smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N(C)CC[N@@H+](C)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000844839619 955682275 /nfs/dbraw/zinc/68/22/75/955682275.db2.gz OYOBOQGIWQLUTD-UHFFFAOYSA-N 0 1 328.412 2.962 20 10 EFCDMN Cc1cc(Br)cc(C[N@H+](CC(=O)[O-])CC2CC2)c1O ZINC000844937649 955684999 /nfs/dbraw/zinc/68/49/99/955684999.db2.gz XETUPFSZZFCVHO-UHFFFAOYSA-N 0 1 328.206 2.760 20 10 EFCDMN Cn1nc(C(=O)[O-])cc1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000874039539 956098132 /nfs/dbraw/zinc/09/81/32/956098132.db2.gz NOIFPQGCYXYVBD-UHFFFAOYSA-N 0 1 329.400 2.769 20 10 EFCDMN COc1c(O)c(C[N@@H+]2CCCC[C@H]2CCC(=O)[O-])ccc1[N+](=O)[O-] ZINC001594048936 957959603 /nfs/dbraw/zinc/95/96/03/957959603.db2.gz YSKRRPLGVKCHJD-LBPRGKRZSA-N 0 1 338.360 2.528 20 10 EFCDMN COc1c(O)c(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])ccc1[N+](=O)[O-] ZINC001594048936 957959616 /nfs/dbraw/zinc/95/96/16/957959616.db2.gz YSKRRPLGVKCHJD-LBPRGKRZSA-N 0 1 338.360 2.528 20 10 EFCDMN COc1cc(C)c(C[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)c(O)c1 ZINC001594054310 958014762 /nfs/dbraw/zinc/01/47/62/958014762.db2.gz WHXJUKKVONLPAO-KRWDZBQOSA-N 0 1 327.380 2.893 20 10 EFCDMN COC1CCN(c2ccc(C[N@H+]3CC[C@H](C)[C@@H](C(=O)[O-])C3)cc2)CC1 ZINC001574120622 962497727 /nfs/dbraw/zinc/49/77/27/962497727.db2.gz XJBLEHZVRQBZRR-KXBFYZLASA-N 0 1 346.471 2.844 20 10 EFCDMN CCCN(CCC)c1ccc(CNC2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC000874048256 969366456 /nfs/dbraw/zinc/36/64/56/969366456.db2.gz OCWOZRJYFNYCHE-UHFFFAOYSA-N 0 1 347.503 2.952 20 10 EFCDMN CCCN(CCC)c1ccc(C[NH2+]C2CCN(CC(=O)[O-])CC2)cc1 ZINC000874048256 969366459 /nfs/dbraw/zinc/36/64/59/969366459.db2.gz OCWOZRJYFNYCHE-UHFFFAOYSA-N 0 1 347.503 2.952 20 10 EFCDMN O=C([O-])[C@H]1CCCCC[N@@H+]1Cc1c(O)cccc1Br ZINC000706636754 977357167 /nfs/dbraw/zinc/35/71/67/977357167.db2.gz BMXRBWUSGGVBNA-GFCCVEGCSA-N 0 1 328.206 2.984 20 10 EFCDMN C[C@H]1[C@@H](C(=O)[O-])CC[N@@H+]1Cc1cc(Br)cc(F)c1O ZINC000715758610 977781163 /nfs/dbraw/zinc/78/11/63/977781163.db2.gz DDQLUTVQWJVSSP-XVKPBYJWSA-N 0 1 332.169 2.589 20 10 EFCDMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cc(Br)cc(F)c1O ZINC000715758610 977781168 /nfs/dbraw/zinc/78/11/68/977781168.db2.gz DDQLUTVQWJVSSP-XVKPBYJWSA-N 0 1 332.169 2.589 20 10 EFCDMN C[C@@H]1[C@H](C(=O)[O-])CC[N@@H+]1Cc1cc(Br)cc(F)c1O ZINC000715758592 977781596 /nfs/dbraw/zinc/78/15/96/977781596.db2.gz DDQLUTVQWJVSSP-GMSGAONNSA-N 0 1 332.169 2.589 20 10 EFCDMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1cc(Br)cc(F)c1O ZINC000715758592 977781602 /nfs/dbraw/zinc/78/16/02/977781602.db2.gz DDQLUTVQWJVSSP-GMSGAONNSA-N 0 1 332.169 2.589 20 10 EFCDMN C[N@@H+](CC(=O)[O-])Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000840994910 979293564 /nfs/dbraw/zinc/29/35/64/979293564.db2.gz AASKDCFKZUPOHM-UHFFFAOYSA-N 0 1 341.249 2.956 20 10 EFCDMN O=C([O-])c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000900069874 980240460 /nfs/dbraw/zinc/24/04/60/980240460.db2.gz BNJHJXIISVKXTJ-JTQLQIEISA-N 0 1 339.754 2.704 20 10 EFCDMN CCCCC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(=O)[O-] ZINC000901727601 980468346 /nfs/dbraw/zinc/46/83/46/980468346.db2.gz UBPMDXXOZNWZKF-GOSISDBHSA-N 0 1 333.476 2.562 20 10 EFCDMN O=C([O-])[C@]12C[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]1CCCC2 ZINC000901915157 980626214 /nfs/dbraw/zinc/62/62/14/980626214.db2.gz YYVKNMLIQGIUKA-YLJYHZDGSA-N 0 1 344.455 2.600 20 10 EFCDMN CO[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@H](C(=O)[O-])C1 ZINC000902031223 980702166 /nfs/dbraw/zinc/70/21/66/980702166.db2.gz CWIWRUPHRJIPTB-ROUUACIJSA-N 0 1 332.444 2.741 20 10 EFCDMN CN(C)c1ccc(C[N@H+]2CC[C@H](C(=O)[O-])C[C@H]2[C@H]2CCCO2)cc1 ZINC000903940453 981060610 /nfs/dbraw/zinc/06/06/10/981060610.db2.gz FMOHBOVXXDEDJF-RYQLBKOJSA-N 0 1 332.444 2.597 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@](C)(C(=O)[O-])C2)c1O ZINC001589268259 985953519 /nfs/dbraw/zinc/95/35/19/985953519.db2.gz PXUITMRXFKBDCD-INIZCTEOSA-N 0 1 325.792 2.935 20 10 EFCDMN CCOc1cccc(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c1O ZINC001597154908 986944481 /nfs/dbraw/zinc/94/44/81/986944481.db2.gz FYLUUTKEEMAHCB-NEPJUHHUSA-N 0 1 347.333 2.876 20 10 EFCDMN CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1 ZINC001590461797 990031787 /nfs/dbraw/zinc/03/17/87/990031787.db2.gz KICZQWKTSHBMTK-LSDHHAIUSA-N 0 1 333.428 2.938 20 10 EFCDMN CN(C)c1ccc(/C=C\C[NH2+]C(C)(C)c2cc(C(=O)[O-])on2)cc1 ZINC001598314427 991297934 /nfs/dbraw/zinc/29/79/34/991297934.db2.gz RZQBCFQZDKTJGH-WAYWQWQTSA-N 0 1 329.400 2.977 20 10 EFCDMN C[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cc(C(=O)[O-])ccc1O ZINC001593354034 994986745 /nfs/dbraw/zinc/98/67/45/994986745.db2.gz IQRZFVZNXLVQJV-MZMPZRCHSA-N 0 1 340.423 2.887 20 10 EFCDMN C[C@@]1(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)CCCCO1 ZINC001594010066 997441863 /nfs/dbraw/zinc/44/18/63/997441863.db2.gz IURQOFFJPYOCQB-INIZCTEOSA-N 0 1 327.808 2.891 20 10 EFCDMN COc1ccc(C[N@H+]2CCc3cccc(C(=O)[O-])c3C2)c(O)c1OC ZINC001599560788 998189878 /nfs/dbraw/zinc/18/98/78/998189878.db2.gz SHTZYJUOYQJTHU-UHFFFAOYSA-N 0 1 343.379 2.666 20 10 EFCDMN COc1ccc(C[N@@H+]2Cc3ccc(C(=O)[O-])cc3C2)c(O)c1OC ZINC001599562961 998233828 /nfs/dbraw/zinc/23/38/28/998233828.db2.gz CAMVHHJGXGWTSJ-UHFFFAOYSA-N 0 1 329.352 2.623 20 10 EFCDMN COc1ccc(C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)c(O)c1OC ZINC001599562961 998233835 /nfs/dbraw/zinc/23/38/35/998233835.db2.gz CAMVHHJGXGWTSJ-UHFFFAOYSA-N 0 1 329.352 2.623 20 10 EFCDMN Cc1cc(CC(=O)[N-]OC[C@@H](C)[NH3+])c(C)n1-c1ccc(Cl)cc1 ZINC001579589575 1090637841 /nfs/dbraw/zinc/63/78/41/1090637841.db2.gz KEKNWEOPVKXOJP-LLVKDONJSA-N 0 1 335.835 2.685 20 10 EFCDMN N[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1cccc(Br)c1 ZINC001580110562 1090773381 /nfs/dbraw/zinc/77/33/81/1090773381.db2.gz VMJFYXWRBQWDHX-OAHLLOKOSA-N 0 1 347.212 2.697 20 10 EFCDMN [NH3+][C@H](CCNC(=O)NCc1cccc(Cl)c1[O-])Cc1ccccc1 ZINC001580126505 1090782263 /nfs/dbraw/zinc/78/22/63/1090782263.db2.gz CXDPUGOYHWJFEC-OAHLLOKOSA-N 0 1 347.846 2.805 20 10 EFCDMN N[C@H](Cc1cc2ccccc2o1)C(=O)NCc1cc(Cl)ccc1O ZINC001580134096 1090785347 /nfs/dbraw/zinc/78/53/47/1090785347.db2.gz HWQPEYKQUAVDDT-OAHLLOKOSA-N 0 1 344.798 2.978 20 10 EFCDMN C[N@@H+](Cc1cc(-c2nn[nH]n2)cs1)Cc1ccc(F)c(F)c1[O-] ZINC001591130399 1093665960 /nfs/dbraw/zinc/66/59/60/1093665960.db2.gz HWQMXATXIQDPTR-UHFFFAOYSA-N 0 1 337.355 2.544 20 10 EFCDMN Cc1c(F)nccc1C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001600010437 1094718190 /nfs/dbraw/zinc/71/81/90/1094718190.db2.gz JDUFIRWJRNXBTM-UHFFFAOYSA-N 0 1 338.766 2.975 20 10 EFCDMN Cc1cc(O)c(C[N@@H+](CCC(=O)[O-])C[C@@H]2CCCO2)c(Cl)c1 ZINC001600286796 1094945418 /nfs/dbraw/zinc/94/54/18/1094945418.db2.gz WBCVGEDLCQWOTJ-LBPRGKRZSA-N 0 1 327.808 2.810 20 10 EFCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CC[C@@H](n3cccn3)C2)c1O ZINC001602304212 1096167841 /nfs/dbraw/zinc/16/78/41/1096167841.db2.gz PVYDOHNEPASELD-CQSZACIVSA-N 0 1 337.379 2.887 20 10 EFCDMN O=C([O-])c1cccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC001602436700 1096244659 /nfs/dbraw/zinc/24/46/59/1096244659.db2.gz IQJGCKZALRQCSX-MRXNPFEDSA-N 0 1 342.395 2.667 20 10 EFCDMN O=C([O-])c1cnc(C[N@H+](Cc2ccccc2O)C2CCCC2)cn1 ZINC001602518925 1096278856 /nfs/dbraw/zinc/27/88/56/1096278856.db2.gz LNIBEAAEVIVRFN-UHFFFAOYSA-N 0 1 327.384 2.825 20 10 EFCDMN C[C@]1(C(=O)[O-])CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC001604496278 1096880774 /nfs/dbraw/zinc/88/07/74/1096880774.db2.gz IVNSBMDELOBNNZ-AWEZNQCLSA-N 0 1 328.206 2.841 20 10 EFCDMN C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC001604496278 1096880779 /nfs/dbraw/zinc/88/07/79/1096880779.db2.gz IVNSBMDELOBNNZ-AWEZNQCLSA-N 0 1 328.206 2.841 20 10 EFCDMN CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC001604700236 1096934714 /nfs/dbraw/zinc/93/47/14/1096934714.db2.gz FEVIDSARSKQQPE-ARJAWSKDSA-N 0 1 340.456 2.797 20 10 EFCDMN CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC001604700236 1096934717 /nfs/dbraw/zinc/93/47/17/1096934717.db2.gz FEVIDSARSKQQPE-ARJAWSKDSA-N 0 1 340.456 2.797 20 10 EFCDMN Cc1cc(CN2Cc3cccc(-c4nn[nH]n4)c3C2)ccc1N(C)C ZINC001605656771 1097182422 /nfs/dbraw/zinc/18/24/22/1097182422.db2.gz POSSZDPSAOWNRG-UHFFFAOYSA-N 0 1 334.427 2.757 20 10 EFCDMN CCc1cccc(C[N@H+](CCC(=O)[O-])CC(=O)OC(C)(C)C)c1O ZINC001605830948 1097241847 /nfs/dbraw/zinc/24/18/47/1097241847.db2.gz ZGJXROGCQJIVHL-UHFFFAOYSA-N 0 1 337.416 2.573 20 10 EFCDMN CCc1cccc(C[N@@H+](CCC(=O)[O-])CC(=O)OC(C)(C)C)c1O ZINC001605830948 1097241850 /nfs/dbraw/zinc/24/18/50/1097241850.db2.gz ZGJXROGCQJIVHL-UHFFFAOYSA-N 0 1 337.416 2.573 20 10 EFCDMN COc1cc(C)cc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)[O-])c1O ZINC001607149205 1097544640 /nfs/dbraw/zinc/54/46/40/1097544640.db2.gz ASJFZZNMMDEIDS-MRXNPFEDSA-N 0 1 327.380 2.721 20 10 EFCDMN COc1cc(C[N@H+]2CCc3c(cccc3C(=O)[O-])C2)c(O)cc1C ZINC001607157587 1097546353 /nfs/dbraw/zinc/54/63/53/1097546353.db2.gz KDPNEXOUJPKIAK-UHFFFAOYSA-N 0 1 327.380 2.966 20 10 EFCDMN COc1ccc(C(=O)[O-])c2c1C[N@@H+](Cc1ccc(C)cc1O)CC2 ZINC001607215200 1097563495 /nfs/dbraw/zinc/56/34/95/1097563495.db2.gz JBBMCUBBNPXTHW-UHFFFAOYSA-N 0 1 327.380 2.966 20 10 EFCDMN COc1ccc(N(C)CC[N@@H+](C)Cc2ccccc2CC(=O)[O-])cc1 ZINC001607267934 1097580160 /nfs/dbraw/zinc/58/01/60/1097580160.db2.gz NJJOGTMZYHRYSS-UHFFFAOYSA-N 0 1 342.439 2.891 20 10 EFCDMN Cc1csc(C(=O)[O-])c1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC001607924767 1097779186 /nfs/dbraw/zinc/77/91/86/1097779186.db2.gz FDYWQKLZVPMZQA-LLVKDONJSA-N 0 1 348.424 2.919 20 10 EFCDMN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001608746804 1098008534 /nfs/dbraw/zinc/00/85/34/1098008534.db2.gz MVWNGUMGPIFQJB-PJODQICGSA-N 0 1 339.819 2.890 20 10 EFCDMN CCCC[C@@H](CC)C[N@H+]1CCC12CN(C(=O)c1cc([O-])[nH]c(=O)c1)C2 ZINC001269919457 1098522502 /nfs/dbraw/zinc/52/25/02/1098522502.db2.gz RCDHMDGBULTDBS-CQSZACIVSA-N 0 1 347.459 2.610 20 10 EFCDMN CCOc1cccc(C[N@@H+](CCc2ccccc2)CC(=O)[O-])c1O ZINC001610045216 1098529283 /nfs/dbraw/zinc/52/92/83/1098529283.db2.gz ODZGTZRNXQEKQU-UHFFFAOYSA-N 0 1 329.396 2.920 20 10 EFCDMN COc1cc(Br)cc(C[N@H+](CC(=O)[O-])CC(C)C)c1O ZINC001610280108 1098599777 /nfs/dbraw/zinc/59/97/77/1098599777.db2.gz WPQRFQRORJWUEB-UHFFFAOYSA-N 0 1 346.221 2.706 20 10 EFCDMN CC(C)c1cnc(NCc2ccc(N3CCN(C)CC3)cc2)nc1 ZINC001167422912 1101574842 /nfs/dbraw/zinc/57/48/42/1101574842.db2.gz GULLCFFHZVIUBC-UHFFFAOYSA-N 0 1 325.460 2.964 20 10 EFCDMN Cc1cnc2ncc(NCc3ccc(N4CCN(C)CC4)cc3)cc2n1 ZINC001167431014 1101611608 /nfs/dbraw/zinc/61/16/08/1101611608.db2.gz BIMMSPFCGCFJCW-UHFFFAOYSA-N 0 1 348.454 2.697 20 10 EFCDMN CC(C)n1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1=O ZINC001167434080 1101659597 /nfs/dbraw/zinc/65/95/97/1101659597.db2.gz ANTJAAGJNBPVKR-UHFFFAOYSA-N 0 1 340.471 2.793 20 10 EFCDMN Cc1nc2cncc(NCc3ccc(N4CCN(C)CC4)cc3)c2o1 ZINC001167436941 1101712900 /nfs/dbraw/zinc/71/29/00/1101712900.db2.gz ICWSKSLUTVTMBB-UHFFFAOYSA-N 0 1 337.427 2.895 20 10 EFCDMN CN1CCN(c2ccc(CNc3cccc4cnncc43)cc2)CC1 ZINC001167437633 1101724276 /nfs/dbraw/zinc/72/42/76/1101724276.db2.gz WMRCUBVKOURRDT-UHFFFAOYSA-N 0 1 333.439 2.994 20 10 EFCDMN CC[C@H]([NH2+][C@@H]1COC[C@@H]1OC)c1cc(Br)ccc1[O-] ZINC000840826274 1101754926 /nfs/dbraw/zinc/75/49/26/1101754926.db2.gz JJOKFVUEQQMUDZ-SCRDCRAPSA-N 0 1 330.222 2.609 20 10 EFCDMN [O-]c1cccc(Br)c1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000707166046 1102232484 /nfs/dbraw/zinc/23/24/84/1102232484.db2.gz NLHKRSDWARTBIV-LBPRGKRZSA-N 0 1 325.250 2.825 20 10 EFCDMN [O-]c1cccc(Br)c1CN1CCC[N@H+]2CCC[C@H]2C1 ZINC000707166046 1102232493 /nfs/dbraw/zinc/23/24/93/1102232493.db2.gz NLHKRSDWARTBIV-LBPRGKRZSA-N 0 1 325.250 2.825 20 10 EFCDMN CCc1ncc(CNCc2ccc(N3CCC(CO)CC3)cc2)cn1 ZINC000840884128 1102309448 /nfs/dbraw/zinc/30/94/48/1102309448.db2.gz JHAWKSJUCXGRSW-UHFFFAOYSA-N 0 1 340.471 2.538 20 10 EFCDMN Cc1cc(N(C)C)ccc1CN(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000840915947 1102453984 /nfs/dbraw/zinc/45/39/84/1102453984.db2.gz UIFACSQPQVDJQA-HNNXBMFYSA-N 0 1 343.393 2.656 20 10 EFCDMN C[C@H](C[N@@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000840999191 1102723282 /nfs/dbraw/zinc/72/32/82/1102723282.db2.gz PGDWGZILAKLFQU-CYBMUJFWSA-N 0 1 335.404 2.738 20 10 EFCDMN CC(C)C[N@@H+](Cc1ccccn1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000905744440 1103580786 /nfs/dbraw/zinc/58/07/86/1103580786.db2.gz DZCUQTHLMCKPGY-SFHVURJKSA-N 0 1 328.412 2.871 20 10 EFCDMN Cc1cc(NS(=O)(=O)c2cncc(Br)c2)ccc1O ZINC000148632121 1105768976 /nfs/dbraw/zinc/76/89/76/1105768976.db2.gz NSPIKOXWKCBOFZ-UHFFFAOYSA-N 0 1 343.202 2.659 20 10 EFCDMN C[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2[O-])CC[C@]1(O)C(F)(F)F ZINC001142508975 1106037809 /nfs/dbraw/zinc/03/78/09/1106037809.db2.gz RKORSPDHWYYOPJ-ISVAXAHUSA-N 0 1 325.277 2.806 20 10 EFCDMN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CCN3C(C)(C)C)C2)cc1 ZINC000898007870 1106178877 /nfs/dbraw/zinc/17/88/77/1106178877.db2.gz UMMMOLIUJMWZGG-YJBOKZPZSA-N 0 1 345.487 2.511 20 10 EFCDMN O=C1c2ccccc2CN1[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142530431 1106225808 /nfs/dbraw/zinc/22/58/08/1106225808.db2.gz HGUPWDRVOJZUOP-AWEZNQCLSA-N 0 1 344.361 2.901 20 10 EFCDMN C[C@H]1CC[N@@H+](Cc2c([O-])cc(Br)cc2F)CC[C@@H]1O ZINC001233027406 1107545439 /nfs/dbraw/zinc/54/54/39/1107545439.db2.gz RELWULNISQTHFQ-ZANVPECISA-N 0 1 332.213 2.887 20 10 EFCDMN O=C1N(CC2CCCC2)CC[C@]12CCCN2Cc1cc(O)ccc1O ZINC001272386202 1108148845 /nfs/dbraw/zinc/14/88/45/1108148845.db2.gz BXZZOLBJPBOAAZ-HXUWFJFHSA-N 0 1 344.455 2.855 20 10 EFCDMN CC(C)N(C)CC(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001142582792 1109021938 /nfs/dbraw/zinc/02/19/38/1109021938.db2.gz GJMGNSDQLPCOHK-OYVOPSJISA-N 0 1 326.404 2.946 20 10 EFCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000179371511 1109067154 /nfs/dbraw/zinc/06/71/54/1109067154.db2.gz ZHHSXWQQNXYTSD-LBPRGKRZSA-N 0 1 342.233 2.740 20 10 EFCDMN C[S@](=O)C1(C[NH2+]Cc2ccc(Br)cc2[O-])CCC1 ZINC000691396123 1111884593 /nfs/dbraw/zinc/88/45/93/1111884593.db2.gz QYAAUULSCJXHJC-SFHVURJKSA-N 0 1 332.263 2.546 20 10 EFCDMN CCCCCC(=O)NCCC1=CCN(c2ncnc3[nH]cnc32)CC1 ZINC001089803204 1113040675 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COC[C@@H]1CN(Cc2ccc(N3CCC(OC)CC3)cc2)C[C@H](C)O1 ZINC000296035633 241071725 /nfs/dbraw/zinc/07/17/25/241071725.db2.gz PKXVTMATCQLTLJ-JXFKEZNVSA-N 0 1 348.487 2.538 20 10 EFCDMN COC[C@@H]1CN(Cc2ccc(N3CCC(OC)CC3)cc2)C[C@@H](C)O1 ZINC000296035647 241072805 /nfs/dbraw/zinc/07/28/05/241072805.db2.gz PKXVTMATCQLTLJ-UZLBHIALSA-N 0 1 348.487 2.538 20 10 EFCDMN C[C@H](c1cc([N+](=O)[O-])ccc1[O-])[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000296308923 241080939 /nfs/dbraw/zinc/08/09/39/241080939.db2.gz GFTCKYRJMSZUMG-CHWSQXEVSA-N 0 1 349.431 2.975 20 10 EFCDMN COCCOC1(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CCOCC1 ZINC000296514188 241088367 /nfs/dbraw/zinc/08/83/67/241088367.db2.gz PPETZIGXGJDVNO-ZDUSSCGKSA-N 0 1 343.851 2.908 20 10 EFCDMN CCN(CC)c1ccc(CNC(=O)NCc2n[nH]c(C3CC3)n2)cc1 ZINC000297291698 241117968 /nfs/dbraw/zinc/11/79/68/241117968.db2.gz HIERBDCLUIVNSH-UHFFFAOYSA-N 0 1 342.447 2.528 20 10 EFCDMN CC(=O)c1cc(F)cc(CN2CCC(c3ccncn3)CC2)c1O ZINC000298101962 241141372 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COc1ccnc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000301209675 241186990 /nfs/dbraw/zinc/18/69/90/241186990.db2.gz SYMXBAWRVMYEBA-AWEZNQCLSA-N 0 1 348.834 2.921 20 10 EFCDMN CN(C)c1ccc(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1F ZINC000366284704 242349202 /nfs/dbraw/zinc/34/92/02/242349202.db2.gz ONSRZXWCMOJVCL-QGZVFWFLSA-N 0 1 332.423 2.560 20 10 EFCDMN C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@@]2(CCCOC2)O1 ZINC000366483924 242355068 /nfs/dbraw/zinc/35/50/68/242355068.db2.gz IKQSMYKCERTEGI-BDJLRTHQSA-N 0 1 329.799 2.955 20 10 EFCDMN CN(Cc1nnc[nH]1)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000367371658 242381256 /nfs/dbraw/zinc/38/12/56/242381256.db2.gz QKFWYNNLGRGKNV-UHFFFAOYSA-N 0 1 333.439 2.999 20 10 EFCDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1O ZINC000069818242 203054218 /nfs/dbraw/zinc/05/42/18/203054218.db2.gz VIBWUTUKEXBWHO-LBPRGKRZSA-N 0 1 329.356 2.759 20 10 EFCDMN C[C@@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273528088 296153690 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2.769 20 10 EFCDMN CC(C)N1C[C@H]([NH2+][C@H](C)c2cc(Br)ccc2[O-])CC1=O ZINC000273461832 279556417 /nfs/dbraw/zinc/55/64/17/279556417.db2.gz IHLNBIPGOWWKLJ-ZYHUDNBSSA-N 0 1 341.249 2.815 20 10 EFCDMN C[C@H](CC[S@@](C)=O)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000273452800 298464174 /nfs/dbraw/zinc/46/41/74/298464174.db2.gz GIXZVYPZNVCSNL-AUSHCKSDSA-N 0 1 334.279 2.962 20 10 EFCDMN CC(C)NC(=O)CC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000184981165 473289906 /nfs/dbraw/zinc/28/99/06/473289906.db2.gz LDOYILJBDBAXHH-SNVBAGLBSA-N 0 1 329.238 2.720 20 10 EFCDMN C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185028984 473305651 /nfs/dbraw/zinc/30/56/51/473305651.db2.gz ORYMOXZWQBGUNB-RYUDHWBXSA-N 0 1 343.265 2.526 20 10 EFCDMN C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000185179401 473352347 /nfs/dbraw/zinc/35/23/47/473352347.db2.gz ZMSCPFGYAXXYDY-JTQLQIEISA-N 0 1 326.318 2.875 20 10 EFCDMN Oc1cc2c(cc1CN1CCN(c3ccc(F)cc3)CC1)OCO2 ZINC000003349789 471443789 /nfs/dbraw/zinc/44/37/89/471443789.db2.gz NWDYFPRHGYHJQM-UHFFFAOYSA-N 0 1 330.359 2.582 20 10 EFCDMN COc1ccc(NS(=O)(=O)c2cccc3nsnc32)c(C)c1 ZINC000014223745 471863150 /nfs/dbraw/zinc/86/31/50/471863150.db2.gz RWZZSFJGRSELKM-UHFFFAOYSA-N 0 1 335.410 2.809 20 10 EFCDMN CC(=O)Nc1cccc2c1CCN(Cc1cc3c(cc1O)OCO3)C2 ZINC000054571711 472097489 /nfs/dbraw/zinc/09/74/89/472097489.db2.gz SOIXFYOUNSFHHA-UHFFFAOYSA-N 0 1 340.379 2.638 20 10 EFCDMN CCCCC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000041981148 472101351 /nfs/dbraw/zinc/10/13/51/472101351.db2.gz OJBHFAHLXIWSDY-UHFFFAOYSA-N 0 1 333.476 2.514 20 10 EFCDMN COc1ccc(N2CCN(C[C@@H](O)c3ccccc3)CC2)cc1F ZINC000084866800 472223530 /nfs/dbraw/zinc/22/35/30/472223530.db2.gz PKYLSNNIGXQIHL-GOSISDBHSA-N 0 1 330.403 2.690 20 10 EFCDMN CN(C)c1ccc(CN(C)C(=O)CN(C)CCc2cccs2)cc1 ZINC000075965267 472229936 /nfs/dbraw/zinc/22/99/36/472229936.db2.gz PYKXXKVUVQXJNN-UHFFFAOYSA-N 0 1 345.512 2.947 20 10 EFCDMN CC[N@H+](CCc1cnn(C)c1)Cc1cc(Br)ccc1[O-] ZINC000076118545 472277574 /nfs/dbraw/zinc/27/75/74/472277574.db2.gz USHAQQDMJOOPQC-UHFFFAOYSA-N 0 1 338.249 2.953 20 10 EFCDMN CC[N@@H+](CCc1cnn(C)c1)Cc1cc(Br)ccc1[O-] ZINC000076118545 472277577 /nfs/dbraw/zinc/27/75/77/472277577.db2.gz USHAQQDMJOOPQC-UHFFFAOYSA-N 0 1 338.249 2.953 20 10 EFCDMN COC(=O)c1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000071124165 472542922 /nfs/dbraw/zinc/54/29/22/472542922.db2.gz BANJGHKYLNQFID-UHFFFAOYSA-N 0 1 344.411 2.535 20 10 EFCDMN CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1c([O-])cccc1Cl)CC2 ZINC000130248109 472592150 /nfs/dbraw/zinc/59/21/50/472592150.db2.gz SMNYQLQICGFVFX-CVEARBPZSA-N 0 1 325.836 2.798 20 10 EFCDMN O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)N1CCCCCC1 ZINC000072952766 472746617 /nfs/dbraw/zinc/74/66/17/472746617.db2.gz YQEAUGYNLXPZMB-GOSISDBHSA-N 0 1 346.471 2.776 20 10 EFCDMN COCCC[N@@H+](CCOC)Cc1cc(Br)ccc1O ZINC000133095604 472774656 /nfs/dbraw/zinc/77/46/56/472774656.db2.gz SCVGIQGVQZKJNV-UHFFFAOYSA-N 0 1 332.238 2.640 20 10 EFCDMN COCCC[N@H+](CCOC)Cc1cc(Br)ccc1[O-] ZINC000133095604 472774660 /nfs/dbraw/zinc/77/46/60/472774660.db2.gz SCVGIQGVQZKJNV-UHFFFAOYSA-N 0 1 332.238 2.640 20 10 EFCDMN COCCC[N@@H+](CCOC)Cc1cc(Br)ccc1[O-] ZINC000133095604 472774664 /nfs/dbraw/zinc/77/46/64/472774664.db2.gz SCVGIQGVQZKJNV-UHFFFAOYSA-N 0 1 332.238 2.640 20 10 EFCDMN Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000092011088 472841975 /nfs/dbraw/zinc/84/19/75/472841975.db2.gz KEXNPLMGMUGYNX-WBMJQRKESA-N 0 1 335.835 2.725 20 10 EFCDMN Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000092011088 472841980 /nfs/dbraw/zinc/84/19/80/472841980.db2.gz KEXNPLMGMUGYNX-WBMJQRKESA-N 0 1 335.835 2.725 20 10 EFCDMN Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000092011090 472842051 /nfs/dbraw/zinc/84/20/51/472842051.db2.gz KEXNPLMGMUGYNX-LRDDRELGSA-N 0 1 335.835 2.725 20 10 EFCDMN Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000092011090 472842058 /nfs/dbraw/zinc/84/20/58/472842058.db2.gz KEXNPLMGMUGYNX-LRDDRELGSA-N 0 1 335.835 2.725 20 10 EFCDMN Cc1nnc(SCCC(=O)NCc2ccc(N3CCCC3)cc2)[nH]1 ZINC000073697232 472855630 /nfs/dbraw/zinc/85/56/30/472855630.db2.gz YVRCAFDHHDEKSD-UHFFFAOYSA-N 0 1 345.472 2.512 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)C[C@H]3C=CCC3)cc2F)CC1 ZINC000106702648 472882722 /nfs/dbraw/zinc/88/27/22/472882722.db2.gz IHWRPFQWFTVOKS-INIZCTEOSA-N 0 1 345.462 2.940 20 10 EFCDMN CCCOCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134265352 472889813 /nfs/dbraw/zinc/88/98/13/472889813.db2.gz ULYABUDKEYGRKH-OAHLLOKOSA-N 0 1 340.851 2.553 20 10 EFCDMN CCOc1cccc(CN2CCN(Cc3ccccn3)CC2)c1O ZINC000121950018 472951815 /nfs/dbraw/zinc/95/18/15/472951815.db2.gz UXSJYEGWSQTGAG-UHFFFAOYSA-N 0 1 327.428 2.504 20 10 EFCDMN C[C@@H](CS(=O)(=O)c1ccccc1)NCc1ccc(N(C)C)cc1 ZINC000121994599 472959641 /nfs/dbraw/zinc/95/96/41/472959641.db2.gz HADRZUOHWPDVEQ-HNNXBMFYSA-N 0 1 332.469 2.705 20 10 EFCDMN C[C@H](CS(=O)(=O)c1ccccc1)NCc1ccc(N(C)C)cc1 ZINC000121994800 472959761 /nfs/dbraw/zinc/95/97/61/472959761.db2.gz HADRZUOHWPDVEQ-OAHLLOKOSA-N 0 1 332.469 2.705 20 10 EFCDMN CCN(CC)[C@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccccc1 ZINC000122385395 473008246 /nfs/dbraw/zinc/00/82/46/473008246.db2.gz PNWJRHRMEUHPQX-IBGZPJMESA-N 0 1 342.439 2.840 20 10 EFCDMN OCCN(Cc1cccnc1)Cc1cc(Br)ccc1O ZINC000093085571 473040798 /nfs/dbraw/zinc/04/07/98/473040798.db2.gz YAECDAWFZOTWGX-UHFFFAOYSA-N 0 1 337.217 2.544 20 10 EFCDMN COc1ccc(CN(CCO)Cc2ccc(N(C)C)cc2)c(OC)c1 ZINC000093363657 473097262 /nfs/dbraw/zinc/09/72/62/473097262.db2.gz MDWXKDGPWREWNZ-UHFFFAOYSA-N 0 1 344.455 2.764 20 10 EFCDMN COc1ccccc1CNC(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000109773024 473119643 /nfs/dbraw/zinc/11/96/43/473119643.db2.gz AZKAEUOUKJJQPD-CQSZACIVSA-N 0 1 328.412 2.538 20 10 EFCDMN COc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2O)cc1OC ZINC000109773009 473120616 /nfs/dbraw/zinc/12/06/16/473120616.db2.gz VAMJEMKRWCVTGA-CYBMUJFWSA-N 0 1 344.411 2.868 20 10 EFCDMN CCOc1ccc(O)c(CN(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1 ZINC000093647059 473130474 /nfs/dbraw/zinc/13/04/74/473130474.db2.gz MGCXUPAIDASPQQ-RDJZCZTQSA-N 0 1 341.473 2.579 20 10 EFCDMN CC[N@@H+](C)C[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000093770190 473142751 /nfs/dbraw/zinc/14/27/51/473142751.db2.gz LNEUGLAHCQUWMU-LLVKDONJSA-N 0 1 327.812 2.727 20 10 EFCDMN CC[N@H+](CCS(C)(=O)=O)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093816082 473148655 /nfs/dbraw/zinc/14/86/55/473148655.db2.gz XBVPHXQWSKHSPF-UHFFFAOYSA-N 0 1 326.245 2.566 20 10 EFCDMN CC[N@@H+](CCS(C)(=O)=O)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093816082 473148657 /nfs/dbraw/zinc/14/86/57/473148657.db2.gz XBVPHXQWSKHSPF-UHFFFAOYSA-N 0 1 326.245 2.566 20 10 EFCDMN COc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2O)c(OC)c1 ZINC000111235631 473197949 /nfs/dbraw/zinc/19/79/49/473197949.db2.gz OULTVLPUHVVVEF-ZDUSSCGKSA-N 0 1 344.411 2.868 20 10 EFCDMN C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(Br)cc1[O-] ZINC000185639340 473475106 /nfs/dbraw/zinc/47/51/06/473475106.db2.gz MPDOOBFVVKCAIH-NOZJJQNGSA-N 0 1 332.263 2.673 20 10 EFCDMN C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185673945 473485413 /nfs/dbraw/zinc/48/54/13/473485413.db2.gz WJLRCCRMGQZNGJ-MDZLAQPJSA-N 0 1 344.249 2.999 20 10 EFCDMN Cn1cc(N2CC[NH+](Cc3cc(Cl)cc(Cl)c3[O-])CC2)cn1 ZINC000126092160 473487495 /nfs/dbraw/zinc/48/74/95/473487495.db2.gz LAIRZTHRTHSKDO-UHFFFAOYSA-N 0 1 341.242 2.755 20 10 EFCDMN CC(C)[C@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-])N1CCN(C)CC1 ZINC000191197454 473504296 /nfs/dbraw/zinc/50/42/96/473504296.db2.gz WQKSSYUWGWVBTI-CJNGLKHVSA-N 0 1 341.446 2.593 20 10 EFCDMN Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000127119173 473579097 /nfs/dbraw/zinc/57/90/97/473579097.db2.gz NMAMNJWKRUILRZ-INIZCTEOSA-N 0 1 335.835 2.725 20 10 EFCDMN C[C@H]([NH2+]CC1(CO)CCOCC1)c1ccc(Br)cc1[O-] ZINC000186149956 473601335 /nfs/dbraw/zinc/60/13/35/473601335.db2.gz QNGRCSOGRLVZRB-NSHDSACASA-N 0 1 344.249 2.594 20 10 EFCDMN COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000186356113 473658232 /nfs/dbraw/zinc/65/82/32/473658232.db2.gz TYRSRIBXJHHIEK-DOMZBBRYSA-N 0 1 342.867 2.874 20 10 EFCDMN CC(C)(C)OCc1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])no1 ZINC000186416150 473671212 /nfs/dbraw/zinc/67/12/12/473671212.db2.gz YWJKDTFMXFIKBL-UHFFFAOYSA-N 0 1 335.360 2.893 20 10 EFCDMN O=C(NC1CC1)[C@H]1CCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000179486386 473690800 /nfs/dbraw/zinc/69/08/00/473690800.db2.gz DEYFLHSSLWBKFK-LJQANCHMSA-N 0 1 327.472 2.920 20 10 EFCDMN O=C(NCc1ccco1)[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000179671692 473704792 /nfs/dbraw/zinc/70/47/92/473704792.db2.gz XRCWWFLEYWNBED-OAHLLOKOSA-N 0 1 334.803 2.919 20 10 EFCDMN C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])N1CCN(C)CC1 ZINC000192832405 473733946 /nfs/dbraw/zinc/73/39/46/473733946.db2.gz GSBKAHDGTPWICJ-RYUDHWBXSA-N 0 1 346.302 2.986 20 10 EFCDMN CC[C@H]([NH2+][C@H](C)CN1CCN(C)CC1)c1cccc(Cl)c1[O-] ZINC000287731531 473745915 /nfs/dbraw/zinc/74/59/15/473745915.db2.gz PDKQSEOFXURHFV-CJNGLKHVSA-N 0 1 325.884 2.722 20 10 EFCDMN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(F)ccc1O ZINC000179890887 473749483 /nfs/dbraw/zinc/74/94/83/473749483.db2.gz UFWSZLZWVPWPSY-UHFFFAOYSA-N 0 1 330.403 3.000 20 10 EFCDMN COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000179886970 473750321 /nfs/dbraw/zinc/75/03/21/473750321.db2.gz QHUXFEOMWWUSOG-GFCCVEGCSA-N 0 1 328.206 2.682 20 10 EFCDMN COC(=O)C[C@H]1CCC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000179886970 473750329 /nfs/dbraw/zinc/75/03/29/473750329.db2.gz QHUXFEOMWWUSOG-GFCCVEGCSA-N 0 1 328.206 2.682 20 10 EFCDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1ccc(N)cc1 ZINC000269256376 473751374 /nfs/dbraw/zinc/75/13/74/473751374.db2.gz JYZSFTGKKKFJPL-UHFFFAOYSA-N 0 1 338.455 2.510 20 10 EFCDMN CC[C@H]([NH2+]CC(=O)N(C)CC)c1cc(Br)ccc1[O-] ZINC000186804687 473759107 /nfs/dbraw/zinc/75/91/07/473759107.db2.gz VFVRUTSUYNVURD-LBPRGKRZSA-N 0 1 329.238 2.674 20 10 EFCDMN CN(C)c1ccc(CN(C(=O)CCCCc2cn[nH]n2)C2CC2)cc1 ZINC000274344622 473789584 /nfs/dbraw/zinc/78/95/84/473789584.db2.gz FMVMTXYFHSJWNH-UHFFFAOYSA-N 0 1 341.459 2.775 20 10 EFCDMN Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000187021009 473803916 /nfs/dbraw/zinc/80/39/16/473803916.db2.gz GICUNBNPBCHLHV-UHFFFAOYSA-N 0 1 337.445 2.975 20 10 EFCDMN CCc1nsc(N2CCCN(Cc3cc(F)ccc3O)CC2)n1 ZINC000180250851 473839190 /nfs/dbraw/zinc/83/91/90/473839190.db2.gz ZHWBSAJDJXQQMG-UHFFFAOYSA-N 0 1 336.436 2.658 20 10 EFCDMN Oc1ccc(F)cc1CN1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000281814303 473845590 /nfs/dbraw/zinc/84/55/90/473845590.db2.gz OBUBVXRVWHAUDE-QUCCMNQESA-N 0 1 342.414 2.617 20 10 EFCDMN C[C@@H](N[C@@H](C)C(=O)NCCF)c1ccc(N2CCCCC2)c(F)c1 ZINC000281931009 473888097 /nfs/dbraw/zinc/88/80/97/473888097.db2.gz AYUDJANIMLMZIO-KGLIPLIRSA-N 0 1 339.430 2.941 20 10 EFCDMN Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](CC(N)=O)C2)c1O ZINC000180560000 473904978 /nfs/dbraw/zinc/90/49/78/473904978.db2.gz SZTCYNHDYUBXES-NSHDSACASA-N 0 1 341.249 2.551 20 10 EFCDMN Cc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c(O)c1O ZINC000181776800 474062717 /nfs/dbraw/zinc/06/27/17/474062717.db2.gz FVVMSTFOXLWUHR-AWEZNQCLSA-N 0 1 330.384 2.566 20 10 EFCDMN O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000275132693 474079376 /nfs/dbraw/zinc/07/93/76/474079376.db2.gz KYBPRHMAIIIIFB-SECBINFHSA-N 0 1 336.741 2.546 20 10 EFCDMN O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000275132693 474079384 /nfs/dbraw/zinc/07/93/84/474079384.db2.gz KYBPRHMAIIIIFB-SECBINFHSA-N 0 1 336.741 2.546 20 10 EFCDMN COc1ccc([C@H](CCO)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])cc1 ZINC000182414085 474171463 /nfs/dbraw/zinc/17/14/63/474171463.db2.gz QLPJCQIATMCAOZ-SFHVURJKSA-N 0 1 347.386 2.956 20 10 EFCDMN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000182536155 474199989 /nfs/dbraw/zinc/19/99/89/474199989.db2.gz PWUGMIRZMNSKRI-KRWDZBQOSA-N 0 1 340.423 2.769 20 10 EFCDMN C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)N1CCCCCC1 ZINC000175426522 474217170 /nfs/dbraw/zinc/21/71/70/474217170.db2.gz JPVDPQCLWSDRHK-HNNXBMFYSA-N 0 1 331.460 2.743 20 10 EFCDMN COc1cc(Cl)cc(CN(CCCO)Cc2ccccn2)c1O ZINC000289455454 474277797 /nfs/dbraw/zinc/27/77/97/474277797.db2.gz NTRYVIIUASIIMB-UHFFFAOYSA-N 0 1 336.819 2.834 20 10 EFCDMN CCc1nc([C@@H](C)NC(=O)NCc2ccc(N3CCCC3)cc2)n[nH]1 ZINC000270824873 474282500 /nfs/dbraw/zinc/28/25/00/474282500.db2.gz ZFCLSKZLZCRWLM-CYBMUJFWSA-N 0 1 342.447 2.528 20 10 EFCDMN COc1ccc(F)cc1CNCc1ccc(N2CCOCC2)cc1 ZINC000189204592 474323760 /nfs/dbraw/zinc/32/37/60/474323760.db2.gz SHKOWIFZHLDJGR-UHFFFAOYSA-N 0 1 330.403 2.961 20 10 EFCDMN CCN(C)[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC000183439772 474379563 /nfs/dbraw/zinc/37/95/63/474379563.db2.gz WPPPVUZIXABFPQ-LIRRHRJNSA-N 0 1 342.439 2.838 20 10 EFCDMN CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000189408622 474387565 /nfs/dbraw/zinc/38/75/65/474387565.db2.gz GQCXXEZMVONFHT-UWVGGRQHSA-N 0 1 329.238 2.672 20 10 EFCDMN COCCn1cc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000271059564 474389937 /nfs/dbraw/zinc/38/99/37/474389937.db2.gz VWGUKJWYYITREK-UHFFFAOYSA-N 0 1 328.460 2.760 20 10 EFCDMN COCCn1cc(CN(Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000271059564 474389944 /nfs/dbraw/zinc/38/99/44/474389944.db2.gz VWGUKJWYYITREK-UHFFFAOYSA-N 0 1 328.460 2.760 20 10 EFCDMN Cc1ccc([C@@H](O)C[NH2+]Cc2cc(Br)ccc2[O-])o1 ZINC000266052123 474415539 /nfs/dbraw/zinc/41/55/39/474415539.db2.gz VIGBBCATTAHRLA-ZDUSSCGKSA-N 0 1 326.190 2.879 20 10 EFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC3(C2)CCOCC3)c1[O-] ZINC000271189883 474431427 /nfs/dbraw/zinc/43/14/27/474431427.db2.gz FQYNNWXAVCPOFB-UHFFFAOYSA-N 0 1 326.780 2.956 20 10 EFCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)COC(C)C ZINC000266534833 474434374 /nfs/dbraw/zinc/43/43/74/474434374.db2.gz HASYQURUNNKNSR-AWEZNQCLSA-N 0 1 346.265 2.763 20 10 EFCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)COC(C)C ZINC000266534833 474434378 /nfs/dbraw/zinc/43/43/78/474434378.db2.gz HASYQURUNNKNSR-AWEZNQCLSA-N 0 1 346.265 2.763 20 10 EFCDMN COC(=O)[C@@H](NCc1cccc(Cl)c1O)c1ccc2c(c1)CCO2 ZINC000189618425 474449613 /nfs/dbraw/zinc/44/96/13/474449613.db2.gz SPVQTFIWTCMBNC-INIZCTEOSA-N 0 1 347.798 2.984 20 10 EFCDMN Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000271276125 474470827 /nfs/dbraw/zinc/47/08/27/474470827.db2.gz KYSTYXVQLNKAMJ-MLGOLLRUSA-N 0 1 335.835 2.725 20 10 EFCDMN Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000271276125 474470832 /nfs/dbraw/zinc/47/08/32/474470832.db2.gz KYSTYXVQLNKAMJ-MLGOLLRUSA-N 0 1 335.835 2.725 20 10 EFCDMN Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000271276128 474471027 /nfs/dbraw/zinc/47/10/27/474471027.db2.gz KYSTYXVQLNKAMJ-WBMJQRKESA-N 0 1 335.835 2.725 20 10 EFCDMN Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000271276128 474471032 /nfs/dbraw/zinc/47/10/32/474471032.db2.gz KYSTYXVQLNKAMJ-WBMJQRKESA-N 0 1 335.835 2.725 20 10 EFCDMN CCN(Cc1cc(Cl)cc(OC)c1O)C[C@H](O)C(F)(F)F ZINC000189870883 474497400 /nfs/dbraw/zinc/49/74/00/474497400.db2.gz WMEKWGROCASXDI-NSHDSACASA-N 0 1 327.730 2.799 20 10 EFCDMN CCN(CC)c1ccc(CNCCS(=O)(=O)C(C)C)cc1F ZINC000290268211 474564517 /nfs/dbraw/zinc/56/45/17/474564517.db2.gz XPMANTIXVKKGGR-UHFFFAOYSA-N 0 1 330.469 2.585 20 10 EFCDMN O=C1CCCN1[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000276729600 474569436 /nfs/dbraw/zinc/56/94/36/474569436.db2.gz BINCIICXVFPMOM-LBPRGKRZSA-N 0 1 329.227 2.896 20 10 EFCDMN COc1cccc([C@@H](C)NCC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000271664087 474584381 /nfs/dbraw/zinc/58/43/81/474584381.db2.gz LPABKNAVTAADJL-OAHLLOKOSA-N 0 1 341.455 2.728 20 10 EFCDMN COc1ccc(CN(C)Cc2cc(OC)c(OC)cc2O)cc1O ZINC000271722335 474587268 /nfs/dbraw/zinc/58/72/68/474587268.db2.gz KJZDRSHGJGBBQA-UHFFFAOYSA-N 0 1 333.384 2.756 20 10 EFCDMN Cc1ccc(O)c(CN2CCN(c3nc(F)c(F)cc3F)CC2)c1 ZINC000277544456 474588246 /nfs/dbraw/zinc/58/82/46/474588246.db2.gz QMVFSGHCOVQQML-UHFFFAOYSA-N 0 1 337.345 2.835 20 10 EFCDMN Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000271757444 474588892 /nfs/dbraw/zinc/58/88/92/474588892.db2.gz DACIWBRWEVNMQH-CJNGLKHVSA-N 0 1 335.835 2.725 20 10 EFCDMN Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000271757449 474589308 /nfs/dbraw/zinc/58/93/08/474589308.db2.gz DACIWBRWEVNMQH-XJKSGUPXSA-N 0 1 335.835 2.725 20 10 EFCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCCc1cn[nH]n1 ZINC000184706999 474590969 /nfs/dbraw/zinc/59/09/69/474590969.db2.gz PJNPYMAKVHMEJM-UHFFFAOYSA-N 0 1 329.448 2.632 20 10 EFCDMN COc1ccc(N2CCN([C@@H]3Cc4ccccc4[C@H]3O)CC2)cc1F ZINC000271881810 474597996 /nfs/dbraw/zinc/59/79/96/474597996.db2.gz CEJCZSDIQCTTMZ-UYAOXDASSA-N 0 1 342.414 2.615 20 10 EFCDMN COc1c([O-])c(C[N@@H+](C)CC2(O)CCCCCC2)ccc1[N+](=O)[O-] ZINC000278118302 474600960 /nfs/dbraw/zinc/60/09/60/474600960.db2.gz ATZLUSCYCWNHFY-UHFFFAOYSA-N 0 1 338.404 2.826 20 10 EFCDMN COc1c(O)c(CN2CCC[N@H+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000278189928 474602424 /nfs/dbraw/zinc/60/24/24/474602424.db2.gz HYIJQKHZPDFLCG-UHFFFAOYSA-N 0 1 349.431 2.759 20 10 EFCDMN COc1c([O-])c(CN2CCC[N@@H+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000278189928 474602427 /nfs/dbraw/zinc/60/24/27/474602427.db2.gz HYIJQKHZPDFLCG-UHFFFAOYSA-N 0 1 349.431 2.759 20 10 EFCDMN COc1c([O-])c(CN2CCC[N@H+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000278189928 474602431 /nfs/dbraw/zinc/60/24/31/474602431.db2.gz HYIJQKHZPDFLCG-UHFFFAOYSA-N 0 1 349.431 2.759 20 10 EFCDMN COc1c([O-])c(C[N@@H+](CCCO)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000278257192 474605663 /nfs/dbraw/zinc/60/56/63/474605663.db2.gz PZQGFWLFSNFNKW-UHFFFAOYSA-N 0 1 346.383 2.694 20 10 EFCDMN CCOC1CC(O)(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])C1 ZINC000278595223 474727785 /nfs/dbraw/zinc/72/77/85/474727785.db2.gz ZFUPTJPZJQNZAK-VLRKGOCCSA-N 0 1 344.249 2.735 20 10 EFCDMN COCCN(Cc1n[nH]c(C(C)(C)C)n1)c1ccc(OC)c(OC)c1 ZINC000293063209 474793974 /nfs/dbraw/zinc/79/39/74/474793974.db2.gz ZBCZUSWEARCVJN-UHFFFAOYSA-N 0 1 348.447 2.772 20 10 EFCDMN COCc1ccc(OC)c(S(=O)(=O)Nc2ccc(O)cc2C)c1 ZINC000285000795 474857439 /nfs/dbraw/zinc/85/74/39/474857439.db2.gz FWGSLGZISMETEY-UHFFFAOYSA-N 0 1 337.397 2.656 20 10 EFCDMN COCCN1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2[O-])C1 ZINC000273371175 474864528 /nfs/dbraw/zinc/86/45/28/474864528.db2.gz COAMEHXTKHVDCU-YPMHNXCESA-N 0 1 343.265 2.526 20 10 EFCDMN CC(C)N1C[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1=O ZINC000273449275 474904305 /nfs/dbraw/zinc/90/43/05/474904305.db2.gz FRRYZDBNNNLPQU-JQWIXIFHSA-N 0 1 341.249 2.815 20 10 EFCDMN C[C@H](CC[S@](C)=O)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000273452806 474905921 /nfs/dbraw/zinc/90/59/21/474905921.db2.gz GIXZVYPZNVCSNL-MHNGPXOMSA-N 0 1 334.279 2.962 20 10 EFCDMN Cc1nnsc1CNCc1cc(Br)cc(C)c1O ZINC000292220300 474909038 /nfs/dbraw/zinc/90/90/38/474909038.db2.gz ABDJHPSTQDQYQQ-UHFFFAOYSA-N 0 1 328.235 2.913 20 10 EFCDMN C[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1cc(Br)ccc1[O-] ZINC000273590444 474979490 /nfs/dbraw/zinc/97/94/90/474979490.db2.gz OZXXNUWIWPBWDE-JTQLQIEISA-N 0 1 341.249 2.851 20 10 EFCDMN O=C(Nc1nc(-c2ccncc2)n[nH]1)C1=S=C2CCCCCC2=C1 ZINC000345249235 475027907 /nfs/dbraw/zinc/02/79/07/475027907.db2.gz LDRDSWHZYJVZOQ-UHFFFAOYSA-N 0 1 339.424 2.787 20 10 EFCDMN COCc1ccc(CNCc2ccc(N3CCC(CO)CC3)cc2)o1 ZINC000268768719 475041952 /nfs/dbraw/zinc/04/19/52/475041952.db2.gz CXECHPLZRKICHZ-UHFFFAOYSA-N 0 1 344.455 2.925 20 10 EFCDMN O=C1NCCC[N@H+](Cc2cccc(Cl)c2[O-])[C@@H]1Cc1ccccc1 ZINC000293731266 475049852 /nfs/dbraw/zinc/04/98/52/475049852.db2.gz UUSZACVMSTWNFT-QGZVFWFLSA-N 0 1 344.842 2.979 20 10 EFCDMN C[C@H]([NH2+]CCCc1cnn(C)n1)c1ccc(Br)cc1[O-] ZINC000293777044 475052398 /nfs/dbraw/zinc/05/23/98/475052398.db2.gz SPEKTRRHVHIGIN-JTQLQIEISA-N 0 1 339.237 2.567 20 10 EFCDMN C[C@H]([NH2+]CCCc1cnn(C)n1)c1cc(Br)ccc1[O-] ZINC000293876264 475055765 /nfs/dbraw/zinc/05/57/65/475055765.db2.gz ZZGHCDABYNYPAO-JTQLQIEISA-N 0 1 339.237 2.567 20 10 EFCDMN O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000273786468 475056200 /nfs/dbraw/zinc/05/62/00/475056200.db2.gz UJQAQFBHUZMSQV-GFCCVEGCSA-N 0 1 344.242 2.735 20 10 EFCDMN COc1ccc(N2CCN(Cc3n[nH]c(C(C)(C)C)n3)CC2)cc1F ZINC000292501413 475058984 /nfs/dbraw/zinc/05/89/84/475058984.db2.gz CGVPWORQVBLMTN-UHFFFAOYSA-N 0 1 347.438 2.572 20 10 EFCDMN CN(C)C(=O)CN(C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294551945 475071619 /nfs/dbraw/zinc/07/16/19/475071619.db2.gz KWWIMLHEHVRPDG-UHFFFAOYSA-N 0 1 331.485 2.905 20 10 EFCDMN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@H+]2Cc2cc3c(cc2O)OCO3)C1 ZINC000281133324 475083706 /nfs/dbraw/zinc/08/37/06/475083706.db2.gz DBQYJOROBFXCSU-MIGQKNRLSA-N 0 1 333.428 2.882 20 10 EFCDMN C[C@H](NC(=O)c1c([O-])c(O)ccc1F)[C@H](c1ccccc1)[NH+](C)C ZINC000294925554 475091299 /nfs/dbraw/zinc/09/12/99/475091299.db2.gz GXQILLRVYLURRA-MEDUHNTESA-N 0 1 332.375 2.658 20 10 EFCDMN CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1c([O-])c(O)ccc1F ZINC000295242034 475114625 /nfs/dbraw/zinc/11/46/25/475114625.db2.gz LSVDAOLVBBPVMO-UHFFFAOYSA-N 0 1 346.402 2.961 20 10 EFCDMN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2n[nH]c(C)n2)cc1F ZINC000287507275 475177740 /nfs/dbraw/zinc/17/77/40/475177740.db2.gz FGWKZHHGOKEBRK-NSHDSACASA-N 0 1 348.426 2.659 20 10 EFCDMN CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2n[nH]c(C)n2)cc1 ZINC000287570028 475199526 /nfs/dbraw/zinc/19/95/26/475199526.db2.gz KVOWKYRLAJOKJF-GFCCVEGCSA-N 0 1 330.436 2.520 20 10 EFCDMN Cc1c2ccccc2n(C)c1CNC(=O)N1CCN(C(C)C)CC1 ZINC000350366305 476156988 /nfs/dbraw/zinc/15/69/88/476156988.db2.gz MCENMHXKHBAKNR-UHFFFAOYSA-N 0 1 328.460 2.722 20 10 EFCDMN COc1ccc(N2CCN(CCCNc3ccccn3)CC2)cc1 ZINC000301075034 476158212 /nfs/dbraw/zinc/15/82/12/476158212.db2.gz OYVDLYKUAASSSW-UHFFFAOYSA-N 0 1 326.444 2.714 20 10 EFCDMN COc1cc(O)c(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)cc1OC ZINC000368596785 476359610 /nfs/dbraw/zinc/35/96/10/476359610.db2.gz VWEHTRFQETWXQG-CYBMUJFWSA-N 0 1 331.416 2.523 20 10 EFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000373163767 476380685 /nfs/dbraw/zinc/38/06/85/476380685.db2.gz KLPFKAYIPZOIGZ-UKRRQHHQSA-N 0 1 342.233 2.582 20 10 EFCDMN C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)CC2(CCOCC2)O1 ZINC000369285904 476404518 /nfs/dbraw/zinc/40/45/18/476404518.db2.gz YGMINKMVXVWSGX-LLVKDONJSA-N 0 1 329.799 2.955 20 10 EFCDMN O=C1CCC[C@H]1[C@H]1COCCN1Cc1c(O)ccc(Cl)c1F ZINC000373822173 476431662 /nfs/dbraw/zinc/43/16/62/476431662.db2.gz YLMXMOBGRGLTID-GXFFZTMASA-N 0 1 327.783 2.755 20 10 EFCDMN COc1ccc(N2CCCN(Cc3cnc([C@H](C)O)s3)CC2)cc1 ZINC000377619576 476477015 /nfs/dbraw/zinc/47/70/15/476477015.db2.gz VCUXWEZTPRXLAK-AWEZNQCLSA-N 0 1 347.484 2.917 20 10 EFCDMN CC(=O)c1cc(F)cc(CN2CC[C@](O)(c3ccc(F)cc3)C2)c1O ZINC000374891156 476575660 /nfs/dbraw/zinc/57/56/60/476575660.db2.gz BQZYMOFMXRZAEZ-LJQANCHMSA-N 0 1 347.361 2.967 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000374891156 476575665 /nfs/dbraw/zinc/57/56/65/476575665.db2.gz BQZYMOFMXRZAEZ-LJQANCHMSA-N 0 1 347.361 2.967 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000374891156 476575672 /nfs/dbraw/zinc/57/56/72/476575672.db2.gz BQZYMOFMXRZAEZ-LJQANCHMSA-N 0 1 347.361 2.967 20 10 EFCDMN Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2cccc(Cl)c2[O-])cn1 ZINC000378441581 476707964 /nfs/dbraw/zinc/70/79/64/476707964.db2.gz JHXOIAHDODJDOR-GOEBONIOSA-N 0 1 335.835 2.867 20 10 EFCDMN O=C(Cc1ccco1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000371214998 477181175 /nfs/dbraw/zinc/18/11/75/477181175.db2.gz HNYLUAZHPLJZBJ-HNNXBMFYSA-N 0 1 348.830 2.962 20 10 EFCDMN O=[N+]([O-])c1cc(Cl)cc(CN2CCC[N@H+]3CCC[C@H]3C2)c1[O-] ZINC000371417075 477305591 /nfs/dbraw/zinc/30/55/91/477305591.db2.gz RDMWFKHCSSDERD-ZDUSSCGKSA-N 0 1 325.796 2.624 20 10 EFCDMN C[C@]1(CO)C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@]1(C)CO ZINC000529668683 479242658 /nfs/dbraw/zinc/24/26/58/479242658.db2.gz MRIRDQJXKBXAJG-GASCZTMLSA-N 0 1 334.243 2.512 20 10 EFCDMN CC(=O)c1cc(F)cc(CN2CCC[C@@H](c3nc(C)no3)C2)c1O ZINC000177263046 527210433 /nfs/dbraw/zinc/21/04/33/527210433.db2.gz WQKUCCJWPLNXBE-GFCCVEGCSA-N 0 1 333.363 2.805 20 10 EFCDMN COc1c([O-])c(C[N@@H+]2CCC[C@H](OCC3CC3)C2)ccc1[N+](=O)[O-] ZINC000365125340 536862459 /nfs/dbraw/zinc/86/24/59/536862459.db2.gz ZRXZONJZRCOJJP-AWEZNQCLSA-N 0 1 336.388 2.700 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CCC[C@H](OCC3CC3)C2)ccc1[N+](=O)[O-] ZINC000365125340 536862466 /nfs/dbraw/zinc/86/24/66/536862466.db2.gz ZRXZONJZRCOJJP-AWEZNQCLSA-N 0 1 336.388 2.700 20 10 EFCDMN CCN1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C[C@@H]1C ZINC000754196596 575404978 /nfs/dbraw/zinc/40/49/78/575404978.db2.gz QHSMNUBMRKFKLZ-HNNXBMFYSA-N 0 1 326.444 2.655 20 10 EFCDMN CN1CCN(c2ccc(C[NH2+]C[C@H](CC(=O)[O-])C(C)(C)C)cc2)CC1 ZINC000756312475 575715828 /nfs/dbraw/zinc/71/58/28/575715828.db2.gz QHBBBQJVWSHWSV-KRWDZBQOSA-N 0 1 347.503 2.665 20 10 EFCDMN CC[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccn(C)n1 ZINC000756456485 575742254 /nfs/dbraw/zinc/74/22/54/575742254.db2.gz HKDFYVOXSKXGQZ-LJQANCHMSA-N 0 1 342.487 2.870 20 10 EFCDMN C[C@H]([NH2+]C[C@H](O)COCC1CC1)c1cc(Br)ccc1[O-] ZINC000756510036 575751547 /nfs/dbraw/zinc/75/15/47/575751547.db2.gz GJOWEALOGYXWKA-GWCFXTLKSA-N 0 1 344.249 2.593 20 10 EFCDMN C[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccc(Br)cc1[O-] ZINC000756510559 575751940 /nfs/dbraw/zinc/75/19/40/575751940.db2.gz KHOWBGRXXCJUFI-GXFFZTMASA-N 0 1 344.249 2.593 20 10 EFCDMN C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(Br)cc1[O-] ZINC000756546532 575759030 /nfs/dbraw/zinc/75/90/30/575759030.db2.gz RFUDHJRJBQOQHU-RYUDHWBXSA-N 0 1 343.265 2.526 20 10 EFCDMN C[C@@H]([NH2+]CC(=O)NC1CCCC1)c1ccc(Br)cc1[O-] ZINC000756704053 575779100 /nfs/dbraw/zinc/77/91/00/575779100.db2.gz DWYRJHKJIGMHRP-SNVBAGLBSA-N 0 1 341.249 2.864 20 10 EFCDMN CCn1cnnc1CC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000756732199 575781970 /nfs/dbraw/zinc/78/19/70/575781970.db2.gz IFBOBCBXIGEHEJ-JTQLQIEISA-N 0 1 339.237 2.659 20 10 EFCDMN CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000756774616 575785888 /nfs/dbraw/zinc/78/58/88/575785888.db2.gz KNAKCKUTEJXFBF-UFGOTCBOSA-N 0 1 341.249 2.720 20 10 EFCDMN C[C@H]([NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cc(Cl)ccc1[O-] ZINC000756837961 575790572 /nfs/dbraw/zinc/79/05/72/575790572.db2.gz KHVIEAGBDCBFPC-PGUXBMHVSA-N 0 1 348.834 2.624 20 10 EFCDMN Cc1nc(CC[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])n[nH]1 ZINC000757635872 575846517 /nfs/dbraw/zinc/84/65/17/575846517.db2.gz ADXAMBXKVIAEIV-ZETCQYMHSA-N 0 1 343.200 2.614 20 10 EFCDMN Cc1nnc(CC[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])[nH]1 ZINC000757635872 575846518 /nfs/dbraw/zinc/84/65/18/575846518.db2.gz ADXAMBXKVIAEIV-ZETCQYMHSA-N 0 1 343.200 2.614 20 10 EFCDMN COCC1(O)CC[NH+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1 ZINC000758374023 575868067 /nfs/dbraw/zinc/86/80/67/575868067.db2.gz ZILQXFCSSYNEJL-UHFFFAOYSA-N 0 1 345.439 2.991 20 10 EFCDMN CCN(CC)c1ccc(CN(C)[C@H](C)C(=O)NC[C@H]2CCCO2)cc1 ZINC000759643018 575914622 /nfs/dbraw/zinc/91/46/22/575914622.db2.gz KIRLXNWQKYFALV-VQIMIIECSA-N 0 1 347.503 2.648 20 10 EFCDMN CCN(CC)c1ccc(CN(C)[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000759643008 575914649 /nfs/dbraw/zinc/91/46/49/575914649.db2.gz KIRLXNWQKYFALV-LPHOPBHVSA-N 0 1 347.503 2.648 20 10 EFCDMN C[C@@H](N[C@@H](CO)CC(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000760035704 575974349 /nfs/dbraw/zinc/97/43/49/575974349.db2.gz CPNWACIUHVKMFS-VXGBXAGGSA-N 0 1 348.821 2.843 20 10 EFCDMN CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000760883221 576084774 /nfs/dbraw/zinc/08/47/74/576084774.db2.gz ARZXGWAAWMSTEI-WDBKCZKBSA-N 0 1 344.249 2.999 20 10 EFCDMN CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000760883195 576084778 /nfs/dbraw/zinc/08/47/78/576084778.db2.gz AQHVHHFGHBQUKD-RIEGTJTDSA-N 0 1 344.249 2.999 20 10 EFCDMN CN(C)c1ccc(CN(C(=O)CN(C)[C@H]2CCSC2)C2CC2)cc1 ZINC000760888169 576085264 /nfs/dbraw/zinc/08/52/64/576085264.db2.gz RNRCWTLWHJWSMO-SFHVURJKSA-N 0 1 347.528 2.681 20 10 EFCDMN COc1cc(Cl)cc(CN2CCC[C@@H](N3CCCC3=O)C2)c1O ZINC000761199348 576128357 /nfs/dbraw/zinc/12/83/57/576128357.db2.gz LRKBRGACVHSNLP-CQSZACIVSA-N 0 1 338.835 2.641 20 10 EFCDMN Oc1ccc2ccncc2c1CN1CCN(c2ncccc2F)CC1 ZINC000761299649 576142898 /nfs/dbraw/zinc/14/28/98/576142898.db2.gz NYQAHIUUSBFFNA-UHFFFAOYSA-N 0 1 338.386 2.797 20 10 EFCDMN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000763022472 576354500 /nfs/dbraw/zinc/35/45/00/576354500.db2.gz WJCAIOAQBYIBKC-ZDUSSCGKSA-N 0 1 344.463 2.863 20 10 EFCDMN COc1ccc2oc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2c1 ZINC000763288881 576371255 /nfs/dbraw/zinc/37/12/55/576371255.db2.gz CHQPKXJUYMKWOT-WJDWOHSUSA-N 0 1 334.331 2.903 20 10 EFCDMN CO[C@]1(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])CCOC1 ZINC000763572743 576381554 /nfs/dbraw/zinc/38/15/54/576381554.db2.gz OKTRXGRMQVOFCU-YGRLFVJLSA-N 0 1 330.222 2.611 20 10 EFCDMN CCN(CC)c1ccc(CNC(=O)CN(C)[C@@H]2CCSC2)cc1 ZINC000763926431 576411129 /nfs/dbraw/zinc/41/11/29/576411129.db2.gz PVXYWUCCJZRNCB-QGZVFWFLSA-N 0 1 335.517 2.586 20 10 EFCDMN CCc1cc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)[nH]n1 ZINC000766005630 577097686 /nfs/dbraw/zinc/09/76/86/577097686.db2.gz 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CCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000768446396 577274602 /nfs/dbraw/zinc/27/46/02/577274602.db2.gz NQOYXRIESXKKMV-IVJVFBROSA-N 0 1 347.455 2.844 20 10 EFCDMN C[N@@H+](Cc1cccc(C(N)=O)c1)Cc1cccc(Br)c1[O-] ZINC000768926651 577316943 /nfs/dbraw/zinc/31/69/43/577316943.db2.gz LBPICVQCMJTTCU-UHFFFAOYSA-N 0 1 349.228 2.886 20 10 EFCDMN C[N@H+](Cc1cccc(C(N)=O)c1)Cc1cc(Br)ccc1[O-] ZINC000768925974 577317108 /nfs/dbraw/zinc/31/71/08/577317108.db2.gz KGLPZDBAYAARAR-UHFFFAOYSA-N 0 1 349.228 2.886 20 10 EFCDMN C[N@@H+](Cc1cccc(C(N)=O)c1)Cc1cc(Br)ccc1[O-] ZINC000768925974 577317112 /nfs/dbraw/zinc/31/71/12/577317112.db2.gz KGLPZDBAYAARAR-UHFFFAOYSA-N 0 1 349.228 2.886 20 10 EFCDMN COc1cccc(O)c1CN1CCc2c(cccc2NC(C)=O)C1 ZINC000768985037 577322530 /nfs/dbraw/zinc/32/25/30/577322530.db2.gz NYTZUUXPUDXWSO-UHFFFAOYSA-N 0 1 326.396 2.918 20 10 EFCDMN COc1cccc(O)c1CN1CCCN(C(=O)OCC(C)C)CC1 ZINC000769224697 577345568 /nfs/dbraw/zinc/34/55/68/577345568.db2.gz 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ZINC000177659942 713891616 /nfs/dbraw/zinc/89/16/16/713891616.db2.gz QQYZJUOKIALULH-HNNXBMFYSA-N 0 1 332.375 2.578 20 10 EFCDMN CC(=O)CC(C)(C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246370 714133488 /nfs/dbraw/zinc/13/34/88/714133488.db2.gz BPVUKUZPKPUKQD-SFHVURJKSA-N 0 1 347.503 2.867 20 10 EFCDMN CC(=O)CC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCC1 ZINC000891247178 714134851 /nfs/dbraw/zinc/13/48/51/714134851.db2.gz GPYHKFYEPLGLEA-GOSISDBHSA-N 0 1 345.487 2.621 20 10 EFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc[nH]c1 ZINC000134263827 714284845 /nfs/dbraw/zinc/28/48/45/714284845.db2.gz QFKBSZDIBYZOMR-HNNXBMFYSA-N 0 1 333.819 2.768 20 10 EFCDMN Cc1cc(F)ncc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000891526104 714800548 /nfs/dbraw/zinc/80/05/48/714800548.db2.gz IRMGHTLBNZIHRW-UHFFFAOYSA-N 0 1 329.419 2.998 20 10 EFCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1NCCc2ccccc21 ZINC000326417687 714898230 /nfs/dbraw/zinc/89/82/30/714898230.db2.gz ROZNRNRJCKUIFQ-FQEVSTJZSA-N 0 1 337.467 2.988 20 10 EFCDMN COC(=O)C[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])C(C)(C)C ZINC000934033196 715181870 /nfs/dbraw/zinc/18/18/70/715181870.db2.gz WXRFJZGZNNMPFD-CQSZACIVSA-N 0 1 325.380 2.801 20 10 EFCDMN [O-]c1cc(Br)ccc1C[NH2+]CCO[C@@H]1CCCCO1 ZINC000894793260 722852148 /nfs/dbraw/zinc/85/21/48/722852148.db2.gz HXTZTBDTIMRIKW-CQSZACIVSA-N 0 1 330.222 2.788 20 10 EFCDMN CC[C@@H]([NH2+][C@@H]1COCC[C@H]1OC)c1cc(Br)ccc1[O-] ZINC000724886518 716318116 /nfs/dbraw/zinc/31/81/16/716318116.db2.gz HXEHDJDHBBPROQ-UMVBOHGHSA-N 0 1 344.249 2.999 20 10 EFCDMN CCOC(=O)[C@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000896961849 723915793 /nfs/dbraw/zinc/91/57/93/723915793.db2.gz FRMCKLMZUZQETF-NSHDSACASA-N 0 1 328.206 2.540 20 10 EFCDMN C/C(=C\c1ccco1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000893608246 717375985 /nfs/dbraw/zinc/37/59/85/717375985.db2.gz UFUUHNRYIWFXGF-JQIJEIRASA-N 0 1 339.439 2.751 20 10 EFCDMN O=C(Cc1ccccc1Cl)N1CCN(Cc2ccccc2O)CC1 ZINC000179563798 717788843 /nfs/dbraw/zinc/78/88/43/717788843.db2.gz XXTGSCFLTUXDST-UHFFFAOYSA-N 0 1 344.842 2.933 20 10 EFCDMN Cc1cc(O)c(CNc2ccc(N3CCN(C)CC3)nc2)cc1C ZINC000162908537 718367121 /nfs/dbraw/zinc/36/71/21/718367121.db2.gz RJQXKEAFAHFEHO-UHFFFAOYSA-N 0 1 326.444 2.768 20 10 EFCDMN CCn1cnc2c1CCN(Cc1cccc(Br)c1O)C2 ZINC000897336795 724608792 /nfs/dbraw/zinc/60/87/92/724608792.db2.gz OLRZVYMXQQUVNH-UHFFFAOYSA-N 0 1 336.233 2.929 20 10 EFCDMN COc1ccc(CN2CCC[C@@](OC)(C(F)(F)F)C2)c(O)c1OC ZINC000893876769 720137578 /nfs/dbraw/zinc/13/75/78/720137578.db2.gz XIXKIDRMLLCPKR-HNNXBMFYSA-N 0 1 349.349 2.953 20 10 EFCDMN O=C(Cc1ccccc1)N1CCN(Cc2cc(F)cc(F)c2O)CC1 ZINC000893926260 720164284 /nfs/dbraw/zinc/16/42/84/720164284.db2.gz UAAREQRPIRZLOE-UHFFFAOYSA-N 0 1 346.377 2.557 20 10 EFCDMN Cc1cc(N(C)C)ccc1CN1CCN(c2ncccc2F)CC1 ZINC000840916223 720947444 /nfs/dbraw/zinc/94/74/44/720947444.db2.gz IHYNMAQPTUVUAS-UHFFFAOYSA-N 0 1 328.435 2.917 20 10 EFCDMN CC(C)c1nc([C@@H]2COCCN2Cc2cc(F)cc(F)c2O)no1 ZINC000894427375 722733869 /nfs/dbraw/zinc/73/38/69/722733869.db2.gz NAQAKVSJGODBIY-ZDUSSCGKSA-N 0 1 339.342 2.750 20 10 EFCDMN Cc1noc([C@@H](C)NCc2cc(Br)cc(F)c2O)n1 ZINC000894543468 722777184 /nfs/dbraw/zinc/77/71/84/722777184.db2.gz QUXUHNBHLYZCJK-ZCFIWIBFSA-N 0 1 330.157 2.836 20 10 EFCDMN CC[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])[C@H]1CCNC1=O ZINC000894663110 722810479 /nfs/dbraw/zinc/81/04/79/722810479.db2.gz OYIMXFSEBURBDY-NSHDSACASA-N 0 1 347.640 2.519 20 10 EFCDMN COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894745930 722833003 /nfs/dbraw/zinc/83/30/03/722833003.db2.gz NAJYERYRWGAEQT-CYBMUJFWSA-N 0 1 339.260 2.598 20 10 EFCDMN COCC[C@@H]1COCCN1Cc1cc(Br)cc(F)c1O ZINC000894817739 722855861 /nfs/dbraw/zinc/85/58/61/722855861.db2.gz KSCSADKJXDZNMA-GFCCVEGCSA-N 0 1 348.212 2.531 20 10 EFCDMN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000894960185 723035442 /nfs/dbraw/zinc/03/54/42/723035442.db2.gz WDJHZVGFGTXNTG-SNVBAGLBSA-N 0 1 332.213 2.888 20 10 EFCDMN O=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(Br)cc(F)c1O ZINC000894969224 723038390 /nfs/dbraw/zinc/03/83/90/723038390.db2.gz AGUPDYIWZIJOPJ-PHIMTYICSA-N 0 1 328.181 2.990 20 10 EFCDMN O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Br)cc(F)c1[O-] ZINC000894969224 723038393 /nfs/dbraw/zinc/03/83/93/723038393.db2.gz AGUPDYIWZIJOPJ-PHIMTYICSA-N 0 1 328.181 2.990 20 10 EFCDMN O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Br)cc(F)c1[O-] ZINC000894969224 723038394 /nfs/dbraw/zinc/03/83/94/723038394.db2.gz AGUPDYIWZIJOPJ-PHIMTYICSA-N 0 1 328.181 2.990 20 10 EFCDMN NC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000895001694 723045707 /nfs/dbraw/zinc/04/57/07/723045707.db2.gz WFSARRACPSFXTA-SFHVURJKSA-N 0 1 330.815 2.675 20 10 EFCDMN NC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@H]1c1ccccc1 ZINC000895005960 723046953 /nfs/dbraw/zinc/04/69/53/723046953.db2.gz CHFBSFDTMNFZGK-JKSUJKDBSA-N 0 1 330.815 2.747 20 10 EFCDMN NC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])C[C@H]1c1ccccc1 ZINC000895005960 723046956 /nfs/dbraw/zinc/04/69/56/723046956.db2.gz CHFBSFDTMNFZGK-JKSUJKDBSA-N 0 1 330.815 2.747 20 10 EFCDMN NC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@H]1c1ccccc1 ZINC000895005960 723046958 /nfs/dbraw/zinc/04/69/58/723046958.db2.gz CHFBSFDTMNFZGK-JKSUJKDBSA-N 0 1 330.815 2.747 20 10 EFCDMN C[C@H]1C[C@H](CO)C[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895033209 723055738 /nfs/dbraw/zinc/05/57/38/723055738.db2.gz HDRFZBGTQHEGQC-UWVGGRQHSA-N 0 1 332.213 2.744 20 10 EFCDMN CC[C@H]1CCC[N@H+]1Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-] ZINC000727825629 723178979 /nfs/dbraw/zinc/17/89/79/723178979.db2.gz WDZUTQRXFFOESE-IBGZPJMESA-N 0 1 346.471 2.801 20 10 EFCDMN COc1ccc(CN[C@@H](CCO)c2ccccc2F)c(O)c1OC ZINC000895116587 723328131 /nfs/dbraw/zinc/32/81/31/723328131.db2.gz UAVOIJYKFVPMEF-HNNXBMFYSA-N 0 1 335.375 2.762 20 10 EFCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+](C)CC(C)(C)C)c1 ZINC000738090270 723510769 /nfs/dbraw/zinc/51/07/69/723510769.db2.gz NGQMBFJBUUQDLT-UHFFFAOYSA-N 0 1 348.487 2.905 20 10 EFCDMN Oc1ccc(Br)cc1CN1CCCC[C@H]1c1nnc[nH]1 ZINC000895196868 723863205 /nfs/dbraw/zinc/86/32/05/723863205.db2.gz IDZMPFAQEITGOF-LBPRGKRZSA-N 0 1 337.221 3.000 20 10 EFCDMN CCN(CC)c1ccc(CNC(=O)N2CCN(CC3CC3)CC2)cc1 ZINC000918227844 728855688 /nfs/dbraw/zinc/85/56/88/728855688.db2.gz AETNJMZHBOOGQR-UHFFFAOYSA-N 0 1 344.503 2.770 20 10 EFCDMN CSc1n[nH]c(NC(=O)c2cc(C)n(-c3ccccn3)c2C)n1 ZINC000727486826 724073776 /nfs/dbraw/zinc/07/37/76/724073776.db2.gz RFTZHVNQSXFFIV-UHFFFAOYSA-N 0 1 328.401 2.581 20 10 EFCDMN COc1ccc(CN[C@H](CO)c2ccc(F)cc2F)c(O)c1OC ZINC000895459337 724143228 /nfs/dbraw/zinc/14/32/28/724143228.db2.gz QKKDBQUITBITMG-CQSZACIVSA-N 0 1 339.338 2.511 20 10 EFCDMN COc1cccc(O)c1CN[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000895493623 724159328 /nfs/dbraw/zinc/15/93/28/724159328.db2.gz NMOJHZYTUWMRQP-AWEZNQCLSA-N 0 1 348.349 2.574 20 10 EFCDMN COc1cccc(O)c1CN[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000895495703 724167189 /nfs/dbraw/zinc/16/71/89/724167189.db2.gz WWAAGGWXDVUMIN-OAHLLOKOSA-N 0 1 346.814 2.949 20 10 EFCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895835599 724342211 /nfs/dbraw/zinc/34/22/11/724342211.db2.gz FIKZEVUCROKLAU-GFCCVEGCSA-N 0 1 327.705 2.931 20 10 EFCDMN COc1cc2c(cc1O)CCN(Cc1cc(C)cc(OC)c1O)C2 ZINC000895886930 724372647 /nfs/dbraw/zinc/37/26/47/724372647.db2.gz HVDDNLAGUHNWCV-UHFFFAOYSA-N 0 1 329.396 2.982 20 10 EFCDMN NC(=O)N=Nc1ccc(C(=O)N[C@@]23CCC[C@H]2N(CCF)CC3)cc1 ZINC000992547850 725956378 /nfs/dbraw/zinc/95/63/78/725956378.db2.gz LYEYWTXNIVUYQL-RHSMWYFYSA-N 0 1 347.394 2.545 20 10 EFCDMN CC(C)CNC(=O)NC(=O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000731847021 726941979 /nfs/dbraw/zinc/94/19/79/726941979.db2.gz AXOGYNHENZXMDG-UHFFFAOYSA-N 0 1 347.459 2.619 20 10 EFCDMN CN(CC(=O)NC1C2CC3CC(C2)CC1C3)Cc1ccccc1O ZINC000732203312 727004405 /nfs/dbraw/zinc/00/44/05/727004405.db2.gz WSIMIENSXCNGTH-UHFFFAOYSA-N 0 1 328.456 2.765 20 10 EFCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000915790522 727138604 /nfs/dbraw/zinc/13/86/04/727138604.db2.gz QSPFTQRTQKZEHA-HNNXBMFYSA-N 0 1 346.471 2.659 20 10 EFCDMN O=C(NCc1ccc(O)cc1O)[C@H]1CCCCN1Cc1ccccc1 ZINC000910951530 727472683 /nfs/dbraw/zinc/47/26/83/727472683.db2.gz SCGLZJDBHKFPOL-GOSISDBHSA-N 0 1 340.423 2.769 20 10 EFCDMN COc1ccc(N2CCC(NCc3csc(N(C)C)n3)CC2)cc1 ZINC000157089896 728038592 /nfs/dbraw/zinc/03/85/92/728038592.db2.gz NNNJRPOOACZAEL-UHFFFAOYSA-N 0 1 346.500 2.976 20 10 EFCDMN C[C@H](C(=O)[O-])[N@H+](Cc1cc(Br)cc(F)c1O)C1CC1 ZINC001602819687 971619287 /nfs/dbraw/zinc/61/92/87/971619287.db2.gz CYOSGCDOWPWBSW-SSDOTTSWSA-N 0 1 332.169 2.731 20 10 EFCDMN C[C@H](C(=O)[O-])[N@@H+](Cc1cc(Br)cc(F)c1O)C1CC1 ZINC001602819687 971619290 /nfs/dbraw/zinc/61/92/90/971619290.db2.gz CYOSGCDOWPWBSW-SSDOTTSWSA-N 0 1 332.169 2.731 20 10 EFCDMN C[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Br)[C@H]1C(=O)[O-] ZINC001589334629 953979766 /nfs/dbraw/zinc/97/97/66/953979766.db2.gz QNUCKEGQIKDFCK-NOZJJQNGSA-N 0 1 328.206 2.840 20 10 EFCDMN O=C([O-])[C@H]1CCCN(c2ccc(C[NH2+]Cc3c(O)cccc3F)o2)C1 ZINC001594915934 954751874 /nfs/dbraw/zinc/75/18/74/954751874.db2.gz IFKBEOBNOCRAJB-LBPRGKRZSA-N 0 1 348.374 2.715 20 10 EFCDMN Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000840997447 955584331 /nfs/dbraw/zinc/58/43/31/955584331.db2.gz KEZDHDAKYKEJBY-JTQLQIEISA-N 0 1 328.206 2.760 20 10 EFCDMN Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000840997447 955584343 /nfs/dbraw/zinc/58/43/43/955584343.db2.gz KEZDHDAKYKEJBY-JTQLQIEISA-N 0 1 328.206 2.760 20 10 EFCDMN CN(C)c1ccc(/C=C\C[N@@H+](CCC(=O)[O-])C2CCOCC2)cc1 ZINC000843037080 955620381 /nfs/dbraw/zinc/62/03/81/955620381.db2.gz SFQMSFKMUKUNRS-ARJAWSKDSA-N 0 1 332.444 2.722 20 10 EFCDMN COC1CCN(c2ccc(C[N@H+]3[C@@H](C)CC[C@H]3C(=O)[O-])cc2)CC1 ZINC001593950882 956382900 /nfs/dbraw/zinc/38/29/00/956382900.db2.gz DVFCJKDYPDVDBV-KSSFIOAISA-N 0 1 332.444 2.739 20 10 EFCDMN COc1c(O)c(C[N@@H+]2CCCC[C@@H]2CCC(=O)[O-])ccc1[N+](=O)[O-] ZINC001594048935 957959654 /nfs/dbraw/zinc/95/96/54/957959654.db2.gz YSKRRPLGVKCHJD-GFCCVEGCSA-N 0 1 338.360 2.528 20 10 EFCDMN COc1c(O)c(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])ccc1[N+](=O)[O-] ZINC001594048935 957959662 /nfs/dbraw/zinc/95/96/62/957959662.db2.gz YSKRRPLGVKCHJD-GFCCVEGCSA-N 0 1 338.360 2.528 20 10 EFCDMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001573822292 960971552 /nfs/dbraw/zinc/97/15/52/960971552.db2.gz IHRMKQHGXRVEQW-FQEVSTJZSA-N 0 1 346.471 2.725 20 10 EFCDMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000700994235 968984311 /nfs/dbraw/zinc/98/43/11/968984311.db2.gz WLBSPMYCZSXETL-MWLCHTKSSA-N 0 1 328.206 2.697 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)c1O ZINC000842935099 969232241 /nfs/dbraw/zinc/23/22/41/969232241.db2.gz INJDSMIYTRONBH-MWLCHTKSSA-N 0 1 325.792 2.933 20 10 EFCDMN C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000706637705 977356763 /nfs/dbraw/zinc/35/67/63/977356763.db2.gz VROUPBYTQVYERQ-AWEZNQCLSA-N 0 1 328.206 2.841 20 10 EFCDMN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1c(O)cccc1Br ZINC000706649741 977357380 /nfs/dbraw/zinc/35/73/80/977357380.db2.gz VGPBARAYDLBGRH-RULNRJAQSA-N 0 1 340.217 2.840 20 10 EFCDMN C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000706637708 977357528 /nfs/dbraw/zinc/35/75/28/977357528.db2.gz VROUPBYTQVYERQ-CQSZACIVSA-N 0 1 328.206 2.841 20 10 EFCDMN CC(C)C[N@H+](CC(=O)[O-])Cc1cc(Br)cc(F)c1O ZINC000715757851 977781829 /nfs/dbraw/zinc/78/18/29/977781829.db2.gz BBERFTAQWCACDC-UHFFFAOYSA-N 0 1 334.185 2.836 20 10 EFCDMN CC(C)C[N@@H+](CC(=O)[O-])Cc1cc(Br)cc(F)c1O ZINC000715757851 977781834 /nfs/dbraw/zinc/78/18/34/977781834.db2.gz BBERFTAQWCACDC-UHFFFAOYSA-N 0 1 334.185 2.836 20 10 EFCDMN COC1CCN(c2ccc(C[N@H+](CC(=O)[O-])CC(C)C)cc2)CC1 ZINC000846264683 979434294 /nfs/dbraw/zinc/43/42/94/979434294.db2.gz OPELSGJFQCNZSQ-UHFFFAOYSA-N 0 1 334.460 2.844 20 10 EFCDMN Cc1cc(C[N@H+]2CCO[C@H](CC(=O)[O-])C2)ccc1N1CCCCC1 ZINC000846273218 979437877 /nfs/dbraw/zinc/43/78/77/979437877.db2.gz TYOPQMNTGQRXJK-QGZVFWFLSA-N 0 1 332.444 2.661 20 10 EFCDMN Cc1cc(C[N@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)ccc1N(C)C ZINC000846276757 979444738 /nfs/dbraw/zinc/44/47/38/979444738.db2.gz BLZIJZYCXLHLNV-OAHLLOKOSA-N 0 1 330.350 2.900 20 10 EFCDMN COC1CCN(c2ccc(C[N@H+]3C4CCC3(C(=O)[O-])CC4)cc2)CC1 ZINC000872162337 980052970 /nfs/dbraw/zinc/05/29/70/980052970.db2.gz HVAATJUTULUGCI-UHFFFAOYSA-N 0 1 344.455 2.883 20 10 EFCDMN CCCN(CCC)c1ccc(C[N@H+]2CCOC[C@H]2CC(=O)[O-])cc1 ZINC000902002214 980680747 /nfs/dbraw/zinc/68/07/47/980680747.db2.gz NEHGTRAWCXHZLH-GOSISDBHSA-N 0 1 334.460 2.989 20 10 EFCDMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000903911640 981034462 /nfs/dbraw/zinc/03/44/62/981034462.db2.gz LDUWOUKTWMVMFB-IPMKNSEASA-N 0 1 344.455 2.598 20 10 EFCDMN Cc1cc(CNC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)oc1C(=O)[O-] ZINC000905810626 981162578 /nfs/dbraw/zinc/16/25/78/981162578.db2.gz MXCMWFKGHCCTGS-QGZVFWFLSA-N 0 1 345.443 2.745 20 10 EFCDMN CC[C@@](C)(C(=O)[O-])[N@H+](Cc1ccc(N2CCOCC2)cc1)CC1CC1 ZINC001594787805 981830769 /nfs/dbraw/zinc/83/07/69/981830769.db2.gz ONTMJDRELPPJLQ-FQEVSTJZSA-N 0 1 346.471 2.989 20 10 EFCDMN CCCN(CCC)c1ccc(C[N@H+]2CCC[C@@H](O)[C@@H]2C(=O)[O-])cc1 ZINC001595877571 982866002 /nfs/dbraw/zinc/86/60/02/982866002.db2.gz GYQCJBXPCADCET-QZTJIDSGSA-N 0 1 334.460 2.723 20 10 EFCDMN CCN(C)c1ccc(C[N@H+]2[C@@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)cc1 ZINC001596194447 983577456 /nfs/dbraw/zinc/57/74/56/983577456.db2.gz MWBUDYVQGGTLAC-NKGKWGDASA-N 0 1 332.444 2.738 20 10 EFCDMN CCOc1ccc(C[C@@H](C[NH2+]Cc2cccc(F)c2O)C(=O)[O-])cc1 ZINC001597094743 986681603 /nfs/dbraw/zinc/68/16/03/986681603.db2.gz HFAIROFGJNEJBU-HNNXBMFYSA-N 0 1 347.386 2.963 20 10 EFCDMN COc1ccc(N2CCC[N@@H+](Cc3occc3C(=O)[O-])CC2)cc1 ZINC001599585071 993601804 /nfs/dbraw/zinc/60/18/04/993601804.db2.gz IMYAWZNFIYNMIX-UHFFFAOYSA-N 0 1 330.384 2.699 20 10 EFCDMN CO[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC001599079728 996971656 /nfs/dbraw/zinc/97/16/56/996971656.db2.gz YBKGEQZXXSTXAD-IBGZPJMESA-N 0 1 341.363 2.967 20 10 EFCDMN COc1cc(C[N@H+](CC(=O)[O-])Cc2cccc(C)c2O)cc(OC)c1 ZINC001599406070 997304789 /nfs/dbraw/zinc/30/47/89/997304789.db2.gz VUWLFHDCCXQBLE-UHFFFAOYSA-N 0 1 345.395 2.805 20 10 EFCDMN COc1cc(C[N@@H+](CC(=O)[O-])Cc2cccc(C)c2O)cc(OC)c1 ZINC001599406070 997304800 /nfs/dbraw/zinc/30/48/00/997304800.db2.gz VUWLFHDCCXQBLE-UHFFFAOYSA-N 0 1 345.395 2.805 20 10 EFCDMN COc1cc(C[N@H+]2CC[C@](F)(C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC001599407440 997347656 /nfs/dbraw/zinc/34/76/56/997347656.db2.gz QVGIQULZQIBALI-QGZVFWFLSA-N 0 1 325.380 2.697 20 10 EFCDMN COc1cc(C[N@H+]2CC[C@@](F)(C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC001599407438 997348062 /nfs/dbraw/zinc/34/80/62/997348062.db2.gz QVGIQULZQIBALI-KRWDZBQOSA-N 0 1 325.380 2.697 20 10 EFCDMN COC(=O)c1cc(C[N@@H+](C)Cc2ccccc2O)cc(C(=O)[O-])c1 ZINC001598929551 997719081 /nfs/dbraw/zinc/71/90/81/997719081.db2.gz PAHDMUSMSNLUAY-UHFFFAOYSA-N 0 1 329.352 2.509 20 10 EFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000691431975 1126106407 /nfs/dbraw/zinc/10/64/07/1126106407.db2.gz XXBVDLFJBOYCJI-OAHLLOKOSA-N 0 1 336.229 2.848 20 10 EFCDMN Cc1cc(CNC(=O)N2CCNC[C@H]2C)c(C)n1-c1ccccc1 ZINC001579601818 1090640460 /nfs/dbraw/zinc/64/04/60/1090640460.db2.gz GDWYCRKKTNIBAW-OAHLLOKOSA-N 0 1 326.444 2.597 20 10 EFCDMN [NH3+][C@@H](Cc1cc2ccccc2o1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001580134079 1090785275 /nfs/dbraw/zinc/78/52/75/1090785275.db2.gz HNMNGXNXPKDLPO-HNNXBMFYSA-N 0 1 344.798 2.978 20 10 EFCDMN CCN(C)c1ccc([C@@H](C)NCc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC001590679066 1093544536 /nfs/dbraw/zinc/54/45/36/1093544536.db2.gz QHHDICOQNXMLNW-CYBMUJFWSA-N 0 1 337.431 2.569 20 10 EFCDMN C[N@@H+](Cc1cc(-c2nn[nH]n2)cs1)Cc1cc(F)cc(F)c1[O-] ZINC001591129999 1093666983 /nfs/dbraw/zinc/66/69/83/1093666983.db2.gz CPMYETISXYMNSD-UHFFFAOYSA-N 0 1 337.355 2.544 20 10 EFCDMN C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1c([O-])ccc(Cl)c1F ZINC001591145723 1093672530 /nfs/dbraw/zinc/67/25/30/1093672530.db2.gz LFEIZOYHSHAHSO-UHFFFAOYSA-N 0 1 347.781 2.997 20 10 EFCDMN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(-c2nn[nH]n2)o1 ZINC001593539048 1094350835 /nfs/dbraw/zinc/35/08/35/1094350835.db2.gz PLUMODQXGOBGSW-UHFFFAOYSA-N 0 1 340.170 2.762 20 10 EFCDMN Cc1cc(Br)c(O)c(C[NH2+][C@](C)(CCF)C(=O)[O-])c1 ZINC001600071522 1094751676 /nfs/dbraw/zinc/75/16/76/1094751676.db2.gz XSCFWOBGXXSAQE-CYBMUJFWSA-N 0 1 334.185 2.756 20 10 EFCDMN Cc1cc(Br)c(O)c(C[NH2+][C@H]2CC=C(C(=O)[O-])C2)c1 ZINC001600071308 1094751801 /nfs/dbraw/zinc/75/18/01/1094751801.db2.gz RFQWARFHOAALJW-NSHDSACASA-N 0 1 326.190 2.726 20 10 EFCDMN COC(=O)[C@@H]1CCN1Cc1cc(Cl)cc(Br)c1O ZINC001141367754 1094822093 /nfs/dbraw/zinc/82/20/93/1094822093.db2.gz OWQLVVPETGPNLG-JTQLQIEISA-N 0 1 334.597 2.555 20 10 EFCDMN Cc1cc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)ccc1C(=O)[O-] ZINC001600205469 1094877592 /nfs/dbraw/zinc/87/75/92/1094877592.db2.gz AYRUIFYNJDXPCI-SFHVURJKSA-N 0 1 327.428 2.549 20 10 EFCDMN COC(=O)C[C@@](C)(NCc1ccc2c(c1)CCCO2)c1ccncc1 ZINC000893686480 1095911534 /nfs/dbraw/zinc/91/15/34/1095911534.db2.gz FTVSEWJZZJHHGT-HXUWFJFHSA-N 0 1 340.423 2.975 20 10 EFCDMN O=C([O-])C[N@@H+](Cc1ccc(F)c(F)c1)Cc1cc(F)ccc1O ZINC001602058882 1096045036 /nfs/dbraw/zinc/04/50/36/1096045036.db2.gz KOCAIOCCASGGJN-UHFFFAOYSA-N 0 1 325.286 2.896 20 10 EFCDMN O=C([O-])[C@@H]1C[N@@H+](Cc2cccc(F)c2O)C[C@H]1c1ccc(O)cc1 ZINC001602188622 1096108663 /nfs/dbraw/zinc/10/86/63/1096108663.db2.gz GFYBLQUYNMKYNV-LSDHHAIUSA-N 0 1 331.343 2.537 20 10 EFCDMN O=C([O-])[C@@H]1C[N@H+](Cc2cccc(F)c2O)C[C@H]1c1ccc(O)cc1 ZINC001602188622 1096108668 /nfs/dbraw/zinc/10/86/68/1096108668.db2.gz GFYBLQUYNMKYNV-LSDHHAIUSA-N 0 1 331.343 2.537 20 10 EFCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCOC3(CCC3)C2)c1O ZINC001602303822 1096167667 /nfs/dbraw/zinc/16/76/67/1096167667.db2.gz HPSKACSJLYMAFF-UHFFFAOYSA-N 0 1 327.380 2.999 20 10 EFCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CC[C@H](n3cccn3)C2)c1O ZINC001602304211 1096167797 /nfs/dbraw/zinc/16/77/97/1096167797.db2.gz PVYDOHNEPASELD-AWEZNQCLSA-N 0 1 337.379 2.887 20 10 EFCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCO[C@@H](CCF)C2)c1O ZINC001602304677 1096167883 /nfs/dbraw/zinc/16/78/83/1096167883.db2.gz YKWPIIMPGJWSGM-ZDUSSCGKSA-N 0 1 333.359 2.804 20 10 EFCDMN CN(C)c1cc(F)c(CNCc2cccc(-c3nn[nH]n3)c2)cc1F ZINC001604696547 1096932994 /nfs/dbraw/zinc/93/29/94/1096932994.db2.gz FYHZQCPBKLVPFW-UHFFFAOYSA-N 0 1 344.369 2.501 20 10 EFCDMN CN(C)c1ccc(CNc2nc(-c3nn[nH]n3)c(Cl)s2)cc1 ZINC001604704718 1096936481 /nfs/dbraw/zinc/93/64/81/1096936481.db2.gz URCDLXXDYBUHMN-UHFFFAOYSA-N 0 1 335.824 2.655 20 10 EFCDMN CC[N@@H+]1[C@H](C)CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC001605487356 1097135882 /nfs/dbraw/zinc/13/58/82/1097135882.db2.gz JPPAFPGQZWAULW-ZZSKPALWSA-N 0 1 333.388 2.612 20 10 EFCDMN CC[N@@H+]1[C@H](C)CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC001605487355 1097136053 /nfs/dbraw/zinc/13/60/53/1097136053.db2.gz JPPAFPGQZWAULW-UMJOLFIYSA-N 0 1 333.388 2.612 20 10 EFCDMN COc1cc(C)c(C[N@H+]2CCOc3c(cccc3C(=O)[O-])C2)c(O)c1 ZINC001607148607 1097543603 /nfs/dbraw/zinc/54/36/03/1097543603.db2.gz KPDCTLLECZCSMA-UHFFFAOYSA-N 0 1 343.379 2.802 20 10 EFCDMN O=C([O-])[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1cccc(O)c1 ZINC001608547986 1097949750 /nfs/dbraw/zinc/94/97/50/1097949750.db2.gz FUPNEXKZFHMKPD-CQSZACIVSA-N 0 1 325.723 2.806 20 10 EFCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCc3nccnc3C2)c1O ZINC001608865993 1098049051 /nfs/dbraw/zinc/04/90/51/1098049051.db2.gz REBYIQDEQRYHPJ-UHFFFAOYSA-N 0 1 335.363 2.592 20 10 EFCDMN COc1cc(C[N@H+]2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c(O)cc1C ZINC001610296064 1098607210 /nfs/dbraw/zinc/60/72/10/1098607210.db2.gz QRMNWPQDSJZZCK-FQEVSTJZSA-N 0 1 341.407 2.938 20 10 EFCDMN O=C([O-])[C@@H]1[C@@H](C[N@@H+](Cc2ccco2)Cc2ccccc2O)C1(F)F ZINC001610731656 1098856141 /nfs/dbraw/zinc/85/61/41/1098856141.db2.gz PEJVOTNYWBDFLR-HIFRSBDPSA-N 0 1 337.322 2.953 20 10 EFCDMN CCOC(=O)[C@@H](CC)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000839771023 1100406779 /nfs/dbraw/zinc/40/67/79/1100406779.db2.gz OPLFTLCVHQCMDI-JTQLQIEISA-N 0 1 334.199 2.905 20 10 EFCDMN CC(C)Oc1cc(NCc2ccc(N3CCN(C)CC3)cc2)ncn1 ZINC001167422852 1101574703 /nfs/dbraw/zinc/57/47/03/1101574703.db2.gz DQMASPDFOLCTPC-UHFFFAOYSA-N 0 1 341.459 2.628 20 10 EFCDMN CCOc1cc(C)nc(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC001167422788 1101574727 /nfs/dbraw/zinc/57/47/27/1101574727.db2.gz BPNIGCIEDSGZBH-UHFFFAOYSA-N 0 1 341.459 2.548 20 10 EFCDMN Cc1ncc(Cl)nc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167427034 1101585212 /nfs/dbraw/zinc/58/52/12/1101585212.db2.gz UXBARTBLMPNKMH-UHFFFAOYSA-N 0 1 331.851 2.802 20 10 EFCDMN CN1CCN(c2ccc(CNc3ccc4c(c3)NCCO4)cc2)CC1 ZINC001167431134 1101612860 /nfs/dbraw/zinc/61/28/60/1101612860.db2.gz IQEPOXIWCNZELZ-UHFFFAOYSA-N 0 1 338.455 2.855 20 10 EFCDMN CN1CCN(c2ccc(CNc3ccc(-n4ccnn4)cc3)cc2)CC1 ZINC001167431380 1101616106 /nfs/dbraw/zinc/61/61/06/1101616106.db2.gz WPTWRAKODHSFJQ-UHFFFAOYSA-N 0 1 348.454 2.631 20 10 EFCDMN COc1ncc(C)cc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167434183 1101660690 /nfs/dbraw/zinc/66/06/90/1101660690.db2.gz DZRRWMUCFSYYRT-UHFFFAOYSA-N 0 1 326.444 2.763 20 10 EFCDMN CN1CCN(c2ccc(CNc3ccc4cnccc4n3)cc2)CC1 ZINC001167437191 1101718014 /nfs/dbraw/zinc/71/80/14/1101718014.db2.gz OPTYNSKJINIDIC-UHFFFAOYSA-N 0 1 333.439 2.994 20 10 EFCDMN CN1CCN(c2ccc(CNc3ccc(C(N)=S)cc3)cc2)CC1 ZINC001167436987 1101718631 /nfs/dbraw/zinc/71/86/31/1101718631.db2.gz JYQWVNCQLSWWCT-UHFFFAOYSA-N 0 1 340.496 2.685 20 10 EFCDMN CC[C@@H]([NH2+]C[C@@H]1CCCNC1=O)c1cc(Br)ccc1[O-] ZINC000840825813 1101754433 /nfs/dbraw/zinc/75/44/33/1101754433.db2.gz MUUROIBIVNHHEA-GXFFZTMASA-N 0 1 341.249 2.722 20 10 EFCDMN CN(C)[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000588405795 1101925125 /nfs/dbraw/zinc/92/51/25/1101925125.db2.gz XJFHIAPRLVULDT-FIRRRZPPSA-N 0 1 344.386 2.669 20 10 EFCDMN COc1ccc(O)c([C@H](C)NCc2ccccc2S(C)(=O)=O)c1 ZINC000840867122 1101945714 /nfs/dbraw/zinc/94/57/14/1101945714.db2.gz NXNWBCBFLHEUNK-LBPRGKRZSA-N 0 1 335.425 2.655 20 10 EFCDMN COCC[N@H+](Cc1ccc(Cl)cc1[O-])C1CCN(C(C)=O)CC1 ZINC001140467555 1102532145 /nfs/dbraw/zinc/53/21/45/1102532145.db2.gz XFLZQCYCJNLKCV-UHFFFAOYSA-N 0 1 340.851 2.505 20 10 EFCDMN COCC[N@@H+](Cc1ccc(Cl)cc1[O-])C1CCN(C(C)=O)CC1 ZINC001140467555 1102532152 /nfs/dbraw/zinc/53/21/52/1102532152.db2.gz XFLZQCYCJNLKCV-UHFFFAOYSA-N 0 1 340.851 2.505 20 10 EFCDMN CC(C)(C)N1CC[C@H]1C(=O)NCc1cccc(Br)c1O ZINC000897577335 1105779794 /nfs/dbraw/zinc/77/97/94/1105779794.db2.gz VVNAGCWMHGRHSA-LBPRGKRZSA-N 0 1 341.249 2.644 20 10 EFCDMN CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(F)c(F)cc3[O-])C[C@@H]21 ZINC001142530348 1106228585 /nfs/dbraw/zinc/22/85/85/1106228585.db2.gz FJYKXTZVTUJCQJ-FZMZJTMJSA-N 0 1 340.370 2.722 20 10 EFCDMN O=C1N(CC2CCCC2)CC[C@@]12CCCN2Cc1cc(O)ccc1O ZINC001272386201 1108149105 /nfs/dbraw/zinc/14/91/05/1108149105.db2.gz BXZZOLBJPBOAAZ-FQEVSTJZSA-N 0 1 344.455 2.855 20 10 EFCDMN O=C1CCN(Cc2cc(Br)cc(F)c2O)CC[C@@H]1F ZINC001235056821 1111602785 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EFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@]2(CO)CCc3ccccc32)c1[O-] ZINC000305738321 241203170 /nfs/dbraw/zinc/20/31/70/241203170.db2.gz QPEHHTLALABAAA-LJQANCHMSA-N 0 1 329.371 2.658 20 10 EFCDMN C[C@H](CNC(=O)NCc1ccccc1O)N1CCc2ccccc2C1 ZINC000299528604 241179283 /nfs/dbraw/zinc/17/92/83/241179283.db2.gz RWNOZXINWIYDTL-OAHLLOKOSA-N 0 1 339.439 2.638 20 10 EFCDMN COc1cccc([C@H](CNC(=O)NCc2ccccc2O)N(C)C)c1 ZINC000299561597 241180750 /nfs/dbraw/zinc/18/07/50/241180750.db2.gz ZTCCMYROLHLTIV-KRWDZBQOSA-N 0 1 343.427 2.503 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)NC3(CC)CC3)cc2F)CC1 ZINC000297817472 241135728 /nfs/dbraw/zinc/13/57/28/241135728.db2.gz XIEUFVKLRHZSBF-UHFFFAOYSA-N 0 1 348.466 2.709 20 10 EFCDMN Cc1cc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)n(C)n1 ZINC000009115370 211041512 /nfs/dbraw/zinc/04/15/12/211041512.db2.gz UYFPTWVVHDBREA-UHFFFAOYSA-N 0 1 335.820 2.989 20 10 EFCDMN COCCOC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177350858 533114185 /nfs/dbraw/zinc/11/41/85/533114185.db2.gz SJVFIXAHNKMVEC-CYBMUJFWSA-N 0 1 341.835 2.733 20 10 EFCDMN COCCOC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177350858 533114191 /nfs/dbraw/zinc/11/41/91/533114191.db2.gz SJVFIXAHNKMVEC-CYBMUJFWSA-N 0 1 341.835 2.733 20 10 EFCDMN C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000279397958 278262913 /nfs/dbraw/zinc/26/29/13/278262913.db2.gz KRVDTNAPEMOLKI-NSHDSACASA-N 0 1 333.259 2.852 20 10 EFCDMN C[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc2ccccc2c1[O-] ZINC000273621449 279534726 /nfs/dbraw/zinc/53/47/26/279534726.db2.gz ZDTHUWOUIHBWGS-ZFWWWQNUSA-N 0 1 348.468 2.620 20 10 EFCDMN CC(C)C(=O)NCC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000184869009 473259006 /nfs/dbraw/zinc/25/90/06/473259006.db2.gz POZBXKLPPSWEAC-JTQLQIEISA-N 0 1 329.238 2.578 20 10 EFCDMN COc1ccc(N2CCN(CCCNC(=O)C3CCCC3)CC2)cc1 ZINC000011853407 471760674 /nfs/dbraw/zinc/76/06/74/471760674.db2.gz HEVDSOGUCHXNGI-UHFFFAOYSA-N 0 1 345.487 2.514 20 10 EFCDMN COc1ccc(CN(C)Cc2cc3c(cc2O)OCO3)c(OC)c1 ZINC000022311357 472013001 /nfs/dbraw/zinc/01/30/01/472013001.db2.gz CBLHLTAGWIOPBR-UHFFFAOYSA-N 0 1 331.368 2.770 20 10 EFCDMN COc1ccc(-n2c(C)cc(C(=O)N3CCCN(C)CC3)c2C)cc1 ZINC000096942993 472400353 /nfs/dbraw/zinc/40/03/53/472400353.db2.gz AOYMOCFPQVYIGP-UHFFFAOYSA-N 0 1 341.455 2.880 20 10 EFCDMN C[C@@H]1CCCN(C(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000096970979 472403044 /nfs/dbraw/zinc/40/30/44/472403044.db2.gz DGCBYPQYMGJHLO-AEFFLSMTSA-N 0 1 346.471 2.632 20 10 EFCDMN CCCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c(O)c1 ZINC000154835094 472477694 /nfs/dbraw/zinc/47/76/94/472477694.db2.gz FPJVENVHIGPSGX-QGZVFWFLSA-N 0 1 346.471 2.919 20 10 EFCDMN COc1ccc2c(c1)[nH]cc(C(=O)N(C)Cc1ccccc1O)c2=O ZINC000077258401 472488168 /nfs/dbraw/zinc/48/81/68/472488168.db2.gz XSDXYEVKORDMDB-UHFFFAOYSA-N 0 1 338.363 2.515 20 10 EFCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCCCNC1=O ZINC000119216428 472536212 /nfs/dbraw/zinc/53/62/12/472536212.db2.gz RIDDXXUPUMLQAZ-CYBMUJFWSA-N 0 1 341.249 2.645 20 10 EFCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCCCNC1=O ZINC000119216428 472536204 /nfs/dbraw/zinc/53/62/04/472536204.db2.gz RIDDXXUPUMLQAZ-CYBMUJFWSA-N 0 1 341.249 2.645 20 10 EFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1[O-] ZINC000129946394 472574164 /nfs/dbraw/zinc/57/41/64/472574164.db2.gz TXRUBVFUJNEGNC-SNVBAGLBSA-N 0 1 326.780 2.955 20 10 EFCDMN Cc1[nH]ncc1CCCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000058483302 472575650 /nfs/dbraw/zinc/57/56/50/472575650.db2.gz NOKRCYGBPKWUPW-UHFFFAOYSA-N 0 1 341.459 2.533 20 10 EFCDMN CC[N@@H+](C)[C@H](C(=O)NCc1cccc(OC)c1O)c1ccccc1 ZINC000105649788 472765184 /nfs/dbraw/zinc/76/51/84/472765184.db2.gz UCPFWQBZZYUQSZ-KRWDZBQOSA-N 0 1 328.412 2.710 20 10 EFCDMN CCN(C)[C@H](C(=O)NCc1cccc(OC)c1O)c1ccccc1 ZINC000105649788 472765193 /nfs/dbraw/zinc/76/51/93/472765193.db2.gz UCPFWQBZZYUQSZ-KRWDZBQOSA-N 0 1 328.412 2.710 20 10 EFCDMN CC[C@H]([NH2+]CC[C@H](O)COC)c1cc(Br)ccc1[O-] ZINC000156985863 472772945 /nfs/dbraw/zinc/77/29/45/472772945.db2.gz KJBKYNWAQMGPNQ-AAEUAGOBSA-N 0 1 332.238 2.593 20 10 EFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1[O-] ZINC000091855913 472816660 /nfs/dbraw/zinc/81/66/60/472816660.db2.gz PEEQKGBBFFHMMT-AAEUAGOBSA-N 0 1 344.820 2.660 20 10 EFCDMN CCn1nc(C)c(CN(C)Cc2ccc(N3CCOCC3)cc2)c1C ZINC000121304014 472832515 /nfs/dbraw/zinc/83/25/15/472832515.db2.gz AIXRENBEQQTYJZ-UHFFFAOYSA-N 0 1 342.487 2.988 20 10 EFCDMN COc1cccc(CNC(=O)NC[C@@H](c2ccsc2)N(C)C)c1O ZINC000073658766 472847809 /nfs/dbraw/zinc/84/78/09/472847809.db2.gz RUBSZUYHEJHAGA-AWEZNQCLSA-N 0 1 349.456 2.564 20 10 EFCDMN O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000121476464 472856912 /nfs/dbraw/zinc/85/69/12/472856912.db2.gz NWICTSYXRNTYIN-CYBMUJFWSA-N 0 1 329.227 2.942 20 10 EFCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000092218192 472877703 /nfs/dbraw/zinc/87/77/03/472877703.db2.gz LXVGVXYSLMZVIE-AWEZNQCLSA-N 0 1 345.270 2.996 20 10 EFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccnc1 ZINC000158029681 472884784 /nfs/dbraw/zinc/88/47/84/472884784.db2.gz FEKPPPJOGRKVIH-INIZCTEOSA-N 0 1 345.830 2.835 20 10 EFCDMN CCOCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000158085247 472891122 /nfs/dbraw/zinc/89/11/22/472891122.db2.gz RZIRIBBGVAXQIN-OAHLLOKOSA-N 0 1 340.851 2.553 20 10 EFCDMN CCOc1cccc(CN2CCN(Cc3cccc(O)c3)CC2)c1O ZINC000092789555 472985265 /nfs/dbraw/zinc/98/52/65/472985265.db2.gz WUPLIYOQBMLMGG-UHFFFAOYSA-N 0 1 342.439 2.814 20 10 EFCDMN CCN(CC)[C@@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccccc1 ZINC000122385640 473008368 /nfs/dbraw/zinc/00/83/68/473008368.db2.gz PNWJRHRMEUHPQX-LJQANCHMSA-N 0 1 342.439 2.840 20 10 EFCDMN Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000093454670 473109889 /nfs/dbraw/zinc/10/98/89/473109889.db2.gz UQEGQWWCPLKODX-INIZCTEOSA-N 0 1 335.835 2.725 20 10 EFCDMN C[C@@H](C(=O)N1CCc2sccc2C1)N(C)Cc1ccccc1O ZINC000109770655 473120009 /nfs/dbraw/zinc/12/00/09/473120009.db2.gz CREYFBDDTAIVNZ-ZDUSSCGKSA-N 0 1 330.453 2.859 20 10 EFCDMN Cc1ccccc1CCNC(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000111236239 473197675 /nfs/dbraw/zinc/19/76/75/473197675.db2.gz BGADNVGAEDBNML-MRXNPFEDSA-N 0 1 326.440 2.880 20 10 EFCDMN COc1ccccc1[C@H](C)NC(=O)CN(C)Cc1ccccc1O ZINC000111236124 473198539 /nfs/dbraw/zinc/19/85/39/473198539.db2.gz DNAHWHYPMRDOIU-AWEZNQCLSA-N 0 1 328.412 2.710 20 10 EFCDMN COc1ncccc1CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000151144002 473415423 /nfs/dbraw/zinc/41/54/23/473415423.db2.gz SJTWXTRMELUKBW-CQSZACIVSA-N 0 1 345.418 2.917 20 10 EFCDMN CC[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1[O-])C(=O)N1CCOCC1 ZINC000185665110 473483610 /nfs/dbraw/zinc/48/36/10/473483610.db2.gz QDRBYWMXNUBDTN-RDTXWAMCSA-N 0 1 342.439 2.833 20 10 EFCDMN C[C@@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185673896 473484947 /nfs/dbraw/zinc/48/49/47/473484947.db2.gz WJLRCCRMGQZNGJ-GMXVVIOVSA-N 0 1 344.249 2.999 20 10 EFCDMN C[C@@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000185672980 473485683 /nfs/dbraw/zinc/48/56/83/473485683.db2.gz CVYSVSYSTVMFTB-GVXVVHGQSA-N 0 1 344.249 2.999 20 10 EFCDMN C[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(Cl)ccc1[O-] ZINC000186082001 473587373 /nfs/dbraw/zinc/58/73/73/473587373.db2.gz WCACEHRCBFYRKM-RISCZKNCSA-N 0 1 348.834 2.625 20 10 EFCDMN C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cc(Br)ccc1[O-] ZINC000186088022 473588469 /nfs/dbraw/zinc/58/84/69/473588469.db2.gz OJKZNLCFNYBYLP-MWLCHTKSSA-N 0 1 339.233 2.569 20 10 EFCDMN C[C@@H]([NH2+]CC1(CO)CCOCC1)c1cc(Br)ccc1[O-] ZINC000186149375 473600605 /nfs/dbraw/zinc/60/06/05/473600605.db2.gz XXEQPNCHJCRFHR-LLVKDONJSA-N 0 1 344.249 2.594 20 10 EFCDMN CC[C@@H]([NH2+]CC1(C)OCCO1)c1cc(Br)ccc1[O-] ZINC000186306896 473643506 /nfs/dbraw/zinc/64/35/06/473643506.db2.gz ORDPVSSTTDOHSS-GFCCVEGCSA-N 0 1 330.222 2.958 20 10 EFCDMN CCN(CC)c1ccc(CNC(=O)CCCCc2cn[nH]n2)cc1 ZINC000186409755 473670561 /nfs/dbraw/zinc/67/05/61/473670561.db2.gz KKUVWSDRUWCMQA-UHFFFAOYSA-N 0 1 329.448 2.680 20 10 EFCDMN COc1cc(Br)cc(CN2CCCO[C@@H](C)C2)c1O ZINC000179394808 473683796 /nfs/dbraw/zinc/68/37/96/473683796.db2.gz VBRMFIRDUMQRIW-JTQLQIEISA-N 0 1 330.222 2.774 20 10 EFCDMN COc1cccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1O ZINC000179534824 473693714 /nfs/dbraw/zinc/69/37/14/473693714.db2.gz JSIXKRHASUMKRM-UHFFFAOYSA-N 0 1 343.383 2.631 20 10 EFCDMN CN(CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccccc1O ZINC000179563750 473694667 /nfs/dbraw/zinc/69/46/67/473694667.db2.gz PAGKOLCFTDNXCM-UHFFFAOYSA-N 0 1 349.452 2.697 20 10 EFCDMN O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000179565505 473694908 /nfs/dbraw/zinc/69/49/08/473694908.db2.gz DUGUBTZJZOKJMD-MRXNPFEDSA-N 0 1 329.375 2.927 20 10 EFCDMN O=C(c1ccccc1O)N1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000179764605 473721910 /nfs/dbraw/zinc/72/19/10/473721910.db2.gz VXSZQGZUTRPWKD-UHFFFAOYSA-N 0 1 346.814 2.709 20 10 EFCDMN COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000179886954 473749343 /nfs/dbraw/zinc/74/93/43/473749343.db2.gz QHUXFEOMWWUSOG-LBPRGKRZSA-N 0 1 328.206 2.682 20 10 EFCDMN CC[C@@H]([NH2+][C@H](C)CN1CCN(C)CC1)c1cccc(Cl)c1[O-] ZINC000287731534 473746528 /nfs/dbraw/zinc/74/65/28/473746528.db2.gz PDKQSEOFXURHFV-CZUORRHYSA-N 0 1 325.884 2.722 20 10 EFCDMN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000179886954 473749335 /nfs/dbraw/zinc/74/93/35/473749335.db2.gz QHUXFEOMWWUSOG-LBPRGKRZSA-N 0 1 328.206 2.682 20 10 EFCDMN CC[C@@H]([NH2+][C@@H](CO)CCOC)c1cc(Br)ccc1[O-] ZINC000281547312 473759560 /nfs/dbraw/zinc/75/95/60/473759560.db2.gz IYQFSDKKLKEAHD-DGCLKSJQSA-N 0 1 332.238 2.593 20 10 EFCDMN CCN1CCN(c2ccc(CNc3ncc(F)cn3)cc2F)CC1 ZINC000269438659 473811334 /nfs/dbraw/zinc/81/13/34/473811334.db2.gz AOUNSIAAFSNEHE-UHFFFAOYSA-N 0 1 333.386 2.509 20 10 EFCDMN [O-]c1c(F)cccc1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000281896784 473876641 /nfs/dbraw/zinc/87/66/41/473876641.db2.gz WUGJBSYNWUTZBE-MOPGFXCFSA-N 0 1 342.414 2.617 20 10 EFCDMN C[C@H]1CCCN(c2ccc(CNC(=O)c3cnn[nH]3)cc2Cl)C1 ZINC000282255991 474000173 /nfs/dbraw/zinc/00/01/73/474000173.db2.gz ORNRUPQMKGURTR-NSHDSACASA-N 0 1 333.823 2.624 20 10 EFCDMN C[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(Br)cc1[O-] ZINC000282357511 474036700 /nfs/dbraw/zinc/03/67/00/474036700.db2.gz PNNOWSSGBLHJDB-DYBLOJMWSA-N 0 1 332.263 2.716 20 10 EFCDMN CCN1CCN(c2ccc(CNc3ncc(C)cn3)cc2F)CC1 ZINC000270298813 474063068 /nfs/dbraw/zinc/06/30/68/474063068.db2.gz PSHNPYOJQFILRV-UHFFFAOYSA-N 0 1 329.423 2.678 20 10 EFCDMN CCCCN(Cc1ccccc1O)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000282475399 474079463 /nfs/dbraw/zinc/07/94/63/474079463.db2.gz LATOCESKBHRZKU-UHFFFAOYSA-N 0 1 332.360 2.774 20 10 EFCDMN CCCCN(Cc1ccccc1O)C(=O)CSc1nnc(C)[nH]1 ZINC000282587542 474120971 /nfs/dbraw/zinc/12/09/71/474120971.db2.gz WPBPVHGYWQQXBS-UHFFFAOYSA-N 0 1 334.445 2.740 20 10 EFCDMN CCCCN(Cc1ccccc1O)C(=O)CSc1nc(C)n[nH]1 ZINC000282587542 474120977 /nfs/dbraw/zinc/12/09/77/474120977.db2.gz WPBPVHGYWQQXBS-UHFFFAOYSA-N 0 1 334.445 2.740 20 10 EFCDMN CS(=O)(=O)[C@@H]1CCN(Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000282823996 474207437 /nfs/dbraw/zinc/20/74/37/474207437.db2.gz UIJRNQVOSRRHAR-QGZVFWFLSA-N 0 1 331.437 2.678 20 10 EFCDMN CC[C@H]([NH2+][C@H](C)C(=O)NCCF)c1cc(Br)ccc1[O-] ZINC000282896177 474233440 /nfs/dbraw/zinc/23/34/40/474233440.db2.gz WNJVSTRASBWVMD-SKDRFNHKSA-N 0 1 347.228 2.670 20 10 EFCDMN CC[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1cc(Br)ccc1[O-] ZINC000282896175 474233728 /nfs/dbraw/zinc/23/37/28/474233728.db2.gz WNJVSTRASBWVMD-JOYOIKCWSA-N 0 1 347.228 2.670 20 10 EFCDMN CC[C@H]([NH2+][C@@H](C)C(=O)NCCF)c1cc(Br)ccc1[O-] ZINC000282896174 474234746 /nfs/dbraw/zinc/23/47/46/474234746.db2.gz WNJVSTRASBWVMD-CABZTGNLSA-N 0 1 347.228 2.670 20 10 EFCDMN C[C@@H]1CN(Cc2c(O)ccc3ccccc32)CC[N@H+]1CC(C)(C)O ZINC000188966499 474248614 /nfs/dbraw/zinc/24/86/14/474248614.db2.gz UFVCIRHIEJCDTH-OAHLLOKOSA-N 0 1 328.456 2.822 20 10 EFCDMN CCN1CCN(c2ccc(CNc3nccc(C)n3)cc2F)CC1 ZINC000265586778 474261289 /nfs/dbraw/zinc/26/12/89/474261289.db2.gz XOSQVJIRTDCBQQ-UHFFFAOYSA-N 0 1 329.423 2.678 20 10 EFCDMN COc1c([O-])c(C[N@@H+]2CCC=C(c3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000289529533 474310143 /nfs/dbraw/zinc/31/01/43/474310143.db2.gz HNTABRRLJBDKQM-UHFFFAOYSA-N 0 1 341.367 2.993 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CCC=C(c3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000289529533 474310153 /nfs/dbraw/zinc/31/01/53/474310153.db2.gz HNTABRRLJBDKQM-UHFFFAOYSA-N 0 1 341.367 2.993 20 10 EFCDMN CC[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])[C@@H](O)C(F)(F)F ZINC000270998347 474360275 /nfs/dbraw/zinc/36/02/75/474360275.db2.gz PPFOIBRGDHVGTC-MWLCHTKSSA-N 0 1 342.155 2.946 20 10 EFCDMN Cc1cc(C(=O)NCCN2CCCOCC2)c(C)n1-c1ccccc1 ZINC000189353816 474369851 /nfs/dbraw/zinc/36/98/51/474369851.db2.gz UYMVVYYRXDROJG-UHFFFAOYSA-N 0 1 341.455 2.546 20 10 EFCDMN COC(=O)c1cc(CN(C)Cc2cc(OC)c(OC)cc2O)oc1C ZINC000271116674 474403281 /nfs/dbraw/zinc/40/32/81/474403281.db2.gz WKHUNRMKGRQKSP-UHFFFAOYSA-N 0 1 349.383 2.729 20 10 EFCDMN COc1cc(N2CCN([C@H]3C=CCCC3)CC2)cc(OC)c1OC ZINC000183700250 474415973 /nfs/dbraw/zinc/41/59/73/474415973.db2.gz WYTRAPIGVPCDHL-HNNXBMFYSA-N 0 1 332.444 2.943 20 10 EFCDMN C[C@](O)(C[NH2+]Cc1cc(Br)ccc1[O-])c1ccco1 ZINC000266157112 474421119 /nfs/dbraw/zinc/42/11/19/474421119.db2.gz MJOQOXRLJHVRQX-AWEZNQCLSA-N 0 1 326.190 2.745 20 10 EFCDMN CCOc1ccc(O)c(CN2CCN(c3ncc(C)s3)CC2)c1 ZINC000271195607 474434290 /nfs/dbraw/zinc/43/42/90/474434290.db2.gz NRTXZYYAYPYNAN-UHFFFAOYSA-N 0 1 333.457 2.878 20 10 EFCDMN CN(C)c1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1F ZINC000289821475 474442427 /nfs/dbraw/zinc/44/24/27/474442427.db2.gz TYBCTVFKURGZKW-CHWSQXEVSA-N 0 1 334.357 2.884 20 10 EFCDMN Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000271276122 474471329 /nfs/dbraw/zinc/47/13/29/474471329.db2.gz KYSTYXVQLNKAMJ-LRDDRELGSA-N 0 1 335.835 2.725 20 10 EFCDMN Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000271276122 474471333 /nfs/dbraw/zinc/47/13/33/474471333.db2.gz KYSTYXVQLNKAMJ-LRDDRELGSA-N 0 1 335.835 2.725 20 10 EFCDMN Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000271276119 474471469 /nfs/dbraw/zinc/47/14/69/474471469.db2.gz KYSTYXVQLNKAMJ-BLLLJJGKSA-N 0 1 335.835 2.725 20 10 EFCDMN Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000271276119 474471480 /nfs/dbraw/zinc/47/14/80/474471480.db2.gz KYSTYXVQLNKAMJ-BLLLJJGKSA-N 0 1 335.835 2.725 20 10 EFCDMN COc1c([O-])c(C[NH2+][C@@H]2c3ccccc3O[C@@H]2C)ccc1[N+](=O)[O-] ZINC000289985830 474515304 /nfs/dbraw/zinc/51/53/04/474515304.db2.gz BWOYUSNPQQYFGB-BMIGLBTASA-N 0 1 330.340 2.921 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CCCCC[C@H]2C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000289987219 474517377 /nfs/dbraw/zinc/51/73/77/474517377.db2.gz ZZTWCBJUZKUJHN-OCCSQVGLSA-N 0 1 338.404 2.825 20 10 EFCDMN COC(=O)C[C@@](C)(NCc1ccc(N(C)C)c(F)c1)c1ccncc1 ZINC000276469017 474556263 /nfs/dbraw/zinc/55/62/63/474556263.db2.gz MKLRIJLBQRVBMM-LJQANCHMSA-N 0 1 345.418 2.855 20 10 EFCDMN COc1c([O-])c(C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)ccc1[N+](=O)[O-] ZINC000290377338 474569333 /nfs/dbraw/zinc/56/93/33/474569333.db2.gz HWSDZFVQSHOMIS-CYBMUJFWSA-N 0 1 346.387 2.986 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)ccc1[N+](=O)[O-] ZINC000290377338 474569339 /nfs/dbraw/zinc/56/93/39/474569339.db2.gz HWSDZFVQSHOMIS-CYBMUJFWSA-N 0 1 346.387 2.986 20 10 EFCDMN Cc1nccn1CCC[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000290379504 474569818 /nfs/dbraw/zinc/56/98/18/474569818.db2.gz HZMFDVVSOANFLM-UHFFFAOYSA-N 0 1 338.795 2.981 20 10 EFCDMN COc1c([O-])c(C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)ccc1[N+](=O)[O-] ZINC000290377341 474570131 /nfs/dbraw/zinc/57/01/31/474570131.db2.gz HWSDZFVQSHOMIS-ZDUSSCGKSA-N 0 1 346.387 2.986 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)ccc1[N+](=O)[O-] ZINC000290377341 474570138 /nfs/dbraw/zinc/57/01/38/474570138.db2.gz HWSDZFVQSHOMIS-ZDUSSCGKSA-N 0 1 346.387 2.986 20 10 EFCDMN O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1c(F)ccc(O)c1[O-] ZINC000276769544 474571421 /nfs/dbraw/zinc/57/14/21/474571421.db2.gz YDGCCZPJWPWKBG-OAHLLOKOSA-N 0 1 344.386 2.804 20 10 EFCDMN CCN1CCN(c2ccc(CNc3nccnc3C)cc2F)CC1 ZINC000290544235 474577529 /nfs/dbraw/zinc/57/75/29/474577529.db2.gz ISRDMYGFMLHEMS-UHFFFAOYSA-N 0 1 329.423 2.678 20 10 EFCDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCc2ccc(N(C)C)cc2)n[nH]1 ZINC000277131714 474578166 /nfs/dbraw/zinc/57/81/66/474578166.db2.gz CQDQKXCCAXADLH-QWHCGFSZSA-N 0 1 344.463 2.945 20 10 EFCDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCc2ccc(N(C)C)cc2)n[nH]1 ZINC000277131711 474578842 /nfs/dbraw/zinc/57/88/42/474578842.db2.gz CQDQKXCCAXADLH-OLZOCXBDSA-N 0 1 344.463 2.945 20 10 EFCDMN Cc1ccc(O)c(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000190322409 474579430 /nfs/dbraw/zinc/57/94/30/474579430.db2.gz MUVUNEQVAFZASK-NRFANRHFSA-N 0 1 340.467 2.769 20 10 EFCDMN Cc1ccc(O)c(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000190322409 474579440 /nfs/dbraw/zinc/57/94/40/474579440.db2.gz MUVUNEQVAFZASK-NRFANRHFSA-N 0 1 340.467 2.769 20 10 EFCDMN CCOC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184669832 474580037 /nfs/dbraw/zinc/58/00/37/474580037.db2.gz UQWBVFWXSWUODN-NSHDSACASA-N 0 1 327.808 2.829 20 10 EFCDMN CCc1nc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n[nH]1 ZINC000271532835 474581134 /nfs/dbraw/zinc/58/11/34/474581134.db2.gz PVPGXSLSQZCJKG-UONOGXRCSA-N 0 1 329.448 2.616 20 10 EFCDMN CC[C@@H](C(=O)NCc1cccc(Br)c1[O-])[NH+](CC)CC ZINC000277459536 474586285 /nfs/dbraw/zinc/58/62/85/474586285.db2.gz GURBEEWRPZXVQY-ZDUSSCGKSA-N 0 1 343.265 2.891 20 10 EFCDMN Cc1n[nH]c(CCNC(=O)c2cc(C)n(-c3ccccc3C)c2C)n1 ZINC000267094452 474588879 /nfs/dbraw/zinc/58/88/79/474588879.db2.gz MMSAGNRYJMNDFK-UHFFFAOYSA-N 0 1 337.427 2.802 20 10 EFCDMN CC[N@H+](CCc1ccnn1C)Cc1cc(Br)ccc1[O-] ZINC000284211236 474596048 /nfs/dbraw/zinc/59/60/48/474596048.db2.gz AJINFEFSCOWEER-UHFFFAOYSA-N 0 1 338.249 2.953 20 10 EFCDMN CC[N@@H+](CCc1ccnn1C)Cc1cc(Br)ccc1[O-] ZINC000284211236 474596052 /nfs/dbraw/zinc/59/60/52/474596052.db2.gz AJINFEFSCOWEER-UHFFFAOYSA-N 0 1 338.249 2.953 20 10 EFCDMN COc1ccc(N2CCN([C@H]3Cc4ccccc4[C@H]3O)CC2)cc1F ZINC000271881797 474596665 /nfs/dbraw/zinc/59/66/65/474596665.db2.gz CEJCZSDIQCTTMZ-AZUAARDMSA-N 0 1 342.414 2.615 20 10 EFCDMN CCCOc1ccc(CN2CCN(c3ccnc(C)n3)CC2)c(O)c1 ZINC000184762517 474602563 /nfs/dbraw/zinc/60/25/63/474602563.db2.gz WMFBTBPIRABLKG-UHFFFAOYSA-N 0 1 342.443 2.602 20 10 EFCDMN COC(=O)c1coc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000278341104 474615277 /nfs/dbraw/zinc/61/52/77/474615277.db2.gz XLHHFHZDSKJOFW-CQSZACIVSA-N 0 1 344.411 2.754 20 10 EFCDMN CCc1noc(CC)c1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278493289 474659708 /nfs/dbraw/zinc/65/97/08/474659708.db2.gz LXHCBEMIIAGUDI-UHFFFAOYSA-N 0 1 335.360 2.712 20 10 EFCDMN COc1ccc(O)c([C@H](C)NCc2cc(C)nc(N3CCCC3)n2)c1 ZINC000293335906 474933593 /nfs/dbraw/zinc/93/35/93/474933593.db2.gz GGEIJRJBGCDSQV-AWEZNQCLSA-N 0 1 342.443 2.950 20 10 EFCDMN COC[C@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@@H]1CCCO1 ZINC000279122481 474961248 /nfs/dbraw/zinc/96/12/48/474961248.db2.gz UYEHLDMXSGULNY-GJZGRUSLSA-N 0 1 327.808 2.532 20 10 EFCDMN C[C@@H](N[C@@H](C)c1cc(Br)ccc1O)c1nncn1C ZINC000273614682 474990729 /nfs/dbraw/zinc/99/07/29/474990729.db2.gz WZWRDVAEBKIUOB-DTWKUNHWSA-N 0 1 325.210 2.695 20 10 EFCDMN CN(C)c1ccc(CNC(=O)C[N@H+]2CCSC(C)(C)CC2)cc1 ZINC000279781543 474992029 /nfs/dbraw/zinc/99/20/29/474992029.db2.gz UMQNLUVUKOYELV-UHFFFAOYSA-N 0 1 335.517 2.586 20 10 EFCDMN CN(C)c1ccc(CNC(=O)CN2CCSC(C)(C)CC2)cc1 ZINC000279781543 474992037 /nfs/dbraw/zinc/99/20/37/474992037.db2.gz UMQNLUVUKOYELV-UHFFFAOYSA-N 0 1 335.517 2.586 20 10 EFCDMN CCCCOC[C@@H](O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000279982557 475003006 /nfs/dbraw/zinc/00/30/06/475003006.db2.gz JVBUBPOYGXHWGX-ZWKOTPCHSA-N 0 1 337.460 2.551 20 10 EFCDMN CC(=O)c1cc(F)cc(CN(C)[C@@H](CC(N)=O)c2ccccc2)c1O ZINC000280329986 475020504 /nfs/dbraw/zinc/02/05/04/475020504.db2.gz HPHHCDXIDOAXGS-KRWDZBQOSA-N 0 1 344.386 2.782 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H](CC(N)=O)c2ccccc2)c1[O-] ZINC000280329986 475020511 /nfs/dbraw/zinc/02/05/11/475020511.db2.gz HPHHCDXIDOAXGS-KRWDZBQOSA-N 0 1 344.386 2.782 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H](CC(N)=O)c2ccccc2)c1[O-] ZINC000280329986 475020521 /nfs/dbraw/zinc/02/05/21/475020521.db2.gz HPHHCDXIDOAXGS-KRWDZBQOSA-N 0 1 344.386 2.782 20 10 EFCDMN COc1cc(Cl)cc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)c1O ZINC000273734743 475034215 /nfs/dbraw/zinc/03/42/15/475034215.db2.gz KZNRVPAEQUEVRK-GWCFXTLKSA-N 0 1 339.741 2.942 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)c3[nH]ccc3C)cc2F)CC1 ZINC000280585463 475037467 /nfs/dbraw/zinc/03/74/67/475037467.db2.gz HYAYVRDULJQXHO-UHFFFAOYSA-N 0 1 344.434 2.534 20 10 EFCDMN CC1CCN(CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000268652013 475038100 /nfs/dbraw/zinc/03/81/00/475038100.db2.gz RQUYWULMUOAKEJ-SFHVURJKSA-N 0 1 346.471 2.632 20 10 EFCDMN COCc1ccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)o1 ZINC000268783856 475042214 /nfs/dbraw/zinc/04/22/14/475042214.db2.gz JMEQWJMDSQIJLJ-UHFFFAOYSA-N 0 1 348.418 2.816 20 10 EFCDMN C[C@@H]([NH2+]CC(C)(C)OCCO)c1cc(Br)ccc1[O-] ZINC000287242611 475100318 /nfs/dbraw/zinc/10/03/18/475100318.db2.gz HITSLYPJLCHVJT-SNVBAGLBSA-N 0 1 332.238 2.593 20 10 EFCDMN COC1CCN(c2ccc(CN(C)[C@H](C)C[S@](C)=O)cc2)CC1 ZINC000294868156 475088605 /nfs/dbraw/zinc/08/86/05/475088605.db2.gz AUXRXOFPKSAODY-CMJOXMDJSA-N 0 1 338.517 2.501 20 10 EFCDMN CCN(C)C(=O)[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])C(C)C ZINC000295106048 475104123 /nfs/dbraw/zinc/10/41/23/475104123.db2.gz UHTWHJOHJRLFDP-AWEZNQCLSA-N 0 1 343.265 2.747 20 10 EFCDMN C[C@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C[N@@H+]1Cc1ccccc1 ZINC000295164201 475110130 /nfs/dbraw/zinc/11/01/30/475110130.db2.gz QWKIQPUWHNRRSW-GXTWGEPZSA-N 0 1 344.386 2.630 20 10 EFCDMN C[C@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C[N@H+]1Cc1ccccc1 ZINC000295164201 475110133 /nfs/dbraw/zinc/11/01/33/475110133.db2.gz QWKIQPUWHNRRSW-GXTWGEPZSA-N 0 1 344.386 2.630 20 10 EFCDMN CC(=O)c1cc(F)cc(C[NH2+]C2(C(=O)N(C)C)CCCCC2)c1[O-] ZINC000295194438 475111352 /nfs/dbraw/zinc/11/13/52/475111352.db2.gz UGLBQCHDIQFKOR-UHFFFAOYSA-N 0 1 336.407 2.615 20 10 EFCDMN C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000295695594 475131872 /nfs/dbraw/zinc/13/18/72/475131872.db2.gz PCJMFGUBOJYYAI-VXGBXAGGSA-N 0 1 336.407 2.620 20 10 EFCDMN C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000295695594 475131883 /nfs/dbraw/zinc/13/18/83/475131883.db2.gz PCJMFGUBOJYYAI-VXGBXAGGSA-N 0 1 336.407 2.620 20 10 EFCDMN Cc1cccc(C[N@@H+]2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)c1O ZINC000292744111 475179582 /nfs/dbraw/zinc/17/95/82/475179582.db2.gz HUIFEQQPRFXOAZ-DGCLKSJQSA-N 0 1 330.350 2.732 20 10 EFCDMN CCCCN(Cc1ccc(N(C)C)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000292774400 475191323 /nfs/dbraw/zinc/19/13/23/475191323.db2.gz JYGOGRIOCAMBCG-KRWDZBQOSA-N 0 1 338.517 2.850 20 10 EFCDMN CC[C@@H]([NH2+]C[C@@H](C)CN1CCN(C)CC1)c1cccc(Cl)c1[O-] ZINC000287572432 475200410 /nfs/dbraw/zinc/20/04/10/475200410.db2.gz GWQUXZRHCNYWNB-RHSMWYFYSA-N 0 1 339.911 2.970 20 10 EFCDMN Cc1c2ccccc2n(C)c1CNC(=O)CN(C)[C@H]1CCSC1 ZINC000348634982 475790171 /nfs/dbraw/zinc/79/01/71/475790171.db2.gz KNCJGQXFWVDABY-AWEZNQCLSA-N 0 1 331.485 2.540 20 10 EFCDMN Cc1c2ccccc2n(C)c1CNC(=O)N1CCN(C2CCC2)CC1 ZINC000350090967 476044185 /nfs/dbraw/zinc/04/41/85/476044185.db2.gz IAGLCRKQPZMOHO-UHFFFAOYSA-N 0 1 340.471 2.866 20 10 EFCDMN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H](c3ccco3)C2)cc1 ZINC000374007868 476447309 /nfs/dbraw/zinc/44/73/09/476447309.db2.gz LKGHYYRJVVQGMI-KRWDZBQOSA-N 0 1 341.455 2.794 20 10 EFCDMN CN(C)c1ccc(CN[C@]2(CO)CCOc3ccccc32)cc1F ZINC000374150302 476456654 /nfs/dbraw/zinc/45/66/54/476456654.db2.gz XJSYRPGTHBOLLV-IBGZPJMESA-N 0 1 330.403 2.652 20 10 EFCDMN Cc1c2ccccc2n(C)c1CNC(=O)NCCN1CC=CCC1 ZINC000354408942 476643591 /nfs/dbraw/zinc/64/35/91/476643591.db2.gz NVMXIRUAFVAILB-UHFFFAOYSA-N 0 1 326.444 2.548 20 10 EFCDMN Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2cccc(Cl)c2[O-])cn1 ZINC000378441580 476708412 /nfs/dbraw/zinc/70/84/12/476708412.db2.gz JHXOIAHDODJDOR-GDBMZVCRSA-N 0 1 335.835 2.867 20 10 EFCDMN COc1c([O-])c(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000370528729 476856558 /nfs/dbraw/zinc/85/65/58/476856558.db2.gz PSYPPUWXHDVFDA-HNNXBMFYSA-N 0 1 344.367 2.962 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CC[C@H](Oc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000370528729 476856567 /nfs/dbraw/zinc/85/65/67/476856567.db2.gz PSYPPUWXHDVFDA-HNNXBMFYSA-N 0 1 344.367 2.962 20 10 EFCDMN COc1ccc(N2CCCN(Cc3ccc(OC)cn3)CC2)cc1 ZINC000371429567 477314226 /nfs/dbraw/zinc/31/42/26/477314226.db2.gz FFTZZTWQVROVCA-UHFFFAOYSA-N 0 1 327.428 2.811 20 10 EFCDMN O=C1NCCN(Cc2cccc(Cl)c2O)[C@H]1c1ccccc1F ZINC000371804368 477503310 /nfs/dbraw/zinc/50/33/10/477503310.db2.gz WWMVGTYDPPEVIJ-HNNXBMFYSA-N 0 1 334.778 2.858 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](c3ccnn3C)C2)c1[O-] ZINC000372679345 477809326 /nfs/dbraw/zinc/80/93/26/477809326.db2.gz BSQMKDRSRSBPNN-ZDUSSCGKSA-N 0 1 331.391 2.847 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)c1[O-] ZINC000372679345 477809331 /nfs/dbraw/zinc/80/93/31/477809331.db2.gz BSQMKDRSRSBPNN-ZDUSSCGKSA-N 0 1 331.391 2.847 20 10 EFCDMN Cc1c2ccccc2n(C)c1CNC(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000472235092 478011975 /nfs/dbraw/zinc/01/19/75/478011975.db2.gz VFCKQBWWZABRFQ-LJQANCHMSA-N 0 1 342.487 2.968 20 10 EFCDMN COc1ccc(O)c(CNCc2csc(-c3cnn(C)c3)n2)c1 ZINC000527659967 478466044 /nfs/dbraw/zinc/46/60/44/478466044.db2.gz NKWXORQZSXMWKB-UHFFFAOYSA-N 0 1 330.413 2.548 20 10 EFCDMN COc1ccc(N2CCN(Cc3cccc(NC(C)=O)c3)CC2)cc1 ZINC000170643068 534012685 /nfs/dbraw/zinc/01/26/85/534012685.db2.gz WMASBSVRFSJRBR-UHFFFAOYSA-N 0 1 339.439 2.976 20 10 EFCDMN CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1cc(Br)ccc1[O-] ZINC000036794312 522907581 /nfs/dbraw/zinc/90/75/81/522907581.db2.gz AHKAGAAMLOZJEJ-JOYOIKCWSA-N 0 1 329.238 2.672 20 10 EFCDMN Cc1ncc([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c(C)n1 ZINC000165179392 534751359 /nfs/dbraw/zinc/75/13/59/534751359.db2.gz HQMOTRMTSBUFLV-CYBMUJFWSA-N 0 1 344.434 2.920 20 10 EFCDMN CCN(CC)c1ccc(CNC(=O)CCCCc2cn[nH]n2)cc1F ZINC000157860380 528299541 /nfs/dbraw/zinc/29/95/41/528299541.db2.gz OKJDEQTUBDMONM-UHFFFAOYSA-N 0 1 347.438 2.819 20 10 EFCDMN CC[C@@H]([NH2+][C@H](CCO)COC)c1cc(Br)ccc1[O-] ZINC000229556231 535808798 /nfs/dbraw/zinc/80/87/98/535808798.db2.gz UKBVNQOCVRSGAX-DGCLKSJQSA-N 0 1 332.238 2.593 20 10 EFCDMN COC1CCN(c2ccc(CN3CCOC[C@H]3C3CC3)cc2)CC1 ZINC000296240911 536756599 /nfs/dbraw/zinc/75/65/99/536756599.db2.gz IEFVSTWRTQCBQV-FQEVSTJZSA-N 0 1 330.472 2.913 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CC[C@H](C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000365799828 536861776 /nfs/dbraw/zinc/86/17/76/536861776.db2.gz XTRRORLICXNPJC-ZDUSSCGKSA-N 0 1 336.388 2.558 20 10 EFCDMN COc1cc(CN2CCC[C@H]2C(=O)NC2CC2)c(O)c(C(C)(C)C)c1 ZINC000754719861 575476980 /nfs/dbraw/zinc/47/69/80/575476980.db2.gz JFQHALJHEGZMIS-KRWDZBQOSA-N 0 1 346.471 2.941 20 10 EFCDMN Cc1cc(C)c(O)c(CN(C)[C@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000754726655 575478421 /nfs/dbraw/zinc/47/84/21/575478421.db2.gz UDPAGTWARACAJT-ZDUSSCGKSA-N 0 1 330.350 2.604 20 10 EFCDMN Cc1nc(CC[NH2+]Cc2c(O)ccc(Cl)c2F)sc1C(=O)[O-] ZINC000756303646 575714001 /nfs/dbraw/zinc/71/40/01/575714001.db2.gz XIRRGQGEGSHVRZ-UHFFFAOYSA-N 0 1 344.795 2.980 20 10 EFCDMN CN1CCN(c2ccc(C[NH2+]CCC(C)(C)CCC(=O)[O-])cc2)CC1 ZINC000756307344 575714793 /nfs/dbraw/zinc/71/47/93/575714793.db2.gz FYFQBEOIIWLBLJ-UHFFFAOYSA-N 0 1 347.503 2.809 20 10 EFCDMN CC[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccn(C)n1 ZINC000756456483 575742275 /nfs/dbraw/zinc/74/22/75/575742275.db2.gz HKDFYVOXSKXGQZ-IBGZPJMESA-N 0 1 342.487 2.870 20 10 EFCDMN C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1cc(Br)ccc1[O-] ZINC000756533046 575756234 /nfs/dbraw/zinc/75/62/34/575756234.db2.gz HNYJTIQITCEFIR-RYUDHWBXSA-N 0 1 343.265 2.526 20 10 EFCDMN C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756587043 575765734 /nfs/dbraw/zinc/76/57/34/575765734.db2.gz YJCLEEFSTYCNJA-CHWSQXEVSA-N 0 1 340.414 2.822 20 10 EFCDMN C[C@@H]([NH2+]CCNc1cnccn1)c1ccc(Br)cc1[O-] ZINC000756647389 575772150 /nfs/dbraw/zinc/77/21/50/575772150.db2.gz UAIPJYQJMUUIIF-SNVBAGLBSA-N 0 1 337.221 2.707 20 10 EFCDMN C[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1cc(Br)ccc1[O-] ZINC000756761894 575784800 /nfs/dbraw/zinc/78/48/00/575784800.db2.gz VOCHXMDITQXXFM-ZIBATOQPSA-N 0 1 343.265 2.524 20 10 EFCDMN C[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cc(Cl)ccc1[O-] ZINC000756837959 575790538 /nfs/dbraw/zinc/79/05/38/575790538.db2.gz KHVIEAGBDCBFPC-JRPNMDOOSA-N 0 1 348.834 2.624 20 10 EFCDMN C[C@@H]([NH2+]C1COC(C)(C)OC1)c1cc(Br)ccc1[O-] ZINC000757698819 575850377 /nfs/dbraw/zinc/85/03/77/575850377.db2.gz SVBAIMPURCVQQT-SECBINFHSA-N 0 1 330.222 2.957 20 10 EFCDMN COc1ccc(N2CCN(CCCNC(=O)CC3(C)CC3)CC2)cc1 ZINC000757872959 575854952 /nfs/dbraw/zinc/85/49/52/575854952.db2.gz FHHRLVRNZBTBJN-UHFFFAOYSA-N 0 1 345.487 2.514 20 10 EFCDMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cnc(C2CCC2)s1 ZINC000760264124 575997098 /nfs/dbraw/zinc/99/70/98/575997098.db2.gz JUQSAQITMSAKAM-NTEUORMPSA-N 0 1 325.393 2.872 20 10 EFCDMN [O-]c1ccc2ccncc2c1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000760286142 575999819 /nfs/dbraw/zinc/99/98/19/575999819.db2.gz WZCLPBQOSCLMNJ-UHFFFAOYSA-N 0 1 326.318 2.830 20 10 EFCDMN COc1ccc(O)c([C@@H](C)NCc2nc3ccc(OC)nc3[nH]2)c1 ZINC000760866895 576082800 /nfs/dbraw/zinc/08/28/00/576082800.db2.gz BDXVXUGZXJFWNK-SNVBAGLBSA-N 0 1 328.372 2.532 20 10 EFCDMN COc1cc(Cl)cc(C[N@H+](C)C2CCC(NC(C)=O)CC2)c1[O-] ZINC000761216993 576131130 /nfs/dbraw/zinc/13/11/30/576131130.db2.gz TYTUSAORMVXDGF-UHFFFAOYSA-N 0 1 340.851 2.933 20 10 EFCDMN COc1cc(Cl)cc(C[N@@H+](C)C2CCC(NC(C)=O)CC2)c1[O-] ZINC000761216993 576131132 /nfs/dbraw/zinc/13/11/32/576131132.db2.gz TYTUSAORMVXDGF-UHFFFAOYSA-N 0 1 340.851 2.933 20 10 EFCDMN Fc1cc(CN2CCOCC3(CCC3)C2)ccc1N1CCOCC1 ZINC000761225830 576132664 /nfs/dbraw/zinc/13/26/64/576132664.db2.gz MAWMWXRIZQOHHG-UHFFFAOYSA-N 0 1 334.435 2.665 20 10 EFCDMN COc1cc(O)c(CNCc2nn(C)c3ccccc23)cc1OC ZINC000761226536 576132783 /nfs/dbraw/zinc/13/27/83/576132783.db2.gz REUKERMKEZAJKL-UHFFFAOYSA-N 0 1 327.384 2.586 20 10 EFCDMN CCc1cc(O)ccc1NS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000761978157 576236492 /nfs/dbraw/zinc/23/64/92/576236492.db2.gz YZOXRMCOKVPFKA-UHFFFAOYSA-N 0 1 330.768 2.943 20 10 EFCDMN COc1ccc2oc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2c1 ZINC000763288877 576371246 /nfs/dbraw/zinc/37/12/46/576371246.db2.gz CHQPKXJUYMKWOT-LFIBNONCSA-N 0 1 334.331 2.903 20 10 EFCDMN CO[C@@]1(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])CCOC1 ZINC000763573232 576381561 /nfs/dbraw/zinc/38/15/61/576381561.db2.gz QVVBOQPRASDKKI-QMTHXVAHSA-N 0 1 330.222 2.611 20 10 EFCDMN Cc1ccnc(N2CC[NH+](Cc3c([O-])ccc4ccncc43)CC2)c1 ZINC000765139486 577011435 /nfs/dbraw/zinc/01/14/35/577011435.db2.gz BDWIMDJNKNPMGX-UHFFFAOYSA-N 0 1 334.423 2.966 20 10 EFCDMN C[C@@H](NCc1cnn(C)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000765289623 577027766 /nfs/dbraw/zinc/02/77/66/577027766.db2.gz CCXGKQRXKUSJFI-CYBMUJFWSA-N 0 1 334.851 2.761 20 10 EFCDMN CCN1C[C@H](C)N(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1C ZINC000765660975 577063898 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2.752 20 10 EFCDMN Cc1ccc(CN2CCC[C@]23CCN(CC(F)(F)F)C3=O)c(O)c1 ZINC001272767029 1257724774 /nfs/dbraw/zinc/72/47/74/1257724774.db2.gz WOHOOYYPIYVQHE-MRXNPFEDSA-N 0 1 342.361 2.830 20 10 EFCDMN COC(=O)COc1ccccc1CNCc1ccc(N(C)C)c(F)c1 ZINC000921622500 1257770140 /nfs/dbraw/zinc/77/01/40/1257770140.db2.gz DWENKTMZYUIPMY-UHFFFAOYSA-N 0 1 346.402 2.733 20 10 EFCDMN CC(C)C[N@@H+](CC(N)=O)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708147378 1259678777 /nfs/dbraw/zinc/67/87/77/1259678777.db2.gz ZSKYDCGXJRGVNM-UHFFFAOYSA-N 0 1 349.656 2.751 20 10 EFCDMN Cc1nc(CC[NH2+]Cc2cc(Cl)cc(Br)c2[O-])n[nH]1 ZINC000708176803 1259688354 /nfs/dbraw/zinc/68/83/54/1259688354.db2.gz HNHSCTLWMKNGJK-UHFFFAOYSA-N 0 1 345.628 2.567 20 10 EFCDMN Cc1nnc(CC[NH2+]Cc2cc(Cl)cc(Br)c2[O-])[nH]1 ZINC000708176803 1259688363 /nfs/dbraw/zinc/68/83/63/1259688363.db2.gz HNHSCTLWMKNGJK-UHFFFAOYSA-N 0 1 345.628 2.567 20 10 EFCDMN CC1CCN(c2ccc(CNCc3cnc4n3CCOC4)cc2)CC1 ZINC000921714027 1261258748 /nfs/dbraw/zinc/25/87/48/1261258748.db2.gz CRYMDHFZKYBKCX-UHFFFAOYSA-N 0 1 340.471 2.939 20 10 EFCDMN CCN(CC)c1ccc(CNCc2cnc3n2CCOC3)cc1F ZINC000921716917 1261267202 /nfs/dbraw/zinc/26/72/02/1261267202.db2.gz RIPPUNZDPPGYRR-UHFFFAOYSA-N 0 1 332.423 2.688 20 10 EFCDMN O=C1CC[C@@H]2[C@@H](CCN2Cc2ccc(O)c(O)c2)N1CC1CCCC1 ZINC001272903033 1261293796 /nfs/dbraw/zinc/29/37/96/1261293796.db2.gz KEGJUZSJQRBWFG-IAGOWNOFSA-N 0 1 344.455 2.853 20 10 EFCDMN [O-]c1cc(Br)ccc1C[NH+]1CCC(C2OCCO2)CC1 ZINC000824689653 1278247598 /nfs/dbraw/zinc/24/75/98/1278247598.db2.gz RDLNDKSBXNDGNX-UHFFFAOYSA-N 0 1 342.233 2.740 20 10 EFCDMN CN(C)C(=O)c1cccc(CNCc2ccc(N(C)C)c(F)c2)c1 ZINC000733324367 1265168191 /nfs/dbraw/zinc/16/81/91/1265168191.db2.gz SKQNBTFJRWBNJF-UHFFFAOYSA-N 0 1 329.419 2.883 20 10 EFCDMN NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000733326629 1265169214 /nfs/dbraw/zinc/16/92/14/1265169214.db2.gz PSKMIOJSQDAPAE-LBPRGKRZSA-N 0 1 345.830 2.513 20 10 EFCDMN CC[C@@H](C)N1C(=O)C[C@]2(CCC[N@@H+](Cc3c([O-])cccc3F)C2)C1=O ZINC001273265370 1265209168 /nfs/dbraw/zinc/20/91/68/1265209168.db2.gz FVAILHVJTNSBIW-YJYMSZOUSA-N 0 1 348.418 2.671 20 10 EFCDMN O=C1C[C@]2(CN1CC(F)F)CCCC[N@@H+]2Cc1c([O-])cccc1F ZINC001273266229 1265247590 /nfs/dbraw/zinc/24/75/90/1265247590.db2.gz UCURAVBIRHCNOM-KRWDZBQOSA-N 0 1 342.361 2.753 20 10 EFCDMN CS(=O)(=O)C[C@H]1CCCCN1Cc1c(O)ccc(Cl)c1F ZINC000824914378 1278342335 /nfs/dbraw/zinc/34/23/35/1278342335.db2.gz RHBNPRZAWNRWNB-SNVBAGLBSA-N 0 1 335.828 2.584 20 10 EFCDMN COc1c([O-])c(C[N@H+](C)[C@H]2C[C@H](OC)C23CCC3)ccc1[N+](=O)[O-] ZINC000825104429 1278399306 /nfs/dbraw/zinc/39/93/06/1278399306.db2.gz WWOZWAMWDDLYHY-KBPBESRZSA-N 0 1 336.388 2.698 20 10 EFCDMN CC(C)=CCN1CC[C@@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994701 1269449929 /nfs/dbraw/zinc/44/99/29/1269449929.db2.gz RXMPWFOAPKUCNP-MRXNPFEDSA-N 0 1 343.431 2.962 20 10 EFCDMN CN(Cc1ccccc1O)C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000741417869 1269520829 /nfs/dbraw/zinc/52/08/29/1269520829.db2.gz NYTGQXNINZTVRJ-UHFFFAOYSA-N 0 1 337.383 2.519 20 10 EFCDMN CN(Cc1ccccc1O)C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000741417869 1269520835 /nfs/dbraw/zinc/52/08/35/1269520835.db2.gz NYTGQXNINZTVRJ-UHFFFAOYSA-N 0 1 337.383 2.519 20 10 EFCDMN CN(C)C(=O)N[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000825279118 1278490642 /nfs/dbraw/zinc/49/06/42/1278490642.db2.gz OHMQFRMUADOJBO-GOSISDBHSA-N 0 1 344.503 2.913 20 10 EFCDMN Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(Br)cc2[O-])o1 ZINC000825303896 1278498770 /nfs/dbraw/zinc/49/87/70/1278498770.db2.gz NHIIIGHHZVCQPW-ZDUSSCGKSA-N 0 1 326.190 2.879 20 10 EFCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000825346701 1278513559 /nfs/dbraw/zinc/51/35/59/1278513559.db2.gz FDMLUCGRAKYYIO-NSHDSACASA-N 0 1 340.217 2.689 20 10 EFCDMN Cc1cc(C(=O)NCCc2nc[nH]n2)c(C)n1-c1ccc(Cl)cc1 ZINC000742201876 1269933308 /nfs/dbraw/zinc/93/33/08/1269933308.db2.gz NONIFAYJQBBIQE-UHFFFAOYSA-N 0 1 343.818 2.838 20 10 EFCDMN Cc1ccoc1CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000742367504 1270007708 /nfs/dbraw/zinc/00/77/08/1270007708.db2.gz ALWSEQWFLZMEHJ-INIZCTEOSA-N 0 1 327.428 2.580 20 10 EFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000825406122 1278539500 /nfs/dbraw/zinc/53/95/00/1278539500.db2.gz OIXUOHYNMOCNPZ-ZFWWWQNUSA-N 0 1 342.233 2.582 20 10 EFCDMN CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825422695 1278548045 /nfs/dbraw/zinc/54/80/45/1278548045.db2.gz QXKHQYGGNWIDHZ-VHSXEESVSA-N 