFFAOYSA-N -1 3 388.008 3.939 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC(F)(F)C[C@H]1C ZINC001357516145 1067141508 /nfs/dbraw/zinc/14/15/08/1067141508.db2.gz GVENHPLDGYSPIM-SNVBAGLBSA-N -1 3 379.436 3.904 20 10 GHCDHM O=Cc1cccc(OCc2cccc(C(=O)NCc3c([O-])cccc3F)c2)c1 ZINC001471975835 1073288680 /nfs/dbraw/zinc/28/86/80/1073288680.db2.gz JFOHZEPMJMJUFC-UHFFFAOYSA-N -1 3 379.387 3.853 20 10 GHCDHM C[C@@H](NCc1c([O-])cccc1Br)c1noc(Cc2ccccc2)n1 ZINC001474041101 1074245713 /nfs/dbraw/zinc/24/57/13/1074245713.db2.gz KNPRIOHEZASNME-GFCCVEGCSA-N -1 3 388.265 3.979 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2ccc3c(c2)C(=O)N(C)CC3)c1 ZINC001474051891 1074248755 /nfs/dbraw/zinc/24/87/55/1074248755.db2.gz QXQQMPBXTVWQAN-UHFFFAOYSA-N -1 3 375.266 3.703 20 10 GHCDHM COc1ccc2[nH]cc(C3=CCN(c4cccc(F)c4-c4nnn[n-]4)CC3)c2c1 ZINC000737116681 598239489 /nfs/dbraw/zinc/23/94/89/598239489.db2.gz WGLPPHIFWWDWGM-UHFFFAOYSA-N -1 3 390.422 3.789 20 10 GHCDHM COc1ccc2[nH]cc(C3=CCN(c4cccc(F)c4-c4nn[n-]n4)CC3)c2c1 ZINC000737116681 598239490 /nfs/dbraw/zinc/23/94/90/598239490.db2.gz WGLPPHIFWWDWGM-UHFFFAOYSA-N -1 3 390.422 3.789 20 10 GHCDHM CCN(C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)c1ccccc1 ZINC000736506503 598610321 /nfs/dbraw/zinc/61/03/21/598610321.db2.gz ZYIHWKVQKRSCAP-UHFFFAOYSA-N -1 3 386.459 3.941 20 10 GHCDHM C[C@@H]1CCCC[C@@H]1N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)SC1=S ZINC000820705260 606393227 /nfs/dbraw/zinc/39/32/27/606393227.db2.gz SKCMZKFNEQHKPO-QMNRKCHLSA-N -1 3 391.547 3.708 20 10 GHCDHM Cn1nc(C(F)(F)F)c(CNCc2cccc(Br)c2[O-])c1Cl ZINC000278433182 835069987 /nfs/dbraw/zinc/06/99/87/835069987.db2.gz UJMYCEXONVREEO-UHFFFAOYSA-N -1 3 398.610 3.850 20 10 GHCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H](C)COCc1ccccc1 ZINC001167740768 840350304 /nfs/dbraw/zinc/35/03/04/840350304.db2.gz ODDPABLLHXVSDX-INIZCTEOSA-N -1 3 391.895 3.874 20 10 GHCDHM O=C(Cc1ccc(NCc2c([O-])cccc2Cl)cc1)N1CCSCC1 ZINC000126070319 843260480 /nfs/dbraw/zinc/26/04/80/843260480.db2.gz SAZADTYOLTXVDV-UHFFFAOYSA-N -1 3 376.909 3.776 20 10 GHCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1cccc(NC(=O)c2ccccc2)c1 ZINC000186932764 862309416 /nfs/dbraw/zinc/30/94/16/862309416.db2.gz ISJTUQQILUHSKL-AWEZNQCLSA-N -1 3 376.412 3.841 20 10 GHCDHM O=C1N[C@H](c2cc(O)cc(Br)c2[O-])Nc2c3ccccc3sc21 ZINC000172860012 864034924 /nfs/dbraw/zinc/03/49/24/864034924.db2.gz ZCTRKRVNYAUNML-OAHLLOKOSA-N -1 3 391.246 3.929 20 10 GHCDHM CCOC(=O)c1ccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc1 ZINC001195105321 872201184 /nfs/dbraw/zinc/20/11/84/872201184.db2.gz BOFCCLMKVWVTGR-UHFFFAOYSA-N -1 3 384.819 3.701 20 10 GHCDHM Cc1ccc(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)c([O-])c1O ZINC000182455136 872375322 /nfs/dbraw/zinc/37/53/22/872375322.db2.gz ZUFAYLZKAYTOPZ-MHZLTWQESA-N -1 3 381.453 3.966 20 10 GHCDHM CN(CC(=O)Nc1ccccc1Cl)Cc1cccc(Br)c1[O-] ZINC000768168949 873126962 /nfs/dbraw/zinc/12/69/62/873126962.db2.gz AHXQTBINALOFJS-UHFFFAOYSA-N -1 3 383.673 3.879 20 10 GHCDHM O=C(c1ccc(F)cc1Cl)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000769148789 873847833 /nfs/dbraw/zinc/84/78/33/873847833.db2.gz RZRBARUWOWAIGU-UHFFFAOYSA-N -1 3 383.250 3.796 20 10 GHCDHM CCOc1ccc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])cc1OC ZINC000769380339 874008421 /nfs/dbraw/zinc/00/84/21/874008421.db2.gz UIGNNZOVIQWCHG-UHFFFAOYSA-N -1 3 393.867 3.628 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1scnc1C1CC1 ZINC000130749160 883050271 /nfs/dbraw/zinc/05/02/71/883050271.db2.gz RMIBQXOAUICULI-OAHLLOKOSA-N -1 3 391.924 3.774 20 10 GHCDHM O=C(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179932113 878215035 /nfs/dbraw/zinc/21/50/35/878215035.db2.gz QTGMRRPVOIQLKW-UHFFFAOYSA-N -1 3 382.357 3.508 20 10 GHCDHM Cc1oc2c(ccc([O-])c2CN2C[C@@H]3COC[C@@]3(C)C2)c(=O)c1-c1ccccc1 ZINC000853567727 879124005 /nfs/dbraw/zinc/12/40/05/879124005.db2.gz XAECQUVZLNFUMQ-MZNJEOGPSA-N -1 3 391.467 3.942 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 ZINC000790930922 880071550 /nfs/dbraw/zinc/07/15/50/880071550.db2.gz QZIIZRPYDPVLLU-INIZCTEOSA-N -1 3 379.416 3.905 20 10 GHCDHM CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000792035590 880887040 /nfs/dbraw/zinc/88/70/40/880887040.db2.gz LWEQLQIKNQUSNP-UHFFFAOYSA-N -1 3 376.456 3.654 20 10 GHCDHM O=C(CCCc1ccc([O-])c(F)c1)NCc1cc(Br)ccc1O ZINC000804737671 883320766 /nfs/dbraw/zinc/32/07/66/883320766.db2.gz VRDPEBAEOGNMLM-UHFFFAOYSA-N -1 3 382.229 3.639 20 10 GHCDHM CCOC(=O)[C@@H](NCc1cc(Cl)c(C)cc1[O-])c1ccc(OC)c(F)c1 ZINC000825563184 886982590 /nfs/dbraw/zinc/98/25/90/886982590.db2.gz UUAPQAPHRLZWPD-SFHVURJKSA-N -1 3 381.831 3.896 20 10 GHCDHM Cc1cc(CNC(=O)CCc2c(C)nc(C)[n-]c2=O)c(C)n1-c1cccc(C)c1 ZINC000863941123 887472990 /nfs/dbraw/zinc/47/29/90/887472990.db2.gz WADKVSBWJQDBGC-UHFFFAOYSA-N -1 3 392.503 3.764 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCCC[C@@H]2COC(=O)NC2CC2)c1 ZINC000811510483 889702840 /nfs/dbraw/zinc/70/28/40/889702840.db2.gz HZVYNKJSQZOKRU-OAHLLOKOSA-N -1 3 397.313 3.706 20 10 GHCDHM CC(C)OCc1cc([N-]S(=O)(=O)c2cccc3c2CCCC3)ccc1O ZINC000811705186 889880045 /nfs/dbraw/zinc/88/00/45/889880045.db2.gz KMSQGCSEFWGYQS-UHFFFAOYSA-N -1 3 375.490 3.997 20 10 GHCDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)cc1C ZINC000811703838 889880398 /nfs/dbraw/zinc/88/03/98/889880398.db2.gz IJSULPMRPBDNIF-UHFFFAOYSA-N -1 3 379.478 3.825 20 10 GHCDHM CN(Cc1cc2oc3ccccc3c2cc1[O-])Cc1ccccc1S(N)(=O)=O ZINC000814233394 892425501 /nfs/dbraw/zinc/42/55/01/892425501.db2.gz NPNHUSQPWJYLER-UHFFFAOYSA-N -1 3 396.468 3.571 20 10 GHCDHM CC(C)(O)[C@@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000877836426 893840173 /nfs/dbraw/zinc/84/01/73/893840173.db2.gz WZTGVPXYBPCSNO-SNVBAGLBSA-N -1 3 393.119 3.510 20 10 GHCDHM COC(=O)CN(Cc1ncc(CSC)s1)Cc1cc(Cl)ccc1[O-] ZINC000816506852 894885891 /nfs/dbraw/zinc/88/58/91/894885891.db2.gz OKCJQIJIWZMPBA-UHFFFAOYSA-N -1 3 386.926 3.540 20 10 GHCDHM CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000816825881 895116230 /nfs/dbraw/zinc/11/62/30/895116230.db2.gz POZPWNWQGCSPGG-UHFFFAOYSA-N -1 3 394.393 3.520 20 10 GHCDHM CC[C@H](C)CO[N-]C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000816979995 895237259 /nfs/dbraw/zinc/23/72/59/895237259.db2.gz CIVMNNOZGDTXGN-LQELWAHVSA-N -1 3 398.575 3.823 20 10 GHCDHM Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCCC3)c2)c([O-])c1O ZINC000817482382 895652328 /nfs/dbraw/zinc/65/23/28/895652328.db2.gz MECOUGIKXQHESI-UHFFFAOYSA-N -1 3 389.473 3.765 20 10 GHCDHM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000817882028 895948447 /nfs/dbraw/zinc/94/84/47/895948447.db2.gz VFYHTYWIVSKWRO-HOCLYGCPSA-N -1 3 395.341 3.982 20 10 GHCDHM CCN(Cc1cccc(S(C)(=O)=O)c1)Cc1cc(Br)ccc1[O-] ZINC000823477091 899049681 /nfs/dbraw/zinc/04/96/81/899049681.db2.gz JPIVZWUUVZIDII-UHFFFAOYSA-N -1 3 398.322 3.580 20 10 GHCDHM CC(C)(C)OC(=O)C[C@H]1CCCN1Cc1cc(Br)c(F)cc1[O-] ZINC001144307606 901696995 /nfs/dbraw/zinc/69/69/95/901696995.db2.gz BPQFPLIAXZVDFI-GFCCVEGCSA-N -1 3 388.277 3.990 20 10 GHCDHM O=C(c1cc2sccc2s1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000779030657 903171055 /nfs/dbraw/zinc/17/10/55/903171055.db2.gz YKECIOQPRJPUSD-UHFFFAOYSA-N -1 3 376.478 3.766 20 10 GHCDHM COC(=O)[C@@H](c1cccc(Br)c1)N(C)Cc1cc(F)ccc1[O-] ZINC000779029332 903189326 /nfs/dbraw/zinc/18/93/26/903189326.db2.gz BTTVJMPZTVXLGZ-MRXNPFEDSA-N -1 3 382.229 3.640 20 10 GHCDHM [O-]c1ccc(Br)cc1CN1Cc2cc(Br)cnc2C1 ZINC001203645409 914779957 /nfs/dbraw/zinc/77/99/57/914779957.db2.gz HEVBWZGOANOKQU-UHFFFAOYSA-N -1 3 384.071 3.828 20 10 GHCDHM COC(=O)[C@@H](NCc1ccc(Br)cc1[O-])c1ccc(F)c(C)c1 ZINC001181022040 910484760 /nfs/dbraw/zinc/48/47/60/910484760.db2.gz JSHSGVPDUJDGCY-INIZCTEOSA-N -1 3 382.229 3.606 20 10 GHCDHM CC(C)(C)NC(=O)N1CCN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1 ZINC000774559823 912106228 /nfs/dbraw/zinc/10/62/28/912106228.db2.gz ODAABWLABGFVCD-UHFFFAOYSA-N -1 3 385.508 3.643 20 10 GHCDHM Cc1c(O)ccc([N-]S(=O)(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c1C ZINC001187465990 915277489 /nfs/dbraw/zinc/27/74/89/915277489.db2.gz HKIWTZKQCDQGTD-UHFFFAOYSA-N -1 3 377.462 3.761 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cccc(-c2ncccn2)c1 ZINC001188425790 915934851 /nfs/dbraw/zinc/93/48/51/915934851.db2.gz RMWLMMDSZMKFBX-UHFFFAOYSA-N -1 3 390.830 3.981 20 10 GHCDHM CC[C@H](Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1ccc(F)cc1[O-] ZINC000796866187 932092780 /nfs/dbraw/zinc/09/27/80/932092780.db2.gz MATASSLEECCBCN-INIZCTEOSA-N -1 3 377.847 3.684 20 10 GHCDHM CN(Cc1ccco1)Cc1cncc2c1CCN(Cc1c([O-])cccc1F)C2 ZINC001137835595 935815322 /nfs/dbraw/zinc/81/53/22/935815322.db2.gz KPWHVGXWLHRNCH-UHFFFAOYSA-N -1 3 381.451 3.710 20 10 GHCDHM C[C@@H]([NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])c1ccccc1[O-] ZINC001599841019 988830760 /nfs/dbraw/zinc/83/07/60/988830760.db2.gz GDTKNKUIWGOXTM-SECBINFHSA-N -1 3 383.231 3.687 20 10 GHCDHM COc1ccc([C@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC001599530375 997639690 /nfs/dbraw/zinc/63/96/90/997639690.db2.gz CKLOPDGSTPEJHT-FQEVSTJZSA-N -1 3 399.447 3.509 20 10 GHCDHM COc1ccc(C)cc1C1(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])CCOCC1 ZINC001599534537 997719843 /nfs/dbraw/zinc/71/98/43/997719843.db2.gz WCNAMHFKAVJOOF-INIZCTEOSA-N -1 3 399.487 3.806 20 10 GHCDHM COc1cc(O[C@H]2CC=C(OC)CC2)c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O ZINC001227393460 1032401733 /nfs/dbraw/zinc/40/17/33/1032401733.db2.gz SONVPCFBPQOSQP-AWEZNQCLSA-N -1 3 394.423 3.946 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cnc2cccc(O)c2c1 ZINC001155542864 1032575833 /nfs/dbraw/zinc/57/58/33/1032575833.db2.gz CAKAYPJHVBKVQU-UHFFFAOYSA-N -1 3 379.803 3.778 20 10 GHCDHM CCOC(=O)C[C@H](Oc1c(O)c([O-])ccc1C(=O)c1ccccc1)C(F)(F)F ZINC001227938877 1032705683 /nfs/dbraw/zinc/70/56/83/1032705683.db2.gz ZHRCFEVCYJTSPB-AWEZNQCLSA-N -1 3 398.333 3.592 20 10 GHCDHM O=C(COc1ccc(Br)cc1Cl)NCc1c([O-])cccc1F ZINC001156163718 1032908933 /nfs/dbraw/zinc/90/89/33/1032908933.db2.gz BGZZOQHUPRWUNF-UHFFFAOYSA-N -1 3 388.620 3.642 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001156171182 1032912416 /nfs/dbraw/zinc/91/24/16/1032912416.db2.gz XICHDLLXIZAPNP-LJQANCHMSA-N -1 3 397.368 3.816 20 10 GHCDHM CC[C@H](C)n1nc(C)c(-c2cc(C(=O)NCc3c([O-])cccc3F)[nH]n2)c1C ZINC001156171371 1032912430 /nfs/dbraw/zinc/91/24/30/1032912430.db2.gz ZYRDQAQJOLKPOG-NSHDSACASA-N -1 3 385.443 3.636 20 10 GHCDHM [O-]c1cccc(Cl)c1CN1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001140339225 1021447020 /nfs/dbraw/zinc/44/70/20/1021447020.db2.gz GCBPXHLLSGNWLZ-URKNILKWSA-N -1 3 394.924 3.698 20 10 GHCDHM CS(=O)(=O)c1ccc(C2CCN(Cc3c([O-])cccc3Cl)CC2)cc1 ZINC001140342529 1021454990 /nfs/dbraw/zinc/45/49/90/1021454990.db2.gz NXXNVJSUQJBJRF-UHFFFAOYSA-N -1 3 379.909 3.829 20 10 GHCDHM O=C([O-])c1ccccc1CN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001140509074 1021896340 /nfs/dbraw/zinc/89/63/40/1021896340.db2.gz BNBGIUUUCXBYMR-UHFFFAOYSA-N -1 3 380.366 3.606 20 10 GHCDHM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2cccc(F)c2[O-])C[C@@H]1C(F)(F)F ZINC001138131062 1024186038 /nfs/dbraw/zinc/18/60/38/1024186038.db2.gz OFXJWWRALQZBQA-JSGCOSHPSA-N -1 3 392.393 3.809 20 10 GHCDHM [O-]c1ccc(F)cc1CN1Cc2ncn(CC3CC3)c2[C@H](COCC2CC2)C1 ZINC001140062635 1026842314 /nfs/dbraw/zinc/84/23/14/1026842314.db2.gz CDHOIYMUQJNESC-SFHVURJKSA-N -1 3 385.483 3.664 20 10 GHCDHM [O-]c1cccc(Br)c1CN1CCN(c2ccc(F)cc2F)CC1 ZINC001140101613 1026880627 /nfs/dbraw/zinc/88/06/27/1026880627.db2.gz ZGYJFKRGBNRKRZ-UHFFFAOYSA-N -1 3 383.236 3.755 20 10 GHCDHM O=C(Nc1ccccc1)C1=NO[C@]2(C1)CCCN(Cc1cc(Cl)ccc1[O-])C2 ZINC001203657113 1027511400 /nfs/dbraw/zinc/51/14/00/1027511400.db2.gz FACTWSTZQLPNGD-NRFANRHFSA-N -1 3 399.878 3.795 20 10 GHCDHM [O-]c1ccc(Cl)cc1CN1CCO[C@H]2[C@H]1CC[C@H]2COCc1cccnc1 ZINC001203658801 1027514937 /nfs/dbraw/zinc/51/49/37/1027514937.db2.gz PBHBDZPRVDHKBV-LDQXTDLNSA-N -1 3 388.895 3.637 20 10 GHCDHM [O-]c1ccc(Cl)cc1CN1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 ZINC001203659681 1027516376 /nfs/dbraw/zinc/51/63/76/1027516376.db2.gz XRKNXBQTZWNJDO-LAUBAEHRSA-N -1 3 388.895 3.891 20 10 GHCDHM [O-]c1ccc(Cl)cc1CN1CCCn2cnc(COCc3ccco3)c2C1 ZINC001203659093 1027516728 /nfs/dbraw/zinc/51/67/28/1027516728.db2.gz RNSGXIAJXKFLNG-UHFFFAOYSA-N -1 3 387.867 3.958 20 10 GHCDHM C[C@@H](NCc1nccc(C(F)(F)F)n1)c1cc(Br)ccc1[O-] ZINC000840868900 1027905842 /nfs/dbraw/zinc/90/58/42/1027905842.db2.gz FXIFETNWALQBIM-MRVPVSSYSA-N -1 3 376.176 3.814 20 10 GHCDHM CN(Cc1ccco1)Cc1cncc2c1CCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001142517429 1029022201 /nfs/dbraw/zinc/02/22/01/1029022201.db2.gz MVDIFGMOACRDDO-UHFFFAOYSA-N -1 3 399.441 3.849 20 10 GHCDHM [O-]c1c(O)cc(-c2nc(-c3cc(Cl)ccc3Br)no2)cc1O ZINC001215327847 1029156201 /nfs/dbraw/zinc/15/62/01/1029156201.db2.gz WMRDFGSVVXQNBE-UHFFFAOYSA-N -1 3 383.585 3.936 20 10 GHCDHM COc1cc(-c2noc(-c3ccc([O-])c(O)c3Cl)n2)ccc1-n1cnc(C)c1 ZINC001216952354 1030024896 /nfs/dbraw/zinc/02/48/96/1030024896.db2.gz WVMMEHSPJIRDSP-UHFFFAOYSA-N -1 3 398.806 3.971 20 10 GHCDHM CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(F)cc(Br)c1[O-] ZINC001276943953 1030871960 /nfs/dbraw/zinc/87/19/60/1030871960.db2.gz FGACAGYPYFZKEX-IUIKQTSFSA-N -1 3 399.304 3.658 20 10 GHCDHM COC(=O)[C@@H](NCc1ccc(Br)cc1[O-])c1cc(C)cc(C)c1 ZINC001205459700 1033422054 /nfs/dbraw/zinc/42/20/54/1033422054.db2.gz DBVNLBGFZYJHSA-KRWDZBQOSA-N -1 3 378.266 3.775 20 10 GHCDHM CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454108 1034597890 /nfs/dbraw/zinc/59/78/90/1034597890.db2.gz NOECDTLVFUUNCW-XYPHTWIQSA-N -1 3 375.465 3.565 20 10 GHCDHM CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454108 1034597898 /nfs/dbraw/zinc/59/78/98/1034597898.db2.gz NOECDTLVFUUNCW-XYPHTWIQSA-N -1 3 375.465 3.565 20 10 GHCDHM COC(=O)[C@H]1[C@H](c2ccccc2)OCCN1Cc1ccc2ccccc2c1[O-] ZINC001231882929 1034966016 /nfs/dbraw/zinc/96/60/16/1034966016.db2.gz DJMJACIDLNXJAG-IRLDBZIGSA-N -1 3 377.440 3.661 20 10 GHCDHM [O-]c1c(Cl)cccc1CN1CCC(Oc2ncc(Br)cn2)CC1 ZINC001231911813 1034986714 /nfs/dbraw/zinc/98/67/14/1034986714.db2.gz NUFTYPDHEYFVJZ-UHFFFAOYSA-N -1 3 398.688 3.642 20 10 GHCDHM CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(Cl)c([O-])cc1O ZINC001232267555 1037989596 /nfs/dbraw/zinc/98/95/96/1037989596.db2.gz JHCOANYLXAELOB-KRWDZBQOSA-N -1 3 388.895 3.593 20 10 GHCDHM C[C@H]1C(=O)CCN(Cc2ccc(I)cc2[O-])C12CCCC2 ZINC001232977604 1038746264 /nfs/dbraw/zinc/74/62/64/1038746264.db2.gz GILZTBSJYORDSH-LBPRGKRZSA-N -1 3 399.272 3.721 20 10 GHCDHM [O-]c1c(CN2CCCN(c3ncccc3C(F)(F)F)CC2)ccc(F)c1F ZINC001233077697 1038842931 /nfs/dbraw/zinc/84/29/31/1038842931.db2.gz WRGUGFALCLEDRO-UHFFFAOYSA-N -1 3 387.352 3.797 20 10 GHCDHM COc1cc([O-])c(CN2CCc3ncc(Cl)cc3C2)cc1Br ZINC001233141218 1038920786 /nfs/dbraw/zinc/92/07/86/1038920786.db2.gz GFVVYEUBCKSRLX-UHFFFAOYSA-N -1 3 383.673 3.770 20 10 GHCDHM [O-]c1c(CN2CCn3cc(CN4CCCCC4)nc3C2)cccc1C(F)(F)F ZINC001233417066 1039275843 /nfs/dbraw/zinc/27/58/43/1039275843.db2.gz GUCQUQZZEFVLOH-UHFFFAOYSA-N -1 3 394.441 3.609 20 10 GHCDHM CC[C@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1ccc(OC)c(Cl)c1[O-] ZINC001277833414 1039868414 /nfs/dbraw/zinc/86/84/14/1039868414.db2.gz HYWYJCYEMPBWDS-XOBRGWDASA-N -1 3 380.916 3.810 20 10 GHCDHM C[C@H](Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12)c1ncccc1F ZINC001234752223 1040279986 /nfs/dbraw/zinc/27/99/86/1040279986.db2.gz FXEFYVOQCYDDPY-VIFPVBQESA-N -1 3 383.331 3.737 20 10 GHCDHM [O-]c1c(F)cc(Br)cc1CN1CCN2CCc3ccccc3[C@H]2C1 ZINC001235064385 1040552012 /nfs/dbraw/zinc/55/20/12/1040552012.db2.gz CJYVRQQOSJFARS-GOSISDBHSA-N -1 3 391.284 3.709 20 10 GHCDHM CC(C)OCCN(CCOC(C)C)Cc1cc(Br)cc(F)c1[O-] ZINC001235065638 1040555056 /nfs/dbraw/zinc/55/50/56/1040555056.db2.gz QYQMQKXHHJOSEJ-UHFFFAOYSA-N -1 3 392.309 3.946 20 10 GHCDHM CC(C)(C)OC(=O)C[C@H]1CCCN1Cc1cc(Br)cc(F)c1[O-] ZINC001235066790 1040557272 /nfs/dbraw/zinc/55/72/72/1040557272.db2.gz NJHYEUHBZRRKNL-CYBMUJFWSA-N -1 3 388.277 3.990 20 10 GHCDHM COC(=O)c1cccc(CN(C)Cc2cc(Br)cc(F)c2[O-])c1 ZINC001235066832 1040558162 /nfs/dbraw/zinc/55/81/62/1040558162.db2.gz OIZLDSQZYZRGCY-UHFFFAOYSA-N -1 3 382.229 3.712 20 10 GHCDHM [O-]c1c(F)cc(Br)cc1CN1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001235067942 1040558564 /nfs/dbraw/zinc/55/85/64/1040558564.db2.gz ATQCUERNVHTBBE-IRXDYDNUSA-N -1 3 391.284 3.753 20 10 GHCDHM Cc1cc([O-])c(CN2CC(O)(c3cccc(Br)c3)C2)c(Cl)c1 ZINC001462483019 1070291875 /nfs/dbraw/zinc/29/18/75/1070291875.db2.gz YUMSPJUSCKMZNE-UHFFFAOYSA-N -1 3 382.685 3.820 20 10 GHCDHM [O-]c1c(F)c(F)ccc1CN1CCN[C@@H](c2cccc(Br)c2)C1 ZINC001235799979 1041302975 /nfs/dbraw/zinc/30/29/75/1041302975.db2.gz MNKYEJKIKBZOBO-OAHLLOKOSA-N -1 3 383.236 3.579 20 10 GHCDHM [O-]c1c(Br)cc(Cl)cc1CN1CCN[C@@H](c2ccccc2)C1 ZINC001235856744 1041386008 /nfs/dbraw/zinc/38/60/08/1041386008.db2.gz ZYZFYNRBUPHMGK-MRXNPFEDSA-N -1 3 381.701 3.955 20 10 GHCDHM CCc1nc(C2CCN(Cc3cc(C)cc(Br)c3[O-])CC2)no1 ZINC001236669447 1041817411 /nfs/dbraw/zinc/81/74/11/1041817411.db2.gz MEADMASMXDSGOL-UHFFFAOYSA-N -1 3 380.286 3.788 20 10 GHCDHM COc1cc([O-])c(CN2Cc3ncn(C)c3[C@@H](COCC(C)C)C2)c(Cl)c1 ZINC001236795393 1041899046 /nfs/dbraw/zinc/89/90/46/1041899046.db2.gz KALZJTULSVYSAE-CQSZACIVSA-N -1 3 393.915 3.560 20 10 GHCDHM COc1cnc(OC2CCN(Cc3cc(Cl)c(Cl)cc3[O-])CC2)nc1 ZINC001236801188 1041903380 /nfs/dbraw/zinc/90/33/80/1041903380.db2.gz BJXNRYFNBFFHKH-UHFFFAOYSA-N -1 3 384.263 3.541 20 10 GHCDHM COc1cc([O-])c(CN2CCC[C@@H](NC(=O)c3ccccc3F)C2)c(Cl)c1 ZINC001236804892 1041906720 /nfs/dbraw/zinc/90/67/20/1041906720.db2.gz CIDPYGREMJCHII-CYBMUJFWSA-N -1 3 392.858 3.588 20 10 GHCDHM COc1cc([O-])c(CN2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)c(Cl)c1 ZINC001236806271 1041907208 /nfs/dbraw/zinc/90/72/08/1041907208.db2.gz SQCYSMXCMFOIHW-OAHLLOKOSA-N -1 3 392.858 3.588 20 10 GHCDHM COc1ccc(CN2C[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C2)c([O-])c1Cl ZINC001236808352 1041908712 /nfs/dbraw/zinc/90/87/12/1041908712.db2.gz XIWQJSVRQMGTGD-OCCSQVGLSA-N -1 3 384.904 3.789 20 10 GHCDHM CCOc1cccc(N2CCN(Cc3c([O-])cc(OC)cc3Cl)CC2)c1 ZINC001236808933 1041909335 /nfs/dbraw/zinc/90/93/35/1041909335.db2.gz RZGOGZGQAGBWKF-UHFFFAOYSA-N -1 3 376.884 3.775 20 10 GHCDHM COc1cccc(O[C@@H]2CCCN(Cc3ccc(OC)c(Cl)c3[O-])C2)n1 ZINC001236810276 1041910694 /nfs/dbraw/zinc/91/06/94/1041910694.db2.gz RBXUJAREJQQJJC-CQSZACIVSA-N -1 3 378.856 3.501 20 10 GHCDHM CCN(CC)c1ccnc([C@H]2COCCN2Cc2cc3ccccc3cc2[O-])n1 ZINC001236841600 1041924959 /nfs/dbraw/zinc/92/49/59/1041924959.db2.gz LXEGAUNXXRNIDD-HXUWFJFHSA-N -1 3 392.503 3.755 20 10 GHCDHM COc1cc([O-])c(CN2CCN(c3ccccc3F)CC2)c(Br)c1 ZINC001237061225 1042015311 /nfs/dbraw/zinc/01/53/11/1042015311.db2.gz ZOYLACYHJKVQAY-UHFFFAOYSA-N -1 3 395.272 3.625 20 10 GHCDHM COc1cc([O-])c(CN2CCc3c(cccc3OC)C2)c(Br)c1 ZINC001237064065 1042017519 /nfs/dbraw/zinc/01/75/19/1042017519.db2.gz BCKHVNWEXZYETE-UHFFFAOYSA-N -1 3 378.266 3.730 20 10 GHCDHM COc1cc([O-])c(CN2CCO[C@@H](c3ccccc3)C2)c(Br)c1 ZINC001237066899 1042018241 /nfs/dbraw/zinc/01/82/41/1042018241.db2.gz DJCHVMJVXGWODK-GOSISDBHSA-N -1 3 378.266 3.737 20 10 GHCDHM [O-]c1c(I)cccc1CN1CC[C@H](Oc2ccccc2)C1 ZINC001237776476 1042363769 /nfs/dbraw/zinc/36/37/69/1042363769.db2.gz AVCLLSSUIZIDEB-HNNXBMFYSA-N -1 3 395.240 3.650 20 10 GHCDHM C[C@H]1CCN(Cc2cccc(I)c2[O-])CCC1(F)F ZINC001237776233 1042364073 /nfs/dbraw/zinc/36/40/73/1042364073.db2.gz JHOFMCVHUCLZPU-JTQLQIEISA-N -1 3 381.204 3.864 20 10 GHCDHM Cc1ccc(O[C@@H]2C[C@@H]3CN(Cc4cc(F)cc(Cl)c4[O-])CCN3C2)cc1 ZINC001237812405 1042381548 /nfs/dbraw/zinc/38/15/48/1042381548.db2.gz FXEFQPKHEGFPQW-IEBWSBKVSA-N -1 3 390.886 3.831 20 10 GHCDHM CN1C(=O)C2(CCN(Cc3cc(F)cc(Cl)c3[O-])CC2)[C@H]1c1ccccc1 ZINC001237815086 1042382788 /nfs/dbraw/zinc/38/27/88/1042382788.db2.gz VTQSVWQORROITO-LJQANCHMSA-N -1 3 388.870 3.980 20 10 GHCDHM O=S(=O)(Cc1ccccc1Cl)Nc1ccc([O-])c(Br)c1 ZINC001260694628 1045612973 /nfs/dbraw/zinc/61/29/73/1045612973.db2.gz JGZPZAWMFXHEHY-UHFFFAOYSA-N -1 3 376.659 3.750 20 10 GHCDHM C[C@@H]1CCN(c2nnc(-c3sc4ncccc4c3[O-])n2C[C@H]2CCOC2)[C@@H]1C ZINC001263532200 1046926547 /nfs/dbraw/zinc/92/65/47/1046926547.db2.gz JVRXMMZVHXYTOE-MGPQQGTHSA-N -1 3 399.520 3.532 20 10 GHCDHM O=C1[C@@H](NCc2cc(F)cc(F)c2[O-])CCN1c1ccc(Cl)c(Cl)c1 ZINC001308639590 1050043395 /nfs/dbraw/zinc/04/33/95/1050043395.db2.gz CPAKORRZOOPLQX-HNNXBMFYSA-N -1 3 387.213 3.872 20 10 GHCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@@H](NCc2nnc(C3CC3)s2)C1 ZINC001333725845 1051821106 /nfs/dbraw/zinc/82/11/06/1051821106.db2.gz RHOGZMTZVHXHNN-OAHLLOKOSA-N -1 3 378.929 3.529 20 10 GHCDHM Cc1ccc(C(=O)Nc2cccc3c2CN(C(=O)OC(C)(C)C)C3)c([O-])c1O ZINC001300599378 1056602473 /nfs/dbraw/zinc/60/24/73/1056602473.db2.gz SASBGLBNZSCZNK-UHFFFAOYSA-N -1 3 384.432 3.909 20 10 GHCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC([C@@H]2CCCCO2)CC1 ZINC001341901041 1060943408 /nfs/dbraw/zinc/94/34/08/1060943408.db2.gz IJFFCOJOKXVEJO-HNNXBMFYSA-N -1 3 399.520 3.583 20 10 GHCDHM CCOC(=O)Cc1cccc(N(C)Cc2cc(Cl)cc(C(C)=O)c2[O-])c1 ZINC001460932982 1069282805 /nfs/dbraw/zinc/28/28/05/1069282805.db2.gz YFOVWQFIELZOEO-UHFFFAOYSA-N -1 3 375.852 3.990 20 10 GHCDHM [O-]c1c(Br)cccc1CNCc1cc(Br)cnc1F ZINC001474495237 1074432296 /nfs/dbraw/zinc/43/22/96/1074432296.db2.gz HCEHZEKMWAZBGM-UHFFFAOYSA-N -1 3 390.050 3.741 20 10 GHCDHM CN1CCN(c2ccc(NCc3ccc(F)c(F)c3[O-])c3cnccc32)CC1 ZINC001474754203 1074546143 /nfs/dbraw/zinc/54/61/43/1074546143.db2.gz QIEZOICZDRAVHQ-UHFFFAOYSA-N -1 3 384.430 3.583 20 10 GHCDHM Cc1cc(N(C)C)ccc1CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000737271571 599064199 /nfs/dbraw/zinc/06/41/99/599064199.db2.gz WPBDPFBGSVONIM-UHFFFAOYSA-N -1 3 395.417 3.680 20 10 GHCDHM Cc1cc(N(C)C)ccc1CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000737271571 599064202 /nfs/dbraw/zinc/06/42/02/599064202.db2.gz WPBDPFBGSVONIM-UHFFFAOYSA-N -1 3 395.417 3.680 20 10 GHCDHM C[C@@H](c1cccs1)N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)cc2)SC1=S ZINC000736204445 598359693 /nfs/dbraw/zinc/35/96/93/598359693.db2.gz RWBCUTZIRDKTOJ-RSYJBZMQSA-N -1 3 399.526 3.891 20 10 GHCDHM C[C@@H](c1cccs1)N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)cc2)SC1=S ZINC000736204445 598359694 /nfs/dbraw/zinc/35/96/94/598359694.db2.gz RWBCUTZIRDKTOJ-RSYJBZMQSA-N -1 3 399.526 3.891 20 10 GHCDHM CCN(CC)c1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1F ZINC000736531991 598556799 /nfs/dbraw/zinc/55/67/99/598556799.db2.gz OMVWIQAQMHMQHP-UHFFFAOYSA-N -1 3 375.839 3.513 20 10 GHCDHM CCN(CC)c1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1F ZINC000736531991 598556800 /nfs/dbraw/zinc/55/68/00/598556800.db2.gz OMVWIQAQMHMQHP-UHFFFAOYSA-N -1 3 375.839 3.513 20 10 GHCDHM Cc1cc(C(=O)Nc2ccc(F)c(F)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737238635 598609791 /nfs/dbraw/zinc/60/97/91/598609791.db2.gz QQIRRKPKVWHPRF-UHFFFAOYSA-N -1 3 394.385 3.805 20 10 GHCDHM CC[C@H]1C[C@@H](C)CN1C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000820966386 599655713 /nfs/dbraw/zinc/65/57/13/599655713.db2.gz DOXQLRJVLNJTRB-DYVFJYSZSA-N -1 3 378.480 3.535 20 10 GHCDHM Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000822231821 606263470 /nfs/dbraw/zinc/26/34/70/606263470.db2.gz IMVSFLFASAQSOZ-UHFFFAOYSA-N -1 3 376.395 3.666 20 10 GHCDHM Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000822231821 606263472 /nfs/dbraw/zinc/26/34/72/606263472.db2.gz IMVSFLFASAQSOZ-UHFFFAOYSA-N -1 3 376.395 3.666 20 10 GHCDHM Cc1cc(C(=O)Nc2ncc(Cl)s2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822184625 606284891 /nfs/dbraw/zinc/28/48/91/606284891.db2.gz YFPUCJSXWNHERM-UHFFFAOYSA-N -1 3 399.867 3.636 20 10 GHCDHM Cc1ccc(N2C(=O)C(=Cc3cc(-c4nnn[n-]4)cs3)SC2=S)cc1 ZINC000822240913 606304118 /nfs/dbraw/zinc/30/41/18/606304118.db2.gz DLGUQXNHBQIOEV-QPEQYQDCSA-N -1 3 385.499 3.642 20 10 GHCDHM Cc1ccc(N2C(=O)C(=Cc3cc(-c4nn[n-]n4)cs3)SC2=S)cc1 ZINC000822240913 606304120 /nfs/dbraw/zinc/30/41/20/606304120.db2.gz DLGUQXNHBQIOEV-QPEQYQDCSA-N -1 3 385.499 3.642 20 10 GHCDHM Cc1ccccc1N1C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)SC1=S ZINC000822362587 606334394 /nfs/dbraw/zinc/33/43/94/606334394.db2.gz ZXLFNQXBEMDADN-NTUHNPAUSA-N -1 3 385.499 3.642 20 10 GHCDHM Cc1ccccc1N1C(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)SC1=S ZINC000822362587 606334395 /nfs/dbraw/zinc/33/43/95/606334395.db2.gz ZXLFNQXBEMDADN-NTUHNPAUSA-N -1 3 385.499 3.642 20 10 GHCDHM Cc1cccc(C)c1N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)SC1=S ZINC000822293612 606394275 /nfs/dbraw/zinc/39/42/75/606394275.db2.gz DTTIBGWZQSSBKZ-MDWZMJQESA-N -1 3 399.526 3.951 20 10 GHCDHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1COc1ccc(N2CCCC2)cc1 ZINC000822731943 606597289 /nfs/dbraw/zinc/59/72/89/606597289.db2.gz FTDRQFSJGZQEBU-UHFFFAOYSA-N -1 3 387.390 3.647 20 10 GHCDHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1COc1ccc(N2CCCC2)cc1 ZINC000822731943 606597291 /nfs/dbraw/zinc/59/72/91/606597291.db2.gz FTDRQFSJGZQEBU-UHFFFAOYSA-N -1 3 387.390 3.647 20 10 GHCDHM COc1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc(OC)c1[O-] ZINC000161150353 846415565 /nfs/dbraw/zinc/41/55/65/846415565.db2.gz ZJTBUUNPGSNZPE-UHFFFAOYSA-N -1 3 384.476 3.672 20 10 GHCDHM CC1CCN(c2ccc(CNC(=O)c3nnc4ccccc4c3[O-])cc2)CC1 ZINC000732290255 862194072 /nfs/dbraw/zinc/19/40/72/862194072.db2.gz LDMKKDVPZOXPEJ-UHFFFAOYSA-N -1 3 376.460 3.502 20 10 GHCDHM C[C@H](NCc1ccc(S(C)(=O)=O)c(Cl)c1)c1cc(F)cc(F)c1[O-] ZINC000760028266 853554930 /nfs/dbraw/zinc/55/49/30/853554930.db2.gz HJUZOAGTPYDFMG-VIFPVBQESA-N -1 3 375.824 3.578 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)c1[O-] ZINC001168603457 854674331 /nfs/dbraw/zinc/67/43/31/854674331.db2.gz GEBMKOPQDCIBLV-STQMWFEESA-N -1 3 380.460 3.564 20 10 GHCDHM CCN(CC(=O)Nc1cc(F)cc(F)c1)Cc1cc(Br)ccc1[O-] ZINC000743872903 868471683 /nfs/dbraw/zinc/47/16/83/868471683.db2.gz FQQCFNCJHOXFPK-UHFFFAOYSA-N -1 3 399.235 3.894 20 10 GHCDHM Cc1ccc(O)c(C[N-]S(=O)(=O)c2oc3ccccc3c2Br)c1 ZINC001192732942 870621980 /nfs/dbraw/zinc/62/19/80/870621980.db2.gz PVTTYOXVNSFCRR-UHFFFAOYSA-N -1 3 396.262 3.688 20 10 GHCDHM CN(CC(=O)Nc1cccc(Cl)c1)Cc1cccc(Br)c1[O-] ZINC000768304250 873221832 /nfs/dbraw/zinc/22/18/32/873221832.db2.gz VXWMZIJIZSDELK-UHFFFAOYSA-N -1 3 383.673 3.879 20 10 GHCDHM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)c1 ZINC001197106760 873603310 /nfs/dbraw/zinc/60/33/10/873603310.db2.gz NPWKBMABYYYPJG-CMDGGOBGSA-N -1 3 389.473 3.811 20 10 GHCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CCOc2ccccc21 ZINC000769379520 874007424 /nfs/dbraw/zinc/00/74/24/874007424.db2.gz BEXGRDWIRNPALN-AWEZNQCLSA-N -1 3 375.852 3.587 20 10 GHCDHM COC(=O)CN(Cc1c[nH]nc1-c1ccc(C)cc1)Cc1cc(Cl)ccc1[O-] ZINC000769382050 874008668 /nfs/dbraw/zinc/00/86/68/874008668.db2.gz SYNCBMHBDUDFLU-UHFFFAOYSA-N -1 3 399.878 3.919 20 10 GHCDHM CCO[C@@H](C)c1nc(CN2CCN(Cc3c([O-])cccc3Cl)CC2)cs1 ZINC000769501889 874110456 /nfs/dbraw/zinc/11/04/56/874110456.db2.gz FJLSEZVNYHPNTK-AWEZNQCLSA-N -1 3 395.956 3.917 20 10 GHCDHM CCCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H](C)c1ccc(C)o1 ZINC000769737654 874276012 /nfs/dbraw/zinc/27/60/12/874276012.db2.gz FIQVUVBNDZABIT-AWEZNQCLSA-N -1 3 394.493 3.669 20 10 GHCDHM COc1ccc([C@H]2CN(Cc3c([O-])cccc3Br)CCO2)cc1 ZINC001183363972 912438433 /nfs/dbraw/zinc/43/84/33/912438433.db2.gz QJZZVPOHABHIPN-GOSISDBHSA-N -1 3 378.266 3.737 20 10 GHCDHM COc1ccc(C[C@H](NC(=O)c2cccc(O)c2[O-])c2ccccc2)cc1OC ZINC000790631170 879868860 /nfs/dbraw/zinc/86/88/60/879868860.db2.gz KAMMCLWVRKLNAF-SFHVURJKSA-N -1 3 393.439 3.829 20 10 GHCDHM O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1cccc(O)c1[O-] ZINC000790668822 879899924 /nfs/dbraw/zinc/89/99/24/879899924.db2.gz NGKGUYKGXXPEGN-UHFFFAOYSA-N -1 3 395.286 3.799 20 10 GHCDHM COc1ccc(CC[C@@H]2CCCCN2C(=O)c2cccc(O)c2[O-])cc1OC ZINC000790861076 880059174 /nfs/dbraw/zinc/05/91/74/880059174.db2.gz HMVCRZQVDHHKGL-INIZCTEOSA-N -1 3 385.460 3.743 20 10 GHCDHM C[C@H](NCc1c([O-])ccc(Cl)c1F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000790955605 880098172 /nfs/dbraw/zinc/09/81/72/880098172.db2.gz UUCDPCPOLDNGLW-ZDUSSCGKSA-N -1 3 391.874 3.902 20 10 GHCDHM COc1cc2c(c(OC)c1OC)CCN(Cc1c([O-])ccc(Cl)c1F)CC2 ZINC000792168764 880959519 /nfs/dbraw/zinc/95/95/19/880959519.db2.gz FRHDWNBDGFPEBH-UHFFFAOYSA-N -1 3 395.858 3.811 20 10 GHCDHM C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1c([O-])cccc1Br ZINC000862215031 886212920 /nfs/dbraw/zinc/21/29/20/886212920.db2.gz BLBXOXQNLCGRPH-LBPRGKRZSA-N -1 3 398.322 3.751 20 10 GHCDHM O=C(c1ccccc1)N1CCCN(Cc2c([O-])cccc2Br)CC1 ZINC000862222671 886219662 /nfs/dbraw/zinc/21/96/62/886219662.db2.gz IMIUOAJXJUSHLT-UHFFFAOYSA-N -1 3 389.293 3.503 20 10 GHCDHM CCS[C@H](C)c1noc(CN(C)Cc2c([O-])cccc2Br)n1 ZINC000862251972 886255974 /nfs/dbraw/zinc/25/59/74/886255974.db2.gz ALFKJFYPPLQPFZ-SNVBAGLBSA-N -1 3 386.315 3.984 20 10 GHCDHM C[C@@H]1c2nnc(C3CCCC3)n2CCN1Cc1c([O-])cccc1Br ZINC000862369041 886330819 /nfs/dbraw/zinc/33/08/19/886330819.db2.gz OZQVGBSWDNTOES-GFCCVEGCSA-N -1 3 391.313 3.981 20 10 GHCDHM C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1cccc(O)c1[O-] ZINC000863368925 887063412 /nfs/dbraw/zinc/06/34/12/887063412.db2.gz OJHRNUFMLFCTCY-YPMHNXCESA-N -1 3 376.250 3.879 20 10 GHCDHM Cc1noc(C)c1CO[C@H]1CCN(Cc2cc(C)cc(Br)c2[O-])C1 ZINC000809750305 887786045 /nfs/dbraw/zinc/78/60/45/887786045.db2.gz TVTCUJXXUADMNH-HNNXBMFYSA-N -1 3 395.297 3.859 20 10 GHCDHM CN(C)c1cc(F)c(CN[C@H](Cc2c(F)cccc2Cl)C(=O)[O-])cc1F ZINC000864510069 887815221 /nfs/dbraw/zinc/81/52/21/887815221.db2.gz RKQRWMLJSIMBEB-MRXNPFEDSA-N -1 3 386.801 3.609 20 10 GHCDHM CCO[C@H](C)c1nc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])cs1 ZINC000120771309 888612550 /nfs/dbraw/zinc/61/25/50/888612550.db2.gz WVKWWXMEXXWMRW-GFCCVEGCSA-N -1 3 398.912 3.775 20 10 GHCDHM C[C@@H](NCc1c(Br)cnn1C)c1cccc(C(F)(F)F)c1[O-] ZINC000866432194 888873520 /nfs/dbraw/zinc/87/35/20/888873520.db2.gz MXGCITGHNVLZCA-MRVPVSSYSA-N -1 3 378.192 3.758 20 10 GHCDHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cc1 ZINC000123893817 891098545 /nfs/dbraw/zinc/09/85/45/891098545.db2.gz ZYNXFXWXBNLPKC-UHFFFAOYSA-N -1 3 376.478 3.608 20 10 GHCDHM COc1ccc(C[C@H](NC(=O)c2cccc(O)c2[O-])c2ccc(OC)cc2)cc1 ZINC001135822589 895348630 /nfs/dbraw/zinc/34/86/30/895348630.db2.gz WAMSQMOQWVFLNR-FQEVSTJZSA-N -1 3 393.439 3.829 20 10 GHCDHM CCCNC(=O)N1CCc2c(Cl)c([O-])c(O)cc2[C@@H](c2ccc(O)cc2)C1 ZINC001202594255 898257440 /nfs/dbraw/zinc/25/74/40/898257440.db2.gz ILJUODRZPMXPNW-MRXNPFEDSA-N -1 3 390.867 3.566 20 10 GHCDHM Cc1nc(CNCc2cccc(Br)c2[O-])sc1Br ZINC000824592092 899708032 /nfs/dbraw/zinc/70/80/32/899708032.db2.gz YPBNPVALQMBKPC-UHFFFAOYSA-N -1 3 392.116 3.972 20 10 GHCDHM CCOC(=O)c1cnn(C2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)c1 ZINC000824608713 899718673 /nfs/dbraw/zinc/71/86/73/899718673.db2.gz NMUNGIVHYLQINJ-UHFFFAOYSA-N -1 3 398.290 3.909 20 10 GHCDHM [O-]c1cc(Br)ccc1CN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000824831024 899853536 /nfs/dbraw/zinc/85/35/36/899853536.db2.gz SCOHNWUIYFGUPE-UHFFFAOYSA-N -1 3 396.716 3.521 20 10 GHCDHM [O-]c1cc(Br)ccc1CN1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000824919911 899889866 /nfs/dbraw/zinc/88/98/66/899889866.db2.gz AQICZNNJPVVDGS-ZBFHGGJFSA-N -1 3 398.322 3.541 20 10 GHCDHM CC(C)(C)OC(=O)[C@@H]1CCCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144299964 901650836 /nfs/dbraw/zinc/65/08/36/901650836.db2.gz NSJMCAWHXILPGY-LLVKDONJSA-N -1 3 388.277 3.848 20 10 GHCDHM CCOC(=O)C[C@@H]1CCN(Cc2cc(Br)c(F)cc2[O-])C[C@@H]1C ZINC001144308719 901703556 /nfs/dbraw/zinc/70/35/56/901703556.db2.gz UTVTYOHXCMSECD-RYUDHWBXSA-N -1 3 388.277 3.705 20 10 GHCDHM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)ccc1O ZINC001186655051 914710243 /nfs/dbraw/zinc/71/02/43/914710243.db2.gz BNFIJESHNWNNBE-UHFFFAOYSA-N -1 3 397.452 3.975 20 10 GHCDHM COc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)c2cc(O)c([O-])c(O)c2)cc1 ZINC001148582282 904126291 /nfs/dbraw/zinc/12/62/91/904126291.db2.gz IINHNRABRSFXOR-UHFFFAOYSA-N -1 3 397.431 3.548 20 10 GHCDHM COC(=O)[C@@H](NCc1cc(F)cc(C(C)=O)c1[O-])c1cccc(C(F)(F)F)c1 ZINC001175906757 907821097 /nfs/dbraw/zinc/82/10/97/907821097.db2.gz KRJUNQCDVQPISH-INIZCTEOSA-N -1 3 399.340 3.757 20 10 GHCDHM CC[C@H](NCc1n[nH]cc1Br)c1cc(Br)ccc1[O-] ZINC000718141028 909624336 /nfs/dbraw/zinc/62/43/36/909624336.db2.gz JACUZMAAASQJRX-NSHDSACASA-N -1 3 389.091 3.881 20 10 GHCDHM COC(=O)[C@@H]1CC12CCN(Cc1cc(Cl)cc(Br)c1[O-])CC2 ZINC001204299646 910838672 /nfs/dbraw/zinc/83/86/72/910838672.db2.gz ZJDVYXDJAKBCGO-LBPRGKRZSA-N -1 3 388.689 3.583 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccccc1-n1ccnc1 ZINC001190106806 917099815 /nfs/dbraw/zinc/09/98/15/917099815.db2.gz KLZDMDGEJGRLIA-UHFFFAOYSA-N -1 3 378.819 3.710 20 10 GHCDHM C[C@H](NCc1ncc(C(F)(F)F)cn1)c1cc(Br)ccc1[O-] ZINC000296371607 918197540 /nfs/dbraw/zinc/19/75/40/918197540.db2.gz JEZPESLIGQSCOO-QMMMGPOBSA-N -1 3 376.176 3.814 20 10 GHCDHM CC(C)[C@@H](N[C@@H](C)c1cc(Br)cc(Cl)c1[O-])c1nncn1C ZINC000903065625 922741613 /nfs/dbraw/zinc/74/16/13/922741613.db2.gz RIOQPTRDKXHDTH-TVQRCGJNSA-N -1 3 387.709 3.985 20 10 GHCDHM C[C@@H](N[C@H](CCO)c1ccccc1Br)c1cc([N+](=O)[O-])ccc1[O-] ZINC000757636135 929753547 /nfs/dbraw/zinc/75/35/47/929753547.db2.gz CFWYHYAKULKJHL-BDJLRTHQSA-N -1 3 395.253 3.837 20 10 GHCDHM COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000780917680 930638449 /nfs/dbraw/zinc/63/84/49/930638449.db2.gz URPNVTKBCSENBC-UHFFFAOYSA-N -1 3 398.459 3.683 20 10 GHCDHM COC(=O)c1ccc(NCc2cc(C)cc(Br)c2[O-])c(OC)c1 ZINC000783698474 931621900 /nfs/dbraw/zinc/62/19/00/931621900.db2.gz ZCAYNSXZGQYRIP-UHFFFAOYSA-N -1 3 380.238 3.870 20 10 GHCDHM CCc1cccc(CN2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])c1O ZINC001597586218 988401978 /nfs/dbraw/zinc/40/19/78/988401978.db2.gz BCQAOHOSOOTBNC-KRWDZBQOSA-N -1 3 390.277 3.729 20 10 GHCDHM C[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])c1ccc(NC(=O)NC2CC2)cc1 ZINC001593195280 994146416 /nfs/dbraw/zinc/14/64/16/994146416.db2.gz CWEJJLKRBBZCHR-OLZOCXBDSA-N -1 3 383.448 3.786 20 10 GHCDHM COc1ccc2c(c1)[C@@H](NCc1c3cc(F)ccc3n(C)c1C(=O)[O-])CCO2 ZINC001599631443 994224125 /nfs/dbraw/zinc/22/41/25/994224125.db2.gz JDSNUUATESCVBC-KRWDZBQOSA-N -1 3 384.407 3.638 20 10 GHCDHM COc1cc(C)c(C[N@H+]2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001599391355 997042527 /nfs/dbraw/zinc/04/25/27/997042527.db2.gz SAGCCBZEXKCVDI-ZWKOTPCHSA-N -1 3 375.852 3.663 20 10 GHCDHM COc1cc(C)c(C[N@@H+]2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001599391355 997042536 /nfs/dbraw/zinc/04/25/36/997042536.db2.gz SAGCCBZEXKCVDI-ZWKOTPCHSA-N -1 3 375.852 3.663 20 10 GHCDHM COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)c1[O-] ZINC001599420559 997586968 /nfs/dbraw/zinc/58/69/68/997586968.db2.gz LHOWPKDQKOKBLN-SNVBAGLBSA-N -1 3 382.869 3.589 20 10 GHCDHM COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)c1[O-] ZINC001599420559 997586974 /nfs/dbraw/zinc/58/69/74/997586974.db2.gz LHOWPKDQKOKBLN-SNVBAGLBSA-N -1 3 382.869 3.589 20 10 GHCDHM Cc1cc([O-])c(CN2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC001204180939 1032632680 /nfs/dbraw/zinc/63/26/80/1032632680.db2.gz WZQREBZCJWILBH-LJQANCHMSA-N -1 3 395.330 3.859 20 10 GHCDHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)ccc1F ZINC000755985180 1023466283 /nfs/dbraw/zinc/46/62/83/1023466283.db2.gz MQMQHIPMXJWNMY-UHFFFAOYSA-N -1 3 381.425 3.551 20 10 GHCDHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)ccc1C ZINC000755984988 1023466667 /nfs/dbraw/zinc/46/66/67/1023466667.db2.gz LRADWKXYGIRLER-UHFFFAOYSA-N -1 3 377.462 3.720 20 10 GHCDHM [O-]c1c(F)cccc1CN1Cc2c(cnn2CC2CC2)[C@H](COCC2CC2)C1 ZINC001138126875 1024171300 /nfs/dbraw/zinc/17/13/00/1024171300.db2.gz KVEMBKQEFINMHP-SFHVURJKSA-N -1 3 385.483 3.664 20 10 GHCDHM CCOc1ccccc1N1CCN(Cc2c([O-])ccc3c(C)cc(=O)oc32)CC1 ZINC001139127667 1025940318 /nfs/dbraw/zinc/94/03/18/1025940318.db2.gz ZUOXRWWYVKNEHP-UHFFFAOYSA-N -1 3 394.471 3.528 20 10 GHCDHM CCN(CCN(C)C(=O)OC(C)(C)C)Cc1c([O-])cccc1Br ZINC001140104023 1026885688 /nfs/dbraw/zinc/88/56/88/1026885688.db2.gz ZRNVAZAKMSEXJO-UHFFFAOYSA-N -1 3 387.318 3.844 20 10 GHCDHM C[C@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])CC[C@H]1O ZINC001203562280 1027434339 /nfs/dbraw/zinc/43/43/39/1027434339.db2.gz GRDBULBIDKIJAE-TVQRCGJNSA-N -1 3 393.119 3.510 20 10 GHCDHM CC(C)OCc1ncn2c1CN(Cc1cc(Br)ccc1[O-])CCC2 ZINC001203642062 1027500122 /nfs/dbraw/zinc/50/01/22/1027500122.db2.gz CPPHJVSBIPNQGT-UHFFFAOYSA-N -1 3 394.313 3.682 20 10 GHCDHM [O-]c1ccc(Br)cc1CN1CCc2ncc(Br)cc2C1 ZINC001203643087 1027501772 /nfs/dbraw/zinc/50/17/72/1027501772.db2.gz RVKJICDHRAGCGX-UHFFFAOYSA-N -1 3 398.098 3.871 20 10 GHCDHM CCOCc1cc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)ccc1OC ZINC000841800055 1028945637 /nfs/dbraw/zinc/94/56/37/1028945637.db2.gz GGVBDVFBSIDPIO-GOSISDBHSA-N -1 3 381.831 3.940 20 10 GHCDHM O=C(c1ccco1)N1CCCC12CCN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142512949 1029016932 /nfs/dbraw/zinc/01/69/32/1029016932.db2.gz QVTBRZYHQQBUSV-UHFFFAOYSA-N -1 3 376.403 3.534 20 10 GHCDHM COc1c(Br)cc(F)cc1-c1noc(-c2cccc(O)c2[O-])n1 ZINC001215145931 1029059314 /nfs/dbraw/zinc/05/93/14/1029059314.db2.gz RRPGWDDFAJUYDK-UHFFFAOYSA-N -1 3 381.157 3.725 20 10 GHCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cc(Cl)cc(Br)c2)no1 ZINC001215325123 1029153744 /nfs/dbraw/zinc/15/37/44/1029153744.db2.gz BYHVQAQHVGBSFZ-UHFFFAOYSA-N -1 3 383.585 3.936 20 10 GHCDHM Cc1cc(F)c(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)cc1Br ZINC001215327675 1029154465 /nfs/dbraw/zinc/15/44/65/1029154465.db2.gz NRMWJPFBLOTHPH-UHFFFAOYSA-N -1 3 381.157 3.730 20 10 GHCDHM CCOc1ccc(Br)cc1-c1noc(-c2cc(O)c([O-])c(O)c2)n1 ZINC001215327589 1029155327 /nfs/dbraw/zinc/15/53/27/1029155327.db2.gz JVTZGNNLMCPFRX-UHFFFAOYSA-N -1 3 393.193 3.682 20 10 GHCDHM Cc1cc(Nc2c(CC(N)=O)cccc2C(=O)c2ccccc2)cc([O-])c1F ZINC001216082592 1029518592 /nfs/dbraw/zinc/51/85/92/1029518592.db2.gz UTKIHCBNSGLWAO-UHFFFAOYSA-N -1 3 378.403 3.842 20 10 GHCDHM [O-]c1c(O)cc(-c2nc(-c3ncccc3/C=C/N3CCCC3)no2)cc1Cl ZINC001216976844 1030046451 /nfs/dbraw/zinc/04/64/51/1030046451.db2.gz LIJPSVPUMFWAJX-WEVVVXLNSA-N -1 3 384.823 3.930 20 10 GHCDHM O=C1c2cccc([O-])c2C(=O)c2c(OC[C@@H]3CC[C@]4(CCCCO4)O3)cccc21 ZINC001226380483 1031939309 /nfs/dbraw/zinc/93/93/09/1031939309.db2.gz WINBTVBVEKAHEW-PSLXWICFSA-N -1 3 394.423 3.622 20 10 GHCDHM CN(Cc1c([O-])cccc1Br)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC001207416191 1034353023 /nfs/dbraw/zinc/35/30/23/1034353023.db2.gz UGSMHYGZGNYENB-CQSZACIVSA-N -1 3 391.265 3.612 20 10 GHCDHM O=C(NC1CCCC1)[C@H]1CC12CCN(Cc1cc(F)cc(Cl)c1[O-])CC2 ZINC001277506923 1034523773 /nfs/dbraw/zinc/52/37/73/1034523773.db2.gz MVOTUGAQDMMNDJ-MRXNPFEDSA-N -1 3 380.891 3.846 20 10 GHCDHM Cc1cc([O-])c(CN2Cc3nccn3C[C@@H](COCC3CC3)C2)cc1Cl ZINC001231868196 1034954845 /nfs/dbraw/zinc/95/48/45/1034954845.db2.gz SAMCAUUQFLDVML-INIZCTEOSA-N -1 3 375.900 3.609 20 10 GHCDHM CCN(Cc1n[nH]cc1Br)Cc1cc(Br)ccc1[O-] ZINC001461928244 1069894828 /nfs/dbraw/zinc/89/48/28/1069894828.db2.gz QSQIXGGDMUUCQT-UHFFFAOYSA-N -1 3 389.091 3.662 20 10 GHCDHM [O-]c1c(Cl)cccc1CN1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001231913502 1034988127 /nfs/dbraw/zinc/98/81/27/1034988127.db2.gz KULOETKEYPBSIH-GFCCVEGCSA-N -1 3 387.789 3.898 20 10 GHCDHM CCOC(=O)c1ncn2c1CN(Cc1cc(Cl)c(C(C)(C)C)cc1[O-])CC2 ZINC001248881489 1036220906 /nfs/dbraw/zinc/22/09/06/1036220906.db2.gz XHJXSGOMWOWLOS-UHFFFAOYSA-N -1 3 391.899 3.732 20 10 GHCDHM CC(C)OCc1nnc2n1CCN(Cc1cc(Cl)c(C(C)(C)C)cc1[O-])C2 ZINC001248882877 1036222180 /nfs/dbraw/zinc/22/21/80/1036222180.db2.gz OMLRMGYIMNQLHL-UHFFFAOYSA-N -1 3 392.931 3.875 20 10 GHCDHM CN(Cc1nc(-c2cccs2)no1)Cc1ccc(Br)cc1[O-] ZINC001462237687 1070108572 /nfs/dbraw/zinc/10/85/72/1070108572.db2.gz ZBPMDHIAXNIBFF-UHFFFAOYSA-N -1 3 380.267 3.898 20 10 GHCDHM COc1cc([O-])c(CN2CCC(=O)[C@@H](C)C23CCCC3)cc1Br ZINC001233141208 1038920635 /nfs/dbraw/zinc/92/06/35/1038920635.db2.gz FERLEMXNOPSIOL-GFCCVEGCSA-N -1 3 382.298 3.887 20 10 GHCDHM COC(=O)c1ccc(OC2CCN(Cc3c([O-])ccc(F)c3F)CC2)cc1 ZINC001233334807 1039133265 /nfs/dbraw/zinc/13/32/65/1039133265.db2.gz UQFFCBJMODPLLU-UHFFFAOYSA-N -1 3 377.387 3.500 20 10 GHCDHM CN1C(=O)C[C@H](c2ccccc2)C12CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233334230 1039135247 /nfs/dbraw/zinc/13/52/47/1039135247.db2.gz YJRLDABJYGKJCM-QGZVFWFLSA-N -1 3 386.442 3.651 20 10 GHCDHM [O-]c1ccc(F)c(F)c1CN1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001233333432 1039135963 /nfs/dbraw/zinc/13/59/63/1039135963.db2.gz VQCCCADEJSNLTD-YMRXKLBXSA-N -1 3 378.444 3.966 20 10 GHCDHM O=C1OC2(CCN(Cc3c([O-])ccc(F)c3F)CC2)c2ccc(Cl)cc21 ZINC001233335880 1039139133 /nfs/dbraw/zinc/13/91/33/1039139133.db2.gz POUCEBYEFULUBW-UHFFFAOYSA-N -1 3 379.790 3.986 20 10 GHCDHM CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3cccc(C(F)(F)F)c3[O-])C[C@H]21 ZINC001233416669 1039272454 /nfs/dbraw/zinc/27/24/54/1039272454.db2.gz QZFJIBJPMPFALE-SWLSCSKDSA-N -1 3 386.414 3.852 20 10 GHCDHM CC(C)(C)OC(=O)N1CCCC12CN(Cc1ccc(C(F)(F)F)cc1[O-])C2 ZINC001233452444 1039337907 /nfs/dbraw/zinc/33/79/07/1039337907.db2.gz WTOSTWOZIDADIE-UHFFFAOYSA-N -1 3 386.414 3.996 20 10 GHCDHM Cc1ccccc1C(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233454684 1039344337 /nfs/dbraw/zinc/34/43/37/1039344337.db2.gz FUOLHRWVEDPZTI-UHFFFAOYSA-N -1 3 378.394 3.677 20 10 GHCDHM C[C@H](COc1ccccc1)Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234746553 1040273089 /nfs/dbraw/zinc/27/30/89/1040273089.db2.gz AJELWRFLDUEVMK-GFCCVEGCSA-N -1 3 394.379 3.909 20 10 GHCDHM O=C1c2ccccc2[C@@H]2CN(Cc3cc(Br)cc(F)c3[O-])C[C@H]12 ZINC001235058492 1040547781 /nfs/dbraw/zinc/54/77/81/1040547781.db2.gz NBEQUKYZWDQRDL-GJZGRUSLSA-N -1 3 376.225 3.706 20 10 GHCDHM [O-]c1c(F)cc(Br)cc1CN1CCN2CCc3ccccc3[C@@H]2C1 ZINC001235064388 1040551390 /nfs/dbraw/zinc/55/13/90/1040551390.db2.gz CJYVRQQOSJFARS-SFHVURJKSA-N -1 3 391.284 3.709 20 10 GHCDHM [O-]c1c(Br)cc(F)cc1CN1CCN2CCc3ccccc3[C@H]2C1 ZINC001235305591 1040777940 /nfs/dbraw/zinc/77/79/40/1040777940.db2.gz ORHMZIOKXWTFIY-GOSISDBHSA-N -1 3 391.284 3.709 20 10 GHCDHM Cc1cnc(O[C@@H]2CCCN(Cc3cc(C)cc(Br)c3[O-])C2)nc1 ZINC001236669430 1041817446 /nfs/dbraw/zinc/81/74/46/1041817446.db2.gz JEJXKGRDGUZAKW-OAHLLOKOSA-N -1 3 392.297 3.605 20 10 GHCDHM COc1cc([O-])c(CN2CCC[C@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c(Cl)c1 ZINC001236794898 1041899648 /nfs/dbraw/zinc/89/96/48/1041899648.db2.gz FNOPEGYRVGOPAB-HOTGVXAUSA-N -1 3 382.888 3.638 20 10 GHCDHM CCOC(=O)c1cc2c(s1)CCN(Cc1c([O-])cc(OC)cc1Cl)C2 ZINC001236804754 1041906496 /nfs/dbraw/zinc/90/64/96/1041906496.db2.gz XUIVSTAFKVRKSK-UHFFFAOYSA-N -1 3 381.881 3.851 20 10 GHCDHM COc1cc([O-])c(CN2CCN(c3ccc4ccccc4n3)CC2)c(Cl)c1 ZINC001236809162 1041909500 /nfs/dbraw/zinc/90/95/00/1041909500.db2.gz SXJKQUYJGBLRKO-UHFFFAOYSA-N -1 3 383.879 3.925 20 10 GHCDHM COc1cc([O-])c(CN(C)Cc2ccc(OC)c(OC)c2)c(Br)c1 ZINC001237060043 1042015604 /nfs/dbraw/zinc/01/56/04/1042015604.db2.gz QKBPCTWBAAOKBR-UHFFFAOYSA-N -1 3 396.281 3.813 20 10 GHCDHM COc1cc([O-])c(CN2CCCc3cc(O)c(O)cc3C2)c(Br)c1 ZINC001237071824 1042021236 /nfs/dbraw/zinc/02/12/36/1042021236.db2.gz XRBUVNPYFLCKEY-UHFFFAOYSA-N -1 3 394.265 3.523 20 10 GHCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCc2ncnc(N3CCCC3)c2CC1 ZINC001237077145 1042023975 /nfs/dbraw/zinc/02/39/75/1042023975.db2.gz CXSSVMQXUJKGFB-UHFFFAOYSA-N -1 3 393.318 3.690 20 10 GHCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001237077875 1042024264 /nfs/dbraw/zinc/02/42/64/1042024264.db2.gz LLKMMFCSONUFRA-AAEUAGOBSA-N -1 3 376.177 3.926 20 10 GHCDHM O=C(NC1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1)N1CCCCC1 ZINC001237085892 1042028323 /nfs/dbraw/zinc/02/83/23/1042028323.db2.gz KMTYWLZKCIHXSR-UHFFFAOYSA-N -1 3 386.323 3.859 20 10 GHCDHM [O-]c1c(Cl)cc(F)cc1CN1CCN2C[C@H](Oc3ccccc3)C[C@H]2C1 ZINC001237801503 1042377549 /nfs/dbraw/zinc/37/75/49/1042377549.db2.gz UQTSCTRSHOZWSN-FUHWJXTLSA-N -1 3 376.859 3.522 20 10 GHCDHM CS(=O)(=O)[N-]c1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)cc1F ZINC001256992166 1043790362 /nfs/dbraw/zinc/79/03/62/1043790362.db2.gz OZBBEXYAHZNNRD-UHFFFAOYSA-N -1 3 398.419 3.705 20 10 GHCDHM COc1cc([N-]S(=O)(=O)c2c(C)c3c(c(C)c2C)OC(C)(C)C3)ccc1O ZINC001260247115 1045427246 /nfs/dbraw/zinc/42/72/46/1045427246.db2.gz QCXFKUJEWPXAEZ-UHFFFAOYSA-N -1 3 391.489 3.840 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2ccc(CS(C)(=O)=O)cc2)c1 ZINC001308272643 1049933434 /nfs/dbraw/zinc/93/34/34/1049933434.db2.gz OAXYUUDAAZYDCU-UHFFFAOYSA-N -1 3 384.295 3.620 20 10 GHCDHM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001333345561 1051723064 /nfs/dbraw/zinc/72/30/64/1051723064.db2.gz FXXFOKBFBKDOGN-SANMLTNESA-N -1 3 378.469 3.900 20 10 GHCDHM COc1ccc(C(NC(=O)c2cccc(O)c2[O-])c2ccc(OC)cc2)cc1 ZINC001344111046 1054256191 /nfs/dbraw/zinc/25/61/91/1054256191.db2.gz WMYFQFQQNCNBFM-UHFFFAOYSA-N -1 3 379.412 3.634 20 10 GHCDHM CN(Cc1nccs1)c1nnc(-c2sc3ncccc3c2[O-])n1CC1CC1 ZINC001345903478 1055320868 /nfs/dbraw/zinc/32/08/68/1055320868.db2.gz HEHGQIKWECEOPK-UHFFFAOYSA-N -1 3 398.517 3.763 20 10 GHCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@H]1c1ccc(O)cc1 ZINC001339381240 1059157975 /nfs/dbraw/zinc/15/79/75/1059157975.db2.gz MBJBITGFQOBEHM-HNNXBMFYSA-N -1 3 393.472 3.845 20 10 GHCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC001340210302 1059766636 /nfs/dbraw/zinc/76/66/36/1059766636.db2.gz RHGHUAZUYJOLND-ZFWWWQNUSA-N -1 3 399.520 3.583 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1Cc2ccc(OC)cc2C1 ZINC001341842535 1060919058 /nfs/dbraw/zinc/91/90/58/1060919058.db2.gz NBWPQWZKNITROS-UHFFFAOYSA-N -1 3 393.472 3.809 20 10 GHCDHM CC(C)(C)OC(=O)N[C@H](CC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC001456029385 1062418713 /nfs/dbraw/zinc/41/87/13/1062418713.db2.gz MXUYRJXTBCTOTN-QGZVFWFLSA-N -1 3 388.439 3.804 20 10 GHCDHM Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCc3c([O-])cccc3F)c12 ZINC001456100311 1062479698 /nfs/dbraw/zinc/47/96/98/1062479698.db2.gz RTAWSZAIYARPBU-UHFFFAOYSA-N -1 3 390.418 3.718 20 10 GHCDHM O=C(NCc1cccnc1Oc1cccc(F)c1)NCc1c([O-])cccc1F ZINC001467593416 1067376638 /nfs/dbraw/zinc/37/66/38/1067376638.db2.gz VHBAYEUIHLLAIG-UHFFFAOYSA-N -1 3 385.370 3.857 20 10 GHCDHM CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccc2ccccc21 ZINC001471917679 1073258510 /nfs/dbraw/zinc/25/85/10/1073258510.db2.gz XGMOQBVKBXHICS-IBGZPJMESA-N -1 3 398.484 3.798 20 10 GHCDHM Cc1sc2ncnc(SCCC(=O)NCc3c([O-])cccc3F)c2c1C ZINC001471975382 1073288380 /nfs/dbraw/zinc/28/83/80/1073288380.db2.gz XVOLMJRGDSRSDD-UHFFFAOYSA-N -1 3 391.493 3.951 20 10 GHCDHM [O-]c1c(Br)cc(Cl)cc1CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC001474427854 1074401906 /nfs/dbraw/zinc/40/19/06/1074401906.db2.gz MYEJRKRWGWTYLS-AWEZNQCLSA-N -1 3 393.672 3.805 20 10 GHCDHM CCOc1cc(N2CCN(Cc3ccc(Cl)cc3[O-])CC2)ccc1[N+](=O)[O-] ZINC001474491650 1074430420 /nfs/dbraw/zinc/43/04/20/1074430420.db2.gz SIWXHFFXLLYRPW-UHFFFAOYSA-N -1 3 391.855 3.675 20 10 GHCDHM O=S(=O)(NCc1c([O-])cccc1F)c1cc(C(F)(F)F)ccc1Cl ZINC001475706686 1075004010 /nfs/dbraw/zinc/00/40/10/1075004010.db2.gz GOTCCVONKHBMBS-UHFFFAOYSA-N -1 3 383.750 3.682 20 10 GHCDHM Cc1cc(C(=O)O[C@H](C)c2cccnc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737238061 598845429 /nfs/dbraw/zinc/84/54/29/598845429.db2.gz HYPFXVJIOJLYKG-OAHLLOKOSA-N -1 3 388.431 3.587 20 10 GHCDHM Cc1cc(C(=O)N2CCC[C@H](C)[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233021 599102371 /nfs/dbraw/zinc/10/23/71/599102371.db2.gz CQYBWKIERVWDKW-DZGCQCFKSA-N -1 3 378.480 3.535 20 10 GHCDHM Cc1cc(C(=O)Nc2ccc(C)cc2F)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737358897 598610929 /nfs/dbraw/zinc/61/09/29/598610929.db2.gz BAQGVRACOOJGAS-UHFFFAOYSA-N -1 3 390.422 3.974 20 10 GHCDHM Oc1ccccc1CN(Cc1ccco1)Cc1ccc(-c2nn[n-]n2)cc1F ZINC000738401993 598618993 /nfs/dbraw/zinc/61/89/93/598618993.db2.gz ZVPILZUBJCESGF-UHFFFAOYSA-N -1 3 379.395 3.507 20 10 GHCDHM CCC[C@@H]1SCCN1C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736435676 599383986 /nfs/dbraw/zinc/38/39/86/599383986.db2.gz NBYYNKMSUFKDQK-SFHVURJKSA-N -1 3 396.520 3.589 20 10 GHCDHM Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)cc2F)SC1=S ZINC000822361662 607462011 /nfs/dbraw/zinc/46/20/11/607462011.db2.gz FBXSGQOZXYACMC-OQLLNIDSSA-N -1 3 397.460 3.720 20 10 GHCDHM Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)cc2F)SC1=S ZINC000822361662 607462012 /nfs/dbraw/zinc/46/20/12/607462012.db2.gz FBXSGQOZXYACMC-OQLLNIDSSA-N -1 3 397.460 3.720 20 10 GHCDHM O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1c([O-])ccc2cc(Br)ccc21 ZINC000739657103 600705009 /nfs/dbraw/zinc/70/50/09/600705009.db2.gz BHZWZJYHVOMTIC-CYBMUJFWSA-N -1 3 396.306 3.700 20 10 GHCDHM O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1c([O-])ccc2cc(Br)ccc21 ZINC000739657103 600705011 /nfs/dbraw/zinc/70/50/11/600705011.db2.gz BHZWZJYHVOMTIC-CYBMUJFWSA-N -1 3 396.306 3.700 20 10 GHCDHM CCc1cccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)s3)SC2=S)c1 ZINC000821492358 606393758 /nfs/dbraw/zinc/39/37/58/606393758.db2.gz NDNZABLUDFVQAA-ZROIWOOFSA-N -1 3 399.526 3.896 20 10 GHCDHM Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)s3)SC2=S)c1C ZINC000822308727 606394132 /nfs/dbraw/zinc/39/41/32/606394132.db2.gz JCZUABMWLZIAKO-RIYZIHGNSA-N -1 3 399.526 3.951 20 10 GHCDHM COc1cc(-c2nnn[n-]2)ccc1CSc1ncc(-c2ccccc2)n1C ZINC000826173753 608263202 /nfs/dbraw/zinc/26/32/02/608263202.db2.gz SQYMOTZDUYSERW-UHFFFAOYSA-N -1 3 378.461 3.568 20 10 GHCDHM COc1cc(-c2nn[n-]n2)ccc1CSc1ncc(-c2ccccc2)n1C ZINC000826173753 608263204 /nfs/dbraw/zinc/26/32/04/608263204.db2.gz SQYMOTZDUYSERW-UHFFFAOYSA-N -1 3 378.461 3.568 20 10 GHCDHM COc1c([O-])c(CNc2cccc(COCCOC(C)C)c2)ccc1[N+](=O)[O-] ZINC000278909473 843703936 /nfs/dbraw/zinc/70/39/36/843703936.db2.gz SGZXWUOWNAMEMY-UHFFFAOYSA-N -1 3 390.436 3.863 20 10 GHCDHM Cc1ccc(C(=O)CCC(=O)CCC(=O)NCc2c([O-])cccc2F)s1 ZINC000928711542 867251323 /nfs/dbraw/zinc/25/13/23/867251323.db2.gz INUBZOKPISUTTA-UHFFFAOYSA-N -1 3 377.437 3.530 20 10 GHCDHM COCCn1c(C)c(C)c2cc(C(=O)Nc3n[n-]c(-c4ccc(C)o4)n3)ccc21 ZINC000479475114 867835107 /nfs/dbraw/zinc/83/51/07/867835107.db2.gz LBMPQDMWBKFYNY-UHFFFAOYSA-N -1 3 393.447 3.843 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ncc(Br)s1 ZINC001195071071 872152926 /nfs/dbraw/zinc/15/29/26/872152926.db2.gz VQPJOPAJYREUKT-UHFFFAOYSA-N -1 3 398.669 3.743 20 10 GHCDHM O=C(c1ccccc1OC(F)F)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000768240036 873165583 /nfs/dbraw/zinc/16/55/83/873165583.db2.gz ZHPHYNPPBUHFQH-UHFFFAOYSA-N -1 3 396.821 3.605 20 10 GHCDHM C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)NCc2c([O-])cccc2F)cc1 ZINC001198545837 874495226 /nfs/dbraw/zinc/49/52/26/874495226.db2.gz WLOZOEVQRBGRBY-CQSZACIVSA-N -1 3 385.439 3.868 20 10 GHCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc([O-])c(Cl)c1 ZINC000771058889 875015815 /nfs/dbraw/zinc/01/58/15/875015815.db2.gz ONLPPVVAXMVGPQ-HNNXBMFYSA-N -1 3 395.286 3.799 20 10 GHCDHM Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000771639393 875375363 /nfs/dbraw/zinc/37/53/63/875375363.db2.gz XYKYSCQBZHADMJ-GOSISDBHSA-N -1 3 395.503 3.941 20 10 GHCDHM COc1c([O-])c([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)ccc1[N+](=O)[O-] ZINC000772177078 875734491 /nfs/dbraw/zinc/73/44/91/875734491.db2.gz KLGAVWVVWCTIKO-IBGZPJMESA-N -1 3 395.371 3.669 20 10 GHCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1nc(Cl)ccc1F ZINC000760178958 883067745 /nfs/dbraw/zinc/06/77/45/883067745.db2.gz YRSYRMJCOMMMBH-ZDUSSCGKSA-N -1 3 398.265 3.628 20 10 GHCDHM O=C(CCCc1ccc([O-])c(F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000787139657 877188319 /nfs/dbraw/zinc/18/83/19/877188319.db2.gz JDKNMTVQBNLFPV-GOSISDBHSA-N -1 3 387.451 3.767 20 10 GHCDHM COc1ccc(C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)c([O-])c1 ZINC000914499566 883786178 /nfs/dbraw/zinc/78/61/78/883786178.db2.gz UKTGPRJVECCJLY-UHFFFAOYSA-N -1 3 380.444 3.902 20 10 GHCDHM O=C(CC1CCCC1)N1CCCN(Cc2c([O-])cccc2Br)CC1 ZINC000862217537 886215894 /nfs/dbraw/zinc/21/58/94/886215894.db2.gz ILFURADVXVFAJP-UHFFFAOYSA-N -1 3 395.341 3.769 20 10 GHCDHM CS(=O)(=O)c1ccc([C@@H]2CN(Cc3ccc4ccccc4c3[O-])CCO2)cc1 ZINC000862437912 886381107 /nfs/dbraw/zinc/38/11/07/886381107.db2.gz JNFDXPRFWGMMQO-NRFANRHFSA-N -1 3 397.496 3.522 20 10 GHCDHM Cc1cc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)c(C)n1-c1cccc(C)c1 ZINC000916488796 889053852 /nfs/dbraw/zinc/05/38/52/889053852.db2.gz ZHVJVXPDZHDRNN-UHFFFAOYSA-N -1 3 396.468 3.577 20 10 GHCDHM C[C@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000812740611 890921051 /nfs/dbraw/zinc/92/10/51/890921051.db2.gz GULVRNGKNAPMJV-LBPRGKRZSA-N -1 3 394.302 3.804 20 10 GHCDHM Cc1nocc1CNCc1cc(Br)cc(Br)c1[O-] ZINC000877563063 893690949 /nfs/dbraw/zinc/69/09/49/893690949.db2.gz FWIFWXAZSQKEEY-UHFFFAOYSA-N -1 3 376.048 3.503 20 10 GHCDHM COc1ccc2c(c1)C(=O)N(C1CC1)[C@H](c1c([O-])cccc1Br)N2 ZINC000877851252 893853424 /nfs/dbraw/zinc/85/34/24/893853424.db2.gz ASAUUHQEEKENPH-QGZVFWFLSA-N -1 3 389.249 3.892 20 10 GHCDHM C[C@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1cccc(C(F)(F)F)c1[O-] ZINC000815601626 894063914 /nfs/dbraw/zinc/06/39/14/894063914.db2.gz AFHVXKVCZPUWQU-LBPRGKRZSA-N -1 3 379.382 3.520 20 10 GHCDHM [O-]c1c(Br)cc(Br)cc1CN1CCC[C@@H](CO)CC1 ZINC000816665597 895009870 /nfs/dbraw/zinc/00/98/70/895009870.db2.gz NJFDUWXCKJXMQN-SNVBAGLBSA-N -1 3 393.119 3.512 20 10 GHCDHM CC(C)(C)OC(=O)NCC[C@@H](NCc1c([O-])cccc1Cl)C(F)(F)F ZINC000825269605 900065304 /nfs/dbraw/zinc/06/53/04/900065304.db2.gz RPZADHBOXTWKAW-CYBMUJFWSA-N -1 3 382.810 3.981 20 10 GHCDHM CC[C@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000844213305 900608616 /nfs/dbraw/zinc/60/86/16/900608616.db2.gz WPKWZEGUTGQRHR-JARZOMNASA-N -1 3 395.459 3.793 20 10 GHCDHM C[C@@H](NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1c([O-])cccc1F ZINC000886607337 901187493 /nfs/dbraw/zinc/18/74/93/901187493.db2.gz PSNMZJMXJIIVIK-SNVBAGLBSA-N -1 3 391.386 3.804 20 10 GHCDHM C[C@H](c1ccc([S@](C)=O)cc1)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093889124 901576053 /nfs/dbraw/zinc/57/60/53/901576053.db2.gz QIMVQQZCZGWPFA-SSINHNECSA-N -1 3 382.869 3.884 20 10 GHCDHM [O-]c1cc(F)c(Br)cc1CN1CCC[C@](O)(C(F)(F)F)CC1 ZINC001144298536 901646586 /nfs/dbraw/zinc/64/65/86/901646586.db2.gz FURCKQUHWJVEHR-CYBMUJFWSA-N -1 3 386.183 3.573 20 10 GHCDHM [O-]c1cc(F)c(Br)cc1CN1CCC[C@H](Oc2cccnc2)C1 ZINC001144299537 901648621 /nfs/dbraw/zinc/64/86/21/901648621.db2.gz ABAUXXXTYPUHIP-AWEZNQCLSA-N -1 3 381.245 3.732 20 10 GHCDHM CN1CCN(Cc2cc(Br)c(F)cc2[O-])[C@H](c2ccccc2)C1 ZINC001144299529 901648915 /nfs/dbraw/zinc/64/89/15/901648915.db2.gz ZXMZKSXCLFVBQW-KRWDZBQOSA-N -1 3 379.273 3.783 20 10 GHCDHM Cc1cccnc1N1CCCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144300058 901652306 /nfs/dbraw/zinc/65/23/06/901652306.db2.gz QOVCADBVMUQEHH-UHFFFAOYSA-N -1 3 394.288 3.710 20 10 GHCDHM CC(C)CCO[C@H](CNC(=O)c1cc(O)c([O-])c(O)c1)c1ccc(Cl)cc1 ZINC001148590531 904130572 /nfs/dbraw/zinc/13/05/72/904130572.db2.gz MAXCWCCMNGMENE-GOSISDBHSA-N -1 3 393.867 3.991 20 10 GHCDHM COc1c([O-])c(CN2CCN(CC(F)(F)F)c3ccccc32)ccc1[N+](=O)[O-] ZINC000775056816 914842787 /nfs/dbraw/zinc/84/27/87/914842787.db2.gz MXIPFKZLNMWBCT-UHFFFAOYSA-N -1 3 397.353 3.698 20 10 GHCDHM O=C(Nc1ccc(Br)c(Br)c1)c1cccc(O)c1[O-] ZINC001174860873 907261305 /nfs/dbraw/zinc/26/13/05/907261305.db2.gz FBPUUVKUDLEOAC-UHFFFAOYSA-N -1 3 387.027 3.875 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1CCCN(c2ccccn2)C1 ZINC001176969753 908337289 /nfs/dbraw/zinc/33/72/89/908337289.db2.gz FNZRPRHYHPMAPV-CQSZACIVSA-N -1 3 396.878 3.522 20 10 GHCDHM O=C(c1cccc(Cl)c1)N1CCCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001180034955 909905879 /nfs/dbraw/zinc/90/58/79/909905879.db2.gz NWRQOWQEYGMJBU-UHFFFAOYSA-N -1 3 380.822 3.672 20 10 GHCDHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)ccc1C ZINC000795352820 910037852 /nfs/dbraw/zinc/03/78/52/910037852.db2.gz RUZVMIJZPMHFJE-UHFFFAOYSA-N -1 3 377.462 3.603 20 10 GHCDHM CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000284412692 911854916 /nfs/dbraw/zinc/85/49/16/911854916.db2.gz QPRXXMIFUBNKJB-OLZOCXBDSA-N -1 3 378.450 3.506 20 10 GHCDHM COC(=O)C1(C)CCC(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])CC1 ZINC001187192818 915083028 /nfs/dbraw/zinc/08/30/28/915083028.db2.gz DKXSHSPEDIJPHT-UHFFFAOYSA-N -1 3 390.867 3.580 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000775148035 915568232 /nfs/dbraw/zinc/56/82/32/915568232.db2.gz WRINMSMUBYUKRA-QMTHXVAHSA-N -1 3 382.220 3.598 20 10 GHCDHM [O-]c1c(Br)cccc1CNCc1csc(-c2ccccn2)n1 ZINC000775153954 915608532 /nfs/dbraw/zinc/60/85/32/915608532.db2.gz YAPLBSCSZUFNBQ-UHFFFAOYSA-N -1 3 376.279 3.963 20 10 GHCDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cccc(N=Nc2ccc(N(C)C)cc2)c1 ZINC001190974758 917677550 /nfs/dbraw/zinc/67/75/50/917677550.db2.gz RFXXOHOVVIOTHB-UHFFFAOYSA-N -1 3 392.463 3.878 20 10 GHCDHM O=[N+]([O-])c1ccc(Br)c(NNCc2c([O-])ccc3ccncc32)c1 ZINC000802740254 922373279 /nfs/dbraw/zinc/37/32/79/922373279.db2.gz CDEZJUBILBNPMT-UHFFFAOYSA-N -1 3 389.209 3.728 20 10 GHCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccc(Cl)nc1F ZINC001137437812 925787715 /nfs/dbraw/zinc/78/77/15/925787715.db2.gz DMHAXYQRGOYPRS-ZDUSSCGKSA-N -1 3 398.265 3.628 20 10 GHCDHM COc1cccc([C@H](C)N2CCN(Cc3cc(F)cc(C(C)=O)c3[O-])CC2)c1 ZINC000750825009 927877791 /nfs/dbraw/zinc/87/77/91/927877791.db2.gz BNMOIWMVSCNQIO-HNNXBMFYSA-N -1 3 386.467 3.621 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCCC[C@H]2CNC(=O)c2ccccc2)c1[O-] ZINC000750837329 927885037 /nfs/dbraw/zinc/88/50/37/927885037.db2.gz JVHGXNRSFAIDJE-IBGZPJMESA-N -1 3 384.451 3.518 20 10 GHCDHM O=[N+]([O-])c1cc(Cl)cc(CN[C@@H](CO)c2ccc(C(F)(F)F)cc2)c1[O-] ZINC000758633056 930111586 /nfs/dbraw/zinc/11/15/86/930111586.db2.gz LFKCIVIWLKOBBA-ZDUSSCGKSA-N -1 3 390.745 3.796 20 10 GHCDHM Cc1ccc(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)c([O-])c1O ZINC000780953664 930649192 /nfs/dbraw/zinc/64/91/92/930649192.db2.gz YWKYLQPDPVDIKL-UHFFFAOYSA-N -1 3 375.837 3.754 20 10 GHCDHM Cc1cc(NC(=O)c2ccc(C)c(O)c2[O-])nn1CCCOc1ccc(F)cc1 ZINC000781006094 930669587 /nfs/dbraw/zinc/66/95/87/930669587.db2.gz INIOFEOSTIVVIK-UHFFFAOYSA-N -1 3 399.422 3.772 20 10 GHCDHM CCN(Cc1ncnn1-c1ccccc1)Cc1cc(Br)ccc1[O-] ZINC000799125992 932884306 /nfs/dbraw/zinc/88/43/06/932884306.db2.gz XARKKYZIILCNAC-UHFFFAOYSA-N -1 3 387.281 3.758 20 10 GHCDHM CCn1nc(C(F)(F)F)c(C(=O)NCc2c([O-])cccc2F)c1C(F)F ZINC000928704845 933077796 /nfs/dbraw/zinc/07/77/96/933077796.db2.gz FTLDJWSUDGAAIV-UHFFFAOYSA-N -1 3 381.276 3.634 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N(C)Cc1cnc(C)s1 ZINC001121957203 934792201 /nfs/dbraw/zinc/79/22/01/934792201.db2.gz PJWMLLLVNJWIAQ-UHFFFAOYSA-N -1 3 386.506 3.682 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1Cc2cccc(OC)c2C1 ZINC001122036584 934805575 /nfs/dbraw/zinc/80/55/75/934805575.db2.gz SNXCMPBNYYACTQ-UHFFFAOYSA-N -1 3 393.472 3.809 20 10 GHCDHM COc1cccc([C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C(=O)[O-])c1 ZINC001599688232 991022503 /nfs/dbraw/zinc/02/25/03/991022503.db2.gz UQSSOPGTBLANPZ-QFIPXVFZSA-N -1 3 393.439 3.895 20 10 GHCDHM COc1ccc([C@@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC001599530378 997639301 /nfs/dbraw/zinc/63/93/01/997639301.db2.gz CKLOPDGSTPEJHT-HXUWFJFHSA-N -1 3 399.447 3.509 20 10 GHCDHM COC(=O)CC1CCC(Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)CC1 ZINC001227940753 1032706552 /nfs/dbraw/zinc/70/65/52/1032706552.db2.gz OEGIATOWMPZOLQ-UHFFFAOYSA-N -1 3 384.428 3.830 20 10 GHCDHM COC(=O)[C@H](Oc1c(O)c([O-])ccc1C(=O)c1ccccc1)c1ccccc1F ZINC001227942027 1032707436 /nfs/dbraw/zinc/70/74/36/1032707436.db2.gz ZMVATIZCABWRIQ-OAQYLSRUSA-N -1 3 396.370 3.761 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)c1cc2c(cc(Br)cc2F)[nH]1 ZINC001156164039 1032908491 /nfs/dbraw/zinc/90/84/91/1032908491.db2.gz KSMLQEMKIBBXSK-UHFFFAOYSA-N -1 3 381.176 3.844 20 10 GHCDHM C[C@@H](NCc1ncc(Br)cn1)c1cccc(C(F)(F)F)c1[O-] ZINC000903320347 1021591594 /nfs/dbraw/zinc/59/15/94/1021591594.db2.gz GDGANFLILYRCPL-MRVPVSSYSA-N -1 3 376.176 3.814 20 10 GHCDHM CCn1cc(CN(Cc2c(C)nn(C)c2C)Cc2ccc(Cl)cc2[O-])cn1 ZINC001140466274 1021760760 /nfs/dbraw/zinc/76/07/60/1021760760.db2.gz DSKQVVAMVPGOBC-UHFFFAOYSA-N -1 3 387.915 3.815 20 10 GHCDHM O=C(c1ccco1)N1CCCC12CCN(Cc1c([O-])cc(F)cc1F)CC2 ZINC001140581652 1022002556 /nfs/dbraw/zinc/00/25/56/1022002556.db2.gz WFOAFKSEWXDAAN-UHFFFAOYSA-N -1 3 376.403 3.534 20 10 GHCDHM CCOC(=O)c1sc([C@H](C)NCc2cc(F)cc(C(C)=O)c2[O-])nc1C ZINC000755034133 1023034401 /nfs/dbraw/zinc/03/44/01/1023034401.db2.gz LAPJWLRKSWJMKQ-JTQLQIEISA-N -1 3 380.441 3.526 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cc(F)ccc2Br)c1 ZINC000756457669 1023661766 /nfs/dbraw/zinc/66/17/66/1023661766.db2.gz SAIRUQLIQRZSBF-JTQLQIEISA-N -1 3 382.229 3.931 20 10 GHCDHM C[C@@H](NCC(=O)Nc1ccc(Br)cc1)c1cc(F)cc(F)c1[O-] ZINC000756478183 1023676618 /nfs/dbraw/zinc/67/66/18/1023676618.db2.gz DOKCPFOJJVLMMQ-SECBINFHSA-N -1 3 385.208 3.722 20 10 GHCDHM COc1ccc(Br)c(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756491688 1023683181 /nfs/dbraw/zinc/68/31/81/1023683181.db2.gz XNPQEWNZUDANAE-JTQLQIEISA-N -1 3 381.226 3.922 20 10 GHCDHM C[C@@H](NCc1csc(CNC(=O)c2ccccc2)n1)c1ccc(F)cc1[O-] ZINC000756643557 1023751261 /nfs/dbraw/zinc/75/12/61/1023751261.db2.gz VXEBXRFJWWHFQZ-CYBMUJFWSA-N -1 3 385.464 3.769 20 10 GHCDHM CCN1CCN(c2ccc(N[C@@H](C)c3cc([N+](=O)[O-])ccc3[O-])c(C)c2)CC1 ZINC000756792919 1023816574 /nfs/dbraw/zinc/81/65/74/1023816574.db2.gz PLZFTTZKYCGBLZ-INIZCTEOSA-N -1 3 384.480 3.924 20 10 GHCDHM Cc1ccc(C(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)c([O-])c1O ZINC001138212315 1024374615 /nfs/dbraw/zinc/37/46/15/1024374615.db2.gz RAGHUCYXNWIJMC-CQSZACIVSA-N -1 3 381.457 3.978 20 10 GHCDHM COC(=O)CC[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141372996 1024760858 /nfs/dbraw/zinc/76/08/58/1024760858.db2.gz IKMNHDWSQBNYGY-SNVBAGLBSA-N -1 3 376.678 3.583 20 10 GHCDHM CCOC[C@H]1CN(Cc2c([O-])cccc2Br)Cc2cnn(CC)c21 ZINC001140100462 1026877364 /nfs/dbraw/zinc/87/73/64/1026877364.db2.gz PTKWNNBNJOXXPO-CQSZACIVSA-N -1 3 394.313 3.507 20 10 GHCDHM O=S1(=O)CCN(Cc2cc3oc4ccccc4c3cc2[O-])[C@H](C2CCC2)C1 ZINC000840174338 1027309122 /nfs/dbraw/zinc/30/91/22/1027309122.db2.gz LPTHFXGVPPYEIE-SFHVURJKSA-N -1 3 385.485 3.691 20 10 GHCDHM O=C(C1CCCCC1)N1CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC001203649801 1027505411 /nfs/dbraw/zinc/50/54/11/1027505411.db2.gz HDYSCRDUBQWRKH-UHFFFAOYSA-N -1 3 395.341 3.769 20 10 GHCDHM C[C@H]1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)C[C@@H]1C(=O)[O-] ZINC000843041134 1029782688 /nfs/dbraw/zinc/78/26/88/1029782688.db2.gz OURTYRZDDWODDR-HOCLYGCPSA-N -1 3 395.341 3.982 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1 ZINC001149587582 1030235118 /nfs/dbraw/zinc/23/51/18/1030235118.db2.gz IQJZOXYUUIWFJG-OAQYLSRUSA-N -1 3 389.451 3.639 20 10 GHCDHM COc1ccc([C@H](C)NC(=O)NCc2c([O-])cccc2F)c(Br)c1 ZINC001225250851 1031322712 /nfs/dbraw/zinc/32/27/12/1031322712.db2.gz REKWLJBOMBBKSN-JTQLQIEISA-N -1 3 397.244 3.863 20 10 GHCDHM [O-]c1ccc(Br)cc1CNC(F)(F)c1cc(Cl)nc(=S)[nH]1 ZINC001160019375 1034831706 /nfs/dbraw/zinc/83/17/06/1034831706.db2.gz GALUCZAOYHTNCO-UHFFFAOYSA-N -1 3 396.644 3.726 20 10 GHCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1ccccc1OCC(F)F ZINC001461974373 1069924956 /nfs/dbraw/zinc/92/49/56/1069924956.db2.gz LDOUDRBQZHZPPJ-UHFFFAOYSA-N -1 3 399.821 3.865 20 10 GHCDHM COc1ccc(CN2CCC[C@@H](C)[C@H]2C)c([O-])c1I ZINC001248489000 1035910846 /nfs/dbraw/zinc/91/08/46/1035910846.db2.gz CDUFXGXXDQANPW-GHMZBOCLSA-N -1 3 375.250 3.626 20 10 GHCDHM COc1ccc(N2CCN(Cc3cc(Cl)c(OC)cc3[O-])CC2)c(C)c1 ZINC001232271633 1037997514 /nfs/dbraw/zinc/99/75/14/1037997514.db2.gz YGMRORVLIVJMKV-UHFFFAOYSA-N -1 3 376.884 3.693 20 10 GHCDHM [O-]c1cc(I)ccc1CN1CC[C@@H](F)C(F)(F)CC1 ZINC001232974276 1038746358 /nfs/dbraw/zinc/74/63/58/1038746358.db2.gz JWGLKECKRUJBTB-GFCCVEGCSA-N -1 3 385.167 3.566 20 10 GHCDHM CN1CCN(Cc2c([O-])cc(Br)cc2F)C[C@H]1c1ccccc1 ZINC001233030976 1038781809 /nfs/dbraw/zinc/78/18/09/1038781809.db2.gz UUQYHUYJKAPFMF-KRWDZBQOSA-N -1 3 379.273 3.783 20 10 GHCDHM CCOC(=O)CCC1CCN(Cc2c([O-])cc(Br)cc2F)CC1 ZINC001233031675 1038786226 /nfs/dbraw/zinc/78/62/26/1038786226.db2.gz KUVRJZFNFASNMN-UHFFFAOYSA-N -1 3 388.277 3.849 20 10 GHCDHM CCOC(=O)C[C@@H]1CCN(Cc2c([O-])cc(Br)cc2F)C[C@H]1C ZINC001233033438 1038787291 /nfs/dbraw/zinc/78/72/91/1038787291.db2.gz OBCCAEFYLPIDNN-NEPJUHHUSA-N -1 3 388.277 3.705 20 10 GHCDHM Cc1cnccc1O[C@@H]1CCN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233033671 1038789280 /nfs/dbraw/zinc/78/92/80/1038789280.db2.gz TVLWBCJYKLBJPP-CYBMUJFWSA-N -1 3 381.245 3.651 20 10 GHCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCCc3ccccc3C2)c1 ZINC001233308126 1039098797 /nfs/dbraw/zinc/09/87/97/1039098797.db2.gz DCRDLBXHWAKQQO-UHFFFAOYSA-N -1 3 390.277 3.890 20 10 GHCDHM [O-]c1ccc(F)c(F)c1CN1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 ZINC001233333213 1039130147 /nfs/dbraw/zinc/13/01/47/1039130147.db2.gz OAGMTLOCLQJOAS-LJQANCHMSA-N -1 3 395.400 3.803 20 10 GHCDHM Cc1ccc(N2C[C@]3(CCN(Cc4c([O-])ccc(F)c4F)C3)CC2=O)s1 ZINC001233333704 1039135576 /nfs/dbraw/zinc/13/55/76/1039135576.db2.gz FIKXJQZHNHKJJU-LJQANCHMSA-N -1 3 378.444 3.669 20 10 GHCDHM CC(C)C(=O)N1CCC[C@@]12CCN(Cc1cc(Br)cc(F)c1[O-])C2 ZINC001235063857 1040551893 /nfs/dbraw/zinc/55/18/93/1040551893.db2.gz BSFRJOJSRLKDLO-SFHVURJKSA-N -1 3 399.304 3.517 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC(Oc3cccnc3)CC2)c1 ZINC001236667009 1041814089 /nfs/dbraw/zinc/81/40/89/1041814089.db2.gz YXOWJXPCFGCVMM-UHFFFAOYSA-N -1 3 377.282 3.902 20 10 GHCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CC[C@]2(C1)CCCN(c1ncccn1)C2 ZINC001236789427 1041895911 /nfs/dbraw/zinc/89/59/11/1041895911.db2.gz GGNAVKIEWHONTJ-IBGZPJMESA-N -1 3 393.318 3.982 20 10 GHCDHM Cc1noc([C@@H]2C[C@@H]3CCN(Cc4cc(Cl)c(Cl)cc4[O-])C[C@H]3O2)n1 ZINC001236790952 1041896497 /nfs/dbraw/zinc/89/64/97/1041896497.db2.gz WTDKSRFAUSOUER-CIISACIHSA-N -1 3 384.263 3.743 20 10 GHCDHM COc1cc([O-])c(CN2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)c(Cl)c1 ZINC001236794986 1041899745 /nfs/dbraw/zinc/89/97/45/1041899745.db2.gz HBOHEYNOSSWYNC-CEWLAPEOSA-N -1 3 395.927 3.993 20 10 GHCDHM COc1ccc(CN(C2CC2)C2CN(C(=O)OC(C)(C)C)C2)c([O-])c1Cl ZINC001236806891 1041907978 /nfs/dbraw/zinc/90/79/78/1041907978.db2.gz KIDYQIBAXZIFHX-UHFFFAOYSA-N -1 3 382.888 3.638 20 10 GHCDHM COc1ccc(OC2CCN(Cc3ccc(OC)c(Cl)c3[O-])CC2)nc1 ZINC001236810323 1041910474 /nfs/dbraw/zinc/91/04/74/1041910474.db2.gz TWIYTHFEIYHWAV-UHFFFAOYSA-N -1 3 378.856 3.501 20 10 GHCDHM COc1ccc(O[C@@H]2CCCN(Cc3ccc(OC)c(Cl)c3[O-])C2)nc1 ZINC001236810600 1041910536 /nfs/dbraw/zinc/91/05/36/1041910536.db2.gz VCKLOOAAGZZGHR-OAHLLOKOSA-N -1 3 378.856 3.501 20 10 GHCDHM O=C(NC1CCCC1)[C@H]1CC12CCN(Cc1c([O-])ccc(F)c1Cl)CC2 ZINC001278022866 1041939856 /nfs/dbraw/zinc/93/98/56/1041939856.db2.gz BMYYBZYAZDQOTN-OAHLLOKOSA-N -1 3 380.891 3.846 20 10 GHCDHM CCCCN1CC[C@]2(CCN(Cc3c([O-])cc(Br)cc3F)C2)C1=O ZINC001278045721 1042007395 /nfs/dbraw/zinc/00/73/95/1042007395.db2.gz PXMDKYCCHAAWJA-SFHVURJKSA-N -1 3 399.304 3.518 20 10 GHCDHM COc1cc([O-])c(CN2CCc3ncc(Cl)cc3C2)c(Br)c1 ZINC001237066895 1042018654 /nfs/dbraw/zinc/01/86/54/1042018654.db2.gz DIFHUZTWQARXET-UHFFFAOYSA-N -1 3 383.673 3.770 20 10 GHCDHM CCN(Cc1ccc2c(c1)OCO2)Cc1c([O-])cc(OC)cc1Br ZINC001237069072 1042019719 /nfs/dbraw/zinc/01/97/19/1042019719.db2.gz YAQRCGKRDKJJTA-UHFFFAOYSA-N -1 3 394.265 3.914 20 10 GHCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001237619109 1042286545 /nfs/dbraw/zinc/28/65/45/1042286545.db2.gz MWDXIFOVTXXSQH-BHIYHBOVSA-N -1 3 392.858 3.781 20 10 GHCDHM Cc1cc([O-])c(CN2[C@H](CO)CCC[C@H]2C(F)(F)F)cc1Br ZINC001237675809 1042317140 /nfs/dbraw/zinc/31/71/40/1042317140.db2.gz BNHWVONSPUAQRU-FZMZJTMJSA-N -1 3 382.220 3.741 20 10 GHCDHM [O-]c1c(CN2CC[C@@H]3OCC[C@H]3C2)cc(Br)cc1C(F)(F)F ZINC001237792155 1042372742 /nfs/dbraw/zinc/37/27/42/1042372742.db2.gz PTQJURQBZUIFMR-ZANVPECISA-N -1 3 380.204 3.784 20 10 GHCDHM Cc1cc(CC(C)(C)NC(=O)c2cccc(O)c2[O-])ccc1Br ZINC001298711994 1045926575 /nfs/dbraw/zinc/92/65/75/1045926575.db2.gz ALMSGBAHAYUNBG-UHFFFAOYSA-N -1 3 378.266 3.920 20 10 GHCDHM O=C([C@H]1CC12CCN(Cc1cc(Cl)cc(Cl)c1[O-])CC2)N1CCCCO1 ZINC001279976540 1048024082 /nfs/dbraw/zinc/02/40/82/1048024082.db2.gz ZOPRNPBTNKSGNQ-OAHLLOKOSA-N -1 3 399.318 3.855 20 10 GHCDHM CCCCOc1ccc(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)c([O-])c1 ZINC001306860040 1048931234 /nfs/dbraw/zinc/93/12/34/1048931234.db2.gz WFPJQWSAMAOVKA-KRWDZBQOSA-N -1 3 398.503 3.836 20 10 GHCDHM [O-]c1c(Br)cc(Cl)cc1CN1CCC[C@@H](c2ccncn2)C1 ZINC001308627414 1050039093 /nfs/dbraw/zinc/03/90/93/1050039093.db2.gz KHPMPPRNPXFYLN-LLVKDONJSA-N -1 3 382.689 3.978 20 10 GHCDHM [O-]c1c(F)cccc1CNCc1ccn(-c2ccc(Br)cc2)n1 ZINC001308938426 1050198171 /nfs/dbraw/zinc/19/81/71/1050198171.db2.gz MBGPHEMMTKPGLA-UHFFFAOYSA-N -1 3 376.229 3.769 20 10 GHCDHM CCOc1ccc(N2CCN(C(=O)CCCc3ccc([O-])c(F)c3)CC2)cc1 ZINC001320621353 1055905654 /nfs/dbraw/zinc/90/56/54/1055905654.db2.gz ORBCKVPSNXMNEQ-UHFFFAOYSA-N -1 3 386.467 3.602 20 10 GHCDHM Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)[N-]n2cnc3ccccc3c2=O)c1 ZINC001322051434 1056491920 /nfs/dbraw/zinc/49/19/20/1056491920.db2.gz HBVWANLQIGGFKF-UHFFFAOYSA-N -1 3 392.846 3.841 20 10 GHCDHM CCn1c2ccc(Br)cc2nc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC001545884369 1062061294 /nfs/dbraw/zinc/06/12/94/1062061294.db2.gz RNZZPSDBIQMINB-UHFFFAOYSA-N -1 3 390.237 3.791 20 10 GHCDHM CC(C)(C)OC(=O)N[C@@H](CC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC001456029381 1062419203 /nfs/dbraw/zinc/41/92/03/1062419203.db2.gz MXUYRJXTBCTOTN-KRWDZBQOSA-N -1 3 388.439 3.804 20 10 GHCDHM Cc1cc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)c(C)n1-c1cccc(C)c1 ZINC001456331475 1062617979 /nfs/dbraw/zinc/61/79/79/1062617979.db2.gz KXIREZUMVZMUER-UHFFFAOYSA-N -1 3 380.448 3.943 20 10 GHCDHM Cc1cc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)c(C)n1-c1cccc(C)c1 ZINC001456331475 1062617993 /nfs/dbraw/zinc/61/79/93/1062617993.db2.gz KXIREZUMVZMUER-UHFFFAOYSA-N -1 3 380.448 3.943 20 10 GHCDHM Cc1cc(CN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)ccc1N(C)C ZINC001460265423 1068895717 /nfs/dbraw/zinc/89/57/17/1068895717.db2.gz MMYVWFJCTDIXMU-KRWDZBQOSA-N -1 3 391.437 3.671 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)c1cc2ccc(C(F)(F)F)cc2[nH]c1=O ZINC001471975817 1073288580 /nfs/dbraw/zinc/28/85/80/1073288580.db2.gz ILQBHNPCZWSIRT-UHFFFAOYSA-N -1 3 380.297 3.734 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCCN(c3cccc(F)c3F)CC2)c1[O-] ZINC001473489653 1073987198 /nfs/dbraw/zinc/98/71/98/1073987198.db2.gz NQURHDCTTADKLV-UHFFFAOYSA-N -1 3 378.394 3.724 20 10 GHCDHM COC(=O)c1ccc(F)c2c1CN(Cc1ccc(Br)cc1[O-])CC2 ZINC001474628646 1074489927 /nfs/dbraw/zinc/48/99/27/1074489927.db2.gz JMZYQTGUWXPXCS-UHFFFAOYSA-N -1 3 394.240 3.639 20 10 GHCDHM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)s3)SC2=S)cc1C ZINC000822241459 606394056 /nfs/dbraw/zinc/39/40/56/606394056.db2.gz XHSZIPADZCHTSJ-ZSOIEALJSA-N -1 3 399.526 3.951 20 10 GHCDHM CC1CCN(c2cccc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)c2)CC1 ZINC000820727107 606681543 /nfs/dbraw/zinc/68/15/43/606681543.db2.gz GQPLQSOFNGTMKB-UHFFFAOYSA-N -1 3 398.417 3.634 20 10 GHCDHM CC1CCN(c2cccc(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)c2)CC1 ZINC000820727107 606681544 /nfs/dbraw/zinc/68/15/44/606681544.db2.gz GQPLQSOFNGTMKB-UHFFFAOYSA-N -1 3 398.417 3.634 20 10 GHCDHM O=C(Nc1cccc(N2CCCCCC2)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823363670 606682245 /nfs/dbraw/zinc/68/22/45/606682245.db2.gz LERTZZGEGPFUDY-UHFFFAOYSA-N -1 3 398.417 3.778 20 10 GHCDHM O=C(Nc1cccc(N2CCCCCC2)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823363670 606682246 /nfs/dbraw/zinc/68/22/46/606682246.db2.gz LERTZZGEGPFUDY-UHFFFAOYSA-N -1 3 398.417 3.778 20 10 GHCDHM CCN(C(=O)C=Cc1cnc(C(C)(C)C)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366713 607798057 /nfs/dbraw/zinc/79/80/57/607798057.db2.gz FGXYJBMETSVKNU-KHPPLWFESA-N -1 3 382.493 3.687 20 10 GHCDHM CCN(C(=O)C=Cc1cnc(C(C)(C)C)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366713 607798058 /nfs/dbraw/zinc/79/80/58/607798058.db2.gz FGXYJBMETSVKNU-KHPPLWFESA-N -1 3 382.493 3.687 20 10 GHCDHM Clc1ccc(C2=CCN(c3nc4ccccc4cc3-c3nnn[n-]3)CC2)cn1 ZINC000826351639 608296212 /nfs/dbraw/zinc/29/62/12/608296212.db2.gz UPBNAKKRKRTHQX-UHFFFAOYSA-N -1 3 389.850 3.757 20 10 GHCDHM Clc1ccc(C2=CCN(c3nc4ccccc4cc3-c3nn[n-]n3)CC2)cn1 ZINC000826351639 608296215 /nfs/dbraw/zinc/29/62/15/608296215.db2.gz UPBNAKKRKRTHQX-UHFFFAOYSA-N -1 3 389.850 3.757 20 10 GHCDHM COC(=O)CN(Cc1c[nH]c(-c2ccccc2)n1)Cc1cc(Cl)ccc1[O-] ZINC000179555495 835878471 /nfs/dbraw/zinc/87/84/71/835878471.db2.gz UMRUTBHIFQPVKG-UHFFFAOYSA-N -1 3 385.851 3.611 20 10 GHCDHM CC(C)c1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)no1 ZINC000122629022 837894771 /nfs/dbraw/zinc/89/47/71/837894771.db2.gz SCFWMXUYIWNUEK-OAHLLOKOSA-N -1 3 377.872 3.551 20 10 GHCDHM CC(=O)Oc1ccc(/C=C/C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc1 ZINC001143513150 841398096 /nfs/dbraw/zinc/39/80/96/841398096.db2.gz UUBIQKKWGJRLOF-RMKNXTFCSA-N -1 3 396.830 3.849 20 10 GHCDHM COc1c([O-])c(CNc2cccc(C[S@](=O)C(C)(C)C)c2)ccc1[N+](=O)[O-] ZINC000278939782 842337635 /nfs/dbraw/zinc/33/76/35/842337635.db2.gz XMJULRPXJQNVAQ-MHZLTWQESA-N -1 3 392.477 3.968 20 10 GHCDHM COc1c([O-])c(CNc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000278882544 843501070 /nfs/dbraw/zinc/50/10/70/843501070.db2.gz OJFQVVDLMKFZBT-KBPBESRZSA-N -1 3 387.436 3.535 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(OCc3noc(C)n3)cc2)c1 ZINC000273449311 847342177 /nfs/dbraw/zinc/34/21/77/847342177.db2.gz OIAHINZXKGABLM-LBPRGKRZSA-N -1 3 383.404 3.622 20 10 GHCDHM CC1(c2nnc(-c3cccc(F)c3)o2)CN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000895365937 859275234 /nfs/dbraw/zinc/27/52/34/859275234.db2.gz KYXWLIICABDYIY-UHFFFAOYSA-N -1 3 375.350 3.633 20 10 GHCDHM COC(=O)CN(Cc1coc(-c2ccccc2)n1)Cc1cc(Cl)ccc1[O-] ZINC000173363125 864677178 /nfs/dbraw/zinc/67/71/78/864677178.db2.gz QQAPCIRYFRWCTJ-UHFFFAOYSA-N -1 3 386.835 3.876 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@H]2Nc3ccc(Cl)cc3C(=O)N2CC2CC2)c1 ZINC000740898572 866087225 /nfs/dbraw/zinc/08/72/25/866087225.db2.gz YBLJQYXMJRWSQI-SFHVURJKSA-N -1 3 386.835 3.809 20 10 GHCDHM COC(=O)CN(Cc1cnc(CC(C)C)s1)Cc1cc(Cl)ccc1[O-] ZINC000769380368 874008219 /nfs/dbraw/zinc/00/82/19/874008219.db2.gz VDCWJBMSGOZRJB-UHFFFAOYSA-N -1 3 382.913 3.876 20 10 GHCDHM Cc1cccc([C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C(C)(C)C)c1 ZINC000769951706 874361368 /nfs/dbraw/zinc/36/13/68/874361368.db2.gz CEGNRPLXWNETKH-SFHVURJKSA-N -1 3 390.505 3.589 20 10 GHCDHM COc1cnc(Cl)c(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001199262735 874879638 /nfs/dbraw/zinc/87/96/38/874879638.db2.gz XKRBWXLNJVFUBQ-UHFFFAOYSA-N -1 3 378.215 3.581 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cnccc1N1CCCC1 ZINC001199372345 874952246 /nfs/dbraw/zinc/95/22/46/874952246.db2.gz OGZTUAANTVAHKK-UHFFFAOYSA-N -1 3 382.851 3.519 20 10 GHCDHM CC(C)c1ocnc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000771059466 875014586 /nfs/dbraw/zinc/01/45/86/875014586.db2.gz RQBOXOSYDVHEMK-HNNXBMFYSA-N -1 3 377.872 3.551 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc([O-])c(Cl)c1 ZINC000771058894 875016343 /nfs/dbraw/zinc/01/63/43/875016343.db2.gz ONLPPVVAXMVGPQ-OAHLLOKOSA-N -1 3 395.286 3.799 20 10 GHCDHM CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(F)c2[O-])C1 ZINC000530007127 876963251 /nfs/dbraw/zinc/96/32/51/876963251.db2.gz XQOHQAXEGDATKN-UHFFFAOYSA-N -1 3 381.451 3.891 20 10 GHCDHM CC[C@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])c1nnc2n1CCCCC2 ZINC000852627690 878478801 /nfs/dbraw/zinc/47/88/01/878478801.db2.gz HMCSRBUHGDZRGJ-INIZCTEOSA-N -1 3 376.888 3.807 20 10 GHCDHM COC(=O)c1cc2c(NCc3cc(Cl)c4cccnc4c3[O-])[nH]ccc-2n1 ZINC001168525806 879734459 /nfs/dbraw/zinc/73/44/59/879734459.db2.gz LQRLACFFEQYYKL-UHFFFAOYSA-N -1 3 382.807 3.869 20 10 GHCDHM COC(=O)[C@@H](NCc1ccc(Br)cc1[O-])c1ccc(C)c(C)c1 ZINC000825563432 886812443 /nfs/dbraw/zinc/81/24/43/886812443.db2.gz XHMSQLUWQZVCSV-KRWDZBQOSA-N -1 3 378.266 3.775 20 10 GHCDHM COc1ccc(O)c([C@@H](C)NCc2cc(=O)oc3cc([O-])c(Cl)cc23)c1 ZINC000794561683 887387322 /nfs/dbraw/zinc/38/73/22/887387322.db2.gz IOQDHXCQFJLUHT-SNVBAGLBSA-N -1 3 375.808 3.717 20 10 GHCDHM CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000828007109 887521472 /nfs/dbraw/zinc/52/14/72/887521472.db2.gz JGLDMABTZSHKRA-OAQYLSRUSA-N -1 3 392.496 3.501 20 10 GHCDHM CC(C)NC(=O)OC[C@@H]1CCCCN1Cc1cccc(Br)c1[O-] ZINC000809721041 887747323 /nfs/dbraw/zinc/74/73/23/887747323.db2.gz RQCACKBUQMLJPJ-AWEZNQCLSA-N -1 3 385.302 3.644 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2C[C@@H](C)NC(=O)c3ccccc32)c1 ZINC000811508196 889701149 /nfs/dbraw/zinc/70/11/49/889701149.db2.gz FKFSFQFSTHMLOI-GFCCVEGCSA-N -1 3 375.266 3.602 20 10 GHCDHM C[C@@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000815627742 894058256 /nfs/dbraw/zinc/05/82/56/894058256.db2.gz IHDCKELNUIGLKU-CYBMUJFWSA-N -1 3 393.409 3.516 20 10 GHCDHM COc1ccc(N(C)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)c(OC)c1 ZINC000132040598 897642788 /nfs/dbraw/zinc/64/27/88/897642788.db2.gz MGLUBIJMRSATIE-UHFFFAOYSA-N -1 3 397.456 3.898 20 10 GHCDHM CC[C@@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000844213307 900608400 /nfs/dbraw/zinc/60/84/00/900608400.db2.gz WPKWZEGUTGQRHR-SINXNMPMSA-N -1 3 395.459 3.793 20 10 GHCDHM C[C@@H](NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1c([O-])cccc1F ZINC000886607819 901187192 /nfs/dbraw/zinc/18/71/92/901187192.db2.gz ZHICXBWWYOMASO-MCMMXHMISA-N -1 3 397.450 3.607 20 10 GHCDHM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000092585600 901500155 /nfs/dbraw/zinc/50/01/55/901500155.db2.gz KBTYVGZQAHNCNW-SNVBAGLBSA-N -1 3 389.304 3.539 20 10 GHCDHM Cc1ccn2cc(CN(C)Cc3cc(Br)c(F)cc3[O-])nc2c1 ZINC001144308403 901700896 /nfs/dbraw/zinc/70/08/96/901700896.db2.gz MUWPZTIYNMHGPG-UHFFFAOYSA-N -1 3 378.245 3.882 20 10 GHCDHM CCOC(=O)C[C@@H]1CCN(Cc2cc(Br)c(F)cc2[O-])C[C@H]1C ZINC001144308717 901702964 /nfs/dbraw/zinc/70/29/64/901702964.db2.gz UTVTYOHXCMSECD-NEPJUHHUSA-N -1 3 388.277 3.705 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CCC2(COc3ccc(C(F)(F)F)cc32)CC1 ZINC001148219379 904010102 /nfs/dbraw/zinc/01/01/02/904010102.db2.gz ZULQDJDYXFHXLR-UHFFFAOYSA-N -1 3 393.361 3.683 20 10 GHCDHM CN(Cc1nccn1CC(F)(F)F)Cc1cc(Br)ccc1[O-] ZINC000271147502 910794752 /nfs/dbraw/zinc/79/47/52/910794752.db2.gz ISGMWWKBWBSQFI-UHFFFAOYSA-N -1 3 378.192 3.546 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCN(c3cccc4cnccc43)C[C@@H]2C)c1[O-] ZINC000773962294 911127752 /nfs/dbraw/zinc/12/77/52/911127752.db2.gz UKRPJVIYVOBOQQ-HNNXBMFYSA-N -1 3 393.462 3.993 20 10 GHCDHM O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc2sccc2c([O-])c1 ZINC000773977710 911180264 /nfs/dbraw/zinc/18/02/64/911180264.db2.gz HXWYFUKEVNBCHO-UHFFFAOYSA-N -1 3 396.512 3.746 20 10 GHCDHM COC[C@H](C)Oc1ccc(Cl)cc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775105726 915113001 /nfs/dbraw/zinc/11/30/01/915113001.db2.gz CMNUXLJLTUKUEK-NSHDSACASA-N -1 3 396.827 3.988 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cccc(-c2cn[nH]c2)c1 ZINC001189257247 916500882 /nfs/dbraw/zinc/50/08/82/916500882.db2.gz SAMRBKXFPXXUIX-UHFFFAOYSA-N -1 3 378.819 3.914 20 10 GHCDHM CCOC(=O)CCCCCNC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001189675175 916799870 /nfs/dbraw/zinc/79/98/70/916799870.db2.gz OROOPDOBXFSDKR-UHFFFAOYSA-N -1 3 393.871 3.517 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cncc(C(F)(F)F)c1 ZINC001190940362 917651594 /nfs/dbraw/zinc/65/15/94/917651594.db2.gz IVPAVNJZTZTSJM-UHFFFAOYSA-N -1 3 381.741 3.938 20 10 GHCDHM CC[C@@H]([NH2+][C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000903397479 922986133 /nfs/dbraw/zinc/98/61/33/922986133.db2.gz FIQYVEDKEGOLMT-SMDDNHRTSA-N -1 3 383.279 3.514 20 10 GHCDHM Cc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)c([O-])c1O ZINC000780916733 930638275 /nfs/dbraw/zinc/63/82/75/930638275.db2.gz MFOYYEGEDKUPEY-UHFFFAOYSA-N -1 3 378.881 3.865 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1 ZINC000797604401 932342414 /nfs/dbraw/zinc/34/24/14/932342414.db2.gz FJTHDNFUJQPWIM-GLJUWKHASA-N -1 3 384.314 3.622 20 10 GHCDHM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2c([O-])cccc2F)C[C@H]1C(F)(F)F ZINC001137840352 935817912 /nfs/dbraw/zinc/81/79/12/935817912.db2.gz YMZBWTHHMDNOGZ-OCCSQVGLSA-N -1 3 392.393 3.809 20 10 GHCDHM CCOC(=O)[C@H]1CC[C@H](Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)CC1 ZINC001227939028 1032705903 /nfs/dbraw/zinc/70/59/03/1032705903.db2.gz BGBXAZRDYKJMJF-WKILWMFISA-N -1 3 384.428 3.830 20 10 GHCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1OC[C@@H]1COc2cscc2O1 ZINC001227941007 1032706758 /nfs/dbraw/zinc/70/67/58/1032706758.db2.gz QIFRJARGMJWFSF-ZDUSSCGKSA-N -1 3 384.409 3.609 20 10 GHCDHM CCOc1ccc(Br)c(C(=O)NCc2c([O-])cccc2F)c1F ZINC001156170077 1032911071 /nfs/dbraw/zinc/91/10/71/1032911071.db2.gz FOYFVNAUCSZDHM-UHFFFAOYSA-N -1 3 386.192 3.762 20 10 GHCDHM Cc1cc([O-])c(CN2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c(Cl)c1 ZINC001204523522 1032948449 /nfs/dbraw/zinc/94/84/49/1032948449.db2.gz JBWQGSKGJBAOFV-UHFFFAOYSA-N -1 3 397.906 3.722 20 10 GHCDHM CC(C)(C)OC(=O)N1CCC[C@@]2(CN(Cc3c([O-])cccc3Cl)CCO2)C1 ZINC001140338044 1021442117 /nfs/dbraw/zinc/44/21/17/1021442117.db2.gz SMOHICISRMKQLV-HXUWFJFHSA-N -1 3 396.915 3.648 20 10 GHCDHM CCOC[C@H]1CN(Cc2c([O-])cccc2Cl)Cc2nn(CC3CC3)cc21 ZINC001140339161 1021445425 /nfs/dbraw/zinc/44/54/25/1021445425.db2.gz UFKLEKKBBIJZQR-OAHLLOKOSA-N -1 3 375.900 3.788 20 10 GHCDHM CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(Cc3c([O-])cc(F)cc3F)C2)C1 ZINC001140582856 1022003913 /nfs/dbraw/zinc/00/39/13/1022003913.db2.gz NTCBSYHUUORQKM-FQEVSTJZSA-N -1 3 382.451 3.893 20 10 GHCDHM CC(C)N1CCN(c2cccc(NC(=O)c3cc(F)c(F)c([O-])c3F)c2)CC1 ZINC000755704873 1023342057 /nfs/dbraw/zinc/34/20/57/1023342057.db2.gz SMSMERKXGAOFEA-UHFFFAOYSA-N -1 3 393.409 3.592 20 10 GHCDHM C[C@H](N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756778638 1023813206 /nfs/dbraw/zinc/81/32/06/1023813206.db2.gz OEZHXBRYPDAXMP-QFYYESIMSA-N -1 3 393.802 3.549 20 10 GHCDHM C[C@H](NCc1ccnc(N(C)C)n1)c1cc(Br)cc(Cl)c1[O-] ZINC000756788828 1023816885 /nfs/dbraw/zinc/81/68/85/1023816885.db2.gz DAVYQYHSHUZOHN-VIFPVBQESA-N -1 3 385.693 3.515 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cccc(C(=O)N3CCCCC3)c2)c1 ZINC000756895194 1023849822 /nfs/dbraw/zinc/84/98/22/1023849822.db2.gz SPBXRWXPXWLQJY-HNNXBMFYSA-N -1 3 382.460 3.978 20 10 GHCDHM O=c1ccc2c([nH]1)CCN(Cc1cc(Cl)cc(Br)c1[O-])CC2 ZINC001141374663 1024767339 /nfs/dbraw/zinc/76/73/39/1024767339.db2.gz LZPDHWNYIPQNPG-UHFFFAOYSA-N -1 3 383.673 3.510 20 10 GHCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCN(Cc2ccccc2)C[C@H]1C ZINC001139129431 1025941873 /nfs/dbraw/zinc/94/18/73/1025941873.db2.gz ZKRQRZRWNNKXJC-QGZVFWFLSA-N -1 3 378.472 3.513 20 10 GHCDHM COc1cc2c(cc1OC)CN(Cc1c([O-])cccc1Br)CC2 ZINC001140101077 1026879683 /nfs/dbraw/zinc/87/96/83/1026879683.db2.gz JIEPQBZOBPGKER-UHFFFAOYSA-N -1 3 378.266 3.730 20 10 GHCDHM O=C(c1ccsc1)N1C[C@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]2C1 ZINC001203577247 1027445674 /nfs/dbraw/zinc/44/56/74/1027445674.db2.gz AUXHJWCVCNLYRR-OKILXGFUSA-N -1 3 397.327 3.965 20 10 GHCDHM C[C@@H]1CN(Cc2cc(Br)ccc2[O-])CCN1C(=O)OC(C)(C)C ZINC001203635830 1027493480 /nfs/dbraw/zinc/49/34/80/1027493480.db2.gz HMIPGFVREYBCPR-GFCCVEGCSA-N -1 3 385.302 3.596 20 10 GHCDHM COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)NCc1c([O-])cccc1F ZINC001216709570 1029899976 /nfs/dbraw/zinc/89/99/76/1029899976.db2.gz SRHOAQHFBUVPQZ-NSHDSACASA-N -1 3 382.819 3.920 20 10 GHCDHM CCN1CC[C@H](OC2=CC(=O)C=CC2=NNc2ccc(S(=O)(=O)[O-])cc2)C1 ZINC001229414266 1033469558 /nfs/dbraw/zinc/46/95/58/1033469558.db2.gz LJKYLJYKFVQWOP-CVTQAYBASA-N -1 3 391.449 3.527 20 10 GHCDHM O=C1NCc2c1c(NCc1cc(Cl)c3cccnc3c1[O-])nc(Cl)c2F ZINC001157726612 1033741903 /nfs/dbraw/zinc/74/19/03/1033741903.db2.gz UBDQDRFZFZZBDL-UHFFFAOYSA-N -1 3 393.205 3.637 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)Nc1cnn(Cc2cc(F)ccc2Cl)c1 ZINC001206685983 1033944417 /nfs/dbraw/zinc/94/44/17/1033944417.db2.gz MXYILXKPBLYCAZ-UHFFFAOYSA-N -1 3 392.793 3.890 20 10 GHCDHM O=C([O-])c1ccc(C[NH+]2CCC(C(=O)c3cnc4ccccc4c3)CC2)c([O-])c1 ZINC001231452916 1034597226 /nfs/dbraw/zinc/59/72/26/1034597226.db2.gz HSDCLBVVQDPVSH-UHFFFAOYSA-N -1 3 390.439 3.734 20 10 GHCDHM CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454106 1034598633 /nfs/dbraw/zinc/59/86/33/1034598633.db2.gz NOECDTLVFUUNCW-XKQJLSEDSA-N -1 3 375.465 3.565 20 10 GHCDHM CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454106 1034598639 /nfs/dbraw/zinc/59/86/39/1034598639.db2.gz NOECDTLVFUUNCW-XKQJLSEDSA-N -1 3 375.465 3.565 20 10 GHCDHM Cc1cc([O-])c(CN2Cc3nn(C)cc3[C@H](COCC3CC3)C2)cc1Cl ZINC001231868940 1034956564 /nfs/dbraw/zinc/95/65/64/1034956564.db2.gz ZPVRVNIFXCVVPC-INIZCTEOSA-N -1 3 375.900 3.614 20 10 GHCDHM CCOC(=O)CN(Cc1ccc(OC)cc1)Cc1cc(Cl)c(C)cc1[O-] ZINC001231871124 1034957409 /nfs/dbraw/zinc/95/74/09/1034957409.db2.gz ZEIMFVWLUHHYKQ-UHFFFAOYSA-N -1 3 377.868 3.928 20 10 GHCDHM CCN(CC)c1ccnc([C@H]2COCCN2Cc2ccc3ccccc3c2[O-])n1 ZINC001231882245 1034965671 /nfs/dbraw/zinc/96/56/71/1034965671.db2.gz OCVHMOIEOYZSGY-HXUWFJFHSA-N -1 3 392.503 3.755 20 10 GHCDHM COc1ccc(CN2[C@H](C)CCC[C@H]2C)c([O-])c1I ZINC001248476369 1035903593 /nfs/dbraw/zinc/90/35/93/1035903593.db2.gz DVMQJSGXISMQKM-GHMZBOCLSA-N -1 3 375.250 3.768 20 10 GHCDHM COc1cc([O-])c(CN2CCN(c3nsc4ccccc43)CC2)cc1Cl ZINC001232268754 1037991600 /nfs/dbraw/zinc/99/16/00/1037991600.db2.gz UOZHBTNSJRTTJO-UHFFFAOYSA-N -1 3 389.908 3.986 20 10 GHCDHM CCOc1ccc(N2CCN(Cc3cc(Cl)c(OC)cc3[O-])CC2)cc1 ZINC001232271502 1037995883 /nfs/dbraw/zinc/99/58/83/1037995883.db2.gz VKHXQVHWVQKNAS-UHFFFAOYSA-N -1 3 376.884 3.775 20 10 GHCDHM [O-]c1cc(I)ccc1CN1CCO[C@@H](c2ccccc2)C1 ZINC001232978077 1038747273 /nfs/dbraw/zinc/74/72/73/1038747273.db2.gz WSNMAYNPGKKMTP-QGZVFWFLSA-N -1 3 395.240 3.570 20 10 GHCDHM [O-]c1cc(I)ccc1CN1CCC[C@H](C(F)(F)F)C1 ZINC001232978419 1038747651 /nfs/dbraw/zinc/74/76/51/1038747651.db2.gz GTTAICZRZGBTLV-JTQLQIEISA-N -1 3 385.167 3.771 20 10 GHCDHM [O-]c1cc(I)ccc1CN1CCc2ccc(F)cc2C1 ZINC001232980301 1038748466 /nfs/dbraw/zinc/74/84/66/1038748466.db2.gz PJLVPBCMFAVAJV-UHFFFAOYSA-N -1 3 383.204 3.694 20 10 GHCDHM CCOC(=O)C[C@H]1CCN(Cc2c([O-])cc(Br)cc2F)C[C@H]1C ZINC001233033441 1038788063 /nfs/dbraw/zinc/78/80/63/1038788063.db2.gz OBCCAEFYLPIDNN-VXGBXAGGSA-N -1 3 388.277 3.705 20 10 GHCDHM O=C(c1ccccc1F)N1CCN(Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233454374 1039343035 /nfs/dbraw/zinc/34/30/35/1039343035.db2.gz SJKHGEKTQVDEKH-UHFFFAOYSA-N -1 3 382.357 3.508 20 10 GHCDHM CCOC(=O)CN(Cc1ccc(OC)cc1)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454541 1039344046 /nfs/dbraw/zinc/34/40/46/1039344046.db2.gz YOUXOXHERSEETJ-UHFFFAOYSA-N -1 3 397.393 3.985 20 10 GHCDHM O=c1c2cc(O)c(O)cc2oc2cc([O-])cc(O[C@@H]3CCc4cccnc43)c12 ZINC001234746724 1040272521 /nfs/dbraw/zinc/27/25/21/1040272521.db2.gz DEDUCLSMAOPHBA-OAHLLOKOSA-N -1 3 377.352 3.524 20 10 GHCDHM [O-]c1c(CN2CCn3c(COCC4CC4)nnc3C2)cccc1-c1ccccc1 ZINC001234990010 1040486136 /nfs/dbraw/zinc/48/61/36/1040486136.db2.gz ZCNLDCIZRJLIID-UHFFFAOYSA-N -1 3 390.487 3.593 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@@H](Oc3nccc(C)n3)C2)c1 ZINC001236671082 1041818222 /nfs/dbraw/zinc/81/82/22/1041818222.db2.gz SDUBUCIZQUEJMV-OAHLLOKOSA-N -1 3 392.297 3.605 20 10 GHCDHM NC(=O)c1ccc(OC2CCN(Cc3cc(Cl)c(Cl)cc3[O-])CC2)cc1 ZINC001236799843 1041903223 /nfs/dbraw/zinc/90/32/23/1041903223.db2.gz QLRLYTKWHCENOR-UHFFFAOYSA-N -1 3 395.286 3.841 20 10 GHCDHM O=C1N(CC2CCCC2)CC[C@@]12CCCN2Cc1c([O-])ccc(F)c1Cl ZINC001278025038 1041945966 /nfs/dbraw/zinc/94/59/66/1041945966.db2.gz LLCYPMOFWGENDC-FQEVSTJZSA-N -1 3 380.891 3.942 20 10 GHCDHM CC[C@H](C)N1CC[C@]2(CCN(Cc3c([O-])cc(Br)cc3F)C2)C1=O ZINC001278043678 1041998516 /nfs/dbraw/zinc/99/85/16/1041998516.db2.gz MWXUWWGQRBFNBJ-SGTLLEGYSA-N -1 3 399.304 3.517 20 10 GHCDHM COc1ccc2c(c1)CCN(Cc1c([O-])cc(OC)cc1Br)C2 ZINC001237064292 1042017656 /nfs/dbraw/zinc/01/76/56/1042017656.db2.gz ZSSNSDJLZYAQHP-UHFFFAOYSA-N -1 3 378.266 3.730 20 10 GHCDHM COc1cc([O-])c(CN2CC(OCc3ccccc3)C2)c(Br)c1 ZINC001237073331 1042022252 /nfs/dbraw/zinc/02/22/52/1042022252.db2.gz QXABNWGTRXYRIL-UHFFFAOYSA-N -1 3 378.266 3.564 20 10 GHCDHM CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3c([O-])ccc(Cl)c3Cl)C[C@H]2C1 ZINC001237078599 1042024153 /nfs/dbraw/zinc/02/41/53/1042024153.db2.gz VGAQQMNNXKTZEB-TXEJJXNPSA-N -1 3 387.307 3.998 20 10 GHCDHM CC(C)N(C)Cc1cnc2n1CCN(Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001237079410 1042025594 /nfs/dbraw/zinc/02/55/94/1042025594.db2.gz CNNQNCLSKROISS-UHFFFAOYSA-N -1 3 383.323 3.752 20 10 GHCDHM CC(C)Oc1ncnc2c1CCN(Cc1c([O-])ccc(Cl)c1Cl)CC2 ZINC001237081375 1042026522 /nfs/dbraw/zinc/02/65/22/1042026522.db2.gz XGFYKKLQVNCPMZ-UHFFFAOYSA-N -1 3 382.291 3.877 20 10 GHCDHM COc1cccc(C(=O)NC2CCN(Cc3c([O-])ccc(F)c3Cl)CC2)c1 ZINC001237127443 1042054277 /nfs/dbraw/zinc/05/42/77/1042054277.db2.gz FXKGNXUCGVRWKH-UHFFFAOYSA-N -1 3 392.858 3.588 20 10 GHCDHM [O-]c1c(I)cccc1CN1CCC(c2ccccn2)CC1 ZINC001237781111 1042365322 /nfs/dbraw/zinc/36/53/22/1042365322.db2.gz SDDJDOKDFKBCFO-UHFFFAOYSA-N -1 3 394.256 3.771 20 10 GHCDHM C[C@H]1CCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])CC[C@H]1O ZINC001237784068 1042367028 /nfs/dbraw/zinc/36/70/28/1042367028.db2.gz PEUTYPBTNFUGOV-TVQRCGJNSA-N -1 3 382.220 3.766 20 10 GHCDHM CC(C)(O)[C@H]1CCCN1Cc1cc(Br)cc(C(F)(F)F)c1[O-] ZINC001237792096 1042372887 /nfs/dbraw/zinc/37/28/87/1042372887.db2.gz OLTKUITZCLZXIV-GFCCVEGCSA-N -1 3 382.220 3.909 20 10 GHCDHM [O-]c1c(Cl)cc(F)cc1CN1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001237811803 1042381600 /nfs/dbraw/zinc/38/16/00/1042381600.db2.gz CKAVVVTXSMLDKR-LIRRHRJNSA-N -1 3 396.821 3.531 20 10 GHCDHM O=C1Nc2ncccc2C2(CCN(Cc3cc(F)c(Cl)cc3[O-])CC2)O1 ZINC001237938018 1042428833 /nfs/dbraw/zinc/42/88/33/1042428833.db2.gz WUIMNYHLGVBIQG-UHFFFAOYSA-N -1 3 377.803 3.633 20 10 GHCDHM Cc1cccc([O-])c1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001294161748 1044503361 /nfs/dbraw/zinc/50/33/61/1044503361.db2.gz UCSXVRYLMMPTRF-CQSZACIVSA-N -1 3 376.403 3.701 20 10 GHCDHM O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc(O)c1[O-] ZINC001440613701 1058545360 /nfs/dbraw/zinc/54/53/60/1058545360.db2.gz UJZPWCFFJXNCHR-UHFFFAOYSA-N -1 3 385.423 3.881 20 10 GHCDHM COc1ccc(N2CCCN(C(=O)c3cc4sccc4c([O-])c3)CC2)cc1 ZINC001441926409 1058889886 /nfs/dbraw/zinc/88/98/86/1058889886.db2.gz BMLUOSGIESLLPD-UHFFFAOYSA-N -1 3 382.485 3.968 20 10 GHCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1c(Cl)ccnc1F ZINC001346450769 1061570542 /nfs/dbraw/zinc/57/05/42/1061570542.db2.gz NVKQOBNLDBFFIU-ZDUSSCGKSA-N -1 3 398.265 3.628 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc(=O)n(Cc3cccc(Cl)c3)c2)c([O-])c1O ZINC001456985220 1062939129 /nfs/dbraw/zinc/93/91/29/1062939129.db2.gz DYDZHIHOBGDWTK-UHFFFAOYSA-N -1 3 384.819 3.522 20 10 GHCDHM Cc1[nH]nc(NC(=O)c2cccc(O)c2[O-])c1-c1ccc(Br)cc1 ZINC001457417531 1063161489 /nfs/dbraw/zinc/16/14/89/1063161489.db2.gz PVTOGXZVWMCXLO-UHFFFAOYSA-N -1 3 388.221 3.811 20 10 GHCDHM CC(C)(C)c1nc2ccc(S(=O)(=O)NCc3c([O-])cccc3F)cc2s1 ZINC001464595154 1065100994 /nfs/dbraw/zinc/10/09/94/1065100994.db2.gz GOJSEPRWLYHRBB-UHFFFAOYSA-N -1 3 394.493 3.917 20 10 GHCDHM CCOC(=O)C1(CC(F)F)CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC001460936474 1069285206 /nfs/dbraw/zinc/28/52/06/1069285206.db2.gz NLEXYMPIDSILJI-UHFFFAOYSA-N -1 3 387.398 3.534 20 10 GHCDHM C[C@@H](c1ccccc1)N(C)C(=O)CN(C)Cc1c([O-])cccc1Br ZINC001474468723 1074420049 /nfs/dbraw/zinc/42/00/49/1074420049.db2.gz FREYYWKUANCTTN-AWEZNQCLSA-N -1 3 391.309 3.806 20 10 GHCDHM Cc1ccc(CNC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)s1 ZINC000737343335 598611031 /nfs/dbraw/zinc/61/10/31/598611031.db2.gz VHPYOSNJECUJQF-UHFFFAOYSA-N -1 3 392.488 3.574 20 10 GHCDHM Cc1cc(C(=O)N2CCc3ccc(C)cc32)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737376540 598612377 /nfs/dbraw/zinc/61/23/77/598612377.db2.gz HTMZVXZXLXWRQF-UHFFFAOYSA-N -1 3 398.470 3.786 20 10 GHCDHM Clc1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)c(-c2nnn[n-]2)c1 ZINC000737578260 598792381 /nfs/dbraw/zinc/79/23/81/598792381.db2.gz ZLOZFBAALWGXSK-UHFFFAOYSA-N -1 3 377.839 3.690 20 10 GHCDHM Clc1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)c(-c2nn[n-]n2)c1 ZINC000737578260 598792382 /nfs/dbraw/zinc/79/23/82/598792382.db2.gz ZLOZFBAALWGXSK-UHFFFAOYSA-N -1 3 377.839 3.690 20 10 GHCDHM Cc1cc(C)c(-c2nnn[n-]2)c(N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000822192007 599320544 /nfs/dbraw/zinc/32/05/44/599320544.db2.gz WRCGCDYDAWXJML-UHFFFAOYSA-N -1 3 377.496 3.505 20 10 GHCDHM Cc1cc(C)c(-c2nn[n-]n2)c(N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000822192007 599320546 /nfs/dbraw/zinc/32/05/46/599320546.db2.gz WRCGCDYDAWXJML-UHFFFAOYSA-N -1 3 377.496 3.505 20 10 GHCDHM c1[nH]c2ncccc2c1C1=CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000735399151 599401772 /nfs/dbraw/zinc/40/17/72/599401772.db2.gz IZIVNPOEMSJSHQ-UHFFFAOYSA-N -1 3 394.442 3.585 20 10 GHCDHM c1[nH]c2ncccc2c1C1=CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000735399151 599401775 /nfs/dbraw/zinc/40/17/75/599401775.db2.gz IZIVNPOEMSJSHQ-UHFFFAOYSA-N -1 3 394.442 3.585 20 10 GHCDHM C[C@@H]1CCCC[C@@H]1N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)SC1=S ZINC000820705258 606393625 /nfs/dbraw/zinc/39/36/25/606393625.db2.gz SKCMZKFNEQHKPO-LXLDMJRISA-N -1 3 391.547 3.708 20 10 GHCDHM Cc1cc(C(=O)N(C)[C@H](C)C2(C)CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167749 606582627 /nfs/dbraw/zinc/58/26/27/606582627.db2.gz HNIZCMDNMCXBQZ-OAHLLOKOSA-N -1 3 378.480 3.535 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCC(c3nnc4ccccn43)CC2)c1[O-] ZINC000176990585 835435274 /nfs/dbraw/zinc/43/52/74/835435274.db2.gz ZAQMNMLKIYUULU-UHFFFAOYSA-N -1 3 384.867 3.671 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN(C)Cc2ccccc2N2CCOCC2)c1[O-] ZINC000176992235 835435960 /nfs/dbraw/zinc/43/59/60/835435960.db2.gz WGGQSSLNTXZRAD-UHFFFAOYSA-N -1 3 388.895 3.717 20 10 GHCDHM COc1ccccc1NC(=O)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893961375 844276279 /nfs/dbraw/zinc/27/62/79/844276279.db2.gz FURJQDASDIPNKL-UHFFFAOYSA-N -1 3 376.403 3.530 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)c([O-])c1O ZINC000182145791 838987465 /nfs/dbraw/zinc/98/74/65/838987465.db2.gz SCDCULGIVCMFPJ-UHFFFAOYSA-N -1 3 382.460 3.839 20 10 GHCDHM COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000728939132 844460536 /nfs/dbraw/zinc/46/05/36/844460536.db2.gz YNNYCJIBEGVLFW-LBPRGKRZSA-N -1 3 394.431 3.755 20 10 GHCDHM C[C@@H]1CN(c2ccc(CNC(=O)c3cc([O-])ccc3Cl)cc2F)C[C@H](C)O1 ZINC000764384379 859426329 /nfs/dbraw/zinc/42/63/29/859426329.db2.gz YYECPFYBYFTUMB-BETUJISGSA-N -1 3 392.858 3.728 20 10 GHCDHM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@@H](CN3CCCCC3)C2)c1[O-] ZINC000742170158 867096672 /nfs/dbraw/zinc/09/66/72/867096672.db2.gz IOXJGGIGAPQHDK-SFHVURJKSA-N -1 3 394.515 3.637 20 10 GHCDHM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@@H](CN3CCCCC3)C2)c1[O-] ZINC000742170158 867096694 /nfs/dbraw/zinc/09/66/94/867096694.db2.gz IOXJGGIGAPQHDK-SFHVURJKSA-N -1 3 394.515 3.637 20 10 GHCDHM COc1cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c(F)c(F)c1F ZINC001193055850 870879623 /nfs/dbraw/zinc/87/96/23/870879623.db2.gz ZABFXSWOBSDCBS-UHFFFAOYSA-N -1 3 396.752 3.950 20 10 GHCDHM COc1nccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1Cl ZINC001195199615 872252293 /nfs/dbraw/zinc/25/22/93/872252293.db2.gz PERHRARSXCQCGU-UHFFFAOYSA-N -1 3 378.215 3.581 20 10 GHCDHM CC(C)(C)OC(=O)C[C@@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000770330792 874576462 /nfs/dbraw/zinc/57/64/62/874576462.db2.gz AMCZKKIJVSJZJK-LBPRGKRZSA-N -1 3 384.860 3.898 20 10 GHCDHM CC(=O)N1CCN(Cc2cccc(Br)c2[O-])CC12CCCCC2 ZINC000770292493 874581655 /nfs/dbraw/zinc/58/16/55/874581655.db2.gz LRVHOQXSPRSRLF-UHFFFAOYSA-N -1 3 381.314 3.522 20 10 GHCDHM CC(=O)c1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)s1 ZINC000771060810 875015860 /nfs/dbraw/zinc/01/58/60/875015860.db2.gz ZEWQNNJBWKPSFO-HNNXBMFYSA-N -1 3 392.908 3.704 20 10 GHCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@@H]2CSc3ccc(Br)cc32)c1 