0 1 329.238 2.548 20 10 EFCDMN C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000825521949 1278581905 /nfs/dbraw/zinc/58/19/05/1278581905.db2.gz HFCXBYOCJRELRE-JSGCOSHPSA-N 0 1 344.386 2.802 20 10 EFCDMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000825521949 1278581920 /nfs/dbraw/zinc/58/19/20/1278581920.db2.gz HFCXBYOCJRELRE-JSGCOSHPSA-N 0 1 344.386 2.802 20 10 EFCDMN C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000825521955 1278582420 /nfs/dbraw/zinc/58/24/20/1278582420.db2.gz HFCXBYOCJRELRE-TZMCWYRMSA-N 0 1 344.386 2.802 20 10 EFCDMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000825521955 1278582423 /nfs/dbraw/zinc/58/24/23/1278582423.db2.gz HFCXBYOCJRELRE-TZMCWYRMSA-N 0 1 344.386 2.802 20 10 EFCDMN C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000825521952 1278582682 /nfs/dbraw/zinc/58/26/82/1278582682.db2.gz HFCXBYOCJRELRE-OCCSQVGLSA-N 0 1 344.386 2.802 20 10 EFCDMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000825521952 1278582687 /nfs/dbraw/zinc/58/26/87/1278582687.db2.gz HFCXBYOCJRELRE-OCCSQVGLSA-N 0 1 344.386 2.802 20 10 EFCDMN CCCN(Cc1c(O)ccc(Cl)c1F)[C@@H](COC)C(=O)OCC ZINC000792186729 1278626460 /nfs/dbraw/zinc/62/64/60/1278626460.db2.gz QBFRCVNNTCEOFN-ZDUSSCGKSA-N 0 1 347.814 2.975 20 10 EFCDMN CCC[N@H+](Cc1cccc(Cl)c1[O-])[C@@H](COC)C(=O)OCC ZINC000792185282 1278627244 /nfs/dbraw/zinc/62/72/44/1278627244.db2.gz JOIBYPQMWWIEEO-AWEZNQCLSA-N 0 1 329.824 2.836 20 10 EFCDMN CCC[N@@H+](Cc1cccc(Cl)c1[O-])[C@@H](COC)C(=O)OCC ZINC000792185282 1278627250 /nfs/dbraw/zinc/62/72/50/1278627250.db2.gz JOIBYPQMWWIEEO-AWEZNQCLSA-N 0 1 329.824 2.836 20 10 EFCDMN CCCN(Cc1cccc(Cl)c1O)[C@@H](COC)C(=O)OCC ZINC000792185282 1278627255 /nfs/dbraw/zinc/62/72/55/1278627255.db2.gz JOIBYPQMWWIEEO-AWEZNQCLSA-N 0 1 329.824 2.836 20 10 EFCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@](C)(O)C(F)F ZINC000886027972 1271442201 /nfs/dbraw/zinc/44/22/01/1271442201.db2.gz KSJSDFZTOFPPHY-ZDUSSCGKSA-N 0 1 338.192 2.993 20 10 EFCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@](C)(O)C(F)F ZINC000886027972 1271442192 /nfs/dbraw/zinc/44/21/92/1271442192.db2.gz KSJSDFZTOFPPHY-ZDUSSCGKSA-N 0 1 338.192 2.993 20 10 EFCDMN COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000792200044 1278639098 /nfs/dbraw/zinc/63/90/98/1278639098.db2.gz GTBXDRYDFXPRQN-SKDRFNHKSA-N 0 1 328.206 2.586 20 10 EFCDMN C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000702603451 1271554520 /nfs/dbraw/zinc/55/45/20/1271554520.db2.gz NDVGXCUEBIAPDZ-JXFKEZNVSA-N 0 1 326.440 2.680 20 10 EFCDMN CN(Cc1nc(C(C)(C)N)no1)Cc1ccc(N2CCCCC2)cc1 ZINC000844220236 1278796482 /nfs/dbraw/zinc/79/64/82/1278796482.db2.gz BOLDRVOXWHWGAL-UHFFFAOYSA-N 0 1 343.475 2.886 20 10 EFCDMN COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc2c(c1)OCO2 ZINC000844239241 1278834533 /nfs/dbraw/zinc/83/45/33/1278834533.db2.gz GEVQELPKWLDCLE-UHFFFAOYSA-N 0 1 341.772 2.878 20 10 EFCDMN COc1cccc(CN(CCN(C)C)C(=O)C2=CC(=O)CS2)c1 ZINC000792510871 1278834648 /nfs/dbraw/zinc/83/46/48/1278834648.db2.gz BGUYJBLTWIFSSP-UHFFFAOYSA-N 0 1 334.441 2.666 20 10 EFCDMN COC1(C[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C(=O)[O-])CCC1 ZINC000844288297 1278868030 /nfs/dbraw/zinc/86/80/30/1278868030.db2.gz CAVFHEBBLNWPES-LLVKDONJSA-N 0 1 331.771 2.687 20 10 EFCDMN [O-]c1cccc(Br)c1C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000706852025 1275051247 /nfs/dbraw/zinc/05/12/47/1275051247.db2.gz JJYJSYJSCHBNOF-LBPRGKRZSA-N 0 1 344.249 2.830 20 10 EFCDMN CCC(C)(C)NC(=O)[C@@H](C)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844399509 1278949455 /nfs/dbraw/zinc/94/94/55/1278949455.db2.gz KWCRSXWAPDNNEQ-OAHLLOKOSA-N 0 1 335.492 2.757 20 10 EFCDMN CCOc1cccc(CNCc2ccc(S(C)(=O)=O)s2)c1O ZINC000786826563 1275533632 /nfs/dbraw/zinc/53/36/32/1275533632.db2.gz HPHRXTOIXQBNSW-UHFFFAOYSA-N 0 1 341.454 2.546 20 10 EFCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+](C)CCC2CC2)c1 ZINC000746628642 1275636726 /nfs/dbraw/zinc/63/67/26/1275636726.db2.gz YDKVCZFWWHOAPB-UHFFFAOYSA-N 0 1 346.471 2.659 20 10 EFCDMN CN1CCCc2cc(CNC(=O)c3[nH]nc4c3CCCCC4)ccc21 ZINC000788783687 1276329839 /nfs/dbraw/zinc/32/98/39/1276329839.db2.gz GHBACWIHDFKRMF-UHFFFAOYSA-N 0 1 338.455 2.991 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)c1O ZINC000817874745 1276355529 /nfs/dbraw/zinc/35/55/29/1276355529.db2.gz PZNDFDDJALFTBB-JOYOIKCWSA-N 0 1 325.792 2.791 20 10 EFCDMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1cccc(Br)c1O ZINC000817880591 1276358029 /nfs/dbraw/zinc/35/80/29/1276358029.db2.gz AFOKXYPHPXVVGF-GXSJLCMTSA-N 0 1 328.206 2.840 20 10 EFCDMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1cccc(Br)c1O ZINC000817880591 1276358035 /nfs/dbraw/zinc/35/80/35/1276358035.db2.gz AFOKXYPHPXVVGF-GXSJLCMTSA-N 0 1 328.206 2.840 20 10 EFCDMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2cccc(Br)c2O)C1 ZINC000817882103 1276360690 /nfs/dbraw/zinc/36/06/90/1276360690.db2.gz YKGYMWFLFUWCIR-MWLCHTKSSA-N 0 1 328.206 2.697 20 10 EFCDMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000817882103 1276360692 /nfs/dbraw/zinc/36/06/92/1276360692.db2.gz YKGYMWFLFUWCIR-MWLCHTKSSA-N 0 1 328.206 2.697 20 10 EFCDMN CCCCC[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)C(=O)OC ZINC000789576938 1276825665 /nfs/dbraw/zinc/82/56/65/1276825665.db2.gz TUCBAXJKPTZHNK-LJQANCHMSA-N 0 1 347.503 2.650 20 10 EFCDMN O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1c(F)ccc(O)c1[O-] ZINC000789956845 1277121296 /nfs/dbraw/zinc/12/12/96/1277121296.db2.gz IJZXEOCDCYQLEZ-AWEZNQCLSA-N 0 1 344.386 2.631 20 10 EFCDMN O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c(F)ccc(O)c1[O-] ZINC000789956845 1277121297 /nfs/dbraw/zinc/12/12/97/1277121297.db2.gz IJZXEOCDCYQLEZ-AWEZNQCLSA-N 0 1 344.386 2.631 20 10 EFCDMN Cc1cc(CN(C)[C@H]2CCN(CC(F)(F)F)C2=O)ccc1N(C)C ZINC000815048849 1287268196 /nfs/dbraw/zinc/26/81/96/1287268196.db2.gz RSTSUAQQOYCKJJ-HNNXBMFYSA-N 0 1 343.393 2.656 20 10 EFCDMN CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]CC(=O)c1ccc([O-])c(O)c1 ZINC001170416109 1279098199 /nfs/dbraw/zinc/09/81/99/1279098199.db2.gz ALNKATPNNUWIKE-CQSZACIVSA-N 0 1 343.379 2.620 20 10 EFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)c1[O-] ZINC000821336858 1277521917 /nfs/dbraw/zinc/52/19/17/1277521917.db2.gz MLVYPVZOHVAQOU-GOSISDBHSA-N 0 1 346.402 2.978 20 10 EFCDMN CCc1cc(O)ccc1NS(=O)(=O)c1ccccc1C(=O)OC ZINC000790415779 1277527602 /nfs/dbraw/zinc/52/76/02/1277527602.db2.gz MUJLVMPAZUWYOT-UHFFFAOYSA-N 0 1 335.381 2.542 20 10 EFCDMN CCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2SC)cn1 ZINC000792702347 1279127187 /nfs/dbraw/zinc/12/71/87/1279127187.db2.gz RIPUXMPFNYYGHR-UHFFFAOYSA-N 0 1 340.426 2.709 20 10 EFCDMN CSc1cc(O)ccc1NS(=O)(=O)c1cncc(Cl)c1 ZINC000792701836 1279127444 /nfs/dbraw/zinc/12/74/44/1279127444.db2.gz CNHZLWCGVBAHKF-UHFFFAOYSA-N 0 1 330.818 2.963 20 10 EFCDMN COc1ccc(CNC(=O)NC[C@@H](c2cccs2)N(C)C)c(O)c1 ZINC000792791038 1279154141 /nfs/dbraw/zinc/15/41/41/1279154141.db2.gz XUCYUQJINUGUKF-AWEZNQCLSA-N 0 1 349.456 2.564 20 10 EFCDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001144293742 1279378204 /nfs/dbraw/zinc/37/82/04/1279378204.db2.gz SHNQXIYLXFLYCR-KOLCDFICSA-N 0 1 330.197 2.762 20 10 EFCDMN C[C@@H]1CCC[N@@H+](Cc2cc(Br)c(F)cc2[O-])[C@H]1CO ZINC001144298322 1279384514 /nfs/dbraw/zinc/38/45/14/1279384514.db2.gz BKDZWMAUOHULIF-RNCFNFMXSA-N 0 1 332.213 2.887 20 10 EFCDMN C[C@@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2[O-])CC[C@H]1O ZINC001144299274 1279386132 /nfs/dbraw/zinc/38/61/32/1279386132.db2.gz ULZFJMGESFAELT-NOZJJQNGSA-N 0 1 332.213 2.887 20 10 EFCDMN C[C@@H]1C[N@@H+](Cc2cc(Br)c(F)cc2[O-])CCC[C@H]1O ZINC001144298843 1279387510 /nfs/dbraw/zinc/38/75/10/1279387510.db2.gz LANOXCYYKROFLS-NOZJJQNGSA-N 0 1 332.213 2.887 20 10 EFCDMN C[C@H]1C[N@@H+](Cc2cc(Br)c(F)cc2[O-])CCC[C@H]1O ZINC001144298845 1279387800 /nfs/dbraw/zinc/38/78/00/1279387800.db2.gz LANOXCYYKROFLS-TVQRCGJNSA-N 0 1 332.213 2.887 20 10 EFCDMN CN(Cc1cc(Br)c(F)cc1O)Cc1ncccn1 ZINC001144298497 1279387891 /nfs/dbraw/zinc/38/78/91/1279387891.db2.gz DTKOUMGOCWHBKW-UHFFFAOYSA-N 0 1 326.169 2.716 20 10 EFCDMN CCOC(=O)[C@@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144306395 1279403835 /nfs/dbraw/zinc/40/38/35/1279403835.db2.gz ADLIOSWRUAAPOG-SECBINFHSA-N 0 1 346.196 2.679 20 10 EFCDMN C[C@H]1OCC[C@]12CN(Cc1cccc(Br)c1O)CCO2 ZINC000793232396 1279459782 /nfs/dbraw/zinc/45/97/82/1279459782.db2.gz XAESYLKYKVTXLP-ABAIWWIYSA-N 0 1 342.233 2.535 20 10 EFCDMN Cc1cccc(CN[C@@H](C(N)=O)c2cccc(Br)c2)c1O ZINC000793266562 1279487336 /nfs/dbraw/zinc/48/73/36/1279487336.db2.gz ORFVUDZPWWDYES-CQSZACIVSA-N 0 1 349.228 2.779 20 10 EFCDMN COc1ccc(CNCc2cc(OC)c(OC)cc2[N+](=O)[O-])c(O)c1 ZINC000793386551 1279614895 /nfs/dbraw/zinc/61/48/95/1279614895.db2.gz 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ZINC001259913865 1316297362 /nfs/dbraw/zinc/29/73/62/1316297362.db2.gz BPSSLPPSXQOJSP-UHFFFAOYSA-N 0 1 345.420 2.838 20 10 EFCDMN Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2O)c2ccncc12 ZINC001260085868 1316314075 /nfs/dbraw/zinc/31/40/75/1316314075.db2.gz MWYBSBNNHYVEFI-UHFFFAOYSA-N 0 1 330.365 2.755 20 10 EFCDMN COc1ccc(F)cc1S(=O)(=O)Nc1cc(C)c(O)cc1C ZINC001260649588 1316354027 /nfs/dbraw/zinc/35/40/27/1316354027.db2.gz DEGOJFCNWQVECP-UHFFFAOYSA-N 0 1 325.361 2.958 20 10 EFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cnn2ccncc12 ZINC001261123240 1316392100 /nfs/dbraw/zinc/39/21/00/1316392100.db2.gz ARDXDACABBBFAQ-UHFFFAOYSA-N 0 1 337.166 2.672 20 10 EFCDMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000399042846 1316423700 /nfs/dbraw/zinc/42/37/00/1316423700.db2.gz CQPPTTYCPZALGW-ONGXEEELSA-N 0 1 328.206 2.697 20 10 EFCDMN C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1c([O-])cccc1Br ZINC001261814134 1316432242 /nfs/dbraw/zinc/43/22/42/1316432242.db2.gz QTIZEMDOIHALHC-YGRLFVJLSA-N 0 1 325.250 2.727 20 10 EFCDMN COC(=O)CC(C)(C)[N@@H+](C)Cc1c(O)cccc1Br ZINC001261828672 1316432790 /nfs/dbraw/zinc/43/27/90/1316432790.db2.gz QRNDXWYVUHIDSA-UHFFFAOYSA-N 0 1 330.222 2.928 20 10 EFCDMN COC(=O)CC(C)(C)[N@H+](C)Cc1c([O-])cccc1Br ZINC001261828672 1316432792 /nfs/dbraw/zinc/43/27/92/1316432792.db2.gz QRNDXWYVUHIDSA-UHFFFAOYSA-N 0 1 330.222 2.928 20 10 EFCDMN COC(=O)CC(C)(C)[N@@H+](C)Cc1c([O-])cccc1Br ZINC001261828672 1316432793 /nfs/dbraw/zinc/43/27/93/1316432793.db2.gz QRNDXWYVUHIDSA-UHFFFAOYSA-N 0 1 330.222 2.928 20 10 EFCDMN [O-]c1c(C[N@@H+]2CC[C@H]3CN(Cc4cn[nH]c4)C[C@H]32)ccc2ccccc21 ZINC001279437300 1317263515 /nfs/dbraw/zinc/26/35/15/1317263515.db2.gz JBIUTLRGRDWCFY-FXAWDEMLSA-N 0 1 348.450 2.975 20 10 EFCDMN [O-]c1c(C[N@H+]2CC[C@H]3CN(Cc4cn[nH]c4)C[C@H]32)ccc2ccccc21 ZINC001279437300 1317263522 /nfs/dbraw/zinc/26/35/22/1317263522.db2.gz JBIUTLRGRDWCFY-FXAWDEMLSA-N 0 1 348.450 2.975 20 10 EFCDMN CC(C)C(=O)N1CCCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319695982 1328954213 /nfs/dbraw/zinc/95/42/13/1328954213.db2.gz PAEWZPNNOVIHLD-UHFFFAOYSA-N 0 1 329.488 2.977 20 10 EFCDMN CC[C@@H](C)[C@H](C)[N@@H+](Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)C1CC1 ZINC000737776134 1321978998 /nfs/dbraw/zinc/97/89/98/1321978998.db2.gz IZJDKBDFGABYFM-MNOVXSKESA-N 0 1 332.404 2.532 20 10 EFCDMN Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2c([O-])cccc2Cl)cn1 ZINC001319971992 1329046824 /nfs/dbraw/zinc/04/68/24/1329046824.db2.gz CPPVXKCPKUDDTP-GUYCJALGSA-N 0 1 335.835 2.867 20 10 EFCDMN Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2c([O-])cccc2Cl)cn1 ZINC001319971992 1329046828 /nfs/dbraw/zinc/04/68/28/1329046828.db2.gz CPPVXKCPKUDDTP-GUYCJALGSA-N 0 1 335.835 2.867 20 10 EFCDMN CCOc1ccc(N2CCN(C(=O)c3c(O)cccc3F)CC2)cc1 ZINC001320507478 1329149254 /nfs/dbraw/zinc/14/92/54/1329149254.db2.gz UORFHOJQRLVJIV-UHFFFAOYSA-N 0 1 344.386 2.892 20 10 EFCDMN CC(C)C[C@@](C)(C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(=O)[O-] ZINC000900051344 1324676388 /nfs/dbraw/zinc/67/63/88/1324676388.db2.gz BNTIANDKYQBQEZ-FQEVSTJZSA-N 0 1 347.503 2.665 20 10 EFCDMN CCN(CC)c1ccc(C[N@@H+](CC(=O)[O-])C2CCOCC2)cc1F ZINC000901983502 1324765413 /nfs/dbraw/zinc/76/54/13/1324765413.db2.gz GMQPTOJHKWKUKU-UHFFFAOYSA-N 0 1 338.423 2.738 20 10 EFCDMN CC(C)=CCSC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)C(=O)[O-] ZINC000904014719 1324860362 /nfs/dbraw/zinc/86/03/62/1324860362.db2.gz XHXDRJWNZVQNIN-ZDUSSCGKSA-N 0 1 331.384 2.913 20 10 EFCDMN CC(C)CCC[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(=O)[O-] ZINC000904036424 1324860886 /nfs/dbraw/zinc/86/08/86/1324860886.db2.gz MGZPAKBLQUDWGH-IBGZPJMESA-N 0 1 347.503 2.808 20 10 EFCDMN CCN(CC)c1ccc(CNC2CC[NH+](CCCC(=O)[O-])CC2)cc1 ZINC000904061630 1324863188 /nfs/dbraw/zinc/86/31/88/1324863188.db2.gz RCPOKLVIVFSCJA-UHFFFAOYSA-N 0 1 347.503 2.952 20 10 EFCDMN CCN(CC)c1ccc(C[NH2+]C2CCN(CCCC(=O)[O-])CC2)cc1 ZINC000904061630 1324863191 /nfs/dbraw/zinc/86/31/91/1324863191.db2.gz RCPOKLVIVFSCJA-UHFFFAOYSA-N 0 1 347.503 2.952 20 10 EFCDMN COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC001320836011 1329308074 /nfs/dbraw/zinc/30/80/74/1329308074.db2.gz FOFXTIUTPDXVQY-RYUDHWBXSA-N 0 1 328.206 2.586 20 10 EFCDMN CN1CCN(c2ccc(CNc3ccc([S@](C)=O)cc3)cc2)CC1 ZINC001325276824 1329677904 /nfs/dbraw/zinc/67/79/04/1329677904.db2.gz BJYWZGIGPZLDGM-DEOSSOPVSA-N 0 1 343.496 2.788 20 10 EFCDMN Cc1cc(NC(=O)C2=CC(=O)CS2)ccc1N1CCN(C)CC1 ZINC001327616159 1330500796 /nfs/dbraw/zinc/50/07/96/1330500796.db2.gz KCOJSOFMKRNFGM-UHFFFAOYSA-N 0 1 331.441 2.766 20 10 EFCDMN CN(C)[C@]1(C[NH2+]Cc2c([O-])cccc2Br)CCSC1 ZINC001329710457 1330729804 /nfs/dbraw/zinc/72/98/04/1330729804.db2.gz LEIDDYYXMJOPGM-AWEZNQCLSA-N 0 1 345.306 2.682 20 10 EFCDMN CCc1nc([C@H](C)NCc2c(O)cccc2Br)n[nH]1 ZINC001331269593 1330813108 /nfs/dbraw/zinc/81/31/08/1330813108.db2.gz BPUHMNHXIMAYBW-QMMMGPOBSA-N 0 1 325.210 2.686 20 10 EFCDMN CC[C@](C)(CC(=O)OC)[NH2+]Cc1c([O-])cccc1Br ZINC001331693437 1330867351 /nfs/dbraw/zinc/86/73/51/1330867351.db2.gz NQDGPGBNXYBYHW-CQSZACIVSA-N 0 1 330.222 2.976 20 10 EFCDMN CC[C@@H](C)[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)C(=O)[O-] ZINC001333188727 1331090896 /nfs/dbraw/zinc/09/08/96/1331090896.db2.gz XLZVZLLFFHTXMI-RDDDGLTNSA-N 0 1 334.185 2.883 20 10 EFCDMN COc1ccc(CN[C@@H](C)c2cnn(C)c2C)cc1Cn1cccn1 ZINC001333321028 1331116083 /nfs/dbraw/zinc/11/60/83/1331116083.db2.gz GAPYOBWOUINHFB-AWEZNQCLSA-N 0 1 339.443 2.833 20 10 EFCDMN C[C@@H](CCCCC(=O)[O-])[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001343648120 1332365925 /nfs/dbraw/zinc/36/59/25/1332365925.db2.gz LQLILXJAKAIZJR-INIZCTEOSA-N 0 1 333.476 2.562 20 10 EFCDMN CCn1c(C2SC=CC2=O)nnc1N1CCN(C2CCCC2)CC1 ZINC001352322190 1333468332 /nfs/dbraw/zinc/46/83/32/1333468332.db2.gz RGRNPSZGRUVSQQ-UHFFFAOYSA-N 0 1 347.488 2.797 20 10 EFCDMN CCCCN(Cc1cccc(CC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000848880261 1334957396 /nfs/dbraw/zinc/95/73/96/1334957396.db2.gz MROOEOSITBACAW-MRXNPFEDSA-N 0 1 325.474 2.744 20 10 EFCDMN CCc1cccc(CN(C)[C@@H]2CCN(CC(F)(F)F)C2=O)c1O ZINC000848887376 1334963020 /nfs/dbraw/zinc/96/30/20/1334963020.db2.gz UUOKWTAKJIAIKD-CYBMUJFWSA-N 0 1 330.350 2.550 20 10 EFCDMN CCc1cccc(CN[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)c1O ZINC000848899809 1334971053 /nfs/dbraw/zinc/97/10/53/1334971053.db2.gz TZCTZCDQIVACPX-CYBMUJFWSA-N 0 1 342.403 2.610 20 10 EFCDMN Cc1nc[nH]c1-c1nnc(N(C)Cc2ccccc2O)n1CC(C)C ZINC001357866453 1335340754 /nfs/dbraw/zinc/34/07/54/1335340754.db2.gz QQRCLPHEHXDCDE-UHFFFAOYSA-N 0 1 340.431 2.975 20 10 EFCDMN CN(C)c1ccc(CNc2c(-c3nnn[n-]3)c[nH+]c3ccccc32)cc1 ZINC000736779712 1427687981 /nfs/dbraw/zinc/68/79/81/1427687981.db2.gz LSJLZYNRBJIBFV-UHFFFAOYSA-N 0 1 345.410 2.515 20 10 EFCDMN CCOc1ccc(C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)c(O)c1 ZINC000825639524 1427717170 /nfs/dbraw/zinc/71/71/70/1427717170.db2.gz YVHNDZWAGYKPJT-UHFFFAOYSA-N 0 1 339.399 2.603 20 10 EFCDMN CCN(CC(=O)NCc1ccc(F)cc1)Cc1cccc(OC)c1O ZINC000160234828 712990287 /nfs/dbraw/zinc/99/02/87/712990287.db2.gz UNNIUHFPBZALQK-UHFFFAOYSA-N 0 1 346.402 2.678 20 10 EFCDMN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C=O)s2)N(C)C)cc1 ZINC000891246426 714133592 /nfs/dbraw/zinc/13/35/92/714133592.db2.gz NSDXGNOUWKRASI-MRXNPFEDSA-N 0 1 345.468 2.659 20 10 EFCDMN CN(C)c1ccc([C@H](CNC(=O)c2ccc([O-])cc2F)[NH+](C)C)cc1 ZINC000891249094 714140189 /nfs/dbraw/zinc/14/01/89/714140189.db2.gz PNZKXTWAOOAVEN-SFHVURJKSA-N 0 1 345.418 2.630 20 10 EFCDMN CN1CCCc2cc(CNC(=O)Cc3[nH]nc4ccccc43)ccc21 ZINC000050630133 714447203 /nfs/dbraw/zinc/44/72/03/714447203.db2.gz PUOCBKBWUMGSAC-UHFFFAOYSA-N 0 1 334.423 2.804 20 10 EFCDMN CCCCN(Cc1cc(Cl)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000160770239 714464785 /nfs/dbraw/zinc/46/47/85/714464785.db2.gz MLTHLRVSJOMERO-AWEZNQCLSA-N 0 1 331.865 2.835 20 10 EFCDMN COc1ccc(CN2CCN(C)C[C@@H]2c2ccccc2)c(O)c1OC ZINC000891400970 714618961 /nfs/dbraw/zinc/61/89/61/714618961.db2.gz XONVAONQEZXJOX-QGZVFWFLSA-N 0 1 342.439 2.898 20 10 EFCDMN CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000104328955 716032748 /nfs/dbraw/zinc/03/27/48/716032748.db2.gz GZGKYDSCJGPDGV-QFBILLFUSA-N 0 1 345.487 2.575 20 10 EFCDMN [O-]c1cc(Br)ccc1C[NH2+]CCO[C@H]1CCCCO1 ZINC000894793259 722852033 /nfs/dbraw/zinc/85/20/33/722852033.db2.gz HXTZTBDTIMRIKW-AWEZNQCLSA-N 0 1 330.222 2.788 20 10 EFCDMN CC[C@H]([NH2+][C@@H]1COCC[C@H]1OC)c1cc(Br)ccc1[O-] ZINC000724886517 716318436 /nfs/dbraw/zinc/31/84/36/716318436.db2.gz HXEHDJDHBBPROQ-GZBFAFLISA-N 0 1 344.249 2.999 20 10 EFCDMN CSc1cc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)co1 ZINC000893607333 717356229 /nfs/dbraw/zinc/35/62/29/717356229.db2.gz GFBNOVDLBVAZDA-UHFFFAOYSA-N 0 1 345.468 2.683 20 10 EFCDMN COc1ccc(CNCc2nn(C)c3ccccc23)c(O)c1OC ZINC000893587604 717810427 /nfs/dbraw/zinc/81/04/27/717810427.db2.gz GEWGUABHZHSTSB-UHFFFAOYSA-N 0 1 327.384 2.586 20 10 EFCDMN Cc1cc(N(C)C)ccc1CN1CCN(C(=O)C2CC2)CC1(C)C ZINC000840939293 717875293 /nfs/dbraw/zinc/87/52/93/717875293.db2.gz KMKWONQXMCAXBZ-UHFFFAOYSA-N 0 1 329.488 2.894 20 10 EFCDMN CCN(CC)[C@H](CNC(=O)c1ccc(C)c(O)c1O)c1ccco1 ZINC000177676914 718158655 /nfs/dbraw/zinc/15/86/55/718158655.db2.gz ZTKNIZZPVUXJAO-CQSZACIVSA-N 0 1 332.400 2.812 20 10 EFCDMN CN(C)c1ccc(CNc2ccc(N3CCN(C)CC3)nc2)cc1F ZINC000162942925 718367965 /nfs/dbraw/zinc/36/79/65/718367965.db2.gz VXCGKPVBCCUGSD-UHFFFAOYSA-N 0 1 343.450 2.651 20 10 EFCDMN O=C(c1ccccc1)N1CCN(Cc2cc(F)cc(F)c2O)CC1 ZINC000893863329 720129827 /nfs/dbraw/zinc/12/98/27/720129827.db2.gz FVMOWQCBSQAUDR-UHFFFAOYSA-N 0 1 332.350 2.628 20 10 EFCDMN C[N@@H+](CC(=O)NC1CC1)Cc1cc(Cl)cc(Br)c1[O-] ZINC000893912125 720157095 /nfs/dbraw/zinc/15/70/95/720157095.db2.gz RYNXGWXVVLTJGI-UHFFFAOYSA-N 0 1 347.640 2.519 20 10 EFCDMN C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cc(F)cc(F)c2[O-])C[C@@H](C)O1 ZINC000893975415 720192415 /nfs/dbraw/zinc/19/24/15/720192415.db2.gz ADOOJWYDIVOFQY-IOASZLSFSA-N 0 1 340.414 2.744 20 10 EFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCCN(Cc2cscn2)CC1 ZINC000893999571 720214423 /nfs/dbraw/zinc/21/44/23/720214423.db2.gz TUMSFQWHRXFRSU-UHFFFAOYSA-N 0 1 339.411 2.835 20 10 EFCDMN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000894003584 720218113 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EFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(=O)[O-])C[C@H]2C)c1O ZINC001603103585 1096442108 /nfs/dbraw/zinc/44/21/08/1096442108.db2.gz RMWBFBHAAQVPPA-MWLCHTKSSA-N 0 1 325.792 2.933 20 10 EFCDMN C[C@H](Nc1cc(C(=O)[O-])cc[nH+]1)c1ccc(N2CCOCC2)cc1 ZINC001604363595 1096829804 /nfs/dbraw/zinc/82/98/04/1096829804.db2.gz KBCYNMLFZFOITH-ZDUSSCGKSA-N 0 1 327.384 2.790 20 10 EFCDMN C[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)[C@@H](C(=O)[O-])C1 ZINC001604753626 1096947941 /nfs/dbraw/zinc/94/79/41/1096947941.db2.gz FWNJNPITNVRTIP-BXKDBHETSA-N 0 1 328.206 2.840 20 10 EFCDMN C[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)[C@@H](C(=O)[O-])C1 ZINC001604753626 1096947945 /nfs/dbraw/zinc/94/79/45/1096947945.db2.gz FWNJNPITNVRTIP-BXKDBHETSA-N 0 1 328.206 2.840 20 10 EFCDMN CC[C@@](C)(C(=O)[O-])[N@H+](Cc1ccc(OC)c(OC)c1O)CC1CC1 ZINC001604888806 1096975938 /nfs/dbraw/zinc/97/59/38/1096975938.db2.gz HAIQFAPFABUXLV-SFHVURJKSA-N 0 1 337.416 2.875 20 10 EFCDMN CCOc1ccc(C[N@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c(O)c1 ZINC001605690111 1097196124 /nfs/dbraw/zinc/19/61/24/1097196124.db2.gz BGHUUXQOQVUEHB-CQSZACIVSA-N 0 1 333.306 2.630 20 10 EFCDMN COc1ccc(C[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)c(O)c1OC ZINC001607251941 1097575930 /nfs/dbraw/zinc/57/59/30/1097575930.db2.gz GBGKECUKKSFBRX-HNNXBMFYSA-N 0 1 343.379 2.593 20 10 EFCDMN O=C([O-])c1coc(C[NH2+]Cc2cccc(Br)c2O)c1 ZINC001608989430 1098100801 /nfs/dbraw/zinc/10/08/01/1098100801.db2.gz KXPIWSQZDMPOFW-UHFFFAOYSA-N 0 1 326.146 2.736 20 10 EFCDMN CCOc1ccc(N2CC[NH+](Cc3cc(C(=O)[O-])co3)CC2)cc1 ZINC001610042909 1098528701 /nfs/dbraw/zinc/52/87/01/1098528701.db2.gz PDDFUTPPVVPZLP-UHFFFAOYSA-N 0 1 330.384 2.699 20 10 EFCDMN COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]2C)c1O ZINC001610207603 1098571808 /nfs/dbraw/zinc/57/18/08/1098571808.db2.gz IWCWOHHNLSSHOE-YPMHNXCESA-N 0 1 343.379 2.627 20 10 EFCDMN O=C([O-])[C@H]1[C@H](C[N@@H+](Cc2ccco2)Cc2ccccc2O)C1(F)F ZINC001610731655 1098856916 /nfs/dbraw/zinc/85/69/16/1098856916.db2.gz PEJVOTNYWBDFLR-DZGCQCFKSA-N 0 1 337.322 2.953 20 10 EFCDMN COc1cc(Br)cc(CN[C@@H](C)c2ccn(C)n2)c1O ZINC000839191974 1099654314 /nfs/dbraw/zinc/65/43/14/1099654314.db2.gz RCYHLPUURJODLX-VIFPVBQESA-N 0 1 340.221 2.748 20 10 EFCDMN CSc1cc(NCc2ccc(N3CCN(C)CC3)cc2)nc(C)n1 ZINC001167423056 1101574599 /nfs/dbraw/zinc/57/45/99/1101574599.db2.gz LMAZVMPOKQFSIE-UHFFFAOYSA-N 0 1 343.500 2.871 20 10 EFCDMN COc1c(Cl)cnnc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167426212 1101584160 /nfs/dbraw/zinc/58/41/60/1101584160.db2.gz BVIOIPZKPHOJLY-UHFFFAOYSA-N 0 1 347.850 2.503 20 10 EFCDMN Cc1c(NCc2ccc(N3CCN(C)CC3)cc2)cnc2nccnc12 ZINC001167431433 1101616040 /nfs/dbraw/zinc/61/60/40/1101616040.db2.gz ZJQKWKIPSPKLQX-UHFFFAOYSA-N 0 1 348.454 2.697 20 10 EFCDMN Cc1ncnc(Cl)c1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167434092 1101659195 /nfs/dbraw/zinc/65/91/95/1101659195.db2.gz BDIRABVXNFHAKA-UHFFFAOYSA-N 0 1 331.851 2.802 20 10 EFCDMN CC(=O)N1CCC[C@H](N(C)Cc2c(O)cccc2Br)C1 ZINC001140104006 1102135444 /nfs/dbraw/zinc/13/54/44/1102135444.db2.gz YKMDSVCZZLEHCA-LBPRGKRZSA-N 0 1 341.249 2.597 20 10 EFCDMN C[C@@H](NCc1c(Br)cnn1C)c1cc(F)ccc1O ZINC000693441035 1102301190 /nfs/dbraw/zinc/30/11/90/1102301190.db2.gz SBJIAXRSVXKNSV-MRVPVSSYSA-N 0 1 328.185 2.878 20 10 EFCDMN CCn1[nH]c(C)nc1=NCc1cc(Cl)cc(Br)c1O ZINC000905414033 1103158788 /nfs/dbraw/zinc/15/87/88/1103158788.db2.gz GVRQTCNPOVJJEW-UHFFFAOYSA-N 0 1 345.628 2.762 20 10 EFCDMN CC[NH+](CC)CCCN1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142524789 1106134956 /nfs/dbraw/zinc/13/49/56/1106134956.db2.gz KWRJOEHLZYBPRD-UHFFFAOYSA-N 0 1 341.446 2.520 20 10 EFCDMN CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000929185057 1107376534 /nfs/dbraw/zinc/37/65/34/1107376534.db2.gz LOTMZWSLVHPDEO-YJBOKZPZSA-N 0 1 334.460 2.543 20 10 EFCDMN CC[C@H](C)[C@@H](C(=O)OC)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000929185057 1107376550 /nfs/dbraw/zinc/37/65/50/1107376550.db2.gz LOTMZWSLVHPDEO-YJBOKZPZSA-N 0 1 334.460 2.543 20 10 EFCDMN [O-]c1c(Br)cc(F)cc1C[N@@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001235299565 1111731077 /nfs/dbraw/zinc/73/10/77/1111731077.db2.gz VTNWGMQILXDHQE-RYUDHWBXSA-N 0 1 336.176 2.589 20 10 EFCDMN CCCCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3ccccc3O)C2)C1=O ZINC001272618838 1111754286 /nfs/dbraw/zinc/75/42/86/1111754286.db2.gz PBXSVGWTJBDSAI-LJQANCHMSA-N 0 1 330.428 2.533 20 10 EFCDMN CN1CC[C@@]2(CC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1=O ZINC001272621191 1111756923 /nfs/dbraw/zinc/75/69/23/1111756923.db2.gz ILJRYVGODGWDJI-HNNXBMFYSA-N 0 1 329.227 2.753 20 10 EFCDMN Cc1cc(Br)c([O-])c(CN2CC[NH2+][C@H](C(C)C)C2)c1 ZINC001235475681 1111781825 /nfs/dbraw/zinc/78/18/25/1111781825.db2.gz WBNSDIAVYNDLBF-AWEZNQCLSA-N 0 1 327.266 2.893 20 10 EFCDMN O=C1N(CC(F)F)CC[C@]12CC[N@@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC001272638383 1111796283 /nfs/dbraw/zinc/79/62/83/1111796283.db2.gz SAJYYDHXDLLEJC-INIZCTEOSA-N 0 1 344.789 2.735 20 10 EFCDMN O=C1N(CC(F)F)CC[C@]12CC[N@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC001272638383 1111796285 /nfs/dbraw/zinc/79/62/85/1111796285.db2.gz SAJYYDHXDLLEJC-INIZCTEOSA-N 0 1 344.789 2.735 20 10 EFCDMN CCCCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(O)c(C)c2O)C1=O ZINC001272659938 1111945930 /nfs/dbraw/zinc/94/59/30/1111945930.db2.gz HVOMVPSFQQGRPL-IBGZPJMESA-N 0 1 332.444 2.773 20 10 EFCDMN COCCN(Cc1ccc2c(c1)OCO2)Cc1cc(F)ccc1O ZINC000180141723 1112879064 /nfs/dbraw/zinc/87/90/64/1112879064.db2.gz HLJQQMVWVRSTLJ-UHFFFAOYSA-N 0 1 333.359 2.909 20 10 EFCDMN COc1cccc(CN2CCN(c3nccc(C(C)C)n3)CC2)c1O ZINC000185655879 1120404351 /nfs/dbraw/zinc/40/43/51/1120404351.db2.gz AZKJGZBFHDPHEP-UHFFFAOYSA-N 0 1 342.443 2.636 20 10 EFCDMN CCNC(=O)[C@@H](C)[NH2+][C@@H](CC)c1cc(Br)ccc1[O-] ZINC000036795156 213118681 /nfs/dbraw/zinc/11/86/81/213118681.db2.gz YOKBRALBZPEXME-SKDRFNHKSA-N 0 1 329.238 2.720 20 10 EFCDMN COc1ccc(N2CCN(CCCNC(=O)[C@H](C)C(C)C)CC2)cc1 ZINC000171914055 239162219 /nfs/dbraw/zinc/16/22/19/239162219.db2.gz SFXYXOWBJWCZRB-QGZVFWFLSA-N 0 1 347.503 2.616 20 10 EFCDMN C[C@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCS1 ZINC000192169483 240027982 /nfs/dbraw/zinc/02/79/82/240027982.db2.gz MTYYCJXWWCLRSN-HNNXBMFYSA-N 0 1 335.517 2.538 20 10 EFCDMN Cc1ccc(CN2CC[C@@H](NCc3ccc4c(c3)CCO4)C2=O)cc1 ZINC000191809195 240008739 /nfs/dbraw/zinc/00/87/39/240008739.db2.gz WCMVOHJGBWIBHT-LJQANCHMSA-N 0 1 336.435 2.821 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1O ZINC000248510645 240291904 /nfs/dbraw/zinc/29/19/04/240291904.db2.gz AJDMOPQRHHCDHQ-RLCCDNCMSA-N 0 1 335.375 2.952 20 10 EFCDMN Cc1cc(C(=O)C[N@H+](C)CCC(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000263577942 240385235 /nfs/dbraw/zinc/38/52/35/240385235.db2.gz SCCPKSJMRYHTAF-UHFFFAOYSA-N 0 1 328.412 2.992 20 10 EFCDMN Cc1cc(C(=O)C[N@@H+](C)CCC(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000263577942 240385242 /nfs/dbraw/zinc/38/52/42/240385242.db2.gz SCCPKSJMRYHTAF-UHFFFAOYSA-N 0 1 328.412 2.992 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c1[O-] ZINC000291638669 241025725 /nfs/dbraw/zinc/02/57/25/241025725.db2.gz DPVFJZUYJHIXJJ-HXUWFJFHSA-N 0 1 343.398 2.870 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c1[O-] ZINC000291638669 241025731 /nfs/dbraw/zinc/02/57/31/241025731.db2.gz DPVFJZUYJHIXJJ-HXUWFJFHSA-N 0 1 343.398 2.870 20 10 EFCDMN Cc1ccc(O)c(C[N@@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000291624252 241026867 /nfs/dbraw/zinc/02/68/67/241026867.db2.gz RUUVGLOVZKAFHI-GFCCVEGCSA-N 0 1 330.350 2.591 20 10 EFCDMN Cc1ccc(O)c(C[N@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000291624252 241026874 /nfs/dbraw/zinc/02/68/74/241026874.db2.gz RUUVGLOVZKAFHI-GFCCVEGCSA-N 0 1 330.350 2.591 20 10 EFCDMN C[C@@H](c1cc([N+](=O)[O-])ccc1[O-])[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000296308935 241081460 /nfs/dbraw/zinc/08/14/60/241081460.db2.gz GFTCKYRJMSZUMG-QWHCGFSZSA-N 0 1 349.431 2.975 20 10 EFCDMN Cc1cc(CN[C@]2(CO)CCOc3ccccc32)ccc1N(C)C ZINC000294362441 241044826 /nfs/dbraw/zinc/04/48/26/241044826.db2.gz ZYTIZQBPMFOUGQ-FQEVSTJZSA-N 0 1 326.440 2.821 20 10 EFCDMN CCCN(Cc1ccccc1O)C(=O)NCc1n[nH]c(C(C)C)n1 ZINC000298040390 241139476 /nfs/dbraw/zinc/13/94/76/241139476.db2.gz HRFUVKJZQAGATA-UHFFFAOYSA-N 0 1 331.420 2.756 20 10 EFCDMN NS(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000021516506 212227718 /nfs/dbraw/zinc/22/77/18/212227718.db2.gz LQYZOJLODAHKHF-UHFFFAOYSA-N 0 1 347.223 2.959 20 10 EFCDMN O=C(N1CCCC1)N1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000367219738 242377257 /nfs/dbraw/zinc/37/72/57/242377257.db2.gz XZRHIWOOIRKKHK-OAHLLOKOSA-N 0 1 337.851 2.815 20 10 EFCDMN COc1cccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000172536799 533475184 /nfs/dbraw/zinc/47/51/84/533475184.db2.gz ITUUQCIXJKRMKT-KRWDZBQOSA-N 0 1 328.412 2.977 20 10 EFCDMN C[C@@H]1CN(c2ccc(CNC(=O)C(F)(F)F)cc2F)C[C@@H](C)O1 ZINC000058228271 132803753 /nfs/dbraw/zinc/80/37/53/132803753.db2.gz RQBYVIQBVBUIRT-NXEZZACHSA-N 0 1 334.313 2.618 20 10 EFCDMN C[C@@H]([NH2+]CCCN1CCN(C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184900308 287024941 /nfs/dbraw/zinc/02/49/41/287024941.db2.gz NXDYIWKMYPOWDC-GFCCVEGCSA-N 0 1 346.302 2.987 20 10 EFCDMN C[C@@H]([NH2+]Cc1ncc(C(F)(F)F)cn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000296290931 287042181 /nfs/dbraw/zinc/04/21/81/287042181.db2.gz FLEDQTTVTXPGAM-MRVPVSSYSA-N 0 1 342.277 2.960 20 10 EFCDMN COc1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000085795060 544512999 /nfs/dbraw/zinc/51/29/99/544512999.db2.gz ALTRSJTWHQRYOP-KRWDZBQOSA-N 0 1 328.412 2.977 20 10 EFCDMN C[C@@H](C[N@@H+](C)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)C1CCCCC1 ZINC000530172864 317070612 /nfs/dbraw/zinc/07/06/12/317070612.db2.gz KNQVUEKHNWKZRC-LBPRGKRZSA-N 0 1 346.431 2.781 20 10 EFCDMN COc1ccc(N2CCN(C(=O)c3ccc(F)cc3O)CC2)cc1F ZINC000124068293 473208908 /nfs/dbraw/zinc/20/89/08/473208908.db2.gz LRFKXUOIVKWCBF-UHFFFAOYSA-N 0 1 348.349 2.641 20 10 EFCDMN CC[N@H+](CCC1OCCO1)Cc1cc(Br)ccc1[O-] ZINC000124494295 473252983 /nfs/dbraw/zinc/25/29/83/473252983.db2.gz DFOUVIKBDGSBBN-UHFFFAOYSA-N 0 1 330.222 2.740 20 10 EFCDMN CC[N@@H+](CCC1OCCO1)Cc1cc(Br)ccc1[O-] ZINC000124494295 473252989 /nfs/dbraw/zinc/25/29/89/473252989.db2.gz DFOUVIKBDGSBBN-UHFFFAOYSA-N 0 1 330.222 2.740 20 10 EFCDMN CC(C)NC(=O)CC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000184981567 473290238 /nfs/dbraw/zinc/29/02/38/473290238.db2.gz CUFDNUWLNZMZIR-SNVBAGLBSA-N 0 1 329.238 2.720 20 10 EFCDMN CC[C@H]([NH2+]CC(C)(C)C(N)=O)c1cc(Br)ccc1[O-] ZINC000185214083 473364750 /nfs/dbraw/zinc/36/47/50/473364750.db2.gz KAMXGJSSFRKESA-NSHDSACASA-N 0 1 329.238 2.707 20 10 EFCDMN Oc1cc2c(cc1CN1CCN(CCc3cccs3)CC1)OCO2 ZINC000057104419 472382382 /nfs/dbraw/zinc/38/23/82/472382382.db2.gz ICYBSLFJAHJVIK-UHFFFAOYSA-N 0 1 346.452 2.543 20 10 EFCDMN CC[C@H]([NH2+]CCCNC(C)=O)c1cc(Br)ccc1[O-] ZINC000154990947 472494602 /nfs/dbraw/zinc/49/46/02/472494602.db2.gz HJLBKHPZJQTFNF-ZDUSSCGKSA-N 0 1 329.238 2.722 20 10 EFCDMN C[C@H]1SCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H]1C ZINC000118533869 472498150 /nfs/dbraw/zinc/49/81/50/472498150.db2.gz RUVCCAXCIAVGAT-HUUCEWRRSA-N 0 1 335.517 2.537 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1[O-] ZINC000119294777 472543177 /nfs/dbraw/zinc/54/31/77/472543177.db2.gz MKLDVSRRBGKIQM-CYBMUJFWSA-N 0 1 348.834 2.752 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c1[O-] ZINC000119294777 472543179 /nfs/dbraw/zinc/54/31/79/472543179.db2.gz MKLDVSRRBGKIQM-CYBMUJFWSA-N 0 1 348.834 2.752 20 10 EFCDMN COc1ccc(O)c(CN2CCc3cc(OC)c(OC)cc3C2)c1 ZINC000155972474 472648820 /nfs/dbraw/zinc/64/88/20/472648820.db2.gz APKGLAWEOVMGOQ-UHFFFAOYSA-N 0 1 329.396 2.976 20 10 EFCDMN Cc1c(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cnn1C ZINC000090888228 472664548 /nfs/dbraw/zinc/66/45/48/472664548.db2.gz WXEAHCSJQOLEDR-ZDUSSCGKSA-N 0 1 332.423 2.555 20 10 EFCDMN CC[N@H+](CC[C@@H]1CCOC1=O)Cc1cc(Br)ccc1[O-] ZINC000120783754 472746810 /nfs/dbraw/zinc/74/68/10/472746810.db2.gz PLQADSXKUCXNMB-LLVKDONJSA-N 0 1 342.233 2.930 20 10 EFCDMN CC[N@@H+](CC[C@@H]1CCOC1=O)Cc1cc(Br)ccc1[O-] ZINC000120783754 472746818 /nfs/dbraw/zinc/74/68/18/472746818.db2.gz PLQADSXKUCXNMB-LLVKDONJSA-N 0 1 342.233 2.930 20 10 EFCDMN CCN(Cc1ccc(C(=O)N(C)C)[nH]1)Cc1ccc(N(C)C)cc1 ZINC000156838780 472758944 /nfs/dbraw/zinc/75/89/44/472758944.db2.gz JHBMZXNIHRDNAS-UHFFFAOYSA-N 0 1 328.460 2.805 20 10 EFCDMN COc1ccc(OC)c2c1CN(Cc1cc(C)ccc1O)C[C@H]2O ZINC000121116300 472800500 /nfs/dbraw/zinc/80/05/00/472800500.db2.gz AJNNKMDKSXSESY-MRXNPFEDSA-N 0 1 329.396 2.767 20 10 EFCDMN COc1cccc(CN2CCCN(C(=O)c3ccccc3)CC2)c1O ZINC000121246383 472822375 /nfs/dbraw/zinc/82/23/75/472822375.db2.gz ZDCUSMVWRIVGGM-UHFFFAOYSA-N 0 1 340.423 2.749 20 10 EFCDMN CCN(CC)c1ccc(CN2CCC[C@H](N3CCNC3=O)C2)cc1F ZINC000092188637 472872383 /nfs/dbraw/zinc/87/23/83/472872383.db2.gz WSQZNNRUNYMEQB-INIZCTEOSA-N 0 1 348.466 2.662 20 10 EFCDMN CCCOc1ccc(CN2CCN(Cc3ccccn3)CC2)c(O)c1 ZINC000121962927 472954950 /nfs/dbraw/zinc/95/49/50/472954950.db2.gz LGOXSUXITOJQDX-UHFFFAOYSA-N 0 1 341.455 2.894 20 10 EFCDMN COc1ccc(OC)c(CN(CCO)Cc2ccc(N(C)C)cc2)c1 ZINC000093361416 473095052 /nfs/dbraw/zinc/09/50/52/473095052.db2.gz YADRMZSYEZVZHP-UHFFFAOYSA-N 0 1 344.455 2.764 20 10 EFCDMN CC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H](C)CS(C)(=O)=O ZINC000093390815 473100007 /nfs/dbraw/zinc/10/00/07/473100007.db2.gz PLOWBFAOBDFKHF-VIFPVBQESA-N 0 1 340.272 2.954 20 10 EFCDMN CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H](C)CS(C)(=O)=O ZINC000093390815 473100010 /nfs/dbraw/zinc/10/00/10/473100010.db2.gz PLOWBFAOBDFKHF-VIFPVBQESA-N 0 1 340.272 2.954 20 10 EFCDMN Cn1ccnc1[C@H](O)C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000093454669 473109560 /nfs/dbraw/zinc/10/95/60/473109560.db2.gz UQEGQWWCPLKODX-MRXNPFEDSA-N 0 1 335.835 2.725 20 10 EFCDMN COc1ccc(N2CCCN([C@H](C)C(=O)N3CCCCC3)CC2)cc1 ZINC000052465938 473109778 /nfs/dbraw/zinc/10/97/78/473109778.db2.gz AACLWMCKYCBAQU-QGZVFWFLSA-N 0 1 345.487 2.608 20 10 EFCDMN CCCCNC(=O)[C@@H](C)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466715 473111837 /nfs/dbraw/zinc/11/18/37/473111837.db2.gz CWDKKMBRFZFRJS-MRXNPFEDSA-N 0 1 333.476 2.512 20 10 EFCDMN C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(C)Cc1ccccc1O ZINC000109770863 473120513 /nfs/dbraw/zinc/12/05/13/473120513.db2.gz ZUPLWGFUAGAUME-CYBMUJFWSA-N 0 1 342.395 2.622 20 10 EFCDMN COc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2O)c(OC)c1 ZINC000111235633 473197768 /nfs/dbraw/zinc/19/77/68/473197768.db2.gz OULTVLPUHVVVEF-CYBMUJFWSA-N 0 1 344.411 2.868 20 10 EFCDMN C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)N(C)Cc1ccccc1O ZINC000111235639 473197999 /nfs/dbraw/zinc/19/79/99/473197999.db2.gz VJPQWCXKQHAQJE-YOEHRIQHSA-N 0 1 340.423 2.853 20 10 EFCDMN COc1ccccc1N1CC[C@H](N(C)Cc2ccccc2O)C1=O ZINC000151257247 473432846 /nfs/dbraw/zinc/43/28/46/473432846.db2.gz NRQJWFQCCVXRFH-INIZCTEOSA-N 0 1 326.396 2.638 20 10 EFCDMN CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000185512043 473446814 /nfs/dbraw/zinc/44/68/14/473446814.db2.gz FKGZUQCNQGRLFD-JRKPZEMJSA-N 0 1 334.279 2.918 20 10 EFCDMN CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185511992 473446875 /nfs/dbraw/zinc/44/68/75/473446875.db2.gz FKGZUQCNQGRLFD-MWODSPESSA-N 0 1 334.279 2.918 20 10 EFCDMN COCCCN(C)CC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000185553466 473454963 /nfs/dbraw/zinc/45/49/63/473454963.db2.gz GKNYSFLEQOYBNP-GFCCVEGCSA-N 0 1 345.281 2.774 20 10 EFCDMN C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(Br)cc1[O-] ZINC000185639373 473474460 /nfs/dbraw/zinc/47/44/60/473474460.db2.gz MPDOOBFVVKCAIH-RNCFNFMXSA-N 0 1 332.263 2.673 20 10 EFCDMN C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccc(Br)cc1[O-] ZINC000186089244 473587731 /nfs/dbraw/zinc/58/77/31/473587731.db2.gz FDMSXKMRKIEOQU-KOLCDFICSA-N 0 1 339.233 2.569 20 10 EFCDMN COCCC(=O)N1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000186127925 473597045 /nfs/dbraw/zinc/59/70/45/473597045.db2.gz UZKFOMQIZDSVIJ-LBPRGKRZSA-N 0 1 340.851 2.724 20 10 EFCDMN CC[C@H]([NH2+]C[C@](C)(O)CCOC)c1cc(Br)ccc1[O-] ZINC000186195893 473612266 /nfs/dbraw/zinc/61/22/66/473612266.db2.gz QCKYKASSGFVVFY-DZGCQCFKSA-N 0 1 346.265 2.983 20 10 EFCDMN COc1cc(Br)cc(CN2CCCO[C@H](C)C2)c1O ZINC000179394802 473683492 /nfs/dbraw/zinc/68/34/92/473683492.db2.gz VBRMFIRDUMQRIW-SNVBAGLBSA-N 0 1 330.222 2.774 20 10 EFCDMN C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cc(Cl)ccc1[O-] ZINC000186375108 473663084 /nfs/dbraw/zinc/66/30/84/473663084.db2.gz NOSFBYKNYGWRKC-WCQYABFASA-N 0 1 327.808 2.618 20 10 EFCDMN COc1ccc(OC)c2c1CN(Cc1cccc(C)c1O)C[C@@H]2O ZINC000179613952 473698612 /nfs/dbraw/zinc/69/86/12/473698612.db2.gz QSKXNNGESDFMSC-HNNXBMFYSA-N 0 1 329.396 2.767 20 10 EFCDMN COc1cccc(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000179740577 473717465 /nfs/dbraw/zinc/71/74/65/473717465.db2.gz SMUOZBXMTGVMKB-ZDUSSCGKSA-N 0 1 336.432 2.747 20 10 EFCDMN CC[C@@H]([NH2+]CCCN1CCN(C)CC1)c1cccc(Cl)c1[O-] ZINC000287696010 473736411 /nfs/dbraw/zinc/73/64/11/473736411.db2.gz NKSJAUMKCLWOKQ-MRXNPFEDSA-N 0 1 325.884 2.724 20 10 EFCDMN O=C(c1ccccc1)N1CCCN(Cc2cc(F)ccc2O)CC1 ZINC000179937475 473758322 /nfs/dbraw/zinc/75/83/22/473758322.db2.gz WXMFOZFSKFATLL-UHFFFAOYSA-N 0 1 328.387 2.879 20 10 EFCDMN C[C@@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1ccc(F)c(F)c1O ZINC000187840999 473930275 /nfs/dbraw/zinc/93/02/75/473930275.db2.gz SSJWKBZMKKJWHG-LLVKDONJSA-N 0 1 347.365 2.780 20 10 EFCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)CSC ZINC000187912293 473941116 /nfs/dbraw/zinc/94/11/16/473941116.db2.gz WERQQPLIJPYIMZ-GFCCVEGCSA-N 0 1 334.279 2.701 20 10 EFCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)CSC ZINC000187912293 473941122 /nfs/dbraw/zinc/94/11/22/473941122.db2.gz WERQQPLIJPYIMZ-GFCCVEGCSA-N 0 1 334.279 2.701 20 10 EFCDMN Cc1ccc2nc(CNCc3ccc(N4CCOCC4)cc3)cn2c1 ZINC000264404638 473979943 /nfs/dbraw/zinc/97/99/43/473979943.db2.gz XMQZLUZFNWEJBN-UHFFFAOYSA-N 0 1 336.439 2.769 20 10 EFCDMN COC(=O)[C@H]1CCN(Cc2cc(Cl)cc(OC)c2O)C[C@H]1C ZINC000188109508 473985297 /nfs/dbraw/zinc/98/52/97/473985297.db2.gz JNXMCGNWZLHKCN-MFKMUULPSA-N 0 1 327.808 2.685 20 10 EFCDMN c1nnc([C@H](NCc2ccc(N3CCOCC3)cc2)c2ccccc2)[nH]1 ZINC000274857461 473991560 /nfs/dbraw/zinc/99/15/60/473991560.db2.gz QZHBQJWDFNCELI-LJQANCHMSA-N 0 1 349.438 2.521 20 10 EFCDMN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1sccc1CN(C)C ZINC000274903468 474006401 /nfs/dbraw/zinc/00/64/01/474006401.db2.gz GXAIJMNWPGBZLQ-NSHDSACASA-N 0 1 334.441 2.582 20 10 EFCDMN CCOc1cccc(CN2CCN(Cc3cccnc3)CC2)c1O ZINC000182053509 474089388 /nfs/dbraw/zinc/08/93/88/474089388.db2.gz VGGDJEFTJFVEMU-UHFFFAOYSA-N 0 1 327.428 2.504 20 10 EFCDMN O=C(c1ccncc1)N1CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000264987452 474163411 /nfs/dbraw/zinc/16/34/11/474163411.db2.gz WGLGJUJPXUUJCM-UHFFFAOYSA-N 0 1 345.830 2.835 20 10 EFCDMN CS(=O)(=O)Cc1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000264982279 474163523 /nfs/dbraw/zinc/16/35/23/474163523.db2.gz UTVUBJHFQUVCMX-UHFFFAOYSA-N 0 1 339.844 2.880 20 10 EFCDMN COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000289209915 474184134 /nfs/dbraw/zinc/18/41/34/474184134.db2.gz BXNKQJYSIHJLLG-CYBMUJFWSA-N 0 1 337.725 2.973 20 10 EFCDMN COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000289209915 474184140 /nfs/dbraw/zinc/18/41/40/474184140.db2.gz BXNKQJYSIHJLLG-CYBMUJFWSA-N 0 1 337.725 2.973 20 10 EFCDMN COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000289209915 474184146 /nfs/dbraw/zinc/18/41/46/474184146.db2.gz BXNKQJYSIHJLLG-CYBMUJFWSA-N 0 1 337.725 2.973 20 10 EFCDMN CC[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1nccn1C ZINC000182572763 474208971 /nfs/dbraw/zinc/20/89/71/474208971.db2.gz GITFHYRXLSKORA-LJQANCHMSA-N 0 1 342.487 2.870 20 10 EFCDMN C[C@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1nnc[nH]1 ZINC000182796530 474258012 /nfs/dbraw/zinc/25/80/12/474258012.db2.gz VEDZYLZYBDGEKH-AWEZNQCLSA-N 0 1 342.447 2.601 20 10 EFCDMN CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4cc(Cl)cc([N+](=O)[O-])c4[O-])[C@H]1[C@H]3C2 ZINC000289560558 474324552 /nfs/dbraw/zinc/32/45/52/474324552.db2.gz IZIRJTRKEATCRX-BUEXFPSZSA-N 0 1 338.791 2.809 20 10 EFCDMN CC[C@H]([NH2+]Cc1cc(Br)ccc1[O-])[C@@H](O)C(F)(F)F ZINC000270998342 474359826 /nfs/dbraw/zinc/35/98/26/474359826.db2.gz PPFOIBRGDHVGTC-GXSJLCMTSA-N 0 1 342.155 2.946 20 10 EFCDMN Cc1cc(C(=O)N2CCN(C)CC2(C)C)c(C)n1-c1ccccn1 ZINC000271012209 474367480 /nfs/dbraw/zinc/36/74/80/474367480.db2.gz HVQYDVFHZVJNKH-UHFFFAOYSA-N 0 1 326.444 2.655 20 10 EFCDMN Cc1nc2sccn2c1CN(C)Cc1cc2c(cc1O)OCO2 ZINC000271172412 474420689 /nfs/dbraw/zinc/42/06/89/474420689.db2.gz VSYPYXGNZDPAGJ-UHFFFAOYSA-N 0 1 331.397 2.771 20 10 EFCDMN Cc1cc2cn[nH]c2c(C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000266336857 474428637 /nfs/dbraw/zinc/42/86/37/474428637.db2.gz LBQUYSAVMIAYBL-UHFFFAOYSA-N 0 1 336.395 2.977 20 10 EFCDMN Cc1nnc(CC[NH2+]Cc2cc(Br)ccc2[O-])s1 ZINC000289940959 474495275 /nfs/dbraw/zinc/49/52/75/474495275.db2.gz UHYDIZYJFFTZMG-UHFFFAOYSA-N 0 1 328.235 2.647 20 10 EFCDMN C[C@H]1COCCN1c1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1 ZINC000276491563 474563624 /nfs/dbraw/zinc/56/36/24/474563624.db2.gz ARNMJWUJMADGKN-NSHDSACASA-N 0 1 346.358 2.714 20 10 EFCDMN CC[C@@H](C)c1nc([C@@H](C)NCc2cc(OC)c(OC)cc2O)n[nH]1 ZINC000276829221 474572450 /nfs/dbraw/zinc/57/24/50/474572450.db2.gz BIIZNMFGFPTLDL-GHMZBOCLSA-N 0 1 334.420 2.892 20 10 EFCDMN C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc(F)c(F)c1[O-] ZINC000276992139 474575918 /nfs/dbraw/zinc/57/59/18/474575918.db2.gz XPBVQMOLQJFDAU-KNXALSJPSA-N 0 1 340.414 2.699 20 10 EFCDMN C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000290563536 474577631 /nfs/dbraw/zinc/57/76/31/474577631.db2.gz SLYMRRFAMWQAKP-GWCFXTLKSA-N 0 1 327.812 2.726 20 10 EFCDMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCc2ccc(N(C)C)cc2)n[nH]1 ZINC000277131718 474578535 /nfs/dbraw/zinc/57/85/35/474578535.db2.gz CQDQKXCCAXADLH-STQMWFEESA-N 0 1 344.463 2.945 20 10 EFCDMN c1nnc([C@H](NCc2ccc(N3CCCC3)cc2)c2cccnc2)[nH]1 ZINC000284128039 474578959 /nfs/dbraw/zinc/57/89/59/474578959.db2.gz ODEVIPWFKOHNBJ-GOSISDBHSA-N 0 1 334.427 2.679 20 10 EFCDMN Cc1cc(O)c(C[N@@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1C ZINC000290999786 474590171 /nfs/dbraw/zinc/59/01/71/474590171.db2.gz ASTVDDFDZQYBDK-CYBMUJFWSA-N 0 1 344.377 2.900 20 10 EFCDMN Cc1cc(O)c(C[N@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1C ZINC000290999786 474590176 /nfs/dbraw/zinc/59/01/76/474590176.db2.gz ASTVDDFDZQYBDK-CYBMUJFWSA-N 0 1 344.377 2.900 20 10 EFCDMN Cc1cccc(CN2CCN(Cc3noc(C(C)(C)C)n3)CC2)c1O ZINC000271782032 474591106 /nfs/dbraw/zinc/59/11/06/474591106.db2.gz HTTVYGSYPGTCML-UHFFFAOYSA-N 0 1 344.459 2.699 20 10 EFCDMN C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cccc(F)c3O)CC2)C[C@H](C)O1 ZINC000272312905 474608644 /nfs/dbraw/zinc/60/86/44/474608644.db2.gz SALGQLYBCVUVOC-GASCZTMLSA-N 0 1 336.451 2.853 20 10 EFCDMN COc1ccc(N2CCN(Cc3ccc(CO)cc3)CC2)cc1F ZINC000272371627 474609903 /nfs/dbraw/zinc/60/99/03/474609903.db2.gz UOEJROULUQDVFN-UHFFFAOYSA-N 0 1 330.403 2.649 20 10 EFCDMN COCC[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278328179 474610897 /nfs/dbraw/zinc/61/08/97/474610897.db2.gz YYJZJNVPTGBQPR-UHFFFAOYSA-N 0 1 346.383 2.958 20 10 EFCDMN COCC[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278328179 474610901 /nfs/dbraw/zinc/61/09/01/474610901.db2.gz YYJZJNVPTGBQPR-UHFFFAOYSA-N 0 1 346.383 2.958 20 10 EFCDMN CC(C)(C)c1nc(CN(Cc2ccccc2O)C[C@H]2CCCO2)n[nH]1 ZINC000292979726 474746371 /nfs/dbraw/zinc/74/63/71/474746371.db2.gz QVXHEPAEQKPBLW-OAHLLOKOSA-N 0 1 344.459 2.989 20 10 EFCDMN CC(C)(C)c1nc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)n[nH]1 ZINC000292979716 474746688 /nfs/dbraw/zinc/74/66/88/474746688.db2.gz QVXHEPAEQKPBLW-HNNXBMFYSA-N 0 1 344.459 2.989 20 10 EFCDMN COCCN1CC[C@@H]([NH2+][C@H](C)c2ccc(Br)cc2[O-])C1 ZINC000273371169 474864805 /nfs/dbraw/zinc/86/48/05/474864805.db2.gz COAMEHXTKHVDCU-DGCLKSJQSA-N 0 1 343.265 2.526 20 10 EFCDMN Cc1cc(CN2CCC[C@H]2C(=O)NCc2ccco2)ccc1N(C)C ZINC000293263747 474897289 /nfs/dbraw/zinc/89/72/89/474897289.db2.gz XOQOPKYLJRANPG-IBGZPJMESA-N 0 1 341.455 2.935 20 10 EFCDMN C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cc(Br)ccc1[O-] ZINC000273443924 474900541 /nfs/dbraw/zinc/90/05/41/474900541.db2.gz DSVRCCMBRSHHQV-MEBBXXQBSA-N 0 1 344.249 2.593 20 10 EFCDMN C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000273473477 474916734 /nfs/dbraw/zinc/91/67/34/474916734.db2.gz KDTHKOJJMCVSSB-JJQCHNSYSA-N 0 1 334.279 2.962 20 10 EFCDMN C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc(Br)cc1[O-] ZINC000273514898 474939173 /nfs/dbraw/zinc/93/91/73/474939173.db2.gz SJGSOSIQENOMCM-MEBBXXQBSA-N 0 1 344.249 2.593 20 10 EFCDMN C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc(Br)cc1[O-] ZINC000273514850 474939552 /nfs/dbraw/zinc/93/95/52/474939552.db2.gz SJGSOSIQENOMCM-BMIGLBTASA-N 0 1 344.249 2.593 20 10 EFCDMN C[C@@H](C[S@](C)=O)N(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279556680 474979805 /nfs/dbraw/zinc/97/98/05/474979805.db2.gz AZRMLBKHSYYUEL-SAHAZLINSA-N 0 1 336.423 2.970 20 10 EFCDMN C[C@@H](N[C@@H](C)c1nncn1C)c1cc(Br)ccc1O ZINC000273614681 474990745 /nfs/dbraw/zinc/99/07/45/474990745.db2.gz WZWRDVAEBKIUOB-BDAKNGLRSA-N 0 1 325.210 2.695 20 10 EFCDMN C[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc2ccccc2c1[O-] ZINC000273621438 474995485 /nfs/dbraw/zinc/99/54/85/474995485.db2.gz ZDTHUWOUIHBWGS-DZGCQCFKSA-N 0 1 348.468 2.620 20 10 EFCDMN CC(C)n1nccc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000279838526 474996354 /nfs/dbraw/zinc/99/63/54/474996354.db2.gz HJPPEHZUFABTTP-UHFFFAOYSA-N 0 1 332.423 2.730 20 10 EFCDMN COc1cc(Cl)cc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)c1O ZINC000273734749 475034054 /nfs/dbraw/zinc/03/40/54/475034054.db2.gz KZNRVPAEQUEVRK-MFKMUULPSA-N 0 1 339.741 2.942 20 10 EFCDMN CN(Cc1cccs1)c1ccc(CNCc2cnnn2C)cc1 ZINC000294661547 475077932 /nfs/dbraw/zinc/07/79/32/475077932.db2.gz AKBASUBINGTLAX-UHFFFAOYSA-N 0 1 327.457 2.803 20 10 EFCDMN CN1CCCc2cc(CNC(=O)N[C@@H]3CCCc4cn[nH]c43)ccc21 ZINC000268935732 475082348 /nfs/dbraw/zinc/08/23/48/475082348.db2.gz GPQFGSLEPVMVME-MRXNPFEDSA-N 0 1 339.443 2.669 20 10 EFCDMN O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000294851396 475086776 /nfs/dbraw/zinc/08/67/76/475086776.db2.gz SAMLIOCFYUWIME-GXTWGEPZSA-N 0 1 330.815 2.827 20 10 EFCDMN CCCOc1ccc(CN[C@@H](c2nccn2C)C(C)(C)CO)c(O)c1 ZINC000295078560 475101838 /nfs/dbraw/zinc/10/18/38/475101838.db2.gz QBWIPDKDGDRXPK-KRWDZBQOSA-N 0 1 347.459 2.764 20 10 EFCDMN C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000295695586 475131717 /nfs/dbraw/zinc/13/17/17/475131717.db2.gz PCJMFGUBOJYYAI-NEPJUHHUSA-N 0 1 336.407 2.620 20 10 EFCDMN C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000295695586 475131725 /nfs/dbraw/zinc/13/17/25/475131725.db2.gz PCJMFGUBOJYYAI-NEPJUHHUSA-N 0 1 336.407 2.620 20 10 EFCDMN CC[C@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1cccc(Cl)c1[O-] ZINC000287572442 475200219 /nfs/dbraw/zinc/20/02/19/475200219.db2.gz GWQUXZRHCNYWNB-YOEHRIQHSA-N 0 1 339.911 2.970 20 10 EFCDMN Cc1cc(C[C@@H](C)NC(=O)NCc2c(C)c3ccccc3n2C)n[nH]1 ZINC000349562425 475976909 /nfs/dbraw/zinc/97/69/09/475976909.db2.gz DSDLJQDDMGORQQ-GFCCVEGCSA-N 0 1 339.443 2.949 20 10 EFCDMN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H](c3ccco3)C2)cc1 ZINC000374007869 476446808 /nfs/dbraw/zinc/44/68/08/476446808.db2.gz LKGHYYRJVVQGMI-QGZVFWFLSA-N 0 1 341.455 2.794 20 10 EFCDMN Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2[O-])cn1 ZINC000374258340 476465772 /nfs/dbraw/zinc/46/57/72/476465772.db2.gz VBHOZTNPKZZHPN-DOTOQJQBSA-N 0 1 335.835 2.867 20 10 EFCDMN Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[O-])cn1 ZINC000374258340 476465773 /nfs/dbraw/zinc/46/57/73/476465773.db2.gz VBHOZTNPKZZHPN-DOTOQJQBSA-N 0 1 335.835 2.867 20 10 EFCDMN NC(=O)[C@H]1c2ccccc2CCN1Cc1c(O)ccc(Cl)c1F ZINC000364333247 476521371 /nfs/dbraw/zinc/52/13/71/476521371.db2.gz SUCQOFSGIJBKMG-MRXNPFEDSA-N 0 1 334.778 2.769 20 10 EFCDMN O=C([C@@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1)N1CCCC1 ZINC000377849811 476612566 /nfs/dbraw/zinc/61/25/66/476612566.db2.gz AOQRLEVXYZOIKO-LLVKDONJSA-N 0 1 326.799 2.629 20 10 EFCDMN CC(C)[C@]1(CO)CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000378129281 476684303 /nfs/dbraw/zinc/68/43/03/476684303.db2.gz LPIBJWZGZFKMJN-OAHLLOKOSA-N 0 1 328.250 2.995 20 10 EFCDMN CC(C)[C@]1(CO)CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000378129281 476684307 /nfs/dbraw/zinc/68/43/07/476684307.db2.gz 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ZINC000295829309 535213958 /nfs/dbraw/zinc/21/39/58/535213958.db2.gz MLSHLEOXTCDRBF-UHFFFAOYSA-N 0 1 338.423 2.821 20 10 EFCDMN COC1CCN(c2ccc(CN3CCC[C@](F)(CO)C3)cc2)CC1 ZINC000296030590 536755582 /nfs/dbraw/zinc/75/55/82/536755582.db2.gz RXUGQRPFBDVACC-LJQANCHMSA-N 0 1 336.451 2.598 20 10 EFCDMN C[C@H]1COCC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000753987014 575371067 /nfs/dbraw/zinc/37/10/67/575371067.db2.gz QNUHENCCGHOBGE-CQSZACIVSA-N 0 1 341.407 2.797 20 10 EFCDMN Cc1cc(C)c(O)c(CN(C)[C@@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000754726629 575478286 /nfs/dbraw/zinc/47/82/86/575478286.db2.gz UDPAGTWARACAJT-CYBMUJFWSA-N 0 1 330.350 2.604 20 10 EFCDMN C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc(Br)cc1[O-] ZINC000756531606 575756302 /nfs/dbraw/zinc/75/63/02/575756302.db2.gz AJNMZGKIRZUSHE-NEPJUHHUSA-N 0 1 343.265 2.526 20 10 EFCDMN C[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1cc(Br)ccc1[O-] ZINC000756545502 575759010 /nfs/dbraw/zinc/75/90/10/575759010.db2.gz MRKPSKJZVQSMOA-VXGBXAGGSA-N 0 1 343.265 2.526 20 10 EFCDMN C[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000756561315 575762609 /nfs/dbraw/zinc/76/26/09/575762609.db2.gz ARINEWBTOQSZDU-NEPJUHHUSA-N 0 1 344.249 2.858 20 10 EFCDMN C[C@H]([NH2+]CCOC[C@H]1CCOC1)c1ccc(Br)cc1[O-] ZINC000756562628 575762876 /nfs/dbraw/zinc/76/28/76/575762876.db2.gz HCLGGSZHWSWETR-RYUDHWBXSA-N 0 1 344.249 2.858 20 10 EFCDMN COCCOC[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000756731435 575782001 /nfs/dbraw/zinc/78/20/01/575782001.db2.gz AKRMQSPXKMSZBL-GHMZBOCLSA-N 0 1 332.238 2.857 20 10 EFCDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])[C@H]1CN(C)CCO1 ZINC000756756970 575784439 /nfs/dbraw/zinc/78/44/39/575784439.db2.gz BDLQHRRAMSGUNN-FIXISWKDSA-N 0 1 343.265 2.524 20 10 EFCDMN COc1cc(C)nc(CN(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000757080217 575819344 /nfs/dbraw/zinc/81/93/44/575819344.db2.gz CQCFNTGLMFVSFI-UHFFFAOYSA-N 0 1 341.455 2.867 20 10 EFCDMN Cc1nc(CC[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])n[nH]1 ZINC000757640560 575846925 /nfs/dbraw/zinc/84/69/25/575846925.db2.gz XZZZLOPAPIBNKR-ZETCQYMHSA-N 0 1 343.200 2.614 20 10 EFCDMN Cc1nnc(CC[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])[nH]1 ZINC000757640560 575846926 /nfs/dbraw/zinc/84/69/26/575846926.db2.gz XZZZLOPAPIBNKR-ZETCQYMHSA-N 0 1 343.200 2.614 20 10 EFCDMN C[C@H]([NH2+]C1COC(C)(C)OC1)c1ccc(Br)cc1[O-] ZINC000757705546 575850927 /nfs/dbraw/zinc/85/09/27/575850927.db2.gz OSOKYNIOOGBIJI-VIFPVBQESA-N 0 1 330.222 2.957 20 10 EFCDMN COc1ccc(CN(C)Cc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000757917651 575855749 /nfs/dbraw/zinc/85/57/49/575855749.db2.gz NCIILWBRSPLGDG-UHFFFAOYSA-N 0 1 345.418 2.698 20 10 EFCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)CN(C)[C@H]1CCSC1 ZINC000758003160 575857778 /nfs/dbraw/zinc/85/77/78/575857778.db2.gz KQNCJDQIQCIUPH-KRWDZBQOSA-N 0 1 335.517 2.538 20 10 EFCDMN C[C@@H]1CCN(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)C1 ZINC000758163194 575861551 /nfs/dbraw/zinc/86/15/51/575861551.db2.gz OWMYSKJUSCBPKY-SSDOTTSWSA-N 0 1 325.217 2.698 20 10 EFCDMN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000758774358 575877334 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CN(C)c1ccc(CN(C(=O)CN(C)[C@@H]2CCSC2)C2CC2)cc1 ZINC000760888168 576085210 /nfs/dbraw/zinc/08/52/10/576085210.db2.gz RNRCWTLWHJWSMO-GOSISDBHSA-N 0 1 347.528 2.681 20 10 EFCDMN CCN(CC)Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)o1 ZINC000762263187 576282589 /nfs/dbraw/zinc/28/25/89/576282589.db2.gz ATHXVUNKPRWBSV-UHFFFAOYSA-N 0 1 332.400 2.505 20 10 EFCDMN CO[C@@]1(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])CCOC1 ZINC000763572741 576381635 /nfs/dbraw/zinc/38/16/35/576381635.db2.gz OKTRXGRMQVOFCU-IINYFYTJSA-N 0 1 330.222 2.611 20 10 EFCDMN COc1cc(Br)cc(CNCc2ccc(F)cn2)c1O ZINC000763519573 576379954 /nfs/dbraw/zinc/37/99/54/576379954.db2.gz UHGRNKVOMOSMBO-UHFFFAOYSA-N 0 1 341.180 2.987 20 10 EFCDMN Cn1ncc(NCc2cccc(Br)c2O)c(Cl)c1=O ZINC000764935358 576526295 /nfs/dbraw/zinc/52/62/95/576526295.db2.gz RVPLUXAWEFIJMB-UHFFFAOYSA-N 0 1 344.596 2.514 20 10 EFCDMN COc1ccc(N2CCC(NCc3ncc(Cl)n3C)CC2)cc1 ZINC000765625806 577060575 /nfs/dbraw/zinc/06/05/75/577060575.db2.gz BNJPCQRCBWIOPK-UHFFFAOYSA-N 0 1 334.851 2.841 20 10 EFCDMN CCN1C[C@@H](C)N(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1C ZINC000765660972 577063728 /nfs/dbraw/zinc/06/37/28/577063728.db2.gz WQBIKBXXXUKJMH-DLBZAZTESA-N 0 1 344.503 2.911 20 10 EFCDMN C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765770884 577074718 /nfs/dbraw/zinc/07/47/18/577074718.db2.gz RUZCMJSARLUVQO-GHMZBOCLSA-N 0 1 341.249 2.644 20 10 EFCDMN CCN1C[C@@H](C)N(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@H]1C ZINC000766250924 577127239 /nfs/dbraw/zinc/12/72/39/577127239.db2.gz LUWPDQXVVGKYEA-HZPDHXFCSA-N 0 1 344.503 2.693 20 10 EFCDMN CS(=O)(=O)[C@@H]1CCCCN(Cc2cc3c(cc2O)CCCC3)C1 ZINC000766666711 577175964 /nfs/dbraw/zinc/17/59/64/577175964.db2.gz FIDOIEHUQHZXIR-QGZVFWFLSA-N 0 1 337.485 2.670 20 10 EFCDMN C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccn1 ZINC000766726633 577179873 /nfs/dbraw/zinc/17/98/73/577179873.db2.gz VSSYADKEDJDGLQ-WBVHZDCISA-N 0 1 338.455 2.634 20 10 EFCDMN COc1cc(S(=O)(=O)Nc2ccc(O)cc2C)cnc1Cl ZINC000767458198 577209161 /nfs/dbraw/zinc/20/91/61/577209161.db2.gz 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ZINC000164284202 1268703022 /nfs/dbraw/zinc/70/30/22/1268703022.db2.gz UHMOEUPEDQBFOK-UHFFFAOYSA-N 0 1 329.444 2.932 20 10 EFCDMN COC[C@@H]1CC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000739869317 1268766748 /nfs/dbraw/zinc/76/67/48/1268766748.db2.gz HALWSHFVWUBCNC-CQSZACIVSA-N 0 1 341.407 2.797 20 10 EFCDMN [O-]c1cc(Br)ccc1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000825173763 1278435101 /nfs/dbraw/zinc/43/51/01/1278435101.db2.gz RLKCAJWREDIASZ-UHFFFAOYSA-N 0 1 349.219 2.974 20 10 EFCDMN COc1ccc(CNC(=O)C[NH2+]Cc2cc(Cl)c(C)cc2[O-])cc1 ZINC000825160774 1278456414 /nfs/dbraw/zinc/45/64/14/1278456414.db2.gz WFLPPJRZQRZXBT-UHFFFAOYSA-N 0 1 348.830 2.769 20 10 EFCDMN O=C(C[NH2+]Cc1ccc(Br)cc1[O-])NC1CCCCC1 ZINC000825222594 1278468161 /nfs/dbraw/zinc/46/81/61/1278468161.db2.gz KDZNDCDZVYEGRV-UHFFFAOYSA-N 0 1 341.249 2.693 20 10 EFCDMN CO[C@@H](C[NH2+]Cc1ccc(Br)cc1[O-])C(F)(F)F ZINC000825254249 1278487114 /nfs/dbraw/zinc/48/71/14/1278487114.db2.gz OAQPENLVQKGGKR-JTQLQIEISA-N 0 1 328.128 2.822 20 10 EFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000825255275 1278487911 /nfs/dbraw/zinc/48/79/11/1278487911.db2.gz ZHWLPXZOCVVYDF-CQSZACIVSA-N 0 1 325.250 2.729 20 10 EFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)cc1Cl ZINC000825258634 1278488347 /nfs/dbraw/zinc/48/83/47/1278488347.db2.gz CQDVILHJZFSLML-NSHDSACASA-N 0 1 336.741 2.607 20 10 EFCDMN [O-]c1cc(Br)ccc1C[NH2+]CCCOC[C@@H]1CCOC1 ZINC000825303590 1278499394 /nfs/dbraw/zinc/49/93/94/1278499394.db2.gz KARACEXNQVMFKM-LBPRGKRZSA-N 0 1 344.249 2.688 20 10 EFCDMN COCCOCCCC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000701060251 1269905492 /nfs/dbraw/zinc/90/54/92/1269905492.db2.gz HUNZJFGPOQCSTD-UHFFFAOYSA-N 0 1 332.238 2.688 20 10 EFCDMN Cc1cc(C(=O)N2CCc3[nH]nnc3C2)c(C)n1-c1cccc(C)c1 ZINC000742203652 1269934201 /nfs/dbraw/zinc/93/42/01/1269934201.db2.gz MLHHOLNERDKSLU-UHFFFAOYSA-N 0 1 335.411 2.719 20 10 EFCDMN Cc1cc([O-])c(C[N@@H+]2CCOCC3(CCOCC3)C2)cc1Cl ZINC000825501857 1278573131 /nfs/dbraw/zinc/57/31/31/1278573131.db2.gz SGBLYOKQTFMSHS-UHFFFAOYSA-N 0 1 325.836 2.983 20 10 EFCDMN Cc1cc([O-])c(C[N@H+]2CCOCC3(CCOCC3)C2)cc1Cl ZINC000825501857 1278573143 /nfs/dbraw/zinc/57/31/43/1278573143.db2.gz SGBLYOKQTFMSHS-UHFFFAOYSA-N 0 1 325.836 2.983 20 10 EFCDMN CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825502577 1278574467 /nfs/dbraw/zinc/57/44/67/1278574467.db2.gz YRQDGWOOVPUUCC-ZJUUUORDSA-N 0 1 330.222 2.832 20 10 EFCDMN C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000702603460 1271555548 /nfs/dbraw/zinc/55/55/48/1271555548.db2.gz NDVGXCUEBIAPDZ-OXQOHEQNSA-N 0 1 326.440 2.680 20 10 EFCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000785591322 1275123197 /nfs/dbraw/zinc/12/31/97/1275123197.db2.gz GVHDYIVNWUTQHX-UHFFFAOYSA-N 0 1 339.848 2.629 20 10 EFCDMN C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000785988761 1275267086 /nfs/dbraw/zinc/26/70/86/1275267086.db2.gz NSAFBRCBGVRPPS-BREBYQMCSA-N 0 1 328.796 2.935 20 10 EFCDMN COc1ccc(N(C)CCN(C)Cc2cc(OC)cc(C)n2)cc1 ZINC000844402475 1278954149 /nfs/dbraw/zinc/95/41/49/1278954149.db2.gz YYPJMPHBXLEYMW-UHFFFAOYSA-N 0 1 329.444 2.975 20 10 EFCDMN COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])[C@@H]1C ZINC000787326814 1275757600 /nfs/dbraw/zinc/75/76/00/1275757600.db2.gz KDRLTYKOYUFKRF-RNCFNFMXSA-N 0 1 325.792 2.632 20 10 EFCDMN COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])[C@@H]1C ZINC000787326814 1275757603 /nfs/dbraw/zinc/75/76/03/1275757603.db2.gz KDRLTYKOYUFKRF-RNCFNFMXSA-N 0 1 325.792 2.632 20 10 EFCDMN COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])[C@H]1C ZINC000787326815 1275758304 /nfs/dbraw/zinc/75/83/04/1275758304.db2.gz KDRLTYKOYUFKRF-TVQRCGJNSA-N 0 1 325.792 2.632 20 10 EFCDMN COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])[C@H]1C ZINC000787326815 1275758310 /nfs/dbraw/zinc/75/83/10/1275758310.db2.gz KDRLTYKOYUFKRF-TVQRCGJNSA-N 0 1 325.792 2.632 20 10 EFCDMN CN1CCCC[C@H]1c1ccc(NCC(=O)c2ccc(O)c(O)c2)nc1 ZINC001170316697 1279009254 /nfs/dbraw/zinc/00/92/54/1279009254.db2.gz YXXXLBYMSOLGBG-HNNXBMFYSA-N 0 1 341.411 2.944 20 10 EFCDMN C[N@@H+]1CC[C@H](c2ccc(NCC(=O)c3ccc([O-])c(O)c3)cc2)C1 ZINC001170320731 1279012916 /nfs/dbraw/zinc/01/29/16/1279012916.db2.gz LCLXGOCWERFUOR-HNNXBMFYSA-N 0 1 326.396 2.812 20 10 EFCDMN C[N@H+]1CC[C@H](c2ccc(NCC(=O)c3ccc([O-])c(O)c3)cc2)C1 ZINC001170320731 1279012924 /nfs/dbraw/zinc/01/29/24/1279012924.db2.gz LCLXGOCWERFUOR-HNNXBMFYSA-N 0 1 326.396 2.812 20 10 EFCDMN CC(=O)c1cc(O)ccc1NS(=O)(=O)C1=Cc2ccccc2OC1 ZINC000788752393 1276289353 /nfs/dbraw/zinc/28/93/53/1276289353.db2.gz AJFLXVTYCWRDCU-UHFFFAOYSA-N 0 1 345.376 2.770 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)c1O ZINC000817874746 1276355429 /nfs/dbraw/zinc/35/54/29/1276355429.db2.gz PZNDFDDJALFTBB-SKDRFNHKSA-N 0 1 325.792 2.791 20 10 EFCDMN C[C@H]1C[C@H](C(=O)[O-])C[N@H+](Cc2cccc(Br)c2O)C1 ZINC000817882104 1276360465 /nfs/dbraw/zinc/36/04/65/1276360465.db2.gz YKGYMWFLFUWCIR-ONGXEEELSA-N 0 1 328.206 2.697 20 10 EFCDMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000817882104 1276360473 /nfs/dbraw/zinc/36/04/73/1276360473.db2.gz YKGYMWFLFUWCIR-ONGXEEELSA-N 0 1 328.206 2.697 20 10 EFCDMN COc1ccc(N2CC[C@H](CNCc3cn(C(C)(C)C)nn3)C2)cc1 ZINC000818222800 1276493331 /nfs/dbraw/zinc/49/33/31/1276493331.db2.gz WCDGBHOPHDFEAT-OAHLLOKOSA-N 0 1 343.475 2.658 20 10 EFCDMN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccnc(CN)c1 ZINC000818607777 1276545523 /nfs/dbraw/zinc/54/55/23/1276545523.db2.gz CDBGADGFBXIUOZ-UHFFFAOYSA-N 0 1 326.444 2.657 20 10 EFCDMN CC[C@@H]1CN(C)CCN1C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000818978711 1276560842 /nfs/dbraw/zinc/56/08/42/1276560842.db2.gz ZGXYGRBCHZVYFN-MRXNPFEDSA-N 0 1 326.444 2.655 20 10 EFCDMN O=C1CCC[C@@H]1[C@@H]1COCCN1Cc1cc(Cl)cc(F)c1O ZINC000789566309 1276816554 /nfs/dbraw/zinc/81/65/54/1276816554.db2.gz LKWSYINKVXCBKJ-OCCSQVGLSA-N 0 1 327.783 2.755 20 10 EFCDMN COc1ccc2ccc(O)c(C[N@H+]3CCC[C@H](n4ccnn4)C3)c2c1 ZINC000819896307 1276937692 /nfs/dbraw/zinc/93/76/92/1276937692.db2.gz FWWUXEKWWWEBHG-HNNXBMFYSA-N 0 1 338.411 2.983 20 10 EFCDMN Cc1cc(CN(C)CC(=O)NCc2cccs2)ccc1N(C)C ZINC000815048003 1287266319 /nfs/dbraw/zinc/26/63/19/1287266319.db2.gz NLEHSBKGMTULKV-UHFFFAOYSA-N 0 1 331.485 2.871 20 10 EFCDMN CCc1ccc([C@H](CNC(=O)c2c(F)ccc(O)c2[O-])[NH+](C)C)cc1 ZINC000789946254 1277111468 /nfs/dbraw/zinc/11/14/68/1277111468.db2.gz BWWVMFIYQVIFDH-HNNXBMFYSA-N 0 1 346.402 2.832 20 10 EFCDMN O=C(Nc1cccc(N2CCCC2=O)c1)c1c(F)ccc(O)c1O ZINC000789947401 1277111991 /nfs/dbraw/zinc/11/19/91/1277111991.db2.gz VKFJNMGOIZMSHY-UHFFFAOYSA-N 0 1 330.315 2.616 20 10 EFCDMN COc1cc(NC(=O)c2c(F)ccc(O)c2O)cc(OC)c1OC ZINC000789946298 1277112711 /nfs/dbraw/zinc/11/27/11/1277112711.db2.gz DBYHQRWVUUPUMY-UHFFFAOYSA-N 0 1 337.303 2.515 20 10 EFCDMN COCCOc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1F ZINC000790069758 1277204597 /nfs/dbraw/zinc/20/45/97/1277204597.db2.gz RTPFSKOZSMHOCR-UHFFFAOYSA-N 0 1 339.294 2.654 20 10 EFCDMN O=C(Nc1n[nH]c(-c2ccccc2Cl)n1)c1c(F)ccc(O)c1O ZINC000790069186 1277207306 /nfs/dbraw/zinc/20/73/06/1277207306.db2.gz NETLEMZGOWGMQZ-UHFFFAOYSA-N 0 1 348.721 2.928 20 10 EFCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(COC)cc1 ZINC000790411651 1277521925 /nfs/dbraw/zinc/52/19/25/1277521925.db2.gz LNZPFDQGPXYVEA-UHFFFAOYSA-N 0 1 337.397 2.738 20 10 EFCDMN Cc1cc(CN(C)CC(=O)NCc2ccccc2)ccc1N(C)C ZINC000815071412 1287297325 /nfs/dbraw/zinc/29/73/25/1287297325.db2.gz JXGQDQFQWMDWHV-UHFFFAOYSA-N 0 1 325.456 2.809 20 10 EFCDMN Cc1cc(C)nc(N2CCN(Cc3ccc(N(C)C)c(C)c3)CC2)n1 ZINC000815075128 1287301741 /nfs/dbraw/zinc/30/17/41/1287301741.db2.gz OXRMNHSQZULGOW-UHFFFAOYSA-N 0 1 339.487 2.790 20 10 EFCDMN Cc1cc(CN2CCN(c3cncc(F)c3)CC2)ccc1N(C)C ZINC000815078826 1287303870 /nfs/dbraw/zinc/30/38/70/1287303870.db2.gz HTLRXPBNSMTMBC-UHFFFAOYSA-N 0 1 328.435 2.917 20 10 EFCDMN CN1CCN(CCC(C)(C)[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000790992269 1277895172 /nfs/dbraw/zinc/89/51/72/1277895172.db2.gz WEKXUAVYSFKKAP-UHFFFAOYSA-N 0 1 343.874 2.690 20 10 EFCDMN Cc1cc(CN2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)ccc1N(C)C ZINC000815104363 1287326267 /nfs/dbraw/zinc/32/62/67/1287326267.db2.gz IUBKNXZUEDEVLH-SFHVURJKSA-N 0 1 344.503 2.639 20 10 EFCDMN O=S1(=O)CCC[C@H](C[N@@H+](Cc2ccccc2[O-])C2CCCC2)C1 ZINC000792868367 1279202986 /nfs/dbraw/zinc/20/29/86/1279202986.db2.gz UMGCZSGFPNDGPH-OAHLLOKOSA-N 0 1 337.485 2.962 20 10 EFCDMN O=S1(=O)CCC[C@H](C[N@H+](Cc2ccccc2[O-])C2CCCC2)C1 ZINC000792868367 1279202993 /nfs/dbraw/zinc/20/29/93/1279202993.db2.gz UMGCZSGFPNDGPH-OAHLLOKOSA-N 0 1 337.485 2.962 20 10 EFCDMN CC(C)C(=O)NCCN(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792841846 1279211948 /nfs/dbraw/zinc/21/19/48/1279211948.db2.gz OIBDZYWPNNOLOU-UHFFFAOYSA-N 0 1 345.409 2.975 20 10 EFCDMN CC(C)n1nccc1CNCc1ccc(N2CCC(CO)CC2)cc1 ZINC000792931051 1279283311 /nfs/dbraw/zinc/28/33/11/1279283311.db2.gz RUDPCHXTIJTQEA-UHFFFAOYSA-N 0 1 342.487 2.963 20 10 EFCDMN Cc1ncc2n1CCN(Cc1cc(Br)c(F)cc1O)C2 ZINC001144294145 1279377634 /nfs/dbraw/zinc/37/76/34/1279377634.db2.gz YKYAZLUSBBOQEZ-UHFFFAOYSA-N 0 1 340.196 2.815 20 10 EFCDMN O=C1CCCN(Cc2cc(Br)c(F)cc2O)C[C@@H]1F ZINC001144298315 1279385165 /nfs/dbraw/zinc/38/51/65/1279385165.db2.gz BJJYMLACYPLXAM-NSHDSACASA-N 0 1 334.160 2.797 20 10 EFCDMN C[C@H]1CCC[N@@H+](Cc2cc(Br)c(F)cc2[O-])[C@@H]1CO ZINC001144298324 1279385631 /nfs/dbraw/zinc/38/56/31/1279385631.db2.gz BKDZWMAUOHULIF-TVQRCGJNSA-N 0 1 332.213 2.887 20 10 EFCDMN C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1cc(Br)c(F)cc1[O-] ZINC001144299149 1279386845 /nfs/dbraw/zinc/38/68/45/1279386845.db2.gz QKMCUOCROFXNPV-ZJUUUORDSA-N 0 1 332.213 2.887 20 10 EFCDMN [O-]c1cc(F)c(Br)cc1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC001144299945 1279388355 /nfs/dbraw/zinc/38/83/55/1279388355.db2.gz NBBBMADIMWQDSC-LLVKDONJSA-N 0 1 329.213 2.574 20 10 EFCDMN Oc1cc(F)c(Br)cc1CN1CCc2ncncc2C1 ZINC001144299671 1279388822 /nfs/dbraw/zinc/38/88/22/1279388822.db2.gz FWHVDIUQDUUDTL-UHFFFAOYSA-N 0 1 338.180 2.642 20 10 EFCDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001144306580 1279403385 /nfs/dbraw/zinc/40/33/85/1279403385.db2.gz HTJDVYXZPUKUCJ-OTYXRUKQSA-N 0 1 330.197 2.905 20 10 EFCDMN C[C@@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H](C2CC2)O1 ZINC000793214703 1279443219 /nfs/dbraw/zinc/44/32/19/1279443219.db2.gz QJDZEXTUPFCSHD-OTYXRUKQSA-N 0 1 326.780 2.953 20 10 EFCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H](C2CC2)O1 ZINC000793214703 1279443228 /nfs/dbraw/zinc/44/32/28/1279443228.db2.gz QJDZEXTUPFCSHD-OTYXRUKQSA-N 0 1 326.780 2.953 20 10 EFCDMN CCS(=O)(=O)c1ccc(CNCc2cccc(OC)c2O)s1 ZINC000793207913 1279466680 /nfs/dbraw/zinc/46/66/80/1279466680.db2.gz ULPLGJXQHRSOPT-UHFFFAOYSA-N 0 1 341.454 2.546 20 10 EFCDMN Cc1ccc(O)c(CN[C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000793265402 1279486835 /nfs/dbraw/zinc/48/68/35/1279486835.db2.gz INVATHBHTRVFQN-OAHLLOKOSA-N 0 1 349.228 2.779 20 10 EFCDMN CC(C)([NH2+]Cc1cc(Br)ccc1[O-])C(=O)N1CCCC1 ZINC000793395286 1279627702 /nfs/dbraw/zinc/62/77/02/1279627702.db2.gz JEGKOMRAJGCJGM-UHFFFAOYSA-N 0 1 341.249 2.645 20 10 EFCDMN Cc1cc([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)n(C)n1 ZINC000793524841 1279716326 /nfs/dbraw/zinc/71/63/26/1279716326.db2.gz USYRUAWEIIONJZ-AWEZNQCLSA-N 0 1 332.423 2.555 20 10 EFCDMN Cc1cc(CN2CC[C@H](CS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000793700946 1279832630 /nfs/dbraw/zinc/83/26/30/1279832630.db2.gz BKECVABILBBNGY-AWEZNQCLSA-N 0 1 339.501 2.865 20 10 EFCDMN COC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@H]1C1CC1 ZINC000846119257 1280025858 /nfs/dbraw/zinc/02/58/58/1280025858.db2.gz CIMRUAWTSPYIRC-NWDGAFQWSA-N 0 1 327.783 2.816 20 10 EFCDMN CCC[C@@]1(C)CCC[N@@H+](Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000846248976 1280085626 /nfs/dbraw/zinc/08/56/26/1280085626.db2.gz KPUVZTDMAYSKIA-KRWDZBQOSA-N 0 1 332.404 2.535 20 10 EFCDMN CCC1(CC)CCC[N@@H+](Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)CC1 ZINC000846259199 1280088455 /nfs/dbraw/zinc/08/84/55/1280088455.db2.gz MTISPUDNDYWHTJ-UHFFFAOYSA-N 0 1 346.431 2.925 20 10 EFCDMN CC(C)CC[C@@H]1CCC[N@H+]1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846254464 1280088569 /nfs/dbraw/zinc/08/85/69/1280088569.db2.gz LATGOPGBUURRQT-ZDUSSCGKSA-N 0 1 332.404 2.534 20 10 EFCDMN CCN(C)c1ccc(C[N@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC000846277640 1280095351 /nfs/dbraw/zinc/09/53/51/1280095351.db2.gz JMPWAZZSUNEUOS-HNNXBMFYSA-N 0 1 330.350 2.982 20 10 EFCDMN CCOC(=O)CCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804890503 1280397246 /nfs/dbraw/zinc/39/72/46/1280397246.db2.gz RCDPETYUNLSORL-UHFFFAOYSA-N 0 1 349.214 2.842 20 10 EFCDMN C[C@H](Cn1cccn1)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804950926 1280406957 /nfs/dbraw/zinc/40/69/57/1280406957.db2.gz LFKLQZYRCIVTOC-SECBINFHSA-N 0 1 343.214 2.783 20 10 EFCDMN O=C(NCCOCC1CC1)NCc1cc(Cl)cc(Cl)c1O ZINC000805091875 1280449904 /nfs/dbraw/zinc/44/99/04/1280449904.db2.gz PPJQTDJNVZJSCP-UHFFFAOYSA-N 0 1 333.215 2.925 20 10 EFCDMN CO[C@H](C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)[O-])C1CC1 ZINC000846779217 1280482144 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CC[N@@H+](Cc1ccccc1O)[C@@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 ZINC001171718447 1285738049 /nfs/dbraw/zinc/73/80/49/1285738049.db2.gz UXXHHPNHQRWMRD-CQSZACIVSA-N 0 1 334.416 2.750 20 10 EFCDMN CCOC(=O)C1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000813685176 1286063713 /nfs/dbraw/zinc/06/37/13/1286063713.db2.gz UDMAZXZUZQRJJF-UHFFFAOYSA-N 0 1 332.183 2.659 20 10 EFCDMN CCCN(CC(N)=O)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000814177994 1286361156 /nfs/dbraw/zinc/36/11/56/1286361156.db2.gz YBDRPDJRWBWLPX-UHFFFAOYSA-N 0 1 337.467 2.947 20 10 EFCDMN COc1cc(Br)cc(CNCc2cccc(F)n2)c1O ZINC000747937162 1286536870 /nfs/dbraw/zinc/53/68/70/1286536870.db2.gz FSZHSIGGAVAEPP-UHFFFAOYSA-N 0 1 341.180 2.987 20 10 EFCDMN COc1ccc(N2CCCN(Cc3n[nH]c(C(C)(C)C)n3)CC2)cc1 ZINC000814618948 1286826767 /nfs/dbraw/zinc/82/67/67/1286826767.db2.gz IZKRLQCYFMNSSW-UHFFFAOYSA-N 0 1 343.475 2.823 20 10 EFCDMN COCCN(CC(=O)OC(C)(C)C)Cc1cc(Cl)c(F)cc1O ZINC000816499409 1288170998 /nfs/dbraw/zinc/17/09/98/1288170998.db2.gz PQOYNMYOZZGEGC-UHFFFAOYSA-N 0 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COC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001233078854 1312850797 /nfs/dbraw/zinc/85/07/97/1312850797.db2.gz LXELSLUJKXJHIW-HNNXBMFYSA-N 0 1 335.350 2.887 20 10 EFCDMN COc1cccc(O[C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)n1 ZINC001233079964 1312851028 /nfs/dbraw/zinc/85/10/28/1312851028.db2.gz OKJYQIIBSOKTBB-GFCCVEGCSA-N 0 1 336.338 2.727 20 10 EFCDMN Cc1cnc(NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)s1 ZINC000877978747 1291435419 /nfs/dbraw/zinc/43/54/19/1291435419.db2.gz JKNKXVOXZJSYES-UHFFFAOYSA-N 0 1 345.472 2.525 20 10 EFCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@H](C)[C@H]2CO)cc1Br ZINC001233134849 1312863296 /nfs/dbraw/zinc/86/32/96/1312863296.db2.gz GFBOKRJZCSLGIP-GXFFZTMASA-N 0 1 344.249 2.756 20 10 EFCDMN COc1cc([O-])c(C[N@H+]2CCC[C@H](C)[C@H]2CO)cc1Br ZINC001233134849 1312863299 /nfs/dbraw/zinc/86/32/99/1312863299.db2.gz GFBOKRJZCSLGIP-GXFFZTMASA-N 0 1 344.249 2.756 20 10 EFCDMN COc1cc(O)c(CN2CCC[C@]3(CCO3)C2)cc1Br ZINC001233140325 1312864947 /nfs/dbraw/zinc/86/49/47/1312864947.db2.gz 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EFCDMN [O-]c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001233455436 1312936040 /nfs/dbraw/zinc/93/60/40/1312936040.db2.gz LDCWBECFOHUAQP-CYBMUJFWSA-N 0 1 339.317 2.854 20 10 EFCDMN [O-]c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001233455436 1312936044 /nfs/dbraw/zinc/93/60/44/1312936044.db2.gz LDCWBECFOHUAQP-CYBMUJFWSA-N 0 1 339.317 2.854 20 10 EFCDMN Cc1ccc(C)c(N2CCN(Cc3cc(O)c(O)cc3O)CC2)c1 ZINC001233482279 1312939646 /nfs/dbraw/zinc/93/96/46/1312939646.db2.gz HYIXYAHLVFPUJA-UHFFFAOYSA-N 0 1 328.412 2.742 20 10 EFCDMN CC(C)(C)OC(=O)NCC[C@@H]1CN(Cc2ccccc2O)CCO1 ZINC001203547765 1312952673 /nfs/dbraw/zinc/95/26/73/1312952673.db2.gz XEBSUTJDJYOTOQ-OAHLLOKOSA-N 0 1 336.432 2.508 20 10 EFCDMN CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)OCCN2Cc1ccccc1O ZINC001203550389 1312953367 /nfs/dbraw/zinc/95/33/67/1312953367.db2.gz UIHFNLGWVAJSTB-RDJZCZTQSA-N 0 1 348.443 2.602 20 10 EFCDMN CC(C)n1nc(CN(C)C)c2c1CN(Cc1ccccc1O)CC2 ZINC001203551722 1312954140 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CCOc1cccc(CN2CCN(c3ccc(C)cn3)CC2)c1O ZINC001203609488 1312970241 /nfs/dbraw/zinc/97/02/41/1312970241.db2.gz VJXDSJWASCJMEJ-UHFFFAOYSA-N 0 1 327.428 2.817 20 10 EFCDMN C[C@@H]1CC/C(=C/C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000881850751 1293029634 /nfs/dbraw/zinc/02/96/34/1293029634.db2.gz FJXCZMDQVUXWBS-VVZNPABPSA-N 0 1 327.472 2.801 20 10 EFCDMN CC[C@H]1CCC[C@H]1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000881853257 1293030311 /nfs/dbraw/zinc/03/03/11/1293030311.db2.gz ORQHFLMGOYWMHZ-PKOBYXMFSA-N 0 1 329.488 2.881 20 10 EFCDMN COc1ccc(CN2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)c(O)c1 ZINC001203621198 1312973467 /nfs/dbraw/zinc/97/34/67/1312973467.db2.gz PEVCCTQQQUCHIL-UHFFFAOYSA-N 0 1 348.443 2.844 20 10 EFCDMN CCN1CCN(c2ccc(CNc3ncncc3C)cc2F)CC1 ZINC000881953027 1293061241 /nfs/dbraw/zinc/06/12/41/1293061241.db2.gz VGIGJRHNOGYSJP-UHFFFAOYSA-N 0 1 329.423 2.678 20 10 EFCDMN COc1cc(Br)cc(CN2CCC[C@](C)(O)C2)c1O ZINC000129424154 1293090739 /nfs/dbraw/zinc/09/07/39/1293090739.db2.gz IMYHKQMYJSUGLH-AWEZNQCLSA-N 0 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CC(=O)N1CCC([N@H+](C)Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233761560 1312986386 /nfs/dbraw/zinc/98/63/86/1312986386.db2.gz VKWIAEXHUWNTGP-UHFFFAOYSA-N 0 1 346.349 2.734 20 10 EFCDMN CC(=O)N1CCC([N@@H+](C)Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233761560 1312986390 /nfs/dbraw/zinc/98/63/90/1312986390.db2.gz VKWIAEXHUWNTGP-UHFFFAOYSA-N 0 1 346.349 2.734 20 10 EFCDMN COc1ccc(O)c(CN2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)c1 ZINC001203673147 1312986615 /nfs/dbraw/zinc/98/66/15/1312986615.db2.gz OTXOFRCUDOBQFY-JKSUJKDBSA-N 0 1 344.436 2.842 20 10 EFCDMN COc1ccc(O)c(CN2CCN(c3nccc4occc43)CC2)c1 ZINC001203678343 1312988104 /nfs/dbraw/zinc/98/81/04/1312988104.db2.gz LOZOIUKFMCBXPL-UHFFFAOYSA-N 0 1 339.395 2.864 20 10 EFCDMN CC(C)c1cc(NS(=O)(=O)c2cnc(Cl)n2C)ccc1O ZINC000882798864 1293326267 /nfs/dbraw/zinc/32/62/67/1293326267.db2.gz GYONQMLMFIUAKM-UHFFFAOYSA-N 0 1 329.809 2.703 20 10 EFCDMN CC(C)c1cc(NS(=O)(=O)c2c3c(nn2C)CCCC3)ccc1O ZINC000882799432 1293327722 /nfs/dbraw/zinc/32/77/22/1293327722.db2.gz CPBDIUMDXYJZNW-UHFFFAOYSA-N 0 1 349.456 2.929 20 10 EFCDMN O=C(Nc1cnn(C2CCOCC2)c1)c1cc(O)c(O)c(Cl)c1 ZINC001193589055 1293353604 /nfs/dbraw/zinc/35/36/04/1293353604.db2.gz AQKLRMWPFGTVLP-UHFFFAOYSA-N 0 1 337.763 2.552 20 10 EFCDMN CCCc1nsc(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000882879986 1293364797 /nfs/dbraw/zinc/36/47/97/1293364797.db2.gz WZPTVCXPSIEASX-UHFFFAOYSA-N 0 1 331.489 2.855 20 10 EFCDMN CN1CCN(c2ccc(CNc3ncnc4ccccc43)cc2)CC1 ZINC000882880187 1293366455 /nfs/dbraw/zinc/36/64/55/1293366455.db2.gz GAUBBLXNGBFUMX-UHFFFAOYSA-N 0 1 333.439 2.994 20 10 EFCDMN O=C(NC[C@H](O)c1cc2ccccc2o1)c1cc(O)c(O)c(Cl)c1 ZINC001193634948 1293377818 /nfs/dbraw/zinc/37/78/18/1293377818.db2.gz NVSLLBKSVPTOLM-ZDUSSCGKSA-N 0 1 347.754 2.961 20 10 EFCDMN COC(=O)c1cnc([C@@H](C)NCc2cc(F)cc(F)c2O)s1 ZINC000883150081 1293481346 /nfs/dbraw/zinc/48/13/46/1293481346.db2.gz UQFVPNHUVCDVSK-SSDOTTSWSA-N 0 1 328.340 2.764 20 10 EFCDMN CN1CCN(c2ccc(CNC(=O)NC3CC4(CCC4)C3)cc2)CC1 ZINC000883764881 1293705595 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O=C1C[C@@H]2[C@H](CCN2Cc2ccc(O)c(O)c2)N1c1ccsc1 ZINC001203876897 1313039452 /nfs/dbraw/zinc/03/94/52/1313039452.db2.gz LNTVBOVTQFSKKF-UONOGXRCSA-N 0 1 330.409 2.539 20 10 EFCDMN O=C1Nc2ncccc2C2(CCN(Cc3ccc(O)c(O)c3)CC2)O1 ZINC001203882940 1313040732 /nfs/dbraw/zinc/04/07/32/1313040732.db2.gz XZEZQZDOXCKVLT-UHFFFAOYSA-N 0 1 341.367 2.546 20 10 EFCDMN COc1ccc(OC2CCN(Cc3ccc(O)c(O)c3)CC2)nc1 ZINC001203884534 1313041122 /nfs/dbraw/zinc/04/11/22/1313041122.db2.gz UQXMKMQDVPNMPD-UHFFFAOYSA-N 0 1 330.384 2.545 20 10 EFCDMN COC(=O)CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H]1CCCO1 ZINC000775703195 1294184059 /nfs/dbraw/zinc/18/40/59/1294184059.db2.gz MILBNDKSFHJUHX-CYBMUJFWSA-N 0 1 345.798 2.729 20 10 EFCDMN O=C1CN(Cc2cc(Cl)cc(F)c2O)CN1Cc1ccccc1 ZINC000775743297 1294368477 /nfs/dbraw/zinc/36/84/77/1294368477.db2.gz DVEYWPFGRMNBQM-UHFFFAOYSA-N 0 1 334.778 2.987 20 10 EFCDMN CCc1nc(C)c(CN(C)Cc2ccc(N3CCOCC3)cc2)[nH]1 ZINC001203243362 1294911610 /nfs/dbraw/zinc/91/16/10/1294911610.db2.gz JSNSKTRUSWBUDN-UHFFFAOYSA-N 0 1 328.460 2.749 20 10 EFCDMN COc1ccc2nc(CN[C@H](C)c3ccc(N(C)C)cc3)[nH]c2n1 ZINC000775834544 1294978311 /nfs/dbraw/zinc/97/83/11/1294978311.db2.gz AACMLFDFPYGMJC-GFCCVEGCSA-N 0 1 325.416 2.883 20 10 EFCDMN c1cncc(CN2CCN(Cc3ccc(N4CCCC4)cc3)CC2)c1 ZINC001204320159 1313122253 /nfs/dbraw/zinc/12/22/53/1313122253.db2.gz MWBDIFVOHSFDJJ-UHFFFAOYSA-N 0 1 336.483 3.000 20 10 EFCDMN COc1cc(Br)cc(CN2CCC[C@]3(CCO3)C2)c1O ZINC001204339722 1313124956 /nfs/dbraw/zinc/12/49/56/1313124956.db2.gz QKKYGWSMYKJUEF-HNNXBMFYSA-N 0 1 342.233 2.918 20 10 EFCDMN COc1cc(Br)cc(CN2CC[C@@](C)(O)[C@@H](C)C2)c1O ZINC001204336414 1313125216 /nfs/dbraw/zinc/12/52/16/1313125216.db2.gz NTIBDAQAXYTUTI-ZUZCIYMTSA-N 0 1 344.249 2.756 20 10 EFCDMN COc1cc(CN2CCCN(c3ncccc3C)CC2)cc(O)c1O ZINC001204344187 1313126378 /nfs/dbraw/zinc/12/63/78/1313126378.db2.gz ZXIAACFTKOUEKI-UHFFFAOYSA-N 0 1 343.427 2.522 20 10 EFCDMN CCOC(=O)C[C@@H]1CCN(Cc2cc(O)c(O)c(OC)c2)C[C@@H]1C ZINC001204350539 1313127560 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CCN(Cc1ccc(N(C)C)cc1)c1[nH+]ccc(C)c1-c1nnn[n-]1 ZINC000825434539 1441515003 /nfs/dbraw/zinc/51/50/03/1441515003.db2.gz ALJSIEBLLAOAFF-UHFFFAOYSA-N 0 1 337.431 2.663 20 10 EFCDMN Cc1ccc(C(=O)NC[C@H](C)N2CCc3ccccc3C2)c(O)c1O ZINC000177676761 713943164 /nfs/dbraw/zinc/94/31/64/713943164.db2.gz ILMILPJCNDVNIR-AWEZNQCLSA-N 0 1 340.423 2.583 20 10 EFCDMN COc1ccc(CN2CCC[C@H](OCC(F)(F)F)C2)c(O)c1OC ZINC000891700556 714960599 /nfs/dbraw/zinc/96/05/99/714960599.db2.gz ZZAZFCFYBAIYMX-LBPRGKRZSA-N 0 1 349.349 2.953 20 10 EFCDMN COCCN(Cc1ccc(C)o1)Cc1ccc(OC)c(OC)c1O ZINC000892124874 715264500 /nfs/dbraw/zinc/26/45/00/715264500.db2.gz CFVZZGNQOWYAJZ-UHFFFAOYSA-N 0 1 335.400 2.959 20 10 EFCDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccnc(CN)c1 ZINC000326982831 715685431 /nfs/dbraw/zinc/68/54/31/715685431.db2.gz VKJGPGXGUBTGHR-UHFFFAOYSA-N 0 1 338.455 2.803 20 10 EFCDMN C/C(=C/c1ccco1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000893608247 717375896 /nfs/dbraw/zinc/37/58/96/717375896.db2.gz UFUUHNRYIWFXGF-PEZBUJJGSA-N 0 1 339.439 2.751 20 10 EFCDMN CCCN(Cc1cc2c(cc1O)CCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000179435362 717461956 /nfs/dbraw/zinc/46/19/56/717461956.db2.gz UZJFSXYEXHAHDY-QGZVFWFLSA-N 0 1 337.485 2.670 20 10 EFCDMN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccn[nH]2)cc1 ZINC000728836862 724512895 /nfs/dbraw/zinc/51/28/95/724512895.db2.gz GQYDHZZGRGRPDE-UHFFFAOYSA-N 0 1 326.322 2.680 20 10 EFCDMN CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000840891448 718941717 /nfs/dbraw/zinc/94/17/17/718941717.db2.gz TYNYETPDQZHSKS-NXEZZACHSA-N 0 1 329.238 2.718 20 10 EFCDMN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]Cc2nnc(C3CC3)s2)c1[O-] ZINC000840973564 719906678 /nfs/dbraw/zinc/90/66/78/719906678.db2.gz QCCLTEXXEIRRDM-UHFFFAOYSA-N 0 1 340.792 2.973 20 10 EFCDMN NC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000893863735 720129553 /nfs/dbraw/zinc/12/95/53/720129553.db2.gz MMQKQYLIPXEKMP-QMMMGPOBSA-N 0 1 347.640 2.505 20 10 EFCDMN C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2cc(F)cc(F)c2[O-])C[C@@H](C)O1 ZINC000893975416 720192743 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Cc1cc(N(C)C)ccc1CN(C)CC(=O)NCc1cccs1 ZINC000840915393 720928693 /nfs/dbraw/zinc/92/86/93/720928693.db2.gz QMAMJYRNCBHCBE-UHFFFAOYSA-N 0 1 331.485 2.871 20 10 EFCDMN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCN(C/C=C/Cl)C2)cc1 ZINC001029013693 722638538 /nfs/dbraw/zinc/63/85/38/722638538.db2.gz GABFKEBOQJPFSN-JZPSKYGBSA-N 0 1 349.822 2.653 20 10 EFCDMN O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1cc(F)cc(F)c1[O-])C2 ZINC000894492918 722758848 /nfs/dbraw/zinc/75/88/48/722758848.db2.gz GKAUWCPHERYMFX-GOSISDBHSA-N 0 1 330.334 2.766 20 10 EFCDMN COCCO[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894530771 722773458 /nfs/dbraw/zinc/77/34/58/722773458.db2.gz MHKKITQNDMVTNJ-GFCCVEGCSA-N 0 1 348.212 2.531 20 10 EFCDMN Oc1c(F)cc(Br)cc1CN1CCO[C@@H](C(F)F)C1 ZINC000894675121 722815398 /nfs/dbraw/zinc/81/53/98/722815398.db2.gz CJAFNXDCTDDYEI-SNVBAGLBSA-N 0 1 340.139 2.760 20 10 EFCDMN [O-]c1cccc(Br)c1C[NH2+]CCO[C@H]1CCCCO1 ZINC000894792660 722851841 /nfs/dbraw/zinc/85/18/41/722851841.db2.gz CFNRLKLJDGPOEJ-AWEZNQCLSA-N 0 1 330.222 2.788 20 10 EFCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000894814761 722855521 /nfs/dbraw/zinc/85/55/21/722855521.db2.gz JKRNCQWPQPFDAO-GFCCVEGCSA-N 0 1 340.196 2.937 20 10 EFCDMN COc1ccc(O)c([C@H](C)NC(=O)c2[nH]nc3c2C[C@@H](C)CC3)c1 ZINC000896165641 723167074 /nfs/dbraw/zinc/16/70/74/723167074.db2.gz XPBOVCKUBSWTAQ-QWRGUYRKSA-N 0 1 329.400 2.740 20 10 EFCDMN CCC[N@@H+](CC)Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-] ZINC000727820192 723171970 /nfs/dbraw/zinc/17/19/70/723171970.db2.gz BLPRFNLLWPJLAX-UHFFFAOYSA-N 0 1 334.460 2.659 20 10 EFCDMN COc1c([O-])c(C[NH2+][C@H](c2ccccn2)C2CC2)ccc1[N+](=O)[O-] ZINC000896612145 723401571 /nfs/dbraw/zinc/40/15/71/723401571.db2.gz HVZOYJNNUJPAFP-HNNXBMFYSA-N 0 1 329.356 2.945 20 10 EFCDMN Cc1nc(CN(C)Cc2cc(Br)cc(F)c2O)no1 ZINC000895354771 724064695 /nfs/dbraw/zinc/06/46/95/724064695.db2.gz QYHWHPQJADTVAO-UHFFFAOYSA-N 0 1 330.157 2.617 20 10 EFCDMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1SC ZINC000728696799 724135515 /nfs/dbraw/zinc/13/55/15/724135515.db2.gz DTFSCGMHJLDSSU-UVTDQMKNSA-N 0 1 340.404 2.879 20 10 EFCDMN CCCC[C@H](C(=O)OC)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000727585400 724184818 /nfs/dbraw/zinc/18/48/18/724184818.db2.gz AIHQDNGEGMENDX-GOSISDBHSA-N 0 1 334.460 2.939 20 10 EFCDMN CCOC(=O)[C@H](C[C@@H]1CCCO1)NCc1cc(Cl)c(F)cc1O ZINC000895865750 724360869 /nfs/dbraw/zinc/36/08/69/724360869.db2.gz WBBIZVFCUVMDQI-FZMZJTMJSA-N 0 1 345.798 2.775 20 10 EFCDMN C[C@@H](NC(=O)[C@H]1CCN1C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000895895337 724372239 /nfs/dbraw/zinc/37/22/39/724372239.db2.gz UHMJZNYODAFHAT-CRAIPNDOSA-N 0 1 345.487 2.573 20 10 EFCDMN CCC/C=C/C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000730235663 725513910 /nfs/dbraw/zinc/51/39/10/725513910.db2.gz LBJGRGPOWVLLTD-VOTSOKGWSA-N 0 1 333.451 2.940 20 10 EFCDMN Cn1nc2c(c1C(=O)NCc1cc(Cl)cc(Cl)c1O)CCC2 ZINC000908212226 727132604 /nfs/dbraw/zinc/13/26/04/727132604.db2.gz OVVAJZWLXOFXDX-UHFFFAOYSA-N 0 1 340.210 2.851 20 10 EFCDMN Cc1[nH+]c(N(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1C(=O)[O-] ZINC000910337140 727432095 /nfs/dbraw/zinc/43/20/95/727432095.db2.gz YHXZBKBXQGSUNH-HNNXBMFYSA-N 0 1 342.395 2.979 20 10 EFCDMN CC[C@H]1C[N@@H+](CC)CCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000910375737 727435720 /nfs/dbraw/zinc/43/57/20/727435720.db2.gz ROKQFLNYLQAAMB-OWNNVSBGSA-N 0 1 333.388 2.613 20 10 EFCDMN NC(=O)[C@H]1CCCN(c2ccc(CNCc3ccc(Cl)o3)cc2)C1 ZINC000917394263 727800250 /nfs/dbraw/zinc/80/02/50/727800250.db2.gz FSHHADVWKRUZFI-AWEZNQCLSA-N 0 1 347.846 2.925 20 10 EFCDMN CS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000045172964 727983202 /nfs/dbraw/zinc/98/32/02/727983202.db2.gz ZDSDOXIFMVIEIS-UHFFFAOYSA-N 0 1 325.817 2.739 20 10 EFCDMN COc1ccc(O)c([C@H](C)NC(=O)Cc2[nH]nc3ccccc32)c1 ZINC000157881439 728246776 /nfs/dbraw/zinc/24/67/76/728246776.db2.gz WNCBAOHETUQMBS-NSHDSACASA-N 0 1 325.368 2.697 20 10 EFCDMN CN(C)[C@@H](CNC(=O)Cc1ccc(N)cc1)c1ccc(Cl)cc1 ZINC000071700705 728329285 /nfs/dbraw/zinc/32/92/85/728329285.db2.gz XLRXBKWTFMYMRS-KRWDZBQOSA-N 0 1 331.847 2.884 20 10 EFCDMN COc1cccc(CN(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000171859154 728556421 /nfs/dbraw/zinc/55/64/21/728556421.db2.gz ZKMDQLJWPKYBIN-UHFFFAOYSA-N 0 1 327.428 2.559 20 10 EFCDMN COc1ccc(O)c(CNC(=O)NC[C@H](c2cccs2)N(C)C)c1 ZINC000172064115 728564245 /nfs/dbraw/zinc/56/42/45/728564245.db2.gz CLPSEJPJTVSYLD-CQSZACIVSA-N 0 1 349.456 2.564 20 10 EFCDMN Cc1cc(C(=O)N2CCN(CC3CC3)CC2)c(C)n1-c1ccccn1 ZINC000063779359 728646456 /nfs/dbraw/zinc/64/64/56/728646456.db2.gz FXGBKBBBTKDMSO-UHFFFAOYSA-N 0 1 338.455 2.657 20 10 EFCDMN Cc1noc(C)c1CN1CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000064111651 728671560 /nfs/dbraw/zinc/67/15/60/728671560.db2.gz GEWBOTJXKCUQIU-UHFFFAOYSA-N 0 1 329.444 2.932 20 10 EFCDMN COc1ccc(N2CCN(CCCC(=O)OC(C)(C)C)CC2)cc1 ZINC000181513128 729005083 /nfs/dbraw/zinc/00/50/83/729005083.db2.gz NAFLZWYWXSXZEK-UHFFFAOYSA-N 0 1 334.460 2.939 20 10 EFCDMN Cn1cc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cn1 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O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1Cc2ccccc2CN1 ZINC000195171793 240207760 /nfs/dbraw/zinc/20/77/60/240207760.db2.gz FHKUWORZWYOKNN-FQEVSTJZSA-N 0 1 335.451 2.618 20 10 EFCDMN CC[C@@H]([NH2+][C@@H](CCO)COC)c1cc(Br)ccc1[O-] ZINC000229556215 240233821 /nfs/dbraw/zinc/23/38/21/240233821.db2.gz UKBVNQOCVRSGAX-WCQYABFASA-N 0 1 332.238 2.593 20 10 EFCDMN CC(C)(C)OC(=O)C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000263879775 240390863 /nfs/dbraw/zinc/39/08/63/240390863.db2.gz NURGLHJSZUHLIR-UHFFFAOYSA-N 0 1 335.400 2.675 20 10 EFCDMN Nc1ccc(CC(=O)N2CCNC[C@H]2c2cccc(Cl)c2)cc1 ZINC000261713714 240318297 /nfs/dbraw/zinc/31/82/97/240318297.db2.gz IVGHYMDJMVVKFU-KRWDZBQOSA-N 0 1 329.831 2.638 20 10 EFCDMN C[C@@H](N[C@H](C)c1ccc(Br)cc1O)c1nncn1C ZINC000273593357 240706958 /nfs/dbraw/zinc/70/69/58/240706958.db2.gz PVGDXLQKGBMTEQ-RKDXNWHRSA-N 0 1 325.210 2.695 20 10 EFCDMN CC(C)c1nc(CNC(=O)NCc2ccc(N3CCCC3)cc2)n[nH]1 ZINC000296982345 241105330 /nfs/dbraw/zinc/10/53/30/241105330.db2.gz FNHKSOCKIONZMZ-UHFFFAOYSA-N 0 1 342.447 2.528 20 10 EFCDMN CCCN(CC(=O)N(C)C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295646307 241059496 /nfs/dbraw/zinc/05/94/96/241059496.db2.gz YVDVEAJOCYPMFB-UHFFFAOYSA-N 0 1 347.503 2.602 20 10 EFCDMN CN(C)c1ccc(CN(C(=O)c2ccc3[nH]nnc3c2)C2CC2)cc1 ZINC000298336998 241147505 /nfs/dbraw/zinc/14/75/05/241147505.db2.gz BWUZTCYFSMPBQP-UHFFFAOYSA-N 0 1 335.411 2.829 20 10 EFCDMN C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1c([O-])ccc(Cl)c1F ZINC000365931738 242337170 /nfs/dbraw/zinc/33/71/70/242337170.db2.gz OBLDYTPNADKUFY-GFCCVEGCSA-N 0 1 342.842 2.870 20 10 EFCDMN C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@]2(CCCOC2)O1 ZINC000366483925 242355890 /nfs/dbraw/zinc/35/58/90/242355890.db2.gz IKQSMYKCERTEGI-BZNIZROVSA-N 0 1 329.799 2.955 20 10 EFCDMN Cc1ccc(CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)o1 ZINC000054179219 132190160 /nfs/dbraw/zinc/19/01/60/132190160.db2.gz KKUBPMPRZDBVDZ-INIZCTEOSA-N 0 1 327.428 2.580 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1O ZINC000280937289 277105602 /nfs/dbraw/zinc/10/56/02/277105602.db2.gz GIQJOTYEHMXNKQ-YVEFUNNKSA-N 0 1 337.803 2.935 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1O ZINC000280937289 277105604 /nfs/dbraw/zinc/10/56/04/277105604.db2.gz GIQJOTYEHMXNKQ-YVEFUNNKSA-N 0 1 337.803 2.935 20 10 EFCDMN Cc1ncc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)[nH]1 ZINC000270071781 293158492 /nfs/dbraw/zinc/15/84/92/293158492.db2.gz JQIYKDZKUOYHNX-KRWDZBQOSA-N 0 1 342.443 2.606 20 10 EFCDMN CC(C)C(=O)NCC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000184869573 473259313 /nfs/dbraw/zinc/25/93/13/473259313.db2.gz KYCLIMVEOUKAMF-SNVBAGLBSA-N 0 1 329.238 2.578 20 10 EFCDMN C[C@H](CN1CCCC1=O)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000185109666 473331002 /nfs/dbraw/zinc/33/10/02/473331002.db2.gz JBVLNMODFJSOFG-GHMZBOCLSA-N 0 1 341.249 2.816 20 10 EFCDMN CCN(CC(=O)N1CCCC1)Cc1cc(Br)ccc1O ZINC000076118566 472277591 /nfs/dbraw/zinc/27/75/91/472277591.db2.gz WYHGKBLCNGHSHJ-UHFFFAOYSA-N 0 1 341.249 2.599 20 10 EFCDMN CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NC1CC1 ZINC000076118514 472277781 /nfs/dbraw/zinc/27/77/81/472277781.db2.gz FWDATNIOJPCSRM-JTQLQIEISA-N 0 1 341.249 2.644 20 10 EFCDMN CC[C@@H]([NH2+]CCOCCOC)c1cc(Br)ccc1[O-] ZINC000044693645 472331789 /nfs/dbraw/zinc/33/17/89/472331789.db2.gz IRALXWZFMBHXKM-CYBMUJFWSA-N 0 1 332.238 2.858 20 10 EFCDMN Cc1cc(O)c(CN2CCC[C@H]2C(=O)NCc2ccco2)cc1C ZINC000128179342 472413979 /nfs/dbraw/zinc/41/39/79/472413979.db2.gz SLAUGHULBKXEII-KRWDZBQOSA-N 0 1 328.412 2.883 20 10 EFCDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1O ZINC000069818248 472442774 /nfs/dbraw/zinc/44/27/74/472442774.db2.gz VIBWUTUKEXBWHO-GFCCVEGCSA-N 0 1 329.356 2.759 20 10 EFCDMN COc1cccc(CN2CCCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000128513033 472461971 /nfs/dbraw/zinc/46/19/71/472461971.db2.gz NHCQZVQXQGROLL-UHFFFAOYSA-N 0 1 336.432 2.844 20 10 EFCDMN COc1cc(OC)cc([C@@H](O)C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000118450726 472496972 /nfs/dbraw/zinc/49/69/72/472496972.db2.gz HPECNUSOYIIVFK-KRWDZBQOSA-N 0 1 337.803 2.886 20 10 EFCDMN C[C@H]1CN(c2ccc(CNC(=O)C(F)(F)F)cc2F)C[C@H](C)O1 ZINC000058228269 472522300 /nfs/dbraw/zinc/52/23/00/472522300.db2.gz RQBYVIQBVBUIRT-UWVGGRQHSA-N 0 1 334.313 2.618 20 10 EFCDMN CC[C@@H]([NH2+]CCNC(=O)C1CC1)c1cc(Br)ccc1[O-] ZINC000119122069 472528451 /nfs/dbraw/zinc/52/84/51/472528451.db2.gz RCBSMOMCWUJVJX-CYBMUJFWSA-N 0 1 341.249 2.722 20 10 EFCDMN CC1CCN(C(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000070975907 472530718 /nfs/dbraw/zinc/53/07/18/472530718.db2.gz JITKCFILLVLVIY-GOSISDBHSA-N 0 1 346.471 2.632 20 10 EFCDMN CCOc1cccc(CN2CCCN(CC(F)(F)F)CC2)c1O ZINC000129460590 472544969 /nfs/dbraw/zinc/54/49/69/472544969.db2.gz SJIAPCXLWLCQLJ-UHFFFAOYSA-N 0 1 332.366 2.861 20 10 EFCDMN [O-]c1ccc(Br)cc1C[NH+]1CCC(C2OCCO2)CC1 ZINC000130040587 472581516 /nfs/dbraw/zinc/58/15/16/472581516.db2.gz XFGMERXAGZRHAU-UHFFFAOYSA-N 0 1 342.233 2.740 20 10 EFCDMN C[C@]1(c2ccccc2)CN(Cc2cc3c(cc2O)OCO3)CCO1 ZINC000120159355 472640714 /nfs/dbraw/zinc/64/07/14/472640714.db2.gz 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ZINC000092188788 472871704 /nfs/dbraw/zinc/87/17/04/472871704.db2.gz JRTDUNNGMJAQSE-GFCCVEGCSA-N 0 1 344.242 2.689 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)C3CCCC3)cc2F)CC1 ZINC000106702793 472882923 /nfs/dbraw/zinc/88/29/23/472882923.db2.gz AYNCCMUUYDHHJD-UHFFFAOYSA-N 0 1 333.451 2.774 20 10 EFCDMN CO[C@@H](C)CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134261109 472889364 /nfs/dbraw/zinc/88/93/64/472889364.db2.gz YTJBWMMSKIOZRN-SWLSCSKDSA-N 0 1 340.851 2.551 20 10 EFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000093134108 473048320 /nfs/dbraw/zinc/04/83/20/473048320.db2.gz FDSYTTCIVVMGLN-GFCCVEGCSA-N 0 1 332.835 2.963 20 10 EFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000093134108 473048324 /nfs/dbraw/zinc/04/83/24/473048324.db2.gz FDSYTTCIVVMGLN-GFCCVEGCSA-N 0 1 332.835 2.963 20 10 EFCDMN COCCn1c(C)c(C)c2cc(C(=O)N(C)Cc3cnc[nH]3)ccc21 ZINC000616924881 480027514 /nfs/dbraw/zinc/02/75/14/480027514.db2.gz ZMJNRDNULRYHIJ-UHFFFAOYSA-N 0 1 340.427 2.900 20 10 EFCDMN Cc1cccc(NC(=O)NC(=O)CN(C)Cc2ccccc2O)c1C ZINC000109772968 473120286 /nfs/dbraw/zinc/12/02/86/473120286.db2.gz VKCYXPDRROGCNE-UHFFFAOYSA-N 0 1 341.411 2.789 20 10 EFCDMN COc1cccc(CNC(=O)[C@@H](C)N(C)Cc2ccccc2O)c1 ZINC000109769015 473120830 /nfs/dbraw/zinc/12/08/30/473120830.db2.gz NZYNNITVBBILPR-CQSZACIVSA-N 0 1 328.412 2.538 20 10 EFCDMN COCCOC[C@@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000093753998 473138890 /nfs/dbraw/zinc/13/88/90/473138890.db2.gz OIEZFABBDPHOIB-GFCCVEGCSA-N 0 1 344.249 2.640 20 10 EFCDMN COCCOC[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000093753998 473138896 /nfs/dbraw/zinc/13/88/96/473138896.db2.gz OIEZFABBDPHOIB-GFCCVEGCSA-N 0 1 344.249 2.640 20 10 EFCDMN CN(C)c1ccc(CNC(=O)CN(C)CCc2ccccc2)cc1 ZINC000053048019 473177690 /nfs/dbraw/zinc/17/76/90/473177690.db2.gz VCOHBWQUGNENRR-UHFFFAOYSA-N 0 1 325.456 2.543 20 10 EFCDMN CCN(Cc1cc(Br)ccc1O)C(=O)c1cnc(C)[nH]1 ZINC000075417060 473185024 /nfs/dbraw/zinc/18/50/24/473185024.db2.gz XWEVLMXYZJYVEA-UHFFFAOYSA-N 0 1 338.205 2.849 20 10 EFCDMN COCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000185466753 473434115 /nfs/dbraw/zinc/43/41/15/473434115.db2.gz CVBHJNCHHLBTIY-IINYFYTJSA-N 0 1 332.238 2.593 20 10 EFCDMN C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1cc(Br)ccc1[O-] ZINC000185638275 473474349 /nfs/dbraw/zinc/47/43/49/473474349.db2.gz IUFCXKIAXLCJPS-RNCFNFMXSA-N 0 1 332.263 2.673 20 10 EFCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000191316153 473526190 /nfs/dbraw/zinc/52/61/90/473526190.db2.gz VRBHBSKKGGJYST-ZDUSSCGKSA-N 0 1 342.842 2.729 20 10 EFCDMN CCCN(Cc1ccccc1O)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000185846580 473530349 /nfs/dbraw/zinc/53/03/49/473530349.db2.gz USHKJUZWAUCEIH-UHFFFAOYSA-N 0 1 332.360 2.638 20 10 EFCDMN Nc1ccc(CCNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000152560981 473576727 /nfs/dbraw/zinc/57/67/27/473576727.db2.gz XVSQHFFHYZBEHM-FQEVSTJZSA-N 0 1 337.467 2.982 20 10 EFCDMN Nc1ccc(CCNC(=O)[C@@H]2CCCCN2Cc2ccccc2)cc1 ZINC000152560981 473576730 /nfs/dbraw/zinc/57/67/30/473576730.db2.gz XVSQHFFHYZBEHM-FQEVSTJZSA-N 0 1 337.467 2.982 20 10 EFCDMN CC(C)N1CC[C@@H]([NH2+][C@H](C)c2ccc(Br)cc2[O-])C1=O ZINC000186048694 473578991 /nfs/dbraw/zinc/57/89/91/473578991.db2.gz BIZQMAMQBGWMTQ-ZWNOBZJWSA-N 0 1 341.249 2.815 20 10 EFCDMN CC(C)N1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2[O-])C1=O ZINC000186048649 473579135 /nfs/dbraw/zinc/57/91/35/473579135.db2.gz BIZQMAMQBGWMTQ-GWCFXTLKSA-N 0 1 341.249 2.815 20 10 EFCDMN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000179151314 473640867 /nfs/dbraw/zinc/64/08/67/473640867.db2.gz UNDWBNWIXQGZAT-ZDUSSCGKSA-N 0 1 325.792 2.776 20 10 EFCDMN COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000179151314 473640869 /nfs/dbraw/zinc/64/08/69/473640869.db2.gz UNDWBNWIXQGZAT-ZDUSSCGKSA-N 0 1 325.792 2.776 20 10 EFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@H](C3OCCO3)C2)c1[O-] ZINC000179368618 473680561 /nfs/dbraw/zinc/68/05/61/473680561.db2.gz ZGDMRUMXCSTYQZ-JTQLQIEISA-N 0 1 342.779 2.539 20 10 EFCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000179365756 473681106 /nfs/dbraw/zinc/68/11/06/473681106.db2.gz YGLROLYRGSKXIF-LLVKDONJSA-N 0 1 342.233 2.740 20 10 EFCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000179365756 473681108 /nfs/dbraw/zinc/68/11/08/473681108.db2.gz YGLROLYRGSKXIF-LLVKDONJSA-N 0 1 342.233 2.740 20 10 EFCDMN O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000179565492 473695144 /nfs/dbraw/zinc/69/51/44/473695144.db2.gz DUGUBTZJZOKJMD-INIZCTEOSA-N 0 1 329.375 2.927 20 10 EFCDMN COc1cc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)c(F)cn1 ZINC000287731580 473746390 /nfs/dbraw/zinc/74/63/90/473746390.db2.gz PDUGVVPNIVMJGE-CQSZACIVSA-N 0 1 345.418 2.917 20 10 EFCDMN Oc1ccc(F)cc1CN1CCN(c2ncnc3sccc32)CC1 ZINC000179909349 473752704 /nfs/dbraw/zinc/75/27/04/473752704.db2.gz FROPDBJLUUHYSZ-UHFFFAOYSA-N 0 1 344.415 2.858 20 10 EFCDMN COc1ccncc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000287926860 473799698 /nfs/dbraw/zinc/79/96/98/473799698.db2.gz WMFZXOFOUJFBIC-HNNXBMFYSA-N 0 1 327.428 2.778 20 10 EFCDMN COc1ccc(O)c(CN2CCN([C@H](C)c3cccnc3)CC2)c1 ZINC000180248905 473839059 /nfs/dbraw/zinc/83/90/59/473839059.db2.gz IRTRWFIMJKBRNA-OAHLLOKOSA-N 0 1 327.428 2.675 20 10 EFCDMN Cc1nccnc1[C@H](C)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000187822860 473926402 /nfs/dbraw/zinc/92/64/02/473926402.db2.gz BCGHBQGKVYWMME-INIZCTEOSA-N 0 1 340.471 2.845 20 10 EFCDMN COC(=O)[C@H]1CCN(Cc2cc(Br)ccc2O)C[C@@H]1C ZINC000188101754 473982914 /nfs/dbraw/zinc/98/29/14/473982914.db2.gz QZVDKVPBLKGEJB-GWCFXTLKSA-N 0 1 342.233 2.786 20 10 EFCDMN COC(=O)[C@H]1CCN(Cc2cc(Cl)cc(OC)c2O)C[C@@H]1C ZINC000188109534 473986048 /nfs/dbraw/zinc/98/60/48/473986048.db2.gz JNXMCGNWZLHKCN-GWCFXTLKSA-N 0 1 327.808 2.685 20 10 EFCDMN O=C(c1cc(C2CC2)[nH]n1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000264664904 474081524 /nfs/dbraw/zinc/08/15/24/474081524.db2.gz IGXQPZBTFQDBKG-OAHLLOKOSA-N 0 1 341.411 2.814 20 10 EFCDMN CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)NCCCOCC ZINC000282573044 474115194 /nfs/dbraw/zinc/11/51/94/474115194.db2.gz ZSROKZNWJKRMCJ-INIZCTEOSA-N 0 1 336.476 2.926 20 10 EFCDMN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2CCCN2C)cc1 ZINC000264973159 474162916 /nfs/dbraw/zinc/16/29/16/474162916.db2.gz GQYBMLHACSILSK-LJQANCHMSA-N 0 1 341.455 2.969 20 10 EFCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000264994608 474163242 /nfs/dbraw/zinc/16/32/42/474163242.db2.gz XRUFMANEGRKVOF-UHFFFAOYSA-N 0 1 333.819 2.567 20 10 EFCDMN COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000289224609 474189335 /nfs/dbraw/zinc/18/93/35/474189335.db2.gz CRZRIPUUHCSDJK-CYBMUJFWSA-N 0 1 337.725 2.973 20 10 EFCDMN CC[C@@H]([NH2+][C@H](C)C(=O)NCCF)c1cc(Br)ccc1[O-] ZINC000282896172 474234408 /nfs/dbraw/zinc/23/44/08/474234408.db2.gz WNJVSTRASBWVMD-BXKDBHETSA-N 0 1 347.228 2.670 20 10 EFCDMN C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])C(=O)NC(C)(C)C ZINC000227441666 474245575 /nfs/dbraw/zinc/24/55/75/474245575.db2.gz OOXXMGJTQKBGIR-VIFPVBQESA-N 0 1 329.238 2.548 20 10 EFCDMN C[C@H]1CN(Cc2c(O)ccc3ccccc32)CC[N@H+]1CC(C)(C)O ZINC000188966518 474248187 /nfs/dbraw/zinc/24/81/87/474248187.db2.gz UFVCIRHIEJCDTH-HNNXBMFYSA-N 0 1 328.456 2.822 20 10 EFCDMN C[C@@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1nnc[nH]1 ZINC000182796548 474257180 /nfs/dbraw/zinc/25/71/80/474257180.db2.gz VEDZYLZYBDGEKH-CQSZACIVSA-N 0 1 342.447 2.601 20 10 EFCDMN CN(C)c1ccc(CN(Cc2cnc(N(C)C)nc2)C2CC2)cc1 ZINC000271032044 474377045 /nfs/dbraw/zinc/37/70/45/474377045.db2.gz DGBUVOAVDHQGTJ-UHFFFAOYSA-N 0 1 325.460 2.773 20 10 EFCDMN CCCOc1ccc(CN2CCN(Cc3cccnc3)CC2)c(O)c1 ZINC000183668571 474408188 /nfs/dbraw/zinc/40/81/88/474408188.db2.gz PWCLUISJJVSKGZ-UHFFFAOYSA-N 0 1 341.455 2.894 20 10 EFCDMN CCSCCN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000183700611 474414985 /nfs/dbraw/zinc/41/49/85/474414985.db2.gz ZRGBRUXVJITGKG-UHFFFAOYSA-N 0 1 340.489 2.588 20 10 EFCDMN COCc1nc(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cs1 ZINC000289848861 474453381 /nfs/dbraw/zinc/45/33/81/474453381.db2.gz PMEAVKZBIYNLCM-UHFFFAOYSA-N 0 1 343.792 2.847 20 10 EFCDMN COc1cncc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000290067663 474545466 /nfs/dbraw/zinc/54/54/66/474545466.db2.gz VWQVLCPZOFSHBJ-QGZVFWFLSA-N 0 1 328.412 2.977 20 10 EFCDMN COC(=O)C[C@](C)(NCc1ccc(N(C)C)c(F)c1)c1ccncc1 ZINC000276469015 474555305 /nfs/dbraw/zinc/55/53/05/474555305.db2.gz MKLRIJLBQRVBMM-IBGZPJMESA-N 0 1 345.418 2.855 20 10 EFCDMN O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1c(F)ccc(O)c1[O-] ZINC000276502983 474565282 /nfs/dbraw/zinc/56/52/82/474565282.db2.gz HXYQNYVQKLGLPA-UHFFFAOYSA-N 0 1 344.386 2.631 20 10 EFCDMN CC[NH+](CC)[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])c1ccco1 ZINC000276668392 474568756 /nfs/dbraw/zinc/56/87/56/474568756.db2.gz YZGWUMCJECTPJP-LBPRGKRZSA-N 0 1 336.363 2.643 20 10 EFCDMN O=C1CCCN1[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000276729599 474570034 /nfs/dbraw/zinc/57/00/34/474570034.db2.gz BINCIICXVFPMOM-GFCCVEGCSA-N 0 1 329.227 2.896 20 10 EFCDMN C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccc(F)c(F)c1[O-] ZINC000276992143 474576067 /nfs/dbraw/zinc/57/60/67/474576067.db2.gz XPBVQMOLQJFDAU-UVBJJODRSA-N 0 1 340.414 2.699 20 10 EFCDMN C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000290563540 474577088 /nfs/dbraw/zinc/57/70/88/474577088.db2.gz SLYMRRFAMWQAKP-GXFFZTMASA-N 0 1 327.812 2.726 20 10 EFCDMN CCOC(=O)C1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000184672077 474581055 /nfs/dbraw/zinc/58/10/55/474581055.db2.gz KACKFHZLCVGDON-UHFFFAOYSA-N 0 1 327.808 2.829 20 10 EFCDMN COc1ccc(N2CCN(CCN[C@@H](C)c3nccs3)CC2)cc1 ZINC000271598647 474581725 /nfs/dbraw/zinc/58/17/25/474581725.db2.gz VCZCCOAZPUQFQA-HNNXBMFYSA-N 0 1 346.500 2.625 20 10 EFCDMN CCN(CC)C(=O)N1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000271696107 474586402 /nfs/dbraw/zinc/58/64/02/474586402.db2.gz BAIYYAREOVRVCK-UHFFFAOYSA-N 0 1 325.840 2.625 20 10 EFCDMN COC(=O)C1(N(C)Cc2cc(OC)c(OC)cc2O)CCCCC1 ZINC000271735223 474587650 /nfs/dbraw/zinc/58/76/50/474587650.db2.gz OHAGCYPOCVKADI-UHFFFAOYSA-N 0 1 337.416 2.717 20 10 EFCDMN CCOCC[C@@H](O)C[N@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000277770767 474595171 /nfs/dbraw/zinc/59/51/71/474595171.db2.gz RCHRXJNKQMTULP-CQSZACIVSA-N 0 1 346.265 2.764 20 10 EFCDMN CCOCC[C@@H](O)C[N@@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000277770767 474595174 /nfs/dbraw/zinc/59/51/74/474595174.db2.gz RCHRXJNKQMTULP-CQSZACIVSA-N 0 1 346.265 2.764 20 10 EFCDMN COc1c(O)c(C[N@@H+](C)CCOc2ccccc2)ccc1[N+](=O)[O-] ZINC000278155646 474602365 /nfs/dbraw/zinc/60/23/65/474602365.db2.gz CXNJTYKXXYXQPY-UHFFFAOYSA-N 0 1 332.356 2.820 20 10 EFCDMN COc1c([O-])c(C[N@H+](C)CCOc2ccccc2)ccc1[N+](=O)[O-] ZINC000278155646 474602369 /nfs/dbraw/zinc/60/23/69/474602369.db2.gz CXNJTYKXXYXQPY-UHFFFAOYSA-N 0 1 332.356 2.820 20 10 EFCDMN COc1c([O-])c(C[N@@H+](C)CCOc2ccccc2)ccc1[N+](=O)[O-] ZINC000278155646 474602372 /nfs/dbraw/zinc/60/23/72/474602372.db2.gz CXNJTYKXXYXQPY-UHFFFAOYSA-N 0 1 332.356 2.820 20 10 EFCDMN C[C@@H]([NH2+]CCCN1CCOCC1)c1ccc(Br)cc1[O-] ZINC000184838093 474617576 /nfs/dbraw/zinc/61/75/76/474617576.db2.gz QEAUJZYOUCGPER-GFCCVEGCSA-N 0 1 343.265 2.528 20 10 EFCDMN COc1cccc(CN(Cc2ccc(C(N)=O)cc2F)C2CC2)c1O ZINC000292824795 474663375 /nfs/dbraw/zinc/66/33/75/474663375.db2.gz QLGXGWKPJVDHHV-UHFFFAOYSA-N 0 1 344.386 2.803 20 10 EFCDMN CCOC(=O)CC1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000267452845 474669655 /nfs/dbraw/zinc/66/96/55/474669655.db2.gz NMKXPVYTMUSQKD-UHFFFAOYSA-N 0 1 337.391 2.899 20 10 EFCDMN CCOC(=O)CC1CC[NH+](Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000267452845 474669660 /nfs/dbraw/zinc/66/96/60/474669660.db2.gz NMKXPVYTMUSQKD-UHFFFAOYSA-N 0 1 337.391 2.899 20 10 EFCDMN CC(C)c1nc(CN(Cc2ccccc2O)C[C@H]2CCCO2)n[nH]1 ZINC000293144122 474837764 /nfs/dbraw/zinc/83/77/64/474837764.db2.gz MADZCKMNRNBIBK-OAHLLOKOSA-N 0 1 330.432 2.815 20 10 EFCDMN CC(C)N1C[C@@H]([NH2+][C@H](C)c2cc(Br)ccc2[O-])CC1=O ZINC000273461829 474911766 /nfs/dbraw/zinc/91/17/66/474911766.db2.gz IHLNBIPGOWWKLJ-PWSUYJOCSA-N 0 1 341.249 2.815 20 10 EFCDMN C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1cc(Br)ccc1[O-] ZINC000273590448 474979410 /nfs/dbraw/zinc/97/94/10/474979410.db2.gz OZXXNUWIWPBWDE-SNVBAGLBSA-N 0 1 341.249 2.851 20 10 EFCDMN C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc2ccccc2c1[O-] ZINC000273621442 474994070 /nfs/dbraw/zinc/99/40/70/474994070.db2.gz ZDTHUWOUIHBWGS-HIFRSBDPSA-N 0 1 348.468 2.620 20 10 EFCDMN COc1cc(Cl)cc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)c1O ZINC000273734746 475033675 /nfs/dbraw/zinc/03/36/75/475033675.db2.gz KZNRVPAEQUEVRK-GXFFZTMASA-N 0 1 339.741 2.942 20 10 EFCDMN C[C@H](NCc1ccc(N2CCC(C)CC2)cc1)c1ccc(=O)[nH]n1 ZINC000286283915 475058538 /nfs/dbraw/zinc/05/85/38/475058538.db2.gz VVEDFELOZMBXEF-HNNXBMFYSA-N 0 1 326.444 2.857 20 10 EFCDMN C[C@@H](NCc1ccc(N2CCC(C)CC2)cc1)c1ccc(=O)[nH]n1 ZINC000286283916 475058752 /nfs/dbraw/zinc/05/87/52/475058752.db2.gz VVEDFELOZMBXEF-OAHLLOKOSA-N 0 1 326.444 2.857 20 10 EFCDMN C[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C[N@@H+]1Cc1ccccc1 ZINC000295164205 475109709 /nfs/dbraw/zinc/10/97/09/475109709.db2.gz QWKIQPUWHNRRSW-JSGCOSHPSA-N 0 1 344.386 2.630 20 10 EFCDMN C[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C[N@H+]1Cc1ccccc1 ZINC000295164205 475109721 /nfs/dbraw/zinc/10/97/21/475109721.db2.gz QWKIQPUWHNRRSW-JSGCOSHPSA-N 0 1 344.386 2.630 20 10 EFCDMN CCc1nc(CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n[nH]1 ZINC000295371452 475122689 /nfs/dbraw/zinc/12/26/89/475122689.db2.gz OTDVMVXMBPOWNE-UHFFFAOYSA-N 0 1 341.390 2.844 20 10 EFCDMN CCOc1cccc(C[N@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1O ZINC000373535035 476412861 /nfs/dbraw/zinc/41/28/61/476412861.db2.gz PZKXOAJRNCHEGR-HXUWFJFHSA-N 0 1 338.407 2.887 20 10 EFCDMN COc1ccc(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)c(O)c1 ZINC000373692694 476420791 /nfs/dbraw/zinc/42/07/91/476420791.db2.gz CZNOSZQLWYMQJV-SFHVURJKSA-N 0 1 340.423 2.682 20 10 EFCDMN O=C1CCC[C@H]1[C@@H]1COCCN1Cc1c(O)ccc(Cl)c1F ZINC000373822172 476431805 /nfs/dbraw/zinc/43/18/05/476431805.db2.gz YLMXMOBGRGLTID-GWCFXTLKSA-N 0 1 327.783 2.755 20 10 EFCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626841 476483781 /nfs/dbraw/zinc/48/37/81/476483781.db2.gz NBKVJFCRMXMMHB-INIZCTEOSA-N 0 1 337.895 2.646 20 10 EFCDMN Cn1cc([C@H](NCc2cc3c(cc2O)OCO3)c2ccccc2)cn1 ZINC000374609700 476491698 /nfs/dbraw/zinc/49/16/98/476491698.db2.gz GPXIOLOURQNGBK-LJQANCHMSA-N 0 1 337.379 2.734 20 10 EFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCn2ccnc2C1 ZINC000377105702 477646605 /nfs/dbraw/zinc/64/66/05/477646605.db2.gz PWIXXGRWZRZXIF-SECBINFHSA-N 0 1 340.210 2.774 20 10 EFCDMN C[NH+](C)CCNC(=O)c1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000529646110 479233618 /nfs/dbraw/zinc/23/36/18/479233618.db2.gz ZMNNJUCVBWLBMK-UHFFFAOYSA-N 0 1 347.846 2.949 20 10 EFCDMN C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(Br)cc1[O-] ZINC000185639356 533891574 /nfs/dbraw/zinc/89/15/74/533891574.db2.gz MPDOOBFVVKCAIH-ZANVPECISA-N 0 1 332.263 2.673 20 10 EFCDMN CCCNC(=O)C[NH2+][C@H](CC)c1cc(Br)ccc1[O-] ZINC000036780958 519880570 /nfs/dbraw/zinc/88/05/70/519880570.db2.gz OSGCXFUHQJCCPS-GFCCVEGCSA-N 0 1 329.238 2.722 20 10 EFCDMN Oc1ccccc1CN(Cc1cnc2cnccn12)C[C@H]1CCCO1 ZINC000160176027 534456981 /nfs/dbraw/zinc/45/69/81/534456981.db2.gz VFPHOVWOOPJABT-QGZVFWFLSA-N 0 1 338.411 2.616 20 10 EFCDMN CC[C@H]([NH2+][C@H]1CCCCNC1=O)c1cc(Br)ccc1[O-] ZINC000036977305 522751343 /nfs/dbraw/zinc/75/13/43/522751343.db2.gz SEIXQVHPPBRQNL-STQMWFEESA-N 0 1 341.249 2.864 20 10 EFCDMN CC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000160563175 528766406 /nfs/dbraw/zinc/76/64/06/528766406.db2.gz LAIBWHQHXPHILW-NSHDSACASA-N 0 1 338.256 2.708 20 10 EFCDMN CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000160563175 528766412 /nfs/dbraw/zinc/76/64/12/528766412.db2.gz LAIBWHQHXPHILW-NSHDSACASA-N 0 1 338.256 2.708 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)/C=C(\C)C3CC3)cc2F)CC1 ZINC000171520306 529152930 /nfs/dbraw/zinc/15/29/30/529152930.db2.gz AHLWFBKJLQXWAS-NTCAYCPXSA-N 0 1 345.462 2.940 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)c3cc[nH]c3C)cc2F)CC1 ZINC000176299741 529153310 /nfs/dbraw/zinc/15/33/10/529153310.db2.gz NQXWJCVWHQFCCH-UHFFFAOYSA-N 0 1 344.434 2.534 20 10 EFCDMN CC[C@@H]([NH2+]C[C@@H](COC)OC)c1cc(Br)ccc1[O-] ZINC000229574275 535804608 /nfs/dbraw/zinc/80/46/08/535804608.db2.gz ORNBFWIVRJJXLS-WCQYABFASA-N 0 1 332.238 2.857 20 10 EFCDMN C[N@H+](Cc1ccc(C(=O)[O-])cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000296713234 536466039 /nfs/dbraw/zinc/46/60/39/536466039.db2.gz BCRISJXRNRRUEP-UHFFFAOYSA-N 0 1 340.423 2.853 20 10 EFCDMN COc1c([O-])c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000290886610 536861432 /nfs/dbraw/zinc/86/14/32/536861432.db2.gz LBXYCRBHMVMBNT-PBHICJAKSA-N 0 1 348.399 2.843 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000290886610 536861435 /nfs/dbraw/zinc/86/14/35/536861435.db2.gz LBXYCRBHMVMBNT-PBHICJAKSA-N 0 1 348.399 2.843 20 10 EFCDMN Cc1c2ccccc2n(C)c1CNCc1cnc(-c2cnn(C)c2)nc1 ZINC000526988403 546305930 /nfs/dbraw/zinc/30/59/30/546305930.db2.gz ZDDKTPWYODBXSO-UHFFFAOYSA-N 0 1 346.438 2.967 20 10 EFCDMN CC(=O)N1CCC([NH2+][C@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000756363915 575723732 /nfs/dbraw/zinc/72/37/32/575723732.db2.gz QNHGJUBDQFSHIE-SNVBAGLBSA-N 0 1 341.249 2.816 20 10 EFCDMN CC(=O)N1CCC([NH2+][C@@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000756363351 575723747 /nfs/dbraw/zinc/72/37/47/575723747.db2.gz QNHGJUBDQFSHIE-JTQLQIEISA-N 0 1 341.249 2.816 20 10 EFCDMN CCC[C@H](C)C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(=O)[O-] ZINC000756387806 575728379 /nfs/dbraw/zinc/72/83/79/575728379.db2.gz MISLJKKWUCKPMS-LPHOPBHVSA-N 0 1 347.503 2.808 20 10 EFCDMN C[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccc(Br)cc1[O-] ZINC000756510564 575752065 /nfs/dbraw/zinc/75/20/65/575752065.db2.gz KHOWBGRXXCJUFI-ZWNOBZJWSA-N 0 1 344.249 2.593 20 10 EFCDMN C[C@H]([NH2+]CCNc1cnccn1)c1ccc(Br)cc1[O-] ZINC000756647388 575772202 /nfs/dbraw/zinc/77/22/02/575772202.db2.gz UAIPJYQJMUUIIF-JTQLQIEISA-N 0 1 337.221 2.707 20 10 EFCDMN C[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1cc(Br)ccc1[O-] ZINC000756761887 575784663 /nfs/dbraw/zinc/78/46/63/575784663.db2.gz VOCHXMDITQXXFM-PGUXBMHVSA-N 0 1 343.265 2.524 20 10 EFCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])[C@@H]1CN(C)CCO1 ZINC000756761890 575784697 /nfs/dbraw/zinc/78/46/97/575784697.db2.gz VOCHXMDITQXXFM-RWSFTLGLSA-N 0 1 343.265 2.524 20 10 EFCDMN C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1cc(F)cc(F)c1[O-] ZINC000756764903 575785164 /nfs/dbraw/zinc/78/51/64/575785164.db2.gz LPVXDEVVJXZAKB-MZPVMMEZSA-N 0 1 340.414 2.699 20 10 EFCDMN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000756774612 575785811 /nfs/dbraw/zinc/78/58/11/575785811.db2.gz KNAKCKUTEJXFBF-NDMJEZRESA-N 0 1 341.249 2.720 20 10 EFCDMN C[C@H]([NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cc(Cl)ccc1[O-] ZINC000756837963 575790598 /nfs/dbraw/zinc/79/05/98/575790598.db2.gz KHVIEAGBDCBFPC-ZETOZRRWSA-N 0 1 348.834 2.624 20 10 EFCDMN CCN(CCNC(=O)/C=C/c1ccc(O)c(O)c1)CCC(F)(F)F ZINC000757619013 575845546 /nfs/dbraw/zinc/84/55/46/575845546.db2.gz REAPYCPGWNGVSW-GQCTYLIASA-N 0 1 346.349 2.502 20 10 EFCDMN C[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccc(Br)cc1[O-] ZINC000757659896 575848105 /nfs/dbraw/zinc/84/81/05/575848105.db2.gz UGOYKMPERUXWDP-HZMBPMFUSA-N 0 1 344.249 2.593 20 10 EFCDMN O=C1NN(c2ccccc2)C(=O)/C1=C/C=C\c1ccc(F)cc1F ZINC000758062293 575859081 /nfs/dbraw/zinc/85/90/81/575859081.db2.gz IXHKSPJEGXMGGV-DAXCDELTSA-N 0 1 326.302 2.982 20 10 EFCDMN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1F ZINC000758168998 575861718 /nfs/dbraw/zinc/86/17/18/575861718.db2.gz JSEAUUXSBMJGPV-UHFFFAOYSA-N 0 1 346.723 2.894 20 10 EFCDMN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000758774327 575877292 /nfs/dbraw/zinc/87/72/92/575877292.db2.gz PNKOLCOPUCZZKR-UHFFFAOYSA-N 0 1 327.308 2.674 20 10 EFCDMN COc1ccc(N2CCN(CCNc3cc(C)ccn3)CC2)cc1 ZINC000759692500 575921965 /nfs/dbraw/zinc/92/19/65/575921965.db2.gz OFNRTEGNEFQAGY-UHFFFAOYSA-N 0 1 326.444 2.633 20 10 EFCDMN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CN(C)[C@H]1CCSC1 ZINC000760886645 576085131 /nfs/dbraw/zinc/08/51/31/576085131.db2.gz CIGOCNJPQWYLIB-SFHVURJKSA-N 0 1 349.544 2.927 20 10 EFCDMN COc1cc(Cl)cc(CN2CCC[C@H](N3CCCC3=O)C2)c1O ZINC000761199346 576128393 /nfs/dbraw/zinc/12/83/93/576128393.db2.gz LRKBRGACVHSNLP-AWEZNQCLSA-N 0 1 338.835 2.641 20 10 EFCDMN COc1cccc(CN2CCN(C(=O)C(C)(C)C)CC2(C)C)c1O ZINC000761215238 576130778 /nfs/dbraw/zinc/13/07/78/576130778.db2.gz HJGAIWHOBSKCAH-UHFFFAOYSA-N 0 1 334.460 2.870 20 10 EFCDMN CCN(CC)c1ccc(CN2CC[C@@H](NC(=O)NC3CC3)C2)cc1F ZINC000761230409 576133650 /nfs/dbraw/zinc/13/36/50/576133650.db2.gz XHYHTGCXTUJOLU-MRXNPFEDSA-N 0 1 348.466 2.708 20 10 EFCDMN COc1cc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)ccn1 ZINC000762926833 576348029 /nfs/dbraw/zinc/34/80/29/576348029.db2.gz VLUSRYQNYNCMIY-KRWDZBQOSA-N 0 1 328.412 2.977 20 10 EFCDMN COc1ccc2ccc(O)c(CN3CCC[C@H](S(C)(=O)=O)C3)c2c1 ZINC000763379822 576375048 /nfs/dbraw/zinc/37/50/48/576375048.db2.gz GCOFEEJPXVLMGK-HNNXBMFYSA-N 0 1 349.452 2.563 20 10 EFCDMN CCN(CCc1ccccc1)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000764191195 576439910 /nfs/dbraw/zinc/43/99/10/576439910.db2.gz FNOTUUQJOWHHMD-UHFFFAOYSA-N 0 1 339.483 2.933 20 10 EFCDMN C[NH+](C)CCCCC(=O)NCc1cccc(Br)c1[O-] ZINC000765757597 577073339 /nfs/dbraw/zinc/07/33/39/577073339.db2.gz ROINHOFZDRHQIA-UHFFFAOYSA-N 0 1 329.238 2.503 20 10 EFCDMN CCN1C[C@@H](C)N(C(=O)NCc2ccc(N(C)C)cc2C)C[C@@H]1C ZINC000766244930 577125882 /nfs/dbraw/zinc/12/58/82/577125882.db2.gz FGBHQVVETZIALT-JKSUJKDBSA-N 0 1 332.492 2.685 20 10 EFCDMN CCN1C[C@H](C)N(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@@H]1C ZINC000766250920 577127206 /nfs/dbraw/zinc/12/72/06/577127206.db2.gz LUWPDQXVVGKYEA-HOTGVXAUSA-N 0 1 344.503 2.693 20 10 EFCDMN C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccn1 ZINC000766726631 577179883 /nfs/dbraw/zinc/17/98/83/577179883.db2.gz VSSYADKEDJDGLQ-NVXWUHKLSA-N 0 1 338.455 2.634 20 10 EFCDMN C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccn1 ZINC000766726632 577179886 /nfs/dbraw/zinc/17/98/86/577179886.db2.gz VSSYADKEDJDGLQ-RDJZCZTQSA-N 0 1 338.455 2.634 20 10 EFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](CO)[C@H](C)c2ccccc2)c1[O-] ZINC000766978041 577190596 /nfs/dbraw/zinc/19/05/96/577190596.db2.gz NJUCYTRBIUTYGJ-KZULUSFZSA-N 0 1 331.387 2.988 20 10 EFCDMN C[C@@H]1CC[N@@H+](Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)[C@H]2CCCC[C@H]12 ZINC000737751535 577253359 /nfs/dbraw/zinc/25/33/59/577253359.db2.gz MBOHJJHIQQSFJX-KYOSRNDESA-N 0 1 344.415 2.534 20 10 EFCDMN COc1cccc(O)c1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000768152767 577258028 /nfs/dbraw/zinc/25/80/28/577258028.db2.gz XVNTXUAJIYUCHK-UHFFFAOYSA-N 0 1 343.383 2.631 20 10 EFCDMN CN(C)C(=O)N1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000768299274 577265027 /nfs/dbraw/zinc/26/50/27/577265027.db2.gz KCYIQGGPLJANIL-UHFFFAOYSA-N 0 1 339.439 2.858 20 10 EFCDMN C[C@@]1(c2ccccc2)CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 ZINC000768462725 577275922 /nfs/dbraw/zinc/27/59/22/577275922.db2.gz CFSJHFKWWIYWHK-ICSRJNTNSA-N 0 1 341.407 2.566 20 10 EFCDMN COc1cccc(O)c1CN1CCN(c2nccc(C(C)C)n2)CC1 ZINC000768533633 577281317 /nfs/dbraw/zinc/28/13/17/577281317.db2.gz IARMMTTWFHKGIQ-UHFFFAOYSA-N 0 1 342.443 2.636 20 10 EFCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000768842115 577308384 /nfs/dbraw/zinc/30/83/84/577308384.db2.gz QGNGOZCBAJCORQ-NSHDSACASA-N 0 1 340.217 2.689 20 10 EFCDMN COc1cccc(O)c1CN1CCCN(C(=O)c2ccsc2)CC1 ZINC000768919902 577316384 /nfs/dbraw/zinc/31/63/84/577316384.db2.gz INIWAHDYIZJKBY-UHFFFAOYSA-N 0 1 346.452 2.810 20 10 EFCDMN CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000726182968 577353991 /nfs/dbraw/zinc/35/39/91/577353991.db2.gz PPRQPBOOAJKZJW-OAHLLOKOSA-N 0 1 341.455 2.925 20 10 EFCDMN CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000726182968 577353993 /nfs/dbraw/zinc/35/39/93/577353993.db2.gz PPRQPBOOAJKZJW-OAHLLOKOSA-N 0 1 341.455 2.925 20 10 EFCDMN COc1cc(Br)cc(CN(C)Cc2cn[nH]c2)c1O ZINC000769425174 577361773 /nfs/dbraw/zinc/36/17/73/577361773.db2.gz OUMSYDUHLRMWGI-UHFFFAOYSA-N 0 1 326.194 2.518 20 10 EFCDMN COc1cccc(O)c1CN1CCN([C@H](C)c2cccnc2)CC1 ZINC000769425897 577361800 /nfs/dbraw/zinc/36/18/00/577361800.db2.gz YPHCUZZIUQZDTK-OAHLLOKOSA-N 0 1 327.428 2.675 20 10 EFCDMN Cc1cccc(CN(C)Cc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000769478038 577365515 /nfs/dbraw/zinc/36/55/15/577365515.db2.gz BNLQTUQZZSZDMF-UHFFFAOYSA-N 0 1 329.419 2.998 20 10 EFCDMN COc1ccc(-n2c(C)cc(C(=O)OCc3n[nH]c(C)n3)c2C)cc1 ZINC000770641927 581121081 /nfs/dbraw/zinc/12/10/81/581121081.db2.gz AKSOYRBZLUHIPA-UHFFFAOYSA-N 0 1 340.383 2.886 20 10 EFCDMN CC(C)OC[C@@H]1CN(Cc2cccc(Br)c2O)CCO1 ZINC000770688462 581125989 /nfs/dbraw/zinc/12/59/89/581125989.db2.gz JHQNXXCMKJNYSD-ZDUSSCGKSA-N 0 1 344.249 2.781 20 10 EFCDMN CC(C)OC[C@H]1CN(Cc2cccc(Br)c2O)CCO1 ZINC000770688461 581126130 /nfs/dbraw/zinc/12/61/30/581126130.db2.gz JHQNXXCMKJNYSD-CYBMUJFWSA-N 0 1 344.249 2.781 20 10 EFCDMN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000771373520 581204941 /nfs/dbraw/zinc/20/49/41/581204941.db2.gz QHEYJFQHNHMENL-UHFFFAOYSA-N 0 1 335.411 2.776 20 10 EFCDMN CN1CCN(c2ccc(/C=C3/N=C(C(C)(C)C)OC3=O)cc2)CC1 ZINC000771520624 581220308 /nfs/dbraw/zinc/22/03/08/581220308.db2.gz NSWLBTKQYOOCMF-DTQAZKPQSA-N 0 1 327.428 2.781 20 10 EFCDMN CCOCC[N@@H+](C)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000771637010 581229291 /nfs/dbraw/zinc/22/92/91/581229291.db2.gz TVUCHOIXVQAXFC-UHFFFAOYSA-N 0 1 329.396 2.797 20 10 EFCDMN Cc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)ncn1 ZINC000773108460 581397230 /nfs/dbraw/zinc/39/72/30/581397230.db2.gz YPCAFDHDEFPBQP-AWEZNQCLSA-N 0 1 330.407 2.612 20 10 EFCDMN CCc1nc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)n[nH]1 ZINC000773142707 581400440 /nfs/dbraw/zinc/40/04/40/581400440.db2.gz ZTQMPSIQGGCKEC-STQMWFEESA-N 0 1 347.438 2.755 20 10 EFCDMN COc1c([O-])c(CN2CCC[N@@H+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000774863535 581502642 /nfs/dbraw/zinc/50/26/42/581502642.db2.gz OKPVATWKTLVXAG-UHFFFAOYSA-N 0 1 337.420 2.615 20 10 EFCDMN COc1c([O-])c(CN2CCC[N@H+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000774863535 581502643 /nfs/dbraw/zinc/50/26/43/581502643.db2.gz OKPVATWKTLVXAG-UHFFFAOYSA-N 0 1 337.420 2.615 20 10 EFCDMN COc1c([O-])c(C[N@@H+](C)[C@@H]2C[C@](C)(OC)C2(C)C)ccc1[N+](=O)[O-] ZINC000774916004 581504132 /nfs/dbraw/zinc/50/41/32/581504132.db2.gz XRHNBYQTZWBMFZ-DYVFJYSZSA-N 0 1 338.404 2.944 20 10 EFCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CC[C@H](N3CCCC3)C2)c1O ZINC000740095674 600035080 /nfs/dbraw/zinc/03/50/80/600035080.db2.gz FJMSEQQVWBVDAZ-HNNXBMFYSA-N 0 1 340.423 2.914 20 10 EFCDMN O=C([O-])c1cc2ccccc2c(CN2CC[C@H]([NH+]3CCCC3)C2)c1O ZINC000740095674 600035083 /nfs/dbraw/zinc/03/50/83/600035083.db2.gz FJMSEQQVWBVDAZ-HNNXBMFYSA-N 0 1 340.423 2.914 20 10 EFCDMN C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000736749056 600259702 /nfs/dbraw/zinc/25/97/02/600259702.db2.gz VVQMTEDVYGALFU-DIADJTQKSA-N 0 1 347.436 2.585 20 10 EFCDMN C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000736749056 600259703 /nfs/dbraw/zinc/25/97/03/600259703.db2.gz VVQMTEDVYGALFU-DIADJTQKSA-N 0 1 347.436 2.585 20 10 EFCDMN COC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000737584662 600420506 /nfs/dbraw/zinc/42/05/06/600420506.db2.gz LQUQVWDPWBUCCW-CYBMUJFWSA-N 0 1 343.379 2.629 20 10 EFCDMN C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000736822888 600427567 /nfs/dbraw/zinc/42/75/67/600427567.db2.gz FCWVCUZSUBOGLS-UKRRQHHQSA-N 0 1 340.423 2.912 20 10 EFCDMN C[C@@H]1CN2CCC[C@@H]2C[N@@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000736822888 600427568 /nfs/dbraw/zinc/42/75/68/600427568.db2.gz FCWVCUZSUBOGLS-UKRRQHHQSA-N 0 1 340.423 2.912 20 10 EFCDMN C[C@@H]1CN2CCC[C@@H]2C[N@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000736822888 600427569 /nfs/dbraw/zinc/42/75/69/600427569.db2.gz FCWVCUZSUBOGLS-UKRRQHHQSA-N 0 1 340.423 2.912 20 10 EFCDMN CCC[N@@H+](C)C[C@H]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829458006 600825718 /nfs/dbraw/zinc/82/57/18/600825718.db2.gz HKLYDVVZHWWJAC-KEDPEKRHSA-N 0 1 347.415 2.861 20 10 EFCDMN O=C([O-])c1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000833315523 601603284 /nfs/dbraw/zinc/60/32/84/601603284.db2.gz YCRHEKGNJAGNNE-CQSZACIVSA-N 0 1 331.368 2.865 20 10 EFCDMN COc1ccc(N2CC[NH+](Cc3ccc(C(=O)[O-])c(F)c3)CC2)cc1 ZINC000393130385 601613583 /nfs/dbraw/zinc/61/35/83/601613583.db2.gz LISOOEJXQAWAJI-UHFFFAOYSA-N 0 1 344.386 2.855 20 10 EFCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CC[C@]3(CCOC3)C2)c1O ZINC000833307264 601634624 /nfs/dbraw/zinc/63/46/24/601634624.db2.gz GYYUJOZHIKHWHK-IBGZPJMESA-N 0 1 327.380 2.856 20 10 EFCDMN C[C@@H]1C[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C[C@H]1N(C)C ZINC000828457648 601635145 /nfs/dbraw/zinc/63/51/45/601635145.db2.gz VTWCZMXNAQWPOC-SJKOYZFVSA-N 0 1 328.412 2.626 20 10 EFCDMN C[C@@H]1CN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)C[C@H]1[NH+](C)C ZINC000828457648 601635148 /nfs/dbraw/zinc/63/51/48/601635148.db2.gz VTWCZMXNAQWPOC-SJKOYZFVSA-N 0 1 328.412 2.626 20 10 EFCDMN O=C([O-])[C@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000833772454 604529759 /nfs/dbraw/zinc/52/97/59/604529759.db2.gz ODPCKIAQWKCWIX-OAHLLOKOSA-N 0 1 333.388 2.634 20 10 EFCDMN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000833695015 605041634 /nfs/dbraw/zinc/04/16/34/605041634.db2.gz HCTKRCJDSCCUNY-LJQANCHMSA-N 0 1 340.423 2.781 20 10 EFCDMN COc1cc(O)c(C[N@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])cc1OC ZINC000833729564 605247537 /nfs/dbraw/zinc/24/75/37/605247537.db2.gz WRIPHFDALUKLSU-GOSISDBHSA-N 0 1 343.379 2.593 20 10 EFCDMN C[C@H](NCc1ccc(-c2nn[nH]n2)cc1F)c1ccc(N(C)C)cc1 ZINC000820426557 607057387 /nfs/dbraw/zinc/05/73/87/607057387.db2.gz LOTGIOKGFPTSRV-LBPRGKRZSA-N 0 1 340.406 2.923 20 10 EFCDMN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cnc[nH]2)cc1 ZINC000823732461 1265433044 /nfs/dbraw/zinc/43/30/44/1265433044.db2.gz QDCDHNVWQSGHLU-UHFFFAOYSA-N 0 1 326.322 2.680 20 10 EFCDMN C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000850357011 1250447118 /nfs/dbraw/zinc/44/71/18/1250447118.db2.gz VZRRVWHYNZBGSC-VPZZIHKRSA-N 0 1 346.290 2.934 20 10 EFCDMN COCc1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000850405950 1250468093 /nfs/dbraw/zinc/46/80/93/1250468093.db2.gz LQAHVCFGJYPKPI-UHFFFAOYSA-N 0 1 330.428 2.677 20 10 EFCDMN CC(C)Cn1nccc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850406407 1250469552 /nfs/dbraw/zinc/46/95/52/1250469552.db2.gz FYFJPPSSYQSFET-UHFFFAOYSA-N 0 1 342.487 2.790 20 10 EFCDMN OC1CCN(c2ccc(CN[C@@H]3CCCn4nccc43)cc2F)CC1 ZINC000850426910 1250481409 /nfs/dbraw/zinc/48/14/09/1250481409.db2.gz HJRWBCBDIPCGSL-QGZVFWFLSA-N 0 1 344.434 2.608 20 10 EFCDMN CCOC(=O)c1c(C)[nH]nc1CN(C)c1ccc(OC)c(OC)c1 ZINC000851735321 1251237019 /nfs/dbraw/zinc/23/70/19/1251237019.db2.gz SRSKUVUZTZCGQB-UHFFFAOYSA-N 0 1 333.388 2.548 20 10 EFCDMN COC(=O)c1ccc(CNCc2cc(Br)ccc2O)o1 ZINC000734159368 1266896467 /nfs/dbraw/zinc/89/64/67/1266896467.db2.gz CQSXCYZGLYQEHA-UHFFFAOYSA-N 0 1 340.173 2.824 20 10 EFCDMN COC(=O)[C@H](C)Oc1ccccc1CNCc1ccc2c(c1)CCO2 ZINC000921650965 1259460597 /nfs/dbraw/zinc/46/05/97/1259460597.db2.gz PUUVHXSCPPJVLQ-AWEZNQCLSA-N 0 1 341.407 2.852 20 10 EFCDMN COc1ccc(O)c([C@H](C)NCc2c(Br)cnn2C)c1 ZINC000710554921 1259828634 /nfs/dbraw/zinc/82/86/34/1259828634.db2.gz ZYCDHSKBVSUJTQ-VIFPVBQESA-N 0 1 340.221 2.748 20 10 EFCDMN O=C(NC1CCCC1)[C@@H]1CC12CCN(Cc1ccc(O)c(O)c1)CC2 ZINC001272903282 1261294564 /nfs/dbraw/zinc/29/45/64/1261294564.db2.gz PWDJCJWTQUBOPL-INIZCTEOSA-N 0 1 344.455 2.759 20 10 EFCDMN CS(=O)(=O)c1ccccc1CC[NH2+]Cc1c([O-])cccc1Cl ZINC000922680599 1266567914 /nfs/dbraw/zinc/56/79/14/1266567914.db2.gz SYLWRGDILCHKHV-UHFFFAOYSA-N 0 1 339.844 2.781 20 10 EFCDMN NC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824645462 1278212131 /nfs/dbraw/zinc/21/21/31/1278212131.db2.gz JEGYIICVGIQDST-LLVKDONJSA-N 0 1 341.249 2.632 20 10 EFCDMN NC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824645462 1278212134 /nfs/dbraw/zinc/21/21/34/1278212134.db2.gz JEGYIICVGIQDST-LLVKDONJSA-N 0 1 341.249 2.632 20 10 EFCDMN CS(=O)(=O)Nc1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000733322220 1265168125 /nfs/dbraw/zinc/16/81/25/1265168125.db2.gz CXKATGJHWBDEAS-UHFFFAOYSA-N 0 1 340.832 2.707 20 10 EFCDMN CC[C@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](Cc3c([O-])cccc3F)C2)C1=O ZINC001273265369 1265209279 /nfs/dbraw/zinc/20/92/79/1265209279.db2.gz FVAILHVJTNSBIW-ORAYPTAESA-N 0 1 348.418 2.671 20 10 EFCDMN CC(C)=CCN1CC[C@]2(CC[N@@H+](Cc3c([O-])cccc3F)C2)C1=O ZINC001273265804 1265225505 /nfs/dbraw/zinc/22/55/05/1265225505.db2.gz LBCAGEWVWXMCGL-IBGZPJMESA-N 0 1 332.419 2.922 20 10 EFCDMN COc1ccc(N2CCC(NCc3nn(C)cc3Cl)CC2)cc1 ZINC000824758684 1278285249 /nfs/dbraw/zinc/28/52/49/1278285249.db2.gz ZPERQZLWRHMQOZ-UHFFFAOYSA-N 0 1 334.851 2.841 20 10 EFCDMN CCOc1cccc(CN2CCN(c3ccnc(F)c3)CC2)c1O ZINC000824805951 1278293101 /nfs/dbraw/zinc/29/31/01/1278293101.db2.gz UOWXADNKCQOSIU-UHFFFAOYSA-N 0 1 331.391 2.647 20 10 EFCDMN C[C@H]1CCCN(CC[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825113475 1278416170 /nfs/dbraw/zinc/41/61/70/1278416170.db2.gz DSAUSPUZUOVXGG-LBPRGKRZSA-N 0 1 327.266 2.976 20 10 EFCDMN COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccc(O)cc1C ZINC000740705928 1269030230 /nfs/dbraw/zinc/03/02/30/1269030230.db2.gz PYDWPVNUYMONFO-UHFFFAOYSA-N 0 1 335.381 2.596 20 10 EFCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2C[C@H](C)C[C@H]2C)c1 ZINC000740857658 1269136469 /nfs/dbraw/zinc/13/64/69/1269136469.db2.gz AKMLCOSUYOFPKZ-HUUCEWRRSA-N 0 1 346.471 2.657 20 10 EFCDMN CO[C@H](C[NH2+]Cc1ccc(Br)cc1[O-])C(F)(F)F ZINC000825254250 1278487975 /nfs/dbraw/zinc/48/79/75/1278487975.db2.gz OAQPENLVQKGGKR-SNVBAGLBSA-N 0 1 328.128 2.822 20 10 EFCDMN CCN(CC)c1ccc(CN2CCC[C@@H](NC(=O)N(C)C)C2)cc1 ZINC000825278296 1278491896 /nfs/dbraw/zinc/49/18/96/1278491896.db2.gz BEBANMMZSPIHMQ-QGZVFWFLSA-N 0 1 332.492 2.768 20 10 EFCDMN CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000825278470 1278492790 /nfs/dbraw/zinc/49/27/90/1278492790.db2.gz CPYLLNPKBYIQLJ-MRXNPFEDSA-N 0 1 327.428 2.781 20 10 EFCDMN CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000825278470 1278492795 /nfs/dbraw/zinc/49/27/95/1278492795.db2.gz CPYLLNPKBYIQLJ-MRXNPFEDSA-N 0 1 327.428 2.781 20 10 EFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1Cl ZINC000825291362 1278495135 /nfs/dbraw/zinc/49/51/35/1278495135.db2.gz KARGEXWKYWFVDF-STQMWFEESA-N 0 1 331.865 2.799 20 10 EFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1Cl ZINC000825291360 1278495524 /nfs/dbraw/zinc/49/55/24/1278495524.db2.gz KARGEXWKYWFVDF-OLZOCXBDSA-N 0 1 331.865 2.799 20 10 EFCDMN CN(C)c1ccc(CN(CCN2CCOCC2)Cc2ccco2)cc1 ZINC000825305054 1278499338 /nfs/dbraw/zinc/49/93/38/1278499338.db2.gz BGSKFPWVEUAJOM-UHFFFAOYSA-N 0 1 343.471 2.680 20 10 EFCDMN CCN(CC)c1ccc(CN(C)CC(=O)NC(=O)NC(C)(C)C)cc1 ZINC000741678080 1269655308 /nfs/dbraw/zinc/65/53/08/1269655308.db2.gz JBTWDIWNFOVQIK-UHFFFAOYSA-N 0 1 348.491 2.589 20 10 EFCDMN Cc1ccc(O)c(CN(CCN2CCOCC2)Cc2ccco2)c1 ZINC000825305966 1278499819 /nfs/dbraw/zinc/49/98/19/1278499819.db2.gz XIBMNLSJTOXDGJ-UHFFFAOYSA-N 0 1 330.428 2.628 20 10 EFCDMN CN1C(=O)C2(CCCC2)N[C@@H]1c1cccc(Br)c1O ZINC000742439229 1270062951 /nfs/dbraw/zinc/06/29/51/1270062951.db2.gz JZRVGZFWEIZPFH-LBPRGKRZSA-N 0 1 325.206 2.528 20 10 EFCDMN CN1C(=O)C2(CCCC2)N[C@H]1c1cccc(Br)c1O ZINC000742439227 1270063755 /nfs/dbraw/zinc/06/37/55/1270063755.db2.gz JZRVGZFWEIZPFH-GFCCVEGCSA-N 0 1 325.206 2.528 20 10 EFCDMN CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825422696 1278547775 /nfs/dbraw/zinc/54/77/75/1278547775.db2.gz QXKHQYGGNWIDHZ-ZJUUUORDSA-N 0 1 329.238 2.548 20 10 EFCDMN CN(CC(=O)NCc1ccccc1)Cc1c(O)ccc(Cl)c1F ZINC000792166555 1278604748 /nfs/dbraw/zinc/60/47/48/1278604748.db2.gz SUKLDXKIVQUMAK-UHFFFAOYSA-N 0 1 336.794 2.933 20 10 EFCDMN COC(=O)[C@H](COC(C)C)N(C)Cc1c(O)ccc(Cl)c1F ZINC000792173431 1278615535 /nfs/dbraw/zinc/61/55/35/1278615535.db2.gz VXTKZKJLDWQOMN-LBPRGKRZSA-N 0 1 333.787 2.583 20 10 EFCDMN C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000702603456 1271556226 /nfs/dbraw/zinc/55/62/26/1271556226.db2.gz NDVGXCUEBIAPDZ-OXJNMPFZSA-N 0 1 326.440 2.680 20 10 EFCDMN O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC001168987316 1272589086 /nfs/dbraw/zinc/58/90/86/1272589086.db2.gz IBGUCJXGZCZYLG-SKDRFNHKSA-N 0 1 329.194 2.690 20 10 EFCDMN Cc1cc(C)c(O)c(CN2CCN(C(=O)N3CCCCC3)CC2)c1 ZINC000844257308 1278835524 /nfs/dbraw/zinc/83/55/24/1278835524.db2.gz BDGBNLBRNINERF-UHFFFAOYSA-N 0 1 331.460 2.733 20 10 EFCDMN COCCC[N@H+](CCOC)Cc1c([O-])cccc1Br ZINC000707144554 1275327895 /nfs/dbraw/zinc/32/78/95/1275327895.db2.gz PDADECRVZFRVMO-UHFFFAOYSA-N 0 1 332.238 2.640 20 10 EFCDMN COCCC[N@@H+](CCOC)Cc1c([O-])cccc1Br ZINC000707144554 1275327904 /nfs/dbraw/zinc/32/79/04/1275327904.db2.gz PDADECRVZFRVMO-UHFFFAOYSA-N 0 1 332.238 2.640 20 10 EFCDMN CCC(C)(C)NC(=O)[C@H](C)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844399507 1278948555 /nfs/dbraw/zinc/94/85/55/1278948555.db2.gz KWCRSXWAPDNNEQ-HNNXBMFYSA-N 0 1 335.492 2.757 20 10 EFCDMN CCOc1ccc(O)c(CNCc2ccc(S(C)(=O)=O)s2)c1 ZINC000786827349 1275533862 /nfs/dbraw/zinc/53/38/62/1275533862.db2.gz MINKDHNQJZIMCW-UHFFFAOYSA-N 0 1 341.454 2.546 20 10 EFCDMN COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])[C@@H]1C ZINC000787326811 1275758118 /nfs/dbraw/zinc/75/81/18/1275758118.db2.gz KDRLTYKOYUFKRF-NOZJJQNGSA-N 0 1 325.792 2.632 20 10 EFCDMN COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])[C@@H]1C ZINC000787326811 1275758121 /nfs/dbraw/zinc/75/81/21/1275758121.db2.gz KDRLTYKOYUFKRF-NOZJJQNGSA-N 0 1 325.792 2.632 20 10 EFCDMN O=C(Nc1cnc(-c2ccccc2)nc1)c1c(F)ccc(O)c1O ZINC000788277645 1276126931 /nfs/dbraw/zinc/12/69/31/1276126931.db2.gz JXWKXGHARMLUCG-UHFFFAOYSA-N 0 1 325.299 2.946 20 10 EFCDMN C[C@@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1cc(F)cc(F)c1[O-] ZINC000817953109 1276397894 /nfs/dbraw/zinc/39/78/94/1276397894.db2.gz NEYFZCZUAVXHIO-LLVKDONJSA-N 0 1 334.370 2.648 20 10 EFCDMN CCN1CCCC[C@H]1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819583468 1276825475 /nfs/dbraw/zinc/82/54/75/1276825475.db2.gz WVVBDOSHLIXDCE-APWZRJJASA-N 0 1 345.487 2.512 20 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[O-]c1cc(F)c(Br)cc1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC001144300254 1279380947 /nfs/dbraw/zinc/38/09/47/1279380947.db2.gz ZGDOKLMVCKOTMH-GFCCVEGCSA-N 0 1 343.240 2.964 20 10 EFCDMN C[C@@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2[O-])C[C@]1(C)O ZINC001144298556 1279386381 /nfs/dbraw/zinc/38/63/81/1279386381.db2.gz GQTZEBCZZWSFOO-OTYXRUKQSA-N 0 1 332.213 2.887 20 10 EFCDMN [O-]c1cc(F)c(Br)cc1CN1CC[N@H+]2CCC[C@H]2C1 ZINC001144299946 1279388731 /nfs/dbraw/zinc/38/87/31/1279388731.db2.gz NBBBMADIMWQDSC-NSHDSACASA-N 0 1 329.213 2.574 20 10 EFCDMN Cn1cc2c(n1)CCN(Cc1cc(Br)c(F)cc1O)C2 ZINC001144306629 1279403870 /nfs/dbraw/zinc/40/38/70/1279403870.db2.gz JVYLVRDKESZTEA-UHFFFAOYSA-N 0 1 340.196 2.586 20 10 EFCDMN COC1CCN(c2ccc(C[N@H+]3CCC[C@@H]3CC(=O)[O-])cc2)CC1 ZINC000846275446 1280094933 /nfs/dbraw/zinc/09/49/33/1280094933.db2.gz SFPGJVGADTXJDL-QGZVFWFLSA-N 0 1 332.444 2.741 20 10 EFCDMN Cc1nccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000804939879 1280403110 /nfs/dbraw/zinc/40/31/10/1280403110.db2.gz 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NC(=O)C[N@@H+](Cc1cc(Br)cc(F)c1[O-])C1CCCC1 ZINC000715758246 1284325005 /nfs/dbraw/zinc/32/50/05/1284325005.db2.gz JNDQTWSGWWNOER-UHFFFAOYSA-N 0 1 345.212 2.524 20 10 EFCDMN O=C(C[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1)c1ccc([O-])c(O)c1 ZINC001170671512 1284980898 /nfs/dbraw/zinc/98/08/98/1284980898.db2.gz YYUUMYAJKDSAAC-CYBMUJFWSA-N 0 1 333.334 2.706 20 10 EFCDMN CC(C)OCCONC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000812952251 1285560968 /nfs/dbraw/zinc/56/09/68/1285560968.db2.gz SSQKIPRVZRSYAV-UHFFFAOYSA-N 0 1 337.203 2.855 20 10 EFCDMN COC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC001172605634 1286199410 /nfs/dbraw/zinc/19/94/10/1286199410.db2.gz ZMXBMGJABNIJDE-GWCFXTLKSA-N 0 1 342.233 2.976 20 10 EFCDMN COC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC001172607202 1286201052 /nfs/dbraw/zinc/20/10/52/1286201052.db2.gz VBAQUYMJPFCXAA-GXFFZTMASA-N 0 1 342.233 2.976 20 10 EFCDMN COc1ccc(N2CCN([C@H](C)CCC(=O)OC(C)C)CC2)cc1 ZINC001172749884 1286256259 /nfs/dbraw/zinc/25/62/59/1286256259.db2.gz 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1288212075 /nfs/dbraw/zinc/21/20/75/1288212075.db2.gz GCZXIERYRMPALO-INIZCTEOSA-N 0 1 325.412 2.581 20 10 EFCDMN CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816569920 1288212156 /nfs/dbraw/zinc/21/21/56/1288212156.db2.gz BFKIZPIKDSAQOS-IBGZPJMESA-N 0 1 331.412 2.728 20 10 EFCDMN CON1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000817173514 1288449343 /nfs/dbraw/zinc/44/93/43/1288449343.db2.gz NUAFJIKMXPQXLR-UHFFFAOYSA-N 0 1 348.230 2.524 20 10 EFCDMN CCOC(=O)c1c(C)[nH]nc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000851950145 1299480849 /nfs/dbraw/zinc/48/08/49/1299480849.db2.gz MLMAQEXCJLCPFR-LBPRGKRZSA-N 0 1 330.432 2.812 20 10 EFCDMN COC(=O)c1c(C[N@H+]2CC[C@@H](OC(C)C)C2)c2ccccc2n1C ZINC001232405363 1312694914 /nfs/dbraw/zinc/69/49/14/1312694914.db2.gz IUBBMEBHGGPIAM-CQSZACIVSA-N 0 1 330.428 2.964 20 10 EFCDMN COC(=O)c1c(CN2CC[C@@H](OC(C)C)C2)c2ccccc2n1C ZINC001232405363 1312694918 /nfs/dbraw/zinc/69/49/18/1312694918.db2.gz IUBBMEBHGGPIAM-CQSZACIVSA-N 0 1 330.428 2.964 20 10 EFCDMN COC(=O)c1c(CN(C)C[C@H]2CCCCO2)c2ccccc2n1C ZINC001232407769 1312695619 /nfs/dbraw/zinc/69/56/19/1312695619.db2.gz TZANUVRDDPIJFH-CQSZACIVSA-N 0 1 330.428 2.966 20 10 EFCDMN CN(Cc1cccs1)c1ccc(CN(C)[C@@H]2CCNC2=O)cc1 ZINC000823489850 1289319778 /nfs/dbraw/zinc/31/97/78/1289319778.db2.gz OIOCDBMSNHAQGW-QGZVFWFLSA-N 0 1 329.469 2.705 20 10 EFCDMN COc1ccc(CNCc2c(C)nn(C)c2C)cc1Cn1cccn1 ZINC000873034356 1289532453 /nfs/dbraw/zinc/53/24/53/1289532453.db2.gz RLBDHWPMPQKDPH-UHFFFAOYSA-N 0 1 339.443 2.580 20 10 EFCDMN COc1ccc(CNC[C@@H](OC)C(F)(F)F)cc1Cn1cccn1 ZINC000873049963 1289540593 /nfs/dbraw/zinc/54/05/93/1289540593.db2.gz NOHLXDAKBODJFV-OAHLLOKOSA-N 0 1 343.349 2.607 20 10 EFCDMN CCc1cc(CNCc2ccc(OC)c(Cn3cccn3)c2)[nH]n1 ZINC000873049743 1289540739 /nfs/dbraw/zinc/54/07/39/1289540739.db2.gz LBWZIABEVKQGDG-UHFFFAOYSA-N 0 1 325.416 2.515 20 10 EFCDMN O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCc2n[nH]nc21 ZINC000824261353 1289593139 /nfs/dbraw/zinc/59/31/39/1289593139.db2.gz BIZUDPPZWGSOAO-MRXNPFEDSA-N 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EFCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)c1cccc(OC)c1 ZINC000876873798 1291053693 /nfs/dbraw/zinc/05/36/93/1291053693.db2.gz QKZIXEVQJSPHJS-IBGZPJMESA-N 0 1 341.455 2.810 20 10 EFCDMN COC(=O)[C@H]1CCCCN1Cc1cccc(Br)c1O ZINC000093441057 1291139893 /nfs/dbraw/zinc/13/98/93/1291139893.db2.gz AXUIKODESFXTCT-GFCCVEGCSA-N 0 1 328.206 2.682 20 10 EFCDMN C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093420954 1291135156 /nfs/dbraw/zinc/13/51/56/1291135156.db2.gz KLSAMVILRBXCEP-BDAKNGLRSA-N 0 1 340.272 2.952 20 10 EFCDMN C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093420954 1291135161 /nfs/dbraw/zinc/13/51/61/1291135161.db2.gz KLSAMVILRBXCEP-BDAKNGLRSA-N 0 1 340.272 2.952 20 10 EFCDMN COC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])cc(Br)cc2F)C1 ZINC001233027151 1312835049 /nfs/dbraw/zinc/83/50/49/1312835049.db2.gz LFSBOQRJNQPGGS-VIFPVBQESA-N 0 1 346.196 2.679 20 10 EFCDMN COC(=O)[C@H]1CCCCCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877187846 1291158137 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CC[N@@H+](C)C[C@@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000093770403 1291214656 /nfs/dbraw/zinc/21/46/56/1291214656.db2.gz HVCIHNWICGSFTM-LBPRGKRZSA-N 0 1 327.266 2.928 20 10 EFCDMN COC(=O)[C@]1(C)CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000093813814 1291218740 /nfs/dbraw/zinc/21/87/40/1291218740.db2.gz RQFCWBRJOQRTSZ-CQSZACIVSA-N 0 1 328.206 2.540 20 10 EFCDMN CCc1nc(C)c(CNCc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000877547553 1291270897 /nfs/dbraw/zinc/27/08/97/1291270897.db2.gz AKSQSFZCOZEIIN-UHFFFAOYSA-N 0 1 329.444 2.796 20 10 EFCDMN Cc1ccc2c(c1)CN(Cc1cc3c(cc1O)OC[C@H]3O)CCO2 ZINC000795712033 1291278893 /nfs/dbraw/zinc/27/88/93/1291278893.db2.gz VJGFUVSERNRYHB-QGZVFWFLSA-N 0 1 327.380 2.521 20 10 EFCDMN COc1cc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)ccc1O ZINC001188069440 1291305019 /nfs/dbraw/zinc/30/50/19/1291305019.db2.gz QVXYACYUPBPCRF-UHFFFAOYSA-N 0 1 349.195 2.903 20 10 EFCDMN Oc1c(CN2CCn3cnc(COCC4CC4)c3C2)ccc(F)c1F ZINC001233074030 1312848653 /nfs/dbraw/zinc/84/86/53/1312848653.db2.gz GJAGCYVPAAEMFP-UHFFFAOYSA-N 0 1 349.381 2.809 20 10 EFCDMN C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])CC[C@]1(O)C(F)(F)F ZINC001233074219 1312848987 /nfs/dbraw/zinc/84/89/87/1312848987.db2.gz LFHROTQTWDENSZ-AMIZOPFISA-N 0 1 325.277 2.806 20 10 EFCDMN [O-]c1c(C[N@H+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)ccc(F)c1F ZINC001233074896 1312849243 /nfs/dbraw/zinc/84/92/43/1312849243.db2.gz ZQNRYOWUTUUAOO-GXFFZTMASA-N 0 1 343.267 2.898 20 10 EFCDMN CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1[O-])C2 ZINC001233074270 1312849284 /nfs/dbraw/zinc/84/92/84/1312849284.db2.gz HVEWSKAUUCXQSD-SUMWQHHRSA-N 0 1 327.371 2.830 20 10 EFCDMN [O-]c1c(C[N@H+]2CCCN(Cc3ccncc3)CC2)ccc(F)c1F ZINC001233074834 1312849332 /nfs/dbraw/zinc/84/93/32/1312849332.db2.gz YBBWLRFDGPHUBL-UHFFFAOYSA-N 0 1 333.382 2.773 20 10 EFCDMN [O-]c1c(CN2CCC[N@H+](Cc3ccncc3)CC2)ccc(F)c1F ZINC001233074834 1312849336 /nfs/dbraw/zinc/84/93/36/1312849336.db2.gz YBBWLRFDGPHUBL-UHFFFAOYSA-N 0 1 333.382 2.773 20 10 EFCDMN [O-]c1c(CN2CCC[N@@H+](Cc3ccncc3)CC2)ccc(F)c1F ZINC001233074834 1312849340 /nfs/dbraw/zinc/84/93/40/1312849340.db2.gz YBBWLRFDGPHUBL-UHFFFAOYSA-N 0 1 333.382 2.773 20 10 EFCDMN O=C(c1ccco1)N1CC[C@H]2C[N@H+](Cc3ccc(F)c(F)c3[O-])C[C@H]21 ZINC001233077962 1312849722 /nfs/dbraw/zinc/84/97/22/1312849722.db2.gz YQGLIOAXZJMNBD-SMDDNHRTSA-N 0 1 348.349 2.610 20 10 EFCDMN [O-]c1c(C[N@@H+]2CCCC[C@](O)(C(F)(F)F)C2)ccc(F)c1F ZINC001233076018 1312849820 /nfs/dbraw/zinc/84/98/20/1312849820.db2.gz JJKOZGSPAAWOFR-CYBMUJFWSA-N 0 1 325.277 2.950 20 10 EFCDMN CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)c(F)c2O)[C@H]2C[C@H]21 ZINC001233075941 1312849964 /nfs/dbraw/zinc/84/99/64/1312849964.db2.gz FORGYQNGSCUULD-QWHCGFSZSA-N 0 1 340.370 2.864 20 10 EFCDMN CC(C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(F)c(F)c3[O-])CC[C@H]21 ZINC001233077286 1312850120 /nfs/dbraw/zinc/85/01/20/1312850120.db2.gz OGFYSIWOYHIMRQ-SWLSCSKDSA-N 0 1 338.398 2.749 20 10 EFCDMN [O-]c1c(C[N@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)ccc(F)c1F ZINC001233077823 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CN(CC(=O)OC(C)(C)C)Cc1cccc(Br)c1O ZINC000126936762 1291525764 /nfs/dbraw/zinc/52/57/64/1291525764.db2.gz CJEJKIPVHNFOSH-UHFFFAOYSA-N 0 1 330.222 2.928 20 10 EFCDMN COc1cc(O)c(C[N@H+]2CCC[C@](C)(O)CC2)cc1Br ZINC001233135602 1312863269 /nfs/dbraw/zinc/86/32/69/1312863269.db2.gz WNHWVGIHPCAILR-HNNXBMFYSA-N 0 1 344.249 2.900 20 10 EFCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@](C)(O)CC2)cc1Br ZINC001233135602 1312863272 /nfs/dbraw/zinc/86/32/72/1312863272.db2.gz WNHWVGIHPCAILR-HNNXBMFYSA-N 0 1 344.249 2.900 20 10 EFCDMN COc1cc([O-])c(C[N@H+]2CCC[C@](C)(O)CC2)cc1Br ZINC001233135602 1312863274 /nfs/dbraw/zinc/86/32/74/1312863274.db2.gz WNHWVGIHPCAILR-HNNXBMFYSA-N 0 1 344.249 2.900 20 10 EFCDMN COc1cc(O)c(C[N@H+]2CCC[C@@](C)(O)CC2)cc1Br ZINC001233135603 1312863550 /nfs/dbraw/zinc/86/35/50/1312863550.db2.gz WNHWVGIHPCAILR-OAHLLOKOSA-N 0 1 344.249 2.900 20 10 EFCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@](C)(O)CC2)cc1Br ZINC001233135603 1312863553 /nfs/dbraw/zinc/86/35/53/1312863553.db2.gz WNHWVGIHPCAILR-OAHLLOKOSA-N 0 1 344.249 2.900 20 10 EFCDMN COc1cc([O-])c(C[N@H+]2CCC[C@@](C)(O)CC2)cc1Br ZINC001233135603 1312863556 /nfs/dbraw/zinc/86/35/56/1312863556.db2.gz WNHWVGIHPCAILR-OAHLLOKOSA-N 0 1 344.249 2.900 20 10 EFCDMN COc1cc([O-])c(C[N@@H+]2CCCC[C@](C)(O)C2)cc1Br ZINC001233135201 1312863724 /nfs/dbraw/zinc/86/37/24/1312863724.db2.gz ONGRMALHPZDNDW-HNNXBMFYSA-N 0 1 344.249 2.900 20 10 EFCDMN COc1cc([O-])c(C[N@H+]2CCCC[C@](C)(O)C2)cc1Br ZINC001233135201 1312863726 /nfs/dbraw/zinc/86/37/26/1312863726.db2.gz ONGRMALHPZDNDW-HNNXBMFYSA-N 0 1 344.249 2.900 20 10 EFCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)cc1Br ZINC001233134848 1312863750 /nfs/dbraw/zinc/86/37/50/1312863750.db2.gz GFBOKRJZCSLGIP-GWCFXTLKSA-N 0 1 344.249 2.756 20 10 EFCDMN COc1cc([O-])c(C[N@H+]2CCC[C@H](C)[C@@H]2CO)cc1Br ZINC001233134848 1312863754 /nfs/dbraw/zinc/86/37/54/1312863754.db2.gz GFBOKRJZCSLGIP-GWCFXTLKSA-N 0 1 344.249 2.756 20 10 EFCDMN COc1cc(O)c(CN2CC[C@@]3(CCCO3)C2)cc1Br ZINC001233138164 1312864381 /nfs/dbraw/zinc/86/43/81/1312864381.db2.gz WSMMANPONGEHFU-HNNXBMFYSA-N 0 1 342.233 2.918 20 10 EFCDMN COc1cc(O)c(C[N@H+]2CC[C@H]3COC[C@@H]3C2)cc1Br ZINC001233141247 1312864965 /nfs/dbraw/zinc/86/49/65/1312864965.db2.gz HTHQZWUVAQQJLI-JQWIXIFHSA-N 0 1 342.233 2.632 20 10 EFCDMN COc1cc([O-])c(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)cc1Br ZINC001233141247 1312864967 /nfs/dbraw/zinc/86/49/67/1312864967.db2.gz HTHQZWUVAQQJLI-JQWIXIFHSA-N 0 1 342.233 2.632 20 10 EFCDMN COc1cc([O-])c(C[N@H+]2CC[C@H]3COC[C@@H]3C2)cc1Br ZINC001233141247 1312864971 /nfs/dbraw/zinc/86/49/71/1312864971.db2.gz HTHQZWUVAQQJLI-JQWIXIFHSA-N 0 1 342.233 2.632 20 10 EFCDMN COc1cc(O)c(CN2CC[C@H](O)C[C@H]2C)cc1Br ZINC001233140321 1312865287 /nfs/dbraw/zinc/86/52/87/1312865287.db2.gz DUWPZUQWMDSCGD-KOLCDFICSA-N 0 1 330.222 2.509 20 10 EFCDMN CCC(CC)NC(=O)[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000127222984 1291726556 /nfs/dbraw/zinc/72/65/56/1291726556.db2.gz YIPFAXSBNOBWFO-INIZCTEOSA-N 0 1 347.503 2.648 20 10 EFCDMN Cn1c(CNCc2cc3c(cc2O)OCO3)nc2cccc(Cl)c21 ZINC000775318449 1291850165 /nfs/dbraw/zinc/85/01/65/1291850165.db2.gz IACIZZNXWQMSFK-UHFFFAOYSA-N 0 1 345.786 2.951 20 10 EFCDMN CCOC(=O)c1c(CN2CCC(OC)CC2)c2ccccc2n1C ZINC001233270691 1312890382 /nfs/dbraw/zinc/89/03/82/1312890382.db2.gz WUKMHICJJXWPKV-UHFFFAOYSA-N 0 1 330.428 2.966 20 10 EFCDMN CCOC(=O)c1c(C[N@@H+](C)[C@H]2CCCOC2)c2ccccc2n1C ZINC001233273719 1312890722 /nfs/dbraw/zinc/89/07/22/1312890722.db2.gz PBDJSMITAJFVTJ-AWEZNQCLSA-N 0 1 330.428 2.966 20 10 EFCDMN CCOC(=O)c1c(CN(C)[C@H]2CCCOC2)c2ccccc2n1C ZINC001233273719 1312890725 /nfs/dbraw/zinc/89/07/25/1312890725.db2.gz PBDJSMITAJFVTJ-AWEZNQCLSA-N 0 1 330.428 2.966 20 10 EFCDMN CCOC(=O)c1c(CN2CC[N@@H+](CC)[C@H](C)C2)c2ccccc2n1C ZINC001233273456 1312891002 /nfs/dbraw/zinc/89/10/02/1312891002.db2.gz CSQJKCKAYBEKAV-OAHLLOKOSA-N 0 1 343.471 2.881 20 10 EFCDMN CCOC(=O)c1c(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)c2ccccc2n1C ZINC001233272863 1312891471 /nfs/dbraw/zinc/89/14/71/1312891471.db2.gz FGNBJVRBJPVWHD-KSSFIOAISA-N 0 1 342.439 2.966 20 10 EFCDMN CSC1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000879096498 1291965104 /nfs/dbraw/zinc/96/51/04/1291965104.db2.gz UXHBCJZQNRSBPN-UHFFFAOYSA-N 0 1 335.517 2.538 20 10 EFCDMN COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2O)[C@H]1C ZINC001233290297 1312896082 /nfs/dbraw/zinc/89/60/82/1312896082.db2.gz VIFWZWKDABJZMM-GXFFZTMASA-N 0 1 327.808 2.828 20 10 EFCDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc(F)c2F)CC[C@]1(O)C(F)(F)F ZINC001233332656 1312904821 /nfs/dbraw/zinc/90/48/21/1312904821.db2.gz SRMJDHREWRWQFP-AMIZOPFISA-N 0 1 325.277 2.806 20 10 EFCDMN [O-]c1ccc(F)c(F)c1C[N@@H+]1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001233332511 1312904966 /nfs/dbraw/zinc/90/49/66/1312904966.db2.gz NHLAPIPNMBCQNH-ZDUSSCGKSA-N 0 1 325.277 2.950 20 10 EFCDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc(F)c2F)CC[C@@]1(O)C(F)(F)F ZINC001233332658 1312905015 /nfs/dbraw/zinc/90/50/15/1312905015.db2.gz SRMJDHREWRWQFP-OQPBUACISA-N 0 1 325.277 2.806 20 10 EFCDMN CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3c([O-])ccc(F)c3F)C[C@H]21 ZINC001233332194 1312905217 /nfs/dbraw/zinc/90/52/17/1312905217.db2.gz BTQYCXIQZALNNJ-RTUWITSCSA-N 0 1 340.370 2.625 20 10 EFCDMN CC(C)C(=O)N1CC[C@H]2C[N@@H+](Cc3c([O-])ccc(F)c3F)CC[C@H]21 ZINC001233334134 1312906073 /nfs/dbraw/zinc/90/60/73/1312906073.db2.gz VQWRCTWSNKBALU-SWLSCSKDSA-N 0 1 338.398 2.749 20 10 EFCDMN CC[N@H+]([C@H]1CCOC1)C1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233335331 1312906343 /nfs/dbraw/zinc/90/63/43/1312906343.db2.gz QNQMJQITJTYWFN-AWEZNQCLSA-N 0 1 340.414 2.746 20 10 EFCDMN CC[N@@H+]([C@H]1CCOC1)C1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233335331 1312906344 /nfs/dbraw/zinc/90/63/44/1312906344.db2.gz QNQMJQITJTYWFN-AWEZNQCLSA-N 0 1 340.414 2.746 20 10 EFCDMN O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001233334158 1312906787 /nfs/dbraw/zinc/90/67/87/1312906787.db2.gz WDKQVFKHAZIJPY-SFHVURJKSA-N 0 1 330.334 2.766 20 10 EFCDMN CC(C)C(=O)N1CC[C@@H]2C[N@@H+](Cc3c([O-])ccc(F)c3F)CC[C@H]21 ZINC001233334133 1312906848 /nfs/dbraw/zinc/90/68/48/1312906848.db2.gz VQWRCTWSNKBALU-IUODEOHRSA-N 0 1 338.398 2.749 20 10 EFCDMN C[C@H](CO)C1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000826139890 1292322411 /nfs/dbraw/zinc/32/24/11/1292322411.db2.gz RJWLHCJGKXKVOU-LLVKDONJSA-N 0 1 328.250 2.995 20 10 EFCDMN CC(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233418531 1312928201 /nfs/dbraw/zinc/92/82/01/1312928201.db2.gz KTUHSUAMFJQNPD-UHFFFAOYSA-N 0 1 330.350 2.854 20 10 EFCDMN [O-]c1c(C[N@H+]2CCC[C@@H](n3ccnn3)C2)cccc1C(F)(F)F ZINC001233419733 1312928546 /nfs/dbraw/zinc/92/85/46/1312928546.db2.gz KQUCDPNCAMTMND-GFCCVEGCSA-N 0 1 326.322 2.840 20 10 EFCDMN COC(=O)[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])CC12CC2 ZINC001233419978 1312928954 /nfs/dbraw/zinc/92/89/54/1312928954.db2.gz VCLZBTAEWHFHCF-GFCCVEGCSA-N 0 1 329.318 2.796 20 10 EFCDMN COC(=O)[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])CC12CC2 ZINC001233419979 1312929001 /nfs/dbraw/zinc/92/90/01/1312929001.db2.gz VCLZBTAEWHFHCF-LBPRGKRZSA-N 0 1 329.318 2.796 20 10 EFCDMN CC[NH+](CC)C[C@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])CCO1 ZINC001233419780 1312929155 /nfs/dbraw/zinc/92/91/55/1312929155.db2.gz MCOQSOTYYAOVDY-AWEZNQCLSA-N 0 1 346.393 2.954 20 10 EFCDMN [O-]c1cc(C(F)(F)F)ccc1C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001233452315 1312934632 /nfs/dbraw/zinc/93/46/32/1312934632.db2.gz RBAXIQGXUPHYDO-LLVKDONJSA-N 0 1 325.277 2.861 20 10 EFCDMN [O-]c1cc(C(F)(F)F)ccc1C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001233452315 1312934636 /nfs/dbraw/zinc/93/46/36/1312934636.db2.gz RBAXIQGXUPHYDO-LLVKDONJSA-N 0 1 325.277 2.861 20 10 EFCDMN CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233453279 1312935371 /nfs/dbraw/zinc/93/53/71/1312935371.db2.gz BHOIEVSCBVLSJH-CHWSQXEVSA-N 0 1 328.334 2.606 20 10 EFCDMN CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233453279 1312935373 /nfs/dbraw/zinc/93/53/73/1312935373.db2.gz BHOIEVSCBVLSJH-CHWSQXEVSA-N 0 1 328.334 2.606 20 10 EFCDMN COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)N1Cc1ccc(C(F)(F)F)cc1O ZINC001233455909 1312935662 /nfs/dbraw/zinc/93/56/62/1312935662.db2.gz DIJUJGSHBDLACB-LQJRIPTKSA-N 0 1 329.318 2.937 20 10 EFCDMN COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CC12CC2 ZINC001233456064 1312935709 /nfs/dbraw/zinc/93/57/09/1312935709.db2.gz JVSRADSOONDYEP-LBPRGKRZSA-N 0 1 329.318 2.796 20 10 EFCDMN COC(=O)[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])CC12CC2 ZINC001233456064 1312935711 /nfs/dbraw/zinc/93/57/11/1312935711.db2.gz JVSRADSOONDYEP-LBPRGKRZSA-N 0 1 329.318 2.796 20 10 EFCDMN COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])CC12CC2 ZINC001233456064 1312935714 /nfs/dbraw/zinc/93/57/14/1312935714.db2.gz JVSRADSOONDYEP-LBPRGKRZSA-N 0 1 329.318 2.796 20 10 EFCDMN CCCCCNC(=O)[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000128556048 1292586450 /nfs/dbraw/zinc/58/64/50/1292586450.db2.gz ACHGKAMROZWQNY-KRWDZBQOSA-N 0 1 347.503 2.650 20 10 EFCDMN C[C@H]1CN(Cc2ccccc2)CCN1Cc1cc(O)c(O)cc1O ZINC001233485446 1312939706 /nfs/dbraw/zinc/93/97/06/1312939706.db2.gz WHHRHOKFVJNBBG-AWEZNQCLSA-N 0 1 328.412 2.510 20 10 EFCDMN Oc1cc(O)c(CN2CC3(CC(OCc4ccccc4)C3)C2)cc1O ZINC001233486292 1312940188 /nfs/dbraw/zinc/94/01/88/1312940188.db2.gz HHHHIQXNXYAABB-UHFFFAOYSA-N 0 1 341.407 2.985 20 10 EFCDMN Cc1cccc(N2CCN(Cc3cc(O)c(O)cc3O)CC2)c1C ZINC001233486131 1312940333 /nfs/dbraw/zinc/94/03/33/1312940333.db2.gz ZKHHTTRSVDPZNC-UHFFFAOYSA-N 0 1 328.412 2.742 20 10 EFCDMN C[C@H]1CN(Cc2cc(O)c(O)cc2O)CCN1Cc1ccccc1 ZINC001233486323 1312940641 /nfs/dbraw/zinc/94/06/41/1312940641.db2.gz IRXNCUHVULKVSZ-AWEZNQCLSA-N 0 1 328.412 2.510 20 10 EFCDMN Cc1cc(F)ccc1N1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233486965 1312940773 /nfs/dbraw/zinc/94/07/73/1312940773.db2.gz JXUVHZFBSGTFDI-UHFFFAOYSA-N 0 1 332.375 2.573 20 10 EFCDMN CC[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000775498165 1292752674 /nfs/dbraw/zinc/75/26/74/1292752674.db2.gz XYELKRUYHCUFLF-CYBMUJFWSA-N 0 1 348.896 2.804 20 10 EFCDMN Oc1ccccc1CN1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@@H]21 ZINC001203551516 1312953982 /nfs/dbraw/zinc/95/39/82/1312953982.db2.gz GNVZJUVCMWJLCR-KVSKMBFKSA-N 0 1 326.396 2.598 20 10 EFCDMN Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3c(F)ccc(O)c3[O-])C2)cc1 ZINC000881414862 1292882176 /nfs/dbraw/zinc/88/21/76/1292882176.db2.gz PFPIDDVUGUTMAO-CQSZACIVSA-N 0 1 344.386 2.550 20 10 EFCDMN Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3c(F)ccc(O)c3[O-])C2)cc1 ZINC000881414862 1292882189 /nfs/dbraw/zinc/88/21/89/1292882189.db2.gz PFPIDDVUGUTMAO-CQSZACIVSA-N 0 1 344.386 2.550 20 10 EFCDMN O=C1NCC[C@]12CCC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001203575043 1312961165 /nfs/dbraw/zinc/96/11/65/1312961165.db2.gz CAGMGUAYSLXLJV-HNNXBMFYSA-N 0 1 329.227 2.801 20 10 EFCDMN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCN(c2cncnc2)CC1 ZINC001203582230 1312963187 /nfs/dbraw/zinc/96/31/87/1312963187.db2.gz YOURWMXSNXYJOV-UHFFFAOYSA-N 0 1 339.226 2.811 20 10 EFCDMN CNC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203585323 1312963325 /nfs/dbraw/zinc/96/33/25/1312963325.db2.gz GRMVZPPPPZUULM-NSHDSACASA-N 0 1 332.231 2.592 20 10 EFCDMN CNC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203585323 1312963327 /nfs/dbraw/zinc/96/33/27/1312963327.db2.gz GRMVZPPPPZUULM-NSHDSACASA-N 0 1 332.231 2.592 20 10 EFCDMN COc1cccc(CN2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)c1O ZINC001203590346 1312965467 /nfs/dbraw/zinc/96/54/67/1312965467.db2.gz XNEUFXIVBHTBPJ-UKRRQHHQSA-N 0 1 348.443 2.842 20 10 EFCDMN CCOc1cccc(CN2Cc3cnn(CC)c3[C@@H](COC)C2)c1O ZINC001203608134 1312969830 /nfs/dbraw/zinc/96/98/30/1312969830.db2.gz IYNXBYORNSKKSS-MRXNPFEDSA-N 0 1 345.443 2.753 20 10 EFCDMN CCCCCCOCC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000881851593 1293028941 /nfs/dbraw/zinc/02/89/41/1293028941.db2.gz NHJRTAHSWATBHF-UHFFFAOYSA-N 0 1 347.503 2.652 20 10 EFCDMN C[C@H]1CCC[C@H](C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000881851602 1293029507 /nfs/dbraw/zinc/02/95/07/1293029507.db2.gz XJGDEDSGDOGMND-WMZOPIPTSA-N 0 1 329.488 2.881 20 10 EFCDMN CC(C)CCO[C@@H](C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000881851416 1293029782 /nfs/dbraw/zinc/02/97/82/1293029782.db2.gz JVISXAIZBIDTDY-KRWDZBQOSA-N 0 1 347.503 2.506 20 10 EFCDMN Cc1c(F)cccc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000881853219 1293030648 /nfs/dbraw/zinc/03/06/48/1293030648.db2.gz NTATVKGBGOHHMO-UHFFFAOYSA-N 0 1 341.430 2.816 20 10 EFCDMN COc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)c(O)c1 ZINC001203621229 1312972849 /nfs/dbraw/zinc/97/28/49/1312972849.db2.gz QBBJBYSVRFRFEI-UHFFFAOYSA-N 0 1 330.403 2.858 20 10 EFCDMN CCOC[C@@H]1CN(Cc2ccc(OC)cc2O)Cc2cn(CC)nc21 ZINC001203623379 1312974122 /nfs/dbraw/zinc/97/41/22/1312974122.db2.gz OSUUAQPWDVAINY-INIZCTEOSA-N 0 1 345.443 2.753 20 10 EFCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@@](F)(CO)CC1 ZINC001203636529 1312977767 /nfs/dbraw/zinc/97/77/67/1312977767.db2.gz WHQJKVJUCBTSNB-AWEZNQCLSA-N 0 1 332.213 2.841 20 10 EFCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@@](F)(CO)CC1 ZINC001203636529 1312977770 /nfs/dbraw/zinc/97/77/70/1312977770.db2.gz WHQJKVJUCBTSNB-AWEZNQCLSA-N 0 1 332.213 2.841 20 10 EFCDMN COC(=O)C1(C)CCN(Cc2cc(Br)ccc2O)CC1 ZINC001203642010 1312978944 /nfs/dbraw/zinc/97/89/44/1312978944.db2.gz AOWDYPODOGKKLW-UHFFFAOYSA-N 0 1 342.233 2.930 20 10 EFCDMN CCC(=O)NC1CCN(Cc2cc(Br)ccc2O)CC1 ZINC001203642937 1312979205 /nfs/dbraw/zinc/97/92/05/1312979205.db2.gz QFCIRARVZMMBFS-UHFFFAOYSA-N 0 1 341.249 2.645 20 10 EFCDMN Oc1ccc(Br)cc1CN1CC(N2CCC(F)CC2)C1 ZINC001203646024 1312979520 /nfs/dbraw/zinc/97/95/20/1312979520.db2.gz YTCOEGDHVQHOQS-UHFFFAOYSA-N 0 1 343.240 2.773 20 10 EFCDMN COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])[C@H]1C ZINC001203645950 1312979551 /nfs/dbraw/zinc/97/95/51/1312979551.db2.gz WXVSCUGAEXUMRW-GXFFZTMASA-N 0 1 342.233 2.928 20 10 EFCDMN COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])[C@H]1C ZINC001203645950 1312979553 /nfs/dbraw/zinc/97/95/53/1312979553.db2.gz WXVSCUGAEXUMRW-GXFFZTMASA-N 0 1 342.233 2.928 20 10 EFCDMN COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC001203645403 1312979614 /nfs/dbraw/zinc/97/96/14/1312979614.db2.gz GUBAAXGKAPUVIZ-ZYHUDNBSSA-N 0 1 342.233 2.786 20 10 EFCDMN COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC001203645403 1312979616 /nfs/dbraw/zinc/97/96/16/1312979616.db2.gz GUBAAXGKAPUVIZ-ZYHUDNBSSA-N 0 1 342.233 2.786 20 10 EFCDMN COC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])[C@@H]1C ZINC001203645952 1312979727 /nfs/dbraw/zinc/97/97/27/1312979727.db2.gz WXVSCUGAEXUMRW-MFKMUULPSA-N 0 1 342.233 2.928 20 10 EFCDMN COC(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])[C@@H]1C ZINC001203645952 1312979731 /nfs/dbraw/zinc/97/97/31/1312979731.db2.gz WXVSCUGAEXUMRW-MFKMUULPSA-N 0 1 342.233 2.928 20 10 EFCDMN CC(C)NC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001203665645 1312984223 /nfs/dbraw/zinc/98/42/23/1312984223.db2.gz REOIKMHDYXKDAQ-AWEZNQCLSA-N 0 1 325.840 2.718 20 10 EFCDMN COc1ccnc(OC2CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)n1 ZINC001203665232 1312984429 /nfs/dbraw/zinc/98/44/29/1312984429.db2.gz DDZNWNAALNIJII-UHFFFAOYSA-N 0 1 349.818 2.888 20 10 EFCDMN CCOC[C@@H]1CN(Cc2cc(OC)ccc2O)Cc2cn(CC)nc21 ZINC001203673282 1312986461 /nfs/dbraw/zinc/98/64/61/1312986461.db2.gz UDTQPTYUZGOHOS-INIZCTEOSA-N 0 1 345.443 2.753 20 10 EFCDMN CN1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H](c2ccccc2)C1 ZINC001193589649 1293353782 /nfs/dbraw/zinc/35/37/82/1293353782.db2.gz NTHAHIVXXAHIRJ-OAHLLOKOSA-N 0 1 346.814 2.880 20 10 EFCDMN O=C(Nc1cncc(C(F)(F)F)n1)c1cc(O)c(O)c(Cl)c1 ZINC001193589841 1293353872 /nfs/dbraw/zinc/35/38/72/1293353872.db2.gz RODXHVSOLLLBNP-UHFFFAOYSA-N 0 1 333.653 2.812 20 10 EFCDMN COc1nc(NC(=O)c2cc(O)c(O)c(Cl)c2)cc2cccnc21 ZINC001193589323 1293354088 /nfs/dbraw/zinc/35/40/88/1293354088.db2.gz ITNQAWZOYZSBDA-UHFFFAOYSA-N 0 1 345.742 2.955 20 10 EFCDMN O=C(c1cc(O)c(O)c(Cl)c1)N1CCCc2cc(O)c(O)cc2C1 ZINC001193611437 1293366608 /nfs/dbraw/zinc/36/66/08/1293366608.db2.gz GDEJUECPNPVSIJ-UHFFFAOYSA-N 0 1 349.770 2.751 20 10 EFCDMN O=C(Nc1ccccc1-n1cncn1)c1cc(O)c(O)c(Cl)c1 ZINC001193625716 1293372442 /nfs/dbraw/zinc/37/24/42/1293372442.db2.gz 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/nfs/dbraw/zinc/36/22/76/1108362276.db2.gz SSHWUIBCMANBJR-UHFFFAOYSA-N 0 1 342.443 2.975 20 10 EFCDMN C[C@H]([NH2+]CC1CC2(C1)OCCO2)c1cc(Br)ccc1[O-] ZINC000927002926 1108550825 /nfs/dbraw/zinc/55/08/25/1108550825.db2.gz HNEKLCSAZFJFOX-JTQLQIEISA-N 0 1 342.233 2.958 20 10 EFCDMN C[C@H]1C[N@@H+](Cc2cc(F)cc(Br)c2[O-])CCC[C@H]1O ZINC001235296080 1111725839 /nfs/dbraw/zinc/72/58/39/1111725839.db2.gz HEYZQYJUQHPZAE-TVQRCGJNSA-N 0 1 332.213 2.887 20 10 EFCDMN O=C1N(CC(F)F)CC[C@]12CCC[N@H+]2Cc1c([O-])cc(F)cc1F ZINC001272616088 1111747974 /nfs/dbraw/zinc/74/79/74/1111747974.db2.gz HBBDPKUKHYPGJP-MRXNPFEDSA-N 0 1 346.324 2.502 20 10 EFCDMN O=C1N(CC(F)F)CC[C@]12CCC[N@@H+]2Cc1c([O-])cc(F)cc1F ZINC001272616088 1111747975 /nfs/dbraw/zinc/74/79/75/1111747975.db2.gz HBBDPKUKHYPGJP-MRXNPFEDSA-N 0 1 346.324 2.502 20 10 EFCDMN CC(C)(C)C(=O)CN1CC[C@@]2(CCCN2Cc2ccccc2O)C1=O ZINC001272618349 1111752069 /nfs/dbraw/zinc/75/20/69/1111752069.db2.gz GDTVTKHIQGVOTI-FQEVSTJZSA-N 0 1 344.455 2.574 20 10 EFCDMN CN(C)c1ccc(CN(C)C(=O)c2cccc(-c3nnc[nH]3)c2)cc1 ZINC000157841887 529779902 /nfs/dbraw/zinc/77/99/02/529779902.db2.gz HZSTXXZSQXMMDG-UHFFFAOYSA-N 0 1 335.411 2.810 20 10 EFCDMN CC[C@H]([NH2+][C@H](C)C[S@](C)=O)c1cc(Br)ccc1[O-] ZINC000183861625 201037647 /nfs/dbraw/zinc/03/76/47/201037647.db2.gz BSYXDILSKIPLNI-ZMDDKVTMSA-N 0 1 334.279 2.962 20 10 EFCDMN CCOc1cccc(CN2CCN(c3ccccc3O)CC2)c1O ZINC000158534091 239010920 /nfs/dbraw/zinc/01/09/20/239010920.db2.gz AOQAIZPZOPRSSB-UHFFFAOYSA-N 0 1 328.412 2.819 20 10 EFCDMN Nc1ccc(CC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000164535674 239114778 /nfs/dbraw/zinc/11/47/78/239114778.db2.gz WOHCLNFOKNWEJV-UHFFFAOYSA-N 0 1 341.430 2.731 20 10 EFCDMN COC(=O)C[C@@](C)(NCc1ccc(N(C)C)cc1)c1ccncc1 ZINC000191905659 240010401 /nfs/dbraw/zinc/01/04/01/240010401.db2.gz FONPNQRSWHJRSM-LJQANCHMSA-N 0 1 327.428 2.716 20 10 EFCDMN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000192924802 240073687 /nfs/dbraw/zinc/07/36/87/240073687.db2.gz ILIKKBZBCRYRNZ-INIZCTEOSA-N 0 1 341.411 2.912 20 10 EFCDMN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000192924790 240074600 /nfs/dbraw/zinc/07/46/00/240074600.db2.gz ILIKKBZBCRYRNZ-MRXNPFEDSA-N 0 1 341.411 2.912 20 10 EFCDMN Nc1ccc(CC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000237904672 240249347 /nfs/dbraw/zinc/24/93/47/240249347.db2.gz CEJSXBBEXHPMCM-MRXNPFEDSA-N 0 1 343.496 2.901 20 10 EFCDMN CN(C)c1ccc(CNCc2ccncc2OC[C@H]2CCOC2)cc1 ZINC000288375527 241009890 /nfs/dbraw/zinc/00/98/90/241009890.db2.gz FNDUDHYBYCUVQV-KRWDZBQOSA-N 0 1 341.455 2.853 20 10 EFCDMN CCN1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)[C@H](C)C1 ZINC000288467896 241013959 /nfs/dbraw/zinc/01/39/59/241013959.db2.gz OORQBYYOGKPYOK-OAHLLOKOSA-N 0 1 326.444 2.655 20 10 EFCDMN COc1ccc(CNCc2cc(Cl)cc(OC)c2O)c(OC)n1 ZINC000290897675 241020582 /nfs/dbraw/zinc/02/05/82/241020582.db2.gz LVPQXUWMBCDAOD-UHFFFAOYSA-N 0 1 338.791 2.756 20 10 EFCDMN Cc1cc(CN[C@@]2(CO)CCOc3ccccc32)ccc1N(C)C ZINC000294362448 241045178 /nfs/dbraw/zinc/04/51/78/241045178.db2.gz ZYTIZQBPMFOUGQ-HXUWFJFHSA-N 0 1 326.440 2.821 20 10 EFCDMN CN(C)c1ccc(CN(CC(=O)N(C)Cc2ccco2)C2CC2)cc1 ZINC000298718434 241158571 /nfs/dbraw/zinc/15/85/71/241158571.db2.gz NQOVJZFPSFHNDK-UHFFFAOYSA-N 0 1 341.455 2.969 20 10 EFCDMN CCc1nc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n[nH]1 ZINC000297566237 241126163 /nfs/dbraw/zinc/12/61/63/241126163.db2.gz SINGMIUXNGMNLG-UHFFFAOYSA-N 0 1 344.463 2.553 20 10 EFCDMN CN(C)c1ccc(CN(C)C(=O)NCc2ccc3cncn3c2)cc1 ZINC000297640903 241126902 /nfs/dbraw/zinc/12/69/02/241126902.db2.gz ILBZVVAOCLQTGQ-UHFFFAOYSA-N 0 1 337.427 2.742 20 10 EFCDMN CN(C)c1ccc(CN2CCC([C@H](O)c3ncc[nH]3)CC2)cc1F ZINC000366284702 242348935 /nfs/dbraw/zinc/34/89/35/242348935.db2.gz ONSRZXWCMOJVCL-KRWDZBQOSA-N 0 1 332.423 2.560 20 10 EFCDMN CC(C)[C@@]1(CO)CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000378130789 242522136 /nfs/dbraw/zinc/52/21/36/242522136.db2.gz OCSKKPSZPJGKKZ-HNNXBMFYSA-N 0 1 328.796 2.794 20 10 EFCDMN C[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185365962 296131296 /nfs/dbraw/zinc/13/12/96/296131296.db2.gz GTWDTKVGDYTZFI-NWDGAFQWSA-N 0 1 346.302 2.986 20 10 EFCDMN C[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1cc(Br)ccc1[O-] ZINC000185109646 296146348 /nfs/dbraw/zinc/14/63/48/296146348.db2.gz JBVLNMODFJSOFG-WDEREUQCSA-N 0 1 341.249 2.816 20 10 EFCDMN Oc1cc2c(cc1CN1CCO[C@@]3(CCc4ccccc43)C1)OCO2 ZINC000157202501 285381797 /nfs/dbraw/zinc/38/17/97/285381797.db2.gz ZLQYAMCIJSPSFH-FQEVSTJZSA-N 0 1 339.391 2.795 20 10 EFCDMN C[C@H]([NH2+]CCCN1CCN(C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184900287 289954538 /nfs/dbraw/zinc/95/45/38/289954538.db2.gz NXDYIWKMYPOWDC-LBPRGKRZSA-N 0 1 346.302 2.987 20 10 EFCDMN Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2cccc(Cl)c2[O-])cn1 ZINC000378441582 294273776 /nfs/dbraw/zinc/27/37/76/294273776.db2.gz JHXOIAHDODJDOR-HOCLYGCPSA-N 0 1 335.835 2.867 20 10 EFCDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000111995486 473237917 /nfs/dbraw/zinc/23/79/17/473237917.db2.gz XMDAWSVWUDAGPP-UHFFFAOYSA-N 0 1 347.396 2.996 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)NC(C)(C)C)cc2F)CC1 ZINC000150768628 473351814 /nfs/dbraw/zinc/35/18/14/473351814.db2.gz GDFYFJQFICBQGE-UHFFFAOYSA-N 0 1 336.455 2.565 20 10 EFCDMN C[C@H]([NH2+]CCCC(=O)N(C)C)c1ccc(Br)cc1[O-] ZINC000185194468 473358167 /nfs/dbraw/zinc/35/81/67/473358167.db2.gz JODLMPBXVRQXAB-JTQLQIEISA-N 0 1 329.238 2.674 20 10 EFCDMN CC(C)(C)OC(=O)N1CCN(Cc2c(O)ccc3ccncc32)CC1 ZINC000012776324 471795613 /nfs/dbraw/zinc/79/56/13/471795613.db2.gz UVIDFXPLAZOCHI-UHFFFAOYSA-N 0 1 343.427 2.993 20 10 EFCDMN COc1ccc(N2CCN(CCc3scnc3C)CC2)cc1F ZINC000084866156 472223719 /nfs/dbraw/zinc/22/37/19/472223719.db2.gz JDXYEYXMUBMVLT-UHFFFAOYSA-N 0 1 335.448 2.964 20 10 EFCDMN COc1ccc(N2CCN(C[C@H](O)c3ccccc3)CC2)cc1F ZINC000084866798 472224272 /nfs/dbraw/zinc/22/42/72/472224272.db2.gz PKYLSNNIGXQIHL-SFHVURJKSA-N 0 1 330.403 2.690 20 10 EFCDMN CN(C)c1ccc(CNC(=O)NC[C@H](c2ccsc2)N(C)C)cc1 ZINC000031730619 472391015 /nfs/dbraw/zinc/39/10/15/472391015.db2.gz YBQUGCPZKCQSHS-QGZVFWFLSA-N 0 1 346.500 2.916 20 10 EFCDMN CN(C)c1ccc(CN2CCC[C@@H]2C(=O)NCc2ccco2)cc1 ZINC000128133811 472406750 /nfs/dbraw/zinc/40/67/50/472406750.db2.gz YCRLDAWYNKXRSR-GOSISDBHSA-N 0 1 327.428 2.626 20 10 EFCDMN COCCC[N@H+](CCOC)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000128950459 472511976 /nfs/dbraw/zinc/51/19/76/472511976.db2.gz VLUIHVZVQALOKY-UHFFFAOYSA-N 0 1 329.824 2.733 20 10 EFCDMN COCCC[N@@H+](CCOC)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000128950459 472511978 /nfs/dbraw/zinc/51/19/78/472511978.db2.gz VLUIHVZVQALOKY-UHFFFAOYSA-N 0 1 329.824 2.733 20 10 EFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000119847157 472589744 /nfs/dbraw/zinc/58/97/44/472589744.db2.gz YABWIYYFRFJELC-LBPRGKRZSA-N 0 1 332.835 2.963 20 10 EFCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000119847157 472589753 /nfs/dbraw/zinc/58/97/53/472589753.db2.gz YABWIYYFRFJELC-LBPRGKRZSA-N 0 1 332.835 2.963 20 10 EFCDMN C[C@@H](N[C@H](CO)c1cnn(C)c1)c1ccc(N2CCCCC2)cc1 ZINC000090884920 472663087 /nfs/dbraw/zinc/66/30/87/472663087.db2.gz VWEWWYRHTXWHOX-DNVCBOLYSA-N 0 1 328.460 2.795 20 10 EFCDMN CC[N@H+](CC[C@H]1CCOC1=O)Cc1cc(Br)ccc1[O-] ZINC000120783927 472747141 /nfs/dbraw/zinc/74/71/41/472747141.db2.gz PLQADSXKUCXNMB-NSHDSACASA-N 0 1 342.233 2.930 20 10 EFCDMN CC[N@@H+](CC[C@H]1CCOC1=O)Cc1cc(Br)ccc1[O-] ZINC000120783927 472747144 /nfs/dbraw/zinc/74/71/44/472747144.db2.gz PLQADSXKUCXNMB-NSHDSACASA-N 0 1 342.233 2.930 20 10 EFCDMN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCCN1C ZINC000120996062 472780436 /nfs/dbraw/zinc/78/04/36/472780436.db2.gz XJPIFRMDXOIEDK-CYBMUJFWSA-N 0 1 341.249 2.597 20 10 EFCDMN COc1ccnc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000121050907 472789474 /nfs/dbraw/zinc/78/94/74/472789474.db2.gz JCROLPDQGRLALR-GOSISDBHSA-N 0 1 328.412 2.977 20 10 EFCDMN COc1ccnc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000121050703 472789810 /nfs/dbraw/zinc/78/98/10/472789810.db2.gz JCROLPDQGRLALR-SFHVURJKSA-N 0 1 328.412 2.977 20 10 EFCDMN Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000092011089 472841295 /nfs/dbraw/zinc/84/12/95/472841295.db2.gz KEXNPLMGMUGYNX-BLLLJJGKSA-N 0 1 335.835 2.725 20 10 EFCDMN Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000092011089 472841302 /nfs/dbraw/zinc/84/13/02/472841302.db2.gz KEXNPLMGMUGYNX-BLLLJJGKSA-N 0 1 335.835 2.725 20 10 EFCDMN CCCN(C)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000106584838 472868950 /nfs/dbraw/zinc/86/89/50/472868950.db2.gz AILNLWDVXAXVMP-UHFFFAOYSA-N 0 1 336.455 2.519 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)CC(F)(F)F)cc2F)CC1 ZINC000106702059 472883225 /nfs/dbraw/zinc/88/32/25/472883225.db2.gz MKBDOEZVTFGALY-UHFFFAOYSA-N 0 1 347.356 2.536 20 10 EFCDMN O=C([N-][C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(F)(F)F ZINC000134266227 472889856 /nfs/dbraw/zinc/88/98/56/472889856.db2.gz OEOHVHXLVCALNI-LLVKDONJSA-N 0 1 336.741 2.689 20 10 EFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccncc1 ZINC000158078541 472890227 /nfs/dbraw/zinc/89/02/27/472890227.db2.gz AQUYJPDGNFRTOP-INIZCTEOSA-N 0 1 345.830 2.835 20 10 EFCDMN CCCOCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134265373 472890409 /nfs/dbraw/zinc/89/04/09/472890409.db2.gz ULYABUDKEYGRKH-HNNXBMFYSA-N 0 1 340.851 2.553 20 10 EFCDMN COc1ccc(N2CCN(C[C@@H](O)c3ccc(F)cc3)CC2)cc1F ZINC000121982756 472959000 /nfs/dbraw/zinc/95/90/00/472959000.db2.gz HTZIZQNWYMVORC-GOSISDBHSA-N 0 1 348.393 2.829 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)CC3CCC3)cc2F)CC1 ZINC000080102944 472976567 /nfs/dbraw/zinc/97/65/67/472976567.db2.gz ISGFSOOGGVYEIA-UHFFFAOYSA-N 0 1 333.451 2.774 20 10 EFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000093134107 473049350 /nfs/dbraw/zinc/04/93/50/473049350.db2.gz FDSYTTCIVVMGLN-LBPRGKRZSA-N 0 1 332.835 2.963 20 10 EFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000093134107 473049357 /nfs/dbraw/zinc/04/93/57/473049357.db2.gz FDSYTTCIVVMGLN-LBPRGKRZSA-N 0 1 332.835 2.963 20 10 EFCDMN CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cc(Cl)ccc1[O-])CC2 ZINC000093613676 473126423 /nfs/dbraw/zinc/12/64/23/473126423.db2.gz IOUHJWHLHXCWLD-CVEARBPZSA-N 0 1 325.836 2.798 20 10 EFCDMN COc1ccccc1[C@@H](C)NC(=O)CN(C)Cc1ccccc1O ZINC000111236126 473197870 /nfs/dbraw/zinc/19/78/70/473197870.db2.gz DNAHWHYPMRDOIU-CQSZACIVSA-N 0 1 328.412 2.710 20 10 EFCDMN CN(CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1O ZINC000111236332 473198440 /nfs/dbraw/zinc/19/84/40/473198440.db2.gz WDDAMFHZARXHMH-UHFFFAOYSA-N 0 1 349.452 2.697 20 10 EFCDMN CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185512026 473446780 /nfs/dbraw/zinc/44/67/80/473446780.db2.gz FKGZUQCNQGRLFD-IGJMFERPSA-N 0 1 334.279 2.918 20 10 EFCDMN C[C@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(Br)cc1[O-] ZINC000185639323 473474645 /nfs/dbraw/zinc/47/46/45/473474645.db2.gz MPDOOBFVVKCAIH-TVQRCGJNSA-N 0 1 332.263 2.673 20 10 EFCDMN COc1ccc(O)c(CNC(=O)[C@H]2CCCN2Cc2ccccc2)c1 ZINC000114541971 473480480 /nfs/dbraw/zinc/48/04/80/473480480.db2.gz BUPUTYAAQKBFAK-GOSISDBHSA-N 0 1 340.423 2.682 20 10 EFCDMN Nc1ccc(CCNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000152560862 473577095 /nfs/dbraw/zinc/57/70/95/473577095.db2.gz XVSQHFFHYZBEHM-HXUWFJFHSA-N 0 1 337.467 2.982 20 10 EFCDMN Nc1ccc(CCNC(=O)[C@H]2CCCCN2Cc2ccccc2)cc1 ZINC000152560862 473577098 /nfs/dbraw/zinc/57/70/98/473577098.db2.gz XVSQHFFHYZBEHM-HXUWFJFHSA-N 0 1 337.467 2.982 20 10 EFCDMN Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3cc(Cl)ccc3[O-])C2=O)n(C)n1 ZINC000186083085 473586635 /nfs/dbraw/zinc/58/66/35/473586635.db2.gz RCUWAQXPWJRCFK-BXUZGUMPSA-N 0 1 348.834 2.544 20 10 EFCDMN Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3cc(Cl)ccc3[O-])C2=O)n(C)n1 ZINC000186083029 473586735 /nfs/dbraw/zinc/58/67/35/473586735.db2.gz RCUWAQXPWJRCFK-FZMZJTMJSA-N 0 1 348.834 2.544 20 10 EFCDMN C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cc(Br)ccc1[O-] ZINC000186088005 473587713 /nfs/dbraw/zinc/58/77/13/473587713.db2.gz OJKZNLCFNYBYLP-GXSJLCMTSA-N 0 1 339.233 2.569 20 10 EFCDMN COCCC(=O)N1CCC([NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000186127945 473597002 /nfs/dbraw/zinc/59/70/02/473597002.db2.gz UZKFOMQIZDSVIJ-GFCCVEGCSA-N 0 1 340.851 2.724 20 10 EFCDMN CNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000186223398 473621044 /nfs/dbraw/zinc/62/10/44/473621044.db2.gz NTZDBLMOJZKIRM-SECBINFHSA-N 0 1 329.238 2.578 20 10 EFCDMN CCCC[N@@H+](Cc1cccc(Cl)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000179567958 473695491 /nfs/dbraw/zinc/69/54/91/473695491.db2.gz BUEBAWCHXQZEMC-CYBMUJFWSA-N 0 1 331.865 2.835 20 10 EFCDMN COc1ccc(O)c(CN2CCCN(C(=O)OCC(C)C)CC2)c1 ZINC000179944624 473759964 /nfs/dbraw/zinc/75/99/64/473759964.db2.gz BRMNEZDTTRYXFW-UHFFFAOYSA-N 0 1 336.432 2.701 20 10 EFCDMN C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])C(=O)N1CCCC1 ZINC000281558131 473764198 /nfs/dbraw/zinc/76/41/98/473764198.db2.gz JQQRTZAPQSEDBB-QWRGUYRKSA-N 0 1 341.249 2.816 20 10 EFCDMN O=C(c1cccc(O)c1)N1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000180011053 473774893 /nfs/dbraw/zinc/77/48/93/473774893.db2.gz DKQWIPUFWPBZNB-UHFFFAOYSA-N 0 1 346.814 2.709 20 10 EFCDMN COc1ccc(CN2CCCN(Cc3ccccc3O)CC2=O)cc1 ZINC000274415936 473813082 /nfs/dbraw/zinc/81/30/82/473813082.db2.gz NJWZELIKRTVVAA-UHFFFAOYSA-N 0 1 340.423 2.635 20 10 EFCDMN COc1ccc(OC)c(CN(CCO)Cc2cccc(C)c2O)c1 ZINC000180220265 473831797 /nfs/dbraw/zinc/83/17/97/473831797.db2.gz KHBXGVZXWYWFSX-UHFFFAOYSA-N 0 1 331.412 2.712 20 10 EFCDMN COc1ccc(O)c(CN2CCN([C@@H](C)c3cccnc3)CC2)c1 ZINC000180248889 473838820 /nfs/dbraw/zinc/83/88/20/473838820.db2.gz IRTRWFIMJKBRNA-HNNXBMFYSA-N 0 1 327.428 2.675 20 10 EFCDMN COc1ccc(O)c(CN2CCN(Cc3ccc(Cl)nc3)CC2)c1 ZINC000180324083 473853382 /nfs/dbraw/zinc/85/33/82/473853382.db2.gz BCLZOPNFTUNCAL-UHFFFAOYSA-N 0 1 347.846 2.767 20 10 EFCDMN C[C@@H]1CCCN(c2ccc(CNCc3cnnn3C)cc2Cl)C1 ZINC000281916338 473883624 /nfs/dbraw/zinc/88/36/24/473883624.db2.gz GOQOVUXSEWGGPN-CYBMUJFWSA-N 0 1 333.867 2.995 20 10 EFCDMN C[C@H]1CCCN(c2ccc(CNCc3cnnn3C)cc2Cl)C1 ZINC000281916344 473883989 /nfs/dbraw/zinc/88/39/89/473883989.db2.gz GOQOVUXSEWGGPN-ZDUSSCGKSA-N 0 1 333.867 2.995 20 10 EFCDMN COc1cc(Cl)cc(CN[C@]2(CO)CCOc3ccccc32)c1O ZINC000282167566 473968771 /nfs/dbraw/zinc/96/87/71/473968771.db2.gz DUGUKJQPUDOJRA-SFHVURJKSA-N 0 1 349.814 2.814 20 10 EFCDMN Cc1cc(NS(=O)(=O)c2cccc3c2OCCO3)c(C)c(C)c1O ZINC000274829297 473976223 /nfs/dbraw/zinc/97/62/23/473976223.db2.gz TYWXFOYDQROZQE-UHFFFAOYSA-N 0 1 349.408 2.889 20 10 EFCDMN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H](c1ccco1)N1CCCC1 ZINC000180885657 473980077 /nfs/dbraw/zinc/98/00/77/473980077.db2.gz UVOUIBKOFJLJPC-PMGBHYCQSA-N 0 1 342.395 2.657 20 10 EFCDMN O=S(=O)(CC[NH2+]Cc1c([O-])cccc1Cl)Cc1ccccc1 ZINC000264938043 474162408 /nfs/dbraw/zinc/16/24/08/474162408.db2.gz FBOBCQMRGNVNGQ-UHFFFAOYSA-N 0 1 339.844 2.750 20 10 EFCDMN CCOc1ccc([N+](=O)[O-])cc1CNCc1cccc(OC)c1O ZINC000265116738 474167866 /nfs/dbraw/zinc/16/78/66/474167866.db2.gz ZCSOFEKEKLYMLQ-UHFFFAOYSA-N 0 1 332.356 2.998 20 10 EFCDMN COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000289209920 474184328 /nfs/dbraw/zinc/18/43/28/474184328.db2.gz BXNKQJYSIHJLLG-ZDUSSCGKSA-N 0 1 337.725 2.973 20 10 EFCDMN COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000289209920 474184339 /nfs/dbraw/zinc/18/43/39/474184339.db2.gz BXNKQJYSIHJLLG-ZDUSSCGKSA-N 0 1 337.725 2.973 20 10 EFCDMN COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000289209920 474184342 /nfs/dbraw/zinc/18/43/42/474184342.db2.gz BXNKQJYSIHJLLG-ZDUSSCGKSA-N 0 1 337.725 2.973 20 10 EFCDMN C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000289612048 474345226 /nfs/dbraw/zinc/34/52/26/474345226.db2.gz LGTCXYRFNKOACA-BXUZGUMPSA-N 0 1 345.270 2.994 20 10 EFCDMN COc1c([O-])c(C[NH2+]C(C)(C)c2c(C)noc2C)ccc1[N+](=O)[O-] ZINC000289690515 474379324 /nfs/dbraw/zinc/37/93/24/474379324.db2.gz FLOPBFJPAWGGMB-UHFFFAOYSA-N 0 1 335.360 2.939 20 10 EFCDMN C[C@@H]1CN(c2ccc(CNCc3ccc(CO)o3)cc2F)C[C@@H](C)O1 ZINC000266240132 474426277 /nfs/dbraw/zinc/42/62/77/474426277.db2.gz WXUFLLOFTGAIJT-ZIAGYGMSSA-N 0 1 348.418 2.814 20 10 EFCDMN COc1ccc(N2CCN(CCN[C@H](C)c3cscn3)CC2)cc1 ZINC000271200789 474439210 /nfs/dbraw/zinc/43/92/10/474439210.db2.gz ZGHKBMPAZJSUEK-OAHLLOKOSA-N 0 1 346.500 2.625 20 10 EFCDMN COc1c([O-])c(C[NH2+][C@H]2c3ccccc3O[C@@H]2C)ccc1[N+](=O)[O-] ZINC000289985832 474515406 /nfs/dbraw/zinc/51/54/06/474515406.db2.gz BWOYUSNPQQYFGB-MEBBXXQBSA-N 0 1 330.340 2.921 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CCCCC[C@H]2C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000289987218 474516719 /nfs/dbraw/zinc/51/67/19/474516719.db2.gz ZZTWCBJUZKUJHN-JSGCOSHPSA-N 0 1 338.404 2.825 20 10 EFCDMN CN(C)c1ccc(CN(C[C@H]2CCCS(=O)(=O)C2)C2CC2)cc1 ZINC000283999155 474546438 /nfs/dbraw/zinc/54/64/38/474546438.db2.gz GOMFBRCSCXWOSS-MRXNPFEDSA-N 0 1 336.501 2.542 20 10 EFCDMN Oc1ccc(F)cc1CNCc1ccncc1OC[C@H]1CCOC1 ZINC000290273354 474563863 /nfs/dbraw/zinc/56/38/63/474563863.db2.gz YCUGRSVNSVKHIQ-ZDUSSCGKSA-N 0 1 332.375 2.631 20 10 EFCDMN CC[N@H+](C)Cc1cccc(CNC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC000276594632 474566323 /nfs/dbraw/zinc/56/63/23/474566323.db2.gz NMXDPGLDHULCHE-UHFFFAOYSA-N 0 1 332.375 2.619 20 10 EFCDMN CC[N@@H+](C)Cc1cccc(CNC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC000276594632 474566328 /nfs/dbraw/zinc/56/63/28/474566328.db2.gz NMXDPGLDHULCHE-UHFFFAOYSA-N 0 1 332.375 2.619 20 10 EFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCCN(CC(F)F)CC2)c1[O-] ZINC000290342369 474566919 /nfs/dbraw/zinc/56/69/19/474566919.db2.gz FMWYQADGDRTLHV-UHFFFAOYSA-N 0 1 349.765 2.727 20 10 EFCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1cccc(COC)c1 ZINC000276777279 474570588 /nfs/dbraw/zinc/57/05/88/474570588.db2.gz BPFLIFRAEOVBMZ-UHFFFAOYSA-N 0 1 337.397 2.738 20 10 EFCDMN C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000290563542 474577007 /nfs/dbraw/zinc/57/70/07/474577007.db2.gz SLYMRRFAMWQAKP-MFKMUULPSA-N 0 1 327.812 2.726 20 10 EFCDMN CCOC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184669815 474579558 /nfs/dbraw/zinc/57/95/58/474579558.db2.gz UQWBVFWXSWUODN-LLVKDONJSA-N 0 1 327.808 2.829 20 10 EFCDMN COc1ccc(N2CCN(CCN[C@H](C)c3nccs3)CC2)cc1 ZINC000271598659 474582136 /nfs/dbraw/zinc/58/21/36/474582136.db2.gz VCZCCOAZPUQFQA-OAHLLOKOSA-N 0 1 346.500 2.625 20 10 EFCDMN COc1cc(Cl)cc(CN2CCN(CCOC(C)C)CC2)c1O ZINC000184696778 474587087 /nfs/dbraw/zinc/58/70/87/474587087.db2.gz UEALXIOPXPYIMB-UHFFFAOYSA-N 0 1 342.867 2.597 20 10 EFCDMN CCOC1CC(O)(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])C1 ZINC000278185780 474601922 /nfs/dbraw/zinc/60/19/22/474601922.db2.gz BULPVPVQNXPYKJ-VLRKGOCCSA-N 0 1 344.249 2.735 20 10 EFCDMN COc1c([O-])c(CN2CCC[C@@H]2C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000278304759 474606353 /nfs/dbraw/zinc/60/63/53/474606353.db2.gz WBTLGFXYVCDGAX-OAHLLOKOSA-N 0 1 349.431 2.759 20 10 EFCDMN CCC1(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000267204626 474617137 /nfs/dbraw/zinc/61/71/37/474617137.db2.gz PQTNHHDKTHRLFF-UHFFFAOYSA-N 0 1 345.487 2.514 20 10 EFCDMN COc1c(O)c(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000291560938 474619091 /nfs/dbraw/zinc/61/90/91/474619091.db2.gz NBCMQXAYGWMUBN-CZUORRHYSA-N 0 1 336.388 2.698 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000291560938 474619101 /nfs/dbraw/zinc/61/91/01/474619101.db2.gz NBCMQXAYGWMUBN-CZUORRHYSA-N 0 1 336.388 2.698 20 10 EFCDMN CC(C)(C)c1ncc(CNCc2ccc(N3CCOCC3)cc2)cn1 ZINC000284334346 474622599 /nfs/dbraw/zinc/62/25/99/474622599.db2.gz LARUCLHLXBTEIV-UHFFFAOYSA-N 0 1 340.471 2.901 20 10 EFCDMN CCN1CCN(c2ccc(CNc3nnc(C4CC4)o3)cc2F)CC1 ZINC000278376565 474626347 /nfs/dbraw/zinc/62/63/47/474626347.db2.gz LGKCVUCKPXNGGJ-UHFFFAOYSA-N 0 1 345.422 2.840 20 10 EFCDMN COc1ccc(O)c(CN[C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c1 ZINC000278380352 474627462 /nfs/dbraw/zinc/62/74/62/474627462.db2.gz AQQVQKPYYSQMGY-GFCCVEGCSA-N 0 1 339.399 2.740 20 10 EFCDMN COCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccco1 ZINC000278508593 474669483 /nfs/dbraw/zinc/66/94/83/474669483.db2.gz PJRKSXLHRCGDHO-GFCCVEGCSA-N 0 1 336.344 2.769 20 10 EFCDMN COC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)cc(C(C)=O)c1[O-])CC2 ZINC000267469669 474671853 /nfs/dbraw/zinc/67/18/53/474671853.db2.gz WZLVLFHFEMNDOV-OAHLLOKOSA-N 0 1 335.375 2.509 20 10 EFCDMN CCCOc1ccc(CN2CCCC[C@H](S(C)(=O)=O)C2)c(O)c1 ZINC000278674418 474769566 /nfs/dbraw/zinc/76/95/66/474769566.db2.gz LTZWCTCYSIVLAU-INIZCTEOSA-N 0 1 341.473 2.580 20 10 EFCDMN COC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])[C@@H]1CCCO1 ZINC000278806335 474844501 /nfs/dbraw/zinc/84/45/01/474844501.db2.gz NGFRDOVDHKKRJY-DGFSRKRXSA-N 0 1 344.249 2.999 20 10 EFCDMN COCCOCCC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000273426731 474891244 /nfs/dbraw/zinc/89/12/44/474891244.db2.gz ULXWNARYFYLYAG-NSHDSACASA-N 0 1 332.238 2.858 20 10 EFCDMN C[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc(Br)cc1[O-] ZINC000273466144 474913807 /nfs/dbraw/zinc/91/38/07/474913807.db2.gz DUIPEQWFWMORCP-JTQLQIEISA-N 0 1 341.249 2.851 20 10 EFCDMN C[C@@H](N[C@@H](C)c1ccc(Br)cc1O)c1nncn1C ZINC000273593353 474981355 /nfs/dbraw/zinc/98/13/55/474981355.db2.gz PVGDXLQKGBMTEQ-DTWKUNHWSA-N 0 1 325.210 2.695 20 10 EFCDMN CC(C)n1nccc1CNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000279870980 474996902 /nfs/dbraw/zinc/99/69/02/474996902.db2.gz JOCVTMIMDARVNZ-UHFFFAOYSA-N 0 1 346.450 2.854 20 10 EFCDMN Cc1ccc([C@H](NCc2ccccc2O)[C@H](C)S(C)(=O)=O)cc1 ZINC000280646688 475042365 /nfs/dbraw/zinc/04/23/65/475042365.db2.gz JDVMTVPQCHJZBW-KBXCAEBGSA-N 0 1 333.453 2.965 20 10 EFCDMN O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000294905862 475090842 /nfs/dbraw/zinc/09/08/42/475090842.db2.gz XQFXFHQCUHCMKT-QWHCGFSZSA-N 0 1 330.815 2.827 20 10 EFCDMN O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000294905862 475090851 /nfs/dbraw/zinc/09/08/51/475090851.db2.gz XQFXFHQCUHCMKT-QWHCGFSZSA-N 0 1 330.815 2.827 20 10 EFCDMN CCN1CCN(c2ccc(C[NH2+]Cc3ccncc3C)cc2F)CC1 ZINC000295189148 475110823 /nfs/dbraw/zinc/11/08/23/475110823.db2.gz NVDRKDJVVHFORZ-UHFFFAOYSA-N 0 1 342.462 2.961 20 10 EFCDMN O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CCCc2cn[nH]c21 ZINC000269048364 475146690 /nfs/dbraw/zinc/14/66/90/475146690.db2.gz UFPZCBUKBWDYBR-INIZCTEOSA-N 0 1 340.427 2.871 20 10 EFCDMN Cc1cc(CNCc2ccc(N(C)C)cc2)nc(N2CCCC2)n1 ZINC000292731458 475172830 /nfs/dbraw/zinc/17/28/30/475172830.db2.gz GHJFOXHSPHQDNY-UHFFFAOYSA-N 0 1 325.460 2.741 20 10 EFCDMN Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1cc(Br)ccc1[O-])C2 ZINC000360255625 476296815 /nfs/dbraw/zinc/29/68/15/476296815.db2.gz VSRHZYMNOLRSSJ-AWEZNQCLSA-N 0 1 348.244 2.900 20 10 EFCDMN COc1c([O-])c(C[N@@H+]2CCC[C@H]2c2cn(C)nc2C)ccc1[N+](=O)[O-] ZINC000373209901 476384399 /nfs/dbraw/zinc/38/43/99/476384399.db2.gz MXJDBLZRFHIHQM-AWEZNQCLSA-N 0 1 346.387 2.688 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CCC[C@H]2c2cn(C)nc2C)ccc1[N+](=O)[O-] ZINC000373209901 476384404 /nfs/dbraw/zinc/38/44/04/476384404.db2.gz MXJDBLZRFHIHQM-AWEZNQCLSA-N 0 1 346.387 2.688 20 10 EFCDMN Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2[O-])cn1 ZINC000374258342 476464997 /nfs/dbraw/zinc/46/49/97/476464997.db2.gz VBHOZTNPKZZHPN-RDJZCZTQSA-N 0 1 335.835 2.867 20 10 EFCDMN Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[O-])cn1 ZINC000374258342 476465004 /nfs/dbraw/zinc/46/50/04/476465004.db2.gz VBHOZTNPKZZHPN-RDJZCZTQSA-N 0 1 335.835 2.867 20 10 EFCDMN Cc1nnc(SCCC(=O)NCc2c(C)c3ccccc3n2C)[nH]1 ZINC000352111328 476523585 /nfs/dbraw/zinc/52/35/85/476523585.db2.gz KGGYJCXMQNMTPS-UHFFFAOYSA-N 0 1 343.456 2.712 20 10 EFCDMN Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000377887178 476630524 /nfs/dbraw/zinc/63/05/24/476630524.db2.gz DDJGVUBZOCMKDJ-SNVBAGLBSA-N 0 1 336.779 2.677 20 10 EFCDMN COc1ccc(N2CCCN(Cc3ccnc(OC)c3)CC2)cc1 ZINC000378275108 476689365 /nfs/dbraw/zinc/68/93/65/476689365.db2.gz GODXPXAPNRBWNI-UHFFFAOYSA-N 0 1 327.428 2.811 20 10 EFCDMN CC1(C)CCN(Cc2c(O)ccc(Cl)c2F)CCS1(=O)=O ZINC000377193516 477686163 /nfs/dbraw/zinc/68/61/63/477686163.db2.gz BVFCUNDJPSELQZ-UHFFFAOYSA-N 0 1 335.828 2.584 20 10 EFCDMN C[C@H]1CC(=O)NCCN1Cc1ccc(OCc2ccccc2)cc1O ZINC000368136413 477787935 /nfs/dbraw/zinc/78/79/35/477787935.db2.gz UWTCJVUHCFIFGT-HNNXBMFYSA-N 0 1 340.423 2.682 20 10 EFCDMN CN(C)c1ccc(CN2CCC[C@@H](N3CCCCC3=O)C2)cc1F ZINC000372413454 477794885 /nfs/dbraw/zinc/79/48/85/477794885.db2.gz LHRNUWVIHCGGCH-MRXNPFEDSA-N 0 1 333.451 2.869 20 10 EFCDMN Cc1c2ccccc2n(C)c1CNC(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000472235091 478012869 /nfs/dbraw/zinc/01/28/69/478012869.db2.gz VFCKQBWWZABRFQ-IBGZPJMESA-N 0 1 342.487 2.968 20 10 EFCDMN COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H](C)N[C@@H](C)C3)ccc21 ZINC000570340055 478339737 /nfs/dbraw/zinc/33/97/37/478339737.db2.gz DJKLKGBSEBHOQC-KBPBESRZSA-N 0 1 343.471 2.727 20 10 EFCDMN COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H](C)N[C@H](C)C3)ccc21 ZINC000570340065 478339812 /nfs/dbraw/zinc/33/98/12/478339812.db2.gz DJKLKGBSEBHOQC-ZIAGYGMSSA-N 0 1 343.471 2.727 20 10 EFCDMN CN(C)c1ccc2c(c1)OCCN2C(=O)c1c[nH]nc1C(C)(C)C ZINC000569005001 479134811 /nfs/dbraw/zinc/13/48/11/479134811.db2.gz MODNARFXSSZAHI-UHFFFAOYSA-N 0 1 328.416 2.812 20 10 EFCDMN CC[C@H]([NH2+][C@@H](CCO)COC)c1cc(Br)ccc1[O-] ZINC000229556224 535931076 /nfs/dbraw/zinc/93/10/76/535931076.db2.gz UKBVNQOCVRSGAX-AAEUAGOBSA-N 0 1 332.238 2.593 20 10 EFCDMN CC/C=C(\C)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000171520234 528767638 /nfs/dbraw/zinc/76/76/38/528767638.db2.gz CCACIVSRPMHBGA-GIDUJCDVSA-N 0 1 333.451 2.940 20 10 EFCDMN CC[C@H](C)NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000171693514 529162374 /nfs/dbraw/zinc/16/23/74/529162374.db2.gz XKDZNNREFMAVFS-AWEZNQCLSA-N 0 1 336.455 2.565 20 10 EFCDMN CC(C)N(CC(=O)NCC(F)(F)F)Cc1ccc(N(C)C)cc1 ZINC000298722680 535037546 /nfs/dbraw/zinc/03/75/46/535037546.db2.gz OYQFPVZAZRIISQ-UHFFFAOYSA-N 0 1 331.382 2.642 20 10 EFCDMN CCN(CC)C(=O)CN(C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000296458106 535425746 /nfs/dbraw/zinc/42/57/46/535425746.db2.gz JEPYMDHFEGAJII-UHFFFAOYSA-N 0 1 347.503 2.602 20 10 EFCDMN COc1c([O-])c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000290886617 536861247 /nfs/dbraw/zinc/86/12/47/536861247.db2.gz LBXYCRBHMVMBNT-YOEHRIQHSA-N 0 1 348.399 2.843 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000290886617 536861253 /nfs/dbraw/zinc/86/12/53/536861253.db2.gz LBXYCRBHMVMBNT-YOEHRIQHSA-N 0 1 348.399 2.843 20 10 EFCDMN CCN1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C[C@H]1C ZINC000754196608 575405029 /nfs/dbraw/zinc/40/50/29/575405029.db2.gz QHSMNUBMRKFKLZ-OAHLLOKOSA-N 0 1 326.444 2.655 20 10 EFCDMN COc1cc(CN2CCC[C@@H]2C(=O)NC2CC2)c(O)c(C(C)(C)C)c1 ZINC000754720073 575477001 /nfs/dbraw/zinc/47/70/01/575477001.db2.gz JFQHALJHEGZMIS-QGZVFWFLSA-N 0 1 346.471 2.941 20 10 EFCDMN CN1CCN(c2ccc(C[NH2+]C[C@@H](CC(=O)[O-])C(C)(C)C)cc2)CC1 ZINC000756312476 575715883 /nfs/dbraw/zinc/71/58/83/575715883.db2.gz QHBBBQJVWSHWSV-QGZVFWFLSA-N 0 1 347.503 2.665 20 10 EFCDMN O=C([O-])[C@H](Cc1ccc(O)cc1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000756319866 575717204 /nfs/dbraw/zinc/71/72/04/575717204.db2.gz AUZCMMDIVPCVSB-ZDUSSCGKSA-N 0 1 339.750 2.676 20 10 EFCDMN CN1CCN(c2ccc(C[NH2+][C@H](CCC(C)(C)C)C(=O)[O-])cc2)CC1 ZINC000756380852 575726978 /nfs/dbraw/zinc/72/69/78/575726978.db2.gz GXWZAWJSTZZTID-GOSISDBHSA-N 0 1 347.503 2.808 20 10 EFCDMN CC(C)[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])N1CCN(C)CC1 ZINC000756399520 575731126 /nfs/dbraw/zinc/73/11/26/575731126.db2.gz QLMSGUXUPJCGSC-DYVFJYSZSA-N 0 1 341.446 2.593 20 10 EFCDMN CC(C)[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])N1CCN(C)CC1 ZINC000756399517 575731178 /nfs/dbraw/zinc/73/11/78/575731178.db2.gz QLMSGUXUPJCGSC-CXAGYDPISA-N 0 1 341.446 2.593 20 10 EFCDMN C[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1cc(Br)ccc1[O-] ZINC000756533047 575756096 /nfs/dbraw/zinc/75/60/96/575756096.db2.gz HNYJTIQITCEFIR-VXGBXAGGSA-N 0 1 343.265 2.526 20 10 EFCDMN C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cc(Br)ccc1[O-] ZINC000756545498 575758860 /nfs/dbraw/zinc/75/88/60/575758860.db2.gz MRKPSKJZVQSMOA-RYUDHWBXSA-N 0 1 343.265 2.526 20 10 EFCDMN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000756774319 575785760 /nfs/dbraw/zinc/78/57/60/575785760.db2.gz IHQQNCWNGOSLFY-BIMULSAOSA-N 0 1 341.249 2.720 20 10 EFCDMN CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000756774323 575785774 /nfs/dbraw/zinc/78/57/74/575785774.db2.gz IHQQNCWNGOSLFY-OASPWFOLSA-N 0 1 341.249 2.720 20 10 EFCDMN C[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1cc(Br)ccc1[O-] ZINC000757656624 575847811 /nfs/dbraw/zinc/84/78/11/575847811.db2.gz BSTQHYLWELWQQX-QMTHXVAHSA-N 0 1 344.249 2.593 20 10 EFCDMN COc1ccc(C[N@@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000757917582 575855772 /nfs/dbraw/zinc/85/57/72/575855772.db2.gz JXLDDRMMFLABJR-UHFFFAOYSA-N 0 1 337.763 2.989 20 10 EFCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)CN(C)[C@@H]1CCSC1 ZINC000758003165 575857803 /nfs/dbraw/zinc/85/78/03/575857803.db2.gz KQNCJDQIQCIUPH-QGZVFWFLSA-N 0 1 335.517 2.538 20 10 EFCDMN Cc1c(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cnn1C ZINC000758552271 575872489 /nfs/dbraw/zinc/87/24/89/575872489.db2.gz BNCXQQQOIVCDJY-UHFFFAOYSA-N 0 1 343.431 2.917 20 10 EFCDMN CS(=O)(=O)CCCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000759707712 575923615 /nfs/dbraw/zinc/92/36/15/575923615.db2.gz VQTDKGOLYQKWCA-UHFFFAOYSA-N 0 1 325.474 2.962 20 10 EFCDMN CS(=O)(=O)CCCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000759707712 575923616 /nfs/dbraw/zinc/92/36/16/575923616.db2.gz VQTDKGOLYQKWCA-UHFFFAOYSA-N 0 1 325.474 2.962 20 10 EFCDMN O=S1(=O)CC[C@@H](CC[N@@H+](Cc2ccccc2[O-])C2CCCC2)C1 ZINC000760839285 576079727 /nfs/dbraw/zinc/07/97/27/576079727.db2.gz CBCWQBYAQPZUSP-OAHLLOKOSA-N 0 1 337.485 2.962 20 10 EFCDMN O=S1(=O)CC[C@@H](CC[N@H+](Cc2ccccc2[O-])C2CCCC2)C1 ZINC000760839285 576079730 /nfs/dbraw/zinc/07/97/30/576079730.db2.gz CBCWQBYAQPZUSP-OAHLLOKOSA-N 0 1 337.485 2.962 20 10 EFCDMN CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000760883199 576084661 /nfs/dbraw/zinc/08/46/61/576084661.db2.gz AQHVHHFGHBQUKD-WDBKCZKBSA-N 0 1 344.249 2.999 20 10 EFCDMN CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000760883217 576084716 /nfs/dbraw/zinc/08/47/16/576084716.db2.gz ARZXGWAAWMSTEI-RIEGTJTDSA-N 0 1 344.249 2.999 20 10 EFCDMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1nc2ccc(F)cc2s1 ZINC000761479146 576168220 /nfs/dbraw/zinc/16/82/20/576168220.db2.gz XCDXXYCFGFZVTR-XFXZXTDPSA-N 0 1 339.351 2.897 20 10 EFCDMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1nc2ccc(F)cc2s1 ZINC000761479144 576168311 /nfs/dbraw/zinc/16/83/11/576168311.db2.gz XCDXXYCFGFZVTR-FMIVXFBMSA-N 0 1 339.351 2.897 20 10 EFCDMN CCN(CC)c1ccc(CNC(C)(C)CS(C)(=O)=O)cc1F ZINC000762787301 576331204 /nfs/dbraw/zinc/33/12/04/576331204.db2.gz QGLUOGXKBFUICC-UHFFFAOYSA-N 0 1 330.469 2.585 20 10 EFCDMN CCN(CC)c1ccc(CN(C)C(=O)CN(C)[C@H]2CCSC2)cc1 ZINC000763434442 576377413 /nfs/dbraw/zinc/37/74/13/576377413.db2.gz QMKQWUUJDFJXJH-SFHVURJKSA-N 0 1 349.544 2.929 20 10 EFCDMN CCN(CC)c1ccc(CNC(=O)CN(C)[C@H]2CCSC2)cc1 ZINC000763926430 576411105 /nfs/dbraw/zinc/41/11/05/576411105.db2.gz PVXYWUCCJZRNCB-KRWDZBQOSA-N 0 1 335.517 2.586 20 10 EFCDMN CN(CC(=O)NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCSC1 ZINC000764018407 576422300 /nfs/dbraw/zinc/42/23/00/576422300.db2.gz IEVKIVQOOVZTDW-GOSISDBHSA-N 0 1 347.528 2.730 20 10 EFCDMN Cc1ccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)cn1 ZINC000764886713 576517476 /nfs/dbraw/zinc/51/74/76/576517476.db2.gz RWSDVBNCSXXESG-NTEUORMPSA-N 0 1 333.482 2.685 20 10 EFCDMN CCOc1ccc(CN[C@H](CS(C)(=O)=O)c2ccccc2)c(O)c1 ZINC000765655774 577063195 /nfs/dbraw/zinc/06/31/95/577063195.db2.gz GQBGDAQDAKNXML-QGZVFWFLSA-N 0 1 349.452 2.666 20 10 EFCDMN COc1cccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000765780598 577076297 /nfs/dbraw/zinc/07/62/97/577076297.db2.gz RFDKHSDCWMIQJS-HNNXBMFYSA-N 0 1 327.428 2.778 20 10 EFCDMN CCN1C[C@@H](C)N(C(=O)NCc2ccc(N(C)C)cc2C)C[C@H]1C ZINC000766244928 577126010 /nfs/dbraw/zinc/12/60/10/577126010.db2.gz FGBHQVVETZIALT-HZPDHXFCSA-N 0 1 332.492 2.685 20 10 EFCDMN CCN1C[C@@H](C)N(C(=O)NCCCSc2nccs2)C[C@H]1C ZINC000766247972 577126342 /nfs/dbraw/zinc/12/63/42/577126342.db2.gz GDKDRSNQTBDAFW-CHWSQXEVSA-N 0 1 342.534 2.749 20 10 EFCDMN O=C(NCCCSc1nccs1)N[C@H]1CCCc2cn[nH]c21 ZINC000767096168 577196191 /nfs/dbraw/zinc/19/61/91/577196191.db2.gz GIJIBTDCQZCETR-NSHDSACASA-N 0 1 337.474 2.725 20 10 EFCDMN O=[N+]([O-])c1cc(Cl)cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1[O-] ZINC000725845712 577246731 /nfs/dbraw/zinc/24/67/31/577246731.db2.gz IGFBDHCUCFZVAP-OLZOCXBDSA-N 0 1 325.796 2.670 20 10 EFCDMN O=[N+]([O-])c1cc(Cl)cc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1[O-] ZINC000725845712 577246733 /nfs/dbraw/zinc/24/67/33/577246733.db2.gz IGFBDHCUCFZVAP-OLZOCXBDSA-N 0 1 325.796 2.670 20 10 EFCDMN O=[N+]([O-])c1cc(Cl)cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[O-] ZINC000725845713 577246752 /nfs/dbraw/zinc/24/67/52/577246752.db2.gz IGFBDHCUCFZVAP-QWHCGFSZSA-N 0 1 325.796 2.670 20 10 EFCDMN O=[N+]([O-])c1cc(Cl)cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1[O-] ZINC000725845713 577246755 /nfs/dbraw/zinc/24/67/55/577246755.db2.gz IGFBDHCUCFZVAP-QWHCGFSZSA-N 0 1 325.796 2.670 20 10 EFCDMN Oc1cc2c(cc1CN1CCC[C@H](OCC(F)(F)F)C1)OCO2 ZINC000725846779 577247299 /nfs/dbraw/zinc/24/72/99/577247299.db2.gz MTGXFNBHMCVUHC-NSHDSACASA-N 0 1 333.306 2.664 20 10 EFCDMN C[C@@H]1CC[N@@H+](Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)[C@@H]2CCCC[C@@H]12 ZINC000737751540 577253345 /nfs/dbraw/zinc/25/33/45/577253345.db2.gz MBOHJJHIQQSFJX-OSAQELSMSA-N 0 1 344.415 2.534 20 10 EFCDMN CCOc1ccc(CN2CCN(c3ccccc3O)CC2)c(O)c1 ZINC000768141174 577257259 /nfs/dbraw/zinc/25/72/59/577257259.db2.gz QKEIZDARQOCCKQ-UHFFFAOYSA-N 0 1 328.412 2.819 20 10 EFCDMN COc1cccc(O)c1CN1CCN(c2ccc(Cl)cn2)CC1 ZINC000768253020 577263189 /nfs/dbraw/zinc/26/31/89/577263189.db2.gz VIHPNMYGMKESFK-UHFFFAOYSA-N 0 1 333.819 2.771 20 10 EFCDMN COc1cccc(O)c1CN(Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000768438969 577273557 /nfs/dbraw/zinc/27/35/57/577273557.db2.gz CMKCGGKKYFVXLL-UHFFFAOYSA-N 0 1 326.396 2.664 20 10 EFCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H](CO)Cc1ccco1 ZINC000768842113 577308390 /nfs/dbraw/zinc/30/83/90/577308390.db2.gz QGNGOZCBAJCORQ-LLVKDONJSA-N 0 1 340.217 2.689 20 10 EFCDMN C[N@@H+](Cc1cccc(C(N)=O)c1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768928108 577317388 /nfs/dbraw/zinc/31/73/88/577317388.db2.gz ZYLUAWJAAIIUQA-UHFFFAOYSA-N 0 1 349.774 2.685 20 10 EFCDMN CCOc1ccc(CN2CCN(Cc3cccc(O)c3)CC2)c(O)c1 ZINC000769235726 577346179 /nfs/dbraw/zinc/34/61/79/577346179.db2.gz BSJUSDYNRUIEMT-UHFFFAOYSA-N 0 1 342.439 2.814 20 10 EFCDMN CC[N@H+]1C[C@H](C)N(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000769464807 577364053 /nfs/dbraw/zinc/36/40/53/577364053.db2.gz APMJOHCHGOCEGV-MNOVXSKESA-N 0 1 327.812 2.868 20 10 EFCDMN CC[N@H+]1C[C@H](C)N(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C ZINC000769464809 577364112 /nfs/dbraw/zinc/36/41/12/577364112.db2.gz APMJOHCHGOCEGV-QWRGUYRKSA-N 0 1 327.812 2.868 20 10 EFCDMN O=C(NCCCSc1nccs1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000769497992 577367324 /nfs/dbraw/zinc/36/73/24/577367324.db2.gz HKAAPBPEVQNSMT-UHFFFAOYSA-N 0 1 339.398 2.669 20 10 EFCDMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OC(F)F)cc1 ZINC000726876346 577391427 /nfs/dbraw/zinc/39/14/27/577391427.db2.gz OQZIVFKMZSCRQI-UVTDQMKNSA-N 0 1 330.290 2.749 20 10 EFCDMN COCCn1c(C)c(C)c2cc(C(=O)OCc3n[nH]c(C)n3)ccc21 ZINC000770632661 581119410 /nfs/dbraw/zinc/11/94/10/581119410.db2.gz DPWLAQGCTDXNPE-UHFFFAOYSA-N 0 1 342.399 2.688 20 10 EFCDMN Cn1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000771055772 581169530 /nfs/dbraw/zinc/16/95/30/581169530.db2.gz FAOVGJJCRWPAIB-INIZCTEOSA-N 0 1 347.846 2.779 20 10 EFCDMN Cc1cccc2c1N[C@H](c1ccc(N3CCN(C)CC3)cc1)NC2=O ZINC000771521470 581220300 /nfs/dbraw/zinc/22/03/00/581220300.db2.gz SNYDUWXBTDJLHZ-IBGZPJMESA-N 0 1 336.439 2.601 20 10 EFCDMN C[C@@H](NCC1(C)OCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000773139039 581400220 /nfs/dbraw/zinc/40/02/20/581400220.db2.gz MMPHUXBEVFZBBC-CYBMUJFWSA-N 0 1 340.851 2.590 20 10 EFCDMN COc1ccc(N2CCC(Nc3cc(C(=O)[O-])cc[nH+]3)CC2)cc1 ZINC000820840996 598219379 /nfs/dbraw/zinc/21/93/79/598219379.db2.gz 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CCOCCOCC[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000825657999 1289591316 /nfs/dbraw/zinc/59/13/16/1289591316.db2.gz LLKNPDKPWZRWOC-UHFFFAOYSA-N 0 1 332.238 2.640 20 10 EFCDMN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2O)[C@H]1C ZINC000825659390 1289598676 /nfs/dbraw/zinc/59/86/76/1289598676.db2.gz XCCRJGMQCFPISH-JOYOIKCWSA-N 0 1 328.206 2.538 20 10 EFCDMN COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])[C@H]1C ZINC000825659390 1289598683 /nfs/dbraw/zinc/59/86/83/1289598683.db2.gz XCCRJGMQCFPISH-JOYOIKCWSA-N 0 1 328.206 2.538 20 10 EFCDMN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])[C@H]1C ZINC000825659390 1289598687 /nfs/dbraw/zinc/59/86/87/1289598687.db2.gz XCCRJGMQCFPISH-JOYOIKCWSA-N 0 1 328.206 2.538 20 10 EFCDMN COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824542238 1289709401 /nfs/dbraw/zinc/70/94/01/1289709401.db2.gz RLZPUYDXLTYGMX-NSHDSACASA-N 0 1 328.206 2.540 20 10 EFCDMN COC(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824542238 1289709410 /nfs/dbraw/zinc/70/94/10/1289709410.db2.gz 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AOAFBMKELHDZQX-KRWDZBQOSA-N 0 1 348.809 2.830 20 10 EFCDMN CN1C(=O)CC[C@H]2C[N@H+](Cc3cc(F)cc(Cl)c3[O-])CC[C@H]21 ZINC001237802638 1313708969 /nfs/dbraw/zinc/70/89/69/1313708969.db2.gz NLISPDXRBQUAMO-IINYFYTJSA-N 0 1 326.799 2.627 20 10 EFCDMN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC001237807776 1313710491 /nfs/dbraw/zinc/71/04/91/1313710491.db2.gz LXSVJTLRBSPISD-GFCCVEGCSA-N 0 1 327.705 2.931 20 10 EFCDMN CN(Cc1cc(Cl)ccc1O)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245727422 1300752331 /nfs/dbraw/zinc/75/23/31/1300752331.db2.gz JAEJSAGNBCQAFD-DZGCQCFKSA-N 0 1 331.865 2.833 20 10 EFCDMN COc1ncnc2c1CC[N@@H+](Cc1cc(F)c(Cl)cc1[O-])CC2 ZINC001237936036 1313733543 /nfs/dbraw/zinc/73/35/43/1313733543.db2.gz FRSZUJPGQNPDQC-UHFFFAOYSA-N 0 1 337.782 2.584 20 10 EFCDMN CC[NH+](CC)C[C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])CCO1 ZINC001237944100 1313734477 /nfs/dbraw/zinc/73/44/77/1313734477.db2.gz SISJPLBYVFWAFD-CYBMUJFWSA-N 0 1 330.831 2.727 20 10 EFCDMN CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1OCCOC)c1cc(Cl)ccc1[O-] ZINC000776869731 1301209614 /nfs/dbraw/zinc/20/96/14/1301209614.db2.gz PRASPYVFAMOLBI-UXLLHSPISA-N 0 1 343.851 2.907 20 10 EFCDMN CCOC[C@H]1CN(Cc2cc(F)cc(C)c2O)Cc2cnn(C)c21 ZINC001238060918 1313753249 /nfs/dbraw/zinc/75/32/49/1313753249.db2.gz KHZXXMQEQFFXIK-OAHLLOKOSA-N 0 1 333.407 2.709 20 10 EFCDMN COCCN1CCN(Cc2cc(F)cc(C)c2O)Cc2cccnc21 ZINC001238059847 1313753269 /nfs/dbraw/zinc/75/32/69/1313753269.db2.gz FCXNLIMKCBCLJY-UHFFFAOYSA-N 0 1 345.418 2.703 20 10 EFCDMN Cc1noc([C@@H]2C[C@@H]3CCN(Cc4cc(F)cc(C)c4O)C[C@H]3O2)n1 ZINC001238060276 1313753684 /nfs/dbraw/zinc/75/36/84/1313753684.db2.gz HCIBMOKLGKBKLI-VBNZEHGJSA-N 0 1 347.390 2.883 20 10 EFCDMN Cc1cc(F)cc(CN2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c1O ZINC001238064432 1313754122 /nfs/dbraw/zinc/75/41/22/1313754122.db2.gz PCNPRXZSOXQWRW-UGSOOPFHSA-N 0 1 336.407 2.939 20 10 EFCDMN Cc1cc(F)cc(CN2CCC[C@@H](NC(=O)c3cccnc3)C2)c1O ZINC001238064365 1313754193 /nfs/dbraw/zinc/75/41/93/1313754193.db2.gz BWBNNSGXZZOVEE-QGZVFWFLSA-N 0 1 343.402 2.629 20 10 EFCDMN CCOc1cccc(N2CCN(Cc3cc(F)cc(C)c3O)CC2)n1 ZINC001238065774 1313754518 /nfs/dbraw/zinc/75/45/18/1313754518.db2.gz ASROJAXZMSTCMQ-UHFFFAOYSA-N 0 1 345.418 2.956 20 10 EFCDMN C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000825556173 1301621110 /nfs/dbraw/zinc/62/11/10/1301621110.db2.gz OGKOAJUQIUYEIK-JTQLQIEISA-N 0 1 343.265 2.890 20 10 EFCDMN C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000825556173 1301621121 /nfs/dbraw/zinc/62/11/21/1301621121.db2.gz OGKOAJUQIUYEIK-JTQLQIEISA-N 0 1 343.265 2.890 20 10 EFCDMN C[C@@H](C(=O)NC(C)(C)C)N(C)Cc1ccc(Br)cc1O ZINC000825556173 1301621099 /nfs/dbraw/zinc/62/10/99/1301621099.db2.gz OGKOAJUQIUYEIK-JTQLQIEISA-N 0 1 343.265 2.890 20 10 EFCDMN CC(=O)N1CCC[C@H](C[NH2+]Cc2c([O-])cccc2Br)C1 ZINC001334901310 1331328134 /nfs/dbraw/zinc/32/81/34/1331328134.db2.gz CELOGHPMYDHXSA-GFCCVEGCSA-N 0 1 341.249 2.503 20 10 EFCDMN CCCNC(=O)[C@H]1CCCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862236738 1302318516 /nfs/dbraw/zinc/31/85/16/1302318516.db2.gz CKGPDHCDRHUQFO-ZDUSSCGKSA-N 0 1 339.430 2.769 20 10 EFCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000862252468 1302321404 /nfs/dbraw/zinc/32/14/04/1302321404.db2.gz UPJYNECZVIULLY-OCCSQVGLSA-N 0 1 344.274 2.861 20 10 EFCDMN [O-]c1cccc(Br)c1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000862252468 1302321418 /nfs/dbraw/zinc/32/14/18/1302321418.db2.gz UPJYNECZVIULLY-OCCSQVGLSA-N 0 1 344.274 2.861 20 10 EFCDMN COC(=O)[C@H](C)CN(Cc1cc(F)c(N(C)C)cc1F)C1CC1 ZINC000862302581 1302332016 /nfs/dbraw/zinc/33/20/16/1302332016.db2.gz WMHOGZJFSDIABV-LLVKDONJSA-N 0 1 326.387 2.804 20 10 EFCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000862468294 1302392789 /nfs/dbraw/zinc/39/27/89/1302392789.db2.gz FXQRHSASUCVIBH-LBPRGKRZSA-N 0 1 349.219 2.974 20 10 EFCDMN [O-]c1ccc2ccncc2c1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000748264997 1313842519 /nfs/dbraw/zinc/84/25/19/1313842519.db2.gz JCRPGYNKEJKOBM-INIZCTEOSA-N 0 1 328.412 2.710 20 10 EFCDMN C[C@@H]1C[N@H+](Cc2cccc(Br)c2O)CC[C@H]1C(=O)[O-] ZINC000863740573 1302703472 /nfs/dbraw/zinc/70/34/72/1302703472.db2.gz XXRCPJWLAWHLDR-MWLCHTKSSA-N 0 1 328.206 2.697 20 10 EFCDMN C[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)CC[C@H]1C(=O)[O-] ZINC000863740573 1302703479 /nfs/dbraw/zinc/70/34/79/1302703479.db2.gz XXRCPJWLAWHLDR-MWLCHTKSSA-N 0 1 328.206 2.697 20 10 EFCDMN C[C@@H]1C[N@H+](Cc2cccc(Br)c2O)CC[C@@H]1C(=O)[O-] ZINC000863740572 1302703505 /nfs/dbraw/zinc/70/35/05/1302703505.db2.gz XXRCPJWLAWHLDR-KOLCDFICSA-N 0 1 328.206 2.697 20 10 EFCDMN C[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)CC[C@@H]1C(=O)[O-] ZINC000863740572 1302703513 /nfs/dbraw/zinc/70/35/13/1302703513.db2.gz XXRCPJWLAWHLDR-KOLCDFICSA-N 0 1 328.206 2.697 20 10 EFCDMN Cc1n[nH]c(CCNC(=O)c2sccc2-n2c(C)ccc2C)n1 ZINC000748309051 1313862964 /nfs/dbraw/zinc/86/29/64/1313862964.db2.gz GHEDMNAYVBQBOC-UHFFFAOYSA-N 0 1 329.429 2.555 20 10 EFCDMN C[C@@]1(C(N)=O)CC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000794713827 1303038447 /nfs/dbraw/zinc/03/84/47/1303038447.db2.gz OEIBBTBFIDWYDI-LJQANCHMSA-N 0 1 328.412 2.715 20 10 EFCDMN C[C@@]1(C(N)=O)CC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000794713827 1303038450 /nfs/dbraw/zinc/03/84/50/1303038450.db2.gz OEIBBTBFIDWYDI-LJQANCHMSA-N 0 1 328.412 2.715 20 10 EFCDMN C[C@@]1(C(N)=O)CC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000794713827 1303038454 /nfs/dbraw/zinc/03/84/54/1303038454.db2.gz OEIBBTBFIDWYDI-LJQANCHMSA-N 0 1 328.412 2.715 20 10 EFCDMN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)C[C@]2(CCCOC2)O1 ZINC000794886867 1303477503 /nfs/dbraw/zinc/47/75/03/1303477503.db2.gz BHKKBXDEFGHREV-LIRRHRJNSA-N 0 1 328.412 2.710 20 10 EFCDMN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)C[C@]2(CCCOC2)O1 ZINC000794886867 1303477505 /nfs/dbraw/zinc/47/75/05/1303477505.db2.gz BHKKBXDEFGHREV-LIRRHRJNSA-N 0 1 328.412 2.710 20 10 EFCDMN C[C@@H](C(=O)NC(=O)Nc1ccccc1)N(C)Cc1ccccc1O ZINC000121139502 1303707446 /nfs/dbraw/zinc/70/74/46/1303707446.db2.gz NQMCYIOPGSIQPN-ZDUSSCGKSA-N 0 1 327.384 2.561 20 10 EFCDMN CN(C)c1ccc(CN2CCN(Cc3cn4ccccc4n3)CC2)cc1 ZINC000121881692 1303996916 /nfs/dbraw/zinc/99/69/16/1303996916.db2.gz FIXWLIQUWXBLJY-UHFFFAOYSA-N 0 1 349.482 2.718 20 10 EFCDMN CC1CC(CN2CC(N(C)C(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC001044354793 1306450436 /nfs/dbraw/zinc/45/04/36/1306450436.db2.gz ISYRAKPCYLFTAX-UHFFFAOYSA-N 0 1 343.431 2.651 20 10 EFCDMN Cc1cc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c(O)cc1Br ZINC001250133404 1315177512 /nfs/dbraw/zinc/17/75/12/1315177512.db2.gz LVSQYRYEQPYOIA-AAEUAGOBSA-N 0 1 326.234 2.931 20 10 EFCDMN Cc1ccc(C)n1-c1ccc(CN2CCN(C3COC3)CC2)cc1 ZINC001209517939 1314178385 /nfs/dbraw/zinc/17/83/85/1314178385.db2.gz IWNUZWBHIHSCLC-UHFFFAOYSA-N 0 1 325.456 2.611 20 10 EFCDMN C[C@H]1CN(CCN(Cc2ccco2)Cc2ccccc2O)CCO1 ZINC000800355197 1307747780 /nfs/dbraw/zinc/74/77/80/1307747780.db2.gz CAVBDOUXBITMQQ-INIZCTEOSA-N 0 1 330.428 2.708 20 10 EFCDMN Cc1cc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)nn1C ZINC000800475280 1307921672 /nfs/dbraw/zinc/92/16/72/1307921672.db2.gz USENRKDJKBTCJO-JKSUJKDBSA-N 0 1 328.460 2.977 20 10 EFCDMN CC[C@H]([NH2+]CC1(OCCO)CCOCC1)c1cc(Cl)ccc1[O-] ZINC000800502002 1307989802 /nfs/dbraw/zinc/98/98/02/1307989802.db2.gz JNPDVZRYJYZPJQ-HNNXBMFYSA-N 0 1 343.851 2.644 20 10 EFCDMN C[C@H]([NH2+]CC1(OCCO)CCOCC1)c1ccc2ccccc2c1[O-] ZINC000800502873 1307993070 /nfs/dbraw/zinc/99/30/70/1307993070.db2.gz YTYADXVYKGQMAS-HNNXBMFYSA-N 0 1 345.439 2.754 20 10 EFCDMN CC[C@H](F)CN1CC[C@@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046868961 1309574451 /nfs/dbraw/zinc/57/44/51/1309574451.db2.gz JITCXHLTRQGJHP-SUMWQHHRSA-N 0 1 349.410 2.791 20 10 EFCDMN CCCCN(Cc1ccccc1O)C(=O)CN(C)[C@H]1CCSC1 ZINC000801546008 1310498722 /nfs/dbraw/zinc/49/87/22/1310498722.db2.gz HHCYNMVHPOSVPV-INIZCTEOSA-N 0 1 336.501 2.958 20 10 EFCDMN [O-]c1ccc(F)c(F)c1CN1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222609270 1311160244 /nfs/dbraw/zinc/16/02/44/1311160244.db2.gz MKJABOINBADPBV-OAHLLOKOSA-N 0 1 330.378 2.859 20 10 EFCDMN [O-]c1ccc(F)c(F)c1CN1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222609264 1311160340 /nfs/dbraw/zinc/16/03/40/1311160340.db2.gz MKJABOINBADPBV-HNNXBMFYSA-N 0 1 330.378 2.859 20 10 EFCDMN [O-]c1c(Cl)cc(Cl)cc1CN1CCNC[C@]2(CCCC[NH2+]2)C1 ZINC001222669974 1311170511 /nfs/dbraw/zinc/17/05/11/1311170511.db2.gz ZECYRYRATPVLQU-MRXNPFEDSA-N 0 1 344.286 2.617 20 10 EFCDMN COc1ccc(N2CC3(C2)CCN(Cc2cccc(=O)[nH]2)C3)cc1 ZINC001276926484 1311312139 /nfs/dbraw/zinc/31/21/39/1311312139.db2.gz DQUCUVDSMHNONY-UHFFFAOYSA-N 0 1 325.412 2.508 20 10 EFCDMN Cc1cc(CN2CC[C@H]3C[C@]32C(=O)NC(C)(C)C)ccc1N(C)C ZINC001276929079 1311316481 /nfs/dbraw/zinc/31/64/81/1311316481.db2.gz JYMFFBKQTKNNCX-OXJNMPFZSA-N 0 1 329.488 2.940 20 10 EFCDMN Cc1cc(CN2CC3(C[C@@H]3C(=O)NC(C)(C)C)C2)ccc1N(C)C ZINC001276929459 1311317652 /nfs/dbraw/zinc/31/76/52/1311317652.db2.gz XXLOEMWTCZAVFC-MRXNPFEDSA-N 0 1 329.488 2.798 20 10 EFCDMN CN(C)c1ccc(CN2CC3(C[C@@H]3C(=O)N3CCCC34CC4)C2)cc1 ZINC001276957983 1311363186 /nfs/dbraw/zinc/36/31/86/1311363186.db2.gz AXAHSPANGJBNDZ-GOSISDBHSA-N 0 1 339.483 2.730 20 10 EFCDMN O=S(=O)(CCC[NH2+]Cc1c([O-])cccc1Cl)c1ccccc1 ZINC000113329354 1311725471 /nfs/dbraw/zinc/72/54/71/1311725471.db2.gz HPHNKXKHHBWAII-UHFFFAOYSA-N 0 1 339.844 2.999 20 10 EFCDMN O=C(N1CC=CC1)[C@]12C[C@H]1CCN2Cc1ccc(N2CCCC2)cc1 ZINC001277211240 1311809320 /nfs/dbraw/zinc/80/93/20/1311809320.db2.gz HQFORVRZFYFOEF-NQIIRXRSSA-N 0 1 337.467 2.650 20 10 EFCDMN O=C([C@@H]1CC12CN(Cc1ccc(N3CCCC3)cc1)C2)N1CC=CC1 ZINC001277211468 1311809467 /nfs/dbraw/zinc/80/94/67/1311809467.db2.gz LDIYMKMHFONLMC-IBGZPJMESA-N 0 1 337.467 2.507 20 10 EFCDMN CCOC(=O)c1sc(C(=O)OCC)c(O[C@@H](CC)COC)c1O ZINC001227494201 1311812364 /nfs/dbraw/zinc/81/23/64/1311812364.db2.gz SGKNGBJZCBRARI-VIFPVBQESA-N 0 1 346.401 2.611 20 10 EFCDMN COC(=O)c1sc(C(=O)OC)c(O[C@@H]2CCCC[C@@H]2F)c1O ZINC001227623184 1311832743 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349.286 2.797 20 10 EFCDMN COc1cc(NS(=O)(=O)c2cc(C)c(C)cc2OC)ccc1O ZINC001260770804 1316366722 /nfs/dbraw/zinc/36/67/22/1316366722.db2.gz GWVZBEFIDGUZTJ-UHFFFAOYSA-N 0 1 337.397 2.827 20 10 EFCDMN O=C([O-])[C@@H](CC1CC1)[NH2+]Cc1cc(Br)cc(F)c1O ZINC001262163239 1316450570 /nfs/dbraw/zinc/45/05/70/1316450570.db2.gz LYCSWEGCPZAMJP-LLVKDONJSA-N 0 1 332.169 2.637 20 10 EFCDMN CN1CCN(c2ccc(C[NH2+]C3(CC(=O)[O-])CCCCC3)cc2)CC1 ZINC000901498218 1324742457 /nfs/dbraw/zinc/74/24/57/1324742457.db2.gz KXSLOPVNYLNPOC-UHFFFAOYSA-N 0 1 345.487 2.706 20 10 EFCDMN O=C([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000901645582 1324752272 /nfs/dbraw/zinc/75/22/72/1324752272.db2.gz BRALTWUOMSLCFG-UHFFFAOYSA-N 0 1 338.407 2.737 20 10 EFCDMN O=C([O-])c1ccc2c(c1)C[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000901645582 1324752278 /nfs/dbraw/zinc/75/22/78/1324752278.db2.gz BRALTWUOMSLCFG-UHFFFAOYSA-N 0 1 338.407 2.737 20 10 EFCDMN COC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000901864500 1324759750 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Oc1ccc2c(c1)C1(CC1)CN(Cc1cc3c(cc1O)OCO3)C2 ZINC001327631542 1330502221 /nfs/dbraw/zinc/50/22/21/1330502221.db2.gz FDINIOXNIKWAOO-UHFFFAOYSA-N 0 1 325.364 2.874 20 10 EFCDMN COC(=O)CC(C)(C)[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC001328746376 1330625420 /nfs/dbraw/zinc/62/54/20/1330625420.db2.gz NWKWUMMVQYMUDW-UHFFFAOYSA-N 0 1 330.222 2.928 20 10 EFCDMN COC(=O)CC(C)(C)[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC001328746376 1330625423 /nfs/dbraw/zinc/62/54/23/1330625423.db2.gz NWKWUMMVQYMUDW-UHFFFAOYSA-N 0 1 330.222 2.928 20 10 EFCDMN COc1cc(C)cc(CN2CCN(c3ncc(C)s3)CC2)c1O ZINC001331527640 1330848693 /nfs/dbraw/zinc/84/86/93/1330848693.db2.gz CENNIUVYUQUCFC-UHFFFAOYSA-N 0 1 333.457 2.796 20 10 EFCDMN COc1ccc(CN[C@H](C)c2cnn(C)c2C)cc1Cn1cccn1 ZINC001333321043 1331116329 /nfs/dbraw/zinc/11/63/29/1331116329.db2.gz GAPYOBWOUINHFB-CQSZACIVSA-N 0 1 339.443 2.833 20 10 EFCDMN COCn1ncc(C)c1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001333632451 1331184507 /nfs/dbraw/zinc/18/45/07/1331184507.db2.gz GGVPGKYPURKMMI-KRWDZBQOSA-N 0 1 345.443 2.682 20 10 EFCDMN COC(=O)[C@H](NCc1cc(F)cc(F)c1O)[C@H]1CCC[C@@H](OC)C1 ZINC001333718705 1331200857 /nfs/dbraw/zinc/20/08/57/1331200857.db2.gz KEJCMWVMSSAMTD-PSOPSSQASA-N 0 1 343.370 2.507 20 10 EFCDMN Cc1ccc([C@@H](CNC(=O)NCc2ccc(N)cc2)N2CCCC2)o1 ZINC001335397264 1331342667 /nfs/dbraw/zinc/34/26/67/1331342667.db2.gz OFAOPDPEDYANQB-QGZVFWFLSA-N 0 1 342.443 2.807 20 10 EFCDMN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(N)cc1 ZINC001335525035 1331367164 /nfs/dbraw/zinc/36/71/64/1331367164.db2.gz IFFZMXSCEWETLA-OAHLLOKOSA-N 0 1 326.444 2.589 20 10 EFCDMN CC[C@H](F)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001335855971 1331410843 /nfs/dbraw/zinc/41/08/43/1331410843.db2.gz QBEBJVKTMPMVTE-KBPBESRZSA-N 0 1 328.815 2.874 20 10 EFCDMN Nc1ccc(CN2CCCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC001336284783 1331455001 /nfs/dbraw/zinc/45/50/01/1331455001.db2.gz CWSODHGZJWZMCN-UHFFFAOYSA-N 0 1 327.403 2.756 20 10 EFCDMN C[C@@H]1[C@@H](NC(=O)NCc2ccc(N)cc2)CC[N@H+]1Cc1ccccc1 ZINC001338608288 1331719412 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CCOC(=O)CC(C)(C)CC(=O)C(=O)C1CCN(C(C)C)CC1 ZINC000935946036 1335464731 /nfs/dbraw/zinc/46/47/31/1335464731.db2.gz URYBFXUTAHUSOG-UHFFFAOYSA-N 0 1 325.449 2.615 20 10 EFCDMN CN1CCN(c2ccc(CNc3nc(C4CC4)ns3)cc2)CC1 ZINC000849346887 1335596008 /nfs/dbraw/zinc/59/60/08/1335596008.db2.gz GWAQRBZVJRHTRD-UHFFFAOYSA-N 0 1 329.473 2.779 20 10 EFCDMN c1cc(C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc2c1OCC2 ZINC000826518804 1425327833 /nfs/dbraw/zinc/32/78/33/1425327833.db2.gz YJCQGBACZHPEOO-GOSISDBHSA-N 0 1 347.422 2.969 20 10 EFCDMN C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736135093 1446480943 /nfs/dbraw/zinc/48/09/43/1446480943.db2.gz MXTHBNQTQMWJRU-GFCCVEGCSA-N 0 1 340.406 2.923 20 10 EFCDMN CCN1CCN(c2ccc(CN[C@H](C)c3ncc[nH]3)cc2F)CC1 ZINC000286323589 713019826 /nfs/dbraw/zinc/01/98/26/713019826.db2.gz XRUYFBSDSLFVDP-CQSZACIVSA-N 0 1 331.439 2.542 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3C3CC3)cc2F)CC1 ZINC000177202527 717940651 /nfs/dbraw/zinc/94/06/51/717940651.db2.gz MJIHIVTXNRSUBN-DLBZAZTESA-N 0 1 345.462 2.630 20 10 EFCDMN CN(C)c1ccc([C@H](CNC(=O)C2=CC(=O)CS2)N(C)C)cc1 ZINC000891249861 714139206 /nfs/dbraw/zinc/13/92/06/714139206.db2.gz UEJHDYAJANHTCX-HNNXBMFYSA-N 0 1 333.457 2.552 20 10 EFCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1NCCc2ccccc21 ZINC000326417688 714898224 /nfs/dbraw/zinc/89/82/24/714898224.db2.gz ROZNRNRJCKUIFQ-HXUWFJFHSA-N 0 1 337.467 2.988 20 10 EFCDMN COc1ccc(CN2CCc3ccccc3[C@H]2CO)c(O)c1OC ZINC000892056155 715237386 /nfs/dbraw/zinc/23/73/86/715237386.db2.gz QNCPLMQIMDZGRZ-MRXNPFEDSA-N 0 1 329.396 2.501 20 10 EFCDMN COc1ccc(CN2CCc3ccccc3[C@@H]2CO)c(O)c1OC ZINC000892056154 715237474 /nfs/dbraw/zinc/23/74/74/715237474.db2.gz QNCPLMQIMDZGRZ-INIZCTEOSA-N 0 1 329.396 2.501 20 10 EFCDMN COc1ccc(CN2CCC([C@H](O)C(F)(F)F)CC2)c(O)c1OC ZINC000892141777 715272462 /nfs/dbraw/zinc/27/24/62/715272462.db2.gz VYJBXXSPSSADGC-HNNXBMFYSA-N 0 1 349.349 2.545 20 10 EFCDMN CC(C)(C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1)C(N)=O ZINC000894878012 722934212 /nfs/dbraw/zinc/93/42/12/722934212.db2.gz OVTUYQSFWCJXRO-NSHDSACASA-N 0 1 326.387 2.784 20 10 EFCDMN C[C@@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840869943 716412194 /nfs/dbraw/zinc/41/21/94/716412194.db2.gz QPDFQMCPGPIOTI-MRVPVSSYSA-N 0 1 342.277 2.960 20 10 EFCDMN CN1CCN(c2ccc(CNC(=O)/C=C\c3cccs3)cc2)CC1 ZINC000893608180 717375250 /nfs/dbraw/zinc/37/52/50/717375250.db2.gz RJKLHLBCNQWBBH-HJWRWDBZSA-N 0 1 341.480 2.830 20 10 EFCDMN Cc1cc(N(C)C)ccc1CNCCS(=O)(=O)Cc1ccccc1 ZINC000840932031 717467395 /nfs/dbraw/zinc/46/73/95/717467395.db2.gz BTSGWRQJRZAIFC-UHFFFAOYSA-N 0 1 346.496 2.766 20 10 EFCDMN CCN(CC(=O)NCc1ccc(F)cc1)Cc1cc(C)ccc1O ZINC000179573994 717793403 /nfs/dbraw/zinc/79/34/03/717793403.db2.gz NEDDARZPICQWDA-UHFFFAOYSA-N 0 1 330.403 2.978 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c1[O-] ZINC000177104596 717795988 /nfs/dbraw/zinc/79/59/88/717795988.db2.gz BEHQKLXOKFDMDN-LBPRGKRZSA-N 0 1 338.835 2.726 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)c1[O-] ZINC000177104596 717795992 /nfs/dbraw/zinc/79/59/92/717795992.db2.gz BEHQKLXOKFDMDN-LBPRGKRZSA-N 0 1 338.835 2.726 20 10 EFCDMN COc1ccc(N2CCCN(CN3C(=O)C(C)(C)C3(C)C)CC2)cc1 ZINC000177682385 718159909 /nfs/dbraw/zinc/15/99/09/718159909.db2.gz YWUUBZZUUIIZGI-UHFFFAOYSA-N 0 1 345.487 2.812 20 10 EFCDMN Cc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)c(O)c1O ZINC000177673993 718162039 /nfs/dbraw/zinc/16/20/39/718162039.db2.gz BUPXROGIWBWBSA-HNNXBMFYSA-N 0 1 332.375 2.578 20 10 EFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCn1cc(Br)cn1 ZINC000310906347 718348095 /nfs/dbraw/zinc/34/80/95/718348095.db2.gz NWAXSVQINIXLEQ-UHFFFAOYSA-N 0 1 330.613 2.794 20 10 EFCDMN CC[C@H]([NH2+]C[C@](C)(O)COC)c1cc(Br)ccc1[O-] ZINC000382565539 718961536 /nfs/dbraw/zinc/96/15/36/718961536.db2.gz NXBUINDRRPKTLE-JSGCOSHPSA-N 0 1 332.238 2.593 20 10 EFCDMN COC(=O)CC[N@@H+](Cc1c([O-])cccc1Cl)C[C@H]1CCCO1 ZINC000127299988 724570909 /nfs/dbraw/zinc/57/09/09/724570909.db2.gz WYMRYHIGODAHQI-GFCCVEGCSA-N 0 1 327.808 2.590 20 10 EFCDMN COC(=O)CC[N@H+](Cc1c([O-])cccc1Cl)C[C@H]1CCCO1 ZINC000127299988 724570914 /nfs/dbraw/zinc/57/09/14/724570914.db2.gz WYMRYHIGODAHQI-GFCCVEGCSA-N 0 1 327.808 2.590 20 10 EFCDMN COc1ccc(CNCc2nc3cc(F)ccc3n2C)c(O)c1OC ZINC000893045346 719527349 /nfs/dbraw/zinc/52/73/49/719527349.db2.gz QFCGTFICUVRJBX-UHFFFAOYSA-N 0 1 345.374 2.725 20 10 EFCDMN COc1ccc(CNCc2nc3cc(C)ccc3[nH]2)c(O)c1OC ZINC000893089691 719603968 /nfs/dbraw/zinc/60/39/68/719603968.db2.gz IHTCVRPFAUZBMD-UHFFFAOYSA-N 0 1 327.384 2.884 20 10 EFCDMN COc1ccc(CNCc2nc3ccc(C)cc3[nH]2)c(O)c1OC ZINC000893089691 719603972 /nfs/dbraw/zinc/60/39/72/719603972.db2.gz IHTCVRPFAUZBMD-UHFFFAOYSA-N 0 1 327.384 2.884 20 10 EFCDMN O=S1(=O)CCN(Cc2cc(Cl)cc(F)c2O)CCC12CCC2 ZINC000840969300 719772321 /nfs/dbraw/zinc/77/23/21/719772321.db2.gz DPSLIRJORSGQJC-UHFFFAOYSA-N 0 1 347.839 2.728 20 10 EFCDMN COc1cc(C)cc(CN2CCN([C@@H](C)c3cccnc3)CC2)c1O ZINC000894026330 720237860 /nfs/dbraw/zinc/23/78/60/720237860.db2.gz MCMGBNAVXAVEIA-INIZCTEOSA-N 0 1 341.455 2.983 20 10 EFCDMN CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894070552 720266140 /nfs/dbraw/zinc/26/61/40/720266140.db2.gz CPUCHKUSUFOMON-OAHLLOKOSA-N 0 1 328.403 2.603 20 10 EFCDMN C[N@H+](Cc1cc(Br)cc(F)c1[O-])C[C@@H]1CCC[C@@H]1O ZINC000894088243 720274220 /nfs/dbraw/zinc/27/42/20/720274220.db2.gz JKDXPDAIZZOSJS-ZANVPECISA-N 0 1 332.213 2.887 20 10 EFCDMN N[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 ZINC000178715233 720629788 /nfs/dbraw/zinc/62/97/88/720629788.db2.gz SYUODKBRZKZWBU-GOSISDBHSA-N 0 1 341.480 2.556 20 10 EFCDMN CCOC(=O)[C@@H](Cc1ccccc1)NCc1cc(F)cc(F)c1O ZINC000894137117 720842717 /nfs/dbraw/zinc/84/27/17/720842717.db2.gz LQBRVABWKWWJDC-MRXNPFEDSA-N 0 1 335.350 2.934 20 10 EFCDMN O=C(NCCCSc1nccs1)c1n[nH]nc1-c1ccccc1 ZINC000194188156 720998191 /nfs/dbraw/zinc/99/81/91/720998191.db2.gz XXKYEPTYXPVNHG-UHFFFAOYSA-N 0 1 345.453 2.840 20 10 EFCDMN CC(C)c1nc([C@H]2COCCN2Cc2cc(F)cc(F)c2O)no1 ZINC000894427373 722733784 /nfs/dbraw/zinc/73/37/84/722733784.db2.gz NAQAKVSJGODBIY-CYBMUJFWSA-N 0 1 339.342 2.750 20 10 EFCDMN OCCN(Cc1cc(F)cc(F)c1O)Cc1cccnc1Cl ZINC000894638933 722805419 /nfs/dbraw/zinc/80/54/19/722805419.db2.gz YSFASFQUPXGRMF-UHFFFAOYSA-N 0 1 328.746 2.713 20 10 EFCDMN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000894866344 722918785 /nfs/dbraw/zinc/91/87/85/722918785.db2.gz RBMDVFMKNYYOSS-SNVBAGLBSA-N 0 1 332.213 2.888 20 10 EFCDMN NC(=O)c1cccc(C[N@@H+](Cc2cc(F)cc(F)c2[O-])C2CC2)c1 ZINC000894877364 722932909 /nfs/dbraw/zinc/93/29/09/722932909.db2.gz VNQLHMYTCWEUDW-UHFFFAOYSA-N 0 1 332.350 2.934 20 10 EFCDMN NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000895000679 723048791 /nfs/dbraw/zinc/04/87/91/723048791.db2.gz KOMANODBRNEVMW-GOSISDBHSA-N 0 1 330.815 2.675 20 10 EFCDMN NC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000895000679 723048792 /nfs/dbraw/zinc/04/87/92/723048792.db2.gz 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EFCDMN Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000840998649 725532161 /nfs/dbraw/zinc/53/21/61/725532161.db2.gz MUIWJPLRHKNAJB-CQSZACIVSA-N 0 1 328.206 2.760 20 10 EFCDMN NC(=O)C1CC[NH+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1 ZINC000054421916 725602366 /nfs/dbraw/zinc/60/23/66/725602366.db2.gz XDBIFOOGTYPVRU-UHFFFAOYSA-N 0 1 328.412 2.715 20 10 EFCDMN NC(=O)N=Nc1ccc(C(=O)N[C@@]23CCC[C@@H]2N(CCF)CC3)cc1 ZINC000992547855 725956403 /nfs/dbraw/zinc/95/64/03/725956403.db2.gz LYEYWTXNIVUYQL-WMLDXEAASA-N 0 1 347.394 2.545 20 10 EFCDMN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000152870968 726280920 /nfs/dbraw/zinc/28/09/20/726280920.db2.gz RDGOBDCITVDOIZ-UHFFFAOYSA-N 0 1 335.411 2.776 20 10 EFCDMN COc1ccc(N2CCN(CCCNC(=O)OC(C)(C)C)CC2)cc1 ZINC000731148432 726810886 /nfs/dbraw/zinc/81/08/86/726810886.db2.gz JSZZWOWZACGQEI-UHFFFAOYSA-N 0 1 349.475 2.732 20 10 EFCDMN CCN1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000915223792 726904640 /nfs/dbraw/zinc/90/46/40/726904640.db2.gz 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956944964 /nfs/dbraw/zinc/94/49/64/956944964.db2.gz VNOHJXLFXWMDEO-UHFFFAOYSA-N 0 1 342.395 2.802 20 10 EFCDMN O=C([O-])C1CCN(c2ccc(C[N@H+]3Cc4cccc(O)c4C3)o2)CC1 ZINC000904255354 956944971 /nfs/dbraw/zinc/94/49/71/956944971.db2.gz VNOHJXLFXWMDEO-UHFFFAOYSA-N 0 1 342.395 2.802 20 10 EFCDMN Cc1cc(Br)cc(C[N@H+]2CCC[C@]2(C)C(=O)[O-])c1O ZINC001594272054 957684624 /nfs/dbraw/zinc/68/46/24/957684624.db2.gz OREQHEYCZOZXEA-CQSZACIVSA-N 0 1 328.206 2.902 20 10 EFCDMN C[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)[C@@H]1C(=O)[O-] ZINC001573725095 959892456 /nfs/dbraw/zinc/89/24/56/959892456.db2.gz BFCSBEYKBXRGHP-ZANVPECISA-N 0 1 328.206 2.840 20 10 EFCDMN C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000235769128 960492370 /nfs/dbraw/zinc/49/23/70/960492370.db2.gz YLOBXCGLIAFGNC-AWEZNQCLSA-N 0 1 328.206 2.841 20 10 EFCDMN COC1CCN(c2ccc(C[N@H+]3CCC[C@@H](CC(=O)[O-])C3)cc2)CC1 ZINC001574118460 962473548 /nfs/dbraw/zinc/47/35/48/962473548.db2.gz KPASTGWEABUIRS-KRWDZBQOSA-N 0 1 346.471 2.989 20 10 EFCDMN COC1CCN(c2ccc(C[N@H+]3CC[C@@H](C)[C@@H](C(=O)[O-])C3)cc2)CC1 ZINC001574120616 962497952 /nfs/dbraw/zinc/49/79/52/962497952.db2.gz XJBLEHZVRQBZRR-BEFAXECRSA-N 0 1 346.471 2.844 20 10 EFCDMN Cc1cc(Br)c(O)c(C[N@@H+]([C@H](C)C(=O)[O-])C2CC2)c1 ZINC001605104235 972766197 /nfs/dbraw/zinc/76/61/97/972766197.db2.gz SUDRYERFMCPKAE-SECBINFHSA-N 0 1 328.206 2.901 20 10 EFCDMN Cc1cc(Br)c(O)c(C[N@H+]([C@H](C)C(=O)[O-])C2CC2)c1 ZINC001605104235 972766208 /nfs/dbraw/zinc/76/62/08/972766208.db2.gz SUDRYERFMCPKAE-SECBINFHSA-N 0 1 328.206 2.901 20 10 EFCDMN COC1CCN(c2ccc(C[N@H+]3C[C@H](C)C[C@H](C(=O)[O-])C3)cc2)CC1 ZINC001604500608 973417325 /nfs/dbraw/zinc/41/73/25/973417325.db2.gz CAPBECFVMFAFPQ-WBVHZDCISA-N 0 1 346.471 2.844 20 10 EFCDMN O=C([O-])[C@@H]1CCCCC[N@@H+]1Cc1c(O)cccc1Br ZINC000706636757 977356933 /nfs/dbraw/zinc/35/69/33/977356933.db2.gz BMXRBWUSGGVBNA-LBPRGKRZSA-N 0 1 328.206 2.984 20 10 EFCDMN Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000901789710 980520829 /nfs/dbraw/zinc/52/08/29/980520829.db2.gz NIBMPQMLPHKEDD-HNNXBMFYSA-N 0 1 330.350 2.900 20 10 EFCDMN CO[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H](C(=O)[O-])C1 ZINC000902031224 980702227 /nfs/dbraw/zinc/70/22/27/980702227.db2.gz CWIWRUPHRJIPTB-ZWKOTPCHSA-N 0 1 332.444 2.741 20 10 EFCDMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000903911642 981034102 /nfs/dbraw/zinc/03/41/02/981034102.db2.gz LDUWOUKTWMVMFB-QRVBRYPASA-N 0 1 344.455 2.598 20 10 EFCDMN COC1CCN(c2ccc(C[N@H+]3CCC[C@@H]4C[C@@]43C(=O)[O-])cc2)CC1 ZINC000903935573 981054701 /nfs/dbraw/zinc/05/47/01/981054701.db2.gz KZNOICSBAQOWRE-UZLBHIALSA-N 0 1 344.455 2.741 20 10 EFCDMN COC1CCN(c2ccc(C[N@H+]3CC[C@H](C(=O)[O-])C[C@@H]3C)cc2)CC1 ZINC000903939463 981058361 /nfs/dbraw/zinc/05/83/61/981058361.db2.gz QSSMYCBIFRIJEB-RDJZCZTQSA-N 0 1 346.471 2.987 20 10 EFCDMN CN(C)c1ccc(C[N@H+]2CC[C@H](C(=O)[O-])C[C@@H]2[C@H]2CCCO2)cc1 ZINC000903940451 981059274 /nfs/dbraw/zinc/05/92/74/981059274.db2.gz