ZINC000785575938 876137943 /nfs/dbraw/zinc/13/79/43/876137943.db2.gz HECUWVQHDZFYQF-CYBMUJFWSA-N -1 3 381.251 4.000 20 10 GHCDHM C[C@@H](NCc1c(C(F)(F)F)cnn1C)c1cc(Br)cc(F)c1[O-] ZINC000858452602 883108814 /nfs/dbraw/zinc/10/88/14/883108814.db2.gz MLCIIDLPTMRUGJ-SSDOTTSWSA-N -1 3 396.182 3.897 20 10 GHCDHM C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1cccc(Br)c1[O-] ZINC000179940922 878227757 /nfs/dbraw/zinc/22/77/57/878227757.db2.gz SFBPLPYVCLZEGP-GFCCVEGCSA-N -1 3 398.322 3.751 20 10 GHCDHM CCN1CCN(c2cccc(NCc3cc(Cl)cc([N+](=O)[O-])c3[O-])c2)CC1 ZINC000789542984 879061753 /nfs/dbraw/zinc/06/17/53/879061753.db2.gz COELGAVTPQEDTB-UHFFFAOYSA-N -1 3 390.871 3.708 20 10 GHCDHM Cc1oc2c(ccc([O-])c2CN2C[C@@H]3COC[C@]3(C)C2)c(=O)c1-c1ccccc1 ZINC000853567728 879124207 /nfs/dbraw/zinc/12/42/07/879124207.db2.gz XAECQUVZLNFUMQ-OSPHWJPCSA-N -1 3 391.467 3.942 20 10 GHCDHM O=C(Nc1cc(-c2ccc(Br)s2)[nH]n1)c1cccc(O)c1[O-] ZINC000790566461 879825119 /nfs/dbraw/zinc/82/51/19/879825119.db2.gz ZJJCQELEGMFXHB-UHFFFAOYSA-N -1 3 380.223 3.564 20 10 GHCDHM Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c(Cl)n1 ZINC000761982465 885085465 /nfs/dbraw/zinc/08/54/65/885085465.db2.gz LRWNCEXSNSXMPN-OAHLLOKOSA-N -1 3 394.302 3.797 20 10 GHCDHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(NS(=O)(=O)CC)cc2)cc1 ZINC000121842378 885213204 /nfs/dbraw/zinc/21/32/04/885213204.db2.gz TZRDMAUVOKHXMR-AWEZNQCLSA-N -1 3 396.534 3.763 20 10 GHCDHM Cc1cc(C(=O)NCCCc2cc(=O)[nH][n-]2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000808257523 886165042 /nfs/dbraw/zinc/16/50/42/886165042.db2.gz DPJADVDHCPXWIP-UHFFFAOYSA-N -1 3 380.492 3.603 20 10 GHCDHM CC(C)CO[C@@H](C)c1noc(CN(C)Cc2c([O-])cccc2Br)n1 ZINC000862251659 886255478 /nfs/dbraw/zinc/25/54/78/886255478.db2.gz KLCZRUZCYNJZDF-LBPRGKRZSA-N -1 3 398.301 3.903 20 10 GHCDHM C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1cccc(O)c1[O-] ZINC000863368923 887063276 /nfs/dbraw/zinc/06/32/76/887063276.db2.gz OJHRNUFMLFCTCY-DGCLKSJQSA-N -1 3 376.250 3.879 20 10 GHCDHM C[C@@H]1CN(Cc2ccc(N3CCCCC3)c(Br)c2)CC[C@H]1C(=O)[O-] ZINC000863742430 887354717 /nfs/dbraw/zinc/35/47/17/887354717.db2.gz VYPANCPONHLLCP-GDBMZVCRSA-N -1 3 395.341 3.982 20 10 GHCDHM CN(C)c1cc(F)c(CN[C@@H](Cc2c(F)cccc2Cl)C(=O)[O-])cc1F ZINC000864510063 887815211 /nfs/dbraw/zinc/81/52/11/887815211.db2.gz RKQRWMLJSIMBEB-INIZCTEOSA-N -1 3 386.801 3.609 20 10 GHCDHM O=C1C=CC(=O)N1c1ccc(NCc2cc(Cl)c3cccnc3c2[O-])cc1 ZINC001168522645 891031826 /nfs/dbraw/zinc/03/18/26/891031826.db2.gz HGEWNNZFNWXOIS-UHFFFAOYSA-N -1 3 379.803 3.635 20 10 GHCDHM Cc1ccc(S(=O)(=O)C2CCN(Cc3c([O-])ccc4ccncc43)CC2)cc1 ZINC000872787829 891329889 /nfs/dbraw/zinc/32/98/89/891329889.db2.gz PWGRXDSUZUAAJG-UHFFFAOYSA-N -1 3 396.512 3.687 20 10 GHCDHM COc1c([O-])c(CN(C)Cc2ccc(OC(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000774836100 913695852 /nfs/dbraw/zinc/69/58/52/913695852.db2.gz PFULRUDNLYXLCR-UHFFFAOYSA-N -1 3 386.326 3.840 20 10 GHCDHM Cc1cc(-c2csc(NC(=O)c3cnn[n-]3)n2)c(C)n1-c1ccc(C)cc1 ZINC000918307267 893464898 /nfs/dbraw/zinc/46/48/98/893464898.db2.gz TZAQALWHFWVXNZ-UHFFFAOYSA-N -1 3 378.461 3.896 20 10 GHCDHM Cc1cc(-c2csc(NC(=O)c3c[n-]nn3)n2)c(C)n1-c1ccc(C)cc1 ZINC000918307267 893464907 /nfs/dbraw/zinc/46/49/07/893464907.db2.gz TZAQALWHFWVXNZ-UHFFFAOYSA-N -1 3 378.461 3.896 20 10 GHCDHM Cc1cc(-c2csc(NC(=O)c3cn[n-]n3)n2)c(C)n1-c1ccc(C)cc1 ZINC000918307267 893464914 /nfs/dbraw/zinc/46/49/14/893464914.db2.gz TZAQALWHFWVXNZ-UHFFFAOYSA-N -1 3 378.461 3.896 20 10 GHCDHM O=C(NC1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1)c1ccc(F)cc1 ZINC000816484824 894853268 /nfs/dbraw/zinc/85/32/68/894853268.db2.gz PTGXAQWZDYIPOI-UHFFFAOYSA-N -1 3 380.822 3.718 20 10 GHCDHM COc1ccccc1[C@@H](CO)NCc1cc(Cl)cc(Br)c1[O-] ZINC000883004704 897200164 /nfs/dbraw/zinc/20/01/64/897200164.db2.gz SFUOCIQJCYLXQT-CQSZACIVSA-N -1 3 386.673 3.640 20 10 GHCDHM Cc1cc(C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)c(C)n1-c1ccc(F)cc1 ZINC000824154788 899429784 /nfs/dbraw/zinc/42/97/84/899429784.db2.gz RQDQPYZGIMQSGM-UHFFFAOYSA-N -1 3 382.439 3.702 20 10 GHCDHM CC[C@@H]1[C@@H](CO)CCN1Cc1cc(Br)cc(Br)c1[O-] ZINC000824636229 899730305 /nfs/dbraw/zinc/73/03/05/899730305.db2.gz MRACAGXQKVWGFM-NOZJJQNGSA-N -1 3 393.119 3.510 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC(Cc3nc([C@H]4C[C@H]4C)no3)CC2)c1[O-] ZINC000844410077 900840351 /nfs/dbraw/zinc/84/03/51/900840351.db2.gz NBQFIWVAQJHRNO-PXAZEXFGSA-N -1 3 387.455 3.695 20 10 GHCDHM [O-]c1ccc(F)cc1CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000778992334 902626571 /nfs/dbraw/zinc/62/65/71/902626571.db2.gz IRXUBAHBZARVEH-UHFFFAOYSA-N -1 3 389.780 3.921 20 10 GHCDHM O=C(c1cccc(Cl)c1Cl)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000778995897 902675691 /nfs/dbraw/zinc/67/56/91/902675691.db2.gz FEXOLGQDKBRYGX-UHFFFAOYSA-N -1 3 383.250 3.796 20 10 GHCDHM CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(O)c2[O-])[C@@H](c2ccccc2)C1 ZINC001148212401 904007407 /nfs/dbraw/zinc/00/74/07/904007407.db2.gz YQPZZKAAQCDKNG-QGZVFWFLSA-N -1 3 398.459 3.532 20 10 GHCDHM O=C(Nc1cc2cc(Br)cc(F)c2cn1)c1cccc(O)c1[O-] ZINC001148212147 904007794 /nfs/dbraw/zinc/00/77/94/904007794.db2.gz OKSMTGOZIUFWRJ-UHFFFAOYSA-N -1 3 377.169 3.800 20 10 GHCDHM CC(C)[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)Nc1ccc2ccccc2c1 ZINC001148225635 904011375 /nfs/dbraw/zinc/01/13/75/904011375.db2.gz SPJYUZOAPBLLQZ-IBGZPJMESA-N -1 3 378.428 3.644 20 10 GHCDHM COC(=O)[C@H](NCc1cc(Br)ccc1[O-])c1cc(C)cc(C)c1 ZINC000779179665 905146457 /nfs/dbraw/zinc/14/64/57/905146457.db2.gz GBUNVMBSBYGCGL-QGZVFWFLSA-N -1 3 378.266 3.775 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)c1cc2c(ccc(F)c2Br)[nH]1 ZINC001178413039 909048750 /nfs/dbraw/zinc/04/87/50/909048750.db2.gz LIVLJMHXTLTXFM-UHFFFAOYSA-N -1 3 381.176 3.844 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC001178413443 909049652 /nfs/dbraw/zinc/04/96/52/909049652.db2.gz RVVGGVJFRPUPQG-OAQYLSRUSA-N -1 3 390.414 3.545 20 10 GHCDHM CCN(Cc1cc(Cl)cc(Br)c1[O-])C[C@H](O)C(F)(F)F ZINC001181072442 910545151 /nfs/dbraw/zinc/54/51/51/910545151.db2.gz HXOMGWMUPIHTRF-JTQLQIEISA-N -1 3 376.600 3.553 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCC(Oc3ncccc3F)CC2)c1[O-] ZINC000773980567 911212374 /nfs/dbraw/zinc/21/23/74/911212374.db2.gz FDWSXPUEDAJLAB-UHFFFAOYSA-N -1 3 378.831 3.826 20 10 GHCDHM O=C(c1ccsc1)N1CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000092149015 911423580 /nfs/dbraw/zinc/42/35/80/911423580.db2.gz FGYIXBSPBQBMAZ-UHFFFAOYSA-N -1 3 395.322 3.564 20 10 GHCDHM O=C(NC1CCN(Cc2cccc(Br)c2[O-])CC1)c1ccsc1 ZINC000092484984 911565087 /nfs/dbraw/zinc/56/50/87/911565087.db2.gz UYTVQWONYVHDHV-UHFFFAOYSA-N -1 3 395.322 3.611 20 10 GHCDHM O=S(=O)([N-]Cc1ccc(N2CCCCC2)cc1)c1ccc(Cl)cc1F ZINC000116038669 919491034 /nfs/dbraw/zinc/49/10/34/919491034.db2.gz FPRPUDUTWSPSQC-UHFFFAOYSA-N -1 3 382.888 3.948 20 10 GHCDHM CC(C)(C)OC(=O)NC[C@]1(C)CCN(Cc2cccc(Br)c2[O-])C1 ZINC000802655444 922311247 /nfs/dbraw/zinc/31/12/47/922311247.db2.gz ZNBDZYKCECADHQ-SFHVURJKSA-N -1 3 399.329 3.891 20 10 GHCDHM O=S1(=O)CCCN(Cc2c([O-])ccc3ccccc32)[C@H](c2ccccc2)C1 ZINC000902629125 922358296 /nfs/dbraw/zinc/35/82/96/922358296.db2.gz NXNZSFHYHJDVBW-NRFANRHFSA-N -1 3 381.497 3.907 20 10 GHCDHM COc1c([O-])c(CNCc2nc(-c3ccccc3F)cs2)ccc1[N+](=O)[O-] ZINC000368217027 922535436 /nfs/dbraw/zinc/53/54/36/922535436.db2.gz SISMCCDGPSFDBC-UHFFFAOYSA-N -1 3 389.408 3.861 20 10 GHCDHM CC(C)[C@@H](N[C@H](C)c1cc(Br)cc(Cl)c1[O-])c1nncn1C ZINC000903065615 922741635 /nfs/dbraw/zinc/74/16/35/922741635.db2.gz RIOQPTRDKXHDTH-NOZJJQNGSA-N -1 3 387.709 3.985 20 10 GHCDHM O=C1NCCN(Cc2c3c(ccc2[O-])oc2c3CCCC2)[C@@H]1c1ccccc1 ZINC000748795449 923833904 /nfs/dbraw/zinc/83/39/04/923833904.db2.gz QACZURAZANWGSL-JOCHJYFZSA-N -1 3 376.456 3.690 20 10 GHCDHM COC(=O)c1cnc([C@@H]2CCCN(Cc3cc(Cl)cc(F)c3[O-])C2)s1 ZINC000827941463 926347003 /nfs/dbraw/zinc/34/70/03/926347003.db2.gz FBZJCFYGYOQMGC-SNVBAGLBSA-N -1 3 384.860 3.807 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000750056787 927409396 /nfs/dbraw/zinc/40/93/96/927409396.db2.gz IUPDFNKPUNWFSH-OAHLLOKOSA-N -1 3 382.888 3.689 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cc3c(cc2SC)OCCO3)c1 ZINC000757599650 929739467 /nfs/dbraw/zinc/73/94/67/929739467.db2.gz YJZRZCKBFUMVEY-NSHDSACASA-N -1 3 375.446 3.845 20 10 GHCDHM C[C@H](NCc1nc2c(s1)COCC2)c1cc(Br)c(F)cc1[O-] ZINC000927122981 932421767 /nfs/dbraw/zinc/42/17/67/932421767.db2.gz YPNOVIUSEGOKIJ-QMMMGPOBSA-N -1 3 387.274 3.674 20 10 GHCDHM CCN(Cc1c(Cl)nc(OC)n1C)Cc1cc(Br)ccc1[O-] ZINC001116445911 933563238 /nfs/dbraw/zinc/56/32/38/933563238.db2.gz VOIKLFDNCLSCLB-UHFFFAOYSA-N -1 3 388.693 3.572 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000930935785 934306668 /nfs/dbraw/zinc/30/66/68/934306668.db2.gz VCKPSVYEEJLHSZ-UHFFFAOYSA-N -1 3 383.423 3.542 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000930954337 934314219 /nfs/dbraw/zinc/31/42/19/934314219.db2.gz UIFLDSMIVVGIRX-UHFFFAOYSA-N -1 3 383.345 3.731 20 10 GHCDHM COc1ccc(N(Cc2ccco2)Cc2ccccc2-c2nnn[n-]2)cc1F ZINC000737099638 944959748 /nfs/dbraw/zinc/95/97/48/944959748.db2.gz OMYHGURZYHJYSE-UHFFFAOYSA-N -1 3 379.395 3.814 20 10 GHCDHM COc1ccc(N(Cc2ccco2)Cc2ccccc2-c2nn[n-]n2)cc1F ZINC000737099638 944959756 /nfs/dbraw/zinc/95/97/56/944959756.db2.gz OMYHGURZYHJYSE-UHFFFAOYSA-N -1 3 379.395 3.814 20 10 GHCDHM C[C@@H]([NH2+][C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593220172 994309241 /nfs/dbraw/zinc/30/92/41/994309241.db2.gz QZJMEPJRILDBRI-DYVFJYSZSA-N -1 3 390.480 3.531 20 10 GHCDHM COc1cc2[nH]c(CCC[NH2+][C@H](C)c3cc(C(=O)[O-])ccc3[O-])cc2c(OC)c1 ZINC001599448783 998054998 /nfs/dbraw/zinc/05/49/98/998054998.db2.gz GWLPRBUQRUNCFN-CYBMUJFWSA-N -1 3 398.459 3.872 20 10 GHCDHM O=C(N[C@@H](c1cc(F)cc(Br)c1)C1CC1)c1cccc(O)c1[O-] ZINC001155093558 1032411534 /nfs/dbraw/zinc/41/15/34/1032411534.db2.gz SIZNDIBAMXXTAN-OAHLLOKOSA-N -1 3 380.213 3.881 20 10 GHCDHM O=C1N(CCC(F)(F)F)CC[C@]12CCCN2Cc1cccc(Cl)c1[O-] ZINC001277232659 1032520729 /nfs/dbraw/zinc/52/07/29/1032520729.db2.gz WPFPKPQFDPQPQC-MRXNPFEDSA-N -1 3 376.806 3.565 20 10 GHCDHM C[C@@H]1c2ncc(COc3cccnc3)n2CCN1Cc1c([O-])cccc1Cl ZINC001140345276 1021459806 /nfs/dbraw/zinc/45/98/06/1021459806.db2.gz QYNBTIYUKXVTQK-CQSZACIVSA-N -1 3 384.867 3.793 20 10 GHCDHM [O-]c1cc(Cl)ccc1CN1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001140465143 1021758237 /nfs/dbraw/zinc/75/82/37/1021758237.db2.gz JLEFIFMMHOFQMF-SIXWZSSISA-N -1 3 394.924 3.698 20 10 GHCDHM CSCC[C@@H](N[C@H](C)c1cc(F)cc(F)c1[O-])c1nnc2ccccn21 ZINC000756364955 1023608149 /nfs/dbraw/zinc/60/81/49/1023608149.db2.gz MFGBZXYEGGXICO-IAQYHMDHSA-N -1 3 378.448 3.858 20 10 GHCDHM CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(F)(F)F)CN(Cc2cccc(F)c2[O-])C1 ZINC001138128462 1024177343 /nfs/dbraw/zinc/17/73/43/1024177343.db2.gz LOFWDWDSGOQAHD-OLZOCXBDSA-N -1 3 392.393 3.809 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cc(=O)c2ccc(F)cc2o1 ZINC001156831729 1033264092 /nfs/dbraw/zinc/26/40/92/1033264092.db2.gz CNXHVPAJNLDFJE-UHFFFAOYSA-N -1 3 398.777 3.769 20 10 GHCDHM Cc1cc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c(C)n1-c1cccc(Cl)c1 ZINC001164322570 1026484686 /nfs/dbraw/zinc/48/46/86/1026484686.db2.gz PSVZSOAYGXDIPR-CQSZACIVSA-N -1 3 384.867 3.806 20 10 GHCDHM CC(C)c1nccc([C@@H]2C[C@@H]3CCN(Cc4c(F)ccc(F)c4[O-])C[C@H]3O2)n1 ZINC001139681602 1026535587 /nfs/dbraw/zinc/53/55/87/1026535587.db2.gz USMVEOSBSQWEPR-FASAQXTFSA-N -1 3 389.446 3.936 20 10 GHCDHM O=C(c1ccsc1)N1C[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]2C1 ZINC001203577246 1027444761 /nfs/dbraw/zinc/44/47/61/1027444761.db2.gz AUXHJWCVCNLYRR-KBPBESRZSA-N -1 3 397.327 3.965 20 10 GHCDHM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cc(Br)ccc1[O-] ZINC001203639940 1027499238 /nfs/dbraw/zinc/49/92/38/1027499238.db2.gz NRIBWBMIHHWERM-GASCZTMLSA-N -1 3 397.313 3.738 20 10 GHCDHM CCOC[C@H]1CN(Cc2cc(Br)ccc2[O-])Cc2c1cnn2CC ZINC001203640331 1027499407 /nfs/dbraw/zinc/49/94/07/1027499407.db2.gz XAVPQAJXJRBNHC-CQSZACIVSA-N -1 3 394.313 3.507 20 10 GHCDHM CCOC[C@H]1CN(Cc2cc(Cl)ccc2[O-])Cc2nn(CC3CC3)cc21 ZINC001203656504 1027512606 /nfs/dbraw/zinc/51/26/06/1027512606.db2.gz QFFPFQRSUCFYIN-MRXNPFEDSA-N -1 3 375.900 3.788 20 10 GHCDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001142530710 1029034564 /nfs/dbraw/zinc/03/45/64/1029034564.db2.gz KWAIBEGEHLIUOR-LLVKDONJSA-N -1 3 389.324 3.523 20 10 GHCDHM Cc1cc(Br)c(F)cc1-c1noc(-c2ccc(O)c(O)c2[O-])n1 ZINC001215325567 1029155159 /nfs/dbraw/zinc/15/51/59/1029155159.db2.gz ZQGGKGNHHDTHAE-UHFFFAOYSA-N -1 3 381.157 3.730 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC001216896933 1029986075 /nfs/dbraw/zinc/98/60/75/1029986075.db2.gz BDSFUYXNTQNWDR-UHFFFAOYSA-N -1 3 376.281 3.933 20 10 GHCDHM Cc1cc(C)n(-c2ccc(-c3noc(-c4ccc([O-])c(O)c4Cl)n3)cn2)n1 ZINC001216953222 1030026765 /nfs/dbraw/zinc/02/67/65/1030026765.db2.gz DVWCDOSJAGTQSM-UHFFFAOYSA-N -1 3 383.795 3.666 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccc2oc(=O)ccc2c1 ZINC001151006190 1030742612 /nfs/dbraw/zinc/74/26/12/1030742612.db2.gz JAJJUZQVJBQVNL-UHFFFAOYSA-N -1 3 380.787 3.630 20 10 GHCDHM Cn1cnc2c1nc(Cl)nc2NCc1cc(Cl)c2cccnc2c1[O-] ZINC001157724688 1033739916 /nfs/dbraw/zinc/73/99/16/1033739916.db2.gz SNJCJAFCQKEUSE-UHFFFAOYSA-N -1 3 375.219 3.536 20 10 GHCDHM CCC[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231569376 1034718391 /nfs/dbraw/zinc/71/83/91/1034718391.db2.gz XGVDMZKMRBIRHU-HNNXBMFYSA-N -1 3 392.496 3.559 20 10 GHCDHM CCC[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231569376 1034718402 /nfs/dbraw/zinc/71/84/02/1034718402.db2.gz XGVDMZKMRBIRHU-HNNXBMFYSA-N -1 3 392.496 3.559 20 10 GHCDHM CCN(CC)c1ccnc([C@H]2COCCN2Cc2cc(Cl)c(C)cc2[O-])n1 ZINC001231868310 1034955378 /nfs/dbraw/zinc/95/53/78/1034955378.db2.gz AAIAYERISUMXIV-QGZVFWFLSA-N -1 3 390.915 3.564 20 10 GHCDHM COc1ccc(CN2CCC[C@H](C)[C@H]2C)c([O-])c1I ZINC001248489003 1035911034 /nfs/dbraw/zinc/91/10/34/1035911034.db2.gz CDUFXGXXDQANPW-WDEREUQCSA-N -1 3 375.250 3.626 20 10 GHCDHM CC[C@@H]1CCCCN1Cc1ccc(OC)c(I)c1[O-] ZINC001248494127 1035913072 /nfs/dbraw/zinc/91/30/72/1035913072.db2.gz JFOLDZIUAYCTHV-GFCCVEGCSA-N -1 3 375.250 3.770 20 10 GHCDHM CCOC(=O)[C@H](Cc1ccccc1)N(C)Cc1ccc(Br)cc1[O-] ZINC001462135636 1070023603 /nfs/dbraw/zinc/02/36/03/1070023603.db2.gz FFDWCLCIGCQSKT-KRWDZBQOSA-N -1 3 392.293 3.761 20 10 GHCDHM COc1cc([O-])c(CN2CCN(c3ccc(F)cc3)CC2)cc1Br ZINC001233135406 1038918023 /nfs/dbraw/zinc/91/80/23/1038918023.db2.gz RZTRIGGSLOEFOA-UHFFFAOYSA-N -1 3 395.272 3.625 20 10 GHCDHM COC(=O)c1cc(Br)c([O-])c(CN(C)Cc2cccc(OC)c2)c1 ZINC001233307853 1039098549 /nfs/dbraw/zinc/09/85/49/1039098549.db2.gz SPWGPBUBMDOWDB-UHFFFAOYSA-N -1 3 394.265 3.582 20 10 GHCDHM [O-]c1c(CN2CCN(c3cccc4c3OCCO4)CC2)cccc1C(F)(F)F ZINC001233418510 1039280295 /nfs/dbraw/zinc/28/02/95/1039280295.db2.gz KDPMXSVKUVKHFT-UHFFFAOYSA-N -1 3 394.393 3.504 20 10 GHCDHM CC(C)COC[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2[O-])Cc2ncn(C)c21 ZINC001233452696 1039337744 /nfs/dbraw/zinc/33/77/44/1039337744.db2.gz HHIGSTGDGFBFAN-HNNXBMFYSA-N -1 3 397.441 3.917 20 10 GHCDHM O=C1CC[C@@H]2[C@@H](CCN2Cc2cc(Cl)c(Cl)cc2[O-])N1CC(F)(F)F ZINC001277829463 1039804722 /nfs/dbraw/zinc/80/47/22/1039804722.db2.gz DBUACDVYBHERRO-CHWSQXEVSA-N -1 3 397.224 3.827 20 10 GHCDHM CC[C@@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1ccc(OC)c(Cl)c1[O-] ZINC001277833329 1039869740 /nfs/dbraw/zinc/86/97/40/1039869740.db2.gz HYWYJCYEMPBWDS-JLTOFOAXSA-N -1 3 380.916 3.810 20 10 GHCDHM [O-]c1ccc(-c2nnc([C@@H]3C[C@H]3c3ccccc3)o2)cc1CN1CCOCC1 ZINC001254705290 1040464382 /nfs/dbraw/zinc/46/43/82/1040464382.db2.gz DCWIYUQFXDEWLK-RBUKOAKNSA-N -1 3 377.444 3.546 20 10 GHCDHM CN1CCN(Cc2cc(Br)cc(F)c2[O-])[C@H](c2ccccc2)C1 ZINC001235057758 1040547304 /nfs/dbraw/zinc/54/73/04/1040547304.db2.gz SJICYZYTTCRLCF-KRWDZBQOSA-N -1 3 379.273 3.783 20 10 GHCDHM CC(C)C(=O)N1CCC[C@@]12CCN(Cc1cc(F)cc(Br)c1[O-])C2 ZINC001235301860 1040774169 /nfs/dbraw/zinc/77/41/69/1040774169.db2.gz KLIFGQZQMUFZPR-SFHVURJKSA-N -1 3 399.304 3.517 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC(Oc3ccncc3)CC2)c1 ZINC001236662701 1041811055 /nfs/dbraw/zinc/81/10/55/1041811055.db2.gz GWLZHZWURCYFMI-UHFFFAOYSA-N -1 3 377.282 3.902 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCN(Cc3ccccc3F)CC2)c1 ZINC001236665584 1041813751 /nfs/dbraw/zinc/81/37/51/1041813751.db2.gz KVRYVFRKMDTCQM-UHFFFAOYSA-N -1 3 393.300 3.920 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN(C)C2CN(C(=O)OC(C)(C)C)C2)c1 ZINC001236669441 1041816871 /nfs/dbraw/zinc/81/68/71/1041816871.db2.gz MDRLBGFVPBVQEU-UHFFFAOYSA-N -1 3 385.302 3.514 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC(NC(=O)C(C)(C)C)CC2)c1 ZINC001236670730 1041818581 /nfs/dbraw/zinc/81/85/81/1041818581.db2.gz PNYAMKISHPRPJE-UHFFFAOYSA-N -1 3 383.330 3.590 20 10 GHCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCC2(CC(N3CCCC3)=NO2)CC1 ZINC001236795538 1041900468 /nfs/dbraw/zinc/90/04/68/1041900468.db2.gz GBCWUSJWAZQTRE-UHFFFAOYSA-N -1 3 384.307 3.863 20 10 GHCDHM COc1ccc(CN2CCC(N3C(=O)Cc4ccccc43)CC2)c([O-])c1Cl ZINC001236813140 1041912471 /nfs/dbraw/zinc/91/24/71/1041912471.db2.gz KDTBHIBMRHESLY-UHFFFAOYSA-N -1 3 386.879 3.608 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2c([O-])ccc(F)c2Cl)C1)c1ccc(F)cc1 ZINC001237126073 1042053377 /nfs/dbraw/zinc/05/33/77/1042053377.db2.gz FNFPROBBNJCTEU-CQSZACIVSA-N -1 3 380.822 3.718 20 10 GHCDHM O=C1Nc2ccccc2CN1[C@H]1CCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237127971 1042055107 /nfs/dbraw/zinc/05/51/07/1042055107.db2.gz KXPCYNUBGIMCQC-ZDUSSCGKSA-N -1 3 375.831 3.807 20 10 GHCDHM [O-]c1c(Cl)cc(F)cc1CN1CCC(n2cc(Br)cn2)CC1 ZINC001237799374 1042376528 /nfs/dbraw/zinc/37/65/28/1042376528.db2.gz ARVXXMRORSKKOR-UHFFFAOYSA-N -1 3 388.668 3.981 20 10 GHCDHM O=S(=O)(NCc1cc(Cl)c2cccnc2c1[O-])c1cnc2ccccc2c1 ZINC001260013160 1045355634 /nfs/dbraw/zinc/35/56/34/1045355634.db2.gz LOZXNMRGTDYQTE-UHFFFAOYSA-N -1 3 399.859 3.621 20 10 GHCDHM C[C@@H]1CCCN(c2nnc(-c3sc4ncccc4c3[O-])n2C[C@@H]2CCOC2)C1 ZINC001263532283 1046926668 /nfs/dbraw/zinc/92/66/68/1046926668.db2.gz LLRGYLCEAIHRGE-KGLIPLIRSA-N -1 3 399.520 3.533 20 10 GHCDHM COc1ccc(CN2C[C@H]3CC[C@@H](C2)N3Cc2scnc2C)c([O-])c1Cl ZINC001279665921 1047906161 /nfs/dbraw/zinc/90/61/61/1047906161.db2.gz ULICCESZCWPONA-GASCZTMLSA-N -1 3 393.940 3.668 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2ccc(CN3CCOCC3)cc2)c1 ZINC001308308801 1049945045 /nfs/dbraw/zinc/94/50/45/1049945045.db2.gz GLMNZJVBRPZWQA-UHFFFAOYSA-N -1 3 391.309 3.907 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2c[nH]c(C(=O)N3CCCC3)c2)c1 ZINC001308673644 1050054969 /nfs/dbraw/zinc/05/49/69/1050054969.db2.gz AFCNVMWNZJQIDA-UHFFFAOYSA-N -1 3 378.270 3.639 20 10 GHCDHM Cc1cc([O-])c(CN2CCn3c(Cc4ccccc4F)nnc3C2)cc1Cl ZINC001328209389 1050442463 /nfs/dbraw/zinc/44/24/63/1050442463.db2.gz MTJDUQCCRZKQMY-UHFFFAOYSA-N -1 3 386.858 3.691 20 10 GHCDHM COC1CCN(c2nnc(-c3sc4ncccc4c3[O-])n2CC(C)C)CC1 ZINC001344761896 1054726673 /nfs/dbraw/zinc/72/66/73/1054726673.db2.gz CNGLJWGOJTWPNM-UHFFFAOYSA-N -1 3 387.509 3.532 20 10 GHCDHM CS[C@H]1CCCCN(c2nnc(-c3sc4ncccc4c3[O-])n2C)C1 ZINC001338588186 1058661318 /nfs/dbraw/zinc/66/13/18/1058661318.db2.gz IEKMKBRWZDGWTC-NSHDSACASA-N -1 3 375.523 3.519 20 10 GHCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@H](OC2CCC2)CC1 ZINC001340207890 1059764842 /nfs/dbraw/zinc/76/48/42/1059764842.db2.gz CYDFSNTUCJZWDG-AWEZNQCLSA-N -1 3 399.520 3.725 20 10 GHCDHM CN(C[C@@H]1CCCOC1)c1nnc(-c2sc3ncccc3c2[O-])n1CC1CC1 ZINC001348259457 1062969749 /nfs/dbraw/zinc/96/97/49/1062969749.db2.gz CKICOUSXTKKFLJ-AWEZNQCLSA-N -1 3 399.520 3.533 20 10 GHCDHM O=C1N[C@H](c2ccc(Br)cc2[O-])Nc2ccc(Br)cc21 ZINC001349632395 1063838735 /nfs/dbraw/zinc/83/87/35/1063838735.db2.gz ILCSYQCKUBXSOO-CYBMUJFWSA-N -1 3 398.054 3.771 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](C)[C@@H]2CNC(=O)OC(C)(C)C)c1[O-] ZINC001459608284 1064141212 /nfs/dbraw/zinc/14/12/12/1064141212.db2.gz KYQCDYFLRAQAMU-ACJLOTCBSA-N -1 3 394.487 3.859 20 10 GHCDHM O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)NCc1c([O-])cccc1F ZINC001467570367 1067364550 /nfs/dbraw/zinc/36/45/50/1067364550.db2.gz YUNHIWPLILYYCC-UHFFFAOYSA-N -1 3 385.370 3.857 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC001468918769 1067927406 /nfs/dbraw/zinc/92/74/06/1067927406.db2.gz GXLSWQLOKSEFQE-ZDUSSCGKSA-N -1 3 377.847 3.653 20 10 GHCDHM Cc1cc(CC(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)c(C)n1-c1ccccc1 ZINC001469326795 1068104799 /nfs/dbraw/zinc/10/47/99/1068104799.db2.gz SOTGNFRQGNVUSI-UHFFFAOYSA-N -1 3 394.475 3.954 20 10 GHCDHM Cc1cc(CC(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)c(C)n1-c1ccccc1 ZINC001469326795 1068104805 /nfs/dbraw/zinc/10/48/05/1068104805.db2.gz SOTGNFRQGNVUSI-UHFFFAOYSA-N -1 3 394.475 3.954 20 10 GHCDHM COC(=O)CCN(Cc1ccccc1)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC001460609503 1069026756 /nfs/dbraw/zinc/02/67/56/1069026756.db2.gz NKMWXVMXJNGNIK-UHFFFAOYSA-N -1 3 375.852 3.814 20 10 GHCDHM Cc1ccc(-n2ccnc2SCC(=O)NCc2c([O-])cccc2F)cc1C ZINC001471974374 1073287435 /nfs/dbraw/zinc/28/74/35/1073287435.db2.gz AYODARPDKFHINI-UHFFFAOYSA-N -1 3 385.464 3.742 20 10 GHCDHM [O-]c1c(Br)cc(Cl)cc1CN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC001474427855 1074401488 /nfs/dbraw/zinc/40/14/88/1074401488.db2.gz MYEJRKRWGWTYLS-CQSZACIVSA-N -1 3 393.672 3.805 20 10 GHCDHM [O-]c1cc(Br)ccc1CN1CCN(c2ccc(F)cc2F)CC1 ZINC001474670834 1074507199 /nfs/dbraw/zinc/50/71/99/1074507199.db2.gz LRXGLLUGZAADIP-UHFFFAOYSA-N -1 3 383.236 3.755 20 10 GHCDHM Cc1cc(C)c(-c2nnn[n-]2)c(NCc2ccc(N3CCC(C)CC3)cc2)n1 ZINC000737240828 598503746 /nfs/dbraw/zinc/50/37/46/598503746.db2.gz MOBXQYGROWQWQK-UHFFFAOYSA-N -1 3 377.496 3.727 20 10 GHCDHM Cc1cc(C)c(-c2nn[n-]n2)c(NCc2ccc(N3CCC(C)CC3)cc2)n1 ZINC000737240828 598503747 /nfs/dbraw/zinc/50/37/47/598503747.db2.gz MOBXQYGROWQWQK-UHFFFAOYSA-N -1 3 377.496 3.727 20 10 GHCDHM CN(C)c1ccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1F ZINC000736779612 598578814 /nfs/dbraw/zinc/57/88/14/598578814.db2.gz KNSAQVWDZDVQHZ-UHFFFAOYSA-N -1 3 380.349 3.703 20 10 GHCDHM CN(C)c1ccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1F ZINC000736779612 598578816 /nfs/dbraw/zinc/57/88/16/598578816.db2.gz KNSAQVWDZDVQHZ-UHFFFAOYSA-N -1 3 380.349 3.703 20 10 GHCDHM COc1cccc(NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)c1 ZINC000737137739 598609256 /nfs/dbraw/zinc/60/92/56/598609256.db2.gz DIMRUDHGGNITNZ-UHFFFAOYSA-N -1 3 388.431 3.535 20 10 GHCDHM Cc1ccsc1CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737443382 598610891 /nfs/dbraw/zinc/61/08/91/598610891.db2.gz UYFBERUNPJPNMA-UHFFFAOYSA-N -1 3 392.488 3.574 20 10 GHCDHM CC(C)N1CCN(c2cccc(NC(=O)c3cccc(NC(=O)[O-])c3)c2)CC1 ZINC000833500574 604470966 /nfs/dbraw/zinc/47/09/66/604470966.db2.gz ZUEGAJVQFFPULK-UHFFFAOYSA-N -1 3 382.464 3.559 20 10 GHCDHM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)s3)SC2=S)c(C)c1 ZINC000822241321 606393753 /nfs/dbraw/zinc/39/37/53/606393753.db2.gz RRPSIBSCLSQUHL-RIYZIHGNSA-N -1 3 399.526 3.951 20 10 GHCDHM CN(Cc1cn(C)nc1C(F)(F)F)Cc1cccc(Br)c1[O-] ZINC000180792374 837554722 /nfs/dbraw/zinc/55/47/22/837554722.db2.gz HYQHHEUKNRSGQV-UHFFFAOYSA-N -1 3 378.192 3.539 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCC(NC(=O)OC(C)(C)C)CC2)c1[O-] ZINC000177257738 836198366 /nfs/dbraw/zinc/19/83/66/836198366.db2.gz MOPYLGAJMAWVFG-UHFFFAOYSA-N -1 3 382.888 3.737 20 10 GHCDHM Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000181837024 838905698 /nfs/dbraw/zinc/90/56/98/838905698.db2.gz MEAMRNJFYPXVCU-UHFFFAOYSA-N -1 3 392.459 3.952 20 10 GHCDHM N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cccc(O)c2[O-])cc1 ZINC000188221699 840899525 /nfs/dbraw/zinc/89/95/25/840899525.db2.gz UCXTXJCTDZXSNI-UHFFFAOYSA-N -1 3 376.387 3.951 20 10 GHCDHM CC(C)(C)OC(=O)N1CCc2nc(CNCc3c([O-])cccc3F)sc2C1 ZINC000896637585 861347065 /nfs/dbraw/zinc/34/70/65/861347065.db2.gz KRAKURBLXQYLIA-UHFFFAOYSA-N -1 3 393.484 3.571 20 10 GHCDHM COc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)c(Br)c1[O-] ZINC000761013874 857383837 /nfs/dbraw/zinc/38/38/37/857383837.db2.gz CCUUCWXNFCFRRX-FMIVXFBMSA-N -1 3 397.294 3.620 20 10 GHCDHM C[C@H]1CN(c2ccc(CNC(=O)c3cc([O-])ccc3Cl)cc2F)C[C@H](C)O1 ZINC000764384382 859426514 /nfs/dbraw/zinc/42/65/14/859426514.db2.gz YYECPFYBYFTUMB-STQMWFEESA-N -1 3 392.858 3.728 20 10 GHCDHM CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(F)cc2[O-])C1 ZINC000444327701 864390188 /nfs/dbraw/zinc/39/01/88/864390188.db2.gz GQMROXYCEDOLIA-UHFFFAOYSA-N -1 3 381.451 3.891 20 10 GHCDHM CCN(CC(=O)Nc1cccnc1Cl)Cc1cc(Br)ccc1[O-] ZINC000173993051 865277971 /nfs/dbraw/zinc/27/79/71/865277971.db2.gz GWKSPAINFIKXDU-UHFFFAOYSA-N -1 3 398.688 3.664 20 10 GHCDHM O=C1CN(Cc2ccc(OCc3ccccc3)cc2)[C@@H](c2cc(F)ccc2[O-])N1 ZINC000920405693 882083398 /nfs/dbraw/zinc/08/33/98/882083398.db2.gz FKHLZYRFQGRZGI-QHCPKHFHSA-N -1 3 392.430 3.741 20 10 GHCDHM O=C(Nc1ccc(O)cc1)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775669386 872583682 /nfs/dbraw/zinc/58/36/82/872583682.db2.gz XRMLCHIYDIUOIL-UHFFFAOYSA-N -1 3 378.831 3.741 20 10 GHCDHM C[C@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000768817633 873601812 /nfs/dbraw/zinc/60/18/12/873601812.db2.gz RZIYBBYUQHHDNK-OAHLLOKOSA-N -1 3 398.894 3.974 20 10 GHCDHM CC(=O)N1CCc2c1cccc2NCc1cc(C)cc(Br)c1[O-] ZINC000768945806 873671495 /nfs/dbraw/zinc/67/14/95/873671495.db2.gz KHHZLFDPKJYRAK-UHFFFAOYSA-N -1 3 375.266 3.984 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c([O-])c1O ZINC000770469532 874702885 /nfs/dbraw/zinc/70/28/85/874702885.db2.gz NMNYNDVOECQCJK-UHFFFAOYSA-N -1 3 381.388 3.573 20 10 GHCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1scnc1Cl ZINC000771066272 875018663 /nfs/dbraw/zinc/01/86/63/875018663.db2.gz QKSCAPAVIYYOLH-LBPRGKRZSA-N -1 3 386.304 3.550 20 10 GHCDHM CCN(Cc1cc(Br)ccc1[O-])[C@@H](C(=O)OC)c1ccsc1 ZINC000789295812 878810090 /nfs/dbraw/zinc/81/00/90/878810090.db2.gz YSQYNLNWCSHUJJ-OAHLLOKOSA-N -1 3 384.295 3.952 20 10 GHCDHM CCCCOc1ccc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)c([O-])c1 ZINC000789742248 879257203 /nfs/dbraw/zinc/25/72/03/879257203.db2.gz OGDBZNSZUXVDRF-UHFFFAOYSA-N -1 3 398.503 3.932 20 10 GHCDHM CC1CCN([C@@H](CNC(=O)c2c(F)ccc(O)c2[O-])c2cccs2)CC1 ZINC000789943972 879358880 /nfs/dbraw/zinc/35/88/80/879358880.db2.gz KTVCNLRWXNKZND-AWEZNQCLSA-N -1 3 378.469 3.501 20 10 GHCDHM COc1cccc(Cn2c(NC(=O)c3cccc(O)c3[O-])nc3ccccc32)c1 ZINC000790640736 879878706 /nfs/dbraw/zinc/87/87/06/879878706.db2.gz RIQYZTLECOOBQW-UHFFFAOYSA-N -1 3 389.411 3.757 20 10 GHCDHM O=C1[C@H](NCc2c([O-])ccc(Cl)c2F)CCN1CCCc1ccccc1 ZINC000790972017 880134757 /nfs/dbraw/zinc/13/47/57/880134757.db2.gz BMRAJZJWJCFBQH-QGZVFWFLSA-N -1 3 376.859 3.508 20 10 GHCDHM O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)[N-]OCC1CCC1 ZINC000856346392 881156127 /nfs/dbraw/zinc/15/61/27/881156127.db2.gz YIAQOJIOYVUWMH-UVTDQMKNSA-N -1 3 396.559 3.577 20 10 GHCDHM O=C(NCCN1CCc2ccccc2C1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000804891435 883456582 /nfs/dbraw/zinc/45/65/82/883456582.db2.gz BJHRHVFENSBHRM-UHFFFAOYSA-N -1 3 394.302 3.557 20 10 GHCDHM CN(C)c1ccc(CN[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)c(C(F)(F)F)c1 ZINC000859817700 884086921 /nfs/dbraw/zinc/08/69/21/884086921.db2.gz RXDAVTGUYZMIAK-SFHVURJKSA-N -1 3 394.393 3.622 20 10 GHCDHM C[C@H]1CN(Cc2ccc(N3CCCCC3)c(Br)c2)CC[C@H]1C(=O)[O-] ZINC000863742431 887354328 /nfs/dbraw/zinc/35/43/28/887354328.db2.gz VYPANCPONHLLCP-GOEBONIOSA-N -1 3 395.341 3.982 20 10 GHCDHM C[C@@H]1CN(Cc2ccc(N3CCCCC3)c(Br)c2)CC[C@@H]1C(=O)[O-] ZINC000863742433 887354950 /nfs/dbraw/zinc/35/49/50/887354950.db2.gz VYPANCPONHLLCP-ZBFHGGJFSA-N -1 3 395.341 3.982 20 10 GHCDHM CCCNC(=O)OC[C@@H]1CCCCN1Cc1cccc(Br)c1[O-] ZINC000809725819 887710126 /nfs/dbraw/zinc/71/01/26/887710126.db2.gz BQIRFZWAVCIDKM-AWEZNQCLSA-N -1 3 385.302 3.645 20 10 GHCDHM [O-]c1c(CNc2nc(C(F)(F)F)nc3nc[nH]c32)cc(Cl)c2cccnc12 ZINC001168522469 890750974 /nfs/dbraw/zinc/75/09/74/890750974.db2.gz SDZSWTBWOPWCJI-UHFFFAOYSA-N -1 3 394.744 3.843 20 10 GHCDHM COc1cc(CN(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])ccc1OC(F)F ZINC000774823197 913653121 /nfs/dbraw/zinc/65/31/21/913653121.db2.gz QHLMNRSOENKUDG-UHFFFAOYSA-N -1 3 398.362 3.551 20 10 GHCDHM COc1c([O-])c(CN2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000774904752 913996008 /nfs/dbraw/zinc/99/60/08/913996008.db2.gz VRNPFHFZNAWZKT-CQSZACIVSA-N -1 3 388.395 3.543 20 10 GHCDHM CCc1ccccc1NC(=O)CN(C)Cc1ccc(Br)cc1[O-] ZINC000824521366 899656893 /nfs/dbraw/zinc/65/68/93/899656893.db2.gz DROXAQHLJPIJIT-UHFFFAOYSA-N -1 3 377.282 3.788 20 10 GHCDHM Cc1cc([O-])c(CN2CCn3c(CCc4ccccc4)nnc3C2)cc1Cl ZINC000824862383 899843733 /nfs/dbraw/zinc/84/37/33/899843733.db2.gz HVYPXJOEYUJHBO-UHFFFAOYSA-N -1 3 382.895 3.747 20 10 GHCDHM COc1ccc(CN(C)Cc2cc(Br)c(F)cc2[O-])c(OC)c1 ZINC001144306844 901687061 /nfs/dbraw/zinc/68/70/61/901687061.db2.gz TWYIRQDLRXLXKU-UHFFFAOYSA-N -1 3 384.245 3.943 20 10 GHCDHM CC(=O)N(C(C)C)C1CCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144308127 901700988 /nfs/dbraw/zinc/70/09/88/901700988.db2.gz QMDFRHNNTVOBHJ-UHFFFAOYSA-N -1 3 387.293 3.515 20 10 GHCDHM Cc1cc(C(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)c(C)n1-c1cccc(C(C)C)c1 ZINC001148962997 904259441 /nfs/dbraw/zinc/25/94/41/904259441.db2.gz ZVZMTPNGMFYYHJ-UHFFFAOYSA-N -1 3 380.448 3.979 20 10 GHCDHM NC(=O)Cc1cccc(C(=O)c2ccccc2)c1Nc1c(F)cc([O-])cc1F ZINC001175097709 907378955 /nfs/dbraw/zinc/37/89/55/907378955.db2.gz VHKMFISXSADADH-UHFFFAOYSA-N -1 3 382.366 3.673 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CCc2c(Cl)ccc(Br)c2C1 ZINC001179527805 909563032 /nfs/dbraw/zinc/56/30/32/909563032.db2.gz ZAHAHTQAHLSFHO-UHFFFAOYSA-N -1 3 382.641 3.712 20 10 GHCDHM [O-]c1cc(Br)ccc1CN1CCN(Cc2cccc(F)c2)CC1 ZINC001180387175 910109198 /nfs/dbraw/zinc/10/91/98/910109198.db2.gz VPYLOYIJSPYNOJ-UHFFFAOYSA-N -1 3 379.273 3.612 20 10 GHCDHM Cc1cnccc1OC1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000775206247 916289969 /nfs/dbraw/zinc/28/99/69/916289969.db2.gz WZWQSXLDRFWTFB-UHFFFAOYSA-N -1 3 377.282 3.902 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cn(-c2ccccc2)cn1 ZINC001191596232 918088172 /nfs/dbraw/zinc/08/81/72/918088172.db2.gz BSIDXGJKDIRHBK-UHFFFAOYSA-N -1 3 378.819 3.710 20 10 GHCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1nc(C2CC2)cs1 ZINC001137437728 925786947 /nfs/dbraw/zinc/78/69/47/925786947.db2.gz AFIHVPQSHPOLHW-HNNXBMFYSA-N -1 3 391.924 3.774 20 10 GHCDHM CCCc1ccc([C@@H](C)N(CC(N)=O)Cc2cc(F)cc(C(C)=O)c2[O-])cc1 ZINC000750820075 927873715 /nfs/dbraw/zinc/87/37/15/927873715.db2.gz WRUVCSUIWPITQK-CQSZACIVSA-N -1 3 386.467 3.735 20 10 GHCDHM CC(=O)N[C@H]1Cc2ccccc2N(Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781921433 931029450 /nfs/dbraw/zinc/02/94/50/931029450.db2.gz UAKSYFJDIHHKBD-INIZCTEOSA-N -1 3 389.293 3.531 20 10 GHCDHM CC[C@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1ccc(F)cc1[O-] ZINC000796973777 932131907 /nfs/dbraw/zinc/13/19/07/932131907.db2.gz AWVSBRLMLFHBRV-GOEBONIOSA-N -1 3 381.245 3.561 20 10 GHCDHM O=C(CC1CCCCC1)NC1CCC(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928711557 933078685 /nfs/dbraw/zinc/07/86/85/933078685.db2.gz ISVKKJSXCRQWPZ-UHFFFAOYSA-N -1 3 390.499 3.793 20 10 GHCDHM CCN1CCN(c2ccc(N[C@H](C)c3cc(C(=O)[O-])ccc3O)c(C)c2)CC1 ZINC001596442032 984132560 /nfs/dbraw/zinc/13/25/60/984132560.db2.gz JFJQQLOPZASJPX-MRXNPFEDSA-N -1 3 383.492 3.714 20 10 GHCDHM COc1cc(CN[C@H](C)c2ccccc2O)c(Br)cc1C(=O)[O-] ZINC001599417387 997534131 /nfs/dbraw/zinc/53/41/31/997534131.db2.gz ZKVGLMQUKLRHIM-SNVBAGLBSA-N -1 3 380.238 3.712 20 10 GHCDHM COc1ccc(C)cc1C1(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])CCOCC1 ZINC001599534538 997719381 /nfs/dbraw/zinc/71/93/81/997719381.db2.gz WCNAMHFKAVJOOF-MRXNPFEDSA-N -1 3 399.487 3.806 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)c([O-])c1O ZINC000803596738 1021613825 /nfs/dbraw/zinc/61/38/25/1021613825.db2.gz XUCPSUDCMIUGFO-UHFFFAOYSA-N -1 3 380.416 3.836 20 10 GHCDHM CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1Cc1c([O-])cc(F)cc1F ZINC001140583478 1022004410 /nfs/dbraw/zinc/00/44/10/1022004410.db2.gz INTMFGKUFMSFPI-IYOUNJFTSA-N -1 3 380.479 3.966 20 10 GHCDHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)ccc1F ZINC000755983370 1023465331 /nfs/dbraw/zinc/46/53/31/1023465331.db2.gz DXGRWFPJWHZVMG-UHFFFAOYSA-N -1 3 395.452 3.941 20 10 GHCDHM COc1ccc(Br)c(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756491689 1023683004 /nfs/dbraw/zinc/68/30/04/1023683004.db2.gz XNPQEWNZUDANAE-SNVBAGLBSA-N -1 3 381.226 3.922 20 10 GHCDHM CCN1CCN(c2ccc(N[C@H](C)c3cc([N+](=O)[O-])ccc3[O-])c(C)c2)CC1 ZINC000756792920 1023817939 /nfs/dbraw/zinc/81/79/39/1023817939.db2.gz PLZFTTZKYCGBLZ-MRXNPFEDSA-N -1 3 384.480 3.924 20 10 GHCDHM Cc1c[nH]c(CN2CCc3c(Cl)c([O-])c(O)cc3[C@H](c3ccc(O)cc3)C2)n1 ZINC001138938340 1025616057 /nfs/dbraw/zinc/61/60/57/1025616057.db2.gz INPYCUKKUKAWDW-KRWDZBQOSA-N -1 3 399.878 3.679 20 10 GHCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC(C(=O)c2ccccc2)CC1 ZINC001139126227 1025939397 /nfs/dbraw/zinc/93/93/97/1025939397.db2.gz BNPRILIPEORTPQ-UHFFFAOYSA-N -1 3 377.440 3.902 20 10 GHCDHM CCN(Cc1ccccc1O)Cc1cc(Br)ccc1OCC(=O)[O-] ZINC001139242966 1026092384 /nfs/dbraw/zinc/09/23/84/1026092384.db2.gz SNKLNAWJBMSHTI-UHFFFAOYSA-N -1 3 394.265 3.640 20 10 GHCDHM CCOC[C@@H]1CN(Cc2c([O-])cccc2Br)Cc2nn(CC)cc21 ZINC001140099721 1026877682 /nfs/dbraw/zinc/87/76/82/1026877682.db2.gz QYUXRLMCCQGZBU-ZDUSSCGKSA-N -1 3 394.313 3.507 20 10 GHCDHM O=S1(=O)CCN(Cc2cc3oc4ccccc4c3cc2[O-])[C@@H](C2CCC2)C1 ZINC000840174337 1027310041 /nfs/dbraw/zinc/31/00/41/1027310041.db2.gz LPTHFXGVPPYEIE-GOSISDBHSA-N -1 3 385.485 3.691 20 10 GHCDHM C[C@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])CC[C@@H]1O ZINC001203562281 1027434880 /nfs/dbraw/zinc/43/48/80/1027434880.db2.gz GRDBULBIDKIJAE-ZANVPECISA-N -1 3 393.119 3.510 20 10 GHCDHM [O-]c1c(Br)cc(Br)cc1CN1CCC2(COC2)CC1 ZINC001203562670 1027435938 /nfs/dbraw/zinc/43/59/38/1027435938.db2.gz OHJNQQQMTWMZDJ-UHFFFAOYSA-N -1 3 391.103 3.530 20 10 GHCDHM C[C@H]1CCN(Cc2cc(Br)ccc2[O-])CCN1C(=O)OC(C)(C)C ZINC001203636229 1027493843 /nfs/dbraw/zinc/49/38/43/1027493843.db2.gz QGPSBJYAWWMPEW-ZDUSSCGKSA-N -1 3 399.329 3.986 20 10 GHCDHM C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1Cc1cc(Br)ccc1[O-] ZINC001203636345 1027495896 /nfs/dbraw/zinc/49/58/96/1027495896.db2.gz USRSLMMUSJAUPQ-ZDUSSCGKSA-N -1 3 399.329 3.986 20 10 GHCDHM Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2cc(Cl)ccc2[O-])n1 ZINC001203656696 1027510870 /nfs/dbraw/zinc/51/08/70/1027510870.db2.gz UMORONKNFYAIJT-CEWLAPEOSA-N -1 3 388.895 3.698 20 10 GHCDHM COCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000840918027 1027956872 /nfs/dbraw/zinc/95/68/72/1027956872.db2.gz OJHZGEHDUVDRHC-UHFFFAOYSA-N -1 3 379.478 3.780 20 10 GHCDHM CCS(=O)(=O)c1cc(Cl)cc(CNCc2cc(Cl)cc(F)c2[O-])c1 ZINC000840956437 1027985544 /nfs/dbraw/zinc/98/55/44/1027985544.db2.gz QUUYMZCKKYSJBP-UHFFFAOYSA-N -1 3 392.279 3.922 20 10 GHCDHM O=C1CC[C@@H]2[C@@H](CCN2Cc2cc(F)c(Cl)cc2[O-])N1CC1CCCC1 ZINC001276967157 1030978376 /nfs/dbraw/zinc/97/83/76/1030978376.db2.gz FKELQYMQLNWGIN-QZTJIDSGSA-N -1 3 380.891 3.940 20 10 GHCDHM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])cccc2Br)C(C)(C)C1 ZINC001461851679 1069792889 /nfs/dbraw/zinc/79/28/89/1069792889.db2.gz QUEAEGBFJMRLDF-UHFFFAOYSA-N -1 3 399.329 3.986 20 10 GHCDHM CS(=O)(=O)c1ccc(Cl)nc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001157726084 1033741668 /nfs/dbraw/zinc/74/16/68/1033741668.db2.gz DBKQDEMBLCMXKP-UHFFFAOYSA-N -1 3 398.271 3.658 20 10 GHCDHM CC(C)(C)OC(=O)Nc1ccc2c(c1)CCN(Cc1cc(C(=O)[O-])ccc1O)C2 ZINC001231565599 1034716060 /nfs/dbraw/zinc/71/60/60/1034716060.db2.gz HXEQWAYGFDNJMT-UHFFFAOYSA-N -1 3 398.459 3.996 20 10 GHCDHM Cc1cc([O-])c(CN2CCn3c(Cc4ccc(F)cc4)nnc3C2)cc1Cl ZINC001231870720 1034957595 /nfs/dbraw/zinc/95/75/95/1034957595.db2.gz QAHZYYJRDZZIBW-UHFFFAOYSA-N -1 3 386.858 3.691 20 10 GHCDHM C[C@@H]1CN(Cc2c([O-])cccc2Br)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001462071587 1069980045 /nfs/dbraw/zinc/98/00/45/1069980045.db2.gz NIGZHVHCUSZBGA-QWHCGFSZSA-N -1 3 399.329 3.984 20 10 GHCDHM COc1cc([O-])c(CN2CC[C@@H](C)N(C(=O)OC(C)(C)C)CC2)cc1Cl ZINC001232266432 1037987750 /nfs/dbraw/zinc/98/77/50/1037987750.db2.gz OGQYPDFIVZOYCI-CYBMUJFWSA-N -1 3 384.904 3.886 20 10 GHCDHM O=C(Nc1ccccc1)N1CCN(Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233454340 1039344112 /nfs/dbraw/zinc/34/41/12/1039344112.db2.gz QSNRBYBHUKXWPZ-UHFFFAOYSA-N -1 3 379.382 3.761 20 10 GHCDHM O=C1NCCN(Cc2ccc(C(F)(F)F)cc2[O-])[C@@H]1c1ccc(Cl)cc1 ZINC001233455738 1039345433 /nfs/dbraw/zinc/34/54/33/1039345433.db2.gz WSMRARXROSXQSC-MRXNPFEDSA-N -1 3 384.785 3.738 20 10 GHCDHM O=C(NCC(F)F)[C@H]1CC12CCN(Cc1cc(Cl)c(Cl)cc1[O-])CC2 ZINC001277830003 1039809687 /nfs/dbraw/zinc/80/96/87/1039809687.db2.gz LFPDFEIMIIXEHS-LLVKDONJSA-N -1 3 393.261 3.682 20 10 GHCDHM C[C@@H](Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12)c1ncccc1F ZINC001234752220 1040279339 /nfs/dbraw/zinc/27/93/39/1040279339.db2.gz FXEFYVOQCYDDPY-SECBINFHSA-N -1 3 383.331 3.737 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CC[C@@H](OC(=O)OC(C)(C)C)C2)c1 ZINC001236663998 1041811911 /nfs/dbraw/zinc/81/19/11/1041811911.db2.gz RIHIOVNNGHPMDM-CYBMUJFWSA-N -1 3 386.286 3.989 20 10 GHCDHM [O-]c1cc(Cl)c(Cl)cc1CN1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001236789692 1041895545 /nfs/dbraw/zinc/89/55/45/1041895545.db2.gz HPVMHVYQXJUGEA-POZUXBRTSA-N -1 3 395.286 3.510 20 10 GHCDHM NC(=O)c1ccc(O[C@@H]2CCCN(Cc3cc(Cl)c(Cl)cc3[O-])C2)cc1 ZINC001236802998 1041904763 /nfs/dbraw/zinc/90/47/63/1041904763.db2.gz LIGJEFNODAEGEP-OAHLLOKOSA-N -1 3 395.286 3.841 20 10 GHCDHM COc1cc([O-])c(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC001236809493 1041909325 /nfs/dbraw/zinc/90/93/25/1041909325.db2.gz WEUHBMJJXTVTRV-UHFFFAOYSA-N -1 3 395.286 3.666 20 10 GHCDHM CCOC(=O)c1coc(C2CCN(Cc3ccc(OC)c(Cl)c3[O-])CC2)n1 ZINC001236809235 1041909663 /nfs/dbraw/zinc/90/96/63/1041909663.db2.gz KMXSFEVALCIGOA-UHFFFAOYSA-N -1 3 394.855 3.599 20 10 GHCDHM COc1cc([O-])c(CN(C)CCC(=O)c2ccccc2)c(Br)c1 ZINC001237072481 1042022538 /nfs/dbraw/zinc/02/25/38/1042022538.db2.gz HRCUTZAWQWZZCU-UHFFFAOYSA-N -1 3 378.266 3.868 20 10 GHCDHM CCN(C)c1ncnc2c1CCN(Cc1c([O-])ccc(Cl)c1Cl)CC2 ZINC001237079929 1042025511 /nfs/dbraw/zinc/02/55/11/1042025511.db2.gz PGKRGMWGXDFSFJ-UHFFFAOYSA-N -1 3 381.307 3.546 20 10 GHCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCC2(CC(N3CCCC3)=NO2)CC1 ZINC001237081524 1042027434 /nfs/dbraw/zinc/02/74/34/1042027434.db2.gz LSIDAVJTQLHKAL-UHFFFAOYSA-N -1 3 384.307 3.863 20 10 GHCDHM COc1c([O-])c(CNc2ccc(-n3nnc4ccccc43)cc2)ccc1[N+](=O)[O-] ZINC001462601907 1070405587 /nfs/dbraw/zinc/40/55/87/1070405587.db2.gz JDQQKNGODQYGIO-UHFFFAOYSA-N -1 3 391.387 3.655 20 10 GHCDHM O=S(=O)([N-]c1ccc(O)cc1Br)c1cccc(Cl)c1F ZINC001259469672 1045182896 /nfs/dbraw/zinc/18/28/96/1045182896.db2.gz XYCSKOUZEBIZJB-UHFFFAOYSA-N -1 3 380.622 3.748 20 10 GHCDHM Cc1ccc(F)c(S(=O)(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001259639567 1045254620 /nfs/dbraw/zinc/25/46/20/1045254620.db2.gz FXBJEISHRAJQIN-UHFFFAOYSA-N -1 3 380.828 3.520 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N(C)CCC1CCOCC1 ZINC001263115345 1046563170 /nfs/dbraw/zinc/56/31/70/1046563170.db2.gz PDQDBOMFITVWIA-UHFFFAOYSA-N -1 3 387.509 3.533 20 10 GHCDHM O=C([C@@H]1CC12CCN(Cc1cc(Cl)cc(Cl)c1[O-])CC2)N1CC=CC1 ZINC001279976463 1048023834 /nfs/dbraw/zinc/02/38/34/1048023834.db2.gz XMFIVASSQUAMBQ-HNNXBMFYSA-N -1 3 381.303 3.700 20 10 GHCDHM CCN(CC)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000725824584 1048229846 /nfs/dbraw/zinc/22/98/46/1048229846.db2.gz YLAXLIKXJBYIMD-UHFFFAOYSA-N -1 3 397.884 3.573 20 10 GHCDHM Cc1cccc(CN2CCN(Cc3cc(Br)cc(F)c3[O-])CC2)c1 ZINC001308649590 1050046993 /nfs/dbraw/zinc/04/69/93/1050046993.db2.gz JGFFPCYBABLAIK-UHFFFAOYSA-N -1 3 393.300 3.920 20 10 GHCDHM O=C(CCCc1ccccc1)N[C@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001308758059 1050085013 /nfs/dbraw/zinc/08/50/13/1050085013.db2.gz LJNUIYHKGARYFV-SFHVURJKSA-N -1 3 388.458 3.774 20 10 GHCDHM CC(C)Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@@H]2OCC[C@@H]2C1 ZINC001342687120 1053299924 /nfs/dbraw/zinc/29/99/24/1053299924.db2.gz IXEDDWPRMHLNFV-HIFRSBDPSA-N -1 3 399.520 3.532 20 10 GHCDHM CCCO[C@@H]1CCCN(c2nnc(-c3sc4ncccc4c3[O-])n2C)CC1 ZINC001338589771 1058663019 /nfs/dbraw/zinc/66/30/19/1058663019.db2.gz WAWGJWHTDRGJIR-CYBMUJFWSA-N -1 3 387.509 3.583 20 10 GHCDHM CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)NCc2c([O-])cccc2F)CC1=O ZINC001456090551 1062476850 /nfs/dbraw/zinc/47/68/50/1062476850.db2.gz LYGWGNXVFAWVRJ-GJZGRUSLSA-N -1 3 384.451 3.714 20 10 GHCDHM COc1ccc(N2CCN(C(=O)c3cc4sccc4c([O-])c3)CC2)cc1F ZINC001465930009 1065927149 /nfs/dbraw/zinc/92/71/49/1065927149.db2.gz BLHNINJFJMBSQD-UHFFFAOYSA-N -1 3 386.448 3.717 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC([C@@H]2CCOC2)CC1 ZINC001353729889 1066201672 /nfs/dbraw/zinc/20/16/72/1066201672.db2.gz VYLKMFMUXXJYBX-CQSZACIVSA-N -1 3 399.520 3.533 20 10 GHCDHM O=C(NCc1cccc(COCC(F)(F)F)c1)NCc1c([O-])cccc1F ZINC001469492438 1068189264 /nfs/dbraw/zinc/18/92/64/1068189264.db2.gz GFJIFWRNYMCNBK-UHFFFAOYSA-N -1 3 386.345 3.610 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC001471975938 1073288706 /nfs/dbraw/zinc/28/87/06/1073288706.db2.gz NKNWIQMIZKXIII-UHFFFAOYSA-N -1 3 379.313 3.666 20 10 GHCDHM Cc1cc(C(=O)N(CC(C)C)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737226834 598933720 /nfs/dbraw/zinc/93/37/20/598933720.db2.gz FKDKVIGBEAHRRK-UHFFFAOYSA-N -1 3 378.480 3.535 20 10 GHCDHM CCSCC[C@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821461799 599218269 /nfs/dbraw/zinc/21/82/69/599218269.db2.gz TURFOCZITMTZBV-ZDUSSCGKSA-N -1 3 398.536 3.536 20 10 GHCDHM c1[nH]c2ncccc2c1C1=CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000735399297 599263119 /nfs/dbraw/zinc/26/31/19/599263119.db2.gz KHTPBAKCNBJFGG-UHFFFAOYSA-N -1 3 394.442 3.585 20 10 GHCDHM c1[nH]c2ncccc2c1C1=CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000735399297 599263122 /nfs/dbraw/zinc/26/31/22/599263122.db2.gz KHTPBAKCNBJFGG-UHFFFAOYSA-N -1 3 394.442 3.585 20 10 GHCDHM CCCN(Cc1ccccc1O)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736480317 598281174 /nfs/dbraw/zinc/28/11/74/598281174.db2.gz MQWCBHRQICSDKL-UHFFFAOYSA-N -1 3 397.483 3.573 20 10 GHCDHM CCCN(Cc1ccccc1O)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736480317 598281175 /nfs/dbraw/zinc/28/11/75/598281175.db2.gz MQWCBHRQICSDKL-UHFFFAOYSA-N -1 3 397.483 3.573 20 10 GHCDHM CC[C@@H]1CCCCN1C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736398513 598608512 /nfs/dbraw/zinc/60/85/12/598608512.db2.gz AZOWGBHITLQIBO-QGZVFWFLSA-N -1 3 378.480 3.679 20 10 GHCDHM C[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)SC1=S ZINC000820570777 606393239 /nfs/dbraw/zinc/39/32/39/606393239.db2.gz RDQNGZMNVSDINH-ADVUTCEVSA-N -1 3 399.526 3.891 20 10 GHCDHM CSc1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)o1 ZINC000134266334 839819052 /nfs/dbraw/zinc/81/90/52/839819052.db2.gz NUXZULADVSCXGI-AWEZNQCLSA-N -1 3 380.897 3.755 20 10 GHCDHM COc1ccccc1-c1noc([C@@H](C)NCc2cc(F)cc(C(C)=O)c2[O-])n1 ZINC000273425631 847334773 /nfs/dbraw/zinc/33/47/73/847334773.db2.gz WJPYXJVVRXCYLB-LLVKDONJSA-N -1 3 385.395 3.643 20 10 GHCDHM COCCOC(=O)Nc1cccc(N[C@H](C)c2cc(C(=O)OC)ccc2[O-])c1 ZINC000273511741 847359730 /nfs/dbraw/zinc/35/97/30/847359730.db2.gz RWEGUKQXDOFFQX-CYBMUJFWSA-N -1 3 388.420 3.547 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)c1[O-] ZINC001168603455 854673302 /nfs/dbraw/zinc/67/33/02/854673302.db2.gz GEBMKOPQDCIBLV-OLZOCXBDSA-N -1 3 380.460 3.564 20 10 GHCDHM O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1cccc(O)c1[O-] ZINC000187007827 862906468 /nfs/dbraw/zinc/90/64/68/862906468.db2.gz IHXCZCFUQQTCMA-UHFFFAOYSA-N -1 3 395.377 3.595 20 10 GHCDHM [O-]c1ccc(Cl)cc1CN1CCn2c(Cc3cccc(F)c3F)nnc2C1 ZINC000895731327 859883737 /nfs/dbraw/zinc/88/37/37/859883737.db2.gz GVLGFTRIRZCWPY-UHFFFAOYSA-N -1 3 390.821 3.522 20 10 GHCDHM O=S(=O)([N-]CCCSc1nccs1)c1cccc(Cl)c1Cl ZINC000733899083 863329760 /nfs/dbraw/zinc/32/97/60/863329760.db2.gz DCOBKVQDMNWADF-UHFFFAOYSA-N -1 3 383.347 3.911 20 10 GHCDHM Cc1cc(CCNC(=O)c2nnc3ccccc3c2[O-])c(C)n1-c1ccccc1 ZINC000735649393 864902350 /nfs/dbraw/zinc/90/23/50/864902350.db2.gz FUAHVZBRSAMYRY-UHFFFAOYSA-N -1 3 386.455 3.715 20 10 GHCDHM COC(=O)c1cccc2c(NCc3cc(Cl)c4cccnc4c3[O-])ncnc12 ZINC001168527030 865172431 /nfs/dbraw/zinc/17/24/31/865172431.db2.gz BQPQUAVQZLPNJO-UHFFFAOYSA-N -1 3 394.818 3.936 20 10 GHCDHM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCC[C@H](N3CCCC3)CC2)c1[O-] ZINC000738270015 865511159 /nfs/dbraw/zinc/51/11/59/865511159.db2.gz IFDIWVWJIIEGEI-IBGZPJMESA-N -1 3 394.515 3.779 20 10 GHCDHM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCC[C@H](N3CCCC3)CC2)c1[O-] ZINC000738270015 865511164 /nfs/dbraw/zinc/51/11/64/865511164.db2.gz IFDIWVWJIIEGEI-IBGZPJMESA-N -1 3 394.515 3.779 20 10 GHCDHM [O-]c1ccc(Cl)c(F)c1CN[C@H](CO)c1ccccc1OC(F)(F)F ZINC000793347358 882144329 /nfs/dbraw/zinc/14/43/29/882144329.db2.gz BJNNAGZRPWGXGI-GFCCVEGCSA-N -1 3 379.737 3.907 20 10 GHCDHM Cn1ccc(-c2ccc(C(=O)NCc3cc(Cl)c4cccnc4c3[O-])cc2)n1 ZINC001193700074 871262955 /nfs/dbraw/zinc/26/29/55/871262955.db2.gz XWGLCVLGQJRBIA-UHFFFAOYSA-N -1 3 392.846 3.924 20 10 GHCDHM CC(C)N1CCN(c2cccc([N-]S(=O)(=O)c3ccccc3Cl)c2)CC1 ZINC000768014902 873026141 /nfs/dbraw/zinc/02/61/41/873026141.db2.gz BJEPSXDNYCQRSD-UHFFFAOYSA-N -1 3 393.940 3.671 20 10 GHCDHM NC(=O)c1ccc2cc(NCc3cc(Cl)c4cccnc4c3[O-])ccc2n1 ZINC001168526464 873227352 /nfs/dbraw/zinc/22/73/52/873227352.db2.gz WKWGUZJFVJXYCN-UHFFFAOYSA-N -1 3 378.819 3.853 20 10 GHCDHM O=C(c1ccc(F)cc1Cl)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000769148542 873847866 /nfs/dbraw/zinc/84/78/66/873847866.db2.gz NMPNZRMDAWRUPM-UHFFFAOYSA-N -1 3 383.250 3.796 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cccnc1OCC1CC1 ZINC001197672431 873960564 /nfs/dbraw/zinc/96/05/64/873960564.db2.gz HAHDHGSWUZOFKN-UHFFFAOYSA-N -1 3 383.835 3.708 20 10 GHCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CCOc2ccccc21 ZINC000769379522 874006624 /nfs/dbraw/zinc/00/66/24/874006624.db2.gz BEXGRDWIRNPALN-CQSZACIVSA-N -1 3 375.852 3.587 20 10 GHCDHM C[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000769425967 874046907 /nfs/dbraw/zinc/04/69/07/874046907.db2.gz RUSLLSYCXZABCP-SMDDNHRTSA-N -1 3 399.875 3.689 20 10 GHCDHM Cc1cc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c(C)n1-c1cccc(Cl)c1 ZINC000775913577 874652899 /nfs/dbraw/zinc/65/28/99/874652899.db2.gz HRUMRCVMBVVPBH-UHFFFAOYSA-N -1 3 397.788 3.814 20 10 GHCDHM COC(=O)c1cnc(SCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)[n-]1 ZINC000776433930 876489753 /nfs/dbraw/zinc/48/97/53/876489753.db2.gz NEYAFYKPDIUERT-UHFFFAOYSA-N -1 3 387.436 3.718 20 10 GHCDHM CN(Cc1cccc(Br)c1[O-])[C@H]1CCN(c2ccccc2F)C1=O ZINC000093385555 912234923 /nfs/dbraw/zinc/23/49/23/912234923.db2.gz IORQWUJZXMXSRB-INIZCTEOSA-N -1 3 393.256 3.531 20 10 GHCDHM CC(=O)OC[C@@H](C(=O)NCc1cc(Cl)c2cccnc2c1[O-])c1ccccc1 ZINC001183110865 912292255 /nfs/dbraw/zinc/29/22/55/912292255.db2.gz GZNNBYVUOOWIKE-QGZVFWFLSA-N -1 3 398.846 3.557 20 10 GHCDHM Cc1cc(C)c(N2CC[C@H](N[C@@H](C)c3cc([N+](=O)[O-])ccc3[O-])C2=O)c(C)c1 ZINC000788986077 878495592 /nfs/dbraw/zinc/49/55/92/878495592.db2.gz ZEPCJDFHRMRWGI-YJBOKZPZSA-N -1 3 383.448 3.682 20 10 GHCDHM C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1cccc(O)c1[O-])OCCO3 ZINC000776618080 878532794 /nfs/dbraw/zinc/53/27/94/878532794.db2.gz YCNGAFMCBUQBAS-AWEZNQCLSA-N -1 3 395.455 3.898 20 10 GHCDHM CC1CCN([C@H](CNC(=O)c2c(F)ccc(O)c2[O-])c2cccs2)CC1 ZINC000789943973 879358254 /nfs/dbraw/zinc/35/82/54/879358254.db2.gz KTVCNLRWXNKZND-CQSZACIVSA-N -1 3 378.469 3.501 20 10 GHCDHM COc1ccc(C[C@@H](NC(=O)c2cccc(O)c2[O-])c2ccccc2)cc1OC ZINC000790631167 879869000 /nfs/dbraw/zinc/86/90/00/879869000.db2.gz KAMMCLWVRKLNAF-GOSISDBHSA-N -1 3 393.439 3.829 20 10 GHCDHM O=S(=O)([N-]c1ccc(O)cc1)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000776745707 879876005 /nfs/dbraw/zinc/87/60/05/879876005.db2.gz ZCEVPXLVCUAHJE-UHFFFAOYSA-N -1 3 393.358 3.610 20 10 GHCDHM [O-]c1cc(F)c(F)cc1CN1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 ZINC001142520596 884479446 /nfs/dbraw/zinc/47/94/46/884479446.db2.gz LZWIAAAMDSLDCQ-HRAATJIYSA-N -1 3 390.430 3.516 20 10 GHCDHM CC(=O)Nc1cccc2c1CCN(Cc1c([O-])cccc1Br)C2 ZINC000862230872 886226872 /nfs/dbraw/zinc/22/68/72/886226872.db2.gz OKOVCBYCALZTBP-UHFFFAOYSA-N -1 3 375.266 3.671 20 10 GHCDHM CCOC(=O)c1cc2cc(S(=O)(=O)[N-]c3ccc(O)cc3)ccc2s1 ZINC000794578780 887466860 /nfs/dbraw/zinc/46/68/60/887466860.db2.gz NLAJYWYNWWJZCA-UHFFFAOYSA-N -1 3 377.443 3.584 20 10 GHCDHM CCNC(=O)OC[C@@H]1CCCCN1Cc1cc(C)cc(Br)c1[O-] ZINC000809691345 887667911 /nfs/dbraw/zinc/66/79/11/887667911.db2.gz LNNJEXVCDPFQGT-AWEZNQCLSA-N -1 3 385.302 3.564 20 10 GHCDHM COc1c([O-])c(CNCc2cc(F)c(C(F)(F)F)cc2F)ccc1[N+](=O)[O-] ZINC000809770146 887758364 /nfs/dbraw/zinc/75/83/64/887758364.db2.gz RDBQJPKZAZWGHJ-UHFFFAOYSA-N -1 3 392.280 3.896 20 10 GHCDHM COc1cc(CNCc2cc(Cl)cc(Cl)c2[O-])c([N+](=O)[O-])cc1OC ZINC000809776076 887768187 /nfs/dbraw/zinc/76/81/87/887768187.db2.gz SMPNAUUMXSMEEI-UHFFFAOYSA-N -1 3 387.219 3.914 20 10 GHCDHM O=C(c1ccccc1)N1CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000121192445 889011427 /nfs/dbraw/zinc/01/14/27/889011427.db2.gz XYLGSBCBWLKATD-UHFFFAOYSA-N -1 3 389.293 3.503 20 10 GHCDHM CC(C)(NCc1cccc(Br)c1[O-])c1cn(-c2ccccc2)nn1 ZINC000154018126 889049604 /nfs/dbraw/zinc/04/96/04/889049604.db2.gz IXCPXAPEWNIDGE-UHFFFAOYSA-N -1 3 387.281 3.760 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2ccc(C)c(S(C)(=O)=O)c2)c1 ZINC000816565468 894947418 /nfs/dbraw/zinc/94/74/18/894947418.db2.gz PWRFJGOYICOGFA-UHFFFAOYSA-N -1 3 384.295 3.787 20 10 GHCDHM COC(=O)c1cnc([C@@H](C)N[C@H](C)c2cc(Br)ccc2[O-])s1 ZINC000818358353 896145086 /nfs/dbraw/zinc/14/50/86/896145086.db2.gz WWXALQAQBWXDEJ-RKDXNWHRSA-N -1 3 385.283 3.810 20 10 GHCDHM CCc1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c([O-])c1 ZINC001136311679 897218555 /nfs/dbraw/zinc/21/85/55/897218555.db2.gz ZBXWAHRLQOFGBH-GJZGRUSLSA-N -1 3 386.467 3.637 20 10 GHCDHM S=C(NNc1ccc(-c2nnn[n-]2)c(Cl)c1)Nc1ccc2ccccc2c1 ZINC000826512148 901378248 /nfs/dbraw/zinc/37/82/48/901378248.db2.gz QDKAANJZTUFTSI-UHFFFAOYSA-N -1 3 395.879 3.987 20 10 GHCDHM S=C(NNc1ccc(-c2nn[n-]n2)c(Cl)c1)Nc1ccc2ccccc2c1 ZINC000826512148 901378255 /nfs/dbraw/zinc/37/82/55/901378255.db2.gz QDKAANJZTUFTSI-UHFFFAOYSA-N -1 3 395.879 3.987 20 10 GHCDHM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093889123 901576322 /nfs/dbraw/zinc/57/63/22/901576322.db2.gz QIMVQQZCZGWPFA-JPQMIFPKSA-N -1 3 382.869 3.884 20 10 GHCDHM CN1CCN(Cc2cc(Br)c(F)cc2[O-])C[C@@H]1c1ccccc1 ZINC001144299571 901649225 /nfs/dbraw/zinc/64/92/25/901649225.db2.gz AOYJANPMXXZKHW-QGZVFWFLSA-N -1 3 379.273 3.783 20 10 GHCDHM CC1(C(=O)N2CCCC2)CCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144306721 901685729 /nfs/dbraw/zinc/68/57/29/901685729.db2.gz NJXIGHYCALUHIH-UHFFFAOYSA-N -1 3 399.304 3.518 20 10 GHCDHM CSc1cccnc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000845833878 902442801 /nfs/dbraw/zinc/44/28/01/902442801.db2.gz OVKTWDUBQUXQLV-HNNXBMFYSA-N -1 3 391.924 3.557 20 10 GHCDHM O=C(NCc1ccco1)c1ccc(Cl)c(NC(=O)c2cccc(O)c2[O-])c1 ZINC001148218926 904010272 /nfs/dbraw/zinc/01/02/72/904010272.db2.gz OKRXVBFJPHQLLV-UHFFFAOYSA-N -1 3 386.791 3.527 20 10 GHCDHM COc1c(F)c(F)cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1F ZINC001148788651 904193237 /nfs/dbraw/zinc/19/32/37/904193237.db2.gz KVTHYCMYPMVENI-UHFFFAOYSA-N -1 3 396.752 3.950 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCC(NC(=O)c3ccoc3C)CC2)c1[O-] ZINC000177108887 906039717 /nfs/dbraw/zinc/03/97/17/906039717.db2.gz GFYQVHVBOXPXFB-UHFFFAOYSA-N -1 3 390.867 3.544 20 10 GHCDHM COc1cc(OC)cc([C@@H](N[C@@H](C)c2cc(F)ccc2[O-])c2nccn2C)c1 ZINC000184960596 907687758 /nfs/dbraw/zinc/68/77/58/907687758.db2.gz DKDWFOQWNMHDKO-RNODOKPDSA-N -1 3 385.439 3.722 20 10 GHCDHM C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccc(N(C)C)cc1 ZINC000773609508 908379420 /nfs/dbraw/zinc/37/94/20/908379420.db2.gz AHPAMDVJQJIQGG-GFCCVEGCSA-N -1 3 392.297 3.781 20 10 GHCDHM O=C(Cc1ccc(C(F)(F)F)cn1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001177159649 908437866 /nfs/dbraw/zinc/43/78/66/908437866.db2.gz NVGLQXGJDYQDDT-UHFFFAOYSA-N -1 3 395.768 3.867 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC001178412673 909049056 /nfs/dbraw/zinc/04/90/56/909049056.db2.gz DNDBZOWXVBMXQM-UHFFFAOYSA-N -1 3 385.341 3.971 20 10 GHCDHM CN(Cc1cccc(C(N)=O)c1)Cc1cc(Cl)cc(Br)c1[O-] ZINC001180172855 909974267 /nfs/dbraw/zinc/97/42/67/909974267.db2.gz BVUDHLMMFSZNQP-UHFFFAOYSA-N -1 3 383.673 3.539 20 10 GHCDHM COC(=O)c1ccc(F)c2c1CN(Cc1c([O-])cccc1Br)CC2 ZINC001182901288 912130194 /nfs/dbraw/zinc/13/01/94/912130194.db2.gz AFTCXKBDKBRAQA-UHFFFAOYSA-N -1 3 394.240 3.639 20 10 GHCDHM O=S(=O)(NCc1cc(Cl)c2cccnc2c1[O-])c1ccc(C2CC2)cc1 ZINC001190515932 917378584 /nfs/dbraw/zinc/37/85/84/917378584.db2.gz YTWWYIRJAPJOLA-UHFFFAOYSA-N -1 3 388.876 3.950 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1nc(C2CC2)cs1 ZINC001137437729 925788015 /nfs/dbraw/zinc/78/80/15/925788015.db2.gz AFIHVPQSHPOLHW-OAHLLOKOSA-N -1 3 391.924 3.774 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)c([O-])c1O ZINC000780952287 930648621 /nfs/dbraw/zinc/64/86/21/930648621.db2.gz KCLPITDYQJIBHH-UHFFFAOYSA-N -1 3 378.384 3.550 20 10 GHCDHM CCOC(=O)N(C)C1CCN(Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000781913767 931027574 /nfs/dbraw/zinc/02/75/74/931027574.db2.gz TZYQWPPLXYZNMZ-UHFFFAOYSA-N -1 3 385.302 3.516 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1[O-] ZINC000781977036 931049113 /nfs/dbraw/zinc/04/91/13/931049113.db2.gz HVRXIHSAQQOMIU-UHFFFAOYSA-N -1 3 380.460 3.613 20 10 GHCDHM CCN(Cc1cc(C(F)(F)F)n[nH]1)Cc1cc(Br)ccc1[O-] ZINC000799734015 933102978 /nfs/dbraw/zinc/10/29/78/933102978.db2.gz WBAJBJRLYAUBLF-UHFFFAOYSA-N -1 3 378.192 3.919 20 10 GHCDHM CN(C)c1ccc(CN[C@](C)(CC(=O)[O-])c2ccncc2)c(C(F)(F)F)c1 ZINC001598320893 991322031 /nfs/dbraw/zinc/32/20/31/991322031.db2.gz ZGTDELWVMOKEOY-GOSISDBHSA-N -1 3 381.398 3.646 20 10 GHCDHM C[C@H]([NH2+]CCCC(=O)Nc1ccc(Cl)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593263620 994560014 /nfs/dbraw/zinc/56/00/14/994560014.db2.gz AOAPIXFMBBYNNV-LBPRGKRZSA-N -1 3 376.840 3.813 20 10 GHCDHM C[C@H](NCc1ccc(N2CCSCC2)cc1)c1ccccc1OCC(=O)[O-] ZINC001593297872 994708822 /nfs/dbraw/zinc/70/88/22/994708822.db2.gz BJCHQLBICRKQPJ-INIZCTEOSA-N -1 3 386.517 3.554 20 10 GHCDHM COc1ccc([C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C(=O)[O-])cc1 ZINC001599532112 997674769 /nfs/dbraw/zinc/67/47/69/997674769.db2.gz ODHYSIGSQWLKBK-QFIPXVFZSA-N -1 3 393.439 3.895 20 10 GHCDHM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001594167081 998641119 /nfs/dbraw/zinc/64/11/19/998641119.db2.gz JGNYALPTAUNQKK-ZFWWWQNUSA-N -1 3 381.314 3.734 20 10 GHCDHM CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)NCc3c([O-])cccc3F)[nH]n2)c1C ZINC001156171370 1032912195 /nfs/dbraw/zinc/91/21/95/1032912195.db2.gz ZYRDQAQJOLKPOG-LLVKDONJSA-N -1 3 385.443 3.636 20 10 GHCDHM COC(=O)CN(Cc1c(C)nn(C(C)C)c1C)Cc1cc(Cl)ccc1[O-] ZINC001204867640 1033132374 /nfs/dbraw/zinc/13/23/74/1033132374.db2.gz XFZYHXZGFQRERI-UHFFFAOYSA-N -1 3 379.888 3.615 20 10 GHCDHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cc1OC ZINC000755985129 1023466329 /nfs/dbraw/zinc/46/63/29/1023466329.db2.gz XBZODYXCGGJPQW-UHFFFAOYSA-N -1 3 379.478 3.950 20 10 GHCDHM C[C@H](NCc1csc(CNC(=O)c2ccccc2)n1)c1ccc(F)cc1[O-] ZINC000756643560 1023751390 /nfs/dbraw/zinc/75/13/90/1023751390.db2.gz VXEBXRFJWWHFQZ-ZDUSSCGKSA-N -1 3 385.464 3.769 20 10 GHCDHM C[C@H](N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756778637 1023813128 /nfs/dbraw/zinc/81/31/28/1023813128.db2.gz OEZHXBRYPDAXMP-MGPLVRAMSA-N -1 3 393.802 3.549 20 10 GHCDHM CCOC(=O)c1cc2cc(N3CCN(Cc4cccc(F)c4[O-])CC3)ccc2o1 ZINC001138129401 1024179736 /nfs/dbraw/zinc/17/97/36/1024179736.db2.gz BCERUHLTTVWOBE-UHFFFAOYSA-N -1 3 398.434 3.776 20 10 GHCDHM Cc1ccccc1CN1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001205087575 1033244337 /nfs/dbraw/zinc/24/43/37/1033244337.db2.gz CYZKLPJYHHXRPS-UHFFFAOYSA-N -1 3 393.300 3.920 20 10 GHCDHM COc1cc(CN(C)Cc2c([O-])cccc2Br)cc(OC)c1OC ZINC001140101114 1026879791 /nfs/dbraw/zinc/87/97/91/1026879791.db2.gz LIYFAKGENMWQKD-UHFFFAOYSA-N -1 3 396.281 3.813 20 10 GHCDHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cc(Br)ccc3[O-])[C@@H]2C1 ZINC001203635692 1027494431 /nfs/dbraw/zinc/49/44/31/1027494431.db2.gz DQIUHWFYRSKFDD-IUODEOHRSA-N -1 3 397.313 3.596 20 10 GHCDHM CS(=O)(=O)c1ccc(C2CCN(Cc3cc(Cl)ccc3[O-])CC2)cc1 ZINC001203665201 1027518511 /nfs/dbraw/zinc/51/85/11/1027518511.db2.gz BAYLQTDBSQWLSX-UHFFFAOYSA-N -1 3 379.909 3.829 20 10 GHCDHM Cc1ccc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)Cc3ccccc32)c([O-])c1O ZINC000841450145 1028651809 /nfs/dbraw/zinc/65/18/09/1028651809.db2.gz XYBSGCNQGYQNQN-OAHLLOKOSA-N -1 3 398.459 3.502 20 10 GHCDHM CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(Br)cc(F)c1[O-] ZINC001276881061 1030523655 /nfs/dbraw/zinc/52/36/55/1030523655.db2.gz GPEZZESEXATNBV-HFBAOOFYSA-N -1 3 399.304 3.658 20 10 GHCDHM C[C@@H]1CN(c2cc(F)cc(NC(=O)NCc3c([O-])cccc3F)c2)C[C@H](C)O1 ZINC001219352711 1031372652 /nfs/dbraw/zinc/37/26/52/1031372652.db2.gz RKPZKMJMESAQGK-BETUJISGSA-N -1 3 391.418 3.606 20 10 GHCDHM COC(=O)c1ccc2cnc(NCc3cc(Cl)c4cccnc4c3[O-])nc2c1 ZINC001157723995 1033740448 /nfs/dbraw/zinc/74/04/48/1033740448.db2.gz IJOORNLLEFUMSV-UHFFFAOYSA-N -1 3 394.818 3.936 20 10 GHCDHM C[C@@H]1CN(Cc2ccc(Br)cc2[O-])C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001461987050 1069930277 /nfs/dbraw/zinc/93/02/77/1069930277.db2.gz OFIKHWPMMYZGBG-CHWSQXEVSA-N -1 3 399.329 3.984 20 10 GHCDHM [O-]c1cc(O)c(CN2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)cc1Cl ZINC001232257945 1037979925 /nfs/dbraw/zinc/97/99/25/1037979925.db2.gz NDYCJYSAJLPSIH-PWIZWCRZSA-N -1 3 381.900 3.690 20 10 GHCDHM [O-]c1cc(I)ccc1CN1CCC[C@H]1c1ccccn1 ZINC001232978542 1038747776 /nfs/dbraw/zinc/74/77/76/1038747776.db2.gz JTGNATYOQYYVIA-HNNXBMFYSA-N -1 3 380.229 3.729 20 10 GHCDHM COc1cc([O-])c(CN(C)Cc2cnc(Cl)s2)cc1Br ZINC001233135055 1038916413 /nfs/dbraw/zinc/91/64/13/1038916413.db2.gz KMCUDWSILGIDCO-UHFFFAOYSA-N -1 3 377.691 3.905 20 10 GHCDHM COc1cc([O-])c(CN2CCCC[C@H]2c2noc(C)n2)cc1Br ZINC001233140777 1038919253 /nfs/dbraw/zinc/91/92/53/1038919253.db2.gz TYIFCQHXBDHJJU-ZDUSSCGKSA-N -1 3 382.258 3.582 20 10 GHCDHM COc1cc([O-])c(CN2CCOC[C@@H]2C2CCCCC2)cc1Br ZINC001233141120 1038920600 /nfs/dbraw/zinc/92/06/00/1038920600.db2.gz BCFOIQINAZVNIX-MRXNPFEDSA-N -1 3 384.314 3.944 20 10 GHCDHM COc1ccc(N2CCN(Cc3ccc(OC)c([O-])c3Cl)CC2)c(C)c1 ZINC001233401957 1039245789 /nfs/dbraw/zinc/24/57/89/1039245789.db2.gz VJOKOOUBSBSARU-UHFFFAOYSA-N -1 3 376.884 3.693 20 10 GHCDHM CC(C)(C)OC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2[O-])C[C@@H](F)C1 ZINC001233452249 1039334621 /nfs/dbraw/zinc/33/46/21/1039334621.db2.gz OYOITBNWSNQTTC-CQSZACIVSA-N -1 3 392.393 3.802 20 10 GHCDHM O=C1NCCN(Cc2ccc(C(F)(F)F)cc2[O-])[C@H]1c1ccc(Cl)cc1 ZINC001233455737 1039346992 /nfs/dbraw/zinc/34/69/92/1039346992.db2.gz WSMRARXROSXQSC-INIZCTEOSA-N -1 3 384.785 3.738 20 10 GHCDHM CC(C)OCCN(CCOC(C)C)Cc1cc(F)cc(Br)c1[O-] ZINC001235300803 1040771295 /nfs/dbraw/zinc/77/12/95/1040771295.db2.gz BVJYWNVKXVNCLF-UHFFFAOYSA-N -1 3 392.309 3.946 20 10 GHCDHM CC1(C(=O)N2CCCC2)CCN(Cc2cc(F)cc(Br)c2[O-])CC1 ZINC001235304553 1040777833 /nfs/dbraw/zinc/77/78/33/1040777833.db2.gz ZGYPOUBRPBBLRR-UHFFFAOYSA-N -1 3 399.304 3.518 20 10 GHCDHM [O-]c1cc(Cl)c(Cl)cc1CN1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001236791961 1041897234 /nfs/dbraw/zinc/89/72/34/1041897234.db2.gz CQINZJUDANBPCU-AYBZRNKSSA-N -1 3 395.286 3.905 20 10 GHCDHM [O-]c1cc(Cl)c(Cl)cc1CN1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC001236794319 1041899037 /nfs/dbraw/zinc/89/90/37/1041899037.db2.gz VQHHJBOLIUCITG-KUHUBIRLSA-N -1 3 395.286 3.621 20 10 GHCDHM COc1cc([O-])c(CN2CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001236799196 1041902463 /nfs/dbraw/zinc/90/24/63/1041902463.db2.gz SFBTYQGRCJQKJU-MLGOLLRUSA-N -1 3 384.904 3.789 20 10 GHCDHM O=C1CC2(CN1CC1CC1)CCN(Cc1cc(Cl)c(Cl)cc1[O-])CC2 ZINC001236804344 1041905891 /nfs/dbraw/zinc/90/58/91/1041905891.db2.gz RBHMFJUDZIRKGS-UHFFFAOYSA-N -1 3 383.319 3.924 20 10 GHCDHM COc1ccc(CN2CCC(Oc3ccc(Cl)nn3)CC2)c([O-])c1Cl ZINC001236806945 1041908071 /nfs/dbraw/zinc/90/80/71/1041908071.db2.gz LCHYRQMKSMHRII-UHFFFAOYSA-N -1 3 384.263 3.541 20 10 GHCDHM COc1ccc(O[C@H]2CCCN(Cc3ccc(OC)c(Cl)c3[O-])C2)nc1 ZINC001236810598 1041910378 /nfs/dbraw/zinc/91/03/78/1041910378.db2.gz VCKLOOAAGZZGHR-HNNXBMFYSA-N -1 3 378.856 3.501 20 10 GHCDHM COc1ccc(CN2CCC(c3noc(C(F)(F)F)n3)CC2)c([O-])c1Cl ZINC001236811741 1041911504 /nfs/dbraw/zinc/91/15/04/1041911504.db2.gz NSSLWJUCDVOQQM-UHFFFAOYSA-N -1 3 391.777 3.836 20 10 GHCDHM Cc1cc([O-])c(CN2CC3(C2)CN(C(=O)OC(C)(C)C)C3)cc1Br ZINC001237682540 1042323488 /nfs/dbraw/zinc/32/34/88/1042323488.db2.gz YJUDLWDIVCHCKX-UHFFFAOYSA-N -1 3 397.313 3.516 20 10 GHCDHM [O-]c1c(I)cccc1CN1CCC[C@H]1c1ccccn1 ZINC001237780720 1042365873 /nfs/dbraw/zinc/36/58/73/1042365873.db2.gz WECKMZQHUVXHBE-HNNXBMFYSA-N -1 3 380.229 3.729 20 10 GHCDHM Cc1nc(CN2CCC3(CN(Cc4cc(F)c(Cl)cc4[O-])C3)C2)cs1 ZINC001237938035 1042428687 /nfs/dbraw/zinc/42/86/87/1042428687.db2.gz RUDMGYNHZMSUJC-UHFFFAOYSA-N -1 3 381.904 3.658 20 10 GHCDHM O=S(=O)(NCc1cc(Cl)c2cccnc2c1[O-])c1ccc(Cl)s1 ZINC001256533419 1043467898 /nfs/dbraw/zinc/46/78/98/1043467898.db2.gz FYQFSBOLTPRKAF-UHFFFAOYSA-N -1 3 389.285 3.787 20 10 GHCDHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2C)cc1Br ZINC001261039996 1045859514 /nfs/dbraw/zinc/85/95/14/1045859514.db2.gz GGBVPYOEHLSQRC-UHFFFAOYSA-N -1 3 386.267 3.581 20 10 GHCDHM O=C(CNCc1cc(Cl)cc([N+](=O)[O-])c1[O-])Nc1cccc2ccccc21 ZINC000732231155 1048995099 /nfs/dbraw/zinc/99/50/99/1048995099.db2.gz IRHDGLKXHMCBHD-UHFFFAOYSA-N -1 3 385.807 3.835 20 10 GHCDHM C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(Br)cc1[O-] ZINC001308592677 1050023770 /nfs/dbraw/zinc/02/37/70/1050023770.db2.gz SQMQBFSBPYBDFQ-GFCCVEGCSA-N -1 3 385.302 3.596 20 10 GHCDHM COc1ccc(F)cc1CN1CCN(Cc2c([O-])cc(C)cc2Cl)CC1 ZINC001308652901 1050048250 /nfs/dbraw/zinc/04/82/50/1050048250.db2.gz ZSPNGUWLFXLCGW-UHFFFAOYSA-N -1 3 378.875 3.820 20 10 GHCDHM O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc2sccc2c([O-])c1 ZINC001441783416 1058862591 /nfs/dbraw/zinc/86/25/91/1058862591.db2.gz DCPHGBYGUDVQPE-UHFFFAOYSA-N -1 3 386.448 3.513 20 10 GHCDHM CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)NCc1c([O-])cccc1F ZINC001456029955 1062417900 /nfs/dbraw/zinc/41/79/00/1062417900.db2.gz PDFOMIFSGVERQK-HNNXBMFYSA-N -1 3 382.476 3.819 20 10 GHCDHM Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)cc1 ZINC001456385634 1062653081 /nfs/dbraw/zinc/65/30/81/1062653081.db2.gz PJBBKQXOLRZLRT-GFCCVEGCSA-N -1 3 377.370 3.722 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC(OC(C)C)CC1 ZINC001353729475 1066200754 /nfs/dbraw/zinc/20/07/54/1066200754.db2.gz SYLFTYHSUNUOES-UHFFFAOYSA-N -1 3 387.509 3.674 20 10 GHCDHM O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NCc1c([O-])cccc1F ZINC001471974949 1073287845 /nfs/dbraw/zinc/28/78/45/1073287845.db2.gz LYLBWCHHCGBTOH-HXUWFJFHSA-N -1 3 392.430 3.709 20 10 GHCDHM [O-]c1cc(Br)ccc1CN1CC(c2nc(-c3ccccc3)no2)C1 ZINC001474719502 1074532824 /nfs/dbraw/zinc/53/28/24/1074532824.db2.gz CJNIHLRWOWMDMC-UHFFFAOYSA-N -1 3 386.249 3.804 20 10 GHCDHM C[C@H](c1cccs1)N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)cc2)SC1=S ZINC000736204444 598359288 /nfs/dbraw/zinc/35/92/88/598359288.db2.gz RWBCUTZIRDKTOJ-GMROUXNLSA-N -1 3 399.526 3.891 20 10 GHCDHM C[C@H](c1cccs1)N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)cc2)SC1=S ZINC000736204444 598359290 /nfs/dbraw/zinc/35/92/90/598359290.db2.gz RWBCUTZIRDKTOJ-GMROUXNLSA-N -1 3 399.526 3.891 20 10 GHCDHM CC(C)(C)c1cnc(SCCC(=O)Nc2ccccc2-c2nnn[n-]2)s1 ZINC000819965810 607119850 /nfs/dbraw/zinc/11/98/50/607119850.db2.gz NZGOESKRLNRQSE-UHFFFAOYSA-N -1 3 388.522 3.742 20 10 GHCDHM CC(C)(C)c1cnc(SCCC(=O)Nc2ccccc2-c2nn[n-]n2)s1 ZINC000819965810 607119852 /nfs/dbraw/zinc/11/98/52/607119852.db2.gz NZGOESKRLNRQSE-UHFFFAOYSA-N -1 3 388.522 3.742 20 10 GHCDHM COc1c([O-])c(CNc2ccc(OC3CCOCC3)c(C)c2)ccc1[N+](=O)[O-] ZINC000278947604 842363900 /nfs/dbraw/zinc/36/39/00/842363900.db2.gz YXQWGBOWCTULTG-UHFFFAOYSA-N -1 3 388.420 3.787 20 10 GHCDHM O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)[N-]OC1CCCC1 ZINC000272105924 846991929 /nfs/dbraw/zinc/99/19/29/846991929.db2.gz MNAMLVSXBOGZLJ-KAMYIIQDSA-N -1 3 396.559 3.720 20 10 GHCDHM COC(=O)CN(Cc1cc(Cl)nc(Cl)c1)Cc1cc(Cl)ccc1[O-] ZINC000731844544 861903865 /nfs/dbraw/zinc/90/38/65/861903865.db2.gz FLWOTNUQUNDPKM-UHFFFAOYSA-N -1 3 389.666 3.923 20 10 GHCDHM [O-]c1c(Br)cc(Cl)cc1CN(CCCO)Cc1ccccn1 ZINC000894771155 852136885 /nfs/dbraw/zinc/13/68/85/852136885.db2.gz WFSZQPWSSRGXSA-UHFFFAOYSA-N -1 3 385.689 3.588 20 10 GHCDHM C[C@H](OC(=O)Nc1ccccc1)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001143583120 854417984 /nfs/dbraw/zinc/41/79/84/854417984.db2.gz SWEUJXDKJBVMNJ-LBPRGKRZSA-N -1 3 399.834 3.847 20 10 GHCDHM CC[C@H](C)NS(=O)(=O)Cc1cccc(N[C@H](C)c2ccc(F)cc2[O-])c1 ZINC000186492578 856420919 /nfs/dbraw/zinc/42/09/19/856420919.db2.gz LAIORHKHOFGGAC-UONOGXRCSA-N -1 3 380.485 3.922 20 10 GHCDHM CCN(Cc1cn(-c2ccccc2)nn1)Cc1cc(Br)ccc1[O-] ZINC000743874669 868471457 /nfs/dbraw/zinc/47/14/57/868471457.db2.gz YDWZWJVOHABPFD-UHFFFAOYSA-N -1 3 387.281 3.758 20 10 GHCDHM Cn1nccc1-c1cccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001192306229 870307055 /nfs/dbraw/zinc/30/70/55/870307055.db2.gz PFZYAMPVJZVPQC-UHFFFAOYSA-N -1 3 392.846 3.924 20 10 GHCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1coc(C2CCC2)n1 ZINC000768077126 873071884 /nfs/dbraw/zinc/07/18/84/873071884.db2.gz FAXUTJWOWLDLGG-INIZCTEOSA-N -1 3 389.883 3.696 20 10 GHCDHM C[C@H]1CN(Cc2cccc(Br)c2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000769422388 874039771 /nfs/dbraw/zinc/03/97/71/874039771.db2.gz BLTXTBIJQSBWLS-SWLSCSKDSA-N -1 3 399.329 3.890 20 10 GHCDHM O=S(=O)(NCc1cc(Cl)c2cccnc2c1[O-])c1ccc2occc2c1 ZINC001198882187 874697300 /nfs/dbraw/zinc/69/73/00/874697300.db2.gz LMUJVCXEPDRXKT-UHFFFAOYSA-N -1 3 388.832 3.819 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cnc(C2CC2)s1 ZINC000771059412 875014087 /nfs/dbraw/zinc/01/40/87/875014087.db2.gz QUVRZWQQHDSGSH-OAHLLOKOSA-N -1 3 391.924 3.774 20 10 GHCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(O)(Cc3ccc(F)cc3)CC2)c1[O-] ZINC000775996200 875088413 /nfs/dbraw/zinc/08/84/13/875088413.db2.gz LAVHKJDPOGOUGC-UHFFFAOYSA-N -1 3 394.830 3.663 20 10 GHCDHM CCCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000772179439 875736279 /nfs/dbraw/zinc/73/62/79/875736279.db2.gz RRXLNHOVGMPYCJ-QGZVFWFLSA-N -1 3 391.811 3.939 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2cccc(N3CCNC3=O)c2C)c1 ZINC000785556694 876107169 /nfs/dbraw/zinc/10/71/69/876107169.db2.gz MHMUXWAFQBZFFN-UHFFFAOYSA-N -1 3 390.281 3.913 20 10 GHCDHM C[C@H](NCc1cnc(C(F)(F)F)nc1)c1cc(Br)c(F)cc1[O-] ZINC000850485700 876960098 /nfs/dbraw/zinc/96/00/98/876960098.db2.gz MUZMZROISVSRLM-ZETCQYMHSA-N -1 3 394.166 3.953 20 10 GHCDHM C[C@H](NCc1c(C(F)(F)F)cnn1C)c1cc(Br)c(F)cc1[O-] ZINC000858452590 883109538 /nfs/dbraw/zinc/10/95/38/883109538.db2.gz MECZPWVDIWAASD-ZETCQYMHSA-N -1 3 396.182 3.897 20 10 GHCDHM Cc1cc(C(=O)COC(=O)c2cnn[n-]2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000805606910 883908607 /nfs/dbraw/zinc/90/86/07/883908607.db2.gz CSILAPPIZLHJGX-UHFFFAOYSA-N -1 3 393.230 3.559 20 10 GHCDHM Cc1cc(C(=O)COC(=O)c2c[n-]nn2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000805606910 883908621 /nfs/dbraw/zinc/90/86/21/883908621.db2.gz CSILAPPIZLHJGX-UHFFFAOYSA-N -1 3 393.230 3.559 20 10 GHCDHM CN(Cc1cn(C)nc1C(F)(F)F)Cc1c([O-])cccc1Br ZINC000862252068 886255694 /nfs/dbraw/zinc/25/56/94/886255694.db2.gz BDDKMAVZYQDCLH-UHFFFAOYSA-N -1 3 378.192 3.539 20 10 GHCDHM C[C@H]1c2nnc(C3CCCC3)n2CCN1Cc1ccc(Br)cc1[O-] ZINC000825940056 893502061 /nfs/dbraw/zinc/50/20/61/893502061.db2.gz KOXJRPINLONBJA-LBPRGKRZSA-N -1 3 391.313 3.981 20 10 GHCDHM O=C(Nc1ccccc1O)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816482885 894852354 /nfs/dbraw/zinc/85/23/54/894852354.db2.gz XMXDOBJWKZDIKD-UHFFFAOYSA-N -1 3 378.831 3.741 20 10 GHCDHM Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3cc(Cl)c(F)cc3[O-])C2)n1 ZINC000816488932 894857205 /nfs/dbraw/zinc/85/72/05/894857205.db2.gz IGDCXRCFHPAKAE-CYBMUJFWSA-N -1 3 377.847 3.739 20 10 GHCDHM CC[C@@H](CS(=O)(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)OC ZINC000817348193 895512031 /nfs/dbraw/zinc/51/20/31/895512031.db2.gz HXWFHJUFWLGWJC-ZDUSSCGKSA-N -1 3 392.502 3.836 20 10 GHCDHM COc1ccc(N2CC[C@@H](CNC(=O)CCCc3ccc([O-])c(F)c3)C2)cc1 ZINC000819590762 896841575 /nfs/dbraw/zinc/84/15/75/896841575.db2.gz YUPJKYQEYTZPQL-KRWDZBQOSA-N -1 3 386.467 3.505 20 10 GHCDHM Cc1c(F)cccc1S(=O)(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001185850930 914139880 /nfs/dbraw/zinc/13/98/80/914139880.db2.gz NCLINVLXTVEQRO-UHFFFAOYSA-N -1 3 380.828 3.520 20 10 GHCDHM CCS[C@H](C)c1noc(CN(C)Cc2ccc(Br)cc2[O-])n1 ZINC000824933251 899895280 /nfs/dbraw/zinc/89/52/80/899895280.db2.gz CLEFGAGJDSSRNQ-SNVBAGLBSA-N -1 3 386.315 3.984 20 10 GHCDHM [O-]c1cc(F)c(Br)cc1CN1CCCN(c2ccc(F)cn2)CC1 ZINC001144299002 901646754 /nfs/dbraw/zinc/64/67/54/901646754.db2.gz OIKXTTUMBFZISM-UHFFFAOYSA-N -1 3 398.251 3.540 20 10 GHCDHM [O-]c1cc(F)c(Br)cc1CN1CCC[C@@H](Oc2ccncc2)C1 ZINC001144307725 901698296 /nfs/dbraw/zinc/69/82/96/901698296.db2.gz GOZXIJSIDAMYTE-CQSZACIVSA-N -1 3 381.245 3.732 20 10 GHCDHM COc1cccc(CN(C)Cc2cc(Br)c(F)cc2[O-])c1OC ZINC001144307798 901699417 /nfs/dbraw/zinc/69/94/17/901699417.db2.gz HWMSRJIUNCWDPO-UHFFFAOYSA-N -1 3 384.245 3.943 20 10 GHCDHM O=C(NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1cccc(O)c1[O-] ZINC000188414075 904919927 /nfs/dbraw/zinc/91/99/27/904919927.db2.gz DJTMRSKLRSQCTA-UHFFFAOYSA-N -1 3 399.450 3.940 20 10 GHCDHM Cc1nc(SC(F)(F)F)sc1CC(=O)NCc1c([O-])cccc1F ZINC001178413515 909049493 /nfs/dbraw/zinc/04/94/93/909049493.db2.gz UAKNDAZUEVFGEI-UHFFFAOYSA-N -1 3 380.388 3.767 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1CCC(=O)c2ccccc21 ZINC001178929529 909293423 /nfs/dbraw/zinc/29/34/23/909293423.db2.gz SEYHJGYEGXLLIJ-OAHLLOKOSA-N -1 3 380.831 3.970 20 10 GHCDHM O=C(c1cc2occc2s1)N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001179874183 909796009 /nfs/dbraw/zinc/79/60/09/909796009.db2.gz UKWIZDBHJSVZSS-UHFFFAOYSA-N -1 3 376.865 3.811 20 10 GHCDHM CCS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000284412701 911854879 /nfs/dbraw/zinc/85/48/79/911854879.db2.gz QPRXXMIFUBNKJB-STQMWFEESA-N -1 3 378.450 3.506 20 10 GHCDHM COc1ccc(NC(=O)NCc2cc(Cl)c3cccnc3c2[O-])c(OC)c1 ZINC001188567398 916033481 /nfs/dbraw/zinc/03/34/81/916033481.db2.gz UCHLSRUQJXBFNG-UHFFFAOYSA-N -1 3 387.823 3.933 20 10 GHCDHM CC(C)[C@H](N[C@H](C)c1cc(Br)cc(Cl)c1[O-])c1nncn1C ZINC000903065624 922741872 /nfs/dbraw/zinc/74/18/72/922741872.db2.gz RIOQPTRDKXHDTH-RNCFNFMXSA-N -1 3 387.709 3.985 20 10 GHCDHM COC(=O)c1cnc([C@@H]2CCCN(Cc3c([O-])ccc(Cl)c3F)C2)s1 ZINC000827950646 926374421 /nfs/dbraw/zinc/37/44/21/926374421.db2.gz SYDUHMQFCKMTOE-SNVBAGLBSA-N -1 3 384.860 3.807 20 10 GHCDHM CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(C)c(O)c3[O-])n2)cc1 ZINC000751533768 928236036 /nfs/dbraw/zinc/23/60/36/928236036.db2.gz RROCHUYXBADHOL-UHFFFAOYSA-N -1 3 383.429 3.740 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(C)c(-c3nnnn3C3CC3)c2)c1 ZINC000757655032 929760516 /nfs/dbraw/zinc/76/05/16/929760516.db2.gz BXMCIWOIFUVBDJ-ZDUSSCGKSA-N -1 3 393.447 3.649 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)c([O-])c1O ZINC000780890984 930629657 /nfs/dbraw/zinc/62/96/57/930629657.db2.gz KMCPPSFFMJIQSS-UHFFFAOYSA-N -1 3 375.274 3.861 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCN(Cc3cccs3)CC2)c1 ZINC000781895177 931015649 /nfs/dbraw/zinc/01/56/49/931015649.db2.gz PMPKXSHMIFYYEY-UHFFFAOYSA-N -1 3 381.339 3.842 20 10 GHCDHM Cc1nc(N2CCN(Cc3cc(C)cc(Br)c3[O-])CC2)sc1C ZINC000781907892 931023793 /nfs/dbraw/zinc/02/37/93/931023793.db2.gz GWKLDTXZFDUUEQ-UHFFFAOYSA-N -1 3 396.354 3.859 20 10 GHCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1ncc(Cl)cc1Cl ZINC000777613826 932413044 /nfs/dbraw/zinc/41/30/44/932413044.db2.gz ROCOWSYNGVLQMN-UHFFFAOYSA-N -1 3 389.666 3.923 20 10 GHCDHM [O-]c1cccc(Cl)c1CNc1cnc(N2CCOCC2)c(Br)c1 ZINC000798430960 932644043 /nfs/dbraw/zinc/64/40/43/932644043.db2.gz VKKGNXGCAPFHQS-UHFFFAOYSA-N -1 3 398.688 3.652 20 10 GHCDHM COc1cc(Cl)cc(C[NH2+][C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c1[O-] ZINC001599420991 997594901 /nfs/dbraw/zinc/59/49/01/997594901.db2.gz VEZBHOWPZGUVQX-AWEZNQCLSA-N -1 3 389.757 3.989 20 10 GHCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@@H]1CCN(Cc2ccccc2)C1 ZINC001227937173 1032705315 /nfs/dbraw/zinc/70/53/15/1032705315.db2.gz DJILNLNUCGGLMZ-LJQANCHMSA-N -1 3 389.451 3.982 20 10 GHCDHM COC(=O)C[C@H]1CCC[C@H](Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)C1 ZINC001227940965 1032706991 /nfs/dbraw/zinc/70/69/91/1032706991.db2.gz PSFBFRMWOULVFU-HOCLYGCPSA-N -1 3 384.428 3.830 20 10 GHCDHM C[C@@H]1[C@H](Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)CN1C(=O)OC(C)(C)C ZINC001227940587 1032707062 /nfs/dbraw/zinc/70/70/62/1032707062.db2.gz MXIUNZCGSUKSGR-CXAGYDPISA-N -1 3 399.443 3.715 20 10 GHCDHM CCOC(=O)[C@@H]1c2ccc(OC)cc2CCN1Cc1c([O-])cccc1Cl ZINC001140342282 1021455593 /nfs/dbraw/zinc/45/55/93/1021455593.db2.gz BBRVTLUPSLAGSL-IBGZPJMESA-N -1 3 375.852 3.717 20 10 GHCDHM CCOC[C@@H]1CN(Cc2ccc(Cl)cc2[O-])Cc2nn(CC3CC3)cc21 ZINC001140463256 1021753635 /nfs/dbraw/zinc/75/36/35/1021753635.db2.gz YDILLXXQMGYGAL-INIZCTEOSA-N -1 3 375.900 3.788 20 10 GHCDHM CCOC[C@H]1CN(Cc2ccc(Cl)cc2[O-])Cc2c1cnn2CC1CC1 ZINC001140466379 1021760908 /nfs/dbraw/zinc/76/09/08/1021760908.db2.gz CSFPXFUUUPMPDI-MRXNPFEDSA-N -1 3 375.900 3.788 20 10 GHCDHM C[C@@H](NCc1ccnc(N(C)C)n1)c1cc(Br)cc(Cl)c1[O-] ZINC000756788827 1023816431 /nfs/dbraw/zinc/81/64/31/1023816431.db2.gz DAVYQYHSHUZOHN-SECBINFHSA-N -1 3 385.693 3.515 20 10 GHCDHM [O-]c1cccnc1CN1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001138397429 1024774814 /nfs/dbraw/zinc/77/48/14/1024774814.db2.gz RQUYBVVYYLYZNC-UHFFFAOYSA-N -1 3 375.472 3.688 20 10 GHCDHM Cc1cc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c(C)n1-c1cccc(Cl)c1 ZINC001164322569 1026484626 /nfs/dbraw/zinc/48/46/26/1026484626.db2.gz PSVZSOAYGXDIPR-AWEZNQCLSA-N -1 3 384.867 3.806 20 10 GHCDHM CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCCN2Cc1c([O-])cccc1Br ZINC001140100033 1026878344 /nfs/dbraw/zinc/87/83/44/1026878344.db2.gz BQUXNQVZJYSECI-CABCVRRESA-N -1 3 397.313 3.738 20 10 GHCDHM O=C(c1ccsc1)N1C[C@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]2C1 ZINC001203577248 1027445543 /nfs/dbraw/zinc/44/55/43/1027445543.db2.gz AUXHJWCVCNLYRR-ZIAGYGMSSA-N -1 3 397.327 3.965 20 10 GHCDHM CCn1cc(CN(Cc2c(C)nn(C)c2C)Cc2cc(Cl)ccc2[O-])cn1 ZINC001203658336 1027513871 /nfs/dbraw/zinc/51/38/71/1027513871.db2.gz RXUOUVXPWUYAMD-UHFFFAOYSA-N -1 3 387.915 3.815 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC001214904375 1028960082 /nfs/dbraw/zinc/96/00/82/1028960082.db2.gz VELNZBZZCXSQKE-UHFFFAOYSA-N -1 3 385.439 3.916 20 10 GHCDHM Cc1cc(C(=O)CSCc2nc(C)cc(=O)[n-]2)c(C)n1-c1ccc(F)cn1 ZINC000842174943 1029123962 /nfs/dbraw/zinc/12/39/62/1029123962.db2.gz KJTNQPLUVURUFG-UHFFFAOYSA-N -1 3 386.452 3.548 20 10 GHCDHM Cc1cc(CNC(=O)c2nnc3ccccc3c2[O-])c(C)n1-c1cccc(C)c1 ZINC001151154637 1030785310 /nfs/dbraw/zinc/78/53/10/1030785310.db2.gz XPCLWWNETAMOFA-UHFFFAOYSA-N -1 3 386.455 3.981 20 10 GHCDHM C[C@@H]1NC[C@H]1Oc1cc2c(-c3ccccc3)c3cc(O)c([O-])cc3oc-2cc1=O ZINC001218386472 1030915655 /nfs/dbraw/zinc/91/56/55/1030915655.db2.gz NFHDFRCOAFMEBV-AMXDTQDGSA-N -1 3 389.407 3.715 20 10 GHCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC001153903901 1031802964 /nfs/dbraw/zinc/80/29/64/1031802964.db2.gz OKWJGKYRMJOGCW-UHFFFAOYSA-N -1 3 383.879 3.910 20 10 GHCDHM COc1cc(I)ccc1NCc1cc(F)c(F)cc1[O-] ZINC001205973796 1033661920 /nfs/dbraw/zinc/66/19/20/1033661920.db2.gz GRNCJAHIGMTIRK-UHFFFAOYSA-N -1 3 391.155 3.896 20 10 GHCDHM COC(=O)c1ccc2ncnc(NCc3cc(Cl)c4cccnc4c3[O-])c2c1 ZINC001157724018 1033740615 /nfs/dbraw/zinc/74/06/15/1033740615.db2.gz JPESYZKRJFRSJR-UHFFFAOYSA-N -1 3 394.818 3.936 20 10 GHCDHM O=C(c1ccnc(NCc2cc(Cl)c3cccnc3c2[O-])c1)N1CCCC1 ZINC001157726035 1033741854 /nfs/dbraw/zinc/74/18/54/1033741854.db2.gz AWZDHYSDCFUDCE-UHFFFAOYSA-N -1 3 382.851 3.837 20 10 GHCDHM Cc1cc([O-])c(CN(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)c(Cl)c1 ZINC001461876230 1069823356 /nfs/dbraw/zinc/82/33/56/1069823356.db2.gz WTFDIYWRLLMMEF-OAHLLOKOSA-N -1 3 386.300 3.968 20 10 GHCDHM Cc1cc([O-])c(CN2CCO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1Cl ZINC001207868909 1034630771 /nfs/dbraw/zinc/63/07/71/1034630771.db2.gz LDODQTDOLMGONM-HXUWFJFHSA-N -1 3 396.915 3.566 20 10 GHCDHM COc1cc([O-])c(CN2CC[C@H](C)N(C(=O)OC(C)(C)C)CC2)cc1Cl ZINC001232266433 1037988286 /nfs/dbraw/zinc/98/82/86/1037988286.db2.gz OGQYPDFIVZOYCI-ZDUSSCGKSA-N -1 3 384.904 3.886 20 10 GHCDHM O=C(Cc1ccsc1)N1C[C@H]2CC[C@@H](C1)N2Cc1c([O-])cccc1Cl ZINC001278490508 1038285607 /nfs/dbraw/zinc/28/56/07/1038285607.db2.gz HPVPWURICZLHCB-GASCZTMLSA-N -1 3 376.909 3.525 20 10 GHCDHM [O-]c1cc(Br)cc(F)c1CN1C[C@@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC001233034011 1038787725 /nfs/dbraw/zinc/78/77/25/1038787725.db2.gz ZIGUQLQQYSDXCC-OKILXGFUSA-N -1 3 391.284 3.862 20 10 GHCDHM [O-]c1cccc(CN2CCN(c3ccc(OCc4cccnc4)cc3)CC2)c1F ZINC001233055144 1038815691 /nfs/dbraw/zinc/81/56/91/1038815691.db2.gz LITSPHRRTQZHHD-UHFFFAOYSA-N -1 3 393.462 3.828 20 10 GHCDHM COc1ccc2c(c1)CCN(Cc1cc(Br)c(OC)cc1[O-])C2 ZINC001233135751 1038917462 /nfs/dbraw/zinc/91/74/62/1038917462.db2.gz ZOESENXMLAGLHM-UHFFFAOYSA-N -1 3 378.266 3.730 20 10 GHCDHM O=C(c1ccco1)N1CCCC12CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233332979 1039129432 /nfs/dbraw/zinc/12/94/32/1039129432.db2.gz FIIUQTWBXCOJLD-UHFFFAOYSA-N -1 3 376.403 3.534 20 10 GHCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001233333106 1039131242 /nfs/dbraw/zinc/13/12/42/1039131242.db2.gz JVKXGWVPKOLTJL-WIYYLYMNSA-N -1 3 390.430 3.516 20 10 GHCDHM COC[C@H]1CN(Cc2ccc(C(F)(F)F)cc2[O-])Cc2nn(CC3CC3)cc21 ZINC001233452952 1039337132 /nfs/dbraw/zinc/33/71/32/1039337132.db2.gz PHYZZNORJLEVBG-OAHLLOKOSA-N -1 3 395.425 3.763 20 10 GHCDHM Cc1ccc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3[O-])CC2)cc1 ZINC001233454792 1039342980 /nfs/dbraw/zinc/34/29/80/1039342980.db2.gz KHCZFMDZZFQAHN-UHFFFAOYSA-N -1 3 378.394 3.677 20 10 GHCDHM O=c1c2cc(O)c(O)cc2oc2cc([O-])cc(O[C@H]3COCc4ccccc43)c12 ZINC001234748278 1040273913 /nfs/dbraw/zinc/27/39/13/1040273913.db2.gz IDOSCCMHMWFQTD-FQEVSTJZSA-N -1 3 392.363 3.713 20 10 GHCDHM O=c1c2cc(O)c([O-])cc2oc2cc([O-])cc(O[C@@H]3CCCc4cccnc43)c12 ZINC001234748912 1040274309 /nfs/dbraw/zinc/27/43/09/1040274309.db2.gz NIYWYNKYFWNTMJ-MRXNPFEDSA-N -1 3 391.379 3.914 20 10 GHCDHM O=c1c2cc(O)c(O)cc2oc2cc([O-])cc(O[C@@H]3CCCc4cccnc43)c12 ZINC001234748912 1040274325 /nfs/dbraw/zinc/27/43/25/1040274325.db2.gz NIYWYNKYFWNTMJ-MRXNPFEDSA-N -1 3 391.379 3.914 20 10 GHCDHM [O-]c1c(Br)cc(F)cc1CN1CC[C@@H](N2CCCCC2)[C@@H](F)C1 ZINC001235307877 1040782050 /nfs/dbraw/zinc/78/20/50/1040782050.db2.gz MIAKXNVVQZTQKR-JKSUJKDBSA-N -1 3 389.284 3.692 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC(NC(=O)C3CCCC3)CC2)c1 ZINC001236666947 1041815214 /nfs/dbraw/zinc/81/52/14/1041815214.db2.gz YGQLHSXCBLGTNC-UHFFFAOYSA-N -1 3 395.341 3.734 20 10 GHCDHM CC(C)Oc1ncnc2c1CCN(Cc1cc(Cl)c(Cl)cc1[O-])CC2 ZINC001236789336 1041895579 /nfs/dbraw/zinc/89/55/79/1041895579.db2.gz DUOGUSYXDUJKGO-UHFFFAOYSA-N -1 3 382.291 3.877 20 10 GHCDHM COc1ccc(CN2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)c([O-])c1Cl ZINC001236802305 1041904036 /nfs/dbraw/zinc/90/40/36/1041904036.db2.gz SFRCVJJIZJACFQ-JLTOFOAXSA-N -1 3 396.915 3.933 20 10 GHCDHM COc1cc([O-])c(CN2C[C@H](NC(=O)OC(C)(C)C)CC[C@H]2C)c(Cl)c1 ZINC001236803414 1041905941 /nfs/dbraw/zinc/90/59/41/1041905941.db2.gz NSSZRPUFQLKVEP-CHWSQXEVSA-N -1 3 384.904 3.932 20 10 GHCDHM COc1ccc(CN2CCC(C)(NC(=O)OC(C)(C)C)CC2)c([O-])c1Cl ZINC001236812436 1041912239 /nfs/dbraw/zinc/91/22/39/1041912239.db2.gz VRRHAKRCPSCDMH-UHFFFAOYSA-N -1 3 384.904 3.933 20 10 GHCDHM [O-]c1ccc(F)c(Cl)c1CN1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001237125015 1042052626 /nfs/dbraw/zinc/05/26/26/1042052626.db2.gz QLIUYSNZZBUFOH-JLTOFOAXSA-N -1 3 392.858 3.782 20 10 GHCDHM Cc1cc([O-])c(CN2CCn3cc(C(F)(F)F)nc3C2)cc1Br ZINC001237678043 1042319219 /nfs/dbraw/zinc/31/92/19/1042319219.db2.gz HYECGDOKRFBURF-UHFFFAOYSA-N -1 3 390.203 3.694 20 10 GHCDHM [O-]c1c(I)cccc1CN1CCC[C@@H]1c1ccccn1 ZINC001237780721 1042365419 /nfs/dbraw/zinc/36/54/19/1042365419.db2.gz WECKMZQHUVXHBE-OAHLLOKOSA-N -1 3 380.229 3.729 20 10 GHCDHM [O-]c1c(Cl)cc(F)cc1CN1CCN2C[C@H](Oc3ccccc3)C[C@@H]2C1 ZINC001237801512 1042377485 /nfs/dbraw/zinc/37/74/85/1042377485.db2.gz UQTSCTRSHOZWSN-SJLPKXTDSA-N -1 3 376.859 3.522 20 10 GHCDHM CC(C)(C)OC(=O)N1CCC2(CN(Cc3ccc(Br)cc3[O-])C2)C1 ZINC001308977726 1050239145 /nfs/dbraw/zinc/23/91/45/1050239145.db2.gz NKHOHYDSTONWNO-UHFFFAOYSA-N -1 3 397.313 3.598 20 10 GHCDHM COc1ccc(N2CCCN(C(=O)c3cc([O-])cc(C(F)(F)F)c3)CC2)cc1 ZINC001329507765 1050823825 /nfs/dbraw/zinc/82/38/25/1050823825.db2.gz UZJWGFBBJRTIHG-UHFFFAOYSA-N -1 3 394.393 3.772 20 10 GHCDHM Cc1cc([C@@H](NCc2ccc(N3CCOCC3)c(F)c2)C(=O)[O-])ccc1Cl ZINC000756362025 1051049179 /nfs/dbraw/zinc/04/91/79/1051049179.db2.gz MSIOMUPQSJTWBO-LJQANCHMSA-N -1 3 392.858 3.540 20 10 GHCDHM Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)[N-]N2C(=O)c3ccccc3C2=O)c1 ZINC001325611319 1057345736 /nfs/dbraw/zinc/34/57/36/1057345736.db2.gz SFFNEZSDZZPLCS-UHFFFAOYSA-N -1 3 393.830 3.689 20 10 GHCDHM O=C(c1c([O-])c(O)ccc1F)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC001457661014 1063298448 /nfs/dbraw/zinc/29/84/48/1063298448.db2.gz WJTNANARFJMRAZ-UHFFFAOYSA-N -1 3 398.478 3.898 20 10 GHCDHM Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001468756888 1067863415 /nfs/dbraw/zinc/86/34/15/1067863415.db2.gz SVBKTONVYVBBIF-UHFFFAOYSA-N -1 3 378.461 3.512 20 10 GHCDHM Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001468756888 1067863420 /nfs/dbraw/zinc/86/34/20/1067863420.db2.gz SVBKTONVYVBBIF-UHFFFAOYSA-N -1 3 378.461 3.512 20 10 GHCDHM Cc1cc(C(=O)N(C(C)C)C2CCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227097 598953483 /nfs/dbraw/zinc/95/34/83/598953483.db2.gz IIKXRUXUQSMBIZ-UHFFFAOYSA-N -1 3 378.480 3.677 20 10 GHCDHM Cc1c(Cl)cccc1NNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737216694 598320820 /nfs/dbraw/zinc/32/08/20/598320820.db2.gz WKHWJBDCQZIQMH-UHFFFAOYSA-N -1 3 394.291 3.795 20 10 GHCDHM Cc1c(Cl)cccc1NNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737216694 598320822 /nfs/dbraw/zinc/32/08/22/598320822.db2.gz WKHWJBDCQZIQMH-UHFFFAOYSA-N -1 3 394.291 3.795 20 10 GHCDHM Cc1cc(C(=O)N(C)Cc2ccccc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227758 598609023 /nfs/dbraw/zinc/60/90/23/598609023.db2.gz QXHCJCGRDFDLML-UHFFFAOYSA-N -1 3 386.459 3.546 20 10 GHCDHM Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)SC1=S ZINC000822361866 606393906 /nfs/dbraw/zinc/39/39/06/606393906.db2.gz JNSFAKXRZRHSDJ-JYRVWZFOSA-N -1 3 385.499 3.642 20 10 GHCDHM CCOC(=O)c1sc2[n-]c([C@@H](C)Sc3nccs3)nc(=O)c2c1C ZINC000052913999 835808177 /nfs/dbraw/zinc/80/81/77/835808177.db2.gz PINWOMWEGUMATB-MRVPVSSYSA-N -1 3 381.504 3.780 20 10 GHCDHM CN(C)c1ccc(CN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)C2CC2)cc1 ZINC000892315215 848617517 /nfs/dbraw/zinc/61/75/17/848617517.db2.gz QKEMGIZUAOPZIZ-UHFFFAOYSA-N -1 3 397.425 3.677 20 10 GHCDHM CCN(Cc1nc(-c2ccco2)no1)Cc1cc(Br)ccc1[O-] ZINC000174426712 865768147 /nfs/dbraw/zinc/76/81/47/865768147.db2.gz BOUAWRWYAUKEJI-UHFFFAOYSA-N -1 3 378.226 3.820 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c1[O-] ZINC000766267163 866386998 /nfs/dbraw/zinc/38/69/98/866386998.db2.gz QEQMSYOFNQCJHO-SFHVURJKSA-N -1 3 395.377 3.909 20 10 GHCDHM O=C(Nc1ccccc1O)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775645962 872271351 /nfs/dbraw/zinc/27/13/51/872271351.db2.gz CFESRBOAEDIVKC-UHFFFAOYSA-N -1 3 378.831 3.741 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1[O-] ZINC000177026877 882728144 /nfs/dbraw/zinc/72/81/44/882728144.db2.gz HICCPQVBHHWSGK-AWEZNQCLSA-N -1 3 392.927 3.719 20 10 GHCDHM COC(=O)c1ccc([C@@H](NCc2cc(F)cc(C(C)=O)c2[O-])C(F)(F)F)cc1 ZINC000775750663 873502728 /nfs/dbraw/zinc/50/27/28/873502728.db2.gz KKIUSISEHIYCDL-QGZVFWFLSA-N -1 3 399.340 3.914 20 10 GHCDHM CC[C@H](NC(c1nccn1C)c1nccn1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000527947837 873792814 /nfs/dbraw/zinc/79/28/14/873792814.db2.gz OCFACNSNINAOFO-AWEZNQCLSA-N -1 3 393.413 3.708 20 10 GHCDHM Cc1noc(C(F)(F)F)c1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001197602020 873935330 /nfs/dbraw/zinc/93/53/30/873935330.db2.gz BKPZJZHRMXLIES-UHFFFAOYSA-N -1 3 385.729 3.839 20 10 GHCDHM Cc1ccccc1[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(C)(C)C ZINC000769958816 874365779 /nfs/dbraw/zinc/36/57/79/874365779.db2.gz GGHSSXPYEPALEH-SFHVURJKSA-N -1 3 390.505 3.589 20 10 GHCDHM Cc1ccc2oc(C(=O)N[C@H]3CCCN(Cc4cc(Cl)ccc4[O-])C3)cc2n1 ZINC000771053074 875012781 /nfs/dbraw/zinc/01/27/81/875012781.db2.gz KKQXGQGNACWBHJ-INIZCTEOSA-N -1 3 399.878 3.890 20 10 GHCDHM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(Oc3ccncc3)cc2)ccc1O ZINC001201620362 875795948 /nfs/dbraw/zinc/79/59/48/875795948.db2.gz VEJUVTSNRUQUGB-UHFFFAOYSA-N -1 3 384.413 3.583 20 10 GHCDHM COc1ccccc1NC(=O)Nc1ccc([O-])c2c1C(=O)c1ccccc1C2=O ZINC001202128122 876013056 /nfs/dbraw/zinc/01/30/56/876013056.db2.gz PFYNGZJVJILGOI-UHFFFAOYSA-N -1 3 388.379 3.820 20 10 GHCDHM CC(C)(C)c1ncc2c(n1)CCN(Cc1cc(Br)ccc1[O-])C2 ZINC000529641192 876431158 /nfs/dbraw/zinc/43/11/58/876431158.db2.gz JPWYLJIRUWWLSQ-UHFFFAOYSA-N -1 3 376.298 3.801 20 10 GHCDHM COC[C@@H](c1ccc(Cl)cc1)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000787332084 877319675 /nfs/dbraw/zinc/31/96/75/877319675.db2.gz LGRJGUCXMDOWQA-INIZCTEOSA-N -1 3 380.828 3.782 20 10 GHCDHM Cc1cc([O-])c(CN2CC(O)(c3ccc(Br)cc3)C2)cc1Cl ZINC001183066300 912258698 /nfs/dbraw/zinc/25/86/98/912258698.db2.gz WQRATPOKBOKSMO-UHFFFAOYSA-N -1 3 382.685 3.820 20 10 GHCDHM CC(C)(C)NC(=O)N1CCN(Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000774569611 912282418 /nfs/dbraw/zinc/28/24/18/912282418.db2.gz KZTCNEKGZYHEKQ-UHFFFAOYSA-N -1 3 381.476 3.917 20 10 GHCDHM COC1CCN(c2ccc(CN3CCc4c(cccc4C(=O)[O-])C3)cc2)CC1 ZINC000851706736 877871450 /nfs/dbraw/zinc/87/14/50/877871450.db2.gz HHIQZVVPOQKIRT-UHFFFAOYSA-N -1 3 380.488 3.558 20 10 GHCDHM C[C@@H](NCc1c([O-])ccc(Cl)c1F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000790955604 880097818 /nfs/dbraw/zinc/09/78/18/880097818.db2.gz UUCDPCPOLDNGLW-CYBMUJFWSA-N -1 3 391.874 3.902 20 10 GHCDHM COC(=O)c1cn2c(cccc2NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168524269 884581965 /nfs/dbraw/zinc/58/19/65/884581965.db2.gz YLJJVBAKZPYHGU-UHFFFAOYSA-N -1 3 382.807 3.640 20 10 GHCDHM COC(=O)c1ncc(NCc2cc(C)cc(Br)c2[O-])cc1Cl ZINC000795807402 912858661 /nfs/dbraw/zinc/85/86/61/912858661.db2.gz DHAPTPWCNAXRBU-UHFFFAOYSA-N -1 3 385.645 3.910 20 10 GHCDHM CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2Cc3ccccc3[C@@H](C)C2)c1 ZINC000915838904 887687139 /nfs/dbraw/zinc/68/71/39/887687139.db2.gz RBAAMXQZTFJYKV-KRWDZBQOSA-N -1 3 394.515 3.546 20 10 GHCDHM O=[N+]([O-])c1cc(Cl)cc(CN(CCc2ccccn2)Cc2ccncc2)c1[O-] ZINC000809764264 887806913 /nfs/dbraw/zinc/80/69/13/887806913.db2.gz VVAUWOSBZGIVLO-UHFFFAOYSA-N -1 3 398.850 3.989 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC3(C2)Oc2ccccc2O3)c1 ZINC000809789993 887843973 /nfs/dbraw/zinc/84/39/73/887843973.db2.gz REYHPIFNZPIKNQ-UHFFFAOYSA-N -1 3 376.250 3.837 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cc(OC)c(OC)c(C)c2OC)c1 ZINC000794842373 888384544 /nfs/dbraw/zinc/38/45/44/888384544.db2.gz SZCUELHELOCDMM-LBPRGKRZSA-N -1 3 375.421 3.686 20 10 GHCDHM NC(=O)c1cc(NCc2cc(Cl)c3cccnc3c2[O-])nc2ccccc21 ZINC001168522112 890336037 /nfs/dbraw/zinc/33/60/37/890336037.db2.gz PEQBYOVOHPAYDU-UHFFFAOYSA-N -1 3 378.819 3.853 20 10 GHCDHM CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000748049648 894560072 /nfs/dbraw/zinc/56/00/72/894560072.db2.gz NRCKZIZNSWQJIO-DZGCQCFKSA-N -1 3 380.916 3.765 20 10 GHCDHM COc1c([O-])c(CN2CC[C@@H](Oc3ccccc3Cl)C2)ccc1[N+](=O)[O-] ZINC000774907644 914000529 /nfs/dbraw/zinc/00/05/29/914000529.db2.gz DLGDABSTOYXUHD-CYBMUJFWSA-N -1 3 378.812 3.616 20 10 GHCDHM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(O)c(C(C)C)c3)ccc21 ZINC000882798434 896999086 /nfs/dbraw/zinc/99/90/86/896999086.db2.gz LXHXXSLKRCRRNW-UHFFFAOYSA-N -1 3 388.489 3.616 20 10 GHCDHM COc1c([O-])c(CNc2ccc(N3CCSCC3)cc2C)ccc1[N+](=O)[O-] ZINC000774936559 914128181 /nfs/dbraw/zinc/12/81/81/914128181.db2.gz YNHINBFQMMZFDB-UHFFFAOYSA-N -1 3 389.477 3.783 20 10 GHCDHM [O-]c1cc(F)c(Br)cc1CN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001144298537 901646855 /nfs/dbraw/zinc/64/68/55/901646855.db2.gz FURCKQUHWJVEHR-ZDUSSCGKSA-N -1 3 386.183 3.573 20 10 GHCDHM COC(CN(Cc1ccccc1)Cc1cc(Br)c(F)cc1[O-])OC ZINC001144299514 901649720 /nfs/dbraw/zinc/64/97/20/901649720.db2.gz YYOJGKPVZNONCX-UHFFFAOYSA-N -1 3 398.272 3.915 20 10 GHCDHM CCOC(=O)C[C@H]1CCN(Cc2cc(Br)c(F)cc2[O-])C[C@@H]1C ZINC001144308718 901705103 /nfs/dbraw/zinc/70/51/03/901705103.db2.gz UTVTYOHXCMSECD-NWDGAFQWSA-N -1 3 388.277 3.705 20 10 GHCDHM COC1CCN(c2ccc(CN3CCc4ccc(C(=O)[O-])cc4C3)cc2)CC1 ZINC000846274398 902839789 /nfs/dbraw/zinc/83/97/89/902839789.db2.gz RMJRSHNTLXBREV-UHFFFAOYSA-N -1 3 380.488 3.558 20 10 GHCDHM Cc1cn(-c2cc(NC(=O)c3cc(O)c([O-])c(O)c3)cc(C(F)(F)F)c2)cn1 ZINC001148588285 904129085 /nfs/dbraw/zinc/12/90/85/904129085.db2.gz QVICGWWSMURXPE-UHFFFAOYSA-N -1 3 393.321 3.569 20 10 GHCDHM C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1cc(Br)ccc1[O-] ZINC000179938665 906639552 /nfs/dbraw/zinc/63/95/52/906639552.db2.gz OHFKNMBAVUEZAR-GFCCVEGCSA-N -1 3 398.322 3.751 20 10 GHCDHM Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1Cc1cc(F)ccc1[O-] ZINC000779611211 907878707 /nfs/dbraw/zinc/87/87/07/907878707.db2.gz FOSMSHRDDFMLHZ-OAQYLSRUSA-N -1 3 395.478 3.966 20 10 GHCDHM COc1cc(OC)c(CNCc2cc(C)cc(Br)c2[O-])c(OC)c1 ZINC001177323708 908526372 /nfs/dbraw/zinc/52/63/72/908526372.db2.gz ZNQJYRQQEWMZGQ-UHFFFAOYSA-N -1 3 396.281 3.779 20 10 GHCDHM Cc1cc(O)cc(C)c1[N-]S(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1 ZINC001187465834 915277542 /nfs/dbraw/zinc/27/75/42/915277542.db2.gz FUDJYGAZCOXNPB-UHFFFAOYSA-N -1 3 377.462 3.761 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000775177564 916032543 /nfs/dbraw/zinc/03/25/43/916032543.db2.gz AZJYSFDTJHOBOX-UHFFFAOYSA-N -1 3 391.225 3.537 20 10 GHCDHM C[C@H](NCc1ncc(C(F)(F)F)cn1)c1ccc(Br)cc1[O-] ZINC000296433146 918264330 /nfs/dbraw/zinc/26/43/30/918264330.db2.gz LZCYCQBNZKNHNL-QMMMGPOBSA-N -1 3 376.176 3.814 20 10 GHCDHM C[C@@H](N[C@@H](Cn1ccccc1=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000800504507 920206769 /nfs/dbraw/zinc/20/67/69/920206769.db2.gz CEKMDMOGRDVFTM-BEFAXECRSA-N -1 3 379.416 3.554 20 10 GHCDHM Cc1oc2c(ccc([O-])c2CN(C)C[C@@H]2CCOC2)c(=O)c1-c1ccccc1 ZINC000749964535 927375927 /nfs/dbraw/zinc/37/59/27/927375927.db2.gz PKFDFKHTKLVKLK-INIZCTEOSA-N -1 3 379.456 3.942 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2CNC(=O)c2ccccc2)c1[O-] ZINC000750837332 927884674 /nfs/dbraw/zinc/88/46/74/927884674.db2.gz JVHGXNRSFAIDJE-LJQANCHMSA-N -1 3 384.451 3.518 20 10 GHCDHM Cc1ccc(C(=O)Nc2cccc3c2CCN3C(=O)OC(C)(C)C)c([O-])c1O ZINC000780966292 930654782 /nfs/dbraw/zinc/65/47/82/930654782.db2.gz YTADLKIUHDWGSN-UHFFFAOYSA-N -1 3 384.432 3.956 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCN(c3ccc(Cl)cn3)CC2)c1 ZINC000781897241 931016661 /nfs/dbraw/zinc/01/66/61/931016661.db2.gz QDDIZXMCTDJFPB-UHFFFAOYSA-N -1 3 396.716 3.834 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cc(C(=O)NCC3CC3)ccc2C)c1 ZINC000784068367 931773916 /nfs/dbraw/zinc/77/39/16/931773916.db2.gz ZQQLJFBJMRUFAJ-AWEZNQCLSA-N -1 3 382.460 3.800 20 10 GHCDHM C[C@@H](NCc1cc(C(F)(F)F)nn1C)c1cc(Br)c(F)cc1[O-] ZINC000926928620 932353044 /nfs/dbraw/zinc/35/30/44/932353044.db2.gz NVOWCPAGFOTNKO-SSDOTTSWSA-N -1 3 396.182 3.897 20 10 GHCDHM CCC(C)(C)NC(=O)c1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000798081947 932521661 /nfs/dbraw/zinc/52/16/61/932521661.db2.gz FIAQAGCQANJZAD-UHFFFAOYSA-N -1 3 387.436 3.840 20 10 GHCDHM CN1[C@@H]2CC[C@H]1C[C@H](Oc1c(O)c([O-])cc3oc(-c4ccccc4)cc(=O)c31)C2 ZINC001227507494 1032446303 /nfs/dbraw/zinc/44/63/03/1032446303.db2.gz XQFDPTPDTXDXCO-MUJYYYPQSA-N -1 3 393.439 3.875 20 10 GHCDHM CCOC(=O)C(F)(F)[C@@H](CC)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227937621 1032705525 /nfs/dbraw/zinc/70/55/25/1032705525.db2.gz NMCMUIWBGQMDGK-OAHLLOKOSA-N -1 3 394.370 3.685 20 10 GHCDHM CC(C)c1cnn2cc(C(=O)NCc3cc(Cl)c4cccnc4c3[O-])cnc12 ZINC001156238419 1032937384 /nfs/dbraw/zinc/93/73/84/1032937384.db2.gz JMWOVWPXLDNDEU-UHFFFAOYSA-N -1 3 395.850 3.690 20 10 GHCDHM CCOC[C@@H]1CN(Cc2ccc(Cl)cc2[O-])Cc2ncn(CC3CC3)c21 ZINC001140462636 1021754686 /nfs/dbraw/zinc/75/46/86/1021754686.db2.gz JTJYYYACAHAIOG-INIZCTEOSA-N -1 3 375.900 3.788 20 10 GHCDHM CS(=O)(=O)c1cccc([C@@H]2CCCN(Cc3ccc(Cl)cc3[O-])C2)c1 ZINC001140464660 1021757580 /nfs/dbraw/zinc/75/75/80/1021757580.db2.gz ZDOXZHMQEGQQCN-OAHLLOKOSA-N -1 3 379.909 3.829 20 10 GHCDHM O=C(c1cccs1)N1CCC[C@]2(CCN(Cc3c([O-])cc(F)cc3F)C2)C1 ZINC001140580667 1022000622 /nfs/dbraw/zinc/00/06/22/1022000622.db2.gz CJSNTVBQLXUXKF-HXUWFJFHSA-N -1 3 392.471 3.860 20 10 GHCDHM COC(=O)c1sc2c(c1Br)CN(Cc1cc(F)ccc1[O-])C2 ZINC000827862543 1022353178 /nfs/dbraw/zinc/35/31/78/1022353178.db2.gz IPPSONMOXJFXSV-UHFFFAOYSA-N -1 3 386.242 3.658 20 10 GHCDHM COCCN(Cc1ccc2c(c1)OCO2)Cc1c([O-])cccc1Br ZINC001204807513 1033099749 /nfs/dbraw/zinc/09/97/49/1033099749.db2.gz MGOSVDKPRWUTDC-UHFFFAOYSA-N -1 3 394.265 3.532 20 10 GHCDHM [O-]c1c(F)ccc(F)c1CN1CC(c2ncn3cc(Br)ccc23)C1 ZINC001139686405 1026538513 /nfs/dbraw/zinc/53/85/13/1026538513.db2.gz YARAFXFKDJKVBP-UHFFFAOYSA-N -1 3 394.219 3.680 20 10 GHCDHM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2[O-])C[C@H]1C(F)(F)F ZINC001140056227 1026835019 /nfs/dbraw/zinc/83/50/19/1026835019.db2.gz NGMZIEBZUCHSLL-AWEZNQCLSA-N -1 3 378.366 3.515 20 10 GHCDHM C[C@H]1CN(Cc2c([O-])cccc2Br)CCN1C(=O)OC(C)(C)C ZINC001140098873 1026876284 /nfs/dbraw/zinc/87/62/84/1026876284.db2.gz PYNLNIIOOJOFNY-LBPRGKRZSA-N -1 3 385.302 3.596 20 10 GHCDHM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1c([O-])cccc1Br ZINC001140100343 1026878252 /nfs/dbraw/zinc/87/82/52/1026878252.db2.gz LYMCAZHCUHLVRP-BETUJISGSA-N -1 3 397.313 3.738 20 10 GHCDHM O=C1CN(Cc2cc3oc4ccccc4c3cc2[O-])CN1CCC(F)(F)F ZINC000840115967 1027221343 /nfs/dbraw/zinc/22/13/43/1027221343.db2.gz UDVXLVFZGHDLAS-UHFFFAOYSA-N -1 3 378.350 3.846 20 10 GHCDHM CCOC[C@@H]1CN(Cc2cc(Br)ccc2[O-])Cc2nn(CC)cc21 ZINC001203639309 1027497902 /nfs/dbraw/zinc/49/79/02/1027497902.db2.gz AZPGURXYFKWHGF-AWEZNQCLSA-N -1 3 394.313 3.507 20 10 GHCDHM [O-]c1c(O)cc(-c2nc(-c3cccc(Cl)c3Br)no2)cc1O ZINC001215327497 1029155262 /nfs/dbraw/zinc/15/52/62/1029155262.db2.gz DOAZWLCVSYSHBM-UHFFFAOYSA-N -1 3 383.585 3.936 20 10 GHCDHM O=C1c2cccc(OC[C@H]3CC[C@]4(CCCCO4)O3)c2C(=O)c2cccc([O-])c21 ZINC001229191509 1033331267 /nfs/dbraw/zinc/33/12/67/1033331267.db2.gz BKHRHKLYGZAFDJ-FATZIPQQSA-N -1 3 394.423 3.622 20 10 GHCDHM Cc1nc(Cl)c([N+](=O)[O-])c(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001157723990 1033739684 /nfs/dbraw/zinc/73/96/84/1033739684.db2.gz IENPZIBJMCOJRW-UHFFFAOYSA-N -1 3 380.191 3.866 20 10 GHCDHM COCCn1ccc2c1ncnc2NCc1cc(Cl)c2cccnc2c1[O-] ZINC001157726033 1033741297 /nfs/dbraw/zinc/74/12/97/1033741297.db2.gz AVZFIOFGYPRQHJ-UHFFFAOYSA-N -1 3 383.839 3.597 20 10 GHCDHM CCOC(=O)[C@]1(NCc2ccc(Br)cc2[O-])CCc2ccccc21 ZINC001207045159 1034067972 /nfs/dbraw/zinc/06/79/72/1034067972.db2.gz TWKUFPVELPWSJP-IBGZPJMESA-N -1 3 390.277 3.649 20 10 GHCDHM CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454097 1034598914 /nfs/dbraw/zinc/59/89/14/1034598914.db2.gz NOECDTLVFUUNCW-COXVUDFISA-N -1 3 375.465 3.565 20 10 GHCDHM CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454097 1034598923 /nfs/dbraw/zinc/59/89/23/1034598923.db2.gz NOECDTLVFUUNCW-COXVUDFISA-N -1 3 375.465 3.565 20 10 GHCDHM NC(=O)c1ccc(C(F)(F)NCc2cc3ccccc3cc2[O-])nc1Cl ZINC001160206710 1034901833 /nfs/dbraw/zinc/90/18/33/1034901833.db2.gz QGWIVBOLIXOWGM-UHFFFAOYSA-N -1 3 377.778 3.532 20 10 GHCDHM [O-]c1c(CN2CCOC[C@@H]2c2nccc(N3CCCC3)n2)ccc2ccccc21 ZINC001231880206 1034964647 /nfs/dbraw/zinc/96/46/47/1034964647.db2.gz IRLDHGZUPNRYEQ-HXUWFJFHSA-N -1 3 390.487 3.509 20 10 GHCDHM CC(C)(C)OC(=O)N1CCO[C@]2(CCCN(Cc3cccc(Cl)c3[O-])C2)C1 ZINC001231910749 1034985634 /nfs/dbraw/zinc/98/56/34/1034985634.db2.gz RVIYRTBNEPDPDP-FQEVSTJZSA-N -1 3 396.915 3.648 20 10 GHCDHM CC(C)(C)c1cc([O-])c(CN2CCn3nc(C(F)(F)F)nc3C2)cc1Cl ZINC001248880185 1036218957 /nfs/dbraw/zinc/21/89/57/1036218957.db2.gz HTWZWHJDHFUUBH-UHFFFAOYSA-N -1 3 388.821 3.969 20 10 GHCDHM COC[C@H]1CN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])Cc2cn(C)nc21 ZINC001248881964 1036220726 /nfs/dbraw/zinc/22/07/26/1036220726.db2.gz CJYIQLFIRBTDDN-OAHLLOKOSA-N -1 3 377.916 3.822 20 10 GHCDHM COc1cc([O-])c(CN2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)cc1Cl ZINC001232267908 1037989716 /nfs/dbraw/zinc/98/97/16/1037989716.db2.gz JQUCTMYVOPQWOX-STQMWFEESA-N -1 3 384.904 3.884 20 10 GHCDHM COc1cc([O-])c(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC(C)(C)C)cc1Cl ZINC001232270048 1037993594 /nfs/dbraw/zinc/99/35/94/1037993594.db2.gz QYKGGPOOKTVIFJ-YEWDVWPNSA-N -1 3 381.900 3.996 20 10 GHCDHM CN(Cc1cnc(Cl)s1)Cc1ccc(I)cc1[O-] ZINC001232974951 1038745903 /nfs/dbraw/zinc/74/59/03/1038745903.db2.gz UKJKAZNTRJAVCZ-UHFFFAOYSA-N -1 3 394.665 3.739 20 10 GHCDHM COc1cccc2c1CCN(Cc1ccc(I)cc1[O-])C2 ZINC001232977939 1038747087 /nfs/dbraw/zinc/74/70/87/1038747087.db2.gz RQKLDIOQXPLOQN-UHFFFAOYSA-N -1 3 395.240 3.564 20 10 GHCDHM Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3cccc(C(F)(F)F)c3[O-])O2)n1 ZINC001233417021 1039274418 /nfs/dbraw/zinc/27/44/18/1039274418.db2.gz FWHQZHZEHCOUOV-KFWWJZLASA-N -1 3 383.370 3.597 20 10 GHCDHM COc1ccc(CN2CCN(Cc3cccc(C(F)(F)F)c3[O-])CC2)cc1 ZINC001233417981 1039277615 /nfs/dbraw/zinc/27/76/15/1039277615.db2.gz OYEAEPKRDMLQBQ-UHFFFAOYSA-N -1 3 380.410 3.737 20 10 GHCDHM CO[C@H](CN1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1)c1ccccc1 ZINC001233419325 1039279245 /nfs/dbraw/zinc/27/92/45/1039279245.db2.gz UAGSUICAHMIJSH-LJQANCHMSA-N -1 3 394.437 3.916 20 10 GHCDHM COc1cccc(O[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3[O-])C2)n1 ZINC001233419869 1039281711 /nfs/dbraw/zinc/28/17/11/1039281711.db2.gz PPVSVHIKTZUGBO-AWEZNQCLSA-N -1 3 382.382 3.858 20 10 GHCDHM COc1c(OC2CCSCC2)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234127689 1039869258 /nfs/dbraw/zinc/86/92/58/1039869258.db2.gz TUIGPCOAFFQRHA-UHFFFAOYSA-N -1 3 384.453 3.759 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CC[C@](O)(C(F)(F)F)[C@@H](C)C2)c1 ZINC001236663239 1041811235 /nfs/dbraw/zinc/81/12/35/1041811235.db2.gz KMNYLZCJUDDHCN-IINYFYTJSA-N -1 3 382.220 3.598 20 10 GHCDHM O=C1N(c2cccnc2)CC12CCN(Cc1cc(Cl)c(Cl)cc1[O-])CC2 ZINC001236795539 1041900758 /nfs/dbraw/zinc/90/07/58/1041900758.db2.gz GCDYODOOKJDNQB-UHFFFAOYSA-N -1 3 392.286 3.723 20 10 GHCDHM COc1cc([O-])c(CN2C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]2C)c(Cl)c1 ZINC001236803423 1041905562 /nfs/dbraw/zinc/90/55/62/1041905562.db2.gz NSSZRPUFQLKVEP-QWHCGFSZSA-N -1 3 384.904 3.932 20 10 GHCDHM COc1cc([O-])c(CN2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C)c(Cl)c1 ZINC001236805692 1041907265 /nfs/dbraw/zinc/90/72/65/1041907265.db2.gz IVNWFLWXKPFLDH-BLLLJJGKSA-N -1 3 384.904 3.932 20 10 GHCDHM COC(=O)c1cccc2c1CN(Cc1cc(Br)c(C)cc1[O-])CC2 ZINC001237685915 1042326012 /nfs/dbraw/zinc/32/60/12/1042326012.db2.gz RYUMCFPTUOVCDA-UHFFFAOYSA-N -1 3 390.277 3.808 20 10 GHCDHM [O-]c1c(CN2CCC[C@H](CO)CC2)cc(Br)cc1C(F)(F)F ZINC001237783487 1042366968 /nfs/dbraw/zinc/36/69/68/1042366968.db2.gz JFJBJJLAULRKCK-JTQLQIEISA-N -1 3 382.220 3.768 20 10 GHCDHM O=C1c2cccc(F)c2CN1[C@@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237939919 1042430246 /nfs/dbraw/zinc/43/02/46/1042430246.db2.gz HVNYMUHMRGTDIV-GFCCVEGCSA-N -1 3 378.806 3.554 20 10 GHCDHM Cc1ncsc1CN1C[C@H]2CC[C@@H](C1)N2Cc1c([O-])ccc(F)c1Cl ZINC001279683626 1047912938 /nfs/dbraw/zinc/91/29/38/1047912938.db2.gz GVSKSCCSYVLJTF-BETUJISGSA-N -1 3 381.904 3.798 20 10 GHCDHM CS[C@@H]1CCCCN(c2nnc(-c3sc4ncccc4c3[O-])n2C)C1 ZINC001338588185 1058661168 /nfs/dbraw/zinc/66/11/68/1058661168.db2.gz IEKMKBRWZDGWTC-LLVKDONJSA-N -1 3 375.523 3.519 20 10 GHCDHM Cc1ccc(-n2nc(C(=O)NCc3c([O-])cccc3F)c3c2CCC3)c(F)c1 ZINC001471975949 1073288441 /nfs/dbraw/zinc/28/84/41/1073288441.db2.gz NZPQDHNLUJEATO-UHFFFAOYSA-N -1 3 383.398 3.583 20 10 GHCDHM CSc1ccc(Br)cc1CCNC(=O)c1cccc(O)c1[O-] ZINC001472153549 1073348632 /nfs/dbraw/zinc/34/86/32/1073348632.db2.gz VTENDZDPFDGIOP-UHFFFAOYSA-N -1 3 382.279 3.555 20 10 GHCDHM O=C1[C@@H](NCc2ccc(F)c(F)c2[O-])CCN1c1ccc(C(F)(F)F)cc1 ZINC001474663581 1074504938 /nfs/dbraw/zinc/50/49/38/1074504938.db2.gz QUNIBIJAVKJMIW-AWEZNQCLSA-N -1 3 386.320 3.584 20 10 GHCDHM CN(Cc1ccc(N2CCCCC2)cc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736818946 598387632 /nfs/dbraw/zinc/38/76/32/598387632.db2.gz DTHCNYUOPCDGKS-UHFFFAOYSA-N -1 3 383.887 3.542 20 10 GHCDHM CN(Cc1ccc(N2CCCCC2)cc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736818946 598387633 /nfs/dbraw/zinc/38/76/33/598387633.db2.gz DTHCNYUOPCDGKS-UHFFFAOYSA-N -1 3 383.887 3.542 20 10 GHCDHM Cc1cc(C(=O)N(C2CC2)C2CCCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737226673 598465453 /nfs/dbraw/zinc/46/54/53/598465453.db2.gz DSRNZHBRDMKALJ-UHFFFAOYSA-N -1 3 390.491 3.821 20 10 GHCDHM Cc1cc(C(=O)Nc2ccc(C)c(O)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826291152 607707642 /nfs/dbraw/zinc/70/76/42/607707642.db2.gz RTVXJVMSAXRFMU-UHFFFAOYSA-N -1 3 388.431 3.541 20 10 GHCDHM CCc1ccc(N2C(=O)C(=Cc3cc(-c4nnn[n-]4)cs3)SC2=S)cc1 ZINC000821486725 606336231 /nfs/dbraw/zinc/33/62/31/606336231.db2.gz KJXLILYHHSRWEP-ZSOIEALJSA-N -1 3 399.526 3.896 20 10 GHCDHM CCc1ccc(N2C(=O)C(=Cc3cc(-c4nn[n-]n4)cs3)SC2=S)cc1 ZINC000821486725 606336233 /nfs/dbraw/zinc/33/62/33/606336233.db2.gz KJXLILYHHSRWEP-ZSOIEALJSA-N -1 3 399.526 3.896 20 10 GHCDHM CCc1ccccc1N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)SC1=S ZINC000821496937 606393989 /nfs/dbraw/zinc/39/39/89/606393989.db2.gz LPXPOIJZDFCZPD-ZROIWOOFSA-N -1 3 399.526 3.896 20 10 GHCDHM CCN(C(=O)C=Cc1cnc(C(C)(C)C)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366714 607797917 /nfs/dbraw/zinc/79/79/17/607797917.db2.gz FGXYJBMETSVKNU-ZHACJKMWSA-N -1 3 382.493 3.687 20 10 GHCDHM CCN(C(=O)C=Cc1cnc(C(C)(C)C)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366714 607797918 /nfs/dbraw/zinc/79/79/18/607797918.db2.gz FGXYJBMETSVKNU-ZHACJKMWSA-N -1 3 382.493 3.687 20 10 GHCDHM Cc1ccc(N2C(=O)C(=Cc3ccccc3-c3nnn[n-]3)SC2=S)cc1 ZINC000826289731 607883708 /nfs/dbraw/zinc/88/37/08/607883708.db2.gz KYQXRHAAQGOSRF-GDNBJRDFSA-N -1 3 379.470 3.581 20 10 GHCDHM Cc1ccc(N2C(=O)C(=Cc3ccccc3-c3nn[n-]n3)SC2=S)cc1 ZINC000826289731 607883709 /nfs/dbraw/zinc/88/37/09/607883709.db2.gz KYQXRHAAQGOSRF-GDNBJRDFSA-N -1 3 379.470 3.581 20 10 GHCDHM Cc1ccc(C)n1-c1ccsc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826284797 607951773 /nfs/dbraw/zinc/95/17/73/607951773.db2.gz GHGAYXYTRJVYLS-UHFFFAOYSA-N -1 3 390.472 3.539 20 10 GHCDHM Cc1ccc(C)n1-c1ccsc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826284797 607951774 /nfs/dbraw/zinc/95/17/74/607951774.db2.gz GHGAYXYTRJVYLS-UHFFFAOYSA-N -1 3 390.472 3.539 20 10 GHCDHM CC(=O)c1csc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000134260202 839758197 /nfs/dbraw/zinc/75/81/97/839758197.db2.gz CJLDKWODMCPZBU-MRXNPFEDSA-N -1 3 392.908 3.704 20 10 GHCDHM CC(=O)Nc1cccc2c1CCN(Cc1cc(C)cc(Br)c1[O-])C2 ZINC000781898832 841285695 /nfs/dbraw/zinc/28/56/95/841285695.db2.gz DSWYVUOVLTZVGP-UHFFFAOYSA-N -1 3 389.293 3.980 20 10 GHCDHM COc1c([O-])c(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000278214655 849686750 /nfs/dbraw/zinc/68/67/50/849686750.db2.gz KOQSOKAMKRWOBC-UHFFFAOYSA-N -1 3 388.264 3.626 20 10 GHCDHM CCCOc1nc(Cl)nc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168528689 860921820 /nfs/dbraw/zinc/92/18/20/860921820.db2.gz ZIQZTZRSDRQAFC-UHFFFAOYSA-N -1 3 380.235 3.833 20 10 GHCDHM Cc1cc(N(C)C)ccc1C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000734501078 864256079 /nfs/dbraw/zinc/25/60/79/864256079.db2.gz CZWJNBBVMKZKBH-UHFFFAOYSA-N -1 3 379.334 3.908 20 10 GHCDHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000174046084 865366265 /nfs/dbraw/zinc/36/62/65/865366265.db2.gz MMMNYLUMUNMHGS-UHFFFAOYSA-N -1 3 396.534 3.547 20 10 GHCDHM CC(=O)c1cc(CN(C)Cc2cccc(C)c2C)c([O-])c(CN2CCOCC2)c1 ZINC000793541401 882256958 /nfs/dbraw/zinc/25/69/58/882256958.db2.gz DJLAPMBTVRPKNG-UHFFFAOYSA-N -1 3 396.531 3.676 20 10 GHCDHM COc1cc(F)c(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc1F ZINC001193978892 871414345 /nfs/dbraw/zinc/41/43/45/871414345.db2.gz JEFZKEWNFUREDN-UHFFFAOYSA-N -1 3 378.762 3.811 20 10 GHCDHM Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3cc(Cl)cc(F)c3[O-])C2)nc1 ZINC000775654154 872388688 /nfs/dbraw/zinc/38/86/88/872388688.db2.gz TZQJUFLRRSDPBU-CYBMUJFWSA-N -1 3 377.847 3.739 20 10 GHCDHM O=C(NC[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1)c1ccccc1 ZINC000775669232 872586458 /nfs/dbraw/zinc/58/64/58/872586458.db2.gz HTJXDYCHVWLFKZ-CQSZACIVSA-N -1 3 376.859 3.827 20 10 GHCDHM O=C(N1CCN(Cc2c([O-])cccc2Cl)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000768226853 873176657 /nfs/dbraw/zinc/17/66/57/873176657.db2.gz CPBZNBVCDBLFAT-UHFFFAOYSA-N -1 3 388.939 3.906 20 10 GHCDHM O=C1NCCN(Cc2cc(Cl)ccc2[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000769531106 874136537 /nfs/dbraw/zinc/13/65/37/874136537.db2.gz SFLUVJYWTDKABG-MRXNPFEDSA-N -1 3 384.785 3.738 20 10 GHCDHM CN1CCO[C@@H]([C@@H](NCc2cc(Cl)cc(F)c2[O-])c2ccc(Cl)cc2)C1 ZINC000776253209 876032835 /nfs/dbraw/zinc/03/28/35/876032835.db2.gz LCZCHLLUNQJHLK-MSOLQXFVSA-N -1 3 399.293 4.000 20 10 GHCDHM [O-]c1ccc(Br)cc1CN1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000180542080 879001638 /nfs/dbraw/zinc/00/16/38/879001638.db2.gz ZBUXYYCTSWTYAT-GDBMZVCRSA-N -1 3 398.322 3.541 20 10 GHCDHM COC(=O)CN(Cc1ncc(C(F)(F)F)s1)Cc1cc(Cl)ccc1[O-] ZINC000789731275 879202472 /nfs/dbraw/zinc/20/24/72/879202472.db2.gz AFLUQBDRRIHKQD-UHFFFAOYSA-N -1 3 394.802 3.696 20 10 GHCDHM C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000790894618 880053647 /nfs/dbraw/zinc/05/36/47/880053647.db2.gz DQWRLRLWYAFMFC-CYBMUJFWSA-N -1 3 386.448 3.614 20 10 GHCDHM COc1ccc([C@@H](NC(=O)c2cccc(O)c2[O-])c2ccccc2OC)cc1 ZINC000790903489 880078118 /nfs/dbraw/zinc/07/81/18/880078118.db2.gz HIBBWAVFFGAKJR-HXUWFJFHSA-N -1 3 379.412 3.634 20 10 GHCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@@H](c1ccco1)N1CCCC1 ZINC000804858782 883439166 /nfs/dbraw/zinc/43/91/66/883439166.db2.gz HMYMRZHFFBJTAO-HNNXBMFYSA-N -1 3 398.290 3.928 20 10 GHCDHM CCOC(=O)c1cnn(C2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)c1C ZINC000809687602 887704331 /nfs/dbraw/zinc/70/43/31/887704331.db2.gz KZYOVGCUZQXANT-UHFFFAOYSA-N -1 3 395.862 3.703 20 10 GHCDHM CCN(CC(=O)N1CCCCCC1)Cc1cc(C)cc(Br)c1[O-] ZINC000809712995 887733983 /nfs/dbraw/zinc/73/39/83/887733983.db2.gz BTTDAGQNBBSRHV-UHFFFAOYSA-N -1 3 383.330 3.688 20 10 GHCDHM CCN(C)C(=O)OC[C@H]1CCCCN1Cc1cccc(Br)c1[O-] ZINC000809723780 887749952 /nfs/dbraw/zinc/74/99/52/887749952.db2.gz ORTWJHUECTZPDB-CQSZACIVSA-N -1 3 385.302 3.598 20 10 GHCDHM C[C@@H](N[C@@H](CO)c1ccccc1OC(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000794842667 888422652 /nfs/dbraw/zinc/42/26/52/888422652.db2.gz SBACQMSUXWQERH-OTYXRUKQSA-N -1 3 377.309 3.953 20 10 GHCDHM CC(C)OCc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)ccc1O ZINC000811703883 889878201 /nfs/dbraw/zinc/87/82/01/889878201.db2.gz KEWMEEMNXJGNGZ-UHFFFAOYSA-N -1 3 391.489 3.832 20 10 GHCDHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)c(C)c1C ZINC000811706071 889881378 /nfs/dbraw/zinc/88/13/78/889881378.db2.gz WEGZRLPZDAROBA-UHFFFAOYSA-N -1 3 379.478 3.743 20 10 GHCDHM CN(C)C(=S)Oc1cccnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168522770 891103879 /nfs/dbraw/zinc/10/38/79/891103879.db2.gz VKPQPEFQOBYPAB-UHFFFAOYSA-N -1 3 388.880 3.826 20 10 GHCDHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(N4CCCC4)cc3)nc2)n1 ZINC000068665306 891184261 /nfs/dbraw/zinc/18/42/61/891184261.db2.gz JIUYZAVWXXOLFB-UHFFFAOYSA-N -1 3 375.476 3.607 20 10 GHCDHM COc1c([O-])c(CN(Cc2cccs2)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000774821675 913650306 /nfs/dbraw/zinc/65/03/06/913650306.db2.gz UOPBWTFWSDNTHI-AWEZNQCLSA-N -1 3 378.450 3.552 20 10 GHCDHM Cc1cc(CN[C@@H](C)c2cccc(C(F)(F)F)c2[O-])nc(N2CCCC2)n1 ZINC000815628617 894060369 /nfs/dbraw/zinc/06/03/69/894060369.db2.gz FWFAUKLIVXJXIK-ZDUSSCGKSA-N -1 3 380.414 3.960 20 10 GHCDHM COc1c([O-])c(CN2CC[C@H](Oc3ccccc3Cl)C2)ccc1[N+](=O)[O-] ZINC000774907648 913999994 /nfs/dbraw/zinc/99/99/94/913999994.db2.gz DLGDABSTOYXUHD-ZDUSSCGKSA-N -1 3 378.812 3.616 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)Nc1ccnc(OCC(F)(F)C(F)F)c1 ZINC001202555528 897947436 /nfs/dbraw/zinc/94/74/36/897947436.db2.gz FTTPWPLMZNWEOV-UHFFFAOYSA-N -1 3 391.296 3.527 20 10 GHCDHM CC(C)(C)OC(=O)NCC[C@@H](NCc1cc(Cl)ccc1[O-])C(F)(F)F ZINC000825269483 900064899 /nfs/dbraw/zinc/06/48/99/900064899.db2.gz NODZVEOYOMDHFW-CYBMUJFWSA-N -1 3 382.810 3.981 20 10 GHCDHM CC(=O)N1CCCC[C@@]12CCCN(Cc1cc(Br)c(F)cc1[O-])C2 ZINC001144300041 901652051 /nfs/dbraw/zinc/65/20/51/901652051.db2.gz PIYBMJARAWDTIX-SFHVURJKSA-N -1 3 399.304 3.661 20 10 GHCDHM [O-]c1cc(F)c(Br)cc1CN1CCC[C@H](Oc2ccncc2)C1 ZINC001144307723 901699617 /nfs/dbraw/zinc/69/96/17/901699617.db2.gz GOZXIJSIDAMYTE-AWEZNQCLSA-N -1 3 381.245 3.732 20 10 GHCDHM CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(O)c2[O-])[C@H](c2ccccc2)C1 ZINC001148212398 904007899 /nfs/dbraw/zinc/00/78/99/904007899.db2.gz YQPZZKAAQCDKNG-KRWDZBQOSA-N -1 3 398.459 3.532 20 10 GHCDHM COC(=O)[C@H](NCc1cc(Cl)ccc1[O-])c1ccc(Br)cc1 ZINC000779175000 905123434 /nfs/dbraw/zinc/12/34/34/905123434.db2.gz RSSBDUXNCFZBAE-OAHLLOKOSA-N -1 3 384.657 3.812 20 10 GHCDHM Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCc1c([O-])cccc1F ZINC001178413083 909049517 /nfs/dbraw/zinc/04/95/17/909049517.db2.gz NKUAFNXDAWNEIR-UHFFFAOYSA-N -1 3 390.411 3.944 20 10 GHCDHM O=C(NC1CCN(Cc2cccc(Br)c2[O-])CC1)C1CCCCC1 ZINC000092644764 911674233 /nfs/dbraw/zinc/67/42/33/911674233.db2.gz OSNLNVLTMYRHIC-UHFFFAOYSA-N -1 3 395.341 3.816 20 10 GHCDHM O=C(CCC(=O)OCc1ccccc1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001182776994 912044974 /nfs/dbraw/zinc/04/49/74/912044974.db2.gz ZXHKHMIRLXENLR-UHFFFAOYSA-N -1 3 398.846 3.734 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H](O)CCCc1ccccc1 ZINC001187055772 914989319 /nfs/dbraw/zinc/98/93/19/914989319.db2.gz FWHQBUIXFRIPMN-SFHVURJKSA-N -1 3 384.863 3.594 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000775148036 915568041 /nfs/dbraw/zinc/56/80/41/915568041.db2.gz WRINMSMUBYUKRA-YGRLFVJLSA-N -1 3 382.220 3.598 20 10 GHCDHM C[C@](CO)(NCc1c([O-])ccc(Cl)c1F)c1ccc(Br)cc1 ZINC000796472784 917601314 /nfs/dbraw/zinc/60/13/14/917601314.db2.gz XKJLZDLKYMPLGV-MRXNPFEDSA-N -1 3 388.664 3.945 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1[O-] ZINC000750047286 927404232 /nfs/dbraw/zinc/40/42/32/927404232.db2.gz MKKNSOROBBBEFJ-SJCJKPOMSA-N -1 3 396.915 3.983 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1[O-] ZINC000750822874 927876035 /nfs/dbraw/zinc/87/60/35/927876035.db2.gz LKYXONUSRDHBOI-INIZCTEOSA-N -1 3 380.460 3.565 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1[O-] ZINC000750822877 927876265 /nfs/dbraw/zinc/87/62/65/927876265.db2.gz LKYXONUSRDHBOI-MRXNPFEDSA-N -1 3 380.460 3.565 20 10 GHCDHM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cc(C)cc(Br)c1[O-] ZINC000781913340 931024959 /nfs/dbraw/zinc/02/49/59/931024959.db2.gz SJADREJMDFHSGK-CVEARBPZSA-N -1 3 383.330 3.684 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCCN(Cc3cscn3)CC2)c1 ZINC000781911471 931025302 /nfs/dbraw/zinc/02/53/02/931025302.db2.gz MNBMZKOVZYAENY-UHFFFAOYSA-N -1 3 396.354 3.628 20 10 GHCDHM C[C@@H](Nc1cnc(N2CCOCC2)c(Br)c1)c1ccc(F)cc1[O-] ZINC000798941225 932827438 /nfs/dbraw/zinc/82/74/38/932827438.db2.gz XOIHRTDLXAJZLX-LLVKDONJSA-N -1 3 396.260 3.699 20 10 GHCDHM COc1cc(Br)cc(C[NH2+][C@H](C(=O)[O-])c2ccc(F)c(C)c2)c1[O-] ZINC001599346869 998021995 /nfs/dbraw/zinc/02/19/95/998021995.db2.gz PSHXWVUOCUTEOJ-HNNXBMFYSA-N -1 3 398.228 3.526 20 10 GHCDHM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001594167078 998641022 /nfs/dbraw/zinc/64/10/22/998641022.db2.gz JGNYALPTAUNQKK-DZGCQCFKSA-N -1 3 381.314 3.734 20 10 GHCDHM CCOC(=O)[C@@H]1CCC[C@@H](Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)C1 ZINC001227939902 1032706347 /nfs/dbraw/zinc/70/63/47/1032706347.db2.gz FTXCMMAOQVFBDR-HZPDHXFCSA-N -1 3 384.428 3.830 20 10 GHCDHM C[C@@H](c1ccccc1)N(C)C(=O)CN(C)Cc1cccc(Br)c1[O-] ZINC000800543469 1021318481 /nfs/dbraw/zinc/31/84/81/1021318481.db2.gz CFIWAXUAPZBLEY-AWEZNQCLSA-N -1 3 391.309 3.806 20 10 GHCDHM CCOC[C@H]1CN(Cc2c([O-])cccc2Cl)Cc2ncn(CC3CC3)c21 ZINC001140338350 1021445651 /nfs/dbraw/zinc/44/56/51/1021445651.db2.gz GKVCNTRAISCLHI-OAHLLOKOSA-N -1 3 375.900 3.788 20 10 GHCDHM [O-]c1cccc(Cl)c1CN1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001140339224 1021446294 /nfs/dbraw/zinc/44/62/94/1021446294.db2.gz GCBPXHLLSGNWLZ-IYJAJMOOSA-N -1 3 394.924 3.698 20 10 GHCDHM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccc(Cl)cc2[O-])CCC1(F)F ZINC001140464371 1021755192 /nfs/dbraw/zinc/75/51/92/1021755192.db2.gz MXIDGPNWCPTGGU-CQSZACIVSA-N -1 3 376.831 3.780 20 10 GHCDHM O=C(Nc1ccccc1)C1=NO[C@]2(C1)CCCN(Cc1ccc(Cl)cc1[O-])C2 ZINC001140465789 1021759708 /nfs/dbraw/zinc/75/97/08/1021759708.db2.gz VIGPVIXETUCCFQ-NRFANRHFSA-N -1 3 399.878 3.795 20 10 GHCDHM O=S1(=O)CCN(Cc2c3c(ccc2[O-])oc2c3CCCC2)[C@H]2CCCC[C@@H]21 ZINC000754012883 1022423964 /nfs/dbraw/zinc/42/39/64/1022423964.db2.gz LZFRSTNQIDZYRI-JXFKEZNVSA-N -1 3 389.517 3.559 20 10 GHCDHM CCCc1c(NC(=O)NCc2c([O-])cccc2F)cnn1-c1cc(C)ccn1 ZINC001203084705 1023085918 /nfs/dbraw/zinc/08/59/18/1023085918.db2.gz ZNHNQGYGYBPRNE-UHFFFAOYSA-N -1 3 383.427 3.695 20 10 GHCDHM COCCOc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cc1 ZINC000755981407 1023463660 /nfs/dbraw/zinc/46/36/60/1023463660.db2.gz CJWHTTGAZZEMKL-UHFFFAOYSA-N -1 3 379.478 3.650 20 10 GHCDHM CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001141517825 1025368189 /nfs/dbraw/zinc/36/81/89/1025368189.db2.gz CUZCYUOAXVAKNQ-UHFFFAOYSA-N -1 3 382.435 3.962 20 10 GHCDHM C[C@H](NCc1cccc([O-])c1Br)c1ccc(N2CCOCC2)cc1 ZINC000838916908 1025443623 /nfs/dbraw/zinc/44/36/23/1025443623.db2.gz WVFMVHAQUHPXID-AWEZNQCLSA-N -1 3 391.309 3.842 20 10 GHCDHM Cc1ccc([C@@]2(C)CN(Cc3c([O-])ccc4c(C)cc(=O)oc43)CCO2)cc1 ZINC001139131308 1025942957 /nfs/dbraw/zinc/94/29/57/1025942957.db2.gz NPCQXCJKTHBNEN-HSZRJFAPSA-N -1 3 379.456 3.863 20 10 GHCDHM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2[O-])[C@@H](C(F)(F)F)C1 ZINC001140056269 1026835369 /nfs/dbraw/zinc/83/53/69/1026835369.db2.gz OQPLVJQJBHQRTC-CQSZACIVSA-N -1 3 378.366 3.515 20 10 GHCDHM CCOC(=O)c1cc2c(s1)CCN(Cc1c([O-])cccc1Br)C2 ZINC001140101076 1026878795 /nfs/dbraw/zinc/87/87/95/1026878795.db2.gz JEXBKKUZFORVCR-UHFFFAOYSA-N -1 3 396.306 3.951 20 10 GHCDHM O=C1[C@@H](NCc2cc(F)cc(F)c2[O-])CCN1c1ccc(C(F)(F)F)cc1 ZINC001203356904 1027290409 /nfs/dbraw/zinc/29/04/09/1027290409.db2.gz FQJGNMZEYODZSH-HNNXBMFYSA-N -1 3 386.320 3.584 20 10 GHCDHM [O-]c1c(Br)cc(Br)cc1CN1CC[C@H]2OCC[C@H]2C1 ZINC001203568844 1027438325 /nfs/dbraw/zinc/43/83/25/1027438325.db2.gz XTCJNBUSLCRRJL-TVQRCGJNSA-N -1 3 391.103 3.528 20 10 GHCDHM CCOC[C@H]1CN(Cc2cc(Cl)ccc2[O-])Cc2c1cnn2CC1CC1 ZINC001203656513 1027511808 /nfs/dbraw/zinc/51/18/08/1027511808.db2.gz QVTSIMMECGMINN-MRXNPFEDSA-N -1 3 375.900 3.788 20 10 GHCDHM O=C([O-])C[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cccs1 ZINC000841800547 1028945812 /nfs/dbraw/zinc/94/58/12/1028945812.db2.gz GOYZDFAWUJKBEP-OAHLLOKOSA-N -1 3 389.477 3.952 20 10 GHCDHM CCOc1cc(Br)ccc1-c1noc(-c2cccc(O)c2[O-])n1 ZINC001215145958 1029059077 /nfs/dbraw/zinc/05/90/77/1029059077.db2.gz UPGZBWNPOCCLFR-UHFFFAOYSA-N -1 3 377.194 3.976 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC001215221634 1029097610 /nfs/dbraw/zinc/09/76/10/1029097610.db2.gz WKDKNNOIVRHEKM-CYBMUJFWSA-N -1 3 378.375 3.550 20 10 GHCDHM [O-]c1c(O)cc(-c2nc(-c3cc(F)c(Br)c(F)c3)no2)cc1O ZINC001215327817 1029156351 /nfs/dbraw/zinc/15/63/51/1029156351.db2.gz VGHLLWLXIHJGQW-UHFFFAOYSA-N -1 3 385.120 3.561 20 10 GHCDHM CCN1CCN(C(=O)c2ccc(NCc3c([O-])ccc(Cl)c3F)cc2)CC1 ZINC001461722564 1069702845 /nfs/dbraw/zinc/70/28/45/1069702845.db2.gz NSGHJBSCVKBDNN-UHFFFAOYSA-N -1 3 391.874 3.575 20 10 GHCDHM COC(=O)[C@H](NCc1ccc(Br)cc1[O-])c1cc(C)cc(C)c1 ZINC001205459701 1033422415 /nfs/dbraw/zinc/42/24/15/1033422415.db2.gz DBVNLBGFZYJHSA-QGZVFWFLSA-N -1 3 378.266 3.775 20 10 GHCDHM CC(C)NC(=O)OC[C@@H]1CCCCN1Cc1ccc(Br)cc1[O-] ZINC001205718401 1033545593 /nfs/dbraw/zinc/54/55/93/1033545593.db2.gz YRFPNNOISCMMJM-HNNXBMFYSA-N -1 3 385.302 3.644 20 10 GHCDHM [O-]c1c(CNc2cc(N3CCSCC3)ncn2)cc(Cl)c2cccnc12 ZINC001157728094 1033743342 /nfs/dbraw/zinc/74/33/42/1033743342.db2.gz ZCUSAJDZYLOXGI-UHFFFAOYSA-N -1 3 387.896 3.549 20 10 GHCDHM O=C([O-])c1ccc(O)c(CN2CCN(Cc3ccc4ccccc4c3)CC2)c1 ZINC001231566296 1034715289 /nfs/dbraw/zinc/71/52/89/1034715289.db2.gz WXIYJVJANCVRHV-UHFFFAOYSA-N -1 3 376.456 3.561 20 10 GHCDHM Cc1cc([O-])c(CN2CCc3onc(COc4ccccn4)c3C2)cc1Cl ZINC001231869335 1034956142 /nfs/dbraw/zinc/95/61/42/1034956142.db2.gz LRPPTFRCKDCZJS-UHFFFAOYSA-N -1 3 385.851 3.874 20 10 GHCDHM Cc1cc([O-])c(CN2Cc3cncn3C[C@@H](COc3ccccn3)C2)cc1Cl ZINC001231869375 1034956391 /nfs/dbraw/zinc/95/63/91/1034956391.db2.gz NEYLXTSEASFIER-INIZCTEOSA-N -1 3 398.894 3.657 20 10 GHCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])CC(C)(C)Oc1ccccc1 ZINC001461976488 1069925031 /nfs/dbraw/zinc/92/50/31/1069925031.db2.gz RMTQJHLUKYHMEZ-UHFFFAOYSA-N -1 3 377.868 3.878 20 10 GHCDHM COc1ccc(CN(Cc2ccco2)C2CC2)c([O-])c1I ZINC001248498948 1035916361 /nfs/dbraw/zinc/91/63/61/1035916361.db2.gz WGHJWHNIYFCLQM-UHFFFAOYSA-N -1 3 399.228 3.763 20 10 GHCDHM COc1cc([O-])c(CN2CCC[C@@H](NC(=O)c3ccccc3F)C2)cc1Cl ZINC001232270385 1037994454 /nfs/dbraw/zinc/99/44/54/1037994454.db2.gz BGFXZDMMSUQVJV-CQSZACIVSA-N -1 3 392.858 3.588 20 10 GHCDHM [O-]c1c(CN2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)cccc1C(F)(F)F ZINC001233416315 1039272716 /nfs/dbraw/zinc/27/27/16/1039272716.db2.gz CZXUJERUBVVOFT-LNLFQRSKSA-N -1 3 394.393 3.617 20 10 GHCDHM CC(C)(C)OC(=O)N1CC[C@]12CCN(Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001233416885 1039275214 /nfs/dbraw/zinc/27/52/14/1039275214.db2.gz ZZEGYAGVQZRVAN-SFHVURJKSA-N -1 3 386.414 3.996 20 10 GHCDHM COc1ccc(CN2CCC[C@@]23CCN(C2CCCC2)C3=O)c([O-])c1Cl ZINC001277835325 1039890337 /nfs/dbraw/zinc/89/03/37/1039890337.db2.gz XFTWRLBCDNORJU-FQEVSTJZSA-N -1 3 378.900 3.564 20 10 GHCDHM CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001254346725 1040180356 /nfs/dbraw/zinc/18/03/56/1040180356.db2.gz SCDPRFKZNVRHNN-LLVKDONJSA-N -1 3 383.279 3.760 20 10 GHCDHM [O-]c1c(CN2CCn3c(Cn4cccn4)cnc3C2)cccc1-c1ccccc1 ZINC001234988377 1040485675 /nfs/dbraw/zinc/48/56/75/1040485675.db2.gz NWFNBLLZSPWKIR-UHFFFAOYSA-N -1 3 385.471 3.516 20 10 GHCDHM CC(C)(C)OC(=O)C[C@H]1CCCN1Cc1cc(F)cc(Br)c1[O-] ZINC001235304752 1040779669 /nfs/dbraw/zinc/77/96/69/1040779669.db2.gz AJLPVESHEMRODJ-CYBMUJFWSA-N -1 3 388.277 3.990 20 10 GHCDHM [O-]c1c(F)ccc(F)c1CN1CCN[C@@H](c2cccc(Br)c2)C1 ZINC001235792157 1041285814 /nfs/dbraw/zinc/28/58/14/1041285814.db2.gz LWHPKBYGKROBKW-MRXNPFEDSA-N -1 3 383.236 3.579 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCCC[C@](O)(C(F)(F)F)C2)c1 ZINC001236664802 1041811815 /nfs/dbraw/zinc/81/18/15/1041811815.db2.gz XIAXZAWXPHITCC-CQSZACIVSA-N -1 3 382.220 3.742 20 10 GHCDHM COC(=O)c1cccc2c1CCN(Cc1cc(C)cc(Br)c1[O-])C2 ZINC001236668836 1041816541 /nfs/dbraw/zinc/81/65/41/1041816541.db2.gz DZWWCBGDIKSTDK-UHFFFAOYSA-N -1 3 390.277 3.808 20 10 GHCDHM COc1ccc(CN2CC3(C2)CCN(Cc2csc(C)n2)C3)c([O-])c1Cl ZINC001236813515 1041912934 /nfs/dbraw/zinc/91/29/34/1041912934.db2.gz NULSRIOEFKVMPF-UHFFFAOYSA-N -1 3 393.940 3.527 20 10 GHCDHM CC(C)(C)NC(=O)CO[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237084589 1042028715 /nfs/dbraw/zinc/02/87/15/1042028715.db2.gz LMXAIDPDTFXZFN-GFCCVEGCSA-N -1 3 389.323 3.595 20 10 GHCDHM CO[C@H](CN1CCN(Cc2c([O-])ccc(F)c2Cl)CC1)c1ccccc1 ZINC001237127581 1042054405 /nfs/dbraw/zinc/05/44/05/1042054405.db2.gz CXDCXVTXPMSFEA-LJQANCHMSA-N -1 3 378.875 3.690 20 10 GHCDHM COc1cccc(C(=O)NC2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)c1 ZINC001237623497 1042289363 /nfs/dbraw/zinc/28/93/63/1042289363.db2.gz OHTTYNCXBSAGBL-UHFFFAOYSA-N -1 3 392.858 3.588 20 10 GHCDHM COC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(Br)c(C)cc1[O-] ZINC001237682322 1042322629 /nfs/dbraw/zinc/32/26/29/1042322629.db2.gz QXTYTIOWJHYZFI-QGZVFWFLSA-N -1 3 390.277 3.563 20 10 GHCDHM C[C@@H]1CN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])CCC[C@H]1O ZINC001237783195 1042366200 /nfs/dbraw/zinc/36/62/00/1042366200.db2.gz FVEXGRDSOFGZCG-NOZJJQNGSA-N -1 3 382.220 3.766 20 10 GHCDHM CC(C)N1CCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])CC1 ZINC001237782751 1042366125 /nfs/dbraw/zinc/36/61/25/1042366125.db2.gz BCZWBCRXGQCRJA-UHFFFAOYSA-N -1 3 381.236 3.700 20 10 GHCDHM O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(Cc1cc(F)c(Cl)cc1[O-])C2 ZINC001237938072 1042429051 /nfs/dbraw/zinc/42/90/51/1042429051.db2.gz SFJRGDNVGXTHLQ-LRDDRELGSA-N -1 3 392.833 3.670 20 10 GHCDHM Cc1cc(C(=O)[O-])ccc1CN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001238142922 1042502936 /nfs/dbraw/zinc/50/29/36/1042502936.db2.gz JOENRHSEMSMBQB-UHFFFAOYSA-N -1 3 394.393 3.914 20 10 GHCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)N2CCCCC2)cc1 ZINC001259550253 1045229246 /nfs/dbraw/zinc/22/92/46/1045229246.db2.gz XVILPMFSEWQXSQ-UHFFFAOYSA-N -1 3 389.477 3.519 20 10 GHCDHM CCOC(=O)CC(C)(C)CC(=O)C([O-])=Cc1c2ccc(C)cc2oc1C(C)=O ZINC001297562067 1045570845 /nfs/dbraw/zinc/57/08/45/1045570845.db2.gz AATSGKWWFLQLMG-UHFFFAOYSA-N -1 3 386.444 3.994 20 10 GHCDHM CCn1ccnc1CN1CCC2(CN(Cc3cc(Cl)c(Cl)cc3[O-])C2)C1 ZINC001279665324 1047904907 /nfs/dbraw/zinc/90/49/07/1047904907.db2.gz MHBDCUQIWBPWDQ-UHFFFAOYSA-N -1 3 395.334 3.623 20 10 GHCDHM Cc1cc([O-])c(CN2CCN(C(=O)N(C)Cc3ccccc3)CC2)c(Cl)c1 ZINC001308587957 1050021391 /nfs/dbraw/zinc/02/13/91/1050021391.db2.gz WTJOTBYWTPRTOF-UHFFFAOYSA-N -1 3 387.911 3.724 20 10 GHCDHM O=C1C[C@@]2(CCN(Cc3ccc(Br)cc3[O-])C2)Oc2ccccc21 ZINC001308816820 1050105753 /nfs/dbraw/zinc/10/57/53/1050105753.db2.gz YFBJZIUVVATKKB-LJQANCHMSA-N -1 3 388.261 3.765 20 10 GHCDHM COc1ccc([C@@H](NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c2ccco2)cc1 ZINC001308821624 1050107836 /nfs/dbraw/zinc/10/78/36/1050107836.db2.gz SZBIAFDJEFVMHN-GOSISDBHSA-N -1 3 384.388 3.790 20 10 GHCDHM CC(C)Cn1c(-c2sc3ncccc3c2[O-])nnc1N(C)Cc1ccon1 ZINC001344102311 1054250459 /nfs/dbraw/zinc/25/04/59/1054250459.db2.gz USBJNPCSNPJPFZ-UHFFFAOYSA-N -1 3 384.465 3.541 20 10 GHCDHM CCCCc1ccc(NC(=S)NN=c2ncc(Br)c[n-]2)cc1 ZINC000848652958 1057224943 /nfs/dbraw/zinc/22/49/43/1057224943.db2.gz GSWCHUXPWYOCTJ-UHFFFAOYSA-N -1 3 380.315 3.895 20 10 GHCDHM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001450922750 1060717648 /nfs/dbraw/zinc/71/76/48/1060717648.db2.gz VUIQZCQUUKFBIK-UHFFFAOYSA-N -1 3 386.459 3.759 20 10 GHCDHM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001450922750 1060717655 /nfs/dbraw/zinc/71/76/55/1060717655.db2.gz VUIQZCQUUKFBIK-UHFFFAOYSA-N -1 3 386.459 3.759 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC2(CCCCO2)CC1 ZINC001341732289 1060844705 /nfs/dbraw/zinc/84/47/05/1060844705.db2.gz LBSIVCBPKMSWLW-UHFFFAOYSA-N -1 3 399.520 3.820 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCCC[C@H](COC)C1 ZINC001341733925 1060846677 /nfs/dbraw/zinc/84/66/77/1060846677.db2.gz WXNNCCOXIDFRKN-ZDUSSCGKSA-N -1 3 387.509 3.533 20 10 GHCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC(c2ccco2)CC1 ZINC001351382334 1064420586 /nfs/dbraw/zinc/42/05/86/1064420586.db2.gz FGQPBUFOCUKCIR-UHFFFAOYSA-N -1 3 381.461 3.774 20 10 GHCDHM Cc1cc(C(=O)N[C@@H](C)c2cccs2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737232595 598610409 /nfs/dbraw/zinc/61/04/09/598610409.db2.gz BTKINAGBHAPURK-ZDUSSCGKSA-N -1 3 392.488 3.827 20 10 GHCDHM CC(C)N1CCN(c2cccc(NC(=O)c3ccccc3NC(=O)[O-])c2)CC1 ZINC000833498277 604505536 /nfs/dbraw/zinc/50/55/36/604505536.db2.gz DFLKUBCUUJBCQR-UHFFFAOYSA-N -1 3 382.464 3.559 20 10 GHCDHM C[S@](=O)C[C@H](NCc1cc(Br)cc(F)c1[O-])c1ccccc1 ZINC000894424443 851286906 /nfs/dbraw/zinc/28/69/06/851286906.db2.gz GFCVGTNEVTZXLX-NYHFZMIOSA-N -1 3 386.286 3.503 20 10 GHCDHM [O-]c1ccc2ccncc2c1CN1CCC[C@@H]1c1ncc(Br)cn1 ZINC000905734458 856523277 /nfs/dbraw/zinc/52/32/77/856523277.db2.gz FEFBUMNMNKOEOC-MRXNPFEDSA-N -1 3 385.265 3.830 20 10 GHCDHM CNC(=O)COc1ccc(NCc2cc(C)cc(Br)c2[O-])c(C)c1 ZINC000793397022 882170775 /nfs/dbraw/zinc/17/07/75/882170775.db2.gz AXGNNHDCSZQQOO-UHFFFAOYSA-N -1 3 393.281 3.508 20 10 GHCDHM CC(=O)Nc1ccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c(C)c1 ZINC001192509771 870444967 /nfs/dbraw/zinc/44/49/67/870444967.db2.gz XCEJFZAEHHMDNB-UHFFFAOYSA-N -1 3 383.835 3.791 20 10 GHCDHM CC(C)c1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)on1 ZINC000768916933 873686658 /nfs/dbraw/zinc/68/66/58/873686658.db2.gz VCNJHUIJQHKVIF-HNNXBMFYSA-N -1 3 377.872 3.551 20 10 GHCDHM Cc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c(C)n1-c1cccc(C)c1 ZINC000745465948 882750088 /nfs/dbraw/zinc/75/00/88/882750088.db2.gz ANSULMZFKNIPHO-UHFFFAOYSA-N -1 3 386.459 3.513 20 10 GHCDHM Cc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c(C)n1-c1cccc(C)c1 ZINC000745465948 882750102 /nfs/dbraw/zinc/75/01/02/882750102.db2.gz ANSULMZFKNIPHO-UHFFFAOYSA-N -1 3 386.459 3.513 20 10 GHCDHM CC(C)c1ocnc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000771059468 875014392 /nfs/dbraw/zinc/01/43/92/875014392.db2.gz RQBOXOSYDVHEMK-OAHLLOKOSA-N -1 3 377.872 3.551 20 10 GHCDHM C[C@@]1(O)CCCCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC001203562203 912381947 /nfs/dbraw/zinc/38/19/47/912381947.db2.gz DYAWGGPZSIJNRD-CQSZACIVSA-N -1 3 393.119 3.654 20 10 GHCDHM O=C(CNCc1c([O-])ccc(Cl)c1F)Nc1ccc(Br)cc1 ZINC000790949087 880094488 /nfs/dbraw/zinc/09/44/88/880094488.db2.gz PTHWARFEPKRTOA-UHFFFAOYSA-N -1 3 387.636 3.676 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)c1[O-] ZINC000859580592 883912224 /nfs/dbraw/zinc/91/22/24/883912224.db2.gz SVVFWJBBJZCJAR-JOCHJYFZSA-N -1 3 383.419 3.734 20 10 GHCDHM O=C(c1ccsc1)N1CCCN(Cc2c([O-])cccc2Br)CC1 ZINC000862228330 886225672 /nfs/dbraw/zinc/22/56/72/886225672.db2.gz AJWVBZBOKLDEJO-UHFFFAOYSA-N -1 3 395.322 3.564 20 10 GHCDHM COc1ccc(N[C@@H](C)c2cc(Cl)cc(C)c2O)cc1[N-]S(C)(=O)=O ZINC000808713851 886697273 /nfs/dbraw/zinc/69/72/73/886697273.db2.gz SFIDKZQCWWHTHK-NSHDSACASA-N -1 3 384.885 3.907 20 10 GHCDHM CCN(Cc1ncc(CN(C)C)s1)Cc1cc(Br)ccc1[O-] ZINC000809592895 887599585 /nfs/dbraw/zinc/59/95/85/887599585.db2.gz RTHLNEQWRRKEMT-UHFFFAOYSA-N -1 3 384.343 3.695 20 10 GHCDHM COc1ccc2c(c1)C(=O)N(C1CC1)[C@@H](c1c([O-])cccc1Br)N2 ZINC000877851251 893853250 /nfs/dbraw/zinc/85/32/50/893853250.db2.gz ASAUUHQEEKENPH-KRWDZBQOSA-N -1 3 389.249 3.892 20 10 GHCDHM CC[C@H](NCc1ncn(-c2ccccc2)n1)c1cc(Br)ccc1[O-] ZINC000815658054 894072690 /nfs/dbraw/zinc/07/26/90/894072690.db2.gz QYLUDPDKNFLPSO-INIZCTEOSA-N -1 3 387.281 3.976 20 10 GHCDHM CN(c1ccc(CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1)C1CCCCC1 ZINC000816908309 895197099 /nfs/dbraw/zinc/19/70/99/895197099.db2.gz ZGFSPIIGQNDXPT-UHFFFAOYSA-N -1 3 380.492 3.759 20 10 GHCDHM COc1c([O-])c(CN2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774906625 913995079 /nfs/dbraw/zinc/99/50/79/913995079.db2.gz CJCBKTGVIPVNJZ-KXBFYZLASA-N -1 3 386.448 3.888 20 10 GHCDHM COc1ccc(-n2c(C)cc(C(=O)Nc3[nH][n-]c4cc(=O)ccc3-4)c2C)cc1 ZINC000820218050 897245641 /nfs/dbraw/zinc/24/56/41/897245641.db2.gz DKCQGRNCJIPTJL-UHFFFAOYSA-N -1 3 376.416 3.937 20 10 GHCDHM Fc1ccc(NC(=S)NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1Cl ZINC000826375636 898654036 /nfs/dbraw/zinc/65/40/36/898654036.db2.gz VUKGYAIJZGXWKX-UHFFFAOYSA-N -1 3 398.254 3.626 20 10 GHCDHM Fc1ccc(NC(=S)NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1Cl ZINC000826375636 898654044 /nfs/dbraw/zinc/65/40/44/898654044.db2.gz VUKGYAIJZGXWKX-UHFFFAOYSA-N -1 3 398.254 3.626 20 10 GHCDHM Cc1cccc(NC(=O)CN(C)Cc2ccc(Br)cc2[O-])c1C ZINC000824521015 899656753 /nfs/dbraw/zinc/65/67/53/899656753.db2.gz AJXXVUNWZUZMMK-UHFFFAOYSA-N -1 3 377.282 3.842 20 10 GHCDHM CC[C@@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000844213308 900608631 /nfs/dbraw/zinc/60/86/31/900608631.db2.gz WPKWZEGUTGQRHR-ZMOVQZPESA-N -1 3 395.459 3.793 20 10 GHCDHM C[C@H](NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)c1c([O-])cccc1F ZINC000886601636 901184259 /nfs/dbraw/zinc/18/42/59/901184259.db2.gz YGQMQPOWLFDNRA-JTQLQIEISA-N -1 3 391.386 3.804 20 10 GHCDHM O=C(C[C@@H]1OC(=O)c2ccccc21)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001180187606 909982520 /nfs/dbraw/zinc/98/25/20/909982520.db2.gz JVOXAOFBYBXJHO-INIZCTEOSA-N -1 3 382.803 3.512 20 10 GHCDHM CN(Cc1cc(F)cc(F)c1[O-])C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001180165844 910003066 /nfs/dbraw/zinc/00/30/66/910003066.db2.gz KGZKDMITDGJIJL-CQSZACIVSA-N -1 3 391.336 3.561 20 10 GHCDHM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)c1 ZINC000775291166 916838248 /nfs/dbraw/zinc/83/82/48/916838248.db2.gz CHFPMZWMYIHAKZ-UHFFFAOYSA-N -1 3 377.462 3.522 20 10 GHCDHM O=c1n2ccccc2nn1Cc1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000119553892 919638361 /nfs/dbraw/zinc/63/83/61/919638361.db2.gz YORLLMMYMSDDHF-UHFFFAOYSA-N -1 3 380.835 3.515 20 10 GHCDHM CC(=O)NCCN(Cc1ccsc1)Cc1cc(C)cc(Br)c1[O-] ZINC000802652694 922307575 /nfs/dbraw/zinc/30/75/75/922307575.db2.gz JRQIQNISNSYAMX-UHFFFAOYSA-N -1 3 397.338 3.663 20 10 GHCDHM CC(C)[C@H](N[C@@H](C)c1cc(Br)cc(Cl)c1[O-])c1nncn1C ZINC000903065626 922741384 /nfs/dbraw/zinc/74/13/84/922741384.db2.gz RIOQPTRDKXHDTH-ZANVPECISA-N -1 3 387.709 3.985 20 10 GHCDHM CC[C@@H]([NH2+][C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000903399190 922989783 /nfs/dbraw/zinc/98/97/83/922989783.db2.gz VVSRFIBMQQXILW-GXFFZTMASA-N -1 3 383.279 3.514 20 10 GHCDHM COC(=O)CN(Cc1ccc([N+](=O)[O-])cc1Cl)Cc1cc(Cl)ccc1[O-] ZINC000782483499 931237687 /nfs/dbraw/zinc/23/76/87/931237687.db2.gz WAMXCKLHKCKZMI-UHFFFAOYSA-N -1 3 399.230 3.782 20 10 GHCDHM O=S(=O)([N-]c1ccc(O)cc1F)c1cc(Cl)ccc1Br ZINC000797431949 932282744 /nfs/dbraw/zinc/28/27/44/932282744.db2.gz DEWMWWMOOMCKRP-UHFFFAOYSA-N -1 3 380.622 3.748 20 10 GHCDHM CC(=O)c1cc(F)cc(CN(CCc2ccccn2)Cc2cccnc2)c1[O-] ZINC000797530417 932322417 /nfs/dbraw/zinc/32/24/17/932322417.db2.gz FESYIBPYNGVQLI-UHFFFAOYSA-N -1 3 379.435 3.769 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1 ZINC000797604400 932342176 /nfs/dbraw/zinc/34/21/76/932342176.db2.gz FJTHDNFUJQPWIM-DEYYWGMASA-N -1 3 384.314 3.622 20 10 GHCDHM CCCc1occc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000798980886 932847452 /nfs/dbraw/zinc/84/74/52/932847452.db2.gz CSLRTNARNPMOMO-MRXNPFEDSA-N -1 3 376.884 3.986 20 10 GHCDHM Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC001116651581 933683727 /nfs/dbraw/zinc/68/37/27/933683727.db2.gz NWZWDLRENLRMGW-UHFFFAOYSA-N -1 3 397.788 3.814 20 10 GHCDHM C[C@@H]1C[C@@H](C)N(c2nnc(-c3sc4ncccc4c3[O-])n2C[C@@H]2CCOC2)C1 ZINC001123030932 935061138 /nfs/dbraw/zinc/06/11/38/935061138.db2.gz OWHDMTGIZMASJC-MCIONIFRSA-N -1 3 399.520 3.532 20 10 GHCDHM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2c([O-])cccc2F)C[C@@H]1C(F)(F)F ZINC001137840350 935817714 /nfs/dbraw/zinc/81/77/14/935817714.db2.gz YMZBWTHHMDNOGZ-GXTWGEPZSA-N -1 3 392.393 3.809 20 10 GHCDHM [O-]c1cccc(F)c1CN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001137840308 935817757 /nfs/dbraw/zinc/81/77/57/935817757.db2.gz WXCJAUMJEJLTEH-UHFFFAOYSA-N -1 3 384.373 3.748 20 10 GHCDHM CC(C)OCc1cc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)ccc1O ZINC000829973695 935886848 /nfs/dbraw/zinc/88/68/48/935886848.db2.gz IZDDTXWFTVIRAP-UHFFFAOYSA-N -1 3 377.462 3.659 20 10 GHCDHM COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@](C(=O)[O-])(c4ccccc4)C3)c2c1 ZINC001599636986 994302505 /nfs/dbraw/zinc/30/25/05/994302505.db2.gz ZUCRGHLUDMEWMJ-HSZRJFAPSA-N -1 3 377.440 3.782 20 10 GHCDHM COc1ccc2ccc([O-])c(C[N@H+]3CC[C@](C(=O)[O-])(c4ccccc4)C3)c2c1 ZINC001599636986 994302516 /nfs/dbraw/zinc/30/25/16/994302516.db2.gz ZUCRGHLUDMEWMJ-HSZRJFAPSA-N -1 3 377.440 3.782 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001205061253 1033231552 /nfs/dbraw/zinc/23/15/52/1033231552.db2.gz QEYAHTOMHLKQPL-AWEZNQCLSA-N -1 3 399.329 3.904 20 10 GHCDHM CCOC[C@@H]1CN(Cc2cc(Br)ccc2[O-])Cc2c1cnn2CC ZINC001203640328 1027499502 /nfs/dbraw/zinc/49/95/02/1027499502.db2.gz XAVPQAJXJRBNHC-AWEZNQCLSA-N -1 3 394.313 3.507 20 10 GHCDHM CCOC[C@@H]1CN(Cc2cc(Cl)ccc2[O-])Cc2c1cnn2CC1CC1 ZINC001203656512 1027511060 /nfs/dbraw/zinc/51/10/60/1027511060.db2.gz QVTSIMMECGMINN-INIZCTEOSA-N -1 3 375.900 3.788 20 10 GHCDHM CCOC[C@@H]1CN(Cc2cc(Cl)ccc2[O-])Cc2cn(CC3CC3)nc21 ZINC001203656555 1027512272 /nfs/dbraw/zinc/51/22/72/1027512272.db2.gz SKVHMNBRLNKDCB-KRWDZBQOSA-N -1 3 375.900 3.788 20 10 GHCDHM CCOc1cc(Br)ccc1-c1noc(-c2ccc(O)c(O)c2[O-])n1 ZINC001215325440 1029153365 /nfs/dbraw/zinc/15/33/65/1029153365.db2.gz SRCLSSIQDFKRDE-UHFFFAOYSA-N -1 3 393.193 3.682 20 10 GHCDHM Cc1ccc(-c2noc([C@H](C)NC(=O)NCc3c([O-])cccc3F)n2)cc1F ZINC001223899226 1030799580 /nfs/dbraw/zinc/79/95/80/1030799580.db2.gz OCMVQQUGBNZEBA-NSHDSACASA-N -1 3 388.374 3.589 20 10 GHCDHM C[C@@H]1NC[C@@H]1Oc1cc2c(-c3ccccc3)c3cc(O)c([O-])cc3oc-2cc1=O ZINC001218386481 1030915388 /nfs/dbraw/zinc/91/53/88/1030915388.db2.gz NFHDFRCOAFMEBV-YTEVENLXSA-N -1 3 389.407 3.715 20 10 GHCDHM CC(C)N1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc3c(c1)C(=O)c1ccc([O-])cc1C3=O)C2 ZINC001229192174 1033332351 /nfs/dbraw/zinc/33/23/51/1033332351.db2.gz HXQZMGMGILCLTK-HWWDLCQESA-N -1 3 391.467 3.950 20 10 GHCDHM Cc1cc(O[C@H]2CCCC3(C2)OCCO3)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229542259 1033550246 /nfs/dbraw/zinc/55/02/46/1033550246.db2.gz KSJVJPHJBXVFFA-AWEZNQCLSA-N -1 3 394.423 3.541 20 10 GHCDHM Cc1cc([O-])c(CN2CCc3onc(C(=O)Nc4cccnc4)c3C2)cc1Cl ZINC001231869598 1034956183 /nfs/dbraw/zinc/95/61/83/1034956183.db2.gz RVDPYHWYIMFWRK-UHFFFAOYSA-N -1 3 398.850 3.548 20 10 GHCDHM COC(=O)CN(C/C=C\c1ccc(N(C)C)cc1)Cc1cc(Cl)ccc1[O-] ZINC001461973642 1069923881 /nfs/dbraw/zinc/92/38/81/1069923881.db2.gz HFYFAYHBJXJHFF-PLNGDYQASA-N -1 3 388.895 3.800 20 10 GHCDHM CS(=O)(=O)c1cccc([C@@H]2CCCN(Cc3cc(Cl)c([O-])cc3O)C2)c1 ZINC001232263225 1037985020 /nfs/dbraw/zinc/98/50/20/1037985020.db2.gz KUAINCRGAYJFLV-CQSZACIVSA-N -1 3 395.908 3.534 20 10 GHCDHM COc1cc([O-])c(CN2CCCn3cnc(COC(C)C)c3C2)cc1Cl ZINC001232265198 1037986691 /nfs/dbraw/zinc/98/66/91/1037986691.db2.gz RBQCSAJEQHKQDU-UHFFFAOYSA-N -1 3 379.888 3.582 20 10 GHCDHM COc1cc([O-])c(CN2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)cc1Cl ZINC001232265687 1037986854 /nfs/dbraw/zinc/98/68/54/1037986854.db2.gz AFUWIVQUZHLQOH-FBBABVLZSA-N -1 3 395.927 3.993 20 10 GHCDHM CCOC(=O)c1cc2c(s1)CCN(Cc1cc(Cl)c(OC)cc1[O-])C2 ZINC001232269711 1037993906 /nfs/dbraw/zinc/99/39/06/1037993906.db2.gz IMNUXSNVEOQKMP-UHFFFAOYSA-N -1 3 381.881 3.851 20 10 GHCDHM COc1cc([O-])c(CN2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1Cl ZINC001232269581 1037994073 /nfs/dbraw/zinc/99/40/73/1037994073.db2.gz FOBBBVDGKFMXGJ-BETUJISGSA-N -1 3 384.904 3.884 20 10 GHCDHM CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](NCc2ccc(Cl)cc2[O-])C1 ZINC001462244887 1070115708 /nfs/dbraw/zinc/11/57/08/1070115708.db2.gz DVNIVILQXLKCGW-CQSZACIVSA-N -1 3 376.831 3.780 20 10 GHCDHM Cc1cnc2n1CCC21CCN(Cc2c([O-])cc(Br)cc2F)CC1 ZINC001233030136 1038782693 /nfs/dbraw/zinc/78/26/93/1038782693.db2.gz XADCKDFEDCEHHN-UHFFFAOYSA-N -1 3 394.288 3.736 20 10 GHCDHM CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3cccc(C(F)(F)F)c3[O-])[C@@H]2C1 ZINC001233416297 1039271245 /nfs/dbraw/zinc/27/12/45/1039271245.db2.gz CNCKDQGMTVSLQI-SWLSCSKDSA-N -1 3 386.414 3.852 20 10 GHCDHM CCOC[C@H]1CN(Cc2ccc(C(F)(F)F)cc2[O-])Cc2nn(CC)cc21 ZINC001233453206 1039339018 /nfs/dbraw/zinc/33/90/18/1039339018.db2.gz YVONPGHNYKFWNO-CQSZACIVSA-N -1 3 383.414 3.763 20 10 GHCDHM CCOC(=O)c1nc2c(s1)CN(Cc1ccc(C(F)(F)F)cc1[O-])CC2 ZINC001233455053 1039345988 /nfs/dbraw/zinc/34/59/88/1039345988.db2.gz UHGZPKAGLCVPRL-UHFFFAOYSA-N -1 3 386.395 3.603 20 10 GHCDHM CCCC(=O)c1cc(O)c([O-])cc1OC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001233494253 1039386363 /nfs/dbraw/zinc/38/63/63/1039386363.db2.gz AXKRXBWJICENFQ-SFHVURJKSA-N -1 3 399.487 3.751 20 10 GHCDHM O=C1C[C@]2(CN1CC(F)F)CCCCN2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001277830697 1039820741 /nfs/dbraw/zinc/82/07/41/1039820741.db2.gz RUBAOASIDXYZGP-KRWDZBQOSA-N -1 3 393.261 3.921 20 10 GHCDHM CCN(CCNC(=O)OC(C)(C)C)Cc1cc(F)cc(Br)c1[O-] ZINC001235305546 1040779161 /nfs/dbraw/zinc/77/91/61/1040779161.db2.gz NHFUZXGSBKWAIO-UHFFFAOYSA-N -1 3 391.281 3.640 20 10 GHCDHM CC(C)(C)OC(=O)NC[C@@H]1[C@H]2CN(Cc3cc(Cl)c(Cl)cc3[O-])C[C@H]21 ZINC001236792142 1041897914 /nfs/dbraw/zinc/89/79/14/1041897914.db2.gz CFXOUFCYPQPHSI-XYYAHUGASA-N -1 3 387.307 3.902 20 10 GHCDHM Cc1cnc2n1CCN(C)C21CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236792884 1041897974 /nfs/dbraw/zinc/89/79/74/1041897974.db2.gz IWXULIPYOKLLEZ-UHFFFAOYSA-N -1 3 395.334 3.641 20 10 GHCDHM COc1ccc(CN2CC[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1Cl ZINC001236803260 1041905213 /nfs/dbraw/zinc/90/52/13/1041905213.db2.gz YHZTYSLQMMQWJJ-UKRRQHHQSA-N -1 3 396.915 3.886 20 10 GHCDHM COc1ccc(CN2CCC3(CC2)OC(=O)Nc2ncccc23)c([O-])c1Cl ZINC001236808461 1041908735 /nfs/dbraw/zinc/90/87/35/1041908735.db2.gz AZYALYFDSVUITI-UHFFFAOYSA-N -1 3 389.839 3.503 20 10 GHCDHM [O-]c1cc2ccccc2cc1CN1CCOC[C@@H]1c1nccc(N2CCCC2)n1 ZINC001236828621 1041919836 /nfs/dbraw/zinc/91/98/36/1041919836.db2.gz BKXDOZFRZKQCKN-HXUWFJFHSA-N -1 3 390.487 3.509 20 10 GHCDHM Cc1cc([O-])c(CN2CC[C@H]2N(C)C(=O)OC(C)(C)C)cc1Br ZINC001237687042 1042328110 /nfs/dbraw/zinc/32/81/10/1042328110.db2.gz YZAYBQXDTNNKFH-HNNXBMFYSA-N -1 3 385.302 3.862 20 10 GHCDHM O=C1[C@H](NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1c1cccc(Cl)c1 ZINC000749922852 1047889615 /nfs/dbraw/zinc/88/96/15/1047889615.db2.gz DUJRZNKBYBBORP-CQSZACIVSA-N -1 3 396.230 3.502 20 10 GHCDHM CCOC(=O)[C@H](Cc1ccccc1Cl)NCc1cc(F)cc(C(C)=O)c1[O-] ZINC001307984616 1049740048 /nfs/dbraw/zinc/74/00/48/1049740048.db2.gz NZEGQLDYDJTSSC-SFHVURJKSA-N -1 3 393.842 3.651 20 10 GHCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@@H]1c1ccc(O)cc1 ZINC001339381241 1059158312 /nfs/dbraw/zinc/15/83/12/1059158312.db2.gz MBJBITGFQOBEHM-OAHLLOKOSA-N -1 3 393.472 3.845 20 10 GHCDHM O=C1N[C@@H](c2ccc(Br)cc2[O-])Nc2ccc(Br)cc21 ZINC001349632396 1063838438 /nfs/dbraw/zinc/83/84/38/1063838438.db2.gz ILCSYQCKUBXSOO-ZDUSSCGKSA-N -1 3 398.054 3.771 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)Nc1nnc(SCc2ccccc2)s1 ZINC001465040849 1065346840 /nfs/dbraw/zinc/34/68/40/1065346840.db2.gz FLBRYEYSRMKQPX-UHFFFAOYSA-N -1 3 390.465 3.997 20 10 GHCDHM COC(=O)CN(Cc1c(C)nc2scc(C)n21)Cc1cc(Cl)ccc1[O-] ZINC001474379716 1074375751 /nfs/dbraw/zinc/37/57/51/1074375751.db2.gz GEISCUVKIIBAMA-UHFFFAOYSA-N -1 3 393.896 3.547 20 10 GHCDHM COc1c(C)cnc(CN(C)Cc2cc(Br)cc(F)c2[O-])c1C ZINC001474432850 1074403732 /nfs/dbraw/zinc/40/37/32/1074403732.db2.gz LZPINWIMPBGMMB-UHFFFAOYSA-N -1 3 383.261 3.946 20 10 GHCDHM Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227959 598610419 /nfs/dbraw/zinc/61/04/19/598610419.db2.gz RBGGXFNBUQFFDC-XOBRGWDASA-N -1 3 392.507 3.925 20 10 GHCDHM Cc1cc(C(=O)N(C)c2ccc(C)cc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737347853 598612248 /nfs/dbraw/zinc/61/22/48/598612248.db2.gz ROHOXTZCKTYRIQ-UHFFFAOYSA-N -1 3 386.459 3.859 20 10 GHCDHM CCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506401 599309647 /nfs/dbraw/zinc/30/96/47/599309647.db2.gz XFRXQMNERCOPPV-UHFFFAOYSA-N -1 3 386.459 3.941 20 10 GHCDHM CCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506401 599309649 /nfs/dbraw/zinc/30/96/49/599309649.db2.gz XFRXQMNERCOPPV-UHFFFAOYSA-N -1 3 386.459 3.941 20 10 GHCDHM O=C(c1ccccc1)c1ccc([O-])c(C[NH+]2CCC(N3CCCCC3)CC2)c1[O-] ZINC000728198632 835098773 /nfs/dbraw/zinc/09/87/73/835098773.db2.gz ONHRKCDXYITTSM-UHFFFAOYSA-N -1 3 394.515 3.779 20 10 GHCDHM C[C@H](NCc1cccc(N2CCOCC2)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000274800302 835387227 /nfs/dbraw/zinc/38/72/27/835387227.db2.gz VDFRMGDZEPISGR-LBPRGKRZSA-N -1 3 382.291 3.781 20 10 GHCDHM CN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cc(O)cc(Br)c1[O-] ZINC000124748023 841021638 /nfs/dbraw/zinc/02/16/38/841021638.db2.gz UOZRVIVBNGKNKP-AWEZNQCLSA-N -1 3 383.629 3.710 20 10 GHCDHM CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)c1ccc2c(c1)OCO2 ZINC000121262727 843194252 /nfs/dbraw/zinc/19/42/52/843194252.db2.gz KBZRPOBEMRUKJH-UHFFFAOYSA-N -1 3 381.413 3.610 20 10 GHCDHM Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3cccc(O)c3[O-])c2)cc1 ZINC000186985505 862781356 /nfs/dbraw/zinc/78/13/56/862781356.db2.gz AJMPUUIGDGWEDV-UHFFFAOYSA-N -1 3 376.412 3.589 20 10 GHCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cccnc1C(F)F ZINC000897076311 864422443 /nfs/dbraw/zinc/42/24/43/864422443.db2.gz YPHOWVHXECDQJQ-AWEZNQCLSA-N -1 3 395.837 3.773 20 10 GHCDHM C[C@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1 ZINC000857048113 881959749 /nfs/dbraw/zinc/95/97/49/881959749.db2.gz VFFVSWNHNGNUFH-ZDUSSCGKSA-N -1 3 394.393 3.739 20 10 GHCDHM CCN(CC(=O)Nc1ccccc1F)Cc1cc(Br)ccc1[O-] ZINC000743871130 868468385 /nfs/dbraw/zinc/46/83/85/868468385.db2.gz RVYRHDHCUYGLMV-UHFFFAOYSA-N -1 3 381.245 3.754 20 10 GHCDHM CS(=O)(=O)Cc1cccc(NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001168525953 870828833 /nfs/dbraw/zinc/82/88/33/870828833.db2.gz NAHOXRYFPMFSCE-UHFFFAOYSA-N -1 3 376.865 3.751 20 10 GHCDHM CCOC(=O)c1ccc2c(c1)N(Cc1cc(Cl)cc(C(C)=O)c1[O-])CCO2 ZINC001193374334 871061799 /nfs/dbraw/zinc/06/17/99/871061799.db2.gz RJYONMOHAOQCOG-UHFFFAOYSA-N -1 3 389.835 3.824 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C2)c1[O-] ZINC001193438496 871085792 /nfs/dbraw/zinc/08/57/92/871085792.db2.gz WXDOBHYPECCUPQ-GOSISDBHSA-N -1 3 394.487 3.811 20 10 GHCDHM CCOC(=O)c1cc(NC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)[n-]n1 ZINC001195256047 872285647 /nfs/dbraw/zinc/28/56/47/872285647.db2.gz ZXPSRJYNYDYZJD-QURGRASLSA-N -1 3 379.376 3.960 20 10 GHCDHM CCOC(=O)c1cc(NC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)n[n-]1 ZINC001195256047 872285662 /nfs/dbraw/zinc/28/56/62/872285662.db2.gz ZXPSRJYNYDYZJD-QURGRASLSA-N -1 3 379.376 3.960 20 10 GHCDHM O=S(=O)([N-]c1ccc(O)cc1F)c1ccc(Br)cc1Cl ZINC000070333321 872339491 /nfs/dbraw/zinc/33/94/91/872339491.db2.gz UUVOPVJKKCCUHU-UHFFFAOYSA-N -1 3 380.622 3.748 20 10 GHCDHM CC(C)c1ccc(C(C)(C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000769775952 874270702 /nfs/dbraw/zinc/27/07/02/874270702.db2.gz ACJVEPPOMHIMDU-UHFFFAOYSA-N -1 3 390.505 3.552 20 10 GHCDHM CCOc1ccccc1Oc1ccc(CNC(=O)c2cccc(O)c2[O-])cn1 ZINC000776334999 876285457 /nfs/dbraw/zinc/28/54/57/876285457.db2.gz FRTKMLFRNFEHIS-UHFFFAOYSA-N -1 3 380.400 3.614 20 10 GHCDHM CN(Cc1cccc(Br)c1[O-])[C@@H]1CCN(c2ccccc2F)C1=O ZINC000093385554 912233072 /nfs/dbraw/zinc/23/30/72/912233072.db2.gz IORQWUJZXMXSRB-MRXNPFEDSA-N -1 3 393.256 3.531 20 10 GHCDHM CCN(Cc1cc(Br)ccc1[O-])[C@H](C(=O)OC)c1ccsc1 ZINC000789295811 878810255 /nfs/dbraw/zinc/81/02/55/878810255.db2.gz YSQYNLNWCSHUJJ-HNNXBMFYSA-N -1 3 384.295 3.952 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000790573182 879832392 /nfs/dbraw/zinc/83/23/92/879832392.db2.gz WCHOKDYPKVBOEA-AWEZNQCLSA-N -1 3 376.250 3.708 20 10 GHCDHM CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)c3cccc(O)c3[O-])cc2)cc1 ZINC000790626955 879893646 /nfs/dbraw/zinc/89/36/46/879893646.db2.gz LEQZICPTSCDCIS-UHFFFAOYSA-N -1 3 399.424 3.546 20 10 GHCDHM O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1cccc(O)c1[O-] ZINC000790919422 880063014 /nfs/dbraw/zinc/06/30/14/880063014.db2.gz XDGRZMVOCPERLA-CYBMUJFWSA-N -1 3 377.265 3.733 20 10 GHCDHM COc1ccc([C@H](NC(=O)c2cccc(O)c2[O-])c2ccccc2OC)cc1 ZINC000790903488 880078413 /nfs/dbraw/zinc/07/84/13/880078413.db2.gz HIBBWAVFFGAKJR-FQEVSTJZSA-N -1 3 379.412 3.634 20 10 GHCDHM CN1CCO[C@H]([C@@H](NCc2c([O-])ccc(Cl)c2F)c2ccc(Cl)cc2)C1 ZINC000790982141 880140815 /nfs/dbraw/zinc/14/08/15/880140815.db2.gz RBMNYKOKFMINCF-HKUYNNGSSA-N -1 3 399.293 4.000 20 10 GHCDHM CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792170223 880960474 /nfs/dbraw/zinc/96/04/74/880960474.db2.gz QCYQTQWIONNHGW-NSHDSACASA-N -1 3 396.812 3.808 20 10 GHCDHM C[C@H](NC(c1ccnn1C)c1ccnn1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000858587060 883216938 /nfs/dbraw/zinc/21/69/38/883216938.db2.gz ZTQBBALTRFTSQV-JTQLQIEISA-N -1 3 380.279 3.606 20 10 GHCDHM CC(C)(C)OC(=O)N1CCCC2(CN(Cc3cc(F)c(F)cc3[O-])C2)CC1 ZINC001142527227 884541638 /nfs/dbraw/zinc/54/16/38/884541638.db2.gz OUXYXUPDTGPWAT-UHFFFAOYSA-N -1 3 382.451 3.893 20 10 GHCDHM CN(Cc1ccccc1N1CCOCC1)Cc1c([O-])cccc1Br ZINC000862214053 886213794 /nfs/dbraw/zinc/21/37/94/886213794.db2.gz CKMGOTQHWWLGLA-UHFFFAOYSA-N -1 3 391.309 3.623 20 10 GHCDHM COc1ccc(N[C@H](C)c2cc(Cl)cc(C)c2O)cc1[N-]S(C)(=O)=O ZINC000808713850 886696851 /nfs/dbraw/zinc/69/68/51/886696851.db2.gz SFIDKZQCWWHTHK-LLVKDONJSA-N -1 3 384.885 3.907 20 10 GHCDHM [O-]c1c(F)cc(Cl)cc1CN[C@H](CO)c1ccc(Br)c(F)c1 ZINC000814177433 892341769 /nfs/dbraw/zinc/34/17/69/892341769.db2.gz BUYYGGXVIBUBQY-CQSZACIVSA-N -1 3 392.627 3.910 20 10 GHCDHM COc1cc(Br)c(CNCc2ccc(F)c(F)c2[O-])cc1OC ZINC000877024021 893442107 /nfs/dbraw/zinc/44/21/07/893442107.db2.gz OAMJVKVVZBHKLK-UHFFFAOYSA-N -1 3 388.208 3.740 20 10 GHCDHM Cc1cc(CN[C@H](C)c2cccc(C(F)(F)F)c2[O-])nc(N2CCCC2)n1 ZINC000815628616 894059694 /nfs/dbraw/zinc/05/96/94/894059694.db2.gz FWFAUKLIVXJXIK-CYBMUJFWSA-N -1 3 380.414 3.960 20 10 GHCDHM CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000748049650 894560811 /nfs/dbraw/zinc/56/08/11/894560811.db2.gz NRCKZIZNSWQJIO-HIFRSBDPSA-N -1 3 380.916 3.765 20 10 GHCDHM CSCC[C@@H](NCc1cc(Cl)c(F)cc1[O-])c1nnc2ccccn21 ZINC000816530432 894896681 /nfs/dbraw/zinc/89/66/81/894896681.db2.gz ICPQENYOGVIZCL-CQSZACIVSA-N -1 3 380.876 3.811 20 10 GHCDHM C[C@H]1CN(c2ccc(CNCc3c(F)ccc([O-])c3F)cc2F)C[C@H](C)O1 ZINC000816535985 894906397 /nfs/dbraw/zinc/90/63/97/894906397.db2.gz ILDBIGMMMMHIRI-STQMWFEESA-N -1 3 380.410 3.713 20 10 GHCDHM CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001136025639 895926342 /nfs/dbraw/zinc/92/63/42/895926342.db2.gz SELYFLZRJSBBKX-UHFFFAOYSA-N -1 3 397.425 3.679 20 10 GHCDHM COC(=O)c1ccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c(C)c1 ZINC001185768554 914072327 /nfs/dbraw/zinc/07/23/27/914072327.db2.gz JIHACYTWMQIZBX-UHFFFAOYSA-N -1 3 384.819 3.619 20 10 GHCDHM COc1c([O-])c(CNCc2cc(Br)ccc2F)ccc1[N+](=O)[O-] ZINC000774946270 914146581 /nfs/dbraw/zinc/14/65/81/914146581.db2.gz AKWOIQWEPVMVNH-UHFFFAOYSA-N -1 3 385.189 3.500 20 10 GHCDHM COc1c([O-])c(CNCc2nc3cc(Cl)ccc3s2)ccc1[N+](=O)[O-] ZINC000774981704 914334237 /nfs/dbraw/zinc/33/42/37/914334237.db2.gz JQPBOKWYVZIQBW-UHFFFAOYSA-N -1 3 379.825 3.862 20 10 GHCDHM [O-]c1ccc(Br)cc1CNc1cc(C(F)(F)F)nc(=S)[nH]1 ZINC001171174403 902044569 /nfs/dbraw/zinc/04/45/69/902044569.db2.gz SGDVKLLNHLMPJE-UHFFFAOYSA-N -1 3 380.189 3.864 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](c3nncn3C(C)C)C2)c1[O-] ZINC000180620808 906802746 /nfs/dbraw/zinc/80/27/46/906802746.db2.gz ZFNVLTJUHORNCG-CQSZACIVSA-N -1 3 376.888 3.800 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1c(F)ccc(F)c1F ZINC000773409591 907221515 /nfs/dbraw/zinc/22/15/15/907221515.db2.gz ZSQUXAUMMQLJNO-CYBMUJFWSA-N -1 3 398.812 3.857 20 10 GHCDHM Cc1cc([O-])c(CN2CCN(Cc3cccc(Cl)c3)C(=O)C2)cc1Cl ZINC001180112433 909966768 /nfs/dbraw/zinc/96/67/68/909966768.db2.gz KDMIRDYSDCTBEC-UHFFFAOYSA-N -1 3 379.287 3.852 20 10 GHCDHM COC(=O)[C@H]1CC12CCN(Cc1cc(Cl)cc(Br)c1[O-])CC2 ZINC001204299615 910838057 /nfs/dbraw/zinc/83/80/57/910838057.db2.gz ZJDVYXDJAKBCGO-GFCCVEGCSA-N -1 3 388.689 3.583 20 10 GHCDHM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2[O-])[C@H](c2ccncc2)C1 ZINC000800540304 920256540 /nfs/dbraw/zinc/25/65/40/920256540.db2.gz CFJDNVZROCSKNP-SFHVURJKSA-N -1 3 387.455 3.720 20 10 GHCDHM C[C@H](NCc1cn(C)cn1)c1cc(Br)cc(Br)c1[O-] ZINC000903350680 922949987 /nfs/dbraw/zinc/94/99/87/922949987.db2.gz DJOXDLZUFASLDP-QMMMGPOBSA-N -1 3 389.091 3.502 20 10 GHCDHM CCC(CC)n1ccc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])n1 ZINC000749298290 927042786 /nfs/dbraw/zinc/04/27/86/927042786.db2.gz NYNZDJKTBKKZCV-UHFFFAOYSA-N -1 3 379.888 3.778 20 10 GHCDHM COc1cccc(CN(Cc2cc(F)cc(C(C)=O)c2[O-])C[C@H]2CCCO2)c1 ZINC000750819934 927873599 /nfs/dbraw/zinc/87/35/99/927873599.db2.gz ULUITPVMIFAHMI-HXUWFJFHSA-N -1 3 387.451 3.924 20 10 GHCDHM CC[C@H](N[C@H](C(N)=O)c1cccc(Br)c1)c1ccc(F)cc1[O-] ZINC000796973779 932131924 /nfs/dbraw/zinc/13/19/24/932131924.db2.gz AWVSBRLMLFHBRV-HOCLYGCPSA-N -1 3 381.245 3.561 20 10 GHCDHM COc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1Br ZINC001116826194 933779724 /nfs/dbraw/zinc/77/97/24/933779724.db2.gz YXWKXCCZZCBYJV-UHFFFAOYSA-N -1 3 383.198 3.692 20 10 GHCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001121461251 934663153 /nfs/dbraw/zinc/66/31/53/934663153.db2.gz WDKBPIGFEXBERU-VIFPVBQESA-N -1 3 383.399 3.576 20 10 GHCDHM CCOC(=O)c1cc2cc(N3CCN(Cc4c([O-])cccc4F)CC3)ccc2o1 ZINC001137840295 935817686 /nfs/dbraw/zinc/81/76/86/935817686.db2.gz WIIWRXFGMMTASX-UHFFFAOYSA-N -1 3 398.434 3.776 20 10 GHCDHM C[C@@H](NC1(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])CCOCC1)c1ccccc1 ZINC001593210189 994244288 /nfs/dbraw/zinc/24/42/88/994244288.db2.gz NIOVNIMUCWODJR-IAGOWNOFSA-N -1 3 398.503 3.641 20 10 GHCDHM C[C@@H]([NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593218847 994292430 /nfs/dbraw/zinc/29/24/30/994292430.db2.gz IGRDMEDSMDLCAM-VCANKDNSSA-N -1 3 386.414 3.546 20 10 GHCDHM CCOC[C@@H]1CN(Cc2c([O-])cccc2Cl)Cc2cnn(CC3CC3)c21 ZINC001140339646 1021446906 /nfs/dbraw/zinc/44/69/06/1021446906.db2.gz KIFHNKHFUQDGIY-INIZCTEOSA-N -1 3 375.900 3.788 20 10 GHCDHM Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2ccc(Cl)cc2[O-])n1 ZINC001140466400 1021760267 /nfs/dbraw/zinc/76/02/67/1021760267.db2.gz DDHZZCXKVMPYCV-CEWLAPEOSA-N -1 3 388.895 3.698 20 10 GHCDHM O=S1(=O)CCN(Cc2cc3oc4ccccc4c3cc2[O-])[C@@H]2CCCC[C@H]21 ZINC000754011620 1022421460 /nfs/dbraw/zinc/42/14/60/1022421460.db2.gz KPHCPRJRERQNRV-DYESRHJHSA-N -1 3 385.485 3.833 20 10 GHCDHM COc1ccc2onc(C(=O)NCc3cc(Cl)c4cccnc4c3[O-])c2c1 ZINC001156731816 1033212800 /nfs/dbraw/zinc/21/28/00/1033212800.db2.gz HHLIOFCXTDWVNX-UHFFFAOYSA-N -1 3 383.791 3.674 20 10 GHCDHM Cc1cc(C)c(NC(=O)CNCc2cc(Br)cc(F)c2[O-])c(C)c1 ZINC001461020880 1069340143 /nfs/dbraw/zinc/34/01/43/1069340143.db2.gz OQJDYJNUCIMSQV-UHFFFAOYSA-N -1 3 395.272 3.947 20 10 GHCDHM CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCCN2Cc1cc(Br)ccc1[O-] ZINC001203639719 1027498164 /nfs/dbraw/zinc/49/81/64/1027498164.db2.gz IRVLPVIBPOUTDT-HUUCEWRRSA-N -1 3 397.313 3.738 20 10 GHCDHM O=C(Nc1ccccc1)[C@@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC001203649974 1027504906 /nfs/dbraw/zinc/50/49/06/1027504906.db2.gz KNVLHZYJUVLLJC-INIZCTEOSA-N -1 3 375.266 3.758 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC001203670123 1027522512 /nfs/dbraw/zinc/52/25/12/1027522512.db2.gz RPWAYZJQWHBESY-AWEZNQCLSA-N -1 3 378.272 3.912 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2ccc(NC(=O)C3CC3)nc2)c1 ZINC001461370574 1069521867 /nfs/dbraw/zinc/52/18/67/1069521867.db2.gz WOPDQQOQPAIPBJ-UHFFFAOYSA-N -1 3 376.254 3.819 20 10 GHCDHM Cc1cc(-c2noc(-c3cccc(O)c3[O-])n2)ccc1I ZINC001215145846 1029059000 /nfs/dbraw/zinc/05/90/00/1029059000.db2.gz MQYNZWKTLSUSHI-UHFFFAOYSA-N -1 3 394.168 3.728 20 10 GHCDHM [O-]c1c(O)cc(-c2nc(-c3ccc(Br)c(F)c3F)no2)cc1O ZINC001215327560 1029155179 /nfs/dbraw/zinc/15/51/79/1029155179.db2.gz IGLUUUQWBLZTMB-UHFFFAOYSA-N -1 3 385.120 3.561 20 10 GHCDHM Cc1cc(Cl)nc(NCc2cc(Cl)c3cccnc3c2[O-])c1C(N)=O ZINC001157724854 1033740538 /nfs/dbraw/zinc/74/05/38/1033740538.db2.gz WMVXZOQKTYPCBS-UHFFFAOYSA-N -1 3 377.231 3.662 20 10 GHCDHM CN(Cc1c([O-])cccc1Br)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC001207416189 1034353881 /nfs/dbraw/zinc/35/38/81/1034353881.db2.gz UGSMHYGZGNYENB-AWEZNQCLSA-N -1 3 391.265 3.612 20 10 GHCDHM CC(C)Oc1ccccc1OC1CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231455938 1034598870 /nfs/dbraw/zinc/59/88/70/1034598870.db2.gz YHFGRTCGYGCJDG-UHFFFAOYSA-N -1 3 385.460 3.921 20 10 GHCDHM COc1cc([O-])c(CN2CC3(C2)CCCCC3)cc1I ZINC001248471819 1035900161 /nfs/dbraw/zinc/90/01/61/1035900161.db2.gz AVFRKAKJBQIXPI-UHFFFAOYSA-N -1 3 387.261 3.772 20 10 GHCDHM COc1ccc(CN2CCCC(F)(F)CC2)c([O-])c1I ZINC001248481785 1035908694 /nfs/dbraw/zinc/90/86/94/1035908694.db2.gz GBXCGXMFIKHVNS-UHFFFAOYSA-N -1 3 397.203 3.627 20 10 GHCDHM CCn1nnc2c1CCN(Cc1cc(Cl)c(C(C)(C)C)cc1[O-])[C@H]2COC ZINC001248879495 1036219030 /nfs/dbraw/zinc/21/90/30/1036219030.db2.gz AKYRRUVPNVMCGQ-KRWDZBQOSA-N -1 3 392.931 3.700 20 10 GHCDHM COc1cc([O-])c(CN2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1Cl ZINC001232266360 1037988537 /nfs/dbraw/zinc/98/85/37/1037988537.db2.gz LTSUKINDXPFEEQ-BETUJISGSA-N -1 3 384.904 3.884 20 10 GHCDHM COc1cc([O-])c(CN2CC3(C2)CCCN3C(=O)OC(C)(C)C)cc1Cl ZINC001232267113 1037988619 /nfs/dbraw/zinc/98/86/19/1037988619.db2.gz WQOOVDMDJJQRKY-UHFFFAOYSA-N -1 3 382.888 3.640 20 10 GHCDHM CCOC(=O)c1sc(-c2ccc([O-])c(CN3C[C@@H](C)OC[C@H]3C)c2)nc1C ZINC001232454207 1038239224 /nfs/dbraw/zinc/23/92/24/1038239224.db2.gz YPVXAIHOJJYRRL-CHWSQXEVSA-N -1 3 390.505 3.610 20 10 GHCDHM COc1cc([O-])c(CN2CCOC[C@@H]2c2csc(C)n2)cc1Br ZINC001233136827 1038917644 /nfs/dbraw/zinc/91/76/44/1038917644.db2.gz CUFWCYAPFLXGST-CQSZACIVSA-N -1 3 399.310 3.502 20 10 GHCDHM COc1cc([O-])c(CN(C)Cc2cn3ccc(C)cc3n2)cc1Br ZINC001233141440 1038920282 /nfs/dbraw/zinc/92/02/82/1038920282.db2.gz HCUJSOFTRLMVQL-UHFFFAOYSA-N -1 3 390.281 3.751 20 10 GHCDHM CC(C)(C)OC(=O)NCC12CC(C1)CN2Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416519 1039272641 /nfs/dbraw/zinc/27/26/41/1039272641.db2.gz LIIAVBZNKZPKBA-UHFFFAOYSA-N -1 3 386.414 3.900 20 10 GHCDHM [O-]c1c(CN2Cc3cncn3C[C@H](COCC3CC3)C2)cccc1C(F)(F)F ZINC001233417169 1039274203 /nfs/dbraw/zinc/27/42/03/1039274203.db2.gz KTARZJXLKBUYPS-OAHLLOKOSA-N -1 3 395.425 3.666 20 10 GHCDHM COc1ccc2ccc([O-])c(CN3Cc4nnc(C(F)(F)F)n4[C@@H](C)C3)c2c1 ZINC001234569951 1040139062 /nfs/dbraw/zinc/13/90/62/1040139062.db2.gz VANLMJHQMDRXEV-NSHDSACASA-N -1 3 392.381 3.741 20 10 GHCDHM [O-]c1c(F)cc(Br)cc1CN1CCC(COc2cccnc2)CC1 ZINC001235057483 1040548168 /nfs/dbraw/zinc/54/81/68/1040548168.db2.gz OTYWGTGJZYNAOT-UHFFFAOYSA-N -1 3 395.272 3.980 20 10 GHCDHM CCOC(=O)C[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C[C@H]1C ZINC001235074921 1040563419 /nfs/dbraw/zinc/56/34/19/1040563419.db2.gz IJQXCELVXCDZFP-VXGBXAGGSA-N -1 3 388.277 3.705 20 10 GHCDHM [O-]c1c(Cl)cccc1CN1CCN[C@H](c2cccc(Br)c2)C1 ZINC001235797623 1041299452 /nfs/dbraw/zinc/29/94/52/1041299452.db2.gz GHRZSNFROALPIQ-INIZCTEOSA-N -1 3 381.701 3.955 20 10 GHCDHM COc1cc([O-])c(CN2CCC[C@@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c(Cl)c1 ZINC001236794896 1041899987 /nfs/dbraw/zinc/89/99/87/1041899987.db2.gz FNOPEGYRVGOPAB-CVEARBPZSA-N -1 3 382.888 3.638 20 10 GHCDHM COc1cc([O-])c(CN2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C)c(Cl)c1 ZINC001236805717 1041907200 /nfs/dbraw/zinc/90/72/00/1041907200.db2.gz IVNWFLWXKPFLDH-WBMJQRKESA-N -1 3 384.904 3.932 20 10 GHCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CC[C@]2(C1)CCCN(c1ncccn1)C2 ZINC001237076949 1042024688 /nfs/dbraw/zinc/02/46/88/1042024688.db2.gz BINWBACXYLBNND-IBGZPJMESA-N -1 3 393.318 3.982 20 10 GHCDHM O=C(c1ccsc1)N1C[C@H]2CN(Cc3c([O-])ccc(Cl)c3Cl)C[C@@H]2C1 ZINC001237081822 1042027558 /nfs/dbraw/zinc/02/75/58/1042027558.db2.gz UTNDIQNRTJFURO-CHWSQXEVSA-N -1 3 397.327 3.965 20 10 GHCDHM O=c1[n-]c(Cl)c(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)s1 ZINC001237155072 1042067670 /nfs/dbraw/zinc/06/76/70/1042067670.db2.gz PDPYGFOVRMXPGN-UHFFFAOYSA-N -1 3 393.818 3.723 20 10 GHCDHM [O-]c1c(F)cc(Cl)cc1CN1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001237619180 1042286747 /nfs/dbraw/zinc/28/67/47/1042286747.db2.gz NOXUHIWLXGJXHR-WMZOPIPTSA-N -1 3 394.849 3.661 20 10 GHCDHM C[C@@H]1Cc2ccccc2CN1Cc1cccc(I)c1[O-] ZINC001237783271 1042366374 /nfs/dbraw/zinc/36/63/74/1042366374.db2.gz JLIKOAAORHWNHY-GFCCVEGCSA-N -1 3 379.241 3.944 20 10 GHCDHM [O-]c1c(CN2CC(N3CCCCC3)C2)cc(Br)cc1C(F)(F)F ZINC001237793289 1042373608 /nfs/dbraw/zinc/37/36/08/1042373608.db2.gz XXTJRJVGEOQHMA-UHFFFAOYSA-N -1 3 393.247 3.844 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 ZINC001301562602 1046599488 /nfs/dbraw/zinc/59/94/88/1046599488.db2.gz XHZRISQQJPXVNT-UHFFFAOYSA-N -1 3 393.418 3.714 20 10 GHCDHM O=c1cccc(CN2C[C@H]3C[C@@H](C2)N(Cc2cc(Cl)c(Cl)cc2[O-])C3)[nH]1 ZINC001279665816 1047905933 /nfs/dbraw/zinc/90/59/33/1047905933.db2.gz YHVXMIIUQHVIND-DOMZBBRYSA-N -1 3 394.302 3.506 20 10 GHCDHM Cc1cc([O-])c(CN2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)cc1Cl ZINC001308826714 1050110676 /nfs/dbraw/zinc/11/06/76/1050110676.db2.gz XAIJZYZWFZHAMH-FQEVSTJZSA-N -1 3 384.907 3.903 20 10 GHCDHM CCCN(Cc1ccc(N2CCOCC2)cc1)Cc1nc(=O)c2sccc2[n-]1 ZINC001335435053 1052098610 /nfs/dbraw/zinc/09/86/10/1052098610.db2.gz XMKILIKHDUMYGO-UHFFFAOYSA-N -1 3 398.532 3.646 20 10 GHCDHM COc1ccc(Br)cc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC001320864345 1055991418 /nfs/dbraw/zinc/99/14/18/1055991418.db2.gz GKTIKZHGAZEYPP-UHFFFAOYSA-N -1 3 383.198 3.692 20 10 GHCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ncc(Cl)s1 ZINC001321477284 1056281409 /nfs/dbraw/zinc/28/14/09/1056281409.db2.gz BYAYGUPUHGDFBW-LBPRGKRZSA-N -1 3 386.304 3.550 20 10 GHCDHM CCc1cccc(CC)c1NC(=S)NN=c1ncc(Br)c[n-]1 ZINC000848653302 1057224433 /nfs/dbraw/zinc/22/44/33/1057224433.db2.gz LZJBXLPLXKDSKN-UHFFFAOYSA-N -1 3 380.315 3.677 20 10 GHCDHM O=[N+]([O-])c1cc(Cl)cc(CNCc2cccc(OCC(F)(F)F)n2)c1[O-] ZINC001324822246 1057232637 /nfs/dbraw/zinc/23/26/37/1057232637.db2.gz CINHJXKJLLELHW-UHFFFAOYSA-N -1 3 391.733 3.580 20 10 GHCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@](C)(C(F)(F)F)C1 ZINC001338589118 1058662584 /nfs/dbraw/zinc/66/25/84/1058662584.db2.gz QDLITAXMZDPPHT-HNNXBMFYSA-N -1 3 383.399 3.576 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000775161276 1061677955 /nfs/dbraw/zinc/67/79/55/1061677955.db2.gz YJLNFAYTQWKFIA-DOMZBBRYSA-N -1 3 399.329 3.808 20 10 GHCDHM C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NCc1c([O-])cccc1F ZINC001456030242 1062419225 /nfs/dbraw/zinc/41/92/25/1062419225.db2.gz RUUSPCXIOJPJHF-SNVBAGLBSA-N -1 3 384.220 3.928 20 10 GHCDHM CCOc1ccc(S(=O)(=O)NCc2c([O-])cccc2F)c2ccccc12 ZINC001464601069 1065105328 /nfs/dbraw/zinc/10/53/28/1065105328.db2.gz WKERAJODWDEZSP-UHFFFAOYSA-N -1 3 375.421 3.562 20 10 GHCDHM C[C@@H]1CN(c2ccc(NC(=O)NCc3c([O-])cccc3F)cc2F)C[C@H](C)O1 ZINC001465258229 1065505763 /nfs/dbraw/zinc/50/57/63/1065505763.db2.gz RRYQDIMXZZBYCX-BETUJISGSA-N -1 3 391.418 3.606 20 10 GHCDHM CNC(=O)CCOc1ccc(NCc2cc(C)cc(Br)c2[O-])cc1 ZINC001474046981 1074246885 /nfs/dbraw/zinc/24/68/85/1074246885.db2.gz YICAPKCFSTVPRY-UHFFFAOYSA-N -1 3 393.281 3.590 20 10 GHCDHM CCOc1ccccc1CN1CCN(Cc2cc(F)cc(F)c2[O-])[C@@H](C)C1 ZINC001474470153 1074420608 /nfs/dbraw/zinc/42/06/08/1074420608.db2.gz ARGZKKHLQPYOAT-HNNXBMFYSA-N -1 3 376.447 3.775 20 10 GHCDHM CC(C)(C)OC(=O)NCc1ccc2c(c1)N(Cc1cccc(F)c1[O-])CCO2 ZINC001474653290 1074501124 /nfs/dbraw/zinc/50/11/24/1074501124.db2.gz RXVYPLHBCYULOU-UHFFFAOYSA-N -1 3 388.439 3.955 20 10 GHCDHM C[C@H]1C[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)CC[C@@H]1NC(=O)[O-] ZINC000739185256 603398726 /nfs/dbraw/zinc/39/87/26/603398726.db2.gz OTSSNSPVSRURQE-ZBEGNZNMSA-N -1 3 393.281 3.786 20 10 GHCDHM C[C@H]1C[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)CC[C@@H]1NC(=O)[O-] ZINC000739185256 603398729 /nfs/dbraw/zinc/39/87/29/603398729.db2.gz OTSSNSPVSRURQE-ZBEGNZNMSA-N -1 3 393.281 3.786 20 10 GHCDHM O=C([O-])NCCCOC1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000834238859 605672301 /nfs/dbraw/zinc/67/23/01/605672301.db2.gz SWVQFWDVUHNJDU-UHFFFAOYSA-N -1 3 384.476 3.698 20 10 GHCDHM CCc1cccc(N2C(=O)C(=Cc3cc(-c4nnn[n-]4)cs3)SC2=S)c1 ZINC000821492489 606336173 /nfs/dbraw/zinc/33/61/73/606336173.db2.gz OBEURLPKOPMDOD-ZSOIEALJSA-N -1 3 399.526 3.896 20 10 GHCDHM CCc1cccc(N2C(=O)C(=Cc3cc(-c4nn[n-]n4)cs3)SC2=S)c1 ZINC000821492489 606336174 /nfs/dbraw/zinc/33/61/74/606336174.db2.gz OBEURLPKOPMDOD-ZSOIEALJSA-N -1 3 399.526 3.896 20 10 GHCDHM Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)s3)SC2=S)c1C ZINC000822308731 606393822 /nfs/dbraw/zinc/39/38/22/606393822.db2.gz JCZUABMWLZIAKO-ZSOIEALJSA-N -1 3 399.526 3.951 20 10 GHCDHM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)s3)SC2=S)c(C)c1 ZINC000822241322 606393860 /nfs/dbraw/zinc/39/38/60/606393860.db2.gz RRPSIBSCLSQUHL-ZSOIEALJSA-N -1 3 399.526 3.951 20 10 GHCDHM C[C@H](Sc1ncc(C(C)(C)C)s1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820557418 607119830 /nfs/dbraw/zinc/11/98/30/607119830.db2.gz ZCJTZXHABWODLC-JTQLQIEISA-N -1 3 388.522 3.740 20 10 GHCDHM C[C@H](Sc1ncc(C(C)(C)C)s1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820557418 607119833 /nfs/dbraw/zinc/11/98/33/607119833.db2.gz ZCJTZXHABWODLC-JTQLQIEISA-N -1 3 388.522 3.740 20 10 GHCDHM COc1c([O-])c(CNc2ccc(C)c(C(=O)N(C)C(C)C)c2)ccc1[N+](=O)[O-] ZINC000278760949 834536747 /nfs/dbraw/zinc/53/67/47/834536747.db2.gz TVAFUGZNKDCWQX-UHFFFAOYSA-N -1 3 387.436 3.710 20 10 GHCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2CCC2CCCCC2)c1 ZINC000179857257 836113600 /nfs/dbraw/zinc/11/36/00/836113600.db2.gz JGENZULIBMVVGQ-QGZVFWFLSA-N -1 3 394.537 3.729 20 10 GHCDHM CC(=O)c1cc(Nc2cc(Br)c(Br)cc2[O-])ccn1 ZINC001210595008 838588388 /nfs/dbraw/zinc/58/83/88/838588388.db2.gz HGIJQBMYQPPLEX-UHFFFAOYSA-N -1 3 386.043 3.680 20 10 GHCDHM Cc1ncsc1CN1CC2(C1)CCCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001279108788 842127466 /nfs/dbraw/zinc/12/74/66/842127466.db2.gz WXUDNWMMRSMVJM-UHFFFAOYSA-N -1 3 379.476 3.533 20 10 GHCDHM O=S(=O)([N-]CCCSc1nccs1)c1cc(Cl)ccc1Cl ZINC000733899416 863330000 /nfs/dbraw/zinc/33/00/00/863330000.db2.gz IILBYKOJGSZNFN-UHFFFAOYSA-N -1 3 383.347 3.911 20 10 GHCDHM CSc1ncc2ncnc(NCc3cc(Cl)c4cccnc4c3[O-])c2n1 ZINC001168527430 865738717 /nfs/dbraw/zinc/73/87/17/865738717.db2.gz HUTRZPGVMXOMPP-UHFFFAOYSA-N -1 3 384.852 3.661 20 10 GHCDHM COc1ccc(N2CCC(NC(=O)c3cc([O-])cc(C(F)(F)F)c3)CC2)cc1 ZINC000857098410 882012796 /nfs/dbraw/zinc/01/27/96/882012796.db2.gz HFFPNOYVBDUJGK-UHFFFAOYSA-N -1 3 394.393 3.818 20 10 GHCDHM CCN(Cc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1)C(=O)C(F)(F)F ZINC000182320650 872197808 /nfs/dbraw/zinc/19/78/08/872197808.db2.gz DFIKPVFDSFQZEQ-UHFFFAOYSA-N -1 3 396.365 3.569 20 10 GHCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001196490704 873168554 /nfs/dbraw/zinc/16/85/54/873168554.db2.gz MJLDZCXQRIQPLG-UHFFFAOYSA-N -1 3 378.450 3.848 20 10 GHCDHM CCN1CCN(c2cccc([N-]S(=O)(=O)c3cc(C)ccc3Cl)c2)CC1 ZINC000769848952 874324484 /nfs/dbraw/zinc/32/44/84/874324484.db2.gz TZKREYMMOGYLDX-UHFFFAOYSA-N -1 3 393.940 3.591 20 10 GHCDHM CC[C@H](NCc1c([O-])cccc1Br)c1nnc2n1CCCCC2 ZINC000858122249 882862808 /nfs/dbraw/zinc/86/28/08/882862808.db2.gz FQJIYPOTFQIOGG-AWEZNQCLSA-N -1 3 379.302 3.714 20 10 GHCDHM CC(C)COc1cnccc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001199106147 874788795 /nfs/dbraw/zinc/78/87/95/874788795.db2.gz FDABYPOZIGQSRD-UHFFFAOYSA-N -1 3 385.851 3.954 20 10 GHCDHM CC(C)N1CCN(c2cccc(NC(=O)c3cc(F)c([O-])c(Cl)c3)c2)CC1 ZINC000772522628 875995344 /nfs/dbraw/zinc/99/53/44/875995344.db2.gz VYFGBSLRILBQRH-UHFFFAOYSA-N -1 3 391.874 3.967 20 10 GHCDHM Cc1nc(-c2ccc(NC(=O)NCc3ccc(N(C)C)c(F)c3)cc2)cc(=O)[n-]1 ZINC000746708058 877625550 /nfs/dbraw/zinc/62/55/50/877625550.db2.gz JCCQTLCLXKDQBW-UHFFFAOYSA-N -1 3 395.438 3.684 20 10 GHCDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)Cc3ccc(N)cc3)cc2)cc1 ZINC000237857992 878152720 /nfs/dbraw/zinc/15/27/20/878152720.db2.gz XJBXLKNXNBVTOC-UHFFFAOYSA-N -1 3 395.484 3.559 20 10 GHCDHM O=C([O-])CCC1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000854240692 879653928 /nfs/dbraw/zinc/65/39/28/879653928.db2.gz CUUDWCNWDDUPON-UHFFFAOYSA-N -1 3 375.469 3.662 20 10 GHCDHM O=C(Nc1cccc(COc2ccc3c(c2)OCO3)c1)c1cccc(O)c1[O-] ZINC000790547298 879804133 /nfs/dbraw/zinc/80/41/33/879804133.db2.gz QFTULFGYNGJOFV-UHFFFAOYSA-N -1 3 379.368 3.658 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000790573184 879831826 /nfs/dbraw/zinc/83/18/26/879831826.db2.gz WCHOKDYPKVBOEA-CQSZACIVSA-N -1 3 376.250 3.708 20 10 GHCDHM CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)c3cccc(O)c3[O-])cc2)c1 ZINC000790761618 879959447 /nfs/dbraw/zinc/95/94/47/879959447.db2.gz MLWLMXSJTXKXJT-UHFFFAOYSA-N -1 3 399.424 3.546 20 10 GHCDHM CN1CCO[C@@H]([C@@H](NCc2c([O-])ccc(Cl)c2F)c2ccc(Cl)cc2)C1 ZINC000790982153 880140611 /nfs/dbraw/zinc/14/06/11/880140611.db2.gz RBMNYKOKFMINCF-MJGOQNOKSA-N -1 3 399.293 4.000 20 10 GHCDHM O=S(=O)([N-]Cc1ccc(N2CCCCC2)cc1)c1cccnc1C(F)(F)F ZINC000804971444 883519540 /nfs/dbraw/zinc/51/95/40/883519540.db2.gz BPMXLUSPQIIHQA-UHFFFAOYSA-N -1 3 399.438 3.569 20 10 GHCDHM O=C1OC2(CCN(Cc3cc(F)c(F)cc3[O-])CC2)c2ccc(Cl)cc21 ZINC001142527129 884539196 /nfs/dbraw/zinc/53/91/96/884539196.db2.gz LRIBWTDBSOJYRU-UHFFFAOYSA-N -1 3 379.790 3.986 20 10 GHCDHM CC(C)Oc1cc(O)ccc1[N-]S(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000761995309 885129098 /nfs/dbraw/zinc/12/90/98/885129098.db2.gz LFEQFDNOKKIQKO-UHFFFAOYSA-N -1 3 375.446 3.745 20 10 GHCDHM C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1c([O-])cccc1Br ZINC000862215028 886213074 /nfs/dbraw/zinc/21/30/74/886213074.db2.gz BLBXOXQNLCGRPH-GFCCVEGCSA-N -1 3 398.322 3.751 20 10 GHCDHM COC(=O)CN(Cc1ccc(OC)c(OC)c1C)Cc1cc(Cl)ccc1[O-] ZINC000809572665 887551900 /nfs/dbraw/zinc/55/19/00/887551900.db2.gz QMYXROUGLUJVHE-UHFFFAOYSA-N -1 3 393.867 3.546 20 10 GHCDHM COc1c([O-])c(CNc2ccc(F)cc2OC2CCOCC2)ccc1[N+](=O)[O-] ZINC000809695221 887672201 /nfs/dbraw/zinc/67/22/01/887672201.db2.gz DBHMTVOILXRMLN-UHFFFAOYSA-N -1 3 392.383 3.618 20 10 GHCDHM O=[N+]([O-])c1cc2c(cc1CNCc1cc(Cl)cc(Cl)c1[O-])OCCO2 ZINC000809776147 887766216 /nfs/dbraw/zinc/76/62/16/887766216.db2.gz WHYNOBOQGGLWDJ-UHFFFAOYSA-N -1 3 385.203 3.668 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNCc2ncc(Br)s2)c1 ZINC000865849964 888609457 /nfs/dbraw/zinc/60/94/57/888609457.db2.gz STJFHXVDWUMVKN-UHFFFAOYSA-N -1 3 392.116 3.972 20 10 GHCDHM CCN(Cc1cc(Br)ccc1[O-])[C@H](C)c1nc(C(=O)OC)co1 ZINC000878154603 894055469 /nfs/dbraw/zinc/05/54/69/894055469.db2.gz ZOCYRWSLGFOYAW-SNVBAGLBSA-N -1 3 383.242 3.512 20 10 GHCDHM [O-]c1c(CN2CCn3c(CCc4ccccc4)nnc3C2)ccc2ccccc21 ZINC000816515011 894892455 /nfs/dbraw/zinc/89/24/55/894892455.db2.gz MSWLAONXZHLMPB-UHFFFAOYSA-N -1 3 384.483 3.938 20 10 GHCDHM CN(C)S(=O)(=O)c1cc(NCc2c([O-])cccc2Cl)ccc1Cl ZINC001202699157 899379331 /nfs/dbraw/zinc/37/93/31/899379331.db2.gz JZLXCTHZQIPMQM-UHFFFAOYSA-N -1 3 375.277 3.561 20 10 GHCDHM CC(C)CO[C@H](C)c1noc(CN(C)Cc2ccc(Br)cc2[O-])n1 ZINC000824913130 899875740 /nfs/dbraw/zinc/87/57/40/899875740.db2.gz IXGAQLRFGMKBAX-GFCCVEGCSA-N -1 3 398.301 3.903 20 10 GHCDHM COc1ccc([C@H](CN(C)C(=O)c2cccc(O)c2[O-])C2(O)CCCCC2)cc1 ZINC001148218844 904009967 /nfs/dbraw/zinc/00/99/67/904009967.db2.gz NEQXRGWESKHMPW-IBGZPJMESA-N -1 3 399.487 3.657 20 10 GHCDHM O=C(NC1(c2ccc(F)cc2)CCC(F)(F)CC1)c1cc(O)c([O-])c(O)c1 ZINC001148590736 904130462 /nfs/dbraw/zinc/13/04/62/904130462.db2.gz NYBFVNDKYIOORE-UHFFFAOYSA-N -1 3 381.350 3.777 20 10 GHCDHM COc1ccccc1C1(NC(=O)c2cc(O)c([O-])c(O)c2)CCC(F)(F)CC1 ZINC001148590163 904130834 /nfs/dbraw/zinc/13/08/34/904130834.db2.gz CPSMOTLFGJOJAV-UHFFFAOYSA-N -1 3 393.386 3.647 20 10 GHCDHM COc1c([O-])c(CNc2ccc(-c3n[nH]c(C4CC4)n3)cc2)ccc1[N+](=O)[O-] ZINC000775052753 914798840 /nfs/dbraw/zinc/79/88/40/914798840.db2.gz XOCQULNNEXDDBD-UHFFFAOYSA-N -1 3 381.392 3.584 20 10 GHCDHM CCn1ncc2c1nc(-c1cccs1)cc2C(=O)NCc1c([O-])cccc1F ZINC001178413369 909049744 /nfs/dbraw/zinc/04/97/44/909049744.db2.gz RIMWFDJFFOJVHB-UHFFFAOYSA-N -1 3 396.447 3.954 20 10 GHCDHM O=C(NC[C@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1)Nc1cccc(F)c1 ZINC001180194738 910030221 /nfs/dbraw/zinc/03/02/21/910030221.db2.gz MCCQZJVHYLNYMW-CYBMUJFWSA-N -1 3 393.409 3.843 20 10 GHCDHM O=C(NCC1CCN(Cc2cc(F)c(F)cc2[O-])CC1)OCc1ccccc1 ZINC001181297372 910687288 /nfs/dbraw/zinc/68/72/88/910687288.db2.gz QQURRNXUSGJPAL-UHFFFAOYSA-N -1 3 390.430 3.809 20 10 GHCDHM CC(=O)c1cc(CN2C[C@@H](C)[C@@H]2c2ccccc2)c([O-])c(CN2CCOCC2)c1 ZINC000247507746 911327782 /nfs/dbraw/zinc/32/77/82/911327782.db2.gz YHQRUEVTRPDUHV-UZUQRXQVSA-N -1 3 394.515 3.620 20 10 GHCDHM Cn1c(CC(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc2ccccc21 ZINC001182269928 911377462 /nfs/dbraw/zinc/37/74/62/911377462.db2.gz WGJJGPDANDDMDN-UHFFFAOYSA-N -1 3 379.847 3.944 20 10 GHCDHM Cc1ccc(C)n1-c1ccc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)cc1 ZINC001212937131 911786236 /nfs/dbraw/zinc/78/62/36/911786236.db2.gz POKYXOKVPUIZSQ-UHFFFAOYSA-N -1 3 377.360 3.820 20 10 GHCDHM COc1c([O-])c(CNc2ccc(N(C(C)=O)[C@H]3C[C@@H]3C)cc2)ccc1[N+](=O)[O-] ZINC000294225482 916661244 /nfs/dbraw/zinc/66/12/44/916661244.db2.gz YZTFFFCAGICNKN-SGTLLEGYSA-N -1 3 385.420 3.682 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cnc(-c2ccccc2)[nH]1 ZINC001192214819 918543436 /nfs/dbraw/zinc/54/34/36/918543436.db2.gz LXQPQCVLJOPCLN-UHFFFAOYSA-N -1 3 378.819 3.914 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN(CC(=O)N2CCCCCC2)C(C)C)c1[O-] ZINC000796600665 918791681 /nfs/dbraw/zinc/79/16/81/918791681.db2.gz DZJGXYRFSVMLBP-UHFFFAOYSA-N -1 3 380.916 3.861 20 10 GHCDHM COc1c([O-])c(CNc2ccc(-c3nnc4n3CCCC4)cc2)ccc1[N+](=O)[O-] ZINC000373201757 925929741 /nfs/dbraw/zinc/92/97/41/925929741.db2.gz AUUGRRSLRNDSFX-UHFFFAOYSA-N -1 3 395.419 3.516 20 10 GHCDHM CC(=O)c1cc(F)cc(CN(C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000749480259 927125846 /nfs/dbraw/zinc/12/58/46/927125846.db2.gz KJXFISQUUDLFKJ-QGZVFWFLSA-N -1 3 392.471 3.708 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000750039666 927400129 /nfs/dbraw/zinc/40/01/29/927400129.db2.gz CUAKOJMQMVMTCB-AWEZNQCLSA-N -1 3 396.915 3.985 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCN(Cc3nc4ccccc4s3)CC2)c1[O-] ZINC000750820465 927872534 /nfs/dbraw/zinc/87/25/34/927872534.db2.gz SUYCHAULXVMCSR-UHFFFAOYSA-N -1 3 399.491 3.661 20 10 GHCDHM O=S(=O)([N-]Cc1ccccc1O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000751150695 928050227 /nfs/dbraw/zinc/05/02/27/928050227.db2.gz KLGPSOLBXYUKHU-UHFFFAOYSA-N -1 3 380.878 3.648 20 10 GHCDHM COc1ccc(N[C@H]2C[C@H](C)c3c2c(O)ccc3C)cc1[N-]S(C)(=O)=O ZINC001116568188 933637989 /nfs/dbraw/zinc/63/79/89/933637989.db2.gz OORKBSBZWVCCBL-WFASDCNBSA-N -1 3 376.478 3.741 20 10 GHCDHM CC(C)n1ncc2c1[C@@H](NCc1c3cc(F)ccc3n(C)c1C(=O)[O-])CCC2 ZINC001592158600 977039302 /nfs/dbraw/zinc/03/93/02/977039302.db2.gz SZUXDOWQBJNHLT-KRWDZBQOSA-N -1 3 384.455 3.960 20 10 GHCDHM C[C@@H]([NH2+]CCCC(=O)Nc1ccc(Cl)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593263618 994559991 /nfs/dbraw/zinc/55/99/91/994559991.db2.gz AOAPIXFMBBYNNV-GFCCVEGCSA-N -1 3 376.840 3.813 20 10 GHCDHM COc1ccc([C@@H](C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])N2CCCC2)cc1 ZINC001599515024 997368272 /nfs/dbraw/zinc/36/82/72/997368272.db2.gz CHDRJHGOUVOPEO-MGPUTAFESA-N -1 3 384.476 3.587 20 10 GHCDHM COc1ccc(CC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])c(Cl)c1OC ZINC001599557201 998115838 /nfs/dbraw/zinc/11/58/38/998115838.db2.gz WUUWJXGOHPFWDU-NSHDSACASA-N -1 3 379.840 3.654 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccnc2ccc(O)cc21 ZINC001155139905 1032432097 /nfs/dbraw/zinc/43/20/97/1032432097.db2.gz QEQWSWLVIDTNHO-UHFFFAOYSA-N -1 3 379.803 3.778 20 10 GHCDHM CC(C)(C)OC(=O)N1CCC2(CC1)COCCN2Cc1c([O-])cccc1Cl ZINC001140337753 1021442315 /nfs/dbraw/zinc/44/23/15/1021442315.db2.gz CLQLKBBLZNKRAD-UHFFFAOYSA-N -1 3 396.915 3.648 20 10 GHCDHM [O-]c1cccc(Cl)c1CN1CCN(Cc2ccncc2)c2ncccc2C1 ZINC001140339710 1021446782 /nfs/dbraw/zinc/44/67/82/1021446782.db2.gz LVSNJDVNVWSGOX-UHFFFAOYSA-N -1 3 380.879 3.858 20 10 GHCDHM O=C(NC[C@@H]1CCCCN1Cc1cc(Cl)c(F)cc1[O-])c1ccccc1 ZINC001204608464 1032992696 /nfs/dbraw/zinc/99/26/96/1032992696.db2.gz IBDOTTAKJNYDTF-INIZCTEOSA-N -1 3 376.859 3.969 20 10 GHCDHM COCCOc1ncccc1CN[C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756430923 1023644977 /nfs/dbraw/zinc/64/49/77/1023644977.db2.gz KFUFQFPDZCZIHW-LLVKDONJSA-N -1 3 399.260 3.565 20 10 GHCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCN(C2(c3ccccc3)CC2)CC1 ZINC001139133598 1025946142 /nfs/dbraw/zinc/94/61/42/1025946142.db2.gz IVGMGPISWDJFBS-UHFFFAOYSA-N -1 3 390.483 3.614 20 10 GHCDHM O=C(c1ccco1)N1CCCC12CCN(Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139681145 1026535930 /nfs/dbraw/zinc/53/59/30/1026535930.db2.gz JMWXCKWZDUBEAU-UHFFFAOYSA-N -1 3 376.403 3.534 20 10 GHCDHM [O-]c1c(F)ccc(F)c1CN1CCC(O)(c2ccc(Br)cc2)CC1 ZINC001139680834 1026536221 /nfs/dbraw/zinc/53/62/21/1026536221.db2.gz DEWFMWZRKMLSFO-UHFFFAOYSA-N -1 3 398.247 3.917 20 10 GHCDHM [O-]c1ccc(Br)cc1CN1CCN(c2ccc(F)c(F)c2)CC1 ZINC001203636094 1027494107 /nfs/dbraw/zinc/49/41/07/1027494107.db2.gz OISYAZYPZBNPJU-UHFFFAOYSA-N -1 3 383.236 3.755 20 10 GHCDHM CCn1ncc2c1CN(Cc1cc(Cl)ccc1[O-])C[C@@H]2COc1cccnc1 ZINC001203656106 1027512447 /nfs/dbraw/zinc/51/24/47/1027512447.db2.gz HXGMOZPREJQJFP-MRXNPFEDSA-N -1 3 398.894 3.835 20 10 GHCDHM CC(C)(C)OC(=O)N[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCC1(F)F ZINC001203664689 1027515768 /nfs/dbraw/zinc/51/57/68/1027515768.db2.gz QADYFFJFFHOFNF-AWEZNQCLSA-N -1 3 376.831 3.780 20 10 GHCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccc(Br)cc2Cl)no1 ZINC001215325091 1029153820 /nfs/dbraw/zinc/15/38/20/1029153820.db2.gz ACFPDAWKDZWXAC-UHFFFAOYSA-N -1 3 383.585 3.936 20 10 GHCDHM CCOc1cc(Br)ccc1-c1noc(-c2cc(O)c([O-])c(O)c2)n1 ZINC001215327498 1029154490 /nfs/dbraw/zinc/15/44/90/1029154490.db2.gz DOQBQIGMVRIVNP-UHFFFAOYSA-N -1 3 393.193 3.682 20 10 GHCDHM Cc1cc(Br)c(F)cc1-c1noc(-c2cc(O)c([O-])c(O)c2)n1 ZINC001215327451 1029155115 /nfs/dbraw/zinc/15/51/15/1029155115.db2.gz BJPOAYWNGDMGAH-UHFFFAOYSA-N -1 3 381.157 3.730 20 10 GHCDHM C[C@@H]1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)C[C@H]1C(=O)[O-] ZINC000843041132 1029782923 /nfs/dbraw/zinc/78/29/23/1029782923.db2.gz OURTYRZDDWODDR-GDBMZVCRSA-N -1 3 395.341 3.982 20 10 GHCDHM CCn1nc2c(c1C(=O)NCc1cc(Cl)c3cccnc3c1[O-])CCCC2 ZINC001150854349 1030686370 /nfs/dbraw/zinc/68/63/70/1030686370.db2.gz WFKJBHVGHDNNGM-UHFFFAOYSA-N -1 3 384.867 3.619 20 10 GHCDHM O=C(c1cccnc1NCc1cc(Cl)c2cccnc2c1[O-])N1CCCC1 ZINC001157724634 1033740035 /nfs/dbraw/zinc/74/00/35/1033740035.db2.gz PXRKDZGWHKZTCV-UHFFFAOYSA-N -1 3 382.851 3.837 20 10 GHCDHM O=C([O-])c1ccc(O)c(CN2CCN(c3cc(Cl)cc(Cl)c3)CC2)c1 ZINC001231565190 1034714456 /nfs/dbraw/zinc/71/44/56/1034714456.db2.gz AKTVVSDYMCZLIV-UHFFFAOYSA-N -1 3 381.259 3.719 20 10 GHCDHM CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc(C(=O)[O-])ccc1O ZINC001231566005 1034715495 /nfs/dbraw/zinc/71/54/95/1034715495.db2.gz GZHYUDJJMBMBMJ-JQFCIGGWSA-N -1 3 375.465 3.565 20 10 GHCDHM Cc1cc([O-])c(CN2CCc3onc(COc4cccnc4)c3C2)cc1Cl ZINC001231868350 1034954704 /nfs/dbraw/zinc/95/47/04/1034954704.db2.gz ANMOBQWOCBWFBE-UHFFFAOYSA-N -1 3 385.851 3.874 20 10 GHCDHM CCOC[C@@H]1CN(Cc2ccc3ccccc3c2[O-])Cc2nnn(CC3CC3)c21 ZINC001231878855 1034963010 /nfs/dbraw/zinc/96/30/10/1034963010.db2.gz QWXNWNAZPVBUPQ-IBGZPJMESA-N -1 3 392.503 3.683 20 10 GHCDHM CCN(Cc1cc(Br)ccc1[O-])[C@@H](C)c1ncc(C(=O)OC)s1 ZINC001461945899 1069907812 /nfs/dbraw/zinc/90/78/12/1069907812.db2.gz ZHYOWPSHXKWMBV-JTQLQIEISA-N -1 3 399.310 3.981 20 10 GHCDHM COc1cc([O-])c(CN2CCN(Cc3c(F)cccc3F)CC2)cc1Cl ZINC001232269093 1037991357 /nfs/dbraw/zinc/99/13/57/1037991357.db2.gz QOZHCLJRHHGQPJ-UHFFFAOYSA-N -1 3 382.838 3.650 20 10 GHCDHM COc1cc([O-])c(CN2CCN(C(=O)c3ccccc3Cl)CC2)cc1Cl ZINC001232269509 1037992008 /nfs/dbraw/zinc/99/20/08/1037992008.db2.gz CKCGKWCZIVGZLU-UHFFFAOYSA-N -1 3 395.286 3.666 20 10 GHCDHM COc1cc([O-])c(CN2CCc3nc(Br)sc3C2)cc1Cl ZINC001232269613 1037993617 /nfs/dbraw/zinc/99/36/17/1037993617.db2.gz GZUVMYXQMFYSOB-UHFFFAOYSA-N -1 3 389.702 3.832 20 10 GHCDHM COc1cccc2c1CN(Cc1ccc(I)cc1[O-])C2 ZINC001232980596 1038749199 /nfs/dbraw/zinc/74/91/99/1038749199.db2.gz UCOWGKQTHASASA-UHFFFAOYSA-N -1 3 381.213 3.521 20 10 GHCDHM [O-]c1cc(Br)cc(F)c1CN1CCN(CCc2cccs2)CC1 ZINC001233030884 1038783367 /nfs/dbraw/zinc/78/33/67/1038783367.db2.gz QSVBZEKXRPCUER-UHFFFAOYSA-N -1 3 399.329 3.716 20 10 GHCDHM [O-]c1cc(Br)cc(F)c1CN1CC2(CN(Cc3ccccc3)C2)C1 ZINC001233032031 1038786297 /nfs/dbraw/zinc/78/62/97/1038786297.db2.gz SNBNLGBPDSAHNU-UHFFFAOYSA-N -1 3 391.284 3.612 20 10 GHCDHM COc1cc([O-])c(CN2CCO[C@H](c3ccccc3)C2)cc1Br ZINC001233140152 1038919461 /nfs/dbraw/zinc/91/94/61/1038919461.db2.gz XPFXDKLJHHMTLW-SFHVURJKSA-N -1 3 378.266 3.737 20 10 GHCDHM [O-]c1ccc(F)c(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c1F ZINC001233397170 1039233840 /nfs/dbraw/zinc/23/38/40/1039233840.db2.gz NUWVYQBUICASRL-UHFFFAOYSA-N -1 3 388.336 3.891 20 10 GHCDHM CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3cccc(C(F)(F)F)c3[O-])CC[C@H]21 ZINC001233416692 1039271396 /nfs/dbraw/zinc/27/13/96/1039271396.db2.gz RRYSDOCATWTAGU-UKRRQHHQSA-N -1 3 386.414 3.852 20 10 GHCDHM CN(CCOCCN(C)C(=O)OC(C)(C)C)Cc1c([O-])ccc(Cl)c1F ZINC001462439326 1070253935 /nfs/dbraw/zinc/25/39/35/1070253935.db2.gz OQIBKQDJJJUKTE-UHFFFAOYSA-N -1 3 390.883 3.500 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCc3cc4c(cc3C2)OCO4)c1 ZINC001236664427 1041812501 /nfs/dbraw/zinc/81/25/01/1041812501.db2.gz UQOOLUMSEPTSBB-UHFFFAOYSA-N -1 3 376.250 3.750 20 10 GHCDHM CN(CC1CN(Cc2cc(Cl)c(Cl)cc2[O-])C1)C(=O)OC(C)(C)C ZINC001236794951 1041899154 /nfs/dbraw/zinc/89/91/54/1041899154.db2.gz XPBQKUCNKALWGW-UHFFFAOYSA-N -1 3 375.296 3.998 20 10 GHCDHM COc1cc([O-])c(CN2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C)c(Cl)c1 ZINC001236805710 1041907147 /nfs/dbraw/zinc/90/71/47/1041907147.db2.gz IVNWFLWXKPFLDH-MLGOLLRUSA-N -1 3 384.904 3.932 20 10 GHCDHM CC[C@@H](C)N1CC[C@]2(CCN(Cc3c([O-])cc(Br)cc3F)C2)C1=O ZINC001278043679 1041998284 /nfs/dbraw/zinc/99/82/84/1041998284.db2.gz MWXUWWGQRBFNBJ-XIKOKIGWSA-N -1 3 399.304 3.517 20 10 GHCDHM COc1cc([O-])c(CN2CCN(c3ccccc3C)CC2)c(Br)c1 ZINC001237061379 1042016521 /nfs/dbraw/zinc/01/65/21/1042016521.db2.gz FIIMTEPCPOZZHG-UHFFFAOYSA-N -1 3 391.309 3.794 20 10 GHCDHM O=C(C[C@H]1[C@H]2CN(Cc3c([O-])ccc(Cl)c3Cl)C[C@@H]12)NCc1ccco1 ZINC001237079632 1042025471 /nfs/dbraw/zinc/02/54/71/1042025471.db2.gz FCZHCVFZMQDLLS-BTTYYORXSA-N -1 3 395.286 3.676 20 10 GHCDHM [O-]c1cc(Cl)c(F)cc1CN1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001237937042 1042428325 /nfs/dbraw/zinc/42/83/25/1042428325.db2.gz MABVATMVDSEJEE-MGPUTAFESA-N -1 3 392.858 3.782 20 10 GHCDHM Cc1ccc(S(=O)(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc1F ZINC001259482867 1045193652 /nfs/dbraw/zinc/19/36/52/1045193652.db2.gz CVBMEDNMEPXACI-UHFFFAOYSA-N -1 3 380.828 3.520 20 10 GHCDHM Cc1cc(C)cc(S(=O)(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001259526511 1045223209 /nfs/dbraw/zinc/22/32/09/1045223209.db2.gz AHCGYORUEOHJEB-UHFFFAOYSA-N -1 3 376.865 3.689 20 10 GHCDHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)ccc1O ZINC001260917394 1045770126 /nfs/dbraw/zinc/77/01/26/1045770126.db2.gz CNMVWCNOLGHCGB-UHFFFAOYSA-N -1 3 399.424 3.772 20 10 GHCDHM COc1ccc2c(c1)nc(NC(=O)c1cccc(O)c1[O-])n2Cc1ccccc1 ZINC001302272179 1046893968 /nfs/dbraw/zinc/89/39/68/1046893968.db2.gz PCJOOUVLBQKCBC-UHFFFAOYSA-N -1 3 389.411 3.757 20 10 GHCDHM C[C@@H]1CCCN(c2nnc(-c3sc4ncccc4c3[O-])n2C[C@H]2CCOC2)C1 ZINC001263532285 1046926846 /nfs/dbraw/zinc/92/68/46/1046926846.db2.gz LLRGYLCEAIHRGE-ZIAGYGMSSA-N -1 3 399.520 3.533 20 10 GHCDHM CCOC1CCN(c2nnc(-c3sc4ncccc4c3[O-])n2CC2CC2)CC1 ZINC001263687020 1047049416 /nfs/dbraw/zinc/04/94/16/1047049416.db2.gz QVZADVNNNDYBHJ-UHFFFAOYSA-N -1 3 399.520 3.676 20 10 GHCDHM Cc1cc(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)c(C)n1-c1cccc(C)c1 ZINC001303519892 1047410986 /nfs/dbraw/zinc/41/09/86/1047410986.db2.gz ZNZBIXZQMRHBHN-UHFFFAOYSA-N -1 3 376.460 3.706 20 10 GHCDHM CCn1ccnc1CN1C[C@H]2C[C@@H](C1)N(Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001279677092 1047910795 /nfs/dbraw/zinc/91/07/95/1047910795.db2.gz XTPZZFRSTNXYNA-KGLIPLIRSA-N -1 3 395.334 3.622 20 10 GHCDHM COc1ccc2c(c1)[C@H](NCc1cc(Br)cc(F)c1[O-])CCO2 ZINC001308366755 1049959703 /nfs/dbraw/zinc/95/97/03/1049959703.db2.gz RNFVLOCQTZKLNM-OAHLLOKOSA-N -1 3 382.229 3.916 20 10 GHCDHM Cc1cc([O-])c(CN2CCN(Cc3cccc(Cl)c3)C(=O)C2)c(Cl)c1 ZINC001308604982 1050028973 /nfs/dbraw/zinc/02/89/73/1050028973.db2.gz YWGOOLXLBYMGJN-UHFFFAOYSA-N -1 3 379.287 3.852 20 10 GHCDHM O=C1C[C@]2(CCN(Cc3ccc(Br)cc3[O-])C2)Oc2ccccc21 ZINC001308816819 1050105421 /nfs/dbraw/zinc/10/54/21/1050105421.db2.gz YFBJZIUVVATKKB-IBGZPJMESA-N -1 3 388.261 3.765 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2cccc(N3C(=O)CCC3=O)c2)c1 ZINC001308979281 1050241579 /nfs/dbraw/zinc/24/15/79/1050241579.db2.gz AYPBOCHNVSVFJT-UHFFFAOYSA-N -1 3 389.249 3.729 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)Nc1c(F)cc(Br)cc1F ZINC001310361366 1051306961 /nfs/dbraw/zinc/30/69/61/1051306961.db2.gz SUHOWBYQSSUGIB-UHFFFAOYSA-N -1 3 375.144 3.894 20 10 GHCDHM Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)NCc1c([O-])cccc1F ZINC001310663091 1051516099 /nfs/dbraw/zinc/51/60/99/1051516099.db2.gz PGFHHNCVKFNSRU-UHFFFAOYSA-N -1 3 376.338 3.532 20 10 GHCDHM CC(C)(C)[S@](=O)Cc1cccc(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001333345560 1051723254 /nfs/dbraw/zinc/72/32/54/1051723254.db2.gz FXXFOKBFBKDOGN-AREMUKBSSA-N -1 3 378.469 3.900 20 10 GHCDHM Cc1cc([O-])c(CN2CCn3c(Cc4cccc(F)c4)nnc3C2)cc1Cl ZINC001333945314 1051874479 /nfs/dbraw/zinc/87/44/79/1051874479.db2.gz PHZDIKNVJQIQQF-UHFFFAOYSA-N -1 3 386.858 3.691 20 10 GHCDHM CC(C)Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@@]2(CCOC2)C1 ZINC001342769835 1053345942 /nfs/dbraw/zinc/34/59/42/1053345942.db2.gz FSTMNRBMLMXNHL-HXUWFJFHSA-N -1 3 399.520 3.533 20 10 GHCDHM Cc1ccc(C(=O)Nc2cccc(I)c2C)c([O-])c1O ZINC001320076390 1055640399 /nfs/dbraw/zinc/64/03/99/1055640399.db2.gz PHAOJUKTOULRRI-UHFFFAOYSA-N -1 3 383.185 3.572 20 10 GHCDHM O=C1c2ccccc2C(=O)c2c(NC(=S)NC3CCCCC3)ccc([O-])c21 ZINC001200651080 1056595149 /nfs/dbraw/zinc/59/51/49/1056595149.db2.gz TYZVLICQIYKFRN-UHFFFAOYSA-N -1 3 380.469 3.787 20 10 GHCDHM CCN(C(C)=O)c1ccc(NCc2cc(C)cc(Br)c2[O-])cn1 ZINC000849347161 1067813386 /nfs/dbraw/zinc/81/33/86/1067813386.db2.gz UQCBMPDGSYCMSM-UHFFFAOYSA-N -1 3 378.270 3.843 20 10 GHCDHM Cc1cc(CN2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)ccc1N(C)C ZINC001460265425 1068895315 /nfs/dbraw/zinc/89/53/15/1068895315.db2.gz MMYVWFJCTDIXMU-QGZVFWFLSA-N -1 3 391.437 3.671 20 10 GHCDHM CCOC(=O)c1sc([C@@H]2CCN(Cc3ccc(F)c(F)c3[O-])C2)nc1C ZINC001474687077 1074515071 /nfs/dbraw/zinc/51/50/71/1074515071.db2.gz CJWUIVIPXXGFQS-GFCCVEGCSA-N -1 3 382.432 3.602 20 10 GHCDHM Cc1cc(C[N-]S(=O)(=O)c2cc(C)cnc2Cl)c(C)n1-c1ccccc1 ZINC001475566332 1074915824 /nfs/dbraw/zinc/91/58/24/1074915824.db2.gz CMRVLKFGQRSARX-UHFFFAOYSA-N -1 3 389.908 3.929 20 10 GHCDHM Cc1cc(C(=O)N2CCC[C@@H]3CCC[C@H]32)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235413 599247577 /nfs/dbraw/zinc/24/75/77/599247577.db2.gz XSCPFXFJLPYEJU-OXJNMPFZSA-N -1 3 390.491 3.679 20 10 GHCDHM Cc1ccc([C@H](C)NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)o1 ZINC000737320223 598610925 /nfs/dbraw/zinc/61/09/25/598610925.db2.gz JBRRXBROUWPFEN-AWEZNQCLSA-N -1 3 390.447 3.667 20 10 GHCDHM Cc1cc(C(=O)N([C@@H](C)C(C)C)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227563 598612054 /nfs/dbraw/zinc/61/20/54/598612054.db2.gz MYMBYXCDLCVSCI-HNNXBMFYSA-N -1 3 392.507 3.923 20 10 GHCDHM Cc1cc(C(=O)N2CCC[C@H]2C2CCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233303 598612064 /nfs/dbraw/zinc/61/20/64/598612064.db2.gz DLAPPUXIMCJPPO-FQEVSTJZSA-N -1 3 390.491 3.679 20 10 GHCDHM O=C([O-])N1CCc2cccc(CNCc3ccc(N4CCSCC4)cc3)c21 ZINC000832086733 603853600 /nfs/dbraw/zinc/85/36/00/603853600.db2.gz IGHLRWVDZHHQDP-UHFFFAOYSA-N -1 3 383.517 3.570 20 10 GHCDHM O=C([O-])Nc1ccc2c(c1)CC[C@H]2NCc1ccc(N2CCOCC2)c(F)c1 ZINC000834261800 605583463 /nfs/dbraw/zinc/58/34/63/605583463.db2.gz FNADTVWDELIMSR-LJQANCHMSA-N -1 3 385.439 3.529 20 10 GHCDHM Cc1ccc(C)c(N2C(=O)C(=Cc3cc(-c4nnn[n-]4)cs3)SC2=S)c1 ZINC000822231634 606336380 /nfs/dbraw/zinc/33/63/80/606336380.db2.gz BHIAAYQJVSZCEO-AUWJEWJLSA-N -1 3 399.526 3.951 20 10 GHCDHM Cc1ccc(C)c(N2C(=O)C(=Cc3cc(-c4nn[n-]n4)cs3)SC2=S)c1 ZINC000822231634 606336381 /nfs/dbraw/zinc/33/63/81/606336381.db2.gz BHIAAYQJVSZCEO-AUWJEWJLSA-N -1 3 399.526 3.951 20 10 GHCDHM CC(C)(C)c1cnc(SCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)s1 ZINC000819966017 607120266 /nfs/dbraw/zinc/12/02/66/607120266.db2.gz SKJHKGODRVDSRS-UHFFFAOYSA-N -1 3 399.505 3.963 20 10 GHCDHM CC(C)(C)c1cnc(SCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)s1 ZINC000819966017 607120267 /nfs/dbraw/zinc/12/02/67/607120267.db2.gz SKJHKGODRVDSRS-UHFFFAOYSA-N -1 3 399.505 3.963 20 10 GHCDHM CCCCN(C)C(=O)C1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000177036246 835549990 /nfs/dbraw/zinc/54/99/90/835549990.db2.gz BKXLXQJDHONCIS-UHFFFAOYSA-N -1 3 380.916 3.719 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1[O-] ZINC000175766931 835710040 /nfs/dbraw/zinc/71/00/40/835710040.db2.gz OELMSEQGGDCOQB-UHFFFAOYSA-N -1 3 388.395 3.686 20 10 GHCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1ccc(F)c2cccnc12 ZINC000731845283 861904266 /nfs/dbraw/zinc/90/42/66/861904266.db2.gz UIZVFCMVNRPKOD-UHFFFAOYSA-N -1 3 388.826 3.908 20 10 GHCDHM C[S@](=O)C[C@@H](NCc1cc(Br)cc(F)c1[O-])c1ccccc1 ZINC000894424445 851286584 /nfs/dbraw/zinc/28/65/84/851286584.db2.gz GFCVGTNEVTZXLX-QRQCRPRQSA-N -1 3 386.286 3.503 20 10 GHCDHM Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000734518515 864273134 /nfs/dbraw/zinc/27/31/34/864273134.db2.gz ZOWQXFKBVAFSNZ-UHFFFAOYSA-N -1 3 391.475 3.854 20 10 GHCDHM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCC[C@@H](N3CCCC3)CC2)c1[O-] ZINC000738270018 865510994 /nfs/dbraw/zinc/51/09/94/865510994.db2.gz IFDIWVWJIIEGEI-LJQANCHMSA-N -1 3 394.515 3.779 20 10 GHCDHM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCC[C@@H](N3CCCC3)CC2)c1[O-] ZINC000738270018 865510996 /nfs/dbraw/zinc/51/09/96/865510996.db2.gz IFDIWVWJIIEGEI-LJQANCHMSA-N -1 3 394.515 3.779 20 10 GHCDHM COC(=O)CN(Cc1cc(OC)c(OC)cc1C)Cc1cc(Cl)ccc1[O-] ZINC000769380333 874008381 /nfs/dbraw/zinc/00/83/81/874008381.db2.gz HNYZDVZQTYKGJR-UHFFFAOYSA-N -1 3 393.867 3.546 20 10 GHCDHM CC(C)[C@@H](NCc1c([O-])cccc1Br)c1nnc2ccccn21 ZINC000858120292 882861304 /nfs/dbraw/zinc/86/13/04/882861304.db2.gz BHRGEFRLPSRZIX-MRXNPFEDSA-N -1 3 375.270 3.684 20 10 GHCDHM CC(=O)c1cccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000771059042 875015742 /nfs/dbraw/zinc/01/57/42/875015742.db2.gz PFBARSSBMNVVER-IBGZPJMESA-N -1 3 386.879 3.643 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2ccc3c(c2)N(C(N)=O)CCC3)c1 ZINC000785562888 876131471 /nfs/dbraw/zinc/13/14/71/876131471.db2.gz QITSZBHMZKKJKW-UHFFFAOYSA-N -1 3 390.281 3.907 20 10 GHCDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000068139045 877991318 /nfs/dbraw/zinc/99/13/18/877991318.db2.gz FHNXDKGBTLRKEI-UHFFFAOYSA-N -1 3 396.534 3.763 20 10 GHCDHM O=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179932134 878214461 /nfs/dbraw/zinc/21/44/61/878214461.db2.gz DBNNBETWQHCESC-UHFFFAOYSA-N -1 3 382.357 3.508 20 10 GHCDHM COc1cccc(NC(=O)c2ccccc2NC(=O)c2cccc(O)c2[O-])c1 ZINC000776640142 878774089 /nfs/dbraw/zinc/77/40/89/878774089.db2.gz BVIPTWFKCAYQEC-UHFFFAOYSA-N -1 3 378.384 3.611 20 10 GHCDHM O=S(=O)(C[C@@H]1CCCO1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000776744032 879832178 /nfs/dbraw/zinc/83/21/78/879832178.db2.gz PHHVLMRZJXFYET-ZDUSSCGKSA-N -1 3 390.486 3.590 20 10 GHCDHM O=C(Nc1cc(-c2ccccc2Br)no1)c1cccc(O)c1[O-] ZINC000790707030 879940181 /nfs/dbraw/zinc/94/01/81/879940181.db2.gz LJJKJBLZZGHXGK-UHFFFAOYSA-N -1 3 375.178 3.768 20 10 GHCDHM O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)[N-]OCC1CCC1 ZINC000856346391 881155941 /nfs/dbraw/zinc/15/59/41/881155941.db2.gz YIAQOJIOYVUWMH-GXDHUFHOSA-N -1 3 396.559 3.577 20 10 GHCDHM CCOC(=O)c1cc(NCc2cc(Cl)c3cccnc3c2[O-])cnc1F ZINC001168525413 883603626 /nfs/dbraw/zinc/60/36/26/883603626.db2.gz CNPOKFDCVRKBBZ-UHFFFAOYSA-N -1 3 375.787 3.917 20 10 GHCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1coc(C(F)F)c1 ZINC000860242345 884474480 /nfs/dbraw/zinc/47/44/80/884474480.db2.gz PZFQKYZIRGLLKO-AWEZNQCLSA-N -1 3 384.810 3.971 20 10 GHCDHM CC(C)(C)OC(=O)[C@H]1CN(Cc2cc3oc4ccccc4c3cc2[O-])CCO1 ZINC000747464934 886098902 /nfs/dbraw/zinc/09/89/02/886098902.db2.gz DAVLGSJRGTXWHV-HXUWFJFHSA-N -1 3 383.444 3.834 20 10 GHCDHM CCOC(=O)C(=O)Nc1ccc(NCc2cc(Cl)c3cccnc3c2[O-])cc1 ZINC001168523557 893266928 /nfs/dbraw/zinc/26/69/28/893266928.db2.gz PJXMWRVYIFTJCZ-UHFFFAOYSA-N -1 3 399.834 3.708 20 10 GHCDHM CCOC(=O)N(C)c1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000774926091 914091647 /nfs/dbraw/zinc/09/16/47/914091647.db2.gz GPGNFVRURJIPQL-UHFFFAOYSA-N -1 3 375.381 3.514 20 10 GHCDHM CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(CC)cc1[O-] ZINC000819519260 896806232 /nfs/dbraw/zinc/80/62/32/896806232.db2.gz QQXIFORHJVTAKT-UHFFFAOYSA-N -1 3 398.503 3.957 20 10 GHCDHM Cc1cccc(N2CCCN(Cc3cc(Br)c(F)cc3[O-])CC2)n1 ZINC001144306577 901685949 /nfs/dbraw/zinc/68/59/49/901685949.db2.gz HQLXMZIZPLRSEC-UHFFFAOYSA-N -1 3 394.288 3.710 20 10 GHCDHM O=C([O-])c1cnn2c1[nH]c(CN1CCCCC[C@H]1/C=C\c1ccccc1)cc2=O ZINC000846257580 902831141 /nfs/dbraw/zinc/83/11/41/902831141.db2.gz SCSDFXACOIIUAH-LENZSSGSSA-N -1 3 392.459 3.591 20 10 GHCDHM CCN(CC)c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000195537579 909017496 /nfs/dbraw/zinc/01/74/96/909017496.db2.gz AZCWCKZPVOHGKP-UHFFFAOYSA-N -1 3 397.884 3.573 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC001178413200 909049601 /nfs/dbraw/zinc/04/96/01/909049601.db2.gz OFABCBZMKUCXQH-UHFFFAOYSA-N -1 3 379.313 3.666 20 10 GHCDHM CCOC(=O)[C@]1(Cc2ccccc2)CCCN1Cc1cc(F)cc(F)c1[O-] ZINC001180882480 910414046 /nfs/dbraw/zinc/41/40/46/910414046.db2.gz BKGLMFMXYIHJJE-OAQYLSRUSA-N -1 3 375.415 3.811 20 10 GHCDHM CCN(C)C(=O)OC[C@@H]1CCCCN1Cc1cc(C)cc(Br)c1[O-] ZINC001181590748 910850494 /nfs/dbraw/zinc/85/04/94/910850494.db2.gz PIOZRNSPACEGIP-HNNXBMFYSA-N -1 3 399.329 3.906 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCN(c3cccc4cnccc43)C[C@H]2C)c1[O-] ZINC000773962295 911127445 /nfs/dbraw/zinc/12/74/45/911127445.db2.gz UKRPJVIYVOBOQQ-OAHLLOKOSA-N -1 3 393.462 3.993 20 10 GHCDHM COC[C@@H](C)Oc1ccc(Cl)cc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775105723 915113193 /nfs/dbraw/zinc/11/31/93/915113193.db2.gz CMNUXLJLTUKUEK-LLVKDONJSA-N -1 3 396.827 3.988 20 10 GHCDHM CS(=O)(=O)c1ccc(CNCc2c([O-])ccc(Cl)c2F)cc1Cl ZINC000758512367 930066892 /nfs/dbraw/zinc/06/68/92/930066892.db2.gz DIYQBWNHNYOQSV-UHFFFAOYSA-N -1 3 378.252 3.531 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc(C)c(NC(=O)c3ccncc3)c2)c([O-])c1O ZINC000780915647 930637537 /nfs/dbraw/zinc/63/75/37/930637537.db2.gz VVGDSXCMQWWTBD-UHFFFAOYSA-N -1 3 377.400 3.614 20 10 GHCDHM CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000780959010 930652399 /nfs/dbraw/zinc/65/23/99/930652399.db2.gz GQYPBGDJYALBTA-UHFFFAOYSA-N -1 3 398.459 3.683 20 10 GHCDHM Cc1ccc(NC(=O)CN(C)Cc2cc(C)cc(Br)c2[O-])cc1 ZINC000781895988 931016159 /nfs/dbraw/zinc/01/61/59/931016159.db2.gz ZOFZAPQGXMWHJH-UHFFFAOYSA-N -1 3 377.282 3.842 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCCN(c3ncccc3F)CC2)c1 ZINC000784675908 931975476 /nfs/dbraw/zinc/97/54/76/931975476.db2.gz ONPRMGMPMRIXLL-UHFFFAOYSA-N -1 3 394.288 3.710 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1 ZINC000797604402 932342227 /nfs/dbraw/zinc/34/22/27/932342227.db2.gz FJTHDNFUJQPWIM-QWQRMKEZSA-N -1 3 384.314 3.622 20 10 GHCDHM Cc1cc(N2CCSCC2)ccc1NC(=O)NCc1c([O-])cccc1F ZINC000930042925 933789572 /nfs/dbraw/zinc/78/95/72/933789572.db2.gz KVQTXRKWNAUUNX-UHFFFAOYSA-N -1 3 375.469 3.715 20 10 GHCDHM CN(C)c1ccc(/C=C/CN(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1 ZINC001598314248 991295161 /nfs/dbraw/zinc/29/51/61/991295161.db2.gz JXEUECVLAQJLCK-VZSQWMKGSA-N -1 3 378.394 3.941 20 10 