FMOHBOVXXDEDJF-CGTJXYLNSA-N 0 1 332.444 2.597 20 10 EFCDMN CCC[N@@H+](CC(=O)[O-])Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC001595856280 982787607 /nfs/dbraw/zinc/78/76/07/982787607.db2.gz ZJNMFRSZBSTLIO-UHFFFAOYSA-N 0 1 331.368 2.629 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(=O)[O-])c1O ZINC001589267701 985947943 /nfs/dbraw/zinc/94/79/43/985947943.db2.gz HVCDUWMLXIOTLL-LKFCYVNXSA-N 0 1 325.792 2.933 20 10 EFCDMN C[C@@H]1C[N@H+](Cc2cccc(Br)c2O)C[C@H]1CC(=O)[O-] ZINC001599866633 989274997 /nfs/dbraw/zinc/27/49/97/989274997.db2.gz SWWRASCLLSVHDA-MWLCHTKSSA-N 0 1 328.206 2.697 20 10 EFCDMN C[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)C[C@H]1CC(=O)[O-] ZINC001599866633 989275004 /nfs/dbraw/zinc/27/50/04/989275004.db2.gz SWWRASCLLSVHDA-MWLCHTKSSA-N 0 1 328.206 2.697 20 10 EFCDMN COc1cc(C[N@H+](CC(=O)[O-])Cc2cc(F)ccc2O)cc(OC)c1 ZINC001599406188 997307483 /nfs/dbraw/zinc/30/74/83/997307483.db2.gz XKYOBCJTYBFBGC-UHFFFAOYSA-N 0 1 349.358 2.635 20 10 EFCDMN COc1cc(C[N@@H+](CC(=O)[O-])Cc2cc(F)ccc2O)cc(OC)c1 ZINC001599406188 997307500 /nfs/dbraw/zinc/30/75/00/997307500.db2.gz XKYOBCJTYBFBGC-UHFFFAOYSA-N 0 1 349.358 2.635 20 10 EFCDMN COc1cc(Br)cc(C[N@@H+](C)C(C)(C)CC(=O)[O-])c1O ZINC001599346790 998020822 /nfs/dbraw/zinc/02/08/22/998020822.db2.gz WESVUFGTEZYRPW-UHFFFAOYSA-N 0 1 346.221 2.848 20 10 EFCDMN O=C(NCc1c(O)ccc2ccccc21)c1ccc(-c2cn[nH]n2)cn1 ZINC001578012899 1090231017 /nfs/dbraw/zinc/23/10/17/1090231017.db2.gz BSBDSVSAGAINEX-UHFFFAOYSA-N 0 1 345.362 2.656 20 10 EFCDMN COc1cccc(C[C@H](N)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC001579273463 1090573949 /nfs/dbraw/zinc/57/39/49/1090573949.db2.gz UPIHSCUAAWOGIE-KUHUBIRLSA-N 0 1 341.455 2.508 20 10 EFCDMN [NH3+][C@@H](CCNC(=O)NCc1cccc(Cl)c1[O-])Cc1ccccc1 ZINC001580126503 1090782276 /nfs/dbraw/zinc/78/22/76/1090782276.db2.gz CXDPUGOYHWJFEC-HNNXBMFYSA-N 0 1 347.846 2.805 20 10 EFCDMN CCN(C)c1ccc([C@H](C)NCc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC001590679067 1093544844 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Cc1cc(O)c(C[N@@H+](CCC(=O)[O-])C[C@H]2CCCO2)c(Cl)c1 ZINC001600286793 1094946164 /nfs/dbraw/zinc/94/61/64/1094946164.db2.gz WBCVGEDLCQWOTJ-GFCCVEGCSA-N 0 1 327.808 2.810 20 10 EFCDMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC001601706878 1095851171 /nfs/dbraw/zinc/85/11/71/1095851171.db2.gz FWSYVJMYULBPEQ-GFCCVEGCSA-N 0 1 325.233 2.509 20 10 EFCDMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC001601706878 1095851195 /nfs/dbraw/zinc/85/11/95/1095851195.db2.gz FWSYVJMYULBPEQ-GFCCVEGCSA-N 0 1 325.233 2.509 20 10 EFCDMN O=C([O-])CC[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H]1CCCO1 ZINC001602007241 1096019015 /nfs/dbraw/zinc/01/90/15/1096019015.db2.gz USWNAWIOZKYGBL-SFHVURJKSA-N 0 1 332.444 2.743 20 10 EFCDMN O=C([O-])C[N@H+](CCCOC(F)(F)F)Cc1cc(Cl)ccc1O ZINC001602055959 1096043354 /nfs/dbraw/zinc/04/33/54/1096043354.db2.gz YKUNDUCTMCJPCC-UHFFFAOYSA-N 0 1 341.713 2.859 20 10 EFCDMN O=C([O-])C[N@H+](CCC1CCOCC1)Cc1cc(Cl)ccc1O ZINC001602055848 1096044123 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/nfs/dbraw/zinc/61/00/45/1101610045.db2.gz WTPNCOVTXUSZKP-UHFFFAOYSA-N 0 1 342.136 2.566 20 10 EFCDMN CN1CCN(c2ccc(CNc3ccc(NC(N)=O)cc3)cc2)CC1 ZINC001167431212 1101612639 /nfs/dbraw/zinc/61/26/39/1101612639.db2.gz MPHRHAUIACXSPR-UHFFFAOYSA-N 0 1 339.443 2.541 20 10 EFCDMN CN1CCN(c2ccc(CNc3ccc4ccncc4n3)cc2)CC1 ZINC001167434894 1101665188 /nfs/dbraw/zinc/66/51/88/1101665188.db2.gz YKRKTXRAOCZJAA-UHFFFAOYSA-N 0 1 333.439 2.994 20 10 EFCDMN CC[C@H]([NH2+]C[C@@H]1CCCNC1=O)c1cc(Br)ccc1[O-] ZINC000840825812 1101755004 /nfs/dbraw/zinc/75/50/04/1101755004.db2.gz MUUROIBIVNHHEA-GWCFXTLKSA-N 0 1 341.249 2.722 20 10 EFCDMN Cc1cc(O)ccc1NS(=O)(=O)c1cncc(Br)c1 ZINC000080357898 1104593476 /nfs/dbraw/zinc/59/34/76/1104593476.db2.gz NBUWGRJAJBYWRG-UHFFFAOYSA-N 0 1 343.202 2.659 20 10 EFCDMN C[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2[O-])CC[C@]1(O)C(F)(F)F ZINC001142508974 1106038007 /nfs/dbraw/zinc/03/80/07/1106038007.db2.gz RKORSPDHWYYOPJ-AMIZOPFISA-N 0 1 325.277 2.806 20 10 EFCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001142509180 1106041460 /nfs/dbraw/zinc/04/14/60/1106041460.db2.gz ZQYYFUROJUHURL-OLZOCXBDSA-N 0 1 343.267 2.898 20 10 EFCDMN [O-]c1cc(Br)ccc1C[NH2+]Cc1ccc(CCO)cc1 ZINC000898169475 1106257975 /nfs/dbraw/zinc/25/79/75/1106257975.db2.gz DHUMLAOYIHOTMD-UHFFFAOYSA-N 0 1 336.229 2.979 20 10 EFCDMN [O-]c1ccc2ccncc2c1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000784000731 1106889728 /nfs/dbraw/zinc/88/97/28/1106889728.db2.gz RCCCJXGBHWGWHS-OAHLLOKOSA-N 0 1 342.439 2.958 20 10 EFCDMN C[C@H]1CC[N@@H+](Cc2c([O-])cc(Br)cc2F)CC[C@H]1O ZINC001233027404 1107545018 /nfs/dbraw/zinc/54/50/18/1107545018.db2.gz RELWULNISQTHFQ-TVQRCGJNSA-N 0 1 332.213 2.887 20 10 EFCDMN C[C@H]1C[N@@H+](Cc2c([O-])cc(Br)cc2F)CC[C@@]1(C)O ZINC001233027506 1107545142 /nfs/dbraw/zinc/54/51/42/1107545142.db2.gz AOMBPOOPSSPMCQ-LKFCYVNXSA-N 0 1 332.213 2.887 20 10 EFCDMN COc1cc(O)c(CN2CCC[C@]23CCOC3)cc1Br ZINC001233142526 1107659355 /nfs/dbraw/zinc/65/93/55/1107659355.db2.gz TUZVKIKAODFFGV-OAHLLOKOSA-N 0 1 342.233 2.918 20 10 EFCDMN CC(C)OC(=O)C(C)(C)NCc1cccc(Br)c1O ZINC000898508209 1108983691 /nfs/dbraw/zinc/98/36/91/1108983691.db2.gz BAAGOOGLWGFZBF-UHFFFAOYSA-N 0 1 330.222 2.975 20 10 EFCDMN C[C@@H]1C[N@@H+](Cc2cc(Br)cc(F)c2[O-])CC[C@]1(C)O ZINC001235057327 1111606370 /nfs/dbraw/zinc/60/63/70/1111606370.db2.gz MBYGNBFKVYRCFM-OTYXRUKQSA-N 0 1 332.213 2.887 20 10 EFCDMN Cn1cc(C[N@@H+](C)Cc2cc(F)cc(Br)c2[O-])cn1 ZINC001235300417 1111732494 /nfs/dbraw/zinc/73/24/94/1111732494.db2.gz YKWPZXXIOFHJBC-UHFFFAOYSA-N 0 1 328.185 2.659 20 10 EFCDMN CC(C)(C)C(=O)CN1CC[C@]2(CCCN2Cc2ccccc2O)C1=O ZINC001272618351 1111752281 /nfs/dbraw/zinc/75/22/81/1111752281.db2.gz GDTVTKHIQGVOTI-HXUWFJFHSA-N 0 1 344.455 2.574 20 10 EFCDMN O=C1N(CC(F)(F)F)CC[C@@]12CCCN2Cc1ccccc1O ZINC001272618706 1111753814 /nfs/dbraw/zinc/75/38/14/1111753814.db2.gz NNCBRTHFJISIFK-HNNXBMFYSA-N 0 1 328.334 2.521 20 10 EFCDMN CCCCN1CC[C@]2(CCC[N@H+]2Cc2ccc(O)c(C)c2O)C1=O ZINC001272659939 1111945975 /nfs/dbraw/zinc/94/59/75/1111945975.db2.gz HVOMVPSFQQGRPL-LJQANCHMSA-N 0 1 332.444 2.773 20 10 EFCDMN COc1cc(C[N@@H+](C)[C@@H]2CCCOC2)c(O)cc1Br ZINC001236751628 1117903548 /nfs/dbraw/zinc/90/35/48/1117903548.db2.gz UWFOFKUFGZMCAI-LLVKDONJSA-N 0 1 330.222 2.774 20 10 EFCDMN COc1ccc(O)c([C@H](C)NCc2cc(-c3cnn(C)c3C)no2)c1 ZINC000184723901 1119408064 /nfs/dbraw/zinc/40/80/64/1119408064.db2.gz RNJSZIFYFFSHFB-NSHDSACASA-N 0 1 342.399 2.949 20 10 EFCDMN CN(Cc1ccccc1O)C(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000053916161 214204254 /nfs/dbraw/zinc/20/42/54/214204254.db2.gz BBTOMWNBDYBEIY-UHFFFAOYSA-N 0 1 341.392 2.976 20 10 EFCDMN C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000185672961 239609954 /nfs/dbraw/zinc/60/99/54/239609954.db2.gz CVYSVSYSTVMFTB-NTZNESFSSA-N 0 1 344.249 2.999 20 10 EFCDMN c1cc(CNCc2ccc3c(c2)CCO3)c(OC[C@@H]2CCOC2)cn1 ZINC000288468888 241014442 /nfs/dbraw/zinc/01/44/42/241014442.db2.gz ORKNQMQGPXZGPH-MRXNPFEDSA-N 0 1 340.423 2.722 20 10 EFCDMN CN(C)c1ccc(CN(CC(=O)NCc2ccco2)C2CC2)cc1 ZINC000298700416 241156483 /nfs/dbraw/zinc/15/64/83/241156483.db2.gz HLIATHXAPNFYMI-UHFFFAOYSA-N 0 1 327.428 2.626 20 10 EFCDMN CCN1CCN(c2ccc(CNc3cc(C)nc(C)n3)cc2F)CC1 ZINC000301200764 241185558 /nfs/dbraw/zinc/18/55/58/241185558.db2.gz QBRYVFUMBRULBO-UHFFFAOYSA-N 0 1 343.450 2.987 20 10 EFCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1n[nH]c(C(C)C)n1 ZINC000297614648 241128879 /nfs/dbraw/zinc/12/88/79/241128879.db2.gz AKPSSVZIHZJUSX-UHFFFAOYSA-N 0 1 344.463 2.726 20 10 EFCDMN Cc1c2ccccc2n(C)c1CNC(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC000352120609 241917884 /nfs/dbraw/zinc/91/78/84/241917884.db2.gz JWXGKJQCCXECMD-UHFFFAOYSA-N 0 1 348.410 2.540 20 10 EFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)CF)C1 ZINC000360607868 242203504 /nfs/dbraw/zinc/20/35/04/242203504.db2.gz PSNKPOPBIGRTQL-AWEZNQCLSA-N 0 1 331.435 2.882 20 10 EFCDMN CC(C)OCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000363713146 242280202 /nfs/dbraw/zinc/28/02/02/242280202.db2.gz DMYVREZMABTQMK-HNNXBMFYSA-N 0 1 340.851 2.551 20 10 EFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC(CF)C2)C1 ZINC000412520801 243349170 /nfs/dbraw/zinc/34/91/70/243349170.db2.gz QINAUNLDNOHLFN-UHFFFAOYSA-N 0 1 343.446 2.836 20 10 EFCDMN Cc1ccc(NC(=O)NC(=O)CN(C)Cc2ccccc2O)c(C)c1 ZINC000109770984 544566967 /nfs/dbraw/zinc/56/69/67/544566967.db2.gz ARNOIHCEMZNOEI-UHFFFAOYSA-N 0 1 341.411 2.789 20 10 EFCDMN COc1ccc(O)c(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000179559886 274114819 /nfs/dbraw/zinc/11/48/19/274114819.db2.gz UIMMMTQHNAWNAA-UHFFFAOYSA-N 0 1 343.383 2.631 20 10 EFCDMN C[C@H](CN1CCCC1=O)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000185110356 298555520 /nfs/dbraw/zinc/55/55/20/298555520.db2.gz NLOHBYCVKOUSDY-GHMZBOCLSA-N 0 1 341.249 2.816 20 10 EFCDMN C[C@H](C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])N1CCN(C)CC1 ZINC000192832417 298778816 /nfs/dbraw/zinc/77/88/16/298778816.db2.gz GSBKAHDGTPWICJ-NEPJUHHUSA-N 0 1 346.302 2.986 20 10 EFCDMN COc1cccc(CNCc2csc(-c3cnn(C)c3)n2)c1O ZINC000529568640 316918784 /nfs/dbraw/zinc/91/87/84/316918784.db2.gz UYAKMVUYIYQEKT-UHFFFAOYSA-N 0 1 330.413 2.548 20 10 EFCDMN C[C@@H]([NH2+]CCCC(=O)N(C)C)c1cc(Br)ccc1[O-] ZINC000185193720 473357566 /nfs/dbraw/zinc/35/75/66/473357566.db2.gz VZVQCAWOUCYXKQ-SNVBAGLBSA-N 0 1 329.238 2.674 20 10 EFCDMN C[C@@H]([NH2+]CCCC(=O)N(C)C)c1ccc(Br)cc1[O-] ZINC000185194487 473357659 /nfs/dbraw/zinc/35/76/59/473357659.db2.gz JODLMPBXVRQXAB-SNVBAGLBSA-N 0 1 329.238 2.674 20 10 EFCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](O)COc1ccc(F)c(F)c1 ZINC000113337832 473385924 /nfs/dbraw/zinc/38/59/24/473385924.db2.gz ZBEMNLSDBGYKLV-SNVBAGLBSA-N 0 1 343.757 2.853 20 10 EFCDMN CCCNC(=O)CN(CC)Cc1cc(Br)ccc1O ZINC000076118600 472277391 /nfs/dbraw/zinc/27/73/91/472277391.db2.gz GRUSCENFROTGDR-UHFFFAOYSA-N 0 1 329.238 2.503 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)N(C)C(C)C)cc2F)CC1 ZINC000086395008 472283147 /nfs/dbraw/zinc/28/31/47/472283147.db2.gz CQLCLPINCLWVQI-UHFFFAOYSA-N 0 1 336.455 2.517 20 10 EFCDMN Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)n[nH]1 ZINC000069622559 472384213 /nfs/dbraw/zinc/38/42/13/472384213.db2.gz CFBHPBOBZZCRBU-KRWDZBQOSA-N 0 1 342.443 2.606 20 10 EFCDMN Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)n[nH]1 ZINC000069622564 472384228 /nfs/dbraw/zinc/38/42/28/472384228.db2.gz CFBHPBOBZZCRBU-QGZVFWFLSA-N 0 1 342.443 2.606 20 10 EFCDMN CN(C)c1ccc(CNC(=O)NC[C@@H](c2ccsc2)N(C)C)cc1 ZINC000031730616 472391117 /nfs/dbraw/zinc/39/11/17/472391117.db2.gz YBQUGCPZKCQSHS-KRWDZBQOSA-N 0 1 346.500 2.916 20 10 EFCDMN CCOc1cccc(CN[C@H](CS(C)(=O)=O)c2ccccc2)c1O ZINC000154938980 472489084 /nfs/dbraw/zinc/48/90/84/472489084.db2.gz ULFXWHKHUFTTCV-MRXNPFEDSA-N 0 1 349.452 2.666 20 10 EFCDMN Cc1cc(O)c(CN[C@@H](CS(C)(=O)=O)c2ccccc2)cc1C ZINC000154982879 472493429 /nfs/dbraw/zinc/49/34/29/472493429.db2.gz YIPVDHITCZKFSM-KRWDZBQOSA-N 0 1 333.453 2.885 20 10 EFCDMN COC(=O)c1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000070976715 472530439 /nfs/dbraw/zinc/53/04/39/472530439.db2.gz QDQLXPIXWNROFW-HNNXBMFYSA-N 0 1 345.395 2.953 20 10 EFCDMN CCN(C)C(=O)CC[N@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000130570473 472615186 /nfs/dbraw/zinc/61/51/86/472615186.db2.gz CPOJUKGLEXIUOD-UHFFFAOYSA-N 0 1 343.265 2.845 20 10 EFCDMN CCN(C)C(=O)CC[N@@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000130570473 472615189 /nfs/dbraw/zinc/61/51/89/472615189.db2.gz CPOJUKGLEXIUOD-UHFFFAOYSA-N 0 1 343.265 2.845 20 10 EFCDMN CCOc1cccc(CN(CCO)Cc2ccccc2OC)c1O ZINC000091790408 472808453 /nfs/dbraw/zinc/80/84/53/472808453.db2.gz RGSIJPTVODONJW-UHFFFAOYSA-N 0 1 331.412 2.794 20 10 EFCDMN CN(C)[C@@H](CNC(=O)N(C)Cc1ccccc1O)c1ccsc1 ZINC000079267257 472840353 /nfs/dbraw/zinc/84/03/53/472840353.db2.gz WEJOIMGNWQYSMP-HNNXBMFYSA-N 0 1 333.457 2.898 20 10 EFCDMN CCO[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000158038713 472886368 /nfs/dbraw/zinc/88/63/68/472886368.db2.gz JLLISBMWBXKGOZ-SWLSCSKDSA-N 0 1 340.851 2.551 20 10 EFCDMN COCCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134263559 472889840 /nfs/dbraw/zinc/88/98/40/472889840.db2.gz DKOSFPMYZXFYPI-OAHLLOKOSA-N 0 1 340.851 2.553 20 10 EFCDMN COc1cccc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)c1O ZINC000160432565 473124220 /nfs/dbraw/zinc/12/42/20/473124220.db2.gz ZRJHDFAWIDLSFZ-UHFFFAOYSA-N 0 1 343.383 2.631 20 10 EFCDMN C[N@@H+]1[C@@H]2CC[C@H]1CCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C2 ZINC000093614751 473125343 /nfs/dbraw/zinc/12/53/43/473125343.db2.gz RXUNYMDQKDGVRC-QWHCGFSZSA-N 0 1 325.796 2.622 20 10 EFCDMN COCCOC[C@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000093754000 473138116 /nfs/dbraw/zinc/13/81/16/473138116.db2.gz OIEZFABBDPHOIB-LBPRGKRZSA-N 0 1 344.249 2.640 20 10 EFCDMN COCCOC[C@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000093754000 473138122 /nfs/dbraw/zinc/13/81/22/473138122.db2.gz OIEZFABBDPHOIB-LBPRGKRZSA-N 0 1 344.249 2.640 20 10 EFCDMN COc1ncccc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000151134850 473413593 /nfs/dbraw/zinc/41/35/93/473413593.db2.gz HLDYWWCHCNCQJY-HNNXBMFYSA-N 0 1 327.428 2.778 20 10 EFCDMN Cc1nn(C)c(C)c1CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000151207620 473426291 /nfs/dbraw/zinc/42/62/91/473426291.db2.gz KQTVVQDNZYRCHK-ZDUSSCGKSA-N 0 1 346.450 2.863 20 10 EFCDMN Cc1nn(C)c(C)c1CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000151207684 473426306 /nfs/dbraw/zinc/42/63/06/473426306.db2.gz KQTVVQDNZYRCHK-CYBMUJFWSA-N 0 1 346.450 2.863 20 10 EFCDMN COCCCN(C)CC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000185554138 473455344 /nfs/dbraw/zinc/45/53/44/473455344.db2.gz ZIGRFVPPOUDPDN-GFCCVEGCSA-N 0 1 345.281 2.774 20 10 EFCDMN CC(C)C(=O)N1CCCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000191261707 473520835 /nfs/dbraw/zinc/52/08/35/473520835.db2.gz MZJHHHRRLITDSL-UHFFFAOYSA-N 0 1 328.815 2.875 20 10 EFCDMN CC(C)NS(=O)(=O)CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000185970907 473561698 /nfs/dbraw/zinc/56/16/98/473561698.db2.gz OGFDVXGRABUDFR-CYBMUJFWSA-N 0 1 336.457 2.524 20 10 EFCDMN CC(C)N1CC[C@@H]([NH2+][C@H](C)c2cc(Br)ccc2[O-])C1=O ZINC000186047645 473577932 /nfs/dbraw/zinc/57/79/32/473577932.db2.gz VIOOWEILJQOGKE-ZWNOBZJWSA-N 0 1 341.249 2.815 20 10 EFCDMN C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1cc(Br)ccc1[O-] ZINC000186088054 473588571 /nfs/dbraw/zinc/58/85/71/473588571.db2.gz OJKZNLCFNYBYLP-KOLCDFICSA-N 0 1 339.233 2.569 20 10 EFCDMN COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000179151299 473639929 /nfs/dbraw/zinc/63/99/29/473639929.db2.gz UNDWBNWIXQGZAT-CYBMUJFWSA-N 0 1 325.792 2.776 20 10 EFCDMN COC(=O)C[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000179151299 473639936 /nfs/dbraw/zinc/63/99/36/473639936.db2.gz UNDWBNWIXQGZAT-CYBMUJFWSA-N 0 1 325.792 2.776 20 10 EFCDMN CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000186353744 473657862 /nfs/dbraw/zinc/65/78/62/473657862.db2.gz PWOQCVXTCCIAAN-JTQLQIEISA-N 0 1 343.265 2.968 20 10 EFCDMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cccc(O)c1O ZINC000186764400 473752183 /nfs/dbraw/zinc/75/21/83/473752183.db2.gz RUIPAZZHZPWNSH-ZDUSSCGKSA-N 0 1 332.425 2.726 20 10 EFCDMN Cc1ccc([C@H](CNC(=O)c2cccc(O)c2O)N2CCCC2)o1 ZINC000187060169 473810078 /nfs/dbraw/zinc/81/00/78/473810078.db2.gz JMYUAVVOYPOWSJ-AWEZNQCLSA-N 0 1 330.384 2.566 20 10 EFCDMN COc1cc(O)c(CN2CCc3ccccc3[C@H]2CO)cc1OC ZINC000180281875 473846068 /nfs/dbraw/zinc/84/60/68/473846068.db2.gz VVGSGBKEXVHKJQ-MRXNPFEDSA-N 0 1 329.396 2.501 20 10 EFCDMN CCOc1cccc(S(=O)(=O)Nc2ccc(O)cc2OCC)c1 ZINC000281834050 473853428 /nfs/dbraw/zinc/85/34/28/473853428.db2.gz HNFMCAJYAPWZSQ-UHFFFAOYSA-N 0 1 337.397 2.990 20 10 EFCDMN Cc1cc(C(=O)NCCc2nc(C)n[nH]2)c(C)n1-c1ccc(F)cc1 ZINC000264336951 473961342 /nfs/dbraw/zinc/96/13/42/473961342.db2.gz MKVQAKBOWXUPQM-UHFFFAOYSA-N 0 1 341.390 2.632 20 10 EFCDMN COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000188105748 473984005 /nfs/dbraw/zinc/98/40/05/473984005.db2.gz DLXSMSSUTFIGFO-SKDRFNHKSA-N 0 1 342.779 2.585 20 10 EFCDMN C[C@@H]1CCCN(c2ccc(CNC(=O)c3cnn[nH]3)cc2Cl)C1 ZINC000282255988 473999140 /nfs/dbraw/zinc/99/91/40/473999140.db2.gz ORNRUPQMKGURTR-LLVKDONJSA-N 0 1 333.823 2.624 20 10 EFCDMN COc1ccnc(CN(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000264471036 474003610 /nfs/dbraw/zinc/00/36/10/474003610.db2.gz XWUXPUVHHKLOHS-UHFFFAOYSA-N 0 1 327.428 2.559 20 10 EFCDMN COc1cccc2c1CCN(Cc1cc(OC)c(OC)cc1O)C2 ZINC000181451604 474037783 /nfs/dbraw/zinc/03/77/83/474037783.db2.gz VSKOCRQDHGASRW-UHFFFAOYSA-N 0 1 329.396 2.976 20 10 EFCDMN C[C@@](O)(C[NH2+]Cc1cc(Br)ccc1[O-])C(F)(F)F ZINC000270487531 474137438 /nfs/dbraw/zinc/13/74/38/474137438.db2.gz KPDYVNVTXMMVNR-SNVBAGLBSA-N 0 1 328.128 2.558 20 10 EFCDMN C[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])C(=O)NC(C)(C)C ZINC000227441655 474245534 /nfs/dbraw/zinc/24/55/34/474245534.db2.gz OOXXMGJTQKBGIR-SECBINFHSA-N 0 1 329.238 2.548 20 10 EFCDMN CC[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1cc(Br)ccc1[O-] ZINC000228058067 474247543 /nfs/dbraw/zinc/24/75/43/474247543.db2.gz ZKXLHSYHPGNDFY-RIEGTJTDSA-N 0 1 344.249 2.735 20 10 EFCDMN CN(C)c1ccc(C[N@@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000289596988 474338573 /nfs/dbraw/zinc/33/85/73/474338573.db2.gz XNDJZYMYVVDRDT-CQSZACIVSA-N 0 1 343.393 2.643 20 10 EFCDMN CN(C)c1ccc(C[N@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000289596988 474338578 /nfs/dbraw/zinc/33/85/78/474338578.db2.gz XNDJZYMYVVDRDT-CQSZACIVSA-N 0 1 343.393 2.643 20 10 EFCDMN CC[C@H]([NH2+]Cc1cc(Br)ccc1[O-])[C@H](O)C(F)(F)F ZINC000270998350 474359600 /nfs/dbraw/zinc/35/96/00/474359600.db2.gz PPFOIBRGDHVGTC-ONGXEEELSA-N 0 1 342.155 2.946 20 10 EFCDMN CCN(C)[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC000183439794 474379994 /nfs/dbraw/zinc/37/99/94/474379994.db2.gz WPPPVUZIXABFPQ-IFXJQAMLSA-N 0 1 342.439 2.838 20 10 EFCDMN COc1ccc(O)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000183486322 474386193 /nfs/dbraw/zinc/38/61/93/474386193.db2.gz MUPPLMHUEYLYNI-UHFFFAOYSA-N 0 1 343.383 2.631 20 10 EFCDMN CN(C)c1ccc(CN2CCC(N3CCCCC3=O)CC2)cc1F ZINC000271169467 474417536 /nfs/dbraw/zinc/41/75/36/474417536.db2.gz DEEKDUJQYFPFSA-UHFFFAOYSA-N 0 1 333.451 2.869 20 10 EFCDMN CN(C)c1ccc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1F ZINC000289821480 474443388 /nfs/dbraw/zinc/44/33/88/474443388.db2.gz TYBCTVFKURGZKW-QWHCGFSZSA-N 0 1 334.357 2.884 20 10 EFCDMN COc1cncc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000290067660 474546423 /nfs/dbraw/zinc/54/64/23/474546423.db2.gz VWQVLCPZOFSHBJ-KRWDZBQOSA-N 0 1 328.412 2.977 20 10 EFCDMN CC[C@H]([NH2+][C@H]1COC[C@@H]1OC)c1cc(Br)ccc1[O-] ZINC000290121093 474558307 /nfs/dbraw/zinc/55/83/07/474558307.db2.gz JJOKFVUEQQMUDZ-OBJOEFQTSA-N 0 1 330.222 2.609 20 10 EFCDMN Cc1cc(NS(=O)(=O)c2cnn(CC(F)F)c2)c(C)c(C)c1O ZINC000284052686 474560268 /nfs/dbraw/zinc/56/02/68/474560268.db2.gz XWFGATCFCDBLNW-UHFFFAOYSA-N 0 1 345.371 2.580 20 10 EFCDMN Cc1ccc([C@@H](CNC(=O)c2c(F)ccc(O)c2[O-])[NH+](C)C)cc1 ZINC000276664313 474568738 /nfs/dbraw/zinc/56/87/38/474568738.db2.gz YLEUZBDISLAGGS-CQSZACIVSA-N 0 1 332.375 2.578 20 10 EFCDMN CCc1cc(O)ccc1NS(=O)(=O)c1cccc2c1OCCO2 ZINC000276810446 474571352 /nfs/dbraw/zinc/57/13/52/474571352.db2.gz FTDOOCYQMRKDPB-UHFFFAOYSA-N 0 1 335.381 2.527 20 10 EFCDMN CC[C@H](C)c1nc([C@H](C)NCc2cc(OC)c(OC)cc2O)n[nH]1 ZINC000276829229 474572661 /nfs/dbraw/zinc/57/26/61/474572661.db2.gz BIIZNMFGFPTLDL-QWRGUYRKSA-N 0 1 334.420 2.892 20 10 EFCDMN COc1cc(Cl)cc(CN2CCC(NC(=O)C3CC3)CC2)c1O ZINC000184677199 474580340 /nfs/dbraw/zinc/58/03/40/474580340.db2.gz GHMVCGXFYIBTEV-UHFFFAOYSA-N 0 1 338.835 2.545 20 10 EFCDMN O=C(NCc1ccccc1C[NH+]1CCCC1)c1c(F)ccc(O)c1[O-] ZINC000277312451 474581818 /nfs/dbraw/zinc/58/18/18/474581818.db2.gz FFBSKELHPBDXRH-UHFFFAOYSA-N 0 1 344.386 2.763 20 10 EFCDMN COc1ccc(N2CCN([C@H]3Cc4ccccc4[C@@H]3O)CC2)cc1F ZINC000271881801 474598280 /nfs/dbraw/zinc/59/82/80/474598280.db2.gz CEJCZSDIQCTTMZ-ICSRJNTNSA-N 0 1 342.414 2.615 20 10 EFCDMN COc1c([O-])c(C[N@H+](C)Cc2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000278207385 474604291 /nfs/dbraw/zinc/60/42/91/474604291.db2.gz JSEGFXUHPODVFI-UHFFFAOYSA-N 0 1 346.339 2.670 20 10 EFCDMN COc1c([O-])c(C[N@@H+](C)Cc2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000278207385 474604296 /nfs/dbraw/zinc/60/42/96/474604296.db2.gz JSEGFXUHPODVFI-UHFFFAOYSA-N 0 1 346.339 2.670 20 10 EFCDMN COc1c([O-])c(CN2CCC[C@H]2C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000278302546 474606489 /nfs/dbraw/zinc/60/64/89/474606489.db2.gz WBTLGFXYVCDGAX-HNNXBMFYSA-N 0 1 349.431 2.759 20 10 EFCDMN COc1c(O)cccc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000272314004 474607987 /nfs/dbraw/zinc/60/79/87/474607987.db2.gz SDSYXANVHKBVMB-UHFFFAOYSA-N 0 1 342.439 2.869 20 10 EFCDMN COC(=O)c1ccc2c(c1)CN(Cc1cc(OC)ccc1O)CC2 ZINC000272330951 474608453 /nfs/dbraw/zinc/60/84/53/474608453.db2.gz DTUBIUMJIMDVGA-UHFFFAOYSA-N 0 1 327.380 2.746 20 10 EFCDMN O=C(NCc1ccc(N2CCCC2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272544997 474616802 /nfs/dbraw/zinc/61/68/02/474616802.db2.gz KASBEQCHIFLHIC-UHFFFAOYSA-N 0 1 341.367 2.831 20 10 EFCDMN C[C@H]([NH2+]CCCN1CCOCC1)c1cc(Br)ccc1[O-] ZINC000184837669 474617866 /nfs/dbraw/zinc/61/78/66/474617866.db2.gz DUBIQYYMTGRCBX-LBPRGKRZSA-N 0 1 343.265 2.528 20 10 EFCDMN CCCc1nc(C)c(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])o1 ZINC000292823108 474660870 /nfs/dbraw/zinc/66/08/70/474660870.db2.gz QFHPYYISNRZITQ-UHFFFAOYSA-N 0 1 335.360 2.848 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)C3(C)CCC3)cc2F)CC1 ZINC000267387677 474665211 /nfs/dbraw/zinc/66/52/11/474665211.db2.gz LUSPNBLCBLONFR-UHFFFAOYSA-N 0 1 333.451 2.774 20 10 EFCDMN Cc1cc(C(=O)NCCc2nc[nH]n2)c(C)n1-c1cc(C)cc(C)c1 ZINC000267387291 474665515 /nfs/dbraw/zinc/66/55/15/474665515.db2.gz WIXVUXUCXOQSEP-UHFFFAOYSA-N 0 1 337.427 2.802 20 10 EFCDMN COc1c([O-])c(C[N@H+](CCO)Cc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000278525644 474680114 /nfs/dbraw/zinc/68/01/14/474680114.db2.gz TVBXYDIJBVDIKD-UHFFFAOYSA-N 0 1 346.383 2.612 20 10 EFCDMN COc1c([O-])c(C[N@@H+](CCO)Cc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000278525644 474680121 /nfs/dbraw/zinc/68/01/21/474680121.db2.gz TVBXYDIJBVDIKD-UHFFFAOYSA-N 0 1 346.383 2.612 20 10 EFCDMN COC[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])[C@H]1CCCO1 ZINC000278701138 474781917 /nfs/dbraw/zinc/78/19/17/474781917.db2.gz HLTLPAXNWPOSQF-VZJVUDMVSA-N 0 1 344.249 2.999 20 10 EFCDMN COc1c([O-])c(C[NH2+]CCN(C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000278833487 474860872 /nfs/dbraw/zinc/86/08/72/474860872.db2.gz IXASACIREJCZIO-UHFFFAOYSA-N 0 1 325.409 2.517 20 10 EFCDMN C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cc(Br)ccc1[O-] ZINC000273443942 474899785 /nfs/dbraw/zinc/89/97/85/474899785.db2.gz DSVRCCMBRSHHQV-ZUZCIYMTSA-N 0 1 344.249 2.593 20 10 EFCDMN C[C@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273528089 474946447 /nfs/dbraw/zinc/94/64/47/474946447.db2.gz VROGZUPUFISCMP-XPTSAGLGSA-N 0 1 338.310 2.963 20 10 EFCDMN CN(Cc1ccc(OCc2ccccc2)cc1O)[C@@H]1CCN(C)C1=O ZINC000273547583 474957549 /nfs/dbraw/zinc/95/75/49/474957549.db2.gz URIMCIHRJADJAD-GOSISDBHSA-N 0 1 340.423 2.634 20 10 EFCDMN C[C@@H]([NH2+]CCN1CCSCC1)c1ccc(Br)cc1[O-] ZINC000273561334 474962892 /nfs/dbraw/zinc/96/28/92/474962892.db2.gz IDSZJZCMGJKGCA-LLVKDONJSA-N 0 1 345.306 2.854 20 10 EFCDMN COCCN1CC[C@@H]([NH2+][C@@H](C)c2cc(Br)ccc2[O-])C1 ZINC000273562997 474964798 /nfs/dbraw/zinc/96/47/98/474964798.db2.gz IRCWITSKEFKLCT-WCQYABFASA-N 0 1 343.265 2.526 20 10 EFCDMN CN(C)c1ccc(CN2CCC(CC(N)=O)CC2)c(C(F)(F)F)c1 ZINC000279530418 474978727 /nfs/dbraw/zinc/97/87/27/474978727.db2.gz BWZZGJMOLCHARR-UHFFFAOYSA-N 0 1 343.393 2.859 20 10 EFCDMN CCCCOC[C@@H](O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000279982554 475001928 /nfs/dbraw/zinc/00/19/28/475001928.db2.gz JVBUBPOYGXHWGX-ROUUACIJSA-N 0 1 337.460 2.551 20 10 EFCDMN Cc1cnn(C)c1CNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000285461372 475025861 /nfs/dbraw/zinc/02/58/61/475025861.db2.gz MZANCUWXLFWWMX-HUUCEWRRSA-N 0 1 346.450 2.771 20 10 EFCDMN CCS(=O)(=O)c1ccc(CNCc2cc(F)ccc2O)s1 ZINC000280509886 475028989 /nfs/dbraw/zinc/02/89/89/475028989.db2.gz GTVPTFSFWCJMIT-UHFFFAOYSA-N 0 1 329.418 2.676 20 10 EFCDMN O=C(N1CCCC1)N1CCC[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000285673164 475037726 /nfs/dbraw/zinc/03/77/26/475037726.db2.gz ZWNYJUPWTRSNAX-CYBMUJFWSA-N 0 1 337.851 2.815 20 10 EFCDMN CC(C)N1CC[C@H](NCc2ccc(N(C)C)cc2C(F)(F)F)C1=O ZINC000280665680 475042443 /nfs/dbraw/zinc/04/24/43/475042443.db2.gz BYGTWUBIXBWUSR-HNNXBMFYSA-N 0 1 343.393 2.870 20 10 EFCDMN COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccc(N(C)C)cc2)C1 ZINC000286506670 475068300 /nfs/dbraw/zinc/06/83/00/475068300.db2.gz MPBSSQVOGXUXIP-OAHLLOKOSA-N 0 1 330.350 2.680 20 10 EFCDMN CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000281145250 475090308 /nfs/dbraw/zinc/09/03/08/475090308.db2.gz FDBMRVHAZFPIIL-QGZVFWFLSA-N 0 1 341.835 2.837 20 10 EFCDMN Oc1cc2c(cc1CNCc1cccc(C(F)(F)F)n1)OCO2 ZINC000294930286 475092275 /nfs/dbraw/zinc/09/22/75/475092275.db2.gz ZLBHZRDGCQVMAX-UHFFFAOYSA-N 0 1 326.274 2.825 20 10 EFCDMN COc1ccc(N2CCN(CCCNc3ncccc3F)CC2)cc1 ZINC000301598066 476171607 /nfs/dbraw/zinc/17/16/07/476171607.db2.gz XIOABJLTKPVKND-UHFFFAOYSA-N 0 1 344.434 2.854 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](c3nccn3C)C2)c1[O-] ZINC000373116840 476378242 /nfs/dbraw/zinc/37/82/42/476378242.db2.gz ZPLDKVIZSLYZDU-CYBMUJFWSA-N 0 1 331.391 2.847 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)c1[O-] ZINC000373116840 476378247 /nfs/dbraw/zinc/37/82/47/476378247.db2.gz ZPLDKVIZSLYZDU-CYBMUJFWSA-N 0 1 331.391 2.847 20 10 EFCDMN COc1ccc(CNC(=O)[C@H]2CCCN2Cc2ccccc2)c(O)c1 ZINC000373692692 476420683 /nfs/dbraw/zinc/42/06/83/476420683.db2.gz CZNOSZQLWYMQJV-GOSISDBHSA-N 0 1 340.423 2.682 20 10 EFCDMN C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1c([O-])ccc(Cl)c1F ZINC000369639845 476452766 /nfs/dbraw/zinc/45/27/66/476452766.db2.gz OBLDYTPNADKUFY-LBPRGKRZSA-N 0 1 342.842 2.870 20 10 EFCDMN Cc1nccnc1N1CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000374204090 476459818 /nfs/dbraw/zinc/45/98/18/476459818.db2.gz HIFUYGCRBDTKCW-UHFFFAOYSA-N 0 1 336.798 2.605 20 10 EFCDMN Cc1c2ccccc2n(C)c1CNC(=O)CCCCc1cn[nH]n1 ZINC000352110183 476523501 /nfs/dbraw/zinc/52/35/01/476523501.db2.gz ARBSFSJBLBJLDE-UHFFFAOYSA-N 0 1 325.416 2.634 20 10 EFCDMN CN(C)c1ccc(CN2CCC[C@H](N3CCCCC3=O)C2)cc1F ZINC000372413453 477795234 /nfs/dbraw/zinc/79/52/34/477795234.db2.gz LHRNUWVIHCGGCH-INIZCTEOSA-N 0 1 333.451 2.869 20 10 EFCDMN COc1ccc(CNCc2csc(-c3cnn(C)c3)n2)c(O)c1 ZINC000529554494 479204613 /nfs/dbraw/zinc/20/46/13/479204613.db2.gz BWQOYIPCWLWYSG-UHFFFAOYSA-N 0 1 330.413 2.548 20 10 EFCDMN CCCCN(Cc1cc(OCC)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000160786502 528441746 /nfs/dbraw/zinc/44/17/46/528441746.db2.gz VLQBKUKXLHMVED-HNNXBMFYSA-N 0 1 341.473 2.580 20 10 EFCDMN CCN(C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)C1CC1 ZINC000171751337 529002522 /nfs/dbraw/zinc/00/25/22/529002522.db2.gz MAUGWOJYKKVEDO-UHFFFAOYSA-N 0 1 348.466 2.662 20 10 EFCDMN CC[C@@H]([NH2+]CC(=O)NCC1CC1)c1cc(Br)ccc1[O-] ZINC000157896264 529154705 /nfs/dbraw/zinc/15/47/05/529154705.db2.gz ZEBMJQQFHREXEU-CYBMUJFWSA-N 0 1 341.249 2.722 20 10 EFCDMN CCCN1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000298723668 534926454 /nfs/dbraw/zinc/92/64/54/534926454.db2.gz MRDRSDZMDQQBHA-UHFFFAOYSA-N 0 1 326.444 2.657 20 10 EFCDMN COC[C@H]1CN(Cc2ccc(N3CCC(OC)CC3)cc2)C[C@@H](C)O1 ZINC000296035641 536587432 /nfs/dbraw/zinc/58/74/32/536587432.db2.gz PKXVTMATCQLTLJ-OXQOHEQNSA-N 0 1 348.487 2.538 20 10 EFCDMN COc1ccc(N2CCCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)cc1 ZINC000364356744 536672473 /nfs/dbraw/zinc/67/24/73/536672473.db2.gz FMSQZGOATFVBEG-UHFFFAOYSA-N 0 1 342.443 2.894 20 10 EFCDMN COc1ccncc1CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000294486092 537119176 /nfs/dbraw/zinc/11/91/76/537119176.db2.gz XMWFMPCICJBVPT-CQSZACIVSA-N 0 1 345.418 2.917 20 10 EFCDMN CCc1nc(COC(=O)c2sc3nc(C)cc(C)c3c2N)n[nH]1 ZINC000754779115 575488121 /nfs/dbraw/zinc/48/81/21/575488121.db2.gz WWZZDGXYDMETOH-UHFFFAOYSA-N 0 1 331.401 2.533 20 10 EFCDMN O=C([O-])[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccc(O)cc1 ZINC000756364685 575723726 /nfs/dbraw/zinc/72/37/26/575723726.db2.gz PCPUEBDAIQKAJW-CQSZACIVSA-N 0 1 325.723 2.806 20 10 EFCDMN CCC[C@@H](C)C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(=O)[O-] ZINC000756387804 575728343 /nfs/dbraw/zinc/72/83/43/575728343.db2.gz MISLJKKWUCKPMS-APWZRJJASA-N 0 1 347.503 2.808 20 10 EFCDMN C[C@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1cc(Cl)ccc1[O-] ZINC000756429780 575737816 /nfs/dbraw/zinc/73/78/16/575737816.db2.gz FBPCMNMXAACYAS-NSHDSACASA-N 0 1 329.791 2.872 20 10 EFCDMN C[C@@H](CS(=O)(=O)c1ccccc1)NCc1ccc2c(c1)CCO2 ZINC000756516865 575753072 /nfs/dbraw/zinc/75/30/72/575753072.db2.gz UAMNTKOASGXPGF-AWEZNQCLSA-N 0 1 331.437 2.574 20 10 EFCDMN C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1cc(Br)ccc1[O-] ZINC000756533045 575756283 /nfs/dbraw/zinc/75/62/83/575756283.db2.gz HNYJTIQITCEFIR-NWDGAFQWSA-N 0 1 343.265 2.526 20 10 EFCDMN C[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000756561318 575762510 /nfs/dbraw/zinc/76/25/10/575762510.db2.gz ARINEWBTOQSZDU-VXGBXAGGSA-N 0 1 344.249 2.858 20 10 EFCDMN C[C@H]([NH2+]CCOC[C@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000756561317 575762590 /nfs/dbraw/zinc/76/25/90/575762590.db2.gz ARINEWBTOQSZDU-RYUDHWBXSA-N 0 1 344.249 2.858 20 10 EFCDMN C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756587045 575765612 /nfs/dbraw/zinc/76/56/12/575765612.db2.gz YJCLEEFSTYCNJA-QWHCGFSZSA-N 0 1 340.414 2.822 20 10 EFCDMN C[C@H]([NH2+]CC(=O)NC1CCCC1)c1ccc(Br)cc1[O-] ZINC000756704051 575779112 /nfs/dbraw/zinc/77/91/12/575779112.db2.gz DWYRJHKJIGMHRP-JTQLQIEISA-N 0 1 341.249 2.864 20 10 EFCDMN COCCOC[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000756731438 575781916 /nfs/dbraw/zinc/78/19/16/575781916.db2.gz AKRMQSPXKMSZBL-QWRGUYRKSA-N 0 1 332.238 2.857 20 10 EFCDMN C[C@H]([NH2+]C1COC(C)(C)OC1)c1cc(Br)ccc1[O-] ZINC000757698820 575850441 /nfs/dbraw/zinc/85/04/41/575850441.db2.gz SVBAIMPURCVQQT-VIFPVBQESA-N 0 1 330.222 2.957 20 10 EFCDMN COc1cc(F)c(S(=O)(=O)Nc2ccc(O)cc2F)c(F)c1 ZINC000758168950 575861702 /nfs/dbraw/zinc/86/17/02/575861702.db2.gz IIAZUBWKRDJRCZ-UHFFFAOYSA-N 0 1 333.287 2.619 20 10 EFCDMN O=S1(=O)CC[C@H](CC[N@@H+](Cc2ccccc2[O-])C2CCCC2)C1 ZINC000760839283 576079831 /nfs/dbraw/zinc/07/98/31/576079831.db2.gz CBCWQBYAQPZUSP-HNNXBMFYSA-N 0 1 337.485 2.962 20 10 EFCDMN O=S1(=O)CC[C@H](CC[N@H+](Cc2ccccc2[O-])C2CCCC2)C1 ZINC000760839283 576079832 /nfs/dbraw/zinc/07/98/32/576079832.db2.gz CBCWQBYAQPZUSP-HNNXBMFYSA-N 0 1 337.485 2.962 20 10 EFCDMN CN(C)C(=O)N1CCN(Cc2cc(Cl)cc(F)c2O)C(C)(C)C1 ZINC000761225298 576132655 /nfs/dbraw/zinc/13/26/55/576132655.db2.gz CDTPTIQRPNOWEM-UHFFFAOYSA-N 0 1 343.830 2.763 20 10 EFCDMN CCN(CC)c1ccc(CN2CC[C@H](NC(=O)NC3CC3)C2)cc1F ZINC000761230407 576133605 /nfs/dbraw/zinc/13/36/05/576133605.db2.gz XHYHTGCXTUJOLU-INIZCTEOSA-N 0 1 348.466 2.708 20 10 EFCDMN CCCN(Cc1ccccc1O)C(=O)c1cc(F)cc2nn[nH]c21 ZINC000764608168 576478930 /nfs/dbraw/zinc/47/89/30/576478930.db2.gz FPJQJLZZPBOECE-UHFFFAOYSA-N 0 1 328.347 2.855 20 10 EFCDMN O=c1[nH]ncc(NCc2cccc(Br)c2O)c1Cl ZINC000764933111 576525768 /nfs/dbraw/zinc/52/57/68/576525768.db2.gz CETRWEWKMWXRLR-UHFFFAOYSA-N 0 1 330.569 2.916 20 10 EFCDMN C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccoc1 ZINC000765252892 577023332 /nfs/dbraw/zinc/02/33/32/577023332.db2.gz JWBPNUJHADBPSR-GOEBONIOSA-N 0 1 327.428 2.832 20 10 EFCDMN C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccco1 ZINC000765254560 577023509 /nfs/dbraw/zinc/02/35/09/577023509.db2.gz NMVRLGAOIZCDTK-GOEBONIOSA-N 0 1 327.428 2.832 20 10 EFCDMN C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccco1 ZINC000765254563 577023642 /nfs/dbraw/zinc/02/36/42/577023642.db2.gz NMVRLGAOIZCDTK-ZBFHGGJFSA-N 0 1 327.428 2.832 20 10 EFCDMN C[C@H](NCc1cnn(C)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000765289626 577027991 /nfs/dbraw/zinc/02/79/91/577027991.db2.gz CCXGKQRXKUSJFI-ZDUSSCGKSA-N 0 1 334.851 2.761 20 10 EFCDMN CCN1C[C@H](C)N(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H]1C ZINC000765717942 577070396 /nfs/dbraw/zinc/07/03/96/577070396.db2.gz MEXQDRPIGLSYKR-IRXDYDNUSA-N 0 1 342.487 2.687 20 10 EFCDMN CCN1C[C@H](C)N(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@H]1C ZINC000766250914 577127128 /nfs/dbraw/zinc/12/71/28/577127128.db2.gz LUWPDQXVVGKYEA-CVEARBPZSA-N 0 1 344.503 2.693 20 10 EFCDMN CCN1C[C@H](C)N(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H]1C ZINC000766252645 577127663 /nfs/dbraw/zinc/12/76/63/577127663.db2.gz RLZAFHBNCXKEBG-KGLIPLIRSA-N 0 1 336.455 2.516 20 10 EFCDMN C[C@@H]1CC[N@@H+](Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)[C@H]2CCCC[C@@H]12 ZINC000737751546 577253623 /nfs/dbraw/zinc/25/36/23/577253623.db2.gz MBOHJJHIQQSFJX-ZLDLUXBVSA-N 0 1 344.415 2.534 20 10 EFCDMN COc1cc(Br)cc(CN2CCC(OC)CC2)c1O ZINC000768215827 577261304 /nfs/dbraw/zinc/26/13/04/577261304.db2.gz MWMIPINAINMFEJ-UHFFFAOYSA-N 0 1 330.222 2.774 20 10 EFCDMN CCOc1ccc(CN2CCC[C@@H]2C(=O)NCc2ccco2)c(O)c1 ZINC000768249680 577262904 /nfs/dbraw/zinc/26/29/04/577262904.db2.gz ZOOOJOIVTLXRDJ-QGZVFWFLSA-N 0 1 344.411 2.665 20 10 EFCDMN C[C@@H](NCC(F)(F)CO)c1cc(Br)c(F)cc1O ZINC000768288320 577264513 /nfs/dbraw/zinc/26/45/13/577264513.db2.gz YGBDILHXWIPRCF-ZCFIWIBFSA-N 0 1 328.128 2.572 20 10 EFCDMN COc1cccc(O)c1CN1CCCN(C(=O)c2ccccc2)CC1 ZINC000768523137 577280300 /nfs/dbraw/zinc/28/03/00/577280300.db2.gz CAAVEHGOAOUSTQ-UHFFFAOYSA-N 0 1 340.423 2.749 20 10 EFCDMN CCC1(O)CCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000769485747 577366390 /nfs/dbraw/zinc/36/63/90/577366390.db2.gz OUJMEFRRUFPBHD-UHFFFAOYSA-N 0 1 344.249 2.900 20 10 EFCDMN CCN(C)c1ccc(CN(C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000773757881 581462070 /nfs/dbraw/zinc/46/20/70/581462070.db2.gz QZAFLKQWFHZJLR-OAHLLOKOSA-N 0 1 343.393 2.738 20 10 EFCDMN COc1c([O-])c(C[N@@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)ccc1[N+](=O)[O-] ZINC000774916005 581504138 /nfs/dbraw/zinc/50/41/38/581504138.db2.gz XRHNBYQTZWBMFZ-GUYCJALGSA-N 0 1 338.404 2.944 20 10 EFCDMN COc1c([O-])c(C[NH2+]Cc2cccnc2OC(C)C)ccc1[N+](=O)[O-] ZINC000774943220 581504828 /nfs/dbraw/zinc/50/48/28/581504828.db2.gz YEOWQTMVDUBGAC-UHFFFAOYSA-N 0 1 347.371 2.781 20 10 EFCDMN CC[N@@H+](CCC(=O)[O-])Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000737095721 600423678 /nfs/dbraw/zinc/42/36/78/600423678.db2.gz BUINOZWISCVEGO-UHFFFAOYSA-N 0 1 331.368 2.629 20 10 EFCDMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000394382290 601254569 /nfs/dbraw/zinc/25/45/69/601254569.db2.gz QKZDFGLGZJZZMQ-VFXHQOSVSA-N 0 1 345.399 2.756 20 10 EFCDMN O=C([O-])C[C@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2O)CCO1 ZINC000833220275 601376274 /nfs/dbraw/zinc/37/62/74/601376274.db2.gz XXPQCKIOZHRKQL-ZDUSSCGKSA-N 0 1 341.363 2.967 20 10 EFCDMN C[C@H]1C[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C[C@H]1N(C)C ZINC000828457652 601635050 /nfs/dbraw/zinc/63/50/50/601635050.db2.gz VTWCZMXNAQWPOC-YVEFUNNKSA-N 0 1 328.412 2.626 20 10 EFCDMN C[C@H]1CN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)C[C@H]1[NH+](C)C ZINC000828457652 601635052 /nfs/dbraw/zinc/63/50/52/601635052.db2.gz VTWCZMXNAQWPOC-YVEFUNNKSA-N 0 1 328.412 2.626 20 10 EFCDMN COC(=O)[C@@]1(C)CC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000831090101 601891862 /nfs/dbraw/zinc/89/18/62/601891862.db2.gz VZZHETZVBZPXKK-IBGZPJMESA-N 0 1 343.379 2.629 20 10 EFCDMN COc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1-c1nn[nH]n1 ZINC000826202825 607567943 /nfs/dbraw/zinc/56/79/43/607567943.db2.gz OSJXSJQFVMUZBZ-UHFFFAOYSA-N 0 1 345.790 2.524 20 10 EFCDMN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1(C(=O)[O-])CCCCC1 ZINC000833695903 604643035 /nfs/dbraw/zinc/64/30/35/604643035.db2.gz YKQRSOBSCFPFSX-UHFFFAOYSA-N 0 1 332.444 2.743 20 10 EFCDMN C[N@H+]1CC[C@@H]2[C@H](CCCN2c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000830929033 604783481 /nfs/dbraw/zinc/78/34/81/604783481.db2.gz VOZMFWFGBQHQNY-IPKOWEFYSA-N 0 1 345.399 2.613 20 10 EFCDMN CN(C)c1ccc(C[N@@H+](Cc2ccc(-c3nnn[n-]3)o2)C2CC2)cc1 ZINC000825879904 608521956 /nfs/dbraw/zinc/52/19/56/608521956.db2.gz SDZANRLNNVGIFV-UHFFFAOYSA-N 0 1 338.415 2.690 20 10 EFCDMN CN(C)c1ccc(C[N@H+](Cc2ccc(-c3nn[n-]n3)o2)C2CC2)cc1 ZINC000825879904 608521962 /nfs/dbraw/zinc/52/19/62/608521962.db2.gz SDZANRLNNVGIFV-UHFFFAOYSA-N 0 1 338.415 2.690 20 10 EFCDMN CN(C)c1ccc(C[N@@H+](Cc2ccc(-c3nn[n-]n3)o2)C2CC2)cc1 ZINC000825879904 608521964 /nfs/dbraw/zinc/52/19/64/608521964.db2.gz SDZANRLNNVGIFV-UHFFFAOYSA-N 0 1 338.415 2.690 20 10 EFCDMN COC(=O)[C@@H]1CC12CC[NH+](Cc1c([O-])ccc3ccncc31)CC2 ZINC000733791545 1265420268 /nfs/dbraw/zinc/42/02/68/1265420268.db2.gz PEHCQWWDTHNLCH-INIZCTEOSA-N 0 1 326.396 2.716 20 10 EFCDMN Fc1cc(CN[C@@H]2CCCn3nccc32)cc(F)c1N1CCOCC1 ZINC000850473111 1250497351 /nfs/dbraw/zinc/49/73/51/1250497351.db2.gz CCELARZRYKLNPF-MRXNPFEDSA-N 0 1 348.397 2.623 20 10 EFCDMN COC(=O)N(C)CC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000850547385 1250529364 /nfs/dbraw/zinc/52/93/64/1250529364.db2.gz FKBVLIRNFDCINY-SECBINFHSA-N 0 1 331.210 2.504 20 10 EFCDMN Cc1cc(C[N@H+]2CCSC[C@@H]2C(=O)[O-])ccc1N1CCCCC1 ZINC000851705205 1251213028 /nfs/dbraw/zinc/21/30/28/1251213028.db2.gz DSOYGMIRQMDCCK-QGZVFWFLSA-N 0 1 334.485 2.987 20 10 EFCDMN COc1ccc(N2CCCN(Cc3cc(C)nc(C)n3)CC2)cc1 ZINC000851733359 1251232640 /nfs/dbraw/zinc/23/26/40/1251232640.db2.gz SLGLQKKDIMRSBR-UHFFFAOYSA-N 0 1 326.444 2.814 20 10 EFCDMN Fc1cc(CNCc2cnn(C3CCC3)c2)ccc1N1CCOCC1 ZINC000921552015 1257252151 /nfs/dbraw/zinc/25/21/51/1257252151.db2.gz JDKQLUAAGWFEGS-UHFFFAOYSA-N 0 1 344.434 2.874 20 10 EFCDMN CNC(=O)[C@H](C)C[N@@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708147309 1259679201 /nfs/dbraw/zinc/67/92/01/1259679201.db2.gz XRUQPQSHGJEGDJ-MRVPVSSYSA-N 0 1 349.656 2.622 20 10 EFCDMN CCCCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(O)c(O)c1 ZINC001272903348 1261296362 /nfs/dbraw/zinc/29/63/62/1261296362.db2.gz RCBHTNXTKZWAAX-IBGZPJMESA-N 0 1 332.444 2.855 20 10 EFCDMN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2c(F)ccc(F)c2[O-])N1CC(F)F ZINC001273205975 1263260005 /nfs/dbraw/zinc/26/00/05/1263260005.db2.gz GTSXOJHHPOJNEA-CHWSQXEVSA-N 0 1 346.324 2.501 20 10 EFCDMN CC[C@@H](C)N1CC[C@@]2(CC[N@@H+](Cc3c(F)ccc(F)c3[O-])C2)C1=O ZINC001273206941 1263354887 /nfs/dbraw/zinc/35/48/87/1263354887.db2.gz UAUAFRCBELJKFS-KZULUSFZSA-N 0 1 338.398 2.893 20 10 EFCDMN O=C1N(CC(F)F)CC[C@@]12CCC[N@H+]2Cc1c(F)ccc(F)c1[O-] ZINC001273206928 1263355705 /nfs/dbraw/zinc/35/57/05/1263355705.db2.gz SPGJTPJFGSZKSE-INIZCTEOSA-N 0 1 346.324 2.502 20 10 EFCDMN O=C1N(CC(F)F)CC[C@@]12CCC[N@@H+]2Cc1c(F)ccc(F)c1[O-] ZINC001273206928 1263355709 /nfs/dbraw/zinc/35/57/09/1263355709.db2.gz SPGJTPJFGSZKSE-INIZCTEOSA-N 0 1 346.324 2.502 20 10 EFCDMN C[C@H](NC(=O)NCc1cc(N(C)C)ccn1)c1ccc(N(C)C)cc1 ZINC000922053028 1264215238 /nfs/dbraw/zinc/21/52/38/1264215238.db2.gz APXTWENEJHVXKF-AWEZNQCLSA-N 0 1 341.459 2.774 20 10 EFCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@@H](O)COCCOC(C)C)cc1Cl ZINC000824618760 1278225189 /nfs/dbraw/zinc/22/51/89/1278225189.db2.gz ZUEQXVWFRZZHQQ-OAHLLOKOSA-N 0 1 345.867 2.588 20 10 EFCDMN Cc1cc([O-])c(C[N@H+](C)C[C@@H](O)COCCOC(C)C)cc1Cl ZINC000824618760 1278225203 /nfs/dbraw/zinc/22/52/03/1278225203.db2.gz ZUEQXVWFRZZHQQ-OAHLLOKOSA-N 0 1 345.867 2.588 20 10 EFCDMN CN(C)c1ccc(CNCC(=O)N2CCCc3ccccc32)cc1F ZINC000733325723 1265169777 /nfs/dbraw/zinc/16/97/77/1265169777.db2.gz QZAYXQDYOQYVJC-UHFFFAOYSA-N 0 1 341.430 2.961 20 10 EFCDMN Cc1cc(CN[C@H](C)CS(C)(=O)=O)c(C)n1-c1cccc(C)c1 ZINC000733328791 1265170982 /nfs/dbraw/zinc/17/09/82/1265170982.db2.gz CMRWIZXYGZXJQB-CQSZACIVSA-N 0 1 334.485 2.925 20 10 EFCDMN CCCN(Cc1ccccc1O)C(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC000822899957 1265176349 /nfs/dbraw/zinc/17/63/49/1265176349.db2.gz CHBUBWFJFQUPQK-QGZVFWFLSA-N 0 1 342.443 2.934 20 10 EFCDMN CCCN(Cc1ccccc1O)C(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC000822899956 1265176703 /nfs/dbraw/zinc/17/67/03/1265176703.db2.gz CHBUBWFJFQUPQK-KRWDZBQOSA-N 0 1 342.443 2.934 20 10 EFCDMN C[C@@H]1CN(C(=O)C[N@@H+](Cc2ccccc2O)C2CCCC2)C[C@@H](C)O1 ZINC000733613206 1265316903 /nfs/dbraw/zinc/31/69/03/1265316903.db2.gz DMEILGJPYZCLDQ-HZPDHXFCSA-N 0 1 346.471 2.773 20 10 EFCDMN Oc1cc(Br)ccc1CN1CCS[C@H]2COCC[C@H]21 ZINC000824913435 1278341985 /nfs/dbraw/zinc/34/19/85/1278341985.db2.gz SLJKIFQEWLEVDA-OCCSQVGLSA-N 0 1 344.274 2.861 20 10 EFCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000824913435 1278341995 /nfs/dbraw/zinc/34/19/95/1278341995.db2.gz SLJKIFQEWLEVDA-OCCSQVGLSA-N 0 1 344.274 2.861 20 10 EFCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000824913435 1278342005 /nfs/dbraw/zinc/34/20/05/1278342005.db2.gz SLJKIFQEWLEVDA-OCCSQVGLSA-N 0 1 344.274 2.861 20 10 EFCDMN CS(=O)(=O)C[C@@H]1CCCCN1Cc1cc(Cl)c(F)cc1O ZINC000824913999 1278342365 /nfs/dbraw/zinc/34/23/65/1278342365.db2.gz LMTPIWVQMNOUNE-NSHDSACASA-N 0 1 335.828 2.584 20 10 EFCDMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cccc(O)c1O ZINC000186932471 1268238977 /nfs/dbraw/zinc/23/89/77/1268238977.db2.gz SOPBEAQFYNVGIF-UHFFFAOYSA-N 0 1 328.412 2.868 20 10 EFCDMN CC[C@@H]([NH2+]CCN1CCC(O)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000825110135 1278414869 /nfs/dbraw/zinc/41/48/69/1278414869.db2.gz CHNGSLSRJOUBRP-OAHLLOKOSA-N 0 1 346.393 2.908 20 10 EFCDMN [O-]c1ccc(Br)cc1C[N@@H+](CCO)C1CCSCC1 ZINC000825129979 1278422375 /nfs/dbraw/zinc/42/23/75/1278422375.db2.gz JCQOJMXIROITKG-UHFFFAOYSA-N 0 1 346.290 2.845 20 10 EFCDMN [O-]c1ccc(Br)cc1C[N@H+](CCO)C1CCSCC1 ZINC000825129979 1278422379 /nfs/dbraw/zinc/42/23/79/1278422379.db2.gz JCQOJMXIROITKG-UHFFFAOYSA-N 0 1 346.290 2.845 20 10 EFCDMN CCCCN1CC[C@]2(CC[N@@H+](Cc3cc(F)c(F)cc3[O-])C2)C1=O ZINC001273373434 1269121294 /nfs/dbraw/zinc/12/12/94/1269121294.db2.gz BFMKRVLNDJZSQG-SFHVURJKSA-N 0 1 338.398 2.895 20 10 EFCDMN CCOc1cccc(CN(CCO)Cc2c(O)cccc2OC)c1 ZINC000825300115 1278496480 /nfs/dbraw/zinc/49/64/80/1278496480.db2.gz WBILRHAUGWLACN-UHFFFAOYSA-N 0 1 331.412 2.794 20 10 EFCDMN Cc1ccc([C@H](O)C[NH2+]Cc2ccc(Br)cc2[O-])o1 ZINC000825303883 1278498524 /nfs/dbraw/zinc/49/85/24/1278498524.db2.gz NHIIIGHHZVCQPW-CYBMUJFWSA-N 0 1 326.190 2.879 20 10 EFCDMN CCCCNC(=O)NC(=O)CN(C)Cc1ccc(N(CC)CC)cc1 ZINC000741678493 1269654704 /nfs/dbraw/zinc/65/47/04/1269654704.db2.gz RIENZDFYGYCBCW-UHFFFAOYSA-N 0 1 348.491 2.591 20 10 EFCDMN CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000825278236 1278501860 /nfs/dbraw/zinc/50/18/60/1278501860.db2.gz AMZKWCIBBGJXIM-LBPRGKRZSA-N 0 1 346.258 2.935 20 10 EFCDMN CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000825278236 1278501862 /nfs/dbraw/zinc/50/18/62/1278501862.db2.gz AMZKWCIBBGJXIM-LBPRGKRZSA-N 0 1 346.258 2.935 20 10 EFCDMN C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2[O-])CN1C1CC1 ZINC000825353677 1278518942 /nfs/dbraw/zinc/51/89/42/1278518942.db2.gz OUUOKAIHMOFFDA-GWCFXTLKSA-N 0 1 325.250 2.870 20 10 EFCDMN COc1cc(CN(C)[C@@H](C)C[S@](C)=O)c(O)c(C(C)(C)C)c1 ZINC000825504890 1278573828 /nfs/dbraw/zinc/57/38/28/1278573828.db2.gz LMNYSLYEEOLLDP-YTEVENLXSA-N 0 1 327.490 2.897 20 10 EFCDMN COc1cc(CN(C)[C@H](C)C[S@](C)=O)c(O)c(C(C)(C)C)c1 ZINC000825504888 1278574049 /nfs/dbraw/zinc/57/40/49/1278574049.db2.gz LMNYSLYEEOLLDP-IPQOISQHSA-N 0 1 327.490 2.897 20 10 EFCDMN C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000825521945 1278582636 /nfs/dbraw/zinc/58/26/36/1278582636.db2.gz HFCXBYOCJRELRE-GXTWGEPZSA-N 0 1 344.386 2.802 20 10 EFCDMN C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000825521945 1278582642 /nfs/dbraw/zinc/58/26/42/1278582642.db2.gz HFCXBYOCJRELRE-GXTWGEPZSA-N 0 1 344.386 2.802 20 10 EFCDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001137832797 1271381782 /nfs/dbraw/zinc/38/17/82/1271381782.db2.gz IBQWJEOKMUOFAH-OLZOCXBDSA-N 0 1 325.277 2.759 20 10 EFCDMN COC(=O)C12CC(C(=O)NCc3cc(Cl)cc(Cl)c3O)(C1)C2 ZINC000843890865 1278638575 /nfs/dbraw/zinc/63/85/75/1278638575.db2.gz VEIUFTKMGDDJNG-UHFFFAOYSA-N 0 1 344.194 2.659 20 10 EFCDMN CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC001169449177 1272924319 /nfs/dbraw/zinc/92/43/19/1272924319.db2.gz PFMKSATWLYURJN-NSHDSACASA-N 0 1 343.265 2.891 20 10 EFCDMN CS(=O)(=O)C1CCC([NH2+]Cc2cc3ccccc3cc2[O-])CC1 ZINC001169864593 1273214289 /nfs/dbraw/zinc/21/42/89/1273214289.db2.gz UTYZQBDNSOXPSM-UHFFFAOYSA-N 0 1 333.453 2.991 20 10 EFCDMN CC[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1cc(Br)ccc1[O-] ZINC000704304788 1273300160 /nfs/dbraw/zinc/30/01/60/1273300160.db2.gz LUETYFYVSIGWAV-STQMWFEESA-N 0 1 341.249 2.816 20 10 EFCDMN COCCOCCCC[NH2+]Cc1c([O-])cccc1Br ZINC000706829298 1275039665 /nfs/dbraw/zinc/03/96/65/1275039665.db2.gz UVIDMBQHSGNFCE-UHFFFAOYSA-N 0 1 332.238 2.688 20 10 EFCDMN CC(C)(C)OC(=O)NCC[NH2+]Cc1c([O-])cccc1Br ZINC000706852238 1275051850 /nfs/dbraw/zinc/05/18/50/1275051850.db2.gz XXGCGWWSFSMLRY-UHFFFAOYSA-N 0 1 345.237 2.769 20 10 EFCDMN CC1CCN(CC[NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000706871496 1275065402 /nfs/dbraw/zinc/06/54/02/1275065402.db2.gz ARTAXMOMCNTMQC-UHFFFAOYSA-N 0 1 327.266 2.976 20 10 EFCDMN CC(C)CN1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3[O-])CCN2C1=O ZINC000787289764 1275735203 /nfs/dbraw/zinc/73/52/03/1275735203.db2.gz WGXYAXFGQAWEMG-AWEZNQCLSA-N 0 1 337.851 2.623 20 10 EFCDMN CC(C)CN1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])CCN2C1=O ZINC000787289764 1275735208 /nfs/dbraw/zinc/73/52/08/1275735208.db2.gz WGXYAXFGQAWEMG-AWEZNQCLSA-N 0 1 337.851 2.623 20 10 EFCDMN O=[N+]([O-])c1ccn(C2CC[NH+](Cc3c([O-])cccc3Cl)CC2)n1 ZINC000787289748 1275735488 /nfs/dbraw/zinc/73/54/88/1275735488.db2.gz VZQPCRGXZKBTDD-UHFFFAOYSA-N 0 1 336.779 2.987 20 10 EFCDMN C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000787301468 1275749643 /nfs/dbraw/zinc/74/96/43/1275749643.db2.gz CVEBSTNDLNDWPC-LBPRGKRZSA-N 0 1 342.842 2.870 20 10 EFCDMN COC(=O)[C@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])[C@@H]1C ZINC000787422085 1275770587 /nfs/dbraw/zinc/77/05/87/1275770587.db2.gz ZBSDKDUAFXMBQV-SKDRFNHKSA-N 0 1 328.206 2.538 20 10 EFCDMN COC(=O)[C@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])[C@@H]1C ZINC000787422085 1275770592 /nfs/dbraw/zinc/77/05/92/1275770592.db2.gz ZBSDKDUAFXMBQV-SKDRFNHKSA-N 0 1 328.206 2.538 20 10 EFCDMN CCN(CC)c1ccc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1F ZINC000787425314 1275772208 /nfs/dbraw/zinc/77/22/08/1275772208.db2.gz VDFLCEKKHBSILN-HDMKZQKVSA-N 0 1 333.451 2.758 20 10 EFCDMN CCN(CC)c1ccc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1F ZINC000787425309 1275772510 /nfs/dbraw/zinc/77/25/10/1275772510.db2.gz VDFLCEKKHBSILN-DAYGRLMNSA-N 0 1 333.451 2.758 20 10 EFCDMN O=C(CNc1cc(CN2CCCCC2)ccn1)c1ccc(O)c(O)c1 ZINC001170316765 1279011628 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CC(=O)c1cc(Cl)cc(CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1[O-] ZINC000903519295 1312803084 /nfs/dbraw/zinc/80/30/84/1312803084.db2.gz VTQJXDBKZIJBSW-VXGBXAGGSA-N 0 1 336.741 2.570 20 10 EFCDMN Oc1cc2c(cc1CN(Cc1ccco1)C[C@@H]1CCCO1)OCO2 ZINC000092437278 1290740369 /nfs/dbraw/zinc/74/03/69/1290740369.db2.gz WTZLBRIYTYSQBE-HNNXBMFYSA-N 0 1 331.368 2.895 20 10 EFCDMN CSCC[N@H+](C)Cc1ccc(I)cc1[O-] ZINC001232978065 1312823968 /nfs/dbraw/zinc/82/39/68/1312823968.db2.gz WASADSNUOPSGQW-UHFFFAOYSA-N 0 1 337.226 2.792 20 10 EFCDMN CSCC[N@@H+](C)Cc1ccc(I)cc1[O-] ZINC001232978065 1312823970 /nfs/dbraw/zinc/82/39/70/1312823970.db2.gz WASADSNUOPSGQW-UHFFFAOYSA-N 0 1 337.226 2.792 20 10 EFCDMN COc1cccc([C@@H](N)C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000876728201 1290992086 /nfs/dbraw/zinc/99/20/86/1290992086.db2.gz IDJYICSAIDGBDX-LJQANCHMSA-N 0 1 339.439 2.612 20 10 EFCDMN CN1CCN(c2ccc(CNC(=O)NCC3CCCCC3)cc2)CC1 ZINC001186886820 1291033992 /nfs/dbraw/zinc/03/39/92/1291033992.db2.gz JVOSFVBWFMBPAJ-UHFFFAOYSA-N 0 1 344.503 2.818 20 10 EFCDMN Nc1c(F)cccc1CNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000876965980 1291090391 /nfs/dbraw/zinc/09/03/91/1291090391.db2.gz ODVAZRHALGUSTD-UHFFFAOYSA-N 0 1 347.409 2.798 20 10 EFCDMN CN(Cc1ccc(-n2ccnc2)cc1)Cc1cc(O)c(O)c(O)c1 ZINC001233015665 1312832525 /nfs/dbraw/zinc/83/25/25/1312832525.db2.gz WGHHPUHKWVLVNN-UHFFFAOYSA-N 0 1 325.368 2.621 20 10 EFCDMN Oc1cc(CN2CCC3(CC2)OCCc2ccccc23)cc(O)c1O ZINC001233017099 1312833245 /nfs/dbraw/zinc/83/32/45/1312833245.db2.gz RNKDYWAVTSKFIM-UHFFFAOYSA-N 0 1 341.407 2.867 20 10 EFCDMN COC1(c2ccccc2)CCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233017672 1312833562 /nfs/dbraw/zinc/83/35/62/1312833562.db2.gz ZAKCIUSPKFGHQH-UHFFFAOYSA-N 0 1 329.396 2.941 20 10 EFCDMN C[C@H]1CCC[N@@H+](Cc2c([O-])cc(Br)cc2F)[C@H]1CO ZINC001233027055 1312835001 /nfs/dbraw/zinc/83/50/01/1312835001.db2.gz KUYVAIMRWPZKNK-ZANVPECISA-N 0 1 332.213 2.887 20 10 EFCDMN C[C@@H]1CCC[N@@H+](Cc2c([O-])cc(Br)cc2F)[C@H]1CO ZINC001233027052 1312835580 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[O-]c1cc(Br)cc(F)c1CN1CCC[N@H+]2CCC[C@H]2C1 ZINC001233031841 1312837245 /nfs/dbraw/zinc/83/72/45/1312837245.db2.gz OMCFTDSMVWLKEV-LBPRGKRZSA-N 0 1 343.240 2.964 20 10 EFCDMN Oc1cc(Br)cc(F)c1CN1CC(N2CC[C@H](F)C2)C1 ZINC001233031506 1312837661 /nfs/dbraw/zinc/83/76/61/1312837661.db2.gz DUINSSRXFUVXEU-JTQLQIEISA-N 0 1 347.203 2.522 20 10 EFCDMN COc1ccc(-n2c(C)cc(C(=O)N3CCNC[C@@H]3C)c2C)cc1 ZINC000126462888 1291191151 /nfs/dbraw/zinc/19/11/51/1291191151.db2.gz NTFKGEGJCWGGHT-AWEZNQCLSA-N 0 1 327.428 2.537 20 10 EFCDMN OC[C@@H]1CCC[C@H](C(F)(F)F)N1Cc1ccc(F)c(F)c1O ZINC001233074345 1312849599 /nfs/dbraw/zinc/84/95/99/1312849599.db2.gz NXEWVMYSWRPSOY-GXSJLCMTSA-N 0 1 325.277 2.948 20 10 EFCDMN CC(C)C(=O)N1CCC[C@]12CC[N@@H+](Cc1ccc(F)c(F)c1[O-])C2 ZINC001233076949 1312850216 /nfs/dbraw/zinc/85/02/16/1312850216.db2.gz ILVLXDCSHIECDU-GOSISDBHSA-N 0 1 338.398 2.893 20 10 EFCDMN CN1c2ccccc2[C@]2(CC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)C1=O ZINC001233076593 1312850243 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CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000923473273 957124111 /nfs/dbraw/zinc/12/41/11/957124111.db2.gz SLKIQFWHIYVNJT-IBGZPJMESA-N 0 1 332.444 2.600 20 10 EFCDMN O=C([O-])CC[N@@H+](Cc1ccc(N2CCCC2)cc1)C1CCOCC1 ZINC001326991517 957335499 /nfs/dbraw/zinc/33/54/99/957335499.db2.gz RLTXUXMSMFSXGA-UHFFFAOYSA-N 0 1 332.444 2.743 20 10 EFCDMN COc1cc(C)cc(C[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1O ZINC001594054470 958017517 /nfs/dbraw/zinc/01/75/17/958017517.db2.gz LUCHVPKSGRXHPV-INIZCTEOSA-N 0 1 327.380 2.893 20 10 EFCDMN CCOc1ccc(N2CC[NH+](Cc3ccc(C(=O)[O-])o3)CC2)cc1 ZINC001140949334 960508125 /nfs/dbraw/zinc/50/81/25/960508125.db2.gz ZDFOMRITOPCDKG-UHFFFAOYSA-N 0 1 330.384 2.699 20 10 EFCDMN O=C([O-])[C@@H]1CCCCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000236443960 960609998 /nfs/dbraw/zinc/60/99/98/960609998.db2.gz MPFZFAHXCLVRDI-LBPRGKRZSA-N 0 1 328.206 2.984 20 10 EFCDMN O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(Br)ccc1O ZINC000236446682 960613410 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CCN(CC)c1ccc(C[N@@H+](CCC(=O)[O-])C2CCOCC2)cc1 ZINC000843040526 979330710 /nfs/dbraw/zinc/33/07/10/979330710.db2.gz JOVGIDOWLNNJGN-UHFFFAOYSA-N 0 1 334.460 2.989 20 10 EFCDMN O=C([O-])[C@@H]1C[N@H+](Cc2cccc(Br)c2O)C[C@H]1C1CC1 ZINC000904430921 981085194 /nfs/dbraw/zinc/08/51/94/981085194.db2.gz ULPVCXBDOQONJW-NWDGAFQWSA-N 0 1 340.217 2.697 20 10 EFCDMN O=C([O-])[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)C[C@H]1C1CC1 ZINC000904430921 981085199 /nfs/dbraw/zinc/08/51/99/981085199.db2.gz ULPVCXBDOQONJW-NWDGAFQWSA-N 0 1 340.217 2.697 20 10 EFCDMN CCOCCC[N@H+](Cc1ccc(Cl)cc1O)C[C@H](C)C(=O)[O-] ZINC001596915204 985940930 /nfs/dbraw/zinc/94/09/30/985940930.db2.gz URTZLYQWVAKWAJ-LBPRGKRZSA-N 0 1 329.824 2.995 20 10 EFCDMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1cc(F)ccc1O ZINC001594571107 986404555 /nfs/dbraw/zinc/40/45/55/986404555.db2.gz YQPYPPGQCFRGNM-CYBMUJFWSA-N 0 1 344.386 2.940 20 10 EFCDMN CN(C)c1ccc(/C=C/C[NH2+]C(C)(C)c2nocc2C(=O)[O-])cc1 ZINC001598314418 991296742 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CN(C)c1ccc(CNC(=O)CNC2(c3cccc(F)c3)CC2)cc1 ZINC000298879629 241162088 /nfs/dbraw/zinc/16/20/88/241162088.db2.gz KAQSBFACLFUGKW-UHFFFAOYSA-N 0 1 341.430 2.787 20 10 EFCDMN CCN1CCN(c2ccc(CNc3cc(C)ncn3)cc2F)CC1 ZINC000301227198 241186123 /nfs/dbraw/zinc/18/61/23/241186123.db2.gz CLACIBWTQIWKSG-UHFFFAOYSA-N 0 1 329.423 2.678 20 10 EFCDMN CCN1CCN(c2ccc(CNc3ncc(C)c(C)n3)cc2F)CC1 ZINC000301875231 241188862 /nfs/dbraw/zinc/18/88/62/241188862.db2.gz JXLRDMBUXAJLQO-UHFFFAOYSA-N 0 1 343.450 2.987 20 10 EFCDMN C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1cc(Br)ccc1[O-] ZINC000185028593 296147356 /nfs/dbraw/zinc/14/73/56/296147356.db2.gz FDNFLOTZUKQSPM-NWDGAFQWSA-N 0 1 343.265 2.526 20 10 EFCDMN CC[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@@H](O)C(F)(F)F ZINC000189869897 285095143 /nfs/dbraw/zinc/09/51/43/285095143.db2.gz DMQJLPNFCUBJIZ-SNVBAGLBSA-N 0 1 342.701 2.699 20 10 EFCDMN O=C1N[C@H]2CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]2CO1 ZINC000281160525 296397005 /nfs/dbraw/zinc/39/70/05/296397005.db2.gz GDOFYJWWOSTACZ-SKDRFNHKSA-N 0 1 331.199 2.629 20 10 EFCDMN COc1ccc(-n2c(C)cc(C(=O)N[C@H](C)c3nnc[nH]3)c2C)cc1 ZINC000174542722 533209588 /nfs/dbraw/zinc/20/95/88/533209588.db2.gz FEESMJFSWKDWDT-GFCCVEGCSA-N 0 1 339.399 2.712 20 10 EFCDMN COC(=O)C1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000159176517 533294167 /nfs/dbraw/zinc/29/41/67/533294167.db2.gz WPBPNLDAKIQBRX-UHFFFAOYSA-N 0 1 328.206 2.540 20 10 EFCDMN C[C@@H](NCCS(C)(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000178134769 533401864 /nfs/dbraw/zinc/40/18/64/533401864.db2.gz ZQEJDCDPVSPLHS-CYBMUJFWSA-N 0 1 328.453 2.511 20 10 EFCDMN C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1ccc(Br)cc1[O-] ZINC000185029020 287048679 /nfs/dbraw/zinc/04/86/79/287048679.db2.gz ORYMOXZWQBGUNB-NWDGAFQWSA-N 0 1 343.265 2.526 20 10 EFCDMN C[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc2ccccc2c1[O-] ZINC000273621445 278368925 /nfs/dbraw/zinc/36/89/25/278368925.db2.gz ZDTHUWOUIHBWGS-UKRRQHHQSA-N 0 1 348.468 2.620 20 10 EFCDMN C[C@@H](CN1CCCC1=O)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000185109613 473330269 /nfs/dbraw/zinc/33/02/69/473330269.db2.gz JBVLNMODFJSOFG-QWRGUYRKSA-N 0 1 341.249 2.816 20 10 EFCDMN CC[C@@H]([NH2+]CC(C)(C)C(=O)NC)c1cc(Br)ccc1[O-] ZINC000185214208 473364605 /nfs/dbraw/zinc/36/46/05/473364605.db2.gz MWMBZZKCTGFFTL-GFCCVEGCSA-N 0 1 343.265 2.968 20 10 EFCDMN [O-]c1ccc2ccncc2c1C[NH+]1CCN(c2ccccc2O)CC1 ZINC000021998516 472009270 /nfs/dbraw/zinc/00/92/70/472009270.db2.gz FYNKOXYBQLQOLF-UHFFFAOYSA-N 0 1 335.407 2.968 20 10 EFCDMN CCCc1[nH]nc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1[N+](=O)[O-] ZINC000068524326 472204088 /nfs/dbraw/zinc/20/40/88/472204088.db2.gz YCLQWIIHBSLUBF-UHFFFAOYSA-N 0 1 345.403 2.609 20 10 EFCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCc1cn[nH]c1C ZINC000045540164 472422585 /nfs/dbraw/zinc/42/25/85/472422585.db2.gz JYMPGGAGDVWYSF-UHFFFAOYSA-N 0 1 343.475 2.948 20 10 EFCDMN CN(Cc1cnc(N2CCOCC2)s1)Cc1ccc(N(C)C)cc1 ZINC000155183506 472518637 /nfs/dbraw/zinc/51/86/37/472518637.db2.gz QLIXWJPGYYYFFJ-UHFFFAOYSA-N 0 1 346.500 2.678 20 10 EFCDMN CCN(CC)c1ccc(C[N@H+]2CCCN(C(=O)C3CC3)CC2)cc1 ZINC000119046609 472521458 /nfs/dbraw/zinc/52/14/58/472521458.db2.gz MATGOCIPXNLNKO-UHFFFAOYSA-N 0 1 329.488 2.977 20 10 EFCDMN CCN(CC)c1ccc(CN2CCCN(C(=O)C3CC3)CC2)cc1 ZINC000119046609 472521462 /nfs/dbraw/zinc/52/14/62/472521462.db2.gz MATGOCIPXNLNKO-UHFFFAOYSA-N 0 1 329.488 2.977 20 10 EFCDMN CC[C@H]([NH2+]CCNC(=O)C1CC1)c1cc(Br)ccc1[O-] ZINC000119121963 472528338 /nfs/dbraw/zinc/52/83/38/472528338.db2.gz RCBSMOMCWUJVJX-ZDUSSCGKSA-N 0 1 341.249 2.722 20 10 EFCDMN COc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)ccn1 ZINC000131694201 472686256 /nfs/dbraw/zinc/68/62/56/472686256.db2.gz MUIQMRSNLMFMPF-AWEZNQCLSA-N 0 1 345.418 2.917 20 10 EFCDMN COCCCOCC[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000091102283 472706706 /nfs/dbraw/zinc/70/67/06/472706706.db2.gz JPWWXGCINYKIPR-UHFFFAOYSA-N 0 1 329.824 2.733 20 10 EFCDMN COCCCOCC[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000091102283 472706711 /nfs/dbraw/zinc/70/67/11/472706711.db2.gz JPWWXGCINYKIPR-UHFFFAOYSA-N 0 1 329.824 2.733 20 10 EFCDMN CC[C@H]([NH2+]CC[C@@H](O)COC)c1cc(Br)ccc1[O-] ZINC000156986183 472772934 /nfs/dbraw/zinc/77/29/34/472772934.db2.gz KJBKYNWAQMGPNQ-YPMHNXCESA-N 0 1 332.238 2.593 20 10 EFCDMN COc1ccc(OC)c2c1CN(Cc1cc(C)ccc1O)C[C@@H]2O ZINC000121116466 472800645 /nfs/dbraw/zinc/80/06/45/472800645.db2.gz AJNNKMDKSXSESY-INIZCTEOSA-N 0 1 329.396 2.767 20 10 EFCDMN Oc1ccc(Br)cc1CN1CCS[C@@H]2COCC[C@@H]21 ZINC000091855641 472816200 /nfs/dbraw/zinc/81/62/00/472816200.db2.gz VUDVMLNADFPHMY-GXTWGEPZSA-N 0 1 344.274 2.861 20 10 EFCDMN COc1cccc(CNC(=O)NC[C@H](c2ccsc2)N(C)C)c1O ZINC000073658768 472847070 /nfs/dbraw/zinc/84/70/70/472847070.db2.gz RUBSZUYHEJHAGA-CQSZACIVSA-N 0 1 349.456 2.564 20 10 EFCDMN COCCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134263580 472889191 /nfs/dbraw/zinc/88/91/91/472889191.db2.gz DKOSFPMYZXFYPI-HNNXBMFYSA-N 0 1 340.851 2.553 20 10 EFCDMN COCCOC1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000093339284 473088217 /nfs/dbraw/zinc/08/82/17/473088217.db2.gz OWMGXXAITBGXDH-UHFFFAOYSA-N 0 1 344.249 2.782 20 10 EFCDMN Cc1cc(C(=O)N2CCN(C(C)C)CC2)c(C)n1-c1ccccn1 ZINC000066484470 473103924 /nfs/dbraw/zinc/10/39/24/473103924.db2.gz GNSAQOBGFOEGAY-UHFFFAOYSA-N 0 1 326.444 2.655 20 10 EFCDMN CC[C@@H](C)NC(=O)[C@@H](C)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466700 473110097 /nfs/dbraw/zinc/11/00/97/473110097.db2.gz PGZHNOOMKPZYLX-HZPDHXFCSA-N 0 1 333.476 2.511 20 10 EFCDMN CCCCNC(=O)[C@H](C)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466717 473111633 /nfs/dbraw/zinc/11/16/33/473111633.db2.gz CWDKKMBRFZFRJS-INIZCTEOSA-N 0 1 333.476 2.512 20 10 EFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1[O-] ZINC000093505786 473115167 /nfs/dbraw/zinc/11/51/67/473115167.db2.gz HOJBIRAAGCJUIJ-QMTHXVAHSA-N 0 1 326.780 2.955 20 10 EFCDMN COc1ccc(OC)c(NC(=O)[C@@H](C)N(C)Cc2ccccc2O)c1 ZINC000109770258 473119465 /nfs/dbraw/zinc/11/94/65/473119465.db2.gz SWELMVLFCZHCTF-CYBMUJFWSA-N 0 1 344.411 2.868 20 10 EFCDMN C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(C)Cc1ccccc1O ZINC000109770860 473119848 /nfs/dbraw/zinc/11/98/48/473119848.db2.gz ZUPLWGFUAGAUME-ZDUSSCGKSA-N 0 1 342.395 2.622 20 10 EFCDMN COc1cccc(CNC(=O)[C@H](C)N(C)Cc2ccccc2O)c1 ZINC000109769012 473120796 /nfs/dbraw/zinc/12/07/96/473120796.db2.gz NZYNNITVBBILPR-AWEZNQCLSA-N 0 1 328.412 2.538 20 10 EFCDMN CC[N@@H+](C)C[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000093770189 473143272 /nfs/dbraw/zinc/14/32/72/473143272.db2.gz LNEUGLAHCQUWMU-NSHDSACASA-N 0 1 327.812 2.727 20 10 EFCDMN CCCOc1cccc(CNC(=O)CN(C)Cc2ccccc2O)c1 ZINC000111235814 473198493 /nfs/dbraw/zinc/19/84/93/473198493.db2.gz GBPKHTKNGSOXEF-UHFFFAOYSA-N 0 1 342.439 2.929 20 10 EFCDMN COCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000185467928 473434172 /nfs/dbraw/zinc/43/41/72/473434172.db2.gz RPHAUNKKYHPQMM-YGRLFVJLSA-N 0 1 332.238 2.593 20 10 EFCDMN Oc1cc(F)cc(CNCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000185472940 473435731 /nfs/dbraw/zinc/43/57/31/473435731.db2.gz UKQAIDOYUWUDEB-UHFFFAOYSA-N 0 1 334.366 2.797 20 10 EFCDMN Oc1cc(F)cc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000185488105 473440355 /nfs/dbraw/zinc/44/03/55/473440355.db2.gz AGESLGMDPNJHDP-UHFFFAOYSA-N 0 1 348.393 2.921 20 10 EFCDMN C[C@H]([NH2+]C[C@]1(O)CCSC1)c1cc(Br)ccc1[O-] ZINC000185638231 473475144 /nfs/dbraw/zinc/47/51/44/473475144.db2.gz IUFCXKIAXLCJPS-TVQRCGJNSA-N 0 1 332.263 2.673 20 10 EFCDMN Cn1cc(N2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)cn1 ZINC000126049704 473482606 /nfs/dbraw/zinc/48/26/06/473482606.db2.gz VTMZINPSCMDLPT-UHFFFAOYSA-N 0 1 339.487 2.733 20 10 EFCDMN C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000185673000 473485793 /nfs/dbraw/zinc/48/57/93/473485793.db2.gz CVYSVSYSTVMFTB-MDZLAQPJSA-N 0 1 344.249 2.999 20 10 EFCDMN CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-])N1CCN(C)CC1 ZINC000191197437 473504491 /nfs/dbraw/zinc/50/44/91/473504491.db2.gz WQKSSYUWGWVBTI-CZUORRHYSA-N 0 1 341.446 2.593 20 10 EFCDMN Cc1nn(C)cc1[C@@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000178536024 473529510 /nfs/dbraw/zinc/52/95/10/473529510.db2.gz XVQPZHAGNPKRKA-CYBMUJFWSA-N 0 1 346.450 2.680 20 10 EFCDMN C[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(Cl)ccc1[O-] ZINC000186081985 473586807 /nfs/dbraw/zinc/58/68/07/473586807.db2.gz WCACEHRCBFYRKM-FZMZJTMJSA-N 0 1 348.834 2.625 20 10 EFCDMN C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc(Br)cc1[O-] ZINC000186089206 473588584 /nfs/dbraw/zinc/58/85/84/473588584.db2.gz FDMSXKMRKIEOQU-MWLCHTKSSA-N 0 1 339.233 2.569 20 10 EFCDMN CC[C@@H]([NH2+]C[C@](C)(O)CCOC)c1cc(Br)ccc1[O-] ZINC000186195911 473612726 /nfs/dbraw/zinc/61/27/26/473612726.db2.gz QCKYKASSGFVVFY-UKRRQHHQSA-N 0 1 346.265 2.983 20 10 EFCDMN CCN(CC)c1ccc(CN2CCC(N3CCNC3=O)CC2)cc1F ZINC000127600265 473630817 /nfs/dbraw/zinc/63/08/17/473630817.db2.gz KWSIXUXSAVSSPQ-UHFFFAOYSA-N 0 1 348.466 2.662 20 10 EFCDMN C[C@@H](NCCS(=O)(=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000154122317 473668452 /nfs/dbraw/zinc/66/84/52/473668452.db2.gz VDXHKSCVSOSWAN-OAHLLOKOSA-N 0 1 332.469 2.877 20 10 EFCDMN CCCC[N@@H+](Cc1cccc(Cl)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000179567975 473695785 /nfs/dbraw/zinc/69/57/85/473695785.db2.gz BUEBAWCHXQZEMC-ZDUSSCGKSA-N 0 1 331.865 2.835 20 10 EFCDMN COc1ccc(O)c(CN2CCN(c3ccc(Cl)cn3)CC2)c1 ZINC000179679912 473707113 /nfs/dbraw/zinc/70/71/13/473707113.db2.gz NDBKZDUJNNQATG-UHFFFAOYSA-N 0 1 333.819 2.771 20 10 EFCDMN Oc1ccc(F)cc1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000179892386 473749412 /nfs/dbraw/zinc/74/94/12/473749412.db2.gz YENBGZQVEOFMMI-ZDUSSCGKSA-N 0 1 326.375 2.954 20 10 EFCDMN CC[C@@H]([NH2+]CC(=O)N(C)CC)c1cc(Br)ccc1[O-] ZINC000186804706 473759679 /nfs/dbraw/zinc/75/96/79/473759679.db2.gz VFVRUTSUYNVURD-GFCCVEGCSA-N 0 1 329.238 2.674 20 10 EFCDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1[N+](=O)[O-] ZINC000269380859 473794261 /nfs/dbraw/zinc/79/42/61/473794261.db2.gz OYKYJWDUSIBLLI-UHFFFAOYSA-N 0 1 345.403 2.780 20 10 EFCDMN COCCOCCOCCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000274707794 473928823 /nfs/dbraw/zinc/92/88/23/473928823.db2.gz ZQBIKHUEVURCBE-CYBMUJFWSA-N 0 1 331.840 2.766 20 10 EFCDMN COc1ccc(O)c(CN2CCN(c3ccc(OC)c(F)c3)CC2)c1 ZINC000180706037 473945815 /nfs/dbraw/zinc/94/58/15/473945815.db2.gz ITSOUZORORKLMZ-UHFFFAOYSA-N 0 1 346.402 2.871 20 10 EFCDMN COc1cc(Cl)cc(CN[C@@]2(CO)CCOc3ccccc32)c1O ZINC000282167565 473968899 /nfs/dbraw/zinc/96/88/99/473968899.db2.gz DUGUKJQPUDOJRA-GOSISDBHSA-N 0 1 349.814 2.814 20 10 EFCDMN c1nnc([C@@H](NCc2ccc(N3CCOCC3)cc2)c2ccccc2)[nH]1 ZINC000274857460 473990485 /nfs/dbraw/zinc/99/04/85/473990485.db2.gz QZHBQJWDFNCELI-IBGZPJMESA-N 0 1 349.438 2.521 20 10 EFCDMN CCOc1cccc(CN[C@@]2(CO)CCOc3ccccc32)c1O ZINC000282397388 474049923 /nfs/dbraw/zinc/04/99/23/474049923.db2.gz PJFXLMIFNXVFHB-LJQANCHMSA-N 0 1 329.396 2.551 20 10 EFCDMN c1cc(CNCc2ccc3c(c2)CCO3)cc(OC2CCOCC2)n1 ZINC000264999416 474164395 /nfs/dbraw/zinc/16/43/95/474164395.db2.gz ZHXKOEIFTRMWMT-UHFFFAOYSA-N 0 1 340.423 2.864 20 10 EFCDMN CN(C)c1ccc(CN[C@@H]2CCN(Cc3ccccc3)C2=O)cc1F ZINC000265001160 474164501 /nfs/dbraw/zinc/16/45/01/474164501.db2.gz ZSRAOTXMQZRYQG-GOSISDBHSA-N 0 1 341.430 2.782 20 10 EFCDMN CCOc1cccc(CN(CCNC(C)=O)Cc2ccsc2)c1O ZINC000282922518 474242913 /nfs/dbraw/zinc/24/29/13/474242913.db2.gz FEGPATVJQOBNRE-UHFFFAOYSA-N 0 1 348.468 2.991 20 10 EFCDMN COc1cccc(CNCc2cc(OC)c(OC)cc2[N+](=O)[O-])c1O ZINC000289512274 474302322 /nfs/dbraw/zinc/30/23/22/474302322.db2.gz UVRGOENJCXGFFW-UHFFFAOYSA-N 0 1 348.355 2.616 20 10 EFCDMN CC(C)N(CC(=O)NCc1cccnc1)Cc1ccc(N(C)C)cc1 ZINC000265912051 474382555 /nfs/dbraw/zinc/38/25/55/474382555.db2.gz KMEQQNKTOXJPHJ-UHFFFAOYSA-N 0 1 340.471 2.674 20 10 EFCDMN COc1cc(N2CCN([C@@H]3C=CCCC3)CC2)cc(OC)c1OC ZINC000183700269 474415756 /nfs/dbraw/zinc/41/57/56/474415756.db2.gz WYTRAPIGVPCDHL-OAHLLOKOSA-N 0 1 332.444 2.943 20 10 EFCDMN Cn1ccc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000266171563 474422943 /nfs/dbraw/zinc/42/29/43/474422943.db2.gz RJOXGIXGTLLINO-CQSZACIVSA-N 0 1 336.386 2.780 20 10 EFCDMN O=C1COc2ccccc2N1CCC[NH2+]Cc1c([O-])cccc1Cl ZINC000266194845 474424404 /nfs/dbraw/zinc/42/44/04/474424404.db2.gz ZSWLEMHKBYESAD-UHFFFAOYSA-N 0 1 346.814 2.951 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1[O-] ZINC000183892278 474443276 /nfs/dbraw/zinc/44/32/76/474443276.db2.gz MRARCIJGHKGDPX-CQSZACIVSA-N 0 1 337.391 2.709 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1[O-] ZINC000183892278 474443282 /nfs/dbraw/zinc/44/32/82/474443282.db2.gz MRARCIJGHKGDPX-CQSZACIVSA-N 0 1 337.391 2.709 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000289987217 474517246 /nfs/dbraw/zinc/51/72/46/474517246.db2.gz ZZTWCBJUZKUJHN-GXTWGEPZSA-N 0 1 338.404 2.825 20 10 EFCDMN Cc1n[nH]c(CCNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)n1 ZINC000266935908 474537773 /nfs/dbraw/zinc/53/77/73/474537773.db2.gz AOLYJFHVCWHNNT-UHFFFAOYSA-N 0 1 337.427 2.802 20 10 EFCDMN CCn1cc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000271467706 474560209 /nfs/dbraw/zinc/56/02/09/474560209.db2.gz IMTNFMXSKHKPOY-AWEZNQCLSA-N 0 1 332.423 2.730 20 10 EFCDMN COCCOCC[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000290169291 474560273 /nfs/dbraw/zinc/56/02/73/474560273.db2.gz MSRYDWJNMVUSPJ-UHFFFAOYSA-N 0 1 334.382 2.866 20 10 EFCDMN CCC[C@@]1(CO)CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000290218177 474561498 /nfs/dbraw/zinc/56/14/98/474561498.db2.gz RISMQARRXIAPAR-OAHLLOKOSA-N 0 1 328.796 2.938 20 10 EFCDMN COC(=O)C[C@](C)(NCc1ccc(OC)c(C)c1)c1ccncc1 ZINC000276496136 474563942 /nfs/dbraw/zinc/56/39/42/474563942.db2.gz WQIAQCJGFDMTTI-IBGZPJMESA-N 0 1 328.412 2.967 20 10 EFCDMN C[C@@H]1CN(c2ccc(NC(=O)c3c(F)ccc(O)c3O)cc2)CCO1 ZINC000276517332 474564572 /nfs/dbraw/zinc/56/45/72/474564572.db2.gz FUPGBRKLBYPKFN-LLVKDONJSA-N 0 1 346.358 2.714 20 10 EFCDMN Cc1cc(N2CCOCC2)ccc1NC(=O)c1c(F)ccc(O)c1O ZINC000276542912 474564697 /nfs/dbraw/zinc/56/46/97/474564697.db2.gz GMWAMEBKRXTTPD-UHFFFAOYSA-N 0 1 346.358 2.634 20 10 EFCDMN CC(C)CC[NH+]1CCC(CNC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000276594685 474565808 /nfs/dbraw/zinc/56/58/08/474565808.db2.gz NORKADVNOHJKRF-UHFFFAOYSA-N 0 1 338.423 2.725 20 10 EFCDMN O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1c(F)ccc(O)c1[O-] ZINC000276769539 474570566 /nfs/dbraw/zinc/57/05/66/474570566.db2.gz YDGCCZPJWPWKBG-HNNXBMFYSA-N 0 1 344.386 2.804 20 10 EFCDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C=Cc2ccc(O)c(O)c2)n[nH]1 ZINC000277149705 474579296 /nfs/dbraw/zinc/57/92/96/474579296.db2.gz WCJVANNNMVXHMY-AQKAQLFCSA-N 0 1 330.388 2.620 20 10 EFCDMN CC[C@H](C)c1nc([C@H](C)NC(=O)C=Cc2ccc(O)c(O)c2)n[nH]1 ZINC000277149712 474579681 /nfs/dbraw/zinc/57/96/81/474579681.db2.gz WCJVANNNMVXHMY-SIPGATMPSA-N 0 1 330.388 2.620 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)CC(C)(F)F)cc2F)CC1 ZINC000277288042 474582093 /nfs/dbraw/zinc/58/20/93/474582093.db2.gz UQBKAJSCKJVURA-UHFFFAOYSA-N 0 1 343.393 2.629 20 10 EFCDMN COc1ccc([C@H](C)NCC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000271689718 474586686 /nfs/dbraw/zinc/58/66/86/474586686.db2.gz QNDPZIZUCXVRFB-HNNXBMFYSA-N 0 1 341.455 2.728 20 10 EFCDMN CCOCC[C@H](O)C[N@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000277770762 474595600 /nfs/dbraw/zinc/59/56/00/474595600.db2.gz RCHRXJNKQMTULP-AWEZNQCLSA-N 0 1 346.265 2.764 20 10 EFCDMN CCOCC[C@H](O)C[N@@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000277770762 474595605 /nfs/dbraw/zinc/59/56/05/474595605.db2.gz RCHRXJNKQMTULP-AWEZNQCLSA-N 0 1 346.265 2.764 20 10 EFCDMN COc1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)nc1 ZINC000271926486 474598346 /nfs/dbraw/zinc/59/83/46/474598346.db2.gz LKYOXZQRSJTGDP-GOSISDBHSA-N 0 1 328.412 2.977 20 10 EFCDMN COc1c([O-])c(C[N@@H+]2CCC[C@H]2c2cccn2C)ccc1[N+](=O)[O-] ZINC000278229451 474603194 /nfs/dbraw/zinc/60/31/94/474603194.db2.gz MNAOYRJVHDRKNY-AWEZNQCLSA-N 0 1 331.372 2.985 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CCC[C@H]2c2cccn2C)ccc1[N+](=O)[O-] ZINC000278229451 474603198 /nfs/dbraw/zinc/60/31/98/474603198.db2.gz MNAOYRJVHDRKNY-AWEZNQCLSA-N 0 1 331.372 2.985 20 10 EFCDMN COc1c([O-])c(C[N@@H+](C)[C@@H](CCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278210007 474604087 /nfs/dbraw/zinc/60/40/87/474604087.db2.gz KFLKESJZZGOJBU-HNNXBMFYSA-N 0 1 346.383 2.865 20 10 EFCDMN COc1ccc(O)c(CN[C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c1 ZINC000278380355 474627527 /nfs/dbraw/zinc/62/75/27/474627527.db2.gz AQQVQKPYYSQMGY-LBPRGKRZSA-N 0 1 339.399 2.740 20 10 EFCDMN COC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)cc(C(C)=O)c1[O-])CC2 ZINC000267469668 474672277 /nfs/dbraw/zinc/67/22/77/474672277.db2.gz WZLVLFHFEMNDOV-HNNXBMFYSA-N 0 1 335.375 2.509 20 10 EFCDMN O=C1N=C(N2CCCCC2)S/C1=C\c1cc(O)ccc1[N+](=O)[O-] ZINC000267498990 474672409 /nfs/dbraw/zinc/67/24/09/474672409.db2.gz JSDSVBYJQDOZQM-LCYFTJDESA-N 0 1 333.369 2.757 20 10 EFCDMN CCCOc1ccc(CN2CCCC[C@@H](S(C)(=O)=O)C2)c(O)c1 ZINC000278674427 474769495 /nfs/dbraw/zinc/76/94/95/474769495.db2.gz LTZWCTCYSIVLAU-MRXNPFEDSA-N 0 1 341.473 2.580 20 10 EFCDMN COC[C@H]([NH2+][C@H](C)c1cc(Br)ccc1[O-])[C@H]1CCCO1 ZINC000278701132 474782817 /nfs/dbraw/zinc/78/28/17/474782817.db2.gz HLTLPAXNWPOSQF-RIEGTJTDSA-N 0 1 344.249 2.999 20 10 EFCDMN COCCN(Cc1n[nH]c(C(C)C)n1)c1ccc(OC)c(OC)c1 ZINC000293127762 474828610 /nfs/dbraw/zinc/82/86/10/474828610.db2.gz LATJJPJDKWNIPC-UHFFFAOYSA-N 0 1 334.420 2.598 20 10 EFCDMN COC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])[C@H]1CCCO1 ZINC000278806336 474845094 /nfs/dbraw/zinc/84/50/94/474845094.db2.gz NGFRDOVDHKKRJY-RIEGTJTDSA-N 0 1 344.249 2.999 20 10 EFCDMN CC(=O)c1cc(Cl)cc(CN2CCC3(CC2)OCCCO3)c1O ZINC000293162748 474846854 /nfs/dbraw/zinc/84/68/54/474846854.db2.gz VQAMPWFEWJCOPO-UHFFFAOYSA-N 0 1 339.819 2.977 20 10 EFCDMN C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc(Br)ccc1[O-] ZINC000273409066 474883456 /nfs/dbraw/zinc/88/34/56/474883456.db2.gz PFHNYGHLQRWWDM-QUBYGPBYSA-N 0 1 328.128 2.729 20 10 EFCDMN CC(C)N(CC(=O)N1CCCCCC1)Cc1cc2c(cc1O)OCO2 ZINC000285125573 474900602 /nfs/dbraw/zinc/90/06/02/474900602.db2.gz MYSJLPGUVMFPBS-UHFFFAOYSA-N 0 1 348.443 2.734 20 10 EFCDMN CC(C)N1C[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1=O ZINC000273449273 474904049 /nfs/dbraw/zinc/90/40/49/474904049.db2.gz FRRYZDBNNNLPQU-CMPLNLGQSA-N 0 1 341.249 2.815 20 10 EFCDMN CC(C)N1C[C@@H]([NH2+][C@H](C)c2ccc(Br)cc2[O-])CC1=O ZINC000273449276 474904055 /nfs/dbraw/zinc/90/40/55/474904055.db2.gz FRRYZDBNNNLPQU-PWSUYJOCSA-N 0 1 341.249 2.815 20 10 EFCDMN CN(Cc1ccc(OCc2ccccc2)cc1O)[C@H]1CCN(C)C1=O ZINC000273547584 474957739 /nfs/dbraw/zinc/95/77/39/474957739.db2.gz URIMCIHRJADJAD-SFHVURJKSA-N 0 1 340.423 2.634 20 10 EFCDMN COC[C@@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@H]1CCCO1 ZINC000279123440 474961048 /nfs/dbraw/zinc/96/10/48/474961048.db2.gz UYEHLDMXSGULNY-HUUCEWRRSA-N 0 1 327.808 2.532 20 10 EFCDMN C[C@H](C[S@](C)=O)N(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279556682 474980102 /nfs/dbraw/zinc/98/01/02/474980102.db2.gz AZRMLBKHSYYUEL-XFNZEKPQSA-N 0 1 336.423 2.970 20 10 EFCDMN CCN(C)C(=O)[C@H](C)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000279775600 474992075 /nfs/dbraw/zinc/99/20/75/474992075.db2.gz AOMMLMIRHMVHKE-NSHDSACASA-N 0 1 331.382 2.728 20 10 EFCDMN COc1cc(Cl)cc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1O ZINC000273734751 475034285 /nfs/dbraw/zinc/03/42/85/475034285.db2.gz KZNRVPAEQUEVRK-ZWNOBZJWSA-N 0 1 339.741 2.942 20 10 EFCDMN C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cnccn1 ZINC000268801054 475041536 /nfs/dbraw/zinc/04/15/36/475041536.db2.gz BBISNLFUSMKJPZ-OAHLLOKOSA-N 0 1 326.444 2.536 20 10 EFCDMN Cc1ccc([C@H](NCc2ccccc2O)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280646697 475041758 /nfs/dbraw/zinc/04/17/58/475041758.db2.gz JDVMTVPQCHJZBW-RDTXWAMCSA-N 0 1 333.453 2.965 20 10 EFCDMN CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000286389665 475063314 /nfs/dbraw/zinc/06/33/14/475063314.db2.gz IWINXQZJMRPMGK-OAHLLOKOSA-N 0 1 336.407 2.615 20 10 EFCDMN CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000286389665 475063316 /nfs/dbraw/zinc/06/33/16/475063316.db2.gz IWINXQZJMRPMGK-OAHLLOKOSA-N 0 1 336.407 2.615 20 10 EFCDMN CN1CCCc2cc(CNC(=O)N[C@H]3CCCc4cn[nH]c43)ccc21 ZINC000268935730 475082304 /nfs/dbraw/zinc/08/23/04/475082304.db2.gz GPQFGSLEPVMVME-INIZCTEOSA-N 0 1 339.443 2.669 20 10 EFCDMN C[C@@H](NC(=O)c1c([O-])c(O)ccc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000294925548 475091376 /nfs/dbraw/zinc/09/13/76/475091376.db2.gz GXQILLRVYLURRA-BZNIZROVSA-N 0 1 332.375 2.658 20 10 EFCDMN CC[C@H]([NH2+]Cc1cnnn1C)c1cc(Br)ccc1[O-] ZINC000287223952 475098907 /nfs/dbraw/zinc/09/89/07/475098907.db2.gz GEOAWPODYDDCTN-LBPRGKRZSA-N 0 1 325.210 2.524 20 10 EFCDMN C[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C[N@@H+]1Cc1ccccc1 ZINC000295164214 475109611 /nfs/dbraw/zinc/10/96/11/475109611.db2.gz QWKIQPUWHNRRSW-TZMCWYRMSA-N 0 1 344.386 2.630 20 10 EFCDMN C[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C[N@H+]1Cc1ccccc1 ZINC000295164214 475109616 /nfs/dbraw/zinc/10/96/16/475109616.db2.gz QWKIQPUWHNRRSW-TZMCWYRMSA-N 0 1 344.386 2.630 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CCOC[C@H](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000292701290 475158334 /nfs/dbraw/zinc/15/83/34/475158334.db2.gz CJEWPMGCMJUSEY-CQSZACIVSA-N 0 1 336.388 2.558 20 10 EFCDMN CC[C@H]([NH2+]CC(C)(C)OCCO)c1cc(Br)ccc1[O-] ZINC000287489559 475170161 /nfs/dbraw/zinc/17/01/61/475170161.db2.gz XRKXMTVHOPSBOK-ZDUSSCGKSA-N 0 1 346.265 2.983 20 10 EFCDMN Cc1cc(C[C@H](C)NC(=O)NCc2c(C)c3ccccc3n2C)n[nH]1 ZINC000349562426 475976098 /nfs/dbraw/zinc/97/60/98/475976098.db2.gz DSDLJQDDMGORQQ-LBPRGKRZSA-N 0 1 339.443 2.949 20 10 EFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000373163768 476381213 /nfs/dbraw/zinc/38/12/13/476381213.db2.gz KLPFKAYIPZOIGZ-ZFWWWQNUSA-N 0 1 342.233 2.582 20 10 EFCDMN Cn1nncc1CNCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000377400830 476384274 /nfs/dbraw/zinc/38/42/74/476384274.db2.gz HGYANMNESCEFRG-UHFFFAOYSA-N 0 1 333.439 2.668 20 10 EFCDMN COc1cc(Br)cc(CN2CCOC[C@@H](C)C2)c1O ZINC000370187091 476688781 /nfs/dbraw/zinc/68/87/81/476688781.db2.gz VUEHXEPCHZPQJE-JTQLQIEISA-N 0 1 330.222 2.632 20 10 EFCDMN NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000370832136 477002464 /nfs/dbraw/zinc/00/24/64/477002464.db2.gz XMKSIEPGKBJLQB-CQSZACIVSA-N 0 1 345.830 2.513 20 10 EFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000376766196 477493130 /nfs/dbraw/zinc/49/31/30/477493130.db2.gz JWKGMSCXSPZANS-JLLWLGSASA-N 0 1 331.199 2.818 20 10 EFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCc2nccn2C1 ZINC000377090547 477638889 /nfs/dbraw/zinc/63/88/89/477638889.db2.gz HQALIYCZZLTLLF-VIFPVBQESA-N 0 1 340.210 2.774 20 10 EFCDMN Clc1cnn([C@@H]2CCN(Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000368117041 477786428 /nfs/dbraw/zinc/78/64/28/477786428.db2.gz WEAMBVPRZVGLAZ-GOSISDBHSA-N 0 1 346.862 2.820 20 10 EFCDMN CCOCc1cc(CN[C@@H]2Cc3ccccc3NC2=O)ccc1OC ZINC000527797685 478524266 /nfs/dbraw/zinc/52/42/66/478524266.db2.gz DNMOWMBDRGPLSE-GOSISDBHSA-N 0 1 340.423 2.885 20 10 EFCDMN CC(=O)c1cc(F)cc(CN2CCC[C@H](c3nc(C)no3)C2)c1O ZINC000177263063 527210833 /nfs/dbraw/zinc/21/08/33/527210833.db2.gz WQKUCCJWPLNXBE-LBPRGKRZSA-N 0 1 333.363 2.805 20 10 EFCDMN CCN(CC)[C@@H](CNC(=O)NCc1ccccc1O)c1ccco1 ZINC000263780625 535658499 /nfs/dbraw/zinc/65/84/99/535658499.db2.gz WEKTZIHEGNIQPW-HNNXBMFYSA-N 0 1 331.416 2.868 20 10 EFCDMN COc1ccc(N2CCN(CCCNc3cccc(F)n3)CC2)cc1 ZINC000301115365 536695734 /nfs/dbraw/zinc/69/57/34/536695734.db2.gz VEBJNTHVFHTJQO-UHFFFAOYSA-N 0 1 344.434 2.854 20 10 EFCDMN COc1c([O-])c(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000290886614 536861589 /nfs/dbraw/zinc/86/15/89/536861589.db2.gz LBXYCRBHMVMBNT-RHSMWYFYSA-N 0 1 348.399 2.843 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000290886614 536861597 /nfs/dbraw/zinc/86/15/97/536861597.db2.gz LBXYCRBHMVMBNT-RHSMWYFYSA-N 0 1 348.399 2.843 20 10 EFCDMN CCc1nc(COC(=O)c2cc(C)n(-c3ccccn3)c2C)n[nH]1 ZINC000754775850 575487785 /nfs/dbraw/zinc/48/77/85/575487785.db2.gz VVCSSHWLGPPGQT-UHFFFAOYSA-N 0 1 325.372 2.527 20 10 EFCDMN CCN(CC)C(=O)C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000756460288 575742612 /nfs/dbraw/zinc/74/26/12/575742612.db2.gz ZISNYOHKLAKVBI-SNVBAGLBSA-N 0 1 329.238 2.674 20 10 EFCDMN C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756459915 575742637 /nfs/dbraw/zinc/74/26/37/575742637.db2.gz QECCXDGDHRYRHZ-WDEREUQCSA-N 0 1 333.259 2.806 20 10 EFCDMN C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756587046 575765658 /nfs/dbraw/zinc/76/56/58/575765658.db2.gz YJCLEEFSTYCNJA-STQMWFEESA-N 0 1 340.414 2.822 20 10 EFCDMN CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000756774602 575785825 /nfs/dbraw/zinc/78/58/25/575785825.db2.gz KNAKCKUTEJXFBF-IRUJWGPZSA-N 0 1 341.249 2.720 20 10 EFCDMN Cc1nc(CC[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])n[nH]1 ZINC000757635870 575846547 /nfs/dbraw/zinc/84/65/47/575846547.db2.gz ADXAMBXKVIAEIV-SSDOTTSWSA-N 0 1 343.200 2.614 20 10 EFCDMN Cc1nnc(CC[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])[nH]1 ZINC000757635870 575846548 /nfs/dbraw/zinc/84/65/48/575846548.db2.gz ADXAMBXKVIAEIV-SSDOTTSWSA-N 0 1 343.200 2.614 20 10 EFCDMN C[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1cc(Br)ccc1[O-] ZINC000757656628 575847828 /nfs/dbraw/zinc/84/78/28/575847828.db2.gz BSTQHYLWELWQQX-YGRLFVJLSA-N 0 1 344.249 2.593 20 10 EFCDMN C[C@@H]([NH2+]C1COC(C)(C)OC1)c1ccc(Br)cc1[O-] ZINC000757705545 575850899 /nfs/dbraw/zinc/85/08/99/575850899.db2.gz OSOKYNIOOGBIJI-SECBINFHSA-N 0 1 330.222 2.957 20 10 EFCDMN CCN(CC)c1ccc(CN(C)[C@H](C)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000759643002 575914363 /nfs/dbraw/zinc/91/43/63/575914363.db2.gz KIRLXNWQKYFALV-APWZRJJASA-N 0 1 347.503 2.648 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)[C@H]3CC34CCC4)cc2F)CC1 ZINC000759783070 575933803 /nfs/dbraw/zinc/93/38/03/575933803.db2.gz GFQMDMRCCMZSJG-MRXNPFEDSA-N 0 1 345.462 2.774 20 10 EFCDMN CCOc1ccc(CN[C@@H](CS(C)(=O)=O)c2ccccc2)c(O)c1 ZINC000765655772 577063148 /nfs/dbraw/zinc/06/31/48/577063148.db2.gz GQBGDAQDAKNXML-KRWDZBQOSA-N 0 1 349.452 2.666 20 10 EFCDMN C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765770887 577074763 /nfs/dbraw/zinc/07/47/63/577074763.db2.gz RUZCMJSARLUVQO-QWRGUYRKSA-N 0 1 341.249 2.644 20 10 EFCDMN Cc1noc2ncc(NCc3ccc(N4CCN(C)CC4)cc3)cc12 ZINC000765944910 577090831 /nfs/dbraw/zinc/09/08/31/577090831.db2.gz UYLSHOKGTZFDBR-UHFFFAOYSA-N 0 1 337.427 2.895 20 10 EFCDMN CCN1C[C@@H](C)N(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@@H]1C ZINC000766250936 577127253 /nfs/dbraw/zinc/12/72/53/577127253.db2.gz LUWPDQXVVGKYEA-JKSUJKDBSA-N 0 1 344.503 2.693 20 10 EFCDMN CS(=O)(=O)[C@H]1CCCCN(Cc2cc3c(cc2O)CCCC3)C1 ZINC000766666710 577176020 /nfs/dbraw/zinc/17/60/20/577176020.db2.gz FIDOIEHUQHZXIR-KRWDZBQOSA-N 0 1 337.485 2.670 20 10 EFCDMN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000767226649 577200796 /nfs/dbraw/zinc/20/07/96/577200796.db2.gz KEXNKWYAOAAHPC-QMTHXVAHSA-N 0 1 330.388 2.562 20 10 EFCDMN O=[N+]([O-])c1cc(Cl)cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[O-] ZINC000725845711 577246764 /nfs/dbraw/zinc/24/67/64/577246764.db2.gz IGFBDHCUCFZVAP-CHWSQXEVSA-N 0 1 325.796 2.670 20 10 EFCDMN O=[N+]([O-])c1cc(Cl)cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1[O-] ZINC000725845711 577246766 /nfs/dbraw/zinc/24/67/66/577246766.db2.gz IGFBDHCUCFZVAP-CHWSQXEVSA-N 0 1 325.796 2.670 20 10 EFCDMN O=C(CNCc1ccc2c(c1)CCO2)Nc1cccc2cccnc21 ZINC000725851128 577250489 /nfs/dbraw/zinc/25/04/89/577250489.db2.gz NVFBTRQUKNMILN-UHFFFAOYSA-N 0 1 333.391 2.898 20 10 EFCDMN CCN(CC)c1ccc(CN2CCN(C[C@@H]3CCCO3)CC2)cc1F ZINC000768193267 577260380 /nfs/dbraw/zinc/26/03/80/577260380.db2.gz ZOBINGIDDMFYNX-SFHVURJKSA-N 0 1 349.494 2.969 20 10 EFCDMN Cn1cccc1C(=O)N1CCN(Cc2c(O)ccc3ccccc32)CC1 ZINC000768220317 577261263 /nfs/dbraw/zinc/26/12/63/577261263.db2.gz NPWIVFACJGUJGS-UHFFFAOYSA-N 0 1 349.434 2.842 20 10 EFCDMN CCC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000768446397 577274464 /nfs/dbraw/zinc/27/44/64/577274464.db2.gz NQOYXRIESXKKMV-PTKHLAPESA-N 0 1 347.455 2.844 20 10 EFCDMN CCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000768446397 577274466 /nfs/dbraw/zinc/27/44/66/577274466.db2.gz NQOYXRIESXKKMV-PTKHLAPESA-N 0 1 347.455 2.844 20 10 EFCDMN Oc1cc2c(cc1CNC1(c3nccs3)CCCC1)[C@@H](O)CO2 ZINC000768465638 577276288 /nfs/dbraw/zinc/27/62/88/577276288.db2.gz OAHDAIJCVNIANY-AWEZNQCLSA-N 0 1 332.425 2.834 20 10 EFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)c1[O-] ZINC000769313352 577351274 /nfs/dbraw/zinc/35/12/74/577351274.db2.gz SVGPACASKYVUIU-CYBMUJFWSA-N 0 1 336.779 2.987 20 10 EFCDMN CC[C@@H](OC)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771053678 581169318 /nfs/dbraw/zinc/16/93/18/581169318.db2.gz PPCKZHAYFIRINW-GOEBONIOSA-N 0 1 340.851 2.551 20 10 EFCDMN Cc1cc(C(=O)N2CCN(C)[C@@H](C)[C@@H]2C)c(C)n1-c1ccccn1 ZINC000771398206 581207658 /nfs/dbraw/zinc/20/76/58/581207658.db2.gz SIWVMFKNKSQATG-GJZGRUSLSA-N 0 1 326.444 2.654 20 10 EFCDMN CC[NH+]1CCN(c2cccc(NC(=O)c3cc(F)ccc3[O-])c2)CC1 ZINC000771638044 581229195 /nfs/dbraw/zinc/22/91/95/581229195.db2.gz XQQSRRSGKPVGGF-UHFFFAOYSA-N 0 1 343.402 2.926 20 10 EFCDMN O=[N+]([O-])c1cc(CN2CCC[C@@H](CO)C2)ccc1N1CCCCC1 ZINC000771929352 581261076 /nfs/dbraw/zinc/26/10/76/581261076.db2.gz XMWGGNRJCXLSLT-MRXNPFEDSA-N 0 1 333.432 2.789 20 10 EFCDMN C[C@H](CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1)S(C)(=O)=O ZINC000773101366 581396644 /nfs/dbraw/zinc/39/66/44/581396644.db2.gz BVDIQOUCDVNNHT-KGLIPLIRSA-N 0 1 342.480 2.900 20 10 EFCDMN CC(C)[N@H+]1CCCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736475055 599767600 /nfs/dbraw/zinc/76/76/00/599767600.db2.gz SAYBGAGHYJYGOQ-FNORWQNLSA-N 0 1 333.388 2.613 20 10 EFCDMN O=C([O-])/C=C/c1ccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000739623508 599768220 /nfs/dbraw/zinc/76/82/20/599768220.db2.gz FZUPDPOVYDPJDR-BPJJOFIESA-N 0 1 342.355 2.800 20 10 EFCDMN Cc1[nH]c(C(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2O)c(C)c1C(=O)[O-] ZINC000738230360 600143147 /nfs/dbraw/zinc/14/31/47/600143147.db2.gz QEFMQCZFMZBCOH-GFCCVEGCSA-N 0 1 330.384 2.739 20 10 EFCDMN C[N@@H+](CCn1cccn1)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000737454304 600281162 /nfs/dbraw/zinc/28/11/62/600281162.db2.gz JJIHLIWWRFZTOJ-UHFFFAOYSA-N 0 1 325.368 2.572 20 10 EFCDMN CN(C)[C@H]1CCC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000737358962 600425858 /nfs/dbraw/zinc/42/58/58/600425858.db2.gz OAZNKIMYLBQFBA-AWEZNQCLSA-N 0 1 328.412 2.770 20 10 EFCDMN C[NH+](C)[C@H]1CCCN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000737358962 600425861 /nfs/dbraw/zinc/42/58/61/600425861.db2.gz OAZNKIMYLBQFBA-AWEZNQCLSA-N 0 1 328.412 2.770 20 10 EFCDMN Cc1ncsc1CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000738892297 600431750 /nfs/dbraw/zinc/43/17/50/600431750.db2.gz IMVROHUBHUOZEM-UHFFFAOYSA-N 0 1 340.832 2.940 20 10 EFCDMN COC(=O)[C@H]1CCC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000737584664 600714699 /nfs/dbraw/zinc/71/46/99/600714699.db2.gz LQUQVWDPWBUCCW-ZDUSSCGKSA-N 0 1 343.379 2.629 20 10 EFCDMN O=C([O-])C[C@@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2O)CCO1 ZINC000833220274 601376475 /nfs/dbraw/zinc/37/64/75/601376475.db2.gz XXPQCKIOZHRKQL-CYBMUJFWSA-N 0 1 341.363 2.967 20 10 EFCDMN CN(C)c1ccc(C[N@@H+](C)Cn2nc(C(=O)[O-])c3ccccc32)cc1 ZINC000830831243 601397338 /nfs/dbraw/zinc/39/73/38/601397338.db2.gz VNTLBCYNJUIUMY-UHFFFAOYSA-N 0 1 338.411 2.890 20 10 EFCDMN O=C([O-])CC[N@@H+](Cc1ccncc1)Cc1c(O)ccc2ccncc21 ZINC000833234308 601559832 /nfs/dbraw/zinc/55/98/32/601559832.db2.gz NMQGOKSWCQUILJ-UHFFFAOYSA-N 0 1 337.379 2.812 20 10 EFCDMN COc1cc(O)c(C[N@@H+]2Cc3ccc(C(=O)[O-])cc3C2)cc1OC ZINC000833728484 604544986 /nfs/dbraw/zinc/54/49/86/604544986.db2.gz GFLHRHWHYMNANM-UHFFFAOYSA-N 0 1 329.352 2.623 20 10 EFCDMN COc1cc(O)c(C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)cc1OC ZINC000833728484 604544989 /nfs/dbraw/zinc/54/49/89/604544989.db2.gz GFLHRHWHYMNANM-UHFFFAOYSA-N 0 1 329.352 2.623 20 10 EFCDMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1ccc(N2CCOCC2)c(F)c1 ZINC000833486500 604577365 /nfs/dbraw/zinc/57/73/65/604577365.db2.gz KPNAPUOYNRBOEW-UHFFFAOYSA-N 0 1 338.423 2.595 20 10 EFCDMN C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000833630658 604665573 /nfs/dbraw/zinc/66/55/73/604665573.db2.gz WHZRWKBGHPYKLU-HIFRSBDPSA-N 0 1 347.415 2.738 20 10 EFCDMN COc1cc(O)c(C[N@@H+](C)[C@@H](C(=O)[O-])c2ccccc2)cc1OC ZINC000833729860 605243064 /nfs/dbraw/zinc/24/30/64/605243064.db2.gz SGTONFHEBIHROG-QGZVFWFLSA-N 0 1 331.368 2.667 20 10 EFCDMN CC1=C(C(=O)[O-])C[C@@H](C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)O1 ZINC000833584882 605360906 /nfs/dbraw/zinc/36/09/06/605360906.db2.gz SSJOESDUBLFXNY-HOTGVXAUSA-N 0 1 347.411 2.521 20 10 EFCDMN COC(=O)[C@H]1CC12CC[NH+](Cc1c([O-])ccc3ccncc31)CC2 ZINC000733791546 1265419796 /nfs/dbraw/zinc/41/97/96/1265419796.db2.gz PEHCQWWDTHNLCH-MRXNPFEDSA-N 0 1 326.396 2.716 20 10 EFCDMN Fc1cc(CNCc2ccnn2CC2CC2)ccc1N1CCOCC1 ZINC000850035172 1250236857 /nfs/dbraw/zinc/23/68/57/1250236857.db2.gz WTVCPJXBUABXIK-UHFFFAOYSA-N 0 1 344.434 2.559 20 10 EFCDMN OC1CCN(c2ccc(CNCc3cnc(C4CC4)nc3)cc2)CC1 ZINC000850406397 1250469689 /nfs/dbraw/zinc/46/96/89/1250469689.db2.gz FOJVGCSCOGFTMY-UHFFFAOYSA-N 0 1 338.455 2.605 20 10 EFCDMN CCn1cc(CN[C@H](C)c2cc(Br)cc(C)c2O)nn1 ZINC000850522475 1250520605 /nfs/dbraw/zinc/52/06/05/1250520605.db2.gz QQROUBDXIBTBRU-SNVBAGLBSA-N 0 1 339.237 2.925 20 10 EFCDMN O=C([O-])[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)C1CCC1 ZINC000715791136 1265651359 /nfs/dbraw/zinc/65/13/59/1265651359.db2.gz XGSDJHNKXOSXGT-LLVKDONJSA-N 0 1 332.169 2.637 20 10 EFCDMN CCCCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3cccc(F)c3[O-])C2)C1=O ZINC001273305045 1266115256 /nfs/dbraw/zinc/11/52/56/1266115256.db2.gz YHBQZPOXRDLDLD-LJQANCHMSA-N 0 1 348.418 2.673 20 10 EFCDMN Cc1ccc(C[N@H+]2CCCC[C@]23CC(=O)N(CC(F)F)C3)c(O)c1 ZINC001272766630 1257710877 /nfs/dbraw/zinc/71/08/77/1257710877.db2.gz SKUUKMPOSXHITA-GOSISDBHSA-N 0 1 338.398 2.923 20 10 EFCDMN O=C1[C@@H](NCc2ccc3c(c2)CCCO3)CCN1Cc1ccccc1 ZINC000921624675 1257831098 /nfs/dbraw/zinc/83/10/98/1257831098.db2.gz OFUMKUOBXYSYTC-IBGZPJMESA-N 0 1 336.435 2.902 20 10 EFCDMN COc1ccc(CN[C@H]2CN(C(C)=O)CC[C@H]2C(F)(F)F)cc1C ZINC000998229349 1259271962 /nfs/dbraw/zinc/27/19/62/1259271962.db2.gz WYBVZSZUVCFGPY-CABCVRRESA-N 0 1 344.377 2.893 20 10 EFCDMN CC[C@H](C)NC(=O)[C@H]1CC12CCN(Cc1ccc(O)c(O)c1)CC2 ZINC001272903399 1261295885 /nfs/dbraw/zinc/29/58/85/1261295885.db2.gz SNTCUTANCUADLD-DZGCQCFKSA-N 0 1 332.444 2.615 20 10 EFCDMN CC(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(F)ccc(F)c1[O-] ZINC001273206945 1263354565 /nfs/dbraw/zinc/35/45/65/1263354565.db2.gz UBGWSTXUIIXKMV-HZPDHXFCSA-N 0 1 338.398 2.892 20 10 EFCDMN CC[C@H](C)N1CC[C@]2(CC[N@@H+](Cc3c(F)ccc(F)c3[O-])C2)C1=O ZINC001273206942 1263355007 /nfs/dbraw/zinc/35/50/07/1263355007.db2.gz UAUAFRCBELJKFS-SGTLLEGYSA-N 0 1 338.398 2.893 20 10 EFCDMN CC[C@@H](C)N1CC[C@]2(CC[N@@H+](Cc3c(F)ccc(F)c3[O-])C2)C1=O ZINC001273206943 1263355127 /nfs/dbraw/zinc/35/51/27/1263355127.db2.gz UAUAFRCBELJKFS-XIKOKIGWSA-N 0 1 338.398 2.893 20 10 EFCDMN O=C(Nc1cccc(N2CCOCC2)c1)c1cc(F)cc2[nH]cnc21 ZINC000131866856 1263576261 /nfs/dbraw/zinc/57/62/61/1263576261.db2.gz DCTFWDFOGAQOKJ-UHFFFAOYSA-N 0 1 340.358 2.791 20 10 EFCDMN CC(C)OC1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000730570187 1264378874 /nfs/dbraw/zinc/37/88/74/1264378874.db2.gz ISOQBPLJTIJTID-UHFFFAOYSA-N 0 1 347.503 2.600 20 10 EFCDMN COCCN1CC[C@H](NC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000730790576 1264443081 /nfs/dbraw/zinc/44/30/81/1264443081.db2.gz ZWVKCFLOBMWRKW-SFHVURJKSA-N 0 1 341.455 2.545 20 10 EFCDMN Cn1ccnc1[C@H](NCc1c(O)ccc(Cl)c1F)C(C)(C)CO ZINC000824673604 1278239713 /nfs/dbraw/zinc/23/97/13/1278239713.db2.gz VQCULEXLKGMLQY-AWEZNQCLSA-N 0 1 341.814 2.768 20 10 EFCDMN O=S(=O)(CC[NH2+]Cc1c([O-])cccc1Cl)c1ccccc1 ZINC000733325594 1265170118 /nfs/dbraw/zinc/17/01/18/1265170118.db2.gz LSDGCGLXSRWQGF-UHFFFAOYSA-N 0 1 325.817 2.609 20 10 EFCDMN CS(=O)(=O)c1ccccc1CC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000922678254 1266583092 /nfs/dbraw/zinc/58/30/92/1266583092.db2.gz XFSWZXIFYHJZQY-UHFFFAOYSA-N 0 1 339.844 2.781 20 10 EFCDMN COc1ccc(O)c(CNC(=O)NC[C@H](c2ccsc2)N(C)C)c1 ZINC000734065107 1266848251 /nfs/dbraw/zinc/84/82/51/1266848251.db2.gz VQHHNTPKEPXHID-OAHLLOKOSA-N 0 1 349.456 2.564 20 10 EFCDMN COC(=O)CC[N@H+](Cc1ccc(Br)cc1[O-])C(C)C ZINC000824807362 1278293965 /nfs/dbraw/zinc/29/39/65/1278293965.db2.gz FBSUHPURZYDBLF-UHFFFAOYSA-N 0 1 330.222 2.928 20 10 EFCDMN COC(=O)CC[N@@H+](Cc1ccc(Br)cc1[O-])C(C)C ZINC000824807362 1278293973 /nfs/dbraw/zinc/29/39/73/1278293973.db2.gz FBSUHPURZYDBLF-UHFFFAOYSA-N 0 1 330.222 2.928 20 10 EFCDMN CC(C)(C)c1ncc(/C=C2/C(=O)NN(c3ccccc3)C2=O)s1 ZINC000736434858 1267601912 /nfs/dbraw/zinc/60/19/12/1267601912.db2.gz XKDDSMDKPGVBGW-LCYFTJDESA-N 0 1 327.409 2.902 20 10 EFCDMN C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@H](C)[N@@H+]1CCO ZINC000824925698 1278355868 /nfs/dbraw/zinc/35/58/68/1278355868.db2.gz CVYIQDQYGHUAPH-PHIMTYICSA-N 0 1 333.259 2.586 20 10 EFCDMN COc1ccc(CN[C@@H](C)C(=O)NCCc2ccccc2)cc1C ZINC000825035092 1278391709 /nfs/dbraw/zinc/39/17/09/1278391709.db2.gz DGJQARZBTOCHHI-INIZCTEOSA-N 0 1 326.440 2.841 20 10 EFCDMN CN1CC[C@H]([N@H+](C)Cc2c3c(ccc2[O-])oc2c3CCCC2)C1=O ZINC000738275396 1268423368 /nfs/dbraw/zinc/42/33/68/1268423368.db2.gz VQKPSQIGSVOYHD-AWEZNQCLSA-N 0 1 328.412 2.680 20 10 EFCDMN CN1CC[C@H]([N@@H+](C)Cc2c3c(ccc2[O-])oc2c3CCCC2)C1=O ZINC000738275396 1268423372 /nfs/dbraw/zinc/42/33/72/1268423372.db2.gz VQKPSQIGSVOYHD-AWEZNQCLSA-N 0 1 328.412 2.680 20 10 EFCDMN C[C@@H]1CCCN(CC[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825113474 1278416603 /nfs/dbraw/zinc/41/66/03/1278416603.db2.gz DSAUSPUZUOVXGG-GFCCVEGCSA-N 0 1 327.266 2.976 20 10 EFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCCc3c2cnn3CCO)cc1Cl ZINC000825138657 1278425877 /nfs/dbraw/zinc/42/58/77/1278425877.db2.gz SAXMXVKRDQEALO-HNNXBMFYSA-N 0 1 335.835 2.710 20 10 EFCDMN COc1cc(F)c(S(=O)(=O)Nc2ccc(O)cc2C)cc1OC ZINC000740701122 1269029408 /nfs/dbraw/zinc/02/94/08/1269029408.db2.gz SWNKAZNUAPPCGB-UHFFFAOYSA-N 0 1 341.360 2.658 20 10 EFCDMN O=C1CCCCN1CCC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825247254 1278484907 /nfs/dbraw/zinc/48/49/07/1278484907.db2.gz PXGSHELVGALNNG-UHFFFAOYSA-N 0 1 341.249 2.647 20 10 EFCDMN CCN1CCN(CC(C)(C)[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000825279040 1278490412 /nfs/dbraw/zinc/49/04/12/1278490412.db2.gz LURGOBWXHIPPRE-UHFFFAOYSA-N 0 1 343.874 2.690 20 10 EFCDMN CCN(CC)c1ccc(CN(C)[C@@H](C)C(=O)NC(=O)NC(C)C)cc1 ZINC000741678330 1269655565 /nfs/dbraw/zinc/65/55/65/1269655565.db2.gz OOIXTKDMWFCIEE-HNNXBMFYSA-N 0 1 348.491 2.587 20 10 EFCDMN CC1(C)C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H]2COC[C@@H]21 ZINC000825332427 1278509940 /nfs/dbraw/zinc/50/99/40/1278509940.db2.gz WMWDHZJYRPVTEI-WCQYABFASA-N 0 1 326.780 2.811 20 10 EFCDMN CC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825505111 1278574581 /nfs/dbraw/zinc/57/45/81/1278574581.db2.gz RSMBMYLCGLYVPM-AWEZNQCLSA-N 0 1 330.222 2.976 20 10 EFCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+](C)CC(C)C)c1 ZINC000744151919 1270906451 /nfs/dbraw/zinc/90/64/51/1270906451.db2.gz MMJFRRNLDNVXAX-UHFFFAOYSA-N 0 1 334.460 2.515 20 10 EFCDMN CN(C)C(=O)CN(Cc1c(O)ccc(Cl)c1F)CC(F)(F)F ZINC000792162944 1278595447 /nfs/dbraw/zinc/59/54/47/1278595447.db2.gz SGUVEKDRBPBQBW-UHFFFAOYSA-N 0 1 342.720 2.637 20 10 EFCDMN CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC001169446570 1272923209 /nfs/dbraw/zinc/92/32/09/1272923209.db2.gz KKNFFXIWIQNKPS-NSHDSACASA-N 0 1 343.265 2.891 20 10 EFCDMN C[C@H](NCc1c(O)cccc1Br)C(=O)NC(C)(C)C ZINC000706818704 1275033155 /nfs/dbraw/zinc/03/31/55/1275033155.db2.gz TXLPKGUBGJONED-VIFPVBQESA-N 0 1 329.238 2.548 20 10 EFCDMN C[C@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)NC(C)(C)C ZINC000706818704 1275033163 /nfs/dbraw/zinc/03/31/63/1275033163.db2.gz TXLPKGUBGJONED-VIFPVBQESA-N 0 1 329.238 2.548 20 10 EFCDMN CC(C)(C)NC(=O)CC[NH2+]Cc1c([O-])cccc1Br ZINC000706818078 1275033946 /nfs/dbraw/zinc/03/39/46/1275033946.db2.gz FOEJPUGSYDYAQF-UHFFFAOYSA-N 0 1 329.238 2.549 20 10 EFCDMN CC(C)O[C@@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000844380758 1278956625 /nfs/dbraw/zinc/95/66/25/1278956625.db2.gz YTRCVHAVUAETSJ-LJQANCHMSA-N 0 1 347.503 2.600 20 10 EFCDMN CCN(CC)c1ccc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1F ZINC000787425319 1275772715 /nfs/dbraw/zinc/77/27/15/1275772715.db2.gz VDFLCEKKHBSILN-MPGHIAIKSA-N 0 1 333.451 2.758 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1O ZINC000817874744 1276355617 /nfs/dbraw/zinc/35/56/17/1276355617.db2.gz PZNDFDDJALFTBB-CABZTGNLSA-N 0 1 325.792 2.791 20 10 EFCDMN C[C@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1cc(F)cc(F)c1[O-] ZINC000817953110 1276397265 /nfs/dbraw/zinc/39/72/65/1276397265.db2.gz NEYFZCZUAVXHIO-NSHDSACASA-N 0 1 334.370 2.648 20 10 EFCDMN CCOC(=O)[C@@H](NCc1cc(Cl)cc(F)c1O)[C@H]1CCCOC1 ZINC000789578958 1276827891 /nfs/dbraw/zinc/82/78/91/1276827891.db2.gz DJPJHCXORLTMMS-HZMBPMFUSA-N 0 1 345.798 2.633 20 10 EFCDMN Cc1[nH]ncc1C1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000789723843 1276962373 /nfs/dbraw/zinc/96/23/73/1276962373.db2.gz NCQPSYANJBOMNO-UHFFFAOYSA-N 0 1 341.459 2.873 20 10 EFCDMN CCNC(=O)Nc1cccc(NC(=O)c2c(F)ccc(O)c2O)c1 ZINC000789963198 1277124903 /nfs/dbraw/zinc/12/49/03/1277124903.db2.gz DZQJHPOQADBLAY-UHFFFAOYSA-N 0 1 333.319 2.631 20 10 EFCDMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000789977601 1277138938 /nfs/dbraw/zinc/13/89/38/1277138938.db2.gz XKXZBAMQJCPZMW-LBPRGKRZSA-N 0 1 338.423 2.867 20 10 EFCDMN CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000789977601 1277138940 /nfs/dbraw/zinc/13/89/40/1277138940.db2.gz XKXZBAMQJCPZMW-LBPRGKRZSA-N 0 1 338.423 2.867 20 10 EFCDMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000789977601 1277138942 /nfs/dbraw/zinc/13/89/42/1277138942.db2.gz XKXZBAMQJCPZMW-LBPRGKRZSA-N 0 1 338.423 2.867 20 10 EFCDMN Cc1nnc(-c2cccc(NC(=O)c3c(F)ccc(O)c3O)c2)o1 ZINC000789986924 1277149632 /nfs/dbraw/zinc/14/96/32/1277149632.db2.gz MFOVFNPBUFEYRL-UHFFFAOYSA-N 0 1 329.287 2.848 20 10 EFCDMN COc1ccc(O)c([C@H](C)NC(=O)c2c[nH]c3ccccc3c2=O)c1 ZINC000103529896 1279029588 /nfs/dbraw/zinc/02/95/88/1279029588.db2.gz LOKORTIYHPHKHU-NSHDSACASA-N 0 1 338.363 2.733 20 10 EFCDMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000923257060 1277404018 /nfs/dbraw/zinc/40/40/18/1277404018.db2.gz QEJKKDXMFRASLZ-VKJFTORMSA-N 0 1 332.444 2.597 20 10 EFCDMN CCc1cc(O)ccc1NS(=O)(=O)c1csc(C(=O)OC)c1 ZINC000790416098 1277528055 /nfs/dbraw/zinc/52/80/55/1277528055.db2.gz PQIUGQJTZFKRLX-UHFFFAOYSA-N 0 1 341.410 2.604 20 10 EFCDMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cccc(O)c1O ZINC000790808892 1277761196 /nfs/dbraw/zinc/76/11/96/1277761196.db2.gz WFNPVNOQELFKON-UHFFFAOYSA-N 0 1 348.156 2.989 20 10 EFCDMN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC2(CCOCC2)O1 ZINC000790931519 1277852514 /nfs/dbraw/zinc/85/25/14/1277852514.db2.gz ZSUUEEVBAVHIGH-LLVKDONJSA-N 0 1 329.799 2.955 20 10 EFCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC2(CCOCC2)O1 ZINC000790931519 1277852515 /nfs/dbraw/zinc/85/25/15/1277852515.db2.gz ZSUUEEVBAVHIGH-LLVKDONJSA-N 0 1 329.799 2.955 20 10 EFCDMN O=[N+]([O-])c1cc(CNC[C@@H](O)C(F)(F)F)ccc1N1CCCCC1 ZINC000790999259 1277898451 /nfs/dbraw/zinc/89/84/51/1277898451.db2.gz CRTWAGDQYGAVLZ-CQSZACIVSA-N 0 1 347.337 2.598 20 10 EFCDMN COc1ccccc1S(=O)(=O)Nc1ccc(O)cc1SC ZINC000792702727 1279127404 /nfs/dbraw/zinc/12/74/04/1279127404.db2.gz YGOWPQWVVADQIJ-UHFFFAOYSA-N 0 1 325.411 2.924 20 10 EFCDMN CO[C@@H]1C[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C[C@@H]1OC ZINC000792708859 1279129298 /nfs/dbraw/zinc/12/92/98/1279129298.db2.gz ATKFUXCCNYYANY-HDICACEKSA-N 0 1 331.412 2.863 20 10 EFCDMN CO[C@@H]1C[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C[C@@H]1OC ZINC000792708859 1279129299 /nfs/dbraw/zinc/12/92/99/1279129299.db2.gz ATKFUXCCNYYANY-HDICACEKSA-N 0 1 331.412 2.863 20 10 EFCDMN [NH3+]C[C@]12CCC[C@H]1CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C2 ZINC000844903083 1279325151 /nfs/dbraw/zinc/32/51/51/1279325151.db2.gz RJLMNAQLTVDQPJ-NHYWBVRUSA-N 0 1 325.796 2.515 20 10 EFCDMN Oc1cc(F)c(Br)cc1CN1CCn2ccnc2C1 ZINC001144292346 1279376402 /nfs/dbraw/zinc/37/64/02/1279376402.db2.gz CLEKGNJAGKWLDK-UHFFFAOYSA-N 0 1 326.169 2.506 20 10 EFCDMN [O-]c1cc(F)c(Br)cc1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC001144300255 1279381096 /nfs/dbraw/zinc/38/10/96/1279381096.db2.gz ZGDOKLMVCKOTMH-LBPRGKRZSA-N 0 1 343.240 2.964 20 10 EFCDMN C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1cc(Br)c(F)cc1[O-] ZINC001144299147 1279387011 /nfs/dbraw/zinc/38/70/11/1279387011.db2.gz QKMCUOCROFXNPV-VHSXEESVSA-N 0 1 332.213 2.887 20 10 EFCDMN Cc1nc(CC[N@H+](C)Cc2cc(Br)c(F)cc2[O-])no1 ZINC001144298939 1279387733 /nfs/dbraw/zinc/38/77/33/1279387733.db2.gz MHHSHOGORZQHGG-UHFFFAOYSA-N 0 1 344.184 2.660 20 10 EFCDMN CN1CCCc2cc(CNCc3cnnn3-c3ccccc3)ccc21 ZINC000845927056 1279938189 /nfs/dbraw/zinc/93/81/89/1279938189.db2.gz CEPUVYBSHHAJAR-UHFFFAOYSA-N 0 1 333.439 2.940 20 10 EFCDMN COc1cccc([C@H](C)NCc2cc(C)nc(N3CCCC3)n2)c1O ZINC000846169588 1280046563 /nfs/dbraw/zinc/04/65/63/1280046563.db2.gz ICUVFLSSQXTGEI-AWEZNQCLSA-N 0 1 342.443 2.950 20 10 EFCDMN COc1cccc([C@H](C)NCc2ccccc2S(C)(=O)=O)c1O ZINC000846171918 1280047833 /nfs/dbraw/zinc/04/78/33/1280047833.db2.gz JMFXTYZFIWQJJX-LBPRGKRZSA-N 0 1 335.425 2.655 20 10 EFCDMN O=C([O-])c1cnn2c1[nH]c(C[N@H+]1CCC[C@H]1c1ccsc1)cc2=O ZINC000846238928 1280082483 /nfs/dbraw/zinc/08/24/83/1280082483.db2.gz OADRFDQBBZEGOA-ZDUSSCGKSA-N 0 1 344.396 2.532 20 10 EFCDMN C[N@H+]1CCC[C@@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000805183517 1280473287 /nfs/dbraw/zinc/47/32/87/1280473287.db2.gz HNYXYTCQWPHTKT-JTQLQIEISA-N 0 1 346.258 2.840 20 10 EFCDMN O=C(NCCn1cccc1)NCc1cc(Cl)cc(Cl)c1O ZINC000805188727 1280475885 /nfs/dbraw/zinc/47/58/85/1280475885.db2.gz HPERBFJOVCVOLK-UHFFFAOYSA-N 0 1 328.199 3.000 20 10 EFCDMN Cc1ocnc1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805252031 1280486530 /nfs/dbraw/zinc/48/65/30/1280486530.db2.gz UQKRZXCQZRCASY-UHFFFAOYSA-N 0 1 330.171 2.995 20 10 EFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NOCC(F)(F)F ZINC000805218444 1280490828 /nfs/dbraw/zinc/49/08/28/1280490828.db2.gz YWHSEJIWJOVRPH-UHFFFAOYSA-N 0 1 333.093 2.992 20 10 EFCDMN Cc1cc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)n(C)n1 ZINC000805469805 1280577584 /nfs/dbraw/zinc/57/75/84/1280577584.db2.gz JAMAGXIVSZPVHM-UHFFFAOYSA-N 0 1 343.214 2.740 20 10 EFCDMN C[C@H](CO)CCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807031669 1281203954 /nfs/dbraw/zinc/20/39/54/1281203954.db2.gz CLFXGALGQABTLV-VIFPVBQESA-N 0 1 335.231 2.907 20 10 EFCDMN NC(=O)c1csc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807838902 1281435449 /nfs/dbraw/zinc/43/54/49/1281435449.db2.gz CAYGNYFSMUEQEZ-UHFFFAOYSA-N 0 1 345.207 2.789 20 10 EFCDMN C[C@@H](NC(=O)C(C)(C)C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840268 1281435487 /nfs/dbraw/zinc/43/54/87/1281435487.db2.gz WHXJXMXVYDXFGV-MRVPVSSYSA-N 0 1 347.242 2.866 20 10 EFCDMN O=C(COc1cccnc1)NCc1cc(Cl)cc(Cl)c1O ZINC000807838036 1281447393 /nfs/dbraw/zinc/44/73/93/1281447393.db2.gz HOOVIAFJCBAZRE-UHFFFAOYSA-N 0 1 327.167 2.789 20 10 EFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCn2cncc2C1 ZINC000807837717 1281447680 /nfs/dbraw/zinc/44/76/80/1281447680.db2.gz BNQSZZXJKDFORV-VIFPVBQESA-N 0 1 340.210 2.774 20 10 EFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc2nc[nH]c2n1 ZINC000807836648 1281447807 /nfs/dbraw/zinc/44/78/07/1281447807.db2.gz IQBQCGMJAPNSEH-UHFFFAOYSA-N 0 1 337.166 2.900 20 10 EFCDMN CC(C)(C)n1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)nn1 ZINC000807838312 1281447833 /nfs/dbraw/zinc/44/78/33/1281447833.db2.gz ORDBYYYYDJFOHZ-UHFFFAOYSA-N 0 1 343.214 2.976 20 10 EFCDMN O=C(COCc1ccccn1)NCc1cc(Cl)cc(Cl)c1O ZINC000807835268 1281448067 /nfs/dbraw/zinc/44/80/67/1281448067.db2.gz CHTXQHOTKOCHQN-UHFFFAOYSA-N 0 1 341.194 2.927 20 10 EFCDMN CCCN1CCc2c(N)sc(NC(=O)c3cccc(O)c3O)c2C1 ZINC001148211983 1281454173 /nfs/dbraw/zinc/45/41/73/1281454173.db2.gz GHVTYPWJOKBHQK-UHFFFAOYSA-N 0 1 347.440 2.762 20 10 EFCDMN CCOC(=O)CC(C)(C)CC(=O)C(O)=Cc1ccccc1[N+](=O)[O-] ZINC000808093448 1281534192 /nfs/dbraw/zinc/53/41/92/1281534192.db2.gz OKKSEZNJPWXGHU-UHFFFAOYSA-N 0 1 335.356 2.645 20 10 EFCDMN CC(=O)NCC[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000808218516 1281595040 /nfs/dbraw/zinc/59/50/40/1281595040.db2.gz SSUUVOVFADSIMF-HNNXBMFYSA-N 0 1 327.428 2.679 20 10 EFCDMN CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000808218516 1281595046 /nfs/dbraw/zinc/59/50/46/1281595046.db2.gz SSUUVOVFADSIMF-HNNXBMFYSA-N 0 1 327.428 2.679 20 10 EFCDMN COc1cccc(O)c1CNCc1ccncc1OC[C@@H]1CCOC1 ZINC000808436865 1281710758 /nfs/dbraw/zinc/71/07/58/1281710758.db2.gz SJIIOULHNDAMBG-CQSZACIVSA-N 0 1 344.411 2.501 20 10 EFCDMN COc1cc([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)ccn1 ZINC000808432535 1281727004 /nfs/dbraw/zinc/72/70/04/1281727004.db2.gz PSRPYVVFCIFHJK-AWEZNQCLSA-N 0 1 345.418 2.917 20 10 EFCDMN CCCc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n[nH]1 ZINC000747519316 1281823686 /nfs/dbraw/zinc/82/36/86/1281823686.db2.gz YJWOQSOWDXHRRZ-MRXNPFEDSA-N 0 1 343.427 2.889 20 10 EFCDMN O=C(C[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1)c1ccc([O-])c(O)c1 ZINC001171349278 1281926702 /nfs/dbraw/zinc/92/67/02/1281926702.db2.gz HOWXQRLKTQEGAO-CYBMUJFWSA-N 0 1 333.334 2.706 20 10 EFCDMN CCOc1ccc(N2CCN([C@@H]3CC[C@@H](C(=O)OC)C3)CC2)cc1 ZINC001170575065 1282132210 /nfs/dbraw/zinc/13/22/10/1282132210.db2.gz WSCGXHSYMMOIOB-NVXWUHKLSA-N 0 1 332.444 2.549 20 10 EFCDMN Cc1cc(N(C)C)ccc1CNCc1cnc(C2OCCO2)s1 ZINC000809619615 1282323849 /nfs/dbraw/zinc/32/38/49/1282323849.db2.gz 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NC(=O)c1ccc(NC(=O)c2cc(O)c(O)c(Cl)c2)cc1Cl ZINC001193624405 1293372097 /nfs/dbraw/zinc/37/20/97/1293372097.db2.gz CQVKMGKCSKUZKP-UHFFFAOYSA-N 0 1 341.150 2.756 20 10 EFCDMN Cc1cc(N)cc2sc(=N)n(C(=O)c3cc(O)c(O)c(Cl)c3)c21 ZINC001193624597 1293372738 /nfs/dbraw/zinc/37/27/38/1293372738.db2.gz GCVKNSJMNSURAA-UHFFFAOYSA-N 0 1 349.799 2.826 20 10 EFCDMN O=C(NCCOc1ccccc1F)c1cc(O)c(O)c(Cl)c1 ZINC001193626721 1293375265 /nfs/dbraw/zinc/37/52/65/1293375265.db2.gz ZLEATCMZILNEEM-UHFFFAOYSA-N 0 1 325.723 2.699 20 10 EFCDMN O=C(NCC1(c2ccc(F)cn2)CC1)c1cc(O)c(O)c(Cl)c1 ZINC001193634431 1293377967 /nfs/dbraw/zinc/37/79/67/1293377967.db2.gz WFJOVYKWUMTMPO-UHFFFAOYSA-N 0 1 336.750 2.747 20 10 EFCDMN Cn1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)c(C(F)(F)F)n1 ZINC001193605944 1293390857 /nfs/dbraw/zinc/39/08/57/1293390857.db2.gz NXUDJSWQPYZXTF-UHFFFAOYSA-N 0 1 335.669 2.756 20 10 EFCDMN O=C(Nc1cc(Cl)nc2ccnn21)c1cc(O)c(O)c(Cl)c1 ZINC001193604940 1293390969 /nfs/dbraw/zinc/39/09/69/1293390969.db2.gz 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CCOC[C@@H]1CN(Cc2ccc(N(C)C)cc2)Cc2cnn(C)c21 ZINC001203931069 1313050106 /nfs/dbraw/zinc/05/01/06/1313050106.db2.gz AVXMXCYHRCSLSM-KRWDZBQOSA-N 0 1 328.460 2.622 20 10 EFCDMN CN(C)c1ccc(CN2CCC[C@@H](NC(=O)c3ccncc3)C2)cc1 ZINC001203936574 1313051719 /nfs/dbraw/zinc/05/17/19/1313051719.db2.gz HUTLGVQLCUDJGX-GOSISDBHSA-N 0 1 338.455 2.542 20 10 EFCDMN C[N@H+](CC(=O)NCc1cccs1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775696067 1294163409 /nfs/dbraw/zinc/16/34/09/1294163409.db2.gz HKVYRRFSLNBOLH-UHFFFAOYSA-N 0 1 342.823 2.994 20 10 EFCDMN C[N@@H+](CC(=O)NCc1cccs1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775696067 1294163412 /nfs/dbraw/zinc/16/34/12/1294163412.db2.gz HKVYRRFSLNBOLH-UHFFFAOYSA-N 0 1 342.823 2.994 20 10 EFCDMN CC(C)(C)OC(=O)[C@@H]1CN(Cc2cccc(Cl)c2O)CCO1 ZINC000775713576 1294234613 /nfs/dbraw/zinc/23/46/13/1294234613.db2.gz WEQWDTZHYHOHRH-ZDUSSCGKSA-N 0 1 327.808 2.588 20 10 EFCDMN CCC[C@@H]1CN(Cc2cccc(Cl)c2[O-])CC[N@H+]1CCOC ZINC000775736741 1294322072 /nfs/dbraw/zinc/32/20/72/1294322072.db2.gz JDYIKLMRGDYAKX-OAHLLOKOSA-N 0 1 326.868 2.978 20 10 EFCDMN CCC[C@H]1CN(Cc2cccc(Cl)c2[O-])CC[N@H+]1CCOC ZINC000775736739 1294322117 /nfs/dbraw/zinc/32/21/17/1294322117.db2.gz JDYIKLMRGDYAKX-HNNXBMFYSA-N 0 1 326.868 2.978 20 10 EFCDMN C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@H](c4ccco4)C3)cc2)CC1 ZINC000775734712 1294323113 /nfs/dbraw/zinc/32/31/13/1294323113.db2.gz XSIOZZZDTVAZMQ-FQEVSTJZSA-N 0 1 341.455 2.605 20 10 EFCDMN COC(=O)[C@@H](COC(C)C)N(C)Cc1cc(Cl)cc(F)c1O ZINC000775742708 1294371729 /nfs/dbraw/zinc/37/17/29/1294371729.db2.gz WHBLPGOMXKTJBQ-CYBMUJFWSA-N 0 1 333.787 2.583 20 10 EFCDMN CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@](C)(O)C(F)F ZINC000886027967 1294630305 /nfs/dbraw/zinc/63/03/05/1294630305.db2.gz KSJSDFZTOFPPHY-CYBMUJFWSA-N 0 1 338.192 2.993 20 10 EFCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@](C)(O)C(F)F ZINC000886027967 1294630313 /nfs/dbraw/zinc/63/03/13/1294630313.db2.gz KSJSDFZTOFPPHY-CYBMUJFWSA-N 0 1 338.192 2.993 20 10 EFCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@](C)(O)C(F)F ZINC000886027967 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COc1ccc2nc(CN[C@@H](C)c3ccc(N(C)C)cc3)[nH]c2n1 ZINC000775834547 1294978081 /nfs/dbraw/zinc/97/80/81/1294978081.db2.gz AACMLFDFPYGMJC-LBPRGKRZSA-N 0 1 325.416 2.883 20 10 EFCDMN CCN1CCCC[C@H]1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000104381330 1294983880 /nfs/dbraw/zinc/98/38/80/1294983880.db2.gz MSUISYFQQVSSHD-IBGZPJMESA-N 0 1 345.487 2.655 20 10 EFCDMN Cc1ncc(S(=O)(=O)Nc2cc(Cl)c(O)cc2Cl)n1C ZINC001198399090 1295030084 /nfs/dbraw/zinc/03/00/84/1295030084.db2.gz VKGMJKRVTCXHEA-UHFFFAOYSA-N 0 1 336.200 2.542 20 10 EFCDMN COc1cc(CN2CCCN(c3ccc(F)cc3)CC2)cc(O)c1O ZINC001204350491 1313127243 /nfs/dbraw/zinc/12/72/43/1313127243.db2.gz IAYMKTDODQAGII-UHFFFAOYSA-N 0 1 346.402 2.958 20 10 EFCDMN CCOC(=O)C[C@@H]1CCN(Cc2cc(O)c(O)c(OC)c2)C[C@H]1C ZINC001204350540 1313127406 /nfs/dbraw/zinc/12/74/06/1313127406.db2.gz IHNSEDIFPCBCRB-OCCSQVGLSA-N 0 1 337.416 2.518 20 10 EFCDMN COc1ccc2ccc(O)c(CN3CC(N4CC[C@H](F)C4)C3)c2c1 