GHCDHM C[C@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593295899 994694137 /nfs/dbraw/zinc/69/41/37/994694137.db2.gz HZKAZKXXGLOCMC-HNNXBMFYSA-N -1 3 385.460 3.637 20 10 GHCDHM Cc1ccc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c([O-])c1O ZINC000779331012 1020709573 /nfs/dbraw/zinc/70/95/73/1020709573.db2.gz FVPRTLHPKFVSAW-UHFFFAOYSA-N -1 3 375.837 3.754 20 10 GHCDHM Cc1cc(CN(C)C(=O)c2cccc(O)c2[O-])cc(C)c1OCC(F)(F)F ZINC000192988536 1020907166 /nfs/dbraw/zinc/90/71/66/1020907166.db2.gz GUWKEBPDIWEXCH-UHFFFAOYSA-N -1 3 383.366 3.928 20 10 GHCDHM CCOC[C@@H]1CN(Cc2c([O-])cccc2Cl)Cc2cn(CC3CC3)nc21 ZINC001140338309 1021443119 /nfs/dbraw/zinc/44/31/19/1021443119.db2.gz FCVMWLZEZNFPFK-INIZCTEOSA-N -1 3 375.900 3.788 20 10 GHCDHM CCOC(=O)[C@H]1c2ccc(OC)cc2CCN1Cc1c([O-])cccc1Cl ZINC001140342283 1021454953 /nfs/dbraw/zinc/45/49/53/1021454953.db2.gz BBRVTLUPSLAGSL-LJQANCHMSA-N -1 3 375.852 3.717 20 10 GHCDHM [O-]c1c(O)cc2c(c1Cl)CCN(Cc1ncco1)C[C@H]2c1ccc(O)cc1 ZINC001141011225 1023200267 /nfs/dbraw/zinc/20/02/67/1023200267.db2.gz VVFFCHMKJAXRNG-INIZCTEOSA-N -1 3 386.835 3.635 20 10 GHCDHM C[C@H](NC(=O)NCc1c([O-])cccc1F)c1ccc(F)c(Br)c1 ZINC001228866909 1033148832 /nfs/dbraw/zinc/14/88/32/1033148832.db2.gz GVPXGHFFSBTLCG-VIFPVBQESA-N -1 3 385.208 3.993 20 10 GHCDHM C[C@H](N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756865631 1023839199 /nfs/dbraw/zinc/83/91/99/1023839199.db2.gz TUVLJFRJLURCBH-MGPLVRAMSA-N -1 3 393.802 3.549 20 10 GHCDHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3c([O-])cccc3Br)[C@@H]2C1 ZINC001140100374 1026877854 /nfs/dbraw/zinc/87/78/54/1026877854.db2.gz MSWRGMMHRXFLCE-IUODEOHRSA-N -1 3 397.313 3.596 20 10 GHCDHM C[C@@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])CC[C@@H]1O ZINC001203562279 1027433749 /nfs/dbraw/zinc/43/37/49/1027433749.db2.gz GRDBULBIDKIJAE-RNCFNFMXSA-N -1 3 393.119 3.510 20 10 GHCDHM CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1cc(Cl)ccc1[O-])CCO2 ZINC001203651457 1027506964 /nfs/dbraw/zinc/50/69/64/1027506964.db2.gz PFBISGAOSZHBTP-UHFFFAOYSA-N -1 3 396.915 3.648 20 10 GHCDHM CC(C)(C)OC(=O)N1CCC2(CC1)COCCN2Cc1cc(Cl)ccc1[O-] ZINC001203651462 1027507440 /nfs/dbraw/zinc/50/74/40/1027507440.db2.gz PJCWPOPZTKJUKQ-UHFFFAOYSA-N -1 3 396.915 3.648 20 10 GHCDHM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cc(Cl)ccc2[O-])CC1(F)F ZINC001203664026 1027517250 /nfs/dbraw/zinc/51/72/50/1027517250.db2.gz MFUMRRAXBLXYGR-CQSZACIVSA-N -1 3 376.831 3.780 20 10 GHCDHM O=C([O-])[C@@H]1CCCCN1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000840997396 1028031348 /nfs/dbraw/zinc/03/13/48/1028031348.db2.gz CLUTVLCOGGGIIM-KRWDZBQOSA-N -1 3 381.314 3.879 20 10 GHCDHM [O-]c1cc(F)c(F)cc1CN1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 ZINC001142517399 1029022655 /nfs/dbraw/zinc/02/26/55/1029022655.db2.gz LZARBUXDAFTCBP-IBGZPJMESA-N -1 3 395.400 3.803 20 10 GHCDHM [O-]c1c(O)cccc1-c1nc(-c2cc(F)cc(I)c2)no1 ZINC001215145990 1029059254 /nfs/dbraw/zinc/05/92/54/1029059254.db2.gz VQXDFQFDBLXYSC-UHFFFAOYSA-N -1 3 398.131 3.559 20 10 GHCDHM CC(=O)c1ccc(-c2noc(-c3cccc(O)c3[O-])n2)c(Br)c1 ZINC001215145919 1029059595 /nfs/dbraw/zinc/05/95/95/1029059595.db2.gz RBZNUHZFYJYXNQ-UHFFFAOYSA-N -1 3 375.178 3.780 20 10 GHCDHM O=C1c2cccc([O-])c2C(=O)c2c(OC[C@H]3CC[C@@]4(CCCCO4)O3)cccc21 ZINC001226380484 1031939206 /nfs/dbraw/zinc/93/92/06/1031939206.db2.gz WINBTVBVEKAHEW-QKFKETGDSA-N -1 3 394.423 3.622 20 10 GHCDHM CN1CCC(OC2=CC(=O)C=CC2=NNc2ccc(S(=O)(=O)[O-])cc2)CC1 ZINC001229413643 1033469396 /nfs/dbraw/zinc/46/93/96/1033469396.db2.gz AHIGBOVVKVVATL-FMQUCBEESA-N -1 3 391.449 3.527 20 10 GHCDHM Cc1c([O-])cc2c(c1OC1CCN(C(C)C)CC1)C(=O)c1ccccc1C2=O ZINC001229829054 1033739628 /nfs/dbraw/zinc/73/96/28/1033739628.db2.gz LTABAHLXWSMWIM-UHFFFAOYSA-N -1 3 379.456 3.728 20 10 GHCDHM CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc(C(=O)[O-])ccc1O ZINC001231566004 1034714783 /nfs/dbraw/zinc/71/47/83/1034714783.db2.gz GZHYUDJJMBMBMJ-COXVUDFISA-N -1 3 375.465 3.565 20 10 GHCDHM Cc1cc([O-])c(CN2Cc3c(cnn3C)[C@H](COc3cccnc3)C2)cc1Cl ZINC001231867028 1034954122 /nfs/dbraw/zinc/95/41/22/1034954122.db2.gz KDPCWHKIEFKUFJ-INIZCTEOSA-N -1 3 398.894 3.661 20 10 GHCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cncc(F)c1Cl ZINC001160960484 1035106782 /nfs/dbraw/zinc/10/67/82/1035106782.db2.gz IIKZLKNDXLYQLU-ZDUSSCGKSA-N -1 3 398.265 3.628 20 10 GHCDHM CS(=O)(=O)c1cccc(C2CCN(Cc3cc(Cl)c([O-])cc3O)CC2)c1 ZINC001232263682 1037984963 /nfs/dbraw/zinc/98/49/63/1037984963.db2.gz DAUXONGDVAAWNM-UHFFFAOYSA-N -1 3 395.908 3.534 20 10 GHCDHM [O-]c1cc(I)ccc1CN1CCC[C@@H](F)C(F)(F)C1 ZINC001232974030 1038744453 /nfs/dbraw/zinc/74/44/53/1038744453.db2.gz GJANLTBYRSDVHU-GFCCVEGCSA-N -1 3 385.167 3.566 20 10 GHCDHM [O-]c1c(CN2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)ccc(F)c1F ZINC001233073586 1038835057 /nfs/dbraw/zinc/83/50/57/1038835057.db2.gz ABHSEKIANPFVFQ-LJQANCHMSA-N -1 3 395.400 3.803 20 10 GHCDHM COc1cccnc1O[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233419875 1039283185 /nfs/dbraw/zinc/28/31/85/1039283185.db2.gz PSXUCSVYQNHBLR-CQSZACIVSA-N -1 3 382.382 3.858 20 10 GHCDHM Cn1cc2c(n1)CN(Cc1ccc(C(F)(F)F)cc1[O-])C[C@@H]2COCC1CC1 ZINC001233452973 1039337348 /nfs/dbraw/zinc/33/73/48/1039337348.db2.gz PSTXAPIXEJEPMS-OAHLLOKOSA-N -1 3 395.425 3.671 20 10 GHCDHM C[C@@H](Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12)c1ccncc1F ZINC001234753692 1040281665 /nfs/dbraw/zinc/28/16/65/1040281665.db2.gz QRZAZNVYYDBEHW-SECBINFHSA-N -1 3 383.331 3.737 20 10 GHCDHM Cc1cccnc1O[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001235075196 1040564064 /nfs/dbraw/zinc/56/40/64/1040564064.db2.gz LFLPZDWGJZRENY-CQSZACIVSA-N -1 3 381.245 3.651 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c1 ZINC001236669384 1041817594 /nfs/dbraw/zinc/81/75/94/1041817594.db2.gz IRCPCPDJQXWTBZ-HIFRSBDPSA-N -1 3 397.313 3.514 20 10 GHCDHM COc1cc([O-])c(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c(Cl)c1 ZINC001236795118 1041899872 /nfs/dbraw/zinc/89/98/72/1041899872.db2.gz JBCIIPILLFZVGX-UHFFFAOYSA-N -1 3 387.867 3.947 20 10 GHCDHM COc1ccc(CN2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)c([O-])c1Cl ZINC001236800987 1041903064 /nfs/dbraw/zinc/90/30/64/1041903064.db2.gz BACQLBIOWOGPCR-IBGZPJMESA-N -1 3 382.888 3.640 20 10 GHCDHM COc1ccc(CN2CCCC[C@H]2CNC(=O)OC(C)(C)C)c([O-])c1Cl ZINC001236801491 1041904170 /nfs/dbraw/zinc/90/41/70/1041904170.db2.gz KEHHJPNPYWMGOH-AWEZNQCLSA-N -1 3 384.904 3.933 20 10 GHCDHM COc1cccc(O[C@H]2CCCN(Cc3ccc(OC)c(Cl)c3[O-])C2)n1 ZINC001236810275 1041910595 /nfs/dbraw/zinc/91/05/95/1041910595.db2.gz RBXUJAREJQQJJC-AWEZNQCLSA-N -1 3 378.856 3.501 20 10 GHCDHM COc1ccc(CN2C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]2C)c([O-])c1Cl ZINC001236812251 1041912060 /nfs/dbraw/zinc/91/20/60/1041912060.db2.gz UIIBLEKIJRXZIX-JSGCOSHPSA-N -1 3 384.904 3.932 20 10 GHCDHM COc1cc([O-])c(CN2CCOC[C@H]2c2csc(C)n2)c(Br)c1 ZINC001237061844 1042016027 /nfs/dbraw/zinc/01/60/27/1042016027.db2.gz LNLXJXCOXHJPFD-HNNXBMFYSA-N -1 3 399.310 3.502 20 10 GHCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001237077878 1042024508 /nfs/dbraw/zinc/02/45/08/1042024508.db2.gz LLKMMFCSONUFRA-WCQYABFASA-N -1 3 376.177 3.926 20 10 GHCDHM [O-]c1ccc(Cl)c(Cl)c1CN1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001237080519 1042026378 /nfs/dbraw/zinc/02/63/78/1042026378.db2.gz MQUANMVDXLCUMO-YJYMSZOUSA-N -1 3 395.286 3.621 20 10 GHCDHM O=c1ccc2c(n1CC1CC1)CCN(Cc1c([O-])ccc(Cl)c1Cl)CC2 ZINC001237082294 1042027792 /nfs/dbraw/zinc/02/77/92/1042027792.db2.gz YFXALELHYPRNTK-UHFFFAOYSA-N -1 3 393.314 3.872 20 10 GHCDHM NC(=O)c1ccc(O[C@@H]2CCCN(Cc3c([O-])ccc(Cl)c3Cl)C2)cc1 ZINC001237085879 1042029000 /nfs/dbraw/zinc/02/90/00/1042029000.db2.gz JYBJCIODBFRKOX-CQSZACIVSA-N -1 3 395.286 3.841 20 10 GHCDHM COc1ccc(C(=O)NC2CCN(Cc3c([O-])ccc(F)c3Cl)CC2)cc1 ZINC001237126679 1042053990 /nfs/dbraw/zinc/05/39/90/1042053990.db2.gz ONVCCMTYGBGIFF-UHFFFAOYSA-N -1 3 392.858 3.588 20 10 GHCDHM Cc1cc([O-])c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1Br ZINC001237676179 1042316979 /nfs/dbraw/zinc/31/69/79/1042316979.db2.gz GIRASHYXWXSSKG-UHFFFAOYSA-N -1 3 385.302 3.516 20 10 GHCDHM Cc1nc([C@H]2COCCN2Cc2cc(Br)c(C)cc2[O-])cs1 ZINC001237679096 1042320427 /nfs/dbraw/zinc/32/04/27/1042320427.db2.gz FCKNVOGGMIDJDV-OAHLLOKOSA-N -1 3 383.311 3.802 20 10 GHCDHM C[C@@H]1CCN(Cc2cccc(I)c2[O-])CCC1(F)F ZINC001237776235 1042363796 /nfs/dbraw/zinc/36/37/96/1042363796.db2.gz JHOFMCVHUCLZPU-SNVBAGLBSA-N -1 3 381.204 3.864 20 10 GHCDHM O=C1C[C@@]2(CCN(Cc3cc(F)cc(Cl)c3[O-])C2)CN1c1ccsc1 ZINC001237798812 1042375687 /nfs/dbraw/zinc/37/56/87/1042375687.db2.gz BMCMTGMDIRPXPF-GOSISDBHSA-N -1 3 380.872 3.875 20 10 GHCDHM O=S(=O)(Cc1ccccc1Cl)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001260698362 1045615801 /nfs/dbraw/zinc/61/58/01/1045615801.db2.gz ZYYIUHPQUPCJGG-UHFFFAOYSA-N -1 3 397.283 3.867 20 10 GHCDHM COC(=O)c1cccc(NC2CCN(Cc3cc(F)cc(F)c3[O-])CC2)c1 ZINC001308743270 1050078205 /nfs/dbraw/zinc/07/82/05/1050078205.db2.gz DNCOXKCCXKJISH-UHFFFAOYSA-N -1 3 376.403 3.534 20 10 GHCDHM [O-]c1c(F)cc(Br)cc1CN1CCC(Nc2ccccn2)CC1 ZINC001308945215 1050205851 /nfs/dbraw/zinc/20/58/51/1050205851.db2.gz YKLRWQCRTONXGM-UHFFFAOYSA-N -1 3 380.261 3.765 20 10 GHCDHM O=C([N-]c1c2nonc2ccc1Cl)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001321388905 1056242790 /nfs/dbraw/zinc/24/27/90/1056242790.db2.gz OVDPGFGOTWRDGZ-UHFFFAOYSA-N -1 3 397.572 3.799 20 10 GHCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC(OC(C)(C)C)CC1 ZINC001340210687 1059766670 /nfs/dbraw/zinc/76/66/70/1059766670.db2.gz RVJBCTAPPYMOKR-UHFFFAOYSA-N -1 3 387.509 3.581 20 10 GHCDHM C[C@@H]1CCCN(c2ccc(CNC(=O)c3cccc4n[n-]nc43)cc2Cl)C1 ZINC001448448440 1060187833 /nfs/dbraw/zinc/18/78/33/1060187833.db2.gz IFRGAKUDRGHHPR-CYBMUJFWSA-N -1 3 383.883 3.778 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](C)[C@@H]2CNC(=O)OC(C)(C)C)c1[O-] ZINC001459608293 1064141060 /nfs/dbraw/zinc/14/10/60/1064141060.db2.gz KYQCDYFLRAQAMU-UGSOOPFHSA-N -1 3 394.487 3.859 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC(F)(F)C[C@@H]1C ZINC001357516144 1067141154 /nfs/dbraw/zinc/14/11/54/1067141154.db2.gz GVENHPLDGYSPIM-JTQLQIEISA-N -1 3 379.436 3.904 20 10 GHCDHM CN(Cc1c([O-])cccc1Br)[C@H]1CCN(c2ccccc2F)C1=O ZINC001474375504 1074372632 /nfs/dbraw/zinc/37/26/32/1074372632.db2.gz VRMJKWXZNZSECC-INIZCTEOSA-N -1 3 393.256 3.531 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2Cc3cnn(C)c3CC(C)(C)C2)c1 ZINC001474649080 1074499340 /nfs/dbraw/zinc/49/93/40/1074499340.db2.gz YSFRPIYKNJUOBO-UHFFFAOYSA-N -1 3 378.314 3.781 20 10 GHCDHM Cc1cc(C)c(NNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c(C)c1 ZINC000822194306 599231553 /nfs/dbraw/zinc/23/15/53/599231553.db2.gz RGEQNACRVQYJGV-UHFFFAOYSA-N -1 3 387.900 3.759 20 10 GHCDHM Cc1cc(C)c(NNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c(C)c1 ZINC000822194306 599231555 /nfs/dbraw/zinc/23/15/55/599231555.db2.gz RGEQNACRVQYJGV-UHFFFAOYSA-N -1 3 387.900 3.759 20 10 GHCDHM Cc1cc(C(=O)N2CCC[C@@H]2C(C)(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235121 598233820 /nfs/dbraw/zinc/23/38/20/598233820.db2.gz SBVGOAAVAABFOV-LJQANCHMSA-N -1 3 392.507 3.925 20 10 GHCDHM Cc1cc(C(=O)N(C)[C@H](C)C(C)(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227267 598610081 /nfs/dbraw/zinc/61/00/81/598610081.db2.gz JSGZVTSMYUEYRB-OAHLLOKOSA-N -1 3 380.496 3.781 20 10 GHCDHM Cc1cc(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227675 598610220 /nfs/dbraw/zinc/61/02/20/598610220.db2.gz PDAAOLOBMXVTQN-IFXJQAMLSA-N -1 3 392.507 3.925 20 10 GHCDHM CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736532013 598629219 /nfs/dbraw/zinc/62/92/19/598629219.db2.gz PBZPBXWNUQEOKN-UHFFFAOYSA-N -1 3 397.458 3.516 20 10 GHCDHM CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736532013 598629220 /nfs/dbraw/zinc/62/92/20/598629220.db2.gz PBZPBXWNUQEOKN-UHFFFAOYSA-N -1 3 397.458 3.516 20 10 GHCDHM COc1ccc2[nH]cc(C3=CCN(c4ccc(F)cc4-c4nnn[n-]4)CC3)c2c1 ZINC000821845967 599482413 /nfs/dbraw/zinc/48/24/13/599482413.db2.gz MSRDQMPAYJKGHQ-UHFFFAOYSA-N -1 3 390.422 3.789 20 10 GHCDHM COc1ccc2[nH]cc(C3=CCN(c4ccc(F)cc4-c4nn[n-]n4)CC3)c2c1 ZINC000821845967 599482416 /nfs/dbraw/zinc/48/24/16/599482416.db2.gz MSRDQMPAYJKGHQ-UHFFFAOYSA-N -1 3 390.422 3.789 20 10 GHCDHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000820966385 599655684 /nfs/dbraw/zinc/65/56/84/599655684.db2.gz DOXQLRJVLNJTRB-CXAGYDPISA-N -1 3 378.480 3.535 20 10 GHCDHM Cc1cc(C(=O)Nc2sc(C)nc2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822431648 606295642 /nfs/dbraw/zinc/29/56/42/606295642.db2.gz DGWXHLXMHNBGFL-UHFFFAOYSA-N -1 3 393.476 3.600 20 10 GHCDHM Cc1cccc(N2C(=O)C(=Cc3cc(-c4nnn[n-]4)cs3)SC2=S)c1 ZINC000822309401 606334318 /nfs/dbraw/zinc/33/43/18/606334318.db2.gz XFSDWOPKLPXDDS-NTUHNPAUSA-N -1 3 385.499 3.642 20 10 GHCDHM Cc1cccc(N2C(=O)C(=Cc3cc(-c4nn[n-]n4)cs3)SC2=S)c1 ZINC000822309401 606334320 /nfs/dbraw/zinc/33/43/20/606334320.db2.gz XFSDWOPKLPXDDS-NTUHNPAUSA-N -1 3 385.499 3.642 20 10 GHCDHM CCN(CC(=O)Nc1c(F)cccc1F)Cc1cccc(Br)c1[O-] ZINC000160248788 835257451 /nfs/dbraw/zinc/25/74/51/835257451.db2.gz YQIGSVBNDQLSDI-UHFFFAOYSA-N -1 3 399.235 3.894 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1[O-] ZINC000177087259 835825477 /nfs/dbraw/zinc/82/54/77/835825477.db2.gz KKCFABZFKLDNOR-ZDUSSCGKSA-N -1 3 380.916 3.621 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1[O-] ZINC000177166009 836016014 /nfs/dbraw/zinc/01/60/14/836016014.db2.gz KGVOAHGJHQVXGF-CQSZACIVSA-N -1 3 380.916 3.623 20 10 GHCDHM CC(=O)c1cc(F)cc(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1[O-] ZINC000177247874 836184998 /nfs/dbraw/zinc/18/49/98/836184998.db2.gz VCPDBOFRNAMQRL-UHFFFAOYSA-N -1 3 396.462 3.791 20 10 GHCDHM CSc1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)o1 ZINC000134266312 839807667 /nfs/dbraw/zinc/80/76/67/839807667.db2.gz NUXZULADVSCXGI-CQSZACIVSA-N -1 3 380.897 3.755 20 10 GHCDHM COc1c([O-])c(CNc2cccc(C(=O)N3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000278954593 842374498 /nfs/dbraw/zinc/37/44/98/842374498.db2.gz ZZYQLFNRBONENI-UHFFFAOYSA-N -1 3 385.420 3.547 20 10 GHCDHM COc1c([O-])c(CNc2ccccc2N2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278863083 843077807 /nfs/dbraw/zinc/07/78/07/843077807.db2.gz MCDFDAFGWMMXMH-ZIAGYGMSSA-N -1 3 387.436 3.535 20 10 GHCDHM COc1c([O-])c(CNc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000278882549 843502406 /nfs/dbraw/zinc/50/24/06/843502406.db2.gz OJFQVVDLMKFZBT-ZIAGYGMSSA-N -1 3 387.436 3.535 20 10 GHCDHM CCS(=O)(=O)c1ccc(CNCc2cc(Cl)cc(Cl)c2[O-])s1 ZINC000280588377 846452275 /nfs/dbraw/zinc/45/22/75/846452275.db2.gz MZOBZCRMLUBUES-UHFFFAOYSA-N -1 3 380.318 3.844 20 10 GHCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1cc(F)cc2cccnc21 ZINC000731844527 861903680 /nfs/dbraw/zinc/90/36/80/861903680.db2.gz FCCKFSXKSFYDDM-UHFFFAOYSA-N -1 3 388.826 3.908 20 10 GHCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1ccccc1OC(F)F ZINC000732202759 862144824 /nfs/dbraw/zinc/14/48/24/862144824.db2.gz AXISOPVASBBUAV-UHFFFAOYSA-N -1 3 385.794 3.822 20 10 GHCDHM C[C@@]1(O)CCCN(Cc2cc(Br)cc(Br)c2[O-])CC1 ZINC000793249635 882045200 /nfs/dbraw/zinc/04/52/00/882045200.db2.gz HISFPVJLVOVJIT-CQSZACIVSA-N -1 3 393.119 3.654 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cnn(Cc3ccc(OC)cc3)c2)c1 ZINC000793564293 882272855 /nfs/dbraw/zinc/27/28/55/882272855.db2.gz LUVAXJPARYQVPH-AWEZNQCLSA-N -1 3 381.432 3.605 20 10 GHCDHM CN(C)c1ccc(-c2nc(C(=O)Nc3ccc4[nH][n-]c(=O)c4c3)cs2)cc1 ZINC001193173290 870907675 /nfs/dbraw/zinc/90/76/75/870907675.db2.gz JLEGNALOCXXVBC-UHFFFAOYSA-N -1 3 379.445 3.710 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)c([O-])c1O ZINC000182151586 871919398 /nfs/dbraw/zinc/91/93/98/871919398.db2.gz WWNLVLSJTOLVOF-UHFFFAOYSA-N -1 3 396.365 3.514 20 10 GHCDHM COc1cncc(Cl)c1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001195238479 872306290 /nfs/dbraw/zinc/30/62/90/872306290.db2.gz AXSWQRBVBDZSHX-UHFFFAOYSA-N -1 3 378.215 3.581 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccc(OC(F)(F)F)nc1 ZINC001196042446 872851792 /nfs/dbraw/zinc/85/17/92/872851792.db2.gz KFZHPTOUBXSGSC-UHFFFAOYSA-N -1 3 397.740 3.817 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC([C@@](C)(O)C(F)(F)F)CC2)c1 ZINC000768532011 873363874 /nfs/dbraw/zinc/36/38/74/873363874.db2.gz JYOMICWTDVSGOI-OAHLLOKOSA-N -1 3 396.247 3.988 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2ccc3c(c2)N(C(N)=O)CC3)c1 ZINC000785570632 876134271 /nfs/dbraw/zinc/13/42/71/876134271.db2.gz CGJSPVUNWRVLCB-UHFFFAOYSA-N -1 3 376.254 3.516 20 10 GHCDHM [O-]c1ccc(Br)cc1CN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000093512581 912306947 /nfs/dbraw/zinc/30/69/47/912306947.db2.gz CATKPQLAWLWVAQ-UHFFFAOYSA-N -1 3 396.716 3.521 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2nccc(C(F)(F)F)n2)c1[O-] ZINC000852477334 878363583 /nfs/dbraw/zinc/36/35/83/878363583.db2.gz RLAIFXBVYWTQSK-AWEZNQCLSA-N -1 3 383.345 3.880 20 10 GHCDHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCN(c4ccc(OC)cc4)C3)nc2)n1 ZINC000853759252 879265631 /nfs/dbraw/zinc/26/56/31/879265631.db2.gz QGNBFAGYSOMQAG-KRWDZBQOSA-N -1 3 391.475 3.506 20 10 GHCDHM COc1cc(CN(C)C(=O)c2cccc(O)c2[O-])ccc1OCc1ccccc1 ZINC000790475475 879748095 /nfs/dbraw/zinc/74/80/95/879748095.db2.gz SXELXJBAZYFOTF-UHFFFAOYSA-N -1 3 393.439 3.958 20 10 GHCDHM Cc1ccc([C@@H](CN2CCOCC2)NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000790947649 880093056 /nfs/dbraw/zinc/09/30/56/880093056.db2.gz VLVXEJNHZDICJN-GOSISDBHSA-N -1 3 378.875 3.656 20 10 GHCDHM CC(C)(C)OC(=O)NCCCN(CC1CCCC1)C(=O)c1cccc(O)c1[O-] ZINC000805480065 883847842 /nfs/dbraw/zinc/84/78/42/883847842.db2.gz XCGXQUPWQXTEQB-UHFFFAOYSA-N -1 3 392.496 3.645 20 10 GHCDHM COCc1ncc2c(n1)CCN(Cc1cc3oc4ccccc4c3cc1[O-])C2 ZINC000872629868 891288279 /nfs/dbraw/zinc/28/82/79/891288279.db2.gz QZEDYSHTRIVFTI-UHFFFAOYSA-N -1 3 375.428 3.786 20 10 GHCDHM COc1c([O-])c(CN(C)Cc2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000774834129 913662181 /nfs/dbraw/zinc/66/21/81/913662181.db2.gz BJIJCOPMOFVGGX-UHFFFAOYSA-N -1 3 381.226 3.704 20 10 GHCDHM COc1ccc(CN(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1OC(F)F ZINC000774837570 913700798 /nfs/dbraw/zinc/70/07/98/913700798.db2.gz ZPHMBSNMDQPSMD-UHFFFAOYSA-N -1 3 398.362 3.551 20 10 GHCDHM C[C@@H]1c2nnc(C3CCCC3)n2CCN1Cc1ccc(Br)cc1[O-] ZINC000825940055 893502422 /nfs/dbraw/zinc/50/24/22/893502422.db2.gz KOXJRPINLONBJA-GFCCVEGCSA-N -1 3 391.313 3.981 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2ccc(C(N)=O)cc2OC(C)C)c1 ZINC000817418290 895594206 /nfs/dbraw/zinc/59/42/06/895594206.db2.gz JGLCSFGSHUHDIM-UHFFFAOYSA-N -1 3 393.281 3.961 20 10 GHCDHM O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)[N-]OCCC1CC1 ZINC000817446611 895644426 /nfs/dbraw/zinc/64/44/26/895644426.db2.gz RGIMCXFPHFKNKC-KAMYIIQDSA-N -1 3 396.559 3.577 20 10 GHCDHM CCN(CC(=O)Nc1ccccc1OC)Cc1ccc(Br)cc1[O-] ZINC000824475123 899620823 /nfs/dbraw/zinc/62/08/23/899620823.db2.gz ZGTTYRWWBDLVCA-UHFFFAOYSA-N -1 3 393.281 3.624 20 10 GHCDHM COc1ccccc1O[C@@H]1CCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144299727 901650702 /nfs/dbraw/zinc/65/07/02/901650702.db2.gz HMNMGDGBHYQFPB-CYBMUJFWSA-N -1 3 396.256 3.956 20 10 GHCDHM CC(C)(C)OC(=O)C[C@@H]1CCCN1Cc1cc(Br)c(F)cc1[O-] ZINC001144307607 901696414 /nfs/dbraw/zinc/69/64/14/901696414.db2.gz BPQFPLIAXZVDFI-LBPRGKRZSA-N -1 3 388.277 3.990 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](OCc2ccc(Cl)cc2Cl)C1 ZINC001148214417 904009360 /nfs/dbraw/zinc/00/93/60/904009360.db2.gz RDAOTWLOYSTALO-ZDUSSCGKSA-N -1 3 382.243 3.836 20 10 GHCDHM O=C(NCc1ccc(Br)c(C(F)(F)F)c1)c1cccc(O)c1[O-] ZINC001148224726 904011321 /nfs/dbraw/zinc/01/13/21/904011321.db2.gz UAZIRCKTJMINGC-UHFFFAOYSA-N -1 3 390.155 3.809 20 10 GHCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CC[C@@H](OCc2ccc(Cl)cc2Cl)C1 ZINC001148584877 904127954 /nfs/dbraw/zinc/12/79/54/904127954.db2.gz YMMPBWHQNSTFNK-CYBMUJFWSA-N -1 3 398.242 3.542 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2Cc3ccccc3C[C@H]2c2nnc(C)o2)c1[O-] ZINC000175590147 905603477 /nfs/dbraw/zinc/60/34/77/905603477.db2.gz MMUXFEGNERAHQY-IBGZPJMESA-N -1 3 381.407 3.725 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1CCCN(c2ccccn2)C1 ZINC001176969752 908338911 /nfs/dbraw/zinc/33/89/11/908338911.db2.gz FNZRPRHYHPMAPV-AWEZNQCLSA-N -1 3 396.878 3.522 20 10 GHCDHM COc1ccc2c(c1)CC[C@@H]2C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001182449614 911702367 /nfs/dbraw/zinc/70/23/67/911702367.db2.gz ITRRIYAFURXMGC-INIZCTEOSA-N -1 3 382.847 3.949 20 10 GHCDHM [O-]c1c(F)cc(Cl)cc1CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001182712928 911996639 /nfs/dbraw/zinc/99/66/39/911996639.db2.gz DEDWGGMDMVEEOH-UXHICEINSA-N -1 3 390.886 3.660 20 10 GHCDHM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(Oc3cccnc3)cc2)ccc1O ZINC001188892016 916279489 /nfs/dbraw/zinc/27/94/89/916279489.db2.gz IOZMZXRDZJJFMM-UHFFFAOYSA-N -1 3 384.413 3.583 20 10 GHCDHM CC[C@@](NCc1cc(F)cc(C(C)=O)c1[O-])(C(=O)OC)c1ccc(Cl)cc1 ZINC000796443379 917332346 /nfs/dbraw/zinc/33/23/46/917332346.db2.gz SESJJTDCFVGTCA-FQEVSTJZSA-N -1 3 393.842 3.955 20 10 GHCDHM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2[O-])[C@H](c2cccnc2)C1 ZINC000800531846 920247004 /nfs/dbraw/zinc/24/70/04/920247004.db2.gz HPFNCBRROKVLTR-SFHVURJKSA-N -1 3 387.455 3.720 20 10 GHCDHM CC(C)(C)OC(=O)NC[C@@]1(C)CCN(Cc2cccc(Br)c2[O-])C1 ZINC000802655443 922311517 /nfs/dbraw/zinc/31/15/17/922311517.db2.gz ZNBDZYKCECADHQ-GOSISDBHSA-N -1 3 399.329 3.891 20 10 GHCDHM O=C1NCCN(Cc2c3c(ccc2[O-])oc2c3CCCC2)[C@H]1c1ccccc1 ZINC000748795450 923833807 /nfs/dbraw/zinc/83/38/07/923833807.db2.gz QACZURAZANWGSL-QFIPXVFZSA-N -1 3 376.456 3.690 20 10 GHCDHM COc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc2)cc1 ZINC000780849736 930615543 /nfs/dbraw/zinc/61/55/43/930615543.db2.gz OBZYTSDOOSVKIS-UHFFFAOYSA-N -1 3 392.411 3.919 20 10 GHCDHM CCOC(=O)N=c1[nH]c2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc2s1 ZINC000780918089 930639216 /nfs/dbraw/zinc/63/92/16/930639216.db2.gz QAHMPZGXQXROIH-UHFFFAOYSA-N -1 3 387.417 3.837 20 10 GHCDHM Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)Cc3ccccc32)c([O-])c1O ZINC000780929282 930641995 /nfs/dbraw/zinc/64/19/95/930641995.db2.gz XALIRICMHBBSLL-UHFFFAOYSA-N -1 3 398.459 3.804 20 10 GHCDHM COC(=O)CN(Cc1c[nH]nc1-c1ccsc1)Cc1cc(Cl)ccc1[O-] ZINC000783562942 931583184 /nfs/dbraw/zinc/58/31/84/931583184.db2.gz MMRRTADAIYKFQV-UHFFFAOYSA-N -1 3 391.880 3.672 20 10 GHCDHM COc1ccc(N[C@H]2C[C@@H](C)c3c2c(O)ccc3C)cc1[N-]S(C)(=O)=O ZINC001116568181 933637903 /nfs/dbraw/zinc/63/79/03/933637903.db2.gz OORKBSBZWVCCBL-DOMZBBRYSA-N -1 3 376.478 3.741 20 10 GHCDHM [O-]c1cccc(F)c1CN1CCN(c2ccc(C(F)(F)F)c(Cl)n2)CC1 ZINC001137837430 935816570 /nfs/dbraw/zinc/81/65/70/935816570.db2.gz GQKSURQQFLSPGV-UHFFFAOYSA-N -1 3 389.780 3.921 20 10 GHCDHM CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2CN1Cc1c([O-])cccc1F ZINC001137841858 935818832 /nfs/dbraw/zinc/81/88/32/935818832.db2.gz XWFMDPYJRJDPQP-KRWDZBQOSA-N -1 3 386.467 3.983 20 10 GHCDHM Cc1nc(CN2CC[C@]3(CCCN3Cc3cccc(Cl)c3[O-])C2=O)cs1 ZINC001277232562 1032520775 /nfs/dbraw/zinc/52/07/75/1032520775.db2.gz UHJBBZDAXPOSKB-LJQANCHMSA-N -1 3 391.924 3.578 20 10 GHCDHM Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2c([O-])cccc2Cl)cs1 ZINC001140340147 1021448690 /nfs/dbraw/zinc/44/86/90/1021448690.db2.gz RTVMYUNJTBRXTE-QXAKKESOSA-N -1 3 394.924 3.759 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cc2cc3c(cc2[nH]1)OCO3 ZINC001156322143 1032985128 /nfs/dbraw/zinc/98/51/28/1032985128.db2.gz JTQLZVDIBGNJKK-UHFFFAOYSA-N -1 3 395.802 3.734 20 10 GHCDHM [O-]c1cc(F)cc(F)c1CN1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001140581338 1022001791 /nfs/dbraw/zinc/00/17/91/1022001791.db2.gz PAAOFBLVXLFOTP-FPOVZHCZSA-N -1 3 390.430 3.516 20 10 GHCDHM CN(CCNC(=O)OC(C)(C)C)Cc1cc(Cl)cc(Br)c1[O-] ZINC001141367814 1024740860 /nfs/dbraw/zinc/74/08/60/1024740860.db2.gz RMUDXUGNJMCETO-UHFFFAOYSA-N -1 3 393.709 3.765 20 10 GHCDHM [O-]c1c(Br)cc(Cl)cc1CN1CCC2(C[C@@H](F)CO2)CC1 ZINC001141374222 1024767862 /nfs/dbraw/zinc/76/78/62/1024767862.db2.gz CBKACUSQSRVBPL-GFCCVEGCSA-N -1 3 378.669 3.901 20 10 GHCDHM C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1Cc1c([O-])cccc1Br ZINC001140098514 1026875015 /nfs/dbraw/zinc/87/50/15/1026875015.db2.gz CJSLWSFKMURKGO-ZDUSSCGKSA-N -1 3 399.329 3.986 20 10 GHCDHM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])cccc2Br)C2(CC2)C1 ZINC001140100334 1026878269 /nfs/dbraw/zinc/87/82/69/1026878269.db2.gz LMRQCFOMGBYBGO-UHFFFAOYSA-N -1 3 397.313 3.740 20 10 GHCDHM CC(C)(C)OC(=O)N1CCCN(Cc2c([O-])cccc2Br)CC1 ZINC001140100349 1026878296 /nfs/dbraw/zinc/87/82/96/1026878296.db2.gz MBZHXMAUOOJVOD-UHFFFAOYSA-N -1 3 385.302 3.598 20 10 GHCDHM CC(C)OCc1ncn2c1CN(Cc1c([O-])cccc1Br)CCC2 ZINC001140100934 1026879257 /nfs/dbraw/zinc/87/92/57/1026879257.db2.gz HGXFYRVODINNIR-UHFFFAOYSA-N -1 3 394.313 3.682 20 10 GHCDHM C[C@H]1c2ncc(COc3cccnc3)n2CCN1Cc1cc(Cl)ccc1[O-] ZINC001203658733 1027513164 /nfs/dbraw/zinc/51/31/64/1027513164.db2.gz NAYUFMGURBAAKG-AWEZNQCLSA-N -1 3 384.867 3.793 20 10 GHCDHM COc1c([O-])c(CNc2ccc(C(=O)NC3CCCC3)cc2C)ccc1[N+](=O)[O-] ZINC000840952064 1027982981 /nfs/dbraw/zinc/98/29/81/1027982981.db2.gz IMKGZSOPPIYKBW-UHFFFAOYSA-N -1 3 399.447 3.902 20 10 GHCDHM Cn1c2ccc(-c3noc(-c4cccc(O)c4[O-])n3)cc2nc1C(F)(F)F ZINC001215145967 1029059109 /nfs/dbraw/zinc/05/91/09/1029059109.db2.gz UYUAXRVJBAEXQL-UHFFFAOYSA-N -1 3 376.294 3.720 20 10 GHCDHM [O-]c1c(O)cc(-c2nc(-c3cc(Cl)cc(Br)c3)no2)cc1O ZINC001215327766 1029156535 /nfs/dbraw/zinc/15/65/35/1029156535.db2.gz RUHNEXZEJQWLIL-UHFFFAOYSA-N -1 3 383.585 3.936 20 10 GHCDHM Nc1ccc2c(cccc2C(=O)NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001153810580 1031753912 /nfs/dbraw/zinc/75/39/12/1031753912.db2.gz KJLCNABXQATZRD-UHFFFAOYSA-N -1 3 378.819 3.654 20 10 GHCDHM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1Cc1c([O-])cccc1Br ZINC001205486919 1033437397 /nfs/dbraw/zinc/43/73/97/1033437397.db2.gz XTNKRVGNDIQQCB-BETUJISGSA-N -1 3 399.329 3.984 20 10 GHCDHM CCOC(=O)c1ncnc(Cl)c1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001157726200 1033741613 /nfs/dbraw/zinc/74/16/13/1033741613.db2.gz GWHOHHINIRICPA-UHFFFAOYSA-N -1 3 393.230 3.826 20 10 GHCDHM CC(C)(C)c1csc(CC2(O)CCN(Cc3cc(F)c(F)cc3[O-])CC2)n1 ZINC001207150120 1034128561 /nfs/dbraw/zinc/12/85/61/1034128561.db2.gz CKELQHKJSJIBTK-UHFFFAOYSA-N -1 3 396.503 3.994 20 10 GHCDHM O=C([O-])c1ccc(O)c(CN2CCN(c3ccnc4cc(Cl)ccc43)CC2)c1 ZINC001231564631 1034715760 /nfs/dbraw/zinc/71/57/60/1034715760.db2.gz UZPZZLVOZJZHCE-UHFFFAOYSA-N -1 3 397.862 3.614 20 10 GHCDHM Cn1cc(-c2ccc(C3CC[NH+](Cc4cc(C(=O)[O-])ccc4[O-])CC3)cc2)cn1 ZINC001231568622 1034717047 /nfs/dbraw/zinc/71/70/47/1034717047.db2.gz OEHLWCWHCFMQKC-UHFFFAOYSA-N -1 3 391.471 3.871 20 10 GHCDHM Cc1cc([O-])c(CN2Cc3cncn3C[C@H](COc3cccnc3)C2)cc1Cl ZINC001231867671 1034953927 /nfs/dbraw/zinc/95/39/27/1034953927.db2.gz PJJDICGYSOCIFC-MRXNPFEDSA-N -1 3 398.894 3.657 20 10 GHCDHM Cc1cc([O-])c(CN2Cc3ncn(C)c3[C@@H](COCC(C)C)C2)cc1Cl ZINC001231867661 1034954077 /nfs/dbraw/zinc/95/40/77/1034954077.db2.gz PHVXSWIRNLPNKM-MRXNPFEDSA-N -1 3 377.916 3.860 20 10 GHCDHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)c(C)n1-c1ccccc1C ZINC001161425530 1035228066 /nfs/dbraw/zinc/22/80/66/1035228066.db2.gz AZKLNVBVLLWQHH-UHFFFAOYSA-N -1 3 390.422 3.974 20 10 GHCDHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)c(C)n1-c1ccccc1C ZINC001161425530 1035228069 /nfs/dbraw/zinc/22/80/69/1035228069.db2.gz AZKLNVBVLLWQHH-UHFFFAOYSA-N -1 3 390.422 3.974 20 10 GHCDHM CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2c([O-])cccc2F)CC1 ZINC001161848316 1035314398 /nfs/dbraw/zinc/31/43/98/1035314398.db2.gz AKNJMLYGLBWOKN-UHFFFAOYSA-N -1 3 387.411 3.606 20 10 GHCDHM COc1cc([O-])c(CN2CCCCC(F)(F)C2)cc1I ZINC001248462083 1035886654 /nfs/dbraw/zinc/88/66/54/1035886654.db2.gz MNWYSCIMQQBVJS-UHFFFAOYSA-N -1 3 397.203 3.627 20 10 GHCDHM COc1ccc(CN2CC[C@@H](C)C[C@@H]2C)c([O-])c1I ZINC001248489987 1035910956 /nfs/dbraw/zinc/91/09/56/1035910956.db2.gz SSTYTAVLLMHRBM-MNOVXSKESA-N -1 3 375.250 3.626 20 10 GHCDHM CC(=O)N1CCC2(CC1)CN(Cc1cc(Cl)c(C(C)(C)C)cc1[O-])CCO2 ZINC001248882901 1036223017 /nfs/dbraw/zinc/22/30/17/1036223017.db2.gz OWIANHCYIWLEAT-UHFFFAOYSA-N -1 3 394.943 3.556 20 10 GHCDHM CCn1nnc2c1[C@@H](COC)CN(Cc1cc(Cl)c(C(C)(C)C)cc1[O-])C2 ZINC001248882827 1036223196 /nfs/dbraw/zinc/22/31/96/1036223196.db2.gz OGXHEENWQLWZPV-CQSZACIVSA-N -1 3 392.931 3.700 20 10 GHCDHM CCC[C@H]1CN(Cc2cc(Cl)c([O-])cc2O)CCN1C(=O)OC(C)(C)C ZINC001232263328 1037985046 /nfs/dbraw/zinc/98/50/46/1037985046.db2.gz MUBUAIMBZZYPFU-AWEZNQCLSA-N -1 3 384.904 3.973 20 10 GHCDHM CC(C)(C)OC(=O)N1CCCC2(CN(Cc3c([O-])ccc(F)c3F)C2)CC1 ZINC001233335686 1039138702 /nfs/dbraw/zinc/13/87/02/1039138702.db2.gz HBAGGZLUZVHPPD-UHFFFAOYSA-N -1 3 382.451 3.893 20 10 GHCDHM O=c1c2cc(O)c(O)cc2oc2cc([O-])cc(O[C@H](c3cccnc3)C3CC3)c12 ZINC001234750217 1040277508 /nfs/dbraw/zinc/27/75/08/1040277508.db2.gz APKJICKZDYDQSI-QFIPXVFZSA-N -1 3 391.379 3.988 20 10 GHCDHM CC1(C)C(=O)CCC[C@@H]1Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234754095 1040282639 /nfs/dbraw/zinc/28/26/39/1040282639.db2.gz UDVFBTJUWSNMAM-SFHVURJKSA-N -1 3 384.384 3.590 20 10 GHCDHM Cc1cccc(N2CCCN(Cc3cc(Br)cc(F)c3[O-])CC2)n1 ZINC001235067486 1040558498 /nfs/dbraw/zinc/55/84/98/1040558498.db2.gz UJUSGPNGWOEJJT-UHFFFAOYSA-N -1 3 394.288 3.710 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCN(c3ccc(F)cc3)CC2)c1 ZINC001236662226 1041809938 /nfs/dbraw/zinc/80/99/38/1041809938.db2.gz AOEFGBZFDBRJFF-UHFFFAOYSA-N -1 3 379.273 3.924 20 10 GHCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001236794708 1041899139 /nfs/dbraw/zinc/89/91/39/1041899139.db2.gz UGDAGUQUYHGRQL-STQMWFEESA-N -1 3 376.177 3.926 20 10 GHCDHM COc1cc([O-])c(CN2CCCn3cnc(Cn4cccc4)c3C2)c(Cl)c1 ZINC001236798571 1041902342 /nfs/dbraw/zinc/90/23/42/1041902342.db2.gz VPGHITKSMJWGHA-UHFFFAOYSA-N -1 3 386.883 3.506 20 10 GHCDHM COc1cc([O-])c(CN2CCCn3cnc(COC(C)C)c3C2)c(Cl)c1 ZINC001236798426 1041902561 /nfs/dbraw/zinc/90/25/61/1041902561.db2.gz GDYYUNKTVIPPGV-UHFFFAOYSA-N -1 3 379.888 3.582 20 10 GHCDHM Cc1cc([O-])c(CN2C[C@H](CO)CC[C@@H]2C(F)(F)F)cc1Br ZINC001237678126 1042319829 /nfs/dbraw/zinc/31/98/29/1042319829.db2.gz UIWRJAXPWJDKBM-QMTHXVAHSA-N -1 3 382.220 3.598 20 10 GHCDHM [O-]c1c(CN2CCC3(COC3)CC2)cc(Br)cc1C(F)(F)F ZINC001237784043 1042366980 /nfs/dbraw/zinc/36/69/80/1042366980.db2.gz ORWZJAKAJSUBDD-UHFFFAOYSA-N -1 3 380.204 3.786 20 10 GHCDHM [O-]c1c(Cl)cc(F)cc1CN1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001237800204 1042376805 /nfs/dbraw/zinc/37/68/05/1042376805.db2.gz MFLDSKXIGNEBRY-FUHWJXTLSA-N -1 3 394.849 3.661 20 10 GHCDHM CCOCCCn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@@H](C)C1 ZINC001263352875 1046736824 /nfs/dbraw/zinc/73/68/24/1046736824.db2.gz KPZBFNFCIZQJKZ-CYBMUJFWSA-N -1 3 387.509 3.533 20 10 GHCDHM Cn1c(CNCc2cc(Br)cc(F)c2[O-])nc2cc(F)ccc21 ZINC001308282684 1049936207 /nfs/dbraw/zinc/93/62/07/1049936207.db2.gz VQJXZBCBFBAOEY-UHFFFAOYSA-N -1 3 382.208 3.609 20 10 GHCDHM CCCNC(=O)OC[C@@H]1CCCCN1Cc1cc(C)cc(Br)c1[O-] ZINC001308747632 1050080370 /nfs/dbraw/zinc/08/03/70/1050080370.db2.gz CZSLXRHNSBZEIV-HNNXBMFYSA-N -1 3 399.329 3.954 20 10 GHCDHM CN(C)c1ccc(/C=C\CN2CCN(Cc3ccc([O-])c(Cl)c3)CC2)cc1 ZINC001308907241 1050156855 /nfs/dbraw/zinc/15/68/55/1050156855.db2.gz UHHCZZRFKXROIS-ARJAWSKDSA-N -1 3 385.939 3.943 20 10 GHCDHM COC[C@@H]1CCCN(c2nnc(-c3sc4ncccc4c3[O-])n2CC2CC2)C1 ZINC001345295727 1054976888 /nfs/dbraw/zinc/97/68/88/1054976888.db2.gz OJFWTXYJZZBKCB-CQSZACIVSA-N -1 3 399.520 3.533 20 10 GHCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(O)(Cc3ccccc3F)CC2)c1[O-] ZINC001322226432 1056581939 /nfs/dbraw/zinc/58/19/39/1056581939.db2.gz KORCHQNJLWYPRK-UHFFFAOYSA-N -1 3 394.830 3.663 20 10 GHCDHM CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)NCc2c([O-])cccc2F)CC1=O ZINC001456090553 1062478007 /nfs/dbraw/zinc/47/80/07/1062478007.db2.gz LYGWGNXVFAWVRJ-HUUCEWRRSA-N -1 3 384.451 3.714 20 10 GHCDHM COc1ccccc1SC[C@H](C)CNC(=O)NCc1c([O-])cccc1F ZINC001477831479 1078584042 /nfs/dbraw/zinc/58/40/42/1078584042.db2.gz RYTAQJUIOIPGQJ-CYBMUJFWSA-N -1 3 378.469 3.768 20 10 GHCDHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)c1ccc(F)c(Br)c1 ZINC001477872829 1078606281 /nfs/dbraw/zinc/60/62/81/1078606281.db2.gz GVPXGHFFSBTLCG-SECBINFHSA-N -1 3 385.208 3.993 20 10 GHCDHM CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccc2ccccc21 ZINC001471917680 1073258344 /nfs/dbraw/zinc/25/83/44/1073258344.db2.gz XGMOQBVKBXHICS-LJQANCHMSA-N -1 3 398.484 3.798 20 10 GHCDHM CCCNC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001474309600 1074334544 /nfs/dbraw/zinc/33/45/44/1074334544.db2.gz FHQVXFDEMDXTSN-NSHDSACASA-N -1 3 389.721 3.546 20 10 GHCDHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)n1 ZINC000737243728 598239543 /nfs/dbraw/zinc/23/95/43/598239543.db2.gz AZXSJDIQGWLNLF-UHFFFAOYSA-N -1 3 389.438 3.793 20 10 GHCDHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)n1 ZINC000737243728 598239544 /nfs/dbraw/zinc/23/95/44/598239544.db2.gz AZXSJDIQGWLNLF-UHFFFAOYSA-N -1 3 389.438 3.793 20 10 GHCDHM Cc1cc(C(=O)N(C)[C@@H](C)c2ccco2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227754 598610620 /nfs/dbraw/zinc/61/06/20/598610620.db2.gz QWZXGIRDLRYKDK-HNNXBMFYSA-N -1 3 390.447 3.700 20 10 GHCDHM Cc1cc(C(=O)N2[C@H](C)CCC[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737232894 598689279 /nfs/dbraw/zinc/68/92/79/598689279.db2.gz AAFXJGJAISOAJJ-ZIAGYGMSSA-N -1 3 378.480 3.677 20 10 GHCDHM CCCN(Cc1ccccc1O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736479255 599352579 /nfs/dbraw/zinc/35/25/79/599352579.db2.gz GCDXMJATSDJKGT-UHFFFAOYSA-N -1 3 386.843 3.670 20 10 GHCDHM CCCN(Cc1ccccc1O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736479255 599352581 /nfs/dbraw/zinc/35/25/81/599352581.db2.gz GCDXMJATSDJKGT-UHFFFAOYSA-N -1 3 386.843 3.670 20 10 GHCDHM C[C@H](C[N@H+](Cc1c([O-])ccc2cc(Br)ccc21)C1CC1)C(=O)[O-] ZINC000736585859 599935195 /nfs/dbraw/zinc/93/51/95/599935195.db2.gz XRNYVARNOSJIRG-LLVKDONJSA-N -1 3 378.266 3.993 20 10 GHCDHM C[C@H](C[N@@H+](Cc1c([O-])ccc2cc(Br)ccc21)C1CC1)C(=O)[O-] ZINC000736585859 599935197 /nfs/dbraw/zinc/93/51/97/599935197.db2.gz XRNYVARNOSJIRG-LLVKDONJSA-N -1 3 378.266 3.993 20 10 GHCDHM Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)cc3F)SC2=S)c1 ZINC000822309201 607462226 /nfs/dbraw/zinc/46/22/26/607462226.db2.gz PPSJCXLISQLFTR-DHDCSXOGSA-N -1 3 397.460 3.720 20 10 GHCDHM Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)cc3F)SC2=S)c1 ZINC000822309201 607462228 /nfs/dbraw/zinc/46/22/28/607462228.db2.gz PPSJCXLISQLFTR-DHDCSXOGSA-N -1 3 397.460 3.720 20 10 GHCDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2F)SC(=S)N1C1CCCCC1 ZINC000823504815 607462487 /nfs/dbraw/zinc/46/24/87/607462487.db2.gz UYNWSZGJBFIOEP-ZROIWOOFSA-N -1 3 389.481 3.540 20 10 GHCDHM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2F)SC(=S)N1C1CCCCC1 ZINC000823504815 607462489 /nfs/dbraw/zinc/46/24/89/607462489.db2.gz UYNWSZGJBFIOEP-ZROIWOOFSA-N -1 3 389.481 3.540 20 10 GHCDHM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)s3)SC2=S)cc1C ZINC000822241458 606394138 /nfs/dbraw/zinc/39/41/38/606394138.db2.gz XHSZIPADZCHTSJ-RIYZIHGNSA-N -1 3 399.526 3.951 20 10 GHCDHM CCN(CC(=O)Nc1cccc(OC)c1)Cc1cccc(Br)c1[O-] ZINC000160648840 840226210 /nfs/dbraw/zinc/22/62/10/840226210.db2.gz YPIPPZRVKCNOGC-UHFFFAOYSA-N -1 3 393.281 3.624 20 10 GHCDHM COc1c([O-])c(CNc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000278882547 843502362 /nfs/dbraw/zinc/50/23/62/843502362.db2.gz OJFQVVDLMKFZBT-OKILXGFUSA-N -1 3 387.436 3.535 20 10 GHCDHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000729491958 854429521 /nfs/dbraw/zinc/42/95/21/854429521.db2.gz LIMROMXZLAMJOZ-UHFFFAOYSA-N -1 3 393.443 3.643 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000922394082 859896369 /nfs/dbraw/zinc/89/63/69/859896369.db2.gz UODHYUGUXDLDKH-INIZCTEOSA-N -1 3 394.244 3.639 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cccnc1C(F)F ZINC000897076312 864424057 /nfs/dbraw/zinc/42/40/57/864424057.db2.gz YPHOWVHXECDQJQ-CQSZACIVSA-N -1 3 395.837 3.773 20 10 GHCDHM O=C1NCCN(Cc2c3c(ccc2[O-])oc2c3CCCC2)[C@H]1c1cccs1 ZINC000743383423 868138515 /nfs/dbraw/zinc/13/85/15/868138515.db2.gz PQLYMPCFFTXSDH-FQEVSTJZSA-N -1 3 382.485 3.752 20 10 GHCDHM O=C(OCCF)N1CCc2c(Cl)c([O-])c(O)cc2[C@@H](c2ccc(O)cc2)C1 ZINC001194957547 872054180 /nfs/dbraw/zinc/05/41/80/872054180.db2.gz AEKWYORERBJDHK-OAHLLOKOSA-N -1 3 395.814 3.553 20 10 GHCDHM CCN(Cc1nc(CC(F)(F)F)no1)Cc1cc(Br)ccc1[O-] ZINC000743870866 873646337 /nfs/dbraw/zinc/64/63/37/873646337.db2.gz FDDBUCPWOHMVJM-UHFFFAOYSA-N -1 3 394.191 3.665 20 10 GHCDHM CCCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H](C)c1ccc(C)o1 ZINC000769737657 874276178 /nfs/dbraw/zinc/27/61/78/874276178.db2.gz FIQVUVBNDZABIT-CQSZACIVSA-N -1 3 394.493 3.669 20 10 GHCDHM CCOCCOc1c(Cl)cccc1NC(=O)NCc1c([O-])cccc1F ZINC001199341149 874912110 /nfs/dbraw/zinc/91/21/10/874912110.db2.gz GOOCXOIIJSMBAD-UHFFFAOYSA-N -1 3 382.819 3.922 20 10 GHCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccc(F)c(F)c1F ZINC000771060587 875015553 /nfs/dbraw/zinc/01/55/53/875015553.db2.gz XHKCHIWXAUWREO-ZDUSSCGKSA-N -1 3 398.812 3.857 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2cc(N3CCNC3=O)ccc2C)c1 ZINC000785549436 876102971 /nfs/dbraw/zinc/10/29/71/876102971.db2.gz FLUHSSRKSOQKFY-UHFFFAOYSA-N -1 3 390.281 3.913 20 10 GHCDHM O=C(NCc1ccc(N2CCCC2)cc1)c1cc([O-])cc(Br)c1 ZINC000858451812 883107609 /nfs/dbraw/zinc/10/76/09/883107609.db2.gz CSRGJFFQOMGMNQ-UHFFFAOYSA-N -1 3 375.266 3.685 20 10 GHCDHM CC(=O)Nc1cccc2c1CCN(Cc1cccc(Br)c1[O-])C2 ZINC000179531132 877686136 /nfs/dbraw/zinc/68/61/36/877686136.db2.gz WISSJRIDNUXIPE-UHFFFAOYSA-N -1 3 375.266 3.671 20 10 GHCDHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCCSc1nccs1 ZINC000760575508 877911837 /nfs/dbraw/zinc/91/18/37/877911837.db2.gz ROBMIFNWNKWCIN-UHFFFAOYSA-N -1 3 386.495 3.798 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H]2CCc3ccccc3-n3ccnc32)c1 ZINC000853240910 878924875 /nfs/dbraw/zinc/92/48/75/878924875.db2.gz JNFIDFBOJJLJGF-KDOFPFPSSA-N -1 3 377.444 3.703 20 10 GHCDHM O=C(NC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1)c1ccc(F)cc1 ZINC000792162091 880930544 /nfs/dbraw/zinc/93/05/44/880930544.db2.gz CBRDJLUMPWFGTF-UHFFFAOYSA-N -1 3 380.822 3.718 20 10 GHCDHM CC(=O)c1cc(F)cc(CN(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1[O-] ZINC000805768414 884101443 /nfs/dbraw/zinc/10/14/43/884101443.db2.gz IWGJZMBWZIXAIQ-WMLDXEAASA-N -1 3 375.465 3.735 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000193003508 884319944 /nfs/dbraw/zinc/31/99/44/884319944.db2.gz KRZRFNMKHNWJEW-ZDUSSCGKSA-N -1 3 399.834 3.821 20 10 GHCDHM CC(=O)c1cc(CN(C)Cc2cc(C)ccc2C)c([O-])c(CN2CCOCC2)c1 ZINC000762050981 885286749 /nfs/dbraw/zinc/28/67/49/885286749.db2.gz ZTPWOZHHEMOEGP-UHFFFAOYSA-N -1 3 396.531 3.676 20 10 GHCDHM CCCc1nc(C)c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)o1 ZINC000815835571 894246244 /nfs/dbraw/zinc/24/62/44/894246244.db2.gz XWUDZJVRKAPCOY-MRXNPFEDSA-N -1 3 391.899 3.689 20 10 GHCDHM O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816499088 894879390 /nfs/dbraw/zinc/87/93/90/894879390.db2.gz DVIDIJRXCVKRRM-CQSZACIVSA-N -1 3 381.810 3.720 20 10 GHCDHM C[C@@H]1CN(c2ccc(CNCc3c(F)ccc([O-])c3F)cc2F)C[C@@H](C)O1 ZINC000816535984 894905645 /nfs/dbraw/zinc/90/56/45/894905645.db2.gz ILDBIGMMMMHIRI-CHWSQXEVSA-N -1 3 380.410 3.713 20 10 GHCDHM CC(=O)N1CCCC[C@]12CCCN(Cc1cc(Br)c(F)cc1[O-])C2 ZINC001144300040 901650905 /nfs/dbraw/zinc/65/09/05/901650905.db2.gz PIYBMJARAWDTIX-GOSISDBHSA-N -1 3 399.304 3.661 20 10 GHCDHM CCOC(=O)C1(CC)CCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144307926 901699482 /nfs/dbraw/zinc/69/94/82/901699482.db2.gz LVMYWFHGFNBXKJ-UHFFFAOYSA-N -1 3 388.277 3.849 20 10 GHCDHM Cc1ccc(O[C@@H]2CCN(Cc3cc(Br)c(F)cc3[O-])C2)nc1 ZINC001144307948 901701183 /nfs/dbraw/zinc/70/11/83/901701183.db2.gz MPPASYKAKTXBFI-CYBMUJFWSA-N -1 3 381.245 3.651 20 10 GHCDHM CCOC(=O)C[C@H]1CCN(Cc2cc(Br)c(F)cc2[O-])C[C@H]1C ZINC001144308720 901704996 /nfs/dbraw/zinc/70/49/96/901704996.db2.gz UTVTYOHXCMSECD-VXGBXAGGSA-N -1 3 388.277 3.705 20 10 GHCDHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(N3CCC(C)CC3)cc2)cc1F ZINC001186704805 914737355 /nfs/dbraw/zinc/73/73/55/914737355.db2.gz DBYVXCYUVSCDLI-UHFFFAOYSA-N -1 3 394.487 3.988 20 10 GHCDHM O=C(NCC1(c2ccc(C(F)(F)F)cc2)CCOCC1)c1cccc(O)c1[O-] ZINC001148224512 904011267 /nfs/dbraw/zinc/01/12/67/904011267.db2.gz ODNGAKWDMSPOFZ-UHFFFAOYSA-N -1 3 395.377 3.595 20 10 GHCDHM Nc1ccc(NC(=O)Nc2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cc2)cc1 ZINC001175432663 907551958 /nfs/dbraw/zinc/55/19/58/907551958.db2.gz SFCGQSRNNTYHKR-UHFFFAOYSA-N -1 3 386.419 3.837 20 10 GHCDHM C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccc(N(C)C)cc1 ZINC000773609509 908379986 /nfs/dbraw/zinc/37/99/86/908379986.db2.gz AHPAMDVJQJIQGG-LBPRGKRZSA-N -1 3 392.297 3.781 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])C(=O)c1ccc(Cl)cc1 ZINC001182898615 912126257 /nfs/dbraw/zinc/12/62/57/912126257.db2.gz RTWVHRNPPIXEMJ-UHFFFAOYSA-N -1 3 375.211 3.746 20 10 GHCDHM CCc1c(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cnn1-c1cccc(C)c1 ZINC000775115930 915193372 /nfs/dbraw/zinc/19/33/72/915193372.db2.gz PJBOONRNFZKSRI-UHFFFAOYSA-N -1 3 382.420 3.978 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1c[nH]nc1-c1ccccc1 ZINC001189697510 916839518 /nfs/dbraw/zinc/83/95/18/916839518.db2.gz CYDRYUIYODHDEH-UHFFFAOYSA-N -1 3 378.819 3.914 20 10 GHCDHM Cc1nc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c(Br)o1 ZINC001191635815 918086814 /nfs/dbraw/zinc/08/68/14/918086814.db2.gz HNGMXMYAPQIYSJ-UHFFFAOYSA-N -1 3 396.628 3.583 20 10 GHCDHM Cc1oc(C(C)C)nc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000802782640 922399354 /nfs/dbraw/zinc/39/93/54/922399354.db2.gz ZWZNCLODMCSBDE-INIZCTEOSA-N -1 3 391.899 3.860 20 10 GHCDHM Cc1oc(C(C)C)nc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000802782641 922399638 /nfs/dbraw/zinc/39/96/38/922399638.db2.gz ZWZNCLODMCSBDE-MRXNPFEDSA-N -1 3 391.899 3.860 20 10 GHCDHM CC[C@H]([NH2+][C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000903397477 922986104 /nfs/dbraw/zinc/98/61/04/922986104.db2.gz FIQYVEDKEGOLMT-FZMZJTMJSA-N -1 3 383.279 3.514 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cccc(C(=O)N3CCCC3)c2C)c1 ZINC000757602112 929739857 /nfs/dbraw/zinc/73/98/57/929739857.db2.gz AYQGUZVOPYCAJC-HNNXBMFYSA-N -1 3 382.460 3.896 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c([O-])c1O ZINC000780864269 930620858 /nfs/dbraw/zinc/62/08/58/930620858.db2.gz YCSCGCORXNBZAI-UHFFFAOYSA-N -1 3 376.412 3.589 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCCN(CC(F)(F)F)CC2)c1 ZINC000781897188 931016442 /nfs/dbraw/zinc/01/64/42/931016442.db2.gz PONYZGDLSPEFRC-UHFFFAOYSA-N -1 3 381.236 3.533 20 10 GHCDHM COc1c([O-])c(CNc2ccc(C(=O)N3CCCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000798083394 932521950 /nfs/dbraw/zinc/52/19/50/932521950.db2.gz VLTBZYNTFNUJGZ-UHFFFAOYSA-N -1 3 399.447 3.937 20 10 GHCDHM COC(=O)CN(CC/C=C/c1cncc(OC)c1)Cc1cc(Cl)ccc1[O-] ZINC000828062934 935571648 /nfs/dbraw/zinc/57/16/48/935571648.db2.gz VNCYOUPGYUPPNX-HWKANZROSA-N -1 3 390.867 3.528 20 10 GHCDHM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)c(C)c(C)c1O ZINC000829915216 935882012 /nfs/dbraw/zinc/88/20/12/935882012.db2.gz CSIODPUGIHVBMK-UHFFFAOYSA-N -1 3 376.478 3.713 20 10 GHCDHM CC[C@](C[NH2+]Cc1cc(Br)cc(C)c1[O-])(C(=O)[O-])c1ccccc1 ZINC001595167501 979721696 /nfs/dbraw/zinc/72/16/96/979721696.db2.gz SDELOBQDZPJRBJ-LJQANCHMSA-N -1 3 392.293 3.985 20 10 GHCDHM CN(C)c1ccc(/C=C\CN(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1 ZINC001598314246 991295109 /nfs/dbraw/zinc/29/51/09/991295109.db2.gz JXEUECVLAQJLCK-PHWHVTFISA-N -1 3 378.394 3.941 20 10 GHCDHM COc1ccc([C@H](NCc2ccc(N3CCCCC3)c(C)c2)C(=O)[O-])cc1O ZINC001599532847 997688874 /nfs/dbraw/zinc/68/88/74/997688874.db2.gz UOIBYPTVRBPCQZ-NRFANRHFSA-N -1 3 384.476 3.615 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cccc2ncc(O)cc21 ZINC001155053174 1032396645 /nfs/dbraw/zinc/39/66/45/1032396645.db2.gz XZROTBWHWWHJDV-UHFFFAOYSA-N -1 3 379.803 3.778 20 10 GHCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001227937882 1032705560 /nfs/dbraw/zinc/70/55/60/1032705560.db2.gz OISCTVRVUWXEAP-QGZVFWFLSA-N -1 3 391.379 3.783 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)C1CCN(c2nc3ccccc3s2)CC1 ZINC000928710304 1017556121 /nfs/dbraw/zinc/55/61/21/1017556121.db2.gz ARGBJHRXICGRRG-UHFFFAOYSA-N -1 3 385.464 3.674 20 10 GHCDHM CC(=O)c1cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c2ccccn12 ZINC001156132732 1032893950 /nfs/dbraw/zinc/89/39/50/1032893950.db2.gz STXLBHCZPRKLHN-UHFFFAOYSA-N -1 3 393.830 3.979 20 10 GHCDHM [O-]c1cnccc1CN1CCN(c2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC001140280037 1021306908 /nfs/dbraw/zinc/30/69/08/1021306908.db2.gz ZWYGTZNDTRLATM-UHFFFAOYSA-N -1 3 386.455 3.918 20 10 GHCDHM CCn1ncc2c1CN(Cc1ccc(Cl)cc1[O-])C[C@@H]2COc1cccnc1 ZINC001140467379 1021762856 /nfs/dbraw/zinc/76/28/56/1021762856.db2.gz OWBSYYJOSCELIU-MRXNPFEDSA-N -1 3 398.894 3.835 20 10 GHCDHM [O-]c1cc(F)cc(F)c1CN1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001140581342 1022002148 /nfs/dbraw/zinc/00/21/48/1022002148.db2.gz PAAOFBLVXLFOTP-TZIWHRDSSA-N -1 3 390.430 3.516 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cc(OC)ccc2Br)c1 ZINC000756489080 1023682426 /nfs/dbraw/zinc/68/24/26/1023682426.db2.gz FQQAJDVLCVOUAR-LLVKDONJSA-N -1 3 394.265 3.801 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(OC)c(N3CCCCC3=O)c2)c1 ZINC000756817845 1023826179 /nfs/dbraw/zinc/82/61/79/1023826179.db2.gz CVFFOBQHGLOFIC-CQSZACIVSA-N -1 3 398.459 3.877 20 10 GHCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCN(c2c(C)cccc2C)CC1 ZINC001139133731 1025946676 /nfs/dbraw/zinc/94/66/76/1025946676.db2.gz NOPTXRZGDFSKPX-UHFFFAOYSA-N -1 3 378.472 3.746 20 10 GHCDHM C[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1c([O-])cccc1Br ZINC001140100315 1026878180 /nfs/dbraw/zinc/87/81/80/1026878180.db2.gz KSRKZRYKJUFBOD-LBPRGKRZSA-N -1 3 385.302 3.596 20 10 GHCDHM [O-]c1c(F)cc(F)cc1CNc1nc2ccccc2n1CCCn1ccnc1 ZINC001203517077 1027396048 /nfs/dbraw/zinc/39/60/48/1027396048.db2.gz KRHDNPNTXMOEAP-UHFFFAOYSA-N -1 3 383.402 3.919 20 10 GHCDHM CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCCN2Cc1cc(Br)ccc1[O-] ZINC001203639717 1027498096 /nfs/dbraw/zinc/49/80/96/1027498096.db2.gz IRVLPVIBPOUTDT-CABCVRRESA-N -1 3 397.313 3.738 20 10 GHCDHM CS(=O)(=O)c1cccc([C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC001203664411 1027517066 /nfs/dbraw/zinc/51/70/66/1027517066.db2.gz DNBJEJSRUIADAL-OAHLLOKOSA-N -1 3 379.909 3.829 20 10 GHCDHM Cc1cc([O-])c(CN2CCN(c3nnc(C(F)(F)F)s3)CC2)c(Cl)c1 ZINC000840939573 1027972887 /nfs/dbraw/zinc/97/28/87/1027972887.db2.gz ZGBREDPEOYBFKO-UHFFFAOYSA-N -1 3 392.834 3.547 20 10 GHCDHM [O-]c1cc(F)c(F)cc1CN1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 ZINC001142517400 1029021719 /nfs/dbraw/zinc/02/17/19/1029021719.db2.gz LZARBUXDAFTCBP-LJQANCHMSA-N -1 3 395.400 3.803 20 10 GHCDHM CCc1cc(Br)ccc1-c1noc(-c2ccc(O)c(O)c2[O-])n1 ZINC001215325565 1029154688 /nfs/dbraw/zinc/15/46/88/1029154688.db2.gz ZNYAVVANYUPFLE-UHFFFAOYSA-N -1 3 377.194 3.845 20 10 GHCDHM Cc1ccc(-c2noc([C@@H](C)NC(=O)NCc3c([O-])cccc3F)n2)cc1F ZINC001223899225 1030799861 /nfs/dbraw/zinc/79/98/61/1030799861.db2.gz OCMVQQUGBNZEBA-LLVKDONJSA-N -1 3 388.374 3.589 20 10 GHCDHM [O-]c1c(F)cc(F)cc1CNCc1ccn(-c2ccc(Br)cc2)n1 ZINC001461759561 1069730016 /nfs/dbraw/zinc/73/00/16/1069730016.db2.gz HSEVDFRXEMPUCL-UHFFFAOYSA-N -1 3 394.219 3.908 20 10 GHCDHM COc1ccc(N2CCN(Cc3cc(Cl)c(C)cc3[O-])CC2)c(OC)c1 ZINC001231872452 1034958506 /nfs/dbraw/zinc/95/85/06/1034958506.db2.gz ZLLCAYYYYYQPCX-UHFFFAOYSA-N -1 3 376.884 3.693 20 10 GHCDHM CCN(CC)c1ccnc([C@@H]2COCCN2Cc2ccc3ccccc3c2[O-])n1 ZINC001231882244 1034965884 /nfs/dbraw/zinc/96/58/84/1034965884.db2.gz OCVHMOIEOYZSGY-FQEVSTJZSA-N -1 3 392.503 3.755 20 10 GHCDHM COc1ccc(CN2C3CCCC2CCC3)c([O-])c1I ZINC001248498717 1035916539 /nfs/dbraw/zinc/91/65/39/1035916539.db2.gz MENFBUOOFWLGCQ-UHFFFAOYSA-N -1 3 387.261 3.912 20 10 GHCDHM COc1cc([O-])c(CN2CCCn3cnc(COCC4CC4)c3C2)cc1Cl ZINC001232265817 1037986256 /nfs/dbraw/zinc/98/62/56/1037986256.db2.gz QXJNLVURZRTEAW-UHFFFAOYSA-N -1 3 391.899 3.583 20 10 GHCDHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233332497 1039131596 /nfs/dbraw/zinc/13/15/96/1039131596.db2.gz MWUOBOXWZHAABE-FQEVSTJZSA-N -1 3 382.451 3.893 20 10 GHCDHM [O-]c1c(CN2CCN(c3nc4ccccc4o3)CC2)cccc1C(F)(F)F ZINC001233417843 1039277787 /nfs/dbraw/zinc/27/77/87/1039277787.db2.gz KNWMSWYGLCUTNQ-UHFFFAOYSA-N -1 3 377.366 3.874 20 10 GHCDHM COc1cccc(CN2CCN(Cc3cccc(C(F)(F)F)c3[O-])CC2)c1 ZINC001233418466 1039279616 /nfs/dbraw/zinc/27/96/16/1039279616.db2.gz IDYRYQRSPRRYSB-UHFFFAOYSA-N -1 3 380.410 3.737 20 10 GHCDHM O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1)c1ccccc1F ZINC001233419683 1039282693 /nfs/dbraw/zinc/28/26/93/1039282693.db2.gz INPHJDLHQYINDH-UHFFFAOYSA-N -1 3 396.384 3.945 20 10 GHCDHM COC(=O)[C@H]1[C@@H](c2ccccc2)OCCN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233456132 1039348941 /nfs/dbraw/zinc/34/89/41/1039348941.db2.gz MIAINZRSBABVJL-QZTJIDSGSA-N -1 3 395.377 3.526 20 10 GHCDHM CN(Cc1ccc2c(c1)OCCO2)Cc1cc(Br)cc(F)c1[O-] ZINC001235056694 1040546563 /nfs/dbraw/zinc/54/65/63/1040546563.db2.gz BZUSTZDMRPPEER-UHFFFAOYSA-N -1 3 382.229 3.697 20 10 GHCDHM CC(C)N1CC2(CC1=O)CCN(Cc1cc(Br)cc(F)c1[O-])CC2 ZINC001235076205 1040564817 /nfs/dbraw/zinc/56/48/17/1040564817.db2.gz TZVMGDQOLULRKQ-UHFFFAOYSA-N -1 3 399.304 3.517 20 10 GHCDHM Cc1ccc(C)c(S(=O)(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001254819808 1040574840 /nfs/dbraw/zinc/57/48/40/1040574840.db2.gz AUXBSCCBUKYFPH-UHFFFAOYSA-N -1 3 376.865 3.689 20 10 GHCDHM Cc1cnccc1O[C@@H]1CCN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235308011 1040781489 /nfs/dbraw/zinc/78/14/89/1040781489.db2.gz NDDQVRBCOHBWPC-CQSZACIVSA-N -1 3 381.245 3.651 20 10 GHCDHM [O-]c1cc(F)cc(F)c1CN1CCN[C@@H](c2cccc(Br)c2)C1 ZINC001235790596 1041284320 /nfs/dbraw/zinc/28/43/20/1041284320.db2.gz IAKPMHMUVOBCAD-MRXNPFEDSA-N -1 3 383.236 3.579 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@H](Oc3cc(C)ncn3)C2)c1 ZINC001236669434 1041817648 /nfs/dbraw/zinc/81/76/48/1041817648.db2.gz JKPYRUIVRNCVKW-HNNXBMFYSA-N -1 3 392.297 3.605 20 10 GHCDHM [O-]c1cc(Cl)c(Cl)cc1CN1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001236792850 1041898351 /nfs/dbraw/zinc/89/83/51/1041898351.db2.gz IMALBOWKOQESJP-KUHUBIRLSA-N -1 3 395.286 3.621 20 10 GHCDHM COc1ccc(CN2CCC(NC(=O)Nc3ccccc3)CC2)c([O-])c1Cl ZINC001236806582 1041907370 /nfs/dbraw/zinc/90/73/70/1041907370.db2.gz CRWLMSHCQVKPKC-UHFFFAOYSA-N -1 3 389.883 3.840 20 10 GHCDHM COc1ccc(CN2C[C@H]3CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c([O-])c1Cl ZINC001236806835 1041908063 /nfs/dbraw/zinc/90/80/63/1041908063.db2.gz JRKQHTFXLCYVLS-HIFRSBDPSA-N -1 3 396.915 3.886 20 10 GHCDHM COc1ccc(CN2CCC[C@@H](N3Cc4ccccc4C3=O)C2)c([O-])c1Cl ZINC001236809383 1041909834 /nfs/dbraw/zinc/90/98/34/1041909834.db2.gz LLTNEDLLNBFAKS-MRXNPFEDSA-N -1 3 386.879 3.675 20 10 GHCDHM COc1cc([O-])c(CN2CCCC[C@@H]2c2noc(C)n2)c(Br)c1 ZINC001237072533 1042022684 /nfs/dbraw/zinc/02/26/84/1042022684.db2.gz IGTZRDNHEZVLCI-CQSZACIVSA-N -1 3 382.258 3.582 20 10 GHCDHM NC(=O)c1ccc(OC2CCN(Cc3c([O-])ccc(Cl)c3Cl)CC2)cc1 ZINC001237084971 1042028371 /nfs/dbraw/zinc/02/83/71/1042028371.db2.gz RAXRASQXKGYLCQ-UHFFFAOYSA-N -1 3 395.286 3.841 20 10 GHCDHM CN(Cc1ccco1)[C@@H]1CN(Cc2c([O-])ccc(F)c2Cl)[C@@H]2CCCO[C@H]12 ZINC001237126038 1042054484 /nfs/dbraw/zinc/05/44/84/1042054484.db2.gz ZKADAYYSESXVFE-HLIPFELVSA-N -1 3 394.874 3.642 20 10 GHCDHM COc1ccccc1C(=O)NC1CCN(Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237128251 1042054998 /nfs/dbraw/zinc/05/49/98/1042054998.db2.gz NTWMZUFRHQENSB-UHFFFAOYSA-N -1 3 392.858 3.588 20 10 GHCDHM O=c1oc2ccccc2n1C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237621171 1042288459 /nfs/dbraw/zinc/28/84/59/1042288459.db2.gz WDNOKHWVOXMKFD-UHFFFAOYSA-N -1 3 376.815 3.930 20 10 GHCDHM CN(Cc1ccc(Cl)nc1)Cc1cccc(I)c1[O-] ZINC001237782437 1042366593 /nfs/dbraw/zinc/36/65/93/1042366593.db2.gz DMGKSAUICGXWOS-UHFFFAOYSA-N -1 3 388.636 3.677 20 10 GHCDHM Cc1cccc([O-])c1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001294161747 1044504083 /nfs/dbraw/zinc/50/40/83/1044504083.db2.gz UCSXVRYLMMPTRF-AWEZNQCLSA-N -1 3 376.403 3.701 20 10 GHCDHM Cc1cc(C)cc(-n2ccnc2SCC(=O)NCc2c([O-])cccc2F)c1 ZINC001303878154 1047526581 /nfs/dbraw/zinc/52/65/81/1047526581.db2.gz LXHXJPCMQPWBLC-UHFFFAOYSA-N -1 3 385.464 3.742 20 10 GHCDHM [O-]c1c(CN2CC3(CN(CCCC(F)(F)F)C3)C2)cccc1C(F)(F)F ZINC001279506223 1047828517 /nfs/dbraw/zinc/82/85/17/1047828517.db2.gz VSIWIARHBYJQNB-UHFFFAOYSA-N -1 3 382.348 3.871 20 10 GHCDHM CCn1ccnc1CN1C[C@H]2C[C@@H](C1)N(Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001279665267 1047905044 /nfs/dbraw/zinc/90/50/44/1047905044.db2.gz KJZNCNMHIDALFN-HIFRSBDPSA-N -1 3 395.334 3.622 20 10 GHCDHM O=c1cccc(CN2C[C@H]3CC[C@@H](C2)N3Cc2cc(Cl)c(Cl)cc2[O-])[nH]1 ZINC001279665532 1047905837 /nfs/dbraw/zinc/90/58/37/1047905837.db2.gz QECATMIOQAXZFR-GASCZTMLSA-N -1 3 394.302 3.648 20 10 GHCDHM CC(C)NC(=O)N1CCC12CN(Cc1cc(Cl)c(C(C)(C)C)cc1[O-])C2 ZINC001279941040 1047995949 /nfs/dbraw/zinc/99/59/49/1047995949.db2.gz RPESIQHWHURRND-UHFFFAOYSA-N -1 3 379.932 3.721 20 10 GHCDHM Cc1cc(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)c(C)n1-c1ccccc1C ZINC001450904349 1060713284 /nfs/dbraw/zinc/71/32/84/1060713284.db2.gz YYFLMZFNAADOFR-UHFFFAOYSA-N -1 3 386.459 3.759 20 10 GHCDHM Cc1cc(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)c(C)n1-c1ccccc1C ZINC001450904349 1060713300 /nfs/dbraw/zinc/71/33/00/1060713300.db2.gz YYFLMZFNAADOFR-UHFFFAOYSA-N -1 3 386.459 3.759 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)c1cc(-c2ccc(OC(F)(F)F)cc2)n[nH]1 ZINC001456031062 1062420239 /nfs/dbraw/zinc/42/02/39/1062420239.db2.gz WLPNMDRGCWHWAY-UHFFFAOYSA-N -1 3 395.312 3.750 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@@](C)(OC)CC1 ZINC001357517694 1067142327 /nfs/dbraw/zinc/14/23/27/1067142327.db2.gz QBZIBFONGOVKFM-LJQANCHMSA-N -1 3 387.509 3.676 20 10 GHCDHM Cc1cc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c(C)n1-c1cccc(C(C)C)c1 ZINC001469718378 1068336319 /nfs/dbraw/zinc/33/63/19/1068336319.db2.gz AJMPPHJVRMABMF-UHFFFAOYSA-N -1 3 396.516 3.932 20 10 GHCDHM Cc1ccc(C(=O)NC2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)cc1 ZINC001474654811 1074501774 /nfs/dbraw/zinc/50/17/74/1074501774.db2.gz ODDIFDSCEDOKQW-UHFFFAOYSA-N -1 3 376.859 3.888 20 10 GHCDHM CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccc(Br)cc2[O-])CC1(C)C ZINC001474707528 1074527506 /nfs/dbraw/zinc/52/75/06/1074527506.db2.gz ZALWQRYJEYXVER-HNNXBMFYSA-N -1 3 399.329 3.890 20 10 GHCDHM CN(Cc1ccc([S@](C)=O)cc1)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000830839632 601400505 /nfs/dbraw/zinc/40/05/05/601400505.db2.gz CZKVNPLKOZMOLT-MHZLTWQESA-N -1 3 383.469 3.613 20 10 GHCDHM C[C@@H]1CCCC[C@@H]1N1C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)SC1=S ZINC000820703573 606335493 /nfs/dbraw/zinc/33/54/93/606335493.db2.gz HXZVZEUBMDEUGA-NRBNXJQPSA-N -1 3 391.547 3.708 20 10 GHCDHM C[C@@H]1CCCC[C@@H]1N1C(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)SC1=S ZINC000820703573 606335496 /nfs/dbraw/zinc/33/54/96/606335496.db2.gz HXZVZEUBMDEUGA-NRBNXJQPSA-N -1 3 391.547 3.708 20 10 GHCDHM Fc1cc(Cl)c(NNC(=S)Nc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826371944 608475986 /nfs/dbraw/zinc/47/59/86/608475986.db2.gz AFFYOLRVHSODAH-UHFFFAOYSA-N -1 3 398.254 3.626 20 10 GHCDHM Fc1cc(Cl)c(NNC(=S)Nc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826371944 608475988 /nfs/dbraw/zinc/47/59/88/608475988.db2.gz AFFYOLRVHSODAH-UHFFFAOYSA-N -1 3 398.254 3.626 20 10 GHCDHM CCS[C@@H](C)c1noc(CN(C)Cc2cc(Br)ccc2[O-])n1 ZINC000180738087 837510122 /nfs/dbraw/zinc/51/01/22/837510122.db2.gz QQJIKTCSGIBHDV-JTQLQIEISA-N -1 3 386.315 3.984 20 10 GHCDHM COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c([O-])c1 ZINC000728839797 842758396 /nfs/dbraw/zinc/75/83/96/842758396.db2.gz PEXPTWVLNUZFRU-UHFFFAOYSA-N -1 3 382.382 3.672 20 10 GHCDHM CC(C)CO[C@H](C)c1noc(CN(C)Cc2cc(Br)ccc2[O-])n1 ZINC000093885553 842850814 /nfs/dbraw/zinc/85/08/14/842850814.db2.gz KTWMCDRUTYVEDH-GFCCVEGCSA-N -1 3 398.301 3.903 20 10 GHCDHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)ccc1F ZINC000123909869 849225898 /nfs/dbraw/zinc/22/58/98/849225898.db2.gz BXNGHYRNEDHEMV-UHFFFAOYSA-N -1 3 380.441 3.722 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)c1[O-] ZINC001168603454 854673504 /nfs/dbraw/zinc/67/35/04/854673504.db2.gz GEBMKOPQDCIBLV-CHWSQXEVSA-N -1 3 380.460 3.564 20 10 GHCDHM CCN(CC(=O)Nc1ccc(F)cc1F)Cc1cc(Br)ccc1[O-] ZINC000744425648 868829292 /nfs/dbraw/zinc/82/92/92/868829292.db2.gz HTLLFDPIVWERAR-UHFFFAOYSA-N -1 3 399.235 3.894 20 10 GHCDHM CCOC(=O)c1ncc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)[n-]1 ZINC000793960581 882500931 /nfs/dbraw/zinc/50/09/31/882500931.db2.gz SRCLEKBKFYMLOP-UHFFFAOYSA-N -1 3 386.839 3.900 20 10 GHCDHM CCOC(=O)c1nc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)c[n-]1 ZINC000793960581 882500938 /nfs/dbraw/zinc/50/09/38/882500938.db2.gz SRCLEKBKFYMLOP-UHFFFAOYSA-N -1 3 386.839 3.900 20 10 GHCDHM C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000768818788 873603419 /nfs/dbraw/zinc/60/34/19/873603419.db2.gz XWOOXOXOMCDIHZ-HNNXBMFYSA-N -1 3 398.894 3.974 20 10 GHCDHM CC(C)(C)OC(=O)NC[C@@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000769119485 873821164 /nfs/dbraw/zinc/82/11/64/873821164.db2.gz AHYTZPNDYPORRJ-LBPRGKRZSA-N -1 3 399.875 3.691 20 10 GHCDHM O=S(=O)(Cc1ccc(Cl)c(F)c1)Nc1ccc([O-])c(Br)c1 ZINC001197673291 873961882 /nfs/dbraw/zinc/96/18/82/873961882.db2.gz QILQTIVDVFAREU-UHFFFAOYSA-N -1 3 394.649 3.889 20 10 GHCDHM COC(=O)CN(Cc1cnc([C@@H]2CCCO2)s1)Cc1cc(Cl)ccc1[O-] ZINC000769379506 874007604 /nfs/dbraw/zinc/00/76/04/874007604.db2.gz AXSAPDWAPXGOJD-INIZCTEOSA-N -1 3 396.896 3.529 20 10 GHCDHM O=C(c1cc2occc2s1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000769474156 874094027 /nfs/dbraw/zinc/09/40/27/874094027.db2.gz RZGDKPGGLXUTNQ-UHFFFAOYSA-N -1 3 376.865 3.811 20 10 GHCDHM COc1ccc2c(c1)nc(CNCc1cc(C)cc(Br)c1[O-])n2C ZINC000769937652 874376637 /nfs/dbraw/zinc/37/66/37/874376637.db2.gz PODCZAOHCWJKIK-UHFFFAOYSA-N -1 3 390.281 3.648 20 10 GHCDHM Cc1noc(C(C)C)c1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000771057818 875014242 /nfs/dbraw/zinc/01/42/42/875014242.db2.gz KXXVQVMJKBPJMM-MRXNPFEDSA-N -1 3 391.899 3.860 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CC=C(c3ccc4c(c3)OCCO4)CC2)c1[O-] ZINC000771465856 875297609 /nfs/dbraw/zinc/29/76/09/875297609.db2.gz WJHKQNYCCPSWIE-UHFFFAOYSA-N -1 3 383.419 3.794 20 10 GHCDHM Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000771639398 875375604 /nfs/dbraw/zinc/37/56/04/875375604.db2.gz XYKYSCQBZHADMJ-SFHVURJKSA-N -1 3 395.503 3.941 20 10 GHCDHM CN1CCO[C@@H]([C@H](NCc2cc(Cl)cc(F)c2[O-])c2ccc(Cl)cc2)C1 ZINC000776253210 876032995 /nfs/dbraw/zinc/03/29/95/876032995.db2.gz LCZCHLLUNQJHLK-QZTJIDSGSA-N -1 3 399.293 4.000 20 10 GHCDHM COC(=O)CN(Cc1csc(-c2ccoc2)n1)Cc1cc(Cl)ccc1[O-] ZINC000109779735 877430422 /nfs/dbraw/zinc/43/04/22/877430422.db2.gz FFHCATLNUMVZBU-UHFFFAOYSA-N -1 3 392.864 3.937 20 10 GHCDHM CC(C)(C)OC(=O)N1CCCN(Cc2cccc(Br)c2[O-])CC1 ZINC000179990639 878330538 /nfs/dbraw/zinc/33/05/38/878330538.db2.gz GAGHUVXCBGLTEN-UHFFFAOYSA-N -1 3 385.302 3.598 20 10 GHCDHM CC1(C)Cc2c(cnn2-c2ccccc2)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000852987019 878722923 /nfs/dbraw/zinc/72/29/23/878722923.db2.gz HLKOAHSUNNRBKR-UHFFFAOYSA-N -1 3 377.444 3.508 20 10 GHCDHM CN(CCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-])Cc1ccccc1 ZINC000804977210 883525766 /nfs/dbraw/zinc/52/57/66/883525766.db2.gz OOTDDRXAMCGMMJ-UHFFFAOYSA-N -1 3 382.291 3.630 20 10 GHCDHM CCOC(=O)[C@](C)(NCc1ccc(Br)cc1[O-])c1ccccc1 ZINC001183885758 912872676 /nfs/dbraw/zinc/87/26/76/912872676.db2.gz OIOSXQGZPKKKID-GOSISDBHSA-N -1 3 378.266 3.723 20 10 GHCDHM Cc1cccc(NC(=O)CN(C)Cc2c([O-])cccc2Br)c1C ZINC000862213173 886210789 /nfs/dbraw/zinc/21/07/89/886210789.db2.gz NWNZBDRKUXQDDA-UHFFFAOYSA-N -1 3 377.282 3.842 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC000862445993 886387814 /nfs/dbraw/zinc/38/78/14/886387814.db2.gz LIHHWTFKBFYNPM-UHFFFAOYSA-N -1 3 385.464 3.623 20 10 GHCDHM C[C@@H](N[C@H](C(N)=O)c1cccc(Br)c1)c1cc(Cl)ccc1[O-] ZINC000794827709 888242382 /nfs/dbraw/zinc/24/23/82/888242382.db2.gz HQMOAMNUSNJLDT-PSLIRLAXSA-N -1 3 383.673 3.685 20 10 GHCDHM CN1C(=O)Cc2c1cc(Cl)nc2NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168521922 890275284 /nfs/dbraw/zinc/27/52/84/890275284.db2.gz LKOVRAJBDHXYOA-UHFFFAOYSA-N -1 3 389.242 3.773 20 10 GHCDHM COc1c([O-])c(CN(C)Cc2ccccc2OC(F)(F)F)ccc1[N+](=O)[O-] ZINC000774827631 913628543 /nfs/dbraw/zinc/62/85/43/913628543.db2.gz RLUYXTBLYYNDBX-UHFFFAOYSA-N -1 3 386.326 3.840 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCC(O)(Cc3nc(C)cs3)CC2)c1[O-] ZINC000878926839 894727358 /nfs/dbraw/zinc/72/73/58/894727358.db2.gz OQNGKZSLDRYTAF-UHFFFAOYSA-N -1 3 394.924 3.583 20 10 GHCDHM Cc1cc(C(=O)NC2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)c(C)o1 ZINC000816502473 894880029 /nfs/dbraw/zinc/88/00/29/894880029.db2.gz CFMQNHJZKYPROY-UHFFFAOYSA-N -1 3 380.847 3.789 20 10 GHCDHM O=C1OCCN1c1cccc2c1CCN(Cc1cc(Cl)c(F)cc1[O-])C2 ZINC000816516807 894893657 /nfs/dbraw/zinc/89/36/57/894893657.db2.gz RJBFWSVWQYHVLE-UHFFFAOYSA-N -1 3 376.815 3.700 20 10 GHCDHM [O-]c1cc(F)c(Cl)cc1CN[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000816596411 894960922 /nfs/dbraw/zinc/96/09/22/894960922.db2.gz ARXRVOKVDMGCCG-ZDUSSCGKSA-N -1 3 379.737 3.907 20 10 GHCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000816996606 895248837 /nfs/dbraw/zinc/24/88/37/895248837.db2.gz PYQKTIGFJITFAJ-ZBEGNZNMSA-N -1 3 381.350 3.719 20 10 GHCDHM COc1c([O-])c(CNc2ccc(NC(=O)c3ccco3)cc2)ccc1[N+](=O)[O-] ZINC000774914448 914021711 /nfs/dbraw/zinc/02/17/11/914021711.db2.gz KZFOIASBSMKNJP-UHFFFAOYSA-N -1 3 383.360 3.766 20 10 GHCDHM COCC1(S(=O)(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CC1 ZINC000882670339 896889369 /nfs/dbraw/zinc/88/93/69/896889369.db2.gz QOSRHEKGNORIKJ-UHFFFAOYSA-N -1 3 390.486 3.590 20 10 GHCDHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(O)c(C(C)C)c3)cc2C[C@@H]1C ZINC000882798246 896999020 /nfs/dbraw/zinc/99/90/20/896999020.db2.gz ASAUVIQFUVWFLO-ZDUSSCGKSA-N -1 3 388.489 3.614 20 10 GHCDHM [O-]c1cc(F)c(Br)cc1CN1CCCC[C@](O)(C(F)(F)F)C1 ZINC001144298807 901647078 /nfs/dbraw/zinc/64/70/78/901647078.db2.gz JNXYSQHVTUFWGJ-CYBMUJFWSA-N -1 3 386.183 3.573 20 10 GHCDHM COc1cccc(C(=O)Nc2ccc(NC(=O)Nc3ccc(N)cc3)cc2)c1[O-] ZINC001148207464 904006599 /nfs/dbraw/zinc/00/65/99/904006599.db2.gz CATARKZCTGVMQP-UHFFFAOYSA-N -1 3 392.415 3.879 20 10 GHCDHM O=C(Nc1cc(-c2cccc(C(F)(F)F)c2)no1)c1cc(O)c([O-])c(O)c1 ZINC001148581768 904126448 /nfs/dbraw/zinc/12/64/48/904126448.db2.gz VPDQSGSZDIBKKR-UHFFFAOYSA-N -1 3 380.278 3.730 20 10 GHCDHM CCN(Cc1nccn1CC(F)(F)F)Cc1cc(Br)ccc1[O-] ZINC000174426489 905268571 /nfs/dbraw/zinc/26/85/71/905268571.db2.gz DSPVIXCEZZLHRG-UHFFFAOYSA-N -1 3 392.219 3.936 20 10 GHCDHM CCOc1ccc(-c2cn(C3CN(Cc4cc(Cl)ccc4[O-])C3)nn2)cc1 ZINC000779613147 907884707 /nfs/dbraw/zinc/88/47/07/907884707.db2.gz GLQNVBVVGYRKCZ-UHFFFAOYSA-N -1 3 384.867 3.760 20 10 GHCDHM O=C(Nc1ccc(OCc2cn3ccccc3n2)cc1)c1cccc(O)c1[O-] ZINC000193031815 908057566 /nfs/dbraw/zinc/05/75/66/908057566.db2.gz LHSCPWJDGFVJBC-UHFFFAOYSA-N -1 3 375.384 3.577 20 10 GHCDHM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)c1 ZINC000795329127 909879877 /nfs/dbraw/zinc/87/98/77/909879877.db2.gz BEJZDGSQZSSUFR-UHFFFAOYSA-N -1 3 391.489 3.730 20 10 GHCDHM Cc1noc([C@H]2CCCN(Cc3cc(Cl)cc(Br)c3[O-])C2)n1 ZINC001180157552 909994835 /nfs/dbraw/zinc/99/48/35/909994835.db2.gz KOVPIPJNEMZIDX-JTQLQIEISA-N -1 3 386.677 3.879 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])C1CC(O)(c2ccccc2)C1 ZINC001181647609 910901896 /nfs/dbraw/zinc/90/18/96/910901896.db2.gz ORBYNLQHZBZRCT-UHFFFAOYSA-N -1 3 382.847 3.508 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cccc(-c2cc[nH]n2)c1 ZINC001189026799 916380998 /nfs/dbraw/zinc/38/09/98/916380998.db2.gz SLAQREMHRPZPSF-UHFFFAOYSA-N -1 3 378.819 3.914 20 10 GHCDHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1 ZINC000775291543 916837114 /nfs/dbraw/zinc/83/71/14/916837114.db2.gz MNHBHWDSRNNLAI-UHFFFAOYSA-N -1 3 379.478 3.534 20 10 GHCDHM CC[C@](NCc1cc(F)cc(C(C)=O)c1[O-])(C(=O)OC)c1ccc(Cl)cc1 ZINC000796443380 917332765 /nfs/dbraw/zinc/33/27/65/917332765.db2.gz SESJJTDCFVGTCA-HXUWFJFHSA-N -1 3 393.842 3.955 20 10 GHCDHM C[C@@H](NCc1cn(C)nc1Br)c1cccc(C(F)(F)F)c1[O-] ZINC000903187363 922842521 /nfs/dbraw/zinc/84/25/21/922842521.db2.gz BIQSRXZURLYOSM-MRVPVSSYSA-N -1 3 378.192 3.758 20 10 GHCDHM COC(=O)c1cnc([C@H]2CCCN(Cc3cc(Cl)cc(F)c3[O-])C2)s1 ZINC000827941461 926346620 /nfs/dbraw/zinc/34/66/20/926346620.db2.gz FBZJCFYGYOQMGC-JTQLQIEISA-N -1 3 384.860 3.807 20 10 GHCDHM C[C@H](N[C@H](CCO)c1ccccc1Br)c1cc([N+](=O)[O-])ccc1[O-] ZINC000757636137 929753381 /nfs/dbraw/zinc/75/33/81/929753381.db2.gz CFWYHYAKULKJHL-MEDUHNTESA-N -1 3 395.253 3.837 20 10 GHCDHM Cc1ccc(C(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)c([O-])c1O ZINC000780936946 930645090 /nfs/dbraw/zinc/64/50/90/930645090.db2.gz FAWKQCACICUCOM-UHFFFAOYSA-N -1 3 397.452 3.632 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000781907701 931022242 /nfs/dbraw/zinc/02/22/42/931022242.db2.gz IGGVNSPILYLJBG-AWEZNQCLSA-N -1 3 382.220 3.598 20 10 GHCDHM CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cc(C)cc(Br)c1[O-] ZINC000781913342 931025051 /nfs/dbraw/zinc/02/50/51/931025051.db2.gz SJADREJMDFHSGK-HOTGVXAUSA-N -1 3 383.330 3.684 20 10 GHCDHM O=S(=O)(Cc1cc(-c2ccc(F)cc2)no1)Nc1ccc([O-])c(Cl)c1 ZINC000783846295 931688567 /nfs/dbraw/zinc/68/85/67/931688567.db2.gz LQEMSOBWUOVCBO-UHFFFAOYSA-N -1 3 382.800 3.782 20 10 GHCDHM CC[C@@H](Nc1ccc(OC)c(-n2nnnc2C2CC2)c1)c1ccc(F)cc1[O-] ZINC000796923913 932111176 /nfs/dbraw/zinc/11/11/76/932111176.db2.gz QSEPNNLKTXOKET-MRXNPFEDSA-N -1 3 383.427 3.956 20 10 GHCDHM O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1cccc(O)c1[O-] ZINC000797774736 932402779 /nfs/dbraw/zinc/40/27/79/932402779.db2.gz RGEVWDHFPKCGSH-XYPYZODXSA-N -1 3 380.213 3.675 20 10 GHCDHM COc1cc(Cl)cc(C[NH2+]CCc2cc3ccc(C(=O)[O-])cc3o2)c1[O-] ZINC001599420307 997582521 /nfs/dbraw/zinc/58/25/21/997582521.db2.gz DYWLNWKRJKZLMQ-UHFFFAOYSA-N -1 3 375.808 3.831 20 10 GHCDHM Cc1cc([O-])c(CN2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC001204180938 1032632076 /nfs/dbraw/zinc/63/20/76/1032632076.db2.gz WZQREBZCJWILBH-IBGZPJMESA-N -1 3 395.330 3.859 20 10 GHCDHM COC(=O)[C@H](Oc1c(O)c([O-])ccc1C(=O)c1ccccc1)c1ccc(F)cc1 ZINC001227938443 1032705783 /nfs/dbraw/zinc/70/57/83/1032705783.db2.gz VAHIXDAEAHGHMD-HXUWFJFHSA-N -1 3 396.370 3.761 20 10 GHCDHM CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1c([O-])cccc1Cl)CCO2 ZINC001140337798 1021442182 /nfs/dbraw/zinc/44/21/82/1021442182.db2.gz FKZKLHWKOPSYJB-UHFFFAOYSA-N -1 3 396.915 3.648 20 10 GHCDHM CC(C)(C)OC(=O)N1CCC2(CC1)COCCN2Cc1ccc(Cl)cc1[O-] ZINC001140462527 1021753923 /nfs/dbraw/zinc/75/39/23/1021753923.db2.gz ICTZENJQTONBCL-UHFFFAOYSA-N -1 3 396.915 3.648 20 10 GHCDHM [O-]c1cc(Cl)ccc1CN1CCN(Cc2ccncc2)c2ncccc2C1 ZINC001140465512 1021761032 /nfs/dbraw/zinc/76/10/32/1021761032.db2.gz OTEDQVMFNJPJQF-UHFFFAOYSA-N -1 3 380.879 3.858 20 10 GHCDHM COC(=O)CN(Cc1nc(C(C)(C)C)cs1)Cc1cc(Cl)ccc1[O-] ZINC000755944237 1023446158 /nfs/dbraw/zinc/44/61/58/1023446158.db2.gz UHXANOOGBSFAAT-UHFFFAOYSA-N -1 3 382.913 3.975 20 10 GHCDHM C[C@H](NCc1nccn1CC(F)(F)F)c1cc(Br)c(F)cc1[O-] ZINC000756539252 1023705252 /nfs/dbraw/zinc/70/52/52/1023705252.db2.gz KYSLESZBVANZPD-QMMMGPOBSA-N -1 3 396.182 3.903 20 10 GHCDHM C[C@H](NCc1cccc2c1OCCO2)c1cc(Br)cc(F)c1[O-] ZINC000756704404 1023781156 /nfs/dbraw/zinc/78/11/56/1023781156.db2.gz NCLOLXKZEDEIGL-JTQLQIEISA-N -1 3 382.229 3.916 20 10 GHCDHM [O-]c1c(Br)cc(Cl)cc1CN(CCO)Cc1cccs1 ZINC001141371495 1024751025 /nfs/dbraw/zinc/75/10/25/1024751025.db2.gz ZCIJNGONDLSWQB-UHFFFAOYSA-N -1 3 376.703 3.864 20 10 GHCDHM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2c([O-])cccc2Br)CC12CC2 ZINC001140098968 1026876078 /nfs/dbraw/zinc/87/60/78/1026876078.db2.gz VLARWDPOWYGTCD-OAHLLOKOSA-N -1 3 397.313 3.644 20 10 GHCDHM CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]2C1 ZINC001203574245 1027443782 /nfs/dbraw/zinc/44/37/82/1027443782.db2.gz RAGYSNYYZXVXLI-BETUJISGSA-N -1 3 387.307 3.998 20 10 GHCDHM [O-]c1ccc(Br)cc1CN1CCN(Cc2c(F)cccc2F)CC1 ZINC001203649685 1027504523 /nfs/dbraw/zinc/50/45/23/1027504523.db2.gz ASQWNJMNOVBXDO-UHFFFAOYSA-N -1 3 397.263 3.751 20 10 GHCDHM CC(C)(C)OC(=O)N1CCC[C@]2(CN(Cc3cc(Cl)ccc3[O-])CCO2)C1 ZINC001203651699 1027507676 /nfs/dbraw/zinc/50/76/76/1027507676.db2.gz STYAJUXQRFPYGU-FQEVSTJZSA-N -1 3 396.915 3.648 20 10 GHCDHM O=C(Nc1ccccc1)C1=NO[C@@]2(C1)CCCN(Cc1cc(Cl)ccc1[O-])C2 ZINC001203657115 1027512583 /nfs/dbraw/zinc/51/25/83/1027512583.db2.gz FACTWSTZQLPNGD-OAQYLSRUSA-N -1 3 399.878 3.795 20 10 GHCDHM C[C@H](NCc1nccc(C(F)(F)F)n1)c1cc(Br)ccc1[O-] ZINC000840868901 1027906258 /nfs/dbraw/zinc/90/62/58/1027906258.db2.gz FXIFETNWALQBIM-QMMMGPOBSA-N -1 3 376.176 3.814 20 10 GHCDHM Cc1cc([O-])c(CN(C)CCCOc2cccc(S(C)(=O)=O)c2)c(Cl)c1 ZINC000840911986 1027948543 /nfs/dbraw/zinc/94/85/43/1027948543.db2.gz FGIMIPRVVAQJMB-UHFFFAOYSA-N -1 3 397.924 3.658 20 10 GHCDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001142530711 1029034265 /nfs/dbraw/zinc/03/42/65/1029034265.db2.gz KWAIBEGEHLIUOR-NSHDSACASA-N -1 3 389.324 3.523 20 10 GHCDHM COCOc1ccc(Br)cc1-c1noc(-c2cccc(O)c2[O-])n1 ZINC001215145999 1029059766 /nfs/dbraw/zinc/05/97/66/1029059766.db2.gz WGCKSLPCRQNIQV-UHFFFAOYSA-N -1 3 393.193 3.560 20 10 GHCDHM Cc1cc(Br)c(-c2noc(-c3ccc(O)c(O)c3[O-])n2)cc1F ZINC001215325254 1029153608 /nfs/dbraw/zinc/15/36/08/1029153608.db2.gz ILWSJEBWXRAELE-UHFFFAOYSA-N -1 3 381.157 3.730 20 10 GHCDHM CCOc1ccc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)cc1Br ZINC001215327681 1029154792 /nfs/dbraw/zinc/15/47/92/1029154792.db2.gz NVUCOWYFLKOTDE-UHFFFAOYSA-N -1 3 393.193 3.682 20 10 GHCDHM Cc1ccc(C)n1-c1ccc(-c2noc(-c3cccc4c3[N-]C(=O)C4=O)n2)cc1 ZINC001217354287 1030331991 /nfs/dbraw/zinc/33/19/91/1030331991.db2.gz CTBSTJBNIVRYPR-UHFFFAOYSA-N -1 3 384.395 3.946 20 10 GHCDHM CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(Br)cc(F)c1[O-] ZINC001276881374 1030525360 /nfs/dbraw/zinc/52/53/60/1030525360.db2.gz QQXUDVFTZOENMH-HZPDHXFCSA-N -1 3 399.304 3.659 20 10 GHCDHM C[C@H]1NC[C@@H]1Oc1cc2c(-c3ccccc3)c3cc(O)c([O-])cc3oc-2cc1=O ZINC001218386475 1030915537 /nfs/dbraw/zinc/91/55/37/1030915537.db2.gz NFHDFRCOAFMEBV-IPQOISQHSA-N -1 3 389.407 3.715 20 10 GHCDHM O=C(NCc1ccc(-n2cnc3ccccc32)cc1)NCc1c([O-])cccc1F ZINC001225395683 1031382416 /nfs/dbraw/zinc/38/24/16/1031382416.db2.gz BRACRQDIECLTKX-UHFFFAOYSA-N -1 3 390.418 3.870 20 10 GHCDHM CN1CCc2nc(Cl)nc(NCc3cc(Cl)c4cccnc4c3[O-])c2C1 ZINC001157727805 1033743204 /nfs/dbraw/zinc/74/32/04/1033743204.db2.gz PBPVHHVMNNMQQC-UHFFFAOYSA-N -1 3 390.274 3.637 20 10 GHCDHM Cn1nccc1[C@@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001461885392 1069835813 /nfs/dbraw/zinc/83/58/13/1069835813.db2.gz PIZFXZCJBUSAJX-LLVKDONJSA-N -1 3 384.705 3.921 20 10 GHCDHM COc1cc([O-])c(CN2CCc3ccccc3C2)cc1I ZINC001248459194 1035880328 /nfs/dbraw/zinc/88/03/28/1035880328.db2.gz RNWRBJGACZVRNW-UHFFFAOYSA-N -1 3 395.240 3.564 20 10 GHCDHM COc1cc([O-])c(CN2CCN(c3ccc(Cl)cc3)C(=O)C2)cc1Cl ZINC001232269354 1037992130 /nfs/dbraw/zinc/99/21/30/1037992130.db2.gz WWWBDPQGUJQPPM-UHFFFAOYSA-N -1 3 381.259 3.556 20 10 GHCDHM COc1cc(C)nc(OC2CCN(Cc3cccc(C(F)(F)F)c3[O-])CC2)n1 ZINC001233419882 1039283029 /nfs/dbraw/zinc/28/30/29/1039283029.db2.gz PWCQSELCZONSMY-UHFFFAOYSA-N -1 3 397.397 3.561 20 10 GHCDHM O=C1C[C@@]2(CN1CC(F)F)CCCCN2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001277830698 1039822358 /nfs/dbraw/zinc/82/23/58/1039822358.db2.gz RUBAOASIDXYZGP-QGZVFWFLSA-N -1 3 393.261 3.921 20 10 GHCDHM [O-]c1ccc(-c2nnc([C@H]3C[C@H]3c3ccccc3)o2)cc1CN1CCOCC1 ZINC001254705289 1040464487 /nfs/dbraw/zinc/46/44/87/1040464487.db2.gz DCWIYUQFXDEWLK-OALUTQOASA-N -1 3 377.444 3.546 20 10 GHCDHM CCOC(=O)[C@]1(C)CCCCN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235293788 1040765311 /nfs/dbraw/zinc/76/53/11/1040765311.db2.gz BSWWTHBMIJHXAW-QGZVFWFLSA-N -1 3 388.277 3.849 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCOC[C@H]2Cc2ccccc2)c1 ZINC001236671738 1041819648 /nfs/dbraw/zinc/81/96/48/1041819648.db2.gz WYPZWQYIJPMOPC-QGZVFWFLSA-N -1 3 376.294 3.907 20 10 GHCDHM O=C(NCC(F)F)[C@@H]1CC12CCN(Cc1c([O-])ccc(Cl)c1Cl)CC2 ZINC001277995969 1041820328 /nfs/dbraw/zinc/82/03/28/1041820328.db2.gz RAJKPQHRTCDQEC-NSHDSACASA-N -1 3 393.261 3.682 20 10 GHCDHM CCOc1ccc(N2CCN(Cc3ccc(Br)c([O-])c3)CC2)cc1 ZINC001236696836 1041838044 /nfs/dbraw/zinc/83/80/44/1041838044.db2.gz YRUAVSOHVGUJOY-UHFFFAOYSA-N -1 3 391.309 3.876 20 10 GHCDHM COc1ccc(CN2CCN(C[C@@H](OC)c3ccccc3)CC2)c([O-])c1Cl ZINC001236808250 1041909130 /nfs/dbraw/zinc/90/91/30/1041909130.db2.gz WBMQLGKUKASXNG-LJQANCHMSA-N -1 3 390.911 3.560 20 10 GHCDHM O=C1N(CCC(F)(F)F)CC[C@]12CCCN2Cc1c([O-])ccc(F)c1Cl ZINC001278023396 1041942058 /nfs/dbraw/zinc/94/20/58/1041942058.db2.gz VGMCRRMIHXWIEJ-MRXNPFEDSA-N -1 3 394.796 3.704 20 10 GHCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001237081770 1042027883 /nfs/dbraw/zinc/02/78/83/1042027883.db2.gz UKYUTBHFTATOKE-DJJJIMSYSA-N -1 3 395.286 3.906 20 10 GHCDHM Cc1nc(CN2CCC3(CN(Cc4c([O-])ccc(F)c4Cl)C3)C2)cs1 ZINC001237123958 1042051798 /nfs/dbraw/zinc/05/17/98/1042051798.db2.gz IAXRVVOKBQJLKN-UHFFFAOYSA-N -1 3 381.904 3.658 20 10 GHCDHM O=C1NC2(C[C@H]1c1ccccc1)CCN(Cc1cc(Cl)cc(F)c1[O-])CC2 ZINC001237617634 1042283997 /nfs/dbraw/zinc/28/39/97/1042283997.db2.gz BROKMZVRVUFGMQ-KRWDZBQOSA-N -1 3 388.870 3.823 20 10 GHCDHM COC(=O)c1cccc2c1CN(Cc1cc(Br)c(C)cc1[O-])C2 ZINC001237680114 1042321999 /nfs/dbraw/zinc/32/19/99/1042321999.db2.gz YYMYRLRKXTWNON-UHFFFAOYSA-N -1 3 376.250 3.766 20 10 GHCDHM [O-]c1c(CN2CCN(C3CCC3)CC2)cc(Br)cc1C(F)(F)F ZINC001237784951 1042368375 /nfs/dbraw/zinc/36/83/75/1042368375.db2.gz ZMWCEIKYKBXTAZ-UHFFFAOYSA-N -1 3 393.247 3.844 20 10 GHCDHM C[C@@H]1CN(Cc2ccc(Br)cc2[O-])C[C@H](C)N1CC(F)(F)F ZINC001462633836 1070431516 /nfs/dbraw/zinc/43/15/16/1070431516.db2.gz JCBBMNVWXVLXDZ-PHIMTYICSA-N -1 3 381.236 3.612 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@H](c2nccs2)C1 ZINC001263114871 1046562703 /nfs/dbraw/zinc/56/27/03/1046562703.db2.gz BPPFFEPRGYCQDT-NSHDSACASA-N -1 3 398.517 3.731 20 10 GHCDHM Cc1cc([O-])c(CN2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2ccsc2)cc1Cl ZINC001279432601 1047804076 /nfs/dbraw/zinc/80/40/76/1047804076.db2.gz GZYBOQAWQCOBPU-CALCHBBNSA-N -1 3 390.936 3.833 20 10 GHCDHM CCCNC(=O)OC[C@H]1CCCCN1Cc1cc(C)cc(Br)c1[O-] ZINC001308747637 1050080453 /nfs/dbraw/zinc/08/04/53/1050080453.db2.gz CZSLXRHNSBZEIV-OAHLLOKOSA-N -1 3 399.329 3.954 20 10 GHCDHM Cc1ccc(CN2CCCN(c3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])CC2)cc1 ZINC001332519872 1051535840 /nfs/dbraw/zinc/53/58/40/1051535840.db2.gz NETMRFWNEPOPIB-NTMALXAHSA-N -1 3 395.459 3.713 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCc2cc(O)ccc2C1 ZINC001343558297 1053878435 /nfs/dbraw/zinc/87/84/35/1053878435.db2.gz VEBMCNBTEWRWFJ-UHFFFAOYSA-N -1 3 393.472 3.549 20 10 GHCDHM [O-]c1c(Br)cccc1CN1CCC(O)(Cc2ccccc2F)CC1 ZINC001321080762 1056085442 /nfs/dbraw/zinc/08/54/42/1056085442.db2.gz ZUKDLFWHGSXYDS-UHFFFAOYSA-N -1 3 394.284 3.863 20 10 GHCDHM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001447565615 1059983130 /nfs/dbraw/zinc/98/31/30/1059983130.db2.gz VHYDDPMACHIHFN-INIZCTEOSA-N -1 3 391.467 3.950 20 10 GHCDHM CCCCCCN(Cc1ccco1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC001456937427 1062924789 /nfs/dbraw/zinc/92/47/89/1062924789.db2.gz PGZKXCFNMWOWAZ-UHFFFAOYSA-N -1 3 394.493 3.579 20 10 GHCDHM CC(C)(C)OC(=O)NC1(CNC(=O)NCc2c([O-])cccc2F)CCCCC1 ZINC001468499159 1067752617 /nfs/dbraw/zinc/75/26/17/1067752617.db2.gz RBVXHAYNHWTPKF-UHFFFAOYSA-N -1 3 395.475 3.558 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC001475995042 1075065555 /nfs/dbraw/zinc/06/55/55/1075065555.db2.gz ILDJOCQLMGKSSF-UHFFFAOYSA-N -1 3 385.439 3.869 20 10 GHCDHM NC(=O)c1ccccc1Oc1ccc(NC(=O)NCc2c([O-])cccc2F)cc1 ZINC001476249051 1075110651 /nfs/dbraw/zinc/11/06/51/1075110651.db2.gz SVWNRKAXRVSVMX-UHFFFAOYSA-N -1 3 395.390 3.744 20 10 GHCDHM FC(F)Oc1ccc(N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000822732862 599084446 /nfs/dbraw/zinc/08/44/46/599084446.db2.gz MYGJJASLKQLFGC-OAHLLOKOSA-N -1 3 386.406 3.549 20 10 GHCDHM Cc1cc(C(=O)Nc2cccc(F)c2F)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737238405 598612088 /nfs/dbraw/zinc/61/20/88/598612088.db2.gz MRAIAOKRQLTSCW-UHFFFAOYSA-N -1 3 394.385 3.805 20 10 GHCDHM Cc1ccc(N2C(=O)C(=Cc3cc(-c4nnn[n-]4)cs3)SC2=S)cc1C ZINC000822241379 606334618 /nfs/dbraw/zinc/33/46/18/606334618.db2.gz UFARQJSXFTUUOE-AUWJEWJLSA-N -1 3 399.526 3.951 20 10 GHCDHM Cc1ccc(N2C(=O)C(=Cc3cc(-c4nn[n-]n4)cs3)SC2=S)cc1C ZINC000822241379 606334619 /nfs/dbraw/zinc/33/46/19/606334619.db2.gz UFARQJSXFTUUOE-AUWJEWJLSA-N -1 3 399.526 3.951 20 10 GHCDHM Cc1cccc(C)c1N1C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)SC1=S ZINC000822293603 606336084 /nfs/dbraw/zinc/33/60/84/606336084.db2.gz DLCJCHOIIRARKG-NTUHNPAUSA-N -1 3 399.526 3.951 20 10 GHCDHM Cc1cccc(C)c1N1C(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)SC1=S ZINC000822293603 606336085 /nfs/dbraw/zinc/33/60/85/606336085.db2.gz DLCJCHOIIRARKG-NTUHNPAUSA-N -1 3 399.526 3.951 20 10 GHCDHM Oc1ccc(F)cc1CNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826511520 609485385 /nfs/dbraw/zinc/48/53/85/609485385.db2.gz TVJIQTLFRDYABV-UHFFFAOYSA-N -1 3 391.406 3.903 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCC(OC[C@@H]3CCCCO3)CC2)c1[O-] ZINC000177584330 837982655 /nfs/dbraw/zinc/98/26/55/837982655.db2.gz PKHUYHDVKHATCL-SFHVURJKSA-N -1 3 381.900 3.798 20 10 GHCDHM CC(C)CO[C@@H](C)c1noc(CN(C)Cc2cc(Br)ccc2[O-])n1 ZINC000093885552 842847377 /nfs/dbraw/zinc/84/73/77/842847377.db2.gz KTWMCDRUTYVEDH-LBPRGKRZSA-N -1 3 398.301 3.903 20 10 GHCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@@H]2c2ccccc2)c1 ZINC000094019666 843081961 /nfs/dbraw/zinc/08/19/61/843081961.db2.gz MSOMAQPNFVSDHJ-GOSISDBHSA-N -1 3 388.489 3.521 20 10 GHCDHM CSc1cc2c(cc1[N-]C(=O)c1c(C)oc(-n3cccc3)c1C#N)OCCO2 ZINC000156643628 853966154 /nfs/dbraw/zinc/96/61/54/853966154.db2.gz WRBLXQMSFCKITB-UHFFFAOYSA-N -1 3 395.440 3.996 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c1[O-] ZINC000766267159 866389111 /nfs/dbraw/zinc/38/91/11/866389111.db2.gz QEQMSYOFNQCJHO-GOSISDBHSA-N -1 3 395.377 3.909 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C(F)(F)c1ccccc1 ZINC000857472271 882285381 /nfs/dbraw/zinc/28/53/81/882285381.db2.gz JBUMKVGQYQDICN-QGZVFWFLSA-N -1 3 394.849 3.918 20 10 GHCDHM CC(C)OC(=O)N1CCc2c(Cl)c([O-])c(O)cc2[C@H](c2ccc(O)cc2)C1 ZINC001193476292 871119943 /nfs/dbraw/zinc/11/99/43/871119943.db2.gz JTURRVMRQJXDNE-INIZCTEOSA-N -1 3 391.851 3.992 20 10 GHCDHM Cc1cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])nn1CC(F)(F)F ZINC001194318007 871616595 /nfs/dbraw/zinc/61/65/95/871616595.db2.gz ZDIJPYUBSNNUHH-UHFFFAOYSA-N -1 3 398.772 3.591 20 10 GHCDHM Cc1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)c(C)n1-c1ccc(F)cc1 ZINC001169574740 871648832 /nfs/dbraw/zinc/64/88/32/871648832.db2.gz WJVCONBWPHAPCF-UHFFFAOYSA-N -1 3 376.395 3.666 20 10 GHCDHM Cc1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)c(C)n1-c1ccc(F)cc1 ZINC001169574740 871648842 /nfs/dbraw/zinc/64/88/42/871648842.db2.gz WJVCONBWPHAPCF-UHFFFAOYSA-N -1 3 376.395 3.666 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1[O-] ZINC000182834362 872846348 /nfs/dbraw/zinc/84/63/48/872846348.db2.gz MTEQPFBPCYCYHB-CQSZACIVSA-N -1 3 385.361 3.786 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccc(-c2nnco2)cc1 ZINC001197691047 873984166 /nfs/dbraw/zinc/98/41/66/873984166.db2.gz OCCCTCSGRAREGV-UHFFFAOYSA-N -1 3 380.791 3.574 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cnccc1OC(F)F ZINC001199381770 874956646 /nfs/dbraw/zinc/95/66/46/874956646.db2.gz DQQIYTZILPICFF-UHFFFAOYSA-N -1 3 379.750 3.520 20 10 GHCDHM CS[C@@H](C(N)=O)c1cccc(C(=O)c2ccccc2)c1Nc1cncc([O-])c1 ZINC001201641167 875810321 /nfs/dbraw/zinc/81/03/21/875810321.db2.gz LTWYDXRCVPORCT-HXUWFJFHSA-N -1 3 393.468 3.651 20 10 GHCDHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000786828340 876948096 /nfs/dbraw/zinc/94/80/96/876948096.db2.gz UVOFOMGTBXYRRX-INIZCTEOSA-N -1 3 386.467 3.568 20 10 GHCDHM C[C@H](Nc1ccc2c(c1)CN(CC(N)=O)CC2)c1cc(Cl)c(Cl)cc1[O-] ZINC000788610196 878167102 /nfs/dbraw/zinc/16/71/02/878167102.db2.gz RZODRZFLAQOKLD-NSHDSACASA-N -1 3 394.302 3.716 20 10 GHCDHM CC(C)(C)c1nnc2n1CCN(Cc1c3c(ccc1[O-])oc1c3CCCC1)C2 ZINC000853615295 879170287 /nfs/dbraw/zinc/17/02/87/879170287.db2.gz DMXLPCLMIZTJDQ-UHFFFAOYSA-N -1 3 380.492 3.922 20 10 GHCDHM COc1ccc(CC[C@H]2CCCCN2C(=O)c2cccc(O)c2[O-])cc1OC ZINC000790861077 880059417 /nfs/dbraw/zinc/05/94/17/880059417.db2.gz HMVCRZQVDHHKGL-MRXNPFEDSA-N -1 3 385.460 3.743 20 10 GHCDHM [O-]c1ccc(Cl)c(F)c1CNCc1cc2c(c(Br)c1)OCO2 ZINC000790955196 880099817 /nfs/dbraw/zinc/09/98/17/880099817.db2.gz CJWFNBAUXDNKJP-UHFFFAOYSA-N -1 3 388.620 3.966 20 10 GHCDHM [O-]c1c(CNc2cnc(OCc3ccccn3)cn2)cc(Cl)c2cccnc12 ZINC001168525431 883667058 /nfs/dbraw/zinc/66/70/58/883667058.db2.gz DAHRIYBNUUJKLE-UHFFFAOYSA-N -1 3 393.834 3.970 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN(C)CC(=O)NCCC2=CCCCC2)c1 ZINC001183960119 912927863 /nfs/dbraw/zinc/92/78/63/912927863.db2.gz VYJNWYKNMRECEF-UHFFFAOYSA-N -1 3 395.341 3.902 20 10 GHCDHM [O-]c1cccc(Br)c1CN(Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000862358168 886316314 /nfs/dbraw/zinc/31/63/14/886316314.db2.gz WYDLEXMWCMFNQG-UHFFFAOYSA-N -1 3 399.292 3.900 20 10 GHCDHM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000123902400 891099643 /nfs/dbraw/zinc/09/96/43/891099643.db2.gz VTIIQZUZPULGMG-UHFFFAOYSA-N -1 3 388.489 3.752 20 10 GHCDHM COc1ccc(-n2c(C)cc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)c2C)cc1 ZINC000125245275 892407670 /nfs/dbraw/zinc/40/76/70/892407670.db2.gz VYIBOUJQVDXZMF-UHFFFAOYSA-N -1 3 388.431 3.535 20 10 GHCDHM COc1ccc(-n2c(C)cc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)c2C)cc1 ZINC000125245275 892407676 /nfs/dbraw/zinc/40/76/76/892407676.db2.gz VYIBOUJQVDXZMF-UHFFFAOYSA-N -1 3 388.431 3.535 20 10 GHCDHM O=C([C@@H]1CC12CCN(Cc1cc(Cl)c(F)cc1[O-])CC2)N1CCCCC1 ZINC000816565089 894947393 /nfs/dbraw/zinc/94/73/93/894947393.db2.gz AYUNBOKTURPSKM-HNNXBMFYSA-N -1 3 380.891 3.799 20 10 GHCDHM COc1c([O-])c(CNc2ccc(C)cc2OC[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000774929445 914096071 /nfs/dbraw/zinc/09/60/71/914096071.db2.gz ZHJOEAYVMWAGHK-HNNXBMFYSA-N -1 3 388.420 3.787 20 10 GHCDHM COc1ccc(CCN(Cc2ccccc2)C(=O)c2cccc(O)c2[O-])cc1 ZINC001136594853 898455582 /nfs/dbraw/zinc/45/55/82/898455582.db2.gz FVYWGCRCVQDNGD-UHFFFAOYSA-N -1 3 377.440 3.992 20 10 GHCDHM CCN(Cc1cc(C(F)(F)F)nn1C)Cc1cc(Br)ccc1[O-] ZINC000824913076 899875813 /nfs/dbraw/zinc/87/58/13/899875813.db2.gz HGGJLUODJBMRDI-UHFFFAOYSA-N -1 3 392.219 3.929 20 10 GHCDHM Cc1cnccc1O[C@@H]1CCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144307703 901698205 /nfs/dbraw/zinc/69/82/05/901698205.db2.gz AJYGKNBUWYAQQZ-CYBMUJFWSA-N -1 3 381.245 3.651 20 10 GHCDHM CC(C)N1CCC2(CCN(Cc3cc(Br)c(F)cc3[O-])CC2)C1=O ZINC001144307784 901698310 /nfs/dbraw/zinc/69/83/10/901698310.db2.gz HTRUNEHOXRIFRC-UHFFFAOYSA-N -1 3 399.304 3.517 20 10 GHCDHM Cc1cc(N(C)C)ccc1C[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001186818810 914831855 /nfs/dbraw/zinc/83/18/55/914831855.db2.gz JTZVFTKVFKLEOL-UHFFFAOYSA-N -1 3 387.530 3.663 20 10 GHCDHM COc1cc(OC)cc([C@H](N[C@H](C)c2cc(F)ccc2[O-])c2nccn2C)c1 ZINC000184960579 907687400 /nfs/dbraw/zinc/68/74/00/907687400.db2.gz DKDWFOQWNMHDKO-XCLFUZPHSA-N -1 3 385.439 3.722 20 10 GHCDHM Cc1cc([N-]S(=O)(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c(C)cc1O ZINC001187458321 915266797 /nfs/dbraw/zinc/26/67/97/915266797.db2.gz VRYNPRSFEAUBLR-UHFFFAOYSA-N -1 3 377.462 3.761 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cccc(-c2ccccn2)n1 ZINC001192119712 918420034 /nfs/dbraw/zinc/42/00/34/918420034.db2.gz KRNNWLDQCOCONU-UHFFFAOYSA-N -1 3 390.830 3.981 20 10 GHCDHM Cc1oc(C2CC2)nc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000802782113 922400460 /nfs/dbraw/zinc/40/04/60/922400460.db2.gz OAODHEAQYOGSLK-INIZCTEOSA-N -1 3 389.883 3.614 20 10 GHCDHM Cc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)nn1C(C)C ZINC000827095673 924738021 /nfs/dbraw/zinc/73/80/21/924738021.db2.gz JYLZKDFOAWGWQM-KRWDZBQOSA-N -1 3 390.915 3.526 20 10 GHCDHM Cc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c([O-])c1O ZINC000751534232 928236071 /nfs/dbraw/zinc/23/60/71/928236071.db2.gz VUYQOHIDBCHFNP-UHFFFAOYSA-N -1 3 384.413 3.553 20 10 GHCDHM Cc1sc2[n-]c([C@H](C)OC(=O)C=Cc3ccc(O)c(O)c3)nc(=O)c2c1C ZINC000759588309 930414664 /nfs/dbraw/zinc/41/46/64/930414664.db2.gz KJMJVGGGJNGYEB-STUBTGCMSA-N -1 3 386.429 3.743 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc(Sc3nncn3C)c(Cl)c2)c([O-])c1O ZINC000780918377 930639247 /nfs/dbraw/zinc/63/92/47/930639247.db2.gz ZSYRLEKZDCBCEC-UHFFFAOYSA-N -1 3 390.852 3.592 20 10 GHCDHM O=C([O-])Cc1ccccc1CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841795710 979311733 /nfs/dbraw/zinc/31/17/33/979311733.db2.gz VSYUMEMAMHXPJU-UHFFFAOYSA-N -1 3 383.448 3.502 20 10 GHCDHM CCOc1ccc(N2CCN(Cc3ccc(C(=O)[O-])c4cccnc34)CC2)cc1 ZINC001597112933 986783932 /nfs/dbraw/zinc/78/39/32/986783932.db2.gz ZBMBHTZAIGZHHE-UHFFFAOYSA-N -1 3 391.471 3.654 20 10 GHCDHM C[C@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593274478 994625371 /nfs/dbraw/zinc/62/53/71/994625371.db2.gz LPBCVTDEARTQBS-LBPRGKRZSA-N -1 3 383.366 3.925 20 10 GHCDHM COc1ccc([C@H](C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])N2CCCC2)cc1 ZINC001599515026 997368474 /nfs/dbraw/zinc/36/84/74/997368474.db2.gz CHDRJHGOUVOPEO-QRWLVFNGSA-N -1 3 384.476 3.587 20 10 GHCDHM COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)c1[O-] ZINC001599420558 997586400 /nfs/dbraw/zinc/58/64/00/997586400.db2.gz LHOWPKDQKOKBLN-JTQLQIEISA-N -1 3 382.869 3.589 20 10 GHCDHM COc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)c1[O-] ZINC001599420558 997586413 /nfs/dbraw/zinc/58/64/13/997586413.db2.gz LHOWPKDQKOKBLN-JTQLQIEISA-N -1 3 382.869 3.589 20 10 GHCDHM COc1cc(Br)cc(C[NH2+][C@@H](C(=O)[O-])c2ccc(F)c(C)c2)c1[O-] ZINC001599346870 998022164 /nfs/dbraw/zinc/02/21/64/998022164.db2.gz PSHXWVUOCUTEOJ-OAHLLOKOSA-N -1 3 398.228 3.526 20 10 GHCDHM CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(CC)ccc1[O-] ZINC000834514972 1021237219 /nfs/dbraw/zinc/23/72/19/1021237219.db2.gz YBFBFVKNNWUUCD-UHFFFAOYSA-N -1 3 398.503 3.957 20 10 GHCDHM O=C(NC[C@H]1CCCCN1Cc1cc(Cl)c(F)cc1[O-])c1ccccc1 ZINC001204608467 1032992545 /nfs/dbraw/zinc/99/25/45/1032992545.db2.gz IBDOTTAKJNYDTF-MRXNPFEDSA-N -1 3 376.859 3.969 20 10 GHCDHM COc1ccccc1[C@H](CO)N[C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756713099 1023785062 /nfs/dbraw/zinc/78/50/62/1023785062.db2.gz TYSLKGSDODDXLD-BONVTDFDSA-N -1 3 384.245 3.687 20 10 GHCDHM CCOC[C@@H]1CN(Cc2c([O-])cccc2Br)Cc2cnn(CC)c21 ZINC001140100461 1026877723 /nfs/dbraw/zinc/87/77/23/1026877723.db2.gz PTKWNNBNJOXXPO-AWEZNQCLSA-N -1 3 394.313 3.507 20 10 GHCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001203575318 1027445749 /nfs/dbraw/zinc/44/57/49/1027445749.db2.gz KMCXUQUMHZFJAI-LPHOPBHVSA-N -1 3 395.286 3.906 20 10 GHCDHM CC1CCN(C(=O)c2ccc(NC(=O)NCc3c([O-])cccc3F)cc2)CC1 ZINC001214857438 1028940583 /nfs/dbraw/zinc/94/05/83/1028940583.db2.gz LXLAYGXDYVQHAF-UHFFFAOYSA-N -1 3 385.439 3.725 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2ccc(F)c(-c3nnc[nH]3)c2)c1 ZINC001461506987 1069582625 /nfs/dbraw/zinc/58/26/25/1069582625.db2.gz PQWZXYCOWIPJLU-UHFFFAOYSA-N -1 3 377.217 3.999 20 10 GHCDHM COC[C@@H](NCc1cc(Br)cc(F)c1[O-])c1cccc(OC)c1 ZINC001461614723 1069642151 /nfs/dbraw/zinc/64/21/51/1069642151.db2.gz IOEAQMJOYTZPTH-MRXNPFEDSA-N -1 3 384.245 3.780 20 10 GHCDHM CCN(Cc1cc(Br)ccc1O)C(=O)Cc1ccc([O-])c(F)c1 ZINC001149899585 1030341973 /nfs/dbraw/zinc/34/19/73/1030341973.db2.gz GIYSFSYFQIUBPN-UHFFFAOYSA-N -1 3 382.229 3.591 20 10 GHCDHM CC(C)NC(=O)OC[C@H]1CCCCN1Cc1ccc(Br)cc1[O-] ZINC001205718402 1033545894 /nfs/dbraw/zinc/54/58/94/1033545894.db2.gz YRFPNNOISCMMJM-OAHLLOKOSA-N -1 3 385.302 3.644 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cncc(F)c1Cl ZINC001160960483 1035106869 /nfs/dbraw/zinc/10/68/69/1035106869.db2.gz IIKZLKNDXLYQLU-CYBMUJFWSA-N -1 3 398.265 3.628 20 10 GHCDHM COc1cc([O-])c(CN2CCn3c(COCC4CC4)cnc3[C@H]2C)cc1Cl ZINC001232265522 1037986671 /nfs/dbraw/zinc/98/66/71/1037986671.db2.gz NUSZAHLEZOMMOM-CYBMUJFWSA-N -1 3 391.899 3.754 20 10 GHCDHM COc1cc([O-])c(CN2CC3(C2)CCCN(C(=O)OC(C)(C)C)C3)cc1Cl ZINC001232267187 1037988659 /nfs/dbraw/zinc/98/86/59/1037988659.db2.gz ZGFXBOIUYXKMRT-UHFFFAOYSA-N -1 3 396.915 3.887 20 10 GHCDHM CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(Cl)c(OC)cc1[O-] ZINC001232269221 1037991937 /nfs/dbraw/zinc/99/19/37/1037991937.db2.gz TYVPJSACWSWQKF-AWEZNQCLSA-N -1 3 384.904 3.886 20 10 GHCDHM COc1cc([O-])c(CN2CCC[C@@H]3[C@@H]2CN3C(=O)OC(C)(C)C)cc1Cl ZINC001232269041 1037991994 /nfs/dbraw/zinc/99/19/94/1037991994.db2.gz ZRADNESHSGFOGJ-CABCVRRESA-N -1 3 382.888 3.638 20 10 GHCDHM CCOc1cccc(N2CCN(Cc3cc(Cl)c(OC)cc3[O-])CC2)c1 ZINC001232269442 1037992265 /nfs/dbraw/zinc/99/22/65/1037992265.db2.gz ZZVDTQRVWNUSCX-UHFFFAOYSA-N -1 3 376.884 3.775 20 10 GHCDHM COc1cc([O-])c(CN2CC[C@H]2COCc2ccccc2)cc1Br ZINC001233138770 1038917962 /nfs/dbraw/zinc/91/79/62/1038917962.db2.gz DCJYKTYMZXHKOV-INIZCTEOSA-N -1 3 392.293 3.954 20 10 GHCDHM [O-]c1c(CN2CCC(Oc3ccc(Cl)nn3)CC2)cccc1C(F)(F)F ZINC001233419419 1039280676 /nfs/dbraw/zinc/28/06/76/1039280676.db2.gz XBWMBHZFVYFJAZ-UHFFFAOYSA-N -1 3 387.789 3.898 20 10 GHCDHM COc1cccnc1O[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233419874 1039281900 /nfs/dbraw/zinc/28/19/00/1039281900.db2.gz PSXUCSVYQNHBLR-AWEZNQCLSA-N -1 3 382.382 3.858 20 10 GHCDHM O=C(c1cccc(F)c1)N1CCN(Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233454400 1039344534 /nfs/dbraw/zinc/34/45/34/1039344534.db2.gz TYJZHKBLEJUJEF-UHFFFAOYSA-N -1 3 382.357 3.508 20 10 GHCDHM CCCC(=O)c1cc(O)c([O-])cc1OC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001233494245 1039387003 /nfs/dbraw/zinc/38/70/03/1039387003.db2.gz AXKRXBWJICENFQ-GOSISDBHSA-N -1 3 399.487 3.751 20 10 GHCDHM O=C(NCc1cc2cc(Br)ccc2[nH]1)NCc1c([O-])cccc1F ZINC001233711363 1039557757 /nfs/dbraw/zinc/55/77/57/1039557757.db2.gz ACENFQCEEMAASE-UHFFFAOYSA-N -1 3 392.228 3.775 20 10 GHCDHM O=c1c2cc(O)c(O)cc2oc2cc([O-])cc(O[C@H]3CCOc4ccccc43)c12 ZINC001234748120 1040274149 /nfs/dbraw/zinc/27/41/49/1040274149.db2.gz FTHXBMTVUGHDNJ-KRWDZBQOSA-N -1 3 392.363 3.966 20 10 GHCDHM CC(=O)N1CCCC[C@@]12CCCN(Cc1cc(Br)cc(F)c1[O-])C2 ZINC001235066125 1040555443 /nfs/dbraw/zinc/55/54/43/1040555443.db2.gz WDFHUZMCTLUHKU-SFHVURJKSA-N -1 3 399.304 3.661 20 10 GHCDHM [O-]c1c(F)cc(Br)cc1CN1CCC[C@H](Oc2ccncc2)C1 ZINC001235076609 1040565241 /nfs/dbraw/zinc/56/52/41/1040565241.db2.gz YUYYCXVJPXWCLB-HNNXBMFYSA-N -1 3 381.245 3.732 20 10 GHCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CC[C@@]2(C1)CCCN(c1ncccn1)C2 ZINC001236789429 1041895667 /nfs/dbraw/zinc/89/56/67/1041895667.db2.gz GGNAVKIEWHONTJ-LJQANCHMSA-N -1 3 393.318 3.982 20 10 GHCDHM COc1cc([O-])c(CN2C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]2C)c(Cl)c1 ZINC001236803426 1041905984 /nfs/dbraw/zinc/90/59/84/1041905984.db2.gz NSSZRPUFQLKVEP-STQMWFEESA-N -1 3 384.904 3.932 20 10 GHCDHM COc1cc([O-])c(CN2C[C@@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)c(Cl)c1 ZINC001236805099 1041906403 /nfs/dbraw/zinc/90/64/03/1041906403.db2.gz DTBYVJSEFKDPHQ-STQMWFEESA-N -1 3 382.888 3.638 20 10 GHCDHM COc1cc([O-])c(CN(C)Cc2cccc(OC)c2OC)c(Br)c1 ZINC001237069485 1042020731 /nfs/dbraw/zinc/02/07/31/1042020731.db2.gz GMJKRFPHYRDHCQ-UHFFFAOYSA-N -1 3 396.281 3.813 20 10 GHCDHM COc1cc([O-])c(CN2CC[C@H]2COCc2ccccc2)c(Br)c1 ZINC001237073208 1042022090 /nfs/dbraw/zinc/02/20/90/1042022090.db2.gz QAEMYFKWIZRTOZ-HNNXBMFYSA-N -1 3 392.293 3.954 20 10 GHCDHM CC(C)(C)OC(=O)N[C@H]1CCCN(Cc2ccc(Br)cc2[O-])C1 ZINC001462583523 1070388631 /nfs/dbraw/zinc/38/86/31/1070388631.db2.gz IWMLOEBVSVSBRM-AWEZNQCLSA-N -1 3 385.302 3.644 20 10 GHCDHM [O-]c1ccc(F)c(Cl)c1CN1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001237122020 1042049715 /nfs/dbraw/zinc/04/97/15/1042049715.db2.gz QLIUYSNZZBUFOH-VBKZILBWSA-N -1 3 392.858 3.782 20 10 GHCDHM CC(C)(C[NH3+])c1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])cc1 ZINC001237651393 1042304137 /nfs/dbraw/zinc/30/41/37/1042304137.db2.gz ZPTACQJBBPLDHE-UHFFFAOYSA-N -1 3 389.304 3.736 20 10 GHCDHM COC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(Br)c(C)cc1[O-] ZINC001237682320 1042323046 /nfs/dbraw/zinc/32/30/46/1042323046.db2.gz QXTYTIOWJHYZFI-KRWDZBQOSA-N -1 3 390.277 3.563 20 10 GHCDHM [O-]c1c(CN2CC[C@@]3(CCOC3)C2)cc(Br)cc1C(F)(F)F ZINC001237783312 1042367235 /nfs/dbraw/zinc/36/72/35/1042367235.db2.gz HITBSSURGIFGKD-CQSZACIVSA-N -1 3 380.204 3.786 20 10 GHCDHM [O-]c1cc(Cl)c(F)cc1CN1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001237935654 1042427515 /nfs/dbraw/zinc/42/75/15/1042427515.db2.gz DFRSTPVLMSBKQX-XFQXTVEOSA-N -1 3 392.858 3.781 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)c1cc2c(cncc2Br)s1 ZINC001303875939 1047526253 /nfs/dbraw/zinc/52/62/53/1047526253.db2.gz RJJRNZYQRBSDTQ-UHFFFAOYSA-N -1 3 381.226 3.834 20 10 GHCDHM CCN(CC)C(=O)OC[C@H]1CCCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC001307745726 1049557814 /nfs/dbraw/zinc/55/78/14/1049557814.db2.gz FGHFIIUNQFUYPL-QGZVFWFLSA-N -1 3 380.460 3.567 20 10 GHCDHM COC(=O)CN(CCCc1ccc(F)c(F)c1)Cc1cc(Cl)ccc1[O-] ZINC001308629049 1050040132 /nfs/dbraw/zinc/04/01/32/1050040132.db2.gz ZVWQITMVNUCTOG-UHFFFAOYSA-N -1 3 383.822 3.932 20 10 GHCDHM Cc1cc([O-])c(CN2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)cc1Cl ZINC001308826715 1050110980 /nfs/dbraw/zinc/11/09/80/1050110980.db2.gz XAIJZYZWFZHAMH-HXUWFJFHSA-N -1 3 384.907 3.903 20 10 GHCDHM CCOCCCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@@H]1C ZINC001342319686 1053103291 /nfs/dbraw/zinc/10/32/91/1053103291.db2.gz BEXFJSBEDBPNEL-ZDUSSCGKSA-N -1 3 387.509 3.676 20 10 GHCDHM Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NCc1c([O-])cccc1F ZINC001456031502 1062420522 /nfs/dbraw/zinc/42/05/22/1062420522.db2.gz XSEWDGHTZDGCFG-UHFFFAOYSA-N -1 3 381.429 3.573 20 10 GHCDHM C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NCc1c([O-])cccc1F ZINC001458025357 1063512454 /nfs/dbraw/zinc/51/24/54/1063512454.db2.gz IKHQWYQPFHDWSH-NSHDSACASA-N -1 3 394.240 3.819 20 10 GHCDHM CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000847325800 1065061817 /nfs/dbraw/zinc/06/18/17/1065061817.db2.gz UVBOGCLAMYREQL-UHFFFAOYSA-N -1 3 392.459 3.561 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC(CCOC)CC1 ZINC001357516105 1067140931 /nfs/dbraw/zinc/14/09/31/1067140931.db2.gz GFCWUFTXOALPNV-UHFFFAOYSA-N -1 3 387.509 3.533 20 10 GHCDHM CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC(=O)NCc1c([O-])cccc1F ZINC001470203530 1068623565 /nfs/dbraw/zinc/62/35/65/1068623565.db2.gz WAIUHVNSXNOYLE-AWEZNQCLSA-N -1 3 395.475 3.510 20 10 GHCDHM C[C@@H](C(=O)NCc1c([O-])cccc1F)c1ccc(I)cc1 ZINC001471976459 1073288553 /nfs/dbraw/zinc/28/85/53/1073288553.db2.gz ZPZXLENFIUVZEG-SNVBAGLBSA-N -1 3 399.203 3.556 20 10 GHCDHM CCOC(=O)c1sc([C@H]2CCN(Cc3ccc(F)c(F)c3[O-])C2)nc1C ZINC001474687078 1074515267 /nfs/dbraw/zinc/51/52/67/1074515267.db2.gz CJWUIVIPXXGFQS-LBPRGKRZSA-N -1 3 382.432 3.602 20 10 GHCDHM Cc1cc(C(=O)N(C)[C@H]2CCC[C@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227680 598609975 /nfs/dbraw/zinc/60/99/75/598609975.db2.gz PDAAOLOBMXVTQN-LIRRHRJNSA-N -1 3 392.507 3.925 20 10 GHCDHM Cc1cc(C(=O)N(C)C2CCC(C)CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737228139 598610527 /nfs/dbraw/zinc/61/05/27/598610527.db2.gz VALYXHBAWFKFGE-UHFFFAOYSA-N -1 3 392.507 3.925 20 10 GHCDHM C[C@@H]1CCCC[C@H]1N1C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)SC1=S ZINC000820703574 606335637 /nfs/dbraw/zinc/33/56/37/606335637.db2.gz HXZVZEUBMDEUGA-QNOUQITGSA-N -1 3 391.547 3.708 20 10 GHCDHM C[C@@H]1CCCC[C@H]1N1C(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)SC1=S ZINC000820703574 606335639 /nfs/dbraw/zinc/33/56/39/606335639.db2.gz HXZVZEUBMDEUGA-QNOUQITGSA-N -1 3 391.547 3.708 20 10 GHCDHM CCc1ccccc1N1C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)SC1=S ZINC000821497184 606336385 /nfs/dbraw/zinc/33/63/85/606336385.db2.gz QNPMSLIWEHYHJO-RIYZIHGNSA-N -1 3 399.526 3.896 20 10 GHCDHM CCc1ccccc1N1C(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)SC1=S ZINC000821497184 606336387 /nfs/dbraw/zinc/33/63/87/606336387.db2.gz QNPMSLIWEHYHJO-RIYZIHGNSA-N -1 3 399.526 3.896 20 10 GHCDHM CCCN(Cc1ccccc1O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821109808 607200956 /nfs/dbraw/zinc/20/09/56/607200956.db2.gz PKJYPJKZRULFBH-UHFFFAOYSA-N -1 3 386.843 3.670 20 10 GHCDHM CCCN(Cc1ccccc1O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821109808 607200957 /nfs/dbraw/zinc/20/09/57/607200957.db2.gz PKJYPJKZRULFBH-UHFFFAOYSA-N -1 3 386.843 3.670 20 10 GHCDHM O=S(=O)([N-]Cc1ccc(N2CCCCC2)cc1)c1cc(F)ccc1Cl ZINC000728586030 835713025 /nfs/dbraw/zinc/71/30/25/835713025.db2.gz FZWSDTVCFWNTOW-UHFFFAOYSA-N -1 3 382.888 3.948 20 10 GHCDHM CC(=O)Nc1cccc2c1CCN(Cc1cc(Br)ccc1[O-])C2 ZINC000179529243 835865382 /nfs/dbraw/zinc/86/53/82/835865382.db2.gz HHLMLBFIXZFQFA-UHFFFAOYSA-N -1 3 375.266 3.671 20 10 GHCDHM O=C(c1c(F)cccc1Cl)N1CCN(Cc2c([O-])ccc3ccncc32)CC1 ZINC000728286450 838997583 /nfs/dbraw/zinc/99/75/83/838997583.db2.gz QSIULVQNAWDTLK-UHFFFAOYSA-N -1 3 399.853 3.691 20 10 GHCDHM C[C@@H]([NH2+]C[C@]([O-])(c1nccn1C)C(F)(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000273438758 847338804 /nfs/dbraw/zinc/33/88/04/847338804.db2.gz MLZZNVFTXXBZLJ-CLAHSXSESA-N -1 3 398.212 3.533 20 10 GHCDHM COC(=O)CN(Cc1cc(-c2cccs2)on1)Cc1cc(Cl)ccc1[O-] ZINC000732203265 862144163 /nfs/dbraw/zinc/14/41/63/862144163.db2.gz TYIGQAQVCSQJQA-UHFFFAOYSA-N -1 3 392.864 3.937 20 10 GHCDHM CC(C)OCCOC1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000894932731 854230197 /nfs/dbraw/zinc/23/01/97/854230197.db2.gz IQWQGKZAEGTSTC-UHFFFAOYSA-N -1 3 390.293 3.700 20 10 GHCDHM CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc([O-])ccc2Cl)cc1 ZINC000764459717 859456239 /nfs/dbraw/zinc/45/62/39/859456239.db2.gz JNXQSHFDFKSLSG-GOSISDBHSA-N -1 3 388.895 3.933 20 10 GHCDHM CCN(Cc1nc(-c2ccoc2)no1)Cc1cc(Br)ccc1[O-] ZINC000174426440 865791200 /nfs/dbraw/zinc/79/12/00/865791200.db2.gz GKUHRYAHABCUAT-UHFFFAOYSA-N -1 3 378.226 3.820 20 10 GHCDHM Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c([O-])c1 ZINC000743735578 868400383 /nfs/dbraw/zinc/40/03/83/868400383.db2.gz IZJHURSGMMSGMB-CQSZACIVSA-N -1 3 376.403 3.701 20 10 GHCDHM Cc1cc(CCNC(=O)c2cc(=O)c3ccccc3[n-]2)c(C)n1-c1ccccc1 ZINC000746424797 870654884 /nfs/dbraw/zinc/65/48/84/870654884.db2.gz OKUUXFJNHAPSMS-UHFFFAOYSA-N -1 3 385.467 3.908 20 10 GHCDHM O=[N+]([O-])c1cc(Cl)cc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1[O-] ZINC000768162138 873122413 /nfs/dbraw/zinc/12/24/13/873122413.db2.gz MAXAQOGWKZGGHZ-INIZCTEOSA-N -1 3 392.839 3.841 20 10 GHCDHM O=[N+]([O-])c1cc(Cl)cc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1[O-] ZINC000768162138 873122417 /nfs/dbraw/zinc/12/24/17/873122417.db2.gz MAXAQOGWKZGGHZ-INIZCTEOSA-N -1 3 392.839 3.841 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCOc3cc(Br)ccc3C2)c1[O-] ZINC001196450685 873134919 /nfs/dbraw/zinc/13/49/19/873134919.db2.gz JIDDLZZLLIOAKL-UHFFFAOYSA-N -1 3 394.240 3.891 20 10 GHCDHM Cc1cc(C)c(C(=O)NC2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)o1 ZINC000527587981 873325689 /nfs/dbraw/zinc/32/56/89/873325689.db2.gz PCSHHCXWPZJYJA-UHFFFAOYSA-N -1 3 380.847 3.789 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccc(OC(F)F)cn1 ZINC001197931784 874118652 /nfs/dbraw/zinc/11/86/52/874118652.db2.gz IZQCMVROTGZCRN-UHFFFAOYSA-N -1 3 379.750 3.520 20 10 GHCDHM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000770378097 874618918 /nfs/dbraw/zinc/61/89/18/874618918.db2.gz GRVMBTIQEJBFIZ-SMDDNHRTSA-N -1 3 399.875 3.831 20 10 GHCDHM Cc1ccc(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)c([O-])c1O ZINC000770486534 874729138 /nfs/dbraw/zinc/72/91/38/874729138.db2.gz RIFPTEQAAXFHMC-UHFFFAOYSA-N -1 3 392.411 3.676 20 10 GHCDHM Cc1cnn(-c2ccncc2NCc2cc(Br)cc(F)c2[O-])c1 ZINC001201802651 875869957 /nfs/dbraw/zinc/86/99/57/875869957.db2.gz BCZBXHIEZUFYGG-UHFFFAOYSA-N -1 3 377.217 3.795 20 10 GHCDHM COC[C@H](c1ccc(Cl)cc1)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000787332086 877318315 /nfs/dbraw/zinc/31/83/15/877318315.db2.gz LGRJGUCXMDOWQA-MRXNPFEDSA-N -1 3 380.828 3.782 20 10 GHCDHM C[C@@H](Nc1ccc2c(c1)CN(CC(N)=O)CC2)c1cc(Cl)c(Cl)cc1[O-] ZINC000788610190 878166737 /nfs/dbraw/zinc/16/67/37/878166737.db2.gz RZODRZFLAQOKLD-LLVKDONJSA-N -1 3 394.302 3.716 20 10 GHCDHM CCc1cc(=O)[n-]c(-c2ccc(N3CC=C(c4c[nH]c5ncccc45)CC3)nc2)n1 ZINC000068661994 878845678 /nfs/dbraw/zinc/84/56/78/878845678.db2.gz KIHRPPZPVJGUGK-UHFFFAOYSA-N -1 3 398.470 3.564 20 10 GHCDHM C[C@@H]1CN(Cc2cc(Br)cc(Br)c2[O-])CCC[C@H]1O ZINC001203563862 912404098 /nfs/dbraw/zinc/40/40/98/912404098.db2.gz AHRANBYZCWPQOR-NOZJJQNGSA-N -1 3 393.119 3.510 20 10 GHCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(OC[C@H]3CCCCO3)CC2)c1[O-] ZINC000093842131 912468584 /nfs/dbraw/zinc/46/85/84/912468584.db2.gz PMZBEXKCKCMFED-MRXNPFEDSA-N -1 3 384.860 3.504 20 10 GHCDHM O=C(NC1CCN(Cc2ccc(F)c(F)c2[O-])CC1)OCc1ccccc1 ZINC001183395381 912476160 /nfs/dbraw/zinc/47/61/60/912476160.db2.gz LUNLRPKTDPELDL-UHFFFAOYSA-N -1 3 376.403 3.561 20 10 GHCDHM COc1cc([C@H](C)NC(=O)c2cccc(O)c2[O-])ccc1OCc1ccncc1 ZINC000790547530 879805558 /nfs/dbraw/zinc/80/55/58/879805558.db2.gz WNUJAZQJVUDZCC-AWEZNQCLSA-N -1 3 394.427 3.571 20 10 GHCDHM O=C(Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1)Nc1ccccc1F ZINC000790639380 879877285 /nfs/dbraw/zinc/87/72/85/879877285.db2.gz DIEMXHDMULHHNF-UHFFFAOYSA-N -1 3 380.375 3.670 20 10 GHCDHM O=C1[C@@H](NCc2c([O-])ccc(Cl)c2F)CCN1CCCc1ccccc1 ZINC000790972015 880134334 /nfs/dbraw/zinc/13/43/34/880134334.db2.gz BMRAJZJWJCFBQH-KRWDZBQOSA-N -1 3 376.859 3.508 20 10 GHCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC(n2cc(Br)cn2)CC1 ZINC000792167940 880959126 /nfs/dbraw/zinc/95/91/26/880959126.db2.gz UIORPRHLRKTPBQ-UHFFFAOYSA-N -1 3 388.668 3.981 20 10 GHCDHM CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792170220 880960660 /nfs/dbraw/zinc/96/06/60/880960660.db2.gz QCYQTQWIONNHGW-LLVKDONJSA-N -1 3 396.812 3.808 20 10 GHCDHM Cc1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c(Cl)n1 ZINC000761982463 885086049 /nfs/dbraw/zinc/08/60/49/885086049.db2.gz LRWNCEXSNSXMPN-HNNXBMFYSA-N -1 3 394.302 3.797 20 10 GHCDHM CCCCOc1ccc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c([O-])c1 ZINC001183962786 912928090 /nfs/dbraw/zinc/92/80/90/912928090.db2.gz GAZSYTVRTLEIFX-INIZCTEOSA-N -1 3 384.476 3.588 20 10 GHCDHM C[C@H]1CN(Cc2cccc(Br)c2[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000862485328 886406678 /nfs/dbraw/zinc/40/66/78/886406678.db2.gz KSCWDTBLVVDZFC-GXTWGEPZSA-N -1 3 384.314 3.954 20 10 GHCDHM COc1cc(Br)ccc1[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000862771551 886591713 /nfs/dbraw/zinc/59/17/13/886591713.db2.gz GNQFRRQJFSRUEY-CQSZACIVSA-N -1 3 392.249 3.846 20 10 GHCDHM CCOC(=O)c1cc2cc(S(=O)(=O)[N-]c3ccc(O)c(C)c3)ccc2s1 ZINC000794591882 887573463 /nfs/dbraw/zinc/57/34/63/887573463.db2.gz FZOIIWXFHXCAJT-UHFFFAOYSA-N -1 3 391.470 3.893 20 10 GHCDHM COC(=O)c1ccc(CNCc2cccc(Cl)c2[O-])c(Br)c1 ZINC000809753118 887793862 /nfs/dbraw/zinc/79/38/62/887793862.db2.gz ASDCWEOAUIQTMN-UHFFFAOYSA-N -1 3 384.657 3.885 20 10 GHCDHM O=C(OCC1CC1)c1cnc(NCc2cc(Cl)c3cccnc3c2[O-])cn1 ZINC001168521779 890285771 /nfs/dbraw/zinc/28/57/71/890285771.db2.gz KHBUXGBYGFBZGY-UHFFFAOYSA-N -1 3 384.823 3.563 20 10 GHCDHM CC(=O)c1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cs1 ZINC000815834853 894247823 /nfs/dbraw/zinc/24/78/23/894247823.db2.gz CJWXVSPNXQVFCM-INIZCTEOSA-N -1 3 392.908 3.704 20 10 GHCDHM C[C@H](NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1c([O-])cccc1F ZINC000886607820 901187331 /nfs/dbraw/zinc/18/73/31/901187331.db2.gz ZHICXBWWYOMASO-WHEQGISXSA-N -1 3 397.450 3.607 20 10 GHCDHM [O-]c1cc(F)c(Br)cc1CN1CCC[C@@H](Oc2cccnc2)C1 ZINC001144299541 901649633 /nfs/dbraw/zinc/64/96/33/901649633.db2.gz ABAUXXXTYPUHIP-CQSZACIVSA-N -1 3 381.245 3.732 20 10 GHCDHM COc1cc(CN(C)Cc2cc(Br)c(F)cc2[O-])cc(OC)c1 ZINC001144299725 901651691 /nfs/dbraw/zinc/65/16/91/901651691.db2.gz HKPJPUMSIXNYLE-UHFFFAOYSA-N -1 3 384.245 3.943 20 10 GHCDHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc(O)c2[O-])[C@@H]1c1ccccc1 ZINC001148220043 904009798 /nfs/dbraw/zinc/00/97/98/904009798.db2.gz MZMYZQWLTWCLOH-AEFFLSMTSA-N -1 3 398.459 3.578 20 10 GHCDHM CC[C@H]1Cc2c(Br)cccc2CN1C(=O)c1cccc(O)c1[O-] ZINC000773080697 904416302 /nfs/dbraw/zinc/41/63/02/904416302.db2.gz YOBRUPVLVXNNJT-LBPRGKRZSA-N -1 3 376.250 3.837 20 10 GHCDHM COc1c([O-])c(CNc2cnn(Cc3ccc(Cl)cc3)c2)ccc1[N+](=O)[O-] ZINC000775052552 914818622 /nfs/dbraw/zinc/81/86/22/914818622.db2.gz TVFHWKDGBHNKQX-UHFFFAOYSA-N -1 3 388.811 3.819 20 10 GHCDHM Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1Cc1cc(F)ccc1[O-] ZINC000779611210 907878232 /nfs/dbraw/zinc/87/82/32/907878232.db2.gz FOSMSHRDDFMLHZ-NRFANRHFSA-N -1 3 395.478 3.966 20 10 GHCDHM COC(=O)CN(Cc1ccc(Cl)cc1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000750819240 927872725 /nfs/dbraw/zinc/87/27/25/927872725.db2.gz MVWRIIDQFDJOFE-UHFFFAOYSA-N -1 3 379.815 3.563 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](OCc3c(C)noc3C)C2)c1[O-] ZINC000375170667 928001730 /nfs/dbraw/zinc/00/17/30/928001730.db2.gz ILGBSWFWUGGADB-INIZCTEOSA-N -1 3 378.856 3.644 20 10 GHCDHM COc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1OCc1ccncc1 ZINC000751534372 928236865 /nfs/dbraw/zinc/23/68/65/928236865.db2.gz VZMWCDHIESUWSV-UHFFFAOYSA-N -1 3 380.400 3.641 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)c([O-])c1O ZINC000780895747 930631113 /nfs/dbraw/zinc/63/11/13/930631113.db2.gz DVDGBFGAYTVRSK-UHFFFAOYSA-N -1 3 394.402 3.728 20 10 GHCDHM C[C@@H]([NH2+]CC1(N[C@@H](C)c2ccccc2)CCOCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593210188 994244245 /nfs/dbraw/zinc/24/42/45/994244245.db2.gz NIOVNIMUCWODJR-DLBZAZTESA-N -1 3 398.503 3.641 20 10 GHCDHM C[C@H]([NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593225797 994349082 /nfs/dbraw/zinc/34/90/82/994349082.db2.gz YGQHCMWKYZFYED-QEJZJMRPSA-N -1 3 378.469 3.577 20 10 GHCDHM C[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593274207 994624233 /nfs/dbraw/zinc/62/42/33/994624233.db2.gz JWHIVFDUTLDMBG-LLVKDONJSA-N -1 3 387.823 3.687 20 10 GHCDHM CC/C=C\CCOC(=O)[C@H](C)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227938935 1032705728 /nfs/dbraw/zinc/70/57/28/1032705728.db2.gz ZZPCEOJIUJHTRJ-XVWMLYKFSA-N -1 3 384.428 3.996 20 10 GHCDHM COC(=O)C[C@H]1CCC[C@@H](Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)C1 ZINC001227940964 1032706418 /nfs/dbraw/zinc/70/64/18/1032706418.db2.gz PSFBFRMWOULVFU-GOEBONIOSA-N -1 3 384.428 3.830 20 10 GHCDHM CCOC(=O)Cc1cnc(NCc2cc(C)cc(Br)c2[O-])s1 ZINC000834482361 1021217616 /nfs/dbraw/zinc/21/76/16/1021217616.db2.gz GHYJQYAESIHCLB-UHFFFAOYSA-N -1 3 385.283 3.637 20 10 GHCDHM O=C(NC[C@@H]1CCCCN1Cc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC001204608241 1032992147 /nfs/dbraw/zinc/99/21/47/1032992147.db2.gz FSVGJNIUBZIDTM-HNNXBMFYSA-N -1 3 376.859 3.969 20 10 GHCDHM CS(=O)(=O)c1cccc([C@H]2CCCN(Cc3ccc(Cl)cc3[O-])C2)c1 ZINC001140464659 1021756949 /nfs/dbraw/zinc/75/69/49/1021756949.db2.gz ZDOXZHMQEGQQCN-HNNXBMFYSA-N -1 3 379.909 3.829 20 10 GHCDHM [O-]c1cc(Cl)ccc1CN1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001140465142 1021757350 /nfs/dbraw/zinc/75/73/50/1021757350.db2.gz JLEFIFMMHOFQMF-IDHHARJASA-N -1 3 394.924 3.698 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2nccn2CCCc2ccccc2)c1 ZINC000756650273 1023754049 /nfs/dbraw/zinc/75/40/49/1023754049.db2.gz VGNKZWNAFKUWTB-QGZVFWFLSA-N -1 3 393.487 3.859 20 10 GHCDHM CCN1CCN(Cc2ccc(N[C@@H](C)c3cc([N+](=O)[O-])ccc3[O-])cc2)CC1 ZINC000756806248 1023822039 /nfs/dbraw/zinc/82/20/39/1023822039.db2.gz YQDYLHZFRBVVHF-INIZCTEOSA-N -1 3 384.480 3.611 20 10 GHCDHM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cccc(F)c2[O-])C[C@@H]1C(F)(F)F ZINC001138131061 1024185701 /nfs/dbraw/zinc/18/57/01/1024185701.db2.gz OFXJWWRALQZBQA-GXTWGEPZSA-N -1 3 392.393 3.809 20 10 GHCDHM CCOC(=O)[C@@H]1CCCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141374481 1024767440 /nfs/dbraw/zinc/76/74/40/1024767440.db2.gz JOPOITCRQYQEGS-LLVKDONJSA-N -1 3 390.705 3.973 20 10 GHCDHM O=C(OCc1ccccc1)[C@@H]1CCCN1Cc1c([O-])cccc1Br ZINC001140098502 1026874812 /nfs/dbraw/zinc/87/48/12/1026874812.db2.gz CEOLACCFJYTOGF-KRWDZBQOSA-N -1 3 390.277 3.863 20 10 GHCDHM NC(=O)Cc1cccc(C(=O)c2ccccc2)c1Nc1cc(F)c([O-])c(F)c1 ZINC001213384535 1028152534 /nfs/dbraw/zinc/15/25/34/1028152534.db2.gz RGVDQBURWIXRGA-UHFFFAOYSA-N -1 3 382.366 3.673 20 10 GHCDHM Cc1ccc([C@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000841794511 1028941221 /nfs/dbraw/zinc/94/12/21/1028941221.db2.gz HTXWIUHUHOBRHW-FQEVSTJZSA-N -1 3 383.448 3.809 20 10 GHCDHM COc1cc(-c2noc(-c3cccc(O)c3[O-])n2)cc(Br)c1OC ZINC001215145665 1029058931 /nfs/dbraw/zinc/05/89/31/1029058931.db2.gz ASRMLAPJSJWWIE-UHFFFAOYSA-N -1 3 393.193 3.595 20 10 GHCDHM O=S(=O)(c1cccc(NCc2c([O-])cccc2Cl)c1)C1CCOCC1 ZINC000842217474 1029158655 /nfs/dbraw/zinc/15/86/55/1029158655.db2.gz AIWJKPWAUNDAAA-UHFFFAOYSA-N -1 3 381.881 3.610 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2cnn(CC(=O)OC(C)(C)C)c2)c1 ZINC000842716437 1029527053 /nfs/dbraw/zinc/52/70/53/1029527053.db2.gz OVSJBOFJPVDABH-UHFFFAOYSA-N -1 3 396.285 3.613 20 10 GHCDHM COc1cc(CN[C@@H](C)c2cc(F)cc(F)c2[O-])c(Br)cc1O ZINC000842930806 1029693927 /nfs/dbraw/zinc/69/39/27/1029693927.db2.gz KYSFTSZGBYCAMQ-QMMMGPOBSA-N -1 3 388.208 3.998 20 10 GHCDHM COc1cnc(-c2noc(-c3ccc([O-])c(O)c3Cl)n2)c(Br)c1 ZINC001216953956 1030026273 /nfs/dbraw/zinc/02/62/73/1030026273.db2.gz KYHUHVDWJCVZCH-UHFFFAOYSA-N -1 3 398.600 3.634 20 10 GHCDHM COc1ncc(-c2noc(-c3ccc([O-])c(O)c3Cl)n2)cc1Br ZINC001216954286 1030027472 /nfs/dbraw/zinc/02/74/72/1030027472.db2.gz VFARMHPIAQDHMO-UHFFFAOYSA-N -1 3 398.600 3.634 20 10 GHCDHM Cc1cc(C(=O)N2Cc3nc(C)[n-]c(=O)c3C2)c(C)n1-c1ccc(Cl)cc1 ZINC001149670137 1030264144 /nfs/dbraw/zinc/26/41/44/1030264144.db2.gz BHJPJFRQPBKTBJ-UHFFFAOYSA-N -1 3 382.851 3.708 20 10 GHCDHM CCOC(=O)c1cnc(CC)nc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001157727342 1033742481 /nfs/dbraw/zinc/74/24/81/1033742481.db2.gz KABSUZCBPRZCPN-UHFFFAOYSA-N -1 3 386.839 3.735 20 10 GHCDHM CC[C@H](C)N1CC[C@]2(CCCN2Cc2cc(C)cc(Br)c2[O-])C1=O ZINC001277541776 1034763072 /nfs/dbraw/zinc/76/30/72/1034763072.db2.gz ZIEVCVUPVBWVNK-IFXJQAMLSA-N -1 3 395.341 3.829 20 10 GHCDHM [O-]c1c(CN2CCn3cc(CN4CCCCC4)nc3C2)ccc2ccccc21 ZINC001231881130 1034964577 /nfs/dbraw/zinc/96/45/77/1034964577.db2.gz URPHFBBCGDPAAI-UHFFFAOYSA-N -1 3 376.504 3.744 20 10 GHCDHM [O-]c1c(CN2CCn3c(Cc4ccc(F)cc4)nnc3C2)ccc2ccccc21 ZINC001231880473 1034964777 /nfs/dbraw/zinc/96/47/77/1034964777.db2.gz GLTQATQGDNLACG-UHFFFAOYSA-N -1 3 388.446 3.883 20 10 GHCDHM COc1ccc(CN2CC3(C2)CCCCC3)c([O-])c1I ZINC001248494168 1035913022 /nfs/dbraw/zinc/91/30/22/1035913022.db2.gz LKQVAEGJNLFBAJ-UHFFFAOYSA-N -1 3 387.261 3.772 20 10 GHCDHM COc1cc([O-])c(CN2CCN(c3ccc4ccccc4n3)CC2)cc1Cl ZINC001232267847 1037989624 /nfs/dbraw/zinc/98/96/24/1037989624.db2.gz IFHFPRZHCGEJAB-UHFFFAOYSA-N -1 3 383.879 3.925 20 10 GHCDHM COc1cc([O-])c(CN2Cc3ncn(C)c3[C@H](COCC(C)C)C2)cc1Cl ZINC001232268963 1037991852 /nfs/dbraw/zinc/99/18/52/1037991852.db2.gz XFXJLLAHCDYEKG-HNNXBMFYSA-N -1 3 393.915 3.560 20 10 GHCDHM CCOC(=O)c1sc(-c2ccc([O-])c(CN3CCC(=O)C[C@@H]3C)c2)nc1C ZINC001232452682 1038236610 /nfs/dbraw/zinc/23/66/10/1038236610.db2.gz ZCHRKSDTJSGXRI-LBPRGKRZSA-N -1 3 388.489 3.554 20 10 GHCDHM [O-]c1c(CN2CCN(c3noc4ccccc43)CC2)cccc1C(F)(F)F ZINC001233415670 1039269447 /nfs/dbraw/zinc/26/94/47/1039269447.db2.gz FDCJIJYSYVIEDH-UHFFFAOYSA-N -1 3 377.366 3.874 20 10 GHCDHM CC(C)COC[C@H]1CN(Cc2ccc(C(F)(F)F)cc2[O-])Cc2ncn(C)c21 ZINC001233452697 1039336516 /nfs/dbraw/zinc/33/65/16/1039336516.db2.gz HHIGSTGDGFBFAN-OAHLLOKOSA-N -1 3 397.441 3.917 20 10 GHCDHM CC(C)(C)OC(=O)CC[C@@H]1COCCN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233455296 1039345389 /nfs/dbraw/zinc/34/53/89/1039345389.db2.gz FCJUSRDJHQCDAH-OAHLLOKOSA-N -1 3 389.414 3.734 20 10 GHCDHM O=C1c2ccccc2C(=O)c2cc(NC[C@@H](O)c3ccc(F)c(F)c3)c([O-])cc21 ZINC001253366160 1039578967 /nfs/dbraw/zinc/57/89/67/1039578967.db2.gz MEPAHBVMYRUNSU-HXUWFJFHSA-N -1 3 395.361 3.591 20 10 GHCDHM O=C(N1CCN(Cc2ccc(Cl)cc2[O-])CC12CCCCC2)C(F)(F)F ZINC001462389953 1070221042 /nfs/dbraw/zinc/22/10/42/1070221042.db2.gz IFBXSFPDQPFVAT-UHFFFAOYSA-N -1 3 390.833 3.955 20 10 GHCDHM COc1c(OC[C@H]2CCC=CO2)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234127757 1039870318 /nfs/dbraw/zinc/87/03/18/1039870318.db2.gz UXIMRYQVULVTQU-CYBMUJFWSA-N -1 3 380.396 3.556 20 10 GHCDHM [O-]c1c(F)cc(Br)cc1CN1CCc2ncnc(C3CC3)c2CC1 ZINC001235061157 1040549547 /nfs/dbraw/zinc/54/95/47/1040549547.db2.gz OOAHNTXBTWNGPL-UHFFFAOYSA-N -1 3 392.272 3.562 20 10 GHCDHM O=C(C1CCN(Cc2cc(F)cc(Br)c2[O-])CC1)N1CCCCC1 ZINC001235301388 1040776061 /nfs/dbraw/zinc/77/60/61/1040776061.db2.gz GXRCGSDFDGEQTQ-UHFFFAOYSA-N -1 3 399.304 3.518 20 10 GHCDHM [O-]c1c(Br)cc(Cl)cc1CN1CCN[C@H](c2ccccc2)C1 ZINC001235856742 1041385017 /nfs/dbraw/zinc/38/50/17/1041385017.db2.gz ZYZFYNRBUPHMGK-INIZCTEOSA-N -1 3 381.701 3.955 20 10 GHCDHM COc1cccnc1O[C@H]1CCN(Cc2cc(C)cc(Br)c2[O-])C1 ZINC001236671469 1041819702 /nfs/dbraw/zinc/81/97/02/1041819702.db2.gz VPHZXMUBDFRGTA-AWEZNQCLSA-N -1 3 393.281 3.520 20 10 GHCDHM COc1cc([O-])c(CN2CC3(C2)CCCN(C(=O)OC(C)(C)C)C3)c(Cl)c1 ZINC001236798060 1041901688 /nfs/dbraw/zinc/90/16/88/1041901688.db2.gz KWVOSAMDEBMCGX-UHFFFAOYSA-N -1 3 396.915 3.887 20 10 GHCDHM COc1cc([O-])c(CN2CCCN(C(=O)C3CCCCC3)CC2)c(Cl)c1 ZINC001236809666 1041910702 /nfs/dbraw/zinc/91/07/02/1041910702.db2.gz XERHZIVMOSVZSR-UHFFFAOYSA-N -1 3 380.916 3.669 20 10 GHCDHM O=C1OC2(CCN(Cc3c([O-])ccc(Cl)c3Cl)CC2)c2cnccc21 ZINC001237084895 1042028438 /nfs/dbraw/zinc/02/84/38/1042028438.db2.gz QMYVGQKFHHFSRG-UHFFFAOYSA-N -1 3 379.243 3.756 20 10 GHCDHM O=C1Nc2ccccc2C2(CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)N1 ZINC001237621565 1042288720 /nfs/dbraw/zinc/28/87/20/1042288720.db2.gz CJQIQMAFAICVGB-UHFFFAOYSA-N -1 3 375.831 3.811 20 10 GHCDHM Cc1cc([O-])c(CN2[C@@H](CO)CCC[C@H]2C(F)(F)F)cc1Br ZINC001237675811 1042317561 /nfs/dbraw/zinc/31/75/61/1042317561.db2.gz BNHWVONSPUAQRU-RISCZKNCSA-N -1 3 382.220 3.741 20 10 GHCDHM [O-]c1c(I)cccc1CN1CCCc2ccccc2C1 ZINC001237780605 1042365700 /nfs/dbraw/zinc/36/57/00/1042365700.db2.gz PSEJCNULAVEVPY-UHFFFAOYSA-N -1 3 379.241 3.945 20 10 GHCDHM [O-]c1c(CN2CC[C@]3(CCOC3)C2)cc(Br)cc1C(F)(F)F ZINC001237783310 1042367628 /nfs/dbraw/zinc/36/76/28/1042367628.db2.gz HITBSSURGIFGKD-AWEZNQCLSA-N -1 3 380.204 3.786 20 10 GHCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746666767 1046150059 /nfs/dbraw/zinc/15/00/59/1046150059.db2.gz UZULZLUIYPMNBB-UHFFFAOYSA-N -1 3 399.230 3.782 20 10 GHCDHM CCOCCCn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@H](C)C1 ZINC001263352876 1046737091 /nfs/dbraw/zinc/73/70/91/1046737091.db2.gz KPZBFNFCIZQJKZ-ZDUSSCGKSA-N -1 3 387.509 3.533 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC001303878590 1047526671 /nfs/dbraw/zinc/52/66/71/1047526671.db2.gz ODEMXOWKPBKJPE-UHFFFAOYSA-N -1 3 388.402 3.709 20 10 GHCDHM Cn1ccnc1[C@@H](NC(=O)NCc1c([O-])cccc1F)c1ccc(Cl)cc1 ZINC001311588436 1052267394 /nfs/dbraw/zinc/26/73/94/1052267394.db2.gz BKEGFVKMPPVWCY-KRWDZBQOSA-N -1 3 388.830 3.507 20 10 GHCDHM O=C([N-]c1c2nonc2ccc1Cl)c1cc(Br)ncc1Cl ZINC001342953705 1053456845 /nfs/dbraw/zinc/45/68/45/1053456845.db2.gz YOLOVXXRERIJRF-UHFFFAOYSA-N -1 3 388.008 3.939 20 10 GHCDHM CCN(CC)c1nc2sc(C(=O)NCc3c([O-])cccc3F)cc2s1 ZINC001456093861 1062479864 /nfs/dbraw/zinc/47/98/64/1062479864.db2.gz OQHAOSPFBAQATA-UHFFFAOYSA-N -1 3 379.482 3.979 20 10 GHCDHM CN(c1ccc(CNC(=O)c2cc3c(cc2[O-])OCO3)cc1)C1CCCCC1 ZINC001464534606 1065067579 /nfs/dbraw/zinc/06/75/79/1065067579.db2.gz FKQSQKAIVNRSFF-UHFFFAOYSA-N -1 3 382.460 3.820 20 10 GHCDHM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001466790962 1066317000 /nfs/dbraw/zinc/31/70/00/1066317000.db2.gz NDGHYMGGPWFLGC-OAHLLOKOSA-N -1 3 377.440 3.755 20 10 GHCDHM COC(=O)c1cc(Oc2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc2)ccn1 ZINC001471893115 1073247570 /nfs/dbraw/zinc/24/75/70/1073247570.db2.gz YPXYXMHQVLIZDG-UHFFFAOYSA-N -1 3 394.383 3.632 20 10 GHCDHM CCc1cnc(NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)s1 ZINC000821499250 599195095 /nfs/dbraw/zinc/19/50/95/599195095.db2.gz GHQIEPFTGCUAKB-UHFFFAOYSA-N -1 3 393.476 3.545 20 10 GHCDHM Cc1cc(C(=O)N2CCC3(CCCC3)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168457 599207448 /nfs/dbraw/zinc/20/74/48/599207448.db2.gz MZJXTHMXICYQHS-UHFFFAOYSA-N -1 3 390.491 3.681 20 10 GHCDHM CC1CCN(c2ccc(CNc3ncc(-c4nnn[n-]4)cc3Cl)cc2)CC1 ZINC000736280285 598503386 /nfs/dbraw/zinc/50/33/86/598503386.db2.gz PPMVNPXEKJVPND-UHFFFAOYSA-N -1 3 383.887 3.764 20 10 GHCDHM CC1CCN(c2ccc(CNc3ncc(-c4nn[n-]n4)cc3Cl)cc2)CC1 ZINC000736280285 598503388 /nfs/dbraw/zinc/50/33/88/598503388.db2.gz PPMVNPXEKJVPND-UHFFFAOYSA-N -1 3 383.887 3.764 20 10 GHCDHM Brc1cc(-c2nn[n-]n2)ccc1NCCCSc1nccs1 ZINC000823827186 607990360 /nfs/dbraw/zinc/99/03/60/607990360.db2.gz WDNYSIOMRAQJJF-UHFFFAOYSA-N -1 3 397.327 3.680 20 10 GHCDHM O=C(Nc1ccc(Cl)cn1)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893962752 844277129 /nfs/dbraw/zinc/27/71/29/844277129.db2.gz QIKPOQKJHWVWHZ-UHFFFAOYSA-N -1 3 381.810 3.570 20 10 GHCDHM COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000728939130 844459726 /nfs/dbraw/zinc/45/97/26/844459726.db2.gz YNNYCJIBEGVLFW-GFCCVEGCSA-N -1 3 394.431 3.755 20 10 GHCDHM COc1c([O-])c(CN[C@H](C)c2nc(C(F)(F)F)cs2)ccc1[N+](=O)[O-] ZINC000279041258 842503585 /nfs/dbraw/zinc/50/35/85/842503585.db2.gz OOPNVTSQXIHURY-SSDOTTSWSA-N -1 3 377.344 3.635 20 10 GHCDHM O=C(COC(=O)c1cncc([O-])c1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000731916694 861958494 /nfs/dbraw/zinc/95/84/94/861958494.db2.gz YLZFAQQOQSACRT-UHFFFAOYSA-N -1 3 376.372 3.998 20 10 GHCDHM Cc1cc(CCNC(=O)NCc2ccc([O-])c(F)c2)c(C)n1-c1ccccc1 ZINC000738971937 865669385 /nfs/dbraw/zinc/66/93/85/865669385.db2.gz YJLNOQLXHXHUBW-UHFFFAOYSA-N -1 3 381.451 3.981 20 10 GHCDHM COc1ccc(N2CC[C@H](CNC(=O)c3cc([O-])cc(C(F)(F)F)c3)C2)cc1 ZINC000857294593 882180533 /nfs/dbraw/zinc/18/05/33/882180533.db2.gz IOQCGMUHKJZIRI-CYBMUJFWSA-N -1 3 394.393 3.676 20 10 GHCDHM Cc1ccc(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)c([O-])c1O ZINC000182455116 872375888 /nfs/dbraw/zinc/37/58/88/872375888.db2.gz ZUFAYLZKAYTOPZ-HHHXNRCGSA-N -1 3 381.453 3.966 20 10 GHCDHM O=C(N1CCN(Cc2cc(Cl)ccc2[O-])CC1)C12CC3CC(CC(C3)C1)C2 ZINC000768227285 873177619 /nfs/dbraw/zinc/17/76/19/873177619.db2.gz FWMORZKUBFCVPM-UHFFFAOYSA-N -1 3 388.939 3.906 20 10 GHCDHM O=C(Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)c1cccc(O)c1[O-] ZINC000804384016 882764046 /nfs/dbraw/zinc/76/40/46/882764046.db2.gz MMKMELUMGYWZHQ-UHFFFAOYSA-N -1 3 397.334 3.767 20 10 GHCDHM CN(C[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1)C(=O)OC(C)(C)C ZINC000769331070 873969870 /nfs/dbraw/zinc/96/98/70/873969870.db2.gz GMQQMKLKUSSRNG-LBPRGKRZSA-N -1 3 399.875 3.643 20 10 GHCDHM C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000769425964 874046408 /nfs/dbraw/zinc/04/64/08/874046408.db2.gz RUSLLSYCXZABCP-BXUZGUMPSA-N -1 3 399.875 3.689 20 10 GHCDHM C[C@@H](NCc1c(C(F)(F)F)cnn1C)c1cc(Br)c(F)cc1[O-] ZINC000858452589 883109496 /nfs/dbraw/zinc/10/94/96/883109496.db2.gz MECZPWVDIWAASD-SSDOTTSWSA-N -1 3 396.182 3.897 20 10 GHCDHM CN1Cc2cc(NCc3cc(Cl)c4cccnc4c3[O-])cc([N+](=O)[O-])c2N1 ZINC001168525530 877503846 /nfs/dbraw/zinc/50/38/46/877503846.db2.gz FQHWNCQCJHWHOZ-UHFFFAOYSA-N -1 3 385.811 3.886 20 10 GHCDHM CCN(CC(=O)Nc1ccccc1OC)Cc1c([O-])cccc1Br ZINC000862210573 886210135 /nfs/dbraw/zinc/21/01/35/886210135.db2.gz PIETXEYTGBIZDH-UHFFFAOYSA-N -1 3 393.281 3.624 20 10 GHCDHM CCS[C@@H](C)c1noc(CN(C)Cc2c([O-])cccc2Br)n1 ZINC000862251970 886255262 /nfs/dbraw/zinc/25/52/62/886255262.db2.gz ALFKJFYPPLQPFZ-JTQLQIEISA-N -1 3 386.315 3.984 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCCC[C@H]2COC(=O)N(C)C)c1 ZINC000809709168 887728454 /nfs/dbraw/zinc/72/84/54/887728454.db2.gz OGWXVFVVYMUUFJ-AWEZNQCLSA-N -1 3 385.302 3.516 20 10 GHCDHM O=S(=O)(CCc1ccccc1Br)Nc1ccc([O-])c(Cl)c1 ZINC000812270277 890491631 /nfs/dbraw/zinc/49/16/31/890491631.db2.gz BANGFLZTXOVGHB-UHFFFAOYSA-N -1 3 390.686 3.793 20 10 GHCDHM [O-]c1cc(Br)ccc1CN1CCC(Oc2ncccc2F)CC1 ZINC000825716049 892050634 /nfs/dbraw/zinc/05/06/34/892050634.db2.gz MSXATZYQEITIQU-UHFFFAOYSA-N -1 3 381.245 3.732 20 10 GHCDHM [O-]c1cc(F)c(Cl)cc1CNCc1cc2c(cc1OC(F)F)OCO2 ZINC000816556556 894941482 /nfs/dbraw/zinc/94/14/82/894941482.db2.gz MNIXWBMPVMKGCE-UHFFFAOYSA-N -1 3 375.730 3.805 20 10 GHCDHM CN1CCO[C@@H]([C@H](NCc2cc(Cl)c(F)cc2[O-])c2ccc(Cl)cc2)C1 ZINC000816559892 894944601 /nfs/dbraw/zinc/94/46/01/894944601.db2.gz YEUACOHJKPYSML-RTBURBONSA-N -1 3 399.293 4.000 20 10 GHCDHM CC(C)(C)OC(=O)NCC[C@H]1CN(C(=O)c2cccc(O)c2[O-])c2ccccc21 ZINC000887228344 901604114 /nfs/dbraw/zinc/60/41/14/901604114.db2.gz FUIVZLRLCORAEH-AWEZNQCLSA-N -1 3 398.459 3.757 20 10 GHCDHM [O-]c1cc(F)c(Br)cc1CN1CCN2CCc3ccccc3[C@H]2C1 ZINC001144308263 901700523 /nfs/dbraw/zinc/70/05/23/901700523.db2.gz UQIFNDVZSRSANS-GOSISDBHSA-N -1 3 391.284 3.709 20 10 GHCDHM COCCN(C(=O)OC(C)(C)C)C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000845998726 902578658 /nfs/dbraw/zinc/57/86/58/902578658.db2.gz NUWPLUSVMMWVGV-UHFFFAOYSA-N -1 3 398.931 3.894 20 10 GHCDHM COc1c([O-])c(CNc2ccc(C(=O)NC3CCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000845991946 902578927 /nfs/dbraw/zinc/57/89/27/902578927.db2.gz KOPLGVUQAMYURB-UHFFFAOYSA-N -1 3 399.447 3.984 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccc(-c2ncc[nH]2)cc1 ZINC001148723492 904173477 /nfs/dbraw/zinc/17/34/77/904173477.db2.gz GBUUUKBUSPBOPN-UHFFFAOYSA-N -1 3 378.819 3.914 20 10 GHCDHM CCCCOc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c([O-])c1 ZINC000190033897 905495874 /nfs/dbraw/zinc/49/58/74/905495874.db2.gz MHEKUYGTZOQRJX-UHFFFAOYSA-N -1 3 398.503 3.680 20 10 GHCDHM Nc1ccc(OCCOc2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cc2)cc1 ZINC001175433121 907552393 /nfs/dbraw/zinc/55/23/93/907552393.db2.gz POPRARFJGXCNPC-UHFFFAOYSA-N -1 3 388.431 3.650 20 10 GHCDHM COC(=O)[C@H](NCc1cc(F)cc(C(C)=O)c1[O-])c1cccc(C(F)(F)F)c1 ZINC001175906758 907822123 /nfs/dbraw/zinc/82/21/23/907822123.db2.gz KRJUNQCDVQPISH-MRXNPFEDSA-N -1 3 399.340 3.757 20 10 GHCDHM COc1c([O-])c(CN2CCCc3cc(OC(F)F)ccc32)ccc1[N+](=O)[O-] ZINC000775063595 914878161 /nfs/dbraw/zinc/87/81/61/914878161.db2.gz UPYPQSQUHFTVDP-UHFFFAOYSA-N -1 3 380.347 3.863 20 10 GHCDHM CC(=O)Oc1cccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1C ZINC001189415421 916619444 /nfs/dbraw/zinc/61/94/44/916619444.db2.gz LEDDHQAINSOMOA-UHFFFAOYSA-N -1 3 384.819 3.758 20 10 GHCDHM COc1ccc([N-]S(=O)(=O)CCCF)c(C(=O)c2ccc(Cl)cc2)c1 ZINC001189905867 916983225 /nfs/dbraw/zinc/98/32/25/916983225.db2.gz DNWRRKMWXSCNHG-UHFFFAOYSA-N -1 3 385.844 3.681 20 10 GHCDHM O=C(Nc1ccc(O)cc1)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295338559 917274691 /nfs/dbraw/zinc/27/46/91/917274691.db2.gz MNGWJGDQFMJDIV-UHFFFAOYSA-N -1 3 378.831 3.741 20 10 GHCDHM CN(C)C(=O)CN(Cc1cc2oc3ccccc3c2cc1[O-])CC(F)(F)F ZINC000726960511 926957762 /nfs/dbraw/zinc/95/77/62/926957762.db2.gz BULWCWLVCUPBKX-UHFFFAOYSA-N -1 3 380.366 3.744 20 10 GHCDHM Cc1cc(C(=O)N2CCc3c(nc[n-]c3=O)C2)c(C)n1-c1cccc(C(C)C)c1 ZINC000752778561 929018487 /nfs/dbraw/zinc/01/84/87/929018487.db2.gz WKGXJHAZBAEKKZ-UHFFFAOYSA-N -1 3 390.487 3.912 20 10 GHCDHM Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)c([O-])c1O ZINC000780936243 930644294 /nfs/dbraw/zinc/64/42/94/930644294.db2.gz ZLWJUJZXRXSGAE-UHFFFAOYSA-N -1 3 397.818 3.959 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCc2c(O)cccc2C1 ZINC001121956676 934792168 /nfs/dbraw/zinc/79/21/68/934792168.db2.gz GPATYGIJMRYINR-UHFFFAOYSA-N -1 3 393.472 3.549 20 10 GHCDHM CCOC(=O)c1cc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)[n-]n1 ZINC001137978484 935903439 /nfs/dbraw/zinc/90/34/39/935903439.db2.gz JCSHTYDTXXQNHP-UHFFFAOYSA-N -1 3 386.839 3.900 20 10 GHCDHM CCOC(=O)c1cc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)n[n-]1 ZINC001137978484 935903443 /nfs/dbraw/zinc/90/34/43/935903443.db2.gz JCSHTYDTXXQNHP-UHFFFAOYSA-N -1 3 386.839 3.900 20 10 GHCDHM Brc1cc(NCc2ccc(N3CCCC3)cc2)ccc1-c1nnn[n-]1 ZINC001573280636 946665631 /nfs/dbraw/zinc/66/56/31/946665631.db2.gz VAVZAZZEFAHOBJ-UHFFFAOYSA-N -1 3 399.296 3.842 20 10 GHCDHM Brc1cc(NCc2ccc(N3CCCC3)cc2)ccc1-c1nn[n-]n1 ZINC001573280636 946665637 /nfs/dbraw/zinc/66/56/37/946665637.db2.gz VAVZAZZEFAHOBJ-UHFFFAOYSA-N -1 3 399.296 3.842 20 10 GHCDHM O=C([O-])c1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 ZINC000840994433 979292603 /nfs/dbraw/zinc/29/26/03/979292603.db2.gz SDCBTTNBHITJMF-UHFFFAOYSA-N -1 3 394.393 3.530 20 10 GHCDHM COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@](C(=O)[O-])(c4ccccc4)C3)c2c1 ZINC001599636987 994302924 /nfs/dbraw/zinc/30/29/24/994302924.db2.gz ZUCRGHLUDMEWMJ-QHCPKHFHSA-N -1 3 377.440 3.782 20 10 GHCDHM COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@](C(=O)[O-])(c4ccccc4)C3)c2c1 ZINC001599636987 994302927 /nfs/dbraw/zinc/30/29/27/994302927.db2.gz ZUCRGHLUDMEWMJ-QHCPKHFHSA-N -1 3 377.440 3.782 20 10 GHCDHM COc1ccc([C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C(=O)[O-])cc1 ZINC001599532111 997674466 /nfs/dbraw/zinc/67/44/66/997674466.db2.gz ODHYSIGSQWLKBK-JOCHJYFZSA-N -1 3 393.439 3.895 20 10 GHCDHM Cc1cc(N2CCN(Cc3c([O-])cccc3Cl)CC2)n(-c2ccccc2)n1 ZINC001140341989 1021453915 /nfs/dbraw/zinc/45/39/15/1021453915.db2.gz ODWXIFZPQXDOPV-UHFFFAOYSA-N -1 3 382.895 3.862 20 10 GHCDHM C[C@H]1c2ncc(COc3cccnc3)n2CCN1Cc1c([O-])cccc1Cl ZINC001140345273 1021459947 /nfs/dbraw/zinc/45/99/47/1021459947.db2.gz QYNBTIYUKXVTQK-AWEZNQCLSA-N -1 3 384.867 3.793 20 10 GHCDHM CCn1ncc2c1CN(Cc1ccc(Cl)cc1[O-])C[C@H]2COc1cccnc1 ZINC001140467377 1021762211 /nfs/dbraw/zinc/76/22/11/1021762211.db2.gz OWBSYYJOSCELIU-INIZCTEOSA-N -1 3 398.894 3.835 20 10 GHCDHM [O-]c1cc(F)cc(F)c1CN1CCCN(c2ncccc2C(F)(F)F)CC1 ZINC001140583777 1022005972 /nfs/dbraw/zinc/00/59/72/1022005972.db2.gz SAOKSCRVBWGOKX-UHFFFAOYSA-N -1 3 387.352 3.797 20 10 GHCDHM C[C@H](NCc1ccccc1S(=O)(=O)NC(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000756462824 1023665666 /nfs/dbraw/zinc/66/56/66/1023665666.db2.gz ANUAGIXUQZJOLK-LBPRGKRZSA-N -1 3 398.475 3.598 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(OC)c(N3CCCCC3=O)c2)c1 ZINC000756817843 1023825561 /nfs/dbraw/zinc/82/55/61/1023825561.db2.gz CVFFOBQHGLOFIC-AWEZNQCLSA-N -1 3 398.459 3.877 20 10 GHCDHM C[C@H]([NH2+]Cc1nnc(-c2ccccc2)[n-]1)c1cc(Br)c(F)cc1[O-] ZINC000756866794 1023840782 /nfs/dbraw/zinc/84/07/82/1023840782.db2.gz DIQJJAWXGIRTQJ-JTQLQIEISA-N -1 3 391.244 3.930 20 10 GHCDHM CCOC(=O)CC1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141367494 1024740247 /nfs/dbraw/zinc/74/02/47/1024740247.db2.gz CBVRMLJMZFWHRZ-UHFFFAOYSA-N -1 3 390.705 3.973 20 10 GHCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCN(c2cccc(Cl)c2)CC1 ZINC001139125549 1025937948 /nfs/dbraw/zinc/93/79/48/1025937948.db2.gz XHOUZAABJPBXGQ-UHFFFAOYSA-N -1 3 384.863 3.783 20 10 GHCDHM CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCCN2Cc1c([O-])cccc1Br ZINC001140100034 1026878378 /nfs/dbraw/zinc/87/83/78/1026878378.db2.gz BQUXNQVZJYSECI-GJZGRUSLSA-N -1 3 397.313 3.738 20 10 GHCDHM [O-]c1cccc(Br)c1CN1CCN(Cc2cccc(F)c2)CC1 ZINC001140101124 1026879029 /nfs/dbraw/zinc/87/90/29/1026879029.db2.gz JZWTUXPJUMWDRQ-UHFFFAOYSA-N -1 3 379.273 3.612 20 10 GHCDHM Cc1cc([O-])c(CN2CCCN(C(=O)c3cccc(F)c3)CC2)c(Cl)c1 ZINC000840910753 1027944959 /nfs/dbraw/zinc/94/49/59/1027944959.db2.gz RGDKXUUPNFTKQZ-UHFFFAOYSA-N -1 3 376.859 3.841 20 10 GHCDHM [O-]c1c(O)cccc1-c1nc(-c2cccc(-n3cc(Br)cn3)c2)no1 ZINC001215146037 1029058696 /nfs/dbraw/zinc/05/86/96/1029058696.db2.gz XXRMCKHCUVYJGD-UHFFFAOYSA-N -1 3 399.204 3.763 20 10 GHCDHM CCOc1ccc(Br)cc1-c1noc(-c2ccc(O)c(O)c2[O-])n1 ZINC001215325268 1029153793 /nfs/dbraw/zinc/15/37/93/1029153793.db2.gz JINRRBPIHQNOSB-UHFFFAOYSA-N -1 3 393.193 3.682 20 10 GHCDHM COc1cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(Br)cc1O ZINC000842930227 1029695062 /nfs/dbraw/zinc/69/50/62/1029695062.db2.gz FLPTUUUPGXSRRL-SECBINFHSA-N -1 3 397.225 3.628 20 10 GHCDHM Cc1nc2ncccc2cc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001149558358 1030223684 /nfs/dbraw/zinc/22/36/84/1030223684.db2.gz FYGLGRFPYQDVPL-UHFFFAOYSA-N -1 3 378.819 3.775 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cc2ccc(Cl)n2cn1 ZINC001152073917 1031096555 /nfs/dbraw/zinc/09/65/55/1031096555.db2.gz LWTOLHCZZNXLAT-UHFFFAOYSA-N -1 3 387.226 3.825 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)Nc1nnc(-c2c(F)cccc2F)s1 ZINC001219759148 1031599716 /nfs/dbraw/zinc/59/97/16/1031599716.db2.gz VGXNROWZHWBGRL-UHFFFAOYSA-N -1 3 380.351 3.650 20 10 GHCDHM O=C1CC[C@@H]2[C@@H](CCN2Cc2cc(F)cc(Cl)c2[O-])N1CC1CCCC1 ZINC001277509353 1034538041 /nfs/dbraw/zinc/53/80/41/1034538041.db2.gz FCSQENBQLYNDDV-QZTJIDSGSA-N -1 3 380.891 3.940 20 10 GHCDHM COc1ccc(OC)c(CN2CCN(Cc3cc(Cl)c(C)cc3[O-])CC2)c1 ZINC001231869330 1034956411 /nfs/dbraw/zinc/95/64/11/1034956411.db2.gz LOWKCGYVRYMPSS-UHFFFAOYSA-N -1 3 390.911 3.689 20 10 GHCDHM Cc1cc([O-])c(CN2CCN(C(=O)c3ccccc3Cl)CC2)cc1Cl ZINC001231871161 1034957378 /nfs/dbraw/zinc/95/73/78/1034957378.db2.gz ZYFLDDSAYULWMB-UHFFFAOYSA-N -1 3 379.287 3.965 20 10 GHCDHM COc1cc([O-])c(CN2CC[C@H]2c2ccccc2)cc1I ZINC001248472210 1035899742 /nfs/dbraw/zinc/89/97/42/1035899742.db2.gz SBIFLKRDRATWEB-HNNXBMFYSA-N -1 3 395.240 3.952 20 10 GHCDHM CC(C)OCCN(CCOC(C)C)Cc1c([O-])cc(Br)cc1F ZINC001233029724 1038780387 /nfs/dbraw/zinc/78/03/87/1038780387.db2.gz HEWUANRDKKGTPI-UHFFFAOYSA-N -1 3 392.309 3.946 20 10 GHCDHM [O-]c1cc(Br)cc(F)c1CN1CC[C@H](N2CCCCC2)[C@@H](F)C1 ZINC001233033946 1038789013 /nfs/dbraw/zinc/78/90/13/1038789013.db2.gz YWFIXHYJEKTNLK-HOTGVXAUSA-N -1 3 389.284 3.692 20 10 GHCDHM COc1cc([O-])c(CN2CCC(=O)[C@H](C)C23CCCC3)cc1Br ZINC001233141210 1038920374 /nfs/dbraw/zinc/92/03/74/1038920374.db2.gz FERLEMXNOPSIOL-LBPRGKRZSA-N -1 3 382.298 3.887 20 10 GHCDHM CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CN2Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233416568 1039271746 /nfs/dbraw/zinc/27/17/46/1039271746.db2.gz NDULYLFMDPBMFB-UKRRQHHQSA-N -1 3 386.414 3.852 20 10 GHCDHM CC(C)(C)OC(=O)N1CC[C@@]12CCN(Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001233416884 1039274484 /nfs/dbraw/zinc/27/44/84/1039274484.db2.gz ZZEGYAGVQZRVAN-GOSISDBHSA-N -1 3 386.414 3.996 20 10 GHCDHM C[C@@H]1CN(C(=O)c2ccccc2)CCN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233455818 1039349250 /nfs/dbraw/zinc/34/92/50/1039349250.db2.gz ZYSRNIOTSWRFFQ-CQSZACIVSA-N -1 3 378.394 3.758 20 10 GHCDHM COC(=O)[C@@H]1[C@H](c2ccccc2)OCCN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233456133 1039349638 /nfs/dbraw/zinc/34/96/38/1039349638.db2.gz MIAINZRSBABVJL-ROUUACIJSA-N -1 3 395.377 3.526 20 10 GHCDHM CCOC(=O)c1cnc2n1CCN(Cc1c([O-])ccc3ccc(OC)cc31)[C@@H]2C ZINC001234568990 1040136518 /nfs/dbraw/zinc/13/65/18/1040136518.db2.gz IHDHDROTOPFRPA-CQSZACIVSA-N -1 3 395.459 3.504 20 10 GHCDHM CO[C@@H](COc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12)c1ccccc1 ZINC001234748950 1040274460 /nfs/dbraw/zinc/27/44/60/1040274460.db2.gz OOPMCFYPNSSLIU-FQEVSTJZSA-N -1 3 394.379 3.830 20 10 GHCDHM CO[C@@H](COc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12)c1ccccc1 ZINC001234748950 1040274476 /nfs/dbraw/zinc/27/44/76/1040274476.db2.gz OOPMCFYPNSSLIU-FQEVSTJZSA-N -1 3 394.379 3.830 20 10 GHCDHM COc1cc2c(cc1OC)[C@H](NC(=O)NCc1c([O-])cccc1F)CCCC2 ZINC001254709297 1040467280 /nfs/dbraw/zinc/46/72/80/1040467280.db2.gz RQXBMRYUKPWORL-QGZVFWFLSA-N -1 3 388.439 3.815 20 10 GHCDHM CC(C)NC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001462480999 1070288743 /nfs/dbraw/zinc/28/87/43/1070288743.db2.gz LUGXSUNIEJDGRA-LLVKDONJSA-N -1 3 389.721 3.545 20 10 GHCDHM [O-]c1c(Br)cc(F)cc1CN1CCC(COc2cccnc2)CC1 ZINC001235297466 1040769122 /nfs/dbraw/zinc/76/91/22/1040769122.db2.gz MLWOGLXKGYXVMA-UHFFFAOYSA-N -1 3 395.272 3.980 20 10 GHCDHM CN1CCN(Cc2cc(F)cc(Br)c2[O-])C[C@H]1c1ccccc1 ZINC001235302653 1040775138 /nfs/dbraw/zinc/77/51/38/1040775138.db2.gz SFHJPMJBHFGRCX-KRWDZBQOSA-N -1 3 379.273 3.783 20 10 GHCDHM O=C(c1ccsc1)N1C[C@H]2CN(Cc3cc(Cl)c(Cl)cc3[O-])C[C@@H]2C1 ZINC001236794575 1041899475 /nfs/dbraw/zinc/89/94/75/1041899475.db2.gz YAYTVUVKVOSFJR-ZIAGYGMSSA-N -1 3 397.327 3.965 20 10 GHCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001236794674 1041899730 /nfs/dbraw/zinc/89/97/30/1041899730.db2.gz UGDAGUQUYHGRQL-CHWSQXEVSA-N -1 3 376.177 3.926 20 10 GHCDHM COc1cc([O-])c(CN2CCCC[C@H]2c2noc(C)n2)c(Br)c1 ZINC001237072532 1042022201 /nfs/dbraw/zinc/02/22/01/1042022201.db2.gz IGTZRDNHEZVLCI-AWEZNQCLSA-N -1 3 382.258 3.582 20 10 GHCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCn2cc(CN3CCCCC3)nc2C1 ZINC001237081110 1042026834 /nfs/dbraw/zinc/02/68/34/1042026834.db2.gz RMQOLIUXCIDYLT-UHFFFAOYSA-N -1 3 395.334 3.897 20 10 GHCDHM C[C@@]1(O)CCCCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])C1 ZINC001237783496 1042367783 /nfs/dbraw/zinc/36/77/83/1042367783.db2.gz JIPBWIUUZATHRD-CQSZACIVSA-N -1 3 382.220 3.910 20 10 GHCDHM CN(Cc1cc(F)cc(Cl)c1[O-])C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001237800825 1042377098 /nfs/dbraw/zinc/37/70/98/1042377098.db2.gz BXAPPGREUYMVBH-SFHVURJKSA-N -1 3 378.875 3.518 20 10 GHCDHM [O-]c1c(Cl)cc(F)cc1CN1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001237800954 1042377604 /nfs/dbraw/zinc/37/76/04/1042377604.db2.gz PXFJMULOIHKFMP-QXAKKESOSA-N -1 3 392.858 3.781 20 10 GHCDHM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(Oc3ccccn3)cc2)ccc1O ZINC001260146822 1045396613 /nfs/dbraw/zinc/39/66/13/1045396613.db2.gz GNLHENXHTTWWBF-UHFFFAOYSA-N -1 3 384.413 3.583 20 10 GHCDHM C[C@H]1CCCN(c2nnc(-c3sc4ncccc4c3[O-])n2C[C@H]2CCOC2)C1 ZINC001263532284 1046926587 /nfs/dbraw/zinc/92/65/87/1046926587.db2.gz LLRGYLCEAIHRGE-UONOGXRCSA-N -1 3 399.520 3.533 20 10 GHCDHM O=C(CCCc1ccccc1)N[C@@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC001308757480 1050084266 /nfs/dbraw/zinc/08/42/66/1050084266.db2.gz CJQQAQDFOFSWIZ-LJQANCHMSA-N -1 3 388.458 3.774 20 10 GHCDHM CC(C)(C)n1ncc(C(=O)[N-]c2c3nonc3ccc2Cl)c1Br ZINC001328695945 1050596449 /nfs/dbraw/zinc/59/64/49/1050596449.db2.gz ARBUQMJITCZOMW-UHFFFAOYSA-N -1 3 398.648 3.843 20 10 GHCDHM CC1(C)CCCN1c1nnc(-c2sc3ncccc3c2[O-])n1C[C@H]1CCOC1 ZINC001345207870 1054940982 /nfs/dbraw/zinc/94/09/82/1054940982.db2.gz DMTDHHQQBJHIIX-CYBMUJFWSA-N -1 3 399.520 3.676 20 10 GHCDHM COCc1sccc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC001445883701 1059645405 /nfs/dbraw/zinc/64/54/05/1059645405.db2.gz NQDUSTSEVDXXRQ-OAHLLOKOSA-N -1 3 394.924 3.648 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)c1ccccc1OCCOc1ccccc1 ZINC001456082190 1062471182 /nfs/dbraw/zinc/47/11/82/1062471182.db2.gz AHCBALCNQHIVDA-UHFFFAOYSA-N -1 3 381.403 3.919 20 10 GHCDHM O=C(Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1)c1cccc(O)c1[O-] ZINC001464491849 1065043740 /nfs/dbraw/zinc/04/37/40/1065043740.db2.gz IXHXWWGQFOVODT-UHFFFAOYSA-N -1 3 377.375 3.956 20 10 GHCDHM C[C@H]1CN(c2ccc(NC(=O)NCc3c([O-])cccc3F)cc2F)C[C@H](C)O1 ZINC001465258231 1065506088 /nfs/dbraw/zinc/50/60/88/1065506088.db2.gz RRYQDIMXZZBYCX-STQMWFEESA-N -1 3 391.418 3.606 20 10 GHCDHM Cc1cc(CN2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)ccc1N1CCCCC1 ZINC001460663692 1069068439 /nfs/dbraw/zinc/06/84/39/1069068439.db2.gz FKBYVWLIDYRDGC-LJQANCHMSA-N -1 3 383.458 3.628 20 10 GHCDHM CCOC(=O)c1sc2nc(C)nc(NCc3c([O-])cccc3F)c2c1C ZINC001472883507 1073712112 /nfs/dbraw/zinc/71/21/12/1073712112.db2.gz XKPDHDKNCBKERD-UHFFFAOYSA-N -1 3 375.425 3.942 20 10 GHCDHM O=C([N-][C@@H]1CN(Cc2cc(F)ccc2O)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001474634400 1074492529 /nfs/dbraw/zinc/49/25/29/1074492529.db2.gz FTTPRCRIYFRSQQ-IAGOWNOFSA-N -1 3 396.384 3.568 20 10 GHCDHM C[C@@H](c1cccs1)N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)cc2)SC1=S ZINC000736204442 598359200 /nfs/dbraw/zinc/35/92/00/598359200.db2.gz RWBCUTZIRDKTOJ-ADVUTCEVSA-N -1 3 399.526 3.891 20 10 GHCDHM C[C@@H](c1cccs1)N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)cc2)SC1=S ZINC000736204442 598359202 /nfs/dbraw/zinc/35/92/02/598359202.db2.gz RWBCUTZIRDKTOJ-ADVUTCEVSA-N -1 3 399.526 3.891 20 10 GHCDHM Cc1cc(C(=O)N(CC(C)C)C(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227461 598611993 /nfs/dbraw/zinc/61/19/93/598611993.db2.gz MXFGJQULSTUTPU-UHFFFAOYSA-N -1 3 380.496 3.781 20 10 GHCDHM CC[C@@H]1C[C@H](C)CN1C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000820966388 599655864 /nfs/dbraw/zinc/65/58/64/599655864.db2.gz DOXQLRJVLNJTRB-SUMWQHHRSA-N -1 3 378.480 3.535 20 10 GHCDHM O=C([O-])N[C@H]1C[C@H](NCc2ccc(N3CCSCC3)cc2)c2ccccc21 ZINC000834158445 605792732 /nfs/dbraw/zinc/79/27/32/605792732.db2.gz NSGHBTCKSOQWRK-PMACEKPBSA-N -1 3 383.517 3.783 20 10 GHCDHM Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)s3)SC2=S)c1 ZINC000822308280 606394036 /nfs/dbraw/zinc/39/40/36/606394036.db2.gz BNZBVICKCGFYSY-JYRVWZFOSA-N -1 3 385.499 3.642 20 10 GHCDHM Cc1ccc(C)c(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)s3)SC2=S)c1 ZINC000822231911 606394127 /nfs/dbraw/zinc/39/41/27/606394127.db2.gz MHCAJMBZKJQEAK-ZSOIEALJSA-N -1 3 399.526 3.951 20 10 GHCDHM Cc1cc(CC(=O)N2CCCc3c(=O)[n-]cnc32)c(C)n1-c1ccc(Cl)cc1 ZINC000893214196 838936027 /nfs/dbraw/zinc/93/60/27/838936027.db2.gz KYIZHXJCTOPXJL-UHFFFAOYSA-N -1 3 396.878 3.765 20 10 GHCDHM CN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cc(O)cc(Br)c1[O-] ZINC000124737043 841020912 /nfs/dbraw/zinc/02/09/12/841020912.db2.gz ZCKVQBUKSGXTQI-CQSZACIVSA-N -1 3 383.629 3.710 20 10 GHCDHM CSc1ccccc1NC(=O)CN(C)Cc1cc(Br)ccc1[O-] ZINC000160879823 841203858 /nfs/dbraw/zinc/20/38/58/841203858.db2.gz FNWVVQQGMCUYEI-UHFFFAOYSA-N -1 3 395.322 3.947 20 10 GHCDHM COc1c([O-])c(CNc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)ccc1[N+](=O)[O-] ZINC000278902267 843651893 /nfs/dbraw/zinc/65/18/93/843651893.db2.gz RERBGAAJVBEOQP-QZTJIDSGSA-N -1 3 388.420 3.603 20 10 GHCDHM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCCN(C3CCCC3)CC2)c1[O-] ZINC000738271337 865512766 /nfs/dbraw/zinc/51/27/66/865512766.db2.gz VIQOCWRBWOIJMS-UHFFFAOYSA-N -1 3 394.515 3.779 20 10 GHCDHM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCCN(C3CCCC3)CC2)c1[O-] ZINC000738271337 865512776 /nfs/dbraw/zinc/51/27/76/865512776.db2.gz VIQOCWRBWOIJMS-UHFFFAOYSA-N -1 3 394.515 3.779 20 10 GHCDHM COC(=O)c1cc(NCc2cc(Cl)c3cccnc3c2[O-])nc2[nH]ccc21 ZINC001168528198 865881118 /nfs/dbraw/zinc/88/11/18/865881118.db2.gz PBUSSXOSCNUUGB-UHFFFAOYSA-N -1 3 382.807 3.869 20 10 GHCDHM Cc1ccc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c([O-])c1O ZINC000181773586 871467268 /nfs/dbraw/zinc/46/72/68/871467268.db2.gz LTBLCISYFTVGQW-UHFFFAOYSA-N -1 3 378.432 3.643 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)c([O-])c1O ZINC000182146469 871918441 /nfs/dbraw/zinc/91/84/41/871918441.db2.gz SUZDXRUEKHBEHI-UHFFFAOYSA-N -1 3 390.439 3.864 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)c([O-])c1O ZINC000182304961 872169973 /nfs/dbraw/zinc/16/99/73/872169973.db2.gz JJNVLWYZTMYSBB-UHFFFAOYSA-N -1 3 379.294 3.727 20 10 GHCDHM CCN(C)c1ccc([C@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000182734978 872736691 /nfs/dbraw/zinc/73/66/91/872736691.db2.gz VFWHHVNZIIGPKQ-AWEZNQCLSA-N -1 3 377.510 3.696 20 10 GHCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC(n2cc(Br)cn2)CC1 ZINC000775695003 872950757 /nfs/dbraw/zinc/95/07/57/872950757.db2.gz REEYPSVZFIKSKA-UHFFFAOYSA-N -1 3 388.668 3.981 20 10 GHCDHM COC(=O)CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)Cc1cc(Cl)ccc1[O-] ZINC000768542366 873375098 /nfs/dbraw/zinc/37/50/98/873375098.db2.gz VUEORNZAXAOJIB-UHFFFAOYSA-N -1 3 399.230 3.782 20 10 GHCDHM O=c1cc(NS(=O)(=O)c2ccc(N=Nc3ccccc3)cc2)[nH]c(=S)[n-]1 ZINC001197160733 873630155 /nfs/dbraw/zinc/63/01/55/873630155.db2.gz DQPWMAZLHFAIMY-FMQUCBEESA-N -1 3 387.446 3.687 20 10 GHCDHM COc1c([O-])c([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)ccc1[N+](=O)[O-] ZINC000772177080 875734902 /nfs/dbraw/zinc/73/49/02/875734902.db2.gz KLGAVWVVWCTIKO-LJQANCHMSA-N -1 3 395.371 3.669 20 10 GHCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@H]2CSc3ccc(Br)cc32)c1 ZINC000785575941 876137892 /nfs/dbraw/zinc/13/78/92/876137892.db2.gz HECUWVQHDZFYQF-ZDUSSCGKSA-N -1 3 381.251 4.000 20 10 GHCDHM C[C@@H](NCc1cnc(C(F)(F)F)nc1)c1cc(Br)cc(F)c1[O-] ZINC000850485587 876959691 /nfs/dbraw/zinc/95/96/91/876959691.db2.gz LLXLAKKKQVBQKI-SSDOTTSWSA-N -1 3 394.166 3.953 20 10 GHCDHM O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1cccc(O)c1[O-] ZINC000790708775 879942824 /nfs/dbraw/zinc/94/28/24/879942824.db2.gz ZCSFDISGIDRLJJ-UHFFFAOYSA-N -1 3 389.473 3.598 20 10 GHCDHM CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)c1cccc(O)c1[O-] ZINC000790711617 879946934 /nfs/dbraw/zinc/94/69/34/879946934.db2.gz BDSOLUYHLGLPPJ-UHFFFAOYSA-N -1 3 393.439 3.828 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000193003521 884320244 /nfs/dbraw/zinc/32/02/44/884320244.db2.gz KRZRFNMKHNWJEW-CYBMUJFWSA-N -1 3 399.834 3.821 20 10 GHCDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)Cc2ccc(N(C)C)cc2C)c(F)c1F ZINC001212201571 884791158 /nfs/dbraw/zinc/79/11/58/884791158.db2.gz FAXYACMBYOCIRM-AWEZNQCLSA-N -1 3 382.476 3.557 20 10 GHCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCN1Cc1ccccc1 ZINC000807838433 885804103 /nfs/dbraw/zinc/80/41/03/885804103.db2.gz RKLRYAHIGZNHJH-KRWDZBQOSA-N -1 3 379.287 3.980 20 10 GHCDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)cc1C ZINC000811704704 889879541 /nfs/dbraw/zinc/87/95/41/889879541.db2.gz FIXPPMWRWFIZFA-UHFFFAOYSA-N -1 3 379.478 3.743 20 10 GHCDHM NC(=O)c1ccc(CN(Cc2cccc(Br)c2[O-])C2CC2)c(F)c1 ZINC000814171251 892322440 /nfs/dbraw/zinc/32/24/40/892322440.db2.gz MMTPEUAYBOQLDE-UHFFFAOYSA-N -1 3 393.256 3.557 20 10 GHCDHM O=C([C@H]1CC12CCN(Cc1cc(Cl)c(F)cc1[O-])CC2)N1CCCCC1 ZINC000816565090 894947345 /nfs/dbraw/zinc/94/73/45/894947345.db2.gz AYUNBOKTURPSKM-OAHLLOKOSA-N -1 3 380.891 3.799 20 10 GHCDHM C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1cccc(O)c1[O-] ZINC000816817755 895108778 /nfs/dbraw/zinc/10/87/78/895108778.db2.gz JQMDLLJVLPJIKC-MEDUHNTESA-N -1 3 381.350 3.719 20 10 GHCDHM CCCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H]1CCC[C@H](C)C1 ZINC000818801488 896242969 /nfs/dbraw/zinc/24/29/69/896242969.db2.gz APUKRMUZFYIQQD-HOCLYGCPSA-N -1 3 382.526 3.585 20 10 GHCDHM COc1c([O-])c(CNc2ccccc2OCc2cscn2)ccc1[N+](=O)[O-] ZINC000774933564 914102461 /nfs/dbraw/zinc/10/24/61/914102461.db2.gz OVCURMXQMXLWAE-UHFFFAOYSA-N -1 3 387.417 3.957 20 10 GHCDHM COc1c([O-])c(CNc2ccccc2OC[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000774935787 914127759 /nfs/dbraw/zinc/12/77/59/914127759.db2.gz VCGJMPJYJITLQJ-HNNXBMFYSA-N -1 3 388.420 3.869 20 10 GHCDHM CC(C)[C@H](NCc1cc(Br)cc(F)c1[O-])c1nnc2ccccn21 ZINC000882957074 897144455 /nfs/dbraw/zinc/14/44/55/897144455.db2.gz VSKUQSNAWAXHKZ-HNNXBMFYSA-N -1 3 393.260 3.823 20 10 GHCDHM CCc1ncc(CNCc2cc(Br)cc(Br)c2[O-])o1 ZINC000825078926 899966542 /nfs/dbraw/zinc/96/65/42/899966542.db2.gz FWRUCNGHXCTIHB-UHFFFAOYSA-N -1 3 390.075 3.757 20 10 GHCDHM CC(C)(C)OC(=O)NCC[C@H](NCc1cc(Cl)ccc1[O-])C(F)(F)F ZINC000825269484 900064826 /nfs/dbraw/zinc/06/48/26/900064826.db2.gz NODZVEOYOMDHFW-ZDUSSCGKSA-N -1 3 382.810 3.981 20 10 GHCDHM Cc1cc(CC(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c(C)n1-c1ccccc1 ZINC000825305326 900083328 /nfs/dbraw/zinc/08/33/28/900083328.db2.gz VVJYKVZHIPAOOX-UHFFFAOYSA-N -1 3 390.487 3.716 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1[O-] ZINC000134635258 900097656 /nfs/dbraw/zinc/09/76/56/900097656.db2.gz KQXSPQSNHYUDRI-WBMJQRKESA-N -1 3 380.460 3.612 20 10 GHCDHM [O-]c1ccc(F)cc1CN1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000778996393 902609255 /nfs/dbraw/zinc/60/92/55/902609255.db2.gz ZSCRNYAPDIFGEJ-UHFFFAOYSA-N -1 3 376.300 3.549 20 10 GHCDHM O=C(Nc1ccc2c(cnn2Cc2cccc(F)c2)c1)c1cccc(O)c1[O-] ZINC001148218515 904010358 /nfs/dbraw/zinc/01/03/58/904010358.db2.gz CNVYRFIGDCIKLZ-UHFFFAOYSA-N -1 3 377.375 3.887 20 10 GHCDHM Cc1cc(C)n2ccc(C(=O)NCc3cc(Cl)c4cccnc4c3[O-])c2n1 ZINC001175168429 907416973 /nfs/dbraw/zinc/41/69/73/907416973.db2.gz RAOCHRIJXBDADP-UHFFFAOYSA-N -1 3 380.835 3.788 20 10 GHCDHM COc1ccc(/C=C/C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc1O ZINC001179673302 909662369 /nfs/dbraw/zinc/66/23/69/909662369.db2.gz UYQSZXVRZKVDSD-FNORWQNLSA-N -1 3 384.819 3.638 20 10 GHCDHM C[C@@H](N[C@H](Cn1ccccc1=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000800504509 920205167 /nfs/dbraw/zinc/20/51/67/920205167.db2.gz CEKMDMOGRDVFTM-DNVCBOLYSA-N -1 3 379.416 3.554 20 10 GHCDHM CC[C@H]([NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000903399191 922989125 /nfs/dbraw/zinc/98/91/25/922989125.db2.gz VVSRFIBMQQXILW-MFKMUULPSA-N -1 3 383.279 3.514 20 10 GHCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cc2ncccc2o1 ZINC001137440192 925795610 /nfs/dbraw/zinc/79/56/10/925795610.db2.gz PRZJKQPSNIWCQQ-HNNXBMFYSA-N -1 3 385.851 3.581 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN(C)CC(=O)Nc2cc(F)cc(F)c2)c1 ZINC000781913733 931027318 /nfs/dbraw/zinc/02/73/18/931027318.db2.gz SBNVTVQBKGEYKP-UHFFFAOYSA-N -1 3 399.235 3.812 20 10 GHCDHM CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)NCc2c([O-])cccc2F)c1 ZINC000928708565 933078400 /nfs/dbraw/zinc/07/84/00/933078400.db2.gz PGXISLKGDNDLBD-UHFFFAOYSA-N -1 3 392.858 3.777 20 10 GHCDHM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2c([O-])cccc2F)C[C@H]1C(F)(F)F ZINC001137840353 935817807 /nfs/dbraw/zinc/81/78/07/935817807.db2.gz YMZBWTHHMDNOGZ-TZMCWYRMSA-N -1 3 392.393 3.809 20 10 GHCDHM COc1ccc(O)c([C@@H](C)N[C@@H](C(=O)[O-])c2ccccc2Br)c1 ZINC001599598227 993776758 /nfs/dbraw/zinc/77/67/58/993776758.db2.gz IRBZSKMSICEKHE-QLJPJBMISA-N -1 3 380.238 3.640 20 10 GHCDHM COc1ccc(CC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])c(Cl)c1OC ZINC001599557199 998115011 /nfs/dbraw/zinc/11/50/11/998115011.db2.gz WUUWJXGOHPFWDU-LLVKDONJSA-N -1 3 379.840 3.654 20 10 GHCDHM COc1cc(O[C@@H]2CC=C(OC)CC2)c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O ZINC001227393462 1032401900 /nfs/dbraw/zinc/40/19/00/1032401900.db2.gz SONVPCFBPQOSQP-CQSZACIVSA-N -1 3 394.423 3.946 20 10 GHCDHM CCOC(=O)C[C@@H](Oc1c(O)c([O-])ccc1C(=O)c1ccccc1)C(F)(F)F ZINC001227938878 1032704783 /nfs/dbraw/zinc/70/47/83/1032704783.db2.gz ZHRCFEVCYJTSPB-CQSZACIVSA-N -1 3 398.333 3.592 20 10 GHCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1OC[C@H]1CC[C@@]2(CCCCO2)O1 ZINC001227941577 1032706922 /nfs/dbraw/zinc/70/69/22/1032706922.db2.gz WLHQJQAHFAWAQC-OPAMFIHVSA-N -1 3 384.428 3.783 20 10 GHCDHM O=C(Cc1ccccc1)Nc1cc(NC(=O)c2cccc(O)c2[O-])ccc1F ZINC000192987117 1020907271 /nfs/dbraw/zinc/90/72/71/1020907271.db2.gz GJVKQTKTBNEUSI-UHFFFAOYSA-N -1 3 380.375 3.670 20 10 GHCDHM CCOC(=O)[C@H]1CCCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141374482 1024767737 /nfs/dbraw/zinc/76/77/37/1024767737.db2.gz JOPOITCRQYQEGS-NSHDSACASA-N -1 3 390.705 3.973 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC([C@H](O)c3cc(F)ccc3F)CC2)c1[O-] ZINC000839159699 1025665175 /nfs/dbraw/zinc/66/51/75/1025665175.db2.gz OSZJFBOQBJHYOG-FQEVSTJZSA-N -1 3 393.405 3.958 20 10 GHCDHM Cc1cncc(COCc2cnc3n2CCN(Cc2cc(F)ccc2[O-])[C@@H]3C)c1 ZINC001140055531 1026835284 /nfs/dbraw/zinc/83/52/84/1026835284.db2.gz JSDRLOXJLBGEEQ-MRXNPFEDSA-N -1 3 396.466 3.725 20 10 GHCDHM CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCCN2Cc1c([O-])cccc1Br ZINC001140100036 1026877245 /nfs/dbraw/zinc/87/72/45/1026877245.db2.gz BQUXNQVZJYSECI-LSDHHAIUSA-N -1 3 397.313 3.738 20 10 GHCDHM C[C@@H]1CN(C(=O)c2ccccc2)CCN1Cc1c([O-])cccc1Br ZINC001140102421 1026882493 /nfs/dbraw/zinc/88/24/93/1026882493.db2.gz QHKCFRCKEARPNW-CQSZACIVSA-N -1 3 389.293 3.501 20 10 GHCDHM CCOc1cccc(N2CCN(Cc3c([O-])cccc3Br)CC2)c1 ZINC001140103296 1026884155 /nfs/dbraw/zinc/88/41/55/1026884155.db2.gz IPXNRSNIMUGYLF-UHFFFAOYSA-N -1 3 391.309 3.876 20 10 GHCDHM CC(C)(C)OC(=O)NCc1ccc(NC(=O)NCc2c([O-])cccc2F)cc1 ZINC001203905506 1027697826 /nfs/dbraw/zinc/69/78/26/1027697826.db2.gz NUBHEUUGPZJGOS-UHFFFAOYSA-N -1 3 389.427 3.878 20 10 GHCDHM C[C@]1(C(=O)[O-])CCN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000840998727 1028031231 /nfs/dbraw/zinc/03/12/31/1028031231.db2.gz PPWZXWHEMMVQOC-SFHVURJKSA-N -1 3 381.314 3.736 20 10 GHCDHM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001142419466 1028863428 /nfs/dbraw/zinc/86/34/28/1028863428.db2.gz SAKPLKZMBHGAGT-ZDUSSCGKSA-N -1 3 399.441 3.542 20 10 GHCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001142512732 1029015467 /nfs/dbraw/zinc/01/54/67/1029015467.db2.gz JKCNYLHEYMJLCY-PZJWPPBQSA-N -1 3 390.430 3.516 20 10 GHCDHM [O-]c1c(O)cc(-c2nc(-c3cccc(Br)c3Cl)no2)cc1O ZINC001215327895 1029156228 /nfs/dbraw/zinc/15/62/28/1029156228.db2.gz ZCVFLXPEXNQDAY-UHFFFAOYSA-N -1 3 383.585 3.936 20 10 GHCDHM [O-]c1c(F)cc(Br)cc1CN1CC[C@]2(C1)OCc1ccccc12 ZINC001205493232 1033438446 /nfs/dbraw/zinc/43/84/46/1033438446.db2.gz RSKMJDMKTTUISO-GOSISDBHSA-N -1 3 378.241 3.925 20 10 GHCDHM O=C1CC[C@@H]2[C@@H](CCN2Cc2cc(Cl)cc(F)c2[O-])N1CC1CCCC1 ZINC001277388115 1033485611 /nfs/dbraw/zinc/48/56/11/1033485611.db2.gz SIZJIZNTGKOIOH-QZTJIDSGSA-N -1 3 380.891 3.940 20 10 GHCDHM Cc1cn2c(n1)[C@H](Oc1cc(C)cc3c1C(=O)c1c([O-])cccc1C3=O)CCC2 ZINC001229542832 1033550160 /nfs/dbraw/zinc/55/01/60/1033550160.db2.gz QJPPSYSVIZFLPE-QGZVFWFLSA-N -1 3 388.423 3.895 20 10 GHCDHM CON(C)C(=O)c1cc(C)cnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001157726750 1033742774 /nfs/dbraw/zinc/74/27/74/1033742774.db2.gz XGCHKEFPKLVRQP-UHFFFAOYSA-N -1 3 386.839 3.543 20 10 GHCDHM C[C@H](c1ccccc1)[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])[C@@H]1CN2CCC1CC2 ZINC001231454585 1034599009 /nfs/dbraw/zinc/59/90/09/1034599009.db2.gz RXJPCMRCXDNFHJ-IIBYNOLFSA-N -1 3 380.488 3.748 20 10 GHCDHM C[C@H](c1ccccc1)[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])[C@@H]1CN2CCC1CC2 ZINC001231454585 1034599013 /nfs/dbraw/zinc/59/90/13/1034599013.db2.gz RXJPCMRCXDNFHJ-IIBYNOLFSA-N -1 3 380.488 3.748 20 10 GHCDHM Cc1cc(Cl)nc(C(F)(F)NCc2cc(Br)ccc2[O-])n1 ZINC001160012828 1034826504 /nfs/dbraw/zinc/82/65/04/1034826504.db2.gz VEPGAEPMYFTXEM-UHFFFAOYSA-N -1 3 378.604 3.746 20 10 GHCDHM CN(C)c1cc(Cl)nc(C(F)(F)NCc2cc3ccccc3cc2[O-])n1 ZINC001160206488 1034901534 /nfs/dbraw/zinc/90/15/34/1034901534.db2.gz NWFVDYMDWOUBOM-UHFFFAOYSA-N -1 3 378.810 3.894 20 10 GHCDHM Cc1cc([O-])c(CN2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1Cl ZINC001231869973 1034956015 /nfs/dbraw/zinc/95/60/15/1034956015.db2.gz CTGCLNFJHLYGHH-UHFFFAOYSA-N -1 3 379.287 3.965 20 10 GHCDHM Cc1cc([O-])c(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1Cl ZINC001231870092 1034957193 /nfs/dbraw/zinc/95/71/93/1034957193.db2.gz JBDNMMBKXPGCKY-UHFFFAOYSA-N -1 3 379.287 3.965 20 10 GHCDHM COc1cc([O-])c(CN2Cc3ncn(C)c3[C@@H](COCC(C)C)C2)cc1Cl ZINC001232268964 1037991704 /nfs/dbraw/zinc/99/17/04/1037991704.db2.gz XFXJLLAHCDYEKG-OAHLLOKOSA-N -1 3 393.915 3.560 20 10 GHCDHM COc1cc([O-])c(CN2CCOC[C@@H]2c2ccccc2)cc1Br ZINC001233135750 1038917849 /nfs/dbraw/zinc/91/78/49/1038917849.db2.gz ZMUUKSMXZXFPBY-MRXNPFEDSA-N -1 3 378.266 3.737 20 10 GHCDHM COc1cc([O-])c(CN2CCN(c3ccccc3F)CC2)cc1Br ZINC001233139695 1038918830 /nfs/dbraw/zinc/91/88/30/1038918830.db2.gz PEABPWCYIJSYCT-UHFFFAOYSA-N -1 3 395.272 3.625 20 10 GHCDHM COc1cc([O-])c(CN2CC(Oc3ccccc3F)C2)cc1Br ZINC001233140925 1038919702 /nfs/dbraw/zinc/91/97/02/1038919702.db2.gz YGFZAUTXWHFIRE-UHFFFAOYSA-N -1 3 382.229 3.566 20 10 GHCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001233333105 1039131861 /nfs/dbraw/zinc/13/18/61/1039131861.db2.gz JVKXGWVPKOLTJL-RXVVDRJESA-N -1 3 390.430 3.516 20 10 GHCDHM COc1cccc(O[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3[O-])C2)n1 ZINC001233419870 1039281818 /nfs/dbraw/zinc/28/18/18/1039281818.db2.gz PPVSVHIKTZUGBO-CQSZACIVSA-N -1 3 382.382 3.858 20 10 GHCDHM COc1c(OC[C@@H]2CCC=CO2)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234127760 1039869199 /nfs/dbraw/zinc/86/91/99/1039869199.db2.gz UXIMRYQVULVTQU-ZDUSSCGKSA-N -1 3 380.396 3.556 20 10 GHCDHM [O-]c1ccc(-c2nnc(Cc3ccc(Cl)cc3)o2)cc1CN1CCOCC1 ZINC001254318200 1040169979 /nfs/dbraw/zinc/16/99/79/1040169979.db2.gz VOGRBBHKYNINRR-UHFFFAOYSA-N -1 3 385.851 3.519 20 10 GHCDHM COc1ccc(CN(C)Cc2cc(Br)cc(F)c2[O-])cc1OC ZINC001235063859 1040552156 /nfs/dbraw/zinc/55/21/56/1040552156.db2.gz BTOSEHTZBVSWSV-UHFFFAOYSA-N -1 3 384.245 3.943 20 10 GHCDHM CC(=O)N1CCCCC12CCN(Cc1cc(Br)cc(F)c1[O-])CC2 ZINC001235064461 1040552450 /nfs/dbraw/zinc/55/24/50/1040552450.db2.gz FAWKLTAZLQNKJN-UHFFFAOYSA-N -1 3 399.304 3.661 20 10 GHCDHM [O-]c1c(Br)cc(F)cc1CN1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001235310045 1040785065 /nfs/dbraw/zinc/78/50/65/1040785065.db2.gz ZTOHYFUMWLTDIE-HUUCEWRRSA-N -1 3 391.284 3.862 20 10 GHCDHM O=C(NCC(F)F)[C@H]1CC12CCN(Cc1c([O-])ccc(Cl)c1Cl)CC2 ZINC001277995968 1041820465 /nfs/dbraw/zinc/82/04/65/1041820465.db2.gz RAJKPQHRTCDQEC-LLVKDONJSA-N -1 3 393.261 3.682 20 10 GHCDHM COc1ccc(CN2CCC[C@](C)(NC(=O)OC(C)(C)C)C2)c([O-])c1Cl ZINC001236803522 1041905852 /nfs/dbraw/zinc/90/58/52/1041905852.db2.gz VAWNKZGTXINEKA-IBGZPJMESA-N -1 3 384.904 3.933 20 10 GHCDHM COc1cc([O-])c(CN(C)Cc2cc(OC)cc(OC)c2)c(Br)c1 ZINC001237059153 1042013769 /nfs/dbraw/zinc/01/37/69/1042013769.db2.gz JEURCJBAYNGOSU-UHFFFAOYSA-N -1 3 396.281 3.813 20 10 GHCDHM COc1cc([O-])c(CN2CCc3nc(Cl)ccc3C2)c(Br)c1 ZINC001237073851 1042023049 /nfs/dbraw/zinc/02/30/49/1042023049.db2.gz VUPQTHMYIXNNSF-UHFFFAOYSA-N -1 3 383.673 3.770 20 10 GHCDHM COc1cc([O-])c(CN2CCC(C(=O)C(F)(F)F)CC2)c(Br)c1 ZINC001237073913 1042023070 /nfs/dbraw/zinc/02/30/70/1042023070.db2.gz XFIGDXYXSFXANR-UHFFFAOYSA-N -1 3 396.203 3.507 20 10 GHCDHM [O-]c1c(CN2CC[C@H]3COC[C@@H]3C2)cc(Br)cc1C(F)(F)F ZINC001237791292 1042371882 /nfs/dbraw/zinc/37/18/82/1042371882.db2.gz IMBMWROFIMEYKO-ONGXEEELSA-N -1 3 380.204 3.642 20 10 GHCDHM Cc1ccc(O[C@H]2C[C@@H]3CN(Cc4cc(F)cc(Cl)c4[O-])CCN3C2)cc1 ZINC001237812411 1042381633 /nfs/dbraw/zinc/38/16/33/1042381633.db2.gz FXEFQPKHEGFPQW-MJGOQNOKSA-N -1 3 390.886 3.831 20 10 GHCDHM [O-]c1cc(Cl)c(F)cc1CN1CCC(n2cc(Br)cn2)CC1 ZINC001237942857 1042432326 /nfs/dbraw/zinc/43/23/26/1042432326.db2.gz HGRXBYIHENASNA-UHFFFAOYSA-N -1 3 388.668 3.981 20 10 GHCDHM Cc1ccccc1CS(=O)(=O)[N-]c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001260015697 1045356589 /nfs/dbraw/zinc/35/65/89/1045356589.db2.gz XNYLYACVBLNTES-UHFFFAOYSA-N -1 3 391.448 3.712 20 10 GHCDHM Cc1cc(S(=O)(=O)NCc2cc(Cl)c3cccnc3c2[O-])ccc1F ZINC001260762513 1045644056 /nfs/dbraw/zinc/64/40/56/1045644056.db2.gz JUPBNGYERZBFOO-UHFFFAOYSA-N -1 3 380.828 3.520 20 10 GHCDHM COc1cc([O-])c(CN2CC3(CCN3CCCC(F)(F)F)C2)cc1Cl ZINC001279571695 1047842065 /nfs/dbraw/zinc/84/20/65/1047842065.db2.gz NOKJKFXEADFOQW-UHFFFAOYSA-N -1 3 378.822 3.657 20 10 GHCDHM CC(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1c([O-])ccc(Cl)c1Cl ZINC001279677012 1047910865 /nfs/dbraw/zinc/91/08/65/1047910865.db2.gz WMSMYEYGPFQPJC-YHWZYXNKSA-N -1 3 386.323 3.902 20 10 GHCDHM O=C([O-])C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(Cl)c1 ZINC000756336908 1051036753 /nfs/dbraw/zinc/03/67/53/1051036753.db2.gz DBNYHHXZQPRYSE-GOSISDBHSA-N -1 3 392.858 3.621 20 10 GHCDHM CCCN(Cc1nc(=O)c2sccc2[n-]1)Cc1ccc(OC)c(OC)c1O ZINC001342812145 1053369258 /nfs/dbraw/zinc/36/92/58/1053369258.db2.gz RZFXPDNTCUBSEO-UHFFFAOYSA-N -1 3 389.477 3.532 20 10 GHCDHM COC(=O)CN(Cc1ccc(N2CCCC2)cc1)Cc1cc(Cl)ccc1[O-] ZINC001319823873 1055491265 /nfs/dbraw/zinc/49/12/65/1055491265.db2.gz UWQDKGPRNZFQJJ-UHFFFAOYSA-N -1 3 388.895 3.821 20 10 GHCDHM CC(C)(C)n1cc(C(=O)[N-]c2c3nonc3ccc2Cl)c(Br)n1 ZINC001323708088 1057003426 /nfs/dbraw/zinc/00/34/26/1057003426.db2.gz VOWBVPNKSAWSFS-UHFFFAOYSA-N -1 3 398.648 3.843 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCc2ccc(O)cc2C1 ZINC001340215003 1059769373 /nfs/dbraw/zinc/76/93/73/1059769373.db2.gz IAFKZKMSPGEXHL-UHFFFAOYSA-N -1 3 393.472 3.549 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC001456102479 1062483513 /nfs/dbraw/zinc/48/35/13/1062483513.db2.gz UHYHZZYGRDFNOL-UHFFFAOYSA-N -1 3 380.206 3.954 20 10 GHCDHM Cc1cc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c(C)n1-c1ccc(Cl)cc1 ZINC001469715126 1068333094 /nfs/dbraw/zinc/33/30/94/1068333094.db2.gz MLCZQTIPPNRIIV-CQSZACIVSA-N -1 3 384.867 3.806 20 10 GHCDHM CN(Cc1c([O-])cccc1Br)[C@@H]1CCN(c2ccccc2F)C1=O ZINC001474375506 1074372154 /nfs/dbraw/zinc/37/21/54/1074372154.db2.gz VRMJKWXZNZSECC-MRXNPFEDSA-N -1 3 393.256 3.531 20 10 GHCDHM O=C([O-])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001608542580 1126237411 /nfs/dbraw/zinc/23/74/11/1126237411.db2.gz VRXFVLIXBMKTBL-NRFANRHFSA-N -1 3 377.440 3.757 20 10 GHCDHM Cc1cscc1NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826320866 607414684 /nfs/dbraw/zinc/41/46/84/607414684.db2.gz ICHIEHPRFAJCIA-UHFFFAOYSA-N -1 3 378.461 3.896 20 10 GHCDHM CN(Cc1ccc([S@@](C)=O)cc1)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000830839630 601400517 /nfs/dbraw/zinc/40/05/17/601400517.db2.gz CZKVNPLKOZMOLT-HHHXNRCGSA-N -1 3 383.469 3.613 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000186741226 861310601 /nfs/dbraw/zinc/31/06/01/861310601.db2.gz ZWUDSCIQINCBAX-UHFFFAOYSA-N -1 3 388.467 3.645 20 10 GHCDHM COc1ccc(N[C@H](C)c2cc3c(cc2O)CCCC3)cc1[N-]S(C)(=O)=O ZINC000186405212 855025138 /nfs/dbraw/zinc/02/51/38/855025138.db2.gz VURYVOSKLHFXDM-CYBMUJFWSA-N -1 3 390.505 3.824 20 10 GHCDHM O=[N+]([O-])c1cc(Cl)cc(CNCc2ccncc2OCC(F)(F)F)c1[O-] ZINC000282230429 857479610 /nfs/dbraw/zinc/47/96/10/857479610.db2.gz NIFDXCWZGAVAAC-UHFFFAOYSA-N -1 3 391.733 3.580 20 10 GHCDHM Cc1cccc(CC2(O)CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)c1 ZINC000793322032 882098501 /nfs/dbraw/zinc/09/85/01/882098501.db2.gz GZXQRYLRUNSIPB-UHFFFAOYSA-N -1 3 390.867 3.832 20 10 GHCDHM CCN(CC(=O)Nc1cc(F)ccc1F)Cc1cc(Br)ccc1[O-] ZINC000743871311 868468432 /nfs/dbraw/zinc/46/84/32/868468432.db2.gz BFWCWVHNNCMUGQ-UHFFFAOYSA-N -1 3 399.235 3.894 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCCC[C@H]2COC(=O)N2CCCC2)c1[O-] ZINC001194213711 871559718 /nfs/dbraw/zinc/55/97/18/871559718.db2.gz SFFJAGXULDKIOT-KRWDZBQOSA-N -1 3 394.899 3.835 20 10 GHCDHM Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3cc(Cl)cc(F)c3[O-])C2)n1 ZINC000775653662 872367731 /nfs/dbraw/zinc/36/77/31/872367731.db2.gz MBZYGIAJKCLCAK-CYBMUJFWSA-N -1 3 377.847 3.739 20 10 GHCDHM O=C(C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1)N1CCc2ccccc21 ZINC000775665037 872527916 /nfs/dbraw/zinc/52/79/16/872527916.db2.gz XBYSNHXRRNBABQ-UHFFFAOYSA-N -1 3 388.870 3.986 20 10 GHCDHM CC[C@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000182731352 872712526 /nfs/dbraw/zinc/71/25/26/872712526.db2.gz HCTWJELKBIPDIU-KRWDZBQOSA-N -1 3 377.510 3.696 20 10 GHCDHM COc1ccc(N2CCCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)cc1 ZINC000768998528 873762719 /nfs/dbraw/zinc/76/27/19/873762719.db2.gz ORCJFXFDOPCCQD-UHFFFAOYSA-N -1 3 391.855 3.675 20 10 GHCDHM O=C(CC1CCN(Cc2cccc(Br)c2[O-])CC1)NC1CCCC1 ZINC000769110804 873815755 /nfs/dbraw/zinc/81/57/55/873815755.db2.gz IOKOWFSUZNWZCB-UHFFFAOYSA-N -1 3 395.341 3.816 20 10 GHCDHM C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000770378095 874618823 /nfs/dbraw/zinc/61/88/23/874618823.db2.gz GRVMBTIQEJBFIZ-RISCZKNCSA-N -1 3 399.875 3.831 20 10 GHCDHM [O-]c1c(CNc2cnc(OCC(F)(F)F)cn2)cc(Cl)c2cccnc12 ZINC001168525598 878020587 /nfs/dbraw/zinc/02/05/87/878020587.db2.gz HDOHPXQGBWEPBU-UHFFFAOYSA-N -1 3 384.745 3.937 20 10 GHCDHM CN(Cc1cc(Br)cn1C)Cc1cccc(Br)c1[O-] ZINC000180614859 879085319 /nfs/dbraw/zinc/08/53/19/879085319.db2.gz AUQNHZRGMKSOJJ-UHFFFAOYSA-N -1 3 388.103 3.888 20 10 GHCDHM COc1cc(CN(C(=O)c2cccc(O)c2[O-])C2CC2)ccc1OC(F)F ZINC000790499242 879767255 /nfs/dbraw/zinc/76/72/55/879767255.db2.gz IEYHGLSJNRUMAR-UHFFFAOYSA-N -1 3 379.359 3.513 20 10 GHCDHM O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1cccc(O)c1[O-] ZINC000790928099 880069155 /nfs/dbraw/zinc/06/91/55/880069155.db2.gz OAANGMALIGDHEK-CYBMUJFWSA-N -1 3 377.265 3.733 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N(Cc1ccccc1)C[C@]1(O)CCc2ccccc21 ZINC000790904039 880081019 /nfs/dbraw/zinc/08/10/19/880081019.db2.gz SGZAGRDMZVTDOH-XMMPIXPASA-N -1 3 389.451 3.574 20 10 GHCDHM CCN(CC)C(=O)[C@@H](Cc1ccccc1)NCc1c([O-])ccc(Cl)c1F ZINC000790944812 880092375 /nfs/dbraw/zinc/09/23/75/880092375.db2.gz LGQFWAVMRFXJFH-QGZVFWFLSA-N -1 3 378.875 3.754 20 10 GHCDHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)c(C)c1C ZINC000917761919 892489309 /nfs/dbraw/zinc/48/93/09/892489309.db2.gz MVCGFWMTFNNACL-UHFFFAOYSA-N -1 3 388.533 3.866 20 10 GHCDHM Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)c1cn[n-]n1 ZINC000918323950 893521278 /nfs/dbraw/zinc/52/12/78/893521278.db2.gz RHQWEELFRGLYMM-OAHLLOKOSA-N -1 3 389.381 3.730 20 10 GHCDHM O=C(Nc1ccc(F)cc1)N[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816499087 894878409 /nfs/dbraw/zinc/87/84/09/894878409.db2.gz DVIDIJRXCVKRRM-AWEZNQCLSA-N -1 3 381.810 3.720 20 10 GHCDHM COc1cc(Br)cc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000774938094 914107231 /nfs/dbraw/zinc/10/72/31/914107231.db2.gz KHFLHJCKCRBADH-UHFFFAOYSA-N -1 3 383.198 3.692 20 10 GHCDHM CCN(CC)c1ccc(CNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1 ZINC001136300087 897140784 /nfs/dbraw/zinc/14/07/84/897140784.db2.gz FWGNNEJIXBJRDE-UHFFFAOYSA-N -1 3 385.414 3.583 20 10 GHCDHM CCCNC(=O)N1CCc2c(Cl)c([O-])c(O)cc2[C@H](c2ccc(O)cc2)C1 ZINC001202594254 898258017 /nfs/dbraw/zinc/25/80/17/898258017.db2.gz ILJUODRZPMXPNW-INIZCTEOSA-N -1 3 390.867 3.566 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2ccccc2CN2CCOCC2)c1 ZINC000823538921 899078826 /nfs/dbraw/zinc/07/88/26/899078826.db2.gz TXTITEVSVGNWKF-UHFFFAOYSA-N -1 3 391.309 3.907 20 10 GHCDHM CC(C)n1cc(C2=CCCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)nn1 ZINC000824739175 899773260 /nfs/dbraw/zinc/77/32/60/899773260.db2.gz VJRBBVJYQMZINJ-UHFFFAOYSA-N -1 3 391.859 3.806 20 10 GHCDHM CCS[C@@H](C)c1noc(CN(C)Cc2ccc(Br)cc2[O-])n1 ZINC000824933250 899894981 /nfs/dbraw/zinc/89/49/81/899894981.db2.gz CLEFGAGJDSSRNQ-JTQLQIEISA-N -1 3 386.315 3.984 20 10 GHCDHM COc1ccccc1O[C@H]1CCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144299728 901651724 /nfs/dbraw/zinc/65/17/24/901651724.db2.gz HMNMGDGBHYQFPB-ZDUSSCGKSA-N -1 3 396.256 3.956 20 10 GHCDHM COc1c([O-])c(CN[C@@H]2COc3c2ccc(Cl)c3Cl)ccc1[N+](=O)[O-] ZINC000775031192 914635340 /nfs/dbraw/zinc/63/53/40/914635340.db2.gz ZFEMQXSGXGOCQH-LLVKDONJSA-N -1 3 385.203 3.839 20 10 GHCDHM O=C(Cn1c2ccccc2nc1-c1ccccc1)NCc1c([O-])cccc1F ZINC001178412808 909048713 /nfs/dbraw/zinc/04/87/13/909048713.db2.gz GFMKBCMYGPTCBO-UHFFFAOYSA-N -1 3 375.403 3.864 20 10 GHCDHM COc1cc(N[C@H]2CCCN(Cc3ccc(F)c(F)c3[O-])C2)cc(OC)c1 ZINC001179887697 909778825 /nfs/dbraw/zinc/77/88/25/909778825.db2.gz NQBSTPDXGNDZDV-AWEZNQCLSA-N -1 3 378.419 3.764 20 10 GHCDHM O=S(=O)(NCc1ccco1)c1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000796381521 915334357 /nfs/dbraw/zinc/33/43/57/915334357.db2.gz AXKUSQGMMHBZIF-UHFFFAOYSA-N -1 3 392.864 3.729 20 10 GHCDHM O=C(c1ccccn1)N1CCN(Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000726962403 926958316 /nfs/dbraw/zinc/95/83/16/926958316.db2.gz WYUHYXWLZJGVNS-UHFFFAOYSA-N -1 3 387.439 3.645 20 10 GHCDHM CN(Cc1c([O-])ccc2ccncc21)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000749788289 927269966 /nfs/dbraw/zinc/26/99/66/927269966.db2.gz FWMUAQXZWUXZCC-KRWDZBQOSA-N -1 3 388.876 3.554 20 10 GHCDHM COCCN(Cc1ccc2c(c1)OCO2)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000750047705 927403959 /nfs/dbraw/zinc/40/39/59/927403959.db2.gz UZODOAUCPRZKIO-UHFFFAOYSA-N -1 3 391.851 3.626 20 10 GHCDHM COc1cc(N(C)Cc2cc(Cl)cc(C(C)=O)c2[O-])cc(OC)c1OC ZINC000750049309 927405357 /nfs/dbraw/zinc/40/53/57/927405357.db2.gz XDAUPXHAOWKSPP-UHFFFAOYSA-N -1 3 379.840 3.910 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c1[O-] ZINC000752079950 928595787 /nfs/dbraw/zinc/59/57/87/928595787.db2.gz UHXKBYWMUOGNNU-TZMCWYRMSA-N -1 3 396.915 3.983 20 10 GHCDHM Cc1nc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c(C)s1 ZINC000752625858 928934759 /nfs/dbraw/zinc/93/47/59/928934759.db2.gz LBKFBGFOFCRIDK-HNNXBMFYSA-N -1 3 379.913 3.513 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)c([O-])c1O ZINC000780928133 930641984 /nfs/dbraw/zinc/64/19/84/930641984.db2.gz MILGYWLKDWQTMT-UHFFFAOYSA-N -1 3 394.402 3.979 20 10 GHCDHM CC(=O)c1cc(F)cc(CN(Cc2ccccc2)C[C@H](O)C(F)(F)F)c1[O-] ZINC000781342847 930803645 /nfs/dbraw/zinc/80/36/45/930803645.db2.gz FJULHWRBMGIISV-KRWDZBQOSA-N -1 3 385.357 3.659 20 10 GHCDHM COC(=O)c1cc(CN(C)Cc2cc(C)cc(Br)c2[O-])oc1C ZINC000781895514 931015393 /nfs/dbraw/zinc/01/53/93/931015393.db2.gz UUZASUZQFXLEEH-UHFFFAOYSA-N -1 3 382.254 3.783 20 10 GHCDHM [O-]c1ccc(Cl)c(F)c1CNCc1cc(Cl)ccc1N1CCOCC1 ZINC000798499492 932674702 /nfs/dbraw/zinc/67/47/02/932674702.db2.gz WXWSYOQGOKJBOU-UHFFFAOYSA-N -1 3 385.266 3.965 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2ncc(Br)cn2)c1[O-] ZINC000932255712 934861311 /nfs/dbraw/zinc/86/13/11/934861311.db2.gz GKVIMRWVCUYUHJ-OAHLLOKOSA-N -1 3 394.244 3.624 20 10 GHCDHM O=C(NCc1ccc(Br)cc1C(F)(F)F)c1cccc(O)c1[O-] ZINC001138044437 935947905 /nfs/dbraw/zinc/94/79/05/935947905.db2.gz MGFJNXWZKGKPFF-UHFFFAOYSA-N -1 3 390.155 3.809 20 10 GHCDHM COc1ccc(N(Cc2ccco2)Cc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000737099967 944959384 /nfs/dbraw/zinc/95/93/84/944959384.db2.gz RNIPYRKUUDBFCJ-UHFFFAOYSA-N -1 3 379.395 3.814 20 10 GHCDHM COc1ccc(N(Cc2ccco2)Cc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000737099967 944959390 /nfs/dbraw/zinc/95/93/90/944959390.db2.gz RNIPYRKUUDBFCJ-UHFFFAOYSA-N -1 3 379.395 3.814 20 10 GHCDHM CCOc1cccc(CNCc2ccc(C(=O)[O-])cc2Br)c1O ZINC001597154885 986944432 /nfs/dbraw/zinc/94/44/32/986944432.db2.gz CCBOXYMYGIMGDV-UHFFFAOYSA-N -1 3 380.238 3.541 20 10 GHCDHM C[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cc(C(=O)[O-])ccc1O ZINC001593292988 994681278 /nfs/dbraw/zinc/68/12/78/994681278.db2.gz RBSLDKVOYHBYAP-SECBINFHSA-N -1 3 384.310 3.868 20 10 GHCDHM COc1cc(Cl)cc(CN2CCC(Cc3ncc(C(=O)[O-])s3)CC2)c1O ZINC001599420279 997581640 /nfs/dbraw/zinc/58/16/40/997581640.db2.gz CEJNZLXLIIDVJC-UHFFFAOYSA-N -1 3 396.896 3.664 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1c[nH]c2cc(=O)ccc-2c1 ZINC001155168326 1032442413 /nfs/dbraw/zinc/44/24/13/1032442413.db2.gz CRCNCDMZQDXQIX-UHFFFAOYSA-N -1 3 379.803 3.778 20 10 GHCDHM O=S(=O)([N-]CCCSc1nccs1)c1c(Cl)cccc1Cl ZINC000079309186 1020898897 /nfs/dbraw/zinc/89/88/97/1020898897.db2.gz VNGGLMHYZOWAPJ-UHFFFAOYSA-N -1 3 383.347 3.911 20 10 GHCDHM O=C(NC[C@H]1CCCCN1Cc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC001204608242 1032992359 /nfs/dbraw/zinc/99/23/59/1032992359.db2.gz FSVGJNIUBZIDTM-OAHLLOKOSA-N -1 3 376.859 3.969 20 10 GHCDHM [O-]c1cc(Cl)ccc1CN1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@@H]21 ZINC001140464784 1021758047 /nfs/dbraw/zinc/75/80/47/1021758047.db2.gz BIOMYQCURBFUOF-SLYNCCJLSA-N -1 3 388.895 3.637 20 10 GHCDHM CCN1CCN(Cc2ccc(N[C@H](C)c3cc([N+](=O)[O-])ccc3[O-])cc2)CC1 ZINC000756806249 1023822354 /nfs/dbraw/zinc/82/23/54/1023822354.db2.gz YQDYLHZFRBVVHF-MRXNPFEDSA-N -1 3 384.480 3.611 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cccc(C(=O)N3CCCCC3)c2)c1 ZINC000756895195 1023849995 /nfs/dbraw/zinc/84/99/95/1023849995.db2.gz SPBXRWXPXWLQJY-OAHLLOKOSA-N -1 3 382.460 3.978 20 10 GHCDHM [O-]c1c(F)cccc1CN1CCO[C@]2(CCC[C@H]2COCc2ccccn2)C1 ZINC001138125688 1024169615 /nfs/dbraw/zinc/16/96/15/1024169615.db2.gz VJVYLBIYRAIKDD-PGRDOPGGSA-N -1 3 386.467 3.514 20 10 GHCDHM [O-]c1c(F)cccc1CN1CCN(Cc2ccc(Br)cc2)CC1 ZINC001138127826 1024175627 /nfs/dbraw/zinc/17/56/27/1024175627.db2.gz RAHBHQYDWKZVQB-UHFFFAOYSA-N -1 3 379.273 3.612 20 10 GHCDHM [O-]c1c(Br)cc(Cl)cc1CN1CCC2(C[C@H](F)CO2)CC1 ZINC001141374225 1024767766 /nfs/dbraw/zinc/76/77/66/1024767766.db2.gz CBKACUSQSRVBPL-LBPRGKRZSA-N -1 3 378.669 3.901 20 10 GHCDHM CC(C)(C)OC(=O)N1CCCC2(CN(Cc3c(F)ccc(F)c3[O-])C2)CC1 ZINC001139685273 1026538471 /nfs/dbraw/zinc/53/84/71/1026538471.db2.gz DBLJOQDATGKWBS-UHFFFAOYSA-N -1 3 382.451 3.893 20 10 GHCDHM CC(C)(C)OC(=O)N[C@H]1CCCN(Cc2c([O-])cccc2Br)C1 ZINC001140098925 1026876495 /nfs/dbraw/zinc/87/64/95/1026876495.db2.gz TULULANHRKXJCG-LBPRGKRZSA-N -1 3 385.302 3.644 20 10 GHCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001203580379 1027449264 /nfs/dbraw/zinc/44/92/64/1027449264.db2.gz VORNCOSWHVACAW-KXBFYZLASA-N -1 3 395.286 3.906 20 10 GHCDHM [O-]c1cccc(Br)c1CNCc1nc(-c2ccncc2)cs1 ZINC001203581808 1027451084 /nfs/dbraw/zinc/45/10/84/1027451084.db2.gz YDWQVTIVISLJAE-UHFFFAOYSA-N -1 3 376.279 3.963 20 10 GHCDHM C[C@@H]1CN(C(=O)c2ccccc2)CCN1Cc1cc(Br)ccc1[O-] ZINC001203648006 1027505717 /nfs/dbraw/zinc/50/57/17/1027505717.db2.gz BKEBFXAPZUKVMP-CQSZACIVSA-N -1 3 389.293 3.501 20 10 GHCDHM CCOc1ccc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)cc1Br ZINC001215325258 1029153233 /nfs/dbraw/zinc/15/32/33/1029153233.db2.gz IUWOIENNWFSMEX-UHFFFAOYSA-N -1 3 393.193 3.682 20 10 GHCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccc(F)c(Br)c2F)no1 ZINC001215325312 1029153807 /nfs/dbraw/zinc/15/38/07/1029153807.db2.gz LNOTYNLTFIMEQE-UHFFFAOYSA-N -1 3 385.120 3.561 20 10 GHCDHM Cc1ccc(C)n1-c1ccc(-c2noc(-c3ccccc3-c3nnn[n-]3)n2)cc1 ZINC001216014263 1029491371 /nfs/dbraw/zinc/49/13/71/1029491371.db2.gz JLBQUGFPVHGKFK-UHFFFAOYSA-N -1 3 383.415 3.991 20 10 GHCDHM Cc1ccc(C)n1-c1ccc(-c2noc(-c3ccccc3-c3nn[n-]n3)n2)cc1 ZINC001216014263 1029491376 /nfs/dbraw/zinc/49/13/76/1029491376.db2.gz JLBQUGFPVHGKFK-UHFFFAOYSA-N -1 3 383.415 3.991 20 10 GHCDHM O=C1N(CC2CCCC2)CC[C@@]12CCCN2Cc1cc(F)c(Cl)cc1[O-] ZINC001276967940 1030981612 /nfs/dbraw/zinc/98/16/12/1030981612.db2.gz VYAJDNAMRDZKQK-FQEVSTJZSA-N -1 3 380.891 3.942 20 10 GHCDHM Cc1nn(C)c2sc(C(=O)NCc3cc(Cl)c4cccnc4c3[O-])cc12 ZINC001153469400 1031607146 /nfs/dbraw/zinc/60/71/46/1031607146.db2.gz HPYPFIAYKACLDV-UHFFFAOYSA-N -1 3 386.864 3.780 20 10 GHCDHM [O-]c1cc(Br)ccc1CN1CCN(c2cccc3[nH]ccc32)CC1 ZINC001207136541 1034119102 /nfs/dbraw/zinc/11/91/02/1034119102.db2.gz YDAHEHSRSWALCJ-UHFFFAOYSA-N -1 3 386.293 3.958 20 10 GHCDHM CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(Br)c(F)cc1[O-] ZINC001276517652 1034212096 /nfs/dbraw/zinc/21/20/96/1034212096.db2.gz GLCPSERNYLDCEN-HZPDHXFCSA-N -1 3 399.304 3.659 20 10 GHCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccc(Br)cc3)C2)c([O-])c1 ZINC001231455894 1034598813 /nfs/dbraw/zinc/59/88/13/1034598813.db2.gz WQTRMTKEDKYMOJ-AWEZNQCLSA-N -1 3 376.250 3.842 20 10 GHCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@H](c3ccc(Br)cc3)C2)c([O-])c1 ZINC001231455894 1034598818 /nfs/dbraw/zinc/59/88/18/1034598818.db2.gz WQTRMTKEDKYMOJ-AWEZNQCLSA-N -1 3 376.250 3.842 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@@]23CCN(CC(C)C)C3=O)c1 ZINC001277540386 1034754591 /nfs/dbraw/zinc/75/45/91/1034754591.db2.gz LADJHPBLDCABNP-IBGZPJMESA-N -1 3 395.341 3.686 20 10 GHCDHM COc1cc([O-])c(CN2CCCC[C@@](C)(F)C2)cc1I ZINC001248461967 1035887125 /nfs/dbraw/zinc/88/71/25/1035887125.db2.gz IQCUWCSRFNPPQG-OAHLLOKOSA-N -1 3 393.240 3.720 20 10 GHCDHM O=C(c1ccc(Cl)cc1)N1CCCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232263069 1037985168 /nfs/dbraw/zinc/98/51/68/1037985168.db2.gz DVDMTTWBTCQGSA-UHFFFAOYSA-N -1 3 395.286 3.753 20 10 GHCDHM CCOC(=O)C1(N(Cc2ccccc2)Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232264977 1037986083 /nfs/dbraw/zinc/98/60/83/1037986083.db2.gz MJAJAJKBNWVYQH-UHFFFAOYSA-N -1 3 375.852 3.849 20 10 GHCDHM [O-]c1cc(I)ccc1CN1CCC[C@@H]1c1nccs1 ZINC001232979644 1038747384 /nfs/dbraw/zinc/74/73/84/1038747384.db2.gz HUJPMHUDHOKYRW-GFCCVEGCSA-N -1 3 386.258 3.790 20 10 GHCDHM [O-]c1cc(I)ccc1CN1CCOC2(CCCCC2)C1 ZINC001232980781 1038749189 /nfs/dbraw/zinc/74/91/89/1038749189.db2.gz WEUXWEWXSGSDMO-UHFFFAOYSA-N -1 3 387.261 3.532 20 10 GHCDHM [O-]c1cc(Br)cc(F)c1CN1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001233031820 1038785365 /nfs/dbraw/zinc/78/53/65/1038785365.db2.gz NRSPVZUVOSJULK-HOTGVXAUSA-N -1 3 391.284 3.753 20 10 GHCDHM CCOC(=O)C[C@H]1CCN(Cc2c([O-])cc(Br)cc2F)C[C@@H]1C ZINC001233033439 1038788455 /nfs/dbraw/zinc/78/84/55/1038788455.db2.gz OBCCAEFYLPIDNN-NWDGAFQWSA-N -1 3 388.277 3.705 20 10 GHCDHM COc1cc([O-])c(CN2CCc3c(cccc3OC)C2)cc1Br ZINC001233140980 1038919343 /nfs/dbraw/zinc/91/93/43/1038919343.db2.gz ARNFPPWIJFMTFZ-UHFFFAOYSA-N -1 3 378.266 3.730 20 10 GHCDHM COc1cc([O-])c(CN(C)Cc2nc3ccccc3o2)cc1Br ZINC001233140800 1038919502 /nfs/dbraw/zinc/91/95/02/1038919502.db2.gz UFPFLQTZPJAJSZ-UHFFFAOYSA-N -1 3 377.238 3.937 20 10 GHCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCCC(F)(F)CC2)c1 ZINC001233306289 1039096120 /nfs/dbraw/zinc/09/61/20/1039096120.db2.gz LSFMUQSFWZNTFR-UHFFFAOYSA-N -1 3 378.213 3.563 20 10 GHCDHM CC(C)n1nc(CN(C)C)c2c1CN(Cc1cccc(C(F)(F)F)c1[O-])CC2 ZINC001233416424 1039271601 /nfs/dbraw/zinc/27/16/01/1039271601.db2.gz HPEIBOUFAJFGIF-UHFFFAOYSA-N -1 3 396.457 3.808 20 10 GHCDHM CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CN2Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233416567 1039272107 /nfs/dbraw/zinc/27/21/07/1039272107.db2.gz NDULYLFMDPBMFB-HIFRSBDPSA-N -1 3 386.414 3.852 20 10 GHCDHM CCOC(=O)c1coc(C2CCN(Cc3cccc(C(F)(F)F)c3[O-])CC2)n1 ZINC001233419045 1039279347 /nfs/dbraw/zinc/27/93/47/1039279347.db2.gz HKNYKBHKVSKHGX-UHFFFAOYSA-N -1 3 398.381 3.955 20 10 GHCDHM COc1ccc(N2CCN(Cc3cccc(C(F)(F)F)c3[O-])CC2)c(OC)c1 ZINC001233419195 1039280103 /nfs/dbraw/zinc/28/01/03/1039280103.db2.gz MYXLJMWBEPWEAV-UHFFFAOYSA-N -1 3 396.409 3.750 20 10 GHCDHM COC(=O)[C@@H]1[C@@H](c2ccccc2)OCCN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233456134 1039350229 /nfs/dbraw/zinc/35/02/29/1039350229.db2.gz MIAINZRSBABVJL-ZWKOTPCHSA-N -1 3 395.377 3.526 20 10 GHCDHM COc1ccc2ccc([O-])c(CN3CCn4c(Br)cnc4C3)c2c1 ZINC001234552674 1040121883 /nfs/dbraw/zinc/12/18/83/1040121883.db2.gz FKPSYPKULXYUSF-UHFFFAOYSA-N -1 3 388.265 3.529 20 10 GHCDHM COc1ccc2ccc([O-])c(CN3Cc4nnc(C(F)(F)F)n4[C@H](C)C3)c2c1 ZINC001234569949 1040138301 /nfs/dbraw/zinc/13/83/01/1040138301.db2.gz VANLMJHQMDRXEV-LLVKDONJSA-N -1 3 392.381 3.741 20 10 GHCDHM [O-]c1c(F)cc(Br)cc1CN1CCN(Cc2ccccc2)CC1 ZINC001235058437 1040547976 /nfs/dbraw/zinc/54/79/76/1040547976.db2.gz MEQAIUUXNIRVSI-UHFFFAOYSA-N -1 3 379.273 3.612 20 10 GHCDHM CCc1ccc(S(=O)(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc1 ZINC001255101119 1040782520 /nfs/dbraw/zinc/78/25/20/1040782520.db2.gz QCXPJTZMUKMOED-UHFFFAOYSA-N -1 3 376.865 3.635 20 10 GHCDHM Cc1cnc(O[C@H]2CCCN(Cc3cc(C)cc(Br)c3[O-])C2)nc1 ZINC001236669428 1041816985 /nfs/dbraw/zinc/81/69/85/1041816985.db2.gz JEJXKGRDGUZAKW-HNNXBMFYSA-N -1 3 392.297 3.605 20 10 GHCDHM COc1cc([O-])c(CN2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c(Cl)c1 ZINC001236795039 1041899944 /nfs/dbraw/zinc/89/99/44/1041899944.db2.gz ICTLSQZYVJLXOU-BETUJISGSA-N -1 3 382.888 3.638 20 10 GHCDHM COc1ccc(CN2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c([O-])c1Cl ZINC001236802241 1041904271 /nfs/dbraw/zinc/90/42/71/1041904271.db2.gz PXWPQBRGRIVVEY-OXJNMPFZSA-N -1 3 381.900 3.604 20 10 GHCDHM COc1ccc(CN2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)c([O-])c1Cl ZINC001236803113 1041905258 /nfs/dbraw/zinc/90/52/58/1041905258.db2.gz FNKNANPPMHDZKV-AWEZNQCLSA-N -1 3 392.931 3.668 20 10 GHCDHM COc1cc([O-])c(CN2CC[C@@H]2COCc2ccccc2)c(Br)c1 ZINC001237073210 1042022456 /nfs/dbraw/zinc/02/24/56/1042022456.db2.gz QAEMYFKWIZRTOZ-OAHLLOKOSA-N -1 3 392.293 3.954 20 10 GHCDHM O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)N(Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001237080504 1042026569 /nfs/dbraw/zinc/02/65/69/1042026569.db2.gz DLPBGBNGQNUZFZ-RYUDHWBXSA-N -1 3 381.259 3.639 20 10 GHCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001237080429 1042026908 /nfs/dbraw/zinc/02/69/08/1042026908.db2.gz LZXLEVCGUABQTM-KUHUBIRLSA-N -1 3 395.286 3.906 20 10 GHCDHM CC(C)(C)NC(=O)CO[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237084590 1042028643 /nfs/dbraw/zinc/02/86/43/1042028643.db2.gz LMXAIDPDTFXZFN-LBPRGKRZSA-N -1 3 389.323 3.595 20 10 GHCDHM CN(Cc1c([O-])ccc(Cl)c1Cl)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001237087021 1042029831 /nfs/dbraw/zinc/02/98/31/1042029831.db2.gz SCMMXXKINOWFJE-CDMJZVDBSA-N -1 3 387.307 3.996 20 10 GHCDHM O=C1C[C@H](c2ccccc2)C2(CCN(Cc3cc(F)cc(Cl)c3[O-])CC2)N1 ZINC001237800257 1042376318 /nfs/dbraw/zinc/37/63/18/1042376318.db2.gz MRNYTARFBBTHPE-QGZVFWFLSA-N -1 3 388.870 3.823 20 10 GHCDHM [O-]c1cc(Cl)c(F)cc1CN1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001237938250 1042429019 /nfs/dbraw/zinc/42/90/19/1042429019.db2.gz ZXXYQPINEBQNTO-QMMMGPOBSA-N -1 3 379.741 3.966 20 10 GHCDHM O=C(NC1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1)c1ccc(F)cc1 ZINC001237941468 1042430710 /nfs/dbraw/zinc/43/07/10/1042430710.db2.gz WTZNXRNAQZYSJM-UHFFFAOYSA-N -1 3 380.822 3.718 20 10 GHCDHM O=C(NCc1c(O)ccc2c1CCCC2)c1c[n-]c2c(Cl)cccc2c1=O ZINC001294870659 1044823832 /nfs/dbraw/zinc/82/38/32/1044823832.db2.gz ZCXSNHVAMUIZPA-UHFFFAOYSA-N -1 3 382.847 3.696 20 10 GHCDHM CCn1ccnc1CN1C[C@@H]2CCN(Cc3cc(Cl)c(Cl)cc3[O-])[C@@H]2C1 ZINC001279665531 1047906025 /nfs/dbraw/zinc/90/60/25/1047906025.db2.gz QDNPRLRAJLIWRE-SUMWQHHRSA-N -1 3 395.334 3.622 20 10 GHCDHM COC(=O)CN(Cc1cc2ccncc2s1)Cc1cc(Cl)ccc1[O-] ZINC001308626529 1050038929 /nfs/dbraw/zinc/03/89/29/1050038929.db2.gz ASLPKDOJXYYWRV-UHFFFAOYSA-N -1 3 376.865 3.831 20 10 GHCDHM CC[C@@H]1CCCN1c1nnc(-c2sc3ncccc3c2[O-])n1C[C@H]1CCOC1 ZINC001345194213 1054934189 /nfs/dbraw/zinc/93/41/89/1054934189.db2.gz PFHLGMZGDHCWNA-ZIAGYGMSSA-N -1 3 399.520 3.676 20 10 GHCDHM Cc1cc(CN2CCN(C(=O)c3ccccc3[O-])CC2)ccc1N1CCCCC1 ZINC001473245399 1073885905 /nfs/dbraw/zinc/88/59/05/1073885905.db2.gz QAEXVYSFWZAFFM-UHFFFAOYSA-N -1 3 393.531 3.649 20 10 GHCDHM Cc1cc(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227670 598610357 /nfs/dbraw/zinc/61/03/57/598610357.db2.gz PDAAOLOBMXVTQN-AUUYWEPGSA-N -1 3 392.507 3.925 20 10 GHCDHM O=C([O-])[C@@H]1CC12CC[NH+](Cc1c([O-])ccc3cc(Br)ccc31)CC2 ZINC000739532557 600280910 /nfs/dbraw/zinc/28/09/10/600280910.db2.gz NNTCOYXGHUZTEP-INIZCTEOSA-N -1 3 390.277 3.995 20 10 GHCDHM C[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)SC1=S ZINC000820570778 606393450 /nfs/dbraw/zinc/39/34/50/606393450.db2.gz RDQNGZMNVSDINH-AHEVQNHNSA-N -1 3 399.526 3.891 20 10 GHCDHM CC[C@H](C)NS(=O)(=O)Cc1cccc(N[C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000186492542 856420461 /nfs/dbraw/zinc/42/04/61/856420461.db2.gz LAIORHKHOFGGAC-KBPBESRZSA-N -1 3 380.485 3.922 20 10 GHCDHM C[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(Br)cn1 ZINC000793331384 882110012 /nfs/dbraw/zinc/11/00/12/882110012.db2.gz ADHPQCXNRADGTQ-QMMMGPOBSA-N -1 3 386.633 3.962 20 10 GHCDHM Cc1cc(C(F)(F)F)nc2[nH]nc(NC(=O)c3cc(O)c([O-])c(Cl)c3)c21 ZINC001193589508 871176107 /nfs/dbraw/zinc/17/61/07/871176107.db2.gz LEDWEIGIGDINGU-UHFFFAOYSA-N -1 3 386.717 3.602 20 10 GHCDHM CC[C@@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000182731367 872712365 /nfs/dbraw/zinc/71/23/65/872712365.db2.gz HCTWJELKBIPDIU-QGZVFWFLSA-N -1 3 377.510 3.696 20 10 GHCDHM CN(CC(=O)Nc1ccccc1Cl)Cc1cc(Br)ccc1[O-] ZINC000768174629 873130154 /nfs/dbraw/zinc/13/01/54/873130154.db2.gz YXHPFNWTMGLIOD-UHFFFAOYSA-N -1 3 383.673 3.879 20 10 GHCDHM [O-]c1ccc(Cl)cc1CN(CCO)Cc1cc(Br)ccc1F ZINC000769224647 873903278 /nfs/dbraw/zinc/90/32/78/873903278.db2.gz VWWVJAYJZQAVRF-UHFFFAOYSA-N -1 3 388.664 3.942 20 10 GHCDHM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769836243 874316487 /nfs/dbraw/zinc/31/64/87/874316487.db2.gz ZETFCEXEUFFXOW-IBGZPJMESA-N -1 3 390.505 3.541 20 10 GHCDHM CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000772179438 875735943 /nfs/dbraw/zinc/73/59/43/875735943.db2.gz RRXLNHOVGMPYCJ-KRWDZBQOSA-N -1 3 391.811 3.939 20 10 GHCDHM C[C@H](NCc1c(C(F)(F)F)cnn1C)c1cc(Br)cc(F)c1[O-] ZINC000858452603 883109350 /nfs/dbraw/zinc/10/93/50/883109350.db2.gz MLCIIDLPTMRUGJ-ZETCQYMHSA-N -1 3 396.182 3.897 20 10 GHCDHM [O-]c1c(Br)cccc1CN1CCC[C@@H](Oc2ncccc2F)C1 ZINC000787288156 877297295 /nfs/dbraw/zinc/29/72/95/877297295.db2.gz IJOPTROCLPEVDD-CYBMUJFWSA-N -1 3 381.245 3.732 20 10 GHCDHM CC(=O)OC[C@H](C(=O)NCc1cc(Cl)c2cccnc2c1[O-])c1ccccc1 ZINC001183110863 912293042 /nfs/dbraw/zinc/29/30/42/912293042.db2.gz GZNNBYVUOOWIKE-KRWDZBQOSA-N -1 3 398.846 3.557 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2nccc(C(F)(F)F)n2)c1[O-] ZINC000852477335 878364006 /nfs/dbraw/zinc/36/40/06/878364006.db2.gz RLAIFXBVYWTQSK-CQSZACIVSA-N -1 3 383.345 3.880 20 10 GHCDHM Cc1cc(C)c(N2CC[C@@H](N[C@@H](C)c3cc([N+](=O)[O-])ccc3[O-])C2=O)c(C)c1 ZINC000788986075 878494922 /nfs/dbraw/zinc/49/49/22/878494922.db2.gz ZEPCJDFHRMRWGI-MAUKXSAKSA-N -1 3 383.448 3.682 20 10 GHCDHM COC(=O)CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)Cc1cc(Cl)ccc1[O-] ZINC000761510744 879197648 /nfs/dbraw/zinc/19/76/48/879197648.db2.gz FUCIUYAKMIRDSE-UHFFFAOYSA-N -1 3 399.230 3.782 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000790577896 879866392 /nfs/dbraw/zinc/86/63/92/879866392.db2.gz VIKBMVKVUZPRKG-UHFFFAOYSA-N -1 3 387.233 3.540 20 10 GHCDHM CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)c2cccc(O)c2[O-])C1 ZINC000790715315 879948420 /nfs/dbraw/zinc/94/84/20/879948420.db2.gz AKXVRWNCVKIFMS-UHFFFAOYSA-N -1 3 384.432 3.643 20 10 GHCDHM O=C(NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1cccc(O)c1[O-] ZINC000790938757 880115543 /nfs/dbraw/zinc/11/55/43/880115543.db2.gz MVAIDYFQNKKBHG-AWEZNQCLSA-N -1 3 380.469 3.757 20 10 GHCDHM COc1ccc(N2CCCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)cc1 ZINC000792077836 880883718 /nfs/dbraw/zinc/88/37/18/880883718.db2.gz XMSQXTFSBNCTLP-UHFFFAOYSA-N -1 3 376.456 3.907 20 10 GHCDHM CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001142509191 884311559 /nfs/dbraw/zinc/31/15/59/884311559.db2.gz ZZJWWBMYWAKWCL-HXUWFJFHSA-N -1 3 382.451 3.893 20 10 GHCDHM Cc1cc(N2CCOCC2)ncc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168524243 884465243 /nfs/dbraw/zinc/46/52/43/884465243.db2.gz YEYWAIDUGZIJDR-UHFFFAOYSA-N -1 3 384.867 3.746 20 10 GHCDHM C[C@H]1c2nnc(C3CCCC3)n2CCN1Cc1c([O-])cccc1Br ZINC000862369043 886329795 /nfs/dbraw/zinc/32/97/95/886329795.db2.gz OZQVGBSWDNTOES-LBPRGKRZSA-N -1 3 391.313 3.981 20 10 GHCDHM O=C(CC(F)(F)F)NC[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000809689739 887666152 /nfs/dbraw/zinc/66/61/52/887666152.db2.gz BZVFPPCVYWHVDZ-JTQLQIEISA-N -1 3 399.240 3.980 20 10 GHCDHM COc1ccc(CN[C@H](C)c2cc(Br)cc(F)c2[O-])c(OC)n1 ZINC000810260773 888324300 /nfs/dbraw/zinc/32/43/00/888324300.db2.gz PHGFZAQWEVIGDG-SECBINFHSA-N -1 3 385.233 3.557 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cc(OC)c(OC)c(C)c2OC)c1 ZINC000794842372 888384894 /nfs/dbraw/zinc/38/48/94/888384894.db2.gz SZCUELHELOCDMM-GFCCVEGCSA-N -1 3 375.421 3.686 20 10 GHCDHM CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816481369 894850525 /nfs/dbraw/zinc/85/05/25/894850525.db2.gz SLFMPYGUMWRILV-UHFFFAOYSA-N -1 3 393.846 3.604 20 10 GHCDHM COc1c([O-])c(CN2CCCc3c(OC(F)F)cccc32)ccc1[N+](=O)[O-] ZINC000816664137 895008125 /nfs/dbraw/zinc/00/81/25/895008125.db2.gz WDOJCFXCYTWRQU-UHFFFAOYSA-N -1 3 380.347 3.863 20 10 GHCDHM COc1c([O-])c(CN2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000774906622 913991817 /nfs/dbraw/zinc/99/18/17/913991817.db2.gz CJCBKTGVIPVNJZ-BEFAXECRSA-N -1 3 386.448 3.888 20 10 GHCDHM CCCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1CCC[C@H](C)C1 ZINC000818801487 896243127 /nfs/dbraw/zinc/24/31/27/896243127.db2.gz APUKRMUZFYIQQD-GOEBONIOSA-N -1 3 382.526 3.585 20 10 GHCDHM Cc1c(NCc2cc(C)cc(Br)c2[O-])cnn1C1CCOCC1 ZINC000824516777 899653010 /nfs/dbraw/zinc/65/30/10/899653010.db2.gz ODBQVANVPFOYSS-UHFFFAOYSA-N -1 3 380.286 3.932 20 10 GHCDHM C[C@H](NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1c([O-])cccc1F ZINC000886607821 901187148 /nfs/dbraw/zinc/18/71/48/901187148.db2.gz ZHICXBWWYOMASO-XMHCIUCPSA-N -1 3 397.450 3.607 20 10 GHCDHM [O-]c1cc(F)c(Br)cc1CN1CCC(O)(Cc2ccccc2)CC1 ZINC001144298396 901646494 /nfs/dbraw/zinc/64/64/94/901646494.db2.gz CVQMYRKBMZDYNZ-UHFFFAOYSA-N -1 3 394.284 3.863 20 10 GHCDHM CCOC(=O)CCC1CCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144299568 901649301 /nfs/dbraw/zinc/64/93/01/901649301.db2.gz AMDVTHLIWBNHCB-UHFFFAOYSA-N -1 3 388.277 3.849 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000778981773 902490325 /nfs/dbraw/zinc/49/03/25/902490325.db2.gz QQCSKMRUVKKGNP-TZMCWYRMSA-N -1 3 396.915 3.983 20 10 GHCDHM Cc1cc([O-])c(CN2CCn3c(Cc4ccccc4F)nnc3C2)c(Cl)c1 ZINC000846017427 902598004 /nfs/dbraw/zinc/59/80/04/902598004.db2.gz FDHQFFJEYHLNIA-UHFFFAOYSA-N -1 3 386.858 3.691 20 10 GHCDHM CC(C)(C)OC(=O)c1c(NC(=O)c2cccc(O)c2[O-])onc1-c1ccccc1 ZINC001148212323 904008196 /nfs/dbraw/zinc/00/81/96/904008196.db2.gz XJGWQWQHVJDQAW-UHFFFAOYSA-N -1 3 396.399 3.960 20 10 GHCDHM COc1ccccc1C1(NC(=O)c2cccc(O)c2[O-])CCC(F)(F)CC1 ZINC001148224146 904010188 /nfs/dbraw/zinc/01/01/88/904010188.db2.gz DJRXJBLOFHJCML-UHFFFAOYSA-N -1 3 377.387 3.941 20 10 GHCDHM COc1ccc([C@@H](CN(C)C(=O)c2cccc(O)c2[O-])C2(O)CCCCC2)cc1 ZINC001148218845 904010341 /nfs/dbraw/zinc/01/03/41/904010341.db2.gz NEQXRGWESKHMPW-LJQANCHMSA-N -1 3 399.487 3.657 20 10 GHCDHM COc1c([O-])c(CN[C@@H](c2cccc(C)c2)c2ccccn2)ccc1[N+](=O)[O-] ZINC000365806261 921177156 /nfs/dbraw/zinc/17/71/56/921177156.db2.gz OHBWNMNEEWNNNT-IBGZPJMESA-N -1 3 379.416 3.892 20 10 GHCDHM Cc1[nH]c(=S)sc1CC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001177602114 908663132 /nfs/dbraw/zinc/66/31/32/908663132.db2.gz QEHDNNLRBKSTSV-UHFFFAOYSA-N -1 3 379.894 3.506 20 10 GHCDHM O=C(CCCC(=O)c1ccc(Br)cc1)NCc1c([O-])cccc1F ZINC001178412867 909049468 /nfs/dbraw/zinc/04/94/68/909049468.db2.gz IQFNMZUZOIYAJL-UHFFFAOYSA-N -1 3 394.240 3.963 20 10 GHCDHM COc1ccc2c(c1)OCC(C(=O)NCc1cc(Cl)c3cccnc3c1[O-])=C2 ZINC001182670786 911935763 /nfs/dbraw/zinc/93/57/63/911935763.db2.gz WLQWTEKNBJUSQM-UHFFFAOYSA-N -1 3 396.830 3.695 20 10 GHCDHM CCOc1ccc([N+](=O)[O-])cc1CNCc1cccc(Br)c1[O-] ZINC000775151876 915591739 /nfs/dbraw/zinc/59/17/39/915591739.db2.gz JDOHMYDWEGMONP-UHFFFAOYSA-N -1 3 381.226 3.751 20 10 GHCDHM CC(=O)Nc1ccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc1C ZINC001191461549 918027969 /nfs/dbraw/zinc/02/79/69/918027969.db2.gz KEVFUIBOYCFSBN-UHFFFAOYSA-N -1 3 383.835 3.791 20 10 GHCDHM C[C@@H](NCc1ncc(C(F)(F)F)cn1)c1cc(Br)ccc1[O-] ZINC000296371603 918197439 /nfs/dbraw/zinc/19/74/39/918197439.db2.gz JEZPESLIGQSCOO-MRVPVSSYSA-N -1 3 376.176 3.814 20 10 GHCDHM CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)Cc1cc(F)ccc1[O-] ZINC000800533232 920247590 /nfs/dbraw/zinc/24/75/90/920247590.db2.gz LHTVHNJSDYTSPY-UHFFFAOYSA-N -1 3 385.266 3.976 20 10 GHCDHM COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc(O)c1[O-] ZINC000800564193 920273988 /nfs/dbraw/zinc/27/39/88/920273988.db2.gz CIIIHKZTIHFQGE-UHFFFAOYSA-N -1 3 375.384 3.902 20 10 GHCDHM CC(=O)c1cc(F)cc(CN(C)[C@H](c2cnn(C)c2)c2cccc(F)c2)c1[O-] ZINC000750823874 927875883 /nfs/dbraw/zinc/87/58/83/927875883.db2.gz XKJOXJMASQAFSU-FQEVSTJZSA-N -1 3 385.414 3.828 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN(C)CC(=O)N(C)C2CCCCC2)c1 ZINC000781895849 931016309 /nfs/dbraw/zinc/01/63/09/931016309.db2.gz FNJFNYGQXSFCBT-UHFFFAOYSA-N -1 3 383.330 3.686 20 10 GHCDHM C[C@H](NCc1cc(C(F)(F)F)nn1C)c1cc(Br)c(F)cc1[O-] ZINC000926928621 932352913 /nfs/dbraw/zinc/35/29/13/932352913.db2.gz NVOWCPAGFOTNKO-ZETCQYMHSA-N -1 3 396.182 3.897 20 10 GHCDHM COc1c([O-])c(CNc2ccc(C(=O)N3CCCC[C@H]3C)cc2)ccc1[N+](=O)[O-] ZINC000798079918 932521355 /nfs/dbraw/zinc/52/13/55/932521355.db2.gz OVORAEYVTDCHMY-CQSZACIVSA-N -1 3 399.447 3.936 20 10 GHCDHM Cc1ccc([C@@H](NCc2c([O-])ccc(Cl)c2F)[C@H](C)S(C)(=O)=O)cc1 ZINC000798088783 932525334 /nfs/dbraw/zinc/52/53/34/932525334.db2.gz VHFRHKMGZBQGCR-SGTLLEGYSA-N -1 3 385.888 3.757 20 10 GHCDHM CC(C)Oc1ccc([C@H](C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])N(C)C)cc1 ZINC001591777007 975930874 /nfs/dbraw/zinc/93/08/74/975930874.db2.gz WRMXQCBLOQQPBH-QRWLVFNGSA-N -1 3 386.492 3.831 20 10 GHCDHM CC[C@@]([NH2+]Cc1cc(Br)cc(C)c1[O-])(C(=O)[O-])c1ccccc1 ZINC001595298264 980415070 /nfs/dbraw/zinc/41/50/70/980415070.db2.gz FASMEMPNPOTQDD-SFHVURJKSA-N -1 3 378.266 3.943 20 10 GHCDHM COc1ccc([C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C(=O)[O-])c(OC)c1 ZINC001599528547 997606826 /nfs/dbraw/zinc/60/68/26/997606826.db2.gz ZAJMCWBDFZIETJ-JOCHJYFZSA-N -1 3 393.439 3.992 20 10 GHCDHM COc1ccc(CN2[C@@H](C)CCC[C@@H]2C)c([O-])c1I ZINC001248476373 1035903437 /nfs/dbraw/zinc/90/34/37/1035903437.db2.gz DVMQJSGXISMQKM-QWRGUYRKSA-N -1 3 375.250 3.768 20 10 GHCDHM COC(=O)[C@@H](Oc1c(O)c([O-])ccc1C(=O)c1ccccc1)c1ccccc1F ZINC001227942026 1032706595 /nfs/dbraw/zinc/70/65/95/1032706595.db2.gz ZMVATIZCABWRIQ-NRFANRHFSA-N -1 3 396.370 3.761 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000801573185 1021412712 /nfs/dbraw/zinc/41/27/12/1021412712.db2.gz CWOPWSJUEVPKJE-HXUWFJFHSA-N -1 3 396.915 3.985 20 10 GHCDHM CCn1cc(CN(Cc2c(C)nn(C)c2C)Cc2c([O-])cccc2Cl)cn1 ZINC001140343961 1021458209 /nfs/dbraw/zinc/45/82/09/1021458209.db2.gz AUTQWARJUUXZJX-UHFFFAOYSA-N -1 3 387.915 3.815 20 10 GHCDHM CCOC[C@@H]1CN(Cc2ccc(Cl)cc2[O-])Cc2cnn(CC3CC3)c21 ZINC001140465736 1021760043 /nfs/dbraw/zinc/76/00/43/1021760043.db2.gz SKQMNNXJQZCSKE-KRWDZBQOSA-N -1 3 375.900 3.788 20 10 GHCDHM Cc1ccc(C(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)c([O-])c1O ZINC001138212314 1024373421 /nfs/dbraw/zinc/37/34/21/1024373421.db2.gz RAGHUCYXNWIJMC-AWEZNQCLSA-N -1 3 381.457 3.978 20 10 GHCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCN(Cc2ccc(F)cc2)C[C@H]1C ZINC001139127613 1025940426 /nfs/dbraw/zinc/94/04/26/1025940426.db2.gz ZBMMBVLXQYEEEX-MRXNPFEDSA-N -1 3 396.462 3.652 20 10 GHCDHM C[C@@H]1CN(Cc2c([O-])cccc2Br)CCN1C(=O)OC(C)(C)C ZINC001140098872 1026875319 /nfs/dbraw/zinc/87/53/19/1026875319.db2.gz PYNLNIIOOJOFNY-GFCCVEGCSA-N -1 3 385.302 3.596 20 10 GHCDHM C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1Cc1cc(Br)ccc1[O-] ZINC001203636343 1027496291 /nfs/dbraw/zinc/49/62/91/1027496291.db2.gz USRSLMMUSJAUPQ-CYBMUJFWSA-N -1 3 399.329 3.986 20 10 GHCDHM O=C1CN(Cc2cc(Br)ccc2[O-])CCN1c1ccccc1Cl ZINC001203647955 1027505944 /nfs/dbraw/zinc/50/59/44/1027505944.db2.gz APUFNDDNIZXORM-UHFFFAOYSA-N -1 3 395.684 3.657 20 10 GHCDHM C[C@@H](NCc1nccc(C(F)(F)F)n1)c1ccc(Br)cc1[O-] ZINC000840870427 1027908753 /nfs/dbraw/zinc/90/87/53/1027908753.db2.gz ZYLWQAPVDUTELK-MRVPVSSYSA-N -1 3 376.176 3.814 20 10 GHCDHM CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1c([O-])cc(C)cc1Cl ZINC000840907431 1027942590 /nfs/dbraw/zinc/94/25/90/1027942590.db2.gz DOQMYHLZTHZQSN-UHFFFAOYSA-N -1 3 389.883 3.773 20 10 GHCDHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2COC)cc1 ZINC000840914882 1027953455 /nfs/dbraw/zinc/95/34/55/1027953455.db2.gz HTOVGMCPKAYDIG-UHFFFAOYSA-N -1 3 379.478 3.908 20 10 GHCDHM CN(C)c1ccc(Br)cc1-c1noc(-c2cccc(O)c2[O-])n1 ZINC001215145964 1029059536 /nfs/dbraw/zinc/05/95/36/1029059536.db2.gz UXWDYGCNGWDCCI-UHFFFAOYSA-N -1 3 376.210 3.643 20 10 GHCDHM Cc1c(Br)ccc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)c1F ZINC001215327510 1029155309 /nfs/dbraw/zinc/15/53/09/1029155309.db2.gz DXTOYANXDQAUMH-UHFFFAOYSA-N -1 3 381.157 3.730 20 10 GHCDHM CCOC(OCC)c1ccc(F)c(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)c1 ZINC001215327824 1029156147 /nfs/dbraw/zinc/15/61/47/1029156147.db2.gz VQFCSDNWGGRDDB-UHFFFAOYSA-N -1 3 390.367 3.731 20 10 GHCDHM [O-]c1c(O)cc(-c2nc(-c3cc(Br)ccc3Cl)no2)cc1O ZINC001215327886 1029156254 /nfs/dbraw/zinc/15/62/54/1029156254.db2.gz YUWPNZVTYGYUIE-UHFFFAOYSA-N -1 3 383.585 3.936 20 10 GHCDHM C[C@@H]1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)C[C@@H]1C(=O)[O-] ZINC000843041135 1029782849 /nfs/dbraw/zinc/78/28/49/1029782849.db2.gz OURTYRZDDWODDR-ZBFHGGJFSA-N -1 3 395.341 3.982 20 10 GHCDHM CC(C)(C)N1CCC(Oc2cc([O-])c(O)c3c2C(=O)c2ccccc2C3=O)CC1 ZINC001229199476 1033336524 /nfs/dbraw/zinc/33/65/24/1033336524.db2.gz VSSFWCUMRQJLNI-UHFFFAOYSA-N -1 3 395.455 3.515 20 10 GHCDHM [O-]c1cccc(Br)c1CN1CCN(c2cccc(F)c2F)CC1 ZINC001205642822 1033508435 /nfs/dbraw/zinc/50/84/35/1033508435.db2.gz PEGXYAZKCLFVOH-UHFFFAOYSA-N -1 3 383.236 3.755 20 10 GHCDHM Cn1cc(-c2ccc(C3CC[NH+](Cc4ccc(C(=O)[O-])cc4[O-])CC3)cc2)cn1 ZINC001231453231 1034596638 /nfs/dbraw/zinc/59/66/38/1034596638.db2.gz IYKFIQIVVUFRKA-UHFFFAOYSA-N -1 3 391.471 3.871 20 10 GHCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@@H](c3ccc(Br)cc3)C2)c1 