ZINC001234552845 1313155162 /nfs/dbraw/zinc/15/51/62/1313155162.db2.gz KUTHNJBOHPIBTL-AWEZNQCLSA-N 0 1 330.403 2.782 20 10 EFCDMN CCOC(=O)CN(CC)Cc1cc(Br)cc(F)c1O ZINC001204697827 1313182284 /nfs/dbraw/zinc/18/22/84/1313182284.db2.gz WJCPWVAMIDEPJC-UHFFFAOYSA-N 0 1 334.185 2.679 20 10 EFCDMN CC[C@@H]1C[C@H](C)CN1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000889669324 1295794426 /nfs/dbraw/zinc/79/44/26/1295794426.db2.gz GPJOYTJRCWANGZ-FUHWJXTLSA-N 0 1 344.503 2.768 20 10 EFCDMN CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(C)cccc1O ZINC001274301832 1296057141 /nfs/dbraw/zinc/05/71/41/1296057141.db2.gz SPDWVTCBKOHHIZ-QRWLVFNGSA-N 0 1 344.455 2.635 20 10 EFCDMN COC(=O)c1cc(CN2CCc3cccc(O)c3C2)ccc1OC ZINC001234978020 1313215781 /nfs/dbraw/zinc/21/57/81/1313215781.db2.gz VTFXDBJBAQIBIP-UHFFFAOYSA-N 0 1 327.380 2.746 20 10 EFCDMN COC(=O)CC(C)(C)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001320510784 1296114297 /nfs/dbraw/zinc/11/42/97/1296114297.db2.gz YSFZWWZEXGRJPB-UHFFFAOYSA-N 0 1 330.768 2.727 20 10 EFCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc[nH]1 ZINC001275363090 1296262694 /nfs/dbraw/zinc/26/26/94/1296262694.db2.gz UZKFLFKPHKVXNP-IRXDYDNUSA-N 0 1 333.382 2.847 20 10 EFCDMN [O-]c1c(F)ccc(F)c1CN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc[nH]1 ZINC001275363090 1296262705 /nfs/dbraw/zinc/26/27/05/1296262705.db2.gz UZKFLFKPHKVXNP-IRXDYDNUSA-N 0 1 333.382 2.847 20 10 EFCDMN [O-]c1c(F)ccc(F)c1CN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc[nH]1 ZINC001275363090 1296262714 /nfs/dbraw/zinc/26/27/14/1296262714.db2.gz UZKFLFKPHKVXNP-IRXDYDNUSA-N 0 1 333.382 2.847 20 10 EFCDMN [O-]c1c(F)ccc(F)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1ccc[nH]1 ZINC001275363075 1296263158 /nfs/dbraw/zinc/26/31/58/1296263158.db2.gz UIXFYXSFDQWUNT-OKILXGFUSA-N 0 1 333.382 2.847 20 10 EFCDMN [O-]c1c(F)ccc(F)c1CN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc[nH]1 ZINC001275363075 1296263172 /nfs/dbraw/zinc/26/31/72/1296263172.db2.gz UIXFYXSFDQWUNT-OKILXGFUSA-N 0 1 333.382 2.847 20 10 EFCDMN [O-]c1c(F)ccc(F)c1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc[nH]1 ZINC001275363075 1296263178 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1313591599 /nfs/dbraw/zinc/59/15/99/1313591599.db2.gz UDZMPDRMLCBTAQ-GWCFXTLKSA-N 0 1 326.799 2.627 20 10 EFCDMN CN1C(=O)CC[C@H]2C[N@H+](Cc3c([O-])ccc(F)c3Cl)CC[C@@H]21 ZINC001237129042 1313591602 /nfs/dbraw/zinc/59/16/02/1313591602.db2.gz UDZMPDRMLCBTAQ-GWCFXTLKSA-N 0 1 326.799 2.627 20 10 EFCDMN CCOc1ccc(CN(C)C(=O)CN(C)Cc2ccccc2O)cc1 ZINC000109770977 1299338316 /nfs/dbraw/zinc/33/83/16/1299338316.db2.gz KSCGGJRGCQYSKD-UHFFFAOYSA-N 0 1 342.439 2.881 20 10 EFCDMN COc1ccc(CN2CC[C@H](N(C)Cc3ccccc3O)C2=O)cc1 ZINC000851840415 1299427822 /nfs/dbraw/zinc/42/78/22/1299427822.db2.gz GIMNKYZANZNJAX-SFHVURJKSA-N 0 1 340.423 2.634 20 10 EFCDMN COc1ccc(N(C)CC[N@H+](C)CCc2nc(C)c(C(C)=O)[nH]2)cc1 ZINC000852210804 1299598524 /nfs/dbraw/zinc/59/85/24/1299598524.db2.gz BAHRTMXIBSFIKC-UHFFFAOYSA-N 0 1 344.459 2.540 20 10 EFCDMN COc1ccc(N(C)CC[N@@H+](C)CCc2nc(C)c(C(C)=O)[nH]2)cc1 ZINC000852210804 1299598529 /nfs/dbraw/zinc/59/85/29/1299598529.db2.gz BAHRTMXIBSFIKC-UHFFFAOYSA-N 0 1 344.459 2.540 20 10 EFCDMN Cc1cccc(O)c1C[N@@H+]1C[C@@H]2[C@H](CC(=O)NCc3ccco3)[C@@H]2C1 ZINC001237488569 1313655034 /nfs/dbraw/zinc/65/50/34/1313655034.db2.gz OEBAGGUJEUIEHN-VBUUOAMHSA-N 0 1 340.423 2.678 20 10 EFCDMN Cc1cccc(O)c1CN1CCN(C(=O)Cc2ccsc2)CC1 ZINC001237494422 1313655920 /nfs/dbraw/zinc/65/59/20/1313655920.db2.gz INNAIJDPDLPJNJ-UHFFFAOYSA-N 0 1 330.453 2.649 20 10 EFCDMN C[C@@H]1CCCC[C@H]1OCCNC(=O)CN(C)Cc1ccccc1O ZINC000111235412 1300080613 /nfs/dbraw/zinc/08/06/13/1300080613.db2.gz SJHJXXRKQXXLNV-CRAIPNDOSA-N 0 1 334.460 2.536 20 10 EFCDMN COc1ccc(CN(C)C(=O)CN(C)Cc2ccccc2O)cc1F ZINC000111236505 1300080934 /nfs/dbraw/zinc/08/09/34/1300080934.db2.gz YAKAXASWTQSLBX-UHFFFAOYSA-N 0 1 346.402 2.630 20 10 EFCDMN C[N@@H+]1CCCC2(CCN(C(=O)c3ccc(O)c([O-])c3Cl)CC2)C1 ZINC001276527217 1313668937 /nfs/dbraw/zinc/66/89/37/1313668937.db2.gz JDWXJVKKNFZCBG-UHFFFAOYSA-N 0 1 338.835 2.699 20 10 EFCDMN C[N@H+]1CCCC2(CCN(C(=O)c3ccc(O)c([O-])c3Cl)CC2)C1 ZINC001276527217 1313668938 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CCOC(=O)[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)CCS1 ZINC001237622815 1313678939 /nfs/dbraw/zinc/67/89/39/1313678939.db2.gz BBOGOMQNSOYHEG-LBPRGKRZSA-N 0 1 333.812 2.665 20 10 EFCDMN CCOC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])CCS1 ZINC001237622815 1313678942 /nfs/dbraw/zinc/67/89/42/1313678942.db2.gz BBOGOMQNSOYHEG-LBPRGKRZSA-N 0 1 333.812 2.665 20 10 EFCDMN CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CCS1 ZINC001237622815 1313678946 /nfs/dbraw/zinc/67/89/46/1313678946.db2.gz BBOGOMQNSOYHEG-LBPRGKRZSA-N 0 1 333.812 2.665 20 10 EFCDMN COC(=O)[C@@H]1CCCN(Cc2cc(Br)c(C)cc2O)C1 ZINC001237675852 1313689229 /nfs/dbraw/zinc/68/92/29/1313689229.db2.gz CCXJPNWEJWTCRF-LLVKDONJSA-N 0 1 342.233 2.848 20 10 EFCDMN C[C@@H]1C[N@@H+](Cc2cccc(I)c2[O-])CCCO1 ZINC001237777136 1313704313 /nfs/dbraw/zinc/70/43/13/1313704313.db2.gz NDJPQJVFNJFHRF-SNVBAGLBSA-N 0 1 347.196 2.608 20 10 EFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCc2nn[nH]c21 ZINC000854476046 1300583678 /nfs/dbraw/zinc/58/36/78/1300583678.db2.gz ZWKWLEJOICVMSR-SECBINFHSA-N 0 1 341.198 2.553 20 10 EFCDMN O=C(N1CCCC1)C12CC(C1)C[N@H+]2Cc1cc(F)cc(Cl)c1[O-] ZINC001237799332 1313708459 /nfs/dbraw/zinc/70/84/59/1313708459.db2.gz GTCNDKQAMRPWHN-UHFFFAOYSA-N 0 1 338.810 2.772 20 10 EFCDMN O=C(N1CCCC1)C12CC(C1)C[N@@H+]2Cc1cc(F)cc(Cl)c1[O-] ZINC001237799332 1313708461 /nfs/dbraw/zinc/70/84/61/1313708461.db2.gz GTCNDKQAMRPWHN-UHFFFAOYSA-N 0 1 338.810 2.772 20 10 EFCDMN CC(C)NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(F)c1[O-])C2 ZINC001276538666 1313707414 /nfs/dbraw/zinc/70/74/14/1313707414.db2.gz FIGKUTVQUVPFTE-LJQANCHMSA-N 0 1 349.450 2.937 20 10 EFCDMN COC[C@@H]1CN(Cc2cc(F)cc(Cl)c2O)Cc2ncn(C)c21 ZINC001237799337 1313708021 /nfs/dbraw/zinc/70/80/21/1313708021.db2.gz GUKZVVPAZAPEDB-NSHDSACASA-N 0 1 339.798 2.664 20 10 EFCDMN COC[C@@H]1C[N@H+](Cc2cc(F)cc(Cl)c2[O-])Cc2cn(C)nc21 ZINC001237799978 1313708504 /nfs/dbraw/zinc/70/85/04/1313708504.db2.gz LIKHEAOVUBXJHQ-LBPRGKRZSA-N 0 1 339.798 2.664 20 10 EFCDMN COC[C@@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2[O-])Cc2cn(C)nc21 ZINC001237799978 1313708505 /nfs/dbraw/zinc/70/85/05/1313708505.db2.gz LIKHEAOVUBXJHQ-LBPRGKRZSA-N 0 1 339.798 2.664 20 10 EFCDMN O=C1CCC[C@@]2(CCC[N@H+](Cc3cc(F)cc(Cl)c3[O-])C2)N1 ZINC001237798965 1313708509 /nfs/dbraw/zinc/70/85/09/1313708509.db2.gz FDPZKGDIRNOECW-INIZCTEOSA-N 0 1 326.799 2.819 20 10 EFCDMN Cc1cncnc1O[C@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237804263 1313710026 /nfs/dbraw/zinc/71/00/26/1313710026.db2.gz ZUZAQJAPDGQDQB-ZDUSSCGKSA-N 0 1 337.782 2.936 20 10 EFCDMN O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237808600 1313710467 /nfs/dbraw/zinc/71/04/67/1313710467.db2.gz URIMHEOMZLODSI-NWDGAFQWSA-N 0 1 348.805 2.966 20 10 EFCDMN COC[C@@H]1Cn2nccc2C[N@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237815481 1313711764 /nfs/dbraw/zinc/71/17/64/1313711764.db2.gz YMSDLPKXAFSTEK-NSHDSACASA-N 0 1 339.798 2.660 20 10 EFCDMN COC[C@@H]1Cn2nccc2C[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237815481 1313711766 /nfs/dbraw/zinc/71/17/66/1313711766.db2.gz YMSDLPKXAFSTEK-NSHDSACASA-N 0 1 339.798 2.660 20 10 EFCDMN COCCCC[NH+]1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237943174 1313734901 /nfs/dbraw/zinc/73/49/01/1313734901.db2.gz KXDGQEAFOOBKLJ-UHFFFAOYSA-N 0 1 330.831 2.729 20 10 EFCDMN COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(F)c(Cl)cc1[O-])C2 ZINC001237948331 1313735519 /nfs/dbraw/zinc/73/55/19/1313735519.db2.gz CSCQJPAQGLNXIE-NHCYSSNCSA-N 0 1 327.783 2.958 20 10 EFCDMN CC[C@H]([NH2+][C@@H]1CCOC[C@H]1OCCOC)c1cc(Cl)ccc1[O-] ZINC000776869733 1301209642 /nfs/dbraw/zinc/20/96/42/1301209642.db2.gz PRASPYVFAMOLBI-ZMSDIMECSA-N 0 1 343.851 2.907 20 10 EFCDMN CCOC[C@@H]1CN(Cc2cc(F)cc(C)c2O)Cc2cnn(C)c21 ZINC001238060914 1313753272 /nfs/dbraw/zinc/75/32/72/1313753272.db2.gz KHZXXMQEQFFXIK-HNNXBMFYSA-N 0 1 333.407 2.709 20 10 EFCDMN CC[C@@H](NCc1nncn1C)c1cc(Br)ccc1O ZINC000038007564 1302007651 /nfs/dbraw/zinc/00/76/51/1302007651.db2.gz XOFRGXPMYXXFPU-LLVKDONJSA-N 0 1 325.210 2.524 20 10 EFCDMN CN(C)c1cc(F)c(CN(CCC(N)=O)Cc2ccccc2)cc1F ZINC000862216902 1302309379 /nfs/dbraw/zinc/30/93/79/1302309379.db2.gz PGGVXBPABQHZBO-UHFFFAOYSA-N 0 1 347.409 2.908 20 10 EFCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000862252469 1302323508 /nfs/dbraw/zinc/32/35/08/1302323508.db2.gz UPJYNECZVIULLY-TZMCWYRMSA-N 0 1 344.274 2.861 20 10 EFCDMN [O-]c1cccc(Br)c1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000862252469 1302323520 /nfs/dbraw/zinc/32/35/20/1302323520.db2.gz UPJYNECZVIULLY-TZMCWYRMSA-N 0 1 344.274 2.861 20 10 EFCDMN CC[C@@H](C)[N@@H+](CCO)Cc1cc(Br)cc(OC)c1O ZINC000862387897 1302362937 /nfs/dbraw/zinc/36/29/37/1302362937.db2.gz TWESTOXZPPPYOU-SNVBAGLBSA-N 0 1 332.238 2.756 20 10 EFCDMN CON1CCC([N@@H+](C)Cc2c(O)cccc2Br)CC1 ZINC000862389588 1302363999 /nfs/dbraw/zinc/36/39/99/1302363999.db2.gz SVOHCLMYYPTGSN-UHFFFAOYSA-N 0 1 329.238 2.612 20 10 EFCDMN CON1CCC([N@H+](C)Cc2c([O-])cccc2Br)CC1 ZINC000862389588 1302364011 /nfs/dbraw/zinc/36/40/11/1302364011.db2.gz SVOHCLMYYPTGSN-UHFFFAOYSA-N 0 1 329.238 2.612 20 10 EFCDMN CON1CCC([N@@H+](C)Cc2c([O-])cccc2Br)CC1 ZINC000862389588 1302364023 /nfs/dbraw/zinc/36/40/23/1302364023.db2.gz SVOHCLMYYPTGSN-UHFFFAOYSA-N 0 1 329.238 2.612 20 10 EFCDMN Cc1cc(CNC(=O)[C@H]2CCCc3n[nH]nc32)c(C)n1-c1ccccc1 ZINC000863164407 1302545242 /nfs/dbraw/zinc/54/52/42/1302545242.db2.gz JBUMLEUCNCHYJR-KRWDZBQOSA-N 0 1 349.438 2.949 20 10 EFCDMN C[C@H]1C[N@H+](Cc2cccc(Br)c2O)CC[C@@H]1C(=O)[O-] ZINC000863740574 1302702792 /nfs/dbraw/zinc/70/27/92/1302702792.db2.gz XXRCPJWLAWHLDR-ONGXEEELSA-N 0 1 328.206 2.697 20 10 EFCDMN C[C@H]1C[N@@H+](Cc2cccc(Br)c2O)CC[C@@H]1C(=O)[O-] ZINC000863740574 1302702803 /nfs/dbraw/zinc/70/28/03/1302702803.db2.gz XXRCPJWLAWHLDR-ONGXEEELSA-N 0 1 328.206 2.697 20 10 EFCDMN C[C@H]1OCC[C@@]12CN(Cc1cc(C(C)(C)C)cc(O)c1O)CCO2 ZINC000794662843 1302885862 /nfs/dbraw/zinc/88/58/62/1302885862.db2.gz PGPXUTGBDANHDR-BFUOFWGJSA-N 0 1 335.444 2.775 20 10 EFCDMN C[C@@H]1C[C@H]1c1nnc(NCc2ccc(N3CCN(C)CC3)cc2)o1 ZINC000865294160 1303210450 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/nfs/dbraw/zinc/03/07/35/1316030735.db2.gz YKVIAVRRPHSYHT-WMZOPIPTSA-N 0 1 346.471 2.939 20 10 EFCDMN O=C(CN[C@H]1COc2ccc(Cl)cc2C1)c1ccc(O)c(O)c1 ZINC001257949702 1316104899 /nfs/dbraw/zinc/10/48/99/1316104899.db2.gz AWTCCDMSGXPLIW-CYBMUJFWSA-N 0 1 333.771 2.527 20 10 EFCDMN COc1ccc(CC[C@@H](C)[NH2+]CC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001258393659 1316147799 /nfs/dbraw/zinc/14/77/99/1316147799.db2.gz YTKHBRZSBXWWAB-CYBMUJFWSA-N 0 1 329.396 2.900 20 10 EFCDMN COc1ccc(N2CCN([C@H](C)Cc3cccnc3)CC2)c(OC)c1 ZINC001258630643 1316168058 /nfs/dbraw/zinc/16/80/58/1316168058.db2.gz CGDJBIHQYXNQEH-MRXNPFEDSA-N 0 1 341.455 2.852 20 10 EFCDMN CN(C)[C@@H](CNC(=O)NCc1ccc(N)cc1)c1cccc(F)c1 ZINC001262560144 1316472049 /nfs/dbraw/zinc/47/20/49/1316472049.db2.gz IEMQPOXUTXNVIY-KRWDZBQOSA-N 0 1 330.407 2.510 20 10 EFCDMN CCN(CC)c1ccc(CN(C)Cc2c(C)nn(CCO)c2C)cc1 ZINC001319687207 1328950532 /nfs/dbraw/zinc/95/05/32/1328950532.db2.gz DCWMKUPHODVFAP-UHFFFAOYSA-N 0 1 344.503 2.970 20 10 EFCDMN CCC[C@@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1nn[nH]n1 ZINC000736431314 1321977470 /nfs/dbraw/zinc/97/74/70/1321977470.db2.gz MWSCXQVVXJLUSK-MRXNPFEDSA-N 0 1 338.415 2.878 20 10 EFCDMN CC(C)CNC(=O)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC001320133137 1329094112 /nfs/dbraw/zinc/09/41/12/1329094112.db2.gz OMXDDKDAJXRAJR-JTQLQIEISA-N 0 1 329.238 2.578 20 10 EFCDMN CCN(CC)c1ccc(C[N@@H+](CCC(=O)[O-])C[C@H]2CCCO2)cc1 ZINC000901681399 1324754331 /nfs/dbraw/zinc/75/43/31/1324754331.db2.gz LQFXQELXKNGWJJ-GOSISDBHSA-N 0 1 334.460 2.989 20 10 EFCDMN CN(C)c1ccc(C[N@@H+](C)Cc2ccc(OCC(=O)[O-])cc2)cc1F ZINC000901833510 1324757883 /nfs/dbraw/zinc/75/78/83/1324757883.db2.gz ZBWIOKQLHPLJJX-UHFFFAOYSA-N 0 1 346.402 2.987 20 10 EFCDMN CCN(CC)c1ccc(C[N@H+]2CCC[C@@](COC)(C(=O)[O-])C2)cc1 ZINC000901864540 1324759123 /nfs/dbraw/zinc/75/91/23/1324759123.db2.gz HDXSBSJJQGJTKI-LJQANCHMSA-N 0 1 334.460 2.846 20 10 EFCDMN CN1CCCc2cc(CNC(=O)N3CCN(C(C)(C)C)CC3)ccc21 ZINC001320794053 1329303024 /nfs/dbraw/zinc/30/30/24/1329303024.db2.gz KVGNVUMMLWTCDZ-UHFFFAOYSA-N 0 1 344.503 2.695 20 10 EFCDMN C[C@@H]([NH2+]CCN1CCC(CO)CC1)c1ccc2ccccc2c1[O-] ZINC001321024679 1329332409 /nfs/dbraw/zinc/33/24/09/1329332409.db2.gz UGQVTTQQBZCVMJ-OAHLLOKOSA-N 0 1 328.456 2.900 20 10 EFCDMN CCOC(=O)N[C@@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001323285247 1329530999 /nfs/dbraw/zinc/53/09/99/1329530999.db2.gz FCINEFXLABVADM-QGZVFWFLSA-N 0 1 331.460 2.997 20 10 EFCDMN O=C1COc2ccccc2N1CC[NH2+]Cc1c([O-])cccc1Cl ZINC001324924585 1329659566 /nfs/dbraw/zinc/65/95/66/1329659566.db2.gz VRVONFDDGYZGGW-UHFFFAOYSA-N 0 1 332.787 2.561 20 10 EFCDMN COc1ccc(N(C)CCN(C)Cc2ccnn2CC2CC2)cc1 ZINC001327891544 1330527235 /nfs/dbraw/zinc/52/72/35/1330527235.db2.gz LQXVPQZBGYOHIU-UHFFFAOYSA-N 0 1 328.460 2.870 20 10 EFCDMN O=C([O-])[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@@H]1CCOC2(CCC2)C1 ZINC001333176495 1331088456 /nfs/dbraw/zinc/08/84/56/1331088456.db2.gz RTPSQPNTUAYGLA-YGRLFVJLSA-N 0 1 341.354 2.563 20 10 EFCDMN Cc1ccc([C@H](CNC(=O)NCc2ccc(N)cc2)N2CCCC2)o1 ZINC001335397262 1331343125 /nfs/dbraw/zinc/34/31/25/1331343125.db2.gz OFAOPDPEDYANQB-KRWDZBQOSA-N 0 1 342.443 2.807 20 10 EFCDMN CCCOc1ccc(CN[C@@H](C)C(=O)NCC(F)(F)F)cc1C ZINC001336721831 1331496297 /nfs/dbraw/zinc/49/62/97/1331496297.db2.gz QOXUHYKWXBYCLU-LBPRGKRZSA-N 0 1 332.366 2.940 20 10 EFCDMN CCC(C)(C)N1CCN(c2nnc(C3SC=CC3=O)n2C)CC1 ZINC001339455092 1331871327 /nfs/dbraw/zinc/87/13/27/1331871327.db2.gz IVVWBALRGFUOPO-UHFFFAOYSA-N 0 1 335.477 2.560 20 10 EFCDMN O=C(c1cnc(C2CC2)[nH]1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001340275327 1332165893 /nfs/dbraw/zinc/16/58/93/1332165893.db2.gz BAFVEXOZPPPJEA-HNNXBMFYSA-N 0 1 341.411 2.814 20 10 EFCDMN CCN(CC)c1ccc(CNC(=O)[C@@H](C)Cc2cnc[nH]2)cc1F ZINC000847475564 1333773303 /nfs/dbraw/zinc/77/33/03/1333773303.db2.gz KMASPODVBTVBNQ-ZDUSSCGKSA-N 0 1 332.423 2.890 20 10 EFCDMN CCO/C=C/C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000847590969 1333962035 /nfs/dbraw/zinc/96/20/35/1333962035.db2.gz LTEWOCRVTSRUCV-HEWZJLJBSA-N 0 1 338.835 2.676 20 10 EFCDMN CCO/C=C/C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000847590969 1333962040 /nfs/dbraw/zinc/96/20/40/1333962040.db2.gz LTEWOCRVTSRUCV-HEWZJLJBSA-N 0 1 338.835 2.676 20 10 EFCDMN CCO/C=C/C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000847590969 1333962044 /nfs/dbraw/zinc/96/20/44/1333962044.db2.gz LTEWOCRVTSRUCV-HEWZJLJBSA-N 0 1 338.835 2.676 20 10 EFCDMN CCO/C=C\C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000847590972 1333962358 /nfs/dbraw/zinc/96/23/58/1333962358.db2.gz LTEWOCRVTSRUCV-VIHMKRCTSA-N 0 1 338.835 2.676 20 10 EFCDMN CCO/C=C\C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000847590972 1333962361 /nfs/dbraw/zinc/96/23/61/1333962361.db2.gz LTEWOCRVTSRUCV-VIHMKRCTSA-N 0 1 338.835 2.676 20 10 EFCDMN CCO/C=C\C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000847590972 1333962362 /nfs/dbraw/zinc/96/23/62/1333962362.db2.gz LTEWOCRVTSRUCV-VIHMKRCTSA-N 0 1 338.835 2.676 20 10 EFCDMN Cc1cn2c(nc(CN[C@@H](C)c3ccc(N(C)C)cc3)cc2=O)s1 ZINC001354627728 1334422560 /nfs/dbraw/zinc/42/25/60/1334422560.db2.gz XYEXSURPGAJWOA-ZDUSSCGKSA-N 0 1 342.468 2.981 20 10 EFCDMN CC(C)(C)OC(=O)NOCCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC001355362157 1334754933 /nfs/dbraw/zinc/75/49/33/1334754933.db2.gz JGPPXFDIGASFAR-UHFFFAOYSA-N 0 1 330.812 2.982 20 10 EFCDMN CCc1cccc(C[N@@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1O ZINC000848913313 1334981903 /nfs/dbraw/zinc/98/19/03/1334981903.db2.gz UBDVXMDUFIRNTJ-GFCCVEGCSA-N 0 1 344.377 2.845 20 10 EFCDMN CCc1cccc(C[N@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1O ZINC000848913313 1334981906 /nfs/dbraw/zinc/98/19/06/1334981906.db2.gz UBDVXMDUFIRNTJ-GFCCVEGCSA-N 0 1 344.377 2.845 20 10 EFCDMN CCc1nc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)n[nH]1 ZINC000182248990 1426331376 /nfs/dbraw/zinc/33/13/76/1426331376.db2.gz ALCRVQBXWFVGAL-UHFFFAOYSA-N 0 1 334.383 2.899 20 10 EFCDMN CCc1n[nH]c(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)n1 ZINC000182248990 1426331381 /nfs/dbraw/zinc/33/13/81/1426331381.db2.gz ALCRVQBXWFVGAL-UHFFFAOYSA-N 0 1 334.383 2.899 20 10 EFCDMN CC[C@@H]([NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1O ZINC000825146184 1426945860 /nfs/dbraw/zinc/94/58/60/1426945860.db2.gz ABYIYUJVQKHFQU-OAHLLOKOSA-N 0 1 339.399 2.822 20 10 EFCDMN CCN(C)c1ccc(C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736510470 1441988705 /nfs/dbraw/zinc/98/87/05/1441988705.db2.gz XFMPJKJACKRPNN-UHFFFAOYSA-N 0 1 336.443 2.955 20 10 EFCDMN c1cc(C[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc2c1OCC2 ZINC000826518805 1447227051 /nfs/dbraw/zinc/22/70/51/1447227051.db2.gz YJCQGBACZHPEOO-SFHVURJKSA-N 0 1 347.422 2.969 20 10 EFCDMN CN(C)c1ccc(C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821610938 1450251220 /nfs/dbraw/zinc/25/12/20/1450251220.db2.gz KWSNUCWNTMIPQA-UHFFFAOYSA-N 0 1 328.445 2.626 20 10 EFCDMN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000160162250 712907708 /nfs/dbraw/zinc/90/77/08/712907708.db2.gz WXOPJPMCCRUMIY-GOSISDBHSA-N 0 1 332.492 2.543 20 10 EFCDMN Cc1cc(N(C)C)ccc1CNC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000160162250 712907710 /nfs/dbraw/zinc/90/77/10/712907710.db2.gz WXOPJPMCCRUMIY-GOSISDBHSA-N 0 1 332.492 2.543 20 10 EFCDMN COc1ccccc1/C=C1/SC(=S)N(C2CCN(C)CC2)C1=O ZINC000255027981 713314156 /nfs/dbraw/zinc/31/41/56/713314156.db2.gz FAQAWBRYFQDNTE-RVDMUPIBSA-N 0 1 348.493 2.991 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)[C@H]3C[C@H]3C3CC3)cc2F)CC1 ZINC000177202541 717940546 /nfs/dbraw/zinc/94/05/46/717940546.db2.gz MJIHIVTXNRSUBN-IRXDYDNUSA-N 0 1 345.462 2.630 20 10 EFCDMN CN(C)c1ccc([C@H](CNC(=O)c2ccc(C=O)s2)N(C)C)cc1 ZINC000891246425 714133619 /nfs/dbraw/zinc/13/36/19/714133619.db2.gz NSDXGNOUWKRASI-INIZCTEOSA-N 0 1 345.468 2.659 20 10 EFCDMN CC(=O)c1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000891246367 714133681 /nfs/dbraw/zinc/13/36/81/714133681.db2.gz BOOIFHGQMYWJRJ-INIZCTEOSA-N 0 1 343.427 2.581 20 10 EFCDMN CN(C)c1ccc([C@@H](CNC(=O)CCCC(=O)C2CC2)N(C)C)cc1 ZINC000891250267 714141957 /nfs/dbraw/zinc/14/19/57/714141957.db2.gz WEKFSEJOWFBGDH-GOSISDBHSA-N 0 1 345.487 2.621 20 10 EFCDMN CCCC[N@@H+](C)Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-] ZINC000124421308 715388916 /nfs/dbraw/zinc/38/89/16/715388916.db2.gz SSQRXMPWBPYKHC-UHFFFAOYSA-N 0 1 334.460 2.659 20 10 EFCDMN CCC(CC)NC(=O)[C@@H](C)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466729 716197446 /nfs/dbraw/zinc/19/74/46/716197446.db2.gz RVCHYLNETLYNJD-MRXNPFEDSA-N 0 1 347.503 2.901 20 10 EFCDMN CN(C)c1ccc(CNC(=O)C[N@@H+](C)CCCc2ccccc2)cc1 ZINC000052802651 716622024 /nfs/dbraw/zinc/62/20/24/716622024.db2.gz JDHIZXBNIXHQQS-UHFFFAOYSA-N 0 1 339.483 2.933 20 10 EFCDMN CN(C)c1ccc(CNC(=O)CN(C)CCCc2ccccc2)cc1 ZINC000052802651 716622027 /nfs/dbraw/zinc/62/20/27/716622027.db2.gz JDHIZXBNIXHQQS-UHFFFAOYSA-N 0 1 339.483 2.933 20 10 EFCDMN CCOC(=O)[C@@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000896961848 723916082 /nfs/dbraw/zinc/91/60/82/723916082.db2.gz FRMCKLMZUZQETF-LLVKDONJSA-N 0 1 328.206 2.540 20 10 EFCDMN C[C@H]1CCC[C@@]1(C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000893607877 717371859 /nfs/dbraw/zinc/37/18/59/717371859.db2.gz MDXCBIUHKROJFO-OXJNMPFZSA-N 0 1 329.488 2.881 20 10 EFCDMN CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000840891458 718941763 /nfs/dbraw/zinc/94/17/63/718941763.db2.gz TYNYETPDQZHSKS-VHSXEESVSA-N 0 1 329.238 2.718 20 10 EFCDMN COc1ccc(CNCc2cn3c(cccc3C)n2)c(O)c1OC ZINC000892880479 719254677 /nfs/dbraw/zinc/25/46/77/719254677.db2.gz ARODZOIWDKDNQF-UHFFFAOYSA-N 0 1 327.384 2.655 20 10 EFCDMN COc1ccc(CNCc2cn3ccc(C)cc3n2)c(O)c1OC ZINC000892934765 719289744 /nfs/dbraw/zinc/28/97/44/719289744.db2.gz BSAIANQFFIKPGH-UHFFFAOYSA-N 0 1 327.384 2.655 20 10 EFCDMN CN(C)[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(F)c1 ZINC000180605362 719954567 /nfs/dbraw/zinc/95/45/67/719954567.db2.gz FCZAUJKDJWXANS-DYLHUKMJSA-N 0 1 344.386 2.669 20 10 EFCDMN COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000840975114 719957976 /nfs/dbraw/zinc/95/79/76/719957976.db2.gz KSBCNHYKRKXLQT-HNNXBMFYSA-N 0 1 342.233 2.930 20 10 EFCDMN COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000840975114 719957978 /nfs/dbraw/zinc/95/79/78/719957978.db2.gz KSBCNHYKRKXLQT-HNNXBMFYSA-N 0 1 342.233 2.930 20 10 EFCDMN CN(C)c1ccc(CNC(=O)CSc2nc(C(C)(C)C)n[nH]2)cc1 ZINC000144138228 724648041 /nfs/dbraw/zinc/64/80/41/724648041.db2.gz NOWHQGUAPFMDPU-UHFFFAOYSA-N 0 1 347.488 2.577 20 10 EFCDMN NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000893863734 720129750 /nfs/dbraw/zinc/12/97/50/720129750.db2.gz MMQKQYLIPXEKMP-MRVPVSSYSA-N 0 1 347.640 2.505 20 10 EFCDMN CC[N@@H+](CCC(=O)OC)Cc1cc(Br)cc(F)c1[O-] ZINC000893968575 720188513 /nfs/dbraw/zinc/18/85/13/720188513.db2.gz AVGFQYJHNISJRA-UHFFFAOYSA-N 0 1 334.185 2.679 20 10 EFCDMN COC(=O)[C@H](C)C[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000893994528 720200288 /nfs/dbraw/zinc/20/02/88/720200288.db2.gz HLXKRFDUHWEDQU-MRVPVSSYSA-N 0 1 334.185 2.535 20 10 EFCDMN COC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000893994529 720200841 /nfs/dbraw/zinc/20/08/41/720200841.db2.gz HLXKRFDUHWEDQU-QMMMGPOBSA-N 0 1 334.185 2.535 20 10 EFCDMN CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000893983633 720204250 /nfs/dbraw/zinc/20/42/50/720204250.db2.gz DILQHZRLEBZECB-GFCCVEGCSA-N 0 1 326.387 2.799 20 10 EFCDMN CC[C@@H](C)c1nc([C@@H](C)NCc2ccc(OC)c(OC)c2O)n[nH]1 ZINC000894010957 720212028 /nfs/dbraw/zinc/21/20/28/720212028.db2.gz YSXJHAABBTVXOH-GHMZBOCLSA-N 0 1 334.420 2.892 20 10 EFCDMN CC[C@@H](C)c1nc([C@H](C)NCc2ccc(OC)c(OC)c2O)n[nH]1 ZINC000894010959 720212102 /nfs/dbraw/zinc/21/21/02/720212102.db2.gz YSXJHAABBTVXOH-MNOVXSKESA-N 0 1 334.420 2.892 20 10 EFCDMN CCO[C@H](C)c1noc(CN(C)Cc2cc(F)cc(F)c2O)n1 ZINC000894065449 720260463 /nfs/dbraw/zinc/26/04/63/720260463.db2.gz VNKJAWCBLBIDJS-SECBINFHSA-N 0 1 327.331 2.783 20 10 EFCDMN CC[C@@H](F)CN1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028344861 720530221 /nfs/dbraw/zinc/53/02/21/720530221.db2.gz QCQJAPAQBOKXRU-HIFRSBDPSA-N 0 1 349.410 2.791 20 10 EFCDMN O=C(CSc1nc(Cc2ccccc2)n[nH]1)c1ccc(O)c(O)c1 ZINC000194595814 721041016 /nfs/dbraw/zinc/04/10/16/721041016.db2.gz KOTUPIKACAMINA-UHFFFAOYSA-N 0 1 341.392 2.782 20 10 EFCDMN Cc1cc(C)c(O)c(CN2CCN(C(=O)Cc3ccccc3)CC2)c1 ZINC000178858219 721202354 /nfs/dbraw/zinc/20/23/54/721202354.db2.gz YMQOQERXBCWQED-UHFFFAOYSA-N 0 1 338.451 2.896 20 10 EFCDMN C[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])[C@H](O)C(F)(F)F ZINC000877693612 721203040 /nfs/dbraw/zinc/20/30/40/721203040.db2.gz LXAFPACUIGPKAL-LDWIPMOCSA-N 0 1 328.128 2.556 20 10 EFCDMN COc1cc(C)cc(CN[C@@H](CS(C)(=O)=O)c2ccccc2)c1O ZINC000894472576 722746561 /nfs/dbraw/zinc/74/65/61/722746561.db2.gz YWVJLJBYFRPICT-INIZCTEOSA-N 0 1 349.452 2.585 20 10 EFCDMN O=C1OCC[C@@]12CCCN2Cc1cc(Br)cc(F)c1O ZINC000894496689 722759874 /nfs/dbraw/zinc/75/98/74/722759874.db2.gz DWVKQJHENNMHLE-AWEZNQCLSA-N 0 1 344.180 2.575 20 10 EFCDMN COc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(O)c1OC ZINC000894553967 722781238 /nfs/dbraw/zinc/78/12/38/722781238.db2.gz VYQJALXZBFZXJZ-YJBOKZPZSA-N 0 1 333.428 2.943 20 10 EFCDMN COc1ccc(CN2CC[C@@H](n3cc(Cl)cn3)C2)c(O)c1OC ZINC000894561797 722781844 /nfs/dbraw/zinc/78/18/44/722781844.db2.gz YVCQQQAJZRPCMJ-CYBMUJFWSA-N 0 1 337.807 2.706 20 10 EFCDMN O=C1CN(Cc2cc(Cl)cc(Br)c2O)CN1C1CC1 ZINC000894597386 722793826 /nfs/dbraw/zinc/79/38/26/722793826.db2.gz YWVGJOYIFPWSNB-UHFFFAOYSA-N 0 1 345.624 2.572 20 10 EFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000894748825 722833790 /nfs/dbraw/zinc/83/37/90/722833790.db2.gz XFTZEAUPBFQHIB-MWLCHTKSSA-N 0 1 325.277 2.663 20 10 EFCDMN CCN(CC(=O)N1CCCCCC1)Cc1cc(C)cc(OC)c1O ZINC000894754386 722836872 /nfs/dbraw/zinc/83/68/72/722836872.db2.gz AHAPCJDAJRQULM-UHFFFAOYSA-N 0 1 334.460 2.934 20 10 EFCDMN COc1cc(C)cc(CNCc2cc(C)nc(N3CCCC3)n2)c1O ZINC000894848819 722894072 /nfs/dbraw/zinc/89/40/72/722894072.db2.gz OWGQIEAEUZZVJA-UHFFFAOYSA-N 0 1 342.443 2.698 20 10 EFCDMN Oc1c(F)cc(Br)cc1CN1CC(OCC(F)F)C1 ZINC000894975140 723041099 /nfs/dbraw/zinc/04/10/99/723041099.db2.gz KXLXXGIWOVOODL-UHFFFAOYSA-N 0 1 340.139 2.760 20 10 EFCDMN COC(=O)[C@@H](CC1CC1)NCc1cc(Br)cc(F)c1O ZINC000894992860 723044534 /nfs/dbraw/zinc/04/45/34/723044534.db2.gz DHKWVXXXYSHBRI-GFCCVEGCSA-N 0 1 346.196 2.725 20 10 EFCDMN NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000895005327 723046685 /nfs/dbraw/zinc/04/66/85/723046685.db2.gz XQCKLCFAPLXCJK-SFHVURJKSA-N 0 1 330.815 2.675 20 10 EFCDMN NC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000895005327 723046687 /nfs/dbraw/zinc/04/66/87/723046687.db2.gz XQCKLCFAPLXCJK-SFHVURJKSA-N 0 1 330.815 2.675 20 10 EFCDMN COc1ccc(N2CCC(NC(=O)[C@@H]3CCN3C(C)(C)C)CC2)cc1 ZINC000896086747 723124966 /nfs/dbraw/zinc/12/49/66/723124966.db2.gz IFZNSOUMVZCLIE-SFHVURJKSA-N 0 1 345.487 2.653 20 10 EFCDMN CCCN(CC(=O)Nc1c(C)nn(C)c1C)Cc1ccccc1O ZINC000727831170 723186666 /nfs/dbraw/zinc/18/66/66/723186666.db2.gz LQFLBTMGHPQNCK-UHFFFAOYSA-N 0 1 330.432 2.593 20 10 EFCDMN COc1ccc(N(C)CCN(C)Cc2cnn(C)c2C2CC2)cc1 ZINC000895154574 723478677 /nfs/dbraw/zinc/47/86/77/723478677.db2.gz ZAVNEZROAVSHHP-UHFFFAOYSA-N 0 1 328.460 2.874 20 10 EFCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCCOCC2)c1[O-] ZINC000728199171 723844596 /nfs/dbraw/zinc/84/45/96/723844596.db2.gz UEEVMVFSSQEYHV-UHFFFAOYSA-N 0 1 327.380 2.551 20 10 EFCDMN Cc1cccc([C@@H]2C(=O)NCCN2Cc2cc(F)cc(F)c2O)c1 ZINC000895191595 723855495 /nfs/dbraw/zinc/85/54/95/723855495.db2.gz MLAMWOGXVKWRRQ-MRXNPFEDSA-N 0 1 332.350 2.652 20 10 EFCDMN Oc1c(F)cc(F)cc1CN1CCn2ncc(Br)c2C1 ZINC000895282898 723984477 /nfs/dbraw/zinc/98/44/77/723984477.db2.gz OACVMKQRVUYXBI-UHFFFAOYSA-N 0 1 344.159 2.645 20 10 EFCDMN C[C@H]1C[N@@H+](Cc2cc(Br)cc(F)c2[O-])C[C@]1(C)CO ZINC000895345474 724053670 /nfs/dbraw/zinc/05/36/70/724053670.db2.gz USLSGUXCMNQBML-LKFCYVNXSA-N 0 1 332.213 2.744 20 10 EFCDMN C[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C[C@H]1CO ZINC000895376263 724087495 /nfs/dbraw/zinc/08/74/95/724087495.db2.gz HRJDCKHMKLWCLP-ONGXEEELSA-N 0 1 332.213 2.744 20 10 EFCDMN C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C[C@@H]1CO ZINC000895376262 724087562 /nfs/dbraw/zinc/08/75/62/724087562.db2.gz HRJDCKHMKLWCLP-MWLCHTKSSA-N 0 1 332.213 2.744 20 10 EFCDMN COc1cc(C)cc(CN2CCN(Cc3ccc(O)cc3)CC2)c1O ZINC000895451326 724139975 /nfs/dbraw/zinc/13/99/75/724139975.db2.gz IBVZBOMGKHSMKD-UHFFFAOYSA-N 0 1 342.439 2.733 20 10 EFCDMN CCO/C=C/[C@](O)(C[NH2+]Cc1c([O-])cccc1Cl)C(F)(F)F ZINC000895707706 724266693 /nfs/dbraw/zinc/26/66/93/724266693.db2.gz MLQDLOWEUNTADU-YBJDMEARSA-N 0 1 339.741 2.979 20 10 EFCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000895835600 724342588 /nfs/dbraw/zinc/34/25/88/724342588.db2.gz FIKZEVUCROKLAU-LBPRGKRZSA-N 0 1 327.705 2.931 20 10 EFCDMN Cc1cc(Br)cc(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c1O ZINC000840998520 725527333 /nfs/dbraw/zinc/52/73/33/725527333.db2.gz HTCJANXVPGIEJJ-AWEZNQCLSA-N 0 1 328.206 2.760 20 10 EFCDMN NC(=O)N=Nc1ccc(C(=O)N[C@]23CCC[C@H]2N(CCF)CC3)cc1 ZINC000992547843 725956309 /nfs/dbraw/zinc/95/63/09/725956309.db2.gz LYEYWTXNIVUYQL-PBHICJAKSA-N 0 1 347.394 2.545 20 10 EFCDMN C[C@@H](C(=O)NCCc1ccc(F)cc1)N(C)Cc1ccccc1O ZINC000731843124 726941462 /nfs/dbraw/zinc/94/14/62/726941462.db2.gz XPQRFXSPUDCOET-AWEZNQCLSA-N 0 1 330.403 2.711 20 10 EFCDMN COCCO[C@@H]1CCCN(Cc2cc(Br)ccc2O)C1 ZINC000802653072 727121830 /nfs/dbraw/zinc/12/18/30/727121830.db2.gz XELNKFNETPPFCK-CQSZACIVSA-N 0 1 344.249 2.782 20 10 EFCDMN Cc1[nH+]c(N(Cc2ccccc2O)C[C@H]2CCCO2)ccc1C(=O)[O-] ZINC000910337141 727432045 /nfs/dbraw/zinc/43/20/45/727432045.db2.gz YHXZBKBXQGSUNH-OAHLLOKOSA-N 0 1 342.395 2.979 20 10 EFCDMN CC(C)C[C@H]1C[N@@H+](C)CCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000910375132 727435537 /nfs/dbraw/zinc/43/55/37/727435537.db2.gz PAYAAWNXSFZGDX-PKYBCLHXSA-N 0 1 347.415 2.859 20 10 EFCDMN CC[C@@H]1C[N@@H+](CC)CCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000910375731 727435786 /nfs/dbraw/zinc/43/57/86/727435786.db2.gz ROKQFLNYLQAAMB-IQCBXXCUSA-N 0 1 333.388 2.613 20 10 EFCDMN CCCC(=O)NC1CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000917452595 727809620 /nfs/dbraw/zinc/80/96/20/727809620.db2.gz UXHWGPBZLGGTOM-UHFFFAOYSA-N 0 1 327.428 2.821 20 10 EFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)c1[O-] ZINC000183160871 727980374 /nfs/dbraw/zinc/98/03/74/727980374.db2.gz IJYPYJZIGQGTAM-BXKMTCNYSA-N 0 1 349.427 2.943 20 10 EFCDMN CC(=O)c1cc(F)cc(CN[C@@H](C[S@@](C)=O)c2ccccc2)c1O ZINC000183160871 727980378 /nfs/dbraw/zinc/98/03/78/727980378.db2.gz IJYPYJZIGQGTAM-BXKMTCNYSA-N 0 1 349.427 2.943 20 10 EFCDMN CCN(CC(=O)NCC(C)C)Cc1cc(Br)ccc1O ZINC000076118540 727994813 /nfs/dbraw/zinc/99/48/13/727994813.db2.gz FPFHNLQBZBPMPA-UHFFFAOYSA-N 0 1 343.265 2.749 20 10 EFCDMN CCN(CC(=O)N(CC)CC)Cc1cc(Br)ccc1O ZINC000076118439 727998595 /nfs/dbraw/zinc/99/85/95/727998595.db2.gz KVCXIXARXXMGKN-UHFFFAOYSA-N 0 1 343.265 2.845 20 10 EFCDMN COc1cccc(CNCc2ccc(N3CCSCC3)cc2)n1 ZINC000190789994 728058628 /nfs/dbraw/zinc/05/86/28/728058628.db2.gz WTBQZLSLKWQUSP-UHFFFAOYSA-N 0 1 329.469 2.933 20 10 EFCDMN CCN(CC(=O)NCc1ccc(F)cc1)Cc1cc(OC)ccc1O ZINC000183517335 728143188 /nfs/dbraw/zinc/14/31/88/728143188.db2.gz OXXRADAOKVVVPU-UHFFFAOYSA-N 0 1 346.402 2.678 20 10 EFCDMN C[C@H](NCc1cccc(Br)c1O)C(=O)OC(C)(C)C ZINC000158020481 728274803 /nfs/dbraw/zinc/27/48/03/728274803.db2.gz JPBPKVCVTMUHMM-VIFPVBQESA-N 0 1 330.222 2.975 20 10 EFCDMN CC[C@@H]([NH2+]CCN(C)CCOC)c1cc(Br)ccc1[O-] ZINC000061375540 728515247 /nfs/dbraw/zinc/51/52/47/728515247.db2.gz WECIDWVQGGWOIL-CQSZACIVSA-N 0 1 345.281 2.774 20 10 EFCDMN COc1ccc(O)c(CNC(=O)NC[C@@H](c2cccs2)N(C)C)c1 ZINC000172064109 728564254 /nfs/dbraw/zinc/56/42/54/728564254.db2.gz CLPSEJPJTVSYLD-AWEZNQCLSA-N 0 1 349.456 2.564 20 10 EFCDMN CN(C)[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000180954750 729773234 /nfs/dbraw/zinc/77/32/34/729773234.db2.gz XJFHIAPRLVULDT-WJXUGBSRSA-N 0 1 344.386 2.669 20 10 EFCDMN COc1ccc(N2CC[NH+]([C@H](C)c3ccc(C(=O)[O-])o3)CC2)cc1 ZINC000325659619 971234168 /nfs/dbraw/zinc/23/41/68/971234168.db2.gz HLBLQISQFDVFTJ-CYBMUJFWSA-N 0 1 330.384 2.870 20 10 EFCDMN O=C([O-])C[N@@H+](Cc1cc(Br)cc(F)c1O)C1CCC1 ZINC001595072913 951614935 /nfs/dbraw/zinc/61/49/35/951614935.db2.gz YYLLUOHNYWLMEE-UHFFFAOYSA-N 0 1 332.169 2.733 20 10 EFCDMN O=C([O-])C[N@H+](Cc1cc(Br)cc(F)c1O)C1CCC1 ZINC001595072913 951614939 /nfs/dbraw/zinc/61/49/39/951614939.db2.gz YYLLUOHNYWLMEE-UHFFFAOYSA-N 0 1 332.169 2.733 20 10 EFCDMN COC1CCN(c2ccc(C[N@H+]3CC[C@](C)(C(=O)[O-])C3)cc2)CC1 ZINC000846273987 955705561 /nfs/dbraw/zinc/70/55/61/955705561.db2.gz CAGCIOYZEOGVBY-IBGZPJMESA-N 0 1 332.444 2.598 20 10 EFCDMN CC[N@@H+](Cc1cc(Br)ccc1O)[C@H](C(=O)[O-])C1CC1 ZINC000873641799 956069956 /nfs/dbraw/zinc/06/99/56/956069956.db2.gz ZXSVBWOMCILMOD-ZDUSSCGKSA-N 0 1 328.206 2.840 20 10 EFCDMN CC[C@H](C)[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)C(=O)[O-] ZINC001262162759 957272663 /nfs/dbraw/zinc/27/26/63/957272663.db2.gz XLZVZLLFFHTXMI-CPCISQLKSA-N 0 1 334.185 2.883 20 10 EFCDMN CC(C)[N@@H+](Cc1c(C(=O)[O-])cnn1C)Cc1ccc(N(C)C)cc1 ZINC001588920094 962365434 /nfs/dbraw/zinc/36/54/34/962365434.db2.gz AICJJSPVSMTBMZ-UHFFFAOYSA-N 0 1 330.432 2.595 20 10 EFCDMN C[C@H]1C[N@@H+](Cc2c(O)cccc2Br)CC[C@@H]1C(=O)[O-] ZINC000706647728 969018149 /nfs/dbraw/zinc/01/81/49/969018149.db2.gz RQSOUSAABYUOHS-UWVGGRQHSA-N 0 1 328.206 2.697 20 10 EFCDMN O=C([O-])[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1c(O)cccc1Br ZINC000706649733 977357147 /nfs/dbraw/zinc/35/71/47/977357147.db2.gz VGPBARAYDLBGRH-BHDSKKPTSA-N 0 1 340.217 2.840 20 10 EFCDMN C[C@H]1[C@H](C(=O)[O-])CC[N@@H+]1Cc1cc(Br)cc(F)c1O ZINC000715758598 977781445 /nfs/dbraw/zinc/78/14/45/977781445.db2.gz DDQLUTVQWJVSSP-OIBJUYFYSA-N 0 1 332.169 2.589 20 10 EFCDMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1cc(Br)cc(F)c1O ZINC000715758598 977781454 /nfs/dbraw/zinc/78/14/54/977781454.db2.gz DDQLUTVQWJVSSP-OIBJUYFYSA-N 0 1 332.169 2.589 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCc3cccc(C(=O)[O-])c3C2)c1O ZINC000846274744 979441714 /nfs/dbraw/zinc/44/17/14/979441714.db2.gz ACZFTRFGSPUEIP-UHFFFAOYSA-N 0 1 343.354 2.990 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCc3cccc(C(=O)[O-])c3C2)c1O ZINC000846274744 979441719 /nfs/dbraw/zinc/44/17/19/979441719.db2.gz ACZFTRFGSPUEIP-UHFFFAOYSA-N 0 1 343.354 2.990 20 10 EFCDMN CN(C)c1ccc(C[N@@H+](C)Cc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000846280586 979449880 /nfs/dbraw/zinc/44/98/80/979449880.db2.gz NLMKRIORKCNSFV-UHFFFAOYSA-N 0 1 328.412 2.848 20 10 EFCDMN CN1CCN(c2ccc(C[NH+]3CCC(CCC(=O)[O-])CC3)cc2)CC1 ZINC000854241488 979606874 /nfs/dbraw/zinc/60/68/74/979606874.db2.gz NJKWQVCWEQZOPS-UHFFFAOYSA-N 0 1 345.487 2.515 20 10 EFCDMN COC1CCN(c2ccc(C[N@H+]3C[C@@H](C)[C@](C)(C(=O)[O-])C3)cc2)CC1 ZINC000872160613 980047159 /nfs/dbraw/zinc/04/71/59/980047159.db2.gz ITLVXICPUXUQKV-FOIQADDNSA-N 0 1 346.471 2.844 20 10 EFCDMN Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000901789714 980520624 /nfs/dbraw/zinc/52/06/24/980520624.db2.gz NIBMPQMLPHKEDD-OAHLLOKOSA-N 0 1 330.350 2.900 20 10 EFCDMN CO[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@H](C(=O)[O-])C1 ZINC000902031221 980702186 /nfs/dbraw/zinc/70/21/86/980702186.db2.gz CWIWRUPHRJIPTB-MSOLQXFVSA-N 0 1 332.444 2.741 20 10 EFCDMN CCN(CC)c1ccc(C[N@H+]2CC[C@H](OC)C[C@@H]2C(=O)[O-])cc1F ZINC000902033082 980704876 /nfs/dbraw/zinc/70/48/76/980704876.db2.gz OLGPUYSMWJKOHA-WMLDXEAASA-N 0 1 338.423 2.736 20 10 EFCDMN CN(C)c1ccc(C[N@H+]2CC[C@H](C(=O)[O-])C[C@H]2[C@@H]2CCCO2)cc1 ZINC000903940454 981059959 /nfs/dbraw/zinc/05/99/59/981059959.db2.gz FMOHBOVXXDEDJF-SZMVWBNQSA-N 0 1 332.444 2.597 20 10 EFCDMN CC[C@@](C)(C(=O)[O-])[N@H+](Cc1cc(OC)c(OC)cc1O)CC1CC1 ZINC001594788334 981835284 /nfs/dbraw/zinc/83/52/84/981835284.db2.gz VBTPHCFKHWGQSU-SFHVURJKSA-N 0 1 337.416 2.875 20 10 EFCDMN CCCN(CCC)c1ccc(C[N@H+]2CCC[C@H](O)[C@@H]2C(=O)[O-])cc1 ZINC001595877573 982865794 /nfs/dbraw/zinc/86/57/94/982865794.db2.gz GYQCJBXPCADCET-ZWKOTPCHSA-N 0 1 334.460 2.723 20 10 EFCDMN CCO[C@@H](C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O)C1CC1 ZINC001596784622 985250147 /nfs/dbraw/zinc/25/01/47/985250147.db2.gz RQPKUPUGBCDKHT-HNNXBMFYSA-N 0 1 327.808 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/nfs/dbraw/zinc/79/65/11/1111796511.db2.gz SAJYYDHXDLLEJC-MRXNPFEDSA-N 0 1 344.789 2.735 20 10 EFCDMN CC(C)(C)NC(=O)CC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691502568 1111955269 /nfs/dbraw/zinc/95/52/69/1111955269.db2.gz VJEFJMDVRYYADN-UHFFFAOYSA-N 0 1 329.238 2.549 20 10 EFCDMN CCN(CC)C(=O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000920762032 1112348088 /nfs/dbraw/zinc/34/80/88/1112348088.db2.gz XRURDEQBPYWVHR-UHFFFAOYSA-N 0 1 348.447 2.543 20 10 EFCDMN COc1ccc(CN2CCN(Cc3ccccc3)CC2)c(O)c1OC ZINC000038542430 213213662 /nfs/dbraw/zinc/21/36/62/213213662.db2.gz SYYDYQMUKFERQR-UHFFFAOYSA-N 0 1 342.439 2.727 20 10 EFCDMN CC[C@H]([NH2+]C[C@H]1COCCO1)c1cc(Br)ccc1[O-] ZINC000038060458 213199844 /nfs/dbraw/zinc/19/98/44/213199844.db2.gz ATCWMASNWQFXQG-AAEUAGOBSA-N 0 1 330.222 2.611 20 10 EFCDMN CC[C@H]([NH2+]CCC(=O)N(C)C)c1cc(Br)ccc1[O-] ZINC000037751565 213166272 /nfs/dbraw/zinc/16/62/72/213166272.db2.gz LIQVEBNEDNEDQR-LBPRGKRZSA-N 0 1 329.238 2.674 20 10 EFCDMN c1cnc(N2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)cn1 ZINC000157882275 239001376 /nfs/dbraw/zinc/00/13/76/239001376.db2.gz JOCVPDMQBVARLT-UHFFFAOYSA-N 0 1 337.471 2.789 20 10 EFCDMN Cc1nccnc1[C@@H](C)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000187822837 239731783 /nfs/dbraw/zinc/73/17/83/239731783.db2.gz BCGHBQGKVYWMME-MRXNPFEDSA-N 0 1 340.471 2.845 20 10 EFCDMN Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1O ZINC000194737088 240173252 /nfs/dbraw/zinc/17/32/52/240173252.db2.gz AEYXQRPATUUEGL-MRXNPFEDSA-N 0 1 340.423 2.658 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)N3CC[C@@H](C)C3)cc2F)CC1 ZINC000261478417 240315064 /nfs/dbraw/zinc/31/50/64/240315064.db2.gz ZDICFAHIGJMVFE-OAHLLOKOSA-N 0 1 348.466 2.519 20 10 EFCDMN c1cc(CNCc2ccc3c(c2)CCO3)c(OC[C@H]2CCOC2)cn1 ZINC000288468886 241013853 /nfs/dbraw/zinc/01/38/53/241013853.db2.gz ORKNQMQGPXZGPH-INIZCTEOSA-N 0 1 340.423 2.722 20 10 EFCDMN Cc1cnn([C@H]2CC[N@@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)c1 ZINC000290891578 241022148 /nfs/dbraw/zinc/02/21/48/241022148.db2.gz LJSWWVRKFYYSQN-ZDUSSCGKSA-N 0 1 336.779 2.906 20 10 EFCDMN C[C@H](NCc1n[nH]c(C2CC2)n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000296391581 241085019 /nfs/dbraw/zinc/08/50/19/241085019.db2.gz KCFYVMTWQOZHGB-LBPRGKRZSA-N 0 1 345.422 2.509 20 10 EFCDMN CN(C)[C@H](CNC(=O)NCc1ccccc1O)c1ccc(F)cc1 ZINC000299555746 241181105 /nfs/dbraw/zinc/18/11/05/241181105.db2.gz YQMRHESGJIAYJD-MRXNPFEDSA-N 0 1 331.391 2.633 20 10 EFCDMN CCN1CCN(c2ccc(CNc3nc(C)cnc3C)cc2F)CC1 ZINC000302222240 241191357 /nfs/dbraw/zinc/19/13/57/241191357.db2.gz MSRQVSURUOHSHI-UHFFFAOYSA-N 0 1 343.450 2.987 20 10 EFCDMN O=C1NCCN(Cc2c(O)ccc(Cl)c2F)[C@H]1c1cccs1 ZINC000364513451 242300419 /nfs/dbraw/zinc/30/04/19/242300419.db2.gz ONOGIQSUDVYIDT-AWEZNQCLSA-N 0 1 340.807 2.919 20 10 EFCDMN COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000113318490 544569191 /nfs/dbraw/zinc/56/91/91/544569191.db2.gz GQAYGSRWIIOZCS-INIZCTEOSA-N 0 1 337.803 2.886 20 10 EFCDMN COc1cc(C[NH2+]Cc2c([O-])cccc2Cl)ccc1OCCO ZINC000113325381 544569713 /nfs/dbraw/zinc/56/97/13/544569713.db2.gz ZKADTYYEFOYYSP-UHFFFAOYSA-N 0 1 337.803 2.715 20 10 EFCDMN CS(=O)(=O)Cc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000113325051 544569744 /nfs/dbraw/zinc/56/97/44/544569744.db2.gz JLBRGDLFPUDZKX-UHFFFAOYSA-N 0 1 339.844 2.880 20 10 EFCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000113327603 544569965 /nfs/dbraw/zinc/56/99/65/544569965.db2.gz AQTVNKKKGSLLKB-GFCCVEGCSA-N 0 1 325.767 2.714 20 10 EFCDMN CN(C)c1ccc(CNC[C@@H](O)C(F)(F)F)c(C(F)(F)F)c1 ZINC000280040431 276883413 /nfs/dbraw/zinc/88/34/13/276883413.db2.gz VHSZLEOAYVPLTI-LLVKDONJSA-N 0 1 330.272 2.784 20 10 EFCDMN C[C@H](C[N@@H+](C)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)C1CCCCC1 ZINC000530172863 317070259 /nfs/dbraw/zinc/07/02/59/317070259.db2.gz KNQVUEKHNWKZRC-GFCCVEGCSA-N 0 1 346.431 2.781 20 10 EFCDMN CC(C)C(=O)NCC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000184869026 473259099 /nfs/dbraw/zinc/25/90/99/473259099.db2.gz POZBXKLPPSWEAC-SNVBAGLBSA-N 0 1 329.238 2.578 20 10 EFCDMN CC(C)(C)OC(=O)NCC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000227600745 474246208 /nfs/dbraw/zinc/24/62/08/474246208.db2.gz QZYNYPYQUHALID-UHFFFAOYSA-N 0 1 345.237 2.769 20 10 EFCDMN c1nc2c(ncnc2NCc2ccc(N3CCSCC3)cc2)[nH]1 ZINC000044976740 472360629 /nfs/dbraw/zinc/36/06/29/472360629.db2.gz QVDLZUYZWKXKBC-UHFFFAOYSA-N 0 1 326.429 2.518 20 10 EFCDMN CCOc1cccc(CN2CCC[C@@H]2C(=O)NCc2ccco2)c1O ZINC000128186521 472415124 /nfs/dbraw/zinc/41/51/24/472415124.db2.gz SGJBJMYFTHRRKC-MRXNPFEDSA-N 0 1 344.411 2.665 20 10 EFCDMN CC[C@@H]([NH2+]CCCNC(C)=O)c1cc(Br)ccc1[O-] ZINC000154991045 472494391 /nfs/dbraw/zinc/49/43/91/472494391.db2.gz HJLBKHPZJQTFNF-CYBMUJFWSA-N 0 1 329.238 2.722 20 10 EFCDMN CC(C)N(C(=O)CN(C)Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC000070758260 472509049 /nfs/dbraw/zinc/50/90/49/472509049.db2.gz SXHBXFBFODRNAQ-UHFFFAOYSA-N 0 1 347.503 2.600 20 10 EFCDMN CC1CCN(C(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000070975905 472530926 /nfs/dbraw/zinc/53/09/26/472530926.db2.gz JITKCFILLVLVIY-SFHVURJKSA-N 0 1 346.471 2.632 20 10 EFCDMN Oc1ccc(Br)cc1CN1CCS[C@H]2COCC[C@@H]21 ZINC000091855640 472816919 /nfs/dbraw/zinc/81/69/19/472816919.db2.gz VUDVMLNADFPHMY-JSGCOSHPSA-N 0 1 344.274 2.861 20 10 EFCDMN CCOc1cccc(CN2CCN(c3nc(C)cs3)CC2)c1O ZINC000133845360 472847631 /nfs/dbraw/zinc/84/76/31/472847631.db2.gz XGSKBCUKVVNYIA-UHFFFAOYSA-N 0 1 333.457 2.878 20 10 EFCDMN C[N@@H+](Cc1cc(Br)ccc1[O-])CC1CC[NH+](C)CC1 ZINC000134006156 472864033 /nfs/dbraw/zinc/86/40/33/472864033.db2.gz BXTRVQCRRREIQN-UHFFFAOYSA-N 0 1 327.266 2.928 20 10 EFCDMN C[N@H+](Cc1cc(Br)ccc1[O-])CC1CC[NH+](C)CC1 ZINC000134006156 472864040 /nfs/dbraw/zinc/86/40/40/472864040.db2.gz BXTRVQCRRREIQN-UHFFFAOYSA-N 0 1 327.266 2.928 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000079474241 472870921 /nfs/dbraw/zinc/87/09/21/472870921.db2.gz FIOJMVUIWXKRDF-CYBMUJFWSA-N 0 1 331.391 2.532 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000079474241 472870925 /nfs/dbraw/zinc/87/09/25/472870925.db2.gz FIOJMVUIWXKRDF-CYBMUJFWSA-N 0 1 331.391 2.532 20 10 EFCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000092218191 472877286 /nfs/dbraw/zinc/87/72/86/472877286.db2.gz LXVGVXYSLMZVIE-CQSZACIVSA-N 0 1 345.270 2.996 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)c3occc3C)cc2F)CC1 ZINC000106702846 472882515 /nfs/dbraw/zinc/88/25/15/472882515.db2.gz PEQDKPKXGMDWOA-UHFFFAOYSA-N 0 1 345.418 2.799 20 10 EFCDMN CCO[C@H](C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000158039130 472886220 /nfs/dbraw/zinc/88/62/20/472886220.db2.gz JLLISBMWBXKGOZ-DOMZBBRYSA-N 0 1 340.851 2.551 20 10 EFCDMN CO[C@@H](C)CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134261146 472890127 /nfs/dbraw/zinc/89/01/27/472890127.db2.gz YTJBWMMSKIOZRN-WFASDCNBSA-N 0 1 340.851 2.551 20 10 EFCDMN COc1ccc(CN(CCO)Cc2cc(C)ccc2O)c(OC)c1 ZINC000093363791 473096442 /nfs/dbraw/zinc/09/64/42/473096442.db2.gz LENKVENBQFBMIN-UHFFFAOYSA-N 0 1 331.412 2.712 20 10 EFCDMN CC[C@H](C)NC(=O)[C@@H](C)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466702 473109621 /nfs/dbraw/zinc/10/96/21/473109621.db2.gz PGZHNOOMKPZYLX-JKSUJKDBSA-N 0 1 333.476 2.511 20 10 EFCDMN CC[C@H](C)NC(=O)[C@H](C)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466707 473110170 /nfs/dbraw/zinc/11/01/70/473110170.db2.gz PGZHNOOMKPZYLX-HOTGVXAUSA-N 0 1 333.476 2.511 20 10 EFCDMN COc1ccc(N2CCCN([C@H](C)C(=O)NC3CCCC3)CC2)cc1 ZINC000052466266 473110280 /nfs/dbraw/zinc/11/02/80/473110280.db2.gz JOCNTWAVYZJPDG-MRXNPFEDSA-N 0 1 345.487 2.655 20 10 EFCDMN COc1ccc(N2CCCN([C@@H](C)C(=O)NC(C)(C)C)CC2)cc1 ZINC000052466384 473110420 /nfs/dbraw/zinc/11/04/20/473110420.db2.gz FSQAFZWQKLOLDE-HNNXBMFYSA-N 0 1 333.476 2.511 20 10 EFCDMN COc1cccc(CN2CCN(Cc3ccc(Cl)nc3)CC2)c1O ZINC000093512719 473113696 /nfs/dbraw/zinc/11/36/96/473113696.db2.gz JIZIZRBFQTXQIM-UHFFFAOYSA-N 0 1 347.846 2.767 20 10 EFCDMN CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cc(Cl)ccc1[O-])CC2 ZINC000093613674 473126094 /nfs/dbraw/zinc/12/60/94/473126094.db2.gz IOUHJWHLHXCWLD-HOTGVXAUSA-N 0 1 325.836 2.798 20 10 EFCDMN CCOc1cccc(CN(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1O ZINC000093646786 473130978 /nfs/dbraw/zinc/13/09/78/473130978.db2.gz NGMAHNAUUGUOBP-ZBFHGGJFSA-N 0 1 341.473 2.579 20 10 EFCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000093664697 473131897 /nfs/dbraw/zinc/13/18/97/473131897.db2.gz PFCMUOUFTISLMC-GFCCVEGCSA-N 0 1 345.270 2.853 20 10 EFCDMN C[C@H]1CCCCN1C(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000123482407 473146498 /nfs/dbraw/zinc/14/64/98/473146498.db2.gz KXDGKFVKKSRSBE-WMZOPIPTSA-N 0 1 346.471 2.774 20 10 EFCDMN COC(=O)c1coc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000111232939 473197652 /nfs/dbraw/zinc/19/76/52/473197652.db2.gz GPPXSANBSRRJMU-INIZCTEOSA-N 0 1 345.395 2.953 20 10 EFCDMN Cc1cccc(OCCNC(=O)[C@H](C)N(C)Cc2ccccc2O)c1 ZINC000111236085 473198256 /nfs/dbraw/zinc/19/82/56/473198256.db2.gz DIVHZMHYLHCOCE-INIZCTEOSA-N 0 1 342.439 2.716 20 10 EFCDMN C[C@@H]([NH2+]CCSCCCO)c1ccc(Br)cc1[O-] ZINC000185379102 473411037 /nfs/dbraw/zinc/41/10/37/473411037.db2.gz JVFYADIWHQHPCK-SNVBAGLBSA-N 0 1 334.279 2.921 20 10 EFCDMN COCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185467880 473434642 /nfs/dbraw/zinc/43/46/42/473434642.db2.gz RPHAUNKKYHPQMM-IINYFYTJSA-N 0 1 332.238 2.593 20 10 EFCDMN CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000185512010 473445955 /nfs/dbraw/zinc/44/59/55/473445955.db2.gz FKGZUQCNQGRLFD-VYUIOLGVSA-N 0 1 334.279 2.918 20 10 EFCDMN COc1ccc(O)c(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000114541969 473480952 /nfs/dbraw/zinc/48/09/52/473480952.db2.gz BUPUTYAAQKBFAK-SFHVURJKSA-N 0 1 340.423 2.682 20 10 EFCDMN CN(C)c1ccc(CN(C)C(=O)CN(C)Cc2ccccc2O)cc1 ZINC000171936926 473486129 /nfs/dbraw/zinc/48/61/29/473486129.db2.gz BXCGTQBUUAOEDS-UHFFFAOYSA-N 0 1 341.455 2.549 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)[C@H](C)C3CC3)cc2F)CC1 ZINC000178480361 473520290 /nfs/dbraw/zinc/52/02/90/473520290.db2.gz RTBAPBIGZBVRAB-CQSZACIVSA-N 0 1 333.451 2.630 20 10 EFCDMN COc1ccc(N2CCN(CCCNC(=O)CCC3CC3)CC2)cc1 ZINC000115010698 473528904 /nfs/dbraw/zinc/52/89/04/473528904.db2.gz LDGNCESUDYRKFR-UHFFFAOYSA-N 0 1 345.487 2.514 20 10 EFCDMN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000185957952 473558498 /nfs/dbraw/zinc/55/84/98/473558498.db2.gz BBDCBISEUVONNB-UHFFFAOYSA-N 0 1 349.394 2.577 20 10 EFCDMN C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cc(Cl)ccc1[O-] ZINC000186021404 473573479 /nfs/dbraw/zinc/57/34/79/473573479.db2.gz CCAKYJLDQUQCTK-LDYMZIIASA-N 0 1 336.741 2.859 20 10 EFCDMN CC(C)N1CC[C@H]([NH2+][C@H](C)c2cc(Br)ccc2[O-])C1=O ZINC000186047629 473578124 /nfs/dbraw/zinc/57/81/24/473578124.db2.gz VIOOWEILJQOGKE-MFKMUULPSA-N 0 1 341.249 2.815 20 10 EFCDMN COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000186356093 473658432 /nfs/dbraw/zinc/65/84/32/473658432.db2.gz TYRSRIBXJHHIEK-WFASDCNBSA-N 0 1 342.867 2.874 20 10 EFCDMN COc1ccc(O)c(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000179617062 473698222 /nfs/dbraw/zinc/69/82/22/473698222.db2.gz XAKTYZMNHUKDQQ-UHFFFAOYSA-N 0 1 342.439 2.869 20 10 EFCDMN COc1ccc(O)c(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000179780917 473726334 /nfs/dbraw/zinc/72/63/34/473726334.db2.gz FPBFXZNPIIAGPT-UHFFFAOYSA-N 0 1 343.383 2.631 20 10 EFCDMN COc1ccc(O)c(CN2CCCN(C(=O)c3ccsc3)CC2)c1 ZINC000179796233 473728678 /nfs/dbraw/zinc/72/86/78/473728678.db2.gz YNTDDHIJFRYZRM-UHFFFAOYSA-N 0 1 346.452 2.810 20 10 EFCDMN CC[C@@H]([NH2+]C[C@@H](C)N1CCN(C)CC1)c1cccc(Cl)c1[O-] ZINC000287695899 473736093 /nfs/dbraw/zinc/73/60/93/473736093.db2.gz NJWOSYQBBGSXTQ-CZUORRHYSA-N 0 1 325.884 2.722 20 10 EFCDMN Oc1c(Cl)cccc1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000180294519 473849178 /nfs/dbraw/zinc/84/91/78/473849178.db2.gz LMTWDMFXFVAYIT-UHFFFAOYSA-N 0 1 332.713 2.672 20 10 EFCDMN C[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1cc(Br)ccc1[O-] ZINC000282302178 474014623 /nfs/dbraw/zinc/01/46/23/474014623.db2.gz MLRPKDBNFKTPIO-DYBLOJMWSA-N 0 1 332.263 2.716 20 10 EFCDMN COCCCOCC[N@@H+](C)Cc1cc(Br)cc(C)c1O ZINC000181521045 474043004 /nfs/dbraw/zinc/04/30/04/474043004.db2.gz QPYKFKCREIRMQC-UHFFFAOYSA-N 0 1 346.265 2.948 20 10 EFCDMN CCCC[N@@H+](Cc1ccccc1O)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000282358972 474036146 /nfs/dbraw/zinc/03/61/46/474036146.db2.gz DBIKCJPGBSFBIE-QGZVFWFLSA-N 0 1 342.443 2.533 20 10 EFCDMN C[C@](O)(C[NH2+]Cc1cc(Br)ccc1[O-])C(F)(F)F ZINC000270487528 474138414 /nfs/dbraw/zinc/13/84/14/474138414.db2.gz KPDYVNVTXMMVNR-JTQLQIEISA-N 0 1 328.128 2.558 20 10 EFCDMN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CCCN2C)cc1 ZINC000264973158 474163128 /nfs/dbraw/zinc/16/31/28/474163128.db2.gz GQYBMLHACSILSK-IBGZPJMESA-N 0 1 341.455 2.969 20 10 EFCDMN CCOC1CC2(C1)CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C2 ZINC000289186171 474176808 /nfs/dbraw/zinc/17/68/08/474176808.db2.gz ANNZZNXJJXKMNS-UHFFFAOYSA-N 0 1 336.388 2.700 20 10 EFCDMN COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000289224611 474190131 /nfs/dbraw/zinc/19/01/31/474190131.db2.gz CRZRIPUUHCSDJK-ZDUSSCGKSA-N 0 1 337.725 2.973 20 10 EFCDMN COc1cccc(CN2CCN(c3ccc(F)c(OC)c3)CC2)c1O ZINC000282816031 474205429 /nfs/dbraw/zinc/20/54/29/474205429.db2.gz AKAKCOVFAVTYPK-UHFFFAOYSA-N 0 1 346.402 2.871 20 10 EFCDMN CC[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1cc(Br)ccc1[O-] ZINC000228058038 474247372 /nfs/dbraw/zinc/24/73/72/474247372.db2.gz ZKXLHSYHPGNDFY-DGFSRKRXSA-N 0 1 344.249 2.735 20 10 EFCDMN CC(C)c1nc([C@H](C)NC(=O)NCc2ccc(N(C)C)cc2)n[nH]1 ZINC000270751642 474248787 /nfs/dbraw/zinc/24/87/87/474248787.db2.gz YLNVBPVALWWXHQ-LBPRGKRZSA-N 0 1 330.436 2.555 20 10 EFCDMN CC(C)c1nc([C@H](C)NC(=O)NCc2ccc(N(C)C)c(F)c2)n[nH]1 ZINC000270795781 474268903 /nfs/dbraw/zinc/26/89/03/474268903.db2.gz WAIDQVYUFMAWOG-NSHDSACASA-N 0 1 348.426 2.694 20 10 EFCDMN NC(=O)[C@@H]1CCCCN1Cc1ccc(OCc2ccccc2)cc1O ZINC000182954127 474296019 /nfs/dbraw/zinc/29/60/19/474296019.db2.gz IISGKPFGRTZKEC-SFHVURJKSA-N 0 1 340.423 2.811 20 10 EFCDMN NC(=O)[C@H]1CCCCN1Cc1ccc(OCc2ccccc2)cc1O ZINC000182954107 474296169 /nfs/dbraw/zinc/29/61/69/474296169.db2.gz IISGKPFGRTZKEC-GOSISDBHSA-N 0 1 340.423 2.811 20 10 EFCDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000289560550 474324034 /nfs/dbraw/zinc/32/40/34/474324034.db2.gz IZIRJTRKEATCRX-AUTCDRCXSA-N 0 1 338.791 2.809 20 10 EFCDMN CN(C)C(=O)c1ccc(CN(Cc2ccc(N(C)C)cc2)C2CC2)[nH]1 ZINC000271050958 474385552 /nfs/dbraw/zinc/38/55/52/474385552.db2.gz PMIPCNBTBIAUAN-UHFFFAOYSA-N 0 1 340.471 2.947 20 10 EFCDMN CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000189408662 474388181 /nfs/dbraw/zinc/38/81/81/474388181.db2.gz GQCXXEZMVONFHT-ZJUUUORDSA-N 0 1 329.238 2.672 20 10 EFCDMN CN(C)c1ccc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1F ZINC000289821482 474443326 /nfs/dbraw/zinc/44/33/26/474443326.db2.gz TYBCTVFKURGZKW-STQMWFEESA-N 0 1 334.357 2.884 20 10 EFCDMN CN(Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000271216485 474445977 /nfs/dbraw/zinc/44/59/77/474445977.db2.gz XAHXMTRHLBUMTE-QGZVFWFLSA-N 0 1 336.501 2.543 20 10 EFCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000271418289 474537666 /nfs/dbraw/zinc/53/76/66/474537666.db2.gz LRACAAQNQHDFSF-ZDUSSCGKSA-N 0 1 342.233 2.930 20 10 EFCDMN CC[C@@H]([NH2+][C@H]1COC[C@@H]1OC)c1cc(Br)ccc1[O-] ZINC000290121090 474558286 /nfs/dbraw/zinc/55/82/86/474558286.db2.gz JJOKFVUEQQMUDZ-DYEKYZERSA-N 0 1 330.222 2.609 20 10 EFCDMN CNC(=O)OC[C@H]1CCCCN1Cc1cc(Cl)cc(OC)c1O ZINC000290167627 474560555 /nfs/dbraw/zinc/56/05/55/474560555.db2.gz MNVYPKKFTJYUIZ-CYBMUJFWSA-N 0 1 342.823 2.765 20 10 EFCDMN CC[C@@]1(CO)CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000190218113 474566139 /nfs/dbraw/zinc/56/61/39/474566139.db2.gz MSFRJZITCNAYEH-OAHLLOKOSA-N 0 1 328.796 2.938 20 10 EFCDMN C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000276647479 474567079 /nfs/dbraw/zinc/56/70/79/474567079.db2.gz YKSLYMOUQSINAI-BETUJISGSA-N 0 1 338.423 2.725 20 10 EFCDMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000276647479 474567086 /nfs/dbraw/zinc/56/70/86/474567086.db2.gz YKSLYMOUQSINAI-BETUJISGSA-N 0 1 338.423 2.725 20 10 EFCDMN C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCC(CO)CC1 ZINC000290345308 474567075 /nfs/dbraw/zinc/56/70/75/474567075.db2.gz FTQNQLTVLFVXKV-UHFFFAOYSA-N 0 1 328.796 2.937 20 10 EFCDMN C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000276647482 474567746 /nfs/dbraw/zinc/56/77/46/474567746.db2.gz YKSLYMOUQSINAI-CHWSQXEVSA-N 0 1 338.423 2.725 20 10 EFCDMN CC[NH+](CC)[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])c1ccco1 ZINC000276668390 474568092 /nfs/dbraw/zinc/56/80/92/474568092.db2.gz YZGWUMCJECTPJP-GFCCVEGCSA-N 0 1 336.363 2.643 20 10 EFCDMN O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1c(F)ccc(O)c1[O-] ZINC000276666224 474568626 /nfs/dbraw/zinc/56/86/26/474568626.db2.gz YQAUXXSDWQRZBS-UHFFFAOYSA-N 0 1 344.386 2.763 20 10 EFCDMN CCOCCOCC[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000190261419 474570875 /nfs/dbraw/zinc/57/08/75/474570875.db2.gz PAWUNLWBGVLZOC-UHFFFAOYSA-N 0 1 329.824 2.733 20 10 EFCDMN CCOCCOCC[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000190261419 474570881 /nfs/dbraw/zinc/57/08/81/474570881.db2.gz PAWUNLWBGVLZOC-UHFFFAOYSA-N 0 1 329.824 2.733 20 10 EFCDMN Cc1cccc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1O ZINC000190310314 474575730 /nfs/dbraw/zinc/57/57/30/474575730.db2.gz HDXAGJTWFLHYGC-NRFANRHFSA-N 0 1 340.467 2.769 20 10 EFCDMN Cc1cccc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1O ZINC000190310314 474575735 /nfs/dbraw/zinc/57/57/35/474575735.db2.gz HDXAGJTWFLHYGC-NRFANRHFSA-N 0 1 340.467 2.769 20 10 EFCDMN COc1cc(Cl)cc(CN2CCS[C@H]3COCC[C@@H]32)c1O ZINC000184702003 474589898 /nfs/dbraw/zinc/58/98/98/474589898.db2.gz BIYCNVYVYRWWBE-JSGCOSHPSA-N 0 1 329.849 2.761 20 10 EFCDMN CCN(CC)c1ccc(CN[C@H](c2nnc[nH]2)c2cccnc2)cc1 ZINC000284254658 474604198 /nfs/dbraw/zinc/60/41/98/474604198.db2.gz VXAKQNSHKWPBPG-SFHVURJKSA-N 0 1 336.443 2.925 20 10 EFCDMN COc1ccc2c(c1)C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC2 ZINC000278274776 474605718 /nfs/dbraw/zinc/60/57/18/474605718.db2.gz SBHSAVIXXQNBEX-UHFFFAOYSA-N 0 1 344.367 2.876 20 10 EFCDMN COc1ccc2c(c1)CN(Cc1ccc([N+](=O)[O-])c(OC)c1O)CC2 ZINC000278274776 474605724 /nfs/dbraw/zinc/60/57/24/474605724.db2.gz SBHSAVIXXQNBEX-UHFFFAOYSA-N 0 1 344.367 2.876 20 10 EFCDMN COc1c([O-])c(CN2CCC([NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000278296954 474606911 /nfs/dbraw/zinc/60/69/11/474606911.db2.gz VKUZKRYOXPNZCS-UHFFFAOYSA-N 0 1 349.431 2.759 20 10 EFCDMN CCC(CC)[N@@H+](CCOC)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278325673 474609286 /nfs/dbraw/zinc/60/92/86/474609286.db2.gz YPHRWISBIVKFPJ-UHFFFAOYSA-N 0 1 326.393 2.946 20 10 EFCDMN CCOCc1cc(CN[C@H](CC(N)=O)c2ccccc2)ccc1OC ZINC000292910609 474710572 /nfs/dbraw/zinc/71/05/72/474710572.db2.gz FKAXKTFUOMKRIJ-GOSISDBHSA-N 0 1 342.439 2.938 20 10 EFCDMN CCOCc1cc(CN[C@@H](CC(N)=O)c2ccccc2)ccc1OC ZINC000292910612 474710831 /nfs/dbraw/zinc/71/08/31/474710831.db2.gz FKAXKTFUOMKRIJ-SFHVURJKSA-N 0 1 342.439 2.938 20 10 EFCDMN COCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2[O-])C1 ZINC000273371172 474864715 /nfs/dbraw/zinc/86/47/15/474864715.db2.gz COAMEHXTKHVDCU-WCQYABFASA-N 0 1 343.265 2.526 20 10 EFCDMN COCCOCCC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000273426728 474891585 /nfs/dbraw/zinc/89/15/85/474891585.db2.gz ULXWNARYFYLYAG-LLVKDONJSA-N 0 1 332.238 2.858 20 10 EFCDMN C[C@@H]([NH2+]CCN1CCSCC1)c1cc(Br)ccc1[O-] ZINC000273559367 474962962 /nfs/dbraw/zinc/96/29/62/474962962.db2.gz HQNDERJOPXQLNT-LLVKDONJSA-N 0 1 345.306 2.854 20 10 EFCDMN C[C@@H](C[S@@](C)=O)N(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279556677 474980508 /nfs/dbraw/zinc/98/05/08/474980508.db2.gz AZRMLBKHSYYUEL-KPWVOAKYSA-N 0 1 336.423 2.970 20 10 EFCDMN CCN(C)C(=O)[C@@H](C)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000279775597 474991814 /nfs/dbraw/zinc/99/18/14/474991814.db2.gz AOMMLMIRHMVHKE-LLVKDONJSA-N 0 1 331.382 2.728 20 10 EFCDMN COC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000293555021 475037258 /nfs/dbraw/zinc/03/72/58/475037258.db2.gz LNPBRYMDDYWVQG-INIZCTEOSA-N 0 1 344.377 2.988 20 10 EFCDMN C[S@@](=O)C1(C[NH2+]Cc2cc(Br)ccc2[O-])CCC1 ZINC000280585393 475037164 /nfs/dbraw/zinc/03/71/64/475037164.db2.gz HXGVISLRJFMMDU-GOSISDBHSA-N 0 1 332.263 2.546 20 10 EFCDMN Cc1ccc([C@@H](NCc2ccccc2O)[C@H](C)S(C)(=O)=O)cc1 ZINC000280646694 475041532 /nfs/dbraw/zinc/04/15/32/475041532.db2.gz JDVMTVPQCHJZBW-KSSFIOAISA-N 0 1 333.453 2.965 20 10 EFCDMN COCc1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000268810304 475043834 /nfs/dbraw/zinc/04/38/34/475043834.db2.gz TVZTZQPMXZJGCX-UHFFFAOYSA-N 0 1 334.391 2.692 20 10 EFCDMN CC[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1cc(Br)ccc1[O-] ZINC000293789967 475053835 /nfs/dbraw/zinc/05/38/35/475053835.db2.gz UGGPDKCKPSCDIR-MBNYWOFBSA-N 0 1 344.249 2.735 20 10 EFCDMN CN(C)c1ccc(CN[C@@H](c2cccs2)c2nnc[nH]2)cc1F ZINC000293903344 475058364 /nfs/dbraw/zinc/05/83/64/475058364.db2.gz WNWWMPISFVOXLN-HNNXBMFYSA-N 0 1 331.420 2.951 20 10 EFCDMN COC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccc(N(C)C)cc2)C1 ZINC000286506657 475068158 /nfs/dbraw/zinc/06/81/58/475068158.db2.gz MPBSSQVOGXUXIP-HNNXBMFYSA-N 0 1 330.350 2.680 20 10 EFCDMN Cc1cc(O)c(C[NH+]2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1C ZINC000281131667 475082582 /nfs/dbraw/zinc/08/25/82/475082582.db2.gz CXOWWLACSBFUAE-UHFFFAOYSA-N 0 1 344.377 2.900 20 10 EFCDMN C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1Cc1cc(F)ccc1O ZINC000292712342 475164595 /nfs/dbraw/zinc/16/45/95/475164595.db2.gz DJIAEXJQTZMYNQ-BXKDBHETSA-N 0 1 334.313 2.563 20 10 EFCDMN CC[C@@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1cccc(Cl)c1[O-] ZINC000287572437 475200290 /nfs/dbraw/zinc/20/02/90/475200290.db2.gz GWQUXZRHCNYWNB-WMLDXEAASA-N 0 1 339.911 2.970 20 10 EFCDMN Cc1c2ccccc2n(C)c1CNC(=O)CN(C)[C@@H]1CCSC1 ZINC000348634985 475789707 /nfs/dbraw/zinc/78/97/07/475789707.db2.gz KNCJGQXFWVDABY-CQSZACIVSA-N 0 1 331.485 2.540 20 10 EFCDMN Cc1c2ccccc2n(C)c1CNC(=O)NCCN1CC=C(C)CC1 ZINC000349973984 476026410 /nfs/dbraw/zinc/02/64/10/476026410.db2.gz ZAEVHHXQOMFRMY-UHFFFAOYSA-N 0 1 340.471 2.938 20 10 EFCDMN CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1c(O)ccc(Cl)c1F ZINC000373812482 476430347 /nfs/dbraw/zinc/43/03/47/476430347.db2.gz MTDBUJGZFBJEJG-HNNXBMFYSA-N 0 1 348.805 2.858 20 10 EFCDMN CN(C)c1ccc(CN[C@@]2(CO)CCOc3ccccc32)cc1F ZINC000374150303 476456988 /nfs/dbraw/zinc/45/69/88/476456988.db2.gz XJSYRPGTHBOLLV-LJQANCHMSA-N 0 1 330.403 2.652 20 10 EFCDMN Cn1cc([C@@H]2C[C@H]2C(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000377092266 477638514 /nfs/dbraw/zinc/63/85/14/477638514.db2.gz XUIHXKFJGJARPZ-NWDGAFQWSA-N 0 1 340.210 2.852 20 10 EFCDMN Cc1c2ccccc2n(C)c1CNC(=O)N1CCN(CC(C)C)CC1 ZINC000472245881 478013917 /nfs/dbraw/zinc/01/39/17/478013917.db2.gz XLENXRGMPGRJQL-UHFFFAOYSA-N 0 1 342.487 2.970 20 10 EFCDMN Cc1c2ccccc2n(C)c1CNC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000472280757 478014544 /nfs/dbraw/zinc/01/45/44/478014544.db2.gz AZWIFSFZWBZPEH-LJQANCHMSA-N 0 1 342.487 2.968 20 10 EFCDMN CC[C@@H]1CN(C)CCN1C(=O)NCc1c(C)c2ccccc2n1C ZINC000521567299 478376765 /nfs/dbraw/zinc/37/67/65/478376765.db2.gz YDOUNDQOJJJYRQ-OAHLLOKOSA-N 0 1 328.460 2.722 20 10 EFCDMN CC[C@H]1CN(C)CCN1C(=O)NCc1c(C)c2ccccc2n1C ZINC000521567292 478377105 /nfs/dbraw/zinc/37/71/05/478377105.db2.gz YDOUNDQOJJJYRQ-HNNXBMFYSA-N 0 1 328.460 2.722 20 10 EFCDMN C[C@]1(CO)C[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@@]1(C)CO ZINC000529668910 479242339 /nfs/dbraw/zinc/24/23/39/479242339.db2.gz QAYLMOSWOYCHKR-OYRHEFFESA-N 0 1 341.451 2.872 20 10 EFCDMN C[C@]1(CO)C[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@@]1(C)CO ZINC000529668910 479242346 /nfs/dbraw/zinc/24/23/46/479242346.db2.gz QAYLMOSWOYCHKR-OYRHEFFESA-N 0 1 341.451 2.872 20 10 EFCDMN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1cnn(C)c1 ZINC000163944268 533976161 /nfs/dbraw/zinc/97/61/61/533976161.db2.gz JQRKEGUUPPKJIC-KBPBESRZSA-N 0 1 332.423 2.808 20 10 EFCDMN CC[C@H]([NH2+][C@@H]1CCCCNC1=O)c1cc(Br)ccc1[O-] ZINC000036977301 522711085 /nfs/dbraw/zinc/71/10/85/522711085.db2.gz SEIXQVHPPBRQNL-QWHCGFSZSA-N 0 1 341.249 2.864 20 10 EFCDMN CC(C)CN1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000172631264 527996693 /nfs/dbraw/zinc/99/66/93/527996693.db2.gz KQCBAKDJIXTPNO-UHFFFAOYSA-N 0 1 342.487 2.546 20 10 EFCDMN CC(C)N(CC(=O)NCc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000298737618 535036729 /nfs/dbraw/zinc/03/67/29/535036729.db2.gz VUDSIRXVSMFREU-UHFFFAOYSA-N 0 1 329.444 2.872 20 10 EFCDMN CC(C)N1C[C@H]([NH2+][C@H](C)c2ccc(Br)cc2[O-])CC1=O ZINC000273449278 535265935 /nfs/dbraw/zinc/26/59/35/535265935.db2.gz FRRYZDBNNNLPQU-ZYHUDNBSSA-N 0 1 341.249 2.815 20 10 EFCDMN COC(=O)C[C@](C)(NCc1ccc(N(C)C)cc1)c1ccncc1 ZINC000191905669 536360849 /nfs/dbraw/zinc/36/08/49/536360849.db2.gz FONPNQRSWHJRSM-IBGZPJMESA-N 0 1 327.428 2.716 20 10 EFCDMN O=C([O-])[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccs1 ZINC000756336918 575719527 /nfs/dbraw/zinc/71/95/27/575719527.db2.gz DKPIBDQBOMPNCY-MRXNPFEDSA-N 0 1 332.425 2.500 20 10 EFCDMN C[C@@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1cc(Cl)ccc1[O-] ZINC000756429779 575737820 /nfs/dbraw/zinc/73/78/20/575737820.db2.gz FBPCMNMXAACYAS-LLVKDONJSA-N 0 1 329.791 2.872 20 10 EFCDMN C[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1ccc(Br)cc1[O-] ZINC000756510563 575751990 /nfs/dbraw/zinc/75/19/90/575751990.db2.gz KHOWBGRXXCJUFI-MFKMUULPSA-N 0 1 344.249 2.593 20 10 EFCDMN C[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc(Br)cc1[O-] ZINC000756531611 575756087 /nfs/dbraw/zinc/75/60/87/575756087.db2.gz AJNMZGKIRZUSHE-VXGBXAGGSA-N 0 1 343.265 2.526 20 10 EFCDMN C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc(Br)cc1[O-] ZINC000756531608 575756207 /nfs/dbraw/zinc/75/62/07/575756207.db2.gz AJNMZGKIRZUSHE-NWDGAFQWSA-N 0 1 343.265 2.526 20 10 EFCDMN CCc1nncn1CC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000756620888 575768869 /nfs/dbraw/zinc/76/88/69/575768869.db2.gz OESDYEDMKVVPFQ-JTQLQIEISA-N 0 1 339.237 2.659 20 10 EFCDMN C[C@@H]([NH2+]CCNc1cnccn1)c1cc(Br)ccc1[O-] ZINC000756645655 575772242 /nfs/dbraw/zinc/77/22/42/575772242.db2.gz HVMSSWFPYASLDA-SNVBAGLBSA-N 0 1 337.221 2.707 20 10 EFCDMN C[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1ccc(Br)cc1[O-] ZINC000756756972 575784291 /nfs/dbraw/zinc/78/42/91/575784291.db2.gz BDLQHRRAMSGUNN-PGUXBMHVSA-N 0 1 343.265 2.524 20 10 EFCDMN C[C@H]([NH2+][C@H](CO)C1CCOCC1)c1cc(Br)ccc1[O-] ZINC000757656621 575847785 /nfs/dbraw/zinc/84/77/85/575847785.db2.gz BSTQHYLWELWQQX-IINYFYTJSA-N 0 1 344.249 2.593 20 10 EFCDMN C[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1cc(Br)ccc1[O-] ZINC000757656617 575847842 /nfs/dbraw/zinc/84/78/42/575847842.db2.gz BSTQHYLWELWQQX-HZMBPMFUSA-N 0 1 344.249 2.593 20 10 EFCDMN O=S1(=O)CCc2cc(C[NH2+]Cc3cc(Cl)ccc3[O-])ccc21 ZINC000757692854 575850087 /nfs/dbraw/zinc/85/00/87/575850087.db2.gz IWKQRSRYRXLEDE-UHFFFAOYSA-N 0 1 337.828 2.665 20 10 EFCDMN CN(CC1CC1)S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000758161674 575861534 /nfs/dbraw/zinc/86/15/34/575861534.db2.gz HPBDRJVDHUUCFV-UHFFFAOYSA-N 0 1 325.217 2.698 20 10 EFCDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccc(O)cc1F ZINC000758168948 575861684 /nfs/dbraw/zinc/86/16/84/575861684.db2.gz IFJAIGGDXYEDCR-UHFFFAOYSA-N 0 1 346.723 2.894 20 10 EFCDMN CCN(CC)c1ccc(CN(C)[C@@H](C)C(=O)NC[C@H]2CCCO2)cc1 ZINC000759643013 575914685 /nfs/dbraw/zinc/91/46/85/575914685.db2.gz KIRLXNWQKYFALV-QFBILLFUSA-N 0 1 347.503 2.648 20 10 EFCDMN COc1ccc(O)c([C@H](C)NCc2nc3ccc(OC)nc3[nH]2)c1 ZINC000760866889 576082694 /nfs/dbraw/zinc/08/26/94/576082694.db2.gz BDXVXUGZXJFWNK-JTQLQIEISA-N 0 1 328.372 2.532 20 10 EFCDMN CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000760883197 576084655 /nfs/dbraw/zinc/08/46/55/576084655.db2.gz AQHVHHFGHBQUKD-VZJVUDMVSA-N 0 1 344.249 2.999 20 10 EFCDMN CCOc1cccc(CN2CCN(C(=O)C3CC3)CC2(C)C)c1O ZINC000761226321 576132752 /nfs/dbraw/zinc/13/27/52/576132752.db2.gz OOZOJWBYYZIHAB-UHFFFAOYSA-N 0 1 332.444 2.624 20 10 EFCDMN COC(=O)[C@H](C)Cc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1 ZINC000764661879 576486613 /nfs/dbraw/zinc/48/66/13/576486613.db2.gz XFBCQBCTAMKDQW-SNVBAGLBSA-N 0 1 347.342 2.841 20 10 EFCDMN C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccoc1 ZINC000765252894 577023261 /nfs/dbraw/zinc/02/32/61/577023261.db2.gz JWBPNUJHADBPSR-HOCLYGCPSA-N 0 1 327.428 2.832 20 10 EFCDMN C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccco1 ZINC000765254559 577023621 /nfs/dbraw/zinc/02/36/21/577023621.db2.gz NMVRLGAOIZCDTK-GDBMZVCRSA-N 0 1 327.428 2.832 20 10 EFCDMN CCC(=O)c1cccc(S(=O)(=O)Nc2ccc(O)cc2C(C)=O)c1 ZINC000766047319 577101407 /nfs/dbraw/zinc/10/14/07/577101407.db2.gz KBHHYQBGLYBOGS-UHFFFAOYSA-N 0 1 347.392 2.988 20 10 EFCDMN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000767018368 577192539 /nfs/dbraw/zinc/19/25/39/577192539.db2.gz JOVZFGYYDRVDOR-MRXNPFEDSA-N 0 1 327.432 2.661 20 10 EFCDMN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC000767226651 577200764 /nfs/dbraw/zinc/20/07/64/577200764.db2.gz KEXNKWYAOAAHPC-YGRLFVJLSA-N 0 1 330.388 2.562 20 10 EFCDMN COc1cccc(O)c1CNCC(=O)Nc1cccc2cccnc21 ZINC000725851074 577250452 /nfs/dbraw/zinc/25/04/52/577250452.db2.gz NBUGTVOYYSSLGR-UHFFFAOYSA-N 0 1 337.379 2.677 20 10 EFCDMN C[C@@H]1CC[N@@H+](Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)[C@@H]2CCCC[C@H]12 ZINC000737751543 577253519 /nfs/dbraw/zinc/25/35/19/577253519.db2.gz MBOHJJHIQQSFJX-UXIGCNINSA-N 0 1 344.415 2.534 20 10 EFCDMN CCN(CC(=O)Nc1c(-c2ccccn2)nc2ccccn21)C1CC1 ZINC000768134699 577256631 /nfs/dbraw/zinc/25/66/31/577256631.db2.gz MMUTUVPHQOVDGO-UHFFFAOYSA-N 0 1 335.411 2.819 20 10 EFCDMN COc1cccc(O)c1CN1CCN(CCOc2ccccc2)CC1 ZINC000768193331 577260341 /nfs/dbraw/zinc/26/03/41/577260341.db2.gz KUQSHKDDMJOWDU-UHFFFAOYSA-N 0 1 342.439 2.597 20 10 EFCDMN CCN(CC)c1ccc(CN2CCN(C[C@H]3CCCO3)CC2)cc1F ZINC000768193266 577260373 /nfs/dbraw/zinc/26/03/73/577260373.db2.gz ZOBINGIDDMFYNX-GOSISDBHSA-N 0 1 349.494 2.969 20 10 EFCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000769556812 577372304 /nfs/dbraw/zinc/37/23/04/577372304.db2.gz SQBHUWZMMHWJMB-UHFFFAOYSA-N 0 1 329.799 2.956 20 10 EFCDMN CC[C@@H](OC)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771053675 581169223 /nfs/dbraw/zinc/16/92/23/581169223.db2.gz PPCKZHAYFIRINW-GDBMZVCRSA-N 0 1 340.851 2.551 20 10 EFCDMN Cc1cc(C(=O)N2CCN(C)[C@H](C)[C@H]2C)c(C)n1-c1ccccn1 ZINC000771398208 581207572 /nfs/dbraw/zinc/20/75/72/581207572.db2.gz SIWVMFKNKSQATG-HUUCEWRRSA-N 0 1 326.444 2.654 20 10 EFCDMN C[C@H](NC(=O)c1nnc2ccccc2c1O)c1ccc(N(C)C)cc1 ZINC000772997348 581386632 /nfs/dbraw/zinc/38/66/32/581386632.db2.gz HEJGNIJZKZDCTM-LBPRGKRZSA-N 0 1 336.395 2.892 20 10 EFCDMN CCc1nc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)n[nH]1 ZINC000773142703 581400511 /nfs/dbraw/zinc/40/05/11/581400511.db2.gz ZTQMPSIQGGCKEC-OLZOCXBDSA-N 0 1 347.438 2.755 20 10 EFCDMN COc1ccc(CN[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1C ZINC000774403339 581490854 /nfs/dbraw/zinc/49/08/54/581490854.db2.gz JBDPXOXAOIJRCK-CYBMUJFWSA-N 0 1 334.441 2.502 20 10 EFCDMN COc1c([O-])c(CN2CC[NH+](C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000774828316 581501788 /nfs/dbraw/zinc/50/17/88/581501788.db2.gz WGURTPLLQMHQOU-UHFFFAOYSA-N 0 1 349.431 2.759 20 10 EFCDMN COc1c([O-])c(C[N@@H+](C)[C@@H]2C[C@@](C)(OC)C2(C)C)ccc1[N+](=O)[O-] ZINC000774916003 581504101 /nfs/dbraw/zinc/50/41/01/581504101.db2.gz XRHNBYQTZWBMFZ-CXAGYDPISA-N 0 1 338.404 2.944 20 10 EFCDMN COc1ccc(CNCc2ccc(-c3nn[nH]n3)cc2F)cc1C ZINC000737091410 598315039 /nfs/dbraw/zinc/31/50/39/598315039.db2.gz ADMONNIWESITFK-UHFFFAOYSA-N 0 1 327.363 2.613 20 10 EFCDMN C[N@H+]1CCC[C@@H]1[C@H]1CCCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000737518114 600228402 /nfs/dbraw/zinc/22/84/02/600228402.db2.gz CBGGDHAUYIXTMO-UEDYQVLESA-N 0 1 345.399 2.756 20 10 EFCDMN C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000736749059 600259629 /nfs/dbraw/zinc/25/96/29/600259629.db2.gz VVQMTEDVYGALFU-FLXNLOQFSA-N 0 1 347.436 2.585 20 10 EFCDMN C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000736749059 600259631 /nfs/dbraw/zinc/25/96/31/600259631.db2.gz VVQMTEDVYGALFU-FLXNLOQFSA-N 0 1 347.436 2.585 20 10 EFCDMN C[C@@H]1C[N@H+]2CCCC[C@H]2CN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000393047915 600313588 /nfs/dbraw/zinc/31/35/88/600313588.db2.gz KMLHDBCLZAGOMR-HYWNAFCQSA-N 0 1 345.399 2.756 20 10 EFCDMN C[C@@H]1C[N@H+]2CCCC[C@H]2CN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000393047910 600313836 /nfs/dbraw/zinc/31/38/36/600313836.db2.gz KMLHDBCLZAGOMR-BZDCKHMYSA-N 0 1 345.399 2.756 20 10 EFCDMN O=C([O-])c1cc2ccccc2c(CN2CC[NH+](C3CCC3)CC2)c1O ZINC000740096394 600637553 /nfs/dbraw/zinc/63/75/53/600637553.db2.gz IFLADGGKFYSJET-UHFFFAOYSA-N 0 1 340.423 2.914 20 10 EFCDMN C[C@@H]1C[C@@H](N(C)c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1C ZINC000828168114 600814960 /nfs/dbraw/zinc/81/49/60/600814960.db2.gz MIGSXKXJRYDORD-QZWGFMDZSA-N 0 1 333.388 2.612 20 10 EFCDMN CCC[N@@H+](C)C[C@@H]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829458008 600825728 /nfs/dbraw/zinc/82/57/28/600825728.db2.gz HKLYDVVZHWWJAC-PKYBCLHXSA-N 0 1 347.415 2.861 20 10 EFCDMN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000829162856 601252725 /nfs/dbraw/zinc/25/27/25/601252725.db2.gz UOHKPXNPKGOUQB-XCRGBYMUSA-N 0 1 345.399 2.756 20 10 EFCDMN COc1ccc(N2CC[NH+](Cc3cc(C(=O)[O-])c(C)o3)CC2)cc1F ZINC000832383193 601551126 /nfs/dbraw/zinc/55/11/26/601551126.db2.gz ARUUPVPTNRYQPK-UHFFFAOYSA-N 0 1 348.374 2.756 20 10 EFCDMN COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)c1O ZINC000831353712 601891375 /nfs/dbraw/zinc/89/13/75/601891375.db2.gz PCVGMMMWUUFCFQ-LJQANCHMSA-N 0 1 343.379 2.629 20 10 EFCDMN C[N@H+]1CCC[C@@H]2CN(c3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])CC[C@@H]21 ZINC000327427687 604275740 /nfs/dbraw/zinc/27/57/40/604275740.db2.gz DBDMFPLOJGRTIQ-IORUMNFESA-N 0 1 345.399 2.613 20 10 EFCDMN CCOc1cccc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)[O-])c1O ZINC000392495343 604464856 /nfs/dbraw/zinc/46/48/56/604464856.db2.gz UXMQTHZPBSRGAG-INIZCTEOSA-N 0 1 327.380 2.802 20 10 EFCDMN CCOc1cccc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)[O-])c1O ZINC000392495344 604465358 /nfs/dbraw/zinc/46/53/58/604465358.db2.gz UXMQTHZPBSRGAG-MRXNPFEDSA-N 0 1 327.380 2.802 20 10 EFCDMN O=C([O-])[C@H]1CC12CC[NH+](Cc1cccc(Br)c1O)CC2 ZINC000833771940 604651016 /nfs/dbraw/zinc/65/10/16/604651016.db2.gz VCZDJTAKQGMDPP-LLVKDONJSA-N 0 1 340.217 2.841 20 10 EFCDMN CC1=C(C(=O)[O-])C[C@H](C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)O1 ZINC000833584085 604825972 /nfs/dbraw/zinc/82/59/72/604825972.db2.gz NIFNGXWDZDTYLF-QGZVFWFLSA-N 0 1 330.428 2.865 20 10 EFCDMN COC(=O)C[C@H]1CCC[N@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000831143552 604982217 /nfs/dbraw/zinc/98/22/17/604982217.db2.gz DBORKWUFIBZDQR-CYBMUJFWSA-N 0 1 343.379 2.771 20 10 EFCDMN COc1cc(O)c(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1OC ZINC000833729824 605230559 /nfs/dbraw/zinc/23/05/59/605230559.db2.gz QEFYKIAMSLPTIQ-YUTCNCBUSA-N 0 1 335.400 2.627 20 10 EFCDMN O=C1COc2ccccc2CN1CC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000922463603 1266089271 /nfs/dbraw/zinc/08/92/71/1266089271.db2.gz UGNVPUWAGLCPML-UHFFFAOYSA-N 0 1 346.814 2.556 20 10 EFCDMN CCCCN1C(=O)C[C@]2(CCC[N@@H+](Cc3cccc(F)c3[O-])C2)C1=O ZINC001273305044 1266115493 /nfs/dbraw/zinc/11/54/93/1266115493.db2.gz YHBQZPOXRDLDLD-IBGZPJMESA-N 0 1 348.418 2.673 20 10 EFCDMN O=S(=O)(CCNCc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921596753 1257530683 /nfs/dbraw/zinc/53/06/83/1257530683.db2.gz NVYXEKPXRAJHST-UHFFFAOYSA-N 0 1 331.437 2.575 20 10 EFCDMN O=C1[C@H](NCc2ccc3c(c2)CCCO3)CCN1Cc1ccccc1 ZINC000921624676 1257831323 /nfs/dbraw/zinc/83/13/23/1257831323.db2.gz OFUMKUOBXYSYTC-LJQANCHMSA-N 0 1 336.435 2.902 20 10 EFCDMN COC(=O)[C@@H](C)Oc1ccccc1CNCc1ccc2c(c1)CCO2 ZINC000921650966 1259460057 /nfs/dbraw/zinc/46/00/57/1259460057.db2.gz PUUVHXSCPPJVLQ-CQSZACIVSA-N 0 1 341.407 2.852 20 10 EFCDMN Cc1c(NCc2cc(Cl)cc(Br)c2O)nnn1C ZINC000708190622 1259688518 /nfs/dbraw/zinc/68/85/18/1259688518.db2.gz LSSJJQKZJXIURJ-UHFFFAOYSA-N 0 1 331.601 2.857 20 10 EFCDMN CC[C@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1ccc(O)c(O)c1 ZINC001272902575 1261294007 /nfs/dbraw/zinc/29/40/07/1261294007.db2.gz FCLXAKMMISZPED-LIRRHRJNSA-N 0 1 332.444 2.853 20 10 EFCDMN CCCCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(O)c(O)c1 ZINC001272903349 1261296093 /nfs/dbraw/zinc/29/60/93/1261296093.db2.gz RCBHTNXTKZWAAX-LJQANCHMSA-N 0 1 332.444 2.855 20 10 EFCDMN 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CC(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c([O-])cccc1F ZINC001276359195 1294606693 /nfs/dbraw/zinc/60/66/93/1294606693.db2.gz GWAMDMBVOFWAKT-AGUYFDCRSA-N 0 1 335.423 2.734 20 10 EFCDMN OCC[C@@H](NCc1cccc(Br)c1O)C(F)(F)F ZINC000886371000 1294902002 /nfs/dbraw/zinc/90/20/02/1294902002.db2.gz BYYHLWQDXRTRKP-SECBINFHSA-N 0 1 328.128 2.558 20 10 EFCDMN CC(C)(C)OC(=O)N1CCCC2(CN(Cc3ccc(O)cc3O)C2)C1 ZINC001204276612 1313114487 /nfs/dbraw/zinc/11/44/87/1313114487.db2.gz OSHIXIJRLHZLAW-UHFFFAOYSA-N 0 1 348.443 2.931 20 10 EFCDMN O=C(N[C@@H]1CCCN(Cc2ccc(O)cc2O)C1)c1ccccc1F ZINC001204278132 1313115087 /nfs/dbraw/zinc/11/50/87/1313115087.db2.gz VJGBMYCETYWVQU-CQSZACIVSA-N 0 1 344.386 2.631 20 10 EFCDMN COc1cc(Br)cc(CN2CC[C@]3(CCCO3)C2)c1O ZINC001204336202 1313124741 /nfs/dbraw/zinc/12/47/41/1313124741.db2.gz GRAZKOOIKUJMDX-OAHLLOKOSA-N 0 1 342.233 2.918 20 10 EFCDMN Cc1ccnc(N2CCN(Cc3ccc(N4CCCC4)cc3)CC2)n1 ZINC001204329190 1313123261 /nfs/dbraw/zinc/12/32/61/1313123261.db2.gz 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NC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000895005326 723046798 /nfs/dbraw/zinc/04/67/98/723046798.db2.gz XQCKLCFAPLXCJK-GOSISDBHSA-N 0 1 330.815 2.675 20 10 EFCDMN CO[C@H]1CN(Cc2cc(Cl)cc(Br)c2O)CCO1 ZINC000895962134 723068082 /nfs/dbraw/zinc/06/80/82/723068082.db2.gz HCRWEGPPJICTQW-LLVKDONJSA-N 0 1 336.613 2.613 20 10 EFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H](C3OCCO3)C2)c1 ZINC000896387815 723278430 /nfs/dbraw/zinc/27/84/30/723278430.db2.gz WCGZFPZVFOLMSA-NSHDSACASA-N 0 1 342.233 2.658 20 10 EFCDMN CC(C)[C@@H]1CN(C)CCN1C(=O)NCCCSc1nccs1 ZINC000154650739 728842900 /nfs/dbraw/zinc/84/29/00/728842900.db2.gz NTTIBVOXHUBTGT-ZDUSSCGKSA-N 0 1 342.534 2.607 20 10 EFCDMN CCN(CC)c1ccc(CNC(=O)N2CCN(C(C)C)CC2)cc1 ZINC000918228034 728855699 /nfs/dbraw/zinc/85/56/99/728855699.db2.gz FEBBOUCHSZZDSV-UHFFFAOYSA-N 0 1 332.492 2.768 20 10 EFCDMN Cn1nc(CNCc2ccc(N3CCOCC3)cc2)c2ccccc21 ZINC000727467958 724057666 /nfs/dbraw/zinc/05/76/66/724057666.db2.gz CAZUQDUBQCXWSZ-UHFFFAOYSA-N 0 1 336.439 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C[C@@H]1CCCN(C(=O)CN(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000917073916 727763437 /nfs/dbraw/zinc/76/34/37/727763437.db2.gz HRKXDVCPVBLQMI-MRXNPFEDSA-N 0 1 329.488 2.976 20 10 EFCDMN Cc1noc(C)c1CN1CCN(Cc2cc(C)cc(C)c2O)CC1 ZINC000164217249 727920243 /nfs/dbraw/zinc/92/02/43/727920243.db2.gz SMRDWPVNQPGXEF-UHFFFAOYSA-N 0 1 329.444 2.932 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CCN(C(C)=O)C2)c1[O-] ZINC000156717570 727966726 /nfs/dbraw/zinc/96/67/26/727966726.db2.gz QSAGPAZJHILZAQ-ZDUSSCGKSA-N 0 1 338.835 2.548 20 10 EFCDMN CC[N@H+](CCCC(=O)OC)Cc1cc(Br)ccc1[O-] ZINC000076118567 727994716 /nfs/dbraw/zinc/99/47/16/727994716.db2.gz LJHGFLPKLIUVBK-UHFFFAOYSA-N 0 1 330.222 2.930 20 10 EFCDMN CC[N@@H+](CCCC(=O)OC)Cc1cc(Br)ccc1[O-] ZINC000076118567 727994718 /nfs/dbraw/zinc/99/47/18/727994718.db2.gz LJHGFLPKLIUVBK-UHFFFAOYSA-N 0 1 330.222 2.930 20 10 EFCDMN COc1ccc(O)c([C@@H](C)NC(=O)Cc2[nH]nc3ccccc32)c1 ZINC000157881597 728246926 /nfs/dbraw/zinc/24/69/26/728246926.db2.gz 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Cc1cc(Br)cc(C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])c1O ZINC000844933789 969248314 /nfs/dbraw/zinc/24/83/14/969248314.db2.gz HXTRDOZZIIOUIL-BXKDBHETSA-N 0 1 328.206 2.901 20 10 EFCDMN Cc1cc(Br)cc(C[N@@H+](CC(=O)[O-])C2CCC2)c1O ZINC000848639748 969270842 /nfs/dbraw/zinc/27/08/42/969270842.db2.gz KSYZXHSPSDLEGW-UHFFFAOYSA-N 0 1 328.206 2.902 20 10 EFCDMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000901553987 969439472 /nfs/dbraw/zinc/43/94/72/969439472.db2.gz TWMQCCYLNCRUKK-MRXNPFEDSA-N 0 1 332.444 2.600 20 10 EFCDMN O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1c(O)cccc1Br ZINC000706649737 977356818 /nfs/dbraw/zinc/35/68/18/977356818.db2.gz VGPBARAYDLBGRH-RBZYPMLTSA-N 0 1 340.217 2.840 20 10 EFCDMN COc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])c1O ZINC000840997822 979300563 /nfs/dbraw/zinc/30/05/63/979300563.db2.gz PYKTTWJHGRNKRQ-LLVKDONJSA-N 0 1 344.205 2.602 20 10 EFCDMN O=C([O-])C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000901974586 980656053 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ZINC001593451085 995349722 /nfs/dbraw/zinc/34/97/22/995349722.db2.gz SFWOALVGBHJPPM-JSGCOSHPSA-N 0 1 329.396 2.979 20 10 EFCDMN CO[C@@H](CC(C)C)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001599045275 999146659 /nfs/dbraw/zinc/14/66/59/999146659.db2.gz NUDFXJJKJCAHDE-AWEZNQCLSA-N 0 1 329.824 2.993 20 10 EFCDMN C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Br)[C@@H](C(=O)[O-])C1 ZINC001594422684 999575362 /nfs/dbraw/zinc/57/53/62/999575362.db2.gz HMQJKSDSJUMRNA-BXKDBHETSA-N 0 1 328.206 2.840 20 10 EFCDMN CC(=O)c1cc(F)cc(C[NH2+]C2(Cc3cn[nH]n3)CCCCC2)c1[O-] ZINC001575168101 1088282383 /nfs/dbraw/zinc/28/23/83/1088282383.db2.gz UDPKHQIXQCSCBJ-UHFFFAOYSA-N 0 1 346.406 2.887 20 10 EFCDMN COc1cccc(C[C@H](N)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC001579273464 1090574394 /nfs/dbraw/zinc/57/43/94/1090574394.db2.gz UPIHSCUAAWOGIE-LIRRHRJNSA-N 0 1 341.455 2.508 20 10 EFCDMN N[C@@H](Cc1cc2ccccc2o1)C(=O)NCc1cc(Cl)ccc1O ZINC001580134095 1090785504 /nfs/dbraw/zinc/78/55/04/1090785504.db2.gz HWQPEYKQUAVDDT-HNNXBMFYSA-N 0 1 344.798 2.978 20 10 EFCDMN C/C=C(\CC)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000588565862 1093211463 /nfs/dbraw/zinc/21/14/63/1093211463.db2.gz PPYGMTVSWAJKFV-HAVNEIBRSA-N 0 1 345.487 2.680 20 10 EFCDMN CCCN(Cc1csc(-c2nn[n-]n2)c1)c1ccc(C[NH3+])cc1 ZINC001590632758 1093527038 /nfs/dbraw/zinc/52/70/38/1093527038.db2.gz URYCWIPPEGVWOP-UHFFFAOYSA-N 0 1 328.445 2.804 20 10 EFCDMN Cc1cc(N(C)Cc2ccc(N3CCCC3)cc2)c(-c2nnn[n-]2)c[nH+]1 ZINC001591996974 1093951788 /nfs/dbraw/zinc/95/17/88/1093951788.db2.gz TWDGVRLBVUPFBB-UHFFFAOYSA-N 0 1 349.442 2.807 20 10 EFCDMN Cc1cccc(O)c1C[N@@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001600543027 1095149697 /nfs/dbraw/zinc/14/96/97/1095149697.db2.gz DZLKNVXBEHBCOO-DLBZAZTESA-N 0 1 327.380 2.706 20 10 EFCDMN O=C([O-])[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)C[C@@H]1c1ccccc1 ZINC001602188927 1096108508 /nfs/dbraw/zinc/10/85/08/1096108508.db2.gz NGACLPQJWGJEQI-ZIAGYGMSSA-N 0 1 333.334 2.971 20 10 EFCDMN O=C([O-])[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2O)C[C@@H]1c1ccccc1 ZINC001602188927 1096108514 /nfs/dbraw/zinc/10/85/14/1096108514.db2.gz NGACLPQJWGJEQI-ZIAGYGMSSA-N 0 1 333.334 2.971 20 10 EFCDMN O=C([O-])[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H]1c1ccc(O)cc1 ZINC001602189167 1096110832 /nfs/dbraw/zinc/11/08/32/1096110832.db2.gz RFEGKCXZZKEXMB-JKSUJKDBSA-N 0 1 331.343 2.537 20 10 EFCDMN Cc1cc(O)c(CN2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)cc1C ZINC000782871174 1096180319 /nfs/dbraw/zinc/18/03/19/1096180319.db2.gz NKCXPCWGUZSYRL-KRWDZBQOSA-N 0 1 331.460 2.587 20 10 EFCDMN O=C([O-])c1occc1C[NH2+]Cc1cccc(Br)c1O ZINC001602590777 1096309661 /nfs/dbraw/zinc/30/96/61/1096309661.db2.gz ICORTVOPDFQQMR-UHFFFAOYSA-N 0 1 326.146 2.736 20 10 EFCDMN C[C@H](C(=O)[O-])[N@@H+](Cc1cc(Br)ccc1O)C1CCC1 ZINC001603199213 1096471362 /nfs/dbraw/zinc/47/13/62/1096471362.db2.gz WMYMPHOAGHDIHC-SECBINFHSA-N 0 1 328.206 2.982 20 10 EFCDMN C[C@H](N[C@H](C1CC1)C(F)(F)F)c1cccc(-c2nn[nH]n2)c1O ZINC001603652028 1096578063 /nfs/dbraw/zinc/57/80/63/1096578063.db2.gz WTCXXFXKGMYUND-JVXZTZIISA-N 0 1 327.310 2.564 20 10 EFCDMN CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC001603883725 1096655100 /nfs/dbraw/zinc/65/51/00/1096655100.db2.gz YQNCUKLHEBKJKW-LSDHHAIUSA-N 0 1 326.387 2.929 20 10 EFCDMN CC(C)c1ccc(O)c(C[N@H+]2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC001604002705 1096694058 /nfs/dbraw/zinc/69/40/58/1096694058.db2.gz LIIYDZNXWKNAHX-HNNXBMFYSA-N 0 1 344.415 2.642 20 10 EFCDMN CC[C@](C)(C(=O)[O-])[N@H+](Cc1ccc(OC)c(OC)c1O)CC1CC1 ZINC001604888804 1096975703 /nfs/dbraw/zinc/97/57/03/1096975703.db2.gz HAIQFAPFABUXLV-GOSISDBHSA-N 0 1 337.416 2.875 20 10 EFCDMN CC[N@H+](CCC(=O)[O-])CC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC001605442819 1097126073 /nfs/dbraw/zinc/12/60/73/1097126073.db2.gz HCZGVVXDHAFWHR-UHFFFAOYSA-N 0 1 347.390 2.608 20 10 EFCDMN CC[N@@H+](CCC(=O)[O-])CC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC001605442819 1097126078 /nfs/dbraw/zinc/12/60/78/1097126078.db2.gz HCZGVVXDHAFWHR-UHFFFAOYSA-N 0 1 347.390 2.608 20 10 EFCDMN Cn1c(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)ccc1C(=O)[O-] ZINC001606160504 1097332324 /nfs/dbraw/zinc/33/23/24/1097332324.db2.gz MDPUKYQHNYHMIZ-UHFFFAOYSA-N 0 1 327.428 2.956 20 10 EFCDMN COc1ccc(N2CC[C@@H](Nc3ccc(C(=O)[O-])c(C)[nH+]3)C2)cc1 ZINC001607269692 1097580931 /nfs/dbraw/zinc/58/09/31/1097580931.db2.gz XKLXQZUOPQCARV-CYBMUJFWSA-N 0 1 327.384 2.788 20 10 EFCDMN Cc1[nH]c(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1C(=O)[O-] ZINC001607494128 1097641788 /nfs/dbraw/zinc/64/17/88/1097641788.db2.gz LHKSKCNUYNSOLX-MRXNPFEDSA-N 0 1 344.411 2.908 20 10 EFCDMN Cc1cc(CNC2CC[NH+](CC(=O)[O-])CC2)c(C)n1-c1ccccc1 ZINC001607648727 1097689106 /nfs/dbraw/zinc/68/91/06/1097689106.db2.gz UWFKLZCZFNKACK-UHFFFAOYSA-N 0 1 341.455 2.733 20 10 EFCDMN Cc1cc(C[NH2+]C2CCN(CC(=O)[O-])CC2)c(C)n1-c1ccccc1 ZINC001607648727 1097689110 /nfs/dbraw/zinc/68/91/10/1097689110.db2.gz UWFKLZCZFNKACK-UHFFFAOYSA-N 0 1 341.455 2.733 20 10 EFCDMN Cc1cc(O)c(C[N@H+]2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)cc1C(C)C ZINC001607700352 1097703067 /nfs/dbraw/zinc/70/30/67/1097703067.db2.gz XFTLETYWECWNLK-GOSISDBHSA-N 0 1 332.400 2.629 20 10 EFCDMN O=C([O-])c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1cc(Cl)c(F)cc1O ZINC001608867689 1098049780 /nfs/dbraw/zinc/04/97/80/1098049780.db2.gz OEKJHEDKQAMZNY-NSHDSACASA-N 0 1 339.754 2.704 20 10 EFCDMN C[C@@H](C(=O)[O-])[N@H+](Cc1cccc(Br)c1O)C1CCC1 ZINC001609641831 1098412846 /nfs/dbraw/zinc/41/28/46/1098412846.db2.gz UGRWRGZHPCBNMD-VIFPVBQESA-N 0 1 328.206 2.982 20 10 EFCDMN C[C@@H](C(=O)[O-])[N@@H+](Cc1cccc(Br)c1O)C1CCC1 ZINC001609641831 1098412847 /nfs/dbraw/zinc/41/28/47/1098412847.db2.gz UGRWRGZHPCBNMD-VIFPVBQESA-N 0 1 328.206 2.982 20 10 EFCDMN CCOc1ccc(O)c(C[N@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC001610043667 1098528806 /nfs/dbraw/zinc/52/88/06/1098528806.db2.gz ZGJCRQSUUPJXDL-CQSZACIVSA-N 0 1 333.306 2.630 20 10 EFCDMN COc1cccc(C[N@H+]2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c1O ZINC001610357314 1098636798 /nfs/dbraw/zinc/63/67/98/1098636798.db2.gz GCUUEBHSKZXTSM-IBGZPJMESA-N 0 1 327.380 2.629 20 10 EFCDMN O=C([O-])C[C@H]1CSCC[N@H+]1Cc1cccc(Br)c1O ZINC001610765861 1098873087 /nfs/dbraw/zinc/87/30/87/1098873087.db2.gz HRVNMGKMBGOVJA-JTQLQIEISA-N 0 1 346.246 2.547 20 10 EFCDMN O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1cccc(Br)c1O ZINC001610765861 1098873093 /nfs/dbraw/zinc/87/30/93/1098873093.db2.gz HRVNMGKMBGOVJA-JTQLQIEISA-N 0 1 346.246 2.547 20 10 EFCDMN CCc1nc(NCc2ccc(N3CCN(C)CC3)cc2)ncc1F ZINC001167427140 1101585564 /nfs/dbraw/zinc/58/55/64/1101585564.db2.gz ZPMSWSMBVARYMN-UHFFFAOYSA-N 0 1 329.423 2.542 20 10 EFCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@](O)(CF)CC1 ZINC001140098679 1102120777 /nfs/dbraw/zinc/12/07/77/1102120777.db2.gz KSBBGBOQKNENLI-CQSZACIVSA-N 0 1 332.213 2.841 20 10 EFCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@](O)(CF)CC1 ZINC001140098679 1102120782 /nfs/dbraw/zinc/12/07/82/1102120782.db2.gz KSBBGBOQKNENLI-CQSZACIVSA-N 0 1 332.213 2.841 20 10 EFCDMN C[C@H](NCc1c(Br)cnn1C)c1cc(F)ccc1O ZINC000693441036 1102300897 /nfs/dbraw/zinc/30/08/97/1102300897.db2.gz SBJIAXRSVXKNSV-QMMMGPOBSA-N 0 1 328.185 2.878 20 10 EFCDMN CCOc1cccc(CNCc2c(Br)cnn2C)c1O ZINC000693466551 1102482460 /nfs/dbraw/zinc/48/24/60/1102482460.db2.gz YNJZACYABJEKFL-UHFFFAOYSA-N 0 1 340.221 2.577 20 10 EFCDMN C[C@@H](C[N@@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000840999192 1102724302 /nfs/dbraw/zinc/72/43/02/1102724302.db2.gz PGDWGZILAKLFQU-ZDUSSCGKSA-N 0 1 335.404 2.738 20 10 EFCDMN COc1ccc(NC(=S)NCc2cc(N(C)C)ccn2)cc1F ZINC000905617632 1103420654 /nfs/dbraw/zinc/42/06/54/1103420654.db2.gz GWELXDVEUMZLNG-UHFFFAOYSA-N 0 1 334.420 2.782 20 10 EFCDMN CO[C@]1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCSC1 ZINC000897769008 1106077608 /nfs/dbraw/zinc/07/76/08/1106077608.db2.gz LMCHTGKNQWTFEY-CYBMUJFWSA-N 0 1 336.240 2.837 20 10 EFCDMN COc1ccc(O)c(CN2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)c1 ZINC000897895369 1106135231 /nfs/dbraw/zinc/13/52/31/1106135231.db2.gz YFTKKEGDMMJJES-UHFFFAOYSA-N 0 1 348.443 2.844 20 10 EFCDMN CCOC(=O)N1CCC([N@@H+](C)Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142527281 1106182919 /nfs/dbraw/zinc/18/29/19/1106182919.db2.gz REZTVZLPHOOCAO-UHFFFAOYSA-N 0 1 328.359 2.723 20 10 EFCDMN C[C@@H]([NH2+]CCN1CCCOCC1)c1ccc(Br)cc1[O-] ZINC000903228938 1107079128 /nfs/dbraw/zinc/07/91/28/1107079128.db2.gz UBXPKNKUWUBKTM-GFCCVEGCSA-N 0 1 343.265 2.528 20 10 EFCDMN CC[C@H](F)CN1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001089067992 1107403804 /nfs/dbraw/zinc/40/38/04/1107403804.db2.gz GHOHNYQQTVMGAB-ZLDLUXBVSA-N 0 1 349.410 2.790 20 10 EFCDMN CC[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(O)ccc1O ZINC001272387316 1108152387 /nfs/dbraw/zinc/15/23/87/1108152387.db2.gz WNKPBBVJPGHUQQ-KUHUBIRLSA-N 0 1 332.444 2.853 20 10 EFCDMN Cc1cc(C(=O)N2CCC[C@H]2c2nnc[nH]2)c(C)n1-c1ccccn1 ZINC000899100088 1109207169 /nfs/dbraw/zinc/20/71/69/1109207169.db2.gz IBRJROAFUAJKTC-HNNXBMFYSA-N 0 1 336.399 2.585 20 10 EFCDMN O=C1[N-]C(=S)S/C1=C/c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000914702380 1111333850 /nfs/dbraw/zinc/33/38/50/1111333850.db2.gz CWOMMMHLGMFEST-SDNWHVSQSA-N 0 1 334.466 2.650 20 10 EFCDMN Oc1c(CNc2ncnc3c2CNCC3)cc(Cl)c2cccnc12 ZINC001168528653 1120271918 /nfs/dbraw/zinc/27/19/18/1120271918.db2.gz XYPRQZGPZWMLOU-UHFFFAOYSA-N 0 1 341.802 2.642 20 10 EFCDMN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(F)cc2[nH]cnc21 ZINC000173196296 529786326 /nfs/dbraw/zinc/78/63/26/529786326.db2.gz LWCWOCDDSWILOE-UHFFFAOYSA-N 0 1 340.358 2.807 20 10 EFCDMN CC[C@@H]([NH2+]CCC(=O)N(C)C)c1cc(Br)ccc1[O-] ZINC000037751566 213165261 /nfs/dbraw/zinc/16/52/61/213165261.db2.gz LIQVEBNEDNEDQR-GFCCVEGCSA-N 0 1 329.238 2.674 20 10 EFCDMN CCn1cc([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000165169594 239118475 /nfs/dbraw/zinc/11/84/75/239118475.db2.gz YLIMUXUZWNKUFG-CQSZACIVSA-N 0 1 332.423 2.730 20 10 EFCDMN Cc1cccc(C[N@@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1O ZINC000291654323 241027225 /nfs/dbraw/zinc/02/72/25/241027225.db2.gz UUWXQHZEJBBELG-GFCCVEGCSA-N 0 1 330.350 2.591 20 10 EFCDMN Cc1cccc(C[N@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1O ZINC000291654323 241027231 /nfs/dbraw/zinc/02/72/31/241027231.db2.gz UUWXQHZEJBBELG-GFCCVEGCSA-N 0 1 330.350 2.591 20 10 EFCDMN CCc1nc(CNCc2ccc(N(C)C)cc2C(F)(F)F)n[nH]1 ZINC000296184073 241077498 /nfs/dbraw/zinc/07/74/98/241077498.db2.gz XYYMLHNUBSDLIS-UHFFFAOYSA-N 0 1 327.354 2.742 20 10 EFCDMN O=C(Nc1ncc(C2CCOCC2)s1)c1c(F)ccc(O)c1O ZINC000296210823 241079907 /nfs/dbraw/zinc/07/99/07/241079907.db2.gz UTOYVNVQWGENLV-UHFFFAOYSA-N 0 1 338.360 2.840 20 10 EFCDMN CN(Cc1cccs1)c1ccc(CNCCS(C)(=O)=O)cc1 ZINC000296341472 241082957 /nfs/dbraw/zinc/08/29/57/241082957.db2.gz IHYMEVBPUCJXCM-UHFFFAOYSA-N 0 1 338.498 2.519 20 10 EFCDMN C[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1cc(F)ccc1[O-] ZINC000296635015 241092657 /nfs/dbraw/zinc/09/26/57/241092657.db2.gz BQKRKWNNIXNPTO-LKSINWNRSA-N 0 1 329.437 2.785 20 10 EFCDMN COc1cccc(CNc2nc(C(F)(F)F)nc3[nH]cnc32)c1O ZINC000302890113 241194020 /nfs/dbraw/zinc/19/40/20/241194020.db2.gz PGDFDFNZZVACSZ-UHFFFAOYSA-N 0 1 339.277 2.698 20 10 EFCDMN O=C1[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCN1Cc1ccccc1 ZINC000363118823 242273630 /nfs/dbraw/zinc/27/36/30/242273630.db2.gz DKOAMKGVVRNVSL-MRXNPFEDSA-N 0 1 330.815 2.936 20 10 EFCDMN C[C@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@@]2(CCCOC2)O1 ZINC000366483928 242355725 /nfs/dbraw/zinc/35/57/25/242355725.db2.gz IKQSMYKCERTEGI-MEDUHNTESA-N 0 1 329.799 2.955 20 10 EFCDMN C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(F)c(F)c1[O-] ZINC000187726575 287013611 /nfs/dbraw/zinc/01/36/11/287013611.db2.gz JFCASLRJTNCXJC-OLZOCXBDSA-N 0 1 340.414 2.822 20 10 EFCDMN C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000185028572 298644857 /nfs/dbraw/zinc/64/48/57/298644857.db2.gz FDNFLOTZUKQSPM-NEPJUHHUSA-N 0 1 343.265 2.526 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1O ZINC000248510644 278244179 /nfs/dbraw/zinc/24/41/79/278244179.db2.gz AJDMOPQRHHCDHQ-LYRGGWFBSA-N 0 1 335.375 2.952 20 10 EFCDMN C[C@@H]1COCCN1c1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1 ZINC000276491559 288349827 /nfs/dbraw/zinc/34/98/27/288349827.db2.gz ARNMJWUJMADGKN-LLVKDONJSA-N 0 1 346.358 2.714 20 10 EFCDMN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c(O)cccc1F ZINC000119455919 472556783 /nfs/dbraw/zinc/55/67/83/472556783.db2.gz VIGBBMGDDYLHBD-UHFFFAOYSA-N 0 1 344.386 2.640 20 10 EFCDMN CC(C)NC(=O)CC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000184981147 473290103 /nfs/dbraw/zinc/29/01/03/473290103.db2.gz LDOYILJBDBAXHH-JTQLQIEISA-N 0 1 329.238 2.720 20 10 EFCDMN C[C@@H](CN1CCCC1=O)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185110303 473332420 /nfs/dbraw/zinc/33/24/20/473332420.db2.gz NLOHBYCVKOUSDY-QWRGUYRKSA-N 0 1 341.249 2.816 20 10 EFCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H](O)COc1ccc(F)c(F)c1 ZINC000113337830 473385253 /nfs/dbraw/zinc/38/52/53/473385253.db2.gz ZBEMNLSDBGYKLV-JTQLQIEISA-N 0 1 343.757 2.853 20 10 EFCDMN CC[C@H]([NH2+]CCNC(=O)C(C)C)c1cc(Br)ccc1[O-] ZINC000020125288 471986666 /nfs/dbraw/zinc/98/66/66/471986666.db2.gz BGTFVUVRLJWQQC-ZDUSSCGKSA-N 0 1 343.265 2.968 20 10 EFCDMN CCNC(=O)[C@@H](C)[NH2+][C@H](CC)c1cc(Br)ccc1[O-] ZINC000036795159 472005858 /nfs/dbraw/zinc/00/58/58/472005858.db2.gz YOKBRALBZPEXME-BXKDBHETSA-N 0 1 329.238 2.720 20 10 EFCDMN CCNC(=O)[C@H](C)[NH2+][C@@H](CC)c1cc(Br)ccc1[O-] ZINC000036795152 472006227 /nfs/dbraw/zinc/00/62/27/472006227.db2.gz YOKBRALBZPEXME-CABZTGNLSA-N 0 1 329.238 2.720 20 10 EFCDMN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(O)c(Cl)c1 ZINC000054285325 472073328 /nfs/dbraw/zinc/07/33/28/472073328.db2.gz MXIWFLXGHDSHQN-UHFFFAOYSA-N 0 1 346.814 2.812 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)C=C3CCC3)cc2F)CC1 ZINC000087255432 472319322 /nfs/dbraw/zinc/31/93/22/472319322.db2.gz TZKDBOCTTZQULF-UHFFFAOYSA-N 0 1 331.435 2.694 20 10 EFCDMN CC[C@H]([NH2+]CCOCCOC)c1cc(Br)ccc1[O-] ZINC000044693643 472331832 /nfs/dbraw/zinc/33/18/32/472331832.db2.gz IRALXWZFMBHXKM-ZDUSSCGKSA-N 0 1 332.238 2.858 20 10 EFCDMN CN(C)c1ccc(CNC(=O)NC[C@H](c2cccs2)N(C)C)cc1 ZINC000031726673 472390420 /nfs/dbraw/zinc/39/04/20/472390420.db2.gz PDWNAQYTXAMVHN-MRXNPFEDSA-N 0 1 346.500 2.916 20 10 EFCDMN CCOc1ccc(O)c(CN2CCC[C@@H]2C(=O)NCc2ccco2)c1 ZINC000128245830 472423972 /nfs/dbraw/zinc/42/39/72/472423972.db2.gz PFRGFQPBZQTEAE-QGZVFWFLSA-N 0 1 344.411 2.665 20 10 EFCDMN COc1cc(OC)cc([C@H](O)C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000118450724 472496317 /nfs/dbraw/zinc/49/63/17/472496317.db2.gz HPECNUSOYIIVFK-QGZVFWFLSA-N 0 1 337.803 2.886 20 10 EFCDMN COc1ccc(N2CCN(C(=O)c3c(O)cccc3F)CC2)cc1F ZINC000128951101 472511956 /nfs/dbraw/zinc/51/19/56/472511956.db2.gz XBIIYAGWEFUISJ-UHFFFAOYSA-N 0 1 348.349 2.641 20 10 EFCDMN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2ccc3c(c2)CCO3)cc1 ZINC000120055717 472622910 /nfs/dbraw/zinc/62/29/10/472622910.db2.gz HDHOBVLPYNIBHU-OAHLLOKOSA-N 0 1 345.464 2.882 20 10 EFCDMN C[C@H](N[C@H](CO)c1cnn(C)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090885053 472662707 /nfs/dbraw/zinc/66/27/07/472662707.db2.gz AWMBCHWRWIHTLU-KBXCAEBGSA-N 0 1 346.450 2.934 20 10 EFCDMN C[C@@H](N[C@@H](CO)c1cnn(C)c1)c1ccc(N2CCCCC2)cc1 ZINC000090884918 472662900 /nfs/dbraw/zinc/66/29/00/472662900.db2.gz VWEWWYRHTXWHOX-BEFAXECRSA-N 0 1 328.460 2.795 20 10 EFCDMN Cc1nsc(N2CCC[N@H+](Cc3c([O-])cccc3Cl)CC2)n1 ZINC000131811776 472694997 /nfs/dbraw/zinc/69/49/97/472694997.db2.gz IAMBCOXJLYJVGK-UHFFFAOYSA-N 0 1 338.864 2.918 20 10 EFCDMN Cc1nsc(N2CCC[N@@H+](Cc3c([O-])cccc3Cl)CC2)n1 ZINC000131811776 472695005 /nfs/dbraw/zinc/69/50/05/472695005.db2.gz IAMBCOXJLYJVGK-UHFFFAOYSA-N 0 1 338.864 2.918 20 10 EFCDMN CC[C@@H]([NH2+]CC[C@H](O)COC)c1cc(Br)ccc1[O-] ZINC000156986015 472773059 /nfs/dbraw/zinc/77/30/59/472773059.db2.gz KJBKYNWAQMGPNQ-WCQYABFASA-N 0 1 332.238 2.593 20 10 EFCDMN CC(C)c1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n[nH]1 ZINC000078880709 472782964 /nfs/dbraw/zinc/78/29/64/472782964.db2.gz BMNNSOXRTVMARM-UHFFFAOYSA-N 0 1 342.443 2.642 20 10 EFCDMN CC(=O)c1cc(F)cc(CN(CCC(N)=O)Cc2ccccc2)c1O ZINC000079396417 472858785 /nfs/dbraw/zinc/85/87/85/472858785.db2.gz YKWYGWZIKLWLNV-UHFFFAOYSA-N 0 1 344.386 2.612 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@H+](CCC(N)=O)Cc2ccccc2)c1[O-] ZINC000079396417 472858791 /nfs/dbraw/zinc/85/87/91/472858791.db2.gz YKWYGWZIKLWLNV-UHFFFAOYSA-N 0 1 344.386 2.612 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@@H+](CCC(N)=O)Cc2ccccc2)c1[O-] ZINC000079396417 472858799 /nfs/dbraw/zinc/85/87/99/472858799.db2.gz YKWYGWZIKLWLNV-UHFFFAOYSA-N 0 1 344.386 2.612 20 10 EFCDMN CCc1nc(CN2CCN(Cc3cccc(OC)c3O)CC2)cs1 ZINC000092504915 472925548 /nfs/dbraw/zinc/92/55/48/472925548.db2.gz ADYQBFAWTHMQJI-UHFFFAOYSA-N 0 1 347.484 2.738 20 10 EFCDMN CC(=O)N(C)C1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000092538036 472932147 /nfs/dbraw/zinc/93/21/47/472932147.db2.gz IGEOYPBIMXVLFI-UHFFFAOYSA-N 0 1 341.249 2.597 20 10 EFCDMN COc1ccc(N2CCN(C[C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000066346072 473078897 /nfs/dbraw/zinc/07/88/97/473078897.db2.gz NMCWLQIPLJBLEH-IBGZPJMESA-N 0 1 330.403 2.690 20 10 EFCDMN COc1ccc(N2CCN(C[C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000066346076 473078974 /nfs/dbraw/zinc/07/89/74/473078974.db2.gz NMCWLQIPLJBLEH-LJQANCHMSA-N 0 1 330.403 2.690 20 10 EFCDMN COc1ccc(N2CCCN([C@@H](C)C(=O)NC3CCCC3)CC2)cc1 ZINC000052466264 473109541 /nfs/dbraw/zinc/10/95/41/473109541.db2.gz JOCNTWAVYZJPDG-INIZCTEOSA-N 0 1 345.487 2.655 20 10 EFCDMN Cc1cc(O)c(CN(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1C ZINC000093646752 473129984 /nfs/dbraw/zinc/12/99/84/473129984.db2.gz GUKKPNVNQIMLCV-WBVHZDCISA-N 0 1 325.474 2.797 20 10 EFCDMN Cc1cc(O)c(CN(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1C ZINC000093646753 473131164 /nfs/dbraw/zinc/13/11/64/473131164.db2.gz GUKKPNVNQIMLCV-RDJZCZTQSA-N 0 1 325.474 2.797 20 10 EFCDMN Cc1nsc(N2CCCN(Cc3cc(Cl)ccc3O)CC2)n1 ZINC000093716853 473136733 /nfs/dbraw/zinc/13/67/33/473136733.db2.gz PLXGTOZSEGGJJI-UHFFFAOYSA-N 0 1 338.864 2.918 20 10 EFCDMN Cc1nsc(N2CCC[N@H+](Cc3cc(Cl)ccc3[O-])CC2)n1 ZINC000093716853 473136737 /nfs/dbraw/zinc/13/67/37/473136737.db2.gz PLXGTOZSEGGJJI-UHFFFAOYSA-N 0 1 338.864 2.918 20 10 EFCDMN Cc1nsc(N2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])CC2)n1 ZINC000093716853 473136740 /nfs/dbraw/zinc/13/67/40/473136740.db2.gz PLXGTOZSEGGJJI-UHFFFAOYSA-N 0 1 338.864 2.918 20 10 EFCDMN CCCN(Cc1ccccc1O)C(=O)NCCCc1cn[nH]c1C ZINC000066687150 473137353 /nfs/dbraw/zinc/13/73/53/473137353.db2.gz BRECXDAZFPMUEQ-UHFFFAOYSA-N 0 1 330.432 2.978 20 10 EFCDMN C[C@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185392988 473414647 /nfs/dbraw/zinc/41/46/47/473414647.db2.gz ROIRXGGENSJVOH-NEPJUHHUSA-N 0 1 346.302 2.986 20 10 EFCDMN COCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000185467896 473434493 /nfs/dbraw/zinc/43/44/93/473434493.db2.gz RPHAUNKKYHPQMM-QMTHXVAHSA-N 0 1 332.238 2.593 20 10 EFCDMN COCC[C@](C)(O)C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000185466808 473435157 /nfs/dbraw/zinc/43/51/57/473435157.db2.gz CVBHJNCHHLBTIY-YGRLFVJLSA-N 0 1 332.238 2.593 20 10 EFCDMN C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185673913 473485336 /nfs/dbraw/zinc/48/53/36/473485336.db2.gz WJLRCCRMGQZNGJ-NTZNESFSSA-N 0 1 344.249 2.999 20 10 EFCDMN CCOc1cccc(CNCc2nc3cc(OC)ccc3n2C)c1O ZINC000185844032 473528549 /nfs/dbraw/zinc/52/85/49/473528549.db2.gz TXDJZOFIXLLJAR-UHFFFAOYSA-N 0 1 341.411 2.976 20 10 EFCDMN CN(C)c1ccc(CN2CCC([C@@H](O)c3nccn3C)CC2)cc1F ZINC000127110682 473578195 /nfs/dbraw/zinc/57/81/95/473578195.db2.gz XLVUMZPHSJTETB-GOSISDBHSA-N 0 1 346.450 2.571 20 10 EFCDMN CC(C)N1CC[C@H]([NH2+][C@@H](C)c2cc(Br)ccc2[O-])C1=O ZINC000186047592 473578308 /nfs/dbraw/zinc/57/83/08/473578308.db2.gz VIOOWEILJQOGKE-GWCFXTLKSA-N 0 1 341.249 2.815 20 10 EFCDMN CC[C@H]([NH2+]C[C@@](C)(O)CCOC)c1cc(Br)ccc1[O-] ZINC000186195928 473613003 /nfs/dbraw/zinc/61/30/03/473613003.db2.gz QCKYKASSGFVVFY-ZFWWWQNUSA-N 0 1 346.265 2.983 20 10 EFCDMN CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000186354329 473658326 /nfs/dbraw/zinc/65/83/26/473658326.db2.gz BNEJXXOUCKRCJZ-JTQLQIEISA-N 0 1 343.265 2.968 20 10 EFCDMN C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cc(Cl)ccc1[O-] ZINC000186375120 473663359 /nfs/dbraw/zinc/66/33/59/473663359.db2.gz NOSFBYKNYGWRKC-DGCLKSJQSA-N 0 1 327.808 2.618 20 10 EFCDMN C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc(Cl)ccc1[O-] ZINC000186375139 473663630 /nfs/dbraw/zinc/66/36/30/473663630.db2.gz NOSFBYKNYGWRKC-AAEUAGOBSA-N 0 1 327.808 2.618 20 10 EFCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000179365740 473680740 /nfs/dbraw/zinc/68/07/40/473680740.db2.gz YGLROLYRGSKXIF-NSHDSACASA-N 0 1 342.233 2.740 20 10 EFCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000179365740 473680742 /nfs/dbraw/zinc/68/07/42/473680742.db2.gz YGLROLYRGSKXIF-NSHDSACASA-N 0 1 342.233 2.740 20 10 EFCDMN O=C(Cc1cccc(F)c1)N1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000179563863 473695200 /nfs/dbraw/zinc/69/52/00/473695200.db2.gz LWQOGYCVGHNKFY-UHFFFAOYSA-N 0 1 342.414 2.808 20 10 EFCDMN C[C@@H](c1ccccc1)N(CCNS(C)(=O)=O)Cc1ccccc1O ZINC000179645324 473702156 /nfs/dbraw/zinc/70/21/56/473702156.db2.gz WCTUQFRNGRUDGW-HNNXBMFYSA-N 0 1 348.468 2.505 20 10 EFCDMN COc1cccc(F)c1NS(=O)(=O)c1cccc2nsnc21 ZINC000192732785 473715679 /nfs/dbraw/zinc/71/56/79/473715679.db2.gz CQUZHSZJVVMRAA-UHFFFAOYSA-N 0 1 339.373 2.640 20 10 EFCDMN CC[C@H]([NH2+]CCCN1CCN(C)CC1)c1cccc(Cl)c1[O-] ZINC000287696005 473736563 /nfs/dbraw/zinc/73/65/63/473736563.db2.gz NKSJAUMKCLWOKQ-INIZCTEOSA-N 0 1 325.884 2.724 20 10 EFCDMN Cc1cccc(CN2CCN(C(=O)Cc3ccccc3F)CC2)c1O ZINC000179875353 473746802 /nfs/dbraw/zinc/74/68/02/473746802.db2.gz XAPQQBLSYPTUGR-UHFFFAOYSA-N 0 1 342.414 2.727 20 10 EFCDMN C[N@H+](Cc1ccccc1N1CCOCC1)Cc1cc(F)ccc1O ZINC000179890840 473749950 /nfs/dbraw/zinc/74/99/50/473749950.db2.gz JTMCZGULZJIUEN-UHFFFAOYSA-N 0 1 330.403 3.000 20 10 EFCDMN COc1ccc(O)c(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000179926771 473756772 /nfs/dbraw/zinc/75/67/72/473756772.db2.gz BTWWEGANKLVVJC-ZDUSSCGKSA-N 0 1 336.432 2.747 20 10 EFCDMN O=C(c1ccsc1)N1CCCN(Cc2cc(F)ccc2O)CC1 ZINC000179948400 473761668 /nfs/dbraw/zinc/76/16/68/473761668.db2.gz QSVSISKZUWRCSM-UHFFFAOYSA-N 0 1 334.416 2.941 20 10 EFCDMN C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1cc(Br)ccc1[O-] ZINC000281558129 473763926 /nfs/dbraw/zinc/76/39/26/473763926.db2.gz JQQRTZAPQSEDBB-MNOVXSKESA-N 0 1 341.249 2.816 20 10 EFCDMN O=C(Nc1cccc(CN2CCSCC2)c1)c1cccc(O)c1O ZINC000187046353 473807286 /nfs/dbraw/zinc/80/72/86/473807286.db2.gz JXJICIMCDULPHA-UHFFFAOYSA-N 0 1 344.436 2.899 20 10 EFCDMN Cc1ccc([C@@H](CNC(=O)c2cccc(O)c2O)N2CCCC2)o1 ZINC000187060152 473810902 /nfs/dbraw/zinc/81/09/02/473810902.db2.gz JMYUAVVOYPOWSJ-CQSZACIVSA-N 0 1 330.384 2.566 20 10 EFCDMN CC[NH+]1CCN(c2cccc(NC(=O)c3ccc([O-])cc3F)c2)CC1 ZINC000187405978 473868274 /nfs/dbraw/zinc/86/82/74/473868274.db2.gz CWBSHJFGPOQEKY-UHFFFAOYSA-N 0 1 343.402 2.926 20 10 EFCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000180433930 473876700 /nfs/dbraw/zinc/87/67/00/473876700.db2.gz BROVDDAWXKFTIF-KBPBESRZSA-N 0 1 331.865 2.833 20 10 EFCDMN COc1cc(O)c(CNCc2nc3cc(C)ccc3n2C)cc1OC ZINC000187587287 473887277 /nfs/dbraw/zinc/88/72/77/473887277.db2.gz GTEGDFHIGLNBAY-UHFFFAOYSA-N 0 1 341.411 2.894 20 10 EFCDMN C[C@H](N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1)C(=O)NCCF ZINC000281931006 473887696 /nfs/dbraw/zinc/88/76/96/473887696.db2.gz AYUDJANIMLMZIO-KBPBESRZSA-N 0 1 339.430 2.941 20 10 EFCDMN C[C@@H](N[C@H](C)c1ccc(N2CCCCC2)c(F)c1)C(=O)NCCF ZINC000281931015 473888086 /nfs/dbraw/zinc/88/80/86/473888086.db2.gz AYUDJANIMLMZIO-ZIAGYGMSSA-N 0 1 339.430 2.941 20 10 EFCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])CC(C)(C)CN1CCOCC1 ZINC000180548310 473902292 /nfs/dbraw/zinc/90/22/92/473902292.db2.gz NGNHENZKGJJMBS-UHFFFAOYSA-N 0 1 326.868 2.836 20 10 EFCDMN O=S1(=O)CCN(Cc2cccc(Cl)c2O)Cc2ccccc21 ZINC000187682665 473903269 /nfs/dbraw/zinc/90/32/69/473903269.db2.gz YLLSYEZMAZIAJW-UHFFFAOYSA-N 0 1 337.828 2.835 20 10 EFCDMN COCCOCCOCCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000274707796 473929620 /nfs/dbraw/zinc/92/96/20/473929620.db2.gz ZQBIKHUEVURCBE-ZDUSSCGKSA-N 0 1 331.840 2.766 20 10 EFCDMN Cc1[nH]nc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1[N+](=O)[O-] ZINC000264233508 473957631 /nfs/dbraw/zinc/95/76/31/473957631.db2.gz KBYDNCZOMGZPRK-UHFFFAOYSA-N 0 1 345.403 2.743 20 10 EFCDMN C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1cc(Br)ccc1[O-] ZINC000282302180 474014904 /nfs/dbraw/zinc/01/49/04/474014904.db2.gz MLRPKDBNFKTPIO-LZVRBXCZSA-N 0 1 332.263 2.716 20 10 EFCDMN C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(Br)cc1[O-] ZINC000282357516 474035535 /nfs/dbraw/zinc/03/55/35/474035535.db2.gz PNNOWSSGBLHJDB-LZVRBXCZSA-N 0 1 332.263 2.716 20 10 EFCDMN C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(Br)cc1[O-] ZINC000282357527 474036807 /nfs/dbraw/zinc/03/68/07/474036807.db2.gz PNNOWSSGBLHJDB-YYSFKGJASA-N 0 1 332.263 2.716 20 10 EFCDMN C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(O)c1 ZINC000181486507 474040294 /nfs/dbraw/zinc/04/02/94/474040294.db2.gz FWNGYVTVXSALHE-OAHLLOKOSA-N 0 1 341.455 2.767 20 10 EFCDMN Oc1ccccc1C[N@@H+](CCCN1CCOCC1)Cc1ccncc1 ZINC000289145450 474162440 /nfs/dbraw/zinc/16/24/40/474162440.db2.gz AOYFXOYSFFYEPD-UHFFFAOYSA-N 0 1 341.455 2.512 20 10 EFCDMN COc1ccc(O)c(CN2CCN(c3ccc(F)c(OC)c3)CC2)c1 ZINC000282997389 474267968 /nfs/dbraw/zinc/26/79/68/474267968.db2.gz KLFUJTVYPCLYAN-UHFFFAOYSA-N 0 1 346.402 2.871 20 10 EFCDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000289560571 474323908 /nfs/dbraw/zinc/32/39/08/474323908.db2.gz IZIRJTRKEATCRX-PYJLPLTJSA-N 0 1 338.791 2.809 20 10 EFCDMN C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000289612056 474345016 /nfs/dbraw/zinc/34/50/16/474345016.db2.gz LGTCXYRFNKOACA-RISCZKNCSA-N 0 1 345.270 2.994 20 10 EFCDMN CN(C)c1ncc(CN(C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000271045408 474381837 /nfs/dbraw/zinc/38/18/37/474381837.db2.gz QWMDXNCKQYPDJC-UHFFFAOYSA-N 0 1 346.500 2.678 20 10 EFCDMN COc1cccc(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1O ZINC000271105221 474401559 /nfs/dbraw/zinc/40/15/59/474401559.db2.gz RGOTYYYAAKQIGI-UHFFFAOYSA-N 0 1 326.396 2.664 20 10 EFCDMN COc1c(C)cnc(CN(C)Cc2cc3c(cc2O)OCO3)c1C ZINC000183785407 474428997 /nfs/dbraw/zinc/42/89/97/474428997.db2.gz GEQUEANAZBDZKG-UHFFFAOYSA-N 0 1 330.384 2.773 20 10 EFCDMN COc1ccc(N2CCN(CCN[C@@H](C)c3cscn3)CC2)cc1 ZINC000271200782 474438272 /nfs/dbraw/zinc/43/82/72/474438272.db2.gz ZGHKBMPAZJSUEK-HNNXBMFYSA-N 0 1 346.500 2.625 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)c1[O-] ZINC000183892258 474443340 /nfs/dbraw/zinc/44/33/40/474443340.db2.gz MRARCIJGHKGDPX-AWEZNQCLSA-N 0 1 337.391 2.709 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)c1[O-] ZINC000183892258 474443342 /nfs/dbraw/zinc/44/33/42/474443342.db2.gz MRARCIJGHKGDPX-AWEZNQCLSA-N 0 1 337.391 2.709 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[NH+]2CCC(CCC(N)=O)CC2)c1[O-] ZINC000271248401 474458388 /nfs/dbraw/zinc/45/83/88/474458388.db2.gz QZNVDPPAOAOVHP-UHFFFAOYSA-N 0 1 338.835 2.726 20 10 EFCDMN Cc1ccc([C@@H](CNC(=O)Cc2ccc(N)cc2)N2CCCC2)o1 ZINC000237878556 474492964 /nfs/dbraw/zinc/49/29/64/474492964.db2.gz ZURCPDLEGKYXQJ-QGZVFWFLSA-N 0 1 327.428 2.666 20 10 EFCDMN COc1c([O-])c(C[NH2+][C@@H]2c3ccccc3O[C@H]2C)ccc1[N+](=O)[O-] ZINC000289985831 474515770 /nfs/dbraw/zinc/51/57/70/474515770.db2.gz BWOYUSNPQQYFGB-BONVTDFDSA-N 0 1 330.340 2.921 20 10 EFCDMN Cc1cccc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1O ZINC000190310288 474576004 /nfs/dbraw/zinc/57/60/04/474576004.db2.gz HDXAGJTWFLHYGC-OAQYLSRUSA-N 0 1 340.467 2.769 20 10 EFCDMN Cc1cccc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1O ZINC000190310288 474576011 /nfs/dbraw/zinc/57/60/11/474576011.db2.gz HDXAGJTWFLHYGC-OAQYLSRUSA-N 0 1 340.467 2.769 20 10 EFCDMN C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc(F)c(F)c1[O-] ZINC000276992147 474576170 /nfs/dbraw/zinc/57/61/70/474576170.db2.gz XPBVQMOLQJFDAU-XZJROXQQSA-N 0 1 340.414 2.699 20 10 EFCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(F)cc2nn[nH]c21 ZINC000277826456 474596847 /nfs/dbraw/zinc/59/68/47/474596847.db2.gz XIPSOYSDWDQVLF-UHFFFAOYSA-N 0 1 341.390 2.825 20 10 EFCDMN COc1c([O-])c(C[N@@H+](C)[C@H](CCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278210011 474603255 /nfs/dbraw/zinc/60/32/55/474603255.db2.gz KFLKESJZZGOJBU-OAHLLOKOSA-N 0 1 346.383 2.865 20 10 EFCDMN COc1c([O-])c(C[N@@H+](C)C2Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000278207422 474603522 /nfs/dbraw/zinc/60/35/22/474603522.db2.gz JTGMGRUMIOHTRW-UHFFFAOYSA-N 0 1 328.368 2.908 20 10 EFCDMN COC(=O)c1ccc2c(c1)CN(Cc1cccc(OC)c1O)CC2 ZINC000272329811 474607909 /nfs/dbraw/zinc/60/79/09/474607909.db2.gz DQUWPGNAQCRXQS-UHFFFAOYSA-N 0 1 327.380 2.746 20 10 EFCDMN COc1c(O)c(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000291560907 474618613 /nfs/dbraw/zinc/61/86/13/474618613.db2.gz NBCMQXAYGWMUBN-BBRMVZONSA-N 0 1 336.388 2.698 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000291560907 474618622 /nfs/dbraw/zinc/61/86/22/474618622.db2.gz NBCMQXAYGWMUBN-BBRMVZONSA-N 0 1 336.388 2.698 20 10 EFCDMN COc1c(O)c(C[N@@H+](C)CCOCc2ccccc2)ccc1[N+](=O)[O-] ZINC000278846789 474870483 /nfs/dbraw/zinc/87/04/83/474870483.db2.gz KREHKTBVDXCNST-UHFFFAOYSA-N 0 1 346.383 2.958 20 10 EFCDMN COc1c([O-])c(C[N@@H+](C)CCOCc2ccccc2)ccc1[N+](=O)[O-] ZINC000278846789 474870498 /nfs/dbraw/zinc/87/04/98/474870498.db2.gz KREHKTBVDXCNST-UHFFFAOYSA-N 0 1 346.383 2.958 20 10 EFCDMN CC(C)N1C[C@@H]([NH2+][C@@H](C)c2cc(Br)ccc2[O-])CC1=O ZINC000273461826 474911797 /nfs/dbraw/zinc/91/17/97/474911797.db2.gz IHLNBIPGOWWKLJ-JQWIXIFHSA-N 0 1 341.249 2.815 20 10 EFCDMN C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc(Br)cc1[O-] ZINC000273466146 474912472 /nfs/dbraw/zinc/91/24/72/474912472.db2.gz DUIPEQWFWMORCP-SNVBAGLBSA-N 0 1 341.249 2.851 20 10 EFCDMN C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc(Br)cc1[O-] ZINC000273514877 474938683 /nfs/dbraw/zinc/93/86/83/474938683.db2.gz SJGSOSIQENOMCM-BONVTDFDSA-N 0 1 344.249 2.593 20 10 EFCDMN C[C@@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273528090 474945793 /nfs/dbraw/zinc/94/57/93/474945793.db2.gz VROGZUPUFISCMP-YMTOWFKASA-N 0 1 338.310 2.963 20 10 EFCDMN COCCN1CC[C@H]([NH2+][C@H](C)c2cc(Br)ccc2[O-])C1 ZINC000273562999 474965636 /nfs/dbraw/zinc/96/56/36/474965636.db2.gz IRCWITSKEFKLCT-YPMHNXCESA-N 0 1 343.265 2.526 20 10 EFCDMN CC(=O)N1CCC[C@H](C[NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000279643266 474983582 /nfs/dbraw/zinc/98/35/82/474983582.db2.gz DCSMGHURJIOQDL-GFCCVEGCSA-N 0 1 341.249 2.503 20 10 EFCDMN CCCCOC[C@H](O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000279982552 475003272 /nfs/dbraw/zinc/00/32/72/475003272.db2.gz JVBUBPOYGXHWGX-QZTJIDSGSA-N 0 1 337.460 2.551 20 10 EFCDMN COC(=O)C(C)(C)CC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000285660346 475036518 /nfs/dbraw/zinc/03/65/18/475036518.db2.gz ZARIPYMXWNXSQV-UHFFFAOYSA-N 0 1 330.222 2.834 20 10 EFCDMN O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000273786469 475055901 /nfs/dbraw/zinc/05/59/01/475055901.db2.gz UJQAQFBHUZMSQV-LBPRGKRZSA-N 0 1 344.242 2.735 20 10 EFCDMN C[C@@H]([NH2+]CCCc1cnn(C)n1)c1cc(Br)ccc1[O-] ZINC000293876268 475056366 /nfs/dbraw/zinc/05/63/66/475056366.db2.gz ZZGHCDABYNYPAO-SNVBAGLBSA-N 0 1 339.237 2.567 20 10 EFCDMN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000268942505 475084446 /nfs/dbraw/zinc/08/44/46/475084446.db2.gz FOQAEGBLYBHHDL-MRXNPFEDSA-N 0 1 327.432 2.695 20 10 EFCDMN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000268942504 475084534 /nfs/dbraw/zinc/08/45/34/475084534.db2.gz FOQAEGBLYBHHDL-INIZCTEOSA-N 0 1 327.432 2.695 20 10 EFCDMN CC1(C)C[C@H](O)CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000295150416 475108451 /nfs/dbraw/zinc/10/84/51/475108451.db2.gz COVMCTLSZAJTJD-GFCCVEGCSA-N 0 1 328.796 2.937 20 10 EFCDMN C[C@H]([NH2+]CC(C)(C)OCCO)c1ccc(Br)cc1[O-] ZINC000287520126 475181738 /nfs/dbraw/zinc/18/17/38/475181738.db2.gz ZPADXZHADHRJIP-JTQLQIEISA-N 0 1 332.238 2.593 20 10 EFCDMN COC1CCN(c2ccc(CN3CCOC[C@@H]3C3CC3)cc2)CC1 ZINC000296240930 475235817 /nfs/dbraw/zinc/23/58/17/475235817.db2.gz IEFVSTWRTQCBQV-HXUWFJFHSA-N 0 1 330.472 2.913 20 10 EFCDMN COc1c([O-])c(C[N@H+](C)[C@H]2CCCc3c2cnn3C)ccc1[N+](=O)[O-] ZINC000369326488 476409296 /nfs/dbraw/zinc/40/92/96/476409296.db2.gz ICZGPYLOZQGNLH-ZDUSSCGKSA-N 0 1 346.387 2.552 20 10 EFCDMN COc1c([O-])c(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)ccc1[N+](=O)[O-] ZINC000369326488 476409301 /nfs/dbraw/zinc/40/93/01/476409301.db2.gz ICZGPYLOZQGNLH-ZDUSSCGKSA-N 0 1 346.387 2.552 20 10 EFCDMN COc1cc(Br)cc(C[N@H+]2CC[C@](O)(C3CC3)C2)c1O ZINC000369675644 476473241 /nfs/dbraw/zinc/47/32/41/476473241.db2.gz HNZAWQLBCIEOCW-OAHLLOKOSA-N 0 1 342.233 2.510 20 10 EFCDMN COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc(Cl)ccc2O)C1 ZINC000377681897 476517833 /nfs/dbraw/zinc/51/78/33/476517833.db2.gz XJKJBTUHMLLXMC-CYBMUJFWSA-N 0 1 337.725 2.973 20 10 EFCDMN NC(=O)[C@@H]1c2ccccc2CCN1Cc1c(O)ccc(Cl)c1F ZINC000364333246 476521281 /nfs/dbraw/zinc/52/12/81/476521281.db2.gz SUCQOFSGIJBKMG-INIZCTEOSA-N 0 1 334.778 2.769 20 10 EFCDMN [O-]c1c(Cl)cccc1C[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000374990312 476625031 /nfs/dbraw/zinc/62/50/31/476625031.db2.gz MDXFDGWXJUPXAI-UHFFFAOYSA-N 0 1 338.879 2.980 20 10 EFCDMN Cn1ccnc1[C@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000377887177 476629840 /nfs/dbraw/zinc/62/98/40/476629840.db2.gz DDJGVUBZOCMKDJ-JTQLQIEISA-N 0 1 336.779 2.677 20 10 EFCDMN CC(C)[C@]1(CO)CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000378130791 476684854 /nfs/dbraw/zinc/68/48/54/476684854.db2.gz OCSKKPSZPJGKKZ-OAHLLOKOSA-N 0 1 328.796 2.794 20 10 EFCDMN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000454874437 477413126 /nfs/dbraw/zinc/41/31/26/477413126.db2.gz MHXFOOISFZSGNO-OKILXGFUSA-N 0 1 328.460 2.721 20 10 EFCDMN CC(=O)N1CC[C@@](C)(C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000377089205 477637176 /nfs/dbraw/zinc/63/71/76/477637176.db2.gz CBUBGSXEPHRXTQ-OAHLLOKOSA-N 0 1 345.226 2.574 20 10 EFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCc2n[nH]cc2C1 ZINC000377089577 477637621 /nfs/dbraw/zinc/63/76/21/477637621.db2.gz NQBFCEXVNWVGSS-QMMMGPOBSA-N 0 1 340.210 2.843 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)c1[O-] ZINC000372679342 477809059 /nfs/dbraw/zinc/80/90/59/477809059.db2.gz BSQMKDRSRSBPNN-CYBMUJFWSA-N 0 1 331.391 2.847 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c1[O-] ZINC000372679342 477809063 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0 1 349.212 2.855 20 10 EFCDMN COC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1O ZINC001232974435 1312823675 /nfs/dbraw/zinc/82/36/75/1312823675.db2.gz OAHGEBXSWXKNTD-LBPRGKRZSA-N 0 1 347.196 2.608 20 10 EFCDMN COC[C@@H]1CCCN1Cc1ccc(I)cc1O ZINC001232974435 1312823678 /nfs/dbraw/zinc/82/36/78/1312823678.db2.gz OAHGEBXSWXKNTD-LBPRGKRZSA-N 0 1 347.196 2.608 20 10 EFCDMN COC[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1[O-] ZINC001232974435 1312823681 /nfs/dbraw/zinc/82/36/81/1312823681.db2.gz OAHGEBXSWXKNTD-LBPRGKRZSA-N 0 1 347.196 2.608 20 10 EFCDMN COC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1[O-] ZINC001232974435 1312823684 /nfs/dbraw/zinc/82/36/84/1312823684.db2.gz OAHGEBXSWXKNTD-LBPRGKRZSA-N 0 1 347.196 2.608 20 10 EFCDMN COC(=O)N1CCC(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000825892923 1290985154 /nfs/dbraw/zinc/98/51/54/1290985154.db2.gz KSOUNBZKIIHBJF-UHFFFAOYSA-N 0 1 326.824 2.922 20 10 EFCDMN CCN(CC)c1ccc(CNC(=O)[C@H](N)c2cccc(OC)c2)cc1 ZINC000876728372 1290991867 /nfs/dbraw/zinc/99/18/67/1290991867.db2.gz KFZXTYLTAQYTHU-LJQANCHMSA-N 0 1 341.455 2.858 20 10 EFCDMN [O-]c1cc(I)ccc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001232978246 1312824657 /nfs/dbraw/zinc/82/46/57/1312824657.db2.gz CZHTZGGHDOXDOD-JOYOIKCWSA-N 0 1 329.181 2.981 20 10 EFCDMN [O-]c1cc(I)ccc1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001232978246 1312824659 /nfs/dbraw/zinc/82/46/59/1312824659.db2.gz CZHTZGGHDOXDOD-JOYOIKCWSA-N 0 1 329.181 2.981 20 10 EFCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@]1(OC)CCOC1 ZINC000876794699 1291024674 /nfs/dbraw/zinc/02/46/74/1291024674.db2.gz ZSAPRACZKWMKNF-OAHLLOKOSA-N 0 1 344.249 2.782 20 10 EFCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@]1(OC)CCOC1 ZINC000876794699 1291024686 /nfs/dbraw/zinc/02/46/86/1291024686.db2.gz ZSAPRACZKWMKNF-OAHLLOKOSA-N 0 1 344.249 2.782 20 10 EFCDMN Clc1ccc(CNCc2ccc(N3CCSCC3)cc2)nn1 ZINC000876942701 1291080493 /nfs/dbraw/zinc/08/04/93/1291080493.db2.gz BUMHZHKLXPQGFV-UHFFFAOYSA-N 0 1 334.876 2.973 20 10 EFCDMN Cn1ccnc1[C@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825927290 1291103107 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Cn1cc(C[N@@H+](C)Cc2c([O-])cc(Br)cc2F)cn1 ZINC001233027191 1312835160 /nfs/dbraw/zinc/83/51/60/1312835160.db2.gz MITDJSYUOMHSIC-UHFFFAOYSA-N 0 1 328.185 2.659 20 10 EFCDMN CN(Cc1cnn(C)c1)Cc1c(O)cc(Br)cc1F ZINC001233027191 1312835164 /nfs/dbraw/zinc/83/51/64/1312835164.db2.gz MITDJSYUOMHSIC-UHFFFAOYSA-N 0 1 328.185 2.659 20 10 EFCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])cc(Br)cc2F)CC[C@H]1O ZINC001233027400 1312835184 /nfs/dbraw/zinc/83/51/84/1312835184.db2.gz RELWULNISQTHFQ-NOZJJQNGSA-N 0 1 332.213 2.887 20 10 EFCDMN CC[N@H+]1CCCN(Cc2c([O-])cc(Br)cc2F)CC1 ZINC001233027798 1312835339 /nfs/dbraw/zinc/83/53/39/1312835339.db2.gz ZRJZVDILMHDUAK-UHFFFAOYSA-N 0 1 331.229 2.821 20 10 EFCDMN COCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@@H]1CC[C@H](C)C1 ZINC000775114507 1291153851 /nfs/dbraw/zinc/15/38/51/1291153851.db2.gz FJCDEBCGLGLXFQ-GXTWGEPZSA-N 0 1 338.404 2.946 20 10 EFCDMN [O-]c1cc(Br)cc(F)c1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC001233028482 1312835905 /nfs/dbraw/zinc/83/59/05/1312835905.db2.gz 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ZINC001233074513 1312849115 /nfs/dbraw/zinc/84/91/15/1312849115.db2.gz JXGKZNXZHLMYJY-ZDUSSCGKSA-N 0 1 337.370 2.540 20 10 EFCDMN CCOC[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])Cc2cn(C)nc21 ZINC001233074513 1312849118 /nfs/dbraw/zinc/84/91/18/1312849118.db2.gz JXGKZNXZHLMYJY-ZDUSSCGKSA-N 0 1 337.370 2.540 20 10 EFCDMN OC[C@H]1CCC[C@H](C(F)(F)F)N1Cc1ccc(F)c(F)c1O ZINC001233074347 1312849324 /nfs/dbraw/zinc/84/93/24/1312849324.db2.gz NXEWVMYSWRPSOY-MWLCHTKSSA-N 0 1 325.277 2.948 20 10 EFCDMN OC[C@@H]1CC[C@H](C(F)(F)F)N(Cc2ccc(F)c(F)c2O)C1 ZINC001233074187 1312849418 /nfs/dbraw/zinc/84/94/18/1312849418.db2.gz KNWXSPNKVWNTIM-LDYMZIIASA-N 0 1 325.277 2.806 20 10 EFCDMN [O-]c1c(C[N@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)ccc(F)c1F ZINC001233077822 1312849813 /nfs/dbraw/zinc/84/98/13/1312849813.db2.gz WAEHCHYJLKWVSL-KSSFIOAISA-N 0 1 339.382 2.830 20 10 EFCDMN CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@@H+](Cc3ccc(F)c(F)c3[O-])C[C@H]21 ZINC001233076192 1312850064 /nfs/dbraw/zinc/85/00/64/1312850064.db2.gz 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COc1cc([O-])c(C[N@@H+]2CC[C@@H](O)[C@@H](C)CC2)cc1Br ZINC001233135724 1312862933 /nfs/dbraw/zinc/86/29/33/1312862933.db2.gz YPLZHFBBJBNMQK-GXFFZTMASA-N 0 1 344.249 2.756 20 10 EFCDMN COc1cc(O)c(CN2CC[C@@H]3CCO[C@H]3C2)cc1Br ZINC001233137420 1312864484 /nfs/dbraw/zinc/86/44/84/1312864484.db2.gz MYMPEVUIBPKLJP-BMIGLBTASA-N 0 1 342.233 2.774 20 10 EFCDMN COc1cc([O-])c(C[N@H+](C)[C@@H]2CCCOC2)cc1Br ZINC001233142254 1312864824 /nfs/dbraw/zinc/86/48/24/1312864824.db2.gz NEXIDVVBTBDRHA-LLVKDONJSA-N 0 1 330.222 2.774 20 10 EFCDMN COc1cc([O-])c(C[N@@H+](C)[C@@H]2CCCOC2)cc1Br ZINC001233142254 1312864827 /nfs/dbraw/zinc/86/48/27/1312864827.db2.gz NEXIDVVBTBDRHA-LLVKDONJSA-N 0 1 330.222 2.774 20 10 EFCDMN CCN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CN(CC2CCC2)C1 ZINC000957442647 1291570961 /nfs/dbraw/zinc/57/09/61/1291570961.db2.gz HCXFTEBPPJDCEH-UHFFFAOYSA-N 0 1 343.431 2.795 20 10 EFCDMN CCO[C@@H]1CCN(Cc2cc(Br)c(OC)cc2O)C1 ZINC001233141062 1312865535 /nfs/dbraw/zinc/86/55/35/1312865535.db2.gz DPGFHKWVYAKXAL-LLVKDONJSA-N 0 1 330.222 2.774 20 10 EFCDMN COc1cc(O)c(CN2CCC[C@@]3(CCO3)C2)cc1Br ZINC001233140326 1312865559 /nfs/dbraw/zinc/86/55/59/1312865559.db2.gz DVKIYGSUWTXKES-OAHLLOKOSA-N 0 1 342.233 2.918 20 10 EFCDMN CCN(C)C(=O)[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])C(C)C ZINC000826048336 1291711781 /nfs/dbraw/zinc/71/17/81/1291711781.db2.gz HUEVIYBANNHYBT-AWEZNQCLSA-N 0 1 343.265 2.747 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)c3cc(C)co3)cc2F)CC1 ZINC000878761926 1291777443 /nfs/dbraw/zinc/77/74/43/1291777443.db2.gz RTJLDIVLBKAINZ-UHFFFAOYSA-N 0 1 345.418 2.799 20 10 EFCDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCCCSc1nccs1 ZINC000878834072 1291808018 /nfs/dbraw/zinc/80/80/18/1291808018.db2.gz KJOOIVPEYRXEQA-ZWNOBZJWSA-N 0 1 336.486 2.831 20 10 EFCDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)NCCCSc1nccs1 ZINC000878834069 1291808599 /nfs/dbraw/zinc/80/85/99/1291808599.db2.gz KJOOIVPEYRXEQA-GWCFXTLKSA-N 0 1 336.486 2.831 20 10 EFCDMN Cc1cc(NS(=O)(=O)c2c[nH]c3ncccc23)c(C)c(C)c1O ZINC000775291495 1291818644 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[O-]c1c(Cl)cc(F)cc1C[N@H+]1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001237811890 1313711533 /nfs/dbraw/zinc/71/15/33/1313711533.db2.gz CWUHHRQJWMOWKF-NUEKZKHPSA-N 0 1 341.810 2.811 20 10 EFCDMN CCCc1ccc(S(=O)(=O)[N-]c2cccc(N3CC([NH3+])C3)c2)cc1 ZINC001237814337 1313712048 /nfs/dbraw/zinc/71/20/48/1313712048.db2.gz SDXKFHHIMTVXDF-UHFFFAOYSA-N 0 1 345.468 2.587 20 10 EFCDMN C[N@H+]1CCC[C@H]2CN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC[C@H]21 ZINC000245736639 1300754743 /nfs/dbraw/zinc/75/47/43/1300754743.db2.gz FRXFVGGFECMLEQ-SMDDNHRTSA-N 0 1 339.823 2.870 20 10 EFCDMN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001237936122 1313733895 /nfs/dbraw/zinc/73/38/95/1313733895.db2.gz BJGOUVSOIRTZJS-BETUJISGSA-N 0 1 348.809 2.543 20 10 EFCDMN CCN1CC[C@@]2(C[N@@H+](Cc3cc(F)c(Cl)cc3[O-])C[C@@H]2C)C1=O ZINC001237936412 1313733909 /nfs/dbraw/zinc/73/39/09/1313733909.db2.gz COIXBIYRDCEBRK-GTNSWQLSSA-N 0 1 340.826 2.875 20 10 EFCDMN CCOC[C@H]1CN(Cc2cc(F)cc(C)c2O)Cc2cn(C)nc21 ZINC001238062516 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Cn1ccnc1[C@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862368683 1302351571 /nfs/dbraw/zinc/35/15/71/1302351571.db2.gz LFWZYUCUFOVCDP-NSHDSACASA-N 0 1 336.233 2.878 20 10 EFCDMN Cn1ccnc1[C@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862368683 1302351585 /nfs/dbraw/zinc/35/15/85/1302351585.db2.gz LFWZYUCUFOVCDP-NSHDSACASA-N 0 1 336.233 2.878 20 10 EFCDMN COC(=O)[C@@H]1CN(Cc2cccc(OC)c2O)Cc2ccccc21 ZINC000862536541 1302408229 /nfs/dbraw/zinc/40/82/29/1302408229.db2.gz JQIVZUZYWZUKKJ-MRXNPFEDSA-N 0 1 327.380 2.673 20 10 EFCDMN O=C(N1CCCC12CC2)[C@]12C[C@H]1CCN2Cc1cc(F)ccc1O ZINC001278254749 1313843722 /nfs/dbraw/zinc/84/37/22/1313843722.db2.gz GKFQEKUZTONVCL-KUHUBIRLSA-N 0 1 330.403 2.651 20 10 EFCDMN Cc1c(CN2CC3(C2)CN(C(=O)NC(C)C)C3)c2ccccc2n1C ZINC001276555925 1313849001 /nfs/dbraw/zinc/84/90/01/1313849001.db2.gz HOYXAYPHNPMDEF-UHFFFAOYSA-N 0 1 340.471 2.722 20 10 EFCDMN CC[C@@H]1CC[N@@H+](Cc2cc(C(C)=O)cc(CN3CCOCC3)c2[O-])C1 ZINC000119459443 1302617818 /nfs/dbraw/zinc/61/78/18/1302617818.db2.gz 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CCOC(=O)[C@@H]1CC[C@H](N2CCN(c3ccc(OCC)cc3)CC2)C1 ZINC001257073247 1316030551 /nfs/dbraw/zinc/03/05/51/1316030551.db2.gz YKVIAVRRPHSYHT-AEFFLSMTSA-N 0 1 346.471 2.939 20 10 EFCDMN Cc1cc(O)cc(C)c1NS(=O)(=O)c1cccc2nsnc21 ZINC001260388644 1316336747 /nfs/dbraw/zinc/33/67/47/1316336747.db2.gz RNAXFXUVNYRGQF-UHFFFAOYSA-N 0 1 335.410 2.815 20 10 EFCDMN CCOc1cccc(F)c1NS(=O)(=O)c1cccc2nonc21 ZINC001260442153 1316338962 /nfs/dbraw/zinc/33/89/62/1316338962.db2.gz NQDLIGJFPCWINX-UHFFFAOYSA-N 0 1 337.332 2.561 20 10 EFCDMN COc1ccc(N2CCCN(C(=O)c3cnc(C4CC4)[nH]3)CC2)cc1 ZINC001319097890 1328779635 /nfs/dbraw/zinc/77/96/35/1328779635.db2.gz KZWCIXKBQRXWNB-UHFFFAOYSA-N 0 1 340.427 2.648 20 10 EFCDMN Cc1cc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n[nH]1 ZINC000738430718 1321980180 /nfs/dbraw/zinc/98/01/80/1321980180.db2.gz IWMYHAFMQHWJFR-UHFFFAOYSA-N 0 1 329.404 2.906 20 10 EFCDMN Cc1cc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[nH]n1 ZINC000738430718 1321980183 /nfs/dbraw/zinc/98/01/83/1321980183.db2.gz 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ZINC001326461488 1329758460 /nfs/dbraw/zinc/75/84/60/1329758460.db2.gz TVZIPSPRXYXVJU-UHFFFAOYSA-N 0 1 348.406 2.782 20 10 EFCDMN O=C(NCCC[NH2+]Cc1c([O-])cccc1Br)C1CCC1 ZINC001331499326 1330844038 /nfs/dbraw/zinc/84/40/38/1330844038.db2.gz SBARFQLLRQTXGS-UHFFFAOYSA-N 0 1 341.249 2.551 20 10 EFCDMN CCOc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)[nH]n1 ZINC001331879626 1330884556 /nfs/dbraw/zinc/88/45/56/1330884556.db2.gz UFDSABXJCLPRBV-UHFFFAOYSA-N 0 1 330.171 2.751 20 10 EFCDMN CN1CCN(c2ccc(CNc3ccc4c(n3)CCC4=O)cc2)CC1 ZINC001331924669 1330891626 /nfs/dbraw/zinc/89/16/26/1330891626.db2.gz JLOZLZDFXQYDGQ-UHFFFAOYSA-N 0 1 336.439 2.574 20 10 EFCDMN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1nnc[nH]1 ZINC001333258051 1331100766 /nfs/dbraw/zinc/10/07/66/1331100766.db2.gz FQBPPNVABGXWCT-UHFFFAOYSA-N 0 1 343.412 2.752 20 10 EFCDMN CN1CCN(c2ccc(CNC(=O)N[C@@H]3CCC[C@H](F)C3)cc2)CC1 ZINC001333488630 1331153781 /nfs/dbraw/zinc/15/37/81/1331153781.db2.gz JFIZTLNIESTSDE-DLBZAZTESA-N 0 1 348.466 2.518 20 10 EFCDMN 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328.206 2.697 20 10 EFCDMN COCC[N@@H+](CCC(=O)[O-])Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001594011473 957004933 /nfs/dbraw/zinc/00/49/33/957004933.db2.gz VKQMTCQFOHPLDN-UHFFFAOYSA-N 0 1 339.432 2.621 20 10 EFCDMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000700994237 968983921 /nfs/dbraw/zinc/98/39/21/968983921.db2.gz WLBSPMYCZSXETL-ONGXEEELSA-N 0 1 328.206 2.697 20 10 EFCDMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000706674446 969018194 /nfs/dbraw/zinc/01/81/94/969018194.db2.gz ZFLUMEJIKFUCOU-UWVGGRQHSA-N 0 1 328.206 2.697 20 10 EFCDMN COc1ccc(N2CCC[N@@H+](CCC3(C(=O)[O-])CCC3)CC2)cc1 ZINC000903698136 969590994 /nfs/dbraw/zinc/59/09/94/969590994.db2.gz SPANBGILKZWRHQ-UHFFFAOYSA-N 0 1 332.444 2.852 20 10 EFCDMN Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@]2(C)C(=O)[O-])c1 ZINC001605101917 972755573 /nfs/dbraw/zinc/75/55/73/972755573.db2.gz IORSXAHJDUYHJG-CQSZACIVSA-N 0 1 328.206 2.902 20 10 EFCDMN Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@]2(C)C(=O)[O-])c1 ZINC001605101917 972755579 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CCC[N@@H+](CC(=O)Nc1cccc(C(=O)[O-])c1)Cc1ccccc1O ZINC001595846296 982772938 /nfs/dbraw/zinc/77/29/38/982772938.db2.gz RALWOXUPJMEGHG-UHFFFAOYSA-N 0 1 342.395 2.941 20 10 EFCDMN CCCN(CCC)c1ccc(C[N@H+]2CCC[C@@H](O)[C@H]2C(=O)[O-])cc1 ZINC001595877570 982866148 /nfs/dbraw/zinc/86/61/48/982866148.db2.gz GYQCJBXPCADCET-MSOLQXFVSA-N 0 1 334.460 2.723 20 10 EFCDMN CCCN(CCC)c1ccc(C[N@H+]2CCC[C@H](O)[C@H]2C(=O)[O-])cc1 ZINC001595877572 982866752 /nfs/dbraw/zinc/86/67/52/982866752.db2.gz GYQCJBXPCADCET-ROUUACIJSA-N 0 1 334.460 2.723 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])c1O ZINC001589267703 985947486 /nfs/dbraw/zinc/94/74/86/985947486.db2.gz HVCDUWMLXIOTLL-OTYXRUKQSA-N 0 1 325.792 2.933 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@](C)(C(=O)[O-])C2)c1O ZINC001589268260 985953346 /nfs/dbraw/zinc/95/33/46/985953346.db2.gz PXUITMRXFKBDCD-MRXNPFEDSA-N 0 1 325.792 2.935 20 10 EFCDMN CCOc1ccc(C[C@H](C[NH2+]Cc2cccc(F)c2O)C(=O)[O-])cc1 ZINC001597094747 986681563 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ZINC000296245413 241078838 /nfs/dbraw/zinc/07/88/38/241078838.db2.gz LGKXYIMEDJEHBV-HNNXBMFYSA-N 0 1 340.851 2.841 20 10 EFCDMN CC[C@H](C)N1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000297248513 241118636 /nfs/dbraw/zinc/11/86/36/241118636.db2.gz NMWOMRFCEGBXED-KRWDZBQOSA-N 0 1 342.487 2.689 20 10 EFCDMN O=C(Nc1nc(C2CCOCC2)cs1)c1c(F)ccc(O)c1O ZINC000295746110 241063100 /nfs/dbraw/zinc/06/31/00/241063100.db2.gz NUPUVWKSPYYCMH-UHFFFAOYSA-N 0 1 338.360 2.840 20 10 EFCDMN CCCCN(Cc1ccccc1O)C(=O)NCc1n[nH]c(CC)n1 ZINC000297598747 241127778 /nfs/dbraw/zinc/12/77/78/241127778.db2.gz VQWOATNTKBZEFO-UHFFFAOYSA-N 0 1 331.420 2.585 20 10 EFCDMN NS(=O)(=O)c1cccc(NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000021806338 212252392 /nfs/dbraw/zinc/25/23/92/212252392.db2.gz RELMAJHHTJQHKR-UHFFFAOYSA-N 0 1 347.223 2.959 20 10 EFCDMN CC(=O)N1CC[C@](C)(C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000377089203 242496392 /nfs/dbraw/zinc/49/63/92/242496392.db2.gz CBUBGSXEPHRXTQ-HNNXBMFYSA-N 0 1 345.226 2.574 20 10 EFCDMN CC(C)[N@H+](CCS(C)(=O)=O)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093707854 544556155 /nfs/dbraw/zinc/55/61/55/544556155.db2.gz GNCAJWSIPHLDNW-UHFFFAOYSA-N 0 1 340.272 2.954 20 10 EFCDMN CC(C)[N@@H+](CCS(C)(=O)=O)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093707854 544556158 /nfs/dbraw/zinc/55/61/58/544556158.db2.gz GNCAJWSIPHLDNW-UHFFFAOYSA-N 0 1 340.272 2.954 20 10 EFCDMN CCOc1cccc(CN[C@@H](CS(C)(=O)=O)c2ccccc2)c1O ZINC000154938876 276380387 /nfs/dbraw/zinc/38/03/87/276380387.db2.gz ULFXWHKHUFTTCV-INIZCTEOSA-N 0 1 349.452 2.666 20 10 EFCDMN CCCCN(CC(N)=O)Cc1cc(Br)cc(C)c1O ZINC000124551261 473261362 /nfs/dbraw/zinc/26/13/62/473261362.db2.gz NBYZCZZNLBWUGV-UHFFFAOYSA-N 0 1 329.238 2.551 20 10 EFCDMN C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000185179422 473353032 /nfs/dbraw/zinc/35/30/32/473353032.db2.gz ZMSCPFGYAXXYDY-SNVBAGLBSA-N 0 1 326.318 2.875 20 10 EFCDMN CCN(CC(=O)N(C)C1CC1)Cc1cc(Br)ccc1O ZINC000076118593 472276960 /nfs/dbraw/zinc/27/69/60/472276960.db2.gz ANBCCHPYIZQLRW-UHFFFAOYSA-N 0 1 341.249 2.597 20 10 EFCDMN CN(C)c1ccc(CNC(=O)NC[C@@H](c2cccs2)N(C)C)cc1 ZINC000031726672 472390829 /nfs/dbraw/zinc/39/08/29/472390829.db2.gz PDWNAQYTXAMVHN-INIZCTEOSA-N 0 1 346.500 2.916 20 10 EFCDMN CCCOc1ccc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c(O)c1 ZINC000128532261 472466118 /nfs/dbraw/zinc/46/61/18/472466118.db2.gz KEGBZRKCBKPUBU-OAHLLOKOSA-N 0 1 330.432 2.685 20 10 EFCDMN CCCOc1ccc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)c(O)c1 ZINC000128532042 472466239 /nfs/dbraw/zinc/46/62/39/472466239.db2.gz KEGBZRKCBKPUBU-HNNXBMFYSA-N 0 1 330.432 2.685 20 10 EFCDMN COc1cccc(CN2CCN(Cc3cccc(F)c3)CC2)c1O ZINC000129150859 472524963 /nfs/dbraw/zinc/52/49/63/472524963.db2.gz NDULHLKMNWJZPX-UHFFFAOYSA-N 0 1 330.403 2.858 20 10 EFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1[O-] ZINC000129946171 472575148 /nfs/dbraw/zinc/57/51/48/472575148.db2.gz TXRUBVFUJNEGNC-JTQLQIEISA-N 0 1 326.780 2.955 20 10 EFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000119847321 472589834 /nfs/dbraw/zinc/58/98/34/472589834.db2.gz YABWIYYFRFJELC-GFCCVEGCSA-N 0 1 332.835 2.963 20 10 EFCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000119847321 472589837 /nfs/dbraw/zinc/58/98/37/472589837.db2.gz YABWIYYFRFJELC-GFCCVEGCSA-N 0 1 332.835 2.963 20 10 EFCDMN CCN(Cc1ccccc1)c1ccc(CNCCS(C)(=O)=O)cc1 ZINC000062423187 472736663 /nfs/dbraw/zinc/73/66/63/472736663.db2.gz KQAYURQGYPCFFF-UHFFFAOYSA-N 0 1 346.496 2.847 20 10 EFCDMN CC[N@@H+](C)[C@@H](C(=O)NCc1cccc(OC)c1O)c1ccccc1 ZINC000105649791 472765942 /nfs/dbraw/zinc/76/59/42/472765942.db2.gz UCPFWQBZZYUQSZ-QGZVFWFLSA-N 0 1 328.412 2.710 20 10 EFCDMN CCN(C)[C@@H](C(=O)NCc1cccc(OC)c1O)c1ccccc1 ZINC000105649791 472765949 /nfs/dbraw/zinc/76/59/49/472765949.db2.gz UCPFWQBZZYUQSZ-QGZVFWFLSA-N 0 1 328.412 2.710 20 10 EFCDMN CCN(Cc1cc(Br)ccc1O)C[C@H](O)C(F)(F)F ZINC000121399564 472846116 /nfs/dbraw/zinc/84/61/16/472846116.db2.gz DSTWITQNJTYJNL-NSHDSACASA-N 0 1 342.155 2.900 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)/C=C(/C)C3CC3)cc2F)CC1 ZINC000106702810 472882974 /nfs/dbraw/zinc/88/29/74/472882974.db2.gz AHLWFBKJLQXWAS-QINSGFPZSA-N 0 1 345.462 2.940 20 10 EFCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccnc1 ZINC000158029530 472884628 /nfs/dbraw/zinc/88/46/28/472884628.db2.gz FEKPPPJOGRKVIH-MRXNPFEDSA-N 0 1 345.830 2.835 20 10 EFCDMN CO[C@H](C)CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134261129 472889973 /nfs/dbraw/zinc/88/99/73/472889973.db2.gz YTJBWMMSKIOZRN-IUODEOHRSA-N 0 1 340.851 2.551 20 10 EFCDMN COc1ccc(N2CCN(C[C@H](O)c3ccc(F)cc3)CC2)cc1F ZINC000121982549 472959269 /nfs/dbraw/zinc/95/92/69/472959269.db2.gz HTZIZQNWYMVORC-SFHVURJKSA-N 0 1 348.393 2.829 20 10 EFCDMN COc1ccccc1CN1CCN(Cc2cccc(OC)c2O)CC1 ZINC000093048464 473033625 /nfs/dbraw/zinc/03/36/25/473033625.db2.gz WEXHCTAUIDLKEW-UHFFFAOYSA-N 0 1 342.439 2.727 20 10 EFCDMN Cc1[nH]ncc1CCCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000080612767 473056322 /nfs/dbraw/zinc/05/63/22/473056322.db2.gz SWKIEELGGJJAGW-UHFFFAOYSA-N 0 1 342.443 2.735 20 10 EFCDMN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(F)cc1O ZINC000123241051 473115800 /nfs/dbraw/zinc/11/58/00/473115800.db2.gz SWQGLWMHELTMPS-UHFFFAOYSA-N 0 1 344.386 2.640 20 10 EFCDMN COc1ccccc1CNC(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000109773022 473119356 /nfs/dbraw/zinc/11/93/56/473119356.db2.gz AZKAEUOUKJJQPD-AWEZNQCLSA-N 0 1 328.412 2.538 20 10 EFCDMN CCOc1cccc(CNC(=O)CN(C)Cc2ccccc2O)c1 ZINC000109773203 473120223 /nfs/dbraw/zinc/12/02/23/473120223.db2.gz QAZOGIOJXNJRTL-UHFFFAOYSA-N 0 1 328.412 2.539 20 10 EFCDMN C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)N(C)Cc1ccccc1O ZINC000111235635 473197690 /nfs/dbraw/zinc/19/76/90/473197690.db2.gz VJPQWCXKQHAQJE-WMLDXEAASA-N 0 1 340.423 2.853 20 10 EFCDMN COc1ccc(Cl)cc1CNC(=O)CN(C)Cc1ccccc1O ZINC000111235989 473197735 /nfs/dbraw/zinc/19/77/35/473197735.db2.gz OZIHZXLEQUGJDH-UHFFFAOYSA-N 0 1 348.830 2.802 20 10 EFCDMN Cc1cccc(OCCNC(=O)[C@@H](C)N(C)Cc2ccccc2O)c1 ZINC000111236083 473198039 /nfs/dbraw/zinc/19/80/39/473198039.db2.gz DIVHZMHYLHCOCE-MRXNPFEDSA-N 0 1 342.439 2.716 20 10 EFCDMN CCOCc1ccccc1CNC(=O)CN(C)Cc1ccccc1O ZINC000111235205 473198508 /nfs/dbraw/zinc/19/85/08/473198508.db2.gz KIGUSFOHFLEKEC-UHFFFAOYSA-N 0 1 342.439 2.677 20 10 EFCDMN COCC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000185466785 473434572 /nfs/dbraw/zinc/43/45/72/473434572.db2.gz CVBHJNCHHLBTIY-HZMBPMFUSA-N 0 1 332.238 2.593 20 10 EFCDMN COCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185467912 473435027 /nfs/dbraw/zinc/43/50/27/473435027.db2.gz RPHAUNKKYHPQMM-HZMBPMFUSA-N 0 1 332.238 2.593 20 10 EFCDMN CCn1cc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cn1 ZINC000151536733 473470496 /nfs/dbraw/zinc/47/04/96/473470496.db2.gz SMQLPLUMVXQSLT-AWEZNQCLSA-N 0 1 346.450 2.854 20 10 EFCDMN C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1cc(Br)ccc1[O-] ZINC000185638261 473474859 /nfs/dbraw/zinc/47/48/59/473474859.db2.gz IUFCXKIAXLCJPS-ZANVPECISA-N 0 1 332.263 2.673 20 10 EFCDMN CC[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])C(=O)N1CCOCC1 ZINC000185665054 473483296 /nfs/dbraw/zinc/48/32/96/473483296.db2.gz QDRBYWMXNUBDTN-KSSFIOAISA-N 0 1 342.439 2.833 20 10 EFCDMN CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])N1CCN(C)CC1 ZINC000191197407 473505025 /nfs/dbraw/zinc/50/50/25/473505025.db2.gz WQKSSYUWGWVBTI-XJKSGUPXSA-N 0 1 341.446 2.593 20 10 EFCDMN CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(Br)ccc2[O-])C1 ZINC000185787218 473513726 /nfs/dbraw/zinc/51/37/26/473513726.db2.gz SGOCQDRZABMUJL-PWSUYJOCSA-N 0 1 341.249 2.816 20 10 EFCDMN CC(C)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2[O-])C1=O ZINC000186048663 473579196 /nfs/dbraw/zinc/57/91/96/473579196.db2.gz BIZQMAMQBGWMTQ-GXFFZTMASA-N 0 1 341.249 2.815 20 10 EFCDMN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1O ZINC000179553041 473693957 /nfs/dbraw/zinc/69/39/57/473693957.db2.gz MQQRBJCZVDSSPT-UHFFFAOYSA-N 0 1 342.395 2.624 20 10 EFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1[O-] ZINC000245718948 473740296 /nfs/dbraw/zinc/74/02/96/473740296.db2.gz HOJBIRAAGCJUIJ-IINYFYTJSA-N 0 1 326.780 2.955 20 10 EFCDMN COc1cc([C@H](C)NCc2ccc(N3CCOCC3)cc2)c(F)cn1 ZINC000287731577 473745950 /nfs/dbraw/zinc/74/59/50/473745950.db2.gz PDUGVVPNIVMJGE-AWEZNQCLSA-N 0 1 345.418 2.917 20 10 EFCDMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cccc(O)c1O ZINC000186974240 473791805 /nfs/dbraw/zinc/79/18/05/473791805.db2.gz RAPIIUGYFHWWKM-UHFFFAOYSA-N 0 1 344.386 2.631 20 10 EFCDMN COc1ccncc1CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000287926875 473800240 /nfs/dbraw/zinc/80/02/40/473800240.db2.gz WMFZXOFOUJFBIC-OAHLLOKOSA-N 0 1 327.428 2.778 20 10 EFCDMN Cc1[nH]ncc1CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000274560633 473876708 /nfs/dbraw/zinc/87/67/08/473876708.db2.gz FYMKAMDSABQWIJ-UHFFFAOYSA-N 0 1 329.448 2.904 20 10 EFCDMN Cc1cc(Br)cc(C[N@H+]2CCC[C@H](CC(N)=O)C2)c1O ZINC000180559978 473905003 /nfs/dbraw/zinc/90/50/03/473905003.db2.gz SZTCYNHDYUBXES-LLVKDONJSA-N 0 1 341.249 2.551 20 10 EFCDMN COc1cc(O)c(CNCc2cn3cccc(C)c3n2)cc1OC ZINC000181338204 474027178 /nfs/dbraw/zinc/02/71/78/474027178.db2.gz RDSRIEQAZVXNSD-UHFFFAOYSA-N 0 1 327.384 2.655 20 10 EFCDMN CCCC[N@@H+](Cc1ccccc1O)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000282358967 474036407 /nfs/dbraw/zinc/03/64/07/474036407.db2.gz DBIKCJPGBSFBIE-KRWDZBQOSA-N 0 1 342.443 2.533 20 10 EFCDMN Cc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c(O)c1O ZINC000181776818 474063535 /nfs/dbraw/zinc/06/35/35/474063535.db2.gz FVVMSTFOXLWUHR-CQSZACIVSA-N 0 1 330.384 2.566 20 10 EFCDMN CC(=O)NCC1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000219487216 474148288 /nfs/dbraw/zinc/14/82/88/474148288.db2.gz BARAFLVELUXDPC-UHFFFAOYSA-N 0 1 341.249 2.503 20 10 EFCDMN CS(=O)(=O)[C@H]1CCN(Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000282823993 474207691 /nfs/dbraw/zinc/20/76/91/474207691.db2.gz UIJRNQVOSRRHAR-KRWDZBQOSA-N 0 1 331.437 2.678 20 10 EFCDMN C[C@H](CS(C)(=O)=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000182676399 474231179 /nfs/dbraw/zinc/23/11/79/474231179.db2.gz UHTNZVKELPYEML-OAHLLOKOSA-N 0 1 338.517 2.978 20 10 EFCDMN COC(=O)c1ccc(CNCc2cc(Cl)cc(OC)c2O)o1 ZINC000289530661 474310944 /nfs/dbraw/zinc/31/09/44/474310944.db2.gz VZSUDOYNBWBGSC-UHFFFAOYSA-N 0 1 325.748 2.724 20 10 EFCDMN CCN(CC)c1ccc(CNCc2cnn(CCOC)c2)cc1F ZINC000266208351 474425175 /nfs/dbraw/zinc/42/51/75/474425175.db2.gz NLFXQLWTZDYSHK-UHFFFAOYSA-N 0 1 334.439 2.805 20 10 EFCDMN Oc1ccc(F)cc1CNCc1ccncc1OC[C@@H]1CCOC1 ZINC000290272598 474564491 /nfs/dbraw/zinc/56/44/91/474564491.db2.gz YCUGRSVNSVKHIQ-CYBMUJFWSA-N 0 1 332.375 2.631 20 10 EFCDMN C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000276647484 474567400 /nfs/dbraw/zinc/56/74/00/474567400.db2.gz YKSLYMOUQSINAI-STQMWFEESA-N 0 1 338.423 2.725 20 10 EFCDMN CCN(CC)c1ccc(CN2CC[C@@H](N3CCCC3=O)C2)cc1F ZINC000276859089 474573948 /nfs/dbraw/zinc/57/39/48/474573948.db2.gz WLGDDCIUAHNZKI-MRXNPFEDSA-N 0 1 333.451 2.869 20 10 EFCDMN c1nnc([C@@H](NCc2ccc(N3CCCC3)cc2)c2cccnc2)[nH]1 ZINC000284128042 474578455 /nfs/dbraw/zinc/57/84/55/474578455.db2.gz ODEVIPWFKOHNBJ-SFHVURJKSA-N 0 1 334.427 2.679 20 10 EFCDMN COc1cccc([C@H](C)NCC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000271664086 474584475 /nfs/dbraw/zinc/58/44/75/474584475.db2.gz LPABKNAVTAADJL-HNNXBMFYSA-N 0 1 341.455 2.728 20 10 EFCDMN Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000271757442 474589067 /nfs/dbraw/zinc/58/90/67/474589067.db2.gz DACIWBRWEVNMQH-BBRMVZONSA-N 0 1 335.835 2.725 20 10 EFCDMN Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1C ZINC000290999851 474590131 /nfs/dbraw/zinc/59/01/31/474590131.db2.gz ASTVDDFDZQYBDK-ZDUSSCGKSA-N 0 1 344.377 2.900 20 10 EFCDMN Cc1cc(O)c(C[N@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1C ZINC000290999851 474590136 /nfs/dbraw/zinc/59/01/36/474590136.db2.gz ASTVDDFDZQYBDK-ZDUSSCGKSA-N 0 1 344.377 2.900 20 10 EFCDMN CCOc1ccc(O)c(CN2CCN(Cc3ccncc3)CC2)c1 ZINC000184714031 474593526 /nfs/dbraw/zinc/59/35/26/474593526.db2.gz PTRKFAHWOFMHCM-UHFFFAOYSA-N 0 1 327.428 2.504 20 10 EFCDMN COc1c([O-])c(C[N@@H+]2CCN(C)c3ccccc3C2)ccc1[N+](=O)[O-] ZINC000278204945 474603069 /nfs/dbraw/zinc/60/30/69/474603069.db2.gz JLMNWSQAISVACH-UHFFFAOYSA-N 0 1 343.383 2.761 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CCN(C)c3ccccc3C2)ccc1[N+](=O)[O-] ZINC000278204945 474603074 /nfs/dbraw/zinc/60/30/74/474603074.db2.gz JLMNWSQAISVACH-UHFFFAOYSA-N 0 1 343.383 2.761 20 10 EFCDMN COc1c([O-])c(C[N@@H+]2CCC[C@@H]2c2cccn2C)ccc1[N+](=O)[O-] ZINC000278229455 474603780 /nfs/dbraw/zinc/60/37/80/474603780.db2.gz MNAOYRJVHDRKNY-CQSZACIVSA-N 0 1 331.372 2.985 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H]2c2cccn2C)ccc1[N+](=O)[O-] ZINC000278229455 474603786 /nfs/dbraw/zinc/60/37/86/474603786.db2.gz MNAOYRJVHDRKNY-CQSZACIVSA-N 0 1 331.372 2.985 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CCCC3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000278249080 474604715 /nfs/dbraw/zinc/60/47/15/474604715.db2.gz OYLBPFGJQRHFIC-UHFFFAOYSA-N 0 1 336.388 2.702 20 10 EFCDMN Oc1cc2c(cc1CN1CCC[C@@H](Oc3ncccc3F)C1)OCO2 ZINC000278285858 474604900 /nfs/dbraw/zinc/60/49/00/474604900.db2.gz QTXQQBMDDHYPFM-CYBMUJFWSA-N 0 1 346.358 2.698 20 10 EFCDMN COc1c(O)c(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000291560923 474618998 /nfs/dbraw/zinc/61/89/98/474618998.db2.gz NBCMQXAYGWMUBN-CJNGLKHVSA-N 0 1 336.388 2.698 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000291560923 474619005 /nfs/dbraw/zinc/61/90/05/474619005.db2.gz NBCMQXAYGWMUBN-CJNGLKHVSA-N 0 1 336.388 2.698 20 10 EFCDMN Cc1cc(C[N@@H+](CCS(C)(=O)=O)C(C)(C)C)ccc1N(C)C ZINC000292827679 474663044 /nfs/dbraw/zinc/66/30/44/474663044.db2.gz ONOQMNUFUGXSPR-UHFFFAOYSA-N 0 1 326.506 2.706 20 10 EFCDMN Cc1cc(CN(CCS(C)(=O)=O)C(C)(C)C)ccc1N(C)C ZINC000292827679 474663053 /nfs/dbraw/zinc/66/30/53/474663053.db2.gz ONOQMNUFUGXSPR-UHFFFAOYSA-N 0 1 326.506 2.706 20 10 EFCDMN COC[C@H]([NH2+][C@H](C)c1cc(Br)ccc1[O-])[C@@H]1CCCO1 ZINC000278701125 474782045 /nfs/dbraw/zinc/78/20/45/474782045.db2.gz HLTLPAXNWPOSQF-DGFSRKRXSA-N 0 1 344.249 2.999 20 10 EFCDMN COCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2[O-])C1 ZINC000273371167 474865282 /nfs/dbraw/zinc/86/52/82/474865282.db2.gz COAMEHXTKHVDCU-AAEUAGOBSA-N 0 1 343.265 2.526 20 10 EFCDMN C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000273452802 474905951 /nfs/dbraw/zinc/90/59/51/474905951.db2.gz GIXZVYPZNVCSNL-CLFVBBPSSA-N 0 1 334.279 2.962 20 10 EFCDMN C[C@H](CC[S@](C)=O)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000273473481 474917254 /nfs/dbraw/zinc/91/72/54/474917254.db2.gz KDTHKOJJMCVSSB-MHNGPXOMSA-N 0 1 334.279 2.962 20 10 EFCDMN CC[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1cc(Br)ccc1[O-] ZINC000278952496 474938091 /nfs/dbraw/zinc/93/80/91/474938091.db2.gz ZKXLHSYHPGNDFY-XEGUGMAKSA-N 0 1 344.249 2.735 20 10 EFCDMN COCCN1CC[C@H]([NH2+][C@@H](C)c2cc(Br)ccc2[O-])C1 ZINC000273562993 474965851 /nfs/dbraw/zinc/96/58/51/474965851.db2.gz IRCWITSKEFKLCT-AAEUAGOBSA-N 0 1 343.265 2.526 20 10 EFCDMN CC(=O)c1cc(F)cc(CN(C)[C@H](CC(N)=O)c2ccccc2)c1O ZINC000280329992 475019650 /nfs/dbraw/zinc/01/96/50/475019650.db2.gz HPHHCDXIDOAXGS-QGZVFWFLSA-N 0 1 344.386 2.782 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H](CC(N)=O)c2ccccc2)c1[O-] ZINC000280329992 475019656 /nfs/dbraw/zinc/01/96/56/475019656.db2.gz HPHHCDXIDOAXGS-QGZVFWFLSA-N 0 1 344.386 2.782 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@H+](C)[C@H](CC(N)=O)c2ccccc2)c1[O-] ZINC000280329992 475019664 /nfs/dbraw/zinc/01/96/64/475019664.db2.gz HPHHCDXIDOAXGS-QGZVFWFLSA-N 0 1 344.386 2.782 20 10 EFCDMN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCCc2cn[nH]c21 ZINC000268858717 475045512 /nfs/dbraw/zinc/04/55/12/475045512.db2.gz HJOPYRPQRZMEIO-QGZVFWFLSA-N 0 1 337.427 2.663 20 10 EFCDMN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCCc2cn[nH]c21 ZINC000268879500 475047327 /nfs/dbraw/zinc/04/73/27/475047327.db2.gz WHFLDARYVZOEFQ-QGZVFWFLSA-N 0 1 339.443 2.887 20 10 EFCDMN C[C@@H]([NH2+]CCCc1cnn(C)n1)c1ccc(Br)cc1[O-] ZINC000293777048 475051740 /nfs/dbraw/zinc/05/17/40/475051740.db2.gz SPEKTRRHVHIGIN-SNVBAGLBSA-N 0 1 339.237 2.567 20 10 EFCDMN Cc1cc(C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000293907996 475058315 /nfs/dbraw/zinc/05/83/15/475058315.db2.gz FTEKPKFVUGYBEB-GASCZTMLSA-N 0 1 326.444 2.654 20 10 EFCDMN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2Cc2cc3c(cc2O)OCO3)C1 ZINC000281133331 475084863 /nfs/dbraw/zinc/08/48/63/475084863.db2.gz DBQYJOROBFXCSU-OEAJRASXSA-N 0 1 333.428 2.882 20 10 EFCDMN COc1ccc(N2CCCN(CCOCC(F)(F)F)CC2)cc1 ZINC000363436831 476384525 /nfs/dbraw/zinc/38/45/25/476384525.db2.gz PXDQKHPKWJCIOF-UHFFFAOYSA-N 0 1 332.366 2.786 20 10 EFCDMN C[C@@H]1OCC[C@]12CN(Cc1c(O)ccc(Cl)c1F)C[C@@H](C)O2 ZINC000369290291 476404228 /nfs/dbraw/zinc/40/42/28/476404228.db2.gz KXKYFQKCLJPRSE-GDLVEWKHSA-N 0 1 329.799 2.953 20 10 EFCDMN O=C1CCC[C@@H]1[C@H]1COCCN1Cc1c(O)ccc(Cl)c1F ZINC000373822177 476431949 /nfs/dbraw/zinc/43/19/49/476431949.db2.gz YLMXMOBGRGLTID-ZWNOBZJWSA-N 0 1 327.783 2.755 20 10 EFCDMN COc1cc(Br)cc(C[N@H+]2CC[C@@](O)(C3CC3)C2)c1O ZINC000369675643 476473261 /nfs/dbraw/zinc/47/32/61/476473261.db2.gz HNZAWQLBCIEOCW-HNNXBMFYSA-N 0 1 342.233 2.510 20 10 EFCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626842 476483015 /nfs/dbraw/zinc/48/30/15/476483015.db2.gz NBKVJFCRMXMMHB-MRXNPFEDSA-N 0 1 337.895 2.646 20 10 EFCDMN COCC1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCOCC1 ZINC000365608687 476645321 /nfs/dbraw/zinc/64/53/21/476645321.db2.gz JROZXNLMKHDGAV-UHFFFAOYSA-N 0 1 348.226 2.758 20 10 EFCDMN CCC[C@H]1CNCCN1C(=O)NCc1c(C)c2ccccc2n1C ZINC000418105486 477465750 /nfs/dbraw/zinc/46/57/50/477465750.db2.gz ZSDHPDKEYDCYCD-HNNXBMFYSA-N 0 1 328.460 2.770 20 10 EFCDMN CCOc1cccc(CN2CCN(c3ccc(F)cn3)CC2)c1O ZINC000368045778 477781414 /nfs/dbraw/zinc/78/14/14/477781414.db2.gz WQBZMDGCTFQLSG-UHFFFAOYSA-N 0 1 331.391 2.647 20 10 EFCDMN C[C@@H]1CC(=O)NCCN1Cc1ccc(OCc2ccccc2)cc1O ZINC000368136414 477787605 /nfs/dbraw/zinc/78/76/05/477787605.db2.gz UWTCJVUHCFIFGT-OAHLLOKOSA-N 0 1 340.423 2.682 20 10 EFCDMN Cc1c2ccccc2n(C)c1CNC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000472231531 478013496 /nfs/dbraw/zinc/01/34/96/478013496.db2.gz HHVPXMNXBOAETE-MRXNPFEDSA-N 0 1 340.471 2.866 20 10 EFCDMN C[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(Cl)ccc1[O-] ZINC000186081954 500929166 /nfs/dbraw/zinc/92/91/66/500929166.db2.gz WCACEHRCBFYRKM-SMDDNHRTSA-N 0 1 348.834 2.625 20 10 EFCDMN CCN(CC)[C@H](CNC(=O)NCc1ccccc1O)c1ccco1 ZINC000263780628 535671609 /nfs/dbraw/zinc/67/16/09/535671609.db2.gz WEKTZIHEGNIQPW-OAHLLOKOSA-N 0 1 331.416 2.868 20 10 EFCDMN CCN1CCN(c2ccccc2NC(=O)Cc2ccc(N)cc2)CC1 ZINC000262662578 535753927 /nfs/dbraw/zinc/75/39/27/535753927.db2.gz ZEKNYQLQCNJMKU-UHFFFAOYSA-N 0 1 338.455 2.592 20 10 EFCDMN COC1CCN(c2ccc(CN3CCC[C@@](F)(CO)C3)cc2)CC1 ZINC000296030588 536756540 /nfs/dbraw/zinc/75/65/40/536756540.db2.gz RXUGQRPFBDVACC-IBGZPJMESA-N 0 1 336.451 2.598 20 10 EFCDMN COc1cc(O)c(CN2CC[C@@H](n3cc(Cl)cn3)C2)cc1OC ZINC000290929662 536856835 /nfs/dbraw/zinc/85/68/35/536856835.db2.gz OUUHQXOSTVEMQJ-CYBMUJFWSA-N 0 1 337.807 2.706 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CC[C@@H](C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000365799827 536861159 /nfs/dbraw/zinc/86/11/59/536861159.db2.gz XTRRORLICXNPJC-CYBMUJFWSA-N 0 1 336.388 2.558 20 10 EFCDMN CC(C)C[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1)CC(=O)[O-] ZINC000756309258 575714980 /nfs/dbraw/zinc/71/49/80/575714980.db2.gz UXWJFPLUAKLKJX-SFHVURJKSA-N 0 1 347.503 2.665 20 10 EFCDMN O=C([O-])[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccs1 ZINC000756336917 575719495 /nfs/dbraw/zinc/71/94/95/575719495.db2.gz DKPIBDQBOMPNCY-INIZCTEOSA-N 0 1 332.425 2.500 20 10 EFCDMN CC(C)[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])N1CCN(C)CC1 ZINC000756399521 575731101 /nfs/dbraw/zinc/73/11/01/575731101.db2.gz QLMSGUXUPJCGSC-GUYCJALGSA-N 0 1 341.446 2.593 20 10 EFCDMN C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756587044 575765699 /nfs/dbraw/zinc/76/56/99/575765699.db2.gz YJCLEEFSTYCNJA-OLZOCXBDSA-N 0 1 340.414 2.822 20 10 EFCDMN CCc1nncn1CC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000756619163 575768487 /nfs/dbraw/zinc/76/84/87/575768487.db2.gz GGEMHDVDSSZXCJ-JTQLQIEISA-N 0 1 339.237 2.659 20 10 EFCDMN C[C@H]([NH2+]CCNc1cnccn1)c1cc(Br)ccc1[O-] ZINC000756645654 575772239 /nfs/dbraw/zinc/77/22/39/575772239.db2.gz HVMSSWFPYASLDA-JTQLQIEISA-N 0 1 337.221 2.707 20 10 EFCDMN CCn1cnnc1CC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000756733564 575781906 /nfs/dbraw/zinc/78/19/06/575781906.db2.gz QBIRADOYCLQIMS-SNVBAGLBSA-N 0 1 339.237 2.659 20 10 EFCDMN CCn1cnnc1CC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000756733563 575782012 /nfs/dbraw/zinc/78/20/12/575782012.db2.gz QBIRADOYCLQIMS-JTQLQIEISA-N 0 1 339.237 2.659 20 10 EFCDMN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000756774619 575785821 /nfs/dbraw/zinc/78/58/21/575785821.db2.gz KNAKCKUTEJXFBF-XWIASGKRSA-N 0 1 341.249 2.720 20 10 EFCDMN C[C@H]([NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cc(Cl)ccc1[O-] ZINC000756837964 575790473 /nfs/dbraw/zinc/79/04/73/575790473.db2.gz KHVIEAGBDCBFPC-ZIBATOQPSA-N 0 1 348.834 2.624 20 10 EFCDMN O=S(=O)(Nc1ccc(O)cc1F)c1ccc(Br)o1 ZINC000758943486 575880840 /nfs/dbraw/zinc/88/08/40/575880840.db2.gz FIGYMDHBGFGXRG-UHFFFAOYSA-N 0 1 336.138 2.688 20 10 EFCDMN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CN(C)[C@@H]1CCSC1 ZINC000760886643 576085242 /nfs/dbraw/zinc/08/52/42/576085242.db2.gz CIGOCNJPQWYLIB-GOSISDBHSA-N 0 1 349.544 2.927 20 10 EFCDMN O=C(NCCc1ccc(O)c(O)c1)c1ccc(Nc2ccncc2)cc1 ZINC000762268029 576283226 /nfs/dbraw/zinc/28/32/26/576283226.db2.gz ZYSNDFORLURGEB-UHFFFAOYSA-N 0 1 349.390 2.631 20 10 EFCDMN CN(C)c1ccc(C[N@H+](CCC[N-]C(=O)C(F)(F)F)C2CC2)cc1 ZINC000763186153 576366070 /nfs/dbraw/zinc/36/60/70/576366070.db2.gz LWUJHGKLTKZNFB-UHFFFAOYSA-N 0 1 343.393 2.786 20 10 EFCDMN CN(C)c1ccc(C[N@@H+](CCC[N-]C(=O)C(F)(F)F)C2CC2)cc1 ZINC000763186153 576366071 /nfs/dbraw/zinc/36/60/71/576366071.db2.gz LWUJHGKLTKZNFB-UHFFFAOYSA-N 0 1 343.393 2.786 20 10 EFCDMN CO[C@]1(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])CCOC1 ZINC000763573229 576381569 /nfs/dbraw/zinc/38/15/69/576381569.db2.gz QVVBOQPRASDKKI-HZMBPMFUSA-N 0 1 330.222 2.611 20 10 EFCDMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1sccc1Br ZINC000764917052 576523392 /nfs/dbraw/zinc/52/33/92/576523392.db2.gz 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CC[C@H]([NH2+]CCN1CCC(O)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000825110133 1278413895 /nfs/dbraw/zinc/41/38/95/1278413895.db2.gz CHNGSLSRJOUBRP-HNNXBMFYSA-N 0 1 346.393 2.908 20 10 EFCDMN Cc1cc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)n[nH]1 ZINC000739021221 1268609890 /nfs/dbraw/zinc/60/98/90/1268609890.db2.gz SGLKIKZZPLQHKI-UHFFFAOYSA-N 0 1 340.383 2.929 20 10 EFCDMN CCc1cc(CNC(=O)N(CC)Cc2ccc(N(C)C)cc2)n[nH]1 ZINC000739027986 1268610496 /nfs/dbraw/zinc/61/04/96/1268610496.db2.gz ZALKHXHNVYFTHZ-UHFFFAOYSA-N 0 1 329.448 2.770 20 10 EFCDMN Cc1cc([O-])c(C[NH2+]CCS(=O)(=O)c2ccccc2)cc1Cl ZINC000825131553 1278423529 /nfs/dbraw/zinc/42/35/29/1278423529.db2.gz PPTJXQLUKHWSHW-UHFFFAOYSA-N 0 1 339.844 2.918 20 10 EFCDMN COC[C@H]1CC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000739869316 1268766682 /nfs/dbraw/zinc/76/66/82/1268766682.db2.gz HALWSHFVWUBCNC-AWEZNQCLSA-N 0 1 341.407 2.797 20 10 EFCDMN CC(C)CN1CC[C@@]2(CC[N@@H+](Cc3cc(F)c(F)cc3[O-])C2)C1=O ZINC001273379596 1269278121 /nfs/dbraw/zinc/27/81/21/1269278121.db2.gz XDMLXYUNXLQLMD-GOSISDBHSA-N 0 1 338.398 2.751 20 10 EFCDMN CC(C)(C)[S@@](=O)CC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825297905 1278496993 /nfs/dbraw/zinc/49/69/93/1278496993.db2.gz PNMUOQDDTZITOE-SFHVURJKSA-N 0 1 334.279 2.792 20 10 EFCDMN CC(C)(C)[S@](=O)CC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825297904 1278497734 /nfs/dbraw/zinc/49/77/34/1278497734.db2.gz PNMUOQDDTZITOE-GOSISDBHSA-N 0 1 334.279 2.792 20 10 EFCDMN C[C@@](O)(C[NH2+]Cc1ccc(Br)cc1[O-])c1ccco1 ZINC000825326529 1278507198 /nfs/dbraw/zinc/50/71/98/1278507198.db2.gz RGFGQZIZPUGGFO-CQSZACIVSA-N 0 1 326.190 2.745 20 10 EFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000825385107 1278529988 /nfs/dbraw/zinc/52/99/88/1278529988.db2.gz QTLDBNRDFJDHPA-AWEZNQCLSA-N 0 1 348.244 2.918 20 10 EFCDMN CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825422693 1278546610 /nfs/dbraw/zinc/54/66/10/1278546610.db2.gz QXKHQYGGNWIDHZ-NXEZZACHSA-N 0 1 329.238 2.548 20 10 EFCDMN COc1cc(CN(C)[C@@H](C)C[S@@](C)=O)c(O)c(C(C)(C)C)c1 ZINC000825504887 1278574513 /nfs/dbraw/zinc/57/45/13/1278574513.db2.gz LMNYSLYEEOLLDP-AMXDTQDGSA-N 0 1 327.490 2.897 20 10 EFCDMN O=C(NCc1c(O)ccc2c1CCCC2)c1[nH]nc2c1CCCC2 ZINC000743718411 1270719869 /nfs/dbraw/zinc/71/98/69/1270719869.db2.gz OIFHJNAWPZUSGE-UHFFFAOYSA-N 0 1 325.412 2.803 20 10 EFCDMN O=C(N1CCCC1)N1CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792156633 1278591961 /nfs/dbraw/zinc/59/19/61/1278591961.db2.gz HZXPOUWWSYZGIF-UHFFFAOYSA-N 0 1 341.814 2.518 20 10 EFCDMN CCOC(=O)[C@@H]1CSCCN1Cc1c(O)ccc(Cl)c1F ZINC000792157425 1278592899 /nfs/dbraw/zinc/59/28/99/1278592899.db2.gz WPTRVVDTHJJULS-NSHDSACASA-N 0 1 333.812 2.665 20 10 EFCDMN CCN(CC)C(=O)N1CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792162623 1278595966 /nfs/dbraw/zinc/59/59/66/1278595966.db2.gz PDOBJAOIRVHAAU-UHFFFAOYSA-N 0 1 343.830 2.764 20 10 EFCDMN O=S1(=O)CCN(Cc2c(O)ccc(Cl)c2F)[C@@H]2CCCC[C@H]21 ZINC000792164747 1278603189 /nfs/dbraw/zinc/60/31/89/1278603189.db2.gz DKINKIQULGPXIS-TZMCWYRMSA-N 0 1 347.839 2.726 20 10 EFCDMN CCOC(=O)[C@H](NCc1c(O)ccc(Cl)c1F)[C@@H]1CCCOC1 ZINC000792177881 1278616723 /nfs/dbraw/zinc/61/67/23/1278616723.db2.gz ALYLRIIBXCZECM-MEBBXXQBSA-N 0 1 345.798 2.633 20 10 EFCDMN O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC001168987315 1272588338 /nfs/dbraw/zinc/58/83/38/1272588338.db2.gz IBGUCJXGZCZYLG-JOYOIKCWSA-N 0 1 329.194 2.690 20 10 EFCDMN CC[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cc(Br)ccc1[O-] ZINC000704304776 1273299878 /nfs/dbraw/zinc/29/98/78/1273299878.db2.gz LUETYFYVSIGWAV-CHWSQXEVSA-N 0 1 341.249 2.816 20 10 EFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCc2cncn2C1 ZINC000844145444 1278773303 /nfs/dbraw/zinc/77/33/03/1278773303.db2.gz ZJNJIEJETJXKFM-SECBINFHSA-N 0 1 340.210 2.774 20 10 EFCDMN C[C@H](C[NH2+]Cc1c(O)cccc1Br)C[NH+]1CCCC1 ZINC000706874961 1275065541 /nfs/dbraw/zinc/06/55/41/1275065541.db2.gz DANAYIRZJVPUBD-GFCCVEGCSA-N 0 1 327.266 2.976 20 10 EFCDMN COc1ccc(N(C)CCN(C)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000844399870 1278948421 /nfs/dbraw/zinc/94/84/21/1278948421.db2.gz RDFQXKABMHDSLT-HNNXBMFYSA-N 0 1 333.476 2.511 20 10 EFCDMN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN2C2CC2)cc1F ZINC000787343061 1275762388 /nfs/dbraw/zinc/76/23/88/1275762388.db2.gz YAIMKBRBFXYRNS-GOSISDBHSA-N 0 1 333.451 2.915 20 10 EFCDMN O=C(CNc1ccc([C@@H]2CCC[NH2+]C2)cc1)c1ccc([O-])c(O)c1 ZINC001170320970 1279015079 /nfs/dbraw/zinc/01/50/79/1279015079.db2.gz SIDAJQQOLAOHBY-OAHLLOKOSA-N 0 1 326.396 2.860 20 10 EFCDMN C[C@@H]1C[C@H](C)N(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C[NH3+] ZINC000817865657 1276351038 /nfs/dbraw/zinc/35/10/38/1276351038.db2.gz MJLBMFMXVVHJKV-SCVCMEIPSA-N 0 1 327.812 2.759 20 10 EFCDMN CC(C)n1cncc1CNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000818180593 1276480881 /nfs/dbraw/zinc/48/08/81/1276480881.db2.gz BUVVNPKNHRHXKC-UHFFFAOYSA-N 0 1 346.450 2.854 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3C)cc2F)CC1 ZINC000074134329 1276608179 /nfs/dbraw/zinc/60/81/79/1276608179.db2.gz YIOGAIDZODZNIC-HNNXBMFYSA-N 0 1 348.466 2.662 20 10 EFCDMN C[C@@H]1CN(CC[N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])C[C@H](C)O1 ZINC000789764953 1276973175 /nfs/dbraw/zinc/97/31/75/1276973175.db2.gz LTZRPHMAHSEIAW-TXEJJXNPSA-N 0 1 330.831 2.726 20 10 EFCDMN Cc1cc(C)n(-c2ccc(NC(=O)c3c(F)ccc(O)c3O)cn2)n1 ZINC000789952480 1277113075 /nfs/dbraw/zinc/11/30/75/1277113075.db2.gz FLPVUTLYMRZCTH-UHFFFAOYSA-N 0 1 342.330 2.687 20 10 EFCDMN C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000789966541 1277127497 /nfs/dbraw/zinc/12/74/97/1277127497.db2.gz HURMAXNLONVWCV-RYUDHWBXSA-N 0 1 338.423 2.723 20 10 EFCDMN Cc1nc(-c2ccc(NC(=O)c3c(F)ccc(O)c3O)cc2)n[nH]1 ZINC000789965071 1277128035 /nfs/dbraw/zinc/12/80/35/1277128035.db2.gz CWZMOFXSVQTNLZ-UHFFFAOYSA-N 0 1 328.303 2.583 20 10 EFCDMN CCc1[nH]nc(C(=O)N(C)Cc2ccccc2O)c1Br ZINC000789982085 1277145508 /nfs/dbraw/zinc/14/55/08/1277145508.db2.gz GOSXSCWURFRWKD-UHFFFAOYSA-N 0 1 338.205 2.712 20 10 EFCDMN O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1c(F)ccc(O)c1O ZINC000789984203 1277147923 /nfs/dbraw/zinc/14/79/23/1277147923.db2.gz NOIPBLLEKZYNOH-LBPRGKRZSA-N 0 1 333.315 2.657 20 10 EFCDMN Cc1cc(C(=O)N2CCc3[nH]nnc3C2)c(C)n1-c1ccccc1C ZINC000747990388 1287269039 /nfs/dbraw/zinc/26/90/39/1287269039.db2.gz XRIWGTZNOGUVKK-UHFFFAOYSA-N 0 1 335.411 2.719 20 10 EFCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(OC)c(F)c1 ZINC000790411725 1277522584 /nfs/dbraw/zinc/52/25/84/1277522584.db2.gz OTKGOFOYZWHTIA-UHFFFAOYSA-N 0 1 341.360 2.739 20 10 EFCDMN CCc1cc(O)ccc1NS(=O)(=O)c1cnc(Cl)c(OC)c1 ZINC000790417098 1277527561 /nfs/dbraw/zinc/52/75/61/1277527561.db2.gz HJIBXBXGCUIZQL-UHFFFAOYSA-N 0 1 342.804 2.812 20 10 EFCDMN C[C@@H]1OCC[C@@]12C[N@H+](Cc1c([O-])ccc3ccncc31)C[C@@H](C)O2 ZINC000790399758 1277539163 /nfs/dbraw/zinc/53/91/63/1277539163.db2.gz HOCYTHDRWHJVHF-BIENJYKASA-N 0 1 328.412 2.709 20 10 EFCDMN C[C@@H]1OCC[C@@]12C[N@@H+](Cc1c([O-])ccc3ccncc31)C[C@@H](C)O2 ZINC000790399758 1277539172 /nfs/dbraw/zinc/53/91/72/1277539172.db2.gz HOCYTHDRWHJVHF-BIENJYKASA-N 0 1 328.412 2.709 20 10 EFCDMN Cc1cc(CN(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)ccc1N(C)C ZINC000815071022 1287295253 /nfs/dbraw/zinc/29/52/53/1287295253.db2.gz CMSQRAGMBSYBOL-ROUUACIJSA-N 0 1 338.517 2.849 20 10 EFCDMN C[C@@H](NCc1cnn(C)c1Cl)c1ccc(N2CCOCC2)cc1 ZINC000815119154 1287314061 /nfs/dbraw/zinc/31/40/61/1287314061.db2.gz QKHBDSTYSLOPTN-CYBMUJFWSA-N 0 1 334.851 2.761 20 10 EFCDMN COc1ccc(N2CCN(CCCNc3nccs3)CC2)cc1 ZINC000746989959 1278013935 /nfs/dbraw/zinc/01/39/35/1278013935.db2.gz BPWIBIJJNDRZIV-UHFFFAOYSA-N 0 1 332.473 2.776 20 10 EFCDMN CCN(C)c1ccc(CN2CCN(c3nccnc3C)CC2)cc1 ZINC000815107091 1287328657 /nfs/dbraw/zinc/32/86/57/1287328657.db2.gz FWVZKRAEPHIRQP-UHFFFAOYSA-N 0 1 325.460 2.563 20 10 EFCDMN CN(C)c1ccc(CN(C)CCN2CCCC2=O)c(C(F)(F)F)c1 ZINC000792819708 1279183420 /nfs/dbraw/zinc/18/34/20/1279183420.db2.gz IXKIWPJKWLRRKX-UHFFFAOYSA-N 0 1 343.393 2.826 20 10 EFCDMN CN(C)c1ccc(CN2CCC(OCCO)CC2)c(C(F)(F)F)c1 ZINC000792833415 1279192929 /nfs/dbraw/zinc/19/29/29/1279192929.db2.gz BFIMHDCNVQFGKR-UHFFFAOYSA-N 0 1 346.393 2.745 20 10 EFCDMN CCN(CC)c1ccc(CN(C)C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000792863061 1279199416 /nfs/dbraw/zinc/19/94/16/1279199416.db2.gz RFSMAFRDTVWSDI-QGZVFWFLSA-N 0 1 338.517 2.789 20 10 EFCDMN COC(=O)[C@@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)C[C@H]1C1CC1 ZINC000844761689 1279229488 /nfs/dbraw/zinc/22/94/88/1279229488.db2.gz ODPKFJPNMJCCGX-DOTOQJQBSA-N 0 1 326.396 2.571 20 10 EFCDMN COC(=O)[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)C[C@H]1C1CC1 ZINC000844761689 1279229494 /nfs/dbraw/zinc/22/94/94/1279229494.db2.gz ODPKFJPNMJCCGX-DOTOQJQBSA-N 0 1 326.396 2.571 20 10 EFCDMN COC(=O)[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)C[C@H]1C1CC1 ZINC000844761689 1279229502 /nfs/dbraw/zinc/22/95/02/1279229502.db2.gz ODPKFJPNMJCCGX-DOTOQJQBSA-N 0 1 326.396 2.571 20 10 EFCDMN C[C@@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]1CC[NH3+] ZINC000844902608 1279325737 /nfs/dbraw/zinc/32/57/37/1279325737.db2.gz SYGCDSXRFLBGAP-MFKMUULPSA-N 0 1 327.812 2.903 20 10 EFCDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001144294187 1279377549 /nfs/dbraw/zinc/37/75/49/1279377549.db2.gz ZEXBOUNWPSSFSX-OTYXRUKQSA-N 0 1 330.197 2.905 20 10 EFCDMN C[C@H]1CCC[N@@H+](Cc2cc(Br)c(F)cc2[O-])[C@H]1CO ZINC001144298326 1279385448 /nfs/dbraw/zinc/38/54/48/1279385448.db2.gz BKDZWMAUOHULIF-ZANVPECISA-N 0 1 332.213 2.887 20 10 EFCDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001144299130 1279385892 /nfs/dbraw/zinc/38/58/92/1279385892.db2.gz QBXWBNMXNFMNCP-PWSUYJOCSA-N 0 1 336.176 2.589 20 10 EFCDMN C[C@@H]1CC[C@@H](CO)C[N@H+]1Cc1cc(Br)c(F)cc1[O-] ZINC001144299144 1279387621 /nfs/dbraw/zinc/38/76/21/1279387621.db2.gz QKMCUOCROFXNPV-NXEZZACHSA-N 0 1 332.213 2.887 20 10 EFCDMN Cc1n[nH]c(CCNC(=O)c2cc(C)ccc2-n2c(C)ccc2C)n1 ZINC000747146053 1279881314 /nfs/dbraw/zinc/88/13/14/1279881314.db2.gz WWRMAUKCBLRZPO-UHFFFAOYSA-N 0 1 337.427 2.802 20 10 EFCDMN C[C@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)Cc2ccccc2O1 ZINC000793779080 1279891895 /nfs/dbraw/zinc/89/18/95/1279891895.db2.gz GQOHIYDPKGSJKD-YVEFUNNKSA-N 0 1 327.380 2.601 20 10 EFCDMN C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)Cc2ccccc2O1 ZINC000793779078 1279892273 /nfs/dbraw/zinc/89/22/73/1279892273.db2.gz GQOHIYDPKGSJKD-SJKOYZFVSA-N 0 1 327.380 2.601 20 10 EFCDMN CCN(CC)c1ccc(CNCc2cc(=O)n3ccccc3n2)cc1 ZINC000846109815 1280019953 /nfs/dbraw/zinc/01/99/53/1280019953.db2.gz WGZUSVIGDLQJEW-UHFFFAOYSA-N 0 1 336.439 2.831 20 10 EFCDMN COC(=O)[C@H](NCc1cccc(Cl)c1O)[C@@H]1CCC[C@H](OC)C1 ZINC000846108578 1280020498 /nfs/dbraw/zinc/02/04/98/1280020498.db2.gz OZMXBZBACQDUNM-OSAQELSMSA-N 0 1 341.835 2.882 20 10 EFCDMN CCC1CCC([N@@H+](C)Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)CC1 ZINC000846240155 1280081798 /nfs/dbraw/zinc/08/17/98/1280081798.db2.gz XGXXZEYXEATVBN-UHFFFAOYSA-N 0 1 332.404 2.534 20 10 EFCDMN C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1cnn(C)c1 ZINC000805149176 1280460098 /nfs/dbraw/zinc/46/00/98/1280460098.db2.gz YEYGUNBQJCAQGK-MRVPVSSYSA-N 0 1 343.214 2.993 20 10 EFCDMN C[N@@H+](CCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-])C1CC1 ZINC000805184463 1280473481 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CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)nc1C ZINC000808107785 1281538555 /nfs/dbraw/zinc/53/85/55/1281538555.db2.gz LINPDTYGSSOHPU-UHFFFAOYSA-N 0 1 340.788 2.752 20 10 EFCDMN COc1cc(C)c(NS(=O)(=O)c2cccc3nonc32)c(C)c1C ZINC000808116475 1281541818 /nfs/dbraw/zinc/54/18/18/1281541818.db2.gz WELGHKCKJNBJLU-UHFFFAOYSA-N 0 1 347.396 2.957 20 10 EFCDMN COc1ccc(N2CCCN(CN3C(=O)CCC3(C)C)CC2)cc1 ZINC000808142179 1281557143 /nfs/dbraw/zinc/55/71/43/1281557143.db2.gz LASABXJXLWWARV-UHFFFAOYSA-N 0 1 331.460 2.566 20 10 EFCDMN CC(=O)NCC[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000808218517 1281594263 /nfs/dbraw/zinc/59/42/63/1281594263.db2.gz SSUUVOVFADSIMF-OAHLLOKOSA-N 0 1 327.428 2.679 20 10 EFCDMN CC(=O)NCC[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000808218517 1281594269 /nfs/dbraw/zinc/59/42/69/1281594269.db2.gz SSUUVOVFADSIMF-OAHLLOKOSA-N 0 1 327.428 2.679 20 10 EFCDMN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000808479505 1281730979 /nfs/dbraw/zinc/73/09/79/1281730979.db2.gz GTKFYAJICLBLPC-UHFFFAOYSA-N 0 1 344.154 2.876 20 10 EFCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2CCS(=O)(=O)CC2)c1[O-] ZINC000808708424 1281868019 /nfs/dbraw/zinc/86/80/19/1281868019.db2.gz MBLUUFARURMHBN-NSHDSACASA-N 0 1 331.865 2.829 20 10 EFCDMN Cc1cc(NS(=O)(=O)c2c3c(nn2C)CCCC3)c(C)c(C)c1O ZINC000872363859 1287552787 /nfs/dbraw/zinc/55/27/87/1287552787.db2.gz UIAFXLAHHBMGGK-UHFFFAOYSA-N 0 1 349.456 2.731 20 10 EFCDMN C[C@@H](NCc1cnc([C@H](C)O)s1)c1ccc(N2CCOCC2)cc1 ZINC000809611269 1282316721 /nfs/dbraw/zinc/31/67/21/1282316721.db2.gz XUZMNKZDXCZMID-KGLIPLIRSA-N 0 1 347.484 2.884 20 10 EFCDMN COCCN(Cc1ccc(N2CCOCC2)cc1)Cc1ccccn1 ZINC000809735008 1282414094 /nfs/dbraw/zinc/41/40/94/1282414094.db2.gz VKDYKKPBSRMESU-UHFFFAOYSA-N 0 1 341.455 2.567 20 10 EFCDMN CC[C@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@H](C)S1(=O)=O ZINC000809725150 1282428463 /nfs/dbraw/zinc/42/84/63/1282428463.db2.gz JYFKJQQSQUFDBB-UWVGGRQHSA-N 0 1 335.828 2.582 20 10 EFCDMN C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000809765541 1282464780 /nfs/dbraw/zinc/46/47/80/1282464780.db2.gz ODABAKIHHFSSTI-BXUZGUMPSA-N 0 1 327.266 2.927 20 10 EFCDMN C[C@@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])N1CCN(C)CC1 ZINC000815576827 1287608716 /nfs/dbraw/zinc/60/87/16/1287608716.db2.gz ZFYXPPBRBPMGHO-STQMWFEESA-N 0 1 345.409 2.698 20 10 EFCDMN CC[C@@H]([NH2+]C1CN(C(=O)OC)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228009 1283056493 /nfs/dbraw/zinc/05/64/93/1283056493.db2.gz PCKOFLGNOMWHOR-GFCCVEGCSA-N 0 1 332.322 2.902 20 10 EFCDMN CCN(CC)C(=O)C[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000715758215 1284324516 /nfs/dbraw/zinc/32/45/16/1284324516.db2.gz JFLFSVRCMMNWDJ-UHFFFAOYSA-N 0 1 347.228 2.594 20 10 EFCDMN CCOCc1nc([C@@H](C)NCc2cc(Cl)cc(F)c2O)no1 ZINC000811516606 1284366311 /nfs/dbraw/zinc/36/63/11/1284366311.db2.gz XPEKJEYWKZUHLQ-MRVPVSSYSA-N 0 1 329.759 2.955 20 10 EFCDMN CN(C)CC(C)(C)C[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715814145 1284368959 /nfs/dbraw/zinc/36/89/59/1284368959.db2.gz PNBJXLRWJDKLLR-UHFFFAOYSA-N 0 1 333.245 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1288222378 /nfs/dbraw/zinc/22/23/78/1288222378.db2.gz CLPGXQVWHRUKOF-UHFFFAOYSA-N 0 1 333.453 2.992 20 10 EFCDMN O=C1NCCCN(Cc2cc(Cl)ccc2O)[C@@H]1Cc1ccccc1 ZINC000816642388 1288227505 /nfs/dbraw/zinc/22/75/05/1288227505.db2.gz YDJDMOMAROURFW-QGZVFWFLSA-N 0 1 344.842 2.979 20 10 EFCDMN COc1cc(Cl)cc(CN2CCC(OC(=O)N(C)C)CC2)c1O ZINC000816654325 1288229613 /nfs/dbraw/zinc/22/96/13/1288229613.db2.gz CMJJHCZMDWQVDW-UHFFFAOYSA-N 0 1 342.823 2.717 20 10 EFCDMN COC(=O)c1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c[nH]1 ZINC000816681907 1288244680 /nfs/dbraw/zinc/24/46/80/1288244680.db2.gz JXKJBUQAGQTIPL-UHFFFAOYSA-N 0 1 343.166 2.744 20 10 EFCDMN CCOC(=O)c1c(C)[nH]nc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000851950144 1299480502 /nfs/dbraw/zinc/48/05/02/1299480502.db2.gz MLMAQEXCJLCPFR-GFCCVEGCSA-N 0 1 330.432 2.812 20 10 EFCDMN CN1CCN(c2ccc(CNc3cccc(-n4ccnn4)c3)cc2)CC1 ZINC000817405561 1288586669 /nfs/dbraw/zinc/58/66/69/1288586669.db2.gz GZJZYRMNCHLDGE-UHFFFAOYSA-N 0 1 348.454 2.631 20 10 EFCDMN CCOc1ncccc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000817409078 1288589804 /nfs/dbraw/zinc/58/98/04/1288589804.db2.gz YMNYJXXTMKUICB-UHFFFAOYSA-N 0 1 326.444 2.844 20 10 EFCDMN COC1([C@@H](C)[NH2+]Cc2cc(Br)ccc2[O-])CCOCC1 ZINC000817420531 1288594659 /nfs/dbraw/zinc/59/46/59/1288594659.db2.gz UVLGKILWHDKAAW-LLVKDONJSA-N 0 1 344.249 2.828 20 10 EFCDMN CON1CCC([NH2+][C@@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000817589577 1288666289 /nfs/dbraw/zinc/66/62/89/1288666289.db2.gz ZBVLBSHDYDBSOI-JTQLQIEISA-N 0 1 329.238 2.831 20 10 EFCDMN COc1ccc(N2CC[C@@H](CNC(=O)c3cccc(F)c3O)C2)cc1 ZINC000823201811 1289241307 /nfs/dbraw/zinc/24/13/07/1289241307.db2.gz KSUQPNARLUFTHA-ZDUSSCGKSA-N 0 1 344.386 2.796 20 10 EFCDMN COc1ccc(N2CC[C@H](CNC(=O)c3cccc(F)c3O)C2)cc1 ZINC000823201810 1289241373 /nfs/dbraw/zinc/24/13/73/1289241373.db2.gz KSUQPNARLUFTHA-CYBMUJFWSA-N 0 1 344.386 2.796 20 10 EFCDMN COC(=O)c1c(CN2CC[C@@H]3CCO[C@H]3C2)c2ccccc2n1C ZINC001232401912 1312694378 /nfs/dbraw/zinc/69/43/78/1312694378.db2.gz GTXOTUBWNKUAEK-DYVFJYSZSA-N 0 1 328.412 2.576 20 10 EFCDMN CCCO[C@@H]1CCN(Cc2c3ccccc3n(C)c2C(=O)OC)C1 ZINC001232405126 1312694671 /nfs/dbraw/zinc/69/46/71/1312694671.db2.gz FYPKXGJOTRBTPL-CQSZACIVSA-N 0 1 330.428 2.966 20 10 EFCDMN CCCO[C@H]1CCN(Cc2c3ccccc3n(C)c2C(=O)OC)C1 ZINC001232405125 1312694743 /nfs/dbraw/zinc/69/47/43/1312694743.db2.gz FYPKXGJOTRBTPL-AWEZNQCLSA-N 0 1 330.428 2.966 20 10 EFCDMN CCN(CC(=O)NC)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823399508 1289292422 /nfs/dbraw/zinc/29/24/22/1289292422.db2.gz HKSOHUSNVJFDPZ-UHFFFAOYSA-N 0 1 331.485 2.952 20 10 EFCDMN CN(C)c1ccc(/C=C/C(=O)N2CCCc3ccc(CN)nc32)cc1 ZINC001180129903 1289412169 /nfs/dbraw/zinc/41/21/69/1289412169.db2.gz MEDAWRATEWMSNM-KPKJPENVSA-N 0 1 336.439 2.599 20 10 EFCDMN COc1ccc(N(C)CCN(C)C(=O)c2cccc(F)c2O)cc1 ZINC000823948873 1289497124 /nfs/dbraw/zinc/49/71/24/1289497124.db2.gz QCQVVRVGAPLTFS-UHFFFAOYSA-N 0 1 332.375 2.748 20 10 EFCDMN COc1ccc(CN[C@@H](C)c2cn(C)nc2C)cc1Cn1cccn1 ZINC000873043615 1289537278 /nfs/dbraw/zinc/53/72/78/1289537278.db2.gz PCUXOPASXNHQQR-AWEZNQCLSA-N 0 1 339.443 2.833 20 10 EFCDMN COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Br)cc2O)[C@@H]1C ZINC000825659392 1289598103 /nfs/dbraw/zinc/59/81/03/1289598103.db2.gz XCCRJGMQCFPISH-SKDRFNHKSA-N 0 1 328.206 2.538 20 10 EFCDMN COC(=O)[C@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])[C@@H]1C ZINC000825659392 1289598115 /nfs/dbraw/zinc/59/81/15/1289598115.db2.gz XCCRJGMQCFPISH-SKDRFNHKSA-N 0 1 328.206 2.538 20 10 EFCDMN COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])[C@@H]1C ZINC000825659392 1289598122 /nfs/dbraw/zinc/59/81/22/1289598122.db2.gz XCCRJGMQCFPISH-SKDRFNHKSA-N 0 1 328.206 2.538 20 10 EFCDMN Oc1ccc(C[N@H+]2CC[C@@H](n3cc(Br)cn3)C2)c(O)c1 ZINC001204280743 1289622079 /nfs/dbraw/zinc/62/20/79/1289622079.db2.gz DHXSPSSIVOAOPT-GFCCVEGCSA-N 0 1 338.205 2.504 20 10 EFCDMN Oc1ccc(CN2CC[C@@H](n3cc(Br)cn3)C2)c(O)c1 ZINC001204280743 1289622089 /nfs/dbraw/zinc/62/20/89/1289622089.db2.gz DHXSPSSIVOAOPT-GFCCVEGCSA-N 0 1 338.205 2.504 20 10 EFCDMN C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[N@H+](C2CC2)C1 ZINC000824446003 1289653863 /nfs/dbraw/zinc/65/38/63/1289653863.db2.gz QHXUGHXRVLUZCV-LLVKDONJSA-N 0 1 339.823 2.870 20 10 EFCDMN C[C@H]1CN(C2CC2)CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000824446003 1289653874 /nfs/dbraw/zinc/65/38/74/1289653874.db2.gz QHXUGHXRVLUZCV-LLVKDONJSA-N 0 1 339.823 2.870 20 10 EFCDMN C[C@H]1CN(C2CC2)CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000824446003 1289653881 /nfs/dbraw/zinc/65/38/81/1289653881.db2.gz QHXUGHXRVLUZCV-LLVKDONJSA-N 0 1 339.823 2.870 20 10 EFCDMN CCCN(Cc1cc(Cl)c(C)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000824521403 1289682227 /nfs/dbraw/zinc/68/22/27/1289682227.db2.gz FGQBBXXWHWRODW-ZDUSSCGKSA-N 0 1 331.865 2.753 20 10 EFCDMN COc1ccc(N2CCCN(Cc3cnc4n3CCC4)CC2)cc1 ZINC000824606391 1289723312 /nfs/dbraw/zinc/72/33/12/1289723312.db2.gz RLMXUAPHFGMBAP-UHFFFAOYSA-N 0 1 326.444 2.550 20 10 EFCDMN COc1cc(CN2CC[C@@H](CC(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204349904 1290229082 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COc1cccc([C@H](N)C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000876728200 1290992556 /nfs/dbraw/zinc/99/25/56/1290992556.db2.gz IDJYICSAIDGBDX-IBGZPJMESA-N 0 1 339.439 2.612 20 10 EFCDMN Cc1ccc(CNc2cccc(CN3CCC[C@@H]3C(N)=O)c2)c(O)c1 ZINC000876844814 1291045486 /nfs/dbraw/zinc/04/54/86/1291045486.db2.gz JGKFCAWOHWSSIR-GOSISDBHSA-N 0 1 339.439 2.762 20 10 EFCDMN COc1ncc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000876987157 1291099359 /nfs/dbraw/zinc/09/93/59/1291099359.db2.gz QOLWFZAUGROGLX-CYBMUJFWSA-N 0 1 333.457 2.839 20 10 EFCDMN CCN1CCN(c2ccc(CNCc3ncc(C)o3)cc2F)CC1 ZINC000877011624 1291106882 /nfs/dbraw/zinc/10/68/82/1291106882.db2.gz FLINWDHYJAAPDI-UHFFFAOYSA-N 0 1 332.423 2.554 20 10 EFCDMN C[C@@H]1CN(Cc2c([O-])cc(Br)cc2F)C[C@H](C)[N@@H+]1C ZINC001233032137 1312837492 /nfs/dbraw/zinc/83/74/92/1312837492.db2.gz VCJQAYFWMCIGOV-AOOOYVTPSA-N 0 1 331.229 2.818 20 10 EFCDMN C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093384693 1291131998 /nfs/dbraw/zinc/13/19/98/1291131998.db2.gz FZRFDDIUKGIXPN-MRVPVSSYSA-N 0 1 326.245 2.564 20 10 EFCDMN C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093384693 1291132000 /nfs/dbraw/zinc/13/20/00/1291132000.db2.gz FZRFDDIUKGIXPN-MRVPVSSYSA-N 0 1 326.245 2.564 20 10 EFCDMN CCOC(=O)CC[C@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC001258480574 1291139753 /nfs/dbraw/zinc/13/97/53/1291139753.db2.gz CYEKBGQWWQVWQJ-JTQLQIEISA-N 0 1 330.222 2.976 20 10 EFCDMN Oc1cc(Br)cc(F)c1CN1CCOCC(F)(F)C1 ZINC001233027176 1312835295 /nfs/dbraw/zinc/83/52/95/1312835295.db2.gz LZFMEFDNTBCUKB-UHFFFAOYSA-N 0 1 340.139 2.761 20 10 EFCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])cc(Br)cc2F)C[C@]1(C)O ZINC001233027173 1312835506 /nfs/dbraw/zinc/83/55/06/1312835506.db2.gz LWZTUHFMSOOHIS-OTYXRUKQSA-N 0 1 332.213 2.887 20 10 EFCDMN [O-]c1cc(Br)cc(F)c1C[N@H+]1CCCC2(COC2)C1 ZINC001233028680 1312835742 /nfs/dbraw/zinc/83/57/42/1312835742.db2.gz SPVBXKNTYNNSCU-UHFFFAOYSA-N 0 1 330.197 2.906 20 10 EFCDMN C[C@@H]1CO[C@@H]2C[N@@H+](Cc3c([O-])cc(Br)cc3F)C[C@H]12 ZINC001233030453 1312835778 /nfs/dbraw/zinc/83/57/78/1312835778.db2.gz UILKLOUDEKMOPU-PJCOJXEDSA-N 0 1 330.197 2.761 20 10 EFCDMN O=C1CCN(Cc2c(O)cc(Br)cc2F)CC1(F)F ZINC001233031641 1312837571 /nfs/dbraw/zinc/83/75/71/1312837571.db2.gz JSMSPOJYDMAVRD-UHFFFAOYSA-N 0 1 338.123 2.704 20 10 EFCDMN CC[N@@H+](CCC(=O)OC)Cc1c([O-])cc(Br)cc1F ZINC001233030519 1312836057 /nfs/dbraw/zinc/83/60/57/1312836057.db2.gz WLINONGQHZJRBQ-UHFFFAOYSA-N 0 1 334.185 2.679 20 10 EFCDMN [O-]c1cc(Br)cc(F)c1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC001233031000 1312836150 /nfs/dbraw/zinc/83/61/50/1312836150.db2.gz VNCIAGZQXUKQBB-LLVKDONJSA-N 0 1 329.213 2.574 20 10 EFCDMN Cc1nc(CC[N@H+](C)Cc2c([O-])cc(Br)cc2F)no1 ZINC001233028343 1312836338 /nfs/dbraw/zinc/83/63/38/1312836338.db2.gz NUJKHLNTLZVDDV-UHFFFAOYSA-N 0 1 344.184 2.660 20 10 EFCDMN [O-]c1cc(Br)cc(F)c1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001233029164 1312836357 /nfs/dbraw/zinc/83/63/57/1312836357.db2.gz AODZZPWPDOYYFU-LKFCYVNXSA-N 0 1 330.197 2.905 20 10 EFCDMN C[N@H+]1C[C@H]2CCCN(Cc3c([O-])cc(Br)cc3F)[C@H]2C1 ZINC001233031253 1312836383 /nfs/dbraw/zinc/83/63/83/1312836383.db2.gz AEFXBRSPCYOKQK-YGRLFVJLSA-N 0 1 343.240 2.820 20 10 EFCDMN C[N@H+]1CCC[C@H]2CN(Cc3c([O-])cc(Br)cc3F)C[C@H]21 ZINC001233029847 1312836595 /nfs/dbraw/zinc/83/65/95/1312836595.db2.gz KDTHHTVHHMLDKT-IINYFYTJSA-N 0 1 343.240 2.820 20 10 EFCDMN CC[N@@H+]1C[C@H]2CN(Cc3c([O-])cc(Br)cc3F)C[C@H]2C1 ZINC001233033455 1312837149 /nfs/dbraw/zinc/83/71/49/1312837149.db2.gz ONXXGCLGCKDRMA-PHIMTYICSA-N 0 1 343.240 2.677 20 10 EFCDMN COc1cc(Br)cc(C[N@H+](C)C[C@@H]2CCOC2)c1[O-] ZINC000093839712 1291225842 /nfs/dbraw/zinc/22/58/42/1291225842.db2.gz PJZUJHRUHWESBQ-JTQLQIEISA-N 0 1 330.222 2.632 20 10 EFCDMN COc1cc(Br)cc(C[N@@H+](C)C[C@@H]2CCOC2)c1[O-] ZINC000093839712 1291225847 /nfs/dbraw/zinc/22/58/47/1291225847.db2.gz PJZUJHRUHWESBQ-JTQLQIEISA-N 0 1 330.222 2.632 20 10 EFCDMN COc1cc(Br)cc(C[N@H+](C)C[C@H]2CCOC2)c1[O-] ZINC000093839713 1291225975 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COc1cc([O-])c(C[N@@H+]2CCC[C@@H](O)CC2)cc1Br ZINC001233135305 1312863188 /nfs/dbraw/zinc/86/31/88/1312863188.db2.gz PRHVSHJVZIBWNX-LLVKDONJSA-N 0 1 330.222 2.510 20 10 EFCDMN COc1cc([O-])c(C[N@H+]2CCC[C@@H](O)CC2)cc1Br ZINC001233135305 1312863192 /nfs/dbraw/zinc/86/31/92/1312863192.db2.gz PRHVSHJVZIBWNX-LLVKDONJSA-N 0 1 330.222 2.510 20 10 EFCDMN COc1cc(O)c(CN2CCOC[C@H](C)C2)cc1Br ZINC001233135235 1312863486 /nfs/dbraw/zinc/86/34/86/1312863486.db2.gz PEEOHWKBMHYSPN-SNVBAGLBSA-N 0 1 330.222 2.632 20 10 EFCDMN COc1cc(O)c(C[N@H+]2CCC[C@@H](O)[C@@H](C)C2)cc1Br ZINC001233135415 1312863647 /nfs/dbraw/zinc/86/36/47/1312863647.db2.gz SLDQMYNOEDGFAP-GXFFZTMASA-N 0 1 344.249 2.756 20 10 EFCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](O)[C@@H](C)C2)cc1Br ZINC001233135415 1312863650 /nfs/dbraw/zinc/86/36/50/1312863650.db2.gz SLDQMYNOEDGFAP-GXFFZTMASA-N 0 1 344.249 2.756 20 10 EFCDMN COc1cc([O-])c(C[N@H+]2CCC[C@@H](O)[C@@H](C)C2)cc1Br ZINC001233135415 1312863654 /nfs/dbraw/zinc/86/36/54/1312863654.db2.gz SLDQMYNOEDGFAP-GXFFZTMASA-N 0 1 344.249 2.756 20 10 EFCDMN COc1cc([O-])c(C[N@@H+]2CC[C@@](C)(O)[C@H](C)C2)cc1Br ZINC001233134863 1312863664 /nfs/dbraw/zinc/86/36/64/1312863664.db2.gz GJOCPHQJZSJIMQ-MEBBXXQBSA-N 0 1 344.249 2.756 20 10 EFCDMN COc1cc([O-])c(C[N@H+]2CC[C@@](C)(O)[C@H](C)C2)cc1Br ZINC001233134863 1312863668 /nfs/dbraw/zinc/86/36/68/1312863668.db2.gz GJOCPHQJZSJIMQ-MEBBXXQBSA-N 0 1 344.249 2.756 20 10 EFCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)cc1Br ZINC001233134851 1312863795 /nfs/dbraw/zinc/86/37/95/1312863795.db2.gz GFBOKRJZCSLGIP-ZWNOBZJWSA-N 0 1 344.249 2.756 20 10 EFCDMN COc1cc([O-])c(C[N@H+]2CCC[C@@H](C)[C@H]2CO)cc1Br ZINC001233134851 1312863798 /nfs/dbraw/zinc/86/37/98/1312863798.db2.gz GFBOKRJZCSLGIP-ZWNOBZJWSA-N 0 1 344.249 2.756 20 10 EFCDMN COc1cc([O-])c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1Br ZINC001233137148 1312864355 /nfs/dbraw/zinc/86/43/55/1312864355.db2.gz HTHQZWUVAQQJLI-PWSUYJOCSA-N 0 1 342.233 2.632 20 10 EFCDMN 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CCOC(=O)[C@H](C[C@H]1CCCO1)NCc1cc(Cl)cc(F)c1O ZINC000895863900 724346970 /nfs/dbraw/zinc/34/69/70/724346970.db2.gz LIUHTFRQVDJNES-OCCSQVGLSA-N 0 1 345.798 2.775 20 10 EFCDMN CCOC(=O)[C@@H](C[C@@H]1CCCO1)NCc1cc(Cl)cc(F)c1O ZINC000895863898 724347032 /nfs/dbraw/zinc/34/70/32/724347032.db2.gz LIUHTFRQVDJNES-GXTWGEPZSA-N 0 1 345.798 2.775 20 10 EFCDMN CCOC(=O)[C@H](C[C@@H]1CCCO1)NCc1cccc(Cl)c1O ZINC000895866853 724362065 /nfs/dbraw/zinc/36/20/65/724362065.db2.gz ZOLALZFCHYYNMR-JSGCOSHPSA-N 0 1 327.808 2.636 20 10 EFCDMN C/C=C(/C=C\C(=O)NCc1ccc(N2CCN(C)CC2)cc1)CC ZINC000918857598 728933064 /nfs/dbraw/zinc/93/30/64/728933064.db2.gz QBKBVADUOGMHBO-XBEZRJQQSA-N 0 1 327.472 2.967 20 10 EFCDMN CS(=O)(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000800535107 725471965 /nfs/dbraw/zinc/47/19/65/725471965.db2.gz ZTDOUKKMEKTFAB-GFCCVEGCSA-N 0 1 335.828 2.584 20 10 EFCDMN O=c1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)[nH]c2ccnn21 ZINC000731848093 726941963 /nfs/dbraw/zinc/94/19/63/726941963.db2.gz 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CCOC(=O)CC[N@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000174423015 728664524 /nfs/dbraw/zinc/66/45/24/728664524.db2.gz PASNKXHJRJBSHU-UHFFFAOYSA-N 0 1 330.222 2.930 20 10 EFCDMN CCOC(=O)CC[N@@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000174423015 728664526 /nfs/dbraw/zinc/66/45/26/728664526.db2.gz PASNKXHJRJBSHU-UHFFFAOYSA-N 0 1 330.222 2.930 20 10 EFCDMN Cc1cc(C(=O)N[C@H](C)c2nnc[nH]2)c(C)n1-c1ccc(F)cc1 ZINC000174518388 728668274 /nfs/dbraw/zinc/66/82/74/728668274.db2.gz OCFMCFOTEQUIOK-LLVKDONJSA-N 0 1 327.363 2.842 20 10 EFCDMN Cc1cc(N(C)C)ccc1CNC(=O)NCc1cc(N(C)C)ccn1 ZINC000919072125 728968021 /nfs/dbraw/zinc/96/80/21/728968021.db2.gz NBRAHUQCUWRSPO-UHFFFAOYSA-N 0 1 341.459 2.521 20 10 EFCDMN C[C@@](CO)(NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000237653875 729596679 /nfs/dbraw/zinc/59/66/79/729596679.db2.gz GDJSLKBFIJPKTO-FQEVSTJZSA-N 0 1 344.430 2.660 20 10 EFCDMN COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cccc(C(=O)[O-])c2)c1 ZINC001610981525 970826707 /nfs/dbraw/zinc/82/67/07/970826707.db2.gz 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CCC[N@@H+](CC(=O)Nc1ccc(C(=O)[O-])cc1)Cc1ccccc1O ZINC000737821401 978447055 /nfs/dbraw/zinc/44/70/55/978447055.db2.gz QBCCNTQWBHAOAW-UHFFFAOYSA-N 0 1 342.395 2.941 20 10 EFCDMN Cc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])c1O ZINC000840997428 979299227 /nfs/dbraw/zinc/29/92/27/979299227.db2.gz IBLKRMDCKPFKOD-GFCCVEGCSA-N 0 1 328.206 2.902 20 10 EFCDMN COC1CCN(c2ccc(C[N@@H+](C[C@@H](C)C(=O)[O-])C3CC3)cc2)CC1 ZINC000846275886 979443265 /nfs/dbraw/zinc/44/32/65/979443265.db2.gz LYTXZPWDEGSASZ-OAHLLOKOSA-N 0 1 346.471 2.987 20 10 EFCDMN Cc1cc(C[N@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)ccc1N(C)C ZINC000846276755 979444144 /nfs/dbraw/zinc/44/41/44/979444144.db2.gz BLZIJZYCXLHLNV-HNNXBMFYSA-N 0 1 330.350 2.900 20 10 EFCDMN COC1CCN(c2ccc(C[N@H+]3CC[C@H](C(=O)[O-])[C@H]3C)cc2)CC1 ZINC000846284468 979455911 /nfs/dbraw/zinc/45/59/11/979455911.db2.gz LBHBEGUCLSFQTF-KDOFPFPSSA-N 0 1 332.444 2.597 20 10 EFCDMN Cc1cc(CNC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)oc1C(=O)[O-] ZINC000905810625 981162553 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0 1 328.412 2.871 20 10 EFCDMN CSCC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C(=O)N(C)C ZINC000841755551 1104822111 /nfs/dbraw/zinc/82/21/11/1104822111.db2.gz JAYJZDQSUDMLST-GWCFXTLKSA-N 0 1 330.881 2.906 20 10 EFCDMN CC1(C)CCN(Cc2cccc(Br)c2O)CC[S@@]1=O ZINC000322174767 1105658370 /nfs/dbraw/zinc/65/83/70/1105658370.db2.gz XZWVIZJWAWVAQW-IBGZPJMESA-N 0 1 346.290 2.888 20 10 EFCDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCCc2ccc(N)cc2)n[nH]1 ZINC000841959341 1106047646 /nfs/dbraw/zinc/04/76/46/1106047646.db2.gz MKPGQMHSESKSEK-NWDGAFQWSA-N 0 1 330.436 2.503 20 10 EFCDMN CC(C)C(=O)N1CCC[C@]12CC[N@@H+](Cc1cc(F)c(F)cc1[O-])C2 ZINC001142520832 1106112478 /nfs/dbraw/zinc/11/24/78/1106112478.db2.gz QCWDDZVKBPGWTI-GOSISDBHSA-N 0 1 338.398 2.893 20 10 EFCDMN CN1CCN(c2ccc(CNc3cnn(C4CCC4)c3)cc2)CC1 ZINC000897877896 1106127693 /nfs/dbraw/zinc/12/76/93/1106127693.db2.gz PTXVRVALKUOVRD-UHFFFAOYSA-N 0 1 325.460 2.972 20 10 EFCDMN [O-]c1cccc(Br)c1C[NH2+]Cc1ccc(CCO)cc1 ZINC000898169671 1106257677 /nfs/dbraw/zinc/25/76/77/1106257677.db2.gz KMCDRPYNPRYEAN-UHFFFAOYSA-N 0 1 336.229 2.979 20 10 EFCDMN CCN(CC)Cc1csc(NC(=O)c2c(F)ccc(O)c2O)n1 ZINC000898312550 1106317866 /nfs/dbraw/zinc/31/78/66/1106317866.db2.gz IBWWRPRHDYZXFD-UHFFFAOYSA-N 0 1 339.392 2.788 20 10 EFCDMN CC(C)=CCN1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000989760776 1106627974 /nfs/dbraw/zinc/62/79/74/1106627974.db2.gz BRGSMIVOBAGCLT-UHFFFAOYSA-N 0 1 343.431 2.963 20 10 EFCDMN C[C@](O)(C[NH2+]Cc1ccc(Br)cc1[O-])C(F)(F)F ZINC000698616762 1106945057 /nfs/dbraw/zinc/94/50/57/1106945057.db2.gz PRXOLGXHHGBMJJ-JTQLQIEISA-N 0 1 328.128 2.558 20 10 EFCDMN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1[nH]nc(C(F)(F)F)c1C ZINC001120736077 1107206824 /nfs/dbraw/zinc/20/68/24/1107206824.db2.gz HPPWFWREBWVOOI-UHFFFAOYSA-N 0 1 348.321 2.858 20 10 EFCDMN COc1cc(O)c(CN2CCCO[C@H](C)C2)cc1Br ZINC001233135738 1107656807 /nfs/dbraw/zinc/65/68/07/1107656807.db2.gz YZLKTZNJQRHTSM-SNVBAGLBSA-N 0 1 330.222 2.774 20 10 EFCDMN O=C1CCN(Cc2cc(Br)cc(F)c2O)CC[C@H]1F ZINC001235056822 1111602801 /nfs/dbraw/zinc/60/28/01/1111602801.db2.gz ICJIQCQDCFJRCJ-SNVBAGLBSA-N 0 1 334.160 2.797 20 10 EFCDMN Cc1ccc(O)c(CN2CCC[C@]23CCN(CC(F)(F)F)C3=O)c1 ZINC001272622553 1111759805 /nfs/dbraw/zinc/75/98/05/1111759805.db2.gz NJCWTPNVQDDOEC-MRXNPFEDSA-N 0 1 342.361 2.830 20 10 EFCDMN COc1cc([O-])c(C[NH+]2CCC3(COC3)CC2)c(Br)c1 ZINC001237064124 1118568655 /nfs/dbraw/zinc/56/86/55/1118568655.db2.gz WWJMNNPFMGTRFO-UHFFFAOYSA-N 0 1 342.233 2.776 20 10 EFCDMN Oc1c(Cl)cc(F)cc1CN1CCN(CC(F)(F)F)CC1 ZINC001237798185 1119010224 /nfs/dbraw/zinc/01/02/24/1119010224.db2.gz AADUWUJFFUUKON-UHFFFAOYSA-N 0 1 326.721 2.865 20 10 EFCDMN CC[C@H]([NH2+]CC1(C)OCCO1)c1cc(Br)ccc1[O-] ZINC000186306881 529590657 /nfs/dbraw/zinc/59/06/57/529590657.db2.gz ORDPVSSTTDOHSS-LBPRGKRZSA-N 0 1 330.222 2.958 20 10 EFCDMN CN(C)c1ccc(CNC(=O)CN(C)CCc2cccs2)cc1 ZINC000173756791 529780698 /nfs/dbraw/zinc/78/06/98/529780698.db2.gz BAFTYDVBEXIKCS-UHFFFAOYSA-N 0 1 331.485 2.605 20 10 EFCDMN COc1ccc(N2CCCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)cc1 ZINC000065551899 214958090 /nfs/dbraw/zinc/95/80/90/214958090.db2.gz ROJKZGTVFCNQCV-UHFFFAOYSA-N 0 1 340.427 2.648 20 10 EFCDMN COc1cc(O)c(CN2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000158824342 239013597 /nfs/dbraw/zinc/01/35/97/239013597.db2.gz XXOJVFMCYBXVAY-UHFFFAOYSA-N 0 1 346.402 2.871 20 10 EFCDMN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCN(c2cnccn2)CC1 ZINC000157915895 239002800 /nfs/dbraw/zinc/00/28/00/239002800.db2.gz YPKFFEYAVRAEGO-UHFFFAOYSA-N 0 1 339.226 2.811 20 10 EFCDMN NC(=O)c1csc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000160202249 239044333 /nfs/dbraw/zinc/04/43/33/239044333.db2.gz WIFAFYOKDPYHCG-OAHLLOKOSA-N 0 1 346.452 2.734 20 10 EFCDMN NC(=O)c1csc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000160202100 239045778 /nfs/dbraw/zinc/04/57/78/239045778.db2.gz WIFAFYOKDPYHCG-HNNXBMFYSA-N 0 1 346.452 2.734 20 10 EFCDMN CCS(=O)(=O)CCN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000163472342 239105423 /nfs/dbraw/zinc/10/54/23/239105423.db2.gz OFGMWIYWMISHOM-AWEZNQCLSA-N 0 1 342.480 2.901 20 10 EFCDMN CCOC(=O)N1CCN(Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC000023381743 212372644 /nfs/dbraw/zinc/37/26/44/212372644.db2.gz MYSQAPGENMPUFM-UHFFFAOYSA-N 0 1 344.411 2.828 20 10 EFCDMN COc1cc(N2CCN(C[C@@H]3CCC=CO3)CC2)cc(OC)c1OC ZINC000194676846 240171248 /nfs/dbraw/zinc/17/12/48/240171248.db2.gz UPAAQDLVTYBVQH-INIZCTEOSA-N 0 1 348.443 2.527 20 10 EFCDMN CC[C@@H]([NH2+]C[C@H](COC)OC)c1cc(Br)ccc1[O-] ZINC000229574289 240234007 /nfs/dbraw/zinc/23/40/07/240234007.db2.gz ORNBFWIVRJJXLS-DGCLKSJQSA-N 0 1 332.238 2.857 20 10 EFCDMN CC[C@H]([NH2+][C@H](CCO)COC)c1cc(Br)ccc1[O-] ZINC000229556241 240234129 /nfs/dbraw/zinc/23/41/29/240234129.db2.gz UKBVNQOCVRSGAX-YPMHNXCESA-N 0 1 332.238 2.593 20 10 EFCDMN COCCOC1(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])CCOCC1 ZINC000296514182 241088860 /nfs/dbraw/zinc/08/88/60/241088860.db2.gz PPETZIGXGJDVNO-CYBMUJFWSA-N 0 1 343.851 2.908 20 10 EFCDMN C[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1cc(F)ccc1[O-] ZINC000296635012 241092537 /nfs/dbraw/zinc/09/25/37/241092537.db2.gz BQKRKWNNIXNPTO-DCBWTQNWSA-N 0 1 329.437 2.785 20 10 EFCDMN Cc1cc(NC(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)no1 ZINC000298689175 241156692 /nfs/dbraw/zinc/15/66/92/241156692.db2.gz CSHKYVCDUOBRNF-UHFFFAOYSA-N 0 1 330.432 2.898 20 10 EFCDMN Cc1[nH]ncc1CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298883916 241162597 /nfs/dbraw/zinc/16/25/97/241162597.db2.gz LOPFZLDQLUFIDR-UHFFFAOYSA-N 0 1 327.432 2.658 20 10 EFCDMN COc1cccc([C@@H](CNC(=O)NCc2ccccc2O)N(C)C)c1 ZINC000299561600 241180924 /nfs/dbraw/zinc/18/09/24/241180924.db2.gz ZTCCMYROLHLTIV-QGZVFWFLSA-N 0 1 343.427 2.503 20 10 EFCDMN C[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1cc(Cl)ccc1[O-] ZINC000363853280 242283266 /nfs/dbraw/zinc/28/32/66/242283266.db2.gz KHDKHBVTCATUQX-XHDPSFHLSA-N 0 1 335.835 2.963 20 10 EFCDMN C[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1cc(Cl)ccc1[O-] ZINC000363853278 242284315 /nfs/dbraw/zinc/28/43/15/242284315.db2.gz KHDKHBVTCATUQX-NHYWBVRUSA-N 0 1 335.835 2.963 20 10 EFCDMN C[C@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@]2(CCCOC2)O1 ZINC000366483929 242355315 /nfs/dbraw/zinc/35/53/15/242355315.db2.gz IKQSMYKCERTEGI-ZBEGNZNMSA-N 0 1 329.799 2.955 20 10 EFCDMN O=C1NCCN(Cc2c(O)ccc(Cl)c2F)[C@@H]1c1cccs1 ZINC000364513452 242300475 /nfs/dbraw/zinc/30/04/75/242300475.db2.gz ONOGIQSUDVYIDT-CQSZACIVSA-N 0 1 340.807 2.919 20 10 EFCDMN C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(F)c(F)c1[O-] ZINC000187726617 296115027 /nfs/dbraw/zinc/11/50/27/296115027.db2.gz JFCASLRJTNCXJC-CHWSQXEVSA-N 0 1 340.414 2.822 20 10 EFCDMN C[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192832424 296131354 /nfs/dbraw/zinc/13/13/54/296131354.db2.gz GSBKAHDGTPWICJ-NWDGAFQWSA-N 0 1 346.302 2.986 20 10 EFCDMN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)cc2)c1 ZINC000095349473 218283508 /nfs/dbraw/zinc/28/35/08/218283508.db2.gz SZVYYVVHBZJRIZ-UHFFFAOYSA-N 0 1 341.772 2.633 20 10 EFCDMN COc1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)cn1 ZINC000085795064 544513325 /nfs/dbraw/zinc/51/33/25/544513325.db2.gz ALTRSJTWHQRYOP-QGZVFWFLSA-N 0 1 328.412 2.977 20 10 EFCDMN C[C@@H]1CN(c2ccc(C[NH2+]Cc3c([O-])cccc3Cl)cn2)CCO1 ZINC000113322521 544568730 /nfs/dbraw/zinc/56/87/30/544568730.db2.gz LFHZOSCMCNAWAX-CYBMUJFWSA-N 0 1 347.846 2.956 20 10 EFCDMN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1sccc1CN(C)C ZINC000274903467 279379174 /nfs/dbraw/zinc/37/91/74/279379174.db2.gz GXAIJMNWPGBZLQ-LLVKDONJSA-N 0 1 334.441 2.582 20 10 EFCDMN CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000184979151 473290537 /nfs/dbraw/zinc/29/05/37/473290537.db2.gz AXJLQMYSQKTJNI-NSHDSACASA-N 0 1 346.880 2.510 20 10 EFCDMN C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000185028550 473305452 /nfs/dbraw/zinc/30/54/52/473305452.db2.gz FDNFLOTZUKQSPM-RYUDHWBXSA-N 0 1 343.265 2.526 20 10 EFCDMN C[C@H](CN1CCCC1=O)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000185109631 473330538 /nfs/dbraw/zinc/33/05/38/473330538.db2.gz JBVLNMODFJSOFG-MNOVXSKESA-N 0 1 341.249 2.816 20 10 EFCDMN CC[C@@H]([NH2+]CC(C)(C)C(N)=O)c1cc(Br)ccc1[O-] ZINC000185214096 473363640 /nfs/dbraw/zinc/36/36/40/473363640.db2.gz KAMXGJSSFRKESA-LLVKDONJSA-N 0 1 329.238 2.707 20 10 EFCDMN CC[C@@H]([NH2+]CCNC(=O)C(C)C)c1cc(Br)ccc1[O-] ZINC000020125287 471986857 /nfs/dbraw/zinc/98/68/57/471986857.db2.gz BGTFVUVRLJWQQC-CYBMUJFWSA-N 0 1 343.265 2.968 20 10 EFCDMN CCOc1cccc(CN2CCC[C@H]2C(=O)NCc2ccco2)c1O ZINC000128186773 472414514 /nfs/dbraw/zinc/41/45/14/472414514.db2.gz SGJBJMYFTHRRKC-INIZCTEOSA-N 0 1 344.411 2.665 20 10 EFCDMN CCOc1ccc(O)c(CN2CCC[C@H]2C(=O)NCc2ccco2)c1 ZINC000128246044 472424736 /nfs/dbraw/zinc/42/47/36/472424736.db2.gz PFRGFQPBZQTEAE-KRWDZBQOSA-N 0 1 344.411 2.665 20 10 EFCDMN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000154664248 472458327 /nfs/dbraw/zinc/45/83/27/472458327.db2.gz BGGUWTICSMSJNU-UHFFFAOYSA-N 0 1 349.394 2.577 20 10 EFCDMN C[C@@H]1SCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000118533865 472498430 /nfs/dbraw/zinc/49/84/30/472498430.db2.gz RUVCCAXCIAVGAT-GJZGRUSLSA-N 0 1 335.517 2.537 20 10 EFCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])[C@H]1CCCCNC1=O ZINC000119216558 472537351 /nfs/dbraw/zinc/53/73/51/472537351.db2.gz RIDDXXUPUMLQAZ-ZDUSSCGKSA-N 0 1 341.249 2.645 20 10 EFCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@H]1CCCCNC1=O ZINC000119216558 472537358 /nfs/dbraw/zinc/53/73/58/472537358.db2.gz RIDDXXUPUMLQAZ-ZDUSSCGKSA-N 0 1 341.249 2.645 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[NH+]2CCC(Cn3ccnn3)CC2)c1[O-] ZINC000155630270 472583830 /nfs/dbraw/zinc/58/38/30/472583830.db2.gz SACORKSJRMTUQI-UHFFFAOYSA-N 0 1 348.834 2.752 20 10 EFCDMN Cc1nc(CN2CCN(Cc3cc(C)c(C)cc3O)CC2)oc1C ZINC000103134117 472612807 /nfs/dbraw/zinc/61/28/07/472612807.db2.gz OREUEORINGLPPN-UHFFFAOYSA-N 0 1 329.444 2.932 20 10 EFCDMN C[C@H](N[C@@H](CO)c1cnn(C)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090885051 472663076 /nfs/dbraw/zinc/66/30/76/472663076.db2.gz AWMBCHWRWIHTLU-KSSFIOAISA-N 0 1 346.450 2.934 20 10 EFCDMN C[C@@H](N[C@H](CO)c1cnn(C)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090885054 472663203 /nfs/dbraw/zinc/66/32/03/472663203.db2.gz AWMBCHWRWIHTLU-RDTXWAMCSA-N 0 1 346.450 2.934 20 10 EFCDMN Cc1nsc(N2CCCN(Cc3ccc(N(C)C)c(F)c3)CC2)n1 ZINC000131805547 472693892 /nfs/dbraw/zinc/69/38/92/472693892.db2.gz CRKGYHOWALWZSG-UHFFFAOYSA-N 0 1 349.479 2.764 20 10 EFCDMN COc1cccc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1O ZINC000092048017 472847230 /nfs/dbraw/zinc/84/72/30/472847230.db2.gz XIAOUWIJKIMIFX-UHFFFAOYSA-N 0 1 343.383 2.631 20 10 EFCDMN CCOc1ccc(O)c(CN2CCN(Cc3cccc(O)c3)CC2)c1 ZINC000092789638 472986018 /nfs/dbraw/zinc/98/60/18/472986018.db2.gz INTHXQHYKVELIA-UHFFFAOYSA-N 0 1 342.439 2.814 20 10 EFCDMN C[N@@H+](CCCO)C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000093395027 473102295 /nfs/dbraw/zinc/10/22/95/473102295.db2.gz ZBIPHHDWRRMNHN-UHFFFAOYSA-N 0 1 347.286 2.978 20 10 EFCDMN CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093417109 473106268 /nfs/dbraw/zinc/10/62/68/473106268.db2.gz IWUJSOKWZNVBPO-VIFPVBQESA-N 0 1 340.272 2.954 20 10 EFCDMN CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093417109 473106271 /nfs/dbraw/zinc/10/62/71/473106271.db2.gz IWUJSOKWZNVBPO-VIFPVBQESA-N 0 1 340.272 2.954 20 10 EFCDMN COc1cc(O)c(CN2CCN(c3cccs3)CC2)cc1OC ZINC000160394017 473116929 /nfs/dbraw/zinc/11/69/29/473116929.db2.gz MOPXWMXXQWRGTR-UHFFFAOYSA-N 0 1 334.441 2.793 20 10 EFCDMN CCOCc1ccc(CNC(=O)CN(C)Cc2ccccc2O)cc1 ZINC000109769735 473119410 /nfs/dbraw/zinc/11/94/10/473119410.db2.gz LVHWLLUGQBEVLS-UHFFFAOYSA-N 0 1 342.439 2.677 20 10 EFCDMN CCOc1cccc(CN(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1O ZINC000093646787 473131001 /nfs/dbraw/zinc/13/10/01/473131001.db2.gz NGMAHNAUUGUOBP-HOCLYGCPSA-N 0 1 341.473 2.579 20 10 EFCDMN C[C@@H]1CCCCN1C(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000123482191 473146230 /nfs/dbraw/zinc/14/62/30/473146230.db2.gz KXDGKFVKKSRSBE-AEFFLSMTSA-N 0 1 346.471 2.774 20 10 EFCDMN COC(=O)c1coc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000111232940 473197939 /nfs/dbraw/zinc/19/79/39/473197939.db2.gz GPPXSANBSRRJMU-MRXNPFEDSA-N 0 1 345.395 2.953 20 10 EFCDMN COCCCN(C)CC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185554124 473454749 /nfs/dbraw/zinc/45/47/49/473454749.db2.gz ZIGRFVPPOUDPDN-LBPRGKRZSA-N 0 1 345.281 2.774 20 10 EFCDMN Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000126055726 473482937 /nfs/dbraw/zinc/48/29/37/473482937.db2.gz JLHKCCAKKHAUDS-KSSFIOAISA-N 0 1 340.471 2.901 20 10 EFCDMN C[C@@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185673929 473485616 /nfs/dbraw/zinc/48/56/16/473485616.db2.gz WJLRCCRMGQZNGJ-GVXVVHGQSA-N 0 1 344.249 2.999 20 10 EFCDMN CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(Br)ccc2[O-])C1 ZINC000185787238 473514303 /nfs/dbraw/zinc/51/43/03/473514303.db2.gz SGOCQDRZABMUJL-ZYHUDNBSSA-N 0 1 341.249 2.816 20 10 EFCDMN C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cc(Cl)ccc1[O-] ZINC000186021435 473572667 /nfs/dbraw/zinc/57/26/67/473572667.db2.gz CCAKYJLDQUQCTK-KCJUWKMLSA-N 0 1 336.741 2.859 20 10 EFCDMN C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cc(Cl)ccc1[O-] ZINC000186021388 473573140 /nfs/dbraw/zinc/57/31/40/473573140.db2.gz CCAKYJLDQUQCTK-GZMMTYOYSA-N 0 1 336.741 2.859 20 10 EFCDMN CC(C)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Br)ccc2[O-])C1=O ZINC000186047612 473578183 /nfs/dbraw/zinc/57/81/83/473578183.db2.gz VIOOWEILJQOGKE-GXFFZTMASA-N 0 1 341.249 2.815 20 10 EFCDMN C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccc(Br)cc1[O-] ZINC000186089223 473587808 /nfs/dbraw/zinc/58/78/08/473587808.db2.gz FDMSXKMRKIEOQU-ONGXEEELSA-N 0 1 339.233 2.569 20 10 EFCDMN C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc(Br)cc1[O-] ZINC000186089187 473588336 /nfs/dbraw/zinc/58/83/36/473588336.db2.gz FDMSXKMRKIEOQU-GXSJLCMTSA-N 0 1 339.233 2.569 20 10 EFCDMN Cc1[nH]ncc1CCCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000152711144 473590716 /nfs/dbraw/zinc/59/07/16/473590716.db2.gz IFRLGEGYIQLMDW-UHFFFAOYSA-N 0 1 339.443 2.526 20 10 EFCDMN CC[C@@H]([NH2+]C[C@@](C)(O)CCOC)c1cc(Br)ccc1[O-] ZINC000186195948 473612668 /nfs/dbraw/zinc/61/26/68/473612668.db2.gz QCKYKASSGFVVFY-HIFRSBDPSA-N 0 1 346.265 2.983 20 10 EFCDMN C[C@H](NCCS(=O)(=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000154122206 473667998 /nfs/dbraw/zinc/66/79/98/473667998.db2.gz VDXHKSCVSOSWAN-HNNXBMFYSA-N 0 1 332.469 2.877 20 10 EFCDMN CCCCN(Cc1cccc(OCC)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000179612790 473698477 /nfs/dbraw/zinc/69/84/77/473698477.db2.gz XKMLTSZXLOAAPH-HNNXBMFYSA-N 0 1 341.473 2.580 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)c3coc(C)c3)cc2F)CC1 ZINC000186703773 473733908 /nfs/dbraw/zinc/73/39/08/473733908.db2.gz DEAWKWSSEXPCKD-UHFFFAOYSA-N 0 1 345.418 2.799 20 10 EFCDMN CC[C@H]([NH2+]C[C@@H](C)N1CCN(C)CC1)c1cccc(Cl)c1[O-] ZINC000287695893 473736934 /nfs/dbraw/zinc/73/69/34/473736934.db2.gz NJWOSYQBBGSXTQ-CJNGLKHVSA-N 0 1 325.884 2.722 20 10 EFCDMN COc1ccc(CN(CCO)Cc2cc(F)ccc2O)c(OC)c1 ZINC000180147844 473810129 /nfs/dbraw/zinc/81/01/29/473810129.db2.gz SIHKCWODJNBSHL-UHFFFAOYSA-N 0 1 335.375 2.543 20 10 EFCDMN O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000275132696 474079951 /nfs/dbraw/zinc/07/99/51/474079951.db2.gz KYBPRHMAIIIIFB-VIFPVBQESA-N 0 1 336.741 2.546 20 10 EFCDMN O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000275132696 474079957 /nfs/dbraw/zinc/07/99/57/474079957.db2.gz KYBPRHMAIIIIFB-VIFPVBQESA-N 0 1 336.741 2.546 20 10 EFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](CC(N)=O)C2CCCCC2)c1[O-] ZINC000182049734 474089407 /nfs/dbraw/zinc/08/94/07/474089407.db2.gz WPUKCKYXIZWHAR-INIZCTEOSA-N 0 1 336.407 2.648 20 10 EFCDMN CC(C)(C)n1ncnc1C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000282670194 474149713 /nfs/dbraw/zinc/14/97/13/474149713.db2.gz MQRRHMJJTDBAIG-UHFFFAOYSA-N 0 1 339.783 2.590 20 10 EFCDMN C[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)N1CCCCCC1 ZINC000175426543 474216527 /nfs/dbraw/zinc/21/65/27/474216527.db2.gz JPVDPQCLWSDRHK-OAHLLOKOSA-N 0 1 331.460 2.743 20 10 EFCDMN CC[C@@H](C)NC(=O)CC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000227440780 474245605 /nfs/dbraw/zinc/24/56/05/474245605.db2.gz NIJMAKDGLPTGQK-SNVBAGLBSA-N 0 1 329.238 2.549 20 10 EFCDMN CCc1nc([C@@H](C)NC(=O)c2cc(C)n(-c3ccccn3)c2C)n[nH]1 ZINC000270763602 474254455 /nfs/dbraw/zinc/25/44/55/474254455.db2.gz PKTHVZPIIABGTF-GFCCVEGCSA-N 0 1 338.415 2.661 20 10 EFCDMN COc1ccc(O)c(CN(CCNC(C)=O)Cc2ccsc2)c1 ZINC000283016022 474273983 /nfs/dbraw/zinc/27/39/83/474273983.db2.gz LWUXKYITZDKUOV-UHFFFAOYSA-N 0 1 334.441 2.601 20 10 EFCDMN CCc1nc([C@H](C)NC(=O)NCc2ccc(N3CCCC3)cc2)n[nH]1 ZINC000270824876 474282577 /nfs/dbraw/zinc/28/25/77/474282577.db2.gz ZFCLSKZLZCRWLM-ZDUSSCGKSA-N 0 1 342.447 2.528 20 10 EFCDMN C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000289612059 474344562 /nfs/dbraw/zinc/34/45/62/474344562.db2.gz LGTCXYRFNKOACA-SMDDNHRTSA-N 0 1 345.270 2.994 20 10 EFCDMN CC[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])[C@H](O)C(F)(F)F ZINC000270998345 474359948 /nfs/dbraw/zinc/35/99/48/474359948.db2.gz PPFOIBRGDHVGTC-KOLCDFICSA-N 0 1 342.155 2.946 20 10 EFCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)COC(C)C ZINC000266534845 474434501 /nfs/dbraw/zinc/43/45/01/474434501.db2.gz HASYQURUNNKNSR-CQSZACIVSA-N 0 1 346.265 2.763 20 10 EFCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)COC(C)C ZINC000266534845 474434506 /nfs/dbraw/zinc/43/45/06/474434506.db2.gz HASYQURUNNKNSR-CQSZACIVSA-N 0 1 346.265 2.763 20 10 EFCDMN CN(C)c1ccc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1F ZINC000289821478 474442514 /nfs/dbraw/zinc/44/25/14/474442514.db2.gz TYBCTVFKURGZKW-OLZOCXBDSA-N 0 1 334.357 2.884 20 10 EFCDMN CCc1nnc(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC000289830409 474445612 /nfs/dbraw/zinc/44/56/12/474445612.db2.gz OFDSGEAULMKXGV-UHFFFAOYSA-N 0 1 328.781 2.658 20 10 EFCDMN CCOc1cccc(CN2CCN(c3ncc(C)s3)CC2)c1O ZINC000271215494 474446231 /nfs/dbraw/zinc/44/62/31/474446231.db2.gz WSWHHLPHKQUBOE-UHFFFAOYSA-N 0 1 333.457 2.878 20 10 EFCDMN CC[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@H](O)C(F)(F)F ZINC000189869876 474497259 /nfs/dbraw/zinc/49/72/59/474497259.db2.gz DMQJLPNFCUBJIZ-JTQLQIEISA-N 0 1 342.701 2.699 20 10 EFCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000271418288 474537473 /nfs/dbraw/zinc/53/74/73/474537473.db2.gz LRACAAQNQHDFSF-CYBMUJFWSA-N 0 1 342.233 2.930 20 10 EFCDMN CC[C@H](C)c1nc([C@@H](C)NCc2cc(OC)c(OC)cc2O)n[nH]1 ZINC000276829233 474572082 /nfs/dbraw/zinc/57/20/82/474572082.db2.gz BIIZNMFGFPTLDL-WDEREUQCSA-N 0 1 334.420 2.892 20 10 EFCDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCc2ccc(N(C)C)cc2)n[nH]1 ZINC000277131709 474578154 /nfs/dbraw/zinc/57/81/54/474578154.db2.gz CQDQKXCCAXADLH-CHWSQXEVSA-N 0 1 344.463 2.945 20 10 EFCDMN CCc1nc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)n[nH]1 ZINC000271532834 474580797 /nfs/dbraw/zinc/58/07/97/474580797.db2.gz PVPGXSLSQZCJKG-KGLIPLIRSA-N 0 1 329.448 2.616 20 10 EFCDMN COc1cc(Cl)cc(CN2CCC(N3CCCC3=O)CC2)c1O ZINC000184688792 474584368 /nfs/dbraw/zinc/58/43/68/474584368.db2.gz IHEZRFJFIDJTQJ-UHFFFAOYSA-N 0 1 338.835 2.641 20 10 EFCDMN COc1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)nc1 ZINC000271926489 474597932 /nfs/dbraw/zinc/59/79/32/474597932.db2.gz LKYOXZQRSJTGDP-SFHVURJKSA-N 0 1 328.412 2.977 20 10 EFCDMN Cc1cc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)n(C)n1 ZINC000284368451 474628097 /nfs/dbraw/zinc/62/80/97/474628097.db2.gz OCTDECBCQUDNAR-CQSZACIVSA-N 0 1 332.423 2.555 20 10 EFCDMN CCOc1ccc(O)c(CN2CCN(c3nc(C)cc(C)n3)CC2)c1 ZINC000272935603 474645241 /nfs/dbraw/zinc/64/52/41/474645241.db2.gz LCZLMDZJXVMIGT-UHFFFAOYSA-N 0 1 342.443 2.520 20 10 EFCDMN COc1ccc(CNCc2cc(C)nc(N3CCCC3)n2)cc1C ZINC000292828945 474664989 /nfs/dbraw/zinc/66/49/89/474664989.db2.gz QXTYWHMSLYJUGI-UHFFFAOYSA-N 0 1 326.444 2.992 20 10 EFCDMN COc1ccc(N2CCN(CCCNC(=O)C3(C)CCC3)CC2)cc1 ZINC000267472440 474672333 /nfs/dbraw/zinc/67/23/33/474672333.db2.gz RBXKXXYUZKEKGC-UHFFFAOYSA-N 0 1 345.487 2.514 20 10 EFCDMN COc1cccc2c1CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C2 ZINC000278525945 474682129 /nfs/dbraw/zinc/68/21/29/474682129.db2.gz TYNLSGUXKMTTSQ-UHFFFAOYSA-N 0 1 344.367 2.876 20 10 EFCDMN COc1cccc2c1CCN(Cc1ccc([N+](=O)[O-])c(OC)c1O)C2 ZINC000278525945 474682137 /nfs/dbraw/zinc/68/21/37/474682137.db2.gz TYNLSGUXKMTTSQ-UHFFFAOYSA-N 0 1 344.367 2.876 20 10 EFCDMN COC[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])[C@@H]1CCCO1 ZINC000278702862 474784281 /nfs/dbraw/zinc/78/42/81/474784281.db2.gz HLTLPAXNWPOSQF-XEGUGMAKSA-N 0 1 344.249 2.999 20 10 EFCDMN COC[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])[C@H]1CCCO1 ZINC000278806337 474843810 /nfs/dbraw/zinc/84/38/10/474843810.db2.gz NGFRDOVDHKKRJY-VZJVUDMVSA-N 0 1 344.249 2.999 20 10 EFCDMN COc1cccc(CN[C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c1O ZINC000278825940 474857603 /nfs/dbraw/zinc/85/76/03/474857603.db2.gz UKSPLLIHOCVKMH-GFCCVEGCSA-N 0 1 339.399 2.740 20 10 EFCDMN Cc1cc(CN2CCC[C@@H]2C(=O)NCc2ccco2)ccc1N(C)C ZINC000293263752 474897625 /nfs/dbraw/zinc/89/76/25/474897625.db2.gz XOQOPKYLJRANPG-LJQANCHMSA-N 0 1 341.455 2.935 20 10 EFCDMN C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000273473474 474917157 /nfs/dbraw/zinc/91/71/57/474917157.db2.gz KDTHKOJJMCVSSB-CLFVBBPSSA-N 0 1 334.279 2.962 20 10 EFCDMN COCC1(O)CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000280356538 475022522 /nfs/dbraw/zinc/02/25/22/475022522.db2.gz UICNNGLDYIHBTH-UHFFFAOYSA-N 0 1 346.393 2.745 20 10 EFCDMN CN(C)c1ccc(CN2CCC[C@@H](OCCO)C2)c(C(F)(F)F)c1 ZINC000280381296 475022581 /nfs/dbraw/zinc/02/25/81/475022581.db2.gz WDMLBSDZGYGXKT-OAHLLOKOSA-N 0 1 346.393 2.745 20 10 EFCDMN CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000286389660 475063068 /nfs/dbraw/zinc/06/30/68/475063068.db2.gz IWINXQZJMRPMGK-HNNXBMFYSA-N 0 1 336.407 2.615 20 10 EFCDMN CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000286389660 475063076 /nfs/dbraw/zinc/06/30/76/475063076.db2.gz IWINXQZJMRPMGK-HNNXBMFYSA-N 0 1 336.407 2.615 20 10 EFCDMN COC1CCN(c2ccc(CN(C)[C@@H](C)C[S@](C)=O)cc2)CC1 ZINC000294868177 475088729 /nfs/dbraw/zinc/08/87/29/475088729.db2.gz AUXRXOFPKSAODY-WNSKOXEYSA-N 0 1 338.517 2.501 20 10 EFCDMN C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000295695592 475131135 /nfs/dbraw/zinc/13/11/35/475131135.db2.gz PCJMFGUBOJYYAI-RYUDHWBXSA-N 0 1 336.407 2.620 20 10 EFCDMN C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000295695592 475131144 /nfs/dbraw/zinc/13/11/44/475131144.db2.gz PCJMFGUBOJYYAI-RYUDHWBXSA-N 0 1 336.407 2.620 20 10 EFCDMN C[C@@H]([NH2+]CC(C)(C)OCCO)c1ccc(Br)cc1[O-] ZINC000287520130 475181614 /nfs/dbraw/zinc/18/16/14/475181614.db2.gz ZPADXZHADHRJIP-SNVBAGLBSA-N 0 1 332.238 2.593 20 10 EFCDMN CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000292781888 475194823 /nfs/dbraw/zinc/19/48/23/475194823.db2.gz UDUUECDKZNRASS-NSHDSACASA-N 0 1 343.265 2.797 20 10 EFCDMN Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])C2 ZINC000360255626 476296872 /nfs/dbraw/zinc/29/68/72/476296872.db2.gz VSRHZYMNOLRSSJ-CQSZACIVSA-N 0 1 348.244 2.900 20 10 EFCDMN O=[N+]([O-])c1cc(Cl)cc(CNc2c[nH+]ccc2-n2ccnn2)c1[O-] ZINC000368550520 476355232 /nfs/dbraw/zinc/35/52/32/476355232.db2.gz HVYKMZGZORSJKB-UHFFFAOYSA-N 0 1 346.734 2.542 20 10 EFCDMN CN(C)c1ccc(CN[C@@H](c2nnc[nH]2)c2ccccc2)cc1F ZINC000372928729 476362508 /nfs/dbraw/zinc/36/25/08/476362508.db2.gz XNVWRHPDGSNPRI-QGZVFWFLSA-N 0 1 325.391 2.889 20 10 EFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000373163765 476379201 /nfs/dbraw/zinc/37/92/01/476379201.db2.gz KLPFKAYIPZOIGZ-DZGCQCFKSA-N 0 1 342.233 2.582 20 10 EFCDMN c1cc([C@@H]2CCCCN2Cc2ccc(N3CCOCC3)cc2)n[nH]1 ZINC000377617578 476475802 /nfs/dbraw/zinc/47/58/02/476475802.db2.gz AKXCBARTOGGFFI-IBGZPJMESA-N 0 1 326.444 2.974 20 10 EFCDMN COc1c([O-])c(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000370528731 476855741 /nfs/dbraw/zinc/85/57/41/476855741.db2.gz PSYPPUWXHDVFDA-OAHLLOKOSA-N 0 1 344.367 2.962 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000370528731 476855748 /nfs/dbraw/zinc/85/57/48/476855748.db2.gz PSYPPUWXHDVFDA-OAHLLOKOSA-N 0 1 344.367 2.962 20 10 EFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000371330131 477247045 /nfs/dbraw/zinc/24/70/45/477247045.db2.gz AQNAMZRWOGSQLG-WDEREUQCSA-N 0 1 326.780 2.812 20 10 EFCDMN Cc1cc(C(=O)NC2CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)no1 ZINC000371412745 477301670 /nfs/dbraw/zinc/30/16/70/477301670.db2.gz XONNJXBCLPFKTI-UHFFFAOYSA-N 0 1 349.818 2.736 20 10 EFCDMN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000418095631 477465555 /nfs/dbraw/zinc/46/55/55/477465555.db2.gz HCLWXSSBBIWRKG-GASCZTMLSA-N 0 1 326.444 2.523 20 10 EFCDMN O=S1(=O)C[C@H](NCc2c(O)ccc(Cl)c2F)c2ccccc21 ZINC000372777536 477814162 /nfs/dbraw/zinc/81/41/62/477814162.db2.gz WJRJAYQWNBKDEU-LBPRGKRZSA-N 0 1 341.791 2.803 20 10 EFCDMN CCOC[C@H]1CN(Cc2c(O)ccc3ccc(OC)cc32)CCO1 ZINC000530107181 477876916 /nfs/dbraw/zinc/87/69/16/477876916.db2.gz QBMHSCKHSYRKDY-MRXNPFEDSA-N 0 1 331.412 2.791 20 10 EFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1noc2c1COCC2 ZINC000527609865 478443505 /nfs/dbraw/zinc/44/35/05/478443505.db2.gz NKMLDXWUMXVOLP-UHFFFAOYSA-N 0 1 343.166 2.690 20 10 EFCDMN COc1ccc2c(c1)c1c(n2CC(=O)Nc2nnc(C)[nH]2)CCCC1 ZINC000651256725 481663174 /nfs/dbraw/zinc/66/31/74/481663174.db2.gz LUFVLBSHVXQBHE-UHFFFAOYSA-N 0 1 339.399 2.594 20 10 EFCDMN COc1ccc2c(c1)c1c(n2CC(=O)Nc2nc(C)n[nH]2)CCCC1 ZINC000651256725 481663181 /nfs/dbraw/zinc/66/31/81/481663181.db2.gz LUFVLBSHVXQBHE-UHFFFAOYSA-N 0 1 339.399 2.594 20 10 EFCDMN CCCNC(=O)C[NH2+][C@@H](CC)c1cc(Br)ccc1[O-] ZINC000036780957 519880109 /nfs/dbraw/zinc/88/01/09/519880109.db2.gz OSGCXFUHQJCCPS-LBPRGKRZSA-N 0 1 329.238 2.722 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1[O-] ZINC000177100803 527205695 /nfs/dbraw/zinc/20/56/95/527205695.db2.gz ISTZNQLEVNBNIE-LBPRGKRZSA-N 0 1 339.819 2.833 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](C3OCCO3)C2)c1[O-] ZINC000177100803 527205704 /nfs/dbraw/zinc/20/57/04/527205704.db2.gz ISTZNQLEVNBNIE-LBPRGKRZSA-N 0 1 339.819 2.833 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[NH+]2CCC(C3OCCO3)CC2)c1[O-] ZINC000177097613 527207234 /nfs/dbraw/zinc/20/72/34/527207234.db2.gz XXQSEYOJPZKNCI-UHFFFAOYSA-N 0 1 339.819 2.833 20 10 EFCDMN CCNC(=O)CC[N@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000174423525 528072047 /nfs/dbraw/zinc/07/20/47/528072047.db2.gz QUMUYCVJAUTBHU-UHFFFAOYSA-N 0 1 329.238 2.503 20 10 EFCDMN CCNC(=O)CC[N@@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000174423525 528072051 /nfs/dbraw/zinc/07/20/51/528072051.db2.gz QUMUYCVJAUTBHU-UHFFFAOYSA-N 0 1 329.238 2.503 20 10 EFCDMN CC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000160563045 528767065 /nfs/dbraw/zinc/76/70/65/528767065.db2.gz LAIBWHQHXPHILW-LLVKDONJSA-N 0 1 338.256 2.708 20 10 EFCDMN CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000160563045 528767070 /nfs/dbraw/zinc/76/70/70/528767070.db2.gz LAIBWHQHXPHILW-LLVKDONJSA-N 0 1 338.256 2.708 20 10 EFCDMN CCOCc1cc(CN[C@@H](C)C(=O)NCc2ccco2)ccc1OC ZINC000171786062 529034163 /nfs/dbraw/zinc/03/41/63/529034163.db2.gz QAGBQKGLEMCRAP-AWEZNQCLSA-N 0 1 346.427 2.619 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)C3CC3)cc2F)CC1 ZINC000171702959 529153039 /nfs/dbraw/zinc/15/30/39/529153039.db2.gz ADTTWLQUCAPIFR-AWEZNQCLSA-N 0 1 348.466 2.565 20 10 EFCDMN CC[C@@H]([NH2+]CCCOCCO)c1cc(Br)ccc1[O-] ZINC000157923294 529162557 /nfs/dbraw/zinc/16/25/57/529162557.db2.gz NNJKTVZJDMNYMD-CYBMUJFWSA-N 0 1 332.238 2.594 20 10 EFCDMN CCOc1ccc(O)c(CN2CCN(c3ccc(F)cn3)CC2)c1 ZINC000367724654 535752171 /nfs/dbraw/zinc/75/21/71/535752171.db2.gz GUQXQSZGODBYAB-UHFFFAOYSA-N 0 1 331.391 2.647 20 10 EFCDMN CC[C@H]([NH2+]C[C@H](COC)OC)c1cc(Br)ccc1[O-] ZINC000229574296 535909200 /nfs/dbraw/zinc/90/92/00/535909200.db2.gz ORNBFWIVRJJXLS-YPMHNXCESA-N 0 1 332.238 2.857 20 10 EFCDMN CCCN(CC(=O)N(C)C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000754723757 575477437 /nfs/dbraw/zinc/47/74/37/575477437.db2.gz UHVJERGDBIXPJO-UHFFFAOYSA-N 0 1 336.476 2.999 20 10 EFCDMN O=C([O-])[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000756319863 575717141 /nfs/dbraw/zinc/71/71/41/575717141.db2.gz AUZCMMDIVPCVSB-CYBMUJFWSA-N 0 1 339.750 2.676 20 10 EFCDMN CCC[C@H](C)C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(=O)[O-] ZINC000756387810 575728241 /nfs/dbraw/zinc/72/82/41/575728241.db2.gz MISLJKKWUCKPMS-QFBILLFUSA-N 0 1 347.503 2.808 20 10 EFCDMN CCC[C@@H](C)C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(=O)[O-] ZINC000756387812 575728679 /nfs/dbraw/zinc/72/86/79/575728679.db2.gz MISLJKKWUCKPMS-VQIMIIECSA-N 0 1 347.503 2.808 20 10 EFCDMN CCN(CC)C(=O)C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000756457268 575742170 /nfs/dbraw/zinc/74/21/70/575742170.db2.gz PPMJEYMXKPQPPQ-SNVBAGLBSA-N 0 1 329.238 2.674 20 10 EFCDMN C[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1cc(Br)ccc1[O-] ZINC000756510042 575752055 /nfs/dbraw/zinc/75/20/55/575752055.db2.gz GJOWEALOGYXWKA-MFKMUULPSA-N 0 1 344.249 2.593 20 10 EFCDMN C[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1ccc(Br)cc1[O-] ZINC000756562622 575762824 /nfs/dbraw/zinc/76/28/24/575762824.db2.gz HCLGGSZHWSWETR-NEPJUHHUSA-N 0 1 344.249 2.858 20 10 EFCDMN CCOC(=O)C1(C[NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000770665610 581123056 /nfs/dbraw/zinc/12/30/56/581123056.db2.gz NBVIPVNOJCWZPP-UHFFFAOYSA-N 0 1 328.206 2.588 20 10 EFCDMN COc1ccc(CNCc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000758485625 575870772 /nfs/dbraw/zinc/87/07/72/575870772.db2.gz AHSKMOHKTUAXCZ-UHFFFAOYSA-N 0 1 330.403 2.961 20 10 EFCDMN O=C(NCCCSc1nccs1)N1CCN(C2CCC2)CC1 ZINC000759600257 575907413 /nfs/dbraw/zinc/90/74/13/575907413.db2.gz CHORBMZUOKMXOJ-UHFFFAOYSA-N 0 1 340.518 2.505 20 10 EFCDMN CCc1ccc(CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)o1 ZINC000760654818 576058324 /nfs/dbraw/zinc/05/83/24/576058324.db2.gz BLDIPTFXSNFKSK-INIZCTEOSA-N 0 1 341.455 2.834 20 10 EFCDMN CCc1noc2ncc(S(=O)(=O)Nc3ccc(O)cc3C)cc12 ZINC000762447670 576303514 /nfs/dbraw/zinc/30/35/14/576303514.db2.gz XMJOOGBJRQAIHW-UHFFFAOYSA-N 0 1 333.369 2.600 20 10 EFCDMN O=C1CCCCN1C1CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000763227173 576368127 /nfs/dbraw/zinc/36/81/27/576368127.db2.gz WSYXVAHOSKAUFM-UHFFFAOYSA-N 0 1 339.439 2.917 20 10 EFCDMN CCN(CCc1cccs1)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000764215405 576441747 /nfs/dbraw/zinc/44/17/47/576441747.db2.gz LRYXOTRGTYCXQA-UHFFFAOYSA-N 0 1 345.512 2.995 20 10 EFCDMN C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cncs1 ZINC000765256542 577023946 /nfs/dbraw/zinc/02/39/46/577023946.db2.gz UKXCIQWBWIPWJT-UKRRQHHQSA-N 0 1 344.484 2.696 20 10 EFCDMN CCN1C[C@@H](C)N(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H]1C ZINC000765717940 577070338 /nfs/dbraw/zinc/07/03/38/577070338.db2.gz MEXQDRPIGLSYKR-DLBZAZTESA-N 0 1 342.487 2.687 20 10 EFCDMN CCc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)[nH]n1 ZINC000766005634 577097597 /nfs/dbraw/zinc/09/75/97/577097597.db2.gz WWRAPMFKTZRZMC-ZDUSSCGKSA-N 0 1 332.423 2.799 20 10 EFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)c1[O-] ZINC000766978042 577190539 /nfs/dbraw/zinc/19/05/39/577190539.db2.gz NJUCYTRBIUTYGJ-SGTLLEGYSA-N 0 1 331.387 2.988 20 10 EFCDMN CCCCN(Cc1ccc(OCC)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000768169037 577259000 /nfs/dbraw/zinc/25/90/00/577259000.db2.gz CCOOEQJIHXSVNK-OAHLLOKOSA-N 0 1 341.473 2.580 20 10 EFCDMN COc1cccc(O)c1CN1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000768245526 577262726 /nfs/dbraw/zinc/26/27/26/577262726.db2.gz APEAQDJTJCCFAZ-UHFFFAOYSA-N 0 1 336.432 2.844 20 10 EFCDMN CCOc1ccc(CN2CCCN(CC(F)(F)F)CC2)c(O)c1 ZINC000768252124 577263025 /nfs/dbraw/zinc/26/30/25/577263025.db2.gz XUHQKRZNJPYBBZ-UHFFFAOYSA-N 0 1 332.366 2.861 20 10 EFCDMN COc1cccc(O)c1CN1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000768352607 577267982 /nfs/dbraw/zinc/26/79/82/577267982.db2.gz PBOKXMGBQVYSOB-CYBMUJFWSA-N 0 1 336.432 2.890 20 10 EFCDMN COc1cccc(O)c1CN(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000768422652 577272690 /nfs/dbraw/zinc/27/26/90/577272690.db2.gz IKMAYWYFSOAIBS-UHFFFAOYSA-N 0 1 340.423 2.925 20 10 EFCDMN C[C@]1(c2ccccc2)CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 ZINC000768462724 577275910 /nfs/dbraw/zinc/27/59/10/577275910.db2.gz CFSJHFKWWIYWHK-AZUAARDMSA-N 0 1 341.407 2.566 20 10 EFCDMN Cc1cc(C(=O)N2C[C@H](C)N(C)C[C@H]2C)c(C)n1-c1ccccn1 ZINC000768845820 577308979 /nfs/dbraw/zinc/30/89/79/577308979.db2.gz OSUXNZKZRAFARC-LSDHHAIUSA-N 0 1 326.444 2.654 20 10 EFCDMN Cc1ccc(C(=O)OCCN(C)Cc2ccc(F)cc2)c(O)c1O ZINC000769095948 577333830 /nfs/dbraw/zinc/33/38/30/577333830.db2.gz SRVBOTLWHOSKEN-UHFFFAOYSA-N 0 1 333.359 2.834 20 10 EFCDMN COC(=O)c1cc2ccccc2c(C[N@H+]2CCC[C@H](C(=O)[O-])C2)c1O ZINC000737676230 577344682 /nfs/dbraw/zinc/34/46/82/577344682.db2.gz DBGUBSHPEDJXFB-ZDUSSCGKSA-N 0 1 343.379 2.629 20 10 EFCDMN CCOC(=O)C1(N(C)Cc2cc3c(cc2O)OCO3)CCCCC1 ZINC000769502826 577367994 /nfs/dbraw/zinc/36/79/94/577367994.db2.gz AGOVCGUHMBLWCY-UHFFFAOYSA-N 0 1 335.400 2.819 20 10 EFCDMN CCOc1ccc(CNCc2nc3cc(OC)ccc3n2C)c(O)c1 ZINC000769938250 577394436 /nfs/dbraw/zinc/39/44/36/577394436.db2.gz VPUKRXMARFRQHF-UHFFFAOYSA-N 0 1 341.411 2.976 20 10 EFCDMN Nc1ccc(Cc2nc(C(=O)OCCN3CCCCC3)cs2)cc1 ZINC000770411290 577416244 /nfs/dbraw/zinc/41/62/44/577416244.db2.gz MSPOUAADLIXDKW-UHFFFAOYSA-N 0 1 345.468 2.959 20 10 EFCDMN CN(Cc1ccc(N(C)C)cc1)Cc1cnc(N2CCCC2)nc1 ZINC000771933101 581261463 /nfs/dbraw/zinc/26/14/63/581261463.db2.gz DUJGCKYJVBGRLK-UHFFFAOYSA-N 0 1 325.460 2.775 20 10 EFCDMN CCc1nc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)n[nH]1 ZINC000773142705 581400472 /nfs/dbraw/zinc/40/04/72/581400472.db2.gz ZTQMPSIQGGCKEC-QWHCGFSZSA-N 0 1 347.438 2.755 20 10 EFCDMN C[C@H](NC(=O)N[C@@H]1CCCc2cn[nH]c21)c1ccc(N(C)C)cc1 ZINC000773612433 581450485 /nfs/dbraw/zinc/45/04/85/581450485.db2.gz RZNNWAZKZXRFCR-BLLLJJGKSA-N 0 1 327.432 2.914 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CCc3ccc(O)cc3CC2)ccc1[N+](=O)[O-] ZINC000774863431 581502612 /nfs/dbraw/zinc/50/26/12/581502612.db2.gz MXXJVOMNZXZGEV-UHFFFAOYSA-N 0 1 344.367 2.615 20 10 EFCDMN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1(C)C ZINC000774904061 581503749 /nfs/dbraw/zinc/50/37/49/581503749.db2.gz PBYJPCOFNSCRLA-KGLIPLIRSA-N 0 1 338.404 2.944 20 10 EFCDMN O=C([O-])C[C@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000821516878 598151753 /nfs/dbraw/zinc/15/17/53/598151753.db2.gz UWUTWDZMWFLYLV-SNVBAGLBSA-N 0 1 328.206 2.841 20 10 EFCDMN O=C([O-])C[C@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000821516878 598151754 /nfs/dbraw/zinc/15/17/54/598151754.db2.gz UWUTWDZMWFLYLV-SNVBAGLBSA-N 0 1 328.206 2.841 20 10 EFCDMN O=C([O-])/C=C\c1ccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000739623503 599768300 /nfs/dbraw/zinc/76/83/00/599768300.db2.gz FZUPDPOVYDPJDR-AGLBCWCQSA-N 0 1 342.355 2.800 20 10 EFCDMN CCOC(=O)C[N@H+](Cc1c(O)c(C(=O)[O-])cc2ccccc21)C1CC1 ZINC000737142951 599841199 /nfs/dbraw/zinc/84/11/99/599841199.db2.gz NPPFKLXLEXGGTJ-UHFFFAOYSA-N 0 1 343.379 2.771 20 10 EFCDMN CCOC(=O)C[N@@H+](Cc1c(O)c(C(=O)[O-])cc2ccccc21)C1CC1 ZINC000737142951 599841200 /nfs/dbraw/zinc/84/12/00/599841200.db2.gz NPPFKLXLEXGGTJ-UHFFFAOYSA-N 0 1 343.379 2.771 20 10 EFCDMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1O ZINC000738521038 600313401 /nfs/dbraw/zinc/31/34/01/600313401.db2.gz XSBNWFKJSMHYCJ-ZDUSSCGKSA-N 0 1 342.395 2.858 20 10 EFCDMN CC[N@H+]1CC[C@H](N(C)c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000829760767 600815226 /nfs/dbraw/zinc/81/52/26/600815226.db2.gz WMYWNNLJUGZNFB-CSIFZYERSA-N 0 1 347.415 2.859 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C[C@@H](C)C(=O)[O-])C2CC2)c1O ZINC000825946765 601194936 /nfs/dbraw/zinc/19/49/36/601194936.db2.gz PAXZFWIMLHGAIE-SECBINFHSA-N 0 1 325.792 2.933 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)c1O ZINC000825946765 601194937 /nfs/dbraw/zinc/19/49/37/601194937.db2.gz PAXZFWIMLHGAIE-SECBINFHSA-N 0 1 325.792 2.933 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)c1O ZINC000825946766 601194947 /nfs/dbraw/zinc/19/49/47/601194947.db2.gz PAXZFWIMLHGAIE-VIFPVBQESA-N 0 1 325.792 2.933 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)c1O ZINC000825946766 601194948 /nfs/dbraw/zinc/19/49/48/601194948.db2.gz PAXZFWIMLHGAIE-VIFPVBQESA-N 0 1 325.792 2.933 20 10 EFCDMN CC[N@H+]1CCC[C@H]1CN(C)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000325700878 601201738 /nfs/dbraw/zinc/20/17/38/601201738.db2.gz UWPNYUURCHTYTP-KGXGESDWSA-N 0 1 333.388 2.613 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])c1O ZINC000825946516 601545682 /nfs/dbraw/zinc/54/56/82/601545682.db2.gz BZHFRRCQWKGXQC-QGZVFWFLSA-N 0 1 343.354 2.918 20 10 EFCDMN C[N@H+]1CCC[C@@H]2CN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])CC[C@H]21 ZINC000327427688 604276233 /nfs/dbraw/zinc/27/62/33/604276233.db2.gz DBDMFPLOJGRTIQ-IPKOWEFYSA-N 0 1 345.399 2.613 20 10 EFCDMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000829475917 604476309 /nfs/dbraw/zinc/47/63/09/604476309.db2.gz YGTVMPBPWCNEEK-UHFFFAOYSA-N 0 1 335.404 2.882 20 10 EFCDMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000833553642 604675076 /nfs/dbraw/zinc/67/50/76/604675076.db2.gz GQBQSMKRNWRXKG-SFHVURJKSA-N 0 1 347.415 2.882 20 10 EFCDMN O=C([O-])CCC[N@@H+](Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000833226757 604765706 /nfs/dbraw/zinc/76/57/06/604765706.db2.gz DRYSRMPNWGHNMT-UHFFFAOYSA-N 0 1 343.379 2.988 20 10 EFCDMN