ZINC001231563868 1034712606 /nfs/dbraw/zinc/71/26/06/1034712606.db2.gz FQIUURPUOPEIKR-CQSZACIVSA-N -1 3 376.250 3.842 20 10 GHCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@@H](c3ccc(Br)cc3)C2)c1 ZINC001231563868 1034712620 /nfs/dbraw/zinc/71/26/20/1034712620.db2.gz FQIUURPUOPEIKR-CQSZACIVSA-N -1 3 376.250 3.842 20 10 GHCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2C[C@H]3c4ccccc4[C@@H](OCC4CC4)[C@H]3C2)c1 ZINC001231564849 1034715437 /nfs/dbraw/zinc/71/54/37/1034715437.db2.gz ZWMDYKUORKRMKR-JAXLGGSGSA-N -1 3 379.456 3.787 20 10 GHCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2C[C@H]3c4ccccc4[C@@H](OCC4CC4)[C@H]3C2)c1 ZINC001231564849 1034715448 /nfs/dbraw/zinc/71/54/48/1034715448.db2.gz ZWMDYKUORKRMKR-JAXLGGSGSA-N -1 3 379.456 3.787 20 10 GHCDHM Cc1cc([O-])c(CN2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)cc1Cl ZINC001231869835 1034956256 /nfs/dbraw/zinc/95/62/56/1034956256.db2.gz XDITXVSHCFBXHF-XFQXTVEOSA-N -1 3 388.895 3.807 20 10 GHCDHM CC(C)(C)OC(=O)N1CC2(C1)CCCCN2Cc1cc(Cl)c([O-])cc1O ZINC001232257367 1037980170 /nfs/dbraw/zinc/98/01/70/1037980170.db2.gz DBMJLAPWJDLMLH-UHFFFAOYSA-N -1 3 382.888 3.727 20 10 GHCDHM [O-]c1cc(O)c(CN2CCN(c3c(Cl)cncc3Cl)CC2)cc1Cl ZINC001232268788 1037991689 /nfs/dbraw/zinc/99/16/89/1037991689.db2.gz RURXDAKHJVQJFF-UHFFFAOYSA-N -1 3 388.682 3.775 20 10 GHCDHM [O-]c1cc(Br)cc(F)c1CN1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC001233034008 1038787830 /nfs/dbraw/zinc/78/78/30/1038787830.db2.gz ZIGUQLQQYSDXCC-KBPBESRZSA-N -1 3 391.284 3.862 20 10 GHCDHM COc1ccc2c(c1)CN(Cc1cc(Br)c(OC)cc1[O-])CC2 ZINC001233135069 1038916897 /nfs/dbraw/zinc/91/68/97/1038916897.db2.gz KVQYVDOYWXFYMB-UHFFFAOYSA-N -1 3 378.266 3.730 20 10 GHCDHM CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCN2Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416794 1039275410 /nfs/dbraw/zinc/27/54/10/1039275410.db2.gz WYPVIIYGFWIQOW-GJZGRUSLSA-N -1 3 386.414 3.995 20 10 GHCDHM CC(C)(C)OC(=O)N[C@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])CC[C@H]1F ZINC001233418553 1039279397 /nfs/dbraw/zinc/27/93/97/1039279397.db2.gz LVAFGZBBIDZSKA-KGLIPLIRSA-N -1 3 392.393 3.848 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2[O-])C1)c1ccccc1F ZINC001233419796 1039281695 /nfs/dbraw/zinc/28/16/95/1039281695.db2.gz MUMLUUNNJBJFHN-CQSZACIVSA-N -1 3 396.384 3.945 20 10 GHCDHM O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1)N1CCCCC1 ZINC001233420030 1039282288 /nfs/dbraw/zinc/28/22/88/1039282288.db2.gz WVUQGOVHQLFVIW-UHFFFAOYSA-N -1 3 385.430 3.571 20 10 GHCDHM COC(CN(Cc1ccccc1)Cc1cc(Br)cc(F)c1[O-])OC ZINC001235056978 1040546738 /nfs/dbraw/zinc/54/67/38/1040546738.db2.gz KVHHOMWVUZPOMF-UHFFFAOYSA-N -1 3 398.272 3.915 20 10 GHCDHM CC[C@@H]1N(Cc2cc(Br)cc(F)c2[O-])CCC[C@]12CCC(=O)N2C ZINC001235059282 1040549722 /nfs/dbraw/zinc/54/97/22/1040549722.db2.gz BDUPKVHVYRWDAR-YJBOKZPZSA-N -1 3 399.304 3.659 20 10 GHCDHM CCOC(=O)[C@@]1(C)CCCCN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235293785 1040765668 /nfs/dbraw/zinc/76/56/68/1040765668.db2.gz BSWWTHBMIJHXAW-KRWDZBQOSA-N -1 3 388.277 3.849 20 10 GHCDHM [O-]c1c(F)ccc(F)c1CN1CCN[C@H](c2cccc(Br)c2)C1 ZINC001235792156 1041286534 /nfs/dbraw/zinc/28/65/34/1041286534.db2.gz LWHPKBYGKROBKW-INIZCTEOSA-N -1 3 383.236 3.579 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CC[C@@](O)(C(F)(F)F)[C@H](C)C2)c1 ZINC001236663243 1041811119 /nfs/dbraw/zinc/81/11/19/1041811119.db2.gz KMNYLZCJUDDHCN-YGRLFVJLSA-N -1 3 382.220 3.598 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCN(C)c3nc(C)ccc3C2)c1 ZINC001236667131 1041814372 /nfs/dbraw/zinc/81/43/72/1041814372.db2.gz SIZBNVHUVSCZGK-UHFFFAOYSA-N -1 3 376.298 3.619 20 10 GHCDHM COc1cc(OC2CCN(Cc3ccc(OC)c(Cl)c3[O-])CC2)ccn1 ZINC001236809232 1041909620 /nfs/dbraw/zinc/90/96/20/1041909620.db2.gz KKJOOXSCBGQRHP-UHFFFAOYSA-N -1 3 378.856 3.501 20 10 GHCDHM O=C1c2cccc(F)c2CN1[C@@H]1CCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237128582 1042055139 /nfs/dbraw/zinc/05/51/39/1042055139.db2.gz SCRPXOLGNHSDGH-LLVKDONJSA-N -1 3 378.806 3.554 20 10 GHCDHM CN(Cc1cc(Cl)cc(F)c1[O-])C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001237623168 1042289441 /nfs/dbraw/zinc/28/94/41/1042289441.db2.gz JECRPLRZHVLIPW-GOSISDBHSA-N -1 3 378.875 3.518 20 10 GHCDHM COC(=O)CN(Cc1ccccc1)Cc1cc(Br)c(C)cc1[O-] ZINC001237682774 1042324205 /nfs/dbraw/zinc/32/42/05/1042324205.db2.gz SLMAMALDJOWEHL-UHFFFAOYSA-N -1 3 378.266 3.638 20 10 GHCDHM O=S(=O)([N-]c1ccc(O)cc1Br)c1cc(Cl)ccc1F ZINC001259457967 1045172202 /nfs/dbraw/zinc/17/22/02/1045172202.db2.gz GOPWJAGCDQTVEY-UHFFFAOYSA-N -1 3 380.622 3.748 20 10 GHCDHM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)cc1 ZINC001259726850 1045276722 /nfs/dbraw/zinc/27/67/22/1045276722.db2.gz ZQSMGSHXNCOCPQ-UHFFFAOYSA-N -1 3 391.493 3.684 20 10 GHCDHM Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCc2c([O-])cccc2F)ccc1C ZINC001303876139 1047526379 /nfs/dbraw/zinc/52/63/79/1047526379.db2.gz WKRZSHODHLZCMT-UHFFFAOYSA-N -1 3 380.419 3.990 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)c1nccc2c(Br)cccc21 ZINC001303876374 1047526653 /nfs/dbraw/zinc/52/66/53/1047526653.db2.gz ZAEFTBUMCVSUCK-UHFFFAOYSA-N -1 3 375.197 3.772 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN[C@H](CC(N)=O)c2ccccc2Cl)c1 ZINC001308351698 1049955815 /nfs/dbraw/zinc/95/58/15/1049955815.db2.gz XDHBLAHZSMDSHZ-OAHLLOKOSA-N -1 3 397.700 3.823 20 10 GHCDHM C[C@H](CNC(=O)NCc1c([O-])cccc1F)c1ccc(Br)cc1 ZINC001313357263 1053030146 /nfs/dbraw/zinc/03/01/46/1053030146.db2.gz ZTBRVKCCTYVFKG-LLVKDONJSA-N -1 3 381.245 3.897 20 10 GHCDHM CC(C)(C)OC(=O)Nc1cc(C(=O)NCc2c([O-])cccc2F)ccc1F ZINC001456029206 1062419375 /nfs/dbraw/zinc/41/93/75/1062419375.db2.gz KTGWIXLAQDBKER-UHFFFAOYSA-N -1 3 378.375 3.947 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC001456031448 1062420484 /nfs/dbraw/zinc/42/04/84/1062420484.db2.gz XHSVXMSGYPFTHX-UHFFFAOYSA-N -1 3 380.206 3.954 20 10 GHCDHM CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)NCc2c([O-])cccc2F)CC1=O ZINC001456090548 1062476978 /nfs/dbraw/zinc/47/69/78/1062476978.db2.gz LYGWGNXVFAWVRJ-CABCVRRESA-N -1 3 384.451 3.714 20 10 GHCDHM CN(C(=O)c1cccs1)c1ccccc1C(=O)NCc1c([O-])cccc1F ZINC001471975217 1073288530 /nfs/dbraw/zinc/28/85/30/1073288530.db2.gz UKVHQPOBUFURBJ-UHFFFAOYSA-N -1 3 384.432 3.799 20 10 GHCDHM CCNC(=O)COc1ccc(NCc2cc(C)cc(Br)c2[O-])cc1 ZINC001473942250 1074212861 /nfs/dbraw/zinc/21/28/61/1074212861.db2.gz UYCLEKXCLRQDTR-UHFFFAOYSA-N -1 3 393.281 3.590 20 10 GHCDHM NC(=O)C[C@@H](NCc1c([O-])cccc1Br)c1ccccc1Cl ZINC001474091758 1074261253 /nfs/dbraw/zinc/26/12/53/1074261253.db2.gz SRFPJLXFEJRGND-CQSZACIVSA-N -1 3 383.673 3.514 20 10 GHCDHM CCOC(=O)CC[C@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001474355847 1074360250 /nfs/dbraw/zinc/36/02/50/1074360250.db2.gz PFQKWWAIGFUMMI-GFCCVEGCSA-N -1 3 388.277 3.849 20 10 GHCDHM CN(Cc1cc(F)cc(F)c1[O-])C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001474669317 1074507004 /nfs/dbraw/zinc/50/70/04/1074507004.db2.gz ZTFFDDMJIYKKBQ-AWEZNQCLSA-N -1 3 392.229 3.849 20 10 GHCDHM C[C@@H]1C[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)CC[C@H]1NC(=O)[O-] ZINC000739185249 603398952 /nfs/dbraw/zinc/39/89/52/603398952.db2.gz OTSSNSPVSRURQE-BDJLRTHQSA-N -1 3 393.281 3.786 20 10 GHCDHM C[C@@H]1C[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)CC[C@H]1NC(=O)[O-] ZINC000739185249 603398955 /nfs/dbraw/zinc/39/89/55/603398955.db2.gz OTSSNSPVSRURQE-BDJLRTHQSA-N -1 3 393.281 3.786 20 10 GHCDHM Cc1cc(C)cc(N2C(=O)C(=Cc3cc(-c4nnn[n-]4)cs3)SC2=S)c1 ZINC000822196434 606336101 /nfs/dbraw/zinc/33/61/01/606336101.db2.gz JKUPXZNUAUDOGW-AUWJEWJLSA-N -1 3 399.526 3.951 20 10 GHCDHM Cc1cc(C)cc(N2C(=O)C(=Cc3cc(-c4nn[n-]n4)cs3)SC2=S)c1 ZINC000822196434 606336102 /nfs/dbraw/zinc/33/61/02/606336102.db2.gz JKUPXZNUAUDOGW-AUWJEWJLSA-N -1 3 399.526 3.951 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1[O-] ZINC000177087244 835825709 /nfs/dbraw/zinc/82/57/09/835825709.db2.gz KKCFABZFKLDNOR-CYBMUJFWSA-N -1 3 380.916 3.621 20 10 GHCDHM COC(=O)c1nc([C@@H]2CCCN2Cc2cc(F)cc(C(C)=O)c2[O-])sc1C ZINC000280534186 846435482 /nfs/dbraw/zinc/43/54/82/846435482.db2.gz SPARWOZZGHHWPU-HNNXBMFYSA-N -1 3 392.452 3.623 20 10 GHCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1C ZINC000055668591 854051552 /nfs/dbraw/zinc/05/15/52/854051552.db2.gz VCWFWORETYPLOY-UHFFFAOYSA-N -1 3 396.534 3.681 20 10 GHCDHM O=C1Cc2c(nc(Cl)cc2NCc2cc(Cl)c3cccnc3c2[O-])N1 ZINC001168528240 860840628 /nfs/dbraw/zinc/84/06/28/860840628.db2.gz QTEFEPRUWFSFPG-UHFFFAOYSA-N -1 3 375.215 3.749 20 10 GHCDHM CCN(Cc1ccc2ccccc2c1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000763669495 864276064 /nfs/dbraw/zinc/27/60/64/864276064.db2.gz IHTXCOQEDKNFFJ-UHFFFAOYSA-N -1 3 398.484 3.579 20 10 GHCDHM CCO[C@@H](C)c1noc(CN(CC)Cc2cc(Br)ccc2[O-])n1 ZINC000174422537 865789601 /nfs/dbraw/zinc/78/96/01/865789601.db2.gz YJTQKUYLYWEIMZ-NSHDSACASA-N -1 3 384.274 3.657 20 10 GHCDHM [O-]c1cc2c(cc1CN1CCn3c(nnc3C(F)(F)F)C1)oc1ccccc12 ZINC000739887615 865809199 /nfs/dbraw/zinc/80/91/99/865809199.db2.gz VNTKEQXCTDAOSD-UHFFFAOYSA-N -1 3 388.349 3.918 20 10 GHCDHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)c(C)cc1F ZINC000793403532 882178996 /nfs/dbraw/zinc/17/89/96/882178996.db2.gz BMVYYBQQQOEHBF-UHFFFAOYSA-N -1 3 395.452 3.859 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccc(Br)[nH]1 ZINC001193341413 871030432 /nfs/dbraw/zinc/03/04/32/871030432.db2.gz NXCTZBNIXGFIHE-UHFFFAOYSA-N -1 3 380.629 3.614 20 10 GHCDHM Cc1ccccc1C(=O)NC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775651975 872378843 /nfs/dbraw/zinc/37/88/43/872378843.db2.gz DGPUVGJDNINGKQ-UHFFFAOYSA-N -1 3 376.859 3.888 20 10 GHCDHM Cn1cccc1-c1cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])no1 ZINC001196006241 872804977 /nfs/dbraw/zinc/80/49/77/872804977.db2.gz RKKPRIABLVUQGH-UHFFFAOYSA-N -1 3 382.807 3.517 20 10 GHCDHM COC(=O)c1ccc([C@H](NCc2cc(F)cc(C(C)=O)c2[O-])C(F)(F)F)cc1 ZINC000775750660 873500051 /nfs/dbraw/zinc/50/00/51/873500051.db2.gz KKIUSISEHIYCDL-KRWDZBQOSA-N -1 3 399.340 3.914 20 10 GHCDHM CC(C)(C)C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC000769690384 874233915 /nfs/dbraw/zinc/23/39/15/874233915.db2.gz QFQRFVNBAYDBLQ-QGZVFWFLSA-N -1 3 390.505 3.671 20 10 GHCDHM COc1cccc(NC(=O)Nc2ccc([O-])c3c2C(=O)c2ccccc2C3=O)c1 ZINC001202278310 876099322 /nfs/dbraw/zinc/09/93/22/876099322.db2.gz RMMZISLKAKBWKY-UHFFFAOYSA-N -1 3 388.379 3.820 20 10 GHCDHM COc1ccc(N[C@@H](C)c2cccc(C(F)(F)F)c2[O-])cc1-n1cnnn1 ZINC000788729481 878280627 /nfs/dbraw/zinc/28/06/27/878280627.db2.gz KUXNJDQUWNPMSC-JTQLQIEISA-N -1 3 379.342 3.568 20 10 GHCDHM C[C@@H]1CN(Cc2cc(Br)cc(Br)c2[O-])CCC[C@@H]1O ZINC001203563863 912404566 /nfs/dbraw/zinc/40/45/66/912404566.db2.gz AHRANBYZCWPQOR-RNCFNFMXSA-N -1 3 393.119 3.510 20 10 GHCDHM [O-]c1ccc(Br)cc1CN1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000180542110 879001585 /nfs/dbraw/zinc/00/15/85/879001585.db2.gz ZBUXYYCTSWTYAT-GOEBONIOSA-N -1 3 398.322 3.541 20 10 GHCDHM CC[C@@H](Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1)c1ccc(F)cc1[O-] ZINC000285897944 912491281 /nfs/dbraw/zinc/49/12/81/912491281.db2.gz BFUUITRWWKIGRG-SCLBCKFNSA-N -1 3 383.427 3.886 20 10 GHCDHM O=C(Nc1nc(-c2ccc(Br)cn2)cs1)c1cccc(O)c1[O-] ZINC001183423743 912510446 /nfs/dbraw/zinc/51/04/46/912510446.db2.gz FRRIYZOTDGVQNN-UHFFFAOYSA-N -1 3 392.234 3.631 20 10 GHCDHM CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)c3cccc(O)c3[O-])cc2C1 ZINC000790702509 879937880 /nfs/dbraw/zinc/93/78/80/879937880.db2.gz ZNGYKMCLCFSMSG-UHFFFAOYSA-N -1 3 384.432 3.643 20 10 GHCDHM O=C(Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)c1cccc(O)c1[O-] ZINC000790707368 879940148 /nfs/dbraw/zinc/94/01/48/879940148.db2.gz NTMHDDOBIUYMOQ-UHFFFAOYSA-N -1 3 378.413 3.659 20 10 GHCDHM Cc1ccc(NC(=O)[C@H]2CCCN(Cc3c([O-])ccc(Cl)c3F)C2)nc1 ZINC000792162080 880929057 /nfs/dbraw/zinc/92/90/57/880929057.db2.gz BMNKAELSJGOKBF-ZDUSSCGKSA-N -1 3 377.847 3.739 20 10 GHCDHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccc(N2CCCC2)cc1 ZINC000760528931 883441848 /nfs/dbraw/zinc/44/18/48/883441848.db2.gz ZASMNAZYVDOXCF-UHFFFAOYSA-N -1 3 388.464 3.959 20 10 GHCDHM CN(C)[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-])c1ccccc1 ZINC000806288624 884567982 /nfs/dbraw/zinc/56/79/82/884567982.db2.gz RFJISDILIYUUKQ-INIZCTEOSA-N -1 3 382.291 3.801 20 10 GHCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCN(Cc2cccnc2)C1 ZINC000807836391 885800719 /nfs/dbraw/zinc/80/07/19/885800719.db2.gz VZWPVMWAQXOXTQ-AWEZNQCLSA-N -1 3 394.302 3.622 20 10 GHCDHM Cc1cc(CCNC(=O)c2c[n-]c3ccccc3c2=O)c(C)n1-c1ccccc1 ZINC000915191768 885991573 /nfs/dbraw/zinc/99/15/73/885991573.db2.gz OFXPCIYERUAHEO-UHFFFAOYSA-N -1 3 385.467 3.908 20 10 GHCDHM CCOC(=O)CC(C)(C)CC(=O)C([O-])=Cc1nc(-c2cccs2)oc1C ZINC000808093489 886012448 /nfs/dbraw/zinc/01/24/48/886012448.db2.gz PEOSBKGAWUDILH-UHFFFAOYSA-N -1 3 377.462 3.762 20 10 GHCDHM [O-]c1cccc(Br)c1CN1CCC(O)(c2c(F)cccc2F)CC1 ZINC000862332049 886295097 /nfs/dbraw/zinc/29/50/97/886295097.db2.gz CUGXXRCYRRKIBE-UHFFFAOYSA-N -1 3 398.247 3.917 20 10 GHCDHM CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000828007108 887517543 /nfs/dbraw/zinc/51/75/43/887517543.db2.gz JGLDMABTZSHKRA-NRFANRHFSA-N -1 3 392.496 3.501 20 10 GHCDHM Cc1sc(NC(=O)c2cccc(O)c2[O-])nc1-c1ccc2c(c1)CCC(=O)N2 ZINC000794743034 887978178 /nfs/dbraw/zinc/97/81/78/887978178.db2.gz MIBIFUDXWLRPIN-UHFFFAOYSA-N -1 3 395.440 3.667 20 10 GHCDHM CS(=O)(=O)c1ccc(NCc2cc(Cl)c3cccnc3c2[O-])cc1F ZINC001168522285 890354639 /nfs/dbraw/zinc/35/46/39/890354639.db2.gz DYHSEKZCOIMGFW-UHFFFAOYSA-N -1 3 380.828 3.749 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@H]1CCCCCC(=O)C1 ZINC000813488858 891689192 /nfs/dbraw/zinc/68/91/92/891689192.db2.gz HQDOYJQHVWNOPB-MAUKXSAKSA-N -1 3 392.927 3.666 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@@H]1CCCCCC(=O)C1 ZINC000813488857 891689542 /nfs/dbraw/zinc/68/95/42/891689542.db2.gz HQDOYJQHVWNOPB-CRAIPNDOSA-N -1 3 392.927 3.666 20 10 GHCDHM COc1ccc(OC)c([C@H]2CCCN2Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000774822036 913648531 /nfs/dbraw/zinc/64/85/31/913648531.db2.gz XRCUFQGEQNLNOA-MRXNPFEDSA-N -1 3 388.420 3.663 20 10 GHCDHM CCN(Cc1cc(Br)ccc1[O-])[C@@H](C)c1nc(C(=O)OC)co1 ZINC000878154602 894056199 /nfs/dbraw/zinc/05/61/99/894056199.db2.gz ZOCYRWSLGFOYAW-JTQLQIEISA-N -1 3 383.242 3.512 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)NC3CCCCC3)CC2)c1[O-] ZINC000748049790 894555034 /nfs/dbraw/zinc/55/50/34/894555034.db2.gz RHGGKDOUZSHSQU-UHFFFAOYSA-N -1 3 392.927 3.909 20 10 GHCDHM O=C(C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1)N1CCc2ccccc21 ZINC000816497271 894863690 /nfs/dbraw/zinc/86/36/90/894863690.db2.gz UJCREKYFZKWKJP-UHFFFAOYSA-N -1 3 388.870 3.986 20 10 GHCDHM [O-]c1cc(F)c(Cl)cc1CN[C@H](CO)c1ccc(Br)c(F)c1 ZINC000816616756 894977830 /nfs/dbraw/zinc/97/78/30/894977830.db2.gz FTYUQCVQQCYOPA-CQSZACIVSA-N -1 3 392.627 3.910 20 10 GHCDHM COc1c([O-])c(CNc2ccc(N3CCCC3=O)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000774913516 914015971 /nfs/dbraw/zinc/01/59/71/914015971.db2.gz DIIQWECOACLPIN-UHFFFAOYSA-N -1 3 391.811 3.701 20 10 GHCDHM CCCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H]1CCC[C@@H](C)C1 ZINC000818801489 896243531 /nfs/dbraw/zinc/24/35/31/896243531.db2.gz APUKRMUZFYIQQD-ZBFHGGJFSA-N -1 3 382.526 3.585 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2ccc(N3CCCC3=O)cn2)c1 ZINC000825375015 900131801 /nfs/dbraw/zinc/13/18/01/900131801.db2.gz IMIUUWUZADOGGE-UHFFFAOYSA-N -1 3 376.254 3.597 20 10 GHCDHM CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825428338 900137695 /nfs/dbraw/zinc/13/76/95/900137695.db2.gz JYWRURMUJYKNNZ-NSHDSACASA-N -1 3 375.835 3.948 20 10 GHCDHM CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825428338 900137697 /nfs/dbraw/zinc/13/76/97/900137697.db2.gz JYWRURMUJYKNNZ-NSHDSACASA-N -1 3 375.835 3.948 20 10 GHCDHM CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825428338 900137710 /nfs/dbraw/zinc/13/77/10/900137710.db2.gz JYWRURMUJYKNNZ-NSHDSACASA-N -1 3 375.835 3.948 20 10 GHCDHM CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825428338 900137718 /nfs/dbraw/zinc/13/77/18/900137718.db2.gz JYWRURMUJYKNNZ-NSHDSACASA-N -1 3 375.835 3.948 20 10 GHCDHM Cc1cc(Br)cc(C[NH2+]C[C@](C)(C(=O)[O-])c2ccccc2)c1[O-] ZINC000844934983 901556816 /nfs/dbraw/zinc/55/68/16/901556816.db2.gz CLTOICIWFIKVTQ-SFHVURJKSA-N -1 3 378.266 3.595 20 10 GHCDHM Cc1cccnc1O[C@@H]1CCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144307807 901699650 /nfs/dbraw/zinc/69/96/50/901699650.db2.gz CJUKAPVTKUWFIV-CYBMUJFWSA-N -1 3 381.245 3.651 20 10 GHCDHM [O-]c1cc(F)c(Br)cc1CN1CCN2CCc3ccccc3[C@@H]2C1 ZINC001144308266 901700848 /nfs/dbraw/zinc/70/08/48/901700848.db2.gz UQIFNDVZSRSANS-SFHVURJKSA-N -1 3 391.284 3.709 20 10 GHCDHM COc1ccc(C2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)nc1 ZINC000845995717 902611251 /nfs/dbraw/zinc/61/12/51/902611251.db2.gz FIKIYLCVUXFDGF-UHFFFAOYSA-N -1 3 377.828 3.737 20 10 GHCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CC[C@H](OCc2ccc(Cl)cc2Cl)C1 ZINC001148584878 904127551 /nfs/dbraw/zinc/12/75/51/904127551.db2.gz YMMPBWHQNSTFNK-ZDUSSCGKSA-N -1 3 398.242 3.542 20 10 GHCDHM O=C(Nc1ccc2c(cnn2Cc2cccc(F)c2)c1)c1cc(O)c([O-])c(O)c1 ZINC001148586060 904127788 /nfs/dbraw/zinc/12/77/88/904127788.db2.gz GVPFKVXCSIBNQO-UHFFFAOYSA-N -1 3 393.374 3.593 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC(NC(=O)Nc3ccccc3)CC2)c1[O-] ZINC000177264789 906081941 /nfs/dbraw/zinc/08/19/41/906081941.db2.gz XYXNEQPFICXKIB-UHFFFAOYSA-N -1 3 385.439 3.520 20 10 GHCDHM Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1Cc1cc(F)ccc1[O-] ZINC000779611660 907884083 /nfs/dbraw/zinc/88/40/83/907884083.db2.gz LJDGTWWAPYIUIF-FQEVSTJZSA-N -1 3 381.451 3.907 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CCC(Oc2cccc(Br)c2)CC1 ZINC000189565162 908350405 /nfs/dbraw/zinc/35/04/05/908350405.db2.gz KLSCLDDXBGZZEV-UHFFFAOYSA-N -1 3 392.249 3.544 20 10 GHCDHM COc1cc(F)c(CC(=O)NCc2cc(Cl)c3cccnc3c2[O-])c(F)c1 ZINC001181127198 910559494 /nfs/dbraw/zinc/55/94/94/910559494.db2.gz GBRRBROIIYDZKZ-UHFFFAOYSA-N -1 3 392.789 3.740 20 10 GHCDHM COc1cccc2[nH]cc(CC(=O)NCc3cc(Cl)c4cccnc4c3[O-])c21 ZINC001181988703 911111608 /nfs/dbraw/zinc/11/16/08/911111608.db2.gz KEIDZOYCUZDLAZ-UHFFFAOYSA-N -1 3 395.846 3.943 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])Nc1cccc2nsnc21 ZINC001190321457 917241213 /nfs/dbraw/zinc/24/12/13/917241213.db2.gz QQROJJYCQUVOBY-UHFFFAOYSA-N -1 3 385.836 3.920 20 10 GHCDHM Cn1cc(Br)cc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001190361761 917287585 /nfs/dbraw/zinc/28/75/85/917287585.db2.gz MELKADHKCGBLQR-UHFFFAOYSA-N -1 3 394.656 3.625 20 10 GHCDHM COc1c([O-])c(CN[C@H](c2cccc(F)c2)c2ccccn2)ccc1[N+](=O)[O-] ZINC000364757476 919952824 /nfs/dbraw/zinc/95/28/24/919952824.db2.gz HFJBRQBGURRHAA-GOSISDBHSA-N -1 3 383.379 3.722 20 10 GHCDHM CC(C)(C)OC(=O)NC[C@@]1(C)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000802655370 922311563 /nfs/dbraw/zinc/31/15/63/922311563.db2.gz VVZGQFOANBHSID-GOSISDBHSA-N -1 3 399.875 3.691 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000750039667 927399615 /nfs/dbraw/zinc/39/96/15/927399615.db2.gz CUAKOJMQMVMTCB-CQSZACIVSA-N -1 3 396.915 3.985 20 10 GHCDHM CCCc1ccc([C@H](C)N(CC(N)=O)Cc2cc(F)cc(C(C)=O)c2[O-])cc1 ZINC000750820073 927874186 /nfs/dbraw/zinc/87/41/86/927874186.db2.gz WRUVCSUIWPITQK-AWEZNQCLSA-N -1 3 386.467 3.735 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](OCc3c(C)noc3C)C2)c1[O-] ZINC000375170668 928002023 /nfs/dbraw/zinc/00/20/23/928002023.db2.gz ILGBSWFWUGGADB-MRXNPFEDSA-N -1 3 378.856 3.644 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cc3c(cc2SC)OCCO3)c1 ZINC000757599646 929739383 /nfs/dbraw/zinc/73/93/83/929739383.db2.gz YJZRZCKBFUMVEY-LLVKDONJSA-N -1 3 375.446 3.845 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN[C@H](C)c2nnc3n2CCCCC3)c1 ZINC000781626153 930912800 /nfs/dbraw/zinc/91/28/00/930912800.db2.gz FMDMOXWCKPCNHF-GFCCVEGCSA-N -1 3 379.302 3.632 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN(C)Cc2ccc([S@](C)=O)cc2)c1 ZINC000781911574 931024847 /nfs/dbraw/zinc/02/48/47/931024847.db2.gz NWVVURGOZIEFTC-QFIPXVFZSA-N -1 3 382.323 3.833 20 10 GHCDHM CC[C@@H](N[C@H](C(N)=O)c1cccc(Br)c1)c1ccc(F)cc1[O-] ZINC000796973782 932131784 /nfs/dbraw/zinc/13/17/84/932131784.db2.gz AWVSBRLMLFHBRV-ZBFHGGJFSA-N -1 3 381.245 3.561 20 10 GHCDHM COc1cc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)ccc1O ZINC000797820385 932416972 /nfs/dbraw/zinc/41/69/72/932416972.db2.gz VHXGMSCHJMGUAP-UHFFFAOYSA-N -1 3 385.441 3.781 20 10 GHCDHM CCN(c1nnc(-c2sc3ncccc3c2[O-])n1C[C@H]1CCOC1)C(C)C ZINC001123031108 935061549 /nfs/dbraw/zinc/06/15/49/935061549.db2.gz QFIHAUWIFMJLSJ-CYBMUJFWSA-N -1 3 387.509 3.532 20 10 GHCDHM O=C([O-])[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001574621145 962249803 /nfs/dbraw/zinc/24/98/03/962249803.db2.gz LTHCLBCOKUMRNH-LJQANCHMSA-N -1 3 387.411 3.640 20 10 GHCDHM COc1ccc(O)c([C@H](C)N[C@H](C(=O)[O-])c2ccccc2Br)c1 ZINC001599598225 993776595 /nfs/dbraw/zinc/77/65/95/993776595.db2.gz IRBZSKMSICEKHE-QFYYESIMSA-N -1 3 380.238 3.640 20 10 GHCDHM C[C@@H]([NH2+]CCC1=CCN(C(=O)OC(C)(C)C)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593262826 994557209 /nfs/dbraw/zinc/55/72/09/994557209.db2.gz XFSBEXYQIWAYRT-CQSZACIVSA-N -1 3 390.480 3.698 20 10 GHCDHM C[C@@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593274477 994625501 /nfs/dbraw/zinc/62/55/01/994625501.db2.gz LPBCVTDEARTQBS-GFCCVEGCSA-N -1 3 383.366 3.925 20 10 GHCDHM COc1cc(Cl)cc(C[NH2+][C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c1[O-] ZINC001599420992 997594249 /nfs/dbraw/zinc/59/42/49/997594249.db2.gz VEZBHOWPZGUVQX-CQSZACIVSA-N -1 3 389.757 3.989 20 10 GHCDHM COc1cc(O[C@H]2CCOC(C)(C)C2)c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O ZINC001227391870 1032400584 /nfs/dbraw/zinc/40/05/84/1032400584.db2.gz BVBFIXVBCCKFPR-ZDUSSCGKSA-N -1 3 396.439 3.821 20 10 GHCDHM [O-]c1cccc(Cl)c1CN1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@@H]21 ZINC001140344456 1021458293 /nfs/dbraw/zinc/45/82/93/1021458293.db2.gz KHSZIFPKPAJQGB-LKUPVBHCSA-N -1 3 388.895 3.637 20 10 GHCDHM O=C(Nc1ccccc1)C1=NO[C@]2(C1)CCCN(Cc1c([O-])cccc1Cl)C2 ZINC001140345555 1021459404 /nfs/dbraw/zinc/45/94/04/1021459404.db2.gz WGCDWBLXXPBYID-NRFANRHFSA-N -1 3 399.878 3.795 20 10 GHCDHM CCOC[C@H]1CN(Cc2ccc(Cl)cc2[O-])Cc2cnn(CC3CC3)c21 ZINC001140465737 1021761236 /nfs/dbraw/zinc/76/12/36/1021761236.db2.gz SKQMNNXJQZCSKE-QGZVFWFLSA-N -1 3 375.900 3.788 20 10 GHCDHM O=S1(=O)CCN(Cc2cc3oc4ccccc4c3cc2[O-])[C@H]2CCCC[C@H]21 ZINC000754011623 1022421716 /nfs/dbraw/zinc/42/17/16/1022421716.db2.gz KPHCPRJRERQNRV-LAUBAEHRSA-N -1 3 385.485 3.833 20 10 GHCDHM CN(CC(=O)Nc1cccc(Cl)c1)Cc1ccc(Br)cc1[O-] ZINC001204880791 1033142076 /nfs/dbraw/zinc/14/20/76/1033142076.db2.gz GJAVTKORFPYAAW-UHFFFAOYSA-N -1 3 383.673 3.879 20 10 GHCDHM C[C@@H](NCc1cccc(C(=O)NCc2ccco2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756424419 1023641839 /nfs/dbraw/zinc/64/18/39/1023641839.db2.gz UNYLNBFZYHZHII-CQSZACIVSA-N -1 3 395.415 3.674 20 10 GHCDHM COc1ccc(Br)cc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756686103 1023773636 /nfs/dbraw/zinc/77/36/36/1023773636.db2.gz IBXXNLFLLJMYIU-SNVBAGLBSA-N -1 3 381.226 3.922 20 10 GHCDHM [O-]c1c(F)cccc1CN1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001138132522 1024191703 /nfs/dbraw/zinc/19/17/03/1024191703.db2.gz ARSGXGRDLQFBMM-UHFFFAOYSA-N -1 3 393.462 3.828 20 10 GHCDHM COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC001141374946 1024767674 /nfs/dbraw/zinc/76/76/74/1024767674.db2.gz SOYUQCMBNWWVSH-CWSCBRNRSA-N -1 3 388.689 3.582 20 10 GHCDHM Cc1c[nH]c(CN2CCc3c(Cl)c([O-])c(O)cc3[C@@H](c3ccc(O)cc3)C2)n1 ZINC001138938341 1025615656 /nfs/dbraw/zinc/61/56/56/1025615656.db2.gz INPYCUKKUKAWDW-QGZVFWFLSA-N -1 3 399.878 3.679 20 10 GHCDHM COC[C@H](C)N(Cc1cccc(OC)c1)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139132031 1025944906 /nfs/dbraw/zinc/94/49/06/1025944906.db2.gz SPXMSOJSHHWMAF-INIZCTEOSA-N -1 3 397.471 3.853 20 10 GHCDHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(Cc1c(F)ccc(F)c1[O-])C2 ZINC001139681595 1026535477 /nfs/dbraw/zinc/53/54/77/1026535477.db2.gz UNCFYCORAGQDRT-FQEVSTJZSA-N -1 3 382.451 3.893 20 10 GHCDHM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2[O-])C[C@@H]1C(F)(F)F ZINC001140056228 1026836097 /nfs/dbraw/zinc/83/60/97/1026836097.db2.gz NGMZIEBZUCHSLL-CQSZACIVSA-N -1 3 378.366 3.515 20 10 GHCDHM [O-]c1cccc(Br)c1CN1CC[C@@H](N2CCCCC2)C(F)(F)C1 ZINC001140102235 1026882182 /nfs/dbraw/zinc/88/21/82/1026882182.db2.gz MRLUVNDFONJFLQ-MRXNPFEDSA-N -1 3 389.284 3.850 20 10 GHCDHM CCN(C)c1ncnc2c1CCN(Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC001203574986 1027443074 /nfs/dbraw/zinc/44/30/74/1027443074.db2.gz ABWOPQWCGQXLIB-UHFFFAOYSA-N -1 3 381.307 3.546 20 10 GHCDHM CC(C)(C)OC(=O)N1CCCC12CN(Cc1cc(Br)ccc1[O-])C2 ZINC001203635677 1027493678 /nfs/dbraw/zinc/49/36/78/1027493678.db2.gz COZWXIXBBALCET-UHFFFAOYSA-N -1 3 397.313 3.740 20 10 GHCDHM [O-]c1ccc(Cl)cc1CN1CCN(Cc2ccncc2)c2ncccc2C1 ZINC001203659045 1027513429 /nfs/dbraw/zinc/51/34/29/1027513429.db2.gz QMQIXCZRXQRMTB-UHFFFAOYSA-N -1 3 380.879 3.858 20 10 GHCDHM CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1Cc1cc(F)c(F)cc1[O-] ZINC001142524886 1029029853 /nfs/dbraw/zinc/02/98/53/1029029853.db2.gz OONCCZYBDHONCK-IYOUNJFTSA-N -1 3 380.479 3.966 20 10 GHCDHM [O-]c1c(O)cccc1-c1nc(-c2ccc(F)cc2I)no1 ZINC001215146065 1029058562 /nfs/dbraw/zinc/05/85/62/1029058562.db2.gz ZRIFNMBKFBJLIH-UHFFFAOYSA-N -1 3 398.131 3.559 20 10 GHCDHM COc1cc(CN[C@H](C)c2cc(F)cc(F)c2[O-])c(Br)cc1O ZINC000842930805 1029694013 /nfs/dbraw/zinc/69/40/13/1029694013.db2.gz KYSFTSZGBYCAMQ-MRVPVSSYSA-N -1 3 388.208 3.998 20 10 GHCDHM Nc1nc2cccc(C(=O)NCc3cc(Cl)c4cccnc4c3[O-])c2s1 ZINC001152185569 1031137489 /nfs/dbraw/zinc/13/74/89/1031137489.db2.gz FKYONTCGLPTXIE-UHFFFAOYSA-N -1 3 384.848 3.716 20 10 GHCDHM Cc1cn2c(n1)[C@@H](Oc1cc(C)cc3c1C(=O)c1c([O-])cccc1C3=O)CCC2 ZINC001229542831 1033550039 /nfs/dbraw/zinc/55/00/39/1033550039.db2.gz QJPPSYSVIZFLPE-KRWDZBQOSA-N -1 3 388.423 3.895 20 10 GHCDHM CCOC(=O)c1cc(Cl)nnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001157724693 1033740510 /nfs/dbraw/zinc/74/05/10/1033740510.db2.gz SSXHLTHBLQSRFQ-UHFFFAOYSA-N -1 3 393.230 3.826 20 10 GHCDHM C[C@H](Cc1cc(Br)ccc1F)NC(=O)NCc1c([O-])cccc1F ZINC001230552960 1034117806 /nfs/dbraw/zinc/11/78/06/1034117806.db2.gz FMZOPXOPWLDTAW-SNVBAGLBSA-N -1 3 399.235 3.863 20 10 GHCDHM O=C(NC[C@@H]1CCCCN1Cc1cc(F)cc(F)c1[O-])Nc1ccccc1 ZINC001461885566 1069836590 /nfs/dbraw/zinc/83/65/90/1069836590.db2.gz FUUTVOBMDAWQGW-KRWDZBQOSA-N -1 3 375.419 3.847 20 10 GHCDHM CCOc1ccc(C(=O)C2CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)cc1 ZINC001231452067 1034596217 /nfs/dbraw/zinc/59/62/17/1034596217.db2.gz COVHKNWNMKZFIJ-UHFFFAOYSA-N -1 3 383.444 3.584 20 10 GHCDHM O=C([O-])c1ccc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(O)c1 ZINC001231454696 1034598829 /nfs/dbraw/zinc/59/88/29/1034598829.db2.gz IJXQIZYSYWMSNB-UHFFFAOYSA-N -1 3 381.259 3.719 20 10 GHCDHM CCOc1ccc(C(=O)C2CCN(Cc3cc(C(=O)[O-])ccc3O)CC2)cc1 ZINC001231564778 1034714594 /nfs/dbraw/zinc/71/45/94/1034714594.db2.gz XVPAUUWCKWLMET-UHFFFAOYSA-N -1 3 383.444 3.584 20 10 GHCDHM CCCCN1CC[C@@]2(CCCN2Cc2cc(C)cc(Br)c2[O-])C1=O ZINC001277541431 1034761672 /nfs/dbraw/zinc/76/16/72/1034761672.db2.gz XERRDJNEBGBBQB-IBGZPJMESA-N -1 3 395.341 3.830 20 10 GHCDHM Cc1nc(Cl)cc(C(F)(F)NCc2cc(Br)ccc2[O-])n1 ZINC001160012611 1034828352 /nfs/dbraw/zinc/82/83/52/1034828352.db2.gz QSVUXJKZBPWMGL-UHFFFAOYSA-N -1 3 378.604 3.746 20 10 GHCDHM Cc1cc([O-])c(CN2Cc3cncn3C[C@@H](COc3cccnc3)C2)cc1Cl ZINC001231867664 1034954202 /nfs/dbraw/zinc/95/42/02/1034954202.db2.gz PJJDICGYSOCIFC-INIZCTEOSA-N -1 3 398.894 3.657 20 10 GHCDHM Cc1cc([O-])c(CN2Cc3cncn3C[C@H](COc3ccccn3)C2)cc1Cl ZINC001231869376 1034956585 /nfs/dbraw/zinc/95/65/85/1034956585.db2.gz NEYLXTSEASFIER-MRXNPFEDSA-N -1 3 398.894 3.657 20 10 GHCDHM COC(=O)c1ccc(CN2CCN(Cc3cccc(Cl)c3[O-])[C@H](C)C2)cc1 ZINC001231911482 1034985498 /nfs/dbraw/zinc/98/54/98/1034985498.db2.gz HAMPLSZHCLARAM-OAHLLOKOSA-N -1 3 388.895 3.539 20 10 GHCDHM COc1cc([O-])c(CN2Cc3ccccc3C2)cc1I ZINC001248458564 1035881871 /nfs/dbraw/zinc/88/18/71/1035881871.db2.gz JDQYBNWGPLDGKP-UHFFFAOYSA-N -1 3 381.213 3.521 20 10 GHCDHM COc1ccc(CN2CC[C@H](C)C[C@H]2C)c([O-])c1I ZINC001248489990 1035910795 /nfs/dbraw/zinc/91/07/95/1035910795.db2.gz SSTYTAVLLMHRBM-WDEREUQCSA-N -1 3 375.250 3.626 20 10 GHCDHM CS(=O)(=O)c1ccc(C2CCN(Cc3cc(Cl)c([O-])cc3O)CC2)cc1 ZINC001232264038 1037984628 /nfs/dbraw/zinc/98/46/28/1037984628.db2.gz GDDPLLPLKQQBBY-UHFFFAOYSA-N -1 3 395.908 3.534 20 10 GHCDHM [O-]c1cc(I)ccc1CN1CCC[C@@H]1c1ccccn1 ZINC001232977717 1038747122 /nfs/dbraw/zinc/74/71/22/1038747122.db2.gz JTGNATYOQYYVIA-OAHLLOKOSA-N -1 3 380.229 3.729 20 10 GHCDHM [O-]c1cc(I)ccc1CN1CCC[C@@H]1c1ccncc1 ZINC001232979460 1038747881 /nfs/dbraw/zinc/74/78/81/1038747881.db2.gz YTKSXGCCMADPCH-OAHLLOKOSA-N -1 3 380.229 3.729 20 10 GHCDHM [O-]c1cc(I)ccc1CN1CCC[C@H]1c1nccs1 ZINC001232979645 1038748020 /nfs/dbraw/zinc/74/80/20/1038748020.db2.gz HUJPMHUDHOKYRW-LBPRGKRZSA-N -1 3 386.258 3.790 20 10 GHCDHM CC1(C(=O)N2CCCC2)CCN(Cc2c([O-])cc(Br)cc2F)CC1 ZINC001233031417 1038784494 /nfs/dbraw/zinc/78/44/94/1038784494.db2.gz DCSVZKAGTFVDBN-UHFFFAOYSA-N -1 3 399.304 3.518 20 10 GHCDHM COc1cc([O-])c(CN2CCN(c3cccc(F)c3)CC2)cc1Br ZINC001233141510 1038920576 /nfs/dbraw/zinc/92/05/76/1038920576.db2.gz IZCJNZHFZXJMAM-UHFFFAOYSA-N -1 3 395.272 3.625 20 10 GHCDHM Cc1ccc(N2C[C@@]3(CCN(Cc4c([O-])ccc(F)c4F)C3)CC2=O)s1 ZINC001233333703 1039135647 /nfs/dbraw/zinc/13/56/47/1039135647.db2.gz FIKXJQZHNHKJJU-IBGZPJMESA-N -1 3 378.444 3.669 20 10 GHCDHM O=C1C[C@@H]2[C@H](CCN2Cc2cccc(C(F)(F)F)c2[O-])N1c1ccsc1 ZINC001233417509 1039278201 /nfs/dbraw/zinc/27/82/01/1039278201.db2.gz WQENZSUXPAPRQL-LSDHHAIUSA-N -1 3 382.407 3.852 20 10 GHCDHM COc1ccc(O[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3[O-])C2)nc1 ZINC001233419944 1039282338 /nfs/dbraw/zinc/28/23/38/1039282338.db2.gz SHLDYJQKHVREPY-OAHLLOKOSA-N -1 3 382.382 3.858 20 10 GHCDHM COc1c(O[C@@H]2CCOC(C)(C)C2)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234132490 1039872133 /nfs/dbraw/zinc/87/21/33/1039872133.db2.gz PYTRHEFGMMEPIC-CYBMUJFWSA-N -1 3 396.439 3.821 20 10 GHCDHM [O-]c1ccc(-c2nnc(Cc3cccc(Cl)c3)o2)cc1CN1CCOCC1 ZINC001254496029 1040283183 /nfs/dbraw/zinc/28/31/83/1040283183.db2.gz OVGDDJNAQZPIHP-UHFFFAOYSA-N -1 3 385.851 3.519 20 10 GHCDHM Cc1cnccc1O[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001235074462 1040563208 /nfs/dbraw/zinc/56/32/08/1040563208.db2.gz HXKKDPHDZJVFIO-AWEZNQCLSA-N -1 3 381.245 3.651 20 10 GHCDHM CCc1noc([C@H]2CCCN(Cc3cc(F)cc(Br)c3[O-])C2)n1 ZINC001235303613 1040779575 /nfs/dbraw/zinc/77/95/75/1040779575.db2.gz PJJCRYYGKORNBH-JTQLQIEISA-N -1 3 384.249 3.619 20 10 GHCDHM CCOC(=O)C[C@H]1CCN(Cc2cc(F)cc(Br)c2[O-])C[C@H]1C ZINC001235307106 1040781298 /nfs/dbraw/zinc/78/12/98/1040781298.db2.gz KWGYTFLZLPMWLN-VXGBXAGGSA-N -1 3 388.277 3.705 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c1 ZINC001236663238 1041810823 /nfs/dbraw/zinc/81/08/23/1041810823.db2.gz KMNYLZCJUDDHCN-HZMBPMFUSA-N -1 3 382.220 3.598 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CC(CCNC(=O)OC(C)(C)C)C2)c1 ZINC001236668434 1041814646 /nfs/dbraw/zinc/81/46/46/1041814646.db2.gz DNEFUIPMNCIMPM-UHFFFAOYSA-N -1 3 399.329 3.810 20 10 GHCDHM [O-]c1cc(CN2CCN(c3ccc(OCc4cccnc4)cc3)CC2)ccc1F ZINC001236713139 1041849210 /nfs/dbraw/zinc/84/92/10/1041849210.db2.gz MUMRKATWWBGSEI-UHFFFAOYSA-N -1 3 393.462 3.828 20 10 GHCDHM CN(CC1CN(Cc2c([O-])ccc(Cl)c2Cl)C1)C(=O)OC(C)(C)C ZINC001237077873 1042023881 /nfs/dbraw/zinc/02/38/81/1042023881.db2.gz LLDZTMOKUXCHEB-UHFFFAOYSA-N -1 3 375.296 3.998 20 10 GHCDHM O=C1NC2(C[C@H]1c1ccccc1)CCN(Cc1c([O-])ccc(F)c1Cl)CC2 ZINC001237123325 1042050856 /nfs/dbraw/zinc/05/08/56/1042050856.db2.gz CMZWOALUTBFXLB-HNNXBMFYSA-N -1 3 388.870 3.823 20 10 GHCDHM CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1CN(Cc1c([O-])ccc(F)c1Cl)C2 ZINC001237127774 1042055078 /nfs/dbraw/zinc/05/50/78/1042055078.db2.gz FCJJYOZGEPIMRB-DPIQGUFMSA-N -1 3 384.879 3.920 20 10 GHCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001237620992 1042287091 /nfs/dbraw/zinc/28/70/91/1042287091.db2.gz ZRRZJTSFZQQJFF-LIRRHRJNSA-N -1 3 396.821 3.531 20 10 GHCDHM Cc1cc([O-])c(CN2CC(C)(CNC(=O)OC(C)(C)C)C2)cc1Br ZINC001237685034 1042326161 /nfs/dbraw/zinc/32/61/61/1042326161.db2.gz MVDSBHRIARAYBO-UHFFFAOYSA-N -1 3 399.329 3.810 20 10 GHCDHM [O-]c1c(Cl)cc(F)cc1CN1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001237798846 1042375620 /nfs/dbraw/zinc/37/56/20/1042375620.db2.gz BTVPKZTXZPIIGC-OXJNMPFZSA-N -1 3 392.858 3.782 20 10 GHCDHM Cc1cccc(CS(=O)(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001259751419 1045286705 /nfs/dbraw/zinc/28/67/05/1045286705.db2.gz OIYPEPCLPQIYGB-UHFFFAOYSA-N -1 3 376.865 3.522 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC(c2ccon2)CC1 ZINC001263115433 1046563195 /nfs/dbraw/zinc/56/31/95/1046563195.db2.gz RYPJFQXEZGINNS-UHFFFAOYSA-N -1 3 396.476 3.652 20 10 GHCDHM CC(C)(C)OC(=O)NCCc1ccccc1C(=O)NCc1c([O-])cccc1F ZINC001303875369 1047525972 /nfs/dbraw/zinc/52/59/72/1047525972.db2.gz GLCNXXJACXTGHW-UHFFFAOYSA-N -1 3 388.439 3.529 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2cccc([C@@H]3CNC(=O)C3)c2)c1 ZINC001308339119 1049952817 /nfs/dbraw/zinc/95/28/17/1049952817.db2.gz VWONHTDTJCPYHX-ZDUSSCGKSA-N -1 3 375.266 3.679 20 10 GHCDHM CCOc1cccc(CN(CCO)Cc2c([O-])cccc2Br)c1 ZINC001308819420 1050107203 /nfs/dbraw/zinc/10/72/03/1050107203.db2.gz GLIDVBOLOGIZHU-UHFFFAOYSA-N -1 3 380.282 3.548 20 10 GHCDHM O=S(=O)([N-]CCCSc1nccs1)c1csnc1-c1ccccc1 ZINC001309159835 1050414185 /nfs/dbraw/zinc/41/41/85/1050414185.db2.gz MQNJIOXVNUNCPO-UHFFFAOYSA-N -1 3 397.572 3.727 20 10 GHCDHM CC[C@H]1CCCN1c1nnc(-c2sc3ncccc3c2[O-])n1C[C@H]1CCOC1 ZINC001345194209 1054934032 /nfs/dbraw/zinc/93/40/32/1054934032.db2.gz PFHLGMZGDHCWNA-KGLIPLIRSA-N -1 3 399.520 3.676 20 10 GHCDHM CN(C[C@H]1CCCOC1)c1nnc(-c2sc3ncccc3c2[O-])n1CC1CC1 ZINC001348259459 1062969690 /nfs/dbraw/zinc/96/96/90/1062969690.db2.gz CKICOUSXTKKFLJ-CQSZACIVSA-N -1 3 399.520 3.533 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC001468789355 1067883315 /nfs/dbraw/zinc/88/33/15/1067883315.db2.gz DCTROIZITQWYST-CYBMUJFWSA-N -1 3 397.372 3.628 20 10 GHCDHM COC(=O)CN(Cc1cccc2c1OC(F)(F)O2)Cc1cc(Cl)ccc1[O-] ZINC001473234745 1073878234 /nfs/dbraw/zinc/87/82/34/1073878234.db2.gz XHNAITGUYRUBQC-UHFFFAOYSA-N -1 3 399.777 3.542 20 10 GHCDHM C[C@H](NCc1c([O-])cccc1Br)c1noc(Cc2ccccc2)n1 ZINC001474041102 1074245649 /nfs/dbraw/zinc/24/56/49/1074245649.db2.gz KNPRIOHEZASNME-LBPRGKRZSA-N -1 3 388.265 3.979 20 10 GHCDHM COc1cccc(OCCN2CCN(Cc3c([O-])cc(C)cc3Cl)CC2)c1 ZINC001474315004 1074338288 /nfs/dbraw/zinc/33/82/88/1074338288.db2.gz ZGLCVTZOZVQYQN-UHFFFAOYSA-N -1 3 390.911 3.559 20 10 GHCDHM Cc1nc(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2)c(-c2ccccc2)s1 ZINC001474791355 1074565119 /nfs/dbraw/zinc/56/51/19/1074565119.db2.gz DAFJLDLELCHOBF-UHFFFAOYSA-N -1 3 387.530 3.663 20 10 GHCDHM Cc1cc(C(=O)N2C3CCCC2CCC3)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234662 599247469 /nfs/dbraw/zinc/24/74/69/599247469.db2.gz PAHIOPFYDGADIR-UHFFFAOYSA-N -1 3 390.491 3.821 20 10 GHCDHM Cc1cc(C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234850 598609925 /nfs/dbraw/zinc/60/99/25/598609925.db2.gz RSORMJWAZJWBDG-HNNXBMFYSA-N -1 3 386.459 3.765 20 10 GHCDHM Cc1cc(C(=O)NCc2ccc(C)cc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737340797 598610900 /nfs/dbraw/zinc/61/09/00/598610900.db2.gz CWBVHPWGVIASCJ-UHFFFAOYSA-N -1 3 386.459 3.513 20 10 GHCDHM Cc1ccc(F)cc1C=C1SC(=S)N(c2ccccc2-c2nnn[n-]2)C1=O ZINC000826289699 609302653 /nfs/dbraw/zinc/30/26/53/609302653.db2.gz JSIWRHNKLZIGSP-OQLLNIDSSA-N -1 3 397.460 3.720 20 10 GHCDHM Cc1ccc(F)cc1C=C1SC(=S)N(c2ccccc2-c2nn[n-]n2)C1=O ZINC000826289699 609302655 /nfs/dbraw/zinc/30/26/55/609302655.db2.gz JSIWRHNKLZIGSP-OQLLNIDSSA-N -1 3 397.460 3.720 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cc(C(=O)N3CCCC3)ccc2OC)c1 ZINC000273452053 847342395 /nfs/dbraw/zinc/34/23/95/847342395.db2.gz OUWDJULPMSZJAU-AWEZNQCLSA-N -1 3 398.459 3.597 20 10 GHCDHM COCCOC(=O)Nc1cccc(N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])c1 ZINC000273511744 847359552 /nfs/dbraw/zinc/35/95/52/847359552.db2.gz RWEGUKQXDOFFQX-ZDUSSCGKSA-N -1 3 388.420 3.547 20 10 GHCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000055639194 854043510 /nfs/dbraw/zinc/04/35/10/854043510.db2.gz PTDYCPMIZHPBES-UHFFFAOYSA-N -1 3 396.534 3.547 20 10 GHCDHM Cc1cc(C(=O)CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c(C)n1-c1ccc(C)cc1 ZINC000923528534 859396557 /nfs/dbraw/zinc/39/65/57/859396557.db2.gz FAMCKWMXXYDXEJ-LEWJYISDSA-N -1 3 380.488 3.628 20 10 GHCDHM COC(=O)c1cccc2cnc(NCc3cc(Cl)c4cccnc4c3[O-])nc21 ZINC001168528684 860920149 /nfs/dbraw/zinc/92/01/49/860920149.db2.gz ZCRNKFKEJZSHEC-UHFFFAOYSA-N -1 3 394.818 3.936 20 10 GHCDHM COC(=O)CN(Cc1csc(-c2ccco2)n1)Cc1cc(Cl)ccc1[O-] ZINC000114721543 881902873 /nfs/dbraw/zinc/90/28/73/881902873.db2.gz QBDFIJIJJLKPFF-UHFFFAOYSA-N -1 3 392.864 3.937 20 10 GHCDHM O=C1NCCN(Cc2c3c(ccc2[O-])oc2c3CCCC2)[C@@H]1c1cccs1 ZINC000743383425 868137801 /nfs/dbraw/zinc/13/78/01/868137801.db2.gz PQLYMPCFFTXSDH-HXUWFJFHSA-N -1 3 382.485 3.752 20 10 GHCDHM CC(C)(C)OC(=O)N[C@@H]1CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000768351241 873251203 /nfs/dbraw/zinc/25/12/03/873251203.db2.gz IZJOUAQWIBIJRK-CQSZACIVSA-N -1 3 385.302 3.644 20 10 GHCDHM COc1ccc(F)cc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000768915803 873684936 /nfs/dbraw/zinc/68/49/36/873684936.db2.gz NBPIEDWHSNLNPU-MRXNPFEDSA-N -1 3 392.858 3.588 20 10 GHCDHM O=C(CC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1)NC1CCCC1 ZINC000769110439 873815441 /nfs/dbraw/zinc/81/54/41/873815441.db2.gz FYUOKWIJVKRYMO-UHFFFAOYSA-N -1 3 395.887 3.615 20 10 GHCDHM C[C@@H]1CN(Cc2cccc(Br)c2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000769422385 874039692 /nfs/dbraw/zinc/03/96/92/874039692.db2.gz BLTXTBIJQSBWLS-IUODEOHRSA-N -1 3 399.329 3.890 20 10 GHCDHM Cc1cccc([C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C(C)(C)C)c1 ZINC000769951705 874361116 /nfs/dbraw/zinc/36/11/16/874361116.db2.gz CEGNRPLXWNETKH-GOSISDBHSA-N -1 3 390.505 3.589 20 10 GHCDHM CCc1nc(C)c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)s1 ZINC000771058787 875013803 /nfs/dbraw/zinc/01/38/03/875013803.db2.gz NYVBPNCBUUJAQE-HNNXBMFYSA-N -1 3 393.940 3.767 20 10 GHCDHM CC(=O)c1cccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000771059048 875015686 /nfs/dbraw/zinc/01/56/86/875015686.db2.gz PFBARSSBMNVVER-LJQANCHMSA-N -1 3 386.879 3.643 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1nc(Cl)ccc1F ZINC000760178954 883067272 /nfs/dbraw/zinc/06/72/72/883067272.db2.gz YRSYRMJCOMMMBH-CYBMUJFWSA-N -1 3 398.265 3.628 20 10 GHCDHM COc1c([O-])c(CNCc2ccccc2C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001183135927 912322606 /nfs/dbraw/zinc/32/26/06/912322606.db2.gz GSPGXNYEPYUVPG-UHFFFAOYSA-N -1 3 388.420 3.554 20 10 GHCDHM C[C@H](NCc1ccc(S(C)(=O)=O)s1)c1cccc(C(F)(F)F)c1[O-] ZINC000788761389 878298330 /nfs/dbraw/zinc/29/83/30/878298330.db2.gz ZGSPLZPPSJVHNB-VIFPVBQESA-N -1 3 379.425 3.727 20 10 GHCDHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1 ZINC000111995248 879607892 /nfs/dbraw/zinc/60/78/92/879607892.db2.gz VKISEGKADJKULO-UHFFFAOYSA-N -1 3 390.505 3.503 20 10 GHCDHM COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000790768801 879964868 /nfs/dbraw/zinc/96/48/68/879964868.db2.gz OTOBDQZETJNUGU-CYBMUJFWSA-N -1 3 375.852 3.855 20 10 GHCDHM O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc([O-])c2ccccc2c1 ZINC000792191276 880978932 /nfs/dbraw/zinc/97/89/32/880978932.db2.gz WPMVVJAWLKWYEQ-UHFFFAOYSA-N -1 3 390.483 3.684 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC[C@]3(CC(=O)c4ccccc4O3)C2)c1[O-] ZINC000859580593 883912663 /nfs/dbraw/zinc/91/26/63/883912663.db2.gz SVVFWJBBJZCJAR-QFIPXVFZSA-N -1 3 383.419 3.734 20 10 GHCDHM CCCCOc1ccc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c([O-])c1 ZINC001183962787 912927041 /nfs/dbraw/zinc/92/70/41/912927041.db2.gz GAZSYTVRTLEIFX-MRXNPFEDSA-N -1 3 384.476 3.588 20 10 GHCDHM [O-]c1cc(Br)ccc1CN1CCC(O)(c2c(F)cccc2F)CC1 ZINC000825562525 886712115 /nfs/dbraw/zinc/71/21/15/886712115.db2.gz MQQXPTPEYSEIFM-UHFFFAOYSA-N -1 3 398.247 3.917 20 10 GHCDHM C[C@H](N[C@H](C(N)=O)c1cccc(Br)c1)c1cc(Cl)ccc1[O-] ZINC000794827716 888242766 /nfs/dbraw/zinc/24/27/66/888242766.db2.gz HQMOAMNUSNJLDT-VFZGTOFNSA-N -1 3 383.673 3.685 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCCC[C@H]2COC(=O)NC2CC2)c1 ZINC000811510482 889702287 /nfs/dbraw/zinc/70/22/87/889702287.db2.gz HZVYNKJSQZOKRU-HNNXBMFYSA-N -1 3 397.313 3.706 20 10 GHCDHM O=C(NC1CCN(Cc2cccc(Br)c2[O-])CC1)c1ccccc1 ZINC000123072803 890314164 /nfs/dbraw/zinc/31/41/64/890314164.db2.gz UORUGNMRZCICOP-UHFFFAOYSA-N -1 3 389.293 3.549 20 10 GHCDHM C[C@H](Nc1cnn(CC(=O)NC2CCCC2)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000815609762 894042744 /nfs/dbraw/zinc/04/27/44/894042744.db2.gz RYYPWSBXCVJVNF-LBPRGKRZSA-N -1 3 396.413 3.839 20 10 GHCDHM CC[C@H](CS(=O)(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)OC ZINC000817348192 895512477 /nfs/dbraw/zinc/51/24/77/895512477.db2.gz HXWFHJUFWLGWJC-CYBMUJFWSA-N -1 3 392.502 3.836 20 10 GHCDHM Cc1ccc(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)c([O-])c1O ZINC000774919970 914055008 /nfs/dbraw/zinc/05/50/08/914055008.db2.gz OQJDOSRSUSUCHX-UHFFFAOYSA-N -1 3 379.800 3.970 20 10 GHCDHM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000092585599 901500413 /nfs/dbraw/zinc/50/04/13/901500413.db2.gz KBTYVGZQAHNCNW-JTQLQIEISA-N -1 3 389.304 3.539 20 10 GHCDHM Cc1cccc2c(CC(=O)NCc3cc(Cl)c4cccnc4c3[O-])noc21 ZINC001186547429 914650024 /nfs/dbraw/zinc/65/00/24/914650024.db2.gz UQDSMEJRJGUWIL-UHFFFAOYSA-N -1 3 381.819 3.902 20 10 GHCDHM Cc1cccc(-n2ccnc2SCC(=O)NCc2c([O-])cccc2F)c1C ZINC001178410601 909047237 /nfs/dbraw/zinc/04/72/37/909047237.db2.gz VJGMWONWJSDJFS-UHFFFAOYSA-N -1 3 385.464 3.742 20 10 GHCDHM CCOC(=O)CN(Cc1ccc(F)cc1)Cc1c([O-])cccc1Br ZINC001180194707 910030115 /nfs/dbraw/zinc/03/01/15/910030115.db2.gz LBUDVFOCJFWKCX-UHFFFAOYSA-N -1 3 396.256 3.859 20 10 GHCDHM CCOc1ccc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])cc1F ZINC001180262268 910053491 /nfs/dbraw/zinc/05/34/91/910053491.db2.gz OUSGGLUSUWOFET-UHFFFAOYSA-N -1 3 381.831 3.759 20 10 GHCDHM CCOC(=O)[C@H](Cc1ccccc1)N(C)Cc1c([O-])cccc1Br ZINC001181087159 910526843 /nfs/dbraw/zinc/52/68/43/910526843.db2.gz LRXKQPCAYKZBGJ-KRWDZBQOSA-N -1 3 392.293 3.761 20 10 GHCDHM COc1ccc2c(c1)CC[C@H]2C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001182449615 911702590 /nfs/dbraw/zinc/70/25/90/911702590.db2.gz ITRRIYAFURXMGC-MRXNPFEDSA-N -1 3 382.847 3.949 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000750056483 927409229 /nfs/dbraw/zinc/40/92/29/927409229.db2.gz IUPDFNKPUNWFSH-HNNXBMFYSA-N -1 3 382.888 3.689 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000757588576 929737052 /nfs/dbraw/zinc/73/70/52/929737052.db2.gz DOOUKRJJHYBJSH-OWCLPIDISA-N -1 3 384.476 3.966 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000781896636 931015540 /nfs/dbraw/zinc/01/55/40/931015540.db2.gz LVIFYOWSGUCGOY-UHFFFAOYSA-N -1 3 399.329 3.906 20 10 GHCDHM CC[C@@H]1CN(Cc2cc(C)cc(Br)c2[O-])[C@@H](CC)CN1C(C)=O ZINC000781913346 931025564 /nfs/dbraw/zinc/02/55/64/931025564.db2.gz SJADREJMDFHSGK-JKSUJKDBSA-N -1 3 383.330 3.684 20 10 GHCDHM CC(C)OCCOCc1cccc(NC(=O)NCc2c([O-])cccc2F)c1 ZINC000930007413 933771848 /nfs/dbraw/zinc/77/18/48/933771848.db2.gz PSMTVLSDGXQUFL-UHFFFAOYSA-N -1 3 376.428 3.795 20 10 GHCDHM C[C@H]([NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246748 994457625 /nfs/dbraw/zinc/45/76/25/994457625.db2.gz OKZZMFDNENJMGP-GXTWGEPZSA-N -1 3 397.393 3.611 20 10 GHCDHM COc1cc2[nH]c(CCC[NH2+][C@@H](C)c3cc(C(=O)[O-])ccc3[O-])cc2c(OC)c1 ZINC001599448784 998055034 /nfs/dbraw/zinc/05/50/34/998055034.db2.gz GWLPRBUQRUNCFN-ZDUSSCGKSA-N -1 3 398.459 3.872 20 10 GHCDHM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001594167079 998640659 /nfs/dbraw/zinc/64/06/59/998640659.db2.gz JGNYALPTAUNQKK-HIFRSBDPSA-N -1 3 381.314 3.734 20 10 GHCDHM COc1cc(O[C@@H]2CCOC(C)(C)C2)c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O ZINC001227391869 1032400667 /nfs/dbraw/zinc/40/06/67/1032400667.db2.gz BVBFIXVBCCKFPR-CYBMUJFWSA-N -1 3 396.439 3.821 20 10 GHCDHM O=C1C[C@]2(CN1CC(F)(F)F)CCCCN2Cc1cccc(Cl)c1[O-] ZINC001277231852 1032516734 /nfs/dbraw/zinc/51/67/34/1032516734.db2.gz GKUKNKTXMJPSTE-INIZCTEOSA-N -1 3 376.806 3.565 20 10 GHCDHM COC(=O)[C@@H](Oc1c(O)c([O-])ccc1C(=O)c1ccccc1)c1cccc(F)c1 ZINC001227939886 1032706630 /nfs/dbraw/zinc/70/66/30/1032706630.db2.gz FKVUWGZVXYKBEK-FQEVSTJZSA-N -1 3 396.370 3.761 20 10 GHCDHM Cc1ccc(OCc2nc(CC(=O)NCc3c([O-])cccc3F)cs2)cc1 ZINC001156170006 1032911311 /nfs/dbraw/zinc/91/13/11/1032911311.db2.gz BMOZVKAICSYXGI-UHFFFAOYSA-N -1 3 386.448 3.734 20 10 GHCDHM Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2c([O-])cccc2Cl)n1 ZINC001140338284 1021442963 /nfs/dbraw/zinc/44/29/63/1021442963.db2.gz DMQLNARLGIHFJJ-CEWLAPEOSA-N -1 3 388.895 3.698 20 10 GHCDHM CC(C)(C)OC(=O)N1CCC(N(Cc2c([O-])cccc2Cl)C2COC2)CC1 ZINC001140341398 1021452508 /nfs/dbraw/zinc/45/25/08/1021452508.db2.gz MKWUDZZXIMCNCJ-UHFFFAOYSA-N -1 3 396.915 3.646 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccnc(N3CCc4ccccc4C3)c2)c([O-])c1O ZINC001141321933 1024542728 /nfs/dbraw/zinc/54/27/28/1024542728.db2.gz WATJVVWRICRGSR-UHFFFAOYSA-N -1 3 375.428 3.616 20 10 GHCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CC2(CC(OCc3ccccc3)C2)C1 ZINC001139132373 1025944323 /nfs/dbraw/zinc/94/43/23/1025944323.db2.gz VUVRGSVLLJPBOC-UHFFFAOYSA-N -1 3 391.467 3.988 20 10 GHCDHM O=C1OC[C@@H]2[C@H](N(Cc3ccccc3)Cc3c(F)ccc(F)c3[O-])CCCN12 ZINC001139685270 1026538714 /nfs/dbraw/zinc/53/87/14/1026538714.db2.gz DAKJFMPLNNCASA-RTBURBONSA-N -1 3 388.414 3.656 20 10 GHCDHM O=C(Nc1ccccc1)N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC001140100718 1026877800 /nfs/dbraw/zinc/87/78/00/1026877800.db2.gz AEOAMDGUTKMACE-UHFFFAOYSA-N -1 3 390.281 3.504 20 10 GHCDHM O=S1(=O)CCN(Cc2cc3oc4ccccc4c3cc2[O-])CCC12CCC2 ZINC000840180552 1027317822 /nfs/dbraw/zinc/31/78/22/1027317822.db2.gz IVYCLLZINUVMIK-UHFFFAOYSA-N -1 3 385.485 3.835 20 10 GHCDHM [O-]c1ccc(Cl)cc1CN1CCO[C@@H]2[C@H](COCc3cccnc3)CC[C@@H]21 ZINC001203658803 1027513782 /nfs/dbraw/zinc/51/37/82/1027513782.db2.gz PBHBDZPRVDHKBV-NBHGPNQESA-N -1 3 388.895 3.637 20 10 GHCDHM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCC1(F)F ZINC001203664690 1027515675 /nfs/dbraw/zinc/51/56/75/1027515675.db2.gz QADYFFJFFHOFNF-CQSZACIVSA-N -1 3 376.831 3.780 20 10 GHCDHM COc1ccc(Oc2cc(CNC(=O)NCc3c([O-])cccc3F)ccn2)cc1 ZINC001210915147 1027705191 /nfs/dbraw/zinc/70/51/91/1027705191.db2.gz VXEMSAUZVCYZIO-UHFFFAOYSA-N -1 3 397.406 3.727 20 10 GHCDHM [O-]c1cc(F)c(F)cc1CN1CCN(c2cccc(OC(F)(F)F)c2)CC1 ZINC001142530498 1029034124 /nfs/dbraw/zinc/03/41/24/1029034124.db2.gz IGOJCFQOAIHQTK-UHFFFAOYSA-N -1 3 388.336 3.891 20 10 GHCDHM COc1cc([C@H](C)NC(=O)NCc2c([O-])cccc2F)ccc1OC(C)C ZINC001222185173 1029993494 /nfs/dbraw/zinc/99/34/94/1029993494.db2.gz ZNLMHSFIYXYBFR-ZDUSSCGKSA-N -1 3 376.428 3.888 20 10 GHCDHM Cc1cc(Br)cc(C)c1CNC(=O)NCc1c([O-])cccc1F ZINC001225481644 1031431915 /nfs/dbraw/zinc/43/19/15/1031431915.db2.gz UVRGJEXMWZFZBD-UHFFFAOYSA-N -1 3 381.245 3.910 20 10 GHCDHM O=C1c2cccc(OC[C@@H]3CC[C@@]4(CCCCO4)O3)c2C(=O)c2cccc([O-])c21 ZINC001229191510 1033332915 /nfs/dbraw/zinc/33/29/15/1033332915.db2.gz BKHRHKLYGZAFDJ-LFVRLGFBSA-N -1 3 394.423 3.622 20 10 GHCDHM CC(C)(C)OC(=O)Nc1cccc2c1CC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231454610 1034597841 /nfs/dbraw/zinc/59/78/41/1034597841.db2.gz SPFPARUEVFINEZ-UHFFFAOYSA-N -1 3 398.459 3.996 20 10 GHCDHM CC(C)(C)OC(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231454610 1034597857 /nfs/dbraw/zinc/59/78/57/1034597857.db2.gz SPFPARUEVFINEZ-UHFFFAOYSA-N -1 3 398.459 3.996 20 10 GHCDHM CCC[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231569377 1034719000 /nfs/dbraw/zinc/71/90/00/1034719000.db2.gz XGVDMZKMRBIRHU-OAHLLOKOSA-N -1 3 392.496 3.559 20 10 GHCDHM CCC[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231569377 1034719009 /nfs/dbraw/zinc/71/90/09/1034719009.db2.gz XGVDMZKMRBIRHU-OAHLLOKOSA-N -1 3 392.496 3.559 20 10 GHCDHM COC[C@@H]1CN(Cc2cc(Cl)c(C)cc2[O-])Cc2nn(CC3CC3)cc21 ZINC001231868581 1034955285 /nfs/dbraw/zinc/95/52/85/1034955285.db2.gz UVBKCJWWBXRREQ-INIZCTEOSA-N -1 3 375.900 3.706 20 10 GHCDHM COc1cc([O-])c(CN2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1Cl ZINC001232267162 1037987988 /nfs/dbraw/zinc/98/79/88/1037987988.db2.gz YHBYWSOAEYDEPS-ZDUSSCGKSA-N -1 3 384.904 3.886 20 10 GHCDHM COc1ccc2c(c1)CCN(Cc1ccc(I)cc1[O-])C2 ZINC001232974418 1038745653 /nfs/dbraw/zinc/74/56/53/1038745653.db2.gz NKUCDQXGUAMNIF-UHFFFAOYSA-N -1 3 395.240 3.564 20 10 GHCDHM CC(C)N1CCC2(CCN(Cc3c([O-])cc(Br)cc3F)CC2)C1=O ZINC001233033941 1038788916 /nfs/dbraw/zinc/78/89/16/1038788916.db2.gz YVNSTBJKTDHIFK-UHFFFAOYSA-N -1 3 399.304 3.517 20 10 GHCDHM O=C1OC[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233074705 1038838624 /nfs/dbraw/zinc/83/86/24/1038838624.db2.gz TWPQXFXOZZWTOM-SFHVURJKSA-N -1 3 388.414 3.828 20 10 GHCDHM [O-]c1ccc(F)c(F)c1CN1CCC(O)(c2ccc(Br)cc2)CC1 ZINC001233332675 1039129884 /nfs/dbraw/zinc/12/98/84/1039129884.db2.gz UCELIXXQTDGTIC-UHFFFAOYSA-N -1 3 398.247 3.917 20 10 GHCDHM CC(C)(C)OC(=O)N1CCC2(CN(Cc3cccc(C(F)(F)F)c3[O-])C2)C1 ZINC001233416769 1039272158 /nfs/dbraw/zinc/27/21/58/1039272158.db2.gz VRRGIUBVGRDPEU-UHFFFAOYSA-N -1 3 386.414 3.854 20 10 GHCDHM O=C(Cc1ccccc1)N1CCCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233419390 1039279577 /nfs/dbraw/zinc/27/95/77/1039279577.db2.gz WKQFPZIWEUCJIJ-UHFFFAOYSA-N -1 3 392.421 3.688 20 10 GHCDHM Cc1cc([O-])c(CN[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)cc1Cl ZINC001462385366 1070216645 /nfs/dbraw/zinc/21/66/45/1070216645.db2.gz GRAZQWNGHYPRGB-ZDUSSCGKSA-N -1 3 382.810 3.899 20 10 GHCDHM CCC(=O)[C@H](CC)Oc1c(C)cc2c(c1OC)C(=O)c1c([O-])cccc1C2=O ZINC001234133961 1039874721 /nfs/dbraw/zinc/87/47/21/1039874721.db2.gz UMNBGTMKFDGJMY-INIZCTEOSA-N -1 3 382.412 3.621 20 10 GHCDHM COc1ccccc1O[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001235066171 1040555128 /nfs/dbraw/zinc/55/51/28/1040555128.db2.gz XXZATYSEFNVPJQ-CQSZACIVSA-N -1 3 396.256 3.956 20 10 GHCDHM CCOC(=O)CCC1CCN(Cc2cc(F)cc(Br)c2[O-])CC1 ZINC001235300919 1040770817 /nfs/dbraw/zinc/77/08/17/1040770817.db2.gz CLZKCAUBHRVNNU-UHFFFAOYSA-N -1 3 388.277 3.849 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC(Oc3ccccn3)CC2)c1 ZINC001236663265 1041811250 /nfs/dbraw/zinc/81/12/50/1041811250.db2.gz FZGICQCTNUKVBP-UHFFFAOYSA-N -1 3 377.282 3.902 20 10 GHCDHM COC(=O)[C@H]1CN(Cc2cc(C)cc(Br)c2[O-])Cc2ccccc21 ZINC001236668712 1041816575 /nfs/dbraw/zinc/81/65/75/1041816575.db2.gz DWIQUXWDQCUQDH-INIZCTEOSA-N -1 3 390.277 3.736 20 10 GHCDHM COc1cc([O-])c(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC(C)(C)C)c(Cl)c1 ZINC001236804676 1041906365 /nfs/dbraw/zinc/90/63/65/1041906365.db2.gz WRIDAYJYCDRVPB-YEWDVWPNSA-N -1 3 381.900 3.996 20 10 GHCDHM COc1cc([O-])c(CN2CCOC[C@H]2C2CCCCC2)c(Br)c1 ZINC001237068157 1042019561 /nfs/dbraw/zinc/01/95/61/1042019561.db2.gz NDRLPUZBADHOBE-KRWDZBQOSA-N -1 3 384.314 3.944 20 10 GHCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCn2cc(CN3CCCC3)nc2C1 ZINC001237078956 1042024707 /nfs/dbraw/zinc/02/47/07/1042024707.db2.gz DVPRSYXMACHTHK-UHFFFAOYSA-N -1 3 381.307 3.507 20 10 GHCDHM O=C(NC1CCC1)[C@H]1CC12CCN(Cc1c([O-])ccc(Cl)c1Cl)CC2 ZINC001237079603 1042025182 /nfs/dbraw/zinc/02/51/82/1042025182.db2.gz DWANEDCNBHVYTG-CQSZACIVSA-N -1 3 383.319 3.970 20 10 GHCDHM O=C(NC1CCC1)[C@@H]1CC12CCN(Cc1c([O-])ccc(Cl)c1Cl)CC2 ZINC001237079602 1042025705 /nfs/dbraw/zinc/02/57/05/1042025705.db2.gz DWANEDCNBHVYTG-AWEZNQCLSA-N -1 3 383.319 3.970 20 10 GHCDHM [O-]c1ccc(F)c(Cl)c1CN1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001237122153 1042049457 /nfs/dbraw/zinc/04/94/57/1042049457.db2.gz SKCQGHBGGJXUDE-POZUXBRTSA-N -1 3 392.858 3.781 20 10 GHCDHM COCCOc1ccc(N2CCN(Cc3c([O-])ccc(F)c3Cl)CC2)cc1 ZINC001237131738 1042056000 /nfs/dbraw/zinc/05/60/00/1042056000.db2.gz WXSVEKCQVAHLGC-UHFFFAOYSA-N -1 3 394.874 3.532 20 10 GHCDHM Nc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1 ZINC001237605168 1042278961 /nfs/dbraw/zinc/27/89/61/1042278961.db2.gz RPGNBZTUYBGWAQ-UHFFFAOYSA-N -1 3 395.200 3.851 20 10 GHCDHM CC(C)N(C)Cc1cnc2n1CCN(Cc1cc(Cl)cc(F)c1[O-])[C@H]2C ZINC001237618144 1042285265 /nfs/dbraw/zinc/28/52/65/1042285265.db2.gz FVKFIIRFEDBDSE-ZDUSSCGKSA-N -1 3 380.895 3.798 20 10 GHCDHM Cc1cc([O-])c(CN2CCN(C(=O)C3CCCCC3)CC2)cc1Br ZINC001237682823 1042323879 /nfs/dbraw/zinc/32/38/79/1042323879.db2.gz SURJXMKEOMVDIO-UHFFFAOYSA-N -1 3 395.341 3.688 20 10 GHCDHM Cc1cc([O-])c(CN2CC[C@@H]2N(C)C(=O)OC(C)(C)C)cc1Br ZINC001237687046 1042327756 /nfs/dbraw/zinc/32/77/56/1042327756.db2.gz YZAYBQXDTNNKFH-OAHLLOKOSA-N -1 3 385.302 3.862 20 10 GHCDHM C[C@@H]1CCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])CC[C@H]1O ZINC001237784065 1042367119 /nfs/dbraw/zinc/36/71/19/1042367119.db2.gz PEUTYPBTNFUGOV-NOZJJQNGSA-N -1 3 382.220 3.766 20 10 GHCDHM [O-]c1c(CN2CCC[C@H](CCO)C2)cc(Br)cc1C(F)(F)F ZINC001237791596 1042372054 /nfs/dbraw/zinc/37/20/54/1042372054.db2.gz KGCJOHVWUKHSTO-SNVBAGLBSA-N -1 3 382.220 3.768 20 10 GHCDHM CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001279073280 1044385996 /nfs/dbraw/zinc/38/59/96/1044385996.db2.gz AGWWBTKOJPWASA-BMFZPTHFSA-N -1 3 380.916 3.866 20 10 GHCDHM O=C(Cc1ccc(OCCOc2ccccc2)cc1)NCc1c([O-])cccc1F ZINC001303875168 1047525696 /nfs/dbraw/zinc/52/56/96/1047525696.db2.gz BRIHHXFGZZXMNX-UHFFFAOYSA-N -1 3 395.430 3.848 20 10 GHCDHM O=C1N[C@@H](c2c([O-])cccc2Br)Nc2ccc(Br)cc21 ZINC001331744339 1051366128 /nfs/dbraw/zinc/36/61/28/1051366128.db2.gz UVMBUYFVXOLIKF-ZDUSSCGKSA-N -1 3 398.054 3.771 20 10 GHCDHM CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001354602760 1056805191 /nfs/dbraw/zinc/80/51/91/1056805191.db2.gz WXPMGIVCGRYCPY-UHFFFAOYSA-N -1 3 394.468 3.566 20 10 GHCDHM CCCNC(=O)OC[C@H]1CCCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC001460065405 1064392342 /nfs/dbraw/zinc/39/23/42/1064392342.db2.gz NNMQTHHEHWNFOP-MRXNPFEDSA-N -1 3 382.888 3.739 20 10 GHCDHM Cc1cc(C(=O)N[C@H](C)C2CCCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233413 598868939 /nfs/dbraw/zinc/86/89/39/598868939.db2.gz JFBZKLYONBJJGY-CQSZACIVSA-N -1 3 378.480 3.583 20 10 GHCDHM Cc1ccc(C=C2SC(=S)N(c3ccccc3-c3nnn[n-]3)C2=O)cc1F ZINC000737329833 598583329 /nfs/dbraw/zinc/58/33/29/598583329.db2.gz OCJLHBUFGNAQKT-DHDCSXOGSA-N -1 3 397.460 3.720 20 10 GHCDHM Cc1ccc(C=C2SC(=S)N(c3ccccc3-c3nn[n-]n3)C2=O)cc1F ZINC000737329833 598583331 /nfs/dbraw/zinc/58/33/31/598583331.db2.gz OCJLHBUFGNAQKT-DHDCSXOGSA-N -1 3 397.460 3.720 20 10 GHCDHM COc1ccccc1NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737151586 598608898 /nfs/dbraw/zinc/60/88/98/598608898.db2.gz HIUJWZLHHNZYOR-UHFFFAOYSA-N -1 3 388.431 3.535 20 10 GHCDHM Cc1cc(C(=O)Nc2cc(F)cc(F)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236112 598610947 /nfs/dbraw/zinc/61/09/47/598610947.db2.gz BBEWUTZDJBRMHS-UHFFFAOYSA-N -1 3 394.385 3.805 20 10 GHCDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2F)SC(=S)N1C1CCCCC1 ZINC000823504813 607462934 /nfs/dbraw/zinc/46/29/34/607462934.db2.gz UYNWSZGJBFIOEP-NTEUORMPSA-N -1 3 389.481 3.540 20 10 GHCDHM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2F)SC(=S)N1C1CCCCC1 ZINC000823504813 607462935 /nfs/dbraw/zinc/46/29/35/607462935.db2.gz UYNWSZGJBFIOEP-NTEUORMPSA-N -1 3 389.481 3.540 20 10 GHCDHM C[C@@H]1CCCC[C@H]1N1C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)SC1=S ZINC000820703575 606335544 /nfs/dbraw/zinc/33/55/44/606335544.db2.gz HXZVZEUBMDEUGA-SEXWMPPMSA-N -1 3 391.547 3.708 20 10 GHCDHM C[C@@H]1CCCC[C@H]1N1C(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)SC1=S ZINC000820703575 606335546 /nfs/dbraw/zinc/33/55/46/606335546.db2.gz HXZVZEUBMDEUGA-SEXWMPPMSA-N -1 3 391.547 3.708 20 10 GHCDHM Cc1ccc(N2C(=O)C(=Cc3cc(-c4nnn[n-]4)cs3)SC2=S)c(C)c1 ZINC000822241251 606336520 /nfs/dbraw/zinc/33/65/20/606336520.db2.gz PHFOHPNTAYKUAR-VGOFMYFVSA-N -1 3 399.526 3.951 20 10 GHCDHM Cc1ccc(N2C(=O)C(=Cc3cc(-c4nn[n-]n4)cs3)SC2=S)c(C)c1 ZINC000822241251 606336522 /nfs/dbraw/zinc/33/65/22/606336522.db2.gz PHFOHPNTAYKUAR-VGOFMYFVSA-N -1 3 399.526 3.951 20 10 GHCDHM Cc1c(Cl)cnc(N2CC=C(c3ccc(Cl)nc3)CC2)c1-c1nnn[n-]1 ZINC000826236957 609584076 /nfs/dbraw/zinc/58/40/76/609584076.db2.gz JCHAXZJZAFLHLA-UHFFFAOYSA-N -1 3 388.262 3.566 20 10 GHCDHM Cc1c(Cl)cnc(N2CC=C(c3ccc(Cl)nc3)CC2)c1-c1nn[n-]n1 ZINC000826236957 609584077 /nfs/dbraw/zinc/58/40/77/609584077.db2.gz JCHAXZJZAFLHLA-UHFFFAOYSA-N -1 3 388.262 3.566 20 10 GHCDHM COC(=O)c1nc([C@H]2CCCN2Cc2cc(F)cc(C(C)=O)c2[O-])sc1C ZINC000280534190 846435692 /nfs/dbraw/zinc/43/56/92/846435692.db2.gz SPARWOZZGHHWPU-OAHLLOKOSA-N -1 3 392.452 3.623 20 10 GHCDHM C[C@H]([NH2+]C[C@@]([O-])(c1nccn1C)C(F)(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000273438760 847338767 /nfs/dbraw/zinc/33/87/67/847338767.db2.gz MLZZNVFTXXBZLJ-RMLUDKJBSA-N -1 3 398.212 3.533 20 10 GHCDHM COC(=O)CN(Cc1cn2cc(Cl)ccc2n1)Cc1cc(Cl)ccc1[O-] ZINC000732202732 862144658 /nfs/dbraw/zinc/14/46/58/862144658.db2.gz ACVRTEHXRHROAQ-UHFFFAOYSA-N -1 3 394.258 3.522 20 10 GHCDHM Cn1nc(C(F)(F)F)cc1CNCc1cc(Cl)cc(Br)c1[O-] ZINC000922714494 860510779 /nfs/dbraw/zinc/51/07/79/860510779.db2.gz ZEVQGEZNSZLKHW-UHFFFAOYSA-N -1 3 398.610 3.850 20 10 GHCDHM CCOC(=O)c1ncc(NC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)[n-]1 ZINC001195262607 872290695 /nfs/dbraw/zinc/29/06/95/872290695.db2.gz PZMFAMBTNQPWBN-WCWDXBQESA-N -1 3 379.376 3.960 20 10 GHCDHM CCOC(=O)c1nc(NC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)c[n-]1 ZINC001195262607 872290711 /nfs/dbraw/zinc/29/07/11/872290711.db2.gz PZMFAMBTNQPWBN-WCWDXBQESA-N -1 3 379.376 3.960 20 10 GHCDHM CCN(CC)c1ccc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1 ZINC000174691421 872574222 /nfs/dbraw/zinc/57/42/22/872574222.db2.gz MQDASYLRFCBHSI-UHFFFAOYSA-N -1 3 377.492 3.907 20 10 GHCDHM [O-]c1ccc(Cl)cc1CN1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000769144382 873838970 /nfs/dbraw/zinc/83/89/70/873838970.db2.gz IWRDNQMXPCKUMC-UHFFFAOYSA-N -1 3 391.302 3.665 20 10 GHCDHM O=C(NC1CCCCC1)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000769163709 873859104 /nfs/dbraw/zinc/85/91/04/873859104.db2.gz DDXOBIQPHUXGKW-UHFFFAOYSA-N -1 3 395.887 3.615 20 10 GHCDHM CCOc1cc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])ccc1OC ZINC000769381345 874010147 /nfs/dbraw/zinc/01/01/47/874010147.db2.gz NMPLDWCTMNNSOO-UHFFFAOYSA-N -1 3 393.867 3.628 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cnccc1OC1CCC1 ZINC001198877088 874693395 /nfs/dbraw/zinc/69/33/95/874693395.db2.gz ZTWOLRUZIFGBBT-UHFFFAOYSA-N -1 3 383.835 3.850 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)c([O-])c1O ZINC000770470110 874701870 /nfs/dbraw/zinc/70/18/70/874701870.db2.gz WRDXPKVRPDPHOP-KBPBESRZSA-N -1 3 382.460 3.777 20 10 GHCDHM C[C@H]1CN(Cc2cc(Br)cc(Br)c2[O-])CCC[C@H]1O ZINC001203563864 912404853 /nfs/dbraw/zinc/40/48/53/912404853.db2.gz AHRANBYZCWPQOR-TVQRCGJNSA-N -1 3 393.119 3.510 20 10 GHCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Br)c(F)cc1C ZINC000790418646 879700041 /nfs/dbraw/zinc/70/00/41/879700041.db2.gz ZHPNGZLPAZWYEQ-UHFFFAOYSA-N -1 3 388.258 3.965 20 10 GHCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000790418559 879700433 /nfs/dbraw/zinc/70/04/33/879700433.db2.gz VVZVKTGTDYWHRQ-UHFFFAOYSA-N -1 3 376.478 3.740 20 10 GHCDHM CCCCN1CC[C@@]2(CCCN2Cc2cc(Br)ccc2[O-])C1=O ZINC001275242047 912815687 /nfs/dbraw/zinc/81/56/87/912815687.db2.gz QJKKWENYBUEIFQ-SFHVURJKSA-N -1 3 381.314 3.522 20 10 GHCDHM CN(Cc1cn(-c2cccc(Br)c2)nn1)Cc1cc(F)ccc1[O-] ZINC000796013431 913173277 /nfs/dbraw/zinc/17/32/77/913173277.db2.gz HIEBAIWHOGHYHC-UHFFFAOYSA-N -1 3 391.244 3.507 20 10 GHCDHM Cc1noc(C)c1CO[C@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000809749905 887786958 /nfs/dbraw/zinc/78/69/58/887786958.db2.gz MKZLQICVOMSQPE-AWEZNQCLSA-N -1 3 381.270 3.551 20 10 GHCDHM COc1ccc(CN[C@@H](C)c2cc(Br)cc(F)c2[O-])c(OC)n1 ZINC000810260774 888326006 /nfs/dbraw/zinc/32/60/06/888326006.db2.gz PHGFZAQWEVIGDG-VIFPVBQESA-N -1 3 385.233 3.557 20 10 GHCDHM Cc1nsc(C)c1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000815835602 894246366 /nfs/dbraw/zinc/24/63/66/894246366.db2.gz YZCBINMFHMVWDE-HNNXBMFYSA-N -1 3 379.913 3.513 20 10 GHCDHM Cc1cccc(NC(=O)[C@H]2CCCN(Cc3cc(Cl)c(F)cc3[O-])C2)n1 ZINC000816488933 894856868 /nfs/dbraw/zinc/85/68/68/894856868.db2.gz IGDCXRCFHPAKAE-ZDUSSCGKSA-N -1 3 377.847 3.739 20 10 GHCDHM COC(=O)c1cnc([C@H](C)NCc2cc(C)cc(Br)c2[O-])s1 ZINC000818230751 896091223 /nfs/dbraw/zinc/09/12/23/896091223.db2.gz DIJGLDGEXSSQDF-VIFPVBQESA-N -1 3 385.283 3.557 20 10 GHCDHM Cc1cc(C(=O)NCCCc2cc(=O)[nH][n-]2)c(C)n1-c1cccc(C(C)C)c1 ZINC000819869285 897023854 /nfs/dbraw/zinc/02/38/54/897023854.db2.gz JYYFWKIAYNOOCK-UHFFFAOYSA-N -1 3 380.492 3.603 20 10 GHCDHM COc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c(Br)c1 ZINC000774943155 914123197 /nfs/dbraw/zinc/12/31/97/914123197.db2.gz VBUBKSVSWUSWOW-UHFFFAOYSA-N -1 3 383.198 3.692 20 10 GHCDHM COC(=O)c1ccccc1NC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001202691122 899310446 /nfs/dbraw/zinc/31/04/46/899310446.db2.gz VYINSNGYFAPYNO-UHFFFAOYSA-N -1 3 385.807 3.702 20 10 GHCDHM [O-]c1cc(Br)ccc1CN1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000824919908 899889768 /nfs/dbraw/zinc/88/97/68/899889768.db2.gz AQICZNNJPVVDGS-GDBMZVCRSA-N -1 3 398.322 3.541 20 10 GHCDHM CC[C@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000844213306 900608539 /nfs/dbraw/zinc/60/85/39/900608539.db2.gz WPKWZEGUTGQRHR-JQYPEGPJSA-N -1 3 395.459 3.793 20 10 GHCDHM CN(CCN(C)C(=O)OC(C)(C)C)Cc1cc(Br)c(F)cc1[O-] ZINC001144299282 901649449 /nfs/dbraw/zinc/64/94/49/901649449.db2.gz UQLHAKPHXORGTE-UHFFFAOYSA-N -1 3 391.281 3.593 20 10 GHCDHM CCn1c2ccccc2nc1[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC001148225568 904011101 /nfs/dbraw/zinc/01/11/01/904011101.db2.gz PSENAQYWAAOQQK-FQEVSTJZSA-N -1 3 387.439 3.987 20 10 GHCDHM Cc1cc(Oc2ccn3ccnc3c2)ccc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148586677 904127514 /nfs/dbraw/zinc/12/75/14/904127514.db2.gz SVIYWNDRKFMJEC-UHFFFAOYSA-N -1 3 391.383 3.804 20 10 GHCDHM CC(C)N(C[C@H](O)c1ccc2ccccc2c1)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148588600 904129015 /nfs/dbraw/zinc/12/90/15/904129015.db2.gz WJLAXEUYRAWRDP-FQEVSTJZSA-N -1 3 381.428 3.541 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])C1(c2ccccc2)CCOCC1 ZINC001178720097 909186052 /nfs/dbraw/zinc/18/60/52/909186052.db2.gz BROTUIREXOLALT-UHFFFAOYSA-N -1 3 396.874 3.958 20 10 GHCDHM O=C(CCn1ncc2ccccc21)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001180063150 909922123 /nfs/dbraw/zinc/92/21/23/909922123.db2.gz SCIVDUIPVYCVLA-UHFFFAOYSA-N -1 3 380.835 3.650 20 10 GHCDHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3ccc(Br)cc3[O-])[C@@H]2C1 ZINC001182489332 911839365 /nfs/dbraw/zinc/83/93/65/911839365.db2.gz JXGUNGIEYNROMJ-IUODEOHRSA-N -1 3 397.313 3.596 20 10 GHCDHM CCOC(=O)[C@@H]1CCC[C@H](C(=O)NCc2cc(Cl)c3cccnc3c2[O-])C1 ZINC001183010556 912189321 /nfs/dbraw/zinc/18/93/21/912189321.db2.gz FPEKWMUTGFQMAN-QWHCGFSZSA-N -1 3 390.867 3.580 20 10 GHCDHM COCCOc1ccccc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001187211961 915122083 /nfs/dbraw/zinc/12/20/83/915122083.db2.gz LSSHCZNENLHTOO-UHFFFAOYSA-N -1 3 386.835 3.549 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1csc(C(F)(F)F)n1 ZINC001191017476 917708284 /nfs/dbraw/zinc/70/82/84/917708284.db2.gz HXHODOSGYCQZRW-UHFFFAOYSA-N -1 3 387.770 3.999 20 10 GHCDHM COc1ccccc1CN(Cc1cc(F)cc(C(C)=O)c1[O-])C[C@@H]1CCCO1 ZINC000750819430 927871560 /nfs/dbraw/zinc/87/15/60/927871560.db2.gz AYXHXCCLLWJEIF-IBGZPJMESA-N -1 3 387.451 3.924 20 10 GHCDHM COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(C)c(O)c3[O-])n2)c1 ZINC000751533403 928236645 /nfs/dbraw/zinc/23/66/45/928236645.db2.gz OXDUNOGXALJRAT-UHFFFAOYSA-N -1 3 386.429 3.799 20 10 GHCDHM [O-]c1cccc(F)c1CN1CCO[C@]2(CCC[C@H]2COCc2cccnc2)C1 ZINC001137834506 935813507 /nfs/dbraw/zinc/81/35/07/935813507.db2.gz JIPIPNIXZGQTBE-PGRDOPGGSA-N -1 3 386.467 3.514 20 10 GHCDHM CN(C)c1ccc(CN[C@@](C)(CC(=O)[O-])c2ccncc2)c(C(F)(F)F)c1 ZINC001598320894 991321876 /nfs/dbraw/zinc/32/18/76/991321876.db2.gz ZGTDELWVMOKEOY-SFHVURJKSA-N -1 3 381.398 3.646 20 10 GHCDHM Cc1c([C@@H](C)NC(=O)NCc2c([O-])cccc2F)cnn1-c1ccc(F)cc1 ZINC001221596766 1032475424 /nfs/dbraw/zinc/47/54/24/1032475424.db2.gz WGIQWWGIJFFLPX-GFCCVEGCSA-N -1 3 386.402 3.725 20 10 GHCDHM COc1cc(OC2CCN(C(C)C)CC2)c2c([O-])c3c(=O)c(O)ccc-3oc2c1 ZINC001227658460 1032507318 /nfs/dbraw/zinc/50/73/18/1032507318.db2.gz WZVHZFRUAAAKKL-UHFFFAOYSA-N -1 3 399.443 3.618 20 10 GHCDHM COc1cccc(OCCN2CCN(Cc3cc(Cl)c(C)cc3[O-])CC2)c1 ZINC001204211524 1032662216 /nfs/dbraw/zinc/66/22/16/1032662216.db2.gz BPGCHVWSTFNDSF-UHFFFAOYSA-N -1 3 390.911 3.559 20 10 GHCDHM CCOC[C@H]1CN(Cc2c([O-])cccc2Cl)Cc2c1cnn2CC1CC1 ZINC001140339528 1021446448 /nfs/dbraw/zinc/44/64/48/1021446448.db2.gz WDNYMSGGPLSLMW-OAHLLOKOSA-N -1 3 375.900 3.788 20 10 GHCDHM Cc1cc(N2CCN(Cc3ccc(Cl)cc3[O-])CC2)n(-c2ccccc2)n1 ZINC001140464336 1021756131 /nfs/dbraw/zinc/75/61/31/1021756131.db2.gz LQRHPRLEJMSXAX-UHFFFAOYSA-N -1 3 382.895 3.862 20 10 GHCDHM [O-]c1cc(F)cc(F)c1CN1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 ZINC001140581019 1022001555 /nfs/dbraw/zinc/00/15/55/1022001555.db2.gz OXGVWIOSCJJQGS-IBGZPJMESA-N -1 3 395.400 3.803 20 10 GHCDHM O=C1[C@H](NCc2cc(Cl)cc(Cl)c2[O-])CCN1c1c(F)cccc1F ZINC000756151154 1023538646 /nfs/dbraw/zinc/53/86/46/1023538646.db2.gz QPXUVWOFVWTBGZ-CQSZACIVSA-N -1 3 387.213 3.872 20 10 GHCDHM C[C@H](NCC(=O)Nc1ccc(Br)cc1)c1cc(F)cc(F)c1[O-] ZINC000756478579 1023677320 /nfs/dbraw/zinc/67/73/20/1023677320.db2.gz DOKCPFOJJVLMMQ-VIFPVBQESA-N -1 3 385.208 3.722 20 10 GHCDHM C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)[n-]1)c1cc(Br)cc(F)c1[O-] ZINC000756867115 1023840034 /nfs/dbraw/zinc/84/00/34/1023840034.db2.gz FYVHVBBLJLPZJJ-SNVBAGLBSA-N -1 3 391.244 3.930 20 10 GHCDHM COC(CN(Cc1ccccc1)Cc1c([O-])cccc1Br)OC ZINC001140098487 1026874993 /nfs/dbraw/zinc/87/49/93/1026874993.db2.gz BLRBMQZBIGSFGD-UHFFFAOYSA-N -1 3 380.282 3.776 20 10 GHCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001203578050 1027447029 /nfs/dbraw/zinc/44/70/29/1027447029.db2.gz KMCXUQUMHZFJAI-APWZRJJASA-N -1 3 395.286 3.906 20 10 GHCDHM CC(C)(C)OC(=O)N[C@H]1CN(Cc2cc(Cl)ccc2[O-])CC(F)(F)C1 ZINC001203664823 1027518307 /nfs/dbraw/zinc/51/83/07/1027518307.db2.gz XPWWHWHJYFOGFM-CYBMUJFWSA-N -1 3 376.831 3.780 20 10 GHCDHM Cc1cc([O-])c(CN2CCn3c(CCc4ccccc4)nnc3C2)c(Cl)c1 ZINC000840915652 1027951834 /nfs/dbraw/zinc/95/18/34/1027951834.db2.gz DZZUYGRBWHPBLX-UHFFFAOYSA-N -1 3 382.895 3.747 20 10 GHCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccc(Br)c(F)c2F)no1 ZINC001215325119 1029153311 /nfs/dbraw/zinc/15/33/11/1029153311.db2.gz BVGHTUAROLKMGL-UHFFFAOYSA-N -1 3 385.120 3.561 20 10 GHCDHM Cc1cnc(-c2noc(-c3ccc([O-])c(O)c3Cl)n2)c(Br)c1 ZINC001216954076 1030027027 /nfs/dbraw/zinc/02/70/27/1030027027.db2.gz NYDWUDGYZBFMKC-UHFFFAOYSA-N -1 3 382.601 3.934 20 10 GHCDHM O=C1[C@H](NCc2ccc(F)c(F)c2[O-])CCN1c1ccccc1C(F)(F)F ZINC001205434337 1033410411 /nfs/dbraw/zinc/41/04/11/1033410411.db2.gz MMPQHEIQGKKGRF-CYBMUJFWSA-N -1 3 386.320 3.584 20 10 GHCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@H](c3ccc(Br)cc3)C2)c1 ZINC001231563866 1034712373 /nfs/dbraw/zinc/71/23/73/1034712373.db2.gz FQIUURPUOPEIKR-AWEZNQCLSA-N -1 3 376.250 3.842 20 10 GHCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@H](c3ccc(Br)cc3)C2)c1 ZINC001231563866 1034712383 /nfs/dbraw/zinc/71/23/83/1034712383.db2.gz FQIUURPUOPEIKR-AWEZNQCLSA-N -1 3 376.250 3.842 20 10 GHCDHM Nc1cc(C(F)(F)NCc2cc(Br)ccc2[O-])cnc1Cl ZINC001160019465 1034831509 /nfs/dbraw/zinc/83/15/09/1034831509.db2.gz KXSLNGLDZWBZCU-UHFFFAOYSA-N -1 3 378.604 3.624 20 10 GHCDHM Cc1cc([O-])c(CN2CCO[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)cc1Cl ZINC001231868898 1034954827 /nfs/dbraw/zinc/95/48/27/1034954827.db2.gz ZMEAIUSTNUONGT-WMZOPIPTSA-N -1 3 396.915 3.564 20 10 GHCDHM COC(=O)c1ccc(CN2CCN(Cc3cccc(Cl)c3[O-])[C@@H](C)C2)cc1 ZINC001231911480 1034985817 /nfs/dbraw/zinc/98/58/17/1034985817.db2.gz HAMPLSZHCLARAM-HNNXBMFYSA-N -1 3 388.895 3.539 20 10 GHCDHM C[C@@H]1CN(Cc2ccc(Br)cc2[O-])C[C@H](C)N1C(=O)OC(C)(C)C ZINC001461987049 1069930233 /nfs/dbraw/zinc/93/02/33/1069930233.db2.gz OFIKHWPMMYZGBG-BETUJISGSA-N -1 3 399.329 3.984 20 10 GHCDHM CCOC[C@@H]1CN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])Cc2nnn(C)c21 ZINC001248882752 1036222905 /nfs/dbraw/zinc/22/29/05/1036222905.db2.gz NTLQKKRETOJGJF-AWEZNQCLSA-N -1 3 392.931 3.608 20 10 GHCDHM COc1cc([O-])c(CN2CCCC23CN(C(=O)OC(C)(C)C)C3)cc1Cl ZINC001232265746 1037986597 /nfs/dbraw/zinc/98/65/97/1037986597.db2.gz FFQVEXIWRPCXBI-UHFFFAOYSA-N -1 3 382.888 3.640 20 10 GHCDHM CCOC(=O)c1sc(-c2ccc([O-])c(CN3CCOC[C@@H]3CC)c2)nc1C ZINC001232454187 1038238744 /nfs/dbraw/zinc/23/87/44/1038238744.db2.gz XTHLSABJOFKBMX-INIZCTEOSA-N -1 3 390.505 3.612 20 10 GHCDHM [O-]c1cc(I)ccc1CN1CCC[C@@H](C(F)(F)F)C1 ZINC001232978420 1038747055 /nfs/dbraw/zinc/74/70/55/1038747055.db2.gz GTTAICZRZGBTLV-SNVBAGLBSA-N -1 3 385.167 3.771 20 10 GHCDHM [O-]c1cc(Br)cc(F)c1CN1CC[C@@H](N2CCCCC2)[C@@H](F)C1 ZINC001233033947 1038787765 /nfs/dbraw/zinc/78/77/65/1038787765.db2.gz YWFIXHYJEKTNLK-JKSUJKDBSA-N -1 3 389.284 3.692 20 10 GHCDHM O=C(c1cccs1)N1CCC[C@]2(CCN(Cc3c([O-])ccc(F)c3F)C2)C1 ZINC001233333237 1039131150 /nfs/dbraw/zinc/13/11/50/1039131150.db2.gz OPVYQZCAGSWIJS-HXUWFJFHSA-N -1 3 392.471 3.860 20 10 GHCDHM CCOC(=O)[C@H]1CCN(Cc2c([O-])ccc(F)c2F)C[C@H]1c1ccccc1 ZINC001233335622 1039138071 /nfs/dbraw/zinc/13/80/71/1039138071.db2.gz DMFLJFMWPKNENR-HOTGVXAUSA-N -1 3 375.415 3.839 20 10 GHCDHM O=C1c2cccc(F)c2CN1[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233420079 1039281638 /nfs/dbraw/zinc/28/16/38/1039281638.db2.gz YVMAXHVKJLNEQD-CYBMUJFWSA-N -1 3 394.368 3.780 20 10 GHCDHM COc1ccc(OC2CCN(Cc3cccc(C(F)(F)F)c3[O-])CC2)nc1 ZINC001233419934 1039282653 /nfs/dbraw/zinc/28/26/53/1039282653.db2.gz SDKDISOQBOKYDZ-UHFFFAOYSA-N -1 3 382.382 3.858 20 10 GHCDHM CC(C)(C)OC(=O)CC[C@H]1COCCN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233455295 1039345844 /nfs/dbraw/zinc/34/58/44/1039345844.db2.gz FCJUSRDJHQCDAH-HNNXBMFYSA-N -1 3 389.414 3.734 20 10 GHCDHM COc1ccc2ccc([O-])c(CN3CCNC(=O)[C@H]3c3ccc(Cl)cc3)c2c1 ZINC001234568864 1040135303 /nfs/dbraw/zinc/13/53/03/1040135303.db2.gz GBZWJIBRKMHITO-OAQYLSRUSA-N -1 3 396.874 3.881 20 10 GHCDHM COc1ccc(CN(C)Cc2cc(F)cc(Br)c2[O-])cc1OC ZINC001235302142 1040774361 /nfs/dbraw/zinc/77/43/61/1040774361.db2.gz MKNQHESWOAPZRR-UHFFFAOYSA-N -1 3 384.245 3.943 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@H](Oc3ncncc3C)C2)c1 ZINC001236671815 1041819779 /nfs/dbraw/zinc/81/97/79/1041819779.db2.gz YYQSMPHRFTWXMT-HNNXBMFYSA-N -1 3 392.297 3.605 20 10 GHCDHM COc1ccc(CN2CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c([O-])c1Cl ZINC001236801400 1041903880 /nfs/dbraw/zinc/90/38/80/1041903880.db2.gz IRYHHXWURWWNBV-TZMCWYRMSA-N -1 3 384.904 3.789 20 10 GHCDHM COc1ccc(CN2CCC[C@H](Oc3ncccc3OC)C2)c([O-])c1Cl ZINC001236806535 1041907185 /nfs/dbraw/zinc/90/71/85/1041907185.db2.gz BIZBBAVVOUBFNJ-AWEZNQCLSA-N -1 3 378.856 3.501 20 10 GHCDHM COc1cc([O-])c(CN2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c(Cl)c1 ZINC001236805704 1041907233 /nfs/dbraw/zinc/90/72/33/1041907233.db2.gz IVNWFLWXKPFLDH-LRDDRELGSA-N -1 3 384.904 3.932 20 10 GHCDHM COc1cc([O-])c(CN2CCN(C[C@H](OC)c3ccccc3)CC2)c(Cl)c1 ZINC001236808530 1041908660 /nfs/dbraw/zinc/90/86/60/1041908660.db2.gz OHGHFTXHHZBBBR-NRFANRHFSA-N -1 3 390.911 3.560 20 10 GHCDHM COc1ccc(CN2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C)c([O-])c1Cl ZINC001236809786 1041910562 /nfs/dbraw/zinc/91/05/62/1041910562.db2.gz OGHPMFVVTKYKNR-TZMCWYRMSA-N -1 3 384.904 3.932 20 10 GHCDHM O=C1N(c2cccnc2)CC12CCN(Cc1c([O-])ccc(Cl)c1Cl)CC2 ZINC001237082715 1042027315 /nfs/dbraw/zinc/02/73/15/1042027315.db2.gz UMZQPGQGSJXZHH-UHFFFAOYSA-N -1 3 392.286 3.723 20 10 GHCDHM [O-]c1cc(F)cc(CN2CCN(c3ccc(OCc4cccnc4)cc3)CC2)c1 ZINC001237285780 1042123810 /nfs/dbraw/zinc/12/38/10/1042123810.db2.gz AWOSPZZDTCNBSB-UHFFFAOYSA-N -1 3 393.462 3.828 20 10 GHCDHM [O-]c1c(CN2CC[C@H]3OCC[C@@H]3C2)cc(Br)cc1C(F)(F)F ZINC001237792146 1042372699 /nfs/dbraw/zinc/37/26/99/1042372699.db2.gz PTQJURQBZUIFMR-NOZJJQNGSA-N -1 3 380.204 3.784 20 10 GHCDHM O=C1C[C@@H](c2ccccc2)C2(CCN(Cc3cc(F)cc(Cl)c3[O-])CC2)N1 ZINC001237800255 1042376725 /nfs/dbraw/zinc/37/67/25/1042376725.db2.gz MRNYTARFBBTHPE-KRWDZBQOSA-N -1 3 388.870 3.823 20 10 GHCDHM [O-]c1cc(Cl)c(F)cc1CN1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001237936604 1042427820 /nfs/dbraw/zinc/42/78/20/1042427820.db2.gz KDRVDZODOCERAT-DJJJIMSYSA-N -1 3 396.821 3.531 20 10 GHCDHM COCCOc1cccc(N2CCN(Cc3cc(F)c(Cl)cc3[O-])CC2)c1 ZINC001237940467 1042430230 /nfs/dbraw/zinc/43/02/30/1042430230.db2.gz LVILJJZTFVFTEW-UHFFFAOYSA-N -1 3 394.874 3.532 20 10 GHCDHM Cc1ccc(S(=O)(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc1C ZINC001259169588 1044989655 /nfs/dbraw/zinc/98/96/55/1044989655.db2.gz CXWJURYLOUBXSA-UHFFFAOYSA-N -1 3 376.865 3.689 20 10 GHCDHM O=S(=O)([N-]c1ccc(O)cc1Br)c1cc(Cl)c(F)cc1F ZINC001260203986 1045412327 /nfs/dbraw/zinc/41/23/27/1045412327.db2.gz YABNFMCNDKSCJK-UHFFFAOYSA-N -1 3 398.612 3.887 20 10 GHCDHM Cc1cc(CN2CC[C@H]3[C@@H]2CCN3Cc2cc(Cl)c(Cl)cc2[O-])n(C)n1 ZINC001279665691 1047906133 /nfs/dbraw/zinc/90/61/33/1047906133.db2.gz SSMLOSWARYMHTI-ROUUACIJSA-N -1 3 395.334 3.590 20 10 GHCDHM CCOC(=O)[C@@H](Cc1ccccc1Cl)NCc1cc(F)cc(C(C)=O)c1[O-] ZINC001307984615 1049739996 /nfs/dbraw/zinc/73/99/96/1049739996.db2.gz NZEGQLDYDJTSSC-GOSISDBHSA-N -1 3 393.842 3.651 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2cccc([C@H]3CNC(=O)C3)c2)c1 ZINC001308339118 1049953012 /nfs/dbraw/zinc/95/30/12/1049953012.db2.gz VWONHTDTJCPYHX-CYBMUJFWSA-N -1 3 375.266 3.679 20 10 GHCDHM CCO[C@H](C)c1nc(CN2CCN(Cc3ccc(Cl)cc3[O-])CC2)cs1 ZINC001308560306 1050008701 /nfs/dbraw/zinc/00/87/01/1050008701.db2.gz JJTGUBJDYROGTM-CQSZACIVSA-N -1 3 395.956 3.917 20 10 GHCDHM CC[C@@H]1CCN(c2nnc(-c3sc4ncccc4c3[O-])n2C[C@H]2CCOC2)C1 ZINC001348913973 1063400521 /nfs/dbraw/zinc/40/05/21/1063400521.db2.gz XSGYQHPCNTWTHY-ZIAGYGMSSA-N -1 3 399.520 3.533 20 10 GHCDHM C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NCc1c([O-])cccc1F ZINC001458024660 1063512202 /nfs/dbraw/zinc/51/22/02/1063512202.db2.gz IKHQWYQPFHDWSH-LLVKDONJSA-N -1 3 394.240 3.819 20 10 GHCDHM COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(C(C)C)cc1[O-] ZINC001466398019 1066132239 /nfs/dbraw/zinc/13/22/39/1066132239.db2.gz GQJAJWPEJXIXPX-UHFFFAOYSA-N -1 3 391.851 3.690 20 10 GHCDHM Cc1cc(C(=O)N[C@@H](C)C2CCCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233409 598868659 /nfs/dbraw/zinc/86/86/59/598868659.db2.gz JFBZKLYONBJJGY-AWEZNQCLSA-N -1 3 378.480 3.583 20 10 GHCDHM CCc1csc(NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)n1 ZINC000736700189 598243382 /nfs/dbraw/zinc/24/33/82/598243382.db2.gz RIGGJYSXXFWAPE-UHFFFAOYSA-N -1 3 393.476 3.545 20 10 GHCDHM Cc1cc(F)ccc1C=C1SC(=S)N(c2ccccc2-c2nnn[n-]2)C1=O ZINC000737263676 598288641 /nfs/dbraw/zinc/28/86/41/598288641.db2.gz NWYYXPKGWHYSBH-DHDCSXOGSA-N -1 3 397.460 3.720 20 10 GHCDHM Cc1cc(F)ccc1C=C1SC(=S)N(c2ccccc2-c2nn[n-]n2)C1=O ZINC000737263676 598288643 /nfs/dbraw/zinc/28/86/43/598288643.db2.gz NWYYXPKGWHYSBH-DHDCSXOGSA-N -1 3 397.460 3.720 20 10 GHCDHM S=C(NNc1cccc2ccccc21)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738402146 598325072 /nfs/dbraw/zinc/32/50/72/598325072.db2.gz XPDCYJZLZHLFOC-UHFFFAOYSA-N -1 3 395.879 3.987 20 10 GHCDHM S=C(NNc1cccc2ccccc21)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738402146 598325074 /nfs/dbraw/zinc/32/50/74/598325074.db2.gz XPDCYJZLZHLFOC-UHFFFAOYSA-N -1 3 395.879 3.987 20 10 GHCDHM Brc1ccc(NCc2ccc(N3CCCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000735368082 599361373 /nfs/dbraw/zinc/36/13/73/599361373.db2.gz FCPOSWSQNIBKHO-UHFFFAOYSA-N -1 3 399.296 3.842 20 10 GHCDHM Brc1ccc(NCc2ccc(N3CCCC3)cc2)c(-c2nn[n-]n2)c1 ZINC000735368082 599361376 /nfs/dbraw/zinc/36/13/76/599361376.db2.gz FCPOSWSQNIBKHO-UHFFFAOYSA-N -1 3 399.296 3.842 20 10 GHCDHM C[C@@H]1CCCC[C@H]1N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)SC1=S ZINC000820705256 606393280 /nfs/dbraw/zinc/39/32/80/606393280.db2.gz SKCMZKFNEQHKPO-ANYQKZHNSA-N -1 3 391.547 3.708 20 10 GHCDHM O=C(c1ccccc1)N1CCCN(Cc2cccc(Br)c2[O-])CC1 ZINC000179482938 835740037 /nfs/dbraw/zinc/74/00/37/835740037.db2.gz RRVYBCMQLHAHQD-UHFFFAOYSA-N -1 3 389.293 3.503 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000177096523 835864657 /nfs/dbraw/zinc/86/46/57/835864657.db2.gz DWPKDAPWYDBWAI-CYBMUJFWSA-N -1 3 382.888 3.595 20 10 GHCDHM COC(=O)CN(Cc1ccc(OC(F)F)cc1)Cc1cc(Cl)ccc1[O-] ZINC000731845413 861903320 /nfs/dbraw/zinc/90/33/20/861903320.db2.gz XJSUFFJZYDNYGC-UHFFFAOYSA-N -1 3 385.794 3.822 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]2C)c1[O-] ZINC001168603456 854673161 /nfs/dbraw/zinc/67/31/61/854673161.db2.gz GEBMKOPQDCIBLV-QWHCGFSZSA-N -1 3 380.460 3.564 20 10 GHCDHM O=C(CN1CCCCCC1)Nc1ccc(NCc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000174291627 865679895 /nfs/dbraw/zinc/67/98/95/865679895.db2.gz IWNTWXRTURLEOA-UHFFFAOYSA-N -1 3 398.463 3.727 20 10 GHCDHM O=S1(=O)CCN(Cc2c3c(ccc2[O-])oc2c3CCCC2)Cc2ccccc21 ZINC000185196884 865700858 /nfs/dbraw/zinc/70/08/58/865700858.db2.gz QGMOXWAIYDLTJC-UHFFFAOYSA-N -1 3 397.496 3.807 20 10 GHCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cc2[nH]ccc2s1 ZINC000793689022 882366703 /nfs/dbraw/zinc/36/67/03/882366703.db2.gz IJGBINUEDJEFTA-AWEZNQCLSA-N -1 3 389.908 3.983 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)c([O-])c1O ZINC000182240150 872063994 /nfs/dbraw/zinc/06/39/94/872063994.db2.gz PVUSTWSRQUDKLE-OAHLLOKOSA-N -1 3 382.460 3.982 20 10 GHCDHM O=C(NCc1ccc(F)cc1)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775650997 872344784 /nfs/dbraw/zinc/34/47/84/872344784.db2.gz JLDJCUKHBNUNIW-UHFFFAOYSA-N -1 3 394.849 3.852 20 10 GHCDHM CCOc1cc(Br)c(F)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000794201049 882623160 /nfs/dbraw/zinc/62/31/60/882623160.db2.gz QXPBNWPRWDBAFB-UHFFFAOYSA-N -1 3 384.201 3.959 20 10 GHCDHM C[C@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000768818789 873603274 /nfs/dbraw/zinc/60/32/74/873603274.db2.gz XWOOXOXOMCDIHZ-OAHLLOKOSA-N -1 3 398.894 3.974 20 10 GHCDHM O=C(c1cc2occc2s1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000769472637 874093762 /nfs/dbraw/zinc/09/37/62/874093762.db2.gz HQYHNIYPFDHCKB-UHFFFAOYSA-N -1 3 376.865 3.811 20 10 GHCDHM CCC(=O)Oc1cccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001198095540 874211676 /nfs/dbraw/zinc/21/16/76/874211676.db2.gz HGCFIRNEDASVKK-UHFFFAOYSA-N -1 3 384.819 3.839 20 10 GHCDHM [O-]c1c(F)cc(F)cc1CNCc1cnn(-c2ccc(Br)cc2)c1 ZINC001202175987 876043939 /nfs/dbraw/zinc/04/39/39/876043939.db2.gz GWGFFRZJPIDOMB-UHFFFAOYSA-N -1 3 394.219 3.908 20 10 GHCDHM COc1ccc(NCc2cc(C)cc(Br)c2[O-])cc1NC(N)=O ZINC000785561353 876108228 /nfs/dbraw/zinc/10/82/28/876108228.db2.gz UIQWOLDYQKFLGT-UHFFFAOYSA-N -1 3 380.242 3.574 20 10 GHCDHM CON(C)C(=O)c1ncc(NCc2cc(Cl)c3cccnc3c2[O-])cc1C ZINC001168525760 879325497 /nfs/dbraw/zinc/32/54/97/879325497.db2.gz JTYIPRFLPMQUSF-UHFFFAOYSA-N -1 3 386.839 3.543 20 10 GHCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(OC[C@@H]3CCCCO3)CC2)c1[O-] ZINC000093842130 912468014 /nfs/dbraw/zinc/46/80/14/912468014.db2.gz PMZBEXKCKCMFED-INIZCTEOSA-N -1 3 384.860 3.504 20 10 GHCDHM CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000790548121 879805351 /nfs/dbraw/zinc/80/53/51/879805351.db2.gz UPQGCLHHZGFYAZ-IBGZPJMESA-N -1 3 397.471 3.687 20 10 GHCDHM Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3c([O-])ccc(Cl)c3F)C2)n1 ZINC000792162166 880933818 /nfs/dbraw/zinc/93/38/18/880933818.db2.gz GTSVXQBRCIRBOJ-CYBMUJFWSA-N -1 3 377.847 3.739 20 10 GHCDHM O=C(NC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1cccc(O)c1[O-] ZINC000772790377 880977806 /nfs/dbraw/zinc/97/78/06/880977806.db2.gz DIJUETPEVKIRNK-UHFFFAOYSA-N -1 3 381.350 3.552 20 10 GHCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccc(C(F)F)o1 ZINC000860242912 884475906 /nfs/dbraw/zinc/47/59/06/884475906.db2.gz WSWHOFKLIODNFE-ZDUSSCGKSA-N -1 3 384.810 3.971 20 10 GHCDHM COc1cccc([C@@H]2CN(Cc3c([O-])cccc3Br)CCO2)c1 ZINC000862239041 886239149 /nfs/dbraw/zinc/23/91/49/886239149.db2.gz SNQRYJBVMJDONW-SFHVURJKSA-N -1 3 378.266 3.737 20 10 GHCDHM C[C@H]1CN(Cc2cccc(Br)c2[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000862485329 886406534 /nfs/dbraw/zinc/40/65/34/886406534.db2.gz KSCWDTBLVVDZFC-JSGCOSHPSA-N -1 3 384.314 3.954 20 10 GHCDHM [O-]c1cc(Br)ccc1CN1CCC(Oc2cncc(Cl)n2)CC1 ZINC000825562750 887143768 /nfs/dbraw/zinc/14/37/68/887143768.db2.gz PDNCCWKXDVFVRY-UHFFFAOYSA-N -1 3 398.688 3.642 20 10 GHCDHM COc1c([O-])c(CNCc2ccncc2OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000809689842 887666404 /nfs/dbraw/zinc/66/64/04/887666404.db2.gz WNBSGIPCKIUSQG-UHFFFAOYSA-N -1 3 395.415 3.573 20 10 GHCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1ccnc(Cl)c1Cl ZINC000811463205 889622119 /nfs/dbraw/zinc/62/21/19/889622119.db2.gz NLITWNUKIPKWBO-UHFFFAOYSA-N -1 3 389.666 3.923 20 10 GHCDHM COC(=O)c1ncnc2ccc(NCc3cc(Cl)c4cccnc4c3[O-])cc21 ZINC001168523323 892482188 /nfs/dbraw/zinc/48/21/88/892482188.db2.gz NLHBKQPYAKDYBT-UHFFFAOYSA-N -1 3 394.818 3.936 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000817763455 895894438 /nfs/dbraw/zinc/89/44/38/895894438.db2.gz ZTRMLVLEFHANKO-ZDUSSCGKSA-N -1 3 376.250 3.565 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000817763454 895894673 /nfs/dbraw/zinc/89/46/73/895894673.db2.gz ZTRMLVLEFHANKO-CYBMUJFWSA-N -1 3 376.250 3.565 20 10 GHCDHM CCN(Cc1ncc(C2OCCO2)s1)Cc1cc(Br)ccc1[O-] ZINC000289072578 914023293 /nfs/dbraw/zinc/02/32/93/914023293.db2.gz CQRIYEXDYDAXKC-UHFFFAOYSA-N -1 3 399.310 3.679 20 10 GHCDHM COc1ccc(CN[C@@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)cc1C ZINC000826202083 896215716 /nfs/dbraw/zinc/21/57/16/896215716.db2.gz NRFXPLLXSMJHCM-INIZCTEOSA-N -1 3 377.370 3.577 20 10 GHCDHM COc1ccc(CN[C@@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)cc1C ZINC000826202083 896215719 /nfs/dbraw/zinc/21/57/19/896215719.db2.gz NRFXPLLXSMJHCM-INIZCTEOSA-N -1 3 377.370 3.577 20 10 GHCDHM COc1c([O-])c(CNCc2cccnc2Oc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000774960937 914220349 /nfs/dbraw/zinc/22/03/49/914220349.db2.gz JUGCRPPDDQCSPE-UHFFFAOYSA-N -1 3 399.378 3.925 20 10 GHCDHM C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccc(Br)cc1[O-] ZINC000824549185 899680530 /nfs/dbraw/zinc/68/05/30/899680530.db2.gz YQCQCBNEMDGROC-LBPRGKRZSA-N -1 3 398.322 3.751 20 10 GHCDHM CN(Cc1nccn1CC(F)(F)F)Cc1ccc(Br)cc1[O-] ZINC000824702853 899776951 /nfs/dbraw/zinc/77/69/51/899776951.db2.gz STKLGMFGSQPBJN-UHFFFAOYSA-N -1 3 378.192 3.546 20 10 GHCDHM CCN(Cc1c(C(F)(F)F)cnn1C)Cc1cc(Br)ccc1[O-] ZINC000824913083 899875497 /nfs/dbraw/zinc/87/54/97/899875497.db2.gz HJIUCEPMVMOLOP-UHFFFAOYSA-N -1 3 392.219 3.929 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1[O-] ZINC000134635236 900096914 /nfs/dbraw/zinc/09/69/14/900096914.db2.gz KQXSPQSNHYUDRI-BLLLJJGKSA-N -1 3 380.460 3.612 20 10 GHCDHM [O-]c1cc(F)c(Br)cc1CN1CC2(CN(Cc3ccccc3)C2)C1 ZINC001144306650 901685476 /nfs/dbraw/zinc/68/54/76/901685476.db2.gz KWSAVZZECBSQPD-UHFFFAOYSA-N -1 3 391.284 3.612 20 10 GHCDHM CC(C)(C)OC(=O)Nc1ccc2c(c1)CN(C(=O)c1cccc(O)c1[O-])CC2 ZINC001148218592 904010295 /nfs/dbraw/zinc/01/02/95/904010295.db2.gz GUBPYPVVQSWITD-UHFFFAOYSA-N -1 3 384.432 3.643 20 10 GHCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC001148588058 904129341 /nfs/dbraw/zinc/12/93/41/904129341.db2.gz MQDYKTQJZJXKMJ-ZDUSSCGKSA-N -1 3 383.322 3.679 20 10 GHCDHM COc1cc(OC)cc([C@@H](N[C@H](C)c2cc(F)ccc2[O-])c2nccn2C)c1 ZINC000184960613 907687309 /nfs/dbraw/zinc/68/73/09/907687309.db2.gz DKDWFOQWNMHDKO-ZUOKHONESA-N -1 3 385.439 3.722 20 10 GHCDHM O=C(NCc1c(O)ccc2ccccc21)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001179032259 909366864 /nfs/dbraw/zinc/36/68/64/909366864.db2.gz CQVXUEWVRCWXNB-UHFFFAOYSA-N -1 3 380.350 3.595 20 10 GHCDHM CN(Cc1cc(F)cc(F)c1[O-])C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001180165843 910002866 /nfs/dbraw/zinc/00/28/66/910002866.db2.gz KGZKDMITDGJIJL-AWEZNQCLSA-N -1 3 391.336 3.561 20 10 GHCDHM COc1c([O-])c(CNc2ccc(N(C(C)=O)[C@H]3C[C@H]3C)cc2)ccc1[N+](=O)[O-] ZINC000294225486 916660960 /nfs/dbraw/zinc/66/09/60/916660960.db2.gz YZTFFFCAGICNKN-XIKOKIGWSA-N -1 3 385.420 3.682 20 10 GHCDHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1OCC ZINC000775291189 916838448 /nfs/dbraw/zinc/83/84/48/916838448.db2.gz DOQCEDIAQOHTFX-UHFFFAOYSA-N -1 3 379.478 3.916 20 10 GHCDHM CCN(Cc1cc(Br)ccc1[O-])Cc1c(Cl)ncnc1N(C)C ZINC000801518733 921091779 /nfs/dbraw/zinc/09/17/79/921091779.db2.gz RPQRMCQNMAMSBM-UHFFFAOYSA-N -1 3 399.720 3.686 20 10 GHCDHM CC[C@@H]([NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000903397476 922986450 /nfs/dbraw/zinc/98/64/50/922986450.db2.gz FIQYVEDKEGOLMT-BXUZGUMPSA-N -1 3 383.279 3.514 20 10 GHCDHM CCCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(CC)c2)cc1 ZINC000751213844 928075273 /nfs/dbraw/zinc/07/52/73/928075273.db2.gz BFNSXMLAEBUNFO-UHFFFAOYSA-N -1 3 396.534 3.592 20 10 GHCDHM O=S(=O)([N-]c1ccc(O)cc1F)c1cc(Br)ccc1Cl ZINC000758168786 929958529 /nfs/dbraw/zinc/95/85/29/929958529.db2.gz GPUAFVLLXYYVNH-UHFFFAOYSA-N -1 3 380.622 3.748 20 10 GHCDHM CC(=O)c1cc(F)cc(CN(Cc2ccccc2)C[C@@H](O)C(F)(F)F)c1[O-] ZINC000781342848 930803335 /nfs/dbraw/zinc/80/33/35/930803335.db2.gz FJULHWRBMGIISV-QGZVFWFLSA-N -1 3 385.357 3.659 20 10 GHCDHM CCOc1ccc(N2CCN(Cc3cc(=O)oc4c(C)c([O-])ccc34)CC2)cc1 ZINC001116416369 933546594 /nfs/dbraw/zinc/54/65/94/933546594.db2.gz YKJUKYLLZABKKU-UHFFFAOYSA-N -1 3 394.471 3.528 20 10 GHCDHM Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCCc3c(=O)[n-]cnc32)c1 ZINC001119435564 934348959 /nfs/dbraw/zinc/34/89/59/934348959.db2.gz SRJNLEINCYHYAC-UHFFFAOYSA-N -1 3 382.851 3.836 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC([C@@H]2CCCO2)CC1 ZINC001122035711 934805415 /nfs/dbraw/zinc/80/54/15/934805415.db2.gz JQVIYOUJODTQNO-HNNXBMFYSA-N -1 3 399.520 3.676 20 10 GHCDHM CC(C)N1CCN(c2cccc([N-]S(=O)(=O)c3cccc4ccoc43)c2)CC1 ZINC000829742316 935854679 /nfs/dbraw/zinc/85/46/79/935854679.db2.gz LHLLXVLXFVBECL-UHFFFAOYSA-N -1 3 399.516 3.764 20 10 GHCDHM CN(Cc1ccc(N2CCCC2)cc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598519540 992662193 /nfs/dbraw/zinc/66/21/93/992662193.db2.gz XNCZYRSKDZIXOD-LJQANCHMSA-N -1 3 378.394 3.962 20 10 GHCDHM C[C@@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])c1ccc(NC(=O)NC2CC2)cc1 ZINC001593195279 994146380 /nfs/dbraw/zinc/14/63/80/994146380.db2.gz CWEJJLKRBBZCHR-CHWSQXEVSA-N -1 3 383.448 3.786 20 10 GHCDHM Cc1ccc(NC(=O)NCc2c([O-])cccc2F)cc1C(=O)N1CCCCC1 ZINC001204458911 1032903139 /nfs/dbraw/zinc/90/31/39/1032903139.db2.gz SLEBVRUGTBKNAD-UHFFFAOYSA-N -1 3 385.439 3.788 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccc(F)cc2Br)c1 ZINC000756450886 1023657821 /nfs/dbraw/zinc/65/78/21/1023657821.db2.gz VAHNLXKUHJPRFR-JTQLQIEISA-N -1 3 382.229 3.931 20 10 GHCDHM [O-]c1c(F)ccc(F)c1CN1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001139682260 1026537783 /nfs/dbraw/zinc/53/77/83/1026537783.db2.gz UNYWXRUKFNXURQ-GHTZIAJQSA-N -1 3 390.430 3.516 20 10 GHCDHM O=C(Nc1ccccc1)[C@@H]1CCCN1Cc1c([O-])cccc1Br ZINC001140102411 1026882451 /nfs/dbraw/zinc/88/24/51/1026882451.db2.gz QAETTXHGQJYXBZ-INIZCTEOSA-N -1 3 375.266 3.758 20 10 GHCDHM O=c1ccc2c(n1CC1CC1)CCN(Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC001203579236 1027447627 /nfs/dbraw/zinc/44/76/27/1027447627.db2.gz OYSOAIAMMVPBQH-UHFFFAOYSA-N -1 3 393.314 3.872 20 10 GHCDHM CCOC[C@H]1CN(Cc2cc(Br)ccc2[O-])Cc2cnn(CC)c21 ZINC001203639728 1027498046 /nfs/dbraw/zinc/49/80/46/1027498046.db2.gz JBEIWYGSEZWXMI-OAHLLOKOSA-N -1 3 394.313 3.507 20 10 GHCDHM CCOC[C@H]1CN(Cc2cc(Cl)ccc2[O-])Cc2cn(CC3CC3)nc21 ZINC001203656556 1027511917 /nfs/dbraw/zinc/51/19/17/1027511917.db2.gz SKVHMNBRLNKDCB-QGZVFWFLSA-N -1 3 375.900 3.788 20 10 GHCDHM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2cc(Cl)ccc2[O-])CC1(F)F ZINC001203664025 1027516766 /nfs/dbraw/zinc/51/67/66/1027516766.db2.gz MFUMRRAXBLXYGR-AWEZNQCLSA-N -1 3 376.831 3.780 20 10 GHCDHM CCS(=O)(=O)c1cc(Cl)cc(CNCc2c([O-])ccc(Cl)c2F)c1 ZINC000840956213 1027985412 /nfs/dbraw/zinc/98/54/12/1027985412.db2.gz LCSXFTFBMHJIQM-UHFFFAOYSA-N -1 3 392.279 3.922 20 10 GHCDHM O=C1CC2(CCN(Cc3cc(F)c(F)cc3[O-])CC2)Oc2ccc(F)cc21 ZINC001142531255 1029033625 /nfs/dbraw/zinc/03/36/25/1029033625.db2.gz QGTSHVRBQSMCSQ-UHFFFAOYSA-N -1 3 377.362 3.810 20 10 GHCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccc(Cl)cc2Br)no1 ZINC001215325235 1029153413 /nfs/dbraw/zinc/15/34/13/1029153413.db2.gz HSEDKYDYVQDFNM-UHFFFAOYSA-N -1 3 383.585 3.936 20 10 GHCDHM COc1cc([C@@H](C)NC(=O)NCc2c([O-])cccc2F)ccc1OC(C)C ZINC001222185171 1029992144 /nfs/dbraw/zinc/99/21/44/1029992144.db2.gz ZNLMHSFIYXYBFR-CYBMUJFWSA-N -1 3 376.428 3.888 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ncsc1C1CC1 ZINC001150353955 1030502276 /nfs/dbraw/zinc/50/22/76/1030502276.db2.gz HNJIYGMLRIHMDF-OAHLLOKOSA-N -1 3 391.924 3.774 20 10 GHCDHM CC(C)(C)OC(=O)c1ccnc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001157726740 1033741573 /nfs/dbraw/zinc/74/15/73/1033741573.db2.gz WSLJYWKROWSWNG-UHFFFAOYSA-N -1 3 386.839 3.951 20 10 GHCDHM O=C([O-])c1ccc(C[N@H+]2C[C@H]3c4ccccc4[C@H](OCC4CC4)[C@H]3C2)c([O-])c1 ZINC001231450268 1034596917 /nfs/dbraw/zinc/59/69/17/1034596917.db2.gz CNWKPYQQAUTJFM-ONTIZHBOSA-N -1 3 379.456 3.787 20 10 GHCDHM O=C([O-])c1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@H](OCC4CC4)[C@H]3C2)c([O-])c1 ZINC001231450268 1034596930 /nfs/dbraw/zinc/59/69/30/1034596930.db2.gz CNWKPYQQAUTJFM-ONTIZHBOSA-N -1 3 379.456 3.787 20 10 GHCDHM COc1ccc(N2CCN(Cc3ccc([O-])c(C(F)(F)F)c3)CC2)c(OC)c1 ZINC001231525943 1034678997 /nfs/dbraw/zinc/67/89/97/1034678997.db2.gz JBYOXCHMIAHVJW-UHFFFAOYSA-N -1 3 396.409 3.750 20 10 GHCDHM NC(=O)c1cc(Cl)ncc1C(F)(F)NCc1cc2ccccc2cc1[O-] ZINC001160207333 1034901825 /nfs/dbraw/zinc/90/18/25/1034901825.db2.gz XWWHGVQVTKHZJN-UHFFFAOYSA-N -1 3 377.778 3.532 20 10 GHCDHM Cc1cc([O-])c(CN2Cc3c(cnn3C)[C@@H](COc3cccnc3)C2)cc1Cl ZINC001231867030 1034954267 /nfs/dbraw/zinc/95/42/67/1034954267.db2.gz KDPCWHKIEFKUFJ-MRXNPFEDSA-N -1 3 398.894 3.661 20 10 GHCDHM Cc1cc([O-])c(CN2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)cc1Cl ZINC001231869834 1034956641 /nfs/dbraw/zinc/95/66/41/1034956641.db2.gz XDITXVSHCFBXHF-QKYXUNIQSA-N -1 3 388.895 3.807 20 10 GHCDHM [O-]c1c(Cl)cccc1CN1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC001231913175 1034987695 /nfs/dbraw/zinc/98/76/95/1034987695.db2.gz GVHQNTPIUBSDLY-UHFFFAOYSA-N -1 3 380.879 3.825 20 10 GHCDHM COc1ccc(CN2CCC[C@H](C)[C@@H]2C)c([O-])c1I ZINC001248489002 1035911337 /nfs/dbraw/zinc/91/13/37/1035911337.db2.gz CDUFXGXXDQANPW-QWRGUYRKSA-N -1 3 375.250 3.626 20 10 GHCDHM CCn1nnc2c1[C@H](COC)CN(Cc1cc(Cl)c(C(C)(C)C)cc1[O-])C2 ZINC001248882825 1036222506 /nfs/dbraw/zinc/22/25/06/1036222506.db2.gz OGXHEENWQLWZPV-AWEZNQCLSA-N -1 3 392.931 3.700 20 10 GHCDHM [O-]c1cc(O)c(CN2CCO[C@]3(CCCN(c4ccccc4)C3)C2)cc1Cl ZINC001232259786 1037981124 /nfs/dbraw/zinc/98/11/24/1037981124.db2.gz JMFIBIKSFJCAGZ-OAQYLSRUSA-N -1 3 388.895 3.623 20 10 GHCDHM O=C(OCc1ccccc1)[C@@H]1CCCCN1Cc1cc(Cl)c([O-])cc1O ZINC001232259549 1037981437 /nfs/dbraw/zinc/98/14/37/1037981437.db2.gz KUZNJEWEBHDWCR-KRWDZBQOSA-N -1 3 375.852 3.849 20 10 GHCDHM CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(Cl)c([O-])cc1O ZINC001232263622 1037984200 /nfs/dbraw/zinc/98/42/00/1037984200.db2.gz TZNBSQUUYQHQGK-CQSZACIVSA-N -1 3 384.904 3.973 20 10 GHCDHM CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](NCc2ccc(Cl)cc2[O-])C1 ZINC001462244885 1070116032 /nfs/dbraw/zinc/11/60/32/1070116032.db2.gz DVNIVILQXLKCGW-AWEZNQCLSA-N -1 3 376.831 3.780 20 10 GHCDHM O=C([C@H]1CCCN(Cc2c([O-])cc(Br)cc2F)C1)N1CCCCC1 ZINC001233030713 1038782448 /nfs/dbraw/zinc/78/24/48/1038782448.db2.gz LAURWSCCQQEHJU-ZDUSSCGKSA-N -1 3 399.304 3.518 20 10 GHCDHM COc1cc([O-])c(CN2CCN(c3ccc(C)cc3)CC2)cc1Br ZINC001233135125 1038916376 /nfs/dbraw/zinc/91/63/76/1038916376.db2.gz MBWHJSBXEQYCFF-UHFFFAOYSA-N -1 3 391.309 3.794 20 10 GHCDHM COc1cc([O-])c(CN2CCC(C(=O)C(F)(F)F)CC2)cc1Br ZINC001233140921 1038919294 /nfs/dbraw/zinc/91/92/94/1038919294.db2.gz YDHRQIYCNKFKQA-UHFFFAOYSA-N -1 3 396.203 3.507 20 10 GHCDHM Cc1cccc(NC(=O)NC2CCN(Cc3c([O-])ccc(F)c3F)CC2)c1 ZINC001233336337 1039137099 /nfs/dbraw/zinc/13/70/99/1039137099.db2.gz IMVXKRYMQICJEH-UHFFFAOYSA-N -1 3 375.419 3.765 20 10 GHCDHM [O-]c1c(CN2CCC(Oc3cc(Cl)ncn3)CC2)cccc1C(F)(F)F ZINC001233417942 1039276785 /nfs/dbraw/zinc/27/67/85/1039276785.db2.gz NLGOASGYOUNXOT-UHFFFAOYSA-N -1 3 387.789 3.898 20 10 GHCDHM COc1ccc2ccc([O-])c(CN3CCNC(=O)[C@@H]3c3ccc(Cl)cc3)c2c1 ZINC001234568863 1040135225 /nfs/dbraw/zinc/13/52/25/1040135225.db2.gz GBZWJIBRKMHITO-NRFANRHFSA-N -1 3 396.874 3.881 20 10 GHCDHM C[C@@H](COc1ccccc1)Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234746555 1040272452 /nfs/dbraw/zinc/27/24/52/1040272452.db2.gz AJELWRFLDUEVMK-LBPRGKRZSA-N -1 3 394.379 3.909 20 10 GHCDHM O=c1c2cc(O)c(O)cc2oc2cc([O-])cc(O[C@@H]3COCc4ccccc43)c12 ZINC001234748280 1040275075 /nfs/dbraw/zinc/27/50/75/1040275075.db2.gz IDOSCCMHMWFQTD-HXUWFJFHSA-N -1 3 392.363 3.713 20 10 GHCDHM CCOC(=O)C[C@@H]1CCN(Cc2cc(F)cc(Br)c2[O-])C[C@@H]1C ZINC001235307105 1040780771 /nfs/dbraw/zinc/78/07/71/1040780771.db2.gz KWGYTFLZLPMWLN-RYUDHWBXSA-N -1 3 388.277 3.705 20 10 GHCDHM COc1cc([O-])c(CN2CCC[C@@H]3[C@H]2CN3C(=O)OC(C)(C)C)c(Cl)c1 ZINC001236794900 1041898996 /nfs/dbraw/zinc/89/89/96/1041898996.db2.gz FNOPEGYRVGOPAB-HZPDHXFCSA-N -1 3 382.888 3.638 20 10 GHCDHM CCOc1ccccc1N1CCN(Cc2c([O-])cc(OC)cc2Cl)CC1 ZINC001236797115 1041901639 /nfs/dbraw/zinc/90/16/39/1041901639.db2.gz BSFVKORQPLHDBT-UHFFFAOYSA-N -1 3 376.884 3.775 20 10 GHCDHM [O-]c1cc2ccccc2cc1CN1CCOC[C@H]1c1nccc(N2CCCC2)n1 ZINC001236828619 1041919808 /nfs/dbraw/zinc/91/98/08/1041919808.db2.gz BKXDOZFRZKQCKN-FQEVSTJZSA-N -1 3 390.487 3.509 20 10 GHCDHM CC(C)n1nc(CN(C)C)c2c1CN(Cc1c([O-])ccc(F)c1Cl)CC2 ZINC001237123139 1042051146 /nfs/dbraw/zinc/05/11/46/1042051146.db2.gz HUIVKWIRBIDUHI-UHFFFAOYSA-N -1 3 380.895 3.582 20 10 GHCDHM O=C(c1cccc(F)c1)N1CC[C@H]2CN(Cc3cc(Cl)cc(F)c3[O-])C[C@H]21 ZINC001237620644 1042287895 /nfs/dbraw/zinc/28/78/95/1042287895.db2.gz VZSBGASPDVNATN-SCLBCKFNSA-N -1 3 392.833 3.670 20 10 GHCDHM CCOC(=O)c1coc(C2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)n1 ZINC001237623159 1042289645 /nfs/dbraw/zinc/28/96/45/1042289645.db2.gz IZJYBSWQNNEADR-UHFFFAOYSA-N -1 3 382.819 3.729 20 10 GHCDHM Cc1cc([O-])c(CN(Cc2cocn2)Cc2cocn2)cc1Br ZINC001237683454 1042323530 /nfs/dbraw/zinc/32/35/30/1042323530.db2.gz ZVHAUOQRHGHWJJ-UHFFFAOYSA-N -1 3 378.226 3.642 20 10 GHCDHM Cc1cc([O-])c(CN2CCO[C@H](COc3ccccc3)C2)cc1Br ZINC001237683426 1042324245 /nfs/dbraw/zinc/32/42/45/1042324245.db2.gz ZQMSLBROSYQWEV-KRWDZBQOSA-N -1 3 392.293 3.743 20 10 GHCDHM [O-]c1c(CN2CC[C@H]3OCC[C@H]3C2)cc(Br)cc1C(F)(F)F ZINC001237792151 1042372354 /nfs/dbraw/zinc/37/23/54/1042372354.db2.gz PTQJURQBZUIFMR-TVQRCGJNSA-N -1 3 380.204 3.784 20 10 GHCDHM [O-]c1c(Cl)cc(F)cc1CN1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001237800952 1042376684 /nfs/dbraw/zinc/37/66/84/1042376684.db2.gz PXFJMULOIHKFMP-BHIYHBOVSA-N -1 3 392.858 3.781 20 10 GHCDHM CC(C)N(C)Cc1cnc2n1CCN(Cc1cc(F)cc(Cl)c1[O-])[C@@H]2C ZINC001237801055 1042377345 /nfs/dbraw/zinc/37/73/45/1042377345.db2.gz QUULGXPDUZJJIM-CYBMUJFWSA-N -1 3 380.895 3.798 20 10 GHCDHM O=C1Nc2c(cccc2F)C12CCN(Cc1cc(F)cc(Cl)c1[O-])CC2 ZINC001237814009 1042382290 /nfs/dbraw/zinc/38/22/90/1042382290.db2.gz OMHGUSIXLKAJBD-UHFFFAOYSA-N -1 3 378.806 3.810 20 10 GHCDHM CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)N2Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001279940802 1047995804 /nfs/dbraw/zinc/99/58/04/1047995804.db2.gz MQBINFCUALCHBT-GASCZTMLSA-N -1 3 379.932 3.720 20 10 GHCDHM CCc1cccc(CN2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)c1O ZINC001308825797 1050109617 /nfs/dbraw/zinc/10/96/17/1050109617.db2.gz OOAJZFJHYJKVDC-MRXNPFEDSA-N -1 3 378.394 3.564 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC(C)(COC)CC1 ZINC001343558660 1053879302 /nfs/dbraw/zinc/87/93/02/1053879302.db2.gz WLYXTCLFPXKDDM-UHFFFAOYSA-N -1 3 