COc1cc(O)c(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1OC ZINC000833729766 604866228 /nfs/dbraw/zinc/86/62/28/604866228.db2.gz YUYLASOANJMCDY-ZDUSSCGKSA-N 0 1 337.416 2.732 20 10 EFCDMN COC(=O)c1cc2ccccc2c(C[N@H+]2CCC[C@@H]2CC(=O)[O-])c1O ZINC000831354365 604982278 /nfs/dbraw/zinc/98/22/78/604982278.db2.gz ZGHGTPZIRHGQMW-CYBMUJFWSA-N 0 1 343.379 2.771 20 10 EFCDMN CC[N@H+]1C[C@H](C)N(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000833659153 605119640 /nfs/dbraw/zinc/11/96/40/605119640.db2.gz YITUFQWNKMEGJI-KELULYIISA-N 0 1 333.388 2.612 20 10 EFCDMN CCOc1ccc(O)c(C[N@@H+](CCc2ccccc2)CC(=O)[O-])c1 ZINC000833663127 605236552 /nfs/dbraw/zinc/23/65/52/605236552.db2.gz PVIPCLNXBGRPAI-UHFFFAOYSA-N 0 1 329.396 2.920 20 10 EFCDMN CCCn1nccc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850406748 1250469633 /nfs/dbraw/zinc/46/96/33/1250469633.db2.gz RWYJXGOHLCATHV-UHFFFAOYSA-N 0 1 328.460 2.544 20 10 EFCDMN C[C@@](O)(C[NH2+]Cc1c([O-])cccc1Br)C(F)(F)F ZINC000706881459 1251264604 /nfs/dbraw/zinc/26/46/04/1251264604.db2.gz SPFIMPIJAGQYPU-SNVBAGLBSA-N 0 1 328.128 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FTAUKBGPLSQWDY-JTQLQIEISA-N 0 1 333.306 2.676 20 10 EFCDMN O=C1CC[C@@]2(CCCN(Cc3c(O)cccc3OC(F)(F)F)C2)O1 ZINC001237113664 1313588358 /nfs/dbraw/zinc/58/83/58/1313588358.db2.gz AHRQGYSIMDJXHB-OAHLLOKOSA-N 0 1 345.317 2.962 20 10 EFCDMN COC(=O)[C@H]1C[C@@H](C)CN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237122173 1313590525 /nfs/dbraw/zinc/59/05/25/1313590525.db2.gz FEQAZELAVNAARQ-MNOVXSKESA-N 0 1 347.333 2.922 20 10 EFCDMN Oc1ccc(C(F)(F)F)cc1CN1CCC[C@H](n2ccnn2)C1 ZINC001237142296 1313592697 /nfs/dbraw/zinc/59/26/97/1313592697.db2.gz GMIJMLXTYATEOM-ZDUSSCGKSA-N 0 1 326.322 2.840 20 10 EFCDMN COc1ccc(N(C)CCN(C)[C@@H]2C[C@H]3CCCC[C@H]3NC2=O)cc1 ZINC000852212127 1299598583 /nfs/dbraw/zinc/59/85/83/1299598583.db2.gz UYHZGJIXRQEETL-ATZDWAIDSA-N 0 1 345.487 2.511 20 10 EFCDMN COc1ccc(N(C)CCN(C)[C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)cc1 ZINC000852212129 1299599087 /nfs/dbraw/zinc/59/90/87/1299599087.db2.gz UYHZGJIXRQEETL-KFKAGJAMSA-N 0 1 345.487 2.511 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](CCOCCO)C2CCC2)c1O 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ANVZVLFGSBKUBD-FQEVSTJZSA-N 0 1 337.423 2.725 20 10 EFCDMN CCc1nc(S(=O)(=O)Nc2ccc(O)cc2F)cn1CC1CC1 ZINC000853026991 1299976527 /nfs/dbraw/zinc/97/65/27/1299976527.db2.gz JRRZBIRDBNABIZ-UHFFFAOYSA-N 0 1 339.392 2.501 20 10 EFCDMN C[C@H](C(=O)NC(=O)Nc1ccccc1F)N(C)Cc1ccccc1O ZINC000111235279 1300080261 /nfs/dbraw/zinc/08/02/61/1300080261.db2.gz STWONFFFEXTHLZ-GFCCVEGCSA-N 0 1 345.374 2.700 20 10 EFCDMN CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000853585832 1300179525 /nfs/dbraw/zinc/17/95/25/1300179525.db2.gz UQFNPPQEJNECFU-QFBILLFUSA-N 0 1 340.423 2.529 20 10 EFCDMN C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000853630419 1300200295 /nfs/dbraw/zinc/20/02/95/1300200295.db2.gz FYZUVPCPFSHBLU-SJKOYZFVSA-N 0 1 327.380 2.774 20 10 EFCDMN C[C@@H]1c2ccccc2OCCN1Cc1cc2c(cc1O)OC[C@H]2O ZINC000853630419 1300200307 /nfs/dbraw/zinc/20/03/07/1300200307.db2.gz FYZUVPCPFSHBLU-SJKOYZFVSA-N 0 1 327.380 2.774 20 10 EFCDMN COc1cc(CN2CCN(C)C[C@@H]2c2ccccc2)c(O)c(OC)c1 ZINC001237674928 1313689126 /nfs/dbraw/zinc/68/91/26/1313689126.db2.gz NLMHUGWMQDCXTA-GOSISDBHSA-N 0 1 342.439 2.898 20 10 EFCDMN C[C@H](NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000854232135 1300480410 /nfs/dbraw/zinc/48/04/10/1300480410.db2.gz MVRPUMWBOMVFCZ-ZETCQYMHSA-N 0 1 343.214 2.504 20 10 EFCDMN COc1c(O)c(C[NH2+]C[C@H](CC(=O)[O-])CC(C)C)ccc1[N+](=O)[O-] ZINC000854243897 1300483156 /nfs/dbraw/zinc/48/31/56/1300483156.db2.gz GWXAHWXBRNOZMA-NSHDSACASA-N 0 1 340.376 2.536 20 10 EFCDMN C[N@@H+](Cc1ccno1)Cc1cccc(I)c1[O-] ZINC001237784207 1313705839 /nfs/dbraw/zinc/70/58/39/1313705839.db2.gz SLAKASWKLRKEOI-UHFFFAOYSA-N 0 1 344.152 2.617 20 10 EFCDMN [O-]c1c(I)cccc1C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001237784218 1313705851 /nfs/dbraw/zinc/70/58/51/1313705851.db2.gz SNRBUORUNAXMLK-RTCCRHLQSA-N 0 1 347.171 2.644 20 10 EFCDMN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)c(F)c1 ZINC000776748547 1300611865 /nfs/dbraw/zinc/61/18/65/1300611865.db2.gz ORBAFUUCQHMGAL-UHFFFAOYSA-N 0 1 338.360 2.599 20 10 EFCDMN Cc1ccnc(O[C@H]2CC[N@@H+](Cc3cc(F)cc(Cl)c3[O-])C2)n1 ZINC001237803293 1313709067 /nfs/dbraw/zinc/70/90/67/1313709067.db2.gz SCBGCSJTQSOXAJ-ZDUSSCGKSA-N 0 1 337.782 2.936 20 10 EFCDMN CC(C)NC(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237801999 1313709342 /nfs/dbraw/zinc/70/93/42/1313709342.db2.gz KDRRAUXSLUTJOI-ZDUSSCGKSA-N 0 1 343.830 2.857 20 10 EFCDMN CC(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(F)c1[O-] ZINC001276539456 1313710368 /nfs/dbraw/zinc/71/03/68/1313710368.db2.gz SPUKOEKZGOCNTH-GOOCMWNKSA-N 0 1 335.423 2.734 20 10 EFCDMN COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000776866760 1301204017 /nfs/dbraw/zinc/20/40/17/1301204017.db2.gz IVBWBNVSDXQTQY-DJSGYFEHSA-N 0 1 329.824 2.517 20 10 EFCDMN Cc1cc(F)cc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC001238066673 1313755190 /nfs/dbraw/zinc/75/51/90/1313755190.db2.gz IQIGIDSNFVAGBW-UKRRQHHQSA-N 0 1 336.407 2.891 20 10 EFCDMN O=C([O-])c1cc(F)ccc1C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001238238218 1313788891 /nfs/dbraw/zinc/78/88/91/1313788891.db2.gz KJVVSRQGOVVUDE-UHFFFAOYSA-N 0 1 331.343 2.884 20 10 EFCDMN CC(C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001018325221 1313814414 /nfs/dbraw/zinc/81/44/14/1313814414.db2.gz PGRPSRLBQNSTAE-GASCZTMLSA-N 0 1 329.404 2.546 20 10 EFCDMN CN(C)c1cc(F)c(CN2CCC[C@H](CCC(N)=O)C2)cc1F ZINC000862235938 1302318102 /nfs/dbraw/zinc/31/81/02/1302318102.db2.gz LNRQVXMSNJFCMP-GFCCVEGCSA-N 0 1 325.403 2.508 20 10 EFCDMN COC(=O)[C@H]1CC[N@H+](Cc2c([O-])cccc2Br)[C@H]1C ZINC000862338289 1302335595 /nfs/dbraw/zinc/33/55/95/1302335595.db2.gz OLFKCJGCFRFDDP-UWVGGRQHSA-N 0 1 328.206 2.538 20 10 EFCDMN COC(=O)[C@H]1CC[N@@H+](Cc2c([O-])cccc2Br)[C@H]1C ZINC000862338289 1302335611 /nfs/dbraw/zinc/33/56/11/1302335611.db2.gz OLFKCJGCFRFDDP-UWVGGRQHSA-N 0 1 328.206 2.538 20 10 EFCDMN COc1cc(Br)cc(C[N@H+](C)CC2(C)COC2)c1[O-] ZINC000862477401 1302394014 /nfs/dbraw/zinc/39/40/14/1302394014.db2.gz LNCZQTJXRCDFLD-UHFFFAOYSA-N 0 1 330.222 2.632 20 10 EFCDMN COc1cc(Br)cc(C[N@@H+](C)CC2(C)COC2)c1[O-] ZINC000862477401 1302394024 /nfs/dbraw/zinc/39/40/24/1302394024.db2.gz LNCZQTJXRCDFLD-UHFFFAOYSA-N 0 1 330.222 2.632 20 10 EFCDMN O=C([C@H]1CC12CN(Cc1cc(F)ccc1O)C2)N1CCCC12CC2 ZINC001278255062 1313844863 /nfs/dbraw/zinc/84/48/63/1313844863.db2.gz NFKZMKZQXAHQFR-OAHLLOKOSA-N 0 1 330.403 2.508 20 10 EFCDMN C[N@@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])CC1(C)COC1 ZINC000863299127 1302579773 /nfs/dbraw/zinc/57/97/73/1302579773.db2.gz VFCKPVFTSYMIRB-UHFFFAOYSA-N 0 1 341.407 2.797 20 10 EFCDMN CN(c1ccc(CNC(=O)CCc2c[nH]nn2)cc1)C1CCCCC1 ZINC000865028249 1303126406 /nfs/dbraw/zinc/12/64/06/1303126406.db2.gz KRRZNXYMLONRQB-UHFFFAOYSA-N 0 1 341.459 2.823 20 10 EFCDMN CN(c1ccc(CNC(=O)CCc2cnn[nH]2)cc1)C1CCCCC1 ZINC000865028249 1303126414 /nfs/dbraw/zinc/12/64/14/1303126414.db2.gz KRRZNXYMLONRQB-UHFFFAOYSA-N 0 1 341.459 2.823 20 10 EFCDMN Cc1cc(CNC(=O)CCc2c[nH]nn2)c(C)n1-c1cccc(C)c1 ZINC000869457485 1304789795 /nfs/dbraw/zinc/78/97/95/1304789795.db2.gz USZOSICDSSYOOK-UHFFFAOYSA-N 0 1 337.427 2.770 20 10 EFCDMN Cc1cc(CNC(=O)CCc2cnn[nH]2)c(C)n1-c1cccc(C)c1 ZINC000869457485 1304789803 /nfs/dbraw/zinc/78/98/03/1304789803.db2.gz USZOSICDSSYOOK-UHFFFAOYSA-N 0 1 337.427 2.770 20 10 EFCDMN CC(C)CCN1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001044354444 1306450173 /nfs/dbraw/zinc/45/01/73/1306450173.db2.gz FRVPKLOAWKPMBH-UHFFFAOYSA-N 0 1 331.420 2.651 20 10 EFCDMN COc1cc(O)ccc1NS(=O)(=O)C[C@H](OC)c1ccccc1 ZINC000901705005 1310910488 /nfs/dbraw/zinc/91/04/88/1310910488.db2.gz YKNFJNUBFHNCFV-INIZCTEOSA-N 0 1 337.397 2.530 20 10 EFCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001276826842 1311070640 /nfs/dbraw/zinc/07/06/40/1311070640.db2.gz ZGOZMWKQIWYSBM-HXUWFJFHSA-N 0 1 342.439 2.725 20 10 EFCDMN Cc1cc(NS(=O)(=O)c2cc(C3CC3)nn2C)c(C)c(C)c1O ZINC000901917982 1311193424 /nfs/dbraw/zinc/19/34/24/1311193424.db2.gz ZDHNLSRPAKMPQI-UHFFFAOYSA-N 0 1 335.429 2.729 20 10 EFCDMN CCOc1ccc(N2CC3(C2)CCN(Cc2cc(C)nn2C)C3)cc1 ZINC001276926600 1311312308 /nfs/dbraw/zinc/31/23/08/1311312308.db2.gz VTAABTBBPXCBEP-UHFFFAOYSA-N 0 1 340.471 2.840 20 10 EFCDMN COc1ccc(N2CCC3(CN(Cc4cn[nH]c4)C3)CC2)c(OC)c1 ZINC001276994334 1311430628 /nfs/dbraw/zinc/43/06/28/1311430628.db2.gz LVBFUEPSBOYMIQ-UHFFFAOYSA-N 0 1 342.443 2.529 20 10 EFCDMN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCc2nc[nH]n2)c1 ZINC001159160438 1311463502 /nfs/dbraw/zinc/46/35/02/1311463502.db2.gz KIKBQAPQPBXMLX-UHFFFAOYSA-N 0 1 343.818 2.838 20 10 EFCDMN O=C(NCCC[NH2+]Cc1c([O-])cccc1Cl)c1cccc(O)c1 ZINC000113332573 1311728854 /nfs/dbraw/zinc/72/88/54/1311728854.db2.gz LJXVXZYGKNMHIH-UHFFFAOYSA-N 0 1 334.803 2.661 20 10 EFCDMN CCOC(=O)c1sc(C(=O)OCC)c(OCCOC(C)C)c1O ZINC001227494148 1311812492 /nfs/dbraw/zinc/81/24/92/1311812492.db2.gz QXKFMIMDSAZBDC-UHFFFAOYSA-N 0 1 346.401 2.611 20 10 EFCDMN CCOC(=O)c1sc(C(=O)OCC)c(O[C@H](C)C2CC2)c1O ZINC001227494167 1311812643 /nfs/dbraw/zinc/81/26/43/1311812643.db2.gz RJMMKYABUSYWLC-MRVPVSSYSA-N 0 1 328.386 2.984 20 10 EFCDMN COC(=O)c1sc(C(=O)OC)c(OC(C2CC2)C2CC2)c1O ZINC001227620435 1311832029 /nfs/dbraw/zinc/83/20/29/1311832029.db2.gz HBXLOABISGPDAJ-UHFFFAOYSA-N 0 1 326.370 2.594 20 10 EFCDMN COC(=O)c1sc(C(=O)OC)c(O[C@@H]2C[C@H]3CC[C@@H]2C3)c1O ZINC001227620897 1311832274 /nfs/dbraw/zinc/83/22/74/1311832274.db2.gz WPPUXNSIBJTIOP-DJLDLDEBSA-N 0 1 326.370 2.594 20 10 EFCDMN COC(=O)c1sc(C(=O)OC)c(O[C@H](C)c2nccs2)c1O ZINC001227623392 1311832721 /nfs/dbraw/zinc/83/27/21/1311832721.db2.gz SAYZRXZHFFXHOE-ZCFIWIBFSA-N 0 1 343.382 2.623 20 10 EFCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(N)CCc2ccccc21 ZINC001161134840 1311867159 /nfs/dbraw/zinc/86/71/59/1311867159.db2.gz PTEXRLVYMVNVID-OAQYLSRUSA-N 0 1 337.467 2.902 20 10 EFCDMN CCOc1ccc(CN(CCNC(C)=O)Cc2ccsc2)c(O)c1 ZINC000802652300 1311886666 /nfs/dbraw/zinc/88/66/66/1311886666.db2.gz CORODFCDNANQHZ-UHFFFAOYSA-N 0 1 348.468 2.991 20 10 EFCDMN COc1ccc(O)c(CN(CCNC(C)=O)Cc2ccc(C)s2)c1 ZINC000802652947 1311888490 /nfs/dbraw/zinc/88/84/90/1311888490.db2.gz MLYSYKJRKQKWFQ-UHFFFAOYSA-N 0 1 348.468 2.909 20 10 EFCDMN CCC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CC(=O)N(C)C1=O ZINC000802657099 1311892337 /nfs/dbraw/zinc/89/23/37/1311892337.db2.gz ZSPPPRJGKJEVGR-GFCCVEGCSA-N 0 1 345.226 2.668 20 10 EFCDMN OC[C@]1(F)CCN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000802660908 1311895577 /nfs/dbraw/zinc/89/55/77/1311895577.db2.gz ZHGPEPHMXULKEQ-IBGZPJMESA-N 0 1 331.387 2.878 20 10 EFCDMN OC[C@@]1(F)CCN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000802660909 1311895914 /nfs/dbraw/zinc/89/59/14/1311895914.db2.gz ZHGPEPHMXULKEQ-LJQANCHMSA-N 0 1 331.387 2.878 20 10 EFCDMN CC[C@@H](COC)Oc1cc(O)cc(O)c1C(=O)c1ccc(O)c(O)c1 ZINC001228520093 1311960186 /nfs/dbraw/zinc/96/01/86/1311960186.db2.gz VIJCUSIXZQDXOW-LBPRGKRZSA-N 0 1 348.351 2.544 20 10 EFCDMN O=C1c2ccc(O[C@H]3CCOC[C@H]3F)cc2C(=O)c2ccc(O)cc21 ZINC001229190215 1312059248 /nfs/dbraw/zinc/05/92/48/1312059248.db2.gz JOPGUYPJFXJOPP-SJORKVTESA-N 0 1 342.322 2.673 20 10 EFCDMN CC[C@H](COC)Oc1ccc2c(c1)C(=O)c1ccc(O)cc1C2=O ZINC001229192760 1312060066 /nfs/dbraw/zinc/06/00/66/1312060066.db2.gz STEJTDWBCFIIOK-GFCCVEGCSA-N 0 1 326.348 2.971 20 10 EFCDMN Cc1cc(O[C@H](C)CN(C)C)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001229540129 1312111344 /nfs/dbraw/zinc/11/13/44/1312111344.db2.gz BWPGBUHFJRFDJG-GFCCVEGCSA-N 0 1 339.391 2.805 20 10 EFCDMN NC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001277446777 1312194946 /nfs/dbraw/zinc/19/49/46/1312194946.db2.gz XFVKMLQHXIUADG-YFKFIEJBSA-N 0 1 329.227 2.642 20 10 EFCDMN O=C([C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1cc(Cl)ccc1[O-])C2)N1CC=CC1 ZINC001277456557 1312253721 /nfs/dbraw/zinc/25/37/21/1312253721.db2.gz AXPJHQUVIOCFRC-ZSBFGKGUSA-N 0 1 346.858 2.902 20 10 EFCDMN O=C([C@H]1[C@H]2CC[C@@H]1C[N@@H+](Cc1cc(Cl)ccc1[O-])C2)N1CC=CC1 ZINC001277456557 1312253725 /nfs/dbraw/zinc/25/37/25/1312253725.db2.gz AXPJHQUVIOCFRC-ZSBFGKGUSA-N 0 1 346.858 2.902 20 10 EFCDMN Cc1ncsc1CN1CC2(C1)CN(Cc1cc(F)cc(C)c1O)C2 ZINC001277518994 1312498868 /nfs/dbraw/zinc/49/88/68/1312498868.db2.gz HVFZZGWQYZHTJI-UHFFFAOYSA-N 0 1 347.459 2.922 20 10 EFCDMN COc1ccc(CC[N@@H+](C)Cc2ccc(C(=O)[O-])cc2O)cc1OC ZINC001231447042 1312499200 /nfs/dbraw/zinc/49/92/00/1312499200.db2.gz NSOTUVDQLLLURO-UHFFFAOYSA-N 0 1 345.395 2.782 20 10 EFCDMN O=C([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)c(O)c1 ZINC001231452329 1312500585 /nfs/dbraw/zinc/50/05/85/1312500585.db2.gz LRWRRPCEAQCUTN-ROUUACIJSA-N 0 1 338.407 2.549 20 10 EFCDMN O=C([O-])c1ccc(CN2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)c(O)c1 ZINC001231452329 1312500589 /nfs/dbraw/zinc/50/05/89/1312500589.db2.gz LRWRRPCEAQCUTN-ROUUACIJSA-N 0 1 338.407 2.549 20 10 EFCDMN O=C([O-])c1ccc(CN2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)c(O)c1 ZINC001231452329 1312500593 /nfs/dbraw/zinc/50/05/93/1312500593.db2.gz LRWRRPCEAQCUTN-ROUUACIJSA-N 0 1 338.407 2.549 20 10 EFCDMN CC(C)c1noc([C@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3O)C2)n1 ZINC001231454650 1312500867 /nfs/dbraw/zinc/50/08/67/1312500867.db2.gz HJQFPPVGIPGAHT-AWEZNQCLSA-N 0 1 345.399 2.976 20 10 EFCDMN Cc1cccnc1O[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231453577 1312501464 /nfs/dbraw/zinc/50/14/64/1312501464.db2.gz MMOSBBHONIDMRZ-MRXNPFEDSA-N 0 1 342.395 2.837 20 10 EFCDMN Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3O)C2)n1 ZINC001231452907 1312501638 /nfs/dbraw/zinc/50/16/38/1312501638.db2.gz HOHLLJGZWLSNHE-INIZCTEOSA-N 0 1 342.395 2.837 20 10 EFCDMN C[C@@]1(O)COCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001231468603 1312506148 /nfs/dbraw/zinc/50/61/48/1312506148.db2.gz ZONNXEYGRUQVTJ-FQEVSTJZSA-N 0 1 343.423 2.554 20 10 EFCDMN COc1ccc(Br)c(CN2CC[C@H](O)C[C@H]2C)c1O ZINC001231553744 1312524497 /nfs/dbraw/zinc/52/44/97/1312524497.db2.gz BUTJCSMYIFAWBL-ZJUUUORDSA-N 0 1 330.222 2.509 20 10 EFCDMN O=C([O-])c1ccc(O)c(C[NH+]2CCN(CCc3cccs3)CC2)c1 ZINC001231563707 1312525479 /nfs/dbraw/zinc/52/54/79/1312525479.db2.gz KKVUOIUSUYQZAV-UHFFFAOYSA-N 0 1 346.452 2.512 20 10 EFCDMN C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2O)CCC[C@@]1(O)C(F)(F)F ZINC001231561529 1312525786 /nfs/dbraw/zinc/52/57/86/1312525786.db2.gz WCJUUKKYCVYOFB-BONVTDFDSA-N 0 1 347.333 2.616 20 10 EFCDMN Cc1ccc(C[NH+]2CCN(Cc3cc(C(=O)[O-])ccc3O)CC2)cc1 ZINC001231564207 1312526443 /nfs/dbraw/zinc/52/64/43/1312526443.db2.gz PNFTWZKBDUPTDH-UHFFFAOYSA-N 0 1 340.423 2.717 20 10 EFCDMN COc1cc(CN2CCC([C@@](C)(O)C(F)(F)F)CC2)c(O)cc1O ZINC001231637772 1312536768 /nfs/dbraw/zinc/53/67/68/1312536768.db2.gz ROVSLENXGQOENK-OAHLLOKOSA-N 0 1 349.349 2.632 20 10 EFCDMN CCOc1ccc(N2CCN(Cc3nc(C)ccc3O)CC2)cc1 ZINC001231674655 1312548167 /nfs/dbraw/zinc/54/81/67/1312548167.db2.gz BOUOQNVWFUKNLY-UHFFFAOYSA-N 0 1 327.428 2.817 20 10 EFCDMN Cc1ccc(CN2CC[C@@H]3C[C@@]32C(=O)N2CC(F)(C3CC3)C2)c(O)c1 ZINC001277568660 1312568306 /nfs/dbraw/zinc/56/83/06/1312568306.db2.gz UGLRAQCOZQHOCT-UZLBHIALSA-N 0 1 344.430 2.626 20 10 EFCDMN CCn1cc2c(n1)CN(Cc1c(C)cc(C)cc1O)C[C@@H]2COC ZINC001231843771 1312572967 /nfs/dbraw/zinc/57/29/67/1312572967.db2.gz GEYJFVLVCHIJJW-OAHLLOKOSA-N 0 1 329.444 2.971 20 10 EFCDMN Cc1cc(C)c(CN2CCc3onc(Cn4ccnc4)c3C2)c(O)c1 ZINC001231844746 1312573219 /nfs/dbraw/zinc/57/32/19/1312573219.db2.gz OYPANTPFTQZHBB-UHFFFAOYSA-N 0 1 338.411 2.800 20 10 EFCDMN Cc1cc(C)c(CN2CCN(C(=O)c3ccc(O)cc3)CC2)c(O)c1 ZINC001231851093 1312574138 /nfs/dbraw/zinc/57/41/38/1312574138.db2.gz ZWEMASBESQLHNE-UHFFFAOYSA-N 0 1 340.423 2.673 20 10 EFCDMN COc1cc(N(C)C)ccc1CN1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001231855064 1312576161 /nfs/dbraw/zinc/57/61/61/1312576161.db2.gz PZDCJSUZRBUDLR-INIZCTEOSA-N 0 1 326.387 2.761 20 10 EFCDMN CCOC(=O)c1ncn2c1CN(Cc1cccc(Cl)c1O)CCC2 ZINC001231909415 1312585785 /nfs/dbraw/zinc/58/57/85/1312585785.db2.gz MUXMOBJKNYGQIZ-UHFFFAOYSA-N 0 1 349.818 2.825 20 10 EFCDMN CCOC(=O)c1cc2n(n1)CCCN(Cc1cccc(Cl)c1O)C2 ZINC001231910350 1312586489 /nfs/dbraw/zinc/58/64/89/1312586489.db2.gz MFHHJEMMMQMFTI-UHFFFAOYSA-N 0 1 349.818 2.825 20 10 EFCDMN CCOC(=O)c1nc2c(o1)CCN(Cc1cccc(Cl)c1O)C2 ZINC001231912703 1312587511 /nfs/dbraw/zinc/58/75/11/1312587511.db2.gz SUGGTCSBQFUFMB-UHFFFAOYSA-N 0 1 336.775 2.769 20 10 EFCDMN Clc1cc(CN2CC[C@]3(CCCO3)C2)ccc1N1CCOCC1 ZINC001232195194 1312646166 /nfs/dbraw/zinc/64/61/66/1312646166.db2.gz RMFXUXBIGNHWBT-GOSISDBHSA-N 0 1 336.863 2.932 20 10 EFCDMN Clc1cc(CN2CC[C@@H]3CCO[C@H]3C2)ccc1N1CCOCC1 ZINC001232195365 1312646314 /nfs/dbraw/zinc/64/63/14/1312646314.db2.gz STTIFXHQXUEURZ-QAPCUYQASA-N 0 1 336.863 2.787 20 10 EFCDMN CCN1CC2(CC1=O)CC[NH+](Cc1cc(Cl)c([O-])cc1O)CC2 ZINC001232264411 1312662295 /nfs/dbraw/zinc/66/22/95/1312662295.db2.gz HCPLKCUDOGERTO-UHFFFAOYSA-N 0 1 338.835 2.586 20 10 EFCDMN COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(Cl)c(OC)cc1[O-])C2 ZINC001232268086 1312662632 /nfs/dbraw/zinc/66/26/32/1312662632.db2.gz LWLHRVIPSXGIGS-LOWVWBTDSA-N 0 1 339.819 2.828 20 10 EFCDMN COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(Cl)c(OC)cc1[O-])C2 ZINC001232268086 1312662634 /nfs/dbraw/zinc/66/26/34/1312662634.db2.gz LWLHRVIPSXGIGS-LOWVWBTDSA-N 0 1 339.819 2.828 20 10 EFCDMN COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232269449 1312662952 /nfs/dbraw/zinc/66/29/52/1312662952.db2.gz AVTLSMSAVPZDEG-PWSUYJOCSA-N 0 1 327.808 2.685 20 10 EFCDMN COC(=O)[C@H]1C[C@@H](C)C[N@@H+](Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232269449 1312662956 /nfs/dbraw/zinc/66/29/56/1312662956.db2.gz AVTLSMSAVPZDEG-PWSUYJOCSA-N 0 1 327.808 2.685 20 10 EFCDMN COc1cc([O-])c(C[NH+]2CCC3(CCNC(=O)O3)CC2)cc1Cl ZINC001232268428 1312662980 /nfs/dbraw/zinc/66/29/80/1312662980.db2.gz NRQHXSGPABESGX-UHFFFAOYSA-N 0 1 340.807 2.519 20 10 EFCDMN COc1cc(O)c(CN2CCC[C@@H](Oc3ncccn3)C2)cc1Cl ZINC001232270603 1312663818 /nfs/dbraw/zinc/66/38/18/1312663818.db2.gz HGXLPKSCWVFUIL-CYBMUJFWSA-N 0 1 349.818 2.888 20 10 EFCDMN Oc1c(CN2CC3(CCN3Cc3cn[nH]c3)C2)ccc2ccccc21 ZINC001276374031 1314584949 /nfs/dbraw/zinc/58/49/49/1314584949.db2.gz PLAYZIGQPQYVBW-UHFFFAOYSA-N 0 1 334.423 2.729 20 10 EFCDMN CC(C)(C)c1cc([O-])c(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)cc1Cl ZINC001248879769 1314990459 /nfs/dbraw/zinc/99/04/59/1314990459.db2.gz DBEQGABTOHSCTA-FUHWJXTLSA-N 0 1 341.879 2.908 20 10 EFCDMN CC(C)(C)c1cc([O-])c(C[N@H+]2CC[C@](C)(CO)[C@@H](O)C2)cc1Cl ZINC001248879769 1314990462 /nfs/dbraw/zinc/99/04/62/1314990462.db2.gz DBEQGABTOHSCTA-FUHWJXTLSA-N 0 1 341.879 2.908 20 10 EFCDMN COC(=O)Cc1ccc(CN(C)Cc2ccc(Cl)nc2)c(O)c1 ZINC001249207358 1315032527 /nfs/dbraw/zinc/03/25/27/1315032527.db2.gz DCOWYMAKZLXTPE-UHFFFAOYSA-N 0 1 334.803 2.788 20 10 EFCDMN CC1(C)C=Cc2c(O)c(CN3CCO[C@@H]4C[C@H](CO)C[C@H]43)ccc2O1 ZINC001249231021 1315036423 /nfs/dbraw/zinc/03/64/23/1315036423.db2.gz ZQXQJHPKNAFYQS-MZMPZRCHSA-N 0 1 345.439 2.548 20 10 EFCDMN Cc1cncc(-c2noc(-c3cc4cc(O)c(O)cc4oc3=O)n2)c1 ZINC001217553521 1315084368 /nfs/dbraw/zinc/08/43/68/1315084368.db2.gz BRYIRUORRJJBTB-UHFFFAOYSA-N 0 1 337.291 2.625 20 10 EFCDMN Cc1c([O-])cc2c(c1O[C@@H]1CCC[NH2+]C1)C(=O)c1ccccc1C2=O ZINC001217963090 1315125924 /nfs/dbraw/zinc/12/59/24/1315125924.db2.gz OEXXZPVUPNGJHJ-GFCCVEGCSA-N 0 1 337.375 2.607 20 10 EFCDMN Cc1c([O-])cc2c(c1O[C@H]1CCC13C[NH2+]C3)C(=O)c1ccccc1C2=O ZINC001218242779 1315170343 /nfs/dbraw/zinc/17/03/43/1315170343.db2.gz UPHFNPOSIRYKIE-INIZCTEOSA-N 0 1 349.386 2.607 20 10 EFCDMN Cc1c([O-])cc2c(c1O[C@@H]1CCC13C[NH2+]C3)C(=O)c1ccccc1C2=O ZINC001218242780 1315170680 /nfs/dbraw/zinc/17/06/80/1315170680.db2.gz UPHFNPOSIRYKIE-MRXNPFEDSA-N 0 1 349.386 2.607 20 10 EFCDMN CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C)c(Br)cc2O)C1 ZINC001250133999 1315177033 /nfs/dbraw/zinc/17/70/33/1315177033.db2.gz UPMAATKRYYODON-CYBMUJFWSA-N 0 1 341.249 2.516 20 10 EFCDMN CC(=O)N(C)[C@@H]1CCN(Cc2cc(C)c(Br)cc2O)C1 ZINC001250133999 1315177035 /nfs/dbraw/zinc/17/70/35/1315177035.db2.gz UPMAATKRYYODON-CYBMUJFWSA-N 0 1 341.249 2.516 20 10 EFCDMN C[C@H]1C[NH2+]CC[C@H]1Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001218421381 1315193613 /nfs/dbraw/zinc/19/36/13/1315193613.db2.gz WBQBNJIFQIOWTP-MEDUHNTESA-N 0 1 337.375 2.544 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[O-]c1c(Br)cc(Cl)cc1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000894532743 722774151 /nfs/dbraw/zinc/77/41/51/722774151.db2.gz FLSCKVAPNNAOFX-TVQRCGJNSA-N 0 1 332.625 2.622 20 10 EFCDMN NC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000895000966 723045717 /nfs/dbraw/zinc/04/57/17/723045717.db2.gz MXNJQPPJXZNRTL-SFHVURJKSA-N 0 1 348.805 2.814 20 10 EFCDMN NC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@H]1c1ccccc1 ZINC000895006817 723051694 /nfs/dbraw/zinc/05/16/94/723051694.db2.gz QVJNREBULZIKFV-LSDHHAIUSA-N 0 1 348.805 2.886 20 10 EFCDMN COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000896124972 723143047 /nfs/dbraw/zinc/14/30/47/723143047.db2.gz HBUSDENGMYCJMW-ZJUUUORDSA-N 0 1 328.206 2.586 20 10 EFCDMN CC[N@@H+](CCOC)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000728199508 723844926 /nfs/dbraw/zinc/84/49/26/723844926.db2.gz VUONWFNGNZXVIT-UHFFFAOYSA-N 0 1 329.396 2.797 20 10 EFCDMN Oc1c(F)cc(F)cc1CN1CCn2c(cnc2C(F)(F)F)C1 ZINC000896931574 723890686 /nfs/dbraw/zinc/89/06/86/723890686.db2.gz KSFVJPWBTFVWCW-UHFFFAOYSA-N 0 1 333.260 2.902 20 10 EFCDMN CCOC(=O)[C@@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000896957876 723913710 /nfs/dbraw/zinc/91/37/10/723913710.db2.gz DYCWNSVRIXKIFI-SNVBAGLBSA-N 0 1 328.206 2.540 20 10 EFCDMN CCOC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000896957876 723913712 /nfs/dbraw/zinc/91/37/12/723913712.db2.gz DYCWNSVRIXKIFI-SNVBAGLBSA-N 0 1 328.206 2.540 20 10 EFCDMN COc1cccc(OC)c1CNCc1ccc(OC)c(OC)c1O ZINC000895333943 724041178 /nfs/dbraw/zinc/04/11/78/724041178.db2.gz MATKKDFZTWSOTH-UHFFFAOYSA-N 0 1 333.384 2.716 20 10 EFCDMN c1ccc2nc(CNCc3ccc(N4CCOCC4)cc3)cnc2c1 ZINC000727644177 724283288 /nfs/dbraw/zinc/28/32/88/724283288.db2.gz QPPYIIFZSOKHDX-UHFFFAOYSA-N 0 1 334.423 2.756 20 10 EFCDMN COc1ccc(CN2CCN(c3cccc(F)c3)CC2)c(O)c1OC ZINC000895841503 724337930 /nfs/dbraw/zinc/33/79/30/724337930.db2.gz HHVGGQUXQJOBIQ-UHFFFAOYSA-N 0 1 346.402 2.871 20 10 EFCDMN C[C@H](NC(=O)[C@H]1CCN1C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000895895338 724372193 /nfs/dbraw/zinc/37/21/93/724372193.db2.gz UHMJZNYODAFHAT-MAUKXSAKSA-N 0 1 345.487 2.573 20 10 EFCDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@@H]1CCN1C ZINC000925400807 725936342 /nfs/dbraw/zinc/93/63/42/725936342.db2.gz WBVVWVKNEVGLDO-SFHVURJKSA-N 0 1 330.476 2.522 20 10 EFCDMN NC(=O)N=Nc1ccc(C(=O)N[C@]23CCC[C@@H]2N(CCF)CC3)cc1 ZINC000992547859 725956458 /nfs/dbraw/zinc/95/64/58/725956458.db2.gz LYEYWTXNIVUYQL-YOEHRIQHSA-N 0 1 347.394 2.545 20 10 EFCDMN CC(C)(C)NC(=O)NC(=O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000731846120 726941929 /nfs/dbraw/zinc/94/19/29/726941929.db2.gz SOABTTQIEUGSII-UHFFFAOYSA-N 0 1 347.459 2.761 20 10 EFCDMN O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1=CC(=O)CS1 ZINC000732286195 727016378 /nfs/dbraw/zinc/01/63/78/727016378.db2.gz BUSXSFKBHQMPNP-HNNXBMFYSA-N 0 1 330.453 2.748 20 10 EFCDMN O=C(NCC1(N2CCSCC2)CCCCC1)C1=CC(=O)CS1 ZINC000732678013 727181866 /nfs/dbraw/zinc/18/18/66/727181866.db2.gz LDGVDOXNJJHYOL-UHFFFAOYSA-N 0 1 340.514 2.935 20 10 EFCDMN Cc1[nH+]c(NCc2ccc(N3CCOCC3)c(F)c2)ccc1C(=O)[O-] ZINC000910287299 727427951 /nfs/dbraw/zinc/42/79/51/727427951.db2.gz JUQAHMLVWOKQAX-UHFFFAOYSA-N 0 1 345.374 2.676 20 10 EFCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CC[C@H](C)[C@H]2C)c1 ZINC000174950858 727443395 /nfs/dbraw/zinc/44/33/95/727443395.db2.gz WANPVSTVOVBUDA-LSDHHAIUSA-N 0 1 346.471 2.657 20 10 EFCDMN CCN(CC)[C@@H](C(=O)NCc1ccc(O)cc1O)c1ccccc1 ZINC000910954750 727472944 /nfs/dbraw/zinc/47/29/44/727472944.db2.gz MKBLQVLUGWQPHQ-GOSISDBHSA-N 0 1 328.412 2.797 20 10 EFCDMN Cc1cc(C(=O)N2CCN(C)C[C@@H]2C(C)C)c(C)n1-c1ccccn1 ZINC000151293891 727824356 /nfs/dbraw/zinc/82/43/56/727824356.db2.gz WHTCSFMKKRRPFD-GOSISDBHSA-N 0 1 340.471 2.901 20 10 EFCDMN CCCCN(Cc1cc(C)c(C)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000054847211 727882243 /nfs/dbraw/zinc/88/22/43/727882243.db2.gz OUDUNNSXACWSPL-MRXNPFEDSA-N 0 1 325.474 2.798 20 10 EFCDMN CCOc1cccc(N2CCN(Cc3cc(OC)ccc3O)CC2)n1 ZINC000179778600 729623492 /nfs/dbraw/zinc/62/34/92/729623492.db2.gz KNCYOLHJESBFES-UHFFFAOYSA-N 0 1 343.427 2.517 20 10 EFCDMN CN(C)[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1cccs1 ZINC000180596023 729761857 /nfs/dbraw/zinc/76/18/57/729761857.db2.gz BLSWDYJULYCGPE-STMXVASLSA-N 0 1 332.425 2.592 20 10 EFCDMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccc(Br)cc2O)C[C@H]1C1CC1 ZINC001602188710 971171402 /nfs/dbraw/zinc/17/14/02/971171402.db2.gz LUZOSEBNTVZMQE-QWHCGFSZSA-N 0 1 340.217 2.697 20 10 EFCDMN O=C([O-])C1CC2(C1)CC[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)O2 ZINC001594904779 954664229 /nfs/dbraw/zinc/66/42/29/954664229.db2.gz HEQJYAJWRATMEO-CSJGVYOVSA-N 0 1 343.782 2.687 20 10 EFCDMN COC1CCN(c2ccc(C[N@H+]3CCC[C@H](C(=O)[O-])C3)cc2)CC1 ZINC000846262147 955698825 /nfs/dbraw/zinc/69/88/25/955698825.db2.gz XUZNPGBHEUNINM-INIZCTEOSA-N 0 1 332.444 2.598 20 10 EFCDMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000923473276 957123272 /nfs/dbraw/zinc/12/32/72/957123272.db2.gz SLKIQFWHIYVNJT-LJQANCHMSA-N 0 1 332.444 2.600 20 10 EFCDMN Cc1cc(Br)cc(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])c1O ZINC001594272053 957683995 /nfs/dbraw/zinc/68/39/95/957683995.db2.gz OREQHEYCZOZXEA-AWEZNQCLSA-N 0 1 328.206 2.902 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)c1O ZINC000842935098 969233639 /nfs/dbraw/zinc/23/36/39/969233639.db2.gz INJDSMIYTRONBH-KOLCDFICSA-N 0 1 325.792 2.933 20 10 EFCDMN COC1CCN(c2ccc(C[N@@H+](CC(=O)[O-])C3CCC3)cc2)CC1 ZINC000851706815 969287741 /nfs/dbraw/zinc/28/77/41/969287741.db2.gz INOCQOQCBYTTTF-UHFFFAOYSA-N 0 1 332.444 2.741 20 10 EFCDMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000901996182 969504369 /nfs/dbraw/zinc/50/43/69/969504369.db2.gz GWJUVNYNGJLIDZ-KRWDZBQOSA-N 0 1 332.444 2.743 20 10 EFCDMN C[C@](CCF)([NH2+]Cc1cc(Br)cc(F)c1O)C(=O)[O-] ZINC001592507390 978325360 /nfs/dbraw/zinc/32/53/60/978325360.db2.gz RGUUCKKFUWASNY-GFCCVEGCSA-N 0 1 338.148 2.586 20 10 EFCDMN Cc1cc(C[N@H+]2CCO[C@@H](CC(=O)[O-])C2)ccc1N1CCCCC1 ZINC000846273217 979438014 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2.699 20 10 EFCDMN COc1ccc(O)c(C[N@H+]2CC[C@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC001599598487 993780884 /nfs/dbraw/zinc/78/08/84/993780884.db2.gz NVWFTTLKFAABLP-LJQANCHMSA-N 0 1 327.380 2.629 20 10 EFCDMN COC(=O)[C@@H](CCC(=O)[O-])[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC001598696769 995151586 /nfs/dbraw/zinc/15/15/86/995151586.db2.gz LCTWJDVZOGEQFD-QGZVFWFLSA-N 0 1 348.443 2.515 20 10 EFCDMN COC(=O)[C@@H](CCC(=O)[O-])[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC001598696769 995151592 /nfs/dbraw/zinc/15/15/92/995151592.db2.gz LCTWJDVZOGEQFD-QGZVFWFLSA-N 0 1 348.443 2.515 20 10 EFCDMN COC(=O)[C@H](CCC(=O)[O-])[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC001598696768 995151791 /nfs/dbraw/zinc/15/17/91/995151791.db2.gz LCTWJDVZOGEQFD-KRWDZBQOSA-N 0 1 348.443 2.515 20 10 EFCDMN COC(=O)[C@H](CCC(=O)[O-])[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC001598696768 995151797 /nfs/dbraw/zinc/15/17/97/995151797.db2.gz LCTWJDVZOGEQFD-KRWDZBQOSA-N 0 1 348.443 2.515 20 10 EFCDMN C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC001593451086 995349251 /nfs/dbraw/zinc/34/92/51/995349251.db2.gz SFWOALVGBHJPPM-OCCSQVGLSA-N 0 1 329.396 2.979 20 10 EFCDMN C[C@]1(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)CCCCO1 ZINC001594010067 997441934 /nfs/dbraw/zinc/44/19/34/997441934.db2.gz IURQOFFJPYOCQB-MRXNPFEDSA-N 0 1 327.808 2.891 20 10 EFCDMN COC1CCN(c2ccc(C[N@H+]3C[C@H](C)[C@@](C)(C(=O)[O-])C3)cc2)CC1 ZINC001599126504 997861503 /nfs/dbraw/zinc/86/15/03/997861503.db2.gz ITLVXICPUXUQKV-YWZLYKJASA-N 0 1 346.471 2.844 20 10 EFCDMN COc1cc(O)c(C[N@H+]2CCc3cccc(C(=O)[O-])c3C2)cc1OC ZINC001599445966 998010105 /nfs/dbraw/zinc/01/01/05/998010105.db2.gz LESOORHUQWHKFG-UHFFFAOYSA-N 0 1 343.379 2.666 20 10 EFCDMN COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2CC(=O)[O-])c1 ZINC001598985033 998691568 /nfs/dbraw/zinc/69/15/68/998691568.db2.gz ZRCUMGBMNFWFEN-LBPRGKRZSA-N 0 1 343.379 2.657 20 10 EFCDMN CCN(Cc1c[nH]nn1)C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001576543203 1089319534 /nfs/dbraw/zinc/31/95/34/1089319534.db2.gz DFYCQUILNGEEAP-UHFFFAOYSA-N 0 1 337.427 2.803 20 10 EFCDMN COc1cccc(C[C@@H](N)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC001579273462 1090573405 /nfs/dbraw/zinc/57/34/05/1090573405.db2.gz UPIHSCUAAWOGIE-IFXJQAMLSA-N 0 1 341.455 2.508 20 10 EFCDMN [NH3+][C@@H](C(=O)NCc1cccc(Br)c1[O-])C1CCCCC1 ZINC001580113368 1090775811 /nfs/dbraw/zinc/77/58/11/1090775811.db2.gz HGDHDSIUKVOVJC-CYBMUJFWSA-N 0 1 341.249 2.679 20 10 EFCDMN O=C(NCc1cccc(Cl)c1[O-])Nc1ccc2c(c1)OCC[NH2+]C2 ZINC001580719057 1090992420 /nfs/dbraw/zinc/99/24/20/1090992420.db2.gz YQLYAQFRDWBILX-UHFFFAOYSA-N 0 1 347.802 2.849 20 10 EFCDMN CC(C)[C@H](N[C@H](C)c1cccc(-c2nn[nH]n2)c1O)C(F)(F)F ZINC001589973062 1093205357 /nfs/dbraw/zinc/20/53/57/1093205357.db2.gz AWVDYHBEYDIBMS-PELKAZGASA-N 0 1 329.326 2.810 20 10 EFCDMN C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(Cl)cc1[O-] ZINC001591136160 1093667998 /nfs/dbraw/zinc/66/79/98/1093667998.db2.gz JDLGQTCKALGYCP-UHFFFAOYSA-N 0 1 329.791 2.858 20 10 EFCDMN C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(Cl)cc1[O-] ZINC001591136160 1093668002 /nfs/dbraw/zinc/66/80/02/1093668002.db2.gz JDLGQTCKALGYCP-UHFFFAOYSA-N 0 1 329.791 2.858 20 10 EFCDMN Cc1cc(NCc2ccc(N3CCCCC3)cc2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592052711 1093968305 /nfs/dbraw/zinc/96/83/05/1093968305.db2.gz UZULCZHSEBKIGD-UHFFFAOYSA-N 0 1 349.442 2.594 20 10 EFCDMN Cc1cc(Br)c(O)c(C[NH2+]C2(CC(=O)[O-])CCC2)c1 ZINC001600071521 1094752163 /nfs/dbraw/zinc/75/21/63/1094752163.db2.gz XQWYFWIGHBDRSU-UHFFFAOYSA-N 0 1 328.206 2.950 20 10 EFCDMN Cc1cc(Br)c(O)c(C[NH2+][C@H](CC2CC2)C(=O)[O-])c1 ZINC001600071486 1094751732 /nfs/dbraw/zinc/75/17/32/1094751732.db2.gz VKMBLIOFFLHWFJ-GFCCVEGCSA-N 0 1 328.206 2.806 20 10 EFCDMN Cc1cc(C(=O)C[N@H+]2CC[C@@H](C(=O)[O-])C2)c(C)n1-c1ccccc1 ZINC001600076853 1094756122 /nfs/dbraw/zinc/75/61/22/1094756122.db2.gz QLJDBBUCNRMBKE-OAHLLOKOSA-N 0 1 326.396 2.683 20 10 EFCDMN Cn1cc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1C(=O)[O-] ZINC001600952362 1095442710 /nfs/dbraw/zinc/44/27/10/1095442710.db2.gz RYAIYAJJJLHHLS-INIZCTEOSA-N 0 1 344.411 2.610 20 10 EFCDMN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CC2(CCC2)CO1 ZINC001602057183 1096044943 /nfs/dbraw/zinc/04/49/43/1096044943.db2.gz MQXLJJVYHDIHHV-AWEZNQCLSA-N 0 1 339.819 2.891 20 10 EFCDMN C[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)[C@H](C(=O)[O-])C1 ZINC001604753629 1096948556 /nfs/dbraw/zinc/94/85/56/1096948556.db2.gz FWNJNPITNVRTIP-SKDRFNHKSA-N 0 1 328.206 2.840 20 10 EFCDMN C[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)[C@H](C(=O)[O-])C1 ZINC001604753629 1096948563 /nfs/dbraw/zinc/94/85/63/1096948563.db2.gz FWNJNPITNVRTIP-SKDRFNHKSA-N 0 1 328.206 2.840 20 10 EFCDMN CCOc1ccc(N2CC[NH+](Cc3cncc(C(=O)[O-])c3)CC2)cc1 ZINC001605691324 1097196572 /nfs/dbraw/zinc/19/65/72/1097196572.db2.gz YCMZYELDZUYNMJ-UHFFFAOYSA-N 0 1 341.411 2.501 20 10 EFCDMN CN(C)c1ccc(/C=C/C[N@H+](C)[C@@H](COC2CCC2)C(=O)[O-])cc1 ZINC001606054327 1097307819 /nfs/dbraw/zinc/30/78/19/1097307819.db2.gz SWPCMHVKZKEUGE-QWNKOJSDSA-N 0 1 332.444 2.720 20 10 EFCDMN CN(C)c1ccc(/C=C/C[N@@H+](C)[C@@H](COC2CCC2)C(=O)[O-])cc1 ZINC001606054327 1097307826 /nfs/dbraw/zinc/30/78/26/1097307826.db2.gz SWPCMHVKZKEUGE-QWNKOJSDSA-N 0 1 332.444 2.720 20 10 EFCDMN COc1ccc(C(=O)[O-])c2c1C[N@@H+](Cc1cc(F)ccc1O)CC2 ZINC001607214789 1097563166 /nfs/dbraw/zinc/56/31/66/1097563166.db2.gz LMLFKDRVJIURGM-UHFFFAOYSA-N 0 1 331.343 2.796 20 10 EFCDMN COc1ccc(N2CCC[N@@H+](Cc3cncc(C(=O)[O-])c3)CC2)cc1 ZINC001607269515 1097581168 /nfs/dbraw/zinc/58/11/68/1097581168.db2.gz OTTKGEPUWRKHCN-UHFFFAOYSA-N 0 1 341.411 2.501 20 10 EFCDMN Cc1ccc(O)c(C[N@@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c1 ZINC001607810972 1097740359 /nfs/dbraw/zinc/74/03/59/1097740359.db2.gz DWMXZGJZCTUHCG-DLBZAZTESA-N 0 1 327.380 2.706 20 10 EFCDMN O=C([O-])[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)c1cc(F)ccc1F ZINC001608548920 1097949806 /nfs/dbraw/zinc/94/98/06/1097949806.db2.gz VFQVTGAYLNYDGZ-AWEZNQCLSA-N 0 1 329.249 2.864 20 10 EFCDMN COc1cc(C[N@H+]2CCc3cccc(C(=O)[O-])c3C2)c(O)cc1C ZINC001610298970 1098609051 /nfs/dbraw/zinc/60/90/51/1098609051.db2.gz VKLKOBGXIIKYBJ-UHFFFAOYSA-N 0 1 327.380 2.966 20 10 EFCDMN COc1ccc(N2CCC[N@@H+](Cc3ccc(C(=O)[O-])cn3)CC2)cc1 ZINC001610339230 1098628785 /nfs/dbraw/zinc/62/87/85/1098628785.db2.gz MHQTWTOHVFKVTA-UHFFFAOYSA-N 0 1 341.411 2.501 20 10 EFCDMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC001610725787 1098851934 /nfs/dbraw/zinc/85/19/34/1098851934.db2.gz JFEXAMQXGGNGMQ-OAHLLOKOSA-N 0 1 340.301 2.779 20 10 EFCDMN O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1cccc(Br)c1O ZINC001610765862 1098874084 /nfs/dbraw/zinc/87/40/84/1098874084.db2.gz HRVNMGKMBGOVJA-SNVBAGLBSA-N 0 1 346.246 2.547 20 10 EFCDMN O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1cccc(Br)c1O ZINC001610765862 1098874103 /nfs/dbraw/zinc/87/41/03/1098874103.db2.gz HRVNMGKMBGOVJA-SNVBAGLBSA-N 0 1 346.246 2.547 20 10 EFCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCO[C@H](C3CC3)C2)c1O ZINC001610819099 1098910075 /nfs/dbraw/zinc/91/00/75/1098910075.db2.gz UJCUXCMSQRHVJQ-KRWDZBQOSA-N 0 1 327.380 2.854 20 10 EFCDMN COc1cc(NCc2ccc(N3CCN(C)CC3)cc2)ncc1F ZINC001167426228 1101583855 /nfs/dbraw/zinc/58/38/55/1101583855.db2.gz CNOHCYLFBFUXFX-UHFFFAOYSA-N 0 1 330.407 2.593 20 10 EFCDMN COc1cccc(N)c1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167434082 1101659207 /nfs/dbraw/zinc/65/92/07/1101659207.db2.gz APHRVIKFXXCZCF-UHFFFAOYSA-N 0 1 326.444 2.641 20 10 EFCDMN CCOCc1cncc(NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001167437656 1101724481 /nfs/dbraw/zinc/72/44/81/1101724481.db2.gz XRKOAQFBFXKENW-UHFFFAOYSA-N 0 1 340.471 2.982 20 10 EFCDMN CC[N@H+](CCCC(=O)OC)Cc1c([O-])cccc1Br ZINC001140098846 1102126420 /nfs/dbraw/zinc/12/64/20/1102126420.db2.gz PBXCYHZKGNPJHO-UHFFFAOYSA-N 0 1 330.222 2.930 20 10 EFCDMN CC[N@@H+](CCCC(=O)OC)Cc1c([O-])cccc1Br ZINC001140098846 1102126425 /nfs/dbraw/zinc/12/64/25/1102126425.db2.gz PBXCYHZKGNPJHO-UHFFFAOYSA-N 0 1 330.222 2.930 20 10 EFCDMN CCN(CCCC(=O)OC)Cc1c(O)cccc1Br ZINC001140098846 1102126429 /nfs/dbraw/zinc/12/64/29/1102126429.db2.gz PBXCYHZKGNPJHO-UHFFFAOYSA-N 0 1 330.222 2.930 20 10 EFCDMN COc1ccc(OC)c(NC(=S)NCc2cc(N(C)C)ccn2)c1 ZINC000905618878 1103422261 /nfs/dbraw/zinc/42/22/61/1103422261.db2.gz PZLXMEUHHRQNET-UHFFFAOYSA-N 0 1 346.456 2.651 20 10 EFCDMN Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3C[C@@](C)(O)CN3)n2)cc1 ZINC001211934826 1104641244 /nfs/dbraw/zinc/64/12/44/1104641244.db2.gz FHBYZMAEXCICAS-QFBILLFUSA-N 0 1 338.411 2.930 20 10 EFCDMN CO[C@@]1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCSC1 ZINC000897769009 1106078253 /nfs/dbraw/zinc/07/82/53/1106078253.db2.gz LMCHTGKNQWTFEY-ZDUSSCGKSA-N 0 1 336.240 2.837 20 10 EFCDMN CC(C)C(=O)N1CCC[C@@]12CC[N@@H+](Cc1cc(F)c(F)cc1[O-])C2 ZINC001142520833 1106112458 /nfs/dbraw/zinc/11/24/58/1106112458.db2.gz QCWDDZVKBPGWTI-SFHVURJKSA-N 0 1 338.398 2.893 20 10 EFCDMN CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(F)c(F)cc3[O-])C[C@H]21 ZINC001142530350 1106228167 /nfs/dbraw/zinc/22/81/67/1106228167.db2.gz FJYKXTZVTUJCQJ-SMDDNHRTSA-N 0 1 340.370 2.722 20 10 EFCDMN C[C@H]1C[N@@H+](Cc2c([O-])cc(Br)cc2F)CC[C@]1(C)O ZINC001233027510 1107544176 /nfs/dbraw/zinc/54/41/76/1107544176.db2.gz AOMBPOOPSSPMCQ-XPTSAGLGSA-N 0 1 332.213 2.887 20 10 EFCDMN CCN(CC)Cc1ccc(C(=O)NCc2cccc(OC)c2O)o1 ZINC000729859349 1107840524 /nfs/dbraw/zinc/84/05/24/1107840524.db2.gz QGPRVFUJTSRFGW-UHFFFAOYSA-N 0 1 332.400 2.766 20 10 EFCDMN CC[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(O)ccc1O ZINC001272387317 1108152206 /nfs/dbraw/zinc/15/22/06/1108152206.db2.gz WNKPBBVJPGHUQQ-LIRRHRJNSA-N 0 1 332.444 2.853 20 10 EFCDMN COc1ccnc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000924752029 1109241098 /nfs/dbraw/zinc/24/10/98/1109241098.db2.gz MWGZXASTDAFSAG-OAHLLOKOSA-N 0 1 327.428 2.778 20 10 EFCDMN COc1ccnc([C@H](C)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000924752025 1109241167 /nfs/dbraw/zinc/24/11/67/1109241167.db2.gz MWGZXASTDAFSAG-HNNXBMFYSA-N 0 1 327.428 2.778 20 10 EFCDMN CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cc2ccn[nH]2)cc1 ZINC000266629983 1110105530 /nfs/dbraw/zinc/10/55/30/1110105530.db2.gz WTNYZAYJTOPEPM-UHFFFAOYSA-N 0 1 338.411 2.840 20 10 EFCDMN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CCc2nccn2CC1 ZINC001235064146 1111607697 /nfs/dbraw/zinc/60/76/97/1111607697.db2.gz AAHIPHLEJWWCMK-UHFFFAOYSA-N 0 1 340.196 2.549 20 10 EFCDMN COc1cccc(CNCc2cc3c(C)nn(C)c3nc2Cl)c1O ZINC000733900752 1111957847 /nfs/dbraw/zinc/95/78/47/1111957847.db2.gz FJNRVKNALNEZNZ-UHFFFAOYSA-N 0 1 346.818 2.934 20 10 EFCDMN NC(=O)N=Nc1ccc(C(=O)NC2CN(CC3CCCCC3)C2)cc1 ZINC001031464734 1112107792 /nfs/dbraw/zinc/10/77/92/1112107792.db2.gz YYSYPTNKMKBFOQ-UHFFFAOYSA-N 0 1 343.431 2.843 20 10 EFCDMN CCc1noc2ncc(S(=O)(=O)Nc3ccc(O)c(C)c3)cc12 ZINC000185628807 1120376544 /nfs/dbraw/zinc/37/65/44/1120376544.db2.gz ZXLZPZNNBWIBOR-UHFFFAOYSA-N 0 1 333.369 2.600 20 10 EFCDMN CC[C@@H]([NH2+]C[C@@H]1COCCO1)c1cc(Br)ccc1[O-] ZINC000038060457 213199891 /nfs/dbraw/zinc/19/98/91/213199891.db2.gz ATCWMASNWQFXQG-DGCLKSJQSA-N 0 1 330.222 2.611 20 10 EFCDMN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCN(c3ccccn3)CC2)c1[O-] ZINC000158885517 239017979 /nfs/dbraw/zinc/01/79/79/239017979.db2.gz BEXFRCDQEKHLHN-UHFFFAOYSA-N 0 1 348.790 2.671 20 10 EFCDMN Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1O ZINC000194737071 240175235 /nfs/dbraw/zinc/17/52/35/240175235.db2.gz AEYXQRPATUUEGL-INIZCTEOSA-N 0 1 340.423 2.658 20 10 EFCDMN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1Cc2ccccc2CN1 ZINC000195171783 240209122 /nfs/dbraw/zinc/20/91/22/240209122.db2.gz FHKUWORZWYOKNN-HXUWFJFHSA-N 0 1 335.451 2.618 20 10 EFCDMN C[C@H]1CCCN(C(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000255830828 240311135 /nfs/dbraw/zinc/31/11/35/240311135.db2.gz DGCBYPQYMGJHLO-FUHWJXTLSA-N 0 1 346.471 2.632 20 10 EFCDMN Cc1ccc([C@H](CNC(=O)NCc2ccccc2O)N2CCCC2)o1 ZINC000263691538 240389200 /nfs/dbraw/zinc/38/92/00/240389200.db2.gz MRJAEZLBYVMHDP-INIZCTEOSA-N 0 1 343.427 2.930 20 10 EFCDMN Cc1cc(C(=O)NCCCc2cn[nH]c2C)c(C)n1-c1ccccn1 ZINC000263943547 240394018 /nfs/dbraw/zinc/39/40/18/240394018.db2.gz IATLACAYRJROCH-UHFFFAOYSA-N 0 1 337.427 2.883 20 10 EFCDMN C[C@@H](NCc1n[nH]c(C2CC2)n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000296391562 241085084 /nfs/dbraw/zinc/08/50/84/241085084.db2.gz KCFYVMTWQOZHGB-GFCCVEGCSA-N 0 1 345.422 2.509 20 10 EFCDMN Cc1cc(NC(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)n(C)n1 ZINC000298727246 241159194 /nfs/dbraw/zinc/15/91/94/241159194.db2.gz QUWLFTLVAOIWOS-UHFFFAOYSA-N 0 1 343.475 2.644 20 10 EFCDMN CN(C)[C@H](CNC(=O)NCc1ccccc1O)c1cccc(F)c1 ZINC000299549830 241180700 /nfs/dbraw/zinc/18/07/00/241180700.db2.gz XJIDSXNRSDDAJL-MRXNPFEDSA-N 0 1 331.391 2.633 20 10 EFCDMN CN(C)[C@@H](CNC(=O)NCc1ccccc1O)c1cccc(F)c1 ZINC000299549827 241180902 /nfs/dbraw/zinc/18/09/02/241180902.db2.gz XJIDSXNRSDDAJL-INIZCTEOSA-N 0 1 331.391 2.633 20 10 EFCDMN COc1ccnc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000301209676 241184719 /nfs/dbraw/zinc/18/47/19/241184719.db2.gz SYMXBAWRVMYEBA-CQSZACIVSA-N 0 1 348.834 2.921 20 10 EFCDMN COc1ccnc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000301209676 241184725 /nfs/dbraw/zinc/18/47/25/241184725.db2.gz SYMXBAWRVMYEBA-CQSZACIVSA-N 0 1 348.834 2.921 20 10 EFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)CF)C1 ZINC000360607869 242203537 /nfs/dbraw/zinc/20/35/37/242203537.db2.gz PSNKPOPBIGRTQL-CQSZACIVSA-N 0 1 331.435 2.882 20 10 EFCDMN COC(=O)c1ccc(CN2CCCN(c3ccc(OC)cc3)CC2)[nH]1 ZINC000360723651 242209180 /nfs/dbraw/zinc/20/91/80/242209180.db2.gz YVCLXGCZPBUXGW-UHFFFAOYSA-N 0 1 343.427 2.522 20 10 EFCDMN C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1cc(Cl)ccc1[O-] ZINC000363853276 242283183 /nfs/dbraw/zinc/28/31/83/242283183.db2.gz KHDKHBVTCATUQX-IAQYHMDHSA-N 0 1 335.835 2.963 20 10 EFCDMN COCCOC[C@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177350839 533134695 /nfs/dbraw/zinc/13/46/95/533134695.db2.gz SJVFIXAHNKMVEC-ZDUSSCGKSA-N 0 1 341.835 2.733 20 10 EFCDMN COCCOC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177350839 533134699 /nfs/dbraw/zinc/13/46/99/533134699.db2.gz SJVFIXAHNKMVEC-ZDUSSCGKSA-N 0 1 341.835 2.733 20 10 EFCDMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cs1 ZINC000408513816 257984636 /nfs/dbraw/zinc/98/46/36/257984636.db2.gz UOEPYXFKBZYELG-UHFFFAOYSA-N 0 1 347.801 2.695 20 10 EFCDMN COc1ccc2c(c1)CN(Cc1cc(OC)c(OC)cc1O)CC2 ZINC000159930708 533261216 /nfs/dbraw/zinc/26/12/16/533261216.db2.gz IMRUWJADRMNSJM-UHFFFAOYSA-N 0 1 329.396 2.976 20 10 EFCDMN COc1cccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000172536802 533474683 /nfs/dbraw/zinc/47/46/83/533474683.db2.gz ITUUQCIXJKRMKT-QGZVFWFLSA-N 0 1 328.412 2.977 20 10 EFCDMN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1cnn(C)c1 ZINC000163944592 533534621 /nfs/dbraw/zinc/53/46/21/533534621.db2.gz JQRKEGUUPPKJIC-ZIAGYGMSSA-N 0 1 332.423 2.808 20 10 EFCDMN COc1cc(Cl)cc(CN2CCS[C@@H]3COCC[C@@H]32)c1O ZINC000184702024 286223146 /nfs/dbraw/zinc/22/31/46/286223146.db2.gz BIYCNVYVYRWWBE-GXTWGEPZSA-N 0 1 329.849 2.761 20 10 EFCDMN C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000185028609 473305964 /nfs/dbraw/zinc/30/59/64/473305964.db2.gz FDNFLOTZUKQSPM-VXGBXAGGSA-N 0 1 343.265 2.526 20 10 EFCDMN C[C@H](CN1CCCC1=O)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185110320 473332043 /nfs/dbraw/zinc/33/20/43/473332043.db2.gz NLOHBYCVKOUSDY-MNOVXSKESA-N 0 1 341.249 2.816 20 10 EFCDMN COc1ccc(N2CCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)cc1F ZINC000084815435 472221602 /nfs/dbraw/zinc/22/16/02/472221602.db2.gz VLGRXERRXXKPCE-UHFFFAOYSA-N 0 1 346.406 2.643 20 10 EFCDMN CN(Cc1ccccc1O)[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000088511007 472369114 /nfs/dbraw/zinc/36/91/14/472369114.db2.gz DBWYHZSAHFRXGF-OAHLLOKOSA-N 0 1 332.350 2.908 20 10 EFCDMN C[C@H]1CCCN(C(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000096970980 472402919 /nfs/dbraw/zinc/40/29/19/472402919.db2.gz DGCBYPQYMGJHLO-WMZOPIPTSA-N 0 1 346.471 2.632 20 10 EFCDMN C[C@@H]1[C@H](C)SCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000118533862 472497553 /nfs/dbraw/zinc/49/75/53/472497553.db2.gz RUVCCAXCIAVGAT-CABCVRRESA-N 0 1 335.517 2.537 20 10 EFCDMN CN1CCCc2cc(CNC(=O)c3cccc(-c4nnc[nH]4)c3)ccc21 ZINC000119760592 472581399 /nfs/dbraw/zinc/58/13/99/472581399.db2.gz SNJANOBFOAOJBZ-UHFFFAOYSA-N 0 1 347.422 2.784 20 10 EFCDMN CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1c([O-])cccc1Cl)CC2 ZINC000130247468 472592110 /nfs/dbraw/zinc/59/21/10/472592110.db2.gz SMNYQLQICGFVFX-JKSUJKDBSA-N 0 1 325.836 2.798 20 10 EFCDMN CC[C@@H]([NH2+]CC[C@@H](O)COC)c1cc(Br)ccc1[O-] ZINC000156986320 472772907 /nfs/dbraw/zinc/77/29/07/472772907.db2.gz KJBKYNWAQMGPNQ-DGCLKSJQSA-N 0 1 332.238 2.593 20 10 EFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c1[O-] ZINC000091855914 472816332 /nfs/dbraw/zinc/81/63/32/472816332.db2.gz PEEQKGBBFFHMMT-WCQYABFASA-N 0 1 344.820 2.660 20 10 EFCDMN COCc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000121293329 472830312 /nfs/dbraw/zinc/83/03/12/472830312.db2.gz VRAJRGSTONFYHC-UHFFFAOYSA-N 0 1 330.428 2.895 20 10 EFCDMN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccc2c1OCO2 ZINC000121300635 472832441 /nfs/dbraw/zinc/83/24/41/472832441.db2.gz CDRGLPULIJKIDD-UHFFFAOYSA-N 0 1 340.423 2.884 20 10 EFCDMN CN(C)[C@H](CNC(=O)N(C)Cc1ccccc1O)c1ccsc1 ZINC000079267258 472840243 /nfs/dbraw/zinc/84/02/43/472840243.db2.gz WEJOIMGNWQYSMP-OAHLLOKOSA-N 0 1 333.457 2.898 20 10 EFCDMN C/C=C/C=C/C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000106702063 472882604 /nfs/dbraw/zinc/88/26/04/472882604.db2.gz XVQQVQKCBNBXEE-TWTPFVCWSA-N 0 1 331.435 2.716 20 10 EFCDMN CC/C=C(/C)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000106702634 472882632 /nfs/dbraw/zinc/88/26/32/472882632.db2.gz CCACIVSRPMHBGA-UUASQNMZSA-N 0 1 333.451 2.940 20 10 EFCDMN CCOCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000158085391 472890959 /nfs/dbraw/zinc/89/09/59/472890959.db2.gz RZIRIBBGVAXQIN-HNNXBMFYSA-N 0 1 340.851 2.553 20 10 EFCDMN c1cc2c(c(CNCc3ccc(N4CCOCC4)cc3)c1)OCO2 ZINC000065475942 472951925 /nfs/dbraw/zinc/95/19/25/472951925.db2.gz HDNMDCMVTOWROJ-UHFFFAOYSA-N 0 1 326.396 2.542 20 10 EFCDMN CC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H](C)CS(C)(=O)=O ZINC000093390817 473099622 /nfs/dbraw/zinc/09/96/22/473099622.db2.gz PLOWBFAOBDFKHF-SECBINFHSA-N 0 1 340.272 2.954 20 10 EFCDMN CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H](C)CS(C)(=O)=O ZINC000093390817 473099627 /nfs/dbraw/zinc/09/96/27/473099627.db2.gz PLOWBFAOBDFKHF-SECBINFHSA-N 0 1 340.272 2.954 20 10 EFCDMN COc1ccc(N2CCCN(CC(=O)N3CCCC[C@H]3C)CC2)cc1 ZINC000052466188 473110509 /nfs/dbraw/zinc/11/05/09/473110509.db2.gz YLZMNWICSZIGQZ-QGZVFWFLSA-N 0 1 345.487 2.608 20 10 EFCDMN COc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2O)cc1OC ZINC000109773006 473121073 /nfs/dbraw/zinc/12/10/73/473121073.db2.gz VAMJEMKRWCVTGA-ZDUSSCGKSA-N 0 1 344.411 2.868 20 10 EFCDMN CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cc(Cl)ccc1[O-])CC2 ZINC000093613675 473125726 /nfs/dbraw/zinc/12/57/26/473125726.db2.gz IOUHJWHLHXCWLD-HZPDHXFCSA-N 0 1 325.836 2.798 20 10 EFCDMN COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000093813397 473146164 /nfs/dbraw/zinc/14/61/64/473146164.db2.gz TUQXJSWUEPATBD-AWEZNQCLSA-N 0 1 328.206 2.540 20 10 EFCDMN COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000093813397 473146170 /nfs/dbraw/zinc/14/61/70/473146170.db2.gz TUQXJSWUEPATBD-AWEZNQCLSA-N 0 1 328.206 2.540 20 10 EFCDMN CN(CC(=O)N1CCc2[nH]c3ccccc3c2C1)Cc1ccccc1O ZINC000111235629 473198581 /nfs/dbraw/zinc/19/85/81/473198581.db2.gz XPBKFYDNICGVOZ-UHFFFAOYSA-N 0 1 349.434 2.890 20 10 EFCDMN CCOc1cccc(CN2CCN(Cc3csc(C)n3)CC2)c1O ZINC000123943893 473199154 /nfs/dbraw/zinc/19/91/54/473199154.db2.gz LVRBHFXYOASLRU-UHFFFAOYSA-N 0 1 347.484 2.874 20 10 EFCDMN C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])N1CCN(C)CC1 ZINC000185365941 473406353 /nfs/dbraw/zinc/40/63/53/473406353.db2.gz GTWDTKVGDYTZFI-NEPJUHHUSA-N 0 1 346.302 2.986 20 10 EFCDMN COCCCN(C)CC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000185553447 473455143 /nfs/dbraw/zinc/45/51/43/473455143.db2.gz GKNYSFLEQOYBNP-LBPRGKRZSA-N 0 1 345.281 2.774 20 10 EFCDMN CCn1cc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cn1 ZINC000151536678 473470072 /nfs/dbraw/zinc/47/00/72/473470072.db2.gz SMQLPLUMVXQSLT-CQSZACIVSA-N 0 1 346.450 2.854 20 10 EFCDMN C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1cc(Br)ccc1[O-] ZINC000185638246 473474195 /nfs/dbraw/zinc/47/41/95/473474195.db2.gz IUFCXKIAXLCJPS-NOZJJQNGSA-N 0 1 332.263 2.673 20 10 EFCDMN CC[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])C(=O)N1CCOCC1 ZINC000185665070 473483091 /nfs/dbraw/zinc/48/30/91/473483091.db2.gz QDRBYWMXNUBDTN-KBXCAEBGSA-N 0 1 342.439 2.833 20 10 EFCDMN CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])N1CCN(C)CC1 ZINC000191197422 473505073 /nfs/dbraw/zinc/50/50/73/473505073.db2.gz WQKSSYUWGWVBTI-BBRMVZONSA-N 0 1 341.446 2.593 20 10 EFCDMN CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Br)ccc2[O-])C1 ZINC000185787195 473513624 /nfs/dbraw/zinc/51/36/24/473513624.db2.gz SGOCQDRZABMUJL-CMPLNLGQSA-N 0 1 341.249 2.816 20 10 EFCDMN COc1ccc2c(c1)nc(CNCc1cccc(OC)c1O)n2C ZINC000185834640 473526747 /nfs/dbraw/zinc/52/67/47/473526747.db2.gz LWCAWJHYFWLYMF-UHFFFAOYSA-N 0 1 327.384 2.586 20 10 EFCDMN Cc1nn(C)cc1[C@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000178536037 473528853 /nfs/dbraw/zinc/52/88/53/473528853.db2.gz XVQPZHAGNPKRKA-ZDUSSCGKSA-N 0 1 346.450 2.680 20 10 EFCDMN C[C@H](CCN1CCN(C)CC1)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000185871412 473534799 /nfs/dbraw/zinc/53/47/99/473534799.db2.gz ZCVKCHQQMIJOGF-GFCCVEGCSA-N 0 1 346.302 2.815 20 10 EFCDMN CC(C)N1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2[O-])C1=O ZINC000186048679 473579655 /nfs/dbraw/zinc/57/96/55/473579655.db2.gz BIZQMAMQBGWMTQ-MFKMUULPSA-N 0 1 341.249 2.815 20 10 EFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000152698476 473590501 /nfs/dbraw/zinc/59/05/01/473590501.db2.gz QMRJMIQAPMRHBY-OAHLLOKOSA-N 0 1 336.229 2.848 20 10 EFCDMN C[C@H]([NH2+]CC1(CO)CCOCC1)c1cc(Br)ccc1[O-] ZINC000186149358 473600746 /nfs/dbraw/zinc/60/07/46/473600746.db2.gz XXEQPNCHJCRFHR-NSHDSACASA-N 0 1 344.249 2.594 20 10 EFCDMN CNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000186224053 473620889 /nfs/dbraw/zinc/62/08/89/473620889.db2.gz JZPHMSQVWOYYHU-SECBINFHSA-N 0 1 329.238 2.578 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[NH+]2CCC(Cn3cncn3)CC2)c1[O-] ZINC000186269187 473633881 /nfs/dbraw/zinc/63/38/81/473633881.db2.gz NGJSCTSUHFWGJI-UHFFFAOYSA-N 0 1 348.834 2.752 20 10 EFCDMN CCN(CC(=O)Nc1cccc(OC)c1)Cc1cccc(OC)c1O ZINC000179603411 473698652 /nfs/dbraw/zinc/69/86/52/473698652.db2.gz SOCRLSXZMIJPGF-UHFFFAOYSA-N 0 1 344.411 2.870 20 10 EFCDMN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1c[nH]nn1 ZINC000287575535 473700158 /nfs/dbraw/zinc/70/01/58/473700158.db2.gz QCDBEKXITOQKJK-UHFFFAOYSA-N 0 1 343.412 2.752 20 10 EFCDMN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)(F)F ZINC000173023003 473727782 /nfs/dbraw/zinc/72/77/82/473727782.db2.gz CFEJTXJZVDURRO-SECBINFHSA-N 0 1 338.276 2.935 20 10 EFCDMN CC[C@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1cccc(Cl)c1[O-] ZINC000287695889 473736597 /nfs/dbraw/zinc/73/65/97/473736597.db2.gz NJWOSYQBBGSXTQ-BBRMVZONSA-N 0 1 325.884 2.722 20 10 EFCDMN CC[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1cccc(Cl)c1[O-] ZINC000287731538 473746637 /nfs/dbraw/zinc/74/66/37/473746637.db2.gz PDKQSEOFXURHFV-XJKSGUPXSA-N 0 1 325.884 2.722 20 10 EFCDMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1cccc(O)c1O ZINC000186764417 473752246 /nfs/dbraw/zinc/75/22/46/473752246.db2.gz RUIPAZZHZPWNSH-CYBMUJFWSA-N 0 1 332.425 2.726 20 10 EFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000180071009 473790047 /nfs/dbraw/zinc/79/00/47/473790047.db2.gz ATAGHCMMMOQOFD-CYBMUJFWSA-N 0 1 332.835 2.963 20 10 EFCDMN CCN(CC)c1ccc(CNC(=O)NCc2cn[nH]c2C)cc1F ZINC000274371690 473796179 /nfs/dbraw/zinc/79/61/79/473796179.db2.gz KTSBCRPBDZPDIA-UHFFFAOYSA-N 0 1 333.411 2.703 20 10 EFCDMN COc1ccc(CN(CCO)Cc2cccc(C)c2O)c(OC)c1 ZINC000180227564 473833736 /nfs/dbraw/zinc/83/37/36/473833736.db2.gz WXUYLTNNYRCQPV-UHFFFAOYSA-N 0 1 331.412 2.712 20 10 EFCDMN CCc1nsc(N2CCN(Cc3cccc(Cl)c3O)CC2)n1 ZINC000180421630 473873946 /nfs/dbraw/zinc/87/39/46/473873946.db2.gz SZZAQRZBMPPMFY-UHFFFAOYSA-N 0 1 338.864 2.782 20 10 EFCDMN CCc1nsc(N2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)n1 ZINC000180421630 473873953 /nfs/dbraw/zinc/87/39/53/473873953.db2.gz SZZAQRZBMPPMFY-UHFFFAOYSA-N 0 1 338.864 2.782 20 10 EFCDMN COC(=O)[C@H]1CCN(Cc2cc(Br)ccc2O)C[C@H]1C ZINC000188101732 473982259 /nfs/dbraw/zinc/98/22/59/473982259.db2.gz QZVDKVPBLKGEJB-MFKMUULPSA-N 0 1 342.233 2.786 20 10 EFCDMN COCCCOCC[N@@H+](C)Cc1cc(Br)ccc1O ZINC000181524570 474044296 /nfs/dbraw/zinc/04/42/96/474044296.db2.gz CVLAWENCSOUUEN-UHFFFAOYSA-N 0 1 332.238 2.640 20 10 EFCDMN COCCCOCC[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000181524570 474044302 /nfs/dbraw/zinc/04/43/02/474044302.db2.gz CVLAWENCSOUUEN-UHFFFAOYSA-N 0 1 332.238 2.640 20 10 EFCDMN COCCCOCC[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000181524570 474044305 /nfs/dbraw/zinc/04/43/05/474044305.db2.gz CVLAWENCSOUUEN-UHFFFAOYSA-N 0 1 332.238 2.640 20 10 EFCDMN CCOc1cccc(CN[C@]2(CO)CCOc3ccccc32)c1O ZINC000282397381 474050183 /nfs/dbraw/zinc/05/01/83/474050183.db2.gz PJFXLMIFNXVFHB-IBGZPJMESA-N 0 1 329.396 2.551 20 10 EFCDMN O=C(c1cc(C2CC2)[nH]n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000264664899 474080187 /nfs/dbraw/zinc/08/01/87/474080187.db2.gz IGXQPZBTFQDBKG-HNNXBMFYSA-N 0 1 341.411 2.814 20 10 EFCDMN CCCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)NCCCOCC ZINC000282573052 474115000 /nfs/dbraw/zinc/11/50/00/474115000.db2.gz ZSROKZNWJKRMCJ-MRXNPFEDSA-N 0 1 336.476 2.926 20 10 EFCDMN CCCC[N@@H+](Cc1ccccc1[O-])CC1CCS(=O)(=O)CC1 ZINC000282574195 474115243 /nfs/dbraw/zinc/11/52/43/474115243.db2.gz ZXSUVERERYSEOG-UHFFFAOYSA-N 0 1 325.474 2.819 20 10 EFCDMN CCCC[N@H+](Cc1ccccc1[O-])CC1CCS(=O)(=O)CC1 ZINC000282574195 474115246 /nfs/dbraw/zinc/11/52/46/474115246.db2.gz ZXSUVERERYSEOG-UHFFFAOYSA-N 0 1 325.474 2.819 20 10 EFCDMN Cc1cc(C(=O)N2CCN(C3CCC3)CC2)c(C)n1-c1ccccn1 ZINC000264957848 474161565 /nfs/dbraw/zinc/16/15/65/474161565.db2.gz LKFRNBNOONQPME-UHFFFAOYSA-N 0 1 338.455 2.799 20 10 EFCDMN CCN(CC)[C@@H](C(=O)NCc1ccc(O)c(O)c1)c1ccccc1 ZINC000182517690 474194528 /nfs/dbraw/zinc/19/45/28/474194528.db2.gz PFOATIUUHUPJJX-GOSISDBHSA-N 0 1 328.412 2.797 20 10 EFCDMN COc1ccc(CNCCS(=O)(=O)CCc2ccccc2)cc1C ZINC000282788863 474194553 /nfs/dbraw/zinc/19/45/53/474194553.db2.gz WISOUKZAOCIEKA-UHFFFAOYSA-N 0 1 347.480 2.751 20 10 EFCDMN C[C@@H](CS(C)(=O)=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000182676380 474231903 /nfs/dbraw/zinc/23/19/03/474231903.db2.gz UHTNZVKELPYEML-HNNXBMFYSA-N 0 1 338.517 2.978 20 10 EFCDMN C[C@@](O)(C[NH2+]Cc1cc(Br)ccc1[O-])c1ccco1 ZINC000266157114 474421375 /nfs/dbraw/zinc/42/13/75/474421375.db2.gz MJOQOXRLJHVRQX-CQSZACIVSA-N 0 1 326.190 2.745 20 10 EFCDMN C[C@H]1CN(c2ccc(CNCc3ccc(CO)o3)cc2F)C[C@H](C)O1 ZINC000266240128 474425918 /nfs/dbraw/zinc/42/59/18/474425918.db2.gz WXUFLLOFTGAIJT-KBPBESRZSA-N 0 1 348.418 2.814 20 10 EFCDMN COc1ncccc1CC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000289788696 474427381 /nfs/dbraw/zinc/42/73/81/474427381.db2.gz LGJKLMVBSUEFMB-UHFFFAOYSA-N 0 1 337.217 2.891 20 10 EFCDMN Cc1nnc(SCC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)[nH]1 ZINC000266778462 474479693 /nfs/dbraw/zinc/47/96/93/474479693.db2.gz AHPOKNXXDVACGM-UHFFFAOYSA-N 0 1 347.488 2.708 20 10 EFCDMN Cc1n[nH]c(SCC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000266778462 474479699 /nfs/dbraw/zinc/47/96/99/474479699.db2.gz AHPOKNXXDVACGM-UHFFFAOYSA-N 0 1 347.488 2.708 20 10 EFCDMN OCC[C@H](NCc1cc(Br)ccc1O)c1ccco1 ZINC000184520212 474535519 /nfs/dbraw/zinc/53/55/19/474535519.db2.gz YDRGDTHKPBZAQB-LBPRGKRZSA-N 0 1 326.190 2.961 20 10 EFCDMN COC(=O)C[C@@](C)(NCc1ccc(OC)c(C)c1)c1ccncc1 ZINC000276496142 474563959 /nfs/dbraw/zinc/56/39/59/474563959.db2.gz WQIAQCJGFDMTTI-LJQANCHMSA-N 0 1 328.412 2.967 20 10 EFCDMN CC[C@]1(CO)CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000190218094 474565706 /nfs/dbraw/zinc/56/57/06/474565706.db2.gz MSFRJZITCNAYEH-HNNXBMFYSA-N 0 1 328.796 2.938 20 10 EFCDMN O=C(c1c([O-])c(O)ccc1F)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000276778918 474570761 /nfs/dbraw/zinc/57/07/61/474570761.db2.gz ZDVYENQHYZLJOG-UHFFFAOYSA-N 0 1 344.386 2.585 20 10 EFCDMN O=C(c1c([O-])c(O)ccc1F)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000276778918 474570767 /nfs/dbraw/zinc/57/07/67/474570767.db2.gz ZDVYENQHYZLJOG-UHFFFAOYSA-N 0 1 344.386 2.585 20 10 EFCDMN C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000290563545 474577559 /nfs/dbraw/zinc/57/75/59/474577559.db2.gz SLYMRRFAMWQAKP-ZWNOBZJWSA-N 0 1 327.812 2.726 20 10 EFCDMN O=S1(=O)CCN(Cc2cccc(Cl)c2O)CC12CCCCC2 ZINC000271769236 474590668 /nfs/dbraw/zinc/59/06/68/474590668.db2.gz FZUSIKMKYWILQV-UHFFFAOYSA-N 0 1 343.876 2.979 20 10 EFCDMN CN(C)c1ccc(CN(C)C(=O)CNC2(c3ccccc3)CC2)cc1 ZINC000271802619 474594042 /nfs/dbraw/zinc/59/40/42/474594042.db2.gz KLZBLOSBJPIVTB-UHFFFAOYSA-N 0 1 337.467 2.990 20 10 EFCDMN COc1ccc(N2CCN([C@@H]3Cc4ccccc4[C@@H]3O)CC2)cc1F ZINC000271881806 474598464 /nfs/dbraw/zinc/59/84/64/474598464.db2.gz CEJCZSDIQCTTMZ-QUCCMNQESA-N 0 1 342.414 2.615 20 10 EFCDMN CCN(CC)c1ccc(CN[C@@H](c2nnc[nH]2)c2cccnc2)cc1 ZINC000284254653 474604057 /nfs/dbraw/zinc/60/40/57/474604057.db2.gz VXAKQNSHKWPBPG-GOSISDBHSA-N 0 1 336.443 2.925 20 10 EFCDMN COc1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])ccc1O ZINC000278270155 474605621 /nfs/dbraw/zinc/60/56/21/474605621.db2.gz ROGWANCIHPRWEB-UHFFFAOYSA-N 0 1 348.355 2.655 20 10 EFCDMN COc1cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])ccc1O ZINC000278270155 474605624 /nfs/dbraw/zinc/60/56/24/474605624.db2.gz ROGWANCIHPRWEB-UHFFFAOYSA-N 0 1 348.355 2.655 20 10 EFCDMN Oc1cc2c(cc1CN1CCC[C@H](Oc3ncccc3F)C1)OCO2 ZINC000278285862 474605789 /nfs/dbraw/zinc/60/57/89/474605789.db2.gz QTXQQBMDDHYPFM-ZDUSSCGKSA-N 0 1 346.358 2.698 20 10 EFCDMN COC(=O)c1coc([C@H](C)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000278341098 474614922 /nfs/dbraw/zinc/61/49/22/474614922.db2.gz XLHHFHZDSKJOFW-AWEZNQCLSA-N 0 1 344.411 2.754 20 10 EFCDMN C[C@H]([NH2+]CCCN1CCOCC1)c1ccc(Br)cc1[O-] ZINC000184838072 474618298 /nfs/dbraw/zinc/61/82/98/474618298.db2.gz QEAUJZYOUCGPER-LBPRGKRZSA-N 0 1 343.265 2.528 20 10 EFCDMN COc1c([O-])c(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000291560954 474619917 /nfs/dbraw/zinc/61/99/17/474619917.db2.gz NBCMQXAYGWMUBN-XJKSGUPXSA-N 0 1 336.388 2.698 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000291560954 474619922 /nfs/dbraw/zinc/61/99/22/474619922.db2.gz NBCMQXAYGWMUBN-XJKSGUPXSA-N 0 1 336.388 2.698 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)C3(CC)CC3)cc2F)CC1 ZINC000267233042 474624731 /nfs/dbraw/zinc/62/47/31/474624731.db2.gz GZYNOEMTRDCLON-UHFFFAOYSA-N 0 1 333.451 2.774 20 10 EFCDMN COc1c([O-])c(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)ccc1[N+](=O)[O-] ZINC000278390226 474630915 /nfs/dbraw/zinc/63/09/15/474630915.db2.gz MVNUHEFIMMPPBQ-KRWDZBQOSA-N 0 1 338.404 2.682 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CCC[C@@]2(CO)CC(C)C)ccc1[N+](=O)[O-] ZINC000278390226 474630918 /nfs/dbraw/zinc/63/09/18/474630918.db2.gz MVNUHEFIMMPPBQ-KRWDZBQOSA-N 0 1 338.404 2.682 20 10 EFCDMN COCc1ccc(OC)c(S(=O)(=O)Nc2ccc(O)c(C)c2)c1 ZINC000285180519 474918670 /nfs/dbraw/zinc/91/86/70/474918670.db2.gz RIKQGNYLKJELJD-UHFFFAOYSA-N 0 1 337.397 2.656 20 10 EFCDMN CC(=O)c1cc(F)cc(C[NH+]2CCC(C3(C)OCCO3)CC2)c1[O-] ZINC000268437977 474977479 /nfs/dbraw/zinc/97/74/79/474977479.db2.gz FNYYKSXLZHNPNL-UHFFFAOYSA-N 0 1 337.391 2.709 20 10 EFCDMN CC(=O)c1cc(F)cc(CN2CCC(C3(C)OCCO3)CC2)c1O ZINC000268437977 474977490 /nfs/dbraw/zinc/97/74/90/474977490.db2.gz FNYYKSXLZHNPNL-UHFFFAOYSA-N 0 1 337.391 2.709 20 10 EFCDMN C[C@@H](N[C@H](C)c1cc(Br)ccc1O)c1nncn1C ZINC000273614684 474991582 /nfs/dbraw/zinc/99/15/82/474991582.db2.gz WZWRDVAEBKIUOB-RKDXNWHRSA-N 0 1 325.210 2.695 20 10 EFCDMN Cc1cnn(C)c1CNCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000285461367 475026109 /nfs/dbraw/zinc/02/61/09/475026109.db2.gz MZANCUWXLFWWMX-GASCZTMLSA-N 0 1 346.450 2.771 20 10 EFCDMN Cc1cnn(C)c1CNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000285461369 475026702 /nfs/dbraw/zinc/02/67/02/475026702.db2.gz MZANCUWXLFWWMX-GJZGRUSLSA-N 0 1 346.450 2.771 20 10 EFCDMN CC(C)[C@H](NCc1cc(Br)ccc1O)c1nncn1C ZINC000285608505 475032757 /nfs/dbraw/zinc/03/27/57/475032757.db2.gz VSWYRKFAGYSENR-ZDUSSCGKSA-N 0 1 339.237 2.770 20 10 EFCDMN CCS(=O)(=O)c1ccc(CNCc2cc(OC)ccc2O)s1 ZINC000280564622 475033197 /nfs/dbraw/zinc/03/31/97/475033197.db2.gz LEOATCCFGBDJKZ-UHFFFAOYSA-N 0 1 341.454 2.546 20 10 EFCDMN O=C1NCCC[N@H+](Cc2cccc(Cl)c2[O-])[C@H]1Cc1ccccc1 ZINC000293731262 475050647 /nfs/dbraw/zinc/05/06/47/475050647.db2.gz UUSZACVMSTWNFT-KRWDZBQOSA-N 0 1 344.842 2.979 20 10 EFCDMN C[C@H]([NH2+]CC(C)(C)OCCO)c1cc(Br)ccc1[O-] ZINC000287242610 475099729 /nfs/dbraw/zinc/09/97/29/475099729.db2.gz HITSLYPJLCHVJT-JTQLQIEISA-N 0 1 332.238 2.593 20 10 EFCDMN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2Cc2cc3c(cc2O)OCO3)C1 ZINC000281133317 475084487 /nfs/dbraw/zinc/08/44/87/475084487.db2.gz DBQYJOROBFXCSU-BVUBDWEXSA-N 0 1 333.428 2.882 20 10 EFCDMN C[C@H](NC(=O)c1c([O-])c(O)ccc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000294925559 475091218 /nfs/dbraw/zinc/09/12/18/475091218.db2.gz GXQILLRVYLURRA-ZBEGNZNMSA-N 0 1 332.375 2.658 20 10 EFCDMN CCCCCN(CC(N)=O)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000294968445 475096137 /nfs/dbraw/zinc/09/61/37/475096137.db2.gz KTGVUNIPUCYJLR-UHFFFAOYSA-N 0 1 347.503 2.779 20 10 EFCDMN CC1(C)C[C@@H](O)CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000295150421 475107239 /nfs/dbraw/zinc/10/72/39/475107239.db2.gz COVMCTLSZAJTJD-LBPRGKRZSA-N 0 1 328.796 2.937 20 10 EFCDMN CCCCN(Cc1ccc(N(C)C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000292774401 475191401 /nfs/dbraw/zinc/19/14/01/475191401.db2.gz JYGOGRIOCAMBCG-QGZVFWFLSA-N 0 1 338.517 2.850 20 10 EFCDMN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000350284610 476118891 /nfs/dbraw/zinc/11/88/91/476118891.db2.gz FCVHMVVYYWVYQU-CQSZACIVSA-N 0 1 328.460 2.722 20 10 EFCDMN O=C1CCC[C@@H]1[C@@H]1COCCN1Cc1c(O)ccc(Cl)c1F ZINC000373822175 476431650 /nfs/dbraw/zinc/43/16/50/476431650.db2.gz YLMXMOBGRGLTID-MFKMUULPSA-N 0 1 327.783 2.755 20 10 EFCDMN COC(=O)c1ccc(C[N@H+]2CCCN(c3ccc(OC)cc3)CC2)o1 ZINC000363619115 476462278 /nfs/dbraw/zinc/46/22/78/476462278.db2.gz KEAPRQPFKWQUNC-UHFFFAOYSA-N 0 1 344.411 2.787 20 10 EFCDMN COC(=O)c1ccc(CN2CCCN(c3ccc(OC)cc3)CC2)o1 ZINC000363619115 476462284 /nfs/dbraw/zinc/46/22/84/476462284.db2.gz KEAPRQPFKWQUNC-UHFFFAOYSA-N 0 1 344.411 2.787 20 10 EFCDMN Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2[O-])cn1 ZINC000374258341 476465046 /nfs/dbraw/zinc/46/50/46/476465046.db2.gz VBHOZTNPKZZHPN-NVXWUHKLSA-N 0 1 335.835 2.867 20 10 EFCDMN Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[O-])cn1 ZINC000374258341 476465051 /nfs/dbraw/zinc/46/50/51/476465051.db2.gz VBHOZTNPKZZHPN-NVXWUHKLSA-N 0 1 335.835 2.867 20 10 EFCDMN Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2[O-])cn1 ZINC000374258343 476465130 /nfs/dbraw/zinc/46/51/30/476465130.db2.gz VBHOZTNPKZZHPN-WBVHZDCISA-N 0 1 335.835 2.867 20 10 EFCDMN Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[O-])cn1 ZINC000374258343 476465138 /nfs/dbraw/zinc/46/51/38/476465138.db2.gz VBHOZTNPKZZHPN-WBVHZDCISA-N 0 1 335.835 2.867 20 10 EFCDMN c1cc([C@H]2CCCCN2Cc2ccc(N3CCOCC3)cc2)n[nH]1 ZINC000377617579 476476239 /nfs/dbraw/zinc/47/62/39/476476239.db2.gz AKXCBARTOGGFFI-LJQANCHMSA-N 0 1 326.444 2.974 20 10 EFCDMN Cc1c2ccccc2n(C)c1CNC(=O)c1csc(=NC2CC2)[nH]1 ZINC000352139809 476524759 /nfs/dbraw/zinc/52/47/59/476524759.db2.gz HRNJITGPXGAIQP-UHFFFAOYSA-N 0 1 340.452 2.869 20 10 EFCDMN COCc1cccc(S(=O)(=O)Nc2ccc(O)cc2C(C)=O)c1 ZINC000408514094 476956574 /nfs/dbraw/zinc/95/65/74/476956574.db2.gz PSLXNFFJVXNTKT-UHFFFAOYSA-N 0 1 335.381 2.542 20 10 EFCDMN NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000370832135 477001717 /nfs/dbraw/zinc/00/17/17/477001717.db2.gz XMKSIEPGKBJLQB-AWEZNQCLSA-N 0 1 345.830 2.513 20 10 EFCDMN O=C(Cc1ccco1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000371214999 477181621 /nfs/dbraw/zinc/18/16/21/477181621.db2.gz HNYLUAZHPLJZBJ-OAHLLOKOSA-N 0 1 348.830 2.962 20 10 EFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1[O-] ZINC000371330127 477247298 /nfs/dbraw/zinc/24/72/98/477247298.db2.gz AQNAMZRWOGSQLG-MNOVXSKESA-N 0 1 326.780 2.812 20 10 EFCDMN Cc1cc(Br)cc(CN2CC[C@@H](n3cncn3)C2)c1O ZINC000377278734 477720867 /nfs/dbraw/zinc/72/08/67/477720867.db2.gz QZHNXMVAKYWODY-CYBMUJFWSA-N 0 1 337.221 2.502 20 10 EFCDMN Clc1cnn([C@H]2CCN(Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000368117042 477787178 /nfs/dbraw/zinc/78/71/78/477787178.db2.gz WEAMBVPRZVGLAZ-SFHVURJKSA-N 0 1 346.862 2.820 20 10 EFCDMN Cn1ccnc1C(NCc1c(O)ccc(Cl)c1F)c1nccn1C ZINC000527754812 478504860 /nfs/dbraw/zinc/50/48/60/478504860.db2.gz KNEFDUAIQYKOHO-UHFFFAOYSA-N 0 1 349.797 2.531 20 10 EFCDMN CCn1nncc1C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000527918645 478570947 /nfs/dbraw/zinc/57/09/47/478570947.db2.gz CHEQCVLEZLFBJG-VIFPVBQESA-N 0 1 325.210 2.617 20 10 EFCDMN C[C@H](NCCS(C)(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000178134763 533864205 /nfs/dbraw/zinc/86/42/05/533864205.db2.gz ZQEJDCDPVSPLHS-ZDUSSCGKSA-N 0 1 328.453 2.511 20 10 EFCDMN CC[C@@H]([NH2+][C@H]1CCCCNC1=O)c1cc(Br)ccc1[O-] ZINC000036977307 522946656 /nfs/dbraw/zinc/94/66/56/522946656.db2.gz SEIXQVHPPBRQNL-OLZOCXBDSA-N 0 1 341.249 2.864 20 10 EFCDMN Cc1ncc([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c(C)n1 ZINC000165179513 534751128 /nfs/dbraw/zinc/75/11/28/534751128.db2.gz HQMOTRMTSBUFLV-ZDUSSCGKSA-N 0 1 344.434 2.920 20 10 EFCDMN CC(C)(C)OC(=O)CC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000174433899 526359861 /nfs/dbraw/zinc/35/98/61/526359861.db2.gz PXJIMPAOEBKIAT-UHFFFAOYSA-N 0 1 330.222 2.976 20 10 EFCDMN CCOCc1cc(CN[C@H](C)C(=O)NCc2ccco2)ccc1OC ZINC000171786067 529034996 /nfs/dbraw/zinc/03/49/96/529034996.db2.gz QAGBQKGLEMCRAP-CQSZACIVSA-N 0 1 346.427 2.619 20 10 EFCDMN CC[C@@H](C)N1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000297248520 535560886 /nfs/dbraw/zinc/56/08/86/535560886.db2.gz NMWOMRFCEGBXED-QGZVFWFLSA-N 0 1 342.487 2.689 20 10 EFCDMN COC1CCN(c2ccc(CN(C)Cc3cnn(C)c3)cc2)CC1 ZINC000296537368 536755812 /nfs/dbraw/zinc/75/58/12/536755812.db2.gz NPFBKEGTWVPRNZ-UHFFFAOYSA-N 0 1 328.460 2.667 20 10 EFCDMN CN1CCN(c2ccc(C[NH2+][C@@H](CCC(C)(C)C)C(=O)[O-])cc2)CC1 ZINC000756380853 575727018 /nfs/dbraw/zinc/72/70/18/575727018.db2.gz GXWZAWJSTZZTID-SFHVURJKSA-N 0 1 347.503 2.808 20 10 EFCDMN C[C@H]([NH2+]C[C@H](O)COCC1CC1)c1ccc(Br)cc1[O-] ZINC000756510558 575751971 /nfs/dbraw/zinc/75/19/71/575751971.db2.gz KHOWBGRXXCJUFI-GWCFXTLKSA-N 0 1 344.249 2.593 20 10 EFCDMN C[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1cc(Br)ccc1[O-] ZINC000756510045 575752038 /nfs/dbraw/zinc/75/20/38/575752038.db2.gz GJOWEALOGYXWKA-ZWNOBZJWSA-N 0 1 344.249 2.593 20 10 EFCDMN C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc(Br)cc1[O-] ZINC000756531610 575756258 /nfs/dbraw/zinc/75/62/58/575756258.db2.gz AJNMZGKIRZUSHE-RYUDHWBXSA-N 0 1 343.265 2.526 20 10 EFCDMN C[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1cc(Br)ccc1[O-] ZINC000756545427 575758868 /nfs/dbraw/zinc/75/88/68/575758868.db2.gz MRKPSKJZVQSMOA-NEPJUHHUSA-N 0 1 343.265 2.526 20 10 EFCDMN C[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccc(Br)cc1[O-] ZINC000756562625 575762798 /nfs/dbraw/zinc/76/27/98/575762798.db2.gz HCLGGSZHWSWETR-NWDGAFQWSA-N 0 1 344.249 2.858 20 10 EFCDMN C[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccc(Br)cc1[O-] ZINC000756562630 575762842 /nfs/dbraw/zinc/76/28/42/575762842.db2.gz HCLGGSZHWSWETR-VXGBXAGGSA-N 0 1 344.249 2.858 20 10 EFCDMN CCc1nncn1CC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000756619491 575768454 /nfs/dbraw/zinc/76/84/54/575768454.db2.gz GGEMHDVDSSZXCJ-SNVBAGLBSA-N 0 1 339.237 2.659 20 10 EFCDMN CCn1cnnc1CC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000756732201 575781934 /nfs/dbraw/zinc/78/19/34/575781934.db2.gz IFBOBCBXIGEHEJ-SNVBAGLBSA-N 0 1 339.237 2.659 20 10 EFCDMN C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1cc(F)cc(F)c1[O-] ZINC000756764904 575785181 /nfs/dbraw/zinc/78/51/81/575785181.db2.gz LPVXDEVVJXZAKB-YMRXKLBXSA-N 0 1 340.414 2.699 20 10 EFCDMN CCOc1ccc(CN2CCN(Cc3cccnc3)CC2)c(O)c1 ZINC000757877337 575855041 /nfs/dbraw/zinc/85/50/41/575855041.db2.gz YYCQQKJUSNKEPU-UHFFFAOYSA-N 0 1 327.428 2.504 20 10 EFCDMN CC(=O)c1cccc(S(=O)(=O)Nc2ccc(O)cc2C(C)=O)c1 ZINC000758772604 575877274 /nfs/dbraw/zinc/87/72/74/575877274.db2.gz AARQMSFUHWRIMI-UHFFFAOYSA-N 0 1 333.365 2.598 20 10 EFCDMN C[C@@H](N[C@H](CO)CC(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000760035692 575974359 /nfs/dbraw/zinc/97/43/59/575974359.db2.gz CPNWACIUHVKMFS-NEPJUHHUSA-N 0 1 348.821 2.843 20 10 EFCDMN Cc1ccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)nc1 ZINC000761787432 576212677 /nfs/dbraw/zinc/21/26/77/576212677.db2.gz WINVTCAFOOLICA-NTEUORMPSA-N 0 1 333.482 2.685 20 10 EFCDMN COc1ccc2ccc(O)c(CN3CCC[C@@H](S(C)(=O)=O)C3)c2c1 ZINC000763379826 576374995 /nfs/dbraw/zinc/37/49/95/576374995.db2.gz GCOFEEJPXVLMGK-OAHLLOKOSA-N 0 1 349.452 2.563 20 10 EFCDMN CCN(CC)c1ccc(CN(C)C(=O)CN(C)[C@@H]2CCSC2)cc1 ZINC000763434438 576377384 /nfs/dbraw/zinc/37/73/84/576377384.db2.gz QMKQWUUJDFJXJH-GOSISDBHSA-N 0 1 349.544 2.929 20 10 EFCDMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1sccc1Br ZINC000764917053 576523285 /nfs/dbraw/zinc/52/32/85/576523285.db2.gz KALYSPFDULZUAL-NTMALXAHSA-N 0 1 349.209 2.972 20 10 EFCDMN C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccco1 ZINC000765254562 577023675 /nfs/dbraw/zinc/02/36/75/577023675.db2.gz NMVRLGAOIZCDTK-HOCLYGCPSA-N 0 1 327.428 2.832 20 10 EFCDMN CN(C)c1ccc2c(c1)OCCN2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000765657480 577063458 /nfs/dbraw/zinc/06/34/58/577063458.db2.gz KINRXHQTSFKTSG-UHFFFAOYSA-N 0 1 329.356 2.765 20 10 EFCDMN Cc1ccc([C@@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)o1 ZINC000765980834 577095070 /nfs/dbraw/zinc/09/50/70/577095070.db2.gz SMYUJSDHCXZHSZ-OAHLLOKOSA-N 0 1 348.468 2.674 20 10 EFCDMN CCN1C[C@H](C)N(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@@H]1C ZINC000766252637 577127607 /nfs/dbraw/zinc/12/76/07/577127607.db2.gz RLZAFHBNCXKEBG-KBPBESRZSA-N 0 1 336.455 2.516 20 10 EFCDMN CCN1C[C@@H](C)N(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@@H]1C ZINC000766252649 577127672 /nfs/dbraw/zinc/12/76/72/577127672.db2.gz RLZAFHBNCXKEBG-UONOGXRCSA-N 0 1 336.455 2.516 20 10 EFCDMN C[C@](O)(C1CCN(Cc2cc3c(cc2O)OCO3)CC1)C(F)(F)F ZINC000767509767 577210531 /nfs/dbraw/zinc/21/05/31/577210531.db2.gz HRNXDAGKRBOLBO-HNNXBMFYSA-N 0 1 347.333 2.646 20 10 EFCDMN C[C@@](O)(C1CCN(Cc2cc3c(cc2O)OCO3)CC1)C(F)(F)F ZINC000767509771 577210540 /nfs/dbraw/zinc/21/05/40/577210540.db2.gz HRNXDAGKRBOLBO-OAHLLOKOSA-N 0 1 347.333 2.646 20 10 EFCDMN O=[N+]([O-])c1cc(CN2CCC(CO)CC2)ccc1N1CCCCC1 ZINC000768241122 577262546 /nfs/dbraw/zinc/26/25/46/577262546.db2.gz JOFVXVOFCKLSDS-UHFFFAOYSA-N 0 1 333.432 2.789 20 10 EFCDMN CCOc1ccc(CN2CCC[C@H]2C(=O)NCc2ccco2)c(O)c1 ZINC000768249679 577262984 /nfs/dbraw/zinc/26/29/84/577262984.db2.gz ZOOOJOIVTLXRDJ-KRWDZBQOSA-N 0 1 344.411 2.665 20 10 EFCDMN Oc1cc2c(cc1CN1CCOC3(C1)CCCCCC3)[C@H](O)CO2 ZINC000768461297 577275739 /nfs/dbraw/zinc/27/57/39/577275739.db2.gz AGJVAISZDGEUJR-QGZVFWFLSA-N 0 1 333.428 2.743 20 10 EFCDMN CN(C)c1ccc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000768899480 577315205 /nfs/dbraw/zinc/31/52/05/577315205.db2.gz CEKCOBUMONFDBZ-UHFFFAOYSA-N 0 1 340.427 2.983 20 10 EFCDMN COc1cccc(O)c1CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000768902525 577315444 /nfs/dbraw/zinc/31/54/44/577315444.db2.gz WBLPPXFFZZSQAH-UHFFFAOYSA-N 0 1 343.383 2.631 20 10 EFCDMN CN(Cc1nnc2ccccn21)Cc1cccc(Br)c1O ZINC000769205585 577344271 /nfs/dbraw/zinc/34/42/71/577344271.db2.gz ZEKAZSCVANMGNE-UHFFFAOYSA-N 0 1 347.216 2.829 20 10 EFCDMN CCOc1ccc(CN(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)c(O)c1 ZINC000769482882 577365935 /nfs/dbraw/zinc/36/59/35/577365935.db2.gz KPPRMSZOPWQYDF-DOTOQJQBSA-N 0 1 341.473 2.579 20 10 EFCDMN COC(=O)c1ccc(/C=C\c2ccc(N3CCN(C)CC3)cc2)nc1 ZINC000771517049 581220051 /nfs/dbraw/zinc/22/00/51/581220051.db2.gz BLWZJTNPQZQEMJ-CLTKARDFSA-N 0 1 337.423 2.790 20 10 EFCDMN O=[N+]([O-])c1cc(CN2CCC[C@H](CO)C2)ccc1N1CCCCC1 ZINC000771929350 581261141 /nfs/dbraw/zinc/26/11/41/581261141.db2.gz XMWGGNRJCXLSLT-INIZCTEOSA-N 0 1 333.432 2.789 20 10 EFCDMN O=C(Cc1ccoc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000773407389 581427652 /nfs/dbraw/zinc/42/76/52/581427652.db2.gz LPBYSCOFSMMPMA-INIZCTEOSA-N 0 1 348.830 2.962 20 10 EFCDMN CCN1C[C@H](C)N(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C[C@@H]1C ZINC000773616072 581450685 /nfs/dbraw/zinc/45/06/85/581450685.db2.gz HGNCQDUSHTXRQA-HRCADAONSA-N 0 1 332.492 2.938 20 10 EFCDMN CCN(C)c1ccc(CN2CCN(c3cc(OC)ccn3)CC2)cc1 ZINC000773758264 581461999 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1 344.411 2.590 20 10 EFCDMN C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000736822886 600427555 /nfs/dbraw/zinc/42/75/55/600427555.db2.gz FCWVCUZSUBOGLS-HIFRSBDPSA-N 0 1 340.423 2.912 20 10 EFCDMN C[C@@H]1CN2CCC[C@H]2C[N@@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000736822886 600427556 /nfs/dbraw/zinc/42/75/56/600427556.db2.gz FCWVCUZSUBOGLS-HIFRSBDPSA-N 0 1 340.423 2.912 20 10 EFCDMN C[C@@H]1CN2CCC[C@H]2C[N@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000736822886 600427557 /nfs/dbraw/zinc/42/75/57/600427557.db2.gz FCWVCUZSUBOGLS-HIFRSBDPSA-N 0 1 340.423 2.912 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)[O-])c1O ZINC000825946590 601147182 /nfs/dbraw/zinc/14/71/82/601147182.db2.gz GEOQWSKOVLXPQW-KRWDZBQOSA-N 0 1 343.354 2.745 20 10 EFCDMN CC[N@H+]1CCC[C@@H]1CN(C)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000325700875 601201786 /nfs/dbraw/zinc/20/17/86/601201786.db2.gz UWPNYUURCHTYTP-IUCKJTJTSA-N 0 1 333.388 2.613 20 10 EFCDMN CCc1oc(C(=O)[O-])cc1C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000830374380 601411366 /nfs/dbraw/zinc/41/13/66/601411366.db2.gz DXJZSEGYJVXKMO-UHFFFAOYSA-N 0 1 344.411 2.871 20 10 EFCDMN C[N@@H+](Cc1ccc(C(=O)[O-])s1)Cc1ccc(N2CCOCC2)cc1 ZINC000830831438 601939353 /nfs/dbraw/zinc/93/93/53/601939353.db2.gz XVGOXYRPXFBYQD-UHFFFAOYSA-N 0 1 346.452 2.915 20 10 EFCDMN CN(C)c1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)[O-])cc1F ZINC000830635881 604466552 /nfs/dbraw/zinc/46/65/52/604466552.db2.gz UAVYBAHMDMUSQV-SFHVURJKSA-N 0 1 328.387 2.903 20 10 EFCDMN CN(C)c1ccc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1F ZINC000830635879 604466898 /nfs/dbraw/zinc/46/68/98/604466898.db2.gz UAVYBAHMDMUSQV-GOSISDBHSA-N 0 1 328.387 2.903 20 10 EFCDMN CCOc1ccc(O)c(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)[O-])c1 ZINC000830084387 604467033 /nfs/dbraw/zinc/46/70/33/604467033.db2.gz BMJDOIQBORLLCJ-KRWDZBQOSA-N 0 1 327.380 2.802 20 10 EFCDMN C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(C)(C)C(=O)[O-] ZINC000833695560 604628584 /nfs/dbraw/zinc/62/85/84/604628584.db2.gz RFWXPLAMFNMPMK-UHFFFAOYSA-N 0 1 335.404 2.880 20 10 EFCDMN C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000833630656 604665872 /nfs/dbraw/zinc/66/58/72/604665872.db2.gz WHZRWKBGHPYKLU-DZGCQCFKSA-N 0 1 347.415 2.738 20 10 EFCDMN C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000833630660 604666221 /nfs/dbraw/zinc/66/62/21/604666221.db2.gz WHZRWKBGHPYKLU-UKRRQHHQSA-N 0 1 347.415 2.738 20 10 EFCDMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000833506057 604764866 /nfs/dbraw/zinc/76/48/66/604764866.db2.gz RJVDHSNOBYXTBQ-SFHVURJKSA-N 0 1 334.460 2.987 20 10 EFCDMN COc1cc(O)c(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1OC ZINC000833729764 604866525 /nfs/dbraw/zinc/86/65/25/604866525.db2.gz YUYLASOANJMCDY-CYBMUJFWSA-N 0 1 337.416 2.732 20 10 EFCDMN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000833695014 605041384 /nfs/dbraw/zinc/04/13/84/605041384.db2.gz HCTKRCJDSCCUNY-IBGZPJMESA-N 0 1 340.423 2.781 20 10 EFCDMN CC[N@H+]1C[C@H](C)N(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000833659152 605119586 /nfs/dbraw/zinc/11/95/86/605119586.db2.gz YITUFQWNKMEGJI-DZTBXEGKSA-N 0 1 333.388 2.612 20 10 EFCDMN C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000850357008 1250447773 /nfs/dbraw/zinc/44/77/73/1250447773.db2.gz VZRRVWHYNZBGSC-JMERFSKESA-N 0 1 346.290 2.934 20 10 EFCDMN COC(=O)N(C)CC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000850547387 1250530362 /nfs/dbraw/zinc/53/03/62/1250530362.db2.gz FKBVLIRNFDCINY-VIFPVBQESA-N 0 1 331.210 2.504 20 10 EFCDMN CC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1nccn1C ZINC000850567898 1250541278 /nfs/dbraw/zinc/54/12/78/1250541278.db2.gz LOWDNCDWRPFMKU-SFHVURJKSA-N 0 1 328.460 2.622 20 10 EFCDMN COc1cc(CN2CCCN(c3ccc(OC)cc3)CC2)sn1 ZINC000851733027 1251233026 /nfs/dbraw/zinc/23/30/26/1251233026.db2.gz HTOSWTXOGLYJKP-UHFFFAOYSA-N 0 1 333.457 2.873 20 10 EFCDMN C[S@](=O)C1(C[NH2+]Cc2c([O-])cccc2Br)CCC1 ZINC000706804675 1251264215 /nfs/dbraw/zinc/26/42/15/1251264215.db2.gz NJZICNLTYDNJAZ-SFHVURJKSA-N 0 1 332.263 2.546 20 10 EFCDMN C(=C/N1CCCC1)\c1cccnc1-c1noc(-c2csnn2)n1 ZINC001212364546 1258027444 /nfs/dbraw/zinc/02/74/44/1258027444.db2.gz SSFQMJTYHUKSML-WEVVVXLNSA-N 0 1 326.385 2.717 20 10 EFCDMN COc1ccc(CN[C@@H]2CN(C(C)=O)CC[C@@H]2C(F)(F)F)cc1C ZINC000998229352 1259272323 /nfs/dbraw/zinc/27/23/23/1259272323.db2.gz WYBVZSZUVCFGPY-LSDHHAIUSA-N 0 1 344.377 2.893 20 10 EFCDMN CC(C)[N@@H+](CC(N)=O)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708140223 1259679170 /nfs/dbraw/zinc/67/91/70/1259679170.db2.gz JLOKTNHSQMSEEZ-UHFFFAOYSA-N 0 1 335.629 2.504 20 10 EFCDMN COc1ccc(O)c([C@@H](C)NCc2c(Br)cnn2C)c1 ZINC000710554918 1259828851 /nfs/dbraw/zinc/82/88/51/1259828851.db2.gz ZYCDHSKBVSUJTQ-SECBINFHSA-N 0 1 340.221 2.748 20 10 EFCDMN CN1CCN(Cc2cc3c(cc2O)OCO3)[C@H](c2ccccc2)C1 ZINC000054519352 1260310805 /nfs/dbraw/zinc/31/08/05/1260310805.db2.gz AXZWLWBMJQVFBB-INIZCTEOSA-N 0 1 326.396 2.610 20 10 EFCDMN CC(C)=CCNC(=O)[C@@H]1CC12CCN(Cc1ccc(O)c(O)c1)CC2 ZINC001272903346 1261296240 /nfs/dbraw/zinc/29/62/40/1261296240.db2.gz RBGATDNRLWSHTN-INIZCTEOSA-N 0 1 344.455 2.782 20 10 EFCDMN COc1cc(CN(C)[C@H]2CCCCNC2=O)c(O)c(C(C)(C)C)c1 ZINC000824645474 1278212344 /nfs/dbraw/zinc/21/23/44/1278212344.db2.gz JRJHKHFNONVBNA-INIZCTEOSA-N 0 1 334.460 2.799 20 10 EFCDMN c1cc(CNCc2ccc3c(c2)CCCO3)nc(N2CCOCC2)c1 ZINC000922013610 1264119651 /nfs/dbraw/zinc/11/96/51/1264119651.db2.gz GNRYQAPUHGZGLI-UHFFFAOYSA-N 0 1 339.439 2.533 20 10 EFCDMN COCC(=O)Nc1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000733322259 1265168329 /nfs/dbraw/zinc/16/83/29/1265168329.db2.gz FBFMYCCVNZUCHT-UHFFFAOYSA-N 0 1 334.803 2.920 20 10 EFCDMN CC(C)=CCN1CC[C@@]2(CC[N@@H+](Cc3c([O-])cccc3F)C2)C1=O ZINC001273265805 1265225749 /nfs/dbraw/zinc/22/57/49/1265225749.db2.gz LBCAGEWVWXMCGL-LJQANCHMSA-N 0 1 332.419 2.922 20 10 EFCDMN COCCOC1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824788238 1278309136 /nfs/dbraw/zinc/30/91/36/1278309136.db2.gz 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C[C@H]1C[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])CCCO1 ZINC000738163560 1268385972 /nfs/dbraw/zinc/38/59/72/1268385972.db2.gz ZKVHNPYAIBXHFW-AWEZNQCLSA-N 0 1 341.407 2.940 20 10 EFCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(N3CCOCC3)nc2)cc1Cl ZINC000825096572 1278410829 /nfs/dbraw/zinc/41/08/29/1278410829.db2.gz IBVKOQGSDGSHQM-UHFFFAOYSA-N 0 1 347.846 2.875 20 10 EFCDMN COc1cccc(C(=O)NCC[NH2+]Cc2cc(Cl)c(C)cc2[O-])c1 ZINC000825155632 1278452033 /nfs/dbraw/zinc/45/20/33/1278452033.db2.gz HRMXQVFHJFIBJP-UHFFFAOYSA-N 0 1 348.830 2.882 20 10 EFCDMN CCCCN1CC[C@@]2(CC[N@@H+](Cc3cc(F)c(F)cc3[O-])C2)C1=O ZINC001273373433 1269121819 /nfs/dbraw/zinc/12/18/19/1269121819.db2.gz BFMKRVLNDJZSQG-GOSISDBHSA-N 0 1 338.398 2.895 20 10 EFCDMN CC(C)CN1CC[C@]2(CC[N@@H+](Cc3cc(F)c(F)cc3[O-])C2)C1=O ZINC001273379597 1269298796 /nfs/dbraw/zinc/29/87/96/1269298796.db2.gz XDMLXYUNXLQLMD-SFHVURJKSA-N 0 1 338.398 2.751 20 10 EFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1Cl ZINC000825291358 1278494606 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Cc1cc([O-])c(C[NH2+]Cc2ccc3c(c2)C(=O)NCC3)cc1Cl ZINC000825509668 1278578184 /nfs/dbraw/zinc/57/81/84/1278578184.db2.gz PUCGMXHXJMOIOH-UHFFFAOYSA-N 0 1 330.815 2.930 20 10 EFCDMN CN(CC(=O)NCc1cccs1)Cc1c(O)ccc(Cl)c1F ZINC000792166511 1278604236 /nfs/dbraw/zinc/60/42/36/1278604236.db2.gz SEQQQLPEJNJAAG-UHFFFAOYSA-N 0 1 342.823 2.994 20 10 EFCDMN O=C1CCCN1[C@@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792167133 1278609122 /nfs/dbraw/zinc/60/91/22/1278609122.db2.gz AUQMNTMNFQAZTI-LLVKDONJSA-N 0 1 326.799 2.772 20 10 EFCDMN CCOC(=O)[C@@H](NCc1c(O)ccc(Cl)c1F)[C@H]1CCCOC1 ZINC000792177880 1278617897 /nfs/dbraw/zinc/61/78/97/1278617897.db2.gz ALYLRIIBXCZECM-BONVTDFDSA-N 0 1 345.798 2.633 20 10 EFCDMN CCCN(Cc1c(O)ccc(Cl)c1F)[C@H](COC)C(=O)OCC ZINC000792186727 1278626528 /nfs/dbraw/zinc/62/65/28/1278626528.db2.gz QBFRCVNNTCEOFN-CYBMUJFWSA-N 0 1 347.814 2.975 20 10 EFCDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001137832799 1271383242 /nfs/dbraw/zinc/38/32/42/1271383242.db2.gz 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O=C([C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1)N1CCCC1 ZINC000809771967 1282432313 /nfs/dbraw/zinc/43/23/13/1282432313.db2.gz RIPHMYODUPETFA-NSHDSACASA-N 0 1 326.799 2.629 20 10 EFCDMN CCOc1ccc(CN2CCN(c3ccc(F)cn3)CC2)c(O)c1 ZINC000809748883 1282448638 /nfs/dbraw/zinc/44/86/38/1282448638.db2.gz FYAUSQFVOMLUTK-UHFFFAOYSA-N 0 1 331.391 2.647 20 10 EFCDMN [O-]c1c(Br)cccc1C[N@H+]1CCCN(CC(F)F)CC1 ZINC000809755819 1282458954 /nfs/dbraw/zinc/45/89/54/1282458954.db2.gz CMVWDQLVLSCERJ-UHFFFAOYSA-N 0 1 349.219 2.928 20 10 EFCDMN C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000809765544 1282463879 /nfs/dbraw/zinc/46/38/79/1282463879.db2.gz ODABAKIHHFSSTI-SMDDNHRTSA-N 0 1 327.266 2.927 20 10 EFCDMN CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809778944 1282480267 /nfs/dbraw/zinc/48/02/67/1282480267.db2.gz YTUOHVOCIDLNLP-GFCCVEGCSA-N 0 1 328.815 2.923 20 10 EFCDMN Cn1nc(NCc2ccc(N3CCN(C)CC3)cc2)cc1C1CC1 ZINC000810165023 1283000169 /nfs/dbraw/zinc/00/01/69/1283000169.db2.gz JSFYMIYGBUOXHA-UHFFFAOYSA-N 0 1 325.460 2.661 20 10 EFCDMN CC[C@H]([NH2+]CCCS(C)(=O)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810216279 1283043411 /nfs/dbraw/zinc/04/34/11/1283043411.db2.gz SIABNBXXHYKMQH-LBPRGKRZSA-N 0 1 339.379 2.886 20 10 EFCDMN CC[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227674 1283055936 /nfs/dbraw/zinc/05/59/36/1283055936.db2.gz HCGYCESXGWKOQZ-BXKDBHETSA-N 0 1 339.379 2.885 20 10 EFCDMN CC[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228858 1283056564 /nfs/dbraw/zinc/05/65/64/1283056564.db2.gz MVHOXLLZKLTKMC-KGLIPLIRSA-N 0 1 343.349 2.919 20 10 EFCDMN CC[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228860 1283057680 /nfs/dbraw/zinc/05/76/80/1283057680.db2.gz MVHOXLLZKLTKMC-ZIAGYGMSSA-N 0 1 343.349 2.919 20 10 EFCDMN CC[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238651 1283090130 /nfs/dbraw/zinc/09/01/30/1283090130.db2.gz RRKOSTKXFQLCJY-DGFSRKRXSA-N 0 1 333.350 2.992 20 10 EFCDMN 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C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204277229 1289604527 /nfs/dbraw/zinc/60/45/27/1289604527.db2.gz WVXNMEUFGXPMOE-ZDUSSCGKSA-N 0 1 336.432 2.787 20 10 EFCDMN CN(Cc1c(C2CC2)cnn1C)Cc1ccc(N2CCOCC2)cc1 ZINC000824534997 1289686080 /nfs/dbraw/zinc/68/60/80/1289686080.db2.gz LQSBMLNBMSBHRZ-UHFFFAOYSA-N 0 1 340.471 2.766 20 10 EFCDMN CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000824576279 1289704871 /nfs/dbraw/zinc/70/48/71/1289704871.db2.gz HFZJFHRUZRZWPI-LLVKDONJSA-N 0 1 333.215 2.972 20 10 EFCDMN COCCOC1(C[NH2+]Cc2ccc3ccccc3c2[O-])CCOCC1 ZINC000824590151 1289713641 /nfs/dbraw/zinc/71/36/41/1289713641.db2.gz KWTGCGDCICDKKZ-UHFFFAOYSA-N 0 1 345.439 2.847 20 10 EFCDMN COc1ccc(N2CCC(NCc3nnc(C(C)C)[nH]3)CC2)cc1 ZINC000824602921 1289721850 /nfs/dbraw/zinc/72/18/50/1289721850.db2.gz HKWNQHLCDSXYJH-UHFFFAOYSA-N 0 1 329.448 2.695 20 10 EFCDMN COc1ccc(N2CCN(Cc3cncc4cnccc43)CC2)cc1 ZINC001232648025 1312751459 /nfs/dbraw/zinc/75/14/59/1312751459.db2.gz 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1291026434 /nfs/dbraw/zinc/02/64/34/1291026434.db2.gz AVBAJGFIJPKVES-UHFFFAOYSA-N 0 1 348.366 2.670 20 10 EFCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](N)c1cccc(OC)c1 ZINC000876873799 1291053959 /nfs/dbraw/zinc/05/39/59/1291053959.db2.gz QKZIXEVQJSPHJS-LJQANCHMSA-N 0 1 341.455 2.810 20 10 EFCDMN C[C@H]1CN(Cc2ccccc2)CCN1Cc1cc(O)c(O)c(O)c1 ZINC001233013663 1312832435 /nfs/dbraw/zinc/83/24/35/1312832435.db2.gz RSOKRKMISGAHCT-AWEZNQCLSA-N 0 1 328.412 2.510 20 10 EFCDMN C[C@H]1CN(Cc2cc(O)c(O)c(O)c2)CCN1Cc1ccccc1 ZINC001233015535 1312832455 /nfs/dbraw/zinc/83/24/55/1312832455.db2.gz QXNQKCXHBXAJQW-AWEZNQCLSA-N 0 1 328.412 2.510 20 10 EFCDMN Oc1cc(CN2CCCN(c3ccc(F)cc3)CC2)cc(O)c1O ZINC001233016367 1312832274 /nfs/dbraw/zinc/83/22/74/1312832274.db2.gz UQHMXSPCAGYLHA-UHFFFAOYSA-N 0 1 332.375 2.655 20 10 EFCDMN C[C@H](c1ccccc1)N1CCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233015751 1312832781 /nfs/dbraw/zinc/83/27/81/1312832781.db2.gz ABIOZLLACPVTKH-CQSZACIVSA-N 0 1 328.412 2.682 20 10 EFCDMN C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093384692 1291131923 /nfs/dbraw/zinc/13/19/23/1291131923.db2.gz FZRFDDIUKGIXPN-QMMMGPOBSA-N 0 1 326.245 2.564 20 10 EFCDMN C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093384692 1291131932 /nfs/dbraw/zinc/13/19/32/1291131932.db2.gz FZRFDDIUKGIXPN-QMMMGPOBSA-N 0 1 326.245 2.564 20 10 EFCDMN COC(=O)[C@@H]1CCCCCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877187845 1291158301 /nfs/dbraw/zinc/15/83/01/1291158301.db2.gz JWESRCRBJYCHTA-IBGZPJMESA-N 0 1 346.471 2.565 20 10 EFCDMN C[C@@H]1C[N@@H+](Cc2c([O-])cc(Br)cc2F)CCC[C@@H]1O ZINC001233029013 1312835939 /nfs/dbraw/zinc/83/59/39/1312835939.db2.gz YEYKCIPBOXNPPW-RNCFNFMXSA-N 0 1 332.213 2.887 20 10 EFCDMN C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1c([O-])cc(Br)cc1F ZINC001233028683 1312836018 /nfs/dbraw/zinc/83/60/18/1312836018.db2.gz SREMKERLGQMIQM-VHSXEESVSA-N 0 1 331.229 2.818 20 10 EFCDMN [O-]c1cc(Br)cc(F)c1C[N@@H+]1CCC[C@H](CO)CC1 ZINC001233028481 1312836404 /nfs/dbraw/zinc/83/64/04/1312836404.db2.gz OSJBFWIRKBNXEA-JTQLQIEISA-N 0 1 332.213 2.888 20 10 EFCDMN O=C1CCN(Cc2c(O)cc(Br)cc2F)CC[C@H]1F ZINC001233028558 1312836572 /nfs/dbraw/zinc/83/65/72/1312836572.db2.gz RFNUQXGQIGVIMR-SNVBAGLBSA-N 0 1 334.160 2.797 20 10 EFCDMN C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1c([O-])cc(Br)cc1F ZINC001233028264 1312836712 /nfs/dbraw/zinc/83/67/12/1312836712.db2.gz LMAIGKYFFJHGAQ-ZJUUUORDSA-N 0 1 332.213 2.887 20 10 EFCDMN [O-]c1cc(Br)cc(F)c1C[NH+]1CC2(C1)CCOCC2 ZINC001233031186 1312836735 /nfs/dbraw/zinc/83/67/35/1312836735.db2.gz ZHQMZLLURPZMTK-UHFFFAOYSA-N 0 1 330.197 2.906 20 10 EFCDMN [O-]c1cc(Br)cc(F)c1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC001233031515 1312837098 /nfs/dbraw/zinc/83/70/98/1312837098.db2.gz FHUCSYUQQXTBQF-JTQLQIEISA-N 0 1 332.213 2.888 20 10 EFCDMN COC(=O)C[C@@H]1CCC[N@H+]1Cc1c([O-])cc(Br)cc1F ZINC001233032321 1312837218 /nfs/dbraw/zinc/83/72/18/1312837218.db2.gz ZSSFXHAKFISHMA-JTQLQIEISA-N 0 1 346.196 2.821 20 10 EFCDMN COc1ccc(CN(C)Cc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000877325463 1291193179 /nfs/dbraw/zinc/19/31/79/1291193179.db2.gz IVOPMPRVEPKRKX-UHFFFAOYSA-N 0 1 341.455 2.683 20 10 EFCDMN CO[C@H](C)C[N@@H+](C)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000795749059 1291344880 /nfs/dbraw/zinc/34/48/80/1291344880.db2.gz DZSJBGAREPQCGX-CYBMUJFWSA-N 0 1 329.396 2.796 20 10 EFCDMN OC[C@@H]1CCC[C@@H](C(F)(F)F)N1Cc1ccc(F)c(F)c1O ZINC001233074348 1312849470 /nfs/dbraw/zinc/84/94/70/1312849470.db2.gz NXEWVMYSWRPSOY-ONGXEEELSA-N 0 1 325.277 2.948 20 10 EFCDMN CCOCc1ncn2c1C[N@H+](Cc1ccc(F)c(F)c1[O-])CCC2 ZINC001233074595 1312849530 /nfs/dbraw/zinc/84/95/30/1312849530.db2.gz LDPFIKKJOMELRK-UHFFFAOYSA-N 0 1 337.370 2.809 20 10 EFCDMN CCOCc1ncn2c1C[N@@H+](Cc1ccc(F)c(F)c1[O-])CCC2 ZINC001233074595 1312849533 /nfs/dbraw/zinc/84/95/33/1312849533.db2.gz LDPFIKKJOMELRK-UHFFFAOYSA-N 0 1 337.370 2.809 20 10 EFCDMN Oc1c(F)c(F)ccc1CN1CCn2cc(C(F)(F)F)nc2C1 ZINC001233077604 1312849699 /nfs/dbraw/zinc/84/96/99/1312849699.db2.gz UCWQPVGCNKFUCP-UHFFFAOYSA-N 0 1 333.260 2.902 20 10 EFCDMN COC(=O)CC[N@@H+](Cc1ccco1)Cc1ccc(F)c(F)c1[O-] ZINC001233077136 1312849947 /nfs/dbraw/zinc/84/99/47/1312849947.db2.gz GFSBOJDPYCWBMB-UHFFFAOYSA-N 0 1 325.311 2.829 20 10 EFCDMN Oc1c(F)c(F)ccc1CN1CCn2c(Br)cnc2C1 ZINC001233077446 1312850000 /nfs/dbraw/zinc/85/00/00/1312850000.db2.gz OZVIJXWSEATTIU-UHFFFAOYSA-N 0 1 344.159 2.645 20 10 EFCDMN O=C([C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1)N1CCCCC1 ZINC001233077280 1312850013 /nfs/dbraw/zinc/85/00/13/1312850013.db2.gz HPEOOSDEKFZIBO-AWEZNQCLSA-N 0 1 338.398 2.895 20 10 EFCDMN CCOC[C@@H]1Cn2nccc2C[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001233077418 1312850021 /nfs/dbraw/zinc/85/00/21/1312850021.db2.gz PEBYHWJKZRHSOM-LBPRGKRZSA-N 0 1 337.370 2.535 20 10 EFCDMN CCOC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001233077418 1312850024 /nfs/dbraw/zinc/85/00/24/1312850024.db2.gz PEBYHWJKZRHSOM-LBPRGKRZSA-N 0 1 337.370 2.535 20 10 EFCDMN CC(C)(C)OC(=O)N1CC2(C1)C[NH+](Cc1ccc(F)c(F)c1[O-])C2 ZINC001233075945 1312850237 /nfs/dbraw/zinc/85/02/37/1312850237.db2.gz FUCVNQYHJQOSTB-UHFFFAOYSA-N 0 1 340.370 2.723 20 10 EFCDMN CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3[O-])C[C@H]21 ZINC001233078881 1312850570 /nfs/dbraw/zinc/85/05/70/1312850570.db2.gz MRLBMYAZPJXYJP-WCQYABFASA-N 0 1 340.370 2.722 20 10 EFCDMN Oc1c(CN2Cc3cnn(C4CCOCC4)c3C2)ccc(F)c1F ZINC001233079152 1312850879 /nfs/dbraw/zinc/85/08/79/1312850879.db2.gz XRSSVMZWZICTJL-UHFFFAOYSA-N 0 1 335.354 2.734 20 10 EFCDMN Cc1ccnc(O[C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)n1 ZINC001233079468 1312850970 /nfs/dbraw/zinc/85/09/70/1312850970.db2.gz DSSRVFHPFCVJOC-CYBMUJFWSA-N 0 1 335.354 2.812 20 10 EFCDMN Cc1cnc(O[C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)nc1 ZINC001233080570 1312851812 /nfs/dbraw/zinc/85/18/12/1312851812.db2.gz WVILVKJXFNWQPN-ZDUSSCGKSA-N 0 1 335.354 2.812 20 10 EFCDMN CC(C)N(CC(=O)Nc1ccccn1)Cc1ccc(N(C)C)cc1 ZINC000877977855 1291435274 /nfs/dbraw/zinc/43/52/74/1291435274.db2.gz WVLQBNVXWJBPDW-UHFFFAOYSA-N 0 1 326.444 2.997 20 10 EFCDMN O=C1c2ccccc2C(=O)c2c(NS(=O)(=O)CC3CC3)cccc21 ZINC001188926944 1291504697 /nfs/dbraw/zinc/50/46/97/1291504697.db2.gz PLVYOVMEMDKIEM-UHFFFAOYSA-N 0 1 341.388 2.614 20 10 EFCDMN COc1cc(O)c(C[N@H+]2CCCC[C@H](O)C2)cc1Br ZINC001233135589 1312863080 /nfs/dbraw/zinc/86/30/80/1312863080.db2.gz VUSCKSFYLLRBBQ-NSHDSACASA-N 0 1 330.222 2.510 20 10 EFCDMN COc1cc([O-])c(C[N@@H+]2CCCC[C@H](O)C2)cc1Br ZINC001233135589 1312863083 /nfs/dbraw/zinc/86/30/83/1312863083.db2.gz VUSCKSFYLLRBBQ-NSHDSACASA-N 0 1 330.222 2.510 20 10 EFCDMN COc1cc([O-])c(C[N@H+]2CCCC[C@H](O)C2)cc1Br ZINC001233135589 1312863086 /nfs/dbraw/zinc/86/30/86/1312863086.db2.gz VUSCKSFYLLRBBQ-NSHDSACASA-N 0 1 330.222 2.510 20 10 EFCDMN COc1cc(O)c(C[N@H+]2CCC[C@H](O)[C@H](C)C2)cc1Br ZINC001233135416 1312863322 /nfs/dbraw/zinc/86/33/22/1312863322.db2.gz SLDQMYNOEDGFAP-MFKMUULPSA-N 0 1 344.249 2.756 20 10 EFCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@H](O)[C@H](C)C2)cc1Br ZINC001233135416 1312863325 /nfs/dbraw/zinc/86/33/25/1312863325.db2.gz SLDQMYNOEDGFAP-MFKMUULPSA-N 0 1 344.249 2.756 20 10 EFCDMN COc1cc([O-])c(C[N@H+]2CCC[C@H](O)[C@H](C)C2)cc1Br ZINC001233135416 1312863328 /nfs/dbraw/zinc/86/33/28/1312863328.db2.gz SLDQMYNOEDGFAP-MFKMUULPSA-N 0 1 344.249 2.756 20 10 EFCDMN CCN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CN(CC(C)C)C1 ZINC000957442521 1291570897 /nfs/dbraw/zinc/57/08/97/1291570897.db2.gz DQZSAWCCAFZQOT-UHFFFAOYSA-N 0 1 331.420 2.651 20 10 EFCDMN COc1cc(O)c(CN2CC[C@H](C(C)=O)C2)cc1Br ZINC001233141244 1312865075 /nfs/dbraw/zinc/86/50/75/1312865075.db2.gz HQZKDHHBIKZXSD-JTQLQIEISA-N 0 1 328.206 2.574 20 10 EFCDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000878530898 1291703851 /nfs/dbraw/zinc/70/38/51/1291703851.db2.gz ANFABZBPTLPERX-APPDUMDISA-N 0 1 330.407 2.597 20 10 EFCDMN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000878863780 1291833114 /nfs/dbraw/zinc/83/31/14/1291833114.db2.gz FOAWKZJYBAMYEI-XIKOKIGWSA-N 0 1 326.444 2.766 20 10 EFCDMN CCOC(=O)c1c(CN2CC[C@@H](O)[C@H](F)CC2)c2ccccc2n1C ZINC001233270593 1312890018 /nfs/dbraw/zinc/89/00/18/1312890018.db2.gz SPKTTWKKNXULJI-NVXWUHKLSA-N 0 1 348.418 2.650 20 10 EFCDMN CCOC(=O)c1c(CN2C[C@H](O)CC[C@H]2C)c2ccccc2n1C ZINC001233270385 1312890261 /nfs/dbraw/zinc/89/02/61/1312890261.db2.gz LWCNUCATCKHVDE-ZIAGYGMSSA-N 0 1 330.428 2.700 20 10 EFCDMN CCOC(=O)c1c(CN2CC([C@@H](C)OC)C2)c2ccccc2n1C ZINC001233273167 1312891329 /nfs/dbraw/zinc/89/13/29/1312891329.db2.gz QJWGEKIQNBFYKG-CYBMUJFWSA-N 0 1 330.428 2.822 20 10 EFCDMN CC(C)(C)c1ccc(O)c(CN2CCN(c3cccnn3)CC2)c1 ZINC001233286112 1312895042 /nfs/dbraw/zinc/89/50/42/1312895042.db2.gz GCVOQISIGAGJDA-UHFFFAOYSA-N 0 1 326.444 2.802 20 10 EFCDMN CC(C)(C)c1ccc(O)c(CN2Cc3ccnn3CC[C@@H]2CO)c1 ZINC001233286970 1312895550 /nfs/dbraw/zinc/89/55/50/1312895550.db2.gz QRICLPFAMVDWNE-QGZVFWFLSA-N 0 1 329.444 2.653 20 10 EFCDMN COc1cc(Cl)cc(CN2CCC[C@]3(CCC(=O)O3)C2)c1O ZINC001233290614 1312896798 /nfs/dbraw/zinc/89/67/98/1312896798.db2.gz NJSURVJRSVHDJI-INIZCTEOSA-N 0 1 325.792 2.726 20 10 EFCDMN CCOC(=O)NC1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC001233291264 1312897537 /nfs/dbraw/zinc/89/75/37/1312897537.db2.gz STHQXDUIKFOXFS-UHFFFAOYSA-N 0 1 342.823 2.765 20 10 EFCDMN [O-]c1ccc(F)c(F)c1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC001233332166 1312904488 /nfs/dbraw/zinc/90/44/88/1312904488.db2.gz BBNCDEDGRRKYBP-CYBMUJFWSA-N 0 1 325.277 2.950 20 10 EFCDMN CC(C)Oc1ncnc2c1CC[N@@H+](Cc1c([O-])ccc(F)c1F)CC2 ZINC001233332896 1312904703 /nfs/dbraw/zinc/90/47/03/1312904703.db2.gz BINRXJLKTPJSES-UHFFFAOYSA-N 0 1 349.381 2.848 20 10 EFCDMN CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001233333077 1312904894 /nfs/dbraw/zinc/90/48/94/1312904894.db2.gz IXRJLPUWCQVOTG-YVEFUNNKSA-N 0 1 327.371 2.830 20 10 EFCDMN O=C1CC[C@H]2[C@H](CC[N@@H+]2Cc2c([O-])ccc(F)c2F)N1CC1CC1 ZINC001233332874 1312905522 /nfs/dbraw/zinc/90/55/22/1312905522.db2.gz ARCGKHHODKGQMN-GJZGRUSLSA-N 0 1 336.382 2.646 20 10 EFCDMN CC[NH+](CC)CCCN1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233335443 1312906187 /nfs/dbraw/zinc/90/61/87/1312906187.db2.gz VNPRWKMJMWGEQV-UHFFFAOYSA-N 0 1 341.446 2.520 20 10 EFCDMN [O-]c1c(C[N@H+]2CC[C@H](Oc3ncccn3)C2)cccc1C(F)(F)F ZINC001233419764 1312928860 /nfs/dbraw/zinc/92/88/60/1312928860.db2.gz LRCZPFDCFWJWPP-LBPRGKRZSA-N 0 1 339.317 2.854 20 10 EFCDMN CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233453139 1312934919 /nfs/dbraw/zinc/93/49/19/1312934919.db2.gz WTJUNILDBDZGFB-INIZCTEOSA-N 0 1 342.361 2.998 20 10 EFCDMN CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233453139 1312934922 /nfs/dbraw/zinc/93/49/22/1312934922.db2.gz WTJUNILDBDZGFB-INIZCTEOSA-N 0 1 342.361 2.998 20 10 EFCDMN CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233455297 1312935879 /nfs/dbraw/zinc/93/58/79/1312935879.db2.gz FDCLPBNPSWQHNT-CYBMUJFWSA-N 0 1 345.365 2.647 20 10 EFCDMN CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233455297 1312935882 /nfs/dbraw/zinc/93/58/82/1312935882.db2.gz FDCLPBNPSWQHNT-CYBMUJFWSA-N 0 1 345.365 2.647 20 10 EFCDMN CCC(C)(C)NC(=O)[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000128557466 1292586830 /nfs/dbraw/zinc/58/68/30/1292586830.db2.gz YTUHNLZLRHNYNB-INIZCTEOSA-N 0 1 347.503 2.648 20 10 EFCDMN Cc1cccc(C)c1N1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233487187 1312940303 /nfs/dbraw/zinc/94/03/03/1312940303.db2.gz TXNNCJBPTROARO-UHFFFAOYSA-N 0 1 328.412 2.742 20 10 EFCDMN Cc1cccc(OC2CCN(Cc3cc(O)c(O)cc3O)CC2)n1 ZINC001233487594 1312941421 /nfs/dbraw/zinc/94/14/21/1312941421.db2.gz KGHMZALBWOWPEW-UHFFFAOYSA-N 0 1 330.384 2.550 20 10 EFCDMN Cc1cccnc1OC1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233487407 1312941581 /nfs/dbraw/zinc/94/15/81/1312941581.db2.gz CCASGJCCCQCOIH-UHFFFAOYSA-N 0 1 330.384 2.550 20 10 EFCDMN COc1cc(OC)c(CN2CCc3cccc(O)c3C2)c(OC)c1 ZINC001203517142 1312943722 /nfs/dbraw/zinc/94/37/22/1312943722.db2.gz KBWCLQGDAQGVFW-UHFFFAOYSA-N 0 1 329.396 2.976 20 10 EFCDMN CCNCc1cn(CC(=O)c2cc(C)n(-c3ccccc3)c2C)nn1 ZINC000880981944 1292709834 /nfs/dbraw/zinc/70/98/34/1292709834.db2.gz GGNLPNJEADNVNL-UHFFFAOYSA-N 0 1 337.427 2.678 20 10 EFCDMN CC[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1cc(Cl)ccc1[O-] ZINC000775497793 1292754213 /nfs/dbraw/zinc/75/42/13/1292754213.db2.gz ULYPUZBFFZBOGL-JSGCOSHPSA-N 0 1 346.880 2.510 20 10 EFCDMN Oc1ccccc1CN1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC001203551666 1312954357 /nfs/dbraw/zinc/95/43/57/1312954357.db2.gz JZYCVGFWMGUBRV-YSIASYRMSA-N 0 1 340.423 2.736 20 10 EFCDMN Oc1ccccc1CN1CCO[C@]2(CCCN(c3cccnc3)C2)C1 ZINC001203551798 1312954717 /nfs/dbraw/zinc/95/47/17/1312954717.db2.gz OONLHSHQJIYFQQ-HXUWFJFHSA-N 0 1 339.439 2.659 20 10 EFCDMN Oc1ccccc1CN1CCO[C@@]2(CCCN(c3cccnc3)C2)C1 ZINC001203551797 1312954745 /nfs/dbraw/zinc/95/47/45/1312954745.db2.gz OONLHSHQJIYFQQ-FQEVSTJZSA-N 0 1 339.439 2.659 20 10 EFCDMN [O-]c1c(Cl)cc(Cl)cc1CN1CCC([NH+]2CCOCC2)CC1 ZINC001203571465 1312960127 /nfs/dbraw/zinc/96/01/27/1312960127.db2.gz MDEJGSWUBNCZJR-UHFFFAOYSA-N 0 1 345.270 2.996 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0 1 327.705 2.931 20 10 EFCDMN [O-]c1c(Br)cccc1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000245695385 1300730161 /nfs/dbraw/zinc/73/01/61/1300730161.db2.gz BCTKCLVYYPWDLB-OLZOCXBDSA-N 0 1 344.274 2.861 20 10 EFCDMN [O-]c1cccc(Br)c1C[NH2+]CCCNc1ncccn1 ZINC001329389058 1330701414 /nfs/dbraw/zinc/70/14/14/1330701414.db2.gz IYFIXNLCSWXALW-UHFFFAOYSA-N 0 1 337.221 2.537 20 10 EFCDMN Cc1cc(F)cc(CN2CCN(c3ccc(Cl)nn3)CC2)c1O ZINC001238065777 1313754176 /nfs/dbraw/zinc/75/41/76/1313754176.db2.gz ATANTTHOOSHGEY-UHFFFAOYSA-N 0 1 336.798 2.605 20 10 EFCDMN Cc1cc(F)cc(CN2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC001238066670 1313755162 /nfs/dbraw/zinc/75/51/62/1313755162.db2.gz IQIGIDSNFVAGBW-DZGCQCFKSA-N 0 1 336.407 2.891 20 10 EFCDMN C[C@H](C(=O)NC(C)(C)C)N(C)Cc1ccc(Br)cc1O ZINC000825556175 1301621470 /nfs/dbraw/zinc/62/14/70/1301621470.db2.gz OGKOAJUQIUYEIK-SNVBAGLBSA-N 0 1 343.265 2.890 20 10 EFCDMN C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000825556175 1301621482 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CCOC[C@@H]1CN(Cc2c(C)cc(C)cc2O)Cc2c1cnn2C ZINC001231843901 1312572854 /nfs/dbraw/zinc/57/28/54/1312572854.db2.gz HGPHBTNLXVAINC-HNNXBMFYSA-N 0 1 329.444 2.878 20 10 EFCDMN CCOC[C@H]1CN(Cc2c(C)cc(C)cc2O)Cc2ncn(C)c21 ZINC001231845313 1312573522 /nfs/dbraw/zinc/57/35/22/1312573522.db2.gz XFXVPHFSJVAYTI-OAHLLOKOSA-N 0 1 329.444 2.878 20 10 EFCDMN COc1cc(N(C)C)ccc1CN1CC[C@@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001231849733 1312574507 /nfs/dbraw/zinc/57/45/07/1312574507.db2.gz XOEKLPMPHBBXRK-LRDDRELGSA-N 0 1 346.393 2.896 20 10 EFCDMN CCN(C(C)=O)C1CCN(Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231854528 1312575312 /nfs/dbraw/zinc/57/53/12/1312575312.db2.gz FEJXILAUNFWJAR-UHFFFAOYSA-N 0 1 333.476 2.594 20 10 EFCDMN COc1cc(N(C)C)ccc1CN1CCC(c2nnc(C)o2)CC1 ZINC001231855622 1312575488 /nfs/dbraw/zinc/57/54/88/1312575488.db2.gz XHPVPYBQHGZYIQ-UHFFFAOYSA-N 0 1 330.432 2.832 20 10 EFCDMN COc1cc(N(C)C)ccc1CN1CC[C@@H](Oc2ncc(C)cn2)C1 ZINC001231858339 1312575646 /nfs/dbraw/zinc/57/56/46/1312575646.db2.gz 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EFCDMN CN(C)CCNC(=S)Nc1cccc2c1C(=O)c1ccccc1-2 ZINC001249841248 1315145625 /nfs/dbraw/zinc/14/56/25/1315145625.db2.gz OQMDXXLUHJTWON-UHFFFAOYSA-N 0 1 325.437 2.746 20 10 EFCDMN Nc1cc(F)ccc1S(=O)(=O)Nc1cc(Cl)c(O)cc1F ZINC001250025050 1315168496 /nfs/dbraw/zinc/16/84/96/1315168496.db2.gz ARHKGOVETPEXNF-UHFFFAOYSA-N 0 1 334.731 2.707 20 10 EFCDMN Cc1cc(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c(O)cc1Br ZINC001250133712 1315177549 /nfs/dbraw/zinc/17/75/49/1315177549.db2.gz QNRFCDRQGOIITE-SMDDNHRTSA-N 0 1 325.250 2.599 20 10 EFCDMN C[C@@H]1C[NH2+]CC[C@@H]1Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001218421378 1315193329 /nfs/dbraw/zinc/19/33/29/1315193329.db2.gz WBQBNJIFQIOWTP-BZNIZROVSA-N 0 1 337.375 2.544 20 10 EFCDMN Cc1c([O-])cc2c(c1O[C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)C(=O)c1ccccc1C2=O ZINC001218480040 1315203057 /nfs/dbraw/zinc/20/30/57/1315203057.db2.gz YPUZKCSKZZGDGJ-UXEPBGEESA-N 0 1 349.386 2.748 20 10 EFCDMN CC(C)(C)OC[C@H](N)C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001218957875 1315264801 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CCOC(=O)CC[C@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC001258480932 1316154544 /nfs/dbraw/zinc/15/45/44/1316154544.db2.gz AVTCBTVVPNODSV-JTQLQIEISA-N 0 1 330.222 2.976 20 10 EFCDMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc(O)c(C(C)=O)c1 ZINC001260297421 1316330055 /nfs/dbraw/zinc/33/00/55/1316330055.db2.gz DDCHAZONWXFUSK-UHFFFAOYSA-N 0 1 335.381 2.713 20 10 EFCDMN CCN(C)c1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1 ZINC001260388958 1316337116 /nfs/dbraw/zinc/33/71/16/1316337116.db2.gz KNFOWYXRFJOVOV-UHFFFAOYSA-N 0 1 348.453 2.948 20 10 EFCDMN CN(C)[C@H](CNC(=O)NCc1ccc(N)cc1)c1cccc(F)c1 ZINC001262560145 1316471855 /nfs/dbraw/zinc/47/18/55/1316471855.db2.gz IEMQPOXUTXNVIY-QGZVFWFLSA-N 0 1 330.407 2.510 20 10 EFCDMN Cc1cc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)[nH]n1 ZINC001318620355 1328653815 /nfs/dbraw/zinc/65/38/15/1328653815.db2.gz AEGJBCNCOFZOPA-ZIAGYGMSSA-N 0 1 332.423 2.761 20 10 EFCDMN COc1ccc(N2CCN(C(=O)c3cnc(C(C)C)[nH]3)CC2)cc1 ZINC001319181399 1328798836 /nfs/dbraw/zinc/79/88/36/1328798836.db2.gz ZVCJLPUFGFEGTH-UHFFFAOYSA-N 0 1 328.416 2.504 20 10 EFCDMN O=C([O-])c1cnn2c1[nH]c(C[N@@H+](CC1CC1)C1CCCCC1)cc2=O ZINC000738703237 1321980082 /nfs/dbraw/zinc/98/00/82/1321980082.db2.gz NYANEHCTMOHPCK-UHFFFAOYSA-N 0 1 344.415 2.678 20 10 EFCDMN CC(C)CNC(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC001320423735 1329128691 /nfs/dbraw/zinc/12/86/91/1329128691.db2.gz AWXOPFBVTGTFLI-JTQLQIEISA-N 0 1 329.238 2.578 20 10 EFCDMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1coc(-c2ccccc2)n1 ZINC000749891552 1324671330 /nfs/dbraw/zinc/67/13/30/1324671330.db2.gz MSUHNRBPIVNPMO-WJDWOHSUSA-N 0 1 331.331 2.803 20 10 EFCDMN CN1CCN(c2ccc(C[NH2+][C@]3(C)CCCC[C@@H]3C(=O)[O-])cc2)CC1 ZINC000901825007 1324758394 /nfs/dbraw/zinc/75/83/94/1324758394.db2.gz UJEGYBDTGFXIJB-UYAOXDASSA-N 0 1 345.487 2.562 20 10 EFCDMN CN(C)c1ccc(C[N@H+]2CCOc3ccccc3[C@H]2C(=O)[O-])cc1 ZINC000903925519 1324856835 /nfs/dbraw/zinc/85/68/35/1324856835.db2.gz AQKNVPIKHKAQKX-SFHVURJKSA-N 0 1 326.396 2.773 20 10 EFCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccn(-c2ccncc2)n1 ZINC001320800373 1329303781 /nfs/dbraw/zinc/30/37/81/1329303781.db2.gz NGNVNXOFSYMHGC-UHFFFAOYSA-N 0 1 349.438 2.996 20 10 EFCDMN C[C@H](NC(=O)c1ccn(-c2ccncc2)n1)c1ccc(N(C)C)cc1 ZINC001320805185 1329304386 /nfs/dbraw/zinc/30/43/86/1329304386.db2.gz RENKNIHGDJODGZ-AWEZNQCLSA-N 0 1 335.411 2.824 20 10 EFCDMN Cc1cc(C(=O)NC2CC[NH+](Cc3c([O-])cccc3Cl)CC2)no1 ZINC001324732625 1329654591 /nfs/dbraw/zinc/65/45/91/1329654591.db2.gz WSMPLRAXWANZHM-UHFFFAOYSA-N 0 1 349.818 2.736 20 10 EFCDMN CCOc1ccc(N2CCN(CC3(CC(=O)OC)CC3)CC2)cc1 ZINC001325147378 1329673393 /nfs/dbraw/zinc/67/33/93/1329673393.db2.gz WIAPHRFYFJQZQD-UHFFFAOYSA-N 0 1 332.444 2.551 20 10 EFCDMN CN(C)c1ncccc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001325601269 1329700247 /nfs/dbraw/zinc/70/02/47/1329700247.db2.gz UXJWSCYWHVPHLN-UHFFFAOYSA-N 0 1 340.471 2.616 20 10 EFCDMN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccnc1N(C)C ZINC001325601269 1329700249 /nfs/dbraw/zinc/70/02/49/1329700249.db2.gz UXJWSCYWHVPHLN-UHFFFAOYSA-N 0 1 340.471 2.616 20 10 EFCDMN COc1ccc(N(C)CCN(C)Cc2cccnc2N(C)C)cc1 ZINC001327306176 1330455862 /nfs/dbraw/zinc/45/58/62/1330455862.db2.gz VMDDMRWUDDPGJQ-UHFFFAOYSA-N 0 1 328.460 2.724 20 10 EFCDMN CC(C)c1noc(CC[NH2+]Cc2c([O-])cccc2Br)n1 ZINC001328921764 1330646525 /nfs/dbraw/zinc/64/65/25/1330646525.db2.gz LBLSHHLTWIPTFS-UHFFFAOYSA-N 0 1 340.221 2.993 20 10 EFCDMN Cc1nc([C@@H](C)NC(=O)NCc2cc(Cl)cc(Cl)c2O)no1 ZINC001329247815 1330686052 /nfs/dbraw/zinc/68/60/52/1330686052.db2.gz JAJPJDBYABKPHY-ZCFIWIBFSA-N 0 1 345.186 2.951 20 10 EFCDMN CCc1nc([C@@H](C)NCc2c(O)cccc2Br)n[nH]1 ZINC001331269591 1330813020 /nfs/dbraw/zinc/81/30/20/1330813020.db2.gz BPUHMNHXIMAYBW-MRVPVSSYSA-N 0 1 325.210 2.686 20 10 EFCDMN CCOc1ccc(CN2CCN(Cc3ccc(N)cc3)CC2)cc1 ZINC001334775304 1331305071 /nfs/dbraw/zinc/30/50/71/1331305071.db2.gz VMQGTKLNLJBAPC-UHFFFAOYSA-N 0 1 325.456 2.985 20 10 EFCDMN CCN(CC)c1ccc(CNC(=O)c2coc([C@@H]3CCCN3)n2)cc1 ZINC001341658097 1332274667 /nfs/dbraw/zinc/27/46/67/1332274667.db2.gz DTDPTNMUHTXOMF-INIZCTEOSA-N 0 1 342.443 2.875 20 10 EFCDMN O=C(NC1CC1)[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001347701756 1332767605 /nfs/dbraw/zinc/76/76/05/1332767605.db2.gz MIOYFYZJBJGZJQ-SNVBAGLBSA-N 0 1 326.799 2.675 20 10 EFCDMN CCn1cccc(C[NH2+]Cc2c([O-])cccc2Br)c1=O ZINC001351331569 1333212887 /nfs/dbraw/zinc/21/28/87/1333212887.db2.gz XPQPHDPOJBZQJJ-UHFFFAOYSA-N 0 1 337.217 2.626 20 10 EFCDMN C[C@@H](Cc1cnc[nH]1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000847604692 1333985941 /nfs/dbraw/zinc/98/59/41/1333985941.db2.gz PKPVKPDDRYFBAJ-YOEHRIQHSA-N 0 1 343.427 2.502 20 10 EFCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1conc1C(C)(C)N ZINC000848427439 1334717647 /nfs/dbraw/zinc/71/76/47/1334717647.db2.gz NCYLTELYCVRPIN-UHFFFAOYSA-N 0 1 330.432 2.597 20 10 EFCDMN C[C@H](N[C@@H]1CCCn2ccnc21)c1ccc(N2CCOCC2)cc1 ZINC000848526783 1334775568 /nfs/dbraw/zinc/77/55/68/1334775568.db2.gz HOUZBQDTFOUUOG-MAUKXSAKSA-N 0 1 326.444 2.905 20 10 EFCDMN COc1ccc(N2CCN(Cc3ccc(N)cc3)CC2)c(OC)c1 ZINC001356083597 1334950585 /nfs/dbraw/zinc/95/05/85/1334950585.db2.gz UJQFYBCPUUGNEH-UHFFFAOYSA-N 0 1 327.428 2.608 20 10 EFCDMN CCc1nsc(N2CCN(Cc3cccc(CC)c3O)CC2)n1 ZINC000848887923 1334962743 /nfs/dbraw/zinc/96/27/43/1334962743.db2.gz IHINOMOQUXIGII-UHFFFAOYSA-N 0 1 332.473 2.691 20 10 EFCDMN CCc1cccc(CN[C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)c1O ZINC000848899810 1334970973 /nfs/dbraw/zinc/97/09/73/1334970973.db2.gz TZCTZCDQIVACPX-ZDUSSCGKSA-N 0 1 342.403 2.610 20 10 EFCDMN CCc1cccc(CN2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)c1O ZINC000848907081 1334976962 /nfs/dbraw/zinc/97/69/62/1334976962.db2.gz IDHDQAFPZUZICB-KRWDZBQOSA-N 0 1 331.460 2.532 20 10 EFCDMN CCc1cccc(CN(CCOC)Cc2c(C)nn(C)c2C)c1O ZINC000848913884 1334982859 /nfs/dbraw/zinc/98/28/59/1334982859.db2.gz AOZXKODRWOLYDR-UHFFFAOYSA-N 0 1 331.460 2.954 20 10 EFCDMN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000935943791 1335463830 /nfs/dbraw/zinc/46/38/30/1335463830.db2.gz DWOPNUIVEIEYFW-MEDUHNTESA-N 0 1 334.416 2.583 20 10 EFCDMN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000935943790 1335463835 /nfs/dbraw/zinc/46/38/35/1335463835.db2.gz DWOPNUIVEIEYFW-BZNIZROVSA-N 0 1 334.416 2.583 20 10 EFCDMN COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000826210107 1424247543 /nfs/dbraw/zinc/24/75/43/1424247543.db2.gz DQJNKNMVZPEXHX-SNVBAGLBSA-N 0 1 343.362 2.571 20 10 EFCDMN Cc1cc([C@H](C)NCC(=O)NCc2ccc(N(C)C)cc2)c(C)o1 ZINC000183813071 1426342181 /nfs/dbraw/zinc/34/21/81/1426342181.db2.gz JFNIOVVBHVASCS-AWEZNQCLSA-N 0 1 329.444 2.929 20 10 EFCDMN CN(C)c1ccc([C@@H](CNC(=O)c2ccc([O-])c(F)c2)[NH+](C)C)cc1 ZINC000891246703 714133647 /nfs/dbraw/zinc/13/36/47/714133647.db2.gz CDJXHPWLRCPXFZ-QGZVFWFLSA-N 0 1 345.418 2.630 20 10 EFCDMN CC(C)(C[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1)C(N)=O ZINC000894878010 722934270 /nfs/dbraw/zinc/93/42/70/722934270.db2.gz