387.509 3.533 20 10 GHCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001340096077 1059693539 /nfs/dbraw/zinc/69/35/39/1059693539.db2.gz WDKBPIGFEXBERU-SECBINFHSA-N -1 3 383.399 3.576 20 10 GHCDHM Cc1cc(Cn2c(-c3sc4ncccc4c3[O-])nnc2N2CCCCC2)no1 ZINC001346867958 1061946792 /nfs/dbraw/zinc/94/67/92/1061946792.db2.gz FYJUERFWBLISSQ-UHFFFAOYSA-N -1 3 396.476 3.595 20 10 GHCDHM C[C@H](NC(=O)NCc1c([O-])cccc1F)c1nc2ccccc2n1C(F)F ZINC001467869263 1067507800 /nfs/dbraw/zinc/50/78/00/1067507800.db2.gz YGVGTHWGYOQFRF-JTQLQIEISA-N -1 3 378.354 3.837 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN(C)C[C@@H]2CCN2C(=O)OC(C)(C)C)c1[O-] ZINC001460846514 1069215241 /nfs/dbraw/zinc/21/52/41/1069215241.db2.gz OZQVVFCLHDOFKQ-HNNXBMFYSA-N -1 3 382.888 3.689 20 10 GHCDHM COc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1C(=O)c1ccccc1 ZINC001471442551 1073076686 /nfs/dbraw/zinc/07/66/86/1073076686.db2.gz GDLRXNDSRSURKI-UHFFFAOYSA-N -1 3 377.396 3.898 20 10 GHCDHM Cc1sc2nc(C)nc(SCC(=O)NCc3c([O-])cccc3F)c2c1C ZINC001471975161 1073288514 /nfs/dbraw/zinc/28/85/14/1073288514.db2.gz RHHDQWAVMBLWHA-UHFFFAOYSA-N -1 3 391.493 3.870 20 10 GHCDHM Cc1ccc(F)c(C=C2SC(=S)N(c3ccccc3-c3nnn[n-]3)C2=O)c1 ZINC000737344848 599215386 /nfs/dbraw/zinc/21/53/86/599215386.db2.gz LCLIOXYTFBJWDO-DHDCSXOGSA-N -1 3 397.460 3.720 20 10 GHCDHM Cc1ccc(F)c(C=C2SC(=S)N(c3ccccc3-c3nn[n-]n3)C2=O)c1 ZINC000737344848 599215389 /nfs/dbraw/zinc/21/53/89/599215389.db2.gz LCLIOXYTFBJWDO-DHDCSXOGSA-N -1 3 397.460 3.720 20 10 GHCDHM S=C(NNc1cccc2c1CCCC2)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738400240 598321554 /nfs/dbraw/zinc/32/15/54/598321554.db2.gz BSMQFGGQQNYDBU-UHFFFAOYSA-N -1 3 399.911 3.712 20 10 GHCDHM S=C(NNc1cccc2c1CCCC2)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738400240 598321555 /nfs/dbraw/zinc/32/15/55/598321555.db2.gz BSMQFGGQQNYDBU-UHFFFAOYSA-N -1 3 399.911 3.712 20 10 GHCDHM CCCN(CC1CC1)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736471989 598610028 /nfs/dbraw/zinc/61/00/28/598610028.db2.gz RDPPXABUZNIIRQ-UHFFFAOYSA-N -1 3 378.480 3.536 20 10 GHCDHM Cc1cc(C(=O)N2CCC[C@H](C)CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235136 598612086 /nfs/dbraw/zinc/61/20/86/598612086.db2.gz SGYKEADWAQNLNG-AWEZNQCLSA-N -1 3 378.480 3.536 20 10 GHCDHM Cc1ccc(N2C(=O)C(=Cc3ccc(F)c(-c4nnn[n-]4)c3)SC2=S)cc1 ZINC000826289572 608873725 /nfs/dbraw/zinc/87/37/25/608873725.db2.gz FYCBRTLFHRCUMB-OQLLNIDSSA-N -1 3 397.460 3.720 20 10 GHCDHM Cc1ccc(N2C(=O)C(=Cc3ccc(F)c(-c4nn[n-]n4)c3)SC2=S)cc1 ZINC000826289572 608873727 /nfs/dbraw/zinc/87/37/27/608873727.db2.gz FYCBRTLFHRCUMB-OQLLNIDSSA-N -1 3 397.460 3.720 20 10 GHCDHM O=C(C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1)N1CCCCC1 ZINC000893902708 844234715 /nfs/dbraw/zinc/23/47/15/844234715.db2.gz MJRQXJSDJOEDLR-UHFFFAOYSA-N -1 3 399.304 3.518 20 10 GHCDHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(N3CCCCC3)cc2)cc1OC ZINC000277154778 844876396 /nfs/dbraw/zinc/87/63/96/844876396.db2.gz CXDVLRNMQNKZQG-HXUWFJFHSA-N -1 3 398.503 4.000 20 10 GHCDHM C[C@H]([NH2+]C[C@@]([O-])(c1nccn1C)C(F)(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000278158595 849428456 /nfs/dbraw/zinc/42/84/56/849428456.db2.gz AUMIWKFENXKNJZ-RMLUDKJBSA-N -1 3 398.212 3.533 20 10 GHCDHM Cc1noc(C2(C)CCN(Cc3cc(Br)cc(F)c3[O-])CC2)n1 ZINC000894434045 851309820 /nfs/dbraw/zinc/30/98/20/851309820.db2.gz LJMIYRTUUWYLDG-UHFFFAOYSA-N -1 3 384.249 3.539 20 10 GHCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1cccc(NC(=O)c2ccccc2)c1 ZINC000186932781 862308905 /nfs/dbraw/zinc/30/89/05/862308905.db2.gz ISJTUQQILUHSKL-CQSZACIVSA-N -1 3 376.412 3.841 20 10 GHCDHM [O-]c1c(CNc2ncnc3cc4c(cc32)OCO4)cc(Cl)c2cccnc12 ZINC001168527888 865793241 /nfs/dbraw/zinc/79/32/41/865793241.db2.gz ODYIMLNEDPOQFR-UHFFFAOYSA-N -1 3 380.791 3.878 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccc(OC(F)(F)F)cn1 ZINC001192854396 870734670 /nfs/dbraw/zinc/73/46/70/870734670.db2.gz OBVLHONEFOBFAP-UHFFFAOYSA-N -1 3 397.740 3.817 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cc(F)ccc1F ZINC000768913204 873681520 /nfs/dbraw/zinc/68/15/20/873681520.db2.gz WNKMILIPCURTGS-OAHLLOKOSA-N -1 3 380.822 3.718 20 10 GHCDHM O=C(c1ccc(Cl)cc1F)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000769313488 873959132 /nfs/dbraw/zinc/95/91/32/873959132.db2.gz OIRNLIIIVDLDPK-UHFFFAOYSA-N -1 3 383.250 3.796 20 10 GHCDHM CCC(CC)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccs1 ZINC000769715752 874248179 /nfs/dbraw/zinc/24/81/79/874248179.db2.gz DLCSENNMECLSBA-QGZVFWFLSA-N -1 3 396.534 3.733 20 10 GHCDHM C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)NCc2c([O-])cccc2F)cc1 ZINC001198545836 874494947 /nfs/dbraw/zinc/49/49/47/874494947.db2.gz WLOZOEVQRBGRBY-AWEZNQCLSA-N -1 3 385.439 3.868 20 10 GHCDHM CC(C)(C)c1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)no1 ZINC000771053068 875012933 /nfs/dbraw/zinc/01/29/33/875012933.db2.gz KHBHARXBYCHKSW-OAHLLOKOSA-N -1 3 391.899 3.726 20 10 GHCDHM COc1cc(CNC(=O)c2cccc(O)c2[O-])ccc1OCc1ccccc1 ZINC000776328247 876276216 /nfs/dbraw/zinc/27/62/16/876276216.db2.gz QSUJYCNZTXKGHA-UHFFFAOYSA-N -1 3 379.412 3.615 20 10 GHCDHM CCO[C@@H](C)c1nc(CN2CCN(Cc3cc(Cl)ccc3[O-])CC2)cs1 ZINC000093737021 912407877 /nfs/dbraw/zinc/40/78/77/912407877.db2.gz ZTRDSWRPHMGFOK-AWEZNQCLSA-N -1 3 395.956 3.917 20 10 GHCDHM Cc1oc2c(ccc([O-])c2CN2C[C@H]3COC[C@]3(C)C2)c(=O)c1-c1ccccc1 ZINC000853567729 879123556 /nfs/dbraw/zinc/12/35/56/879123556.db2.gz XAECQUVZLNFUMQ-XDHUDOTRSA-N -1 3 391.467 3.942 20 10 GHCDHM CCOc1ccc(Oc2cc(CNC(=O)c3cccc(O)c3[O-])ccn2)cc1 ZINC000790555177 879810417 /nfs/dbraw/zinc/81/04/17/879810417.db2.gz LPSSDDKMEGLZAR-UHFFFAOYSA-N -1 3 380.400 3.614 20 10 GHCDHM O=C(Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1)c1cccc(O)c1[O-] ZINC000790910989 880085966 /nfs/dbraw/zinc/08/59/66/880085966.db2.gz BJJZQAVSQGJZGB-UHFFFAOYSA-N -1 3 387.264 3.881 20 10 GHCDHM O=C(NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1cccc(O)c1[O-] ZINC000790938763 880115384 /nfs/dbraw/zinc/11/53/84/880115384.db2.gz MVAIDYFQNKKBHG-CQSZACIVSA-N -1 3 380.469 3.757 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCN(c3nccc4sccc43)CC2)c1[O-] ZINC000808779495 886766235 /nfs/dbraw/zinc/76/62/35/886766235.db2.gz GUIPOSYIUUQNBW-UHFFFAOYSA-N -1 3 385.464 3.666 20 10 GHCDHM CN(C)c1cc(F)c(CN[C@@H](CSCCc2ccccc2)C(=O)[O-])cc1F ZINC000864510367 887817104 /nfs/dbraw/zinc/81/71/04/887817104.db2.gz VNIQFZAIDBKYIV-SFHVURJKSA-N -1 3 394.487 3.550 20 10 GHCDHM CC(C)OCc1cc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)ccc1O ZINC000811703631 889876481 /nfs/dbraw/zinc/87/64/81/889876481.db2.gz XXPVEZPXICVCCW-UHFFFAOYSA-N -1 3 379.478 3.905 20 10 GHCDHM O=C1Cc2c(cc(Cl)nc2NCc2cc(Cl)c3cccnc3c2[O-])N1 ZINC001168521943 890276439 /nfs/dbraw/zinc/27/64/39/890276439.db2.gz LYANZEWAWPRUIV-UHFFFAOYSA-N -1 3 375.215 3.749 20 10 GHCDHM COc1c([O-])c(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000774864573 913847908 /nfs/dbraw/zinc/84/79/08/913847908.db2.gz RMYRNCRFYIAQIS-QGZVFWFLSA-N -1 3 390.411 3.629 20 10 GHCDHM COc1ccc(N2CC[C@@H](CNC(=O)c3cc([O-])c4ccccc4c3)C2)cc1 ZINC000819588460 896837967 /nfs/dbraw/zinc/83/79/67/896837967.db2.gz MOCOZWHHLWJGQR-INIZCTEOSA-N -1 3 376.456 3.810 20 10 GHCDHM CCc1ccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c([O-])c1 ZINC001136311680 897218723 /nfs/dbraw/zinc/21/87/23/897218723.db2.gz ZBXWAHRLQOFGBH-HUUCEWRRSA-N -1 3 386.467 3.637 20 10 GHCDHM Cc1cc([O-])c(CN[C@@H](Cc2ccncc2)C(=O)OC(C)(C)C)cc1Cl ZINC000826538684 901493618 /nfs/dbraw/zinc/49/36/18/901493618.db2.gz IFPVPNYKGSDUIL-KRWDZBQOSA-N -1 3 376.884 3.792 20 10 GHCDHM CC[C@@H]1N(Cc2cc(Br)c(F)cc2[O-])CCC[C@]12CCC(=O)N2C ZINC001144301508 901674670 /nfs/dbraw/zinc/67/46/70/901674670.db2.gz QFSNGVHGPVRXRO-WMZOPIPTSA-N -1 3 399.304 3.659 20 10 GHCDHM CCc1noc(C2CCN(Cc3cc(Br)c(F)cc3[O-])CC2)n1 ZINC001144306519 901685988 /nfs/dbraw/zinc/68/59/88/901685988.db2.gz FIZYNPNNMPGLKB-UHFFFAOYSA-N -1 3 384.249 3.619 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H](O)c1cccc(Cl)c1 ZINC001144825561 902989911 /nfs/dbraw/zinc/98/99/11/902989911.db2.gz DPCFCWBSHAIEOM-KRWDZBQOSA-N -1 3 377.227 3.597 20 10 GHCDHM O=c1cnc(NCc2cc3ccccc3cc2[O-])cn1Cc1cccc(F)c1 ZINC001171406977 904517862 /nfs/dbraw/zinc/51/78/62/904517862.db2.gz IEHHBYCERSWLAA-UHFFFAOYSA-N -1 3 375.403 3.902 20 10 GHCDHM Cc1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)c([O-])c1O ZINC000779284223 906016170 /nfs/dbraw/zinc/01/61/70/906016170.db2.gz ZHCZZXYNLPSVQT-LBPRGKRZSA-N -1 3 377.824 3.727 20 10 GHCDHM COc1cc(OC)cc([C@H](N[C@@H](C)c2cc(F)ccc2[O-])c2nccn2C)c1 ZINC000184960566 907687859 /nfs/dbraw/zinc/68/78/59/907687859.db2.gz DKDWFOQWNMHDKO-RBZFPXEDSA-N -1 3 385.439 3.722 20 10 GHCDHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1)c1ccc(F)cc1 ZINC000194019185 908839365 /nfs/dbraw/zinc/83/93/65/908839365.db2.gz VFRPVQBSQBYTOA-UHFFFAOYSA-N -1 3 386.404 3.584 20 10 GHCDHM COc1c(F)cc(CC(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc1F ZINC001181651251 910904790 /nfs/dbraw/zinc/90/47/90/910904790.db2.gz MMEJMHURDBMQBY-UHFFFAOYSA-N -1 3 392.789 3.740 20 10 GHCDHM COc1cccc([C@@H]2CN(Cc3cc(Br)ccc3[O-])CCO2)c1 ZINC000093079460 912049102 /nfs/dbraw/zinc/04/91/02/912049102.db2.gz ROQVJEAOPSQOJE-SFHVURJKSA-N -1 3 378.266 3.737 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H](O)CCCc1ccccc1 ZINC001187055769 914989882 /nfs/dbraw/zinc/98/98/82/914989882.db2.gz FWHQBUIXFRIPMN-GOSISDBHSA-N -1 3 384.863 3.594 20 10 GHCDHM COc1cc(/C=C2/SC(=S)N(C3CC3)C2=O)cc(Br)c1[O-] ZINC000292996896 915941465 /nfs/dbraw/zinc/94/14/65/915941465.db2.gz NLHVYJIOCLPOSI-IZZDOVSWSA-N -1 3 386.292 3.527 20 10 GHCDHM Cn1c(CNCc2cccc(Br)c2[O-])nc2cccc(Cl)c21 ZINC000775320666 916912028 /nfs/dbraw/zinc/91/20/28/916912028.db2.gz GMQVAFWEODBSMZ-UHFFFAOYSA-N -1 3 380.673 3.985 20 10 GHCDHM Cc1ccc([C@@H](NCc2cc(Cl)c(F)cc2[O-])[C@H](C)S(C)(=O)=O)cc1 ZINC000294720778 916946532 /nfs/dbraw/zinc/94/65/32/916946532.db2.gz PJERKQCAUCWFEM-SGTLLEGYSA-N -1 3 385.888 3.757 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)c1 ZINC000726796956 926857642 /nfs/dbraw/zinc/85/76/42/926857642.db2.gz LDIUMPQZJVHWSW-NRFANRHFSA-N -1 3 388.423 3.946 20 10 GHCDHM Cc1cc(C)c2c(N)c(C(=O)OCc3noc(-c4ccccc4[O-])n3)sc2n1 ZINC000782480721 931236972 /nfs/dbraw/zinc/23/69/72/931236972.db2.gz BRBMSPJMDCWRBG-UHFFFAOYSA-N -1 3 396.428 3.608 20 10 GHCDHM [O-]c1c(F)ccc(F)c1CN1CCCN(c2ncccc2C(F)(F)F)CC1 ZINC001139684507 933209684 /nfs/dbraw/zinc/20/96/84/933209684.db2.gz XMABRQNMCHYFKJ-UHFFFAOYSA-N -1 3 387.352 3.797 20 10 GHCDHM CCOC(=O)c1ncc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)[n-]1 ZINC001118952711 934290607 /nfs/dbraw/zinc/29/06/07/934290607.db2.gz ZFJCKHJETQVTAC-UHFFFAOYSA-N -1 3 386.839 3.900 20 10 GHCDHM CCOC(=O)c1nc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)c[n-]1 ZINC001118952711 934290617 /nfs/dbraw/zinc/29/06/17/934290617.db2.gz ZFJCKHJETQVTAC-UHFFFAOYSA-N -1 3 386.839 3.900 20 10 GHCDHM CC1CCN(c2nnc(-c3sc4ncccc4c3[O-])n2C[C@@H]2CCOC2)CC1 ZINC001123130886 935086430 /nfs/dbraw/zinc/08/64/30/935086430.db2.gz QQTPNDCTGXEQIP-AWEZNQCLSA-N -1 3 399.520 3.533 20 10 GHCDHM CCN1CCN(c2ccc(N[C@@H](C)c3cc(C(=O)[O-])ccc3O)c(C)c2)CC1 ZINC001596442031 984132482 /nfs/dbraw/zinc/13/24/82/984132482.db2.gz JFJQQLOPZASJPX-INIZCTEOSA-N -1 3 383.492 3.714 20 10 GHCDHM C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593248176 994470001 /nfs/dbraw/zinc/47/00/01/994470001.db2.gz SWVBTEQEMFZMGO-CHWSQXEVSA-N -1 3 397.393 3.611 20 10 GHCDHM C[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cc(C(=O)[O-])ccc1O ZINC001593292989 994681051 /nfs/dbraw/zinc/68/10/51/994681051.db2.gz RBSLDKVOYHBYAP-VIFPVBQESA-N -1 3 384.310 3.868 20 10 GHCDHM COc1cc(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)c(O)c(C(C)(C)C)c1 ZINC001599414816 997486592 /nfs/dbraw/zinc/48/65/92/997486592.db2.gz VLABQMHJPBYICF-KRWDZBQOSA-N -1 3 379.403 3.892 20 10 GHCDHM COc1ccc([C@@H](NCc2ccc(N3CCCCC3)c(C)c2)C(=O)[O-])cc1O ZINC001599532848 997688203 /nfs/dbraw/zinc/68/82/03/997688203.db2.gz UOIBYPTVRBPCQZ-OAQYLSRUSA-N -1 3 384.476 3.615 20 10 GHCDHM O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NCc1c([O-])cccc1F ZINC001156164264 1032908863 /nfs/dbraw/zinc/90/88/63/1032908863.db2.gz UJTCYELXIKCIIQ-UHFFFAOYSA-N -1 3 389.814 3.874 20 10 GHCDHM [O-]c1cccc(Cl)c1CN1CCCn2cnc(COc3cccnc3)c2C1 ZINC001140340475 1021448830 /nfs/dbraw/zinc/44/88/30/1021448830.db2.gz XKUSTGOHRBKWDL-UHFFFAOYSA-N -1 3 384.867 3.622 20 10 GHCDHM O=C(c1ccsc1)N1CCC[C@]2(CCN(Cc3c([O-])cc(F)cc3F)C2)C1 ZINC001140581444 1022001864 /nfs/dbraw/zinc/00/18/64/1022001864.db2.gz SGNFEJRSTPIWQC-HXUWFJFHSA-N -1 3 392.471 3.860 20 10 GHCDHM COCCOc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cc1C ZINC000755981250 1023463616 /nfs/dbraw/zinc/46/36/16/1023463616.db2.gz AJCJMRWSFBCADI-UHFFFAOYSA-N -1 3 393.505 3.958 20 10 GHCDHM Cc1ccc(C)c(N2CCN(Cc3c([O-])ccc4c(C)cc(=O)oc43)CC2)c1 ZINC001139126869 1025939116 /nfs/dbraw/zinc/93/91/16/1025939116.db2.gz SOZAVWXGNBUENY-UHFFFAOYSA-N -1 3 378.472 3.746 20 10 GHCDHM CCOC[C@@H]1CN(Cc2c([O-])cccc2Br)Cc2cn(CC)nc21 ZINC001140099329 1026875893 /nfs/dbraw/zinc/87/58/93/1026875893.db2.gz BWZQNMKOHMSYEB-AWEZNQCLSA-N -1 3 394.313 3.507 20 10 GHCDHM CC(C)(C)OC(=O)N1CCCC12CN(Cc1c([O-])cccc1Br)C2 ZINC001140100429 1026877776 /nfs/dbraw/zinc/87/77/76/1026877776.db2.gz OVZNWMAQZULLBV-UHFFFAOYSA-N -1 3 397.313 3.740 20 10 GHCDHM [O-]c1cccc(Br)c1CN1CCN(c2ncccc2Cl)CC1 ZINC001140101070 1026879603 /nfs/dbraw/zinc/87/96/03/1026879603.db2.gz IVBKUXWSSXNOKG-UHFFFAOYSA-N -1 3 382.689 3.525 20 10 GHCDHM CN(C)C(=O)N1CCCC12CCN(Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC001203580787 1027448557 /nfs/dbraw/zinc/44/85/57/1027448557.db2.gz XRTVOEJDHIMGOV-UHFFFAOYSA-N -1 3 386.323 3.811 20 10 GHCDHM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cc(Br)ccc2[O-])CC12CC2 ZINC001203635894 1027494667 /nfs/dbraw/zinc/49/46/67/1027494667.db2.gz KBLMREUQVXMFBI-OAHLLOKOSA-N -1 3 397.313 3.644 20 10 GHCDHM [O-]c1ccc(Cl)cc1CN1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001203656130 1027511934 /nfs/dbraw/zinc/51/19/34/1027511934.db2.gz JACGIULOAQDPBI-LAUBAEHRSA-N -1 3 388.895 3.891 20 10 GHCDHM CCS(=O)(=O)c1cc(Cl)cc(CN[C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000840842450 1027874958 /nfs/dbraw/zinc/87/49/58/1027874958.db2.gz UEROARRMDUQPNQ-JTQLQIEISA-N -1 3 389.851 3.968 20 10 GHCDHM COc1c([O-])c(CN2CC3(CCOCC3)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000840963456 1027997415 /nfs/dbraw/zinc/99/74/15/1027997415.db2.gz NPWYLVTVTGBKRY-FQEVSTJZSA-N -1 3 384.432 3.663 20 10 GHCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001142512730 1029015039 /nfs/dbraw/zinc/01/50/39/1029015039.db2.gz JKCNYLHEYMJLCY-CTNGQTDRSA-N -1 3 390.430 3.516 20 10 GHCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cc(Br)cc(F)c2F)no1 ZINC001215325389 1029153288 /nfs/dbraw/zinc/15/32/88/1029153288.db2.gz QFSHNSQKPLOXSS-UHFFFAOYSA-N -1 3 385.120 3.561 20 10 GHCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cc(Cl)ccc2Br)no1 ZINC001215325326 1029153487 /nfs/dbraw/zinc/15/34/87/1029153487.db2.gz MIIMOKFEIOMVJL-UHFFFAOYSA-N -1 3 383.585 3.936 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2cc(S(C)(=O)=O)ccc2C)c1 ZINC000842212413 1029154264 /nfs/dbraw/zinc/15/42/64/1029154264.db2.gz AMHFQHPTIPWBCM-UHFFFAOYSA-N -1 3 384.295 3.787 20 10 GHCDHM Cc1noc2nc(C)cc(C(=O)NCc3cc(Cl)c4cccnc4c3[O-])c12 ZINC001151050786 1030758922 /nfs/dbraw/zinc/75/89/22/1030758922.db2.gz MSKFALIBLPWFFU-UHFFFAOYSA-N -1 3 382.807 3.677 20 10 GHCDHM O=C1c2cccc([O-])c2C(=O)c2c(OC[C@@H]3CC[C@@]4(CCCCO4)O3)cccc21 ZINC001226380482 1031938888 /nfs/dbraw/zinc/93/88/88/1031938888.db2.gz WINBTVBVEKAHEW-LFVRLGFBSA-N -1 3 394.423 3.622 20 10 GHCDHM O=C(OC[C@H]1CCCCN1Cc1ccc(Br)cc1[O-])N1CCCC1 ZINC001205745120 1033555586 /nfs/dbraw/zinc/55/55/86/1033555586.db2.gz SNRQTCUICLGUSD-MRXNPFEDSA-N -1 3 397.313 3.742 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1CCN(c2ccccc2Cl)C1 ZINC001230836449 1034244488 /nfs/dbraw/zinc/24/44/88/1034244488.db2.gz BTEIEMLGSNDSFI-CYBMUJFWSA-N -1 3 377.847 3.510 20 10 GHCDHM O=C([O-])c1ccc(C[NH+]2CCC(Oc3ccc(F)cc3Cl)CC2)c([O-])c1 ZINC001231450574 1034597043 /nfs/dbraw/zinc/59/70/43/1034597043.db2.gz GELWWZFHUPZJMJ-UHFFFAOYSA-N -1 3 379.815 3.926 20 10 GHCDHM CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1Cc1ccc2ccccc2c1[O-] ZINC001231879144 1034962502 /nfs/dbraw/zinc/96/25/02/1034962502.db2.gz WWVLAUDXUGMEKQ-NRFANRHFSA-N -1 3 392.503 3.558 20 10 GHCDHM CC(C)(C)c1cc([O-])c(CN2CCn3c(Cn4cccn4)cnc3C2)cc1Cl ZINC001248883023 1036223090 /nfs/dbraw/zinc/22/30/90/1036223090.db2.gz SSJNTZLATHSBLU-UHFFFAOYSA-N -1 3 399.926 3.800 20 10 GHCDHM COc1cc([O-])c(CN2CCn3c(COCC4CC4)cnc3[C@@H]2C)cc1Cl ZINC001232265523 1037986403 /nfs/dbraw/zinc/98/64/03/1037986403.db2.gz NUSZAHLEZOMMOM-ZDUSSCGKSA-N -1 3 391.899 3.754 20 10 GHCDHM [O-]c1cc(I)ccc1CN1CCC[C@H]1c1ccncc1 ZINC001232979459 1038747503 /nfs/dbraw/zinc/74/75/03/1038747503.db2.gz YTKSXGCCMADPCH-HNNXBMFYSA-N -1 3 380.229 3.729 20 10 GHCDHM COC(=O)c1cc(Br)c([O-])c(CN2CC[C@H](C)C(F)(F)CC2)c1 ZINC001233306586 1039099076 /nfs/dbraw/zinc/09/90/76/1039099076.db2.gz VUXYQALENGAPEG-JTQLQIEISA-N -1 3 392.240 3.809 20 10 GHCDHM CCOC[C@@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])Cc2cnn(CC)c21 ZINC001233416946 1039274678 /nfs/dbraw/zinc/27/46/78/1039274678.db2.gz CKSKDKVFFFAFKS-HNNXBMFYSA-N -1 3 383.414 3.763 20 10 GHCDHM O=C(c1ccc(F)cc1)N1CCN(Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233454296 1039343993 /nfs/dbraw/zinc/34/39/93/1039343993.db2.gz OUZNPWDZRBHZMY-UHFFFAOYSA-N -1 3 382.357 3.508 20 10 GHCDHM C[C@H](Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12)c1ccncc1F ZINC001234753706 1040281714 /nfs/dbraw/zinc/28/17/14/1040281714.db2.gz QRZAZNVYYDBEHW-VIFPVBQESA-N -1 3 383.331 3.737 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@@H](C(F)(F)F)[C@H]2CO)c1 ZINC001236662345 1041810000 /nfs/dbraw/zinc/81/00/00/1041810000.db2.gz CNFJAQZKVNMSDO-DGCLKSJQSA-N -1 3 382.220 3.598 20 10 GHCDHM CCOC(=O)Cc1ccc2c(c1)CN(Cc1ccc(OC)c(Cl)c1[O-])CC2 ZINC001236801222 1041902898 /nfs/dbraw/zinc/90/28/98/1041902898.db2.gz HVPHBFBVHKYFGH-UHFFFAOYSA-N -1 3 389.879 3.718 20 10 GHCDHM Cc1noc([C@@H]2C[C@@H]3CCN(Cc4c([O-])ccc(Cl)c4Cl)C[C@H]3O2)n1 ZINC001237078961 1042023949 /nfs/dbraw/zinc/02/39/49/1042023949.db2.gz DXPJBSNAZQPLFB-NZVBXONLSA-N -1 3 384.263 3.743 20 10 GHCDHM [O-]c1ccc(F)c(Cl)c1CN1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001237121994 1042049984 /nfs/dbraw/zinc/04/99/84/1042049984.db2.gz QDDCEGHOWISSAK-MGPUTAFESA-N -1 3 392.858 3.782 20 10 GHCDHM Nc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1 ZINC001237605519 1042278754 /nfs/dbraw/zinc/27/87/54/1042278754.db2.gz ZXGPUANNWUZQQV-UHFFFAOYSA-N -1 3 395.200 3.851 20 10 GHCDHM O=C1Nc2ccccc2C2(CCN(Cc3cc(F)cc(Cl)c3[O-])CC2)N1 ZINC001237799670 1042376328 /nfs/dbraw/zinc/37/63/28/1042376328.db2.gz SPAKQNTZVJFLOR-UHFFFAOYSA-N -1 3 375.831 3.811 20 10 GHCDHM C[C@@H](CNC(=O)c1cccc(O)c1[O-])Sc1ccc(Br)cc1 ZINC001293031481 1043993756 /nfs/dbraw/zinc/99/37/56/1043993756.db2.gz ZTOZZDLHNIIVGV-JTQLQIEISA-N -1 3 382.279 3.771 20 10 GHCDHM COc1cc([O-])c(CN2CC3(CCN3CCCC(F)(F)F)C2)c(Cl)c1 ZINC001279665501 1047905261 /nfs/dbraw/zinc/90/52/61/1047905261.db2.gz PBROAVGUNXVTJU-UHFFFAOYSA-N -1 3 378.822 3.657 20 10 GHCDHM CCn1ccnc1CN1CC[C@H]2[C@@H]1CCN2Cc1c([O-])ccc(Cl)c1Cl ZINC001279676636 1047910999 /nfs/dbraw/zinc/91/09/99/1047910999.db2.gz JZNVPYBMLQMKTP-HOTGVXAUSA-N -1 3 395.334 3.764 20 10 GHCDHM O=C(Nc1cn[nH]c1)[C@@H]1CC12CCN(Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC001279973207 1048020927 /nfs/dbraw/zinc/02/09/27/1048020927.db2.gz XDUHRAGXXNIWLR-AWEZNQCLSA-N -1 3 395.290 3.663 20 10 GHCDHM O=C([C@@H]1CC12CCN(Cc1cc(Cl)cc(Cl)c1[O-])CC2)N1CCCCO1 ZINC001279976539 1048024232 /nfs/dbraw/zinc/02/42/32/1048024232.db2.gz ZOPRNPBTNKSGNQ-HNNXBMFYSA-N -1 3 399.318 3.855 20 10 GHCDHM COC(=O)CN(Cc1cc(OC)cc(OC)c1)Cc1c([O-])cc(C)cc1Cl ZINC001308633057 1050041084 /nfs/dbraw/zinc/04/10/84/1050041084.db2.gz VVPHDNIRFTYERU-UHFFFAOYSA-N -1 3 393.867 3.546 20 10 GHCDHM CCOC[C@H]1CCCN(c2nnc(-c3sc4ncccc4c3[O-])n2CC)C1 ZINC001343557126 1053877096 /nfs/dbraw/zinc/87/70/96/1053877096.db2.gz IINGMFWFOYZIOM-ZDUSSCGKSA-N -1 3 387.509 3.533 20 10 GHCDHM CC(C)O[C@@H]1CCN(c2nnc(-c3sc4ncccc4c3[O-])n2CC2CC2)C1 ZINC001345903989 1055321178 /nfs/dbraw/zinc/32/11/78/1055321178.db2.gz LXZNNSGQGNJHNC-CQSZACIVSA-N -1 3 399.520 3.674 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)c([O-])c1O ZINC001319952736 1055561160 /nfs/dbraw/zinc/56/11/60/1055561160.db2.gz SCTVFIGBUOXMSS-UHFFFAOYSA-N -1 3 397.452 3.632 20 10 GHCDHM Cc1cccc(S(=O)(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1F ZINC001200846558 1057023398 /nfs/dbraw/zinc/02/33/98/1057023398.db2.gz OOWGKQPFQDPNTA-UHFFFAOYSA-N -1 3 380.828 3.520 20 10 GHCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC001340210300 1059765668 /nfs/dbraw/zinc/76/56/68/1059765668.db2.gz RHGHUAZUYJOLND-UKRRQHHQSA-N -1 3 399.520 3.583 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC(SC)CC1 ZINC001340217574 1059772110 /nfs/dbraw/zinc/77/21/10/1059772110.db2.gz XZUVGMYSNXLXTQ-UHFFFAOYSA-N -1 3 375.523 3.612 20 10 GHCDHM O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1cccc(O)c1[O-] ZINC001467791503 1067470643 /nfs/dbraw/zinc/47/06/43/1067470643.db2.gz XWPFJEGGCVEDSI-GFCCVEGCSA-N -1 3 381.259 3.803 20 10 GHCDHM Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc1 ZINC001468310069 1067678435 /nfs/dbraw/zinc/67/84/35/1067678435.db2.gz GGTOZQIITBBEGZ-UHFFFAOYSA-N -1 3 388.427 3.670 20 10 GHCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@@H]2CCOc3c(Br)cccc32)c1 ZINC000765618013 1068117133 /nfs/dbraw/zinc/11/71/33/1068117133.db2.gz DOLLQXQEZDAMDY-CQSZACIVSA-N -1 3 379.210 3.676 20 10 GHCDHM [O-]c1ccc(Br)cc1CN1CCN(c2nc3ccccc3o2)CC1 ZINC000769353519 1068349461 /nfs/dbraw/zinc/34/94/61/1068349461.db2.gz ORQIXIOIEMXVTP-UHFFFAOYSA-N -1 3 388.265 3.618 20 10 GHCDHM O=C(NCc1cccc(NC(=O)c2ccccc2)c1)NCc1c([O-])cccc1F ZINC001478231853 1078776916 /nfs/dbraw/zinc/77/69/16/1078776916.db2.gz VXRXQPMFKAIZDO-UHFFFAOYSA-N -1 3 393.418 3.783 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)c1ccccc1C(=O)c1ccc(F)c(F)c1 ZINC001471976469 1073288504 /nfs/dbraw/zinc/28/85/04/1073288504.db2.gz ZXABXPRFUZHJJQ-UHFFFAOYSA-N -1 3 385.341 3.971 20 10 GHCDHM C[C@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001474379002 1074374824 /nfs/dbraw/zinc/37/48/24/1074374824.db2.gz BXGZOXPOWFCPCG-OAHLLOKOSA-N -1 3 398.894 3.974 20 10 GHCDHM O=S(=O)(NCc1ccco1)c1cccc(NCc2ccc(Cl)cc2[O-])c1 ZINC001474441600 1074408269 /nfs/dbraw/zinc/40/82/69/1074408269.db2.gz BQBGKCHRSJJZDC-UHFFFAOYSA-N -1 3 392.864 3.729 20 10 GHCDHM FC(F)Oc1ccc(N2CCC(Nc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000737638127 598355059 /nfs/dbraw/zinc/35/50/59/598355059.db2.gz DOAXRMPKWOCZOM-UHFFFAOYSA-N -1 3 386.406 3.549 20 10 GHCDHM Cc1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c(C)n1-c1ccc(F)cc1 ZINC000737238280 598598951 /nfs/dbraw/zinc/59/89/51/598598951.db2.gz JCYGHHQTNKKQOO-UHFFFAOYSA-N -1 3 394.385 3.805 20 10 GHCDHM Cc1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c(C)n1-c1ccc(F)cc1 ZINC000737238280 598598953 /nfs/dbraw/zinc/59/89/53/598598953.db2.gz JCYGHHQTNKKQOO-UHFFFAOYSA-N -1 3 394.385 3.805 20 10 GHCDHM Cc1cc(C(=O)Nc2cccc(F)c2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822034740 599657546 /nfs/dbraw/zinc/65/75/46/599657546.db2.gz KHOBANMTCRMPJF-UHFFFAOYSA-N -1 3 390.422 3.974 20 10 GHCDHM [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826510725 607704894 /nfs/dbraw/zinc/70/48/94/607704894.db2.gz HSJYVZHCZRMEDD-UHFFFAOYSA-N -1 3 376.247 3.658 20 10 GHCDHM c1[nH]c2ncccc2c1C1=CCN(c2nc3ccccc3cc2-c2nnn[n-]2)CC1 ZINC000819719074 606032511 /nfs/dbraw/zinc/03/25/11/606032511.db2.gz YRTLCUHHWNTCTN-UHFFFAOYSA-N -1 3 394.442 3.585 20 10 GHCDHM c1[nH]c2ncccc2c1C1=CCN(c2nc3ccccc3cc2-c2nn[n-]n2)CC1 ZINC000819719074 606032517 /nfs/dbraw/zinc/03/25/17/606032517.db2.gz YRTLCUHHWNTCTN-UHFFFAOYSA-N -1 3 394.442 3.585 20 10 GHCDHM CC(C)(C)c1cnc(SCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)s1 ZINC000819965864 607120025 /nfs/dbraw/zinc/12/00/25/607120025.db2.gz PXQOGNSOXOKKPI-UHFFFAOYSA-N -1 3 399.505 3.963 20 10 GHCDHM CC(C)(C)c1cnc(SCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)s1 ZINC000819965864 607120027 /nfs/dbraw/zinc/12/00/27/607120027.db2.gz PXQOGNSOXOKKPI-UHFFFAOYSA-N -1 3 399.505 3.963 20 10 GHCDHM CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000177115061 835925597 /nfs/dbraw/zinc/92/55/97/835925597.db2.gz LSGBHHPXUMWJPC-UHFFFAOYSA-N -1 3 388.895 3.972 20 10 GHCDHM CC[C@H](C)NS(=O)(=O)Cc1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000125604861 842387116 /nfs/dbraw/zinc/38/71/16/842387116.db2.gz OACAYXUQWHMADG-ZDUSSCGKSA-N -1 3 382.913 3.876 20 10 GHCDHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(NS(=O)(=O)CC)c(C)c2)cc1 ZINC000055668517 854051268 /nfs/dbraw/zinc/05/12/68/854051268.db2.gz RVCFPJREPHTQLH-UHFFFAOYSA-N -1 3 396.534 3.510 20 10 GHCDHM C[C@](CO)(NCc1cc(Cl)cc(Br)c1[O-])c1cccc(O)c1 ZINC000895388367 859349347 /nfs/dbraw/zinc/34/93/47/859349347.db2.gz IKBBCDPXFUXMTQ-MRXNPFEDSA-N -1 3 386.673 3.511 20 10 GHCDHM C[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(Br)cn1 ZINC000793331383 882110115 /nfs/dbraw/zinc/11/01/15/882110115.db2.gz ADHPQCXNRADGTQ-MRVPVSSYSA-N -1 3 386.633 3.962 20 10 GHCDHM CC(C)(CC1CCCCCC1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000857490141 882295242 /nfs/dbraw/zinc/29/52/42/882295242.db2.gz CJMCOQSHMYBWIJ-UHFFFAOYSA-N -1 3 382.526 3.633 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1[O-] ZINC000177026861 882728353 /nfs/dbraw/zinc/72/83/53/882728353.db2.gz HICCPQVBHHWSGK-CQSZACIVSA-N -1 3 392.927 3.719 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC(Oc3ccc(Cl)cn3)CC2)c1[O-] ZINC001197531018 873859186 /nfs/dbraw/zinc/85/91/86/873859186.db2.gz AAGZEJBPQSHXCG-UHFFFAOYSA-N -1 3 378.831 3.826 20 10 GHCDHM CCN(Cc1nncn1-c1ccccc1)Cc1cc(Br)ccc1[O-] ZINC000769730230 874230278 /nfs/dbraw/zinc/23/02/78/874230278.db2.gz SAXAKSDTQYHVKM-UHFFFAOYSA-N -1 3 387.281 3.758 20 10 GHCDHM CC(C)(C)c1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)no1 ZINC000771053066 875013128 /nfs/dbraw/zinc/01/31/28/875013128.db2.gz KHBHARXBYCHKSW-HNNXBMFYSA-N -1 3 391.899 3.726 20 10 GHCDHM CCc1cc(C)c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)o1 ZINC000771057387 875013500 /nfs/dbraw/zinc/01/35/00/875013500.db2.gz IQVLDQDINIABJH-MRXNPFEDSA-N -1 3 376.884 3.904 20 10 GHCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])Nc1ccc([C@H]2CNCCO2)cc1 ZINC000850763843 877151910 /nfs/dbraw/zinc/15/19/10/877151910.db2.gz GXXLWEDKFJSQCY-MRXNPFEDSA-N -1 3 396.274 3.682 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2cc([C@H]3CCCOC3)nn2C)c1 ZINC000790487463 879760419 /nfs/dbraw/zinc/76/04/19/879760419.db2.gz MRDJFBTXSWWBKX-LBPRGKRZSA-N -1 3 380.286 3.703 20 10 GHCDHM O=C(Nc1ccccc1)Nc1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000790624629 879892814 /nfs/dbraw/zinc/89/28/14/879892814.db2.gz RNDRTKSQHQBCME-UHFFFAOYSA-N -1 3 377.400 3.672 20 10 GHCDHM COC(=O)c1cnc2cc(NCc3cc(Cl)c4cccnc4c3[O-])cnc2c1 ZINC001168525430 883665407 /nfs/dbraw/zinc/66/54/07/883665407.db2.gz CZJXVMYELHMEIQ-UHFFFAOYSA-N -1 3 394.818 3.936 20 10 GHCDHM Cc1ccc(C(=O)N2Cc3ccccc3CN2C(=O)OC(C)(C)C)c([O-])c1O ZINC000863842274 887403073 /nfs/dbraw/zinc/40/30/73/887403073.db2.gz MQZRKDKBWCIKKO-UHFFFAOYSA-N -1 3 384.432 3.714 20 10 GHCDHM C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1cccc(Br)c1[O-] ZINC000809771069 887761616 /nfs/dbraw/zinc/76/16/16/887761616.db2.gz CNBWPGRWYDWHGR-FZMZJTMJSA-N -1 3 385.302 3.642 20 10 GHCDHM O=C(c1ccccc1)N1CCN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1 ZINC000917415111 891952464 /nfs/dbraw/zinc/95/24/64/891952464.db2.gz HVGUVTBCTNMIAE-UHFFFAOYSA-N -1 3 390.483 3.975 20 10 GHCDHM CC(=O)c1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cs1 ZINC000815834854 894247736 /nfs/dbraw/zinc/24/77/36/894247736.db2.gz CJWXVSPNXQVFCM-MRXNPFEDSA-N -1 3 392.908 3.704 20 10 GHCDHM CC(=O)c1cc(F)cc(CN(C)[C@H]2CCN(c3ccccc3Cl)C2=O)c1[O-] ZINC000748049982 894597322 /nfs/dbraw/zinc/59/73/22/894597322.db2.gz ZJRSACCCTDXPLE-SFHVURJKSA-N -1 3 390.842 3.625 20 10 GHCDHM O=C(NC[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1)c1ccccc1 ZINC000816499777 894879170 /nfs/dbraw/zinc/87/91/70/894879170.db2.gz ZWAAJVMPFSPXAN-CQSZACIVSA-N -1 3 376.859 3.827 20 10 GHCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000816996603 895247664 /nfs/dbraw/zinc/24/76/64/895247664.db2.gz PYQKTIGFJITFAJ-BDJLRTHQSA-N -1 3 381.350 3.719 20 10 GHCDHM COc1c([O-])c(CN2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000774906623 913992158 /nfs/dbraw/zinc/99/21/58/913992158.db2.gz CJCBKTGVIPVNJZ-DNVCBOLYSA-N -1 3 386.448 3.888 20 10 GHCDHM O=C(c1ccccc1)[C@@H]1CCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144307911 901698147 /nfs/dbraw/zinc/69/81/47/901698147.db2.gz LNOKGZMOPFBNQZ-CYBMUJFWSA-N -1 3 378.241 3.999 20 10 GHCDHM COc1cc2nc(C)sc2cc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775048199 914784638 /nfs/dbraw/zinc/78/46/38/914784638.db2.gz HOCNVRKYQGTBNL-UHFFFAOYSA-N -1 3 375.406 3.848 20 10 GHCDHM [O-]c1ccc(Br)cc1CNCc1ncc(Br)s1 ZINC000714912731 904531464 /nfs/dbraw/zinc/53/14/64/904531464.db2.gz MDGGTMMDJCJVHR-UHFFFAOYSA-N -1 3 378.089 3.664 20 10 GHCDHM Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1cccc(O)c1[O-] ZINC000188225327 904893381 /nfs/dbraw/zinc/89/33/81/904893381.db2.gz YSTDMZNERFQCJA-ZIAGYGMSSA-N -1 3 382.460 3.777 20 10 GHCDHM CN(C)c1ccc(CN2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)cc1 ZINC001175484688 907571097 /nfs/dbraw/zinc/57/10/97/907571097.db2.gz LDSHZJCVWAXTCP-MRXNPFEDSA-N -1 3 391.437 3.925 20 10 GHCDHM COc1ccc(F)cc1CN1CCN(Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC001180422014 910158947 /nfs/dbraw/zinc/15/89/47/910158947.db2.gz BSQVMHIYPPFOTD-UHFFFAOYSA-N -1 3 378.875 3.820 20 10 GHCDHM [O-]c1c(Br)cccc1CNCc1cc(O)ccc1Br ZINC000775153028 915628709 /nfs/dbraw/zinc/62/87/09/915628709.db2.gz QSQTXFQFKWTINS-UHFFFAOYSA-N -1 3 387.071 3.913 20 10 GHCDHM CCCCCC(=O)NC1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000750043399 927402727 /nfs/dbraw/zinc/40/27/27/927402727.db2.gz AMKDTFJAFZFUOL-UHFFFAOYSA-N -1 3 380.916 3.909 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCc3c(ncn3-c3ccc(F)cc3)C2)c1[O-] ZINC000781351338 930808346 /nfs/dbraw/zinc/80/83/46/930808346.db2.gz NNMONLFVXZITMI-UHFFFAOYSA-N -1 3 383.398 3.617 20 10 GHCDHM [O-]c1cccc(F)c1CN1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001137841318 935818540 /nfs/dbraw/zinc/81/85/40/935818540.db2.gz ACTYCMDDGXRUHR-UHFFFAOYSA-N -1 3 393.462 3.828 20 10 GHCDHM COc1cc(Cl)cc(C[NH2+][C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)c1[O-] ZINC001599421070 997595831 /nfs/dbraw/zinc/59/58/31/997595831.db2.gz ZPPQFWRKCQXMGJ-AWEZNQCLSA-N -1 3 389.757 3.989 20 10 GHCDHM C[C@H](NCc1nn(C)cc1Br)c1ccc(Br)cc1[O-] ZINC000834884810 1021610658 /nfs/dbraw/zinc/61/06/58/1021610658.db2.gz PWHDSLZSYNKSRX-QMMMGPOBSA-N -1 3 389.091 3.502 20 10 GHCDHM [O-]c1cc(Cl)ccc1CN1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001140466394 1021761595 /nfs/dbraw/zinc/76/15/95/1021761595.db2.gz CZWSADIKMCZCGJ-LAUBAEHRSA-N -1 3 388.895 3.891 20 10 GHCDHM [O-]c1cccc(Cl)c1CN(CCO)Cc1cc(Br)cs1 ZINC000756121610 1023528042 /nfs/dbraw/zinc/52/80/42/1023528042.db2.gz NKYSITXOGJBSDH-UHFFFAOYSA-N -1 3 376.703 3.864 20 10 GHCDHM Cc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)c([O-])c1O ZINC001140050805 1026831466 /nfs/dbraw/zinc/83/14/66/1026831466.db2.gz WFUHBIKXAJXIFU-UHFFFAOYSA-N -1 3 379.800 3.970 20 10 GHCDHM CCOC(=O)CN(Cc1ccsc1)Cc1c([O-])cccc1Br ZINC001140103501 1026885041 /nfs/dbraw/zinc/88/50/41/1026885041.db2.gz MECGSDBJBBQKMK-UHFFFAOYSA-N -1 3 384.295 3.782 20 10 GHCDHM CCOC[C@H]1CN(Cc2cc(Br)ccc2[O-])Cc2cn(CC)nc21 ZINC001203643276 1027501655 /nfs/dbraw/zinc/50/16/55/1027501655.db2.gz NHTDKTWHXRPSCJ-OAHLLOKOSA-N -1 3 394.313 3.507 20 10 GHCDHM [O-]c1ccc(Br)cc1CN1CC[C@H](N2CCCCC2)C(F)(F)C1 ZINC001203648013 1027504974 /nfs/dbraw/zinc/50/49/74/1027504974.db2.gz BLWKZTLSQSHZIO-INIZCTEOSA-N -1 3 389.284 3.850 20 10 GHCDHM CCOC[C@H]1CN(Cc2cc(Cl)ccc2[O-])Cc2ncn(CC3CC3)c21 ZINC001203655952 1027508829 /nfs/dbraw/zinc/50/88/29/1027508829.db2.gz GFHFDFNUYHSESB-MRXNPFEDSA-N -1 3 375.900 3.788 20 10 GHCDHM [O-]c1cccc(Br)c1CNCc1nnc(-c2ccccc2)s1 ZINC001461348050 1069512646 /nfs/dbraw/zinc/51/26/46/1069512646.db2.gz WCBXAOZQNSBPHN-UHFFFAOYSA-N -1 3 376.279 3.963 20 10 GHCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cc(F)c(Br)cc2F)no1 ZINC001215325265 1029153694 /nfs/dbraw/zinc/15/36/94/1029153694.db2.gz JHHOOOIVJQYQJV-UHFFFAOYSA-N -1 3 385.120 3.561 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cc2ccccc2oc1=O ZINC001150958587 1030721940 /nfs/dbraw/zinc/72/19/40/1030721940.db2.gz WXMUJLLFWXMOBP-UHFFFAOYSA-N -1 3 380.787 3.630 20 10 GHCDHM CCN1CC[C@@H](OC2=CC(=O)C=CC2=NNc2ccc(S(=O)(=O)[O-])cc2)C1 ZINC001229414267 1033469107 /nfs/dbraw/zinc/46/91/07/1033469107.db2.gz LJKYLJYKFVQWOP-FZFLATATSA-N -1 3 391.449 3.527 20 10 GHCDHM O=C(OC[C@@H]1CCCCN1Cc1ccc(Br)cc1[O-])N1CCCC1 ZINC001205745119 1033555290 /nfs/dbraw/zinc/55/52/90/1033555290.db2.gz SNRQTCUICLGUSD-INIZCTEOSA-N -1 3 397.313 3.742 20 10 GHCDHM Cc1nc2nc(Cl)nc(NCc3cc(Cl)c4cccnc4c3[O-])c2[nH]1 ZINC001157724926 1033739842 /nfs/dbraw/zinc/73/98/42/1033739842.db2.gz YLXXFSAWAFRHCP-UHFFFAOYSA-N -1 3 375.219 3.786 20 10 GHCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)c1 ZINC001231564536 1034715090 /nfs/dbraw/zinc/71/50/90/1034715090.db2.gz SWORRVIGVSEPTE-RBBKRZOGSA-N -1 3 381.472 3.703 20 10 GHCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)c1 ZINC001231564536 1034715105 /nfs/dbraw/zinc/71/51/05/1034715105.db2.gz SWORRVIGVSEPTE-RBBKRZOGSA-N -1 3 381.472 3.703 20 10 GHCDHM COc1cc([O-])c(CN2CC[C@@H]2c2ccccc2)cc1I ZINC001248472211 1035900325 /nfs/dbraw/zinc/90/03/25/1035900325.db2.gz SBIFLKRDRATWEB-OAHLLOKOSA-N -1 3 395.240 3.952 20 10 GHCDHM [O-]c1cc(O)c(CN2CCN(c3nsc4ccccc43)CC2)cc1Cl ZINC001232257303 1037980127 /nfs/dbraw/zinc/98/01/27/1037980127.db2.gz CBWKBELFAJNGND-UHFFFAOYSA-N -1 3 375.881 3.683 20 10 GHCDHM Cc1cc([C@@H]2CCCN2Cc2ccc(I)cc2[O-])no1 ZINC001232974231 1038746086 /nfs/dbraw/zinc/74/60/86/1038746086.db2.gz IWYOAJSKQVXUKX-AWEZNQCLSA-N -1 3 384.217 3.630 20 10 GHCDHM CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1Cc1ccc(F)c(F)c1[O-] ZINC001233077328 1038841455 /nfs/dbraw/zinc/84/14/55/1038841455.db2.gz JDIHNNJJYPLXES-VBQJREDUSA-N -1 3 380.479 3.966 20 10 GHCDHM COc1cc([O-])c(CN2CCc3ccc(C(C)=O)cc3C2)cc1Br ZINC001233141920 1038920959 /nfs/dbraw/zinc/92/09/59/1038920959.db2.gz ONPUIOMZCIKKEA-UHFFFAOYSA-N -1 3 390.277 3.924 20 10 GHCDHM CCOC[C@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])Cc2cn(CC)nc21 ZINC001233416934 1039276033 /nfs/dbraw/zinc/27/60/33/1039276033.db2.gz BZLGDLISSOTJOP-OAHLLOKOSA-N -1 3 383.414 3.763 20 10 GHCDHM COc1cc(OC2CCN(Cc3cccc(C(F)(F)F)c3[O-])CC2)ccn1 ZINC001233419554 1039281921 /nfs/dbraw/zinc/28/19/21/1039281921.db2.gz CNFNTZRJCPCNAT-UHFFFAOYSA-N -1 3 382.382 3.858 20 10 GHCDHM COc1cccc(OC2CCN(Cc3cccc(C(F)(F)F)c3[O-])CC2)n1 ZINC001233420093 1039282144 /nfs/dbraw/zinc/28/21/44/1039282144.db2.gz ZFYZIADUIXPNFV-UHFFFAOYSA-N -1 3 382.382 3.858 20 10 GHCDHM [O-]c1cc(C(F)(F)F)ccc1CN1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@@H]21 ZINC001233453142 1039341941 /nfs/dbraw/zinc/34/19/41/1039341941.db2.gz WTZPTULBPJWEIZ-KVSKMBFKSA-N -1 3 394.393 3.617 20 10 GHCDHM COc1ccc(CN2CCC[C@]23CCN(CC=C(C)C)C3=O)c([O-])c1Cl ZINC001277835823 1039900922 /nfs/dbraw/zinc/90/09/22/1039900922.db2.gz ZQUIBDCTGLIBPO-HXUWFJFHSA-N -1 3 378.900 3.587 20 10 GHCDHM COc1cc(CN(C)Cc2cc(Br)cc(F)c2[O-])cc(OC)c1 ZINC001235063766 1040552895 /nfs/dbraw/zinc/55/28/95/1040552895.db2.gz AEGDKLXHUBGALH-UHFFFAOYSA-N -1 3 384.245 3.943 20 10 GHCDHM CC(=O)N1CCCC[C@@]12CCCN(Cc1cc(F)cc(Br)c1[O-])C2 ZINC001235302397 1040773875 /nfs/dbraw/zinc/77/38/75/1040773875.db2.gz PYDYMPCQTOWEGV-SFHVURJKSA-N -1 3 399.304 3.661 20 10 GHCDHM [O-]c1c(Cl)cccc1CN1CCN[C@@H](c2cccc(Br)c2)C1 ZINC001235797625 1041298635 /nfs/dbraw/zinc/29/86/35/1041298635.db2.gz GHRZSNFROALPIQ-MRXNPFEDSA-N -1 3 381.701 3.955 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCCN(C(=O)CC(C)C)CC2)c1 ZINC001236668982 1041815961 /nfs/dbraw/zinc/81/59/61/1041815961.db2.gz KJQNRMFTGFRGLV-UHFFFAOYSA-N -1 3 383.330 3.544 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC001236674163 1041821344 /nfs/dbraw/zinc/82/13/44/1041821344.db2.gz VTGSDZLEFXHSHZ-UHFFFAOYSA-N -1 3 393.300 3.920 20 10 GHCDHM O=C(c1ccsc1)N1C[C@H]2CN(Cc3cc(Cl)c(Cl)cc3[O-])C[C@H]2C1 ZINC001236794573 1041899936 /nfs/dbraw/zinc/89/99/36/1041899936.db2.gz YAYTVUVKVOSFJR-OKILXGFUSA-N -1 3 397.327 3.965 20 10 GHCDHM COc1ccc(CN2CCC(NC(=O)C3CCCCC3)CC2)c([O-])c1Cl ZINC001236809436 1041909574 /nfs/dbraw/zinc/90/95/74/1041909574.db2.gz MNOXAHZSTIMCHG-UHFFFAOYSA-N -1 3 380.916 3.715 20 10 GHCDHM Cc1cc([O-])c(CN2CC[C@H](N3CCCC3)C(F)(F)C2)cc1Br ZINC001237685071 1042326189 /nfs/dbraw/zinc/32/61/89/1042326189.db2.gz NEBLBXYPHQZNOC-INIZCTEOSA-N -1 3 389.284 3.769 20 10 GHCDHM [O-]c1c(I)cccc1CN1CCC[C@H]1c1ccncc1 ZINC001237780952 1042365787 /nfs/dbraw/zinc/36/57/87/1042365787.db2.gz ZLCNTNFBEUNVFO-HNNXBMFYSA-N -1 3 380.229 3.729 20 10 GHCDHM CN(C(=O)c1ccccc1)C1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237800732 1042377630 /nfs/dbraw/zinc/37/76/30/1042377630.db2.gz BSHLXXJSFILXDN-UHFFFAOYSA-N -1 3 376.859 3.921 20 10 GHCDHM CN1C(=O)C2(CCN(Cc3cc(F)cc(Cl)c3[O-])CC2)[C@@H]1c1ccccc1 ZINC001237815084 1042382926 /nfs/dbraw/zinc/38/29/26/1042382926.db2.gz VTQSVWQORROITO-IBGZPJMESA-N -1 3 388.870 3.980 20 10 GHCDHM COc1ccccc1C(=O)NC1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237940735 1042431088 /nfs/dbraw/zinc/43/10/88/1042431088.db2.gz NFXCQDUDLPOKEH-UHFFFAOYSA-N -1 3 392.858 3.588 20 10 GHCDHM O=[N+]([O-])c1c(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)[n-]nc1C(F)(F)F ZINC001256978339 1043780198 /nfs/dbraw/zinc/78/01/98/1043780198.db2.gz GEZMJDWQOUEERY-UHFFFAOYSA-N -1 3 390.281 3.844 20 10 GHCDHM O=[N+]([O-])c1c(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)n[n-]c1C(F)(F)F ZINC001256978339 1043780209 /nfs/dbraw/zinc/78/02/09/1043780209.db2.gz GEZMJDWQOUEERY-UHFFFAOYSA-N -1 3 390.281 3.844 20 10 GHCDHM CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001279073281 1044386903 /nfs/dbraw/zinc/38/69/03/1044386903.db2.gz AGWWBTKOJPWASA-CWRNSKLLSA-N -1 3 380.916 3.866 20 10 GHCDHM CCc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c([O-])c1 ZINC001294160998 1044503667 /nfs/dbraw/zinc/50/36/67/1044503667.db2.gz JZOGBMFXQDSKBZ-HNNXBMFYSA-N -1 3 390.430 3.955 20 10 GHCDHM Cc1ccc(S(=O)(=O)NCc2cc(Cl)c3cccnc3c2[O-])c(C)c1 ZINC001259103208 1044962840 /nfs/dbraw/zinc/96/28/40/1044962840.db2.gz YYLGVSNWHQKWRX-UHFFFAOYSA-N -1 3 376.865 3.689 20 10 GHCDHM C[C@@H]1CCCCN1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1 ZINC001259684440 1045266239 /nfs/dbraw/zinc/26/62/39/1045266239.db2.gz VIWCQQFHKZPTQE-CQSZACIVSA-N -1 3 389.477 3.599 20 10 GHCDHM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2C)cc1 ZINC001259725455 1045276434 /nfs/dbraw/zinc/27/64/34/1045276434.db2.gz VNARAYMUUUYXMS-UHFFFAOYSA-N -1 3 391.493 3.684 20 10 GHCDHM O=c1cccc(CN2C[C@H]3CC[C@@H](C2)N3Cc2c([O-])ccc(Cl)c2Cl)[nH]1 ZINC001279676348 1047909579 /nfs/dbraw/zinc/90/95/79/1047909579.db2.gz BAJMMAORNDRDCU-OKILXGFUSA-N -1 3 394.302 3.648 20 10 GHCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734836871 1049802185 /nfs/dbraw/zinc/80/21/85/1049802185.db2.gz GZASKHJGFRTDMC-UHFFFAOYSA-N -1 3 399.230 3.782 20 10 GHCDHM CCO[C@@H](C)c1nc(CN2CCN(Cc3ccc(Cl)cc3[O-])CC2)cs1 ZINC001308560305 1050008824 /nfs/dbraw/zinc/00/88/24/1050008824.db2.gz JJTGUBJDYROGTM-AWEZNQCLSA-N -1 3 395.956 3.917 20 10 GHCDHM COc1cc(Br)ccc1[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC001312511044 1052772152 /nfs/dbraw/zinc/77/21/52/1052772152.db2.gz FBEKGLJCSUTFKI-JTQLQIEISA-N -1 3 397.244 3.863 20 10 GHCDHM CN(Cc1ccc(N2CCCC2)cc1)Cc1ncc(Br)cc1[O-] ZINC001474506374 1074437882 /nfs/dbraw/zinc/43/78/82/1074437882.db2.gz WJNLGNVPFXWWMT-UHFFFAOYSA-N -1 3 376.298 3.782 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2Cc3ncccc3N3CCC[C@H]3C2)c1 ZINC001474741226 1074541071 /nfs/dbraw/zinc/54/10/71/1074541071.db2.gz HYPOGVIIPIOVEL-HNNXBMFYSA-N -1 3 388.309 3.843 20 10 GHCDHM CCOC(=O)C1(CC(F)F)CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC001474748110 1074543902 /nfs/dbraw/zinc/54/39/02/1074543902.db2.gz LECYBFFSNMXCAS-UHFFFAOYSA-N -1 3 379.806 3.985 20 10 GHCDHM O=S(=O)([N-]Cc1cc(Cl)ccc1O)c1csnc1-c1ccccc1 ZINC001475467757 1074886155 /nfs/dbraw/zinc/88/61/55/1074886155.db2.gz UTNYUWJRXIXHCM-UHFFFAOYSA-N -1 3 380.878 3.648 20 10 GHCDHM O=C1C(=Cc2ccccc2)SC(=S)N1c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738292319 598360153 /nfs/dbraw/zinc/36/01/53/598360153.db2.gz YTFPSZQPIIZBAJ-RIYZIHGNSA-N -1 3 399.888 3.926 20 10 GHCDHM O=C1C(=Cc2ccccc2)SC(=S)N1c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738292319 598360155 /nfs/dbraw/zinc/36/01/55/598360155.db2.gz YTFPSZQPIIZBAJ-RIYZIHGNSA-N -1 3 399.888 3.926 20 10 GHCDHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000736136243 598663863 /nfs/dbraw/zinc/66/38/63/598663863.db2.gz FPTCYOIKIKQDKW-ZDUSSCGKSA-N -1 3 384.871 3.530 20 10 GHCDHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000736136243 598663865 /nfs/dbraw/zinc/66/38/65/598663865.db2.gz FPTCYOIKIKQDKW-ZDUSSCGKSA-N -1 3 384.871 3.530 20 10 GHCDHM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)cc3F)SC2=S)cc1 ZINC000822241490 607456423 /nfs/dbraw/zinc/45/64/23/607456423.db2.gz XYYOPKDUHNXEHB-OQLLNIDSSA-N -1 3 397.460 3.720 20 10 GHCDHM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)cc3F)SC2=S)cc1 ZINC000822241490 607456425 /nfs/dbraw/zinc/45/64/25/607456425.db2.gz XYYOPKDUHNXEHB-OQLLNIDSSA-N -1 3 397.460 3.720 20 10 GHCDHM CC(C)[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000824293436 608580084 /nfs/dbraw/zinc/58/00/84/608580084.db2.gz LQUJSHYPCLFMQO-UHFFFAOYSA-N -1 3 375.835 3.775 20 10 GHCDHM CC(C)[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000824293436 608580085 /nfs/dbraw/zinc/58/00/85/608580085.db2.gz LQUJSHYPCLFMQO-UHFFFAOYSA-N -1 3 375.835 3.775 20 10 GHCDHM CC(C)[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000824293436 608580086 /nfs/dbraw/zinc/58/00/86/608580086.db2.gz LQUJSHYPCLFMQO-UHFFFAOYSA-N -1 3 375.835 3.775 20 10 GHCDHM CC(C)[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000824293436 608580087 /nfs/dbraw/zinc/58/00/87/608580087.db2.gz LQUJSHYPCLFMQO-UHFFFAOYSA-N -1 3 375.835 3.775 20 10 GHCDHM COC(=O)CN(CCSCc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC001167742373 840580015 /nfs/dbraw/zinc/58/00/15/840580015.db2.gz YVFXJSOTLCMYGC-UHFFFAOYSA-N -1 3 379.909 3.954 20 10 GHCDHM COc1c([O-])c(CNc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278863077 843077558 /nfs/dbraw/zinc/07/75/58/843077558.db2.gz MCDFDAFGWMMXMH-OKILXGFUSA-N -1 3 387.436 3.535 20 10 GHCDHM COc1ccc(N[C@@H](C)c2cc3c(cc2O)CCCC3)cc1[N-]S(C)(=O)=O ZINC000186405196 855025153 /nfs/dbraw/zinc/02/51/53/855025153.db2.gz VURYVOSKLHFXDM-ZDUSSCGKSA-N -1 3 390.505 3.824 20 10 GHCDHM [O-]c1ccc2ccncc2c1CN1CCC[C@H]1c1ncc(Br)cn1 ZINC000905734457 856521889 /nfs/dbraw/zinc/52/18/89/856521889.db2.gz FEFBUMNMNKOEOC-INIZCTEOSA-N -1 3 385.265 3.830 20 10 GHCDHM C[C@@H](N[C@@H](CO)c1ccccc1OC(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000281177409 862873676 /nfs/dbraw/zinc/87/36/76/862873676.db2.gz QIKAGCRCKROSRL-RNCFNFMXSA-N -1 3 377.309 3.953 20 10 GHCDHM CN(C)[C@H](C(=O)NCc1cccc(Br)c1[O-])c1cccc(Cl)c1 ZINC000765766529 857139829 /nfs/dbraw/zinc/13/98/29/857139829.db2.gz YMTPLZKWAFHKHA-HNNXBMFYSA-N -1 3 397.700 3.727 20 10 GHCDHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(N(CC)CC)cc3)nc2)n1 ZINC000171944897 863037030 /nfs/dbraw/zinc/03/70/30/863037030.db2.gz HUJRIZQJHRHSDB-UHFFFAOYSA-N -1 3 377.492 3.853 20 10 GHCDHM CC(C)(C)OC(=O)NCC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000768344090 873246243 /nfs/dbraw/zinc/24/62/43/873246243.db2.gz FTBRTCOOPCTGMM-UHFFFAOYSA-N -1 3 399.875 3.691 20 10 GHCDHM CCN(CC)c1ncc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])s1 ZINC000769380411 874009099 /nfs/dbraw/zinc/00/90/99/874009099.db2.gz IJFCIKQXZUXEEH-UHFFFAOYSA-N -1 3 397.928 3.524 20 10 GHCDHM [O-]c1cccc(Br)c1CNCc1cccnc1OCC(F)(F)F ZINC000858094796 882838930 /nfs/dbraw/zinc/83/89/30/882838930.db2.gz JDFMFPOEIZYDNC-UHFFFAOYSA-N -1 3 391.187 3.781 20 10 GHCDHM COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000770484299 874727548 /nfs/dbraw/zinc/72/75/48/874727548.db2.gz RRLFZTIONNOMTG-UHFFFAOYSA-N -1 3 392.411 3.919 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c1[O-] ZINC000772383014 875931763 /nfs/dbraw/zinc/93/17/63/875931763.db2.gz GNNIWJKVSQNIHW-HNNXBMFYSA-N -1 3 398.356 3.801 20 10 GHCDHM Cc1cccc(C)c1NC(=O)CN(C)Cc1cccc(Br)c1[O-] ZINC000179630299 877765900 /nfs/dbraw/zinc/76/59/00/877765900.db2.gz VYDINYLJCFALMO-UHFFFAOYSA-N -1 3 377.282 3.842 20 10 GHCDHM O=C(Cc1c[nH]c2ccccc12)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001183097683 912281466 /nfs/dbraw/zinc/28/14/66/912281466.db2.gz MJCJQOQNTDKEAW-UHFFFAOYSA-N -1 3 393.830 3.503 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1CCc2ccccc2[C@@H]1O ZINC001183393486 912473630 /nfs/dbraw/zinc/47/36/30/912473630.db2.gz MRYONLMALXOREQ-UZLBHIALSA-N -1 3 382.847 3.506 20 10 GHCDHM Cc1ccc(N2C[C@]3(CCN(Cc4cc(F)c(F)cc4[O-])C3)CC2=O)s1 ZINC001142520179 884474122 /nfs/dbraw/zinc/47/41/22/884474122.db2.gz CRSSJABHGNEIMD-LJQANCHMSA-N -1 3 378.444 3.669 20 10 GHCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])Nc1cnn(-c2ccncc2)c1 ZINC000806312905 884557047 /nfs/dbraw/zinc/55/70/47/884557047.db2.gz ZRYWPPAUBZCQSA-UHFFFAOYSA-N -1 3 378.219 3.601 20 10 GHCDHM O=C(NCc1ccc(Cl)cc1)C1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142534710 884605223 /nfs/dbraw/zinc/60/52/23/884605223.db2.gz TVNMLVNJJYEIIG-UHFFFAOYSA-N -1 3 394.849 3.852 20 10 GHCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCN1Cc1ccccc1 ZINC000807838434 885803988 /nfs/dbraw/zinc/80/39/88/885803988.db2.gz RKLRYAHIGZNHJH-QGZVFWFLSA-N -1 3 379.287 3.980 20 10 GHCDHM CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1ccc(F)c([O-])c1)c1ccccc1O ZINC001184074594 912975345 /nfs/dbraw/zinc/97/53/45/912975345.db2.gz YKKJLDTVMJDXTD-OAHLLOKOSA-N -1 3 390.411 3.832 20 10 GHCDHM CN(C)c1cc(F)c(CN[C@H](CSCCc2ccccc2)C(=O)[O-])cc1F ZINC000864510366 887816595 /nfs/dbraw/zinc/81/65/95/887816595.db2.gz VNIQFZAIDBKYIV-GOSISDBHSA-N -1 3 394.487 3.550 20 10 GHCDHM [O-]c1ccc(Cl)cc1CNCc1cn(-c2ccccc2Br)nn1 ZINC000729684486 888502874 /nfs/dbraw/zinc/50/28/74/888502874.db2.gz VORIBXHFFOPCFW-UHFFFAOYSA-N -1 3 393.672 3.679 20 10 GHCDHM CC(C)NC(=O)N1CCc2c(Cl)c([O-])c(O)cc2[C@H](c2ccc(O)cc2)C1 ZINC001202525765 889429663 /nfs/dbraw/zinc/42/96/63/889429663.db2.gz NJTVRYDMFVULHS-INIZCTEOSA-N -1 3 390.867 3.565 20 10 GHCDHM O=C(Nc1ccc(Cl)cn1)C1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876614297 893256844 /nfs/dbraw/zinc/25/68/44/893256844.db2.gz JVMCYZFZXUISRR-UHFFFAOYSA-N -1 3 381.810 3.570 20 10 GHCDHM COC(=O)c1cc2cc(NCc3cc(Cl)c4cccnc4c3[O-])c[nH]c-2n1 ZINC001168523641 893490685 /nfs/dbraw/zinc/49/06/85/893490685.db2.gz QLRKBJZWXKIJMK-UHFFFAOYSA-N -1 3 382.807 3.869 20 10 GHCDHM Cc1ccc(NC(=O)[C@H]2CCCN(Cc3cc(Cl)c(F)cc3[O-])C2)nc1 ZINC000816489391 894855468 /nfs/dbraw/zinc/85/54/68/894855468.db2.gz TUUJSTBZTLOYNI-ZDUSSCGKSA-N -1 3 377.847 3.739 20 10 GHCDHM COc1c([O-])c(CNc2ccc(C)cc2OC[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000774929446 914095869 /nfs/dbraw/zinc/09/58/69/914095869.db2.gz ZHJOEAYVMWAGHK-OAHLLOKOSA-N -1 3 388.420 3.787 20 10 GHCDHM CCOCCOc1c(Cl)cccc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774930231 914098445 /nfs/dbraw/zinc/09/84/45/914098445.db2.gz FTHGTTYYFZCQRT-UHFFFAOYSA-N -1 3 396.827 3.990 20 10 GHCDHM Cn1ncc(C(F)(F)F)c1CNCc1cc(Cl)cc(Br)c1[O-] ZINC000883184657 897347479 /nfs/dbraw/zinc/34/74/79/897347479.db2.gz BOAMSXNBZSBVAG-UHFFFAOYSA-N -1 3 398.610 3.850 20 10 GHCDHM CC[C@H]1[C@H](CO)CCN1Cc1cc(Br)cc(Br)c1[O-] ZINC000824636232 899730016 /nfs/dbraw/zinc/73/00/16/899730016.db2.gz MRACAGXQKVWGFM-ZANVPECISA-N -1 3 393.119 3.510 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNCc2nc3cc(F)ccc3n2C)c1 ZINC000781631017 905422208 /nfs/dbraw/zinc/42/22/08/905422208.db2.gz FNDQRTCTDNPYHI-UHFFFAOYSA-N -1 3 378.245 3.779 20 10 GHCDHM O=C(C[C@H]1OC(=O)c2ccccc21)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001180187607 909983125 /nfs/dbraw/zinc/98/31/25/909983125.db2.gz JVOXAOFBYBXJHO-MRXNPFEDSA-N -1 3 382.803 3.512 20 10 GHCDHM Cc1ccc(C(=O)Nc2cc(I)ccc2C)c([O-])c1O ZINC000774203882 911485362 /nfs/dbraw/zinc/48/53/62/911485362.db2.gz YKPYIKZVFGVINQ-UHFFFAOYSA-N -1 3 383.185 3.572 20 10 GHCDHM O=C(COc1nc2ccccc2s1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001182700987 911982328 /nfs/dbraw/zinc/98/23/28/911982328.db2.gz XOJZWSXKMWKMBG-UHFFFAOYSA-N -1 3 399.859 3.899 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000775148034 915568784 /nfs/dbraw/zinc/56/87/84/915568784.db2.gz WRINMSMUBYUKRA-IINYFYTJSA-N -1 3 382.220 3.598 20 10 GHCDHM COc1ccc(NC(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc1OC ZINC001188817753 916227307 /nfs/dbraw/zinc/22/73/07/916227307.db2.gz YZZGGNGDVDOEJP-UHFFFAOYSA-N -1 3 387.823 3.933 20 10 GHCDHM Cc1cnccc1OC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000775206683 916285660 /nfs/dbraw/zinc/28/56/60/916285660.db2.gz XHKXJZUAGKXZQQ-UHFFFAOYSA-N -1 3 377.828 3.701 20 10 GHCDHM COc1c([O-])c(CN[C@@H](c2cccc(F)c2)c2ccccn2)ccc1[N+](=O)[O-] ZINC000364757477 919953601 /nfs/dbraw/zinc/95/36/01/919953601.db2.gz HFJBRQBGURRHAA-SFHVURJKSA-N -1 3 383.379 3.722 20 10 GHCDHM COC(=O)c1nc(CNCc2cc(C)cc(Br)c2[O-])ccc1Cl ZINC000826981140 924476079 /nfs/dbraw/zinc/47/60/79/924476079.db2.gz KPVPQNKUMNALQH-UHFFFAOYSA-N -1 3 399.672 3.588 20 10 GHCDHM [O-]c1ccc2oc3c(c2c1CN1CCO[C@H](c2noc(C4CC4)n2)C1)CCCC3 ZINC000750007147 927390926 /nfs/dbraw/zinc/39/09/26/927390926.db2.gz BZZJIAXDMXHEPK-IBGZPJMESA-N -1 3 395.459 3.851 20 10 GHCDHM COCCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])c1ccc(OC)c(OC)c1 ZINC000751483246 928214639 /nfs/dbraw/zinc/21/46/39/928214639.db2.gz REVZXFPOEHYMNJ-UHFFFAOYSA-N -1 3 393.867 3.918 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c1[O-] ZINC000752079948 928596368 /nfs/dbraw/zinc/59/63/68/928596368.db2.gz UHXKBYWMUOGNNU-JSGCOSHPSA-N -1 3 396.915 3.983 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCc3c(ncn3-c3ccc(C)cc3)C2)c1[O-] ZINC000753791057 929539197 /nfs/dbraw/zinc/53/91/97/929539197.db2.gz GBWDTEARDIYVBK-UHFFFAOYSA-N -1 3 379.435 3.786 20 10 GHCDHM Cc1csc(N2CCN(Cc3cc(C)cc(Br)c3[O-])CC2)n1 ZINC000781895977 931016928 /nfs/dbraw/zinc/01/69/28/931016928.db2.gz FUYKBHHKLCDAGI-UHFFFAOYSA-N -1 3 382.327 3.550 20 10 GHCDHM CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cccc(C)c1[O-] ZINC000798248903 932575792 /nfs/dbraw/zinc/57/57/92/932575792.db2.gz QTDSUONGFUAULD-UHFFFAOYSA-N -1 3 384.476 3.703 20 10 GHCDHM O=C(NCc1ccc(N2CCCCC2)cc1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000930934254 934306101 /nfs/dbraw/zinc/30/61/01/934306101.db2.gz JOEWEWXCAFXENR-UHFFFAOYSA-N -1 3 397.425 3.727 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2ncc(Br)cn2)c1[O-] ZINC000932255710 934861208 /nfs/dbraw/zinc/86/12/08/934861208.db2.gz GKVIMRWVCUYUHJ-HNNXBMFYSA-N -1 3 394.244 3.624 20 10 GHCDHM C[C@@H]1C[C@@H](C)N(c2nnc(-c3sc4ncccc4c3[O-])n2C[C@H]2CCOC2)C1 ZINC001123030934 935061255 /nfs/dbraw/zinc/06/12/55/935061255.db2.gz OWHDMTGIZMASJC-MGPQQGTHSA-N -1 3 399.520 3.532 20 10 GHCDHM C[C@H]([NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593234391 994401205 /nfs/dbraw/zinc/40/12/05/994401205.db2.gz ZJJHUJRWCRUUJU-GXTWGEPZSA-N -1 3 392.402 3.621 20 10 GHCDHM CCOC(=O)[C@@H]1CCCC[C@H]1Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227941916 1032707087 /nfs/dbraw/zinc/70/70/87/1032707087.db2.gz YZXSEIBMWPSCDW-CRAIPNDOSA-N -1 3 384.428 3.830 20 10 GHCDHM CS(=O)(=O)c1cccc([C@@H]2CCCN(Cc3c([O-])cccc3Cl)C2)c1 ZINC001140341924 1021453272 /nfs/dbraw/zinc/45/32/72/1021453272.db2.gz LDWRFZWQOBFDFA-OAHLLOKOSA-N -1 3 379.909 3.829 20 10 GHCDHM O=C(Nc1ccccc1)C1=NO[C@@]2(C1)CCCN(Cc1c([O-])cccc1Cl)C2 ZINC001140345557 1021460062 /nfs/dbraw/zinc/46/00/62/1021460062.db2.gz WGCDWBLXXPBYID-OAQYLSRUSA-N -1 3 399.878 3.795 20 10 GHCDHM CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccc(Cl)cc2[O-])CCC1(F)F ZINC001140464370 1021755953 /nfs/dbraw/zinc/75/59/53/1021755953.db2.gz MXIDGPNWCPTGGU-AWEZNQCLSA-N -1 3 376.831 3.780 20 10 GHCDHM C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1c([O-])cccc1Br ZINC001204749813 1033064931 /nfs/dbraw/zinc/06/49/31/1033064931.db2.gz KSRKZRYKJUFBOD-GFCCVEGCSA-N -1 3 385.302 3.596 20 10 GHCDHM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)c1C ZINC000755984828 1023467427 /nfs/dbraw/zinc/46/74/27/1023467427.db2.gz VIUZOVNJWVYUCJ-UHFFFAOYSA-N -1 3 377.462 3.720 20 10 GHCDHM COc1ccc(N[C@H]2C[C@H](C)c3c2c(O)ccc3F)cc1[N-]S(C)(=O)=O ZINC000756869390 1023840731 /nfs/dbraw/zinc/84/07/31/1023840731.db2.gz VJKXQAPNQMRQAK-HZMBPMFUSA-N -1 3 380.441 3.572 20 10 GHCDHM CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2CN1Cc1cccc(F)c1[O-] ZINC001138131279 1024186674 /nfs/dbraw/zinc/18/66/74/1024186674.db2.gz UZWWCOFMGRHGLQ-SFHVURJKSA-N -1 3 386.467 3.983 20 10 GHCDHM Cc1cccc(COCc2cnc3n2CCN(Cc2cc(F)ccc2[O-])[C@H]3C)n1 ZINC001140054441 1026833799 /nfs/dbraw/zinc/83/37/99/1026833799.db2.gz QLBRWSHTEJSHOB-INIZCTEOSA-N -1 3 396.466 3.725 20 10 GHCDHM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2[O-])[C@H](C(F)(F)F)C1 ZINC001140056268 1026835055 /nfs/dbraw/zinc/83/50/55/1026835055.db2.gz OQPLVJQJBHQRTC-AWEZNQCLSA-N -1 3 378.366 3.515 20 10 GHCDHM [O-]c1cccc(Br)c1CN1CCN(Cc2c(F)cccc2F)CC1 ZINC001140103280 1026883800 /nfs/dbraw/zinc/88/38/00/1026883800.db2.gz HOBYOTOWMAVOLK-UHFFFAOYSA-N -1 3 397.263 3.751 20 10 GHCDHM CC(=O)c1cc(CN(C)Cc2ccc(C)c(C)c2)c([O-])c(CN2CCOCC2)c1 ZINC000840150625 1027283742 /nfs/dbraw/zinc/28/37/42/1027283742.db2.gz SGICSQFKBHBWQB-UHFFFAOYSA-N -1 3 396.531 3.676 20 10 GHCDHM C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1Cc1cc(Br)ccc1[O-] ZINC001203636632 1027496422 /nfs/dbraw/zinc/49/64/22/1027496422.db2.gz YMGFTOINXBVICA-ZDUSSCGKSA-N -1 3 399.329 3.986 20 10 GHCDHM C[C@@H](Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1ccc(Cl)cc1[O-] ZINC000841751919 1028912910 /nfs/dbraw/zinc/91/29/10/1028912910.db2.gz ONTLOFPSVTWYIW-LLVKDONJSA-N -1 3 380.275 3.808 20 10 GHCDHM CCOCc1cc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)ccc1OC ZINC000841800056 1028945725 /nfs/dbraw/zinc/94/57/25/1028945725.db2.gz GGVBDVFBSIDPIO-SFHVURJKSA-N -1 3 381.831 3.940 20 10 GHCDHM [O-]c1cc(F)c(F)cc1CN1CCC(O)(c2ccc(Br)cc2)CC1 ZINC001142512872 1029016690 /nfs/dbraw/zinc/01/66/90/1029016690.db2.gz ODAOWMOFSIXVIE-UHFFFAOYSA-N -1 3 398.247 3.917 20 10 GHCDHM [O-]c1c(O)cc(-c2nc(-c3cc(Br)cc(F)c3F)no2)cc1O ZINC001215328468 1029156294 /nfs/dbraw/zinc/15/62/94/1029156294.db2.gz GNAOLCMPGOQIBR-UHFFFAOYSA-N -1 3 385.120 3.561 20 10 GHCDHM COC(=O)CC[C@@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001207414282 1034351012 /nfs/dbraw/zinc/35/10/12/1034351012.db2.gz DZTIBQJVWUTQKO-NSHDSACASA-N -1 3 390.705 3.973 20 10 GHCDHM O=C([O-])c1ccc(CN2CCN(Cc3ccc4ccccc4c3)CC2)c(O)c1 ZINC001231455036 1034598988 /nfs/dbraw/zinc/59/89/88/1034598988.db2.gz VASJLNGTUNVGPX-UHFFFAOYSA-N -1 3 376.456 3.561 20 10 GHCDHM Cc1nc([C@H]2C[C@@H]3CCN(Cc4cc(C(=O)[O-])ccc4O)C[C@H]3O2)sc1C ZINC001231561899 1034713702 /nfs/dbraw/zinc/71/37/02/1034713702.db2.gz AZMDMIBKHWKPPB-MORSLUCNSA-N -1 3 388.489 3.516 20 10 GHCDHM CN(Cc1ccco1)[C@@H]1CN(Cc2cccc(Cl)c2[O-])[C@@H]2CCCO[C@H]12 ZINC001231911344 1034985938 /nfs/dbraw/zinc/98/59/38/1034985938.db2.gz KKBHXLNXZKTGQX-GGPKGHCWSA-N -1 3 376.884 3.502 20 10 GHCDHM CCOCc1nnn2c1CN(Cc1cc(Cl)c(C(C)(C)C)cc1[O-])CCC2 ZINC001248882991 1036223360 /nfs/dbraw/zinc/22/33/60/1036223360.db2.gz RSSLGQQSCJLHMZ-UHFFFAOYSA-N -1 3 392.931 3.877 20 10 GHCDHM CN(C(=O)c1ccc(NCc2cc(F)c(F)cc2[O-])cc1)C1CCOCC1 ZINC001462161854 1070043837 /nfs/dbraw/zinc/04/38/37/1070043837.db2.gz FREJSMCWNQYDEY-UHFFFAOYSA-N -1 3 376.403 3.534 20 10 GHCDHM [O-]c1c(Br)cc(Cl)cc1CN1CC[C@@](CO)(c2ccccc2)C1 ZINC001462272799 1070136825 /nfs/dbraw/zinc/13/68/25/1070136825.db2.gz FQEOUQCIHHHWSY-GOSISDBHSA-N -1 3 396.712 3.944 20 10 GHCDHM [O-]c1cc(Br)cc(F)c1CN(Cc1cccnc1)C1CCOCC1 ZINC001233032229 1038784367 /nfs/dbraw/zinc/78/43/67/1038784367.db2.gz WRCMCIGXVFPSCY-UHFFFAOYSA-N -1 3 395.272 3.870 20 10 GHCDHM CC[N@H+](Cc1ccccc1[O-])Cc1cc(C(=O)OC)cc(Br)c1[O-] ZINC001233308700 1039099694 /nfs/dbraw/zinc/09/96/94/1039099694.db2.gz BFGCKGQEHGJTPC-UHFFFAOYSA-N -1 3 394.265 3.669 20 10 GHCDHM CC[N@@H+](Cc1ccccc1[O-])Cc1cc(C(=O)OC)cc(Br)c1[O-] ZINC001233308700 1039099713 /nfs/dbraw/zinc/09/97/13/1039099713.db2.gz BFGCKGQEHGJTPC-UHFFFAOYSA-N -1 3 394.265 3.669 20 10 GHCDHM CN1C(=O)C[C@@H](c2ccccc2)C12CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233334229 1039135505 /nfs/dbraw/zinc/13/55/05/1039135505.db2.gz YJRLDABJYGKJCM-KRWDZBQOSA-N -1 3 386.442 3.651 20 10 GHCDHM CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CN2Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233416566 1039271503 /nfs/dbraw/zinc/27/15/03/1039271503.db2.gz NDULYLFMDPBMFB-DZGCQCFKSA-N -1 3 386.414 3.852 20 10 GHCDHM O=C(NCC(F)F)[C@@H]1CC12CCN(Cc1cc(Cl)c(Cl)cc1[O-])CC2 ZINC001277830004 1039809992 /nfs/dbraw/zinc/80/99/92/1039809992.db2.gz LFPDFEIMIIXEHS-NSHDSACASA-N -1 3 393.261 3.682 20 10 GHCDHM O=c1c2cc(O)c(O)cc2oc2cc([O-])cc(OC3Cc4ccccc4C3)c12 ZINC001234745963 1040272790 /nfs/dbraw/zinc/27/27/90/1040272790.db2.gz FTORQCVNRAKOEF-UHFFFAOYSA-N -1 3 376.364 3.609 20 10 GHCDHM CC(=O)N1CCCC[C@]12CCCN(Cc1cc(Br)cc(F)c1[O-])C2 ZINC001235066124 1040554428 /nfs/dbraw/zinc/55/44/28/1040554428.db2.gz WDFHUZMCTLUHKU-GOSISDBHSA-N -1 3 399.304 3.661 20 10 GHCDHM CC(C)(C)OC(=O)C[C@@H]1CCCN1Cc1cc(Br)cc(F)c1[O-] ZINC001235066792 1040558814 /nfs/dbraw/zinc/55/88/14/1040558814.db2.gz NJHYEUHBZRRKNL-ZDUSSCGKSA-N -1 3 388.277 3.990 20 10 GHCDHM CN(Cc1ccc2c(c1)OCCO2)Cc1cc(F)cc(Br)c1[O-] ZINC001235297461 1040769497 /nfs/dbraw/zinc/76/94/97/1040769497.db2.gz MKSWIUSBZNTUAH-UHFFFAOYSA-N -1 3 382.229 3.697 20 10 GHCDHM COC(=O)c1ccc2c(c1)CN(Cc1cc(C)cc(Br)c1[O-])CC2 ZINC001236665348 1041813016 /nfs/dbraw/zinc/81/30/16/1041813016.db2.gz IUKOCKZZNSMJDJ-UHFFFAOYSA-N -1 3 390.277 3.808 20 10 GHCDHM COc1ccc(N2CCN(Cc3ccc(Br)c([O-])c3)CC2)c(C)c1 ZINC001236695951 1041838118 /nfs/dbraw/zinc/83/81/18/1041838118.db2.gz QKPQMVBWHOODAL-UHFFFAOYSA-N -1 3 391.309 3.794 20 10 GHCDHM O=C1C[C@@]2(CCN(Cc3cc(Cl)c(Cl)cc3[O-])C2)CN1c1ccccn1 ZINC001236792020 1041897183 /nfs/dbraw/zinc/89/71/83/1041897183.db2.gz DUWVRKHDUCLZPN-LJQANCHMSA-N -1 3 392.286 3.723 20 10 GHCDHM COc1cc([O-])c(CN2CCC[C@H]2C(=O)OCc2ccccc2)c(Cl)c1 ZINC001236800153 1041903295 /nfs/dbraw/zinc/90/32/95/1041903295.db2.gz WWPJQHAKHYDBMM-SFHVURJKSA-N -1 3 375.852 3.762 20 10 GHCDHM COc1ccc(CN2CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c([O-])c1Cl ZINC001236808744 1041909822 /nfs/dbraw/zinc/90/98/22/1041909822.db2.gz IRYHHXWURWWNBV-OCCSQVGLSA-N -1 3 384.904 3.789 20 10 GHCDHM COc1cc([O-])c(CN(C)Cc2ccc3c(c2)OCCO3)c(Br)c1 ZINC001237058743 1042014549 /nfs/dbraw/zinc/01/45/49/1042014549.db2.gz BOGXBIQEOHOOKQ-UHFFFAOYSA-N -1 3 394.265 3.567 20 10 GHCDHM COc1cc([O-])c(CN2CCOC[C@@H]2C2CCCCC2)c(Br)c1 ZINC001237068165 1042019514 /nfs/dbraw/zinc/01/95/14/1042019514.db2.gz NDRLPUZBADHOBE-QGZVFWFLSA-N -1 3 384.314 3.944 20 10 GHCDHM NC(=O)c1ccc(O[C@H]2CCCN(Cc3c([O-])ccc(Cl)c3Cl)C2)cc1 ZINC001237085878 1042028823 /nfs/dbraw/zinc/02/88/23/1042028823.db2.gz JYBJCIODBFRKOX-AWEZNQCLSA-N -1 3 395.286 3.841 20 10 GHCDHM [O-]c1c(F)cc(Cl)cc1CN1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001237619178 1042286200 /nfs/dbraw/zinc/28/62/00/1042286200.db2.gz NOXUHIWLXGJXHR-SJLPKXTDSA-N -1 3 394.849 3.661 20 10 GHCDHM CC(C)N(C)Cc1cnc2n1CCN(Cc1cc(F)cc(Cl)c1[O-])[C@H]2C ZINC001237801056 1042377195 /nfs/dbraw/zinc/37/71/95/1042377195.db2.gz QUULGXPDUZJJIM-ZDUSSCGKSA-N -1 3 380.895 3.798 20 10 GHCDHM CCc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c([O-])c1 ZINC001294160999 1044504048 /nfs/dbraw/zinc/50/40/48/1044504048.db2.gz JZOGBMFXQDSKBZ-OAHLLOKOSA-N -1 3 390.430 3.955 20 10 GHCDHM CC(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001279665764 1047905966 /nfs/dbraw/zinc/90/59/66/1047905966.db2.gz WEXJXFKBZCSQOD-AGUYFDCRSA-N -1 3 386.323 3.902 20 10 GHCDHM COc1ccc(CN2CC3(CN(CCCC(F)(F)F)C3)C2)c([O-])c1Cl ZINC001279666221 1047906174 /nfs/dbraw/zinc/90/61/74/1047906174.db2.gz XYHBMOUGQCXUPO-UHFFFAOYSA-N -1 3 378.822 3.514 20 10 GHCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCCC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001279674989 1047909668 /nfs/dbraw/zinc/90/96/68/1047909668.db2.gz TVJNHBLTXCBOQM-UHFFFAOYSA-N -1 3 381.307 3.520 20 10 GHCDHM CC(C)NC(=O)N1CC2(CN(Cc3cc(Cl)c(C(C)(C)C)cc3[O-])C2)C1 ZINC001279941270 1047995662 /nfs/dbraw/zinc/99/56/62/1047995662.db2.gz XFDGJIWKTLQWEK-UHFFFAOYSA-N -1 3 379.932 3.579 20 10 GHCDHM COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cc1 ZINC000755987047 1050906217 /nfs/dbraw/zinc/90/62/17/1050906217.db2.gz XRQVANLHBLLBMS-JXMROGBWSA-N -1 3 389.473 3.811 20 10 GHCDHM O=C([O-])C[C@@H](NCc1ccc2c(c1)CCO2)c1cccc(Br)c1 ZINC000756319835 1051029956 /nfs/dbraw/zinc/02/99/56/1051029956.db2.gz AOBIKJUZMAYXEQ-MRXNPFEDSA-N -1 3 376.250 3.690 20 10 GHCDHM CC(C)Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC2(CCO2)CC1 ZINC001343440184 1053771246 /nfs/dbraw/zinc/77/12/46/1053771246.db2.gz ZCCLMNYVDZOVAL-UHFFFAOYSA-N -1 3 399.520 3.676 20 10 GHCDHM C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NCc1c([O-])cccc1F ZINC001456030237 1062418156 /nfs/dbraw/zinc/41/81/56/1062418156.db2.gz RUUSPCXIOJPJHF-JTQLQIEISA-N -1 3 384.220 3.928 20 10 GHCDHM COc1ccccc1SC[C@@H](C)CNC(=O)NCc1c([O-])cccc1F ZINC001477831482 1078584185 /nfs/dbraw/zinc/58/41/85/1078584185.db2.gz RYTAQJUIOIPGQJ-ZDUSSCGKSA-N -1 3 378.469 3.768 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2ccc(N3CCNC3=O)cc2)c1 ZINC001473945784 1074214266 /nfs/dbraw/zinc/21/42/66/1074214266.db2.gz LAURINXKHWKVRT-UHFFFAOYSA-N -1 3 376.254 3.605 20 10 GHCDHM CC1CCN(c2ccc(CNc3nc4c(cc3-c3nnn[n-]3)CCC4)cc2)CC1 ZINC000736278989 598503215 /nfs/dbraw/zinc/50/32/15/598503215.db2.gz INMROMHWWOULOU-UHFFFAOYSA-N -1 3 389.507 3.599 20 10 GHCDHM CC1CCN(c2ccc(CNc3nc4c(cc3-c3nn[n-]n3)CCC4)cc2)CC1 ZINC000736278989 598503216 /nfs/dbraw/zinc/50/32/16/598503216.db2.gz INMROMHWWOULOU-UHFFFAOYSA-N -1 3 389.507 3.599 20 10 GHCDHM Cc1cccc(C)c1N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)SC1=S ZINC000822293611 606394122 /nfs/dbraw/zinc/39/41/22/606394122.db2.gz DTTIBGWZQSSBKZ-JYRVWZFOSA-N -1 3 399.526 3.951 20 10 GHCDHM COc1c([O-])c(CNCc2csc(CCc3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000278533366 835319387 /nfs/dbraw/zinc/31/93/87/835319387.db2.gz VMHDMCARHOBFSA-UHFFFAOYSA-N -1 3 399.472 3.841 20 10 GHCDHM CCN(Cc1ncn(-c2ccccc2)n1)Cc1cc(Br)ccc1[O-] ZINC000179356362 835543936 /nfs/dbraw/zinc/54/39/36/835543936.db2.gz AOOMMLFXTCLMLR-UHFFFAOYSA-N -1 3 387.281 3.758 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)c([O-])c1O ZINC000182128519 838982618 /nfs/dbraw/zinc/98/26/18/838982618.db2.gz HKUOLHFAKRFZHE-UHFFFAOYSA-N -1 3 394.402 3.979 20 10 GHCDHM COc1csc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000134267222 839807218 /nfs/dbraw/zinc/80/72/18/839807218.db2.gz OWCTWGDODBZFQP-CQSZACIVSA-N -1 3 380.897 3.510 20 10 GHCDHM CC(C)(C)NS(=O)(=O)Cc1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000123151907 841547534 /nfs/dbraw/zinc/54/75/34/841547534.db2.gz ITTACMGCKVKSRY-UHFFFAOYSA-N -1 3 382.913 3.876 20 10 GHCDHM C[C@H](N[C@H](CO)c1ccccc1OC(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000281177411 862874082 /nfs/dbraw/zinc/87/40/82/862874082.db2.gz QIKAGCRCKROSRL-TVQRCGJNSA-N -1 3 377.309 3.953 20 10 GHCDHM COC(=O)Cc1c[nH]c2nccc(NCc3cc(Cl)c4cccnc4c3[O-])c12 ZINC001168526017 871056867 /nfs/dbraw/zinc/05/68/67/871056867.db2.gz PHYGFCNDLVQCHX-UHFFFAOYSA-N -1 3 396.834 3.798 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)c1[O-] ZINC001193672869 871227205 /nfs/dbraw/zinc/22/72/05/871227205.db2.gz ARAWJTQWWMQCLB-BETUJISGSA-N -1 3 380.460 3.564 20 10 GHCDHM O=C(CSc1ccccc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000768913790 873681832 /nfs/dbraw/zinc/68/18/32/873681832.db2.gz AQPVYXUCBVEOCS-KRWDZBQOSA-N -1 3 390.936 3.919 20 10 GHCDHM COC(=O)CN(Cc1c(C)nn(C(C)(C)C)c1C)Cc1cc(Cl)ccc1[O-] ZINC000769380295 874008284 /nfs/dbraw/zinc/00/82/84/874008284.db2.gz RSEBUDVJKQRSPB-UHFFFAOYSA-N -1 3 393.915 3.789 20 10 GHCDHM C[C@H]1CN(Cc2cccc(Br)c2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000769422391 874040000 /nfs/dbraw/zinc/04/00/00/874040000.db2.gz BLTXTBIJQSBWLS-WFASDCNBSA-N -1 3 399.329 3.890 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c([O-])c1O ZINC000770480600 874725373 /nfs/dbraw/zinc/72/53/73/874725373.db2.gz CDCMTVYPOLWYPZ-UHFFFAOYSA-N -1 3 397.818 3.959 20 10 GHCDHM CCCN(CC(=O)Nc1ccccc1OC)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000175525667 877255742 /nfs/dbraw/zinc/25/57/42/877255742.db2.gz MDQIGEPBULQSAM-UHFFFAOYSA-N -1 3 388.439 3.593 20 10 GHCDHM COCCN(Cc1scnc1C)Cc1cc(C)cc(Br)c1[O-] ZINC000787311928 877337705 /nfs/dbraw/zinc/33/77/05/877337705.db2.gz YMFGKMKQHAIEID-UHFFFAOYSA-N -1 3 385.327 3.877 20 10 GHCDHM CCOC(=O)c1csc([C@H]2CCCN2Cc2c([O-])ccc3ccncc32)n1 ZINC000790482924 879756111 /nfs/dbraw/zinc/75/61/11/879756111.db2.gz ORLAGIAZTOXQFG-QGZVFWFLSA-N -1 3 383.473 3.911 20 10 GHCDHM COc1cccc([C@H](NC(=O)c2cccc(O)c2[O-])c2cc(F)ccc2OC)c1 ZINC000790838538 880011632 /nfs/dbraw/zinc/01/16/32/880011632.db2.gz HKAAJFWVKFUDLZ-FQEVSTJZSA-N -1 3 397.402 3.774 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CCc2c(Br)ccc(Cl)c2C1 ZINC000790937976 880069119 /nfs/dbraw/zinc/06/91/19/880069119.db2.gz JZFMLHACAKOZMA-UHFFFAOYSA-N -1 3 382.641 3.712 20 10 GHCDHM Cc1cc(N(C)C)ccc1C[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC001212202722 886204218 /nfs/dbraw/zinc/20/42/18/886204218.db2.gz VFRSDUQFNGJCPA-CYBMUJFWSA-N -1 3 384.904 3.763 20 10 GHCDHM COc1cc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc(OC)c1[O-] ZINC000762556036 886405361 /nfs/dbraw/zinc/40/53/61/886405361.db2.gz UFIRLERQKILJFV-UHFFFAOYSA-N -1 3 394.471 3.789 20 10 GHCDHM COC(=O)c1ccc(NCc2cc(C)cc(Br)c2[O-])cc1OC ZINC000794964738 889087210 /nfs/dbraw/zinc/08/72/10/889087210.db2.gz HWNQOVWOLUPWBA-UHFFFAOYSA-N -1 3 380.238 3.870 20 10 GHCDHM Cc1ccc(S(C)(=O)=O)cc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168523280 892359728 /nfs/dbraw/zinc/35/97/28/892359728.db2.gz MXQCQXCFCZQBRF-UHFFFAOYSA-N -1 3 376.865 3.918 20 10 GHCDHM [O-]c1c(Cl)cc(Cl)cc1CNCc1ccncc1OC[C@@H]1CCOC1 ZINC000288454949 913772216 /nfs/dbraw/zinc/77/22/16/913772216.db2.gz NHJWXPSUKIPCRU-GFCCVEGCSA-N -1 3 383.275 3.799 20 10 GHCDHM [O-]c1cc(F)c(Cl)cc1CN[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000816616755 894977557 /nfs/dbraw/zinc/97/75/57/894977557.db2.gz FTYUQCVQQCYOPA-AWEZNQCLSA-N -1 3 392.627 3.910 20 10 GHCDHM [O-]c1cc(Br)ccc1CN1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000824919909 899890180 /nfs/dbraw/zinc/89/01/80/899890180.db2.gz AQICZNNJPVVDGS-GOEBONIOSA-N -1 3 398.322 3.541 20 10 GHCDHM COCc1ccsc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000778915215 901514336 /nfs/dbraw/zinc/51/43/36/901514336.db2.gz QPFWBTHBFXYCJY-INIZCTEOSA-N -1 3 394.924 3.648 20 10 GHCDHM [O-]c1cc(F)c(Br)cc1CN1CCC(Oc2ccccn2)CC1 ZINC001144299620 901648947 /nfs/dbraw/zinc/64/89/47/901648947.db2.gz CNZQSGCWCYHKLU-UHFFFAOYSA-N -1 3 381.245 3.732 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1 ZINC001148213478 904007728 /nfs/dbraw/zinc/00/77/28/904007728.db2.gz BXEDEBKKMBBMQB-UHFFFAOYSA-N -1 3 397.349 3.680 20 10 GHCDHM Cc1cn(-c2cc(NC(=O)c3cccc(O)c3[O-])cc(C(F)(F)F)c2)cn1 ZINC001148219104 904010449 /nfs/dbraw/zinc/01/04/49/904010449.db2.gz SOAMVOUANROTDL-UHFFFAOYSA-N -1 3 377.322 3.863 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2Cc3ccccc3C[C@@H]2c2nnc(C)o2)c1[O-] ZINC000175590163 905604110 /nfs/dbraw/zinc/60/41/10/905604110.db2.gz MMUXFEGNERAHQY-LJQANCHMSA-N -1 3 381.407 3.725 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](c3nncn3C(C)C)C2)c1[O-] ZINC000180620824 906802587 /nfs/dbraw/zinc/80/25/87/906802587.db2.gz ZFNVLTJUHORNCG-AWEZNQCLSA-N -1 3 376.888 3.800 20 10 GHCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1c(F)ccc(F)c1F ZINC000773409594 907221679 /nfs/dbraw/zinc/22/16/79/907221679.db2.gz ZSQUXAUMMQLJNO-ZDUSSCGKSA-N -1 3 398.812 3.857 20 10 GHCDHM Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1Cc1cc(F)ccc1[O-] ZINC000779611661 907885394 /nfs/dbraw/zinc/88/53/94/907885394.db2.gz LJDGTWWAPYIUIF-HXUWFJFHSA-N -1 3 381.451 3.907 20 10 GHCDHM Cc1nn(-c2ccccc2)c2nc(C(=O)NCc3c([O-])cccc3F)ccc12 ZINC001178412589 909048656 /nfs/dbraw/zinc/04/86/56/909048656.db2.gz ATGBDOAPRYFUAX-UHFFFAOYSA-N -1 3 376.391 3.504 20 10 GHCDHM COC(=O)CN(Cc1c[nH]nc1-c1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000093277063 912152751 /nfs/dbraw/zinc/15/27/51/912152751.db2.gz DTVKCIFLMLRCRA-UHFFFAOYSA-N -1 3 385.851 3.611 20 10 GHCDHM CC(=O)N1CCC(N(Cc2cncs2)Cc2cccc(Cl)c2[O-])CC1 ZINC000292715491 915811897 /nfs/dbraw/zinc/81/18/97/915811897.db2.gz DQDDBUBOCVGQGZ-UHFFFAOYSA-N -1 3 379.913 3.515 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccnn1-c1ccccc1 ZINC001188440391 915946850 /nfs/dbraw/zinc/94/68/50/915946850.db2.gz BZAJINXWRCALEQ-UHFFFAOYSA-N -1 3 378.819 3.710 20 10 GHCDHM C[C@@H](NCc1cn(C)cn1)c1cc(Br)cc(Br)c1[O-] ZINC000903350679 922950047 /nfs/dbraw/zinc/95/00/47/922950047.db2.gz DJOXDLZUFASLDP-MRVPVSSYSA-N -1 3 389.091 3.502 20 10 GHCDHM CC(C)(C)OC(=O)NCc1ccccc1NC(=O)NCc1c([O-])cccc1F ZINC000903474803 923057447 /nfs/dbraw/zinc/05/74/47/923057447.db2.gz DTKVZGRAEWNWQE-UHFFFAOYSA-N -1 3 389.427 3.878 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1[O-] ZINC000750047285 927404109 /nfs/dbraw/zinc/40/41/09/927404109.db2.gz MKKNSOROBBBEFJ-PXAZEXFGSA-N -1 3 396.915 3.983 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(OCc3nc(C)no3)cc2)c1 ZINC000757610858 929744237 /nfs/dbraw/zinc/74/42/37/929744237.db2.gz MCGLZACHMYWRIY-GFCCVEGCSA-N -1 3 383.404 3.622 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(C)c(-c3nnnn3C3CC3)c2)c1 ZINC000757655028 929760400 /nfs/dbraw/zinc/76/04/00/929760400.db2.gz BXMCIWOIFUVBDJ-CYBMUJFWSA-N -1 3 393.447 3.649 20 10 GHCDHM Cc1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)c([O-])c1O ZINC000780906689 930634897 /nfs/dbraw/zinc/63/48/97/930634897.db2.gz GEOAJXSHAUPYLO-ZDUSSCGKSA-N -1 3 377.824 3.870 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCN(Cc3ccsc3)CC2)c1 ZINC000781893955 931015767 /nfs/dbraw/zinc/01/57/67/931015767.db2.gz AKYAHSIBKDAAAR-UHFFFAOYSA-N -1 3 381.339 3.842 20 10 GHCDHM C[C@H]1CCCN(c2ccc(CNC(=O)NCc3ncccc3[O-])cc2Cl)C1 ZINC000799994740 933205782 /nfs/dbraw/zinc/20/57/82/933205782.db2.gz PUTDHWONIVYFIK-AWEZNQCLSA-N -1 3 388.899 3.676 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc(F)cc1OC1CCOCC1 ZINC000931387455 934535657 /nfs/dbraw/zinc/53/56/57/934535657.db2.gz HEHMZTVOWAFKHE-UHFFFAOYSA-N -1 3 378.375 3.550 20 10 GHCDHM Cc1ccc2c(n1)N(Cc1ccncc1)CCN(Cc1c([O-])cccc1F)C2 ZINC001137835867 935815369 /nfs/dbraw/zinc/81/53/69/935815369.db2.gz QKHBSPSWOUKDPS-UHFFFAOYSA-N -1 3 378.451 3.652 20 10 GHCDHM [O-]c1cccc(F)c1CN1CCN(Cc2cccc(Br)c2)CC1 ZINC001137837900 935816550 /nfs/dbraw/zinc/81/65/50/935816550.db2.gz YJWRWFXRZWJGHH-UHFFFAOYSA-N -1 3 379.273 3.612 20 10 GHCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc([O-])cc(Br)c1 ZINC001625794123 1014173365 /nfs/dbraw/zinc/17/33/65/1014173365.db2.gz DPGHHNZZFIEIGB-UHFFFAOYSA-N -1 3 377.282 3.883 20 10 GHCDHM CC(C)Oc1ccc([C@@H](C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])N(C)C)cc1 ZINC001591777006 975930500 /nfs/dbraw/zinc/93/05/00/975930500.db2.gz WRMXQCBLOQQPBH-MGPUTAFESA-N -1 3 386.492 3.831 20 10 GHCDHM COC[C@@H](NC(=O)NCc1c([O-])cccc1F)c1cccc(C(F)(F)F)c1 ZINC001227394318 1032401813 /nfs/dbraw/zinc/40/18/13/1032401813.db2.gz LNSAORMLSHCIMN-OAHLLOKOSA-N -1 3 386.345 3.737 20 10 GHCDHM CC(C)OC(=O)N1CCC(Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)CC1 ZINC001227937179 1032705217 /nfs/dbraw/zinc/70/52/17/1032705217.db2.gz DLMZHWPTEVTBAV-UHFFFAOYSA-N -1 3 399.443 3.717 20 10 GHCDHM O=C1CCCCN1CC1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001204306700 1032748281 /nfs/dbraw/zinc/74/82/81/1032748281.db2.gz JVTPJNVPXGHFSG-UHFFFAOYSA-N -1 3 399.304 3.518 20 10 GHCDHM COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2c([O-])cccc2F)cc1 ZINC001156164306 1032908746 /nfs/dbraw/zinc/90/87/46/1032908746.db2.gz VTFYSRGUUPQWFF-UHFFFAOYSA-N -1 3 394.402 3.722 20 10 GHCDHM COc1c([O-])c(CNc2ccc(NC(=O)CC(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000802659135 1021518215 /nfs/dbraw/zinc/51/82/15/1021518215.db2.gz NVYAKDUUNVHMHI-UHFFFAOYSA-N -1 3 399.325 3.812 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cc(OC)ccc2Br)c1 ZINC000756489081 1023682332 /nfs/dbraw/zinc/68/23/32/1023682332.db2.gz FQQAJDVLCVOUAR-NSHDSACASA-N -1 3 394.265 3.801 20 10 GHCDHM COc1ccccc1[C@@H](CO)N[C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756713182 1023784692 /nfs/dbraw/zinc/78/46/92/1023784692.db2.gz VWKWQEAQEYGLMG-MEBBXXQBSA-N -1 3 384.245 3.687 20 10 GHCDHM [O-]c1c(F)cccc1CN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001138129475 1024179419 /nfs/dbraw/zinc/17/94/19/1024179419.db2.gz FSZBSQOXIZEIQQ-UHFFFAOYSA-N -1 3 384.373 3.748 20 10 GHCDHM Cc1cc(Br)ccc1N1CCN(Cc2cccc(F)c2[O-])CC1 ZINC001138129539 1024179517 /nfs/dbraw/zinc/17/95/17/1024179517.db2.gz JJULUEXGWVIXSF-UHFFFAOYSA-N -1 3 379.273 3.924 20 10 GHCDHM CCNC(=O)COc1cccc(NCc2cc(C)cc(Br)c2[O-])c1 ZINC001461061580 1069369342 /nfs/dbraw/zinc/36/93/42/1069369342.db2.gz WYYVFTWGYJEQPI-UHFFFAOYSA-N -1 3 393.281 3.590 20 10 GHCDHM C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1Cc1c([O-])cccc1Br ZINC001140098523 1026874621 /nfs/dbraw/zinc/87/46/21/1026874621.db2.gz CUPDZBVLWDEJDN-CYBMUJFWSA-N -1 3 399.329 3.986 20 10 GHCDHM [O-]c1cccc(Br)c1CN1CCN(c2cc(Cl)ccn2)CC1 ZINC001140101049 1026878893 /nfs/dbraw/zinc/87/88/93/1026878893.db2.gz HUBWAPPWEHEHKB-UHFFFAOYSA-N -1 3 382.689 3.525 20 10 GHCDHM CC(=O)c1ccc(N2CCN(Cc3c([O-])cccc3Br)CC2)cc1 ZINC001140101555 1026880653 /nfs/dbraw/zinc/88/06/53/1026880653.db2.gz XTHDCICMKLWRCS-UHFFFAOYSA-N -1 3 389.293 3.680 20 10 GHCDHM CCOc1ccc(N2CCN(Cc3c([O-])cccc3Br)CC2)cc1 ZINC001140102575 1026882395 /nfs/dbraw/zinc/88/23/95/1026882395.db2.gz SIIFPAYIFSMOCN-UHFFFAOYSA-N -1 3 391.309 3.876 20 10 GHCDHM O=C1C[C@]2(CCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)CN1c1ccccn1 ZINC001203577424 1027447068 /nfs/dbraw/zinc/44/70/68/1027447068.db2.gz CKSKREXUHMXSLP-IBGZPJMESA-N -1 3 392.286 3.723 20 10 GHCDHM CCOC[C@@H]1CN(Cc2cc(Cl)ccc2[O-])Cc2nn(CC3CC3)cc21 ZINC001203656503 1027512330 /nfs/dbraw/zinc/51/23/30/1027512330.db2.gz QFFPFQRSUCFYIN-INIZCTEOSA-N -1 3 375.900 3.788 20 10 GHCDHM [O-]c1ccc(Cl)cc1CN1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001203658804 1027513362 /nfs/dbraw/zinc/51/33/62/1027513362.db2.gz PBHBDZPRVDHKBV-OZOXKJRCSA-N -1 3 388.895 3.637 20 10 GHCDHM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCO2 ZINC000840915401 1027952168 /nfs/dbraw/zinc/95/21/68/1027952168.db2.gz HMWDXUZLTZXSIB-UHFFFAOYSA-N -1 3 375.446 3.590 20 10 GHCDHM C[C@H](Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1ccc(Cl)cc1[O-] ZINC000841751920 1028912574 /nfs/dbraw/zinc/91/25/74/1028912574.db2.gz ONTLOFPSVTWYIW-NSHDSACASA-N -1 3 380.275 3.808 20 10 GHCDHM O=S(=O)(c1ccccc1)c1ccc(-c2noc(-c3cccc(O)c3[O-])n2)cc1 ZINC001215145896 1029058378 /nfs/dbraw/zinc/05/83/78/1029058378.db2.gz PVQCSGBEKNBNBE-UHFFFAOYSA-N -1 3 394.408 3.648 20 10 GHCDHM C[C@H]1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)C[C@H]1C(=O)[O-] ZINC000843041133 1029782672 /nfs/dbraw/zinc/78/26/72/1029782672.db2.gz OURTYRZDDWODDR-GOEBONIOSA-N -1 3 395.341 3.982 20 10 GHCDHM C[C@H](CNC(=O)NCc1c([O-])cccc1F)Oc1cccc(Br)c1 ZINC001222640364 1030254384 /nfs/dbraw/zinc/25/43/84/1030254384.db2.gz WIXPWFVGRHKZDT-LLVKDONJSA-N -1 3 397.244 3.561 20 10 GHCDHM O=C1c2cccc([O-])c2C(=O)c2c(OC[C@H]3CC[C@]4(CCCCO4)O3)cccc21 ZINC001226380481 1031939000 /nfs/dbraw/zinc/93/90/00/1031939000.db2.gz WINBTVBVEKAHEW-FATZIPQQSA-N -1 3 394.423 3.622 20 10 GHCDHM CC(C)=CCNC(=O)[C@H]1CC12CCN(Cc1cc(F)cc(Cl)c1[O-])CC2 ZINC001277505781 1034511043 /nfs/dbraw/zinc/51/10/43/1034511043.db2.gz CIZAEPWJKSKEPD-MRXNPFEDSA-N -1 3 380.891 3.869 20 10 GHCDHM O=C([O-])c1ccc(C[NH+]2CCC(c3nnc(-c4ccccc4)o3)CC2)c([O-])c1 ZINC001231451638 1034597171 /nfs/dbraw/zinc/59/71/71/1034597171.db2.gz NYKJMKOEGPXGFU-UHFFFAOYSA-N -1 3 379.416 3.520 20 10 GHCDHM Cc1cc([O-])c(CN2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)cc1Cl ZINC001231868953 1034956548 /nfs/dbraw/zinc/95/65/48/1034956548.db2.gz ZVHCOBLNKSOLKC-SESVDKBCSA-N -1 3 388.895 3.698 20 10 GHCDHM CC(C)N(C)C(=O)c1noc2c1CN(Cc1ccc3ccccc3c1[O-])CC2 ZINC001231877987 1034962649 /nfs/dbraw/zinc/96/26/49/1034962649.db2.gz CCBSFMJSUDXETH-UHFFFAOYSA-N -1 3 379.460 3.572 20 10 GHCDHM CC[C@H]1CN(Cc2cc(Cl)c(OC)cc2[O-])CCN1C(=O)OC(C)(C)C ZINC001232269497 1037992032 /nfs/dbraw/zinc/99/20/32/1037992032.db2.gz CDNWQWBRWNKLFC-AWEZNQCLSA-N -1 3 384.904 3.886 20 10 GHCDHM CCCOC1CN(Cc2cc(-c3nc(C)c(C(=O)OCC)s3)ccc2[O-])C1 ZINC001232451368 1038235112 /nfs/dbraw/zinc/23/51/12/1038235112.db2.gz CPZRJWVIEQDPRD-UHFFFAOYSA-N -1 3 390.505 3.612 20 10 GHCDHM CCOC(=O)c1sc(-c2ccc([O-])c(CN3CCC(=O)C[C@H]3C)c2)nc1C ZINC001232452680 1038236313 /nfs/dbraw/zinc/23/63/13/1038236313.db2.gz ZCHRKSDTJSGXRI-GFCCVEGCSA-N -1 3 388.489 3.554 20 10 GHCDHM COC(=O)c1ccc(OC2CCN(Cc3ccc(F)c(F)c3[O-])CC2)cc1 ZINC001233077612 1038840573 /nfs/dbraw/zinc/84/05/73/1038840573.db2.gz UEKSBYPKXSTWHY-UHFFFAOYSA-N -1 3 377.387 3.500 20 10 GHCDHM CC(C)(C)OC(=O)N1CCCC2(CN(Cc3ccc(F)c(F)c3[O-])C2)CC1 ZINC001233078299 1038845092 /nfs/dbraw/zinc/84/50/92/1038845092.db2.gz QKTJGDZILCUIKQ-UHFFFAOYSA-N -1 3 382.451 3.893 20 10 GHCDHM [O-]c1c(CN2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)cccc1C(F)(F)F ZINC001233416898 1039276001 /nfs/dbraw/zinc/27/60/01/1039276001.db2.gz AQDSHZQIKOJEML-GJYPPUQNSA-N -1 3 394.393 3.617 20 10 GHCDHM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2[O-])C[C@H]1F ZINC001233452175 1039334409 /nfs/dbraw/zinc/33/44/09/1039334409.db2.gz MXUMMIHZFZHLLZ-ZIAGYGMSSA-N -1 3 392.393 3.848 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCCC[C@@](O)(C(F)(F)F)C2)c1 ZINC001236664800 1041812465 /nfs/dbraw/zinc/81/24/65/1041812465.db2.gz XIAXZAWXPHITCC-AWEZNQCLSA-N -1 3 382.220 3.742 20 10 GHCDHM O=C(c1ccco1)N1CC[C@H]2CN(Cc3cc(Cl)c(Cl)cc3[O-])C[C@H]21 ZINC001236792008 1041896972 /nfs/dbraw/zinc/89/69/72/1041896972.db2.gz DQTMXSFYQHZWIO-XHDPSFHLSA-N -1 3 381.259 3.639 20 10 GHCDHM COc1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H](C)C2)c([O-])c1Cl ZINC001236801677 1041903921 /nfs/dbraw/zinc/90/39/21/1041903921.db2.gz LHVQNMFDPUFCJW-ZDUSSCGKSA-N -1 3 384.904 3.743 20 10 GHCDHM O=C(NC1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1)N1CCCCC1 ZINC001236804453 1041906387 /nfs/dbraw/zinc/90/63/87/1041906387.db2.gz UBDWKBHCBYLSET-UHFFFAOYSA-N -1 3 386.323 3.859 20 10 GHCDHM COc1ccc(CN2C[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C2)c([O-])c1Cl ZINC001236808351 1041908932 /nfs/dbraw/zinc/90/89/32/1041908932.db2.gz XIWQJSVRQMGTGD-JSGCOSHPSA-N -1 3 384.904 3.789 20 10 GHCDHM CC[C@H](C)N1CC[C@@]2(CCN(Cc3c([O-])cc(Br)cc3F)C2)C1=O ZINC001278043676 1041998381 /nfs/dbraw/zinc/99/83/81/1041998381.db2.gz MWXUWWGQRBFNBJ-KPZWWZAWSA-N -1 3 399.304 3.517 20 10 GHCDHM CCCCN1CC[C@@]2(CCN(Cc3c([O-])cc(Br)cc3F)C2)C1=O ZINC001278045719 1042007565 /nfs/dbraw/zinc/00/75/65/1042007565.db2.gz PXMDKYCCHAAWJA-GOSISDBHSA-N -1 3 399.304 3.518 20 10 GHCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001237618771 1042285473 /nfs/dbraw/zinc/28/54/73/1042285473.db2.gz KUSHINBSVRGWLT-OXJNMPFZSA-N -1 3 392.858 3.782 20 10 GHCDHM Cc1cc([O-])c(CN2C[C@H]3C[C@@H](C2)N3C(=O)OC(C)(C)C)cc1Br ZINC001237678756 1042319123 /nfs/dbraw/zinc/31/91/23/1042319123.db2.gz BRTALKBJAQTDQO-OKILXGFUSA-N -1 3 397.313 3.657 20 10 GHCDHM CC1(C)CN(Cc2cccc(I)c2[O-])CCC1(F)F ZINC001237775002 1042363107 /nfs/dbraw/zinc/36/31/07/1042363107.db2.gz BGJVNXFNILOTML-UHFFFAOYSA-N -1 3 381.204 3.864 20 10 GHCDHM [O-]c1c(Cl)cc(F)cc1CN1CCN2C[C@@H](Oc3ccccc3)C[C@@H]2C1 ZINC001237801501 1042377428 /nfs/dbraw/zinc/37/74/28/1042377428.db2.gz UQTSCTRSHOZWSN-AEFFLSMTSA-N -1 3 376.859 3.522 20 10 GHCDHM [O-]c1cc(Cl)c(F)cc1CN1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001237935651 1042427173 /nfs/dbraw/zinc/42/71/73/1042427173.db2.gz DFRSTPVLMSBKQX-QKYXUNIQSA-N -1 3 392.858 3.781 20 10 GHCDHM O=C(c1ccco1)N1C[C@H]2CCCN(Cc3cc(F)c(Cl)cc3[O-])[C@H]2C1 ZINC001237936772 1042428167 /nfs/dbraw/zinc/42/81/67/1042428167.db2.gz MJQYVHSOIKGESN-WBMJQRKESA-N -1 3 378.831 3.514 20 10 GHCDHM Cc1nc(NC(=O)c2cccc(O)c2[O-])sc1Cc1c(F)cccc1F ZINC001297148456 1045465273 /nfs/dbraw/zinc/46/52/73/1045465273.db2.gz INZFESFSWOHMMC-UHFFFAOYSA-N -1 3 376.384 3.984 20 10 GHCDHM O=C(Nc1cnc(-c2ccc(Br)s2)nc1)c1cccc(O)c1[O-] ZINC001299832647 1046060263 /nfs/dbraw/zinc/06/02/63/1046060263.db2.gz SZJKUCKJYSBNMM-UHFFFAOYSA-N -1 3 392.234 3.631 20 10 GHCDHM CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1c([O-])cccc1F ZINC001303877783 1047526323 /nfs/dbraw/zinc/52/63/23/1047526323.db2.gz GYBRVAWTSUUHQZ-QGZVFWFLSA-N -1 3 392.858 3.646 20 10 GHCDHM CCN(CC)C(=O)OC[C@@H]1CCCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC001307745724 1049557366 /nfs/dbraw/zinc/55/73/66/1049557366.db2.gz FGHFIIUNQFUYPL-KRWDZBQOSA-N -1 3 380.460 3.567 20 10 GHCDHM O=C(NC/C=C/c1ccc(Br)cc1)NCc1c([O-])cccc1F ZINC001312754069 1052858650 /nfs/dbraw/zinc/85/86/50/1052858650.db2.gz DBSQAGZSEOJVLH-NSCUHMNNSA-N -1 3 379.229 3.806 20 10 GHCDHM CCN(Cc1cc(Br)ccc1O)C(=O)c1c([O-])cccc1OC ZINC001445657379 1059588702 /nfs/dbraw/zinc/58/87/02/1059588702.db2.gz UUXQGUWQZYTWEX-UHFFFAOYSA-N -1 3 380.238 3.531 20 10 GHCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC([C@H]2CCCCO2)CC1 ZINC001341901045 1060943555 /nfs/dbraw/zinc/94/35/55/1060943555.db2.gz IJFFCOJOKXVEJO-OAHLLOKOSA-N -1 3 399.520 3.583 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)c1[O-] ZINC001459608287 1064140983 /nfs/dbraw/zinc/14/09/83/1064140983.db2.gz KYQCDYFLRAQAMU-FZKQIMNGSA-N -1 3 394.487 3.859 20 10 GHCDHM CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001351176759 1064292805 /nfs/dbraw/zinc/29/28/05/1064292805.db2.gz NBGJSTLDQABLJY-UHFFFAOYSA-N -1 3 393.846 3.987 20 10 GHCDHM O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCc1c([O-])cccc1F ZINC001471974948 1073287664 /nfs/dbraw/zinc/28/76/64/1073287664.db2.gz LYLBWCHHCGBTOH-FQEVSTJZSA-N -1 3 392.430 3.709 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCOc3c(Br)cccc3C2)c1[O-] ZINC001473440559 1073964142 /nfs/dbraw/zinc/96/41/42/1073964142.db2.gz VASNLAIESQMPEQ-UHFFFAOYSA-N -1 3 394.240 3.891 20 10 GHCDHM CC(C)(C)OC(=O)N[C@@H]1CCCN(Cc2ccc(Br)cc2[O-])C1 ZINC001474452177 1074412995 /nfs/dbraw/zinc/41/29/95/1074412995.db2.gz IWMLOEBVSVSBRM-CQSZACIVSA-N -1 3 385.302 3.644 20 10 GHCDHM Cc1ccc(F)c(C=C2SC(=S)N(c3ccccc3-c3nnn[n-]3)C2=O)c1 ZINC000737344849 599215473 /nfs/dbraw/zinc/21/54/73/599215473.db2.gz LCLIOXYTFBJWDO-OQLLNIDSSA-N -1 3 397.460 3.720 20 10 GHCDHM Cc1ccc(F)c(C=C2SC(=S)N(c3ccccc3-c3nn[n-]n3)C2=O)c1 ZINC000737344849 599215476 /nfs/dbraw/zinc/21/54/76/599215476.db2.gz LCLIOXYTFBJWDO-OQLLNIDSSA-N -1 3 397.460 3.720 20 10 GHCDHM Cc1cc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227678 598610240 /nfs/dbraw/zinc/61/02/40/598610240.db2.gz PDAAOLOBMXVTQN-KUHUBIRLSA-N -1 3 392.507 3.925 20 10 GHCDHM Cc1cc(C(=O)N(C)[C@@H](C)C2(C)CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167748 606582923 /nfs/dbraw/zinc/58/29/23/606582923.db2.gz HNIZCMDNMCXBQZ-HNNXBMFYSA-N -1 3 378.480 3.535 20 10 GHCDHM Cc1cc(C(=O)O[C@H](C)c2ccncc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826261072 607959668 /nfs/dbraw/zinc/95/96/68/607959668.db2.gz PSHRDGUVFXRNSD-OAHLLOKOSA-N -1 3 388.431 3.587 20 10 GHCDHM CCCN1C(=O)CCc2cc(NCc3ccc([N+](=O)[O-])c(OC)c3[O-])ccc21 ZINC000278524468 835308664 /nfs/dbraw/zinc/30/86/64/835308664.db2.gz SURNSUFGJDHDFB-UHFFFAOYSA-N -1 3 385.420 3.610 20 10 GHCDHM CC(C)N(CCNC(=O)OC(C)(C)C)Cc1c([O-])cccc1Br ZINC001140101513 837012581 /nfs/dbraw/zinc/01/25/81/837012581.db2.gz WTWZUOCFVAEQAS-UHFFFAOYSA-N -1 3 387.318 3.890 20 10 GHCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC([C@H](O)c3ccccc3)CC2)c1[O-] ZINC000124578875 841000893 /nfs/dbraw/zinc/00/08/93/841000893.db2.gz FYKIPARXKMCQNO-GOSISDBHSA-N -1 3 376.840 3.899 20 10 GHCDHM O=S(=O)(CCNCc1cc(Cl)cc(Cl)c1[O-])c1ccc(Cl)cc1 ZINC000171128975 861539636 /nfs/dbraw/zinc/53/96/36/861539636.db2.gz YJCIINJAOIICFJ-UHFFFAOYSA-N -1 3 394.707 3.916 20 10 GHCDHM COC(=O)CN(Cc1csc(C(C)(C)C)n1)Cc1cc(Cl)ccc1[O-] ZINC000732202782 862143114 /nfs/dbraw/zinc/14/31/14/862143114.db2.gz CLZGFHXWYWWBPU-UHFFFAOYSA-N -1 3 382.913 3.975 20 10 GHCDHM COc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)c(Br)c1[O-] ZINC000761013878 857383344 /nfs/dbraw/zinc/38/33/44/857383344.db2.gz CCUUCWXNFCFRRX-XFXZXTDPSA-N -1 3 397.294 3.620 20 10 GHCDHM COc1ccc(N2CCN(C(=O)c3cc([O-])cc(C(F)(F)F)c3)CC2)cc1F ZINC000857147026 882052518 /nfs/dbraw/zinc/05/25/18/882052518.db2.gz HMBUJFBZFVRJQO-UHFFFAOYSA-N -1 3 398.356 3.521 20 10 GHCDHM O=S(=O)([N-]Cc1ccc(N2CCCCC2)cc1)c1cc(F)c(F)c(F)c1 ZINC000742284542 867194437 /nfs/dbraw/zinc/19/44/37/867194437.db2.gz ZSOPDKQWAAYPCB-UHFFFAOYSA-N -1 3 384.423 3.573 20 10 GHCDHM [O-]c1ccc(Cl)c(F)c1CN[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000793347370 882144468 /nfs/dbraw/zinc/14/44/68/882144468.db2.gz BJNNAGZRPWGXGI-LBPRGKRZSA-N -1 3 379.737 3.907 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1nc(C(F)(F)F)cs1 ZINC001192467536 870385545 /nfs/dbraw/zinc/38/55/45/870385545.db2.gz ZEGVGLXFHHDRGB-UHFFFAOYSA-N -1 3 387.770 3.999 20 10 GHCDHM O=C(NCC(F)(F)F)C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000768781656 873575712 /nfs/dbraw/zinc/57/57/12/873575712.db2.gz WQCVWOVOEWJCJR-UHFFFAOYSA-N -1 3 385.213 3.590 20 10 GHCDHM COc1ccc(F)cc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000768915798 873685000 /nfs/dbraw/zinc/68/50/00/873685000.db2.gz NBPIEDWHSNLNPU-INIZCTEOSA-N -1 3 392.858 3.588 20 10 GHCDHM CC(C)(C)OC(=O)NC[C@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000769119484 873821975 /nfs/dbraw/zinc/82/19/75/873821975.db2.gz AHYTZPNDYPORRJ-GFCCVEGCSA-N -1 3 399.875 3.691 20 10 GHCDHM O=C(c1c(F)cccc1Cl)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000769155480 873854388 /nfs/dbraw/zinc/85/43/88/873854388.db2.gz XFUUFRFWQNRMPJ-UHFFFAOYSA-N -1 3 383.250 3.796 20 10 GHCDHM COC(=O)CN(Cc1cnc(C)n1-c1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000769382230 874010349 /nfs/dbraw/zinc/01/03/49/874010349.db2.gz VWQKVKKKZWASJM-UHFFFAOYSA-N -1 3 399.878 3.715 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1csc(C2CC2)n1 ZINC000771056620 875012815 /nfs/dbraw/zinc/01/28/15/875012815.db2.gz FMESUJKJZZNRRS-OAHLLOKOSA-N -1 3 391.924 3.774 20 10 GHCDHM Cc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c(C)n1-c1ccccc1C ZINC000745466204 882896841 /nfs/dbraw/zinc/89/68/41/882896841.db2.gz SXUKHHIQSPBOGX-UHFFFAOYSA-N -1 3 386.459 3.513 20 10 GHCDHM Cc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c(C)n1-c1ccccc1C ZINC000745466204 882896857 /nfs/dbraw/zinc/89/68/57/882896857.db2.gz SXUKHHIQSPBOGX-UHFFFAOYSA-N -1 3 386.459 3.513 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2cccc3c2CCN(C)C3=O)c1 ZINC000850383622 876868002 /nfs/dbraw/zinc/86/80/02/876868002.db2.gz QXLMSSBVZIRIOD-UHFFFAOYSA-N -1 3 375.266 3.703 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1CCc2ccccc2[C@@H]1O ZINC001183393480 912473944 /nfs/dbraw/zinc/47/39/44/912473944.db2.gz MRYONLMALXOREQ-JXFKEZNVSA-N -1 3 382.847 3.506 20 10 GHCDHM Cc1cccc(NC(=O)[C@H]2CCCN(Cc3c([O-])ccc(Cl)c3F)C2)n1 ZINC000792162167 880934283 /nfs/dbraw/zinc/93/42/83/880934283.db2.gz GTSVXQBRCIRBOJ-ZDUSSCGKSA-N -1 3 377.847 3.739 20 10 GHCDHM CCOC(=O)c1c(Cl)ncnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168524002 884078295 /nfs/dbraw/zinc/07/82/95/884078295.db2.gz LEIRIRIGLBJDGO-UHFFFAOYSA-N -1 3 393.230 3.826 20 10 GHCDHM Cc1cc([O-])c(CN2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1Cl ZINC000825556642 885097837 /nfs/dbraw/zinc/09/78/37/885097837.db2.gz UAOYLXAPVCDNKH-UHFFFAOYSA-N -1 3 392.834 3.547 20 10 GHCDHM CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1c([O-])cccc1Br ZINC000862238644 886239587 /nfs/dbraw/zinc/23/95/87/886239587.db2.gz DENJNANBODWVMR-UHFFFAOYSA-N -1 3 391.309 3.879 20 10 GHCDHM C[C@H]1CN(Cc2ccc(N3CCCCC3)c(Br)c2)CC[C@@H]1C(=O)[O-] ZINC000863742432 887354544 /nfs/dbraw/zinc/35/45/44/887354544.db2.gz VYPANCPONHLLCP-HOCLYGCPSA-N -1 3 395.341 3.982 20 10 GHCDHM CC(C)N(CC(=O)N1CCCCCC1)Cc1cccc(Br)c1[O-] ZINC000809714713 887736943 /nfs/dbraw/zinc/73/69/43/887736943.db2.gz PDDCKSRQCWUOQN-UHFFFAOYSA-N -1 3 383.330 3.768 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC(=O)Nc3cc(F)ccc32)c1 ZINC000811508281 889699894 /nfs/dbraw/zinc/69/98/94/889699894.db2.gz JSOUELFVOWVTTC-UHFFFAOYSA-N -1 3 379.229 3.951 20 10 GHCDHM CC(=O)N1CCC(N(Cc2cncs2)Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000814178939 892343712 /nfs/dbraw/zinc/34/37/12/892343712.db2.gz JSYSXPJNQSNOBE-UHFFFAOYSA-N -1 3 397.903 3.654 20 10 GHCDHM COC(=O)c1c[nH]c2ncc(NCc3cc(Cl)c4cccnc4c3[O-])cc12 ZINC001168523809 893756759 /nfs/dbraw/zinc/75/67/59/893756759.db2.gz SOVDGXYIFGNDAU-UHFFFAOYSA-N -1 3 382.807 3.869 20 10 GHCDHM COC(=O)c1cnc2[nH]cc(NCc3cc(Cl)c4cccnc4c3[O-])cc1-2 ZINC001168523809 893756765 /nfs/dbraw/zinc/75/67/65/893756765.db2.gz SOVDGXYIFGNDAU-UHFFFAOYSA-N -1 3 382.807 3.869 20 10 GHCDHM CC(C)(O)[C@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000877836425 893839681 /nfs/dbraw/zinc/83/96/81/893839681.db2.gz WZTGVPXYBPCSNO-JTQLQIEISA-N -1 3 393.119 3.510 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c1[O-] ZINC000748051338 894607177 /nfs/dbraw/zinc/60/71/77/894607177.db2.gz QRVXKTNEYOMSQL-LJQANCHMSA-N -1 3 399.466 3.910 20 10 GHCDHM CCc1nc2c(s1)[C@H](N(C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CCC2 ZINC000774907112 914003487 /nfs/dbraw/zinc/00/34/87/914003487.db2.gz BKEUABOZQICQFR-CQSZACIVSA-N -1 3 377.466 3.837 20 10 GHCDHM Cc1cc([O-])c(CN[C@H](Cc2ccncc2)C(=O)OC(C)(C)C)cc1Cl ZINC000826538687 901493793 /nfs/dbraw/zinc/49/37/93/901493793.db2.gz IFPVPNYKGSDUIL-QGZVFWFLSA-N -1 3 376.884 3.792 20 10 GHCDHM CN1CCN(Cc2cc(Br)c(F)cc2[O-])C[C@H]1c1ccccc1 ZINC001144299570 901649739 /nfs/dbraw/zinc/64/97/39/901649739.db2.gz AOYJANPMXXZKHW-KRWDZBQOSA-N -1 3 379.273 3.783 20 10 GHCDHM Cc1ccc(O[C@H]2CCN(Cc3cc(Br)c(F)cc3[O-])C2)nc1 ZINC001144307949 901700736 /nfs/dbraw/zinc/70/07/36/901700736.db2.gz MPPASYKAKTXBFI-ZDUSSCGKSA-N -1 3 381.245 3.651 20 10 GHCDHM COc1c([O-])c(CNCc2cc(Cl)ccc2OC(F)F)ccc1[N+](=O)[O-] ZINC000775028601 914616389 /nfs/dbraw/zinc/61/63/89/914616389.db2.gz FIRMJMXKNYQHIS-UHFFFAOYSA-N -1 3 388.754 3.854 20 10 GHCDHM CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)c3cccc(O)c3[O-])cc2CC1 ZINC001148219164 904010053 /nfs/dbraw/zinc/01/00/53/904010053.db2.gz VNMPSPNWMUBPFK-UHFFFAOYSA-N -1 3 398.459 3.686 20 10 GHCDHM O=C(NC1(c2ccccc2C(F)(F)F)CCOCC1)c1cccc(O)c1[O-] ZINC001148224817 904010943 /nfs/dbraw/zinc/01/09/43/904010943.db2.gz VVZWWZWIEJNTNH-UHFFFAOYSA-N -1 3 381.350 3.552 20 10 GHCDHM O=C(CCc1nc2ccccc2[nH]1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001180592255 910261129 /nfs/dbraw/zinc/26/11/29/910261129.db2.gz YQZZYIHESLEIMK-UHFFFAOYSA-N -1 3 380.835 3.719 20 10 GHCDHM CC[C@H]([NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000903397478 922986904 /nfs/dbraw/zinc/98/69/04/922986904.db2.gz FIQYVEDKEGOLMT-RISCZKNCSA-N -1 3 383.279 3.514 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1[O-] ZINC000750043725 927402215 /nfs/dbraw/zinc/40/22/15/927402215.db2.gz XFRLGVMVEATRFG-CQSZACIVSA-N -1 3 396.915 3.937 20 10 GHCDHM COCCN1C(=O)c2ccccc2N[C@H]1c1cc(C)cc(Br)c1[O-] ZINC000781553620 930884443 /nfs/dbraw/zinc/88/44/43/930884443.db2.gz CDIJBDAHFMBLBX-QGZVFWFLSA-N -1 3 391.265 3.676 20 10 GHCDHM C[C@@H]1C[C@H](C)N(c2nnc(-c3sc4ncccc4c3[O-])n2C[C@H]2CCOC2)C1 ZINC001123030930 935061219 /nfs/dbraw/zinc/06/12/19/935061219.db2.gz OWHDMTGIZMASJC-HZSPNIEDSA-N -1 3 399.520 3.532 20 10 GHCDHM Cc1cc(Cn2c(-c3sc4ncccc4c3[O-])nnc2N2CCC[C@@H]2C)no1 ZINC001123843489 935305176 /nfs/dbraw/zinc/30/51/76/935305176.db2.gz IYAAQSBPELLPEL-NSHDSACASA-N -1 3 396.476 3.594 20 10 GHCDHM [O-]c1cccc(F)c1CN1Cc2c(cnn2CC2CC2)[C@@H](COCC2CC2)C1 ZINC001137835782 935815351 /nfs/dbraw/zinc/81/53/51/935815351.db2.gz NMDRSORSTUGNGS-QGZVFWFLSA-N -1 3 385.483 3.664 20 10 GHCDHM C[C@H](Oc1c(O)c([O-])ccc1C(=O)c1ccccc1)C(=O)OCc1ccccc1 ZINC001227941150 1032707399 /nfs/dbraw/zinc/70/73/99/1032707399.db2.gz RAOHBOXZBMAZCR-HNNXBMFYSA-N -1 3 392.407 3.840 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc(N=S2(=O)CCCC2)cc1 ZINC000931784666 1018051130 /nfs/dbraw/zinc/05/11/30/1018051130.db2.gz LTEPGZFXUWBDMQ-UHFFFAOYSA-N -1 3 377.441 3.746 20 10 GHCDHM CC(C)(C)OC(=O)N1CCC[C@]2(CN(Cc3c([O-])cccc3Cl)CCO2)C1 ZINC001140338043 1021441927 /nfs/dbraw/zinc/44/19/27/1021441927.db2.gz SMOHICISRMKQLV-FQEVSTJZSA-N -1 3 396.915 3.648 20 10 GHCDHM CCOC[C@H]1CN(Cc2c([O-])cccc2Cl)Cc2cnn(CC3CC3)c21 ZINC001140339647 1021447126 /nfs/dbraw/zinc/44/71/26/1021447126.db2.gz KIFHNKHFUQDGIY-MRXNPFEDSA-N -1 3 375.900 3.788 20 10 GHCDHM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2c([O-])cccc2Cl)CCC1(F)F ZINC001140341772 1021452040 /nfs/dbraw/zinc/45/20/40/1021452040.db2.gz HEKHEAIAQZSBPP-CQSZACIVSA-N -1 3 376.831 3.780 20 10 GHCDHM O=C1OC[C@@H]2[C@H](N(Cc3ccccc3)Cc3c([O-])cc(F)cc3F)CCCN12 ZINC001140583963 1022005386 /nfs/dbraw/zinc/00/53/86/1022005386.db2.gz ZVBGGCAIAMJOQS-RTBURBONSA-N -1 3 388.414 3.656 20 10 GHCDHM COCCOc1ncccc1CN[C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756433353 1023646797 /nfs/dbraw/zinc/64/67/97/1023646797.db2.gz XZGBWBWZDQIULE-NSHDSACASA-N -1 3 399.260 3.565 20 10 GHCDHM CC(C)(C)C(=O)N1CCN(Cc2c([O-])cccc2Br)C(C)(C)C1 ZINC001205100037 1033251158 /nfs/dbraw/zinc/25/11/58/1033251158.db2.gz CEJSUWPFPYENEU-UHFFFAOYSA-N -1 3 383.330 3.624 20 10 GHCDHM [O-]c1cccc(CNCc2ccc(N3CCSCC3)cc2)c1Br ZINC000838904841 1025429784 /nfs/dbraw/zinc/42/97/84/1025429784.db2.gz SZFGYCOLDVJYDO-UHFFFAOYSA-N -1 3 393.350 3.998 20 10 GHCDHM Cc1cccc(N2CCN(Cc3c([O-])ccc4c(C)cc(=O)oc43)CC2)c1C ZINC001139129318 1025942147 /nfs/dbraw/zinc/94/21/47/1025942147.db2.gz VWTILNXXQQOQRT-UHFFFAOYSA-N -1 3 378.472 3.746 20 10 GHCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCN(c2ccc(F)cc2C)CC1 ZINC001139132863 1025944859 /nfs/dbraw/zinc/94/48/59/1025944859.db2.gz BIHNVRFKVPSMFG-UHFFFAOYSA-N -1 3 382.435 3.577 20 10 GHCDHM CN(Cc1c([O-])cccc1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140101174 1026879940 /nfs/dbraw/zinc/87/99/40/1026879940.db2.gz LKRKTLPPFFADQI-GFCCVEGCSA-N -1 3 385.302 3.596 20 10 GHCDHM CC(C)(C)OC(=O)N1CCC2(CN(Cc3cc(Br)ccc3[O-])C2)C1 ZINC001203635836 1027494140 /nfs/dbraw/zinc/49/41/40/1027494140.db2.gz HWMAJBWSXDEDEU-UHFFFAOYSA-N -1 3 397.313 3.598 20 10 GHCDHM CCS(=O)(=O)c1cc(Cl)cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000840841497 1027873993 /nfs/dbraw/zinc/87/39/93/1027873993.db2.gz CKJLCCGFHPQVPF-LLVKDONJSA-N -1 3 398.868 3.598 20 10 GHCDHM [O-]c1cc(F)c(F)cc1CN1CCCN(c2ncccc2C(F)(F)F)CC1 ZINC001142524791 1029029523 /nfs/dbraw/zinc/02/95/23/1029029523.db2.gz KZSYGGUFRXSVKF-UHFFFAOYSA-N -1 3 387.352 3.797 20 10 GHCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cc(F)c(Br)c(F)c2)no1 ZINC001215325473 1029153579 /nfs/dbraw/zinc/15/35/79/1029153579.db2.gz WAHVTMZOVNVPAE-UHFFFAOYSA-N -1 3 385.120 3.561 20 10 GHCDHM Cc1cc(Br)cnc1-c1noc(-c2ccc([O-])c(O)c2Cl)n1 ZINC001216953792 1030026575 /nfs/dbraw/zinc/02/65/75/1030026575.db2.gz KBZBJJMDBGYUPF-UHFFFAOYSA-N -1 3 382.601 3.934 20 10 GHCDHM Cc1ccc([C@H](Cn2ccnc2)NC(=O)NCc2c([O-])cccc2F)c(C)c1 ZINC001224680508 1031077603 /nfs/dbraw/zinc/07/76/03/1031077603.db2.gz APZICZQJYVHEHG-IBGZPJMESA-N -1 3 382.439 3.585 20 10 GHCDHM O=C(COc1ccccc1NCc1cc(F)c(F)cc1[O-])Nc1cccnc1 ZINC001205229844 1033318694 /nfs/dbraw/zinc/31/86/94/1033318694.db2.gz IWAJXVIJZOZEAA-UHFFFAOYSA-N -1 3 385.370 3.695 20 10 GHCDHM Cc1ccc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)c([O-])c1O ZINC001159301305 1034531941 /nfs/dbraw/zinc/53/19/41/1034531941.db2.gz RDVXUUHBJGGCGT-UHFFFAOYSA-N -1 3 388.221 3.607 20 10 GHCDHM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1c([O-])cccc1Br ZINC001462071585 1069979928 /nfs/dbraw/zinc/97/99/28/1069979928.db2.gz NIGZHVHCUSZBGA-OLZOCXBDSA-N -1 3 399.329 3.984 20 10 GHCDHM CC(C)(C)c1cc([O-])c(CN2CCN(C(=O)c3ccco3)CC2)cc1Cl ZINC001248881025 1036220572 /nfs/dbraw/zinc/22/05/72/1036220572.db2.gz ONHYLILDURVLJN-UHFFFAOYSA-N -1 3 376.884 3.894 20 10 GHCDHM CCOC(=O)c1sc(-c2ccc([O-])c(CN3CCOC(C)(C)C3)c2)nc1C ZINC001232450748 1038233028 /nfs/dbraw/zinc/23/30/28/1038233028.db2.gz FIBCGHRMSJHDPD-UHFFFAOYSA-N -1 3 390.505 3.612 20 10 GHCDHM [O-]c1cc(I)ccc1CN1CCc2c(F)cccc2C1 ZINC001232977340 1038746762 /nfs/dbraw/zinc/74/67/62/1038746762.db2.gz ATPIHLFJWIJQER-UHFFFAOYSA-N -1 3 383.204 3.694 20 10 GHCDHM COc1ccc2c(c1)CN(Cc1ccc(I)cc1[O-])C2 ZINC001232978745 1038748070 /nfs/dbraw/zinc/74/80/70/1038748070.db2.gz MVTVSBHQADFXCM-UHFFFAOYSA-N -1 3 381.213 3.521 20 10 GHCDHM COc1c([O-])c(CN2CC(Cc3c(F)cccc3Cl)C2)ccc1[N+](=O)[O-] ZINC001462318923 1070167380 /nfs/dbraw/zinc/16/73/80/1070167380.db2.gz BVWLNJNGPLPZKL-UHFFFAOYSA-N -1 3 380.803 3.776 20 10 GHCDHM COc1cc([O-])c(CN2CCOC[C@H]2c2csc(C)n2)cc1Br ZINC001233136825 1038917837 /nfs/dbraw/zinc/91/78/37/1038917837.db2.gz CUFWCYAPFLXGST-AWEZNQCLSA-N -1 3 399.310 3.502 20 10 GHCDHM COc1cc([O-])c(CN2CCCc3cc(O)c(O)cc3C2)cc1Br ZINC001233141209 1038920300 /nfs/dbraw/zinc/92/03/00/1038920300.db2.gz FZIKJWDYMFYSRV-UHFFFAOYSA-N -1 3 394.265 3.523 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2[O-])C1)c1ccc(F)cc1 ZINC001233419748 1039283006 /nfs/dbraw/zinc/28/30/06/1039283006.db2.gz LCFMACXVVFPRDL-MRXNPFEDSA-N -1 3 396.384 3.945 20 10 GHCDHM O=c1c2cc(O)c([O-])cc2oc2cc([O-])cc(O[C@@H]3CCc4ccccc4C3)c12 ZINC001234749370 1040275243 /nfs/dbraw/zinc/27/52/43/1040275243.db2.gz RPINJVKQBUHKDR-OAHLLOKOSA-N -1 3 390.391 3.999 20 10 GHCDHM O=c1c2cc(O)c(O)cc2oc2cc([O-])cc(O[C@@H]3CCc4ccccc4C3)c12 ZINC001234749370 1040275263 /nfs/dbraw/zinc/27/52/63/1040275263.db2.gz RPINJVKQBUHKDR-OAHLLOKOSA-N -1 3 390.391 3.999 20 10 GHCDHM Cc1cccc(N2CCCN(Cc3cc(F)cc(Br)c3[O-])CC2)n1 ZINC001235306222 1040777584 /nfs/dbraw/zinc/77/75/84/1040777584.db2.gz SHSLTQRSESOTIW-UHFFFAOYSA-N -1 3 394.288 3.710 20 10 GHCDHM CCc1nnc(C2CCN(Cc3cc(C)cc(Br)c3[O-])CC2)o1 ZINC001236669611 1041817729 /nfs/dbraw/zinc/81/77/29/1041817729.db2.gz PHUOVRPUONKBCK-UHFFFAOYSA-N -1 3 380.286 3.788 20 10 GHCDHM CCN(C)c1ncnc2c1CCN(Cc1cc(Cl)c(Cl)cc1[O-])CC2 ZINC001236789865 1041895457 /nfs/dbraw/zinc/89/54/57/1041895457.db2.gz KLYQZSKVJLAHMJ-UHFFFAOYSA-N -1 3 381.307 3.546 20 10 GHCDHM COc1ccc(CN2CCC(NC(=O)c3ccc(F)cc3)CC2)c([O-])c1Cl ZINC001236810615 1041910327 /nfs/dbraw/zinc/91/03/27/1041910327.db2.gz VSQNFCTVPULMOY-UHFFFAOYSA-N -1 3 392.858 3.588 20 10 GHCDHM COc1ccc(CN2CCC(n3c(=O)oc4ccccc43)CC2)c([O-])c1Cl ZINC001236812101 1041911553 /nfs/dbraw/zinc/91/15/53/1041911553.db2.gz RIXZYIMWALGISU-UHFFFAOYSA-N -1 3 388.851 3.799 20 10 GHCDHM [O-]c1ccc(Cl)c(Cl)c1CN1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC001237081860 1042027378 /nfs/dbraw/zinc/02/73/78/1042027378.db2.gz VEFRLKZFVVQQSM-YJYMSZOUSA-N -1 3 395.286 3.621 20 10 GHCDHM Cc1cc([O-])c(CN2CCO[C@@H](Cc3ccccc3)C2)cc1Br ZINC001237682738 1042323676 /nfs/dbraw/zinc/32/36/76/1042323676.db2.gz SFKSSVMRZODQJO-KRWDZBQOSA-N -1 3 376.294 3.907 20 10 GHCDHM [O-]c1c(CN2CCC[C@@H](CCO)C2)cc(Br)cc1C(F)(F)F ZINC001237791593 1042371766 /nfs/dbraw/zinc/37/17/66/1042371766.db2.gz KGCJOHVWUKHSTO-JTQLQIEISA-N -1 3 382.220 3.768 20 10 GHCDHM [O-]c1c(CN2CC[C@@H]3OCC[C@@H]3C2)cc(Br)cc1C(F)(F)F ZINC001237792148 1042372406 /nfs/dbraw/zinc/37/24/06/1042372406.db2.gz PTQJURQBZUIFMR-RNCFNFMXSA-N -1 3 380.204 3.784 20 10 GHCDHM O=C1NC2(C[C@H]1c1ccccc1)CCN(Cc1cc(F)cc(Cl)c1[O-])CC2 ZINC001237812208 1042381283 /nfs/dbraw/zinc/38/12/83/1042381283.db2.gz FALCUNNHDXWWMZ-KRWDZBQOSA-N -1 3 388.870 3.823 20 10 GHCDHM [O-]c1cc(Cl)c(F)cc1CN1CCC2(CCCN2c2ncccn2)CC1 ZINC001237939303 1042429661 /nfs/dbraw/zinc/42/96/61/1042429661.db2.gz VVJBBTZANSYTEW-UHFFFAOYSA-N -1 3 376.863 3.610 20 10 GHCDHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256951461 1043770373 /nfs/dbraw/zinc/77/03/73/1043770373.db2.gz JRUJPHCCCGVOID-UHFFFAOYSA-N -1 3 385.383 3.857 20 10 GHCDHM O=S(=O)([N-]Cc1cc2ccccc2cc1O)c1ccc(Br)s1 ZINC001259061533 1044941991 /nfs/dbraw/zinc/94/19/91/1044941991.db2.gz OPAWAONWACBIJQ-UHFFFAOYSA-N -1 3 398.303 3.848 20 10 GHCDHM CC(C)(C)OC(=O)N1Cc2ccc(C(=O)NCc3c([O-])cccc3F)cc2C1 ZINC001303875582 1047526637 /nfs/dbraw/zinc/52/66/37/1047526637.db2.gz KWKZWEHVXXHEHN-UHFFFAOYSA-N -1 3 386.423 3.712 20 10 GHCDHM Cc1ncsc1CN1CC2(C1)CCCN(Cc1c([O-])ccc(F)c1F)C2 ZINC001279488478 1047822793 /nfs/dbraw/zinc/82/27/93/1047822793.db2.gz IYYYDEJFAXCHQL-UHFFFAOYSA-N -1 3 379.476 3.533 20 10 GHCDHM CC(C)NC(=O)N1CC2(C1)CCN(Cc1cc(Cl)c(Cl)cc1[O-])CC2 ZINC001279664917 1047905062 /nfs/dbraw/zinc/90/50/62/1047905062.db2.gz FXDSJJMXXBHENK-UHFFFAOYSA-N -1 3 386.323 3.715 20 10 GHCDHM CC[C@H]1CCCN1c1nnc(-c2sc3ncccc3c2[O-])n1C[C@@H]1CCOC1 ZINC001345194207 1054934230 /nfs/dbraw/zinc/93/42/30/1054934230.db2.gz PFHLGMZGDHCWNA-KBPBESRZSA-N -1 3 399.520 3.676 20 10 GHCDHM CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NCc2c([O-])cccc2F)CC1=O ZINC001456090555 1062477381 /nfs/dbraw/zinc/47/73/81/1062477381.db2.gz LYGWGNXVFAWVRJ-LSDHHAIUSA-N -1 3 384.451 3.714 20 10 GHCDHM COC(=O)c1cnc(SCC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)[n-]1 ZINC001459032002 1063985415 /nfs/dbraw/zinc/98/54/15/1063985415.db2.gz JMOVNNBGSOQNJY-UHFFFAOYSA-N -1 3 383.473 3.887 20 10 GHCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@]2(CCSC2)C1 ZINC001351381800 1064419974 /nfs/dbraw/zinc/41/99/74/1064419974.db2.gz BGJHUGPPBWCKCZ-SFHVURJKSA-N -1 3 387.534 3.521 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC([C@H]2CCOC2)CC1 ZINC001353729886 1066202097 /nfs/dbraw/zinc/20/20/97/1066202097.db2.gz VYLKMFMUXXJYBX-AWEZNQCLSA-N -1 3 399.520 3.533 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2ccc3c(c2)CCN(C)C3=O)c1 ZINC000849347291 1067813725 /nfs/dbraw/zinc/81/37/25/1067813725.db2.gz BBFBQAFAQUJICH-UHFFFAOYSA-N -1 3 375.266 3.703 20 10 GHCDHM CCCOc1ccc(CC(=O)NCc2c([O-])cccc2F)cc1OCCC ZINC001471975791 1073288813 /nfs/dbraw/zinc/28/88/13/1073288813.db2.gz HOXWXRCGBSLDKY-UHFFFAOYSA-N -1 3 375.440 3.968 20 10 GHCDHM CC(C)(C)OC(=O)Nc1cccc2c1CCN(C(=O)c1cccc(O)c1[O-])C2 ZINC001472219830 1073373223 /nfs/dbraw/zinc/37/32/23/1073373223.db2.gz FOLJHIAQWCEAPZ-UHFFFAOYSA-N -1 3 384.432 3.643 20 10 GHCDHM CCc1ccc(C=C2SC(=S)N(c3ccccc3-c3nnn[n-]3)C2=O)s1 ZINC000736682125 598541769 /nfs/dbraw/zinc/54/17/69/598541769.db2.gz GLMSWWNWQBOAGQ-ZROIWOOFSA-N -1 3 399.526 3.896 20 10 GHCDHM CCc1ccc(C=C2SC(=S)N(c3ccccc3-c3nn[n-]n3)C2=O)s1 ZINC000736682125 598541770 /nfs/dbraw/zinc/54/17/70/598541770.db2.gz GLMSWWNWQBOAGQ-ZROIWOOFSA-N -1 3 399.526 3.896 20 10 GHCDHM Cc1cc(C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737238367 598609847 /nfs/dbraw/zinc/60/98/47/598609847.db2.gz LUWGBPQURZPLOO-UHFFFAOYSA-N -1 3 376.395 3.666 20 10 GHCDHM CC[C@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)C1 ZINC000736402530 598610143 /nfs/dbraw/zinc/61/01/43/598610143.db2.gz NGZDJLZAXUNKKT-INIZCTEOSA-N -1 3 378.480 3.536 20 10 GHCDHM Cc1cc(C(=O)N(C)c2ccc(F)cc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737226515 598610249 /nfs/dbraw/zinc/61/02/49/598610249.db2.gz BEVYZZCVBNQPBM-UHFFFAOYSA-N -1 3 390.422 3.690 20 10 GHCDHM CCC[C@H]1SCCN1C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736435675 599384343 /nfs/dbraw/zinc/38/43/43/599384343.db2.gz NBYYNKMSUFKDQK-GOSISDBHSA-N -1 3 396.520 3.589 20 10 GHCDHM COc1ccc2ccc([O-])c(C[N@H+](CC(=O)[O-])Cc3ccc(F)c(F)c3)c2c1 ZINC000738078488 599854793 /nfs/dbraw/zinc/85/47/93/599854793.db2.gz HSBUCHJLBZBEBA-UHFFFAOYSA-N -1 3 387.382 3.919 20 10 GHCDHM COc1ccc2ccc([O-])c(C[N@@H+](CC(=O)[O-])Cc3ccc(F)c(F)c3)c2c1 ZINC000738078488 599854794 /nfs/dbraw/zinc/85/47/94/599854794.db2.gz HSBUCHJLBZBEBA-UHFFFAOYSA-N -1 3 387.382 3.919 20 10 GHCDHM CCc1ncsc1NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825754516 607629891 /nfs/dbraw/zinc/62/98/91/607629891.db2.gz ATECVUHITNXSSY-UHFFFAOYSA-N -1 3 393.476 3.545 20 10 GHCDHM CCc1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)s3)SC2=S)cc1 ZINC000821486252 606393198 /nfs/dbraw/zinc/39/31/98/606393198.db2.gz AUKSFUINSGWDNC-NTEUORMPSA-N -1 3 399.526 3.896 20 10 GHCDHM CCCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000150865494 852491313 /nfs/dbraw/zinc/49/13/13/852491313.db2.gz QPCPHOQAQSFXHL-UHFFFAOYSA-N -1 3 396.534 3.646 20 10 GHCDHM COC(=O)CN(Cc1nc2cc(F)ccc2o1)Cc1cc(Cl)ccc1[O-] ZINC000151279654 853255257 /nfs/dbraw/zinc/25/52/57/853255257.db2.gz MJAUKYJERYSQOG-UHFFFAOYSA-N -1 3 378.787 3.501 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cnn(Cc3ccc(OC)cc3)c2)c1 ZINC000793564295 882273472 /nfs/dbraw/zinc/27/34/72/882273472.db2.gz LUVAXJPARYQVPH-CQSZACIVSA-N -1 3 381.432 3.605 20 10 GHCDHM Cn1cncc1-c1cccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001194916419 872029242 /nfs/dbraw/zinc/02/92/42/872029242.db2.gz AXIYUVQKOPBONM-UHFFFAOYSA-N -1 3 392.846 3.924 20 10 GHCDHM [O-]c1ccc(Cl)cc1CN1CCN(c2ccc(Br)cn2)CC1 ZINC000768252965 873193160 /nfs/dbraw/zinc/19/31/60/873193160.db2.gz SUJZKHBXTOJTQQ-UHFFFAOYSA-N -1 3 382.689 3.525 20 10 GHCDHM COC(=O)CN(Cc1cnc([C@H]2CCCO2)s1)Cc1cc(Cl)ccc1[O-] ZINC000769379508 874007081 /nfs/dbraw/zinc/00/70/81/874007081.db2.gz AXSAPDWAPXGOJD-MRXNPFEDSA-N -1 3 396.896 3.529 20 10 GHCDHM CC[C@@H](NCc1c([O-])cccc1Br)c1nnc2n1CCCCC2 ZINC000858122250 882862671 /nfs/dbraw/zinc/86/26/71/882862671.db2.gz FQJIYPOTFQIOGG-CQSZACIVSA-N -1 3 379.302 3.714 20 10 GHCDHM CCO[C@H](C)c1nc(CN2CCN(Cc3cc(Cl)ccc3[O-])CC2)cs1 ZINC000093737022 912407504 /nfs/dbraw/zinc/40/75/04/912407504.db2.gz ZTRDSWRPHMGFOK-CQSZACIVSA-N -1 3 395.956 3.917 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1nc(Cl)cs1 ZINC000789995324 879385081 /nfs/dbraw/zinc/38/50/81/879385081.db2.gz GSTDQBZJQFCOME-GFCCVEGCSA-N -1 3 386.304 3.550 20 10 GHCDHM O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1cccc(O)c1[O-] ZINC000790926243 880067789 /nfs/dbraw/zinc/06/77/89/880067789.db2.gz IUUXEGAJZOPKAR-UHFFFAOYSA-N -1 3 395.286 3.799 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000790930923 880072134 /nfs/dbraw/zinc/07/21/34/880072134.db2.gz QZIIZRPYDPVLLU-MRXNPFEDSA-N -1 3 379.416 3.905 20 10 GHCDHM O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792164507 880956911 /nfs/dbraw/zinc/95/69/11/880956911.db2.gz JVYYQEWNVHLLAG-CYBMUJFWSA-N -1 3 381.810 3.720 20 10 GHCDHM Cc1ccnc(CNCc2cc(Br)cc(Br)c2[O-])c1 ZINC001183596928 912671623 /nfs/dbraw/zinc/67/16/23/912671623.db2.gz FZRNMIVNAFARSQ-UHFFFAOYSA-N -1 3 386.087 3.910 20 10 GHCDHM CN1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])[C@@H]1c1ccccc1 ZINC000805235607 883679803 /nfs/dbraw/zinc/67/98/03/883679803.db2.gz DMUYOPSEYFJYQQ-SJORKVTESA-N -1 3 394.302 3.944 20 10 GHCDHM [O-]c1c(Cl)cccc1CN1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191685730 884212763 /nfs/dbraw/zinc/21/27/63/884212763.db2.gz BWISFPFGCIFGQK-UHFFFAOYSA-N -1 3 392.834 3.628 20 10 GHCDHM CN(C)[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-])c1cccs1 ZINC000806299664 884543562 /nfs/dbraw/zinc/54/35/62/884543562.db2.gz DUMWSGOFFNBXTB-CYBMUJFWSA-N -1 3 388.320 3.863 20 10 GHCDHM CN(C)[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-])c1ccccc1 ZINC000806288625 884567755 /nfs/dbraw/zinc/56/77/55/884567755.db2.gz RFJISDILIYUUKQ-MRXNPFEDSA-N -1 3 382.291 3.801 20 10 GHCDHM CC(C)(C)OC(=O)NC1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000154868584 884711300 /nfs/dbraw/zinc/71/13/00/884711300.db2.gz ZKRBNDVPACOECC-UHFFFAOYSA-N -1 3 385.302 3.644 20 10 GHCDHM CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1c([O-])cccc1Br ZINC000862224301 886221860 /nfs/dbraw/zinc/22/18/60/886221860.db2.gz JDJYBFMIAZKZDP-UHFFFAOYSA-N -1 3 389.293 3.679 20 10 GHCDHM C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1cccc(O)c1[O-] ZINC000863368922 887063362 /nfs/dbraw/zinc/06/33/62/887063362.db2.gz OJHRNUFMLFCTCY-AAEUAGOBSA-N -1 3 376.250 3.879 20 10 GHCDHM CCc1ccc(CN(C)Cc2cc(C(C)=O)cc(CN3CCOCC3)c2[O-])cc1 ZINC000915807875 887466840 /nfs/dbraw/zinc/46/68/40/887466840.db2.gz OXOFQTNVVWYFJZ-UHFFFAOYSA-N -1 3 396.531 3.621 20 10 GHCDHM CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2Cc3ccccc3[C@H](C)C2)c1 ZINC000915838906 887686646 /nfs/dbraw/zinc/68/66/46/887686646.db2.gz RBAAMXQZTFJYKV-QGZVFWFLSA-N -1 3 394.515 3.546 20 10 GHCDHM CN(Cc1nc(-c2cccs2)no1)Cc1cc(Br)ccc1[O-] ZINC000809689656 887707996 /nfs/dbraw/zinc/70/79/96/887707996.db2.gz SVESPTJOPPRGRJ-UHFFFAOYSA-N -1 3 380.267 3.898 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c1[O-] ZINC000287433455 913331902 /nfs/dbraw/zinc/33/19/02/913331902.db2.gz PSYSEMIXMOQTTO-DLBZAZTESA-N -1 3 389.427 3.696 20 10 GHCDHM COc1c([O-])c(CN(C)Cc2cc(Br)ccc2F)ccc1[N+](=O)[O-] ZINC000774836661 913705007 /nfs/dbraw/zinc/70/50/07/913705007.db2.gz UQYSBMCEAIORHZ-UHFFFAOYSA-N -1 3 399.216 3.843 20 10 GHCDHM Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)c1cn[n-]n1 ZINC000918323948 893520764 /nfs/dbraw/zinc/52/07/64/893520764.db2.gz RHQWEELFRGLYMM-HNNXBMFYSA-N -1 3 389.381 3.730 20 10 GHCDHM CN1CCO[C@@H]([C@@H](NCc2cc(Cl)c(F)cc2[O-])c2ccc(Cl)cc2)C1 ZINC000816559889 894944123 /nfs/dbraw/zinc/94/41/23/894944123.db2.gz YEUACOHJKPYSML-MOPGFXCFSA-N -1 3 399.293 4.000 20 10 GHCDHM O=C([O-])c1cnn2c1[nH]c(CN1CCCCC[C@@H]1/C=C/c1ccccc1)cc2=O ZINC000846257579 902831447 /nfs/dbraw/zinc/83/14/47/902831447.db2.gz SCSDFXACOIIUAH-DOJUMQAQSA-N -1 3 392.459 3.591 20 10 GHCDHM COc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)c2cccc(O)c2[O-])cc1 ZINC001148211922 904007758 /nfs/dbraw/zinc/00/77/58/904007758.db2.gz COOZNCUZYNGTIZ-UHFFFAOYSA-N -1 3 381.432 3.842 20 10 GHCDHM O=C(Nc1cccc(OCc2cn3ccccc3n2)c1)c1cccc(O)c1[O-] ZINC000188421252 904919628 /nfs/dbraw/zinc/91/96/28/904919628.db2.gz UGMMYAUJXXPSPO-UHFFFAOYSA-N -1 3 375.384 3.577 20 10 GHCDHM CN(C)c1ccc(CN2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)cc1 ZINC001175484681 907571377 /nfs/dbraw/zinc/57/13/77/907571377.db2.gz LDSHZJCVWAXTCP-INIZCTEOSA-N -1 3 391.437 3.925 20 10 GHCDHM CCOc1ccc(-c2cn(C3CN(Cc4ccc(Cl)cc4[O-])C3)nn2)cc1 ZINC001180622907 910252708 /nfs/dbraw/zinc/25/27/08/910252708.db2.gz KPYRVACVBFMWAB-UHFFFAOYSA-N -1 3 384.867 3.760 20 10 GHCDHM O=C(Cc1c[nH]c2ccc(O)cc12)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001180662547 910290856 /nfs/dbraw/zinc/29/08/56/910290856.db2.gz KOIHRMWNSLDOGM-UHFFFAOYSA-N -1 3 381.819 3.640 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccnc(Br)c1 ZINC001188621395 916087149 /nfs/dbraw/zinc/08/71/49/916087149.db2.gz QSKKDTXDJYZNMU-UHFFFAOYSA-N -1 3 392.640 3.681 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1[O-] ZINC000750047288 927404076 /nfs/dbraw/zinc/40/40/76/927404076.db2.gz MKKNSOROBBBEFJ-YVEFUNNKSA-N -1 3 396.915 3.983 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000757588567 929736211 /nfs/dbraw/zinc/73/62/11/929736211.db2.gz DOOUKRJJHYBJSH-JYJNAYRXSA-N -1 3 384.476 3.966 20 10 GHCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cc(C(=O)NCC3CC3)ccc2C)c1 ZINC000784068368 931773984 /nfs/dbraw/zinc/77/39/84/931773984.db2.gz ZQQLJFBJMRUFAJ-CQSZACIVSA-N -1 3 382.460 3.800 20 10 GHCDHM C[C@@H](NCc1nc2c(s1)COCC2)c1cc(Br)c(F)cc1[O-] ZINC000927122980 932422149 /nfs/dbraw/zinc/42/21/49/932422149.db2.gz YPNOVIUSEGOKIJ-MRVPVSSYSA-N -1 3 387.274 3.674 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2cccc(Br)c2)CC1 ZINC000799086804 932872827 /nfs/dbraw/zinc/87/28/27/932872827.db2.gz HYCVILYZBQTHCT-UHFFFAOYSA-N -1 3 376.250 3.880 20 10 GHCDHM C[C@H]([NH2+][C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593220173 994308795 /nfs/dbraw/zinc/30/87/95/994308795.db2.gz QZJMEPJRILDBRI-GUYCJALGSA-N -1 3 390.480 3.531 20 10 GHCDHM C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246749 994457592 /nfs/dbraw/zinc/45/75/92/994457592.db2.gz OKZZMFDNENJMGP-JSGCOSHPSA-N -1 3 397.393 3.611 20 10 GHCDHM COc1cc(O[C@H](C)C2CCOCC2)c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O ZINC001227394601 1032402778 /nfs/dbraw/zinc/40/27/78/1032402778.db2.gz CYTPUAYLVSDZMS-CYBMUJFWSA-N -1 3 396.439 3.679 20 10 GHCDHM CCOC(=O)[C@H]1CCC[C@H](Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)C1 ZINC001227939899 1032707221 /nfs/dbraw/zinc/70/72/21/1032707221.db2.gz FTXCMMAOQVFBDR-HOTGVXAUSA-N -1 3 384.428 3.830 20 10 GHCDHM CCn1ncc2c1CN(Cc1c([O-])cccc1Cl)C[C@@H]2COCC1CC1 ZINC001140338363 1021444802 /nfs/dbraw/zinc/44/48/02/1021444802.db2.gz GVRLLFKLUSJSJX-OAHLLOKOSA-N -1 3 375.900 3.788 20 10 GHCDHM CCOCc1nn(CC2CC2)c2c1CN(Cc1ccc(Cl)cc1[O-])CC2 ZINC001140462417 1021754437 /nfs/dbraw/zinc/75/44/37/1021754437.db2.gz GEBRANSJBJBRDQ-UHFFFAOYSA-N -1 3 375.900 3.747 20 10 GHCDHM [O-]c1cc(Cl)ccc1CN1CCO[C@@H]2[C@H](COCc3cccnc3)CC[C@@H]21 ZINC001140464783 1021757643 /nfs/dbraw/zinc/75/76/43/1021757643.db2.gz BIOMYQCURBFUOF-HFSMHLIXSA-N -1 3 388.895 3.637 20 10 GHCDHM C[C@@H](NCc1nccn1CC(F)(F)F)c1cc(Br)c(F)cc1[O-] ZINC000756539251 1023704263 /nfs/dbraw/zinc/70/42/63/1023704263.db2.gz KYSLESZBVANZPD-MRVPVSSYSA-N -1 3 396.182 3.903 20 10 GHCDHM COc1cc(N(C)Cc2cccc([O-])c2Br)cc(OC)c1OC ZINC000839003306 1025510354 /nfs/dbraw/zinc/51/03/54/1025510354.db2.gz JUMPVIGISBOFMD-UHFFFAOYSA-N -1 3 382.254 3.817 20 10 GHCDHM [O-]c1ccc(Cl)c(F)c1CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839143778 1025637975 /nfs/dbraw/zinc/63/79/75/1025637975.db2.gz CABJPOUBNPNOKC-UHFFFAOYSA-N -1 3 386.801 3.589 20 10 GHCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1C[C@@H]2C[C@H](C1)c1cc3nccnc3cc12 ZINC001139132591 1025944299 /nfs/dbraw/zinc/94/42/99/1025944299.db2.gz XNEKFPXWCITRLK-GASCZTMLSA-N -1 3 399.450 3.837 20 10 GHCDHM [O-]c1cccc(Br)c1CN1CCN(c2nccc3occc32)CC1 ZINC001140101480 1026880771 /nfs/dbraw/zinc/88/07/71/1026880771.db2.gz UZEWKVCTZIIOFI-UHFFFAOYSA-N -1 3 388.265 3.618 20 10 GHCDHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1CN2Cc1c([O-])cccc1Br ZINC001140102435 1026882756 /nfs/dbraw/zinc/88/27/56/1026882756.db2.gz QVBLEDYDLBTJFY-STQMWFEESA-N -1 3 397.313 3.738 20 10 GHCDHM CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCCN2Cc1cc(Br)ccc1[O-] ZINC001203639718 1027497746 /nfs/dbraw/zinc/49/77/46/1027497746.db2.gz IRVLPVIBPOUTDT-GJZGRUSLSA-N -1 3 397.313 3.738 20 10 GHCDHM O=C(CCc1ccc2c(c1)OCO2)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001142984265 1029756256 /nfs/dbraw/zinc/75/62/56/1029756256.db2.gz ZYAZKWITWFUAKZ-UHFFFAOYSA-N -1 3 384.819 3.572 20 10 GHCDHM Cc1nc2ccccc2nc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001150868533 1030691562 /nfs/dbraw/zinc/69/15/62/1030691562.db2.gz IFEGYAWRQLPUMM-UHFFFAOYSA-N -1 3 378.819 3.775 20 10 GHCDHM Nc1ccc2cc(C(=O)NCc3cc(Cl)c4cccnc4c3[O-])cnc2c1 ZINC001220214772 1031840952 /nfs/dbraw/zinc/84/09/52/1031840952.db2.gz HUSHDBHJADFJCG-UHFFFAOYSA-N -1 3 378.819 3.654 20 10 GHCDHM [O-]c1cccc(F)c1CNCc1c(F)ccc(I)c1F ZINC001207621301 1034493183 /nfs/dbraw/zinc/49/31/83/1034493183.db2.gz DLTSCXBQQZTYLG-UHFFFAOYSA-N -1 3 393.146 3.704 20 10 GHCDHM CC[C@@H](C)N1CC[C@@]2(CCCN2Cc2cc(C)cc(Br)c2[O-])C1=O ZINC001277541777 1034762187 /nfs/dbraw/zinc/76/21/87/1034762187.db2.gz ZIEVCVUPVBWVNK-KUHUBIRLSA-N -1 3 395.341 3.829 20 10 GHCDHM COC(=O)[C@H]1[C@@H](c2ccccc2)OCCN1Cc1ccc2ccccc2c1[O-] ZINC001231882924 1034966006 /nfs/dbraw/zinc/96/60/06/1034966006.db2.gz DJMJACIDLNXJAG-IFMALSPDSA-N -1 3 377.440 3.661 20 10 GHCDHM COc1cc([O-])c(CN2Cc3cccc(C)c3C2)cc1I ZINC001248462093 1035887368 /nfs/dbraw/zinc/88/73/68/1035887368.db2.gz MQHPLQKZBDPIGW-UHFFFAOYSA-N -1 3 395.240 3.830 20 10 GHCDHM Cc1cc(N2CCN(Cc3cc(Cl)c([O-])cc3O)CC2)n(-c2ccccc2)n1 ZINC001232263999 1037984613 /nfs/dbraw/zinc/98/46/13/1037984613.db2.gz XXOBOEAFQUNBCD-UHFFFAOYSA-N -1 3 398.894 3.568 20 10 GHCDHM COc1cc([O-])c(CN2CCC[C@H]3[C@H]2CN3C(=O)OC(C)(C)C)cc1Cl ZINC001232269048 1037991545 /nfs/dbraw/zinc/99/15/45/1037991545.db2.gz ZRADNESHSGFOGJ-LSDHHAIUSA-N -1 3 382.888 3.638 20 10 GHCDHM CN(CCCC(=O)c1cccnc1)Cc1c([O-])cc(Br)cc1F ZINC001233032183 1038786645 /nfs/dbraw/zinc/78/66/45/1038786645.db2.gz VNVCJVUWNCHZSA-UHFFFAOYSA-N -1 3 381.245 3.784 20 10 GHCDHM COc1cc([O-])c(CN2CCC(Oc3ccccn3)CC2)cc1Br ZINC001233139859 1038919305 /nfs/dbraw/zinc/91/93/05/1038919305.db2.gz RWWJVAIRFJXDTI-UHFFFAOYSA-N -1 3 393.281 3.602 20 10 GHCDHM COc1cc([O-])c(CN2CCOC[C@H]2c2ccc(F)cc2)cc1Br ZINC001233143106 1038922207 /nfs/dbraw/zinc/92/22/07/1038922207.db2.gz WYSWRBLKYSNDEK-INIZCTEOSA-N -1 3 396.256 3.876 20 10 GHCDHM COC(=O)c1cc(Br)c([O-])c(CN(C)Cc2cccc(F)c2)c1 ZINC001233306311 1039098600 /nfs/dbraw/zinc/09/86/00/1039098600.db2.gz MNHOTUQVRCREQB-UHFFFAOYSA-N -1 3 382.229 3.712 20 10 GHCDHM CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1Cc1c([O-])ccc(F)c1F ZINC001233335120 1039137514 /nfs/dbraw/zinc/13/75/14/1039137514.db2.gz IAKYEZFECRYXFZ-VBQJREDUSA-N -1 3 380.479 3.966 20 10 GHCDHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cccc(C(F)(F)F)c3[O-])[C@@H]2C1 ZINC001233416405 1039271350 /nfs/dbraw/zinc/27/13/50/1039271350.db2.gz GYCCWQVSWMRMDH-IUODEOHRSA-N -1 3 386.414 3.852 20 10 GHCDHM CCCCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(OC)c(Cl)c1[O-] ZINC001277834589 1039876977 /nfs/dbraw/zinc/87/69/77/1039876977.db2.gz RATKZTMVZJQNNK-FQEVSTJZSA-N -1 3 380.916 3.811 20 10 GHCDHM CC(C)(C)[NH+]1CCC(Oc2cc([O-])cc3oc4cc([O-])c(O)cc4c(=O)c23)CC1 ZINC001234753844 1040282709 /nfs/dbraw/zinc/28/27/09/1040282709.db2.gz RWLQSAGQBYPHCM-UHFFFAOYSA-N -1 3 399.443 3.705 20 10 GHCDHM CN1CCN(Cc2cc(Br)cc(F)c2[O-])[C@@H](c2ccccc2)C1 ZINC001235057759 1040548641 /nfs/dbraw/zinc/54/86/41/1040548641.db2.gz SJICYZYTTCRLCF-QGZVFWFLSA-N -1 3 379.273 3.783 20 10 GHCDHM [O-]c1c(Br)cc(F)cc1CN1CCN(CCc2cccs2)CC1 ZINC001235302331 1040774407 /nfs/dbraw/zinc/77/44/07/1040774407.db2.gz PDLRABDUMXHZKV-UHFFFAOYSA-N -1 3 399.329 3.716 20 10 GHCDHM Cc1noc([C@H]2C[C@@H]3CCN(Cc4cc(Cl)c(Cl)cc4[O-])C[C@H]3O2)n1 ZINC001236790950 1041896946 /nfs/dbraw/zinc/89/69/46/1041896946.db2.gz WTDKSRFAUSOUER-AMKSKSKJSA-N -1 3 384.263 3.743 20 10 GHCDHM COc1ccc(CN2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)c([O-])c1Cl ZINC001236803114 1041905193 /nfs/dbraw/zinc/90/51/93/1041905193.db2.gz FNKNANPPMHDZKV-CQSZACIVSA-N -1 3 392.931 3.668 20 10 GHCDHM COc1cc([O-])c(CN2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)c(Cl)c1 ZINC001236804922 1041906444 /nfs/dbraw/zinc/90/64/44/1041906444.db2.gz CLDNGGAFPRTNCR-OAHLLOKOSA-N -1 3 392.858 3.588 20 10 GHCDHM COc1ccc(CN2C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]2C)c([O-])c1Cl ZINC001236812254 1041912173 /nfs/dbraw/zinc/91/21/73/1041912173.db2.gz UIIBLEKIJRXZIX-OCCSQVGLSA-N -1 3 384.904 3.932 20 10 GHCDHM COc1cc([O-])c(CN2CCN(c3ccc(C)cc3)CC2)c(Br)c1 ZINC001237061403 1042016144 /nfs/dbraw/zinc/01/61/44/1042016144.db2.gz FPTTURXVAPSECK-UHFFFAOYSA-N -1 3 391.309 3.794 20 10 GHCDHM COc1cc([O-])c(CN2CCO[C@H](c3ccccc3)C2)c(Br)c1 ZINC001237072164 1042022489 /nfs/dbraw/zinc/02/24/89/1042022489.db2.gz DJCHVMJVXGWODK-SFHVURJKSA-N -1 3 378.266 3.737 20 10 GHCDHM Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3c([O-])ccc(Cl)c3Cl)O2)n1 ZINC001237079949 1042025015 /nfs/dbraw/zinc/02/50/15/1042025015.db2.gz HRVHSUPQZDNCEQ-YUELXQCFSA-N -1 3 384.263 3.885 20 10 GHCDHM O=C1NC2(C[C@@H]1c1ccccc1)CCN(Cc1c([O-])ccc(F)c1Cl)CC2 ZINC001237123326 1042050712 /nfs/dbraw/zinc/05/07/12/1042050712.db2.gz CMZWOALUTBFXLB-OAHLLOKOSA-N -1 3 388.870 3.823 20 10 GHCDHM CO[C@@H](CN1CCN(Cc2c([O-])ccc(F)c2Cl)CC1)c1ccccc1 ZINC001237127579 1042054088 /nfs/dbraw/zinc/05/40/88/1042054088.db2.gz CXDCXVTXPMSFEA-IBGZPJMESA-N -1 3 378.875 3.690 20 10 GHCDHM CO[C@@H](CN1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1)c1ccccc1 ZINC001237623063 1042289888 /nfs/dbraw/zinc/28/98/88/1042289888.db2.gz GMQXTIJFSQYQSW-IBGZPJMESA-N -1 3 378.875 3.690 20 10 GHCDHM Cc1ccc2c(c1)CN(Cc1cccc(I)c1[O-])CC2 ZINC001237775090 1042363455 /nfs/dbraw/zinc/36/34/55/1042363455.db2.gz CRULVJHEEMSHJB-UHFFFAOYSA-N -1 3 379.241 3.864 20 10 GHCDHM O=C1c2ccccc2C(=O)c2cc([N-]S(=O)(=O)Cc3ccc(F)cc3)ccc21 ZINC001259246323 1045040814 /nfs/dbraw/zinc/04/08/14/1045040814.db2.gz BFTKSJCKYBQFHK-UHFFFAOYSA-N -1 3 395.411 3.543 20 10 GHCDHM Cc1cc(CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)c(C)n1-c1cccc(C)c1 ZINC001302262425 1046889253 /nfs/dbraw/zinc/88/92/53/1046889253.db2.gz QSOAUONOWIFGHC-UHFFFAOYSA-N -1 3 376.460 3.706 20 10 GHCDHM C[C@H]1CCCN(c2nnc(-c3sc4ncccc4c3[O-])n2C[C@@H]2CCOC2)C1 ZINC001263532282 1046926796 /nfs/dbraw/zinc/92/67/96/1046926796.db2.gz LLRGYLCEAIHRGE-KBPBESRZSA-N -1 3 399.520 3.533 20 10 GHCDHM Cc1cc(CN2C[C@H]3CC[C@@H](C2)N3Cc2cc(Cl)c(Cl)cc2[O-])n(C)n1 ZINC001279665477 1047904997 /nfs/dbraw/zinc/90/49/97/1047904997.db2.gz ODGOTAZYBBCWKD-GASCZTMLSA-N -1 3 395.334 3.590 20 10 GHCDHM CC(C)NC(=O)N1CC2(C1)CCCN(Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001279665032 1047905131 /nfs/dbraw/zinc/90/51/31/1047905131.db2.gz IXCSKGACDMWRMD-UHFFFAOYSA-N -1 3 386.323 3.715 20 10 GHCDHM CCn1ccnc1CN1CCC2(CN(Cc3c([O-])ccc(Cl)c3Cl)C2)C1 ZINC001279676772 1047910651 /nfs/dbraw/zinc/91/06/51/1047910651.db2.gz PMYVJBINKWUPAJ-UHFFFAOYSA-N -1 3 395.334 3.623 20 10 GHCDHM Cc1cc(CN2C[C@H]3CC[C@@H](C2)N3Cc2c([O-])ccc(Cl)c2Cl)n(C)n1 ZINC001279677195 1047910837 /nfs/dbraw/zinc/91/08/37/1047910837.db2.gz ZMJFTIISXOEUTC-OKILXGFUSA-N -1 3 395.334 3.590 20 10 GHCDHM CC(C)NC(=O)N1CC[C@@]2(C1)CCCN(Cc1c([O-])ccc(F)c1Cl)C2 ZINC001279684719 1047914148 /nfs/dbraw/zinc/91/41/48/1047914148.db2.gz RDZNIAKYVZODPH-IBGZPJMESA-N -1 3 383.895 3.591 20 10 GHCDHM Cc1cc([C@H](NCc2ccc(N3CCOCC3)c(F)c2)C(=O)[O-])ccc1Cl ZINC000756362020 1051048732 /nfs/dbraw/zinc/04/87/32/1051048732.db2.gz MSIOMUPQSJTWBO-IBGZPJMESA-N -1 3 392.858 3.540 20 10 GHCDHM O=C1N[C@H](c2c([O-])cccc2Br)Nc2ccc(Br)cc21 ZINC001331744338 1051365581 /nfs/dbraw/zinc/36/55/81/1051365581.db2.gz UVMBUYFVXOLIKF-CYBMUJFWSA-N -1 3 398.054 3.771 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCC(O)(Cc3ccccc3F)CC2)c1[O-] ZINC001339365641 1059144748 /nfs/dbraw/zinc/14/47/48/1059144748.db2.gz UIGZMCPOFMYAKC-UHFFFAOYSA-N -1 3 391.870 3.957 20 10 GHCDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@@H](OC2CCC2)CC1 ZINC001340207891 1059764135 /nfs/dbraw/zinc/76/41/35/1059764135.db2.gz CYDFSNTUCJZWDG-CQSZACIVSA-N -1 3 399.520 3.725 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc(F)cc1OCC(F)(F)F ZINC001465655512 1065773245 /nfs/dbraw/zinc/77/32/45/1065773245.db2.gz ASOZZZZSHQPUGJ-UHFFFAOYSA-N -1 3 376.281 3.933 20 10 GHCDHM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001466790961 1066317227 /nfs/dbraw/zinc/31/72/27/1066317227.db2.gz NDGHYMGGPWFLGC-HNNXBMFYSA-N -1 3 377.440 3.755 20 10 GHCDHM C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001474379001 1074374660 /nfs/dbraw/zinc/37/46/60/1074374660.db2.gz BXGZOXPOWFCPCG-HNNXBMFYSA-N -1 3 398.894 3.974 20 10 GHCDHM O=C1C(=Cc2ccccc2)SC(=S)N1c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738292320 598359886 /nfs/dbraw/zinc/35/98/86/598359886.db2.gz YTFPSZQPIIZBAJ-ZSOIEALJSA-N -1 3 399.888 3.926 20 10 GHCDHM O=C1C(=Cc2ccccc2)SC(=S)N1c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738292320 598359888 /nfs/dbraw/zinc/35/98/88/598359888.db2.gz YTFPSZQPIIZBAJ-ZSOIEALJSA-N -1 3 399.888 3.926 20 10 GHCDHM Cc1cc(C(=O)Nc2nc(C)c(C)s2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737483356 598610889 /nfs/dbraw/zinc/61/08/89/598610889.db2.gz VDUBIADYKYQHKM-UHFFFAOYSA-N -1 3 393.476 3.600 20 10 GHCDHM C[C@@H](c1ccccc1)N1C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)SC1=S ZINC000820570501 606335795 /nfs/dbraw/zinc/33/57/95/606335795.db2.gz KXKNWSZBJFAIDV-CEITULEQSA-N -1 3 399.526 3.891 20 10 GHCDHM C[C@@H](c1ccccc1)N1C(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)SC1=S ZINC000820570501 606335797 /nfs/dbraw/zinc/33/57/97/606335797.db2.gz KXKNWSZBJFAIDV-CEITULEQSA-N -1 3 399.526 3.891 20 10 GHCDHM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)s3)SC2=S)cc1 ZINC000822241368 606389361 /nfs/dbraw/zinc/38/93/61/606389361.db2.gz SZVVLRFZCMXZBO-MDWZMJQESA-N -1 3 385.499 3.642 20 10 GHCDHM C[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)SC1=S ZINC000820570780 606393685 /nfs/dbraw/zinc/39/36/85/606393685.db2.gz RDQNGZMNVSDINH-RSYJBZMQSA-N -1 3 399.526 3.891 20 10 GHCDHM Oc1ccccc1CN(Cc1ccco1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000826511287 608407648 /nfs/dbraw/zinc/40/76/48/608407648.db2.gz JMWNXLXCLLRRTL-UHFFFAOYSA-N -1 3 379.395 3.507 20 10 GHCDHM COC(=O)CN(CCSc1cccc(OC)c1)Cc1cc(Cl)ccc1[O-] ZINC001167740686 840352431 /nfs/dbraw/zinc/35/24/31/840352431.db2.gz NBSACPHIHPVXBD-UHFFFAOYSA-N -1 3 395.908 3.822 20 10 GHCDHM CCCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000150865692 852491635 /nfs/dbraw/zinc/49/16/35/852491635.db2.gz RJTOBSUZZFZIAE-UHFFFAOYSA-N -1 3 396.534 3.646 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cc2[nH]ccc2s1 ZINC000793689023 882367394 /nfs/dbraw/zinc/36/73/94/882367394.db2.gz IJGBINUEDJEFTA-CQSZACIVSA-N -1 3 389.908 3.983 20 10 GHCDHM O=C(NCc1ccccc1)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775647654 872322239 /nfs/dbraw/zinc/32/22/39/872322239.db2.gz XFSMWRLMIOHTFY-UHFFFAOYSA-N -1 3 376.859 3.713 20 10 GHCDHM [O-]c1c(Br)cccc1CN1CCN(CCc2cccs2)CC1 ZINC000768357920 873255583 /nfs/dbraw/zinc/25/55/83/873255583.db2.gz QSIOMXYALUKWRI-UHFFFAOYSA-N -1 3 381.339 3.577 20 10 GHCDHM COc1cc(OC)cc(N2CCCN(Cc3cc(Cl)cc(F)c3[O-])CC2)c1 ZINC000775734736 873293591 /nfs/dbraw/zinc/29/35/91/873293591.db2.gz YPMBTIZQQBGKTO-UHFFFAOYSA-N -1 3 394.874 3.914 20 10 GHCDHM CCOC(=O)[C@H](Cc1ccccc1)N(C)Cc1cccc(Br)c1[O-] ZINC000769380363 874008985 /nfs/dbraw/zinc/00/89/85/874008985.db2.gz UZCJISFWGISUEM-KRWDZBQOSA-N -1 3 392.293 3.761 20 10 GHCDHM COC(=O)CN(Cc1c(Cl)nc2ccccn21)Cc1cc(Cl)ccc1[O-] ZINC000769380618 874009168 /nfs/dbraw/zinc/00/91/68/874009168.db2.gz KSHDCRVJMLHQGT-UHFFFAOYSA-N -1 3 394.258 3.522 20 10 GHCDHM CCN(Cc1ccc(S(C)(=O)=O)cc1)Cc1cc(Br)ccc1[O-] ZINC000769538910 874142706 /nfs/dbraw/zinc/14/27/06/874142706.db2.gz GWWMXOONMHQWOP-UHFFFAOYSA-N -1 3 398.322 3.580 20 10 GHCDHM CCN1CCN(c2cccc([N-]S(=O)(=O)c3cccc(C)c3Cl)c2)CC1 ZINC000769848881 874324664 /nfs/dbraw/zinc/32/46/64/874324664.db2.gz QUMDMVUCHRJCBW-UHFFFAOYSA-N -1 3 393.940 3.591 20 10 GHCDHM CC(C)(C)OC(=O)C[C@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000770330791 874576610 /nfs/dbraw/zinc/57/66/10/874576610.db2.gz AMCZKKIJVSJZJK-GFCCVEGCSA-N -1 3 384.860 3.898 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC001198936087 874716044 /nfs/dbraw/zinc/71/60/44/874716044.db2.gz CRQGLZIWOGSQBD-UHFFFAOYSA-N -1 3 393.418 3.783 20 10 GHCDHM Cc1c2ccc(C(=O)NCc3cc(Cl)c4cccnc4c3[O-])cc2nn1C ZINC001199794646 875191991 /nfs/dbraw/zinc/19/19/91/875191991.db2.gz LDVVQLYREASYSN-UHFFFAOYSA-N -1 3 380.835 3.719 20 10 GHCDHM [O-]c1ccc(Br)cc1CN1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000180542127 879002400 /nfs/dbraw/zinc/00/24/00/879002400.db2.gz ZBUXYYCTSWTYAT-HOCLYGCPSA-N -1 3 398.322 3.541 20 10 GHCDHM COc1c(NCc2cc(C)cc(Br)c2[O-])cc(Cl)cc1C(N)=O ZINC000790652545 879918489 /nfs/dbraw/zinc/91/84/89/879918489.db2.gz JAXPXMICWMLJSB-UHFFFAOYSA-N -1 3 399.672 3.836 20 10 GHCDHM Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000919954520 881258312 /nfs/dbraw/zinc/25/83/12/881258312.db2.gz LMPUFTNOHTVOAZ-UHFFFAOYSA-N -1 3 384.251 3.595 20 10 GHCDHM CC(C)(Oc1ccc(O)cc1)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001183601867 912677239 /nfs/dbraw/zinc/67/72/39/912677239.db2.gz RXIBJODAYHECQC-UHFFFAOYSA-N -1 3 386.835 3.773 20 10 GHCDHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000745465709 884917015 /nfs/dbraw/zinc/91/70/15/884917015.db2.gz YPRPUKZUVRBXGO-UHFFFAOYSA-N -1 3 376.395 3.666 20 10 GHCDHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000745465709 884917041 /nfs/dbraw/zinc/91/70/41/884917041.db2.gz YPRPUKZUVRBXGO-UHFFFAOYSA-N -1 3 376.395 3.666 20 10 GHCDHM O=C(N[C@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1)c1ccc(Cl)cc1 ZINC001184047039 912984800 /nfs/dbraw/zinc/98/48/00/912984800.db2.gz ZMJOIQDXUBWUHW-HNNXBMFYSA-N -1 3 380.822 3.718 20 10 GHCDHM [O-]c1cccc(Br)c1CN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000862246220 886246837 /nfs/dbraw/zinc/24/68/37/886246837.db2.gz CFHNRWMWEDTIIX-UHFFFAOYSA-N -1 3 396.716 3.521 20 10 GHCDHM CC(C)CO[C@H](C)c1noc(CN(C)Cc2c([O-])cccc2Br)n1 ZINC000862251658 886256458 /nfs/dbraw/zinc/25/64/58/886256458.db2.gz KLCZRUZCYNJZDF-GFCCVEGCSA-N -1 3 398.301 3.903 20 10 GHCDHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1C ZINC000863406873 887090627 /nfs/dbraw/zinc/09/06/27/887090627.db2.gz MJWOTKOYJHPSSE-UHFFFAOYSA-N -1 3 378.450 3.605 20 10 GHCDHM CCCNC(=O)OC[C@H]1CCCCN1Cc1cccc(Br)c1[O-] ZINC000809725820 887709384 /nfs/dbraw/zinc/70/93/84/887709384.db2.gz BQIRFZWAVCIDKM-CQSZACIVSA-N -1 3 385.302 3.645 20 10 GHCDHM COc1c([O-])c(CN2CCC(C(=O)c3ccc(C)cc3)CC2)ccc1[N+](=O)[O-] ZINC000774847697 913758158 /nfs/dbraw/zinc/75/81/58/913758158.db2.gz XAHVCLIPCVBSBZ-UHFFFAOYSA-N -1 3 384.432 3.712 20 10 GHCDHM COc1cc(CN(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])ccc1SC ZINC000774864585 913848344 /nfs/dbraw/zinc/84/83/44/913848344.db2.gz SGWGDGPTGIWOCA-UHFFFAOYSA-N -1 3 378.450 3.672 20 10 GHCDHM Cc1nc(C(C)C)oc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000815835262 894245650 /nfs/dbraw/zinc/24/56/50/894245650.db2.gz OHIAQNUOQBVMDS-MRXNPFEDSA-N -1 3 391.899 3.860 20 10 GHCDHM Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3cc(Cl)c(F)cc3[O-])C2)nc1 ZINC000816489390 894855851 /nfs/dbraw/zinc/85/58/51/894855851.db2.gz TUUJSTBZTLOYNI-CYBMUJFWSA-N -1 3 377.847 3.739 20 10 GHCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000816996605 895249083 /nfs/dbraw/zinc/24/90/83/895249083.db2.gz PYQKTIGFJITFAJ-MEDUHNTESA-N -1 3 381.350 3.719 20 10 GHCDHM O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)[N-]OCCC1CC1 ZINC000817446612 895644238 /nfs/dbraw/zinc/64/42/38/895644238.db2.gz RGIMCXFPHFKNKC-SDNWHVSQSA-N -1 3 396.559 3.577 20 10 GHCDHM Cc1c(Cl)cccc1NC(=S)NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826236817 896590516 /nfs/dbraw/zinc/59/05/16/896590516.db2.gz CZJLOWNHBAHQRZ-UHFFFAOYSA-N -1 3 394.291 3.795 20 10 GHCDHM Cc1c(Cl)cccc1NC(=S)NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826236817 896590533 /nfs/dbraw/zinc/59/05/33/896590533.db2.gz CZJLOWNHBAHQRZ-UHFFFAOYSA-N -1 3 394.291 3.795 20 10 GHCDHM COc1c([O-])c(CNc2cccc(OCc3cscn3)c2)ccc1[N+](=O)[O-] ZINC000774929286 914096496 /nfs/dbraw/zinc/09/64/96/914096496.db2.gz DERSFXMQXJMIGV-UHFFFAOYSA-N -1 3 387.417 3.957 20 10 GHCDHM COc1c([O-])c(CNc2cc(F)ccc2OC[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000774938307 914107526 /nfs/dbraw/zinc/10/75/26/914107526.db2.gz UHKRRBDIABDINJ-CQSZACIVSA-N -1 3 392.383 3.618 20 10 GHCDHM Cc1ccc(CNCc2cc(Br)cc(F)c2[O-])c(N2CCCC2)n1 ZINC000883085131 897270103 /nfs/dbraw/zinc/27/01/03/897270103.db2.gz JQPJMECDMCMDBE-UHFFFAOYSA-N -1 3 394.288 3.887 20 10 GHCDHM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093889125 901575019 /nfs/dbraw/zinc/57/50/19/901575019.db2.gz QIMVQQZCZGWPFA-FTJNGKRUSA-N -1 3 382.869 3.884 20 10 GHCDHM COc1cccc(-n2c(NC(=O)c3cccc(O)c3[O-])nc3ccccc32)c1 ZINC001147098278 903696699 /nfs/dbraw/zinc/69/66/99/903696699.db2.gz NTGVDINGGZKLRN-UHFFFAOYSA-N -1 3 375.384 3.698 20 10 GHCDHM CC(C)(C)OC(=O)Nc1nc(Cl)ccc1NC(=O)c1cccc(O)c1[O-] ZINC001148212175 904007832 /nfs/dbraw/zinc/00/78/32/904007832.db2.gz PSKLEXMUAOMHJC-UHFFFAOYSA-N -1 3 379.800 3.746 20 10 GHCDHM O=C(NCC1(Cc2ccccn2)CCC(F)(F)CC1)c1cccc(O)c1[O-] ZINC001148224836 904010817 /nfs/dbraw/zinc/01/08/17/904010817.db2.gz WHNGQLVQEHVBLW-UHFFFAOYSA-N -1 3 376.403 3.661 20 10 GHCDHM CCN(CC)c1ccc(C[N-]S(=O)(=O)c2c(F)cc(C)cc2F)cc1F ZINC001186788391 914808365 /nfs/dbraw/zinc/80/83/65/914808365.db2.gz PSPKXWIYNDEXHS-UHFFFAOYSA-N -1 3 386.439 3.737 20 10 GHCDHM COC(=O)[C@@H](NCc1cc(Br)ccc1[O-])c1cc(C)cc(C)c1 ZINC000779179664 905146180 /nfs/dbraw/zinc/14/61/80/905146180.db2.gz GBUNVMBSBYGCGL-KRWDZBQOSA-N -1 3 378.266 3.775 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c1[O-] ZINC001175562007 907638067 /nfs/dbraw/zinc/63/80/67/907638067.db2.gz ZNQIAPQOUDBKQD-ZWKOTPCHSA-N -1 3 392.471 3.708 20 10 GHCDHM O=C(c1ccsc1)N1CCCN(Cc2cccc(Br)c2[O-])CC1 ZINC000092149233 911423219 /nfs/dbraw/zinc/42/32/19/911423219.db2.gz DDLUUWSAUNYDTD-UHFFFAOYSA-N -1 3 395.322 3.564 20 10 GHCDHM CCS(=O)(=O)c1ccc([C@H](C)NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000284090293 911748444 /nfs/dbraw/zinc/74/84/44/911748444.db2.gz RPAKMGVCSHUAIH-NSHDSACASA-N -1 3 398.868 3.598 20 10 GHCDHM [O-]c1c(F)cc(Cl)cc1CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC001182712930 911995608 /nfs/dbraw/zinc/99/56/08/911995608.db2.gz DEDWGGMDMVEEOH-VQTJNVASSA-N -1 3 390.886 3.660 20 10 GHCDHM COC(=O)CN(Cc1c[nH]nc1-c1ccc(C)o1)Cc1cc(Cl)ccc1[O-] ZINC000093277025 912153207 /nfs/dbraw/zinc/15/32/07/912153207.db2.gz FKCOCMDYNFYDBD-UHFFFAOYSA-N -1 3 389.839 3.512 20 10 GHCDHM Cc1oc(C2CC2)nc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000802782114 922400684 /nfs/dbraw/zinc/40/06/84/922400684.db2.gz OAODHEAQYOGSLK-MRXNPFEDSA-N -1 3 389.883 3.614 20 10 GHCDHM COC(=O)c1cnc([C@H]2CCCN(Cc3cc(Cl)c(F)cc3[O-])C2)s1 ZINC000827951404 926375935 /nfs/dbraw/zinc/37/59/35/926375935.db2.gz YNUSCNBGVPINQF-JTQLQIEISA-N -1 3 384.860 3.807 20 10 GHCDHM COc1cccc(CN(Cc2cc(F)cc(C(C)=O)c2[O-])C[C@@H]2CCCO2)c1 ZINC000750819932 927874121 /nfs/dbraw/zinc/87/41/21/927874121.db2.gz ULUITPVMIFAHMI-FQEVSTJZSA-N -1 3 387.451 3.924 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000781903019 931020501 /nfs/dbraw/zinc/02/05/01/931020501.db2.gz WEIGBUHVSUCRLC-ZDUSSCGKSA-N -1 3 385.302 3.562 20 10 GHCDHM CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1cc(C)cc(Br)c1[O-] ZINC000781913344 931024708 /nfs/dbraw/zinc/02/47/08/931024708.db2.gz SJADREJMDFHSGK-HZPDHXFCSA-N -1 3 383.330 3.684 20 10 GHCDHM Cc1ccc([C@H](NCc2c([O-])ccc(Cl)c2F)[C@H](C)S(C)(=O)=O)cc1 ZINC000798088781 932525357 /nfs/dbraw/zinc/52/53/57/932525357.db2.gz VHFRHKMGZBQGCR-KPZWWZAWSA-N -1 3 385.888 3.757 20 10 GHCDHM COC(=O)CN(Cc1ccc(-c2cnn(C)c2)cc1)Cc1cc(Cl)ccc1[O-] ZINC001116877916 933807624 /nfs/dbraw/zinc/80/76/24/933807624.db2.gz QEDYEIFNRDSLHX-UHFFFAOYSA-N -1 3 399.878 3.621 20 10 GHCDHM [O-]c1cccc(F)c1CN1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001137834898 935814054 /nfs/dbraw/zinc/81/40/54/935814054.db2.gz XYXVPUQUFKVUDW-PGRDOPGGSA-N -1 3 386.467 3.514 20 10 GHCDHM CCN(Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)Cc1ccc(N(C)C)cc1 ZINC001603747612 974191381 /nfs/dbraw/zinc/19/13/81/974191381.db2.gz ZITXERVWAHTZAM-GOSISDBHSA-N -1 3 385.508 3.669 20 10 GHCDHM C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593248178 994469778 /nfs/dbraw/zinc/46/97/78/994469778.db2.gz SWVBTEQEMFZMGO-OLZOCXBDSA-N -1 3 397.393 3.611 20 10 GHCDHM C[C@@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593295902 994694150 /nfs/dbraw/zinc/69/41/50/994694150.db2.gz HZKAZKXXGLOCMC-OAHLLOKOSA-N -1 3 385.460 3.637 20 10 GHCDHM O=C1N(CCC(F)(F)F)CC[C@@]12CCCN2Cc1cccc(Cl)c1[O-] ZINC001277232658 1032520988 /nfs/dbraw/zinc/52/09/88/1032520988.db2.gz WPFPKPQFDPQPQC-INIZCTEOSA-N -1 3 376.806 3.565 20 10 GHCDHM CS(=O)(=O)c1cccc(C2CCN(Cc3c([O-])cccc3Cl)CC2)c1 ZINC001140342346 1021455100 /nfs/dbraw/zinc/45/51/00/1021455100.db2.gz FUJBTZYPXBLGOF-UHFFFAOYSA-N -1 3 379.909 3.829 20 10 GHCDHM C[C@@H](NCc1nn(C)cc1Br)c1ccc(Br)cc1[O-] ZINC000834884809 1021610476 /nfs/dbraw/zinc/61/04/76/1021610476.db2.gz PWHDSLZSYNKSRX-MRVPVSSYSA-N -1 3 389.091 3.502 20 10 GHCDHM CCOC[C@@H]1CN(Cc2ccc(Cl)cc2[O-])Cc2cn(CC3CC3)nc21 ZINC001140467118 1021763858 /nfs/dbraw/zinc/76/38/58/1021763858.db2.gz MBWZCLBJVOBSEH-KRWDZBQOSA-N -1 3 375.900 3.788 20 10 GHCDHM CC(C)(C)OC(=O)N1CCC[C@]2(CCN(Cc3c([O-])cc(F)cc3F)C2)C1 ZINC001140582857 1022003341 /nfs/dbraw/zinc/00/33/41/1022003341.db2.gz NTCBSYHUUORQKM-HXUWFJFHSA-N -1 3 382.451 3.893 20 10 GHCDHM [O-]c1c(O)cc2c(c1Cl)CCN(Cc1ncco1)C[C@@H]2c1ccc(O)cc1 ZINC001141011226 1023200488 /nfs/dbraw/zinc/20/04/88/1023200488.db2.gz VVFFCHMKJAXRNG-MRXNPFEDSA-N -1 3 386.835 3.635 20 10 GHCDHM COc1ccccc1[C@@H](CO)N[C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756713183 1023784978 /nfs/dbraw/zinc/78/49/78/1023784978.db2.gz VWKWQEAQEYGLMG-ZUZCIYMTSA-N -1 3 384.245 3.687 20 10 GHCDHM C[C@@H](N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756779166 1023812104 /nfs/dbraw/zinc/81/21/04/1023812104.db2.gz QOXOWZVZWUYOQF-JDNHERCYSA-N -1 3 384.785 3.919 20 10 GHCDHM C[C@H](N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756779165 1023812198 /nfs/dbraw/zinc/81/21/98/1023812198.db2.gz QOXOWZVZWUYOQF-FVMDXXJSSA-N -1 3 384.785 3.919 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC([C@@H](O)c3cc(F)ccc3F)CC2)c1[O-] ZINC000839159703 1025665475 /nfs/dbraw/zinc/66/54/75/1025665475.db2.gz OSZJFBOQBJHYOG-HXUWFJFHSA-N -1 3 393.405 3.958 20 10 GHCDHM Cc1cccc(NC(=O)NC2CCN(Cc3cc(F)c(F)cc3[O-])CC2)c1 ZINC001142531290 1029033560 /nfs/dbraw/zinc/03/35/60/1029033560.db2.gz SKPPHLWVBJULKO-UHFFFAOYSA-N -1 3 375.419 3.765 20 10 GHCDHM CCOc1ccc(-c2noc(-c3cccc(O)c3[O-])n2)cc1Br ZINC001215146003 1029059409 /nfs/dbraw/zinc/05/94/09/1029059409.db2.gz WLGVUVZMHRMPJG-UHFFFAOYSA-N -1 3 377.194 3.976 20 10 GHCDHM C[C@@H](Cc1cc(Br)ccc1F)NC(=O)NCc1c([O-])cccc1F ZINC001230552959 1034117386 /nfs/dbraw/zinc/11/73/86/1034117386.db2.gz FMZOPXOPWLDTAW-JTQLQIEISA-N -1 3 399.235 3.863 20 10 GHCDHM [O-]c1ccc(Br)cc1CNC(F)(F)Oc1cccnc1Cl ZINC001160011506 1034827399 /nfs/dbraw/zinc/82/73/99/1034827399.db2.gz DAYKGBRHPAHWKR-UHFFFAOYSA-N -1 3 379.588 3.922 20 10 GHCDHM COc1ccc(CN2CCC23CCCCC3)c([O-])c1I ZINC001248481793 1035908958 /nfs/dbraw/zinc/90/89/58/1035908958.db2.gz GMFYJJNEASENCK-UHFFFAOYSA-N -1 3 387.261 3.914 20 10 GHCDHM COc1ccc(CN2CC[C@@H](C)C[C@H]2C)c([O-])c1I ZINC001248489986 1035911476 /nfs/dbraw/zinc/91/14/76/1035911476.db2.gz SSTYTAVLLMHRBM-GHMZBOCLSA-N -1 3 375.250 3.626 20 10 GHCDHM [O-]c1cc(O)c(CN2CCO[C@@]3(CCCN(c4ccccc4)C3)C2)cc1Cl ZINC001232259785 1037981341 /nfs/dbraw/zinc/98/13/41/1037981341.db2.gz JMFIBIKSFJCAGZ-NRFANRHFSA-N -1 3 388.895 3.623 20 10 GHCDHM COc1cc([O-])c(CN2C[C@@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)cc1Cl ZINC001232271286 1037995965 /nfs/dbraw/zinc/99/59/65/1037995965.db2.gz UDHVMZCYVQJTKI-KBPBESRZSA-N -1 3 382.888 3.638 20 10 GHCDHM NC(=O)c1ccc(OC2CCN(Cc3cccc(C(F)(F)F)c3[O-])CC2)cc1 ZINC001233419108 1039280781 /nfs/dbraw/zinc/28/07/81/1039280781.db2.gz JPZHMXJZTNJAST-UHFFFAOYSA-N -1 3 394.393 3.553 20 10 GHCDHM O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1)c1cccc(F)c1 ZINC001233419746 1039282397 /nfs/dbraw/zinc/28/23/97/1039282397.db2.gz LBLYAXUEJQTAFZ-UHFFFAOYSA-N -1 3 396.384 3.945 20 10 GHCDHM Cc1cccc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3[O-])CC2)c1 ZINC001233453967 1039343727 /nfs/dbraw/zinc/34/37/27/1039343727.db2.gz AUWPHAMJKSWWKH-UHFFFAOYSA-N -1 3 378.394 3.677 20 10 GHCDHM O=C1c2ccccc2C(=O)c2cc(NC[C@H](O)c3ccc(F)c(F)c3)c([O-])cc21 ZINC001253366159 1039578417 /nfs/dbraw/zinc/57/84/17/1039578417.db2.gz MEPAHBVMYRUNSU-FQEVSTJZSA-N -1 3 395.361 3.591 20 10 GHCDHM COc1c(O[C@H](C)C(F)(F)F)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234127271 1039869817 /nfs/dbraw/zinc/86/98/17/1039869817.db2.gz PTRHVQMCQBUFSM-SECBINFHSA-N -1 3 380.318 3.814 20 10 GHCDHM COC(=O)CN(Cc1ccccc1N1CCCC1)Cc1cc(Cl)ccc1[O-] ZINC001254010695 1039951586 /nfs/dbraw/zinc/95/15/86/1039951586.db2.gz JTFKWIAKQGNOIO-UHFFFAOYSA-N -1 3 388.895 3.821 20 10 GHCDHM CCOC(=O)c1cnc2n1CCN(Cc1c([O-])ccc3ccc(OC)cc31)[C@H]2C ZINC001234568988 1040137225 /nfs/dbraw/zinc/13/72/25/1040137225.db2.gz IHDHDROTOPFRPA-AWEZNQCLSA-N -1 3 395.459 3.504 20 10 GHCDHM [O-]c1c(Br)cc(F)cc1CN1CCN(CCc2ccccc2)CC1 ZINC001235302930 1040775584 /nfs/dbraw/zinc/77/55/84/1040775584.db2.gz WRRVSEQALXLUJF-UHFFFAOYSA-N -1 3 393.300 3.654 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c1 ZINC001236669386 1041817054 /nfs/dbraw/zinc/81/70/54/1041817054.db2.gz IRCPCPDJQXWTBZ-UKRRQHHQSA-N -1 3 397.313 3.514 20 10 GHCDHM Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3cc(Cl)c(Cl)cc3[O-])O2)n1 ZINC001236789086 1041895276 /nfs/dbraw/zinc/89/52/76/1041895276.db2.gz BPNBBYCFHQNILD-FVQBIDKESA-N -1 3 384.263 3.885 20 10 GHCDHM O=C(c1ccsc1)N1C[C@@H]2CN(Cc3cc(Cl)c(Cl)cc3[O-])C[C@H]2C1 ZINC001236794569 1041899827 /nfs/dbraw/zinc/89/98/27/1041899827.db2.gz YAYTVUVKVOSFJR-KBPBESRZSA-N -1 3 397.327 3.965 20 10 GHCDHM COc1cc([O-])c(CN2CCN(C(=O)c3ccccc3Cl)CC2)c(Cl)c1 ZINC001236801972 1041903982 /nfs/dbraw/zinc/90/39/82/1041903982.db2.gz FZBSQNKGNOGRMP-UHFFFAOYSA-N -1 3 395.286 3.666 20 10 GHCDHM COc1ccc(CN2CCC(NC(=O)c3cccc(F)c3)CC2)c([O-])c1Cl ZINC001236809155 1041909636 /nfs/dbraw/zinc/90/96/36/1041909636.db2.gz JSDPWIODFFRFEC-UHFFFAOYSA-N -1 3 392.858 3.588 20 10 GHCDHM CC(C)=CCNC(=O)[C@H]1CC12CCN(Cc1c([O-])ccc(F)c1Cl)CC2 ZINC001278022988 1041940640 /nfs/dbraw/zinc/94/06/40/1041940640.db2.gz GKNVKZTZAMRUBZ-OAHLLOKOSA-N -1 3 380.891 3.869 20 10 GHCDHM COc1cc([O-])c(CN2CCOC[C@H]2Cc2ccccc2)c(Br)c1 ZINC001237069074 1042019366 /nfs/dbraw/zinc/01/93/66/1042019366.db2.gz YDFJRPZJRZHCKH-OAHLLOKOSA-N -1 3 392.293 3.607 20 10 GHCDHM Cc1cnc2n1CCN(C)C21CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237079961 1042025364 /nfs/dbraw/zinc/02/53/64/1042025364.db2.gz IBWOJSUORYXYCA-UHFFFAOYSA-N -1 3 395.334 3.641 20 10 GHCDHM Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3c([O-])ccc(Cl)c3Cl)O2)n1 ZINC001237079221 1042025785 /nfs/dbraw/zinc/02/57/85/1042025785.db2.gz HRVHSUPQZDNCEQ-BPLDGKMQSA-N -1 3 384.263 3.885 20 10 GHCDHM [O-]c1ccc(Cl)c(Cl)c1CN1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001237080822 1042026983 /nfs/dbraw/zinc/02/69/83/1042026983.db2.gz WBXAQLITLXCQML-ALKREAHSSA-N -1 3 395.286 3.905 20 10 GHCDHM [O-]c1ccc(F)c(Cl)c1CN1CCC(c2noc(C(F)(F)F)n2)CC1 ZINC001237126719 1042054117 /nfs/dbraw/zinc/05/41/17/1042054117.db2.gz PVTHYGRJJIHTEL-UHFFFAOYSA-N -1 3 379.741 3.966 20 10 GHCDHM COC(=O)CCc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cc1 ZINC001259322829 1045075979 /nfs/dbraw/zinc/07/59/79/1045075979.db2.gz ATJYBKTXCGOXDL-UHFFFAOYSA-N -1 3 391.489 3.730 20 10 GHCDHM Cc1csc([C@@H]2CCN(c3nnc(-c4sc5ncccc5c4[O-])n3C)C2)n1 ZINC001262926425 1046426101 /nfs/dbraw/zinc/42/61/01/1046426101.db2.gz DLZSVEOFQWVIKI-LLVKDONJSA-N -1 3 398.517 3.556 20 10 GHCDHM CCN(C(=O)c1cc2c([nH]1)CN(Cc1cc(Cl)ccc1[O-])CC2)C(C)C ZINC001279982994 1048026449 /nfs/dbraw/zinc/02/64/49/1048026449.db2.gz CEYIMHCGXCGSGF-UHFFFAOYSA-N -1 3 375.900 3.803 20 10 GHCDHM COC(=O)c1cnc(CC2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)s1 ZINC001308916648 1050165758 /nfs/dbraw/zinc/16/57/58/1050165758.db2.gz BTFZHYWVWLOYND-UHFFFAOYSA-N -1 3 398.887 3.883 20 10 GHCDHM Cc1nc[n-]c(=O)c1CCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC001337910844 1058324367 /nfs/dbraw/zinc/32/43/67/1058324367.db2.gz BPLCVKBWYXREGS-UHFFFAOYSA-N -1 3 382.508 3.509 20 10 GHCDHM CC(C)(C)c1nc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)co1 ZINC001445883721 1059644545 /nfs/dbraw/zinc/64/45/45/1059644545.db2.gz NRPDAQCYKYKAKI-OAHLLOKOSA-N -1 3 391.899 3.726 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCCC2(CCOCC2)C1 ZINC001340215660 1059770256 /nfs/dbraw/zinc/77/02/56/1059770256.db2.gz MLUBZAMQLUJFPA-UHFFFAOYSA-N -1 3 399.520 3.677 20 10 GHCDHM O=C(Cn1c2ccccc2nc1SC(F)F)NCc1c([O-])cccc1F ZINC001471974645 1073287736 /nfs/dbraw/zinc/28/77/36/1073287736.db2.gz IMSHNOCAZFRQNI-UHFFFAOYSA-N -1 3 381.379 3.512 20 10 GHCDHM O=[N+]([O-])c1cncc(Cl)c1N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC001472687133 1073619536 /nfs/dbraw/zinc/61/95/36/1073619536.db2.gz UEFJMSQEGNZWEB-CYBMUJFWSA-N -1 3 397.262 3.501 20 10 GHCDHM O=C(NCc1cc(C(F)(F)F)cc(Cl)n1)NCc1c([O-])cccc1F ZINC001479219341 1079158184 /nfs/dbraw/zinc/15/81/84/1079158184.db2.gz ZCXUVZQETPULBU-UHFFFAOYSA-N -1 3 377.725 3.598 20 10 GHCDHM CCN(CC)S(=O)(=O)c1cc(NCc2c([O-])cccc2Cl)ccc1C ZINC001474139692 1074274402 /nfs/dbraw/zinc/27/44/02/1074274402.db2.gz SEYYKAVKLLICQF-UHFFFAOYSA-N -1 3 382.913 3.997 20 10 GHCDHM CCOC(=O)CC[C@@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001474355848 1074360428 /nfs/dbraw/zinc/36/04/28/1074360428.db2.gz PFQKWWAIGFUMMI-LBPRGKRZSA-N -1 3 388.277 3.849 20 10 GHCDHM COC(=O)CN(Cc1ccc(N(C)C)cc1C)Cc1cc(Cl)ccc1[O-] ZINC001474380636 1074375832 /nfs/dbraw/zinc/37/58/32/1074375832.db2.gz XATPWAOMBZGKOD-UHFFFAOYSA-N -1 3 376.884 3.595 20 10 GHCDHM CCSCC[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821461797 599218482 /nfs/dbraw/zinc/21/84/82/599218482.db2.gz TURFOCZITMTZBV-CYBMUJFWSA-N -1 3 398.536 3.536 20 10 GHCDHM Fc1ccc2c(C3=CCN(c4cccc(F)c4-c4nnn[n-]4)CC3)c[nH]c2c1 ZINC000737657063 598239956 /nfs/dbraw/zinc/23/99/56/598239956.db2.gz TZXYOJOAUQTKDO-UHFFFAOYSA-N -1 3 378.386 3.920 20 10 GHCDHM Fc1ccc2c(C3=CCN(c4cccc(F)c4-c4nn[n-]n4)CC3)c[nH]c2c1 ZINC000737657063 598239957 /nfs/dbraw/zinc/23/99/57/598239957.db2.gz TZXYOJOAUQTKDO-UHFFFAOYSA-N -1 3 378.386 3.920 20 10 GHCDHM CCN(Cc1ccoc1)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736557160 598611563 /nfs/dbraw/zinc/61/15/63/598611563.db2.gz XUEOIMRMASNNIQ-UHFFFAOYSA-N -1 3 390.447 3.530 20 10 GHCDHM Cc1cc(C(=O)N2CCc3c2cccc3C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737409856 598612561 /nfs/dbraw/zinc/61/25/61/598612561.db2.gz SAASVYDTGUJULM-UHFFFAOYSA-N -1 3 398.470 3.786 20 10 GHCDHM C[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)SC1=S ZINC000820570779 606393583 /nfs/dbraw/zinc/39/35/83/606393583.db2.gz RDQNGZMNVSDINH-GMROUXNLSA-N -1 3 399.526 3.891 20 10 GHCDHM CCc1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)s3)SC2=S)cc1 ZINC000821486255 606393935 /nfs/dbraw/zinc/39/39/35/606393935.db2.gz AUKSFUINSGWDNC-ZROIWOOFSA-N -1 3 399.526 3.896 20 10 GHCDHM CC(C)CN(C(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824248932 607980198 /nfs/dbraw/zinc/98/01/98/607980198.db2.gz DGFGKOIUUWGXCB-ONNFQVAWSA-N -1 3 382.855 3.618 20 10 GHCDHM CC(C)CN(C(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824248932 607980199 /nfs/dbraw/zinc/98/01/99/607980199.db2.gz DGFGKOIUUWGXCB-ONNFQVAWSA-N -1 3 382.855 3.618 20 10 GHCDHM c1[nH]c2ncccc2c1C1=CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CC1 ZINC000823867569 608221286 /nfs/dbraw/zinc/22/12/86/608221286.db2.gz CITKSLPORMGRFA-UHFFFAOYSA-N -1 3 394.442 3.585 20 10 GHCDHM c1[nH]c2ncccc2c1C1=CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)CC1 ZINC000823867569 608221288 /nfs/dbraw/zinc/22/12/88/608221288.db2.gz CITKSLPORMGRFA-UHFFFAOYSA-N -1 3 394.442 3.585 20 10 GHCDHM COC(=O)[C@]1(C)CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141372888 843269623 /nfs/dbraw/zinc/26/96/23/843269623.db2.gz BOMXRRGSMWPSHB-OAHLLOKOSA-N -1 3 376.678 3.583 20 10 GHCDHM CC(C)(C(N)=O)C1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141373228 843277659 /nfs/dbraw/zinc/27/76/59/843277659.db2.gz SMWASCBYVBTVMW-UHFFFAOYSA-N -1 3 389.721 3.532 20 10 GHCDHM COc1c([O-])c(CNc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)ccc1[N+](=O)[O-] ZINC000278902275 843652020 /nfs/dbraw/zinc/65/20/20/843652020.db2.gz RERBGAAJVBEOQP-ZWKOTPCHSA-N -1 3 388.420 3.603 20 10 GHCDHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(N3CCCCC3)cc2)cc1OC ZINC000277154773 844875923 /nfs/dbraw/zinc/87/59/23/844875923.db2.gz CXDVLRNMQNKZQG-FQEVSTJZSA-N -1 3 398.503 4.000 20 10 GHCDHM COC(=O)CN(Cc1ccc(SC)c(OC)c1)Cc1cc(Cl)ccc1[O-] ZINC000731845338 861903713 /nfs/dbraw/zinc/90/37/13/861903713.db2.gz VVHLIIWDZHZINL-UHFFFAOYSA-N -1 3 395.908 3.951 20 10 GHCDHM C[C@@H](NCc1ccc(S(C)(=O)=O)c(Cl)c1)c1cc(F)cc(F)c1[O-] ZINC000760028264 853573981 /nfs/dbraw/zinc/57/39/81/853573981.db2.gz HJUZOAGTPYDFMG-SECBINFHSA-N -1 3 375.824 3.578 20 10 GHCDHM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@H](CN3CCCCC3)C2)c1[O-] ZINC000742170156 867096511 /nfs/dbraw/zinc/09/65/11/867096511.db2.gz IOXJGGIGAPQHDK-GOSISDBHSA-N -1 3 394.515 3.637 20 10 GHCDHM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@H](CN3CCCCC3)C2)c1[O-] ZINC000742170156 867096528 /nfs/dbraw/zinc/09/65/28/867096528.db2.gz IOXJGGIGAPQHDK-GOSISDBHSA-N -1 3 394.515 3.637 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1[O-] ZINC000182834340 872846512 /nfs/dbraw/zinc/84/65/12/872846512.db2.gz MTEQPFBPCYCYHB-AWEZNQCLSA-N -1 3 385.361 3.786 20 10 GHCDHM COc1cc(C)sc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000768913937 873683418 /nfs/dbraw/zinc/68/34/18/873683418.db2.gz BKAOIMAIOPGGQU-OAHLLOKOSA-N -1 3 394.924 3.819 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cncn1-c1ccc(F)cc1 ZINC001198720552 874580003 /nfs/dbraw/zinc/58/00/03/874580003.db2.gz QJTFSJXABGLDAW-UHFFFAOYSA-N -1 3 396.809 3.849 20 10 GHCDHM Cn1ccnc1[C@@H](NCc1c([O-])cccc1Br)c1ccccc1F ZINC001199127068 874813266 /nfs/dbraw/zinc/81/32/66/874813266.db2.gz MJISVYWKRCJIPL-KRWDZBQOSA-N -1 3 390.256 3.907 20 10 GHCDHM [O-]c1c(CNc2cnc(OCc3ccncc3)nc2)cc(Cl)c2cccnc12 ZINC001168525618 878024213 /nfs/dbraw/zinc/02/42/13/878024213.db2.gz HTQQRRBJCZWWCG-UHFFFAOYSA-N -1 3 393.834 3.970 20 10 GHCDHM Cc1oc2c(ccc([O-])c2CN2CCC3(COC3)C2)c(=O)c1-c1ccccc1 ZINC000853595910 879153125 /nfs/dbraw/zinc/15/31/25/879153125.db2.gz ZWRKHHLHRQDACM-UHFFFAOYSA-N -1 3 377.440 3.696 20 10 GHCDHM [O-]c1c(Br)cccc1CN1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000093842302 912467826 /nfs/dbraw/zinc/46/78/26/912467826.db2.gz SDLQSDUASMTEOI-INIZCTEOSA-N -1 3 384.314 3.705 20 10 GHCDHM COCCN(C(=O)c1cccc(O)c1[O-])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000790596331 879851024 /nfs/dbraw/zinc/85/10/24/879851024.db2.gz FPKNUOWZHYSYHY-GFCCVEGCSA-N -1 3 383.366 3.966 20 10 GHCDHM O=C(NCc1ccco1)c1cccc(CNCc2c([O-])ccc(Cl)c2F)c1 ZINC000790949093 880094436 /nfs/dbraw/zinc/09/44/36/880094436.db2.gz QCORGLLLMJSTDO-UHFFFAOYSA-N -1 3 388.826 3.998 20 10 GHCDHM COc1ccc(N2CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)cc1F ZINC000792213625 881007664 /nfs/dbraw/zinc/00/76/64/881007664.db2.gz WPDCJPGKYJGEPQ-UHFFFAOYSA-N -1 3 380.419 3.656 20 10 GHCDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)Cc2ccc(N(C)C)cc2C)c(F)c1F ZINC001212201577 884791030 /nfs/dbraw/zinc/79/10/30/884791030.db2.gz FAXYACMBYOCIRM-CQSZACIVSA-N -1 3 382.476 3.557 20 10 GHCDHM COC(=O)c1cnc(C2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)s1 ZINC000862474751 886398124 /nfs/dbraw/zinc/39/81/24/886398124.db2.gz ZMEBVWJIGDRNSP-UHFFFAOYSA-N -1 3 384.860 3.807 20 10 GHCDHM CC(C)(C)OC(=O)NCc1cccc2c1N(C(=O)c1cccc(O)c1[O-])CCC2 ZINC000862827275 886667133 /nfs/dbraw/zinc/66/71/33/886667133.db2.gz OFQLBEOFKWJTLE-UHFFFAOYSA-N -1 3 398.459 3.716 20 10 GHCDHM C[C@@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000812740607 890920298 /nfs/dbraw/zinc/92/02/98/890920298.db2.gz GULVRNGKNAPMJV-GFCCVEGCSA-N -1 3 394.302 3.804 20 10 GHCDHM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000123906858 891100879 /nfs/dbraw/zinc/10/08/79/891100879.db2.gz DNJRUAJPTDEBSG-UHFFFAOYSA-N -1 3 388.489 3.855 20 10 GHCDHM CC(=O)c1cc(F)cc(CN(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)c1[O-] ZINC000748049980 894597716 /nfs/dbraw/zinc/59/77/16/894597716.db2.gz ZJRSACCCTDXPLE-GOSISDBHSA-N -1 3 390.842 3.625 20 10 GHCDHM CC(C)CO[C@@H](C)c1noc(CN(C)Cc2ccc(Br)cc2[O-])n1 ZINC000824913131 899875312 /nfs/dbraw/zinc/87/53/12/899875312.db2.gz IXGAQLRFGMKBAX-LBPRGKRZSA-N -1 3 398.301 3.903 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1[O-] ZINC000134635282 900098003 /nfs/dbraw/zinc/09/80/03/900098003.db2.gz KQXSPQSNHYUDRI-LRDDRELGSA-N -1 3 380.460 3.612 20 10 GHCDHM [O-]c1c(F)cccc1C[NH2+]Cc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826510701 901378878 /nfs/dbraw/zinc/37/88/78/901378878.db2.gz GOFDJNDIKRVWBN-UHFFFAOYSA-N -1 3 381.436 3.730 20 10 GHCDHM [O-]c1c(F)cccc1C[NH2+]Cc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826510701 901378891 /nfs/dbraw/zinc/37/88/91/901378891.db2.gz GOFDJNDIKRVWBN-UHFFFAOYSA-N -1 3 381.436 3.730 20 10 GHCDHM [O-]c1cc(F)c(Br)cc1CN1CCC2(CC(F)(F)CO2)CC1 ZINC001144293654 901626051 /nfs/dbraw/zinc/62/60/51/901626051.db2.gz RIQIWRPCYUUQGY-UHFFFAOYSA-N -1 3 380.204 3.684 20 10 GHCDHM [O-]c1cc(F)c(Br)cc1CN1CCC(O)(c2ccc(F)cc2)CC1 ZINC001144299870 901650864 /nfs/dbraw/zinc/65/08/64/901650864.db2.gz LANITGVSLBIKHV-UHFFFAOYSA-N -1 3 398.247 3.917 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c1[O-] ZINC001175562006 907637494 /nfs/dbraw/zinc/63/74/94/907637494.db2.gz ZNQIAPQOUDBKQD-ROUUACIJSA-N -1 3 392.471 3.708 20 10 GHCDHM CCN(C(=O)OC(C)(C)C)C1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC001177050005 908383088 /nfs/dbraw/zinc/38/30/88/908383088.db2.gz BFOFXKCFZJQHNR-UHFFFAOYSA-N -1 3 394.487 3.955 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCN(C)C[C@H]2c2ccccc2)c1 ZINC001179845554 909766159 /nfs/dbraw/zinc/76/61/59/909766159.db2.gz UTWUJPPIUONAOF-SFHVURJKSA-N -1 3 375.310 3.952 20 10 GHCDHM CN(C)c1ccc(/C=C/C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc1 ZINC001180130070 909942110 /nfs/dbraw/zinc/94/21/10/909942110.db2.gz UNGRACFEKCXMSE-JXMROGBWSA-N -1 3 381.863 3.989 20 10 GHCDHM CN(Cc1cc(Br)cn1C)Cc1c([O-])cccc1Br ZINC001180113208 909966363 /nfs/dbraw/zinc/96/63/63/909966363.db2.gz SKGJGVCTDQJAIQ-UHFFFAOYSA-N -1 3 388.103 3.888 20 10 GHCDHM [O-]c1c(F)cc(Cl)cc1CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001182712932 911997052 /nfs/dbraw/zinc/99/70/52/911997052.db2.gz DEDWGGMDMVEEOH-WOJBJXKFSA-N -1 3 390.886 3.660 20 10 GHCDHM CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)[N-]c3ccc(O)cc3C)ccc21 ZINC000901895883 921711079 /nfs/dbraw/zinc/71/10/79/921711079.db2.gz YDXZSNQIZXTPOA-UHFFFAOYSA-N -1 3 388.489 3.536 20 10 GHCDHM Cc1nn(C)c2nc(Cl)c(CNCc3cccc(Br)c3[O-])cc12 ZINC000775151014 915596551 /nfs/dbraw/zinc/59/65/51/915596551.db2.gz DGHVAUMNPHTKBU-UHFFFAOYSA-N -1 3 395.688 3.688 20 10 GHCDHM CC(=O)NCCN(Cc1ccc(C)s1)Cc1cccc(Br)c1[O-] ZINC000802652825 922309869 /nfs/dbraw/zinc/30/98/69/922309869.db2.gz KKVOHYCXGNKUOT-UHFFFAOYSA-N -1 3 397.338 3.663 20 10 GHCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cc2ncccc2o1 ZINC001137440193 925795391 /nfs/dbraw/zinc/79/53/91/925795391.db2.gz PRZJKQPSNIWCQQ-OAHLLOKOSA-N -1 3 385.851 3.581 20 10 GHCDHM CC(=O)c1cc(Cl)cc(CN2CCC(CC(=O)NC3CCCC3)CC2)c1[O-] ZINC000750040567 927401453 /nfs/dbraw/zinc/40/14/53/927401453.db2.gz YTWOBPQYPMDCBG-UHFFFAOYSA-N -1 3 392.927 3.909 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCN(Cc3cccc4cccnc43)CC2)c1[O-] ZINC000750816882 927870327 /nfs/dbraw/zinc/87/03/27/927870327.db2.gz BKMIEROCRRVEIS-UHFFFAOYSA-N -1 3 393.462 3.600 20 10 GHCDHM CC(=O)c1cc(F)cc(CN(C)Cc2cc3c(cc2OC(F)F)OCO3)c1[O-] ZINC000750825941 927878942 /nfs/dbraw/zinc/87/89/42/927878942.db2.gz FVCQFRJAMCQZQI-UHFFFAOYSA-N -1 3 397.349 3.696 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN(C)[C@H]2CCN(c3ccccc3)C2=O)c1 ZINC000781913533 931025005 /nfs/dbraw/zinc/02/50/05/931025005.db2.gz QWVAGFIEXUXJNR-KRWDZBQOSA-N -1 3 389.293 3.700 20 10 GHCDHM Cc1ccnc(OC2CCN(Cc3cccc(Br)c3[O-])CC2)c1 ZINC000783593936 931590863 /nfs/dbraw/zinc/59/08/63/931590863.db2.gz OHPFQNDMUUOFCW-UHFFFAOYSA-N -1 3 377.282 3.902 20 10 GHCDHM CC[C@H](Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)c1ccc(F)cc1[O-] ZINC000796919483 932109447 /nfs/dbraw/zinc/10/94/47/932109447.db2.gz NHKLAFKCJXOHJQ-INIZCTEOSA-N -1 3 389.452 3.684 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1 ZINC000797604404 932341794 /nfs/dbraw/zinc/34/17/94/932341794.db2.gz FJTHDNFUJQPWIM-SUNYJGFJSA-N -1 3 384.314 3.622 20 10 GHCDHM CCCc1occc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000798980885 932846554 /nfs/dbraw/zinc/84/65/54/932846554.db2.gz CSLRTNARNPMOMO-INIZCTEOSA-N -1 3 376.884 3.986 20 10 GHCDHM COc1ccc(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3C)cc1[N-]S(C)(=O)=O ZINC001116568182 933638001 /nfs/dbraw/zinc/63/80/01/933638001.db2.gz OORKBSBZWVCCBL-IUODEOHRSA-N -1 3 376.478 3.741 20 10 GHCDHM CN(Cc1ccc(N2CCCC2)cc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598519539 992662324 /nfs/dbraw/zinc/66/23/24/992662324.db2.gz XNCZYRSKDZIXOD-IBGZPJMESA-N -1 3 378.394 3.962 20 10 GHCDHM COc1ccc(N2CCC(N[C@H](C(=O)[O-])c3c(F)cccc3Cl)CC2)cc1 ZINC001599586733 993623655 /nfs/dbraw/zinc/62/36/55/993623655.db2.gz VISQVRKKUWVPGW-IBGZPJMESA-N -1 3 392.858 3.872 20 10 GHCDHM C[C@H]([NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593225796 994349114 /nfs/dbraw/zinc/34/91/14/994349114.db2.gz YGQHCMWKYZFYED-NWANDNLSSA-N -1 3 378.469 3.577 20 10 GHCDHM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001594167080 998640601 /nfs/dbraw/zinc/64/06/01/998640601.db2.gz JGNYALPTAUNQKK-UKRRQHHQSA-N -1 3 381.314 3.734 20 10 GHCDHM CN1CCC[C@@H](Oc2c(O)c([O-])cc3oc(-c4ccccc4)cc(=O)c32)CC1 ZINC001227505624 1032444771 /nfs/dbraw/zinc/44/47/71/1032444771.db2.gz PKGDBUAVIVHRAX-OAHLLOKOSA-N -1 3 381.428 3.734 20 10 GHCDHM CN1[C@@H]2CC[C@H]1C[C@@H](Oc1c(O)c([O-])cc3oc(-c4ccccc4)cc(=O)c31)C2 ZINC001227507495 1032445859 /nfs/dbraw/zinc/44/58/59/1032445859.db2.gz XQFDPTPDTXDXCO-ZSHCYNCHSA-N -1 3 393.439 3.875 20 10 GHCDHM COC(=O)[C@@H](Oc1c(O)c([O-])ccc1C(=O)c1ccccc1)c1ccccc1 ZINC001227938154 1032705411 /nfs/dbraw/zinc/70/54/11/1032705411.db2.gz RIMGFGZWJGUSCC-FQEVSTJZSA-N -1 3 378.380 3.622 20 10 GHCDHM Cc1cc(I)cc(C(=O)NCc2c([O-])cccc2F)c1C ZINC001156169980 1032911396 /nfs/dbraw/zinc/91/13/96/1032911396.db2.gz AMYMRDSQEQEVBL-UHFFFAOYSA-N -1 3 399.203 3.683 20 10 GHCDHM CS(=O)(=O)c1cccc([C@H]2CCCN(Cc3c([O-])cccc3Cl)C2)c1 ZINC001140341923 1021453385 /nfs/dbraw/zinc/45/33/85/1021453385.db2.gz LDWRFZWQOBFDFA-HNNXBMFYSA-N -1 3 379.909 3.829 20 10 GHCDHM [O-]c1cccc(Cl)c1CN1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001140344458 1021457989 /nfs/dbraw/zinc/45/79/89/1021457989.db2.gz KHSZIFPKPAJQGB-OZOXKJRCSA-N -1 3 388.895 3.637 20 10 GHCDHM [O-]c1cc(Cl)ccc1CN1CCN(c2ccc(Br)cn2)CC1 ZINC001140461950 1021751387 /nfs/dbraw/zinc/75/13/87/1021751387.db2.gz ZUZCXRIKCVRWKN-UHFFFAOYSA-N -1 3 382.689 3.525 20 10 GHCDHM CCOC[C@H]1CN(Cc2ccc(Cl)cc2[O-])Cc2ncn(CC3CC3)c21 ZINC001140462637 1021753843 /nfs/dbraw/zinc/75/38/43/1021753843.db2.gz JTJYYYACAHAIOG-MRXNPFEDSA-N -1 3 375.900 3.788 20 10 GHCDHM O=S1(=O)CCN(Cc2c3c(ccc2[O-])oc2c3CCCC2)[C@H]2CCCC[C@H]21 ZINC000754012885 1022424414 /nfs/dbraw/zinc/42/44/14/1022424414.db2.gz LZFRSTNQIDZYRI-OXJNMPFZSA-N -1 3 389.517 3.559 20 10 GHCDHM COc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cc1NC(C)=O ZINC000755986288 1023467908 /nfs/dbraw/zinc/46/79/08/1023467908.db2.gz QUGIXSMQSNRKIT-UHFFFAOYSA-N -1 3 392.477 3.592 20 10 GHCDHM C[C@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[n-]1)c1ccc(Br)cc1[O-] ZINC000756742132 1023795496 /nfs/dbraw/zinc/79/54/96/1023795496.db2.gz KFTPQXOHUYHJBK-JTQLQIEISA-N -1 3 391.244 3.930 20 10 GHCDHM COc1ccc(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1[N-]S(C)(=O)=O ZINC000756869392 1023841267 /nfs/dbraw/zinc/84/12/67/1023841267.db2.gz VJKXQAPNQMRQAK-QMTHXVAHSA-N -1 3 380.441 3.572 20 10 GHCDHM CN(Cc1ccco1)Cc1cncc2c1CCN(Cc1cccc(F)c1[O-])C2 ZINC001138126516 1024171946 /nfs/dbraw/zinc/17/19/46/1024171946.db2.gz CJCZXNDDNSGDKF-UHFFFAOYSA-N -1 3 381.451 3.710 20 10 GHCDHM [O-]c1c(F)cccc1CN1CCN(c2ccc(C(F)(F)F)c(Cl)n2)CC1 ZINC001138127943 1024175343 /nfs/dbraw/zinc/17/53/43/1024175343.db2.gz YBJICKJZOAKAEU-UHFFFAOYSA-N -1 3 389.780 3.921 20 10 GHCDHM [O-]c1c(F)cc(Br)cc1CN1CCN(CCc2ccccc2)CC1 ZINC001205130708 1033269694 /nfs/dbraw/zinc/26/96/94/1033269694.db2.gz RJHBGGAKTXDRCW-UHFFFAOYSA-N -1 3 393.300 3.654 20 10 GHCDHM CCOc1ccc(N2CCN(Cc3c([O-])ccc4c(C)cc(=O)oc43)CC2)cc1 ZINC001139133692 1025945979 /nfs/dbraw/zinc/94/59/79/1025945979.db2.gz LZNYFXRRESKQPB-UHFFFAOYSA-N -1 3 394.471 3.528 20 10 GHCDHM Cc1cccc(COCc2cnc3n2CCN(Cc2cc(F)ccc2[O-])[C@@H]3C)n1 ZINC001140054442 1026834151 /nfs/dbraw/zinc/83/41/51/1026834151.db2.gz QLBRWSHTEJSHOB-MRXNPFEDSA-N -1 3 396.466 3.725 20 10 GHCDHM [O-]c1cccc(Br)c1CN1CCN(c2noc3ccccc32)CC1 ZINC001140098803 1026874582 /nfs/dbraw/zinc/87/45/82/1026874582.db2.gz LUICZTXKZXPNOT-UHFFFAOYSA-N -1 3 388.265 3.618 20 10 GHCDHM CCOC[C@H]1CN(Cc2c([O-])cccc2Br)Cc2nn(CC)cc21 ZINC001140099720 1026878383 /nfs/dbraw/zinc/87/83/83/1026878383.db2.gz QYUXRLMCCQGZBU-CYBMUJFWSA-N -1 3 394.313 3.507 20 10 GHCDHM [O-]c1cccc(Br)c1CN1CCN(c2ccc(Cl)cn2)CC1 ZINC001140101105 1026879171 /nfs/dbraw/zinc/87/91/71/1026879171.db2.gz KZMPVDUMKYBVBC-UHFFFAOYSA-N -1 3 382.689 3.525 20 10 GHCDHM CC(C)(C)OC(=O)NC1CC2(C1)CN(Cc1cc(Br)ccc1[O-])C2 ZINC001203645791 1027503747 /nfs/dbraw/zinc/50/37/47/1027503747.db2.gz RZYXFODNUAHKMU-UHFFFAOYSA-N -1 3 397.313 3.644 20 10 GHCDHM CCOc1ccc(N2CCN(Cc3cc(Br)ccc3[O-])CC2)cc1 ZINC001203649705 1027504798 /nfs/dbraw/zinc/50/47/98/1027504798.db2.gz BPHVHVLJRAULBA-UHFFFAOYSA-N -1 3 391.309 3.876 20 10 GHCDHM Cc1nc(-c2noc(-c3ccc([O-])c(O)c3Cl)n2)ccc1Br ZINC001216954351 1030026613 /nfs/dbraw/zinc/02/66/13/1030026613.db2.gz XBCQBIUIAYVOIC-UHFFFAOYSA-N -1 3 382.601 3.934 20 10 GHCDHM Cc1c(Br)cncc1-c1noc(-c2ccc([O-])c(O)c2Cl)n1 ZINC001216954131 1030026820 /nfs/dbraw/zinc/02/68/20/1030026820.db2.gz QLBFMXVNPJQTQK-UHFFFAOYSA-N -1 3 382.601 3.934 20 10 GHCDHM C[C@@H](CNC(=O)NCc1c([O-])cccc1F)Oc1cccc(Br)c1 ZINC001222640365 1030253921 /nfs/dbraw/zinc/25/39/21/1030253921.db2.gz WIXPWFVGRHKZDT-NSHDSACASA-N -1 3 397.244 3.561 20 10 GHCDHM Cc1nc2ccc(F)cn2c1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001154019184 1031876296 /nfs/dbraw/zinc/87/62/96/1031876296.db2.gz PJKYKVVFNFHUHJ-UHFFFAOYSA-N -1 3 384.798 3.619 20 10 GHCDHM CC(C)(C)OC(=O)N1CCC(n2cc(NCc3cccc(F)c3[O-])cn2)CC1 ZINC001205283434 1033341366 /nfs/dbraw/zinc/34/13/66/1033341366.db2.gz DKABLAVVYOQSEO-UHFFFAOYSA-N -1 3 390.459 3.912 20 10 GHCDHM O=c1ccccn1Cc1ccc(NCc2cc(Cl)c3cccnc3c2[O-])nc1 ZINC001157727914 1033742583 /nfs/dbraw/zinc/74/25/83/1033742583.db2.gz RVPZHPHAYNGNKT-UHFFFAOYSA-N -1 3 392.846 3.811 20 10 GHCDHM CC(C)(C)OC(=O)Nc1ccc2c(c1)CN(Cc1cc(C(=O)[O-])ccc1O)CC2 ZINC001231565802 1034715251 /nfs/dbraw/zinc/71/52/51/1034715251.db2.gz CKLJXGROQNRZDF-UHFFFAOYSA-N -1 3 398.459 3.996 20 10 GHCDHM COc1ccc(CN2[C@H](C)CCC[C@@H]2C)c([O-])c1I ZINC001248476371 1035904034 /nfs/dbraw/zinc/90/40/34/1035904034.db2.gz DVMQJSGXISMQKM-PHIMTYICSA-N -1 3 375.250 3.768 20 10 GHCDHM CC(C)(C)OC(=O)N1CCCCC12CN(Cc1cc(Cl)c([O-])cc1O)C2 ZINC001232262552 1037982916 /nfs/dbraw/zinc/98/29/16/1037982916.db2.gz JELNZUDMTLLFHM-UHFFFAOYSA-N -1 3 382.888 3.727 20 10 GHCDHM COc1cc([O-])c(CN2CCC[C@@H]3[C@H]2CN3C(=O)OC(C)(C)C)cc1Cl ZINC001232269046 1037991575 /nfs/dbraw/zinc/99/15/75/1037991575.db2.gz ZRADNESHSGFOGJ-HUUCEWRRSA-N -1 3 382.888 3.638 20 10 GHCDHM [O-]c1cc(I)ccc1CN1CCc2cc(F)ccc2C1 ZINC001232980585 1038749169 /nfs/dbraw/zinc/74/91/69/1038749169.db2.gz TUZSSSZOFDFNPY-UHFFFAOYSA-N -1 3 383.204 3.694 20 10 GHCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001233333104 1039130671 /nfs/dbraw/zinc/13/06/71/1039130671.db2.gz JVKXGWVPKOLTJL-NQIIRXRSSA-N -1 3 390.430 3.516 20 10 GHCDHM CC(C)(C)OC(=O)N1CC2(C1)CCN(Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001233416835 1039274845 /nfs/dbraw/zinc/27/48/45/1039274845.db2.gz YFMXPCVKTZQLOI-UHFFFAOYSA-N -1 3 386.414 3.854 20 10 GHCDHM Cn1cc2c(n1)CN(Cc1ccc(C(F)(F)F)cc1[O-])C[C@H]2COCC1CC1 ZINC001233452972 1039335510 /nfs/dbraw/zinc/33/55/10/1039335510.db2.gz PSTXAPIXEJEPMS-HNNXBMFYSA-N -1 3 395.425 3.671 20 10 GHCDHM Cc1cc(CCNC(=O)NCc2c([O-])cccc2F)c(C)n1-c1ccccc1 ZINC001253808421 1039820884 /nfs/dbraw/zinc/82/08/84/1039820884.db2.gz SBJWKXDDMSUWRI-UHFFFAOYSA-N -1 3 381.451 3.981 20 10 GHCDHM CC[C@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1ccc(OC)c(Cl)c1[O-] ZINC001277833330 1039870003 /nfs/dbraw/zinc/87/00/03/1039870003.db2.gz HYWYJCYEMPBWDS-VBKZILBWSA-N -1 3 380.916 3.810 20 10 GHCDHM COc1c(O[C@@H]2CC=C(OC)CC2)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234130529 1039870464 /nfs/dbraw/zinc/87/04/64/1039870464.db2.gz MBLWABCBEPVCPZ-CQSZACIVSA-N -1 3 394.423 3.946 20 10 GHCDHM CC(C)C(=O)N1CCC[C@]12CCN(Cc1cc(F)cc(Br)c1[O-])C2 ZINC001235301858 1040774087 /nfs/dbraw/zinc/77/40/87/1040774087.db2.gz KLIFGQZQMUFZPR-GOSISDBHSA-N -1 3 399.304 3.517 20 10 GHCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCc2ncnc(N3CCCC3)c2CC1 ZINC001236789699 1041895360 /nfs/dbraw/zinc/89/53/60/1041895360.db2.gz ICHGMIAJHTWITA-UHFFFAOYSA-N -1 3 393.318 3.690 20 10 GHCDHM Cn1cc([C@H]2COC3(C2)CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC3)cn1 ZINC001236790761 1041896456 /nfs/dbraw/zinc/89/64/56/1041896456.db2.gz UDNZLFFFXFDZLJ-CQSZACIVSA-N -1 3 396.318 3.971 20 10 GHCDHM COc1ccnc(OC2CCN(Cc3cc(Cl)c(Cl)cc3[O-])CC2)n1 ZINC001236803808 1041905861 /nfs/dbraw/zinc/90/58/61/1041905861.db2.gz PFHXFWCRMLUDGB-UHFFFAOYSA-N -1 3 384.263 3.541 20 10 GHCDHM COc1cc([O-])c(CN2CCN(Cc3c(F)cccc3F)CC2)c(Cl)c1 ZINC001236807558 1041908571 /nfs/dbraw/zinc/90/85/71/1041908571.db2.gz HVQZYBNAJDZOEU-UHFFFAOYSA-N -1 3 382.838 3.650 20 10 GHCDHM COc1cc([O-])c(CN2CCN(C[C@@H](OC)c3ccccc3)CC2)c(Cl)c1 ZINC001236808532 1041909404 /nfs/dbraw/zinc/90/94/04/1041909404.db2.gz OHGHFTXHHZBBBR-OAQYLSRUSA-N -1 3 390.911 3.560 20 10 GHCDHM COc1ccc2c(c1)CN(Cc1c([O-])cc(OC)cc1Br)CC2 ZINC001237064248 1042017119 /nfs/dbraw/zinc/01/71/19/1042017119.db2.gz YNPWNMMCDZVEHR-UHFFFAOYSA-N -1 3 378.266 3.730 20 10 GHCDHM COC(=O)c1cccc(CN(C)Cc2c([O-])cc(OC)cc2Br)c1 ZINC001237070513 1042021415 /nfs/dbraw/zinc/02/14/15/1042021415.db2.gz OGLVKCQAZHEADO-UHFFFAOYSA-N -1 3 394.265 3.582 20 10 GHCDHM COc1cc([O-])c(CN2CC(Oc3ccc(F)cc3)C2)c(Br)c1 ZINC001237070465 1042021577 /nfs/dbraw/zinc/02/15/77/1042021577.db2.gz NAAQAOWBXMQYDB-UHFFFAOYSA-N -1 3 382.229 3.566 20 10 GHCDHM COc1cc([O-])c(CN2CCO[C@@H](Cc3ccccc3)C2)c(Br)c1 ZINC001237071708 1042021645 /nfs/dbraw/zinc/02/16/45/1042021645.db2.gz WQQZYNJDHBEWBV-INIZCTEOSA-N -1 3 392.293 3.607 20 10 GHCDHM Cc1noc([C@H]2C[C@@H]3CCN(Cc4c([O-])ccc(Cl)c4Cl)C[C@H]3O2)n1 ZINC001237078960 1042024351 /nfs/dbraw/zinc/02/43/51/1042024351.db2.gz DXPJBSNAZQPLFB-COLVAYQJSA-N -1 3 384.263 3.743 20 10 GHCDHM O=C1C[C@@]2(CCN(Cc3c([O-])ccc(Cl)c3Cl)C2)CN1c1ccccn1 ZINC001237080443 1042026856 /nfs/dbraw/zinc/02/68/56/1042026856.db2.gz MCAMNUJSRINMJQ-LJQANCHMSA-N -1 3 392.286 3.723 20 10 GHCDHM CN(CC(=O)NCCC1=CCCCC1)Cc1ccc(Br)cc1[O-] ZINC001462608986 1070411210 /nfs/dbraw/zinc/41/12/10/1070411210.db2.gz ZVFJAJNEAWGARB-UHFFFAOYSA-N -1 3 381.314 3.593 20 10 GHCDHM C[C@@H]1CN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])C[C@H](C)N1C ZINC001237785061 1042368560 /nfs/dbraw/zinc/36/85/60/1042368560.db2.gz ANYOVXBCNZHFKX-AOOOYVTPSA-N -1 3 381.236 3.698 20 10 GHCDHM O=C1Nc2ncccc2C2(CCN(Cc3cc(F)cc(Cl)c3[O-])CC2)O1 ZINC001237799064 1042375531 /nfs/dbraw/zinc/37/55/31/1042375531.db2.gz NQSQOTTWRIXFLY-UHFFFAOYSA-N -1 3 377.803 3.633 20 10 GHCDHM [O-]c1c(Cl)cc(F)cc1CN1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001237799342 1042376752 /nfs/dbraw/zinc/37/67/52/1042376752.db2.gz GXVDQVWDZABLID-FXAWDEMLSA-N -1 3 392.858 3.782 20 10 GHCDHM O=C1NC2(C[C@@H]1c1ccccc1)CCN(Cc1cc(F)cc(Cl)c1[O-])CC2 ZINC001237812216 1042381179 /nfs/dbraw/zinc/38/11/79/1042381179.db2.gz FALCUNNHDXWWMZ-QGZVFWFLSA-N -1 3 388.870 3.823 20 10 GHCDHM CC(C)(C)OC(=O)NCCc1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC001303876395 1047526286 /nfs/dbraw/zinc/52/62/86/1047526286.db2.gz ZQGSBUVCSNTXKA-UHFFFAOYSA-N -1 3 388.439 3.529 20 10 GHCDHM COc1cccc(OC)c1OC1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001308584981 1050019939 /nfs/dbraw/zinc/01/99/39/1050019939.db2.gz MQBLTVDEHHLRLD-UHFFFAOYSA-N -1 3 379.403 3.731 20 10 GHCDHM CCOCCCn1c(-c2sc3ncccc3c2[O-])nnc1N1CC2CC1(C)C2 ZINC001343840151 1054060458 /nfs/dbraw/zinc/06/04/58/1054060458.db2.gz NJUSEGJAJPHHHA-UHFFFAOYSA-N -1 3 399.520 3.676 20 10 GHCDHM Cc1cc(Cn2c(-c3sc4ncccc4c3[O-])nnc2N(C)C2CCC2)no1 ZINC001346868355 1061946994 /nfs/dbraw/zinc/94/69/94/1061946994.db2.gz IGURJTTUVHIFJT-UHFFFAOYSA-N -1 3 396.476 3.594 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)c1cc(Br)cc2cccnc21 ZINC001456030274 1062418768 /nfs/dbraw/zinc/41/87/68/1062418768.db2.gz RZXFSUXSKLDKIC-UHFFFAOYSA-N -1 3 375.197 3.772 20 10 GHCDHM Cc1cc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c(C)n1-c1ccc(Cl)cc1 ZINC001469715123 1068333381 /nfs/dbraw/zinc/33/33/81/1068333381.db2.gz MLCZQTIPPNRIIV-AWEZNQCLSA-N -1 3 384.867 3.806 20 10 GHCDHM CCCNC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001474309599 1074334669 /nfs/dbraw/zinc/33/46/69/1074334669.db2.gz FHQVXFDEMDXTSN-LLVKDONJSA-N -1 3 389.721 3.546 20 10 GHCDHM Cc1ccnc(CNCc2cccc(Br)c2[O-])c1Br ZINC001474496467 1074432387 /nfs/dbraw/zinc/43/23/87/1074432387.db2.gz MXVKZYWRUCRYQI-UHFFFAOYSA-N -1 3 386.087 3.910 20 10 GHCDHM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1ccccc1O ZINC001475585795 1074920748 /nfs/dbraw/zinc/92/07/48/1074920748.db2.gz JNUHLZUNRODAMG-QMMMGPOBSA-N -1 3 391.232 3.647 20 10 GHCDHM CCN(CC)c1ccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000736533290 599046571 /nfs/dbraw/zinc/04/65/71/599046571.db2.gz XUIIILWMLLLOPC-UHFFFAOYSA-N -1 3 391.401 3.739 20 10 GHCDHM CCN(CC)c1ccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000736533290 599046573 /nfs/dbraw/zinc/04/65/73/599046573.db2.gz XUIIILWMLLLOPC-UHFFFAOYSA-N -1 3 391.401 3.739 20 10 GHCDHM Cc1cc(C(=O)N2CCC[C@@H](C)[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233023 599102497 /nfs/dbraw/zinc/10/24/97/599102497.db2.gz CQYBWKIERVWDKW-UKRRQHHQSA-N -1 3 378.480 3.535 20 10 GHCDHM Cc1cc(C(=O)N(C)CC2CCCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737228160 598611946 /nfs/dbraw/zinc/61/19/46/598611946.db2.gz VZLPBIOSOOIVJR-UHFFFAOYSA-N -1 3 378.480 3.536 20 10 GHCDHM Cc1ccc(N2C(=O)C(=Cc3ccccc3-c3nnn[n-]3)SC2=S)cc1 ZINC000826289732 607883645 /nfs/dbraw/zinc/88/36/45/607883645.db2.gz KYQXRHAAQGOSRF-XNTDXEJSSA-N -1 3 379.470 3.581 20 10 GHCDHM Cc1ccc(N2C(=O)C(=Cc3ccccc3-c3nn[n-]n3)SC2=S)cc1 ZINC000826289732 607883646 /nfs/dbraw/zinc/88/36/46/607883646.db2.gz KYQXRHAAQGOSRF-XNTDXEJSSA-N -1 3 379.470 3.581 20 10 GHCDHM CCOc1cccc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1OC(F)F ZINC000278462617 835154386 /nfs/dbraw/zinc/15/43/86/835154386.db2.gz FJLQNPSEOKCDNC-UHFFFAOYSA-N -1 3 398.362 3.599 20 10 GHCDHM CC(=O)NCC[C@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894781417 852198544 /nfs/dbraw/zinc/19/85/44/852198544.db2.gz OTSBCHIDQBTRLM-GFCCVEGCSA-N -1 3 389.721 3.546 20 10 GHCDHM CC[C@@H](C)NS(=O)(=O)Cc1cccc(N[C@H](C)c2ccc(F)cc2[O-])c1 ZINC000186492559 856421019 /nfs/dbraw/zinc/42/10/19/856421019.db2.gz LAIORHKHOFGGAC-ZIAGYGMSSA-N -1 3 380.485 3.922 20 10 GHCDHM Cc1cc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c(C)n1-c1ccccn1 ZINC000161178551 859678823 /nfs/dbraw/zinc/67/88/23/859678823.db2.gz ZTWOQEQGAASGQR-UHFFFAOYSA-N -1 3 399.454 3.800 20 10 GHCDHM O=C(c1ccc(Cl)cc1F)N1CCN(Cc2c([O-])ccc3ccncc32)CC1 ZINC000727167110 859980997 /nfs/dbraw/zinc/98/09/97/859980997.db2.gz GEPOBSXSHNAFTJ-UHFFFAOYSA-N -1 3 399.853 3.691 20 10 GHCDHM O=S(=O)([N-]CCCSc1nccs1)c1csc(-c2ccccc2)n1 ZINC000735315225 864738263 /nfs/dbraw/zinc/73/82/63/864738263.db2.gz HJSDVYNFTNNZPI-UHFFFAOYSA-N -1 3 397.572 3.727 20 10 GHCDHM CCOC(=O)c1nc(CN(CC)Cc2cc(Br)ccc2[O-])cs1 ZINC000743871167 868467728 /nfs/dbraw/zinc/46/77/28/868467728.db2.gz UKSQQYBCDPUDLV-UHFFFAOYSA-N -1 3 399.310 3.810 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ncnc(Cl)c1Cl ZINC001195031360 872116718 /nfs/dbraw/zinc/11/67/18/872116718.db2.gz KLRUGMSBKVIWDW-UHFFFAOYSA-N -1 3 383.622 3.621 20 10 GHCDHM COc1cc2c(cc1CNCc1cc(Br)cc(F)c1[O-])O[C@@H](C)C2 ZINC001199144662 874820933 /nfs/dbraw/zinc/82/09/33/874820933.db2.gz UTHATWHRRIMXPC-JTQLQIEISA-N -1 3 396.256 3.916 20 10 GHCDHM Cc1ccc2oc(C(=O)N[C@@H]3CCCN(Cc4cc(Cl)ccc4[O-])C3)cc2n1 ZINC000771053077 875012318 /nfs/dbraw/zinc/01/23/18/875012318.db2.gz KKQXGQGNACWBHJ-MRXNPFEDSA-N -1 3 399.878 3.890 20 10 GHCDHM COc1ccc(NC(=O)c2cccc(O)c2[O-])cc1NC(=O)c1cccc(F)c1 ZINC000776336813 876290302 /nfs/dbraw/zinc/29/03/02/876290302.db2.gz OOSJFNZNEWQUAF-UHFFFAOYSA-N -1 3 396.374 3.750 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNc2ccn(CC(=O)OC(C)(C)C)n2)c1 ZINC000853091650 878808291 /nfs/dbraw/zinc/80/82/91/878808291.db2.gz YJQYNWPFJPEMTQ-UHFFFAOYSA-N -1 3 396.285 3.613 20 10 GHCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000790559459 879817003 /nfs/dbraw/zinc/81/70/03/879817003.db2.gz NBWHQJLDZJTVMR-CYBMUJFWSA-N -1 3 394.402 3.980 20 10 GHCDHM Cc1ccc([C@H](CN2CCOCC2)NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000790947651 880093556 /nfs/dbraw/zinc/09/35/56/880093556.db2.gz VLVXEJNHZDICJN-SFHVURJKSA-N -1 3 378.875 3.656 20 10 GHCDHM C[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])[C@@H]1CCCNC(=O)OC(C)(C)C ZINC000855963078 880877981 /nfs/dbraw/zinc/87/79/81/880877981.db2.gz VZAWFDXGGYUEPZ-GDBMZVCRSA-N -1 3 392.496 3.643 20 10 GHCDHM Cc1ccccc1N=Nc1ccc(NC(=O)Cn2cc(F)c(=O)[n-]c2=O)c(C)c1 ZINC001183660690 912742997 /nfs/dbraw/zinc/74/29/97/912742997.db2.gz KFGVKQJCOUBISN-OCOZRVBESA-N -1 3 395.394 3.759 20 10 GHCDHM Cc1cc(Br)c([O-])c(CNCc2cc(C(F)(F)F)n(C)n2)c1 ZINC000898021320 884559078 /nfs/dbraw/zinc/55/90/78/884559078.db2.gz BVZRKEXHCLIXJT-UHFFFAOYSA-N -1 3 378.192 3.505 20 10 GHCDHM CCNC(=O)OC[C@H]1CCCCN1Cc1cc(C)cc(Br)c1[O-] ZINC000809691346 887667556 /nfs/dbraw/zinc/66/75/56/887667556.db2.gz LNNJEXVCDPFQGT-CQSZACIVSA-N -1 3 385.302 3.564 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1 ZINC000809771482 887761982 /nfs/dbraw/zinc/76/19/82/887761982.db2.gz MUVRMFTWMPIOHW-WFASDCNBSA-N -1 3 399.329 3.951 20 10 GHCDHM COc1c([O-])c(CNCc2ccncc2OCCC(C)(C)C)ccc1[N+](=O)[O-] ZINC000809784715 887834797 /nfs/dbraw/zinc/83/47/97/887834797.db2.gz YOQKXNIVBDOUHZ-UHFFFAOYSA-N -1 3 389.452 3.809 20 10 GHCDHM C[C@H](NCc1c(Br)cnn1C)c1cccc(C(F)(F)F)c1[O-] ZINC000866432195 888873023 /nfs/dbraw/zinc/87/30/23/888873023.db2.gz MXGCITGHNVLZCA-QMMMGPOBSA-N -1 3 378.192 3.758 20 10 GHCDHM COc1ccc([C@H]2CCCN2Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c(OC)c1 ZINC000774820649 913646717 /nfs/dbraw/zinc/64/67/17/913646717.db2.gz CZUKVHQACMCFHQ-MRXNPFEDSA-N -1 3 388.420 3.663 20 10 GHCDHM COc1c([O-])c(CN(Cc2cccs2)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000774821677 913650032 /nfs/dbraw/zinc/65/00/32/913650032.db2.gz UOPBWTFWSDNTHI-CQSZACIVSA-N -1 3 378.450 3.552 20 10 GHCDHM CCCN(Cc1ccccc1O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126282990 893434864 /nfs/dbraw/zinc/43/48/64/893434864.db2.gz DAMYGILBFMJAKA-UHFFFAOYSA-N -1 3 393.281 3.982 20 10 GHCDHM [O-]c1c(Cl)cc(Cl)cc1CNCc1ccncc1OC[C@H]1CCOC1 ZINC000288454951 913771993 /nfs/dbraw/zinc/77/19/93/913771993.db2.gz NHJWXPSUKIPCRU-LBPRGKRZSA-N -1 3 383.275 3.799 20 10 GHCDHM CC[C@H](C)CO[N-]C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000816979993 895236839 /nfs/dbraw/zinc/23/68/39/895236839.db2.gz CIVMNNOZGDTXGN-GVIGZQTCSA-N -1 3 398.575 3.823 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1Cc1ccccc1Br ZINC000817625266 895766234 /nfs/dbraw/zinc/76/62/34/895766234.db2.gz LBOLEHSJRCSBAK-ZDUSSCGKSA-N -1 3 376.250 3.708 20 10 GHCDHM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000817882026 895948399 /nfs/dbraw/zinc/94/83/99/895948399.db2.gz VFYHTYWIVSKWRO-GDBMZVCRSA-N -1 3 395.341 3.982 20 10 GHCDHM COc1cccc(C=C2CCN(Cc3ccc([N+](=O)[O-])c(OC)c3[O-])CC2)c1 ZINC000774912964 914020606 /nfs/dbraw/zinc/02/06/06/914020606.db2.gz PFECINRFTSDEEV-UHFFFAOYSA-N -1 3 384.432 3.997 20 10 GHCDHM COc1c([O-])c(CNc2cccc(-c3n[nH]c(C4CC4)n3)c2)ccc1[N+](=O)[O-] ZINC000774926477 914091687 /nfs/dbraw/zinc/09/16/87/914091687.db2.gz BMDBPGYMUYVFCV-UHFFFAOYSA-N -1 3 381.392 3.584 20 10 GHCDHM COc1ccc(N2CC[C@H](CNC(=O)c3cc([O-])c4ccccc4c3)C2)cc1 ZINC000819588461 896837681 /nfs/dbraw/zinc/83/76/81/896837681.db2.gz MOCOZWHHLWJGQR-MRXNPFEDSA-N -1 3 376.456 3.810 20 10 GHCDHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(N(C)C3CCCCC3)cc2)s1 ZINC001186046168 914281443 /nfs/dbraw/zinc/28/14/43/914281443.db2.gz FPCISZXLQCRKKB-UHFFFAOYSA-N -1 3 393.578 3.953 20 10 GHCDHM Cc1cc([O-])c(CN2CCCN(C(=O)c3ccccc3F)CC2)cc1Cl ZINC000824556322 899686537 /nfs/dbraw/zinc/68/65/37/899686537.db2.gz PKXUGHXVAUAXHE-UHFFFAOYSA-N -1 3 376.859 3.841 20 10 GHCDHM Cc1cc([O-])c(CN2CCn3c(Cc4cccc(F)c4)nnc3C2)c(Cl)c1 ZINC000845999147 902581711 /nfs/dbraw/zinc/58/17/11/902581711.db2.gz UEANOMSUPOIZHB-UHFFFAOYSA-N -1 3 386.858 3.691 20 10 GHCDHM O=C([O-])c1cnn2c1[nH]c(CN1CCCCC[C@@H]1/C=C\c1ccccc1)cc2=O ZINC000846257582 902831064 /nfs/dbraw/zinc/83/10/64/902831064.db2.gz SCSDFXACOIIUAH-RXQFDZFGSA-N -1 3 392.459 3.591 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cnccc1C(F)(F)F ZINC001147274531 903752876 /nfs/dbraw/zinc/75/28/76/903752876.db2.gz GLXDZJLBNCGXAH-UHFFFAOYSA-N -1 3 381.741 3.938 20 10 GHCDHM CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)c1cccc(O)c1[O-] ZINC000773080696 904416558 /nfs/dbraw/zinc/41/65/58/904416558.db2.gz YOBRUPVLVXNNJT-GFCCVEGCSA-N -1 3 376.250 3.837 20 10 GHCDHM C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1cc(Br)ccc1[O-] ZINC000179938649 906639381 /nfs/dbraw/zinc/63/93/81/906639381.db2.gz OHFKNMBAVUEZAR-LBPRGKRZSA-N -1 3 398.322 3.751 20 10 GHCDHM Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)c([O-])c1O ZINC000773844971 910050673 /nfs/dbraw/zinc/05/06/73/910050673.db2.gz HKSASKSFIZBGPU-UHFFFAOYSA-N -1 3 384.432 3.808 20 10 GHCDHM C[C@@H]1CN(Cc2ccc(Br)cc2[O-])CCN1C(=O)OC(C)(C)C ZINC001180897818 910444322 /nfs/dbraw/zinc/44/43/22/910444322.db2.gz YYVDQEYPNOQZRX-GFCCVEGCSA-N -1 3 385.302 3.596 20 10 GHCDHM CN(C)c1ccc(CCC(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc1 ZINC001182003163 911120880 /nfs/dbraw/zinc/12/08/80/911120880.db2.gz KTWIZWVLNZVLEW-UHFFFAOYSA-N -1 3 383.879 3.909 20 10 GHCDHM CCc1c(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cnn1-c1ccccc1C ZINC000775114112 915205903 /nfs/dbraw/zinc/20/59/03/915205903.db2.gz AGVMVUMNKMRKGG-UHFFFAOYSA-N -1 3 382.420 3.978 20 10 GHCDHM O=C(CCc1cnc2[nH]ccc2c1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001187558430 915325138 /nfs/dbraw/zinc/32/51/38/915325138.db2.gz MWZKRIDGHVFBDZ-UHFFFAOYSA-N -1 3 380.835 3.719 20 10 GHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccc(N2CCCCC2)nc1 ZINC001190418884 917326829 /nfs/dbraw/zinc/32/68/29/917326829.db2.gz CFTJISYJNCCCCC-UHFFFAOYSA-N -1 3 396.878 3.909 20 10 GHCDHM C[C@H](N[C@H](Cn1ccccc1=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000800504511 920205847 /nfs/dbraw/zinc/20/58/47/920205847.db2.gz CEKMDMOGRDVFTM-HNAYVOBHSA-N -1 3 379.416 3.554 20 10 GHCDHM C[C@@H](c1ccccc1)N(C)C(=O)CN(C)Cc1cc(Br)ccc1[O-] ZINC000800544194 920261424 /nfs/dbraw/zinc/26/14/24/920261424.db2.gz ZPPRTIHDOMASQJ-AWEZNQCLSA-N -1 3 391.309 3.806 20 10 GHCDHM C[C@@H](NCc1nc(CN(C)C)cs1)c1cc(Br)c(F)cc1[O-] ZINC000903220523 922865217 /nfs/dbraw/zinc/86/52/17/922865217.db2.gz ORVFJNOGURWXFJ-SECBINFHSA-N -1 3 388.306 3.663 20 10 GHCDHM Cc1cc(C)c([N-]S(=O)(=O)c2cccc3nsnc32)c(Br)c1 ZINC000388530415 926382152 /nfs/dbraw/zinc/38/21/52/926382152.db2.gz RPMRSAZCSWZKKL-UHFFFAOYSA-N -1 3 398.307 3.871 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCN(c3nc4ccccc4s3)CC2)c1[O-] ZINC000750817868 927871359 /nfs/dbraw/zinc/87/13/59/927871359.db2.gz WQLYPSNRVQITMF-UHFFFAOYSA-N -1 3 385.464 3.666 20 10 GHCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)c1[O-] ZINC000750827103 927879051 /nfs/dbraw/zinc/87/90/51/927879051.db2.gz ILZXVYRSONYTJT-MRXNPFEDSA-N -1 3 380.460 3.565 20 10 GHCDHM CC[C@@H](Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)c1ccc(F)cc1[O-] ZINC000796919484 932109495 /nfs/dbraw/zinc/10/94/95/932109495.db2.gz NHKLAFKCJXOHJQ-MRXNPFEDSA-N -1 3 389.452 3.684 20 10 GHCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000797770042 932402189 /nfs/dbraw/zinc/40/21/89/932402189.db2.gz JLZURJSSFXOIET-CQSZACIVSA-N -1 3 380.213 3.977 20 10 GHCDHM CCOC(=O)c1cc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)[n-]n1 ZINC001116521894 933608021 /nfs/dbraw/zinc/60/80/21/933608021.db2.gz ZAZVTYAPOKUVGJ-UHFFFAOYSA-N -1 3 386.839 3.900 20 10 GHCDHM CCOC(=O)c1cc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)n[n-]1 ZINC001116521894 933608028 /nfs/dbraw/zinc/60/80/28/933608028.db2.gz ZAZVTYAPOKUVGJ-UHFFFAOYSA-N -1 3 386.839 3.900 20 10 GHCDHM C[C@H]([NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593225794 994348769 /nfs/dbraw/zinc/34/87/69/994348769.db2.gz YGQHCMWKYZFYED-AEGPPILISA-N -1 3 378.469 3.577 20 10 GHCDHM C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246751 994457667 /nfs/dbraw/zinc/45/76/67/994457667.db2.gz OKZZMFDNENJMGP-TZMCWYRMSA-N -1 3 397.393 3.611 20 10 GHCDHM CC1(C)CCc2c([nH]nc2C(=O)NCc2cc(Cl)c3cccnc3c2[O-])C1 ZINC001154508789 1032153187 /nfs/dbraw/zinc/15/31/87/1032153187.db2.gz LSJMMXZMWMCQQU-UHFFFAOYSA-N -1 3 384.867 3.762 20 10 GHCDHM COc1cc(O[C@H]2CCCN(C(C)C)C2)c2c([O-])c3c(=O)c(O)ccc-3oc2c1 ZINC001227657789 1032506780 /nfs/dbraw/zinc/50/67/80/1032506780.db2.gz MZCGVPAIXJSRBD-ZDUSSCGKSA-N -1 3 399.443 3.618 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)c1nccnc1-c1nc2ccccc2s1 ZINC001156170699 1032912268 /nfs/dbraw/zinc/91/22/68/1032912268.db2.gz SJZHRRAADYXZFZ-UHFFFAOYSA-N -1 3 380.404 3.528 20 10 GHCDHM CCn1ncc2c1CN(Cc1ccc(Cl)cc1[O-])C[C@@H]2COCC1CC1 ZINC001140462880 1021753574 /nfs/dbraw/zinc/75/35/74/1021753574.db2.gz NEZLCHNBRKFSMJ-MRXNPFEDSA-N -1 3 375.900 3.788 20 10 GHCDHM C[C@@H]1c2ncc(COc3cccnc3)n2CCN1Cc1ccc(Cl)cc1[O-] ZINC001140466005 1021759596 /nfs/dbraw/zinc/75/95/96/1021759596.db2.gz YDYFRPRDMWAHBM-CQSZACIVSA-N -1 3 384.867 3.793 20 10 GHCDHM COC[C@@H](C)N(Cc1cccc(OC)c1)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139132032 1025944566 /nfs/dbraw/zinc/94/45/66/1025944566.db2.gz SPXMSOJSHHWMAF-MRXNPFEDSA-N -1 3 397.471 3.853 20 10 GHCDHM CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(Cc1c(F)ccc(F)c1[O-])C2 ZINC001139681596 1026535761 /nfs/dbraw/zinc/53/57/61/1026535761.db2.gz UNCFYCORAGQDRT-HXUWFJFHSA-N -1 3 382.451 3.893 20 10 GHCDHM [O-]c1cccc(Br)c1CN1CCc2ncc(Br)cc2C1 ZINC001140101599 1026880915 /nfs/dbraw/zinc/88/09/15/1026880915.db2.gz YVWXCUMCIASZQK-UHFFFAOYSA-N -1 3 398.098 3.871 20 10 GHCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@]2(C1)CCCN(c1ncccn1)C2 ZINC001203575653 1027445316 /nfs/dbraw/zinc/44/53/16/1027445316.db2.gz WCWGLPUQTGRQCB-IBGZPJMESA-N -1 3 393.318 3.982 20 10 GHCDHM CS(=O)(=O)c1cccc([C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC001203664410 1027516199 /nfs/dbraw/zinc/51/61/99/1027516199.db2.gz DNBJEJSRUIADAL-HNNXBMFYSA-N -1 3 379.909 3.829 20 10 GHCDHM Cc1cc(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)n(-c2ccccc2)n1 ZINC001203664715 1027517232 /nfs/dbraw/zinc/51/72/32/1027517232.db2.gz RKFCUCKVUXMLQC-UHFFFAOYSA-N -1 3 382.895 3.862 20 10 GHCDHM CCS(=O)(=O)c1cc(Cl)cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000840841498 1027873628 /nfs/dbraw/zinc/87/36/28/1027873628.db2.gz CKJLCCGFHPQVPF-NSHDSACASA-N -1 3 398.868 3.598 20 10 GHCDHM Cc1cc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c(C)n1-c1ccccc1 ZINC001213352120 1028129191 /nfs/dbraw/zinc/12/91/91/1028129191.db2.gz WIGHOULQSQVCLV-UHFFFAOYSA-N -1 3 394.418 3.990 20 10 GHCDHM COc1ccc(N[C@@H](C)c2ccc(Cl)cc2[O-])cc1OCC(=O)NC1CC1 ZINC000841749700 1028911151 /nfs/dbraw/zinc/91/11/51/1028911151.db2.gz HJEVVDZZPDUHRV-LBPRGKRZSA-N -1 3 390.867 3.885 20 10 GHCDHM Cc1cc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC000841821148 1028967456 /nfs/dbraw/zinc/96/74/56/1028967456.db2.gz BOEZKWISLGBALM-UHFFFAOYSA-N -1 3 383.448 3.882 20 10 GHCDHM Cc1ccc(-c2noc(-c3cccc(O)c3[O-])n2)cc1I ZINC001215145887 1029059560 /nfs/dbraw/zinc/05/95/60/1029059560.db2.gz PHYFMHJEDHZYMG-UHFFFAOYSA-N -1 3 394.168 3.728 20 10 GHCDHM CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(Br)cc(F)c1[O-] ZINC001276881062 1030523757 /nfs/dbraw/zinc/52/37/57/1030523757.db2.gz GPEZZESEXATNBV-IUIKQTSFSA-N -1 3 399.304 3.658 20 10 GHCDHM CCOC(=O)c1nnc(Cl)cc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001157723937 1033740288 /nfs/dbraw/zinc/74/02/88/1033740288.db2.gz FVIQATXUMBOJLL-UHFFFAOYSA-N -1 3 393.230 3.826 20 10 GHCDHM CN(C)C(=O)c1cnc(NCc2cc(Cl)c3cccnc3c2[O-])c(Cl)c1 ZINC001157727821 1033742530 /nfs/dbraw/zinc/74/25/30/1033742530.db2.gz PJKZBOKXMCDIIS-UHFFFAOYSA-N -1 3 391.258 3.956 20 10 GHCDHM CCOC(=O)c1csc(CC2CCN(Cc3cc(F)c(F)cc3[O-])CC2)n1 ZINC001207341422 1034288876 /nfs/dbraw/zinc/28/88/76/1034288876.db2.gz OEPSSKFWCBQCEE-UHFFFAOYSA-N -1 3 396.459 3.758 20 10 GHCDHM C[C@H](NCc1cc(Cl)cc(F)c1[O-])C(=O)Nc1cccc(N2CCCC2)c1 ZINC001207373006 1034314900 /nfs/dbraw/zinc/31/49/00/1034314900.db2.gz WTQOUGJZDWJKNY-ZDUSSCGKSA-N -1 3 391.874 3.902 20 10 GHCDHM O=C([O-])c1ccc(O)c(CN2CCC(C(=O)c3cnc4ccccc4c3)CC2)c1 ZINC001231568533 1034716461 /nfs/dbraw/zinc/71/64/61/1034716461.db2.gz MORKKGCIZWCRLY-UHFFFAOYSA-N -1 3 390.439 3.734 20 10 GHCDHM CCOC(=O)[C@@H](Cc1ccccc1)N(C)Cc1ccc(Br)cc1[O-] ZINC001462135638 1070023457 /nfs/dbraw/zinc/02/34/57/1070023457.db2.gz FFDWCLCIGCQSKT-QGZVFWFLSA-N -1 3 392.293 3.761 20 10 GHCDHM COc1cc([O-])c(CN2CCN(C(=O)OC(C)(C)C)CC23CC3)cc1Cl ZINC001232267026 1037988593 /nfs/dbraw/zinc/98/85/93/1037988593.db2.gz VGILACNOIFEWDZ-UHFFFAOYSA-N -1 3 382.888 3.640 20 10 GHCDHM COc1cc([O-])c(CN2CCN(C[C@H](OC)c3ccccc3)CC2)cc1Cl ZINC001232267742 1037989543 /nfs/dbraw/zinc/98/95/43/1037989543.db2.gz GHFLZEDEQPKJNQ-NRFANRHFSA-N -1 3 390.911 3.560 20 10 GHCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001233333103 1039130289 /nfs/dbraw/zinc/13/02/89/1039130289.db2.gz JVKXGWVPKOLTJL-GHTZIAJQSA-N -1 3 390.430 3.516 20 10 GHCDHM CCOC[C@@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])Cc2cn(CC)nc21 ZINC001233416933 1039275608 /nfs/dbraw/zinc/27/56/08/1039275608.db2.gz BZLGDLISSOTJOP-HNNXBMFYSA-N -1 3 383.414 3.763 20 10 GHCDHM COc1ccccc1CN1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233418016 1039276742 /nfs/dbraw/zinc/27/67/42/1039276742.db2.gz PXOTUBYIGBTJGM-UHFFFAOYSA-N -1 3 380.410 3.737 20 10 GHCDHM [O-]c1cc(C(F)(F)F)ccc1CN1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 ZINC001233452598 1039338133 /nfs/dbraw/zinc/33/81/33/1039338133.db2.gz DAXXXHOZOBJCOA-YTQUADARSA-N -1 3 394.393 3.617 20 10 GHCDHM COC[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2[O-])Cc2nn(CC3CC3)cc21 ZINC001233452951 1039338208 /nfs/dbraw/zinc/33/82/08/1039338208.db2.gz PHYZZNORJLEVBG-HNNXBMFYSA-N -1 3 395.425 3.763 20 10 GHCDHM CCOC[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2[O-])Cc2nn(CC)cc21 ZINC001233453205 1039339863 /nfs/dbraw/zinc/33/98/63/1039339863.db2.gz YVONPGHNYKFWNO-AWEZNQCLSA-N -1 3 383.414 3.763 20 10 GHCDHM [O-]c1cc(C(F)(F)F)ccc1CN1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001233453361 1039340181 /nfs/dbraw/zinc/34/01/81/1039340181.db2.gz DXXXDCVJRAMINL-HNNXBMFYSA-N -1 3 395.425 3.666 20 10 GHCDHM O=C(NCc1ccc(Br)c(F)c1F)NCc1c([O-])cccc1F ZINC001234063489 1039797087 /nfs/dbraw/zinc/79/70/87/1039797087.db2.gz BRWXAYAYRLWSSD-UHFFFAOYSA-N -1 3 389.171 3.571 20 10 GHCDHM O=C(NCc1cc(F)c(Br)cc1F)NCc1c([O-])cccc1F ZINC001253883239 1039878390 /nfs/dbraw/zinc/87/83/90/1039878390.db2.gz PJQKOQMMWDDXBE-UHFFFAOYSA-N -1 3 389.171 3.571 20 10 GHCDHM CN(CCN(C)C(=O)OC(C)(C)C)Cc1cc(F)cc(Br)c1[O-] ZINC001235298392 1040770624 /nfs/dbraw/zinc/77/06/24/1040770624.db2.gz RZLUNGKVDLXTPX-UHFFFAOYSA-N -1 3 391.281 3.593 20 10 GHCDHM O=S(=O)(NCc1cc(Cl)c2cccnc2c1[O-])c1ccccc1Cl ZINC001256346537 1041707702 /nfs/dbraw/zinc/70/77/02/1041707702.db2.gz DCVYECDPQYRTFS-UHFFFAOYSA-N -1 3 383.256 3.726 20 10 GHCDHM O=C1C[C@]2(CN1CC(F)F)CCCCN2Cc1c([O-])ccc(Cl)c1Cl ZINC001277994487 1041809157 /nfs/dbraw/zinc/80/91/57/1041809157.db2.gz BQRCBNCFEDCXQJ-KRWDZBQOSA-N -1 3 393.261 3.921 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC(NC(=O)CC(C)C)CC2)c1 ZINC001236665391 1041813703 /nfs/dbraw/zinc/81/37/03/1041813703.db2.gz JLWCVQNQGQSEIF-UHFFFAOYSA-N -1 3 383.330 3.590 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCC(Oc3cc(C)ncn3)CC2)c1 ZINC001236668494 1041814405 /nfs/dbraw/zinc/81/44/05/1041814405.db2.gz BNRVAZXPCDEKKT-UHFFFAOYSA-N -1 3 392.297 3.605 20 10 GHCDHM COc1ccc(N2CCN(Cc3cc(C)cc(Br)c3[O-])CC2)cc1 ZINC001236672202 1041819652 /nfs/dbraw/zinc/81/96/52/1041819652.db2.gz DAISYSOBASKJOZ-UHFFFAOYSA-N -1 3 391.309 3.794 20 10 GHCDHM COc1cc([O-])c(CN2CC3CC2(CNC(=O)OC(C)(C)C)C3)c(Cl)c1 ZINC001236798409 1041901413 /nfs/dbraw/zinc/90/14/13/1041901413.db2.gz ODKXIXHOIYVQII-UHFFFAOYSA-N -1 3 382.888 3.543 20 10 GHCDHM COc1cc([O-])c(CN2CCN(C)C[C@@H]2c2ccccc2)c(Br)c1 ZINC001237058841 1042014656 /nfs/dbraw/zinc/01/46/56/1042014656.db2.gz BXOSAVUDSJEHIY-GOSISDBHSA-N -1 3 391.309 3.652 20 10 GHCDHM O=S(=O)([N-]c1cnc2c(c1)CNCC2)c1ccc(/N=N/c2ccccc2)cc1 ZINC001237474686 1042224892 /nfs/dbraw/zinc/22/48/92/1042224892.db2.gz DWKDPFGZRZGMBB-WCWDXBQESA-N -1 3 393.472 3.944 20 10 GHCDHM Cc1nc(CN2CCC3(CN(Cc4cc(Cl)cc(F)c4[O-])C3)C2)cs1 ZINC001237621000 1042287957 /nfs/dbraw/zinc/28/79/57/1042287957.db2.gz ZYZVZFZFUBPHGR-UHFFFAOYSA-N -1 3 381.904 3.658 20 10 GHCDHM CCOCc1ncn2c1CN(Cc1cc(Br)c(C)cc1[O-])CCC2 ZINC001237683583 1042324009 /nfs/dbraw/zinc/32/40/09/1042324009.db2.gz NSRIDCKTLTVXNC-UHFFFAOYSA-N -1 3 394.313 3.602 20 10 GHCDHM [NH3+]C1(c2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3[O-])cc2)CCC1 ZINC001237699106 1042330922 /nfs/dbraw/zinc/33/09/22/1042330922.db2.gz JPSQARPIRFDKNO-UHFFFAOYSA-N -1 3 387.288 3.838 20 10 GHCDHM [O-]c1c(I)cccc1CN1CCC[C@H](C(F)(F)F)C1 ZINC001237780692 1042365833 /nfs/dbraw/zinc/36/58/33/1042365833.db2.gz VRNIYAUAAASGQQ-JTQLQIEISA-N -1 3 385.167 3.771 20 10 GHCDHM [O-]c1c(CN2CCC3(CCO3)CC2)cc(Br)cc1C(F)(F)F ZINC001237793251 1042373645 /nfs/dbraw/zinc/37/36/45/1042373645.db2.gz WWBXLTILFANOBQ-UHFFFAOYSA-N -1 3 380.204 3.928 20 10 GHCDHM O=C1NC2(C[C@@H]1c1ccccc1)CCN(Cc1cc(F)c(Cl)cc1[O-])CC2 ZINC001237938164 1042428652 /nfs/dbraw/zinc/42/86/52/1042428652.db2.gz VBZYPZLZPXIWBD-MRXNPFEDSA-N -1 3 388.870 3.823 20 10 GHCDHM COc1ccc(Cc2nc3cc(NC(=O)c4cccc(O)c4[O-])ccc3[nH]2)cc1 ZINC001303059684 1047266433 /nfs/dbraw/zinc/26/64/33/1047266433.db2.gz APUPETLWAFGLPA-UHFFFAOYSA-N -1 3 389.411 3.826 20 10 GHCDHM O=C1[C@@H](NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1c1cccc(Cl)c1 ZINC000749922850 1047890158 /nfs/dbraw/zinc/89/01/58/1047890158.db2.gz DUJRZNKBYBBORP-AWEZNQCLSA-N -1 3 396.230 3.502 20 10 GHCDHM Cc1cc(Br)c([O-])c(CN2CCN3CCOc4cccc2c43)c1 ZINC001308678979 1050056696 /nfs/dbraw/zinc/05/66/96/1050056696.db2.gz OWQVDCCFZAKRAY-UHFFFAOYSA-N -1 3 375.266 3.682 20 10 GHCDHM COC(=O)CN(Cc1cccc(Br)c1)Cc1ccc(Cl)cc1[O-] ZINC001308735504 1050075690 /nfs/dbraw/zinc/07/56/90/1050075690.db2.gz PXUPLFHTEHNDHR-UHFFFAOYSA-N -1 3 398.684 3.983 20 10 GHCDHM Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NCc1cc(F)c(F)cc1[O-] ZINC001308754191 1050083023 /nfs/dbraw/zinc/08/30/23/1050083023.db2.gz HDXYGPHDYGVIEG-UHFFFAOYSA-N -1 3 384.448 3.620 20 10 GHCDHM CC(C)(C)OC(=O)Nc1cccc(CNC(=O)NCc2c([O-])cccc2F)c1 ZINC001313006356 1052932287 /nfs/dbraw/zinc/93/22/87/1052932287.db2.gz INRPTRWJOIVZDM-UHFFFAOYSA-N -1 3 389.427 3.878 20 10 GHCDHM CCOc1nc(C(F)(F)F)ccc1C(=O)[N-]c1c2nonc2ccc1Cl ZINC001342951905 1053455416 /nfs/dbraw/zinc/45/54/16/1053455416.db2.gz OKDOEOAVDKUUBJ-UHFFFAOYSA-N -1 3 386.717 3.941 20 10 GHCDHM C[C@H]1CCCN(c2ccc(CNC(=O)c3cccc4n[n-]nc43)cc2Cl)C1 ZINC001448448451 1060187368 /nfs/dbraw/zinc/18/73/68/1060187368.db2.gz IFRGAKUDRGHHPR-ZDUSSCGKSA-N -1 3 383.883 3.778 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC(OC2CCC2)CC1 ZINC001340986550 1060312130 /nfs/dbraw/zinc/31/21/30/1060312130.db2.gz NGHYNYAXGRJRGR-UHFFFAOYSA-N -1 3 399.520 3.818 20 10 GHCDHM CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)NCc1c([O-])cccc1F ZINC001456029957 1062419280 /nfs/dbraw/zinc/41/92/80/1062419280.db2.gz PDFOMIFSGVERQK-OAHLLOKOSA-N -1 3 382.476 3.819 20 10 GHCDHM O=C(NCc1c([O-])cccc1F)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC001456082518 1062470924 /nfs/dbraw/zinc/47/09/24/1062470924.db2.gz AUXYYMJRQGPKAV-UHFFFAOYSA-N -1 3 394.431 3.771 20 10 GHCDHM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1ccccc1O ZINC001464271915 1064935391 /nfs/dbraw/zinc/93/53/91/1064935391.db2.gz JNUHLZUNRODAMG-MRVPVSSYSA-N -1 3 391.232 3.647 20 10 GHCDHM O=S(=O)(NCc1c([O-])cccc1F)c1ccc(Cl)cc1C(F)(F)F ZINC001464602091 1065105265 /nfs/dbraw/zinc/10/52/65/1065105265.db2.gz YKPUVJOTSLFQOL-UHFFFAOYSA-N -1 3 383.750 3.682 20 10 GHCDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@](C)(OC)CC1 ZINC001357517693 1067142434 /nfs/dbraw/zinc/14/24/34/1067142434.db2.gz QBZIBFONGOVKFM-IBGZPJMESA-N -1 3 387.509 3.676 20 10 GHCDHM O=C(NCc1ccc(Oc2cccnc2)c(F)c1)NCc1c([O-])cccc1F ZINC001468201110 1067629938 /nfs/dbraw/zinc/62/99/38/1067629938.db2.gz CFOZPTGQXMZUQE-UHFFFAOYSA-N -1 3 385.370 3.857 20 10 GHCDHM COc1ccc(-c2nc(C)sc2CC(=O)NCc2c([O-])cccc2F)cc1 ZINC001471976300 1073288965 /nfs/dbraw/zinc/28/89/65/1073288965.db2.gz VOSZYDFCSVQZAI-UHFFFAOYSA-N -1 3 386.448 3.831 20 10 GHCDHM Cc1cc(C(=O)Nc2cc(Cl)ccn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236496 598909146 /nfs/dbraw/zinc/90/91/46/598909146.db2.gz MKGLDIYYSUXIPV-UHFFFAOYSA-N -1 3 393.838 3.575 20 10 GHCDHM Cc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233022 599102850 /nfs/dbraw/zinc/10/28/50/599102850.db2.gz CQYBWKIERVWDKW-HIFRSBDPSA-N -1 3 378.480 3.535 20 10 GHCDHM Cc1cc(C(=O)N2C[C@@H](C)CC[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822169013 599548572 /nfs/dbraw/zinc/54/85/72/599548572.db2.gz WKOZYRSVOKCMBG-KBPBESRZSA-N -1 3 378.480 3.535 20 10 GHCDHM Cc1[nH]c2ccccc2c1C1=CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000826233530 607727040 /nfs/dbraw/zinc/72/70/40/607727040.db2.gz LFDCMOJIKWNCPR-UHFFFAOYSA-N -1 3 391.866 3.999 20 10 GHCDHM Cc1[nH]c2ccccc2c1C1=CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000826233530 607727041 /nfs/dbraw/zinc/72/70/41/607727041.db2.gz LFDCMOJIKWNCPR-UHFFFAOYSA-N -1 3 391.866 3.999 20 10 GHCDHM