OVTUYQSFWCJXRO-LLVKDONJSA-N 0 1 326.387 2.784 20 10 EFCDMN C[C@@H]1CCC[C@]1(C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000893607882 717371761 /nfs/dbraw/zinc/37/17/61/717371761.db2.gz MDXCBIUHKROJFO-UZLBHIALSA-N 0 1 329.488 2.881 20 10 EFCDMN COCCOc1ncccc1CNCc1ccc(N(C)C)cc1C ZINC000840930927 717441713 /nfs/dbraw/zinc/44/17/13/717441713.db2.gz PUKMILHNEHBOLT-UHFFFAOYSA-N 0 1 329.444 2.771 20 10 EFCDMN COc1cc(Br)cc(CN2CCC(C)(O)CC2)c1O ZINC000179722678 717861566 /nfs/dbraw/zinc/86/15/66/717861566.db2.gz YQMHKYCPJMUZAA-UHFFFAOYSA-N 0 1 330.222 2.510 20 10 EFCDMN Cc1ccc(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)c(O)c1O ZINC000177674004 718162153 /nfs/dbraw/zinc/16/21/53/718162153.db2.gz BUPXROGIWBWBSA-OAHLLOKOSA-N 0 1 332.375 2.578 20 10 EFCDMN Cc1cc(F)ncc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000892620865 718350148 /nfs/dbraw/zinc/35/01/48/718350148.db2.gz FXWANGINEKHXSS-UHFFFAOYSA-N 0 1 333.382 2.795 20 10 EFCDMN COC(=O)N1CC(N[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000181468580 718733071 /nfs/dbraw/zinc/73/30/71/718733071.db2.gz DFULTWHNBOQIDV-ZDUSSCGKSA-N 0 1 335.423 2.917 20 10 EFCDMN CC[C@H]([NH2+]C[C@@](C)(O)COC)c1cc(Br)ccc1[O-] ZINC000382565538 718961778 /nfs/dbraw/zinc/96/17/78/718961778.db2.gz NXBUINDRRPKTLE-GXTWGEPZSA-N 0 1 332.238 2.593 20 10 EFCDMN O=[N+]([O-])c1ccc(N2CCN(Cc3cc(F)ccc3O)CC2)cc1 ZINC000179875968 719866264 /nfs/dbraw/zinc/86/62/64/719866264.db2.gz VOKHRBXUHDQSLG-UHFFFAOYSA-N 0 1 331.347 2.762 20 10 EFCDMN COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000893917055 720159510 /nfs/dbraw/zinc/15/95/10/720159510.db2.gz ORGIISRNGYEHQO-SECBINFHSA-N 0 1 346.196 2.679 20 10 EFCDMN NC(=O)c1ccc(C[N@@H+](Cc2cc(F)cc(F)c2[O-])C2CC2)cc1 ZINC000893945785 720177482 /nfs/dbraw/zinc/17/74/82/720177482.db2.gz GYYSFXCCMDUWAR-UHFFFAOYSA-N 0 1 332.350 2.934 20 10 EFCDMN CCC(CC)C(=O)N1CCN(Cc2cc(F)cc(F)c2O)CC1 ZINC000893945626 720177708 /nfs/dbraw/zinc/17/77/08/720177708.db2.gz DLVVOTJRKAPMLK-UHFFFAOYSA-N 0 1 326.387 2.751 20 10 EFCDMN CC(C)(C)OC(=O)CC[NH2+]Cc1c([O-])cccc1Br ZINC000858144052 720203645 /nfs/dbraw/zinc/20/36/45/720203645.db2.gz FFLARDODCLBSFK-UHFFFAOYSA-N 0 1 330.222 2.976 20 10 EFCDMN CN(Cc1ccc(S(C)(=O)=O)cc1)Cc1cc(F)cc(F)c1O ZINC000894043306 720245092 /nfs/dbraw/zinc/24/50/92/720245092.db2.gz RWYXGSTYWLTZRV-UHFFFAOYSA-N 0 1 341.379 2.706 20 10 EFCDMN CC[C@H](F)CN1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028344863 720530274 /nfs/dbraw/zinc/53/02/74/720530274.db2.gz QCQJAPAQBOKXRU-ZFWWWQNUSA-N 0 1 349.410 2.791 20 10 EFCDMN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1NCCc2ccccc21 ZINC000178711162 720565588 /nfs/dbraw/zinc/56/55/88/720565588.db2.gz OAZUAUGAUFMBKK-FQEVSTJZSA-N 0 1 335.451 2.790 20 10 EFCDMN COC(=O)c1cc(CNCc2ccc(N3CCOCC3)cc2)cs1 ZINC000894199771 721193552 /nfs/dbraw/zinc/19/35/52/721193552.db2.gz FUEJJXBIRRCSPZ-UHFFFAOYSA-N 0 1 346.452 2.661 20 10 EFCDMN C[C@H]([NH2+]Cc1ccc(Br)cc1[O-])[C@H](O)C(F)(F)F ZINC000877693615 721203348 /nfs/dbraw/zinc/20/33/48/721203348.db2.gz LXAFPACUIGPKAL-WKEGUHRASA-N 0 1 328.128 2.556 20 10 EFCDMN Cc1ccccc1[C@@H]1C(=O)NCCN1Cc1cc(F)cc(F)c1O ZINC000894464900 722744719 /nfs/dbraw/zinc/74/47/19/722744719.db2.gz UOSIKJPKHLQGTH-MRXNPFEDSA-N 0 1 332.350 2.652 20 10 EFCDMN C[C@H](O)CN(Cc1cc(Br)cc(F)c1O)CC(F)F ZINC000894917269 723028033 /nfs/dbraw/zinc/02/80/33/723028033.db2.gz LLADDDKNQKMVSS-ZETCQYMHSA-N 0 1 342.155 2.742 20 10 EFCDMN NC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000895000965 723045753 /nfs/dbraw/zinc/04/57/53/723045753.db2.gz MXNJQPPJXZNRTL-GOSISDBHSA-N 0 1 348.805 2.814 20 10 EFCDMN Cc1nnc([C@@H]2CC[N@@H+](Cc3cccc(Br)c3[O-])C2)[nH]1 ZINC000895007588 723052169 /nfs/dbraw/zinc/05/21/69/723052169.db2.gz KGTYYWPYURTOAD-LLVKDONJSA-N 0 1 337.221 2.571 20 10 EFCDMN Cc1cc(CNC(=O)NCc2n[nH]c(C)n2)c(C)n1-c1ccccc1 ZINC000896022973 723100994 /nfs/dbraw/zinc/10/09/94/723100994.db2.gz DLVSUVCCNGISNP-UHFFFAOYSA-N 0 1 338.415 2.520 20 10 EFCDMN CCNC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(F)cc(F)c1O ZINC000895057245 723105763 /nfs/dbraw/zinc/10/57/63/723105763.db2.gz JVLJIDOYKLPDEM-QGZVFWFLSA-N 0 1 346.377 2.733 20 10 EFCDMN CC(C)N(CC1CC1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000896444559 723304505 /nfs/dbraw/zinc/30/45/05/723304505.db2.gz MLWFEFBPJSUCGJ-UHFFFAOYSA-N 0 1 344.503 2.768 20 10 EFCDMN CN(C)[C@H](CNC(=O)N(C)Cc1ccccc1O)c1ccc(F)cc1 ZINC000127113842 724075199 /nfs/dbraw/zinc/07/51/99/724075199.db2.gz SDIPJVPYNYTKHH-QGZVFWFLSA-N 0 1 345.418 2.976 20 10 EFCDMN Oc1c(F)cc(F)cc1CN1CCc2nnc(N3CCCC3)cc2C1 ZINC000895371887 724083231 /nfs/dbraw/zinc/08/32/31/724083231.db2.gz ZGSWDCIWGIWWRQ-UHFFFAOYSA-N 0 1 346.381 2.619 20 10 EFCDMN C[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C[C@@H]1CO ZINC000895376260 724087351 /nfs/dbraw/zinc/08/73/51/724087351.db2.gz HRJDCKHMKLWCLP-GXSJLCMTSA-N 0 1 332.213 2.744 20 10 EFCDMN COc1ccc(CN[C@@H](CO)c2ccc(F)cc2F)c(O)c1OC ZINC000895459336 724143029 /nfs/dbraw/zinc/14/30/29/724143029.db2.gz QKKDBQUITBITMG-AWEZNQCLSA-N 0 1 339.338 2.511 20 10 EFCDMN COc1cccc(O)c1CN[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000895495702 724167031 /nfs/dbraw/zinc/16/70/31/724167031.db2.gz WWAAGGWXDVUMIN-HNNXBMFYSA-N 0 1 346.814 2.949 20 10 EFCDMN CCO/C=C/[C@](O)(C[NH2+]Cc1cc(Cl)ccc1[O-])C(F)(F)F ZINC000895709251 724279654 /nfs/dbraw/zinc/27/96/54/724279654.db2.gz YIVFKOVTDJKVPC-GFUIURDCSA-N 0 1 339.741 2.979 20 10 EFCDMN CC(C)(C)N1CC[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000895772484 724307185 /nfs/dbraw/zinc/30/71/85/724307185.db2.gz RXHULIGMBCPAQM-KRWDZBQOSA-N 0 1 347.528 2.729 20 10 EFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000895781419 724318816 /nfs/dbraw/zinc/31/88/16/724318816.db2.gz SELXCVKJYGNNOF-SUHUHFCYSA-N 0 1 326.234 2.666 20 10 EFCDMN CCC/C=C\C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000730235662 725513896 /nfs/dbraw/zinc/51/38/96/725513896.db2.gz LBJGRGPOWVLLTD-SREVYHEPSA-N 0 1 333.451 2.940 20 10 EFCDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H]1CCN1C ZINC000925400802 725936404 /nfs/dbraw/zinc/93/64/04/725936404.db2.gz WBVVWVKNEVGLDO-GOSISDBHSA-N 0 1 330.476 2.522 20 10 EFCDMN O=S(=O)(CCNCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000731450445 726870977 /nfs/dbraw/zinc/87/09/77/726870977.db2.gz UEFHOGYAXQYXAJ-UHFFFAOYSA-N 0 1 344.480 2.850 20 10 EFCDMN CCN(CC)c1ccc(C[NH+]2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000732576735 727162442 /nfs/dbraw/zinc/16/24/42/727162442.db2.gz OEDDKKXEPSINDW-FQEVSTJZSA-N 0 1 331.504 2.829 20 10 EFCDMN CCN(CC)c1ccc(CN2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000732576735 727162446 /nfs/dbraw/zinc/16/24/46/727162446.db2.gz OEDDKKXEPSINDW-FQEVSTJZSA-N 0 1 331.504 2.829 20 10 EFCDMN COc1ccc(N2CCCN(c3ccc(C(=O)[O-])c(C)[nH+]3)CC2)cc1 ZINC000910290481 727428274 /nfs/dbraw/zinc/42/82/74/727428274.db2.gz PJZLKNZBPGQBNN-UHFFFAOYSA-N 0 1 341.411 2.814 20 10 EFCDMN CC[C@H]1C[N@@H+](CC)CCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000910375738 727435781 /nfs/dbraw/zinc/43/57/81/727435781.db2.gz ROKQFLNYLQAAMB-QPBFKRLHSA-N 0 1 333.388 2.613 20 10 EFCDMN C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)N(C)C ZINC000912110174 727655267 /nfs/dbraw/zinc/65/52/67/727655267.db2.gz PHLNHKDORDYBHK-LBPRGKRZSA-N 0 1 331.382 2.594 20 10 EFCDMN CC1CCN(C(=O)CN(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000917074043 727763422 /nfs/dbraw/zinc/76/34/22/727763422.db2.gz NWYVHSKMKWCFDP-UHFFFAOYSA-N 0 1 329.488 2.976 20 10 EFCDMN CC(C)N(CC(=O)N1C[C@H](C)O[C@@H](C)C1)Cc1ccc(N(C)C)cc1 ZINC000917074958 727763564 /nfs/dbraw/zinc/76/35/64/727763564.db2.gz MRJLHDAHSWPTKA-IRXDYDNUSA-N 0 1 347.503 2.599 20 10 EFCDMN NC(=O)[C@@H]1CCCN(c2ccc(CNCc3ccc(Cl)o3)cc2)C1 ZINC000917394264 727800223 /nfs/dbraw/zinc/80/02/23/727800223.db2.gz FSHHADVWKRUZFI-CQSZACIVSA-N 0 1 347.846 2.925 20 10 EFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)c1[O-] ZINC000183160888 727980383 /nfs/dbraw/zinc/98/03/83/727980383.db2.gz IJYPYJZIGQGTAM-MZNJEOGPSA-N 0 1 349.427 2.943 20 10 EFCDMN CC(=O)c1cc(F)cc(CN[C@H](C[S@@](C)=O)c2ccccc2)c1O ZINC000183160888 727980387 /nfs/dbraw/zinc/98/03/87/727980387.db2.gz IJYPYJZIGQGTAM-MZNJEOGPSA-N 0 1 349.427 2.943 20 10 EFCDMN CCc1nn(C)cc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000183513309 728145930 /nfs/dbraw/zinc/14/59/30/728145930.db2.gz 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ZINC001594905164 954667108 /nfs/dbraw/zinc/66/71/08/954667108.db2.gz LMBHBCUMSPAQPJ-IAZHFHGHSA-N 0 1 343.782 2.687 20 10 EFCDMN COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1O ZINC000904430958 956959046 /nfs/dbraw/zinc/95/90/46/956959046.db2.gz VALDEBORZRPEAY-QWHCGFSZSA-N 0 1 325.792 2.597 20 10 EFCDMN C[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)[C@H]1C(=O)[O-] ZINC001573725091 959892642 /nfs/dbraw/zinc/89/26/42/959892642.db2.gz BFCSBEYKBXRGHP-NOZJJQNGSA-N 0 1 328.206 2.840 20 10 EFCDMN O=C([O-])C[N@H+](Cc1cc(Br)ccc1O)C1CCCC1 ZINC000236428610 960583592 /nfs/dbraw/zinc/58/35/92/960583592.db2.gz LUWWPPCLPHNAQI-UHFFFAOYSA-N 0 1 328.206 2.984 20 10 EFCDMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000706674445 969018022 /nfs/dbraw/zinc/01/80/22/969018022.db2.gz ZFLUMEJIKFUCOU-NXEZZACHSA-N 0 1 328.206 2.697 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)c1O ZINC000842935097 969233598 /nfs/dbraw/zinc/23/35/98/969233598.db2.gz INJDSMIYTRONBH-GXSJLCMTSA-N 0 1 325.792 2.933 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1O ZINC000863534747 969310249 /nfs/dbraw/zinc/31/02/49/969310249.db2.gz PZRCFVHDQAOBOW-ZANVPECISA-N 0 1 325.792 2.791 20 10 EFCDMN O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(Br)cc1O ZINC000691424203 976355019 /nfs/dbraw/zinc/35/50/19/976355019.db2.gz SLXVUZKGIKHJSF-LQJRIPTKSA-N 0 1 340.217 2.840 20 10 EFCDMN COC[C@]1(C(=O)[O-])CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000818629279 978921865 /nfs/dbraw/zinc/92/18/65/978921865.db2.gz BBHBKZILBDNEBD-IBGZPJMESA-N 0 1 332.444 2.743 20 10 EFCDMN COC1CCN(c2ccc(C[N@H+]3CCC[C@@](C)(C(=O)[O-])C3)cc2)CC1 ZINC000846271778 979436942 /nfs/dbraw/zinc/43/69/42/979436942.db2.gz BJRWRMIXMDFPTJ-HXUWFJFHSA-N 0 1 346.471 2.989 20 10 EFCDMN COC1CCN(c2ccc(C[N@H+]3CCC[C@](C)(C(=O)[O-])C3)cc2)CC1 ZINC000846271777 979437103 /nfs/dbraw/zinc/43/71/03/979437103.db2.gz BJRWRMIXMDFPTJ-FQEVSTJZSA-N 0 1 346.471 2.989 20 10 EFCDMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000846278812 979445507 /nfs/dbraw/zinc/44/55/07/979445507.db2.gz UTEYXCOYNOSLHA-HNNXBMFYSA-N 0 1 334.460 2.987 20 10 EFCDMN COC1CCN(c2ccc(C[N@H+]3CC[C@H](C(=O)[O-])[C@@H]3C)cc2)CC1 ZINC000846284470 979455764 /nfs/dbraw/zinc/45/57/64/979455764.db2.gz LBHBEGUCLSFQTF-KSSFIOAISA-N 0 1 332.444 2.597 20 10 EFCDMN CN(C)c1ccc(C[N@@H+]2CC[C@@](F)(C(=O)[O-])C2)c(C(F)(F)F)c1 ZINC000859810645 979641453 /nfs/dbraw/zinc/64/14/53/979641453.db2.gz SWEFRQNUFJRUPB-AWEZNQCLSA-N 0 1 334.313 2.770 20 10 EFCDMN CN(C)c1ccc(C[N@H+]2CC[C@@](F)(C(=O)[O-])C2)c(C(F)(F)F)c1 ZINC000859810645 979641456 /nfs/dbraw/zinc/64/14/56/979641456.db2.gz SWEFRQNUFJRUPB-AWEZNQCLSA-N 0 1 334.313 2.770 20 10 EFCDMN CN(C)c1ccc(/C=C/C[N@@H+](CCC(=O)[O-])C[C@H]2CCCO2)cc1 ZINC000901681696 980446504 /nfs/dbraw/zinc/44/65/04/980446504.db2.gz MTLFDSVWXPRJRR-YWPBOTNQSA-N 0 1 332.444 2.722 20 10 EFCDMN O=C([O-])[C@]12C[N@@H+](Cc3ccc(N4CCCCC4)cc3)C[C@H]1COCC2 ZINC000901952196 980647641 /nfs/dbraw/zinc/64/76/41/980647641.db2.gz OBKKVJLWHHFCIW-FXAWDEMLSA-N 0 1 344.455 2.600 20 10 EFCDMN COc1cc([O-])c(C[N@@H+](C)CC2(C)COC2)c(Br)c1 ZINC001237072888 1118585217 /nfs/dbraw/zinc/58/52/17/1118585217.db2.gz MUBSGNLUSCQSLW-UHFFFAOYSA-N 0 1 330.222 2.632 20 10 EFCDMN CC[C@H](C)[C@@H](C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O)OC ZINC001594882247 982247931 /nfs/dbraw/zinc/24/79/31/982247931.db2.gz KCBYHIFDWHDBIJ-XHDPSFHLSA-N 0 1 329.824 2.993 20 10 EFCDMN CCN(C)c1ccc(C[N@H+]2[C@@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)cc1 ZINC001596194453 983577518 /nfs/dbraw/zinc/57/75/18/983577518.db2.gz MWBUDYVQGGTLAC-ZSGPHXLJSA-N 0 1 332.444 2.738 20 10 EFCDMN COc1ccc(N(C)CC[N@@H+](C)Cc2cc(C(=O)[O-])c(C)[nH]2)cc1 ZINC001599584515 993594606 /nfs/dbraw/zinc/59/46/06/993594606.db2.gz WDWGLSPLYXUYCJ-UHFFFAOYSA-N 0 1 331.416 2.598 20 10 EFCDMN C[C@@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1cc(C(=O)[O-])ccc1O ZINC001593208328 994224286 /nfs/dbraw/zinc/22/42/86/994224286.db2.gz HQSIMPFUUIAFOQ-OTYXRUKQSA-N 0 1 337.322 2.753 20 10 EFCDMN COc1cc(C)cc(C[N@H+]2CCc3cc(C(=O)[O-])ccc3C2)c1O ZINC001599392633 997066118 /nfs/dbraw/zinc/06/61/18/997066118.db2.gz PTYJWBQPBQMUKQ-UHFFFAOYSA-N 0 1 327.380 2.966 20 10 EFCDMN COc1ccc(C[N@@H+](C)[C@H](C(=O)[O-])c2ccccc2)c(O)c1OC ZINC001599559162 998156086 /nfs/dbraw/zinc/15/60/86/998156086.db2.gz RQXGOSAILDGHLR-HNNXBMFYSA-N 0 1 331.368 2.667 20 10 EFCDMN Cc1cc(CNC(=O)N2CCN[C@H]3C[C@H]32)c(C)n1-c1cccc(C)c1 ZINC001579747469 1090677666 /nfs/dbraw/zinc/67/76/66/1090677666.db2.gz MIIHCFIYUYLDLV-RBUKOAKNSA-N 0 1 338.455 2.658 20 10 EFCDMN Cc1ccc(Cn2ccccc2=NC(=O)c2cccc(O)c2O)cc1 ZINC000588611856 1094371034 /nfs/dbraw/zinc/37/10/34/1094371034.db2.gz GDFTVFCGXNEUPI-UHFFFAOYSA-N 0 1 334.375 2.997 20 10 EFCDMN c1csc(SCCC[NH2+]Cc2csc(-c3nnn[n-]3)c2)n1 ZINC001593588648 1094400734 /nfs/dbraw/zinc/40/07/34/1094400734.db2.gz FFBUDEBYAWGVBC-UHFFFAOYSA-N 0 1 338.487 2.657 20 10 EFCDMN c1csc(SCCC[NH2+]Cc2csc(-c3nn[n-]n3)c2)n1 ZINC001593588648 1094400737 /nfs/dbraw/zinc/40/07/37/1094400737.db2.gz FFBUDEBYAWGVBC-UHFFFAOYSA-N 0 1 338.487 2.657 20 10 EFCDMN Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CC=C(C(=O)[O-])C2)c1 ZINC001600071307 1094751428 /nfs/dbraw/zinc/75/14/28/1094751428.db2.gz RFQWARFHOAALJW-LLVKDONJSA-N 0 1 326.190 2.726 20 10 EFCDMN Cc1cc(C[N@H+]2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)ccc1N(C)C ZINC001600194142 1094863000 /nfs/dbraw/zinc/86/30/00/1094863000.db2.gz ALJSITTVIVYZEJ-HXUWFJFHSA-N 0 1 346.471 2.643 20 10 EFCDMN Cc1cc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)ccc1C(=O)[O-] ZINC001600205467 1094876676 /nfs/dbraw/zinc/87/66/76/1094876676.db2.gz AYRUIFYNJDXPCI-GOSISDBHSA-N 0 1 327.428 2.549 20 10 EFCDMN O=C1CCN(Cc2cc(Cl)cc(Br)c2O)C[C@@H]1F ZINC001141373250 1094899528 /nfs/dbraw/zinc/89/95/28/1094899528.db2.gz UPUPVGNFJNHHBH-JTQLQIEISA-N 0 1 336.588 2.921 20 10 EFCDMN O=C([O-])[C@H]1CCCCC[N@H+]1Cc1cccc(Br)c1O ZINC001601815486 1095917338 /nfs/dbraw/zinc/91/73/38/1095917338.db2.gz BULLKBVJZAOWPC-GFCCVEGCSA-N 0 1 328.206 2.984 20 10 EFCDMN O=C([O-])[C@H]1CCCCC[N@@H+]1Cc1cccc(Br)c1O ZINC001601815486 1095917352 /nfs/dbraw/zinc/91/73/52/1095917352.db2.gz BULLKBVJZAOWPC-GFCCVEGCSA-N 0 1 328.206 2.984 20 10 EFCDMN O=C([O-])CC[N@@H+](Cc1c(O)ccc(Cl)c1F)C[C@H]1CCCO1 ZINC001602006492 1096018008 /nfs/dbraw/zinc/01/80/08/1096018008.db2.gz DAQKKYPWNSELFG-SNVBAGLBSA-N 0 1 331.771 2.640 20 10 EFCDMN O=C([O-])CC[N@H+](Cc1c(O)ccc(Cl)c1F)C[C@H]1CCCO1 ZINC001602006492 1096018012 /nfs/dbraw/zinc/01/80/12/1096018012.db2.gz DAQKKYPWNSELFG-SNVBAGLBSA-N 0 1 331.771 2.640 20 10 EFCDMN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H](O)C1CCCCC1 ZINC001602057397 1096045234 /nfs/dbraw/zinc/04/52/34/1096045234.db2.gz ZNIFWMJLNSMDAV-INIZCTEOSA-N 0 1 341.835 2.873 20 10 EFCDMN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)C1CCCCC1 ZINC001602057398 1096045556 /nfs/dbraw/zinc/04/55/56/1096045556.db2.gz ZNIFWMJLNSMDAV-MRXNPFEDSA-N 0 1 341.835 2.873 20 10 EFCDMN O=C([O-])c1cc(Br)oc1C[NH2+]Cc1c(O)cccc1F ZINC001602241665 1096134307 /nfs/dbraw/zinc/13/43/07/1096134307.db2.gz UEQOHTNXBKBPFQ-UHFFFAOYSA-N 0 1 344.136 2.875 20 10 EFCDMN O=C([O-])c1cc(C2CC[NH+](Cc3cc(F)cc(F)c3O)CC2)no1 ZINC001602252149 1096139664 /nfs/dbraw/zinc/13/96/64/1096139664.db2.gz AAAQBMUOMXFMQC-UHFFFAOYSA-N 0 1 338.310 2.736 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C)[C@@](C)(C(=O)[O-])C2)c1O ZINC001603102848 1096442092 /nfs/dbraw/zinc/44/20/92/1096442092.db2.gz AWEPDCSPNZLDIF-FVMDXXJSSA-N 0 1 325.792 2.791 20 10 EFCDMN C[N@@H+](Cc1cc(C(=O)[O-])cs1)Cc1ccc(N2CCOCC2)cc1 ZINC001606160563 1097332407 /nfs/dbraw/zinc/33/24/07/1097332407.db2.gz PINYGPRTVNDECG-UHFFFAOYSA-N 0 1 346.452 2.915 20 10 EFCDMN [O-]c1cc(Cl)ccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001607110644 1097517298 /nfs/dbraw/zinc/51/72/98/1097517298.db2.gz GOSVKVRQVZORCO-UHFFFAOYSA-N 0 1 333.754 2.655 20 10 EFCDMN COc1cc(C)cc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)[O-])c1O ZINC001607149204 1097544706 /nfs/dbraw/zinc/54/47/06/1097544706.db2.gz ASJFZZNMMDEIDS-INIZCTEOSA-N 0 1 327.380 2.721 20 10 EFCDMN COc1cc(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c(O)cc1C ZINC001607157823 1097546441 /nfs/dbraw/zinc/54/64/41/1097546441.db2.gz OOAIDATZFOXIBT-NEPJUHHUSA-N 0 1 347.333 2.794 20 10 EFCDMN COc1ccc(N(C)CC[N@@H+](C)Cc2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC001607268523 1097579540 /nfs/dbraw/zinc/57/95/40/1097579540.db2.gz ZJRBQVBVGMFHAC-KHPPLWFESA-N 0 1 344.411 2.954 20 10 EFCDMN COc1ccc(N(C)CC[N@@H+](C)C[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC001607267939 1097579791 /nfs/dbraw/zinc/57/97/91/1097579791.db2.gz NJNHNWJTBNAIPW-YJBOKZPZSA-N 0 1 334.460 2.954 20 10 EFCDMN COc1cccc(C[N@H+]2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)c1O ZINC001607322112 1097600701 /nfs/dbraw/zinc/60/07/01/1097600701.db2.gz UXCZPIIIQJGHSE-LLVKDONJSA-N 0 1 334.397 2.545 20 10 EFCDMN Cc1cc(O)c(C[N@@H+](CCC(=O)[O-])C[C@@H]2CCCO2)cc1Cl ZINC001607698681 1097702563 /nfs/dbraw/zinc/70/25/63/1097702563.db2.gz CZSDLURSJMLFQN-ZDUSSCGKSA-N 0 1 327.808 2.810 20 10 EFCDMN Cc1cc(O)c(C[N@H+]2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)cc1C ZINC001607699924 1097703019 /nfs/dbraw/zinc/70/30/19/1097703019.db2.gz PAQITDVJZHBDLR-IBGZPJMESA-N 0 1 333.428 2.591 20 10 EFCDMN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001608746803 1098008854 /nfs/dbraw/zinc/00/88/54/1098008854.db2.gz MVWNGUMGPIFQJB-HZUKXOBISA-N 0 1 339.819 2.890 20 10 EFCDMN O=C([O-])c1cncc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC001608980551 1098096858 /nfs/dbraw/zinc/09/68/58/1098096858.db2.gz FVXXUYWMSHQDOO-KRWDZBQOSA-N 0 1 342.395 2.667 20 10 EFCDMN O=C([O-])c1cncc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC001608980552 1098096971 /nfs/dbraw/zinc/09/69/71/1098096971.db2.gz FVXXUYWMSHQDOO-QGZVFWFLSA-N 0 1 342.395 2.667 20 10 EFCDMN COc1cccc(C[N@H+]2CC[C@](C(=O)[O-])(c3ccccc3)C2)c1O ZINC001610357315 1098637021 /nfs/dbraw/zinc/63/70/21/1098637021.db2.gz GCUUEBHSKZXTSM-LJQANCHMSA-N 0 1 327.380 2.629 20 10 EFCDMN O=C([O-])[C@H]1[C@@H](C[N@@H+](Cc2ccco2)Cc2ccccc2O)C1(F)F ZINC001610731657 1098857137 /nfs/dbraw/zinc/85/71/37/1098857137.db2.gz PEJVOTNYWBDFLR-UKRRQHHQSA-N 0 1 337.322 2.953 20 10 EFCDMN COC(=O)[C@H](C)CN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001208725303 1101452988 /nfs/dbraw/zinc/45/29/88/1101452988.db2.gz MWYVNJYCUQWKHZ-GFCCVEGCSA-N 0 1 346.349 2.516 20 10 EFCDMN CN1CCN(c2ccc(CNc3ccc4c(n3)CCOC4)cc2)CC1 ZINC001167426466 1101583397 /nfs/dbraw/zinc/58/33/97/1101583397.db2.gz GCGBZHKHJSXERX-UHFFFAOYSA-N 0 1 338.455 2.518 20 10 EFCDMN CC(C)Oc1ccnc(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC001167426962 1101585186 /nfs/dbraw/zinc/58/51/86/1101585186.db2.gz QVKAHUMCCUASAP-UHFFFAOYSA-N 0 1 341.459 2.628 20 10 EFCDMN CC[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1cc(Br)ccc1[O-] ZINC000840825915 1101755447 /nfs/dbraw/zinc/75/54/47/1101755447.db2.gz MUUROIBIVNHHEA-ZWNOBZJWSA-N 0 1 341.249 2.722 20 10 EFCDMN CN(C)[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1cccs1 ZINC000588403237 1101896122 /nfs/dbraw/zinc/89/61/22/1101896122.db2.gz BLSWDYJULYCGPE-WOLRVDTOSA-N 0 1 332.425 2.592 20 10 EFCDMN COC(=O)[C@]1(C)CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000840974869 1102634656 /nfs/dbraw/zinc/63/46/56/1102634656.db2.gz IZXJPNUEDIDMCC-OAHLLOKOSA-N 0 1 342.233 2.930 20 10 EFCDMN COc1ccc(N2CCN(C(=O)c3cccc4c[nH]nc43)CC2)cc1 ZINC000043075732 1103121848 /nfs/dbraw/zinc/12/18/48/1103121848.db2.gz UHMBPSULZKPWCD-UHFFFAOYSA-N 0 1 336.395 2.534 20 10 EFCDMN CCC(C)(C)NC(=S)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000905530289 1103316843 /nfs/dbraw/zinc/31/68/43/1103316843.db2.gz OYYFBKJYKLUAKZ-UHFFFAOYSA-N 0 1 334.533 2.591 20 10 EFCDMN CC(C)(C)N1CC[C@@H]1C(=O)NCc1cccc(Br)c1O ZINC000897577334 1105780056 /nfs/dbraw/zinc/78/00/56/1105780056.db2.gz VVNAGCWMHGRHSA-GFCCVEGCSA-N 0 1 341.249 2.644 20 10 EFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000841894521 1105868956 /nfs/dbraw/zinc/86/89/56/1105868956.db2.gz QPESDPJERJHMQR-NSHDSACASA-N 0 1 335.192 2.584 20 10 EFCDMN CCC[C@@H](NCc1cc(Br)cc(F)c1O)C(=O)OC ZINC000897833220 1106112044 /nfs/dbraw/zinc/11/20/44/1106112044.db2.gz ACUZNNJWNNCXOE-LLVKDONJSA-N 0 1 334.185 2.725 20 10 EFCDMN COc1cccc(O)c1CN1CC2(C1)CCN(C(=O)OC(C)(C)C)C2 ZINC000897895532 1106135505 /nfs/dbraw/zinc/13/55/05/1106135505.db2.gz AAVFXNCHWAQOKZ-UHFFFAOYSA-N 0 1 348.443 2.844 20 10 EFCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1ccc(CCO)cc1 ZINC000898172527 1106259799 /nfs/dbraw/zinc/25/97/99/1106259799.db2.gz MXNAUGKIZPVQSB-UHFFFAOYSA-N 0 1 336.229 2.979 20 10 EFCDMN CC[C@H]([NH2+][C@@H](C)CC(=O)NC)c1cc(Br)ccc1[O-] ZINC000323066208 1106810085 /nfs/dbraw/zinc/81/00/85/1106810085.db2.gz VFQJAGGLJGXLBT-CABZTGNLSA-N 0 1 329.238 2.720 20 10 EFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1Cc2ccccc2[C@@H]1O ZINC000898392758 1108907403 /nfs/dbraw/zinc/90/74/03/1108907403.db2.gz JHKNMANGJNSTSC-HOCLYGCPSA-N 0 1 334.213 2.903 20 10 EFCDMN CC(C)(C)C(=O)N1CCN(Cc2c(O)ccc3ccncc32)CC1 ZINC000914568735 1111262440 /nfs/dbraw/zinc/26/24/40/1111262440.db2.gz FRNBXDJDPNTXNY-UHFFFAOYSA-N 0 1 327.428 2.631 20 10 EFCDMN C[C@H]1C[N@@H+](Cc2cc(Br)cc(F)c2[O-])CC[C@]1(C)O ZINC001235057346 1111606310 /nfs/dbraw/zinc/60/63/10/1111606310.db2.gz MBYGNBFKVYRCFM-XPTSAGLGSA-N 0 1 332.213 2.887 20 10 EFCDMN CN1CC[C@]2(CC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1=O ZINC001272621193 1111757216 /nfs/dbraw/zinc/75/72/16/1111757216.db2.gz ILJRYVGODGWDJI-OAHLLOKOSA-N 0 1 329.227 2.753 20 10 EFCDMN COc1cccc(C[N@H+]2CCC[C@@]23CCN(CC=C(C)C)C3=O)c1O ZINC001272625090 1111765317 /nfs/dbraw/zinc/76/53/17/1111765317.db2.gz HKYUFLVADYAFDL-FQEVSTJZSA-N 0 1 344.455 2.934 20 10 EFCDMN COCCC[N@H+](CCOC)Cc1ccc(Br)cc1[O-] ZINC000691677154 1112265620 /nfs/dbraw/zinc/26/56/20/1112265620.db2.gz MUEUJGNNIYKBQJ-UHFFFAOYSA-N 0 1 332.238 2.640 20 10 EFCDMN COCCC[N@@H+](CCOC)Cc1ccc(Br)cc1[O-] ZINC000691677154 1112265623 /nfs/dbraw/zinc/26/56/23/1112265623.db2.gz MUEUJGNNIYKBQJ-UHFFFAOYSA-N 0 1 332.238 2.640 20 10 EFCDMN COc1cc([O-])c(C[N@H+](C)CC2(C)COC2)c(Br)c1 ZINC001237072888 1118585215 /nfs/dbraw/zinc/58/52/15/1118585215.db2.gz MUBSGNLUSCQSLW-UHFFFAOYSA-N 0 1 330.222 2.632 20 10 EFCDMN CC[C@H]([NH2+][C@@H](C)C[S@](C)=O)c1cc(Br)ccc1[O-] ZINC000183861591 201037856 /nfs/dbraw/zinc/03/78/56/201037856.db2.gz BSYXDILSKIPLNI-BMKPQVEQSA-N 0 1 334.279 2.962 20 10 EFCDMN COCCN(Cc1ccc(C)o1)Cc1cc(OC)c(OC)cc1O ZINC000180498335 239493818 /nfs/dbraw/zinc/49/38/18/239493818.db2.gz KETJAOPGHHMVLG-UHFFFAOYSA-N 0 1 335.400 2.959 20 10 EFCDMN C[C@@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCS1 ZINC000192169480 240028527 /nfs/dbraw/zinc/02/85/27/240028527.db2.gz MTYYCJXWWCLRSN-OAHLLOKOSA-N 0 1 335.517 2.538 20 10 EFCDMN COc1cc(N2CCN(C[C@H]3CCC=CO3)CC2)cc(OC)c1OC ZINC000194676860 240171981 /nfs/dbraw/zinc/17/19/81/240171981.db2.gz UPAAQDLVTYBVQH-MRXNPFEDSA-N 0 1 348.443 2.527 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1O ZINC000248510646 240291931 /nfs/dbraw/zinc/29/19/31/240291931.db2.gz AJDMOPQRHHCDHQ-UVBJJODRSA-N 0 1 335.375 2.952 20 10 EFCDMN Cc1ccc([C@H](O)C[NH2+]Cc2cc(Br)ccc2[O-])o1 ZINC000266052122 240472211 /nfs/dbraw/zinc/47/22/11/240472211.db2.gz VIGBBCATTAHRLA-CYBMUJFWSA-N 0 1 326.190 2.879 20 10 EFCDMN Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000291624258 241027433 /nfs/dbraw/zinc/02/74/33/241027433.db2.gz RUUVGLOVZKAFHI-LBPRGKRZSA-N 0 1 330.350 2.591 20 10 EFCDMN Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000291624258 241027437 /nfs/dbraw/zinc/02/74/37/241027437.db2.gz RUUVGLOVZKAFHI-LBPRGKRZSA-N 0 1 330.350 2.591 20 10 EFCDMN COc1cc(O)c(CN2CC(COc3ccccc3)C2)cc1OC ZINC000297323961 241118173 /nfs/dbraw/zinc/11/81/73/241118173.db2.gz DHFSLOPESZXZLY-UHFFFAOYSA-N 0 1 329.396 2.920 20 10 EFCDMN CCCCN(Cc1ccccc1O)C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000298064120 241139872 /nfs/dbraw/zinc/13/98/72/241139872.db2.gz JXUCHZRCTKTJIM-UHFFFAOYSA-N 0 1 343.431 2.900 20 10 EFCDMN CN(C)[C@@H](CNC(=O)NCc1ccccc1O)c1ccc(F)cc1 ZINC000299555745 241180804 /nfs/dbraw/zinc/18/08/04/241180804.db2.gz YQMRHESGJIAYJD-INIZCTEOSA-N 0 1 331.391 2.633 20 10 EFCDMN COCCn1c(C)c(C)c2cc(C(=O)NCc3cnc[nH]3)ccc21 ZINC000359676407 242163482 /nfs/dbraw/zinc/16/34/82/242163482.db2.gz FTAALQOVEJYSCY-UHFFFAOYSA-N 0 1 326.400 2.558 20 10 EFCDMN O=C1[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCN1Cc1ccccc1 ZINC000363118822 242271258 /nfs/dbraw/zinc/27/12/58/242271258.db2.gz DKOAMKGVVRNVSL-INIZCTEOSA-N 0 1 330.815 2.936 20 10 EFCDMN C[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1cc(Cl)ccc1[O-] ZINC000363853275 242283979 /nfs/dbraw/zinc/28/39/79/242283979.db2.gz KHDKHBVTCATUQX-ABAIWWIYSA-N 0 1 335.835 2.963 20 10 EFCDMN O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)n1 ZINC000366026379 242339723 /nfs/dbraw/zinc/33/97/23/242339723.db2.gz UOPQMKJLGGVRCB-UHFFFAOYSA-N 0 1 336.779 2.987 20 10 EFCDMN COc1cccc(CNC(=O)NC[C@H](c2cccs2)N(C)C)c1O ZINC000072293211 203196020 /nfs/dbraw/zinc/19/60/20/203196020.db2.gz OYTBTCWPDKCBSD-CYBMUJFWSA-N 0 1 349.456 2.564 20 10 EFCDMN C[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000163944370 533508450 /nfs/dbraw/zinc/50/84/50/533508450.db2.gz JQRKEGUUPPKJIC-KGLIPLIRSA-N 0 1 332.423 2.808 20 10 EFCDMN C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000273452804 298465727 /nfs/dbraw/zinc/46/57/27/298465727.db2.gz GIXZVYPZNVCSNL-JJQCHNSYSA-N 0 1 334.279 2.962 20 10 EFCDMN CN(C)C(=O)COc1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000113324112 544569887 /nfs/dbraw/zinc/56/98/87/544569887.db2.gz YEJZMNSZNPLIFF-UHFFFAOYSA-N 0 1 348.830 2.802 20 10 EFCDMN C[C@H]([NH2+]Cc1ncc(C(F)(F)F)cn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000296290936 289983342 /nfs/dbraw/zinc/98/33/42/289983342.db2.gz FLEDQTTVTXPGAM-QMMMGPOBSA-N 0 1 342.277 2.960 20 10 EFCDMN CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000184979169 473290816 /nfs/dbraw/zinc/29/08/16/473290816.db2.gz AXJLQMYSQKTJNI-LLVKDONJSA-N 0 1 346.880 2.510 20 10 EFCDMN C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000185029046 473305488 /nfs/dbraw/zinc/30/54/88/473305488.db2.gz ORYMOXZWQBGUNB-VXGBXAGGSA-N 0 1 343.265 2.526 20 10 EFCDMN C[C@H]([NH2+]CCCC(=O)N(C)C)c1cc(Br)ccc1[O-] ZINC000185193704 473357934 /nfs/dbraw/zinc/35/79/34/473357934.db2.gz VZVQCAWOUCYXKQ-JTQLQIEISA-N 0 1 329.238 2.674 20 10 EFCDMN [O-]c1ccc(Br)cc1C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000227435399 474245704 /nfs/dbraw/zinc/24/57/04/474245704.db2.gz MTDUILWICYCHJD-AWEZNQCLSA-N 0 1 344.249 2.830 20 10 EFCDMN CCN(CC(=O)NCC1CC1)Cc1cc(Br)ccc1O ZINC000076118527 472276805 /nfs/dbraw/zinc/27/68/05/472276805.db2.gz LILYVXHOZIPFNY-UHFFFAOYSA-N 0 1 341.249 2.503 20 10 EFCDMN CN(Cc1ccccc1O)[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000088511011 472369393 /nfs/dbraw/zinc/36/93/93/472369393.db2.gz DBWYHZSAHFRXGF-HNNXBMFYSA-N 0 1 332.350 2.908 20 10 EFCDMN CCCOc1ccc(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c(O)c1 ZINC000154834979 472477988 /nfs/dbraw/zinc/47/79/88/472477988.db2.gz FPJVENVHIGPSGX-KRWDZBQOSA-N 0 1 346.471 2.919 20 10 EFCDMN C[C@H]1SCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000118533870 472497473 /nfs/dbraw/zinc/49/74/73/472497473.db2.gz RUVCCAXCIAVGAT-LSDHHAIUSA-N 0 1 335.517 2.537 20 10 EFCDMN CCOc1ccc(O)c(CN2CCCN(CC(F)(F)F)CC2)c1 ZINC000129491963 472548530 /nfs/dbraw/zinc/54/85/30/472548530.db2.gz TWYZMTOVPMAJNJ-UHFFFAOYSA-N 0 1 332.366 2.861 20 10 EFCDMN CN(C)c1ccc(CNC(=O)c2cccc(-c3nnc[nH]3)c2)cc1F ZINC000119739669 472578993 /nfs/dbraw/zinc/57/89/93/472578993.db2.gz QGHCGGAPGUTYJJ-UHFFFAOYSA-N 0 1 339.374 2.607 20 10 EFCDMN CCC(C)(C)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000102634162 472586116 /nfs/dbraw/zinc/58/61/16/472586116.db2.gz CJQOLZRIRTYXNP-UHFFFAOYSA-N 0 1 347.503 2.760 20 10 EFCDMN CCN(Cc1cc(Br)ccc1O)C[C@@H](O)C(F)(F)F ZINC000121399704 472846367 /nfs/dbraw/zinc/84/63/67/472846367.db2.gz DSTWITQNJTYJNL-LLVKDONJSA-N 0 1 342.155 2.900 20 10 EFCDMN CCOCCO[C@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000092067380 472851869 /nfs/dbraw/zinc/85/18/69/472851869.db2.gz DVJWIGFFUNWYDI-ZDUSSCGKSA-N 0 1 344.795 2.581 20 10 EFCDMN CCN(CC)c1ccc(CN2CCC[C@@H](N3CCNC3=O)C2)cc1F ZINC000092188638 472871726 /nfs/dbraw/zinc/87/17/26/472871726.db2.gz WSQZNNRUNYMEQB-MRXNPFEDSA-N 0 1 348.466 2.662 20 10 EFCDMN CCN(CC)c1ccc(CN2CCN(c3cnccn3)CC2)cc1 ZINC000157947678 472876783 /nfs/dbraw/zinc/87/67/83/472876783.db2.gz OYWRLGVNDYCJKX-UHFFFAOYSA-N 0 1 325.460 2.645 20 10 EFCDMN COc1ccc(N2CCCN(Cc3cc(C(N)=O)cs3)CC2)cc1 ZINC000092380841 472904186 /nfs/dbraw/zinc/90/41/86/472904186.db2.gz BWARXFJENMFGLD-UHFFFAOYSA-N 0 1 345.468 2.568 20 10 EFCDMN COc1ccc(OC)c(CN(CCO)Cc2cc(C)ccc2O)c1 ZINC000093361552 473095617 /nfs/dbraw/zinc/09/56/17/473095617.db2.gz ICTJIZCCUASODT-UHFFFAOYSA-N 0 1 331.412 2.712 20 10 EFCDMN CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093417108 473106735 /nfs/dbraw/zinc/10/67/35/473106735.db2.gz IWUJSOKWZNVBPO-SECBINFHSA-N 0 1 340.272 2.954 20 10 EFCDMN CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093417108 473106743 /nfs/dbraw/zinc/10/67/43/473106743.db2.gz IWUJSOKWZNVBPO-SECBINFHSA-N 0 1 340.272 2.954 20 10 EFCDMN COc1ccc(N2CCCN([C@H](C)C(=O)NC(C)(C)C)CC2)cc1 ZINC000052466387 473109708 /nfs/dbraw/zinc/10/97/08/473109708.db2.gz FSQAFZWQKLOLDE-OAHLLOKOSA-N 0 1 333.476 2.511 20 10 EFCDMN CC[C@@H](C)NC(=O)[C@H](C)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466705 473110050 /nfs/dbraw/zinc/11/00/50/473110050.db2.gz PGZHNOOMKPZYLX-CVEARBPZSA-N 0 1 333.476 2.511 20 10 EFCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000093664699 473132055 /nfs/dbraw/zinc/13/20/55/473132055.db2.gz PFCMUOUFTISLMC-LBPRGKRZSA-N 0 1 345.270 2.853 20 10 EFCDMN C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N(C)Cc1ccccc1O ZINC000111235637 473197844 /nfs/dbraw/zinc/19/78/44/473197844.db2.gz VJPQWCXKQHAQJE-RHSMWYFYSA-N 0 1 340.423 2.853 20 10 EFCDMN CN(CC(=O)N(C)CCOc1ccccc1F)Cc1ccccc1O ZINC000111236369 473197958 /nfs/dbraw/zinc/19/79/58/473197958.db2.gz WKHDGVJLXMJIOA-UHFFFAOYSA-N 0 1 346.402 2.501 20 10 EFCDMN C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185392968 473414701 /nfs/dbraw/zinc/41/47/01/473414701.db2.gz ROIRXGGENSJVOH-RYUDHWBXSA-N 0 1 346.302 2.986 20 10 EFCDMN C[C@H](CN1CCN(C)CC1)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185393023 473414909 /nfs/dbraw/zinc/41/49/09/473414909.db2.gz ROIRXGGENSJVOH-VXGBXAGGSA-N 0 1 346.302 2.986 20 10 EFCDMN C/C=C(\CC)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000191557902 473554405 /nfs/dbraw/zinc/55/44/05/473554405.db2.gz RXXFFSCHPJHKRB-AYSLTRBKSA-N 0 1 333.451 2.940 20 10 EFCDMN CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000185970888 473562021 /nfs/dbraw/zinc/56/20/21/473562021.db2.gz OGFDVXGRABUDFR-ZDUSSCGKSA-N 0 1 336.457 2.524 20 10 EFCDMN Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3cc(Cl)ccc3[O-])C2=O)n(C)n1 ZINC000186083066 473586689 /nfs/dbraw/zinc/58/66/89/473586689.db2.gz RCUWAQXPWJRCFK-RISCZKNCSA-N 0 1 348.834 2.544 20 10 EFCDMN C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc2ccccc2c1[O-] ZINC000186168733 473605353 /nfs/dbraw/zinc/60/53/53/473605353.db2.gz KFQHKTZGQBUWQE-DZGCQCFKSA-N 0 1 348.468 2.620 20 10 EFCDMN C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc2ccccc2c1[O-] ZINC000186168752 473606830 /nfs/dbraw/zinc/60/68/30/473606830.db2.gz KFQHKTZGQBUWQE-UKRRQHHQSA-N 0 1 348.468 2.620 20 10 EFCDMN CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000186223378 473620610 /nfs/dbraw/zinc/62/06/10/473620610.db2.gz NTZDBLMOJZKIRM-VIFPVBQESA-N 0 1 329.238 2.578 20 10 EFCDMN CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000186353762 473657808 /nfs/dbraw/zinc/65/78/08/473657808.db2.gz PWOQCVXTCCIAAN-SNVBAGLBSA-N 0 1 343.265 2.968 20 10 EFCDMN C[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc(Cl)ccc1[O-] ZINC000186375153 473663463 /nfs/dbraw/zinc/66/34/63/473663463.db2.gz NOSFBYKNYGWRKC-YPMHNXCESA-N 0 1 327.808 2.618 20 10 EFCDMN O=C(NC1CC1)[C@@H]1CCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000179486400 473690597 /nfs/dbraw/zinc/69/05/97/473690597.db2.gz DEYFLHSSLWBKFK-IBGZPJMESA-N 0 1 327.472 2.920 20 10 EFCDMN O=C(NCc1ccco1)[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000179671705 473706224 /nfs/dbraw/zinc/70/62/24/473706224.db2.gz XRCWWFLEYWNBED-HNNXBMFYSA-N 0 1 334.803 2.919 20 10 EFCDMN COc1cccc(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000179740591 473716851 /nfs/dbraw/zinc/71/68/51/473716851.db2.gz SMUOZBXMTGVMKB-CYBMUJFWSA-N 0 1 336.432 2.747 20 10 EFCDMN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)(F)F ZINC000173022998 473728212 /nfs/dbraw/zinc/72/82/12/473728212.db2.gz CFEJTXJZVDURRO-VIFPVBQESA-N 0 1 338.276 2.935 20 10 EFCDMN CC[C@H]([NH2+][C@H](CO)CCOC)c1cc(Br)ccc1[O-] ZINC000281547302 473759343 /nfs/dbraw/zinc/75/93/43/473759343.db2.gz IYQFSDKKLKEAHD-AAEUAGOBSA-N 0 1 332.238 2.593 20 10 EFCDMN COc1ccc(O)c(CN2CCc3c(cccc3NC(C)=O)C2)c1 ZINC000179820358 473734679 /nfs/dbraw/zinc/73/46/79/473734679.db2.gz OIKXXTNBNJKZNG-UHFFFAOYSA-N 0 1 326.396 2.918 20 10 EFCDMN CC[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1cccc(Cl)c1[O-] ZINC000287695907 473736263 /nfs/dbraw/zinc/73/62/63/473736263.db2.gz NJWOSYQBBGSXTQ-XJKSGUPXSA-N 0 1 325.884 2.722 20 10 EFCDMN COc1ccc(O)c(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000179926788 473756522 /nfs/dbraw/zinc/75/65/22/473756522.db2.gz BTWWEGANKLVVJC-CYBMUJFWSA-N 0 1 336.432 2.747 20 10 EFCDMN CC(=O)c1cc(F)cc(CN2CCSC3(CCOCC3)C2)c1O ZINC000186841255 473767667 /nfs/dbraw/zinc/76/76/67/473767667.db2.gz FBEPGZPMXQXCOO-UHFFFAOYSA-N 0 1 339.432 2.832 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCSC3(CCOCC3)C2)c1[O-] ZINC000186841255 473767672 /nfs/dbraw/zinc/76/76/72/473767672.db2.gz FBEPGZPMXQXCOO-UHFFFAOYSA-N 0 1 339.432 2.832 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCSC3(CCOCC3)C2)c1[O-] ZINC000186841255 473767680 /nfs/dbraw/zinc/76/76/80/473767680.db2.gz FBEPGZPMXQXCOO-UHFFFAOYSA-N 0 1 339.432 2.832 20 10 EFCDMN C[C@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1ccc(F)c(F)c1O ZINC000187840975 473929152 /nfs/dbraw/zinc/92/91/52/473929152.db2.gz SSJWKBZMKKJWHG-NSHDSACASA-N 0 1 347.365 2.780 20 10 EFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](CC(N)=O)C2CCCCC2)c1[O-] ZINC000182049751 474089606 /nfs/dbraw/zinc/08/96/06/474089606.db2.gz WPUKCKYXIZWHAR-MRXNPFEDSA-N 0 1 336.407 2.648 20 10 EFCDMN CCC[N@@H+](CCN1CCCC1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000289205676 474182875 /nfs/dbraw/zinc/18/28/75/474182875.db2.gz BPYCFWVKAGRIAF-UHFFFAOYSA-N 0 1 337.420 2.617 20 10 EFCDMN COc1cc(O)c(CNc2cnccc2-n2cc(C)cn2)cc1OC ZINC000182668670 474229925 /nfs/dbraw/zinc/22/99/25/474229925.db2.gz VPLOZYQUNFZYQQ-UHFFFAOYSA-N 0 1 340.383 2.911 20 10 EFCDMN CC(C)c1nc([C@@H](C)NC(=O)NCc2ccc(N(C)C)cc2)n[nH]1 ZINC000270751634 474248972 /nfs/dbraw/zinc/24/89/72/474248972.db2.gz YLNVBPVALWWXHQ-GFCCVEGCSA-N 0 1 330.436 2.555 20 10 EFCDMN CC(C)c1nc([C@@H](C)NC(=O)NCc2ccc(N(C)C)c(F)c2)n[nH]1 ZINC000270795776 474269390 /nfs/dbraw/zinc/26/93/90/474269390.db2.gz WAIDQVYUFMAWOG-LLVKDONJSA-N 0 1 348.426 2.694 20 10 EFCDMN C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000289533495 474310977 /nfs/dbraw/zinc/31/09/77/474310977.db2.gz WFFPPHNJJHMSQO-UHFFFAOYSA-N 0 1 346.302 2.768 20 10 EFCDMN CN1CCN(CCC[N@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000289533495 474310984 /nfs/dbraw/zinc/31/09/84/474310984.db2.gz WFFPPHNJJHMSQO-UHFFFAOYSA-N 0 1 346.302 2.768 20 10 EFCDMN CN1CCN(CCC[N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000289533495 474310989 /nfs/dbraw/zinc/31/09/89/474310989.db2.gz WFFPPHNJJHMSQO-UHFFFAOYSA-N 0 1 346.302 2.768 20 10 EFCDMN CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000189408642 474387638 /nfs/dbraw/zinc/38/76/38/474387638.db2.gz GQCXXEZMVONFHT-NXEZZACHSA-N 0 1 329.238 2.672 20 10 EFCDMN Cn1ccc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000266171562 474422698 /nfs/dbraw/zinc/42/26/98/474422698.db2.gz RJOXGIXGTLLINO-AWEZNQCLSA-N 0 1 336.386 2.780 20 10 EFCDMN CNC(=O)N1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000271192624 474432940 /nfs/dbraw/zinc/43/29/40/474432940.db2.gz QRTHFNDXPZOSDM-UHFFFAOYSA-N 0 1 325.412 2.516 20 10 EFCDMN COC(=O)[C@H](NCc1cccc(Cl)c1O)c1ccc2c(c1)CCO2 ZINC000189618401 474450041 /nfs/dbraw/zinc/45/00/41/474450041.db2.gz SPVQTFIWTCMBNC-MRXNPFEDSA-N 0 1 347.798 2.984 20 10 EFCDMN Cc1ccc([C@H](CNC(=O)Cc2ccc(N)cc2)N2CCCC2)o1 ZINC000237917175 474503789 /nfs/dbraw/zinc/50/37/89/474503789.db2.gz ZURCPDLEGKYXQJ-KRWDZBQOSA-N 0 1 327.428 2.666 20 10 EFCDMN COc1c([O-])c(C[NH2+][C@H]2c3ccccc3O[C@H]2C)ccc1[N+](=O)[O-] ZINC000289985833 474515630 /nfs/dbraw/zinc/51/56/30/474515630.db2.gz BWOYUSNPQQYFGB-ZUZCIYMTSA-N 0 1 330.340 2.921 20 10 EFCDMN CN(C)c1ccc(CN(C[C@@H]2CCCS(=O)(=O)C2)C2CC2)cc1 ZINC000283999151 474546992 /nfs/dbraw/zinc/54/69/92/474546992.db2.gz GOMFBRCSCXWOSS-INIZCTEOSA-N 0 1 336.501 2.542 20 10 EFCDMN C[C@H]1CN(c2ccc(NC(=O)c3c(F)ccc(O)c3O)cc2)CCO1 ZINC000276517336 474564750 /nfs/dbraw/zinc/56/47/50/474564750.db2.gz FUPGBRKLBYPKFN-NSHDSACASA-N 0 1 346.358 2.714 20 10 EFCDMN Cc1ccc([C@H](CNC(=O)c2c(F)ccc(O)c2[O-])[NH+](C)C)cc1 ZINC000276664309 474568794 /nfs/dbraw/zinc/56/87/94/474568794.db2.gz YLEUZBDISLAGGS-AWEZNQCLSA-N 0 1 332.375 2.578 20 10 EFCDMN CCN(CC)c1ccc(CN2CC[C@H](N3CCCC3=O)C2)cc1F ZINC000276859086 474572303 /nfs/dbraw/zinc/57/23/03/474572303.db2.gz WLGDDCIUAHNZKI-INIZCTEOSA-N 0 1 333.451 2.869 20 10 EFCDMN C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(F)c(F)c1[O-] ZINC000276992134 474576204 /nfs/dbraw/zinc/57/62/04/474576204.db2.gz XPBVQMOLQJFDAU-IUIKQTSFSA-N 0 1 340.414 2.699 20 10 EFCDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C=Cc2ccc(O)c(O)c2)n[nH]1 ZINC000277149708 474579145 /nfs/dbraw/zinc/57/91/45/474579145.db2.gz WCJVANNNMVXHMY-QISKZBHPSA-N 0 1 330.388 2.620 20 10 EFCDMN CCc1nc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n[nH]1 ZINC000271532833 474581161 /nfs/dbraw/zinc/58/11/61/474581161.db2.gz PVPGXSLSQZCJKG-KBPBESRZSA-N 0 1 329.448 2.616 20 10 EFCDMN CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277560009 474590028 /nfs/dbraw/zinc/59/00/28/474590028.db2.gz PFQLQFDVHDTPGT-JTQLQIEISA-N 0 1 343.265 2.938 20 10 EFCDMN COc1cccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)c1 ZINC000278176194 474602734 /nfs/dbraw/zinc/60/27/34/474602734.db2.gz GIKWQXPNJFMUDG-UHFFFAOYSA-N 0 1 332.356 2.950 20 10 EFCDMN COc1cccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278176194 474602737 /nfs/dbraw/zinc/60/27/37/474602737.db2.gz GIKWQXPNJFMUDG-UHFFFAOYSA-N 0 1 332.356 2.950 20 10 EFCDMN COc1cccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278176194 474602742 /nfs/dbraw/zinc/60/27/42/474602742.db2.gz GIKWQXPNJFMUDG-UHFFFAOYSA-N 0 1 332.356 2.950 20 10 EFCDMN Cc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)n(C)n1 ZINC000284368448 474627901 /nfs/dbraw/zinc/62/79/01/474627901.db2.gz OCTDECBCQUDNAR-AWEZNQCLSA-N 0 1 332.423 2.555 20 10 EFCDMN Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)c1 ZINC000292865406 474682467 /nfs/dbraw/zinc/68/24/67/474682467.db2.gz VUCQNVQOZPKLAX-DGCLKSJQSA-N 0 1 330.350 2.732 20 10 EFCDMN CCOCc1cc(CNCc2ccc(NC(C)=O)nc2)ccc1OC ZINC000278685426 474775791 /nfs/dbraw/zinc/77/57/91/474775791.db2.gz PKLUJHSMMWNJGQ-UHFFFAOYSA-N 0 1 343.427 2.875 20 10 EFCDMN COc1ccc(O)c([C@@H](C)NCc2cc(C)nc(N3CCCC3)n2)c1 ZINC000293335909 474933410 /nfs/dbraw/zinc/93/34/10/474933410.db2.gz GGEIJRJBGCDSQV-CQSZACIVSA-N 0 1 342.443 2.950 20 10 EFCDMN C[C@@H](N[C@@H](C)c1nncn1C)c1ccc(Br)cc1O ZINC000273593350 474980513 /nfs/dbraw/zinc/98/05/13/474980513.db2.gz PVGDXLQKGBMTEQ-BDAKNGLRSA-N 0 1 325.210 2.695 20 10 EFCDMN C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc(Br)cc1[O-] ZINC000273514909 474938664 /nfs/dbraw/zinc/93/86/64/474938664.db2.gz SJGSOSIQENOMCM-ZUZCIYMTSA-N 0 1 344.249 2.593 20 10 EFCDMN COC[C@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@H]1CCCO1 ZINC000279123445 474960844 /nfs/dbraw/zinc/96/08/44/474960844.db2.gz UYEHLDMXSGULNY-LSDHHAIUSA-N 0 1 327.808 2.532 20 10 EFCDMN COCCN1CC[C@@H]([NH2+][C@H](C)c2cc(Br)ccc2[O-])C1 ZINC000273562995 474964150 /nfs/dbraw/zinc/96/41/50/474964150.db2.gz IRCWITSKEFKLCT-DGCLKSJQSA-N 0 1 343.265 2.526 20 10 EFCDMN CC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000279643268 474984065 /nfs/dbraw/zinc/98/40/65/474984065.db2.gz DCSMGHURJIOQDL-LBPRGKRZSA-N 0 1 341.249 2.503 20 10 EFCDMN COc1cc(Cl)cc(CN2CCC(NC(=O)C(C)C)CC2)c1O ZINC000273686522 475011610 /nfs/dbraw/zinc/01/16/10/475011610.db2.gz AOWOCFSATSPCAL-UHFFFAOYSA-N 0 1 340.851 2.791 20 10 EFCDMN CN(C)c1ccc(CN2CCC[C@H](OCCO)C2)c(C(F)(F)F)c1 ZINC000280381292 475021976 /nfs/dbraw/zinc/02/19/76/475021976.db2.gz WDMLBSDZGYGXKT-HNNXBMFYSA-N 0 1 346.393 2.745 20 10 EFCDMN [O-]c1cccc(Cl)c1C[NH2+]CCn1cc(Br)cn1 ZINC000285648592 475035538 /nfs/dbraw/zinc/03/55/38/475035538.db2.gz ZTWLQEUMVBRBTG-UHFFFAOYSA-N 0 1 330.613 2.794 20 10 EFCDMN C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cnccn1 ZINC000268801051 475041364 /nfs/dbraw/zinc/04/13/64/475041364.db2.gz BBISNLFUSMKJPZ-HNNXBMFYSA-N 0 1 326.444 2.536 20 10 EFCDMN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCCc2cn[nH]c21 ZINC000268879497 475048180 /nfs/dbraw/zinc/04/81/80/475048180.db2.gz WHFLDARYVZOEFQ-KRWDZBQOSA-N 0 1 339.443 2.887 20 10 EFCDMN CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000281145245 475090038 /nfs/dbraw/zinc/09/00/38/475090038.db2.gz FDBMRVHAZFPIIL-KRWDZBQOSA-N 0 1 341.835 2.837 20 10 EFCDMN C[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)C(=O)N1CCCC1 ZINC000281152904 475091179 /nfs/dbraw/zinc/09/11/79/475091179.db2.gz FONCHQKJTKODSU-LBPRGKRZSA-N 0 1 343.393 2.872 20 10 EFCDMN C[C@@H](NC(=O)c1c([O-])c(O)ccc1F)[C@H](c1ccccc1)[NH+](C)C ZINC000294924270 475091514 /nfs/dbraw/zinc/09/15/14/475091514.db2.gz GXQILLRVYLURRA-BDJLRTHQSA-N 0 1 332.375 2.658 20 10 EFCDMN O=C(NC1CC[NH+](C2CCCCC2)CC1)c1c([O-])c(O)ccc1F ZINC000295130584 475105178 /nfs/dbraw/zinc/10/51/78/475105178.db2.gz HZSHDMNLUDSZFB-UHFFFAOYSA-N 0 1 336.407 2.764 20 10 EFCDMN CCN(Cc1n[nH]c(C)n1)Cc1cc(Br)ccc1O ZINC000292604371 475111541 /nfs/dbraw/zinc/11/15/41/475111541.db2.gz WIWISQGJBLSEKH-UHFFFAOYSA-N 0 1 325.210 2.603 20 10 EFCDMN C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000295695588 475131183 /nfs/dbraw/zinc/13/11/83/475131183.db2.gz PCJMFGUBOJYYAI-NWDGAFQWSA-N 0 1 336.407 2.620 20 10 EFCDMN C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000295695588 475131191 /nfs/dbraw/zinc/13/11/91/475131191.db2.gz PCJMFGUBOJYYAI-NWDGAFQWSA-N 0 1 336.407 2.620 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CCOC[C@@H](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000292701285 475158017 /nfs/dbraw/zinc/15/80/17/475158017.db2.gz CJEWPMGCMJUSEY-AWEZNQCLSA-N 0 1 336.388 2.558 20 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CC(C)(C)c1ncc2c(n1)CCN(C(=O)c1c(F)ccc(O)c1[O-])C2 ZINC000530268260 477879996 /nfs/dbraw/zinc/87/99/96/477879996.db2.gz WSTLFQGKPWRFBC-UHFFFAOYSA-N 0 1 345.374 2.523 20 10 EFCDMN Cc1c2ccccc2n(C)c1CNC(=O)N1CCN2CCCC[C@H]2C1 ZINC000472231530 478013027 /nfs/dbraw/zinc/01/30/27/478013027.db2.gz HHVPXMNXBOAETE-INIZCTEOSA-N 0 1 340.471 2.866 20 10 EFCDMN CCn1nncc1C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000527920675 478571252 /nfs/dbraw/zinc/57/12/52/478571252.db2.gz QIIJWWDBYLMLJU-VIFPVBQESA-N 0 1 325.210 2.617 20 10 EFCDMN CNCc1noc(Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)n1 ZINC000583191537 478786829 /nfs/dbraw/zinc/78/68/29/478786829.db2.gz ZZUTWGBRYDFILL-UHFFFAOYSA-N 0 1 339.443 2.559 20 10 EFCDMN COc1ccc(N2CCCN(Cc3cccc(OC)n3)CC2)cc1 ZINC000171825435 534003231 /nfs/dbraw/zinc/00/32/31/534003231.db2.gz JOPPIUNQIDVYLZ-UHFFFAOYSA-N 0 1 327.428 2.811 20 10 EFCDMN CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)c1cc(Br)ccc1[O-] ZINC000036794311 522683948 /nfs/dbraw/zinc/68/39/48/522683948.db2.gz AHKAGAAMLOZJEJ-CABZTGNLSA-N 0 1 329.238 2.672 20 10 EFCDMN CC(C)C(=O)NCC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000184869559 527509917 /nfs/dbraw/zinc/50/99/17/527509917.db2.gz KYCLIMVEOUKAMF-JTQLQIEISA-N 0 1 329.238 2.578 20 10 EFCDMN CC[C@@H](C)NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000171693508 529365173 /nfs/dbraw/zinc/36/51/73/529365173.db2.gz XKDZNNREFMAVFS-CQSZACIVSA-N 0 1 336.455 2.565 20 10 EFCDMN COc1cc(O)c(CN2CC[C@H](n3cc(Cl)cn3)C2)cc1OC ZINC000290929666 536857080 /nfs/dbraw/zinc/85/70/80/536857080.db2.gz OUUHQXOSTVEMQJ-ZDUSSCGKSA-N 0 1 337.807 2.706 20 10 EFCDMN O=S(=O)(Nc1ccc(N2CCCC2)cc1)c1cccc2nonc21 ZINC000753924702 575359805 /nfs/dbraw/zinc/35/98/05/575359805.db2.gz YEHVTNRMIAFQEB-UHFFFAOYSA-N 0 1 344.396 2.624 20 10 EFCDMN COc1cc(C)cc(CN2CCCN(CC(F)(F)F)CC2)c1O ZINC000754732673 575479882 /nfs/dbraw/zinc/47/98/82/575479882.db2.gz UFEAPZYDSIKHKR-UHFFFAOYSA-N 0 1 332.366 2.779 20 10 EFCDMN CCN(CCNC(=O)N(C)Cc1ccccc1O)CCC(F)(F)F ZINC000755851142 575645560 /nfs/dbraw/zinc/64/55/60/575645560.db2.gz HPDUTXAUEIOZOS-UHFFFAOYSA-N 0 1 347.381 2.808 20 10 EFCDMN CC(C)[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])N1CCN(C)CC1 ZINC000756399522 575731114 /nfs/dbraw/zinc/73/11/14/575731114.db2.gz QLMSGUXUPJCGSC-SUMWQHHRSA-N 0 1 341.446 2.593 20 10 EFCDMN CCN(CC)C(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000756460284 575742555 /nfs/dbraw/zinc/74/25/55/575742555.db2.gz ZISNYOHKLAKVBI-JTQLQIEISA-N 0 1 329.238 2.674 20 10 EFCDMN C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756459914 575742645 /nfs/dbraw/zinc/74/26/45/575742645.db2.gz QECCXDGDHRYRHZ-QWRGUYRKSA-N 0 1 333.259 2.806 20 10 EFCDMN C[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000756561316 575762562 /nfs/dbraw/zinc/76/25/62/575762562.db2.gz ARINEWBTOQSZDU-NWDGAFQWSA-N 0 1 344.249 2.858 20 10 EFCDMN COCCOC[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000756731437 575782020 /nfs/dbraw/zinc/78/20/20/575782020.db2.gz AKRMQSPXKMSZBL-MNOVXSKESA-N 0 1 332.238 2.857 20 10 EFCDMN COc1cc(Br)cc(CNCc2cc(C)ncn2)c1O ZINC000756989606 575808353 /nfs/dbraw/zinc/80/83/53/575808353.db2.gz FDDIVENIWAUZIQ-UHFFFAOYSA-N 0 1 338.205 2.552 20 10 EFCDMN C[C@H]([NH2+][C@H](CO)C1CCOCC1)c1ccc(Br)cc1[O-] ZINC000757659897 575848113 /nfs/dbraw/zinc/84/81/13/575848113.db2.gz UGOYKMPERUXWDP-IINYFYTJSA-N 0 1 344.249 2.593 20 10 EFCDMN C[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccc(Br)cc1[O-] ZINC000757659899 575848152 /nfs/dbraw/zinc/84/81/52/575848152.db2.gz UGOYKMPERUXWDP-YGRLFVJLSA-N 0 1 344.249 2.593 20 10 EFCDMN COc1ccc(CNCc2ccc3c(c2)CCS3(=O)=O)cc1C ZINC000757693805 575850116 /nfs/dbraw/zinc/85/01/16/575850116.db2.gz OOFWYMBDTIJTOH-UHFFFAOYSA-N 0 1 331.437 2.623 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)CC3(C)CC3)cc2F)CC1 ZINC000757932616 575856128 /nfs/dbraw/zinc/85/61/28/575856128.db2.gz NPAYCYGGDHYWKK-UHFFFAOYSA-N 0 1 333.451 2.774 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H]3CC34CCC4)cc2F)CC1 ZINC000759783069 575933764 /nfs/dbraw/zinc/93/37/64/575933764.db2.gz GFQMDMRCCMZSJG-INIZCTEOSA-N 0 1 345.462 2.774 20 10 EFCDMN COc1ccc2ccc(O)c(CN3CCC(S(C)(=O)=O)CC3)c2c1 ZINC000760396384 576017516 /nfs/dbraw/zinc/01/75/16/576017516.db2.gz KRPCQNPBXVQEGP-UHFFFAOYSA-N 0 1 349.452 2.563 20 10 EFCDMN CCCC(=O)NC1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000761192551 576128050 /nfs/dbraw/zinc/12/80/50/576128050.db2.gz RPAFPRPLUIJRER-UHFFFAOYSA-N 0 1 340.851 2.935 20 10 EFCDMN CO[C@]1(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])CCOC1 ZINC000763572740 576381531 /nfs/dbraw/zinc/38/15/31/576381531.db2.gz OKTRXGRMQVOFCU-HZMBPMFUSA-N 0 1 330.222 2.611 20 10 EFCDMN C[N@@H+](CCCNC(=O)C1CCC1)Cc1cc(Cl)cc(F)c1[O-] ZINC000763621074 576382976 /nfs/dbraw/zinc/38/29/76/576382976.db2.gz AVWLZOPXSMROLC-UHFFFAOYSA-N 0 1 328.815 2.923 20 10 EFCDMN COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1 ZINC000764661876 576486730 /nfs/dbraw/zinc/48/67/30/576486730.db2.gz XFBCQBCTAMKDQW-JTQLQIEISA-N 0 1 347.342 2.841 20 10 EFCDMN C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cncs1 ZINC000765256534 577023999 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COC(=O)C[C@@H]1CSCCN1Cc1cc(Cl)c(C)cc1O ZINC000824856327 1278316174 /nfs/dbraw/zinc/31/61/74/1278316174.db2.gz VTUJSMWBYWDMCF-GFCCVEGCSA-N 0 1 329.849 2.835 20 10 EFCDMN COc1c([O-])c(C[N@H+](C)[C@H]2C[C@@H](OC)C23CCC3)ccc1[N+](=O)[O-] ZINC000825104431 1278399087 /nfs/dbraw/zinc/39/90/87/1278399087.db2.gz WWOZWAMWDDLYHY-UONOGXRCSA-N 0 1 336.388 2.698 20 10 EFCDMN C[C@@H]1C[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])CCCO1 ZINC000738163561 1268384188 /nfs/dbraw/zinc/38/41/88/1268384188.db2.gz ZKVHNPYAIBXHFW-CQSZACIVSA-N 0 1 341.407 2.940 20 10 EFCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2C[C@@H](C)C[C@H]2C)c1 ZINC000740857660 1269136120 /nfs/dbraw/zinc/13/61/20/1269136120.db2.gz AKMLCOSUYOFPKZ-LSDHHAIUSA-N 0 1 346.471 2.657 20 10 EFCDMN COc1ncc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1C ZINC001137004544 1278465282 /nfs/dbraw/zinc/46/52/82/1278465282.db2.gz CXUWQCSFUVIYFC-UHFFFAOYSA-N 0 1 341.455 2.867 20 10 EFCDMN CC(C)=CCN1CC[C@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994700 1269449946 /nfs/dbraw/zinc/44/99/46/1269449946.db2.gz RXMPWFOAPKUCNP-INIZCTEOSA-N 0 1 343.431 2.962 20 10 EFCDMN CCN(CC)c1ccc(CN(C)[C@H](C)C(=O)NC(=O)NC(C)C)cc1 ZINC000741678331 1269655233 /nfs/dbraw/zinc/65/52/33/1269655233.db2.gz OOIXTKDMWFCIEE-OAHLLOKOSA-N 0 1 348.491 2.587 20 10 EFCDMN C[C@@H]1C[C@H](O)CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000825312651 1278516211 /nfs/dbraw/zinc/51/62/11/1278516211.db2.gz WEZMMRQPXHZUFO-ZBFHGGJFSA-N 0 1 333.432 2.788 20 10 EFCDMN Cc1cc(C(=O)NCCc2nc[nH]n2)c(C)n1-c1cccc(Cl)c1 ZINC000742200599 1269931972 /nfs/dbraw/zinc/93/19/72/1269931972.db2.gz LCXLEHLCNYAVSN-UHFFFAOYSA-N 0 1 343.818 2.838 20 10 EFCDMN CON(C)C(=O)[C@H](CCSC)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825364686 1278523289 /nfs/dbraw/zinc/52/32/89/1278523289.db2.gz ANEFJBUZRFUKRQ-ZDUSSCGKSA-N 0 1 346.880 2.585 20 10 EFCDMN CCCCC[N@H+](CC(N)=O)Cc1ccc(Br)cc1[O-] ZINC000825468979 1278559063 /nfs/dbraw/zinc/55/90/63/1278559063.db2.gz RHVFZJQSQYSNIV-UHFFFAOYSA-N 0 1 329.238 2.632 20 10 EFCDMN CCCCC[N@@H+](CC(N)=O)Cc1ccc(Br)cc1[O-] ZINC000825468979 1278559076 /nfs/dbraw/zinc/55/90/76/1278559076.db2.gz RHVFZJQSQYSNIV-UHFFFAOYSA-N 0 1 329.238 2.632 20 10 EFCDMN CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825502575 1278573913 /nfs/dbraw/zinc/57/39/13/1278573913.db2.gz YRQDGWOOVPUUCC-VHSXEESVSA-N 0 1 330.222 2.832 20 10 EFCDMN CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825502572 1278574003 /nfs/dbraw/zinc/57/40/03/1278574003.db2.gz YRQDGWOOVPUUCC-NXEZZACHSA-N 0 1 330.222 2.832 20 10 EFCDMN Cc1cc([O-])c(C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)cc1Cl ZINC000825520290 1278582159 /nfs/dbraw/zinc/58/21/59/1278582159.db2.gz ZMEXKYKXSMPWPR-MRXNPFEDSA-N 0 1 329.824 2.536 20 10 EFCDMN O=C(c1ccccn1)N1CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792162440 1278599397 /nfs/dbraw/zinc/59/93/97/1278599397.db2.gz IUJCXCFUAKIHMF-UHFFFAOYSA-N 0 1 349.793 2.538 20 10 EFCDMN COC(=O)[C@@H](COC(C)C)N(C)Cc1c(O)ccc(Cl)c1F ZINC000792173428 1278615420 /nfs/dbraw/zinc/61/54/20/1278615420.db2.gz VXTKZKJLDWQOMN-GFCCVEGCSA-N 0 1 333.787 2.583 20 10 EFCDMN COC(=O)[C@H](CC(F)(F)F)NCc1c(O)ccc(Cl)c1F ZINC000792178362 1278620527 /nfs/dbraw/zinc/62/05/27/1278620527.db2.gz CVRPIGZCZDPONW-QMMMGPOBSA-N 0 1 329.677 2.768 20 10 EFCDMN C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000702603463 1271554620 /nfs/dbraw/zinc/55/46/20/1271554620.db2.gz NDVGXCUEBIAPDZ-UZLBHIALSA-N 0 1 326.440 2.680 20 10 EFCDMN CC1(C)CCN(Cc2cccc(Br)c2O)CC[S@]1=O ZINC000322174766 1273032579 /nfs/dbraw/zinc/03/25/79/1273032579.db2.gz XZWVIZJWAWVAQW-LJQANCHMSA-N 0 1 346.290 2.888 20 10 EFCDMN CC(C)(C)C(=O)Nc1ccc(N)nc1NCc1ccc(O)c(O)c1 ZINC001169990709 1274069090 /nfs/dbraw/zinc/06/90/90/1274069090.db2.gz MDVUTNNMPCAVTQ-UHFFFAOYSA-N 0 1 330.388 2.672 20 10 EFCDMN C[C@H]([NH2+]Cc1ccc(Br)cc1[O-])C(=O)NC(C)(C)C ZINC000691500325 1274731759 /nfs/dbraw/zinc/73/17/59/1274731759.db2.gz GDIKRZQNUZERQZ-VIFPVBQESA-N 0 1 329.238 2.548 20 10 EFCDMN CC[C@H](C)NC(=O)CC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691503142 1274779459 /nfs/dbraw/zinc/77/94/59/1274779459.db2.gz YAMJSNKMJOIQGD-JTQLQIEISA-N 0 1 329.238 2.549 20 10 EFCDMN C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000785988764 1275267577 /nfs/dbraw/zinc/26/75/77/1275267577.db2.gz NSAFBRCBGVRPPS-GIPNMCIBSA-N 0 1 328.796 2.935 20 10 EFCDMN CC(=O)NCC1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000707145841 1275318074 /nfs/dbraw/zinc/31/80/74/1275318074.db2.gz IVKHABPWXXHZPU-UHFFFAOYSA-N 0 1 341.249 2.503 20 10 EFCDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000746593841 1275469046 /nfs/dbraw/zinc/46/90/46/1275469046.db2.gz QULYZGGTCZHZRH-UHFFFAOYSA-N 0 1 344.312 2.872 20 10 EFCDMN CN1CCCC[C@@H]1c1ccc(NCC(=O)c2ccc(O)c(O)c2)nc1 ZINC001170316698 1279009182 /nfs/dbraw/zinc/00/91/82/1279009182.db2.gz YXXXLBYMSOLGBG-OAHLLOKOSA-N 0 1 341.411 2.944 20 10 EFCDMN CCN(CC)Cc1cncc(NCC(=O)c2ccc(O)c(O)c2)c1 ZINC001170322958 1279015167 /nfs/dbraw/zinc/01/51/67/1279015167.db2.gz PSPSRIGHIRPJTL-UHFFFAOYSA-N 0 1 329.400 2.629 20 10 EFCDMN CN(C)c1nc(NCc2ccc(N(C)C)cc2C(F)(F)F)n[nH]1 ZINC000818214830 1276492029 /nfs/dbraw/zinc/49/20/29/1276492029.db2.gz NHFZXMVOHHTBID-UHFFFAOYSA-N 0 1 328.342 2.568 20 10 EFCDMN COc1ccc(N2CC[C@@H](CNCc3cn(C(C)(C)C)nn3)C2)cc1 ZINC000818222799 1276492872 /nfs/dbraw/zinc/49/28/72/1276492872.db2.gz WCDGBHOPHDFEAT-HNNXBMFYSA-N 0 1 343.475 2.658 20 10 EFCDMN CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819583472 1276824679 /nfs/dbraw/zinc/82/46/79/1276824679.db2.gz WVVBDOSHLIXDCE-QFBILLFUSA-N 0 1 345.487 2.512 20 10 EFCDMN CCOC(=O)[C@H](NCc1cc(Cl)cc(F)c1O)C1CCOCC1 ZINC000789581098 1276829650 /nfs/dbraw/zinc/82/96/50/1276829650.db2.gz OMNYHZDGWIPPKE-CQSZACIVSA-N 0 1 345.798 2.633 20 10 EFCDMN Cc1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)nc1 ZINC000789593906 1276870776 /nfs/dbraw/zinc/87/07/76/1276870776.db2.gz CCHUZOMICGBEFA-UHFFFAOYSA-N 0 1 329.419 2.998 20 10 EFCDMN Cc1ccc(CN(C)Cc2ccc(N3CCOCC3)c(F)c2)nc1 ZINC000789593906 1276870794 /nfs/dbraw/zinc/87/07/94/1276870794.db2.gz CCHUZOMICGBEFA-UHFFFAOYSA-N 0 1 329.419 2.998 20 10 EFCDMN Cc1cc(CC(=O)Nc2c(-c3ccccn3)nc3ccccn32)n[nH]1 ZINC000820006448 1276969121 /nfs/dbraw/zinc/96/91/21/1276969121.db2.gz YCLWEANTHXGYEU-UHFFFAOYSA-N 0 1 332.367 2.609 20 10 EFCDMN CC1CCC([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)(C(=O)[O-])CC1 ZINC000789897565 1277083383 /nfs/dbraw/zinc/08/33/83/1277083383.db2.gz LCNAZDZWMCQQLL-UHFFFAOYSA-N 0 1 345.487 2.562 20 10 EFCDMN C[C@@H]1CCC[C@@]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)(C(=O)[O-])C1 ZINC000789902446 1277088962 /nfs/dbraw/zinc/08/89/62/1277088962.db2.gz NZRXVVGGQXKHDS-UZLBHIALSA-N 0 1 345.487 2.562 20 10 EFCDMN COc1ccc(O)c([C@H](C)NC(=O)c2cc(F)cc3nc[nH]c32)c1 ZINC000103529515 1279029721 /nfs/dbraw/zinc/02/97/21/1279029721.db2.gz BWMFDVWCUJUMDG-VIFPVBQESA-N 0 1 329.331 2.907 20 10 EFCDMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCC2CC2)cc1 ZINC000790215246 1277356723 /nfs/dbraw/zinc/35/67/23/1277356723.db2.gz JZEXXJFINWNDAK-PDGQHHTCSA-N 0 1 334.375 2.937 20 10 EFCDMN COc1ccc(O)c([C@H](C)NC(=O)CN(C)CCc2ccccc2)c1 ZINC000821064530 1277425455 /nfs/dbraw/zinc/42/54/55/1277425455.db2.gz CPDUWIZNZNUTRQ-HNNXBMFYSA-N 0 1 342.439 2.753 20 10 EFCDMN Cc1noc(C(C)(C)NCc2cccc(Br)c2O)n1 ZINC000790622078 1277700602 /nfs/dbraw/zinc/70/06/02/1277700602.db2.gz IKOWAEMBKDOZMR-UHFFFAOYSA-N 0 1 326.194 2.871 20 10 EFCDMN C[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC2(CCOCC2)O1 ZINC000790931522 1277852261 /nfs/dbraw/zinc/85/22/61/1277852261.db2.gz ZSUUEEVBAVHIGH-NSHDSACASA-N 0 1 329.799 2.955 20 10 EFCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC2(CCOCC2)O1 ZINC000790931522 1277852264 /nfs/dbraw/zinc/85/22/64/1277852264.db2.gz ZSUUEEVBAVHIGH-NSHDSACASA-N 0 1 329.799 2.955 20 10 EFCDMN C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H](C)O2 ZINC000790933296 1277853312 /nfs/dbraw/zinc/85/33/12/1277853312.db2.gz ZPRYGQFDLBHZHH-OHUAYANFSA-N 0 1 329.799 2.953 20 10 EFCDMN C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H](C)O2 ZINC000790933296 1277853314 /nfs/dbraw/zinc/85/33/14/1277853314.db2.gz ZPRYGQFDLBHZHH-OHUAYANFSA-N 0 1 329.799 2.953 20 10 EFCDMN C[C@H]1OCC[C@]12C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H](C)O2 ZINC000790933298 1277853421 /nfs/dbraw/zinc/85/34/21/1277853421.db2.gz ZPRYGQFDLBHZHH-UVWXRNBGSA-N 0 1 329.799 2.953 20 10 EFCDMN C[C@H]1OCC[C@]12C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H](C)O2 ZINC000790933298 1277853422 /nfs/dbraw/zinc/85/34/22/1277853422.db2.gz ZPRYGQFDLBHZHH-UVWXRNBGSA-N 0 1 329.799 2.953 20 10 EFCDMN CC(C)CN1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000746985063 1277976058 /nfs/dbraw/zinc/97/60/58/1277976058.db2.gz LHZWHVHODBJOSO-UHFFFAOYSA-N 0 1 344.503 2.552 20 10 EFCDMN CSc1cc(O)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000792702874 1279127744 /nfs/dbraw/zinc/12/77/44/1279127744.db2.gz GVWJVJKGZNUEME-UHFFFAOYSA-N 0 1 340.382 2.823 20 10 EFCDMN COc1ccc(N2CCCN(CN3C(=O)CC34CCCC4)CC2)cc1 ZINC000844687522 1279187943 /nfs/dbraw/zinc/18/79/43/1279187943.db2.gz ACFREYSGIHBAER-UHFFFAOYSA-N 0 1 343.471 2.710 20 10 EFCDMN Oc1cc(F)c(Br)cc1CN1CCOCC(F)(F)C1 ZINC001144298428 1279386277 /nfs/dbraw/zinc/38/62/77/1279386277.db2.gz DGJVGJBMPVSXJE-UHFFFAOYSA-N 0 1 340.139 2.761 20 10 EFCDMN Cc1nc(CN(C)Cc2cc(Br)c(F)cc2O)no1 ZINC001144299434 1279386703 /nfs/dbraw/zinc/38/67/03/1279386703.db2.gz WTQCYQOMIZBEET-UHFFFAOYSA-N 0 1 330.157 2.617 20 10 EFCDMN O=C1CCN(Cc2cc(Br)c(F)cc2O)CC[C@H]1F ZINC001144298972 1279387781 /nfs/dbraw/zinc/38/77/81/1279387781.db2.gz NNAKLROYVPATGO-SNVBAGLBSA-N 0 1 334.160 2.797 20 10 EFCDMN O=C1CN(Cc2cc(Br)c(F)cc2O)CCC[C@H]1F ZINC001144299203 1279387985 /nfs/dbraw/zinc/38/79/85/1279387985.db2.gz RJTRBFFQLHXIMB-SNVBAGLBSA-N 0 1 334.160 2.797 20 10 EFCDMN CCOC(=O)[C@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144306396 1279403574 /nfs/dbraw/zinc/40/35/74/1279403574.db2.gz ADLIOSWRUAAPOG-VIFPVBQESA-N 0 1 346.196 2.679 20 10 EFCDMN C[N@H+]1C[C@H]2CCCN(Cc3cc(Br)c(F)cc3[O-])[C@@H]2C1 ZINC001144306403 1279403913 /nfs/dbraw/zinc/40/39/13/1279403913.db2.gz AIYLLZMDGLUMSC-QMTHXVAHSA-N 0 1 343.240 2.820 20 10 EFCDMN C[N@H+]1C[C@@H]2CCCN(Cc3cc(Br)c(F)cc3[O-])[C@@H]2C1 ZINC001144306402 1279403950 /nfs/dbraw/zinc/40/39/50/1279403950.db2.gz AIYLLZMDGLUMSC-IINYFYTJSA-N 0 1 343.240 2.820 20 10 EFCDMN CN(Cc1cc(I)c[nH]1)Cc1ccccc1O ZINC001144401375 1279540881 /nfs/dbraw/zinc/54/08/81/1279540881.db2.gz DQXIAIGDHDMYRP-UHFFFAOYSA-N 0 1 342.180 2.957 20 10 EFCDMN Oc1ccc(Br)cc1CNc1ccc2c(n1)NCCO2 ZINC001171176652 1279572387 /nfs/dbraw/zinc/57/23/87/1279572387.db2.gz UINVOTXALJOFFQ-UHFFFAOYSA-N 0 1 336.189 2.966 20 10 EFCDMN CCOc1ccc([N+](=O)[O-])cc1CNCc1ccc(OC)cc1O ZINC000793386688 1279613690 /nfs/dbraw/zinc/61/36/90/1279613690.db2.gz XMEXYYAJPBAWIE-UHFFFAOYSA-N 0 1 332.356 2.998 20 10 EFCDMN Oc1cc(O)c(CN2CCc3nn(-c4ccccc4)cc3C2)c(O)c1 ZINC001144515622 1279778106 /nfs/dbraw/zinc/77/81/06/1279778106.db2.gz SXHMPIWQIKGREO-UHFFFAOYSA-N 0 1 337.379 2.547 20 10 EFCDMN Cc1cc(O)c(CN2CC[C@H](CS(C)(=O)=O)C2)cc1C(C)C ZINC000793695646 1279830128 /nfs/dbraw/zinc/83/01/28/1279830128.db2.gz JAOJCZLQZYRFHT-AWEZNQCLSA-N 0 1 325.474 2.691 20 10 EFCDMN C[C@@H]1CN(c2cccc(F)c2)CCN1Cc1cc2c(cc1O)OCO2 ZINC000793734698 1279850477 /nfs/dbraw/zinc/85/04/77/1279850477.db2.gz YCSZRCVYSJYKNO-CYBMUJFWSA-N 0 1 344.386 2.971 20 10 EFCDMN C[N@@H+](Cc1sccc1C(=O)[O-])Cc1ccc(N2CCOCC2)cc1 ZINC001144677887 1279991935 /nfs/dbraw/zinc/99/19/35/1279991935.db2.gz GSWUFKFXAYKWRU-UHFFFAOYSA-N 0 1 346.452 2.915 20 10 EFCDMN COC(=O)[C@H](NCc1cccc(Cl)c1O)[C@H]1CCC[C@H](OC)C1 ZINC000846108576 1280020591 /nfs/dbraw/zinc/02/05/91/1280020591.db2.gz OZMXBZBACQDUNM-CORIIIEPSA-N 0 1 341.835 2.882 20 10 EFCDMN CCN1C[C@H](C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1=O ZINC000846210527 1280054241 /nfs/dbraw/zinc/05/42/41/1280054241.db2.gz YYMISGOLJIACLT-QWRGUYRKSA-N 0 1 341.249 2.674 20 10 EFCDMN CCN1C[C@@H](C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1=O ZINC000846210529 1280054738 /nfs/dbraw/zinc/05/47/38/1280054738.db2.gz YYMISGOLJIACLT-WDEREUQCSA-N 0 1 341.249 2.674 20 10 EFCDMN 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0 1 329.187 2.730 20 10 EFCDMN Cc1cc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)n[nH]1 ZINC000805141082 1280455855 /nfs/dbraw/zinc/45/58/55/1280455855.db2.gz ZNCZEJGDXXOFNR-UHFFFAOYSA-N 0 1 329.187 2.730 20 10 EFCDMN C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCOC1 ZINC000805154945 1280462360 /nfs/dbraw/zinc/46/23/60/1280462360.db2.gz RNMRMHVVVZVEJI-BDAKNGLRSA-N 0 1 333.215 2.923 20 10 EFCDMN Cc1c(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cnn1C ZINC000805234096 1280481560 /nfs/dbraw/zinc/48/15/60/1280481560.db2.gz WHBCVLTUOLLNDA-UHFFFAOYSA-N 0 1 343.214 2.740 20 10 EFCDMN Oc1c(Cl)cc(Cl)cc1CNC(=S)NC1CCOCC1 ZINC000806599626 1281104411 /nfs/dbraw/zinc/10/44/11/1281104411.db2.gz VOZUDTUSEJPQBS-UHFFFAOYSA-N 0 1 335.256 2.842 20 10 EFCDMN CC[N@H+]1CCC[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000806855455 1281164816 /nfs/dbraw/zinc/16/48/16/1281164816.db2.gz MIRDMWQLAUSNSK-LBPRGKRZSA-N 0 1 346.258 2.983 20 10 EFCDMN CC(C)(C)CC(=O)NCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807833875 1281445897 /nfs/dbraw/zinc/44/58/97/1281445897.db2.gz 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CCOCc1noc2c1CN(Cc1ccc(N(C)C)cc1O)CC2 ZINC001232837484 1312791865 /nfs/dbraw/zinc/79/18/65/1312791865.db2.gz ISHDGYBFSGCSEG-UHFFFAOYSA-N 0 1 331.416 2.541 20 10 EFCDMN CCOCc1ncn2c1C[N@@H+](Cc1ccc(N(C)C)cc1O)CCC2 ZINC001232839723 1312792685 /nfs/dbraw/zinc/79/26/85/1312792685.db2.gz VIWUQJCDGIDIRY-UHFFFAOYSA-N 0 1 344.459 2.597 20 10 EFCDMN CCOCc1ncn2c1CN(Cc1ccc(N(C)C)cc1O)CCC2 ZINC001232839723 1312792689 /nfs/dbraw/zinc/79/26/89/1312792689.db2.gz VIWUQJCDGIDIRY-UHFFFAOYSA-N 0 1 344.459 2.597 20 10 EFCDMN COC(=O)[C@H](Cc1ccccc1)N(C)Cc1ccc(N(C)C)cc1O ZINC001232840930 1312793224 /nfs/dbraw/zinc/79/32/24/1312793224.db2.gz NENPKRXZGBPZHQ-SFHVURJKSA-N 0 1 342.439 2.674 20 10 EFCDMN CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000092101057 1290645484 /nfs/dbraw/zinc/64/54/84/1290645484.db2.gz RGGMRPNKKSNFQQ-NSHDSACASA-N 0 1 331.243 2.999 20 10 EFCDMN O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1c(F)ccc(O)c1[O-] ZINC000825849428 1290812455 /nfs/dbraw/zinc/81/24/55/1290812455.db2.gz 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CCc1cccc(CN2CCC[C@@H]2C(=O)NCc2ccco2)c1O ZINC000848881402 1334958433 /nfs/dbraw/zinc/95/84/33/1334958433.db2.gz OKAFPJYWKSWZDP-QGZVFWFLSA-N 0 1 328.412 2.828 20 10 EFCDMN CCc1cccc(CNc2ccc(N3CCN(C)CC3)nc2)c1O ZINC000848890320 1334965037 /nfs/dbraw/zinc/96/50/37/1334965037.db2.gz GVNIOZRWIZZGPH-UHFFFAOYSA-N 0 1 326.444 2.714 20 10 EFCDMN COC(=O)/C=C\c1ccc(CNCc2ccc(N(C)C)c(F)c2)o1 ZINC000848893784 1334966253 /nfs/dbraw/zinc/96/62/53/1334966253.db2.gz CMRLBRDDSRQBPC-CLFYSBASSA-N 0 1 332.375 2.961 20 10 EFCDMN COCC[N@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@@H](O)C(F)(F)F ZINC000848921793 1334986582 /nfs/dbraw/zinc/98/65/82/1334986582.db2.gz GIWIVODNNLNTIR-GFCCVEGCSA-N 0 1 345.720 2.556 20 10 EFCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000848929780 1334994137 /nfs/dbraw/zinc/99/41/37/1334994137.db2.gz IIIIXKDRLFZHRI-OAHLLOKOSA-N 0 1 342.842 2.871 20 10 EFCDMN c1csc(SCCC[NH2+]Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC000738409514 1425988074 /nfs/dbraw/zinc/98/80/74/1425988074.db2.gz 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/nfs/dbraw/zinc/68/39/54/996683954.db2.gz JHQKLWUUGPMDPW-UHFFFAOYSA-N 0 1 343.807 2.522 20 10 EFCDMN CO[C@]1(C(=O)[O-])CC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC001599079115 996953828 /nfs/dbraw/zinc/95/38/28/996953828.db2.gz OBDVHUIABQDPON-LJQANCHMSA-N 0 1 345.395 2.693 20 10 EFCDMN COc1cc(C)cc(C[N@@H+](C)Cc2ccc(OCC(=O)[O-])cc2)c1O ZINC001599392110 997057003 /nfs/dbraw/zinc/05/70/03/997057003.db2.gz MQOJLKPFOGPMNB-UHFFFAOYSA-N 0 1 345.395 2.805 20 10 EFCDMN COc1cc(C)cc(C[N@H+]2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c1O ZINC001599392396 997062227 /nfs/dbraw/zinc/06/22/27/997062227.db2.gz NTBHBSMAGZJGLO-FQEVSTJZSA-N 0 1 341.407 2.938 20 10 EFCDMN COc1cc(C)cc(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c1O ZINC001599392579 997064969 /nfs/dbraw/zinc/06/49/69/997064969.db2.gz OBOSPNCGCIYDIC-NEPJUHHUSA-N 0 1 347.333 2.794 20 10 EFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H](CO)Cc1ccccc1 ZINC000691431973 1126106433 /nfs/dbraw/zinc/10/64/33/1126106433.db2.gz XXBVDLFJBOYCJI-HNNXBMFYSA-N 0 1 336.229 2.848 20 10 EFCDMN Cc1cc(CN)oc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001579598039 1090640283 /nfs/dbraw/zinc/64/02/83/1090640283.db2.gz YLDZZCFHLBBXIU-UHFFFAOYSA-N 0 1 327.428 2.967 20 10 EFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccnc2c1CCN2 ZINC001580708462 1090989890 /nfs/dbraw/zinc/98/98/90/1090989890.db2.gz QOCVLSXNMPSJRW-UHFFFAOYSA-N 0 1 338.194 2.531 20 10 EFCDMN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCC[C@@H](C(F)(F)F)[C@H]1CO ZINC001140582482 1092980848 /nfs/dbraw/zinc/98/08/48/1092980848.db2.gz JHRKNRCDBLTDKW-ZYHUDNBSSA-N 0 1 325.277 2.806 20 10 EFCDMN Cc1cc(N(C)C)ccc1C[NH2+]Cc1csc(-c2nnn[n-]2)c1 ZINC001591995704 1093950680 /nfs/dbraw/zinc/95/06/80/1093950680.db2.gz SZNDUAXLWZZJOF-UHFFFAOYSA-N 0 1 328.445 2.592 20 10 EFCDMN Cc1cc(N(C)C)ccc1C[NH2+]Cc1csc(-c2nn[n-]n2)c1 ZINC001591995704 1093950682 /nfs/dbraw/zinc/95/06/82/1093950682.db2.gz SZNDUAXLWZZJOF-UHFFFAOYSA-N 0 1 328.445 2.592 20 10 EFCDMN Cc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1-c1nn[nH]n1 ZINC001592165619 1094011312 /nfs/dbraw/zinc/01/13/12/1094011312.db2.gz FOGIYNKNOXDFAY-UHFFFAOYSA-N 0 1 329.791 2.824 20 10 EFCDMN Oc1ccc(Cl)cc1CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001593540241 1094352409 /nfs/dbraw/zinc/35/24/09/1094352409.db2.gz BFTCZGLCCUHGLH-UHFFFAOYSA-N 0 1 343.199 2.948 20 10 EFCDMN Cc1cc(Br)c(O)c(C[NH2+][C@H]2CCC[C@@H]2C(=O)[O-])c1 ZINC001600071336 1094751659 /nfs/dbraw/zinc/75/16/59/1094751659.db2.gz SAZCEFVJHMULNI-JQWIXIFHSA-N 0 1 328.206 2.806 20 10 EFCDMN COC(=O)CC[N@@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC001141375131 1094925591 /nfs/dbraw/zinc/92/55/91/1094925591.db2.gz XJXDKNQUBWPGIA-UHFFFAOYSA-N 0 1 336.613 2.803 20 10 EFCDMN O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001601706732 1095850796 /nfs/dbraw/zinc/85/07/96/1095850796.db2.gz BZBQCUPRKWFNJV-LBPRGKRZSA-N 0 1 325.233 2.509 20 10 EFCDMN O=C([O-])[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001601706732 1095850814 /nfs/dbraw/zinc/85/08/14/1095850814.db2.gz BZBQCUPRKWFNJV-LBPRGKRZSA-N 0 1 325.233 2.509 20 10 EFCDMN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H](O)c1ccccc1 ZINC001602056929 1096046184 /nfs/dbraw/zinc/04/61/84/1096046184.db2.gz CHXQDQJWGSQJCX-INIZCTEOSA-N 0 1 335.787 2.666 20 10 EFCDMN O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC001602174371 1096102791 /nfs/dbraw/zinc/10/27/91/1096102791.db2.gz KMPPWBDZGFYAHF-GJZGRUSLSA-N 0 1 341.363 2.911 20 10 EFCDMN C[C@@H](Nc1cc(C(=O)[O-])cc[nH+]1)c1ccc(N2CCOCC2)cc1 ZINC001604363593 1096830290 /nfs/dbraw/zinc/83/02/90/1096830290.db2.gz KBCYNMLFZFOITH-CYBMUJFWSA-N 0 1 327.384 2.790 20 10 EFCDMN C[C@H]1CC[N@H+](Cc2cccc(Br)c2O)[C@@H](C(=O)[O-])C1 ZINC001604753628 1096947785 /nfs/dbraw/zinc/94/77/85/1096947785.db2.gz FWNJNPITNVRTIP-JOYOIKCWSA-N 0 1 328.206 2.840 20 10 EFCDMN C[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)[C@@H](C(=O)[O-])C1 ZINC001604753628 1096947788 /nfs/dbraw/zinc/94/77/88/1096947788.db2.gz FWNJNPITNVRTIP-JOYOIKCWSA-N 0 1 328.206 2.840 20 10 EFCDMN CN(C)c1ccc(/C=C\C[N@H+](C)[C@@H](COC2CCC2)C(=O)[O-])cc1 ZINC001606054328 1097308390 /nfs/dbraw/zinc/30/83/90/1097308390.db2.gz SWPCMHVKZKEUGE-XFHJGTJQSA-N 0 1 332.444 2.720 20 10 EFCDMN CN(C)c1ccc(/C=C\C[N@@H+](C)[C@@H](COC2CCC2)C(=O)[O-])cc1 ZINC001606054328 1097308396 /nfs/dbraw/zinc/30/83/96/1097308396.db2.gz SWPCMHVKZKEUGE-XFHJGTJQSA-N 0 1 332.444 2.720 20 10 EFCDMN COc1ccc(C[N@@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)c(O)c1OC ZINC001607251942 1097575741 /nfs/dbraw/zinc/57/57/41/1097575741.db2.gz GBGKECUKKSFBRX-OAHLLOKOSA-N 0 1 343.379 2.593 20 10 EFCDMN COc1ccc(N2CCC[N@@H+](Cc3cc(C)c(C(=O)[O-])[nH]3)CC2)cc1 ZINC001607269064 1097579450 /nfs/dbraw/zinc/57/94/50/1097579450.db2.gz CCHIJWJWJHPXED-UHFFFAOYSA-N 0 1 343.427 2.742 20 10 EFCDMN COc1ccc(N(C)CC[N@@H+](C)Cc2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC001607268524 1097580118 /nfs/dbraw/zinc/58/01/18/1097580118.db2.gz ZJRBQVBVGMFHAC-ZHACJKMWSA-N 0 1 344.411 2.954 20 10 EFCDMN O=C([O-])[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccc2c(c1)CCO2 ZINC001608547822 1097948679 /nfs/dbraw/zinc/94/86/79/1097948679.db2.gz COGRBNPPVHUSCI-OAHLLOKOSA-N 0 1 335.306 2.521 20 10 EFCDMN O=C([O-])[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1cccc(O)c1 ZINC001608547985 1097949510 /nfs/dbraw/zinc/94/95/10/1097949510.db2.gz FUPNEXKZFHMKPD-AWEZNQCLSA-N 0 1 325.723 2.806 20 10 EFCDMN O=C([O-])CC[N@H+](Cc1cc2c(cc1O)CCCC2)C1CCOCC1 ZINC001608721600 1098001833 /nfs/dbraw/zinc/00/18/33/1098001833.db2.gz HJWDDYWFOJUMRJ-UHFFFAOYSA-N 0 1 333.428 2.727 20 10 EFCDMN Oc1c(Cl)cc(Cl)cc1CNc1cccnc1-c1nn[nH]n1 ZINC001609611268 1098399672 /nfs/dbraw/zinc/39/96/72/1098399672.db2.gz UEVNIDMQXPFNRB-UHFFFAOYSA-N 0 1 337.170 2.886 20 10 EFCDMN CCOc1ccc(O)c(C[N@@H+](C)Cc2ccc(OCC(=O)[O-])cc2)c1 ZINC001610042426 1098528470 /nfs/dbraw/zinc/52/84/70/1098528470.db2.gz DAHXKXZAWSQDRN-UHFFFAOYSA-N 0 1 345.395 2.886 20 10 EFCDMN CCc1cc(C[N@H+]2CCOC[C@H]2CC(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC001610059177 1098533564 /nfs/dbraw/zinc/53/35/64/1098533564.db2.gz UNKMVLLHNNAWNX-OAHLLOKOSA-N 0 1 335.444 2.928 20 10 EFCDMN C[N@@H+](Cc1csc(C(=O)[O-])c1)Cc1ccc(N2CCOCC2)cc1 ZINC001610122518 1098553635 /nfs/dbraw/zinc/55/36/35/1098553635.db2.gz ZETKEMWSUXGLEQ-UHFFFAOYSA-N 0 1 346.452 2.915 20 10 EFCDMN COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H]2C)c1O ZINC001610207600 1098572140 /nfs/dbraw/zinc/57/21/40/1098572140.db2.gz IWCWOHHNLSSHOE-WCQYABFASA-N 0 1 343.379 2.627 20 10 EFCDMN Cc1cc(C[N@@H+]2C[C@H](C)O[C@H](C(=O)[O-])C2)ccc1N1CCCCC1 ZINC001610459993 1098691077 /nfs/dbraw/zinc/69/10/77/1098691077.db2.gz QKJOQFZVTISBKL-YJBOKZPZSA-N 0 1 332.444 2.659 20 10 EFCDMN Oc1cc(O)c(CCNc2cc(OCC(F)(F)F)ccn2)cc1O ZINC001168018217 1100592688 /nfs/dbraw/zinc/59/26/88/1100592688.db2.gz YFNVKKZIQMHULD-UHFFFAOYSA-N 0 1 344.289 2.794 20 10 EFCDMN CN(C)C(=O)N[C@H]1CCCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000840145756 1100848038 /nfs/dbraw/zinc/84/80/38/1100848038.db2.gz FXPZWRZWGVLWMM-HNNXBMFYSA-N 0 1 349.475 2.631 20 10 EFCDMN CCCc1cnc(NCc2ccc(N3CCN(C)CC3)cc2)nc1 ZINC001167423343 1101574418 /nfs/dbraw/zinc/57/44/18/1101574418.db2.gz WCYRIVLIHRUYOK-UHFFFAOYSA-N 0 1 325.460 2.793 20 10 EFCDMN CN1CCN(c2ccc(CNc3nccc4ccncc43)cc2)CC1 ZINC001167423410 1101575312 /nfs/dbraw/zinc/57/53/12/1101575312.db2.gz YNLYJQXZWJAHSK-UHFFFAOYSA-N 0 1 333.439 2.994 20 10 EFCDMN CCCOc1nccnc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167431187 1101613788 /nfs/dbraw/zinc/61/37/88/1101613788.db2.gz LETUYWIFZCVYPB-UHFFFAOYSA-N 0 1 341.459 2.629 20 10 EFCDMN Cc1nc2nc(NCc3ccc(N4CCN(C)CC4)cc3)ccc2[nH]1 ZINC001167434683 1101663781 /nfs/dbraw/zinc/66/37/81/1101663781.db2.gz RVNFWFDXHKTARE-UHFFFAOYSA-N 0 1 336.443 2.630 20 10 EFCDMN Cc1cnc(NCc2ccc(N3CCN(C)CC3)cc2)cc1[N+](=O)[O-] ZINC001167434931 1101667035 /nfs/dbraw/zinc/66/70/35/1101667035.db2.gz ZVQXPUSMGBFVBO-UHFFFAOYSA-N 0 1 341.415 2.662 20 10 EFCDMN CN1CCN(c2ccc(CNc3ccc4c(N)noc4c3)cc2)CC1 ZINC001167436881 1101709192 /nfs/dbraw/zinc/70/91/92/1101709192.db2.gz DUJUQRVTAVGSPC-UHFFFAOYSA-N 0 1 337.427 2.774 20 10 EFCDMN CCN(CC)[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccco1 ZINC000588404620 1101907249 /nfs/dbraw/zinc/90/72/49/1101907249.db2.gz FVMPKXWFPBBXKU-WWRUEGTHSA-N 0 1 344.411 2.903 20 10 EFCDMN COc1ccc(O)c([C@@H](C)NCc2ccccc2S(C)(=O)=O)c1 ZINC000840867120 1101943584 /nfs/dbraw/zinc/94/35/84/1101943584.db2.gz NXNWBCBFLHEUNK-GFCCVEGCSA-N 0 1 335.425 2.655 20 10 EFCDMN [O-]c1cccc(Br)c1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000707166035 1102232388 /nfs/dbraw/zinc/23/23/88/1102232388.db2.gz NLHKRSDWARTBIV-GFCCVEGCSA-N 0 1 325.250 2.825 20 10 EFCDMN [O-]c1cccc(Br)c1CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000707166035 1102232402 /nfs/dbraw/zinc/23/24/02/1102232402.db2.gz NLHKRSDWARTBIV-GFCCVEGCSA-N 0 1 325.250 2.825 20 10 EFCDMN CCc1ncc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000840907066 1102412784 /nfs/dbraw/zinc/41/27/84/1102412784.db2.gz AAVQBHXZVWLHPN-KRWDZBQOSA-N 0 1 327.428 2.926 20 10 EFCDMN CC[C@H]([NH2+][C@H](C)CC(=O)NC)c1cc(Br)ccc1[O-] ZINC000323066210 1106808822 /nfs/dbraw/zinc/80/88/22/1106808822.db2.gz VFQJAGGLJGXLBT-SKDRFNHKSA-N 0 1 329.238 2.720 20 10 EFCDMN C[C@@](O)(C[NH2+]Cc1ccc(Br)cc1[O-])C(F)(F)F ZINC000698616764 1106946830 /nfs/dbraw/zinc/94/68/30/1106946830.db2.gz PRXOLGXHHGBMJJ-SNVBAGLBSA-N 0 1 328.128 2.558 20 10 EFCDMN C[C@@H]1C[N@@H+](Cc2c([O-])cc(Br)cc2F)CC[C@]1(C)O ZINC001233027508 1107544403 /nfs/dbraw/zinc/54/44/03/1107544403.db2.gz AOMBPOOPSSPMCQ-OTYXRUKQSA-N 0 1 332.213 2.887 20 10 EFCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])cc(Br)cc2F)CC[C@@H]1O ZINC001233027401 1107544077 /nfs/dbraw/zinc/54/40/77/1107544077.db2.gz RELWULNISQTHFQ-RNCFNFMXSA-N 0 1 332.213 2.887 20 10 EFCDMN C[C@@H]1C[N@@H+](Cc2c([O-])cc(Br)cc2F)CC[C@@]1(C)O ZINC001233027511 1107545386 /nfs/dbraw/zinc/54/53/86/1107545386.db2.gz AOMBPOOPSSPMCQ-YMTOWFKASA-N 0 1 332.213 2.887 20 10 EFCDMN CC[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(O)ccc1O ZINC001272387314 1108152929 /nfs/dbraw/zinc/15/29/29/1108152929.db2.gz WNKPBBVJPGHUQQ-AUUYWEPGSA-N 0 1 332.444 2.853 20 10 EFCDMN C[C@@H]([NH2+]CC1CC2(C1)OCCO2)c1cc(Br)ccc1[O-] ZINC000927002929 1108553033 /nfs/dbraw/zinc/55/30/33/1108553033.db2.gz HNEKLCSAZFJFOX-SNVBAGLBSA-N 0 1 342.233 2.958 20 10 EFCDMN O=C1N(CC(F)(F)F)CC[C@]12CCCN2Cc1ccccc1O ZINC001272618707 1111754216 /nfs/dbraw/zinc/75/42/16/1111754216.db2.gz NNCBRTHFJISIFK-OAHLLOKOSA-N 0 1 328.334 2.521 20 10 EFCDMN CC1(C)CC(CN2CC(NC(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC001031464722 1112107823 /nfs/dbraw/zinc/10/78/23/1112107823.db2.gz YUORELVVXOIEOZ-UHFFFAOYSA-N 0 1 343.431 2.699 20 10 EFCDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(O)cc2)c2ncccc12 ZINC000184766529 1119454472 /nfs/dbraw/zinc/45/44/72/1119454472.db2.gz BSCXULMWFQPBGA-UHFFFAOYSA-N 0 1 345.336 2.649 20 10 EFCDMN CN1CCCc2cc(CNC(=O)c3ccc(-c4nnc[nH]4)cc3)ccc21 ZINC000185092641 1119724781 /nfs/dbraw/zinc/72/47/81/1119724781.db2.gz POTBFLZKOWKMDZ-UHFFFAOYSA-N 0 1 347.422 2.784 20 10 EFCDMN CNC(=O)[C@@H]1CC12CCN(Cc1ccc(N(C)C)cc1Cl)CC2 ZINC001272741635 1120189192 /nfs/dbraw/zinc/18/91/92/1120189192.db2.gz FCZRHJPOMXVKLK-HNNXBMFYSA-N 0 1 335.879 2.754 20 10 EFCDMN O=C(NCCCSc1nccs1)c1ccc(-c2nnc[nH]2)cc1 ZINC000185643623 1120397181 /nfs/dbraw/zinc/39/71/81/1120397181.db2.gz XMKBZDZKQRCTEI-UHFFFAOYSA-N 0 1 345.453 2.840 20 10 EFCDMN CC[C@H]([NH2+]CC(=O)NCC1CC1)c1cc(Br)ccc1[O-] ZINC000157896105 529587864 /nfs/dbraw/zinc/58/78/64/529587864.db2.gz ZEBMJQQFHREXEU-ZDUSSCGKSA-N 0 1 341.249 2.722 20 10 EFCDMN C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])N1CCN(C)CC1 ZINC000185365922 295972010 /nfs/dbraw/zinc/97/20/10/295972010.db2.gz GTWDTKVGDYTZFI-RYUDHWBXSA-N 0 1 346.302 2.986 20 10 EFCDMN CC[C@@H]([NH2+]CC(=O)NC(C)C)c1cc(Br)ccc1[O-] ZINC000036781613 213119283 /nfs/dbraw/zinc/11/92/83/213119283.db2.gz DRYPJBMWDWSVQL-GFCCVEGCSA-N 0 1 329.238 2.720 20 10 EFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc[nH]1 ZINC000158069007 239004142 /nfs/dbraw/zinc/00/41/42/239004142.db2.gz MWJWUUSLUWIFLA-AWEZNQCLSA-N 0 1 333.819 2.768 20 10 EFCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc[nH]1 ZINC000158068874 239004285 /nfs/dbraw/zinc/00/42/85/239004285.db2.gz MWJWUUSLUWIFLA-CQSZACIVSA-N 0 1 333.819 2.768 20 10 EFCDMN COc1ccc2ccc(O)c(CN3CCN(C(=O)C4CC4)CC3)c2c1 ZINC000023717516 212392222 /nfs/dbraw/zinc/39/22/22/212392222.db2.gz DJXQMVAKRZSPNE-UHFFFAOYSA-N 0 1 340.423 2.608 20 10 EFCDMN C=Cn1cc(C[NH2+]Cc2ccc(N3CCN(CC)CC3)c(F)c2)cn1 ZINC000194301371 240149127 /nfs/dbraw/zinc/14/91/27/240149127.db2.gz NAVRWOBSVJBIRA-UHFFFAOYSA-N 0 1 343.450 2.554 20 10 EFCDMN CCCN(CC)C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000290893005 241022114 /nfs/dbraw/zinc/02/21/14/241022114.db2.gz LNJFDHAVWUNEPQ-GFCCVEGCSA-N 0 1 325.409 2.519 20 10 EFCDMN C[C@@H](c1cc([N+](=O)[O-])ccc1[O-])[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000296308942 241081328 /nfs/dbraw/zinc/08/13/28/241081328.db2.gz GFTCKYRJMSZUMG-STQMWFEESA-N 0 1 349.431 2.975 20 10 EFCDMN C[C@@H](CNC(=O)NCc1ccccc1O)N1CCc2ccccc2C1 ZINC000299528601 241178317 /nfs/dbraw/zinc/17/83/17/241178317.db2.gz RWNOZXINWIYDTL-HNNXBMFYSA-N 0 1 339.439 2.638 20 10 EFCDMN Oc1cc2c(cc1CN1CCO[C@]3(CCc4ccccc43)C1)OCO2 ZINC000157202351 285382107 /nfs/dbraw/zinc/38/21/07/285382107.db2.gz ZLQYAMCIJSPSFH-HXUWFJFHSA-N 0 1 339.391 2.795 20 10 EFCDMN COC(=O)[C@]1(C)CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177427669 533617939 /nfs/dbraw/zinc/61/79/39/533617939.db2.gz QGYMOKIUJIVOCW-MRXNPFEDSA-N 0 1 325.792 2.633 20 10 EFCDMN COC(=O)[C@]1(C)CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177427669 533617946 /nfs/dbraw/zinc/61/79/46/533617946.db2.gz QGYMOKIUJIVOCW-MRXNPFEDSA-N 0 1 325.792 2.633 20 10 EFCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1cccnc1N1CCOCC1 ZINC000113320365 544569175 /nfs/dbraw/zinc/56/91/75/544569175.db2.gz HFSBGOQIGPOXHU-UHFFFAOYSA-N 0 1 333.819 2.567 20 10 EFCDMN COC(=O)c1coc(CN(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000171108923 277170955 /nfs/dbraw/zinc/17/09/55/277170955.db2.gz DNEAHRVFYLPJAR-UHFFFAOYSA-N 0 1 344.411 2.535 20 10 EFCDMN COc1cccc(CNC(=O)NC[C@@H](c2cccs2)N(C)C)c1O ZINC000072293210 278012017 /nfs/dbraw/zinc/01/20/17/278012017.db2.gz OYTBTCWPDKCBSD-ZDUSSCGKSA-N 0 1 349.456 2.564 20 10 EFCDMN Cn1ccnc1C(NCc1cc(Cl)cc(F)c1O)c1nccn1C ZINC000529645178 316937520 /nfs/dbraw/zinc/93/75/20/316937520.db2.gz RFPFVICWLRZZOQ-UHFFFAOYSA-N 0 1 349.797 2.531 20 10 EFCDMN CC(C)NC(=O)CC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000184981549 473289772 /nfs/dbraw/zinc/28/97/72/473289772.db2.gz CUFDNUWLNZMZIR-JTQLQIEISA-N 0 1 329.238 2.720 20 10 EFCDMN CC[C@H]([NH2+]CC(C)(C)C(=O)NC)c1cc(Br)ccc1[O-] ZINC000185214193 473364197 /nfs/dbraw/zinc/36/41/97/473364197.db2.gz MWMBZZKCTGFFTL-LBPRGKRZSA-N 0 1 343.265 2.968 20 10 EFCDMN COc1ccc(N2CCCN(Cc3ccc(OC)nc3)CC2)cc1 ZINC000085787558 472266290 /nfs/dbraw/zinc/26/62/90/472266290.db2.gz ARLQRKPHIWIANK-UHFFFAOYSA-N 0 1 327.428 2.811 20 10 EFCDMN CN(C)c1ccc(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)cc1 ZINC000128134024 472406917 /nfs/dbraw/zinc/40/69/17/472406917.db2.gz YCRLDAWYNKXRSR-SFHVURJKSA-N 0 1 327.428 2.626 20 10 EFCDMN CN(C)c1ccc(CN2CCC[C@H]2C(=O)NCc2ccco2)cc1 ZINC000128134024 472406921 /nfs/dbraw/zinc/40/69/21/472406921.db2.gz YCRLDAWYNKXRSR-SFHVURJKSA-N 0 1 327.428 2.626 20 10 EFCDMN COC(=O)c1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000070976717 472530815 /nfs/dbraw/zinc/53/08/15/472530815.db2.gz QDQLXPIXWNROFW-OAHLLOKOSA-N 0 1 345.395 2.953 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1[O-] ZINC000119294642 472543966 /nfs/dbraw/zinc/54/39/66/472543966.db2.gz MKLDVSRRBGKIQM-ZDUSSCGKSA-N 0 1 348.834 2.752 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c1[O-] ZINC000119294642 472543971 /nfs/dbraw/zinc/54/39/71/472543971.db2.gz MKLDVSRRBGKIQM-ZDUSSCGKSA-N 0 1 348.834 2.752 20 10 EFCDMN CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1c([O-])cccc1Cl)CC2 ZINC000130247654 472591953 /nfs/dbraw/zinc/59/19/53/472591953.db2.gz SMNYQLQICGFVFX-HOTGVXAUSA-N 0 1 325.836 2.798 20 10 EFCDMN Cc1ccc(S(=O)(=O)C[C@H](C)NCc2ccc3c(c2)CCO3)cc1 ZINC000120055854 472623057 /nfs/dbraw/zinc/62/30/57/472623057.db2.gz HDHOBVLPYNIBHU-HNNXBMFYSA-N 0 1 345.464 2.882 20 10 EFCDMN C[C@@]1(c2ccccc2)CN(Cc2cc3c(cc2O)OCO3)CCO1 ZINC000120159535 472640557 /nfs/dbraw/zinc/64/05/57/472640557.db2.gz QZCYEIIBCLWJMX-IBGZPJMESA-N 0 1 327.380 2.869 20 10 EFCDMN C[C@H](N[C@H](CO)c1cnn(C)c1)c1ccc(N2CCCCC2)cc1 ZINC000090884919 472662988 /nfs/dbraw/zinc/66/29/88/472662988.db2.gz VWEWWYRHTXWHOX-HNAYVOBHSA-N 0 1 328.460 2.795 20 10 EFCDMN C[C@H](N[C@@H](CO)c1cnn(C)c1)c1ccc(N2CCCCC2)cc1 ZINC000090884917 472663133 /nfs/dbraw/zinc/66/31/33/472663133.db2.gz VWEWWYRHTXWHOX-KXBFYZLASA-N 0 1 328.460 2.795 20 10 EFCDMN COc1cc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)ccn1 ZINC000131694378 472686980 /nfs/dbraw/zinc/68/69/80/472686980.db2.gz MUIQMRSNLMFMPF-CQSZACIVSA-N 0 1 345.418 2.917 20 10 EFCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000105493125 472754020 /nfs/dbraw/zinc/75/40/20/472754020.db2.gz PIOXLYFWPNFBLA-OAHLLOKOSA-N 0 1 336.229 2.848 20 10 EFCDMN COc1cccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c1O ZINC000105650240 472765755 /nfs/dbraw/zinc/76/57/55/472765755.db2.gz DXMLROWOZJLAHI-QGZVFWFLSA-N 0 1 340.423 2.682 20 10 EFCDMN COc1cccc(CNC(=O)[C@H]2CCCN2Cc2ccccc2)c1O ZINC000105650240 472765762 /nfs/dbraw/zinc/76/57/62/472765762.db2.gz DXMLROWOZJLAHI-QGZVFWFLSA-N 0 1 340.423 2.682 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)C[C@@H]3C=CCC3)cc2F)CC1 ZINC000106702651 472883307 /nfs/dbraw/zinc/88/33/07/472883307.db2.gz IHWRPFQWFTVOKS-MRXNPFEDSA-N 0 1 345.462 2.940 20 10 EFCDMN CCO[C@@H](C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000158039000 472885985 /nfs/dbraw/zinc/88/59/85/472885985.db2.gz JLLISBMWBXKGOZ-WFASDCNBSA-N 0 1 340.851 2.551 20 10 EFCDMN CO[C@H](C)CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134261169 472889997 /nfs/dbraw/zinc/88/99/97/472889997.db2.gz YTJBWMMSKIOZRN-DOMZBBRYSA-N 0 1 340.851 2.551 20 10 EFCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccncc1 ZINC000158078706 472891036 /nfs/dbraw/zinc/89/10/36/472891036.db2.gz AQUYJPDGNFRTOP-MRXNPFEDSA-N 0 1 345.830 2.835 20 10 EFCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccccn1 ZINC000158110785 472893414 /nfs/dbraw/zinc/89/34/14/472893414.db2.gz WXHGGRVWTRFXFR-OAHLLOKOSA-N 0 1 345.830 2.835 20 10 EFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1[O-] ZINC000093505787 473115189 /nfs/dbraw/zinc/11/51/89/473115189.db2.gz HOJBIRAAGCJUIJ-YGRLFVJLSA-N 0 1 326.780 2.955 20 10 EFCDMN C[C@H](C(=O)N1CCc2sccc2C1)N(C)Cc1ccccc1O ZINC000109770659 473119612 /nfs/dbraw/zinc/11/96/12/473119612.db2.gz CREYFBDDTAIVNZ-CYBMUJFWSA-N 0 1 330.453 2.859 20 10 EFCDMN Cc1ccccc1CCNC(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000111236241 473198458 /nfs/dbraw/zinc/19/84/58/473198458.db2.gz BGADNVGAEDBNML-INIZCTEOSA-N 0 1 326.440 2.880 20 10 EFCDMN C[C@@H]([NH2+]CCSCCCO)c1cc(Br)ccc1[O-] ZINC000185378384 473409368 /nfs/dbraw/zinc/40/93/68/473409368.db2.gz NKFIZLHPMNVTCY-SNVBAGLBSA-N 0 1 334.279 2.921 20 10 EFCDMN COc1cccc(CNCc2ccc(N3CCC(CO)CC3)cc2)n1 ZINC000190857649 473411055 /nfs/dbraw/zinc/41/10/55/473411055.db2.gz RBSUTYZCGZVKLX-UHFFFAOYSA-N 0 1 341.455 2.589 20 10 EFCDMN COc1ncccc1CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000151134918 473413373 /nfs/dbraw/zinc/41/33/73/473413373.db2.gz HLDYWWCHCNCQJY-OAHLLOKOSA-N 0 1 327.428 2.778 20 10 EFCDMN COCC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000185466771 473434708 /nfs/dbraw/zinc/43/47/08/473434708.db2.gz CVBHJNCHHLBTIY-QMTHXVAHSA-N 0 1 332.238 2.593 20 10 EFCDMN CCN(CC)c1ccc(CN2CCN(c3cnn(C)c3)CC2)cc1 ZINC000126128458 473491385 /nfs/dbraw/zinc/49/13/85/473491385.db2.gz MJYBKSLEHMBCKB-UHFFFAOYSA-N 0 1 327.476 2.589 20 10 EFCDMN O=C(C1CC1)N1CCCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000191538039 473552177 /nfs/dbraw/zinc/55/21/77/473552177.db2.gz IXDYHLSDENBJHH-UHFFFAOYSA-N 0 1 326.799 2.629 20 10 EFCDMN CN(C)c1ccc(CN2CCC([C@H](O)c3nccn3C)CC2)cc1F ZINC000127110901 473577228 /nfs/dbraw/zinc/57/72/28/473577228.db2.gz XLVUMZPHSJTETB-SFHVURJKSA-N 0 1 346.450 2.571 20 10 EFCDMN C[C@H](c1ccccc1)N(CCNS(C)(=O)=O)Cc1ccccc1O ZINC000179645338 473701737 /nfs/dbraw/zinc/70/17/37/473701737.db2.gz WCTUQFRNGRUDGW-OAHLLOKOSA-N 0 1 348.468 2.505 20 10 EFCDMN CC(C)n1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000179764214 473722475 /nfs/dbraw/zinc/72/24/75/473722475.db2.gz MSJWYNIYQUVVMA-UHFFFAOYSA-N 0 1 328.460 2.933 20 10 EFCDMN C[C@H]([NH2+]CCC1(O)CCOCC1)c1cc(Br)ccc1[O-] ZINC000287668442 473728507 /nfs/dbraw/zinc/72/85/07/473728507.db2.gz VRWMFDVGIHLRNX-NSHDSACASA-N 0 1 344.249 2.737 20 10 EFCDMN Oc1ccc(F)cc1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000179892369 473750347 /nfs/dbraw/zinc/75/03/47/473750347.db2.gz YENBGZQVEOFMMI-CYBMUJFWSA-N 0 1 326.375 2.954 20 10 EFCDMN Cc1nc(CN2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)oc1C ZINC000180043762 473784919 /nfs/dbraw/zinc/78/49/19/473784919.db2.gz BNZXBAXSHNRANH-UHFFFAOYSA-N 0 1 335.835 2.968 20 10 EFCDMN Cc1nc(CN2CCN(Cc3cccc(Cl)c3O)CC2)oc1C ZINC000180043762 473784930 /nfs/dbraw/zinc/78/49/30/473784930.db2.gz BNZXBAXSHNRANH-UHFFFAOYSA-N 0 1 335.835 2.968 20 10 EFCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000180433905 473876860 /nfs/dbraw/zinc/87/68/60/473876860.db2.gz BROVDDAWXKFTIF-KGLIPLIRSA-N 0 1 331.865 2.833 20 10 EFCDMN C[C@@H](N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1)C(=O)NCCF ZINC000281931012 473888183 /nfs/dbraw/zinc/88/81/83/473888183.db2.gz AYUDJANIMLMZIO-UONOGXRCSA-N 0 1 339.430 2.941 20 10 EFCDMN C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(F)c(F)c1[O-] ZINC000187726554 473909442 /nfs/dbraw/zinc/90/94/42/473909442.db2.gz JFCASLRJTNCXJC-STQMWFEESA-N 0 1 340.414 2.822 20 10 EFCDMN COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C ZINC000188105775 473984795 /nfs/dbraw/zinc/98/47/95/473984795.db2.gz DLXSMSSUTFIGFO-CABZTGNLSA-N 0 1 342.779 2.585 20 10 EFCDMN C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1cc(Br)ccc1[O-] ZINC000282302183 474014720 /nfs/dbraw/zinc/01/47/20/474014720.db2.gz MLRPKDBNFKTPIO-YYSFKGJASA-N 0 1 332.263 2.716 20 10 EFCDMN COc1c([O-])c(C[NH2+]Cc2cc(C)cc(Cl)n2)ccc1[N+](=O)[O-] ZINC000282643031 474140271 /nfs/dbraw/zinc/14/02/71/474140271.db2.gz ZNMPHTPGNSAPAG-UHFFFAOYSA-N 0 1 337.763 2.956 20 10 EFCDMN CN(C)c1ccc(CN[C@H]2CCN(Cc3ccccc3)C2=O)cc1F ZINC000265001161 474164458 /nfs/dbraw/zinc/16/44/58/474164458.db2.gz ZSRAOTXMQZRYQG-SFHVURJKSA-N 0 1 341.430 2.782 20 10 EFCDMN O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCCN1Cc1ccccc1 ZINC000182536133 474201131 /nfs/dbraw/zinc/20/11/31/474201131.db2.gz PWUGMIRZMNSKRI-QGZVFWFLSA-N 0 1 340.423 2.769 20 10 EFCDMN CCc1nc([C@H](C)NC(=O)c2cc(C)n(-c3ccccn3)c2C)n[nH]1 ZINC000270763605 474254625 /nfs/dbraw/zinc/25/46/25/474254625.db2.gz PKTHVZPIIABGTF-LBPRGKRZSA-N 0 1 338.415 2.661 20 10 EFCDMN OCC[C@@H](NCc1cc(Br)ccc1O)c1ccco1 ZINC000184520191 474536318 /nfs/dbraw/zinc/53/63/18/474536318.db2.gz YDRGDTHKPBZAQB-GFCCVEGCSA-N 0 1 326.190 2.961 20 10 EFCDMN CNC(=O)OC[C@@H]1CCCCN1Cc1cc(Cl)cc(OC)c1O ZINC000290167629 474560693 /nfs/dbraw/zinc/56/06/93/474560693.db2.gz MNVYPKKFTJYUIZ-ZDUSSCGKSA-N 0 1 342.823 2.765 20 10 EFCDMN COc1ccc([C@@H](C)NCC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000271689720 474585829 /nfs/dbraw/zinc/58/58/29/474585829.db2.gz QNDPZIZUCXVRFB-OAHLLOKOSA-N 0 1 341.455 2.728 20 10 EFCDMN CC[C@H](C(=O)NCc1cccc(Br)c1[O-])[NH+](CC)CC ZINC000277459531 474586727 /nfs/dbraw/zinc/58/67/27/474586727.db2.gz GURBEEWRPZXVQY-CYBMUJFWSA-N 0 1 343.265 2.891 20 10 EFCDMN CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277560011 474590373 /nfs/dbraw/zinc/59/03/73/474590373.db2.gz PFQLQFDVHDTPGT-SNVBAGLBSA-N 0 1 343.265 2.938 20 10 EFCDMN C[N@@H+](Cc1ccc(CO)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000272385472 474609583 /nfs/dbraw/zinc/60/95/83/474609583.db2.gz WURRXRJDEZUZMP-UHFFFAOYSA-N 0 1 326.440 2.648 20 10 EFCDMN COC(=O)c1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)[nH]1 ZINC000272713901 474622910 /nfs/dbraw/zinc/62/29/10/474622910.db2.gz CFEJBFWXIHDLFO-INIZCTEOSA-N 0 1 344.411 2.688 20 10 EFCDMN COC(=O)c1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)[nH]1 ZINC000272713903 474623382 /nfs/dbraw/zinc/62/33/82/474623382.db2.gz CFEJBFWXIHDLFO-MRXNPFEDSA-N 0 1 344.411 2.688 20 10 EFCDMN CCOC1CC(O)(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])C1 ZINC000278595215 474727415 /nfs/dbraw/zinc/72/74/15/474727415.db2.gz ZFUPTJPZJQNZAK-CKQAKLJMSA-N 0 1 344.249 2.735 20 10 EFCDMN CN(C)Cc1ccsc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000268057549 474772743 /nfs/dbraw/zinc/77/27/43/474772743.db2.gz YYMFHCIKAUNVPN-UHFFFAOYSA-N 0 1 335.448 2.945 20 10 EFCDMN CC(C)c1nc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)n[nH]1 ZINC000293144118 474837218 /nfs/dbraw/zinc/83/72/18/474837218.db2.gz MADZCKMNRNBIBK-HNNXBMFYSA-N 0 1 330.432 2.815 20 10 EFCDMN COc1cccc(CN[C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c1O ZINC000278825942 474856765 /nfs/dbraw/zinc/85/67/65/474856765.db2.gz UKSPLLIHOCVKMH-LBPRGKRZSA-N 0 1 339.399 2.740 20 10 EFCDMN C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(Br)cc1[O-] ZINC000273382767 474872053 /nfs/dbraw/zinc/87/20/53/474872053.db2.gz IPUVJEOQPZYHBY-QUBYGPBYSA-N 0 1 328.128 2.729 20 10 EFCDMN COCCOCCC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000273388067 474874424 /nfs/dbraw/zinc/87/44/24/474874424.db2.gz KCNPSAVKRWOZIW-LLVKDONJSA-N 0 1 332.238 2.858 20 10 EFCDMN C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc(Br)ccc1[O-] ZINC000273409063 474883048 /nfs/dbraw/zinc/88/30/48/474883048.db2.gz PFHNYGHLQRWWDM-LHLIQPBNSA-N 0 1 328.128 2.729 20 10 EFCDMN C[C@H](CC[S@@](C)=O)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000273473472 474917545 /nfs/dbraw/zinc/91/75/45/474917545.db2.gz KDTHKOJJMCVSSB-AUSHCKSDSA-N 0 1 334.279 2.962 20 10 EFCDMN COC[C@@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@@H]1CCCO1 ZINC000279122477 474960670 /nfs/dbraw/zinc/96/06/70/474960670.db2.gz UYEHLDMXSGULNY-CABCVRRESA-N 0 1 327.808 2.532 20 10 EFCDMN C[C@H]([NH2+]CCN1CCSCC1)c1cc(Br)ccc1[O-] ZINC000273559371 474962978 /nfs/dbraw/zinc/96/29/78/474962978.db2.gz HQNDERJOPXQLNT-NSHDSACASA-N 0 1 345.306 2.854 20 10 EFCDMN CNC(=O)C1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000279623118 474983311 /nfs/dbraw/zinc/98/33/11/474983311.db2.gz KFTWHOBOSQDFIM-UHFFFAOYSA-N 0 1 343.393 2.729 20 10 EFCDMN C[C@H](N[C@@H](C)c1cc(Br)ccc1O)c1nncn1C ZINC000273614683 474991676 /nfs/dbraw/zinc/99/16/76/474991676.db2.gz WZWRDVAEBKIUOB-IUCAKERBSA-N 0 1 325.210 2.695 20 10 EFCDMN COc1cccc(OC)c1CNCc1ccc(N2CCOCC2)cc1 ZINC000285387002 474998986 /nfs/dbraw/zinc/99/89/86/474998986.db2.gz HCLHGCRNIZGIIW-UHFFFAOYSA-N 0 1 342.439 2.830 20 10 EFCDMN COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000293555023 475036488 /nfs/dbraw/zinc/03/64/88/475036488.db2.gz LNPBRYMDDYWVQG-MRXNPFEDSA-N 0 1 344.377 2.988 20 10 EFCDMN CCS(=O)(=O)c1ccc(CNCc2ccc(N(C)C)cc2)s1 ZINC000280603090 475037222 /nfs/dbraw/zinc/03/72/22/475037222.db2.gz OEPDSGLCOHYAGK-UHFFFAOYSA-N 0 1 338.498 2.898 20 10 EFCDMN CC1CCN(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000268652011 475038545 /nfs/dbraw/zinc/03/85/45/475038545.db2.gz RQUYWULMUOAKEJ-GOSISDBHSA-N 0 1 346.471 2.632 20 10 EFCDMN CC[C@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1cc(Br)ccc1[O-] ZINC000293789964 475052791 /nfs/dbraw/zinc/05/27/91/475052791.db2.gz UGGPDKCKPSCDIR-DYEKYZERSA-N 0 1 344.249 2.735 20 10 EFCDMN COC1CCN(c2ccc(CN(C)[C@H](C)C[S@@](C)=O)cc2)CC1 ZINC000294868164 475089196 /nfs/dbraw/zinc/08/91/96/475089196.db2.gz AUXRXOFPKSAODY-IQMFZBJNSA-N 0 1 338.517 2.501 20 10 EFCDMN CC[C@@H]([NH2+]Cc1cnnn1C)c1cc(Br)ccc1[O-] ZINC000287223946 475098085 /nfs/dbraw/zinc/09/80/85/475098085.db2.gz GEOAWPODYDDCTN-GFCCVEGCSA-N 0 1 325.210 2.524 20 10 EFCDMN CCCOc1ccc(CN[C@H](c2nccn2C)C(C)(C)CO)c(O)c1 ZINC000295078562 475101550 /nfs/dbraw/zinc/10/15/50/475101550.db2.gz QBWIPDKDGDRXPK-QGZVFWFLSA-N 0 1 347.459 2.764 20 10 EFCDMN CS(=O)(=O)CC1CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000295163745 475109027 /nfs/dbraw/zinc/10/90/27/475109027.db2.gz SNINXOGWZSGWMV-UHFFFAOYSA-N 0 1 331.865 2.739 20 10 EFCDMN CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000292781885 475194331 /nfs/dbraw/zinc/19/43/31/475194331.db2.gz UDUUECDKZNRASS-LLVKDONJSA-N 0 1 343.265 2.797 20 10 EFCDMN C[C@H]1OCC[C@]12CN(Cc1c(O)ccc(Cl)c1F)C[C@@H](C)O2 ZINC000369290294 476404469 /nfs/dbraw/zinc/40/44/69/476404469.db2.gz KXKYFQKCLJPRSE-UVWXRNBGSA-N 0 1 329.799 2.953 20 10 EFCDMN COc1ccc(N2CCCN(Cc3cnc([C@@H](C)O)s3)CC2)cc1 ZINC000377619578 476477761 /nfs/dbraw/zinc/47/77/61/476477761.db2.gz VCUXWEZTPRXLAK-CQSZACIVSA-N 0 1 347.484 2.917 20 10 EFCDMN Cn1ccnc1[C@@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000377890352 476630893 /nfs/dbraw/zinc/63/08/93/476630893.db2.gz URBKXIXJTIKDRF-LLVKDONJSA-N 0 1 336.233 2.878 20 10 EFCDMN Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000377890352 476630901 /nfs/dbraw/zinc/63/09/01/476630901.db2.gz URBKXIXJTIKDRF-LLVKDONJSA-N 0 1 336.233 2.878 20 10 EFCDMN Cn1ccnc1[C@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000377890353 476631453 /nfs/dbraw/zinc/63/14/53/476631453.db2.gz URBKXIXJTIKDRF-NSHDSACASA-N 0 1 336.233 2.878 20 10 EFCDMN Cn1ccnc1[C@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000377890353 476631460 /nfs/dbraw/zinc/63/14/60/476631460.db2.gz URBKXIXJTIKDRF-NSHDSACASA-N 0 1 336.233 2.878 20 10 EFCDMN CN(C)c1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1F ZINC000376036304 477143246 /nfs/dbraw/zinc/14/32/46/477143246.db2.gz XPLRVNTXNYGODR-UHFFFAOYSA-N 0 1 347.394 2.834 20 10 EFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000371330125 477246431 /nfs/dbraw/zinc/24/64/31/477246431.db2.gz AQNAMZRWOGSQLG-GHMZBOCLSA-N 0 1 326.780 2.812 20 10 EFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCc2c[nH]nc2C1 ZINC000377088634 477637346 /nfs/dbraw/zinc/63/73/46/477637346.db2.gz KIJUDOKFXJVHAU-MRVPVSSYSA-N 0 1 340.210 2.843 20 10 EFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCn2ccnc2C1 ZINC000377105703 477647074 /nfs/dbraw/zinc/64/70/74/477647074.db2.gz PWIXXGRWZRZXIF-VIFPVBQESA-N 0 1 340.210 2.774 20 10 EFCDMN Cc1cc(Br)cc(CN2CC[C@]3(CC[N@H+](C)C3)C2)c1O ZINC000368319897 477798216 /nfs/dbraw/zinc/79/82/16/477798216.db2.gz ZGWVFGHUKIMZMH-INIZCTEOSA-N 0 1 339.277 2.991 20 10 EFCDMN Cc1c2ccccc2n(C)c1CNC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000472280755 478015251 /nfs/dbraw/zinc/01/52/51/478015251.db2.gz AZWIFSFZWBZPEH-IBGZPJMESA-N 0 1 342.487 2.968 20 10 EFCDMN CCOCc1cc(CN[C@H]2Cc3ccccc3NC2=O)ccc1OC ZINC000527797688 478524279 /nfs/dbraw/zinc/52/42/79/478524279.db2.gz DNMOWMBDRGPLSE-SFHVURJKSA-N 0 1 340.423 2.885 20 10 EFCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCSc1nnc(C)[nH]1 ZINC000174669126 528786823 /nfs/dbraw/zinc/78/68/23/528786823.db2.gz YGKNGJQBODRCIR-UHFFFAOYSA-N 0 1 347.488 2.710 20 10 EFCDMN COC[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])[C@@H]1CCCO1 ZINC000278806338 536877584 /nfs/dbraw/zinc/87/75/84/536877584.db2.gz NGFRDOVDHKKRJY-XEGUGMAKSA-N 0 1 344.249 2.999 20 10 EFCDMN C[C@@H]1COCC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000753987013 575371087 /nfs/dbraw/zinc/37/10/87/575371087.db2.gz QNUHENCCGHOBGE-AWEZNQCLSA-N 0 1 341.407 2.797 20 10 EFCDMN CC(=O)N1CCC([NH2+][C@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000756364017 575723768 /nfs/dbraw/zinc/72/37/68/575723768.db2.gz RQZJAIAZCCRDLN-SNVBAGLBSA-N 0 1 341.249 2.816 20 10 EFCDMN CCN(CC)C(=O)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000756457262 575742241 /nfs/dbraw/zinc/74/22/41/575742241.db2.gz PPMJEYMXKPQPPQ-JTQLQIEISA-N 0 1 329.238 2.674 20 10 EFCDMN C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756459913 575742690 /nfs/dbraw/zinc/74/26/90/575742690.db2.gz QECCXDGDHRYRHZ-MNOVXSKESA-N 0 1 333.259 2.806 20 10 EFCDMN C[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1cc(Br)ccc1[O-] ZINC000756510040 575751890 /nfs/dbraw/zinc/75/18/90/575751890.db2.gz GJOWEALOGYXWKA-GXFFZTMASA-N 0 1 344.249 2.593 20 10 EFCDMN C[C@@H]([NH2+]Cc1n[nH]cc1Br)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756585709 575765648 /nfs/dbraw/zinc/76/56/48/575765648.db2.gz LYXPVIJUSUBNNS-SSDOTTSWSA-N 0 1 341.165 2.637 20 10 EFCDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])[C@@H]1CN(C)CCO1 ZINC000756756974 575784434 /nfs/dbraw/zinc/78/44/34/575784434.db2.gz BDLQHRRAMSGUNN-RWSFTLGLSA-N 0 1 343.265 2.524 20 10 EFCDMN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000756774326 575785890 /nfs/dbraw/zinc/78/58/90/575785890.db2.gz IHQQNCWNGOSLFY-WQAKAFBOSA-N 0 1 341.249 2.720 20 10 EFCDMN C[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1ccc(Br)cc1[O-] ZINC000757659898 575848139 /nfs/dbraw/zinc/84/81/39/575848139.db2.gz UGOYKMPERUXWDP-QMTHXVAHSA-N 0 1 344.249 2.593 20 10 EFCDMN Oc1c(F)cc(Cl)cc1CN1CCN(Cc2cccnc2)CC1 ZINC000757876276 575854988 /nfs/dbraw/zinc/85/49/88/575854988.db2.gz PUQGONULIAHVCC-UHFFFAOYSA-N 0 1 335.810 2.898 20 10 EFCDMN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000758773935 575877347 /nfs/dbraw/zinc/87/73/47/575877347.db2.gz JZXADGUUJKMAQZ-UHFFFAOYSA-N 0 1 327.308 2.674 20 10 EFCDMN CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000760883193 576084575 /nfs/dbraw/zinc/08/45/75/576084575.db2.gz AQHVHHFGHBQUKD-PSOPSSQASA-N 0 1 344.249 2.999 20 10 EFCDMN CCC(CC)(CC(=O)OC)[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000760896399 576085804 /nfs/dbraw/zinc/08/58/04/576085804.db2.gz VWRLZZBPBGQLLP-UHFFFAOYSA-N 0 1 325.380 2.945 20 10 EFCDMN CCCNC(=O)CN(CCC)Cc1cc(Cl)cc(OC)c1O ZINC000761192598 576128010 /nfs/dbraw/zinc/12/80/10/576128010.db2.gz SWMTYKWEQSHMTE-UHFFFAOYSA-N 0 1 328.840 2.792 20 10 EFCDMN CO[C@@]1(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])CCOC1 ZINC000763572742 576381609 /nfs/dbraw/zinc/38/16/09/576381609.db2.gz OKTRXGRMQVOFCU-QMTHXVAHSA-N 0 1 330.222 2.611 20 10 EFCDMN Fc1cc(CN[C@H]2CCCc3c[nH]nc32)ccc1N1CCOCC1 ZINC000765278047 577026174 /nfs/dbraw/zinc/02/61/74/577026174.db2.gz AEDZNIIPISAQLV-INIZCTEOSA-N 0 1 330.407 2.553 20 10 EFCDMN CCN1C[C@@H](C)N(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H]1C ZINC000765717941 577070365 /nfs/dbraw/zinc/07/03/65/577070365.db2.gz MEXQDRPIGLSYKR-IAGOWNOFSA-N 0 1 342.487 2.687 20 10 EFCDMN CCN1C[C@H](C)N(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H]1C ZINC000765717943 577070383 /nfs/dbraw/zinc/07/03/83/577070383.db2.gz MEXQDRPIGLSYKR-SJORKVTESA-N 0 1 342.487 2.687 20 10 EFCDMN O=C(NCc1cccc(Br)c1O)c1n[nH]c2ccccc21 ZINC000765758378 577073411 /nfs/dbraw/zinc/07/34/11/577073411.db2.gz VUFFXSLEILZDDZ-UHFFFAOYSA-N 0 1 346.184 2.961 20 10 EFCDMN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000766048843 577101760 /nfs/dbraw/zinc/10/17/60/577101760.db2.gz WWDHKTVLIZXNOF-UHFFFAOYSA-N 0 1 345.298 2.813 20 10 EFCDMN CCN1C[C@H](C)N(C(=O)NCCCSc2nccs2)C[C@H]1C ZINC000766247983 577126385 /nfs/dbraw/zinc/12/63/85/577126385.db2.gz GDKDRSNQTBDAFW-OLZOCXBDSA-N 0 1 342.534 2.749 20 10 EFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](CO)[C@H](C)c2ccccc2)c1[O-] ZINC000766978044 577190587 /nfs/dbraw/zinc/19/05/87/577190587.db2.gz NJUCYTRBIUTYGJ-XIKOKIGWSA-N 0 1 331.387 2.988 20 10 EFCDMN CS(=O)(=O)CC1(C[N@H+](Cc2ccccc2[O-])C2CCCC2)CC1 ZINC000767397348 577207274 /nfs/dbraw/zinc/20/72/74/577207274.db2.gz FXWNLVYVZDQTCQ-UHFFFAOYSA-N 0 1 337.485 2.962 20 10 EFCDMN CS(=O)(=O)CC1(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CC1 ZINC000767397348 577207275 /nfs/dbraw/zinc/20/72/75/577207275.db2.gz FXWNLVYVZDQTCQ-UHFFFAOYSA-N 0 1 337.485 2.962 20 10 EFCDMN CS(=O)(=O)Nc1cccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000725845095 577246257 /nfs/dbraw/zinc/24/62/57/577246257.db2.gz KHHBNTQINLGFBT-UHFFFAOYSA-N 0 1 340.832 2.707 20 10 EFCDMN COc1ccccc1N1CCN(Cc2c(O)cccc2OC)CC1 ZINC000768139441 577257027 /nfs/dbraw/zinc/25/70/27/577257027.db2.gz PBNQURQQNCIMGI-UHFFFAOYSA-N 0 1 328.412 2.732 20 10 EFCDMN CCC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000768446399 577274413 /nfs/dbraw/zinc/27/44/13/577274413.db2.gz NQOYXRIESXKKMV-ZFKCKOODSA-N 0 1 347.455 2.844 20 10 EFCDMN CCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000768446399 577274417 /nfs/dbraw/zinc/27/44/17/577274417.db2.gz NQOYXRIESXKKMV-ZFKCKOODSA-N 0 1 347.455 2.844 20 10 EFCDMN C[C@@]1(c2ccccc2)CN(Cc2cc3c(cc2O)OC[C@H]3O)CCO1 ZINC000768462726 577275890 /nfs/dbraw/zinc/27/58/90/577275890.db2.gz CFSJHFKWWIYWHK-QUCCMNQESA-N 0 1 341.407 2.566 20 10 EFCDMN Cc1cc(C(=O)N2C[C@@H](C)N(C)C[C@H]2C)c(C)n1-c1ccccn1 ZINC000768845818 577309028 /nfs/dbraw/zinc/30/90/28/577309028.db2.gz OSUXNZKZRAFARC-HUUCEWRRSA-N 0 1 326.444 2.654 20 10 EFCDMN CCOc1cccc(N2CCN(Cc3c(O)cccc3OC)CC2)n1 ZINC000768893920 577314756 /nfs/dbraw/zinc/31/47/56/577314756.db2.gz VFSISHBKRAYBEJ-UHFFFAOYSA-N 0 1 343.427 2.517 20 10 EFCDMN COC(=O)c1cc2ccccc2c(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c1O ZINC000737676229 577344676 /nfs/dbraw/zinc/34/46/76/577344676.db2.gz DBGUBSHPEDJXFB-CYBMUJFWSA-N 0 1 343.379 2.629 20 10 EFCDMN Cn1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000771055773 581169433 /nfs/dbraw/zinc/16/94/33/581169433.db2.gz FAOVGJJCRWPAIB-MRXNPFEDSA-N 0 1 347.846 2.779 20 10 EFCDMN C[C@@H](NC(=O)c1nnc2ccccc2c1O)c1ccc(N(C)C)cc1 ZINC000772997347 581386628 /nfs/dbraw/zinc/38/66/28/581386628.db2.gz HEJGNIJZKZDCTM-GFCCVEGCSA-N 0 1 336.395 2.892 20 10 EFCDMN C[C@@H](NC[C@@H](C)S(C)(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000773101370 581396612 /nfs/dbraw/zinc/39/66/12/581396612.db2.gz BVDIQOUCDVNNHT-ZIAGYGMSSA-N 0 1 342.480 2.900 20 10 EFCDMN Cc1cc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)ncn1 ZINC000773108462 581397307 /nfs/dbraw/zinc/39/73/07/581397307.db2.gz YPCAFDHDEFPBQP-CQSZACIVSA-N 0 1 330.407 2.612 20 10 EFCDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000773740492 581460353 /nfs/dbraw/zinc/46/03/53/581460353.db2.gz PRJULKXMCLAQAW-ZETCQYMHSA-N 0 1 343.305 2.509 20 10 EFCDMN CCN(CC)Cc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)o1 ZINC000773750738 581461429 /nfs/dbraw/zinc/46/14/29/581461429.db2.gz WJDHMSAXEWPYTM-CYBMUJFWSA-N 0 1 346.427 2.894 20 10 EFCDMN COc1c([O-])c(C[N@@H+](C)[C@H]2C[C@@](C)(OC)C2(C)C)ccc1[N+](=O)[O-] ZINC000774916006 581504112 /nfs/dbraw/zinc/50/41/12/581504112.db2.gz XRHNBYQTZWBMFZ-SUMWQHHRSA-N 0 1 338.404 2.944 20 10 EFCDMN O=C([O-])c1cc[nH+]c(NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000821554469 598219674 /nfs/dbraw/zinc/21/96/74/598219674.db2.gz XPAQWWQRHZQMDW-UHFFFAOYSA-N 0 1 341.411 2.601 20 10 EFCDMN CC(C)[N@H+]1CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736475053 599767933 /nfs/dbraw/zinc/76/79/33/599767933.db2.gz SAYBGAGHYJYGOQ-ALCCZGGFSA-N 0 1 333.388 2.613 20 10 EFCDMN O=C([O-])c1ccoc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000740249438 600143801 /nfs/dbraw/zinc/14/38/01/600143801.db2.gz VTECESHCYIZPFD-CQSZACIVSA-N 0 1 331.368 2.865 20 10 EFCDMN C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000736749058 600259711 /nfs/dbraw/zinc/25/97/11/600259711.db2.gz VVQMTEDVYGALFU-DNLDONJPSA-N 0 1 347.436 2.585 20 10 EFCDMN C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000736749058 600259713 /nfs/dbraw/zinc/25/97/13/600259713.db2.gz VVQMTEDVYGALFU-DNLDONJPSA-N 0 1 347.436 2.585 20 10 EFCDMN O=C([O-])c1coc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000740268672 600314120 /nfs/dbraw/zinc/31/41/20/600314120.db2.gz JMURTGMZCGPFEN-OAHLLOKOSA-N 0 1 331.368 2.865 20 10 EFCDMN CC[N@H+]1CCC[C@H]1CN(C)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000325700880 601201633 /nfs/dbraw/zinc/20/16/33/601201633.db2.gz UWPNYUURCHTYTP-LEJCZOIISA-N 0 1 333.388 2.613 20 10 EFCDMN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000829162850 601252835 /nfs/dbraw/zinc/25/28/35/601252835.db2.gz UOHKPXNPKGOUQB-JHSOUAKNSA-N 0 1 345.399 2.756 20 10 EFCDMN C[C@H]1C[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C[C@@H]1N(C)C ZINC000828457645 601635040 /nfs/dbraw/zinc/63/50/40/601635040.db2.gz VTWCZMXNAQWPOC-SJCJKPOMSA-N 0 1 328.412 2.626 20 10 EFCDMN C[C@H]1CN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)C[C@@H]1[NH+](C)C ZINC000828457645 601635041 /nfs/dbraw/zinc/63/50/41/601635041.db2.gz VTWCZMXNAQWPOC-SJCJKPOMSA-N 0 1 328.412 2.626 20 10 EFCDMN C[N@H+]1CCC[C@@H]2CN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])CC[C@@H]21 ZINC000327427690 604276474 /nfs/dbraw/zinc/27/64/74/604276474.db2.gz DBDMFPLOJGRTIQ-ZWXLGZMVSA-N 0 1 345.399 2.613 20 10 EFCDMN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1C(=O)[O-] ZINC000833695783 604524653 /nfs/dbraw/zinc/52/46/53/604524653.db2.gz WUTGJBRBNNSXRT-UHFFFAOYSA-N 0 1 340.423 2.853 20 10 EFCDMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000833181818 604680722 /nfs/dbraw/zinc/68/07/22/604680722.db2.gz LQELCANYRJWPQL-NEWSRXKRSA-N 0 1 344.455 2.741 20 10 EFCDMN C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000830929038 604783584 /nfs/dbraw/zinc/78/35/84/604783584.db2.gz VOZMFWFGBQHQNY-RUCLMCIISA-N 0 1 345.399 2.613 20 10 EFCDMN C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(Cl)cc(F)c1[O-] ZINC000825977139 608580635 /nfs/dbraw/zinc/58/06/35/608580635.db2.gz YKUYJMBPGFXQQF-UHFFFAOYSA-N 0 1 347.781 2.997 20 10 EFCDMN COC(=O)N(C)CC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000850548383 1250529550 /nfs/dbraw/zinc/52/95/50/1250529550.db2.gz PUSKXOSMBJMUJK-SECBINFHSA-N 0 1 331.210 2.504 20 10 EFCDMN CC[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1nccn1C ZINC000850567897 1250540881 /nfs/dbraw/zinc/54/08/81/1250540881.db2.gz LOWDNCDWRPFMKU-GOSISDBHSA-N 0 1 328.460 2.622 20 10 EFCDMN CC(C)=CCN1CC[C@@]2(CC[N@@H+](Cc3cccc(F)c3[O-])C2)C1=O ZINC001273303629 1265999880 /nfs/dbraw/zinc/99/98/80/1265999880.db2.gz MXTVFFNMCOISAX-LJQANCHMSA-N 0 1 332.419 2.922 20 10 EFCDMN COCCOc1ncccc1CNCc1ccc2c(c1)CCCO2 ZINC000921537456 1257078890 /nfs/dbraw/zinc/07/88/90/1257078890.db2.gz LLSWLMGLXNZWKV-UHFFFAOYSA-N 0 1 328.412 2.722 20 10 EFCDMN CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708147310 1259678836 /nfs/dbraw/zinc/67/88/36/1259678836.db2.gz XRUQPQSHGJEGDJ-QMMMGPOBSA-N 0 1 349.656 2.622 20 10 EFCDMN CC[C@H](F)CN1CCC(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001004241262 1266345982 /nfs/dbraw/zinc/34/59/82/1266345982.db2.gz JTECQKHTBVMSQI-ZDUSSCGKSA-N 0 1 349.410 2.791 20 10 EFCDMN CN(C)c1ccc(CN[C@H]2CCN(C3CCCCC3)C2=O)cc1F ZINC000131669817 1261013224 /nfs/dbraw/zinc/01/32/24/1261013224.db2.gz PQVKRMBKUTUDRX-KRWDZBQOSA-N 0 1 333.451 2.915 20 10 EFCDMN CC[C@@H](C)NC(=O)[C@@H]1CC12CCN(Cc1ccc(O)c(O)c1)CC2 ZINC001272903400 1261295963 /nfs/dbraw/zinc/29/59/63/1261295963.db2.gz SNTCUTANCUADLD-HIFRSBDPSA-N 0 1 332.444 2.615 20 10 EFCDMN CC(C)=CCNC(=O)[C@H]1CC12CCN(Cc1ccc(O)c(O)c1)CC2 ZINC001272903347 1261296316 /nfs/dbraw/zinc/29/63/16/1261296316.db2.gz RBGATDNRLWSHTN-MRXNPFEDSA-N 0 1 344.455 2.782 20 10 EFCDMN CC(C)CN1CC[C@]2(CC[N@@H+](Cc3c(F)ccc(F)c3[O-])C2)C1=O ZINC001273207098 1263358623 /nfs/dbraw/zinc/35/86/23/1263358623.db2.gz XZEGYTVKVNZPQI-SFHVURJKSA-N 0 1 338.398 2.751 20 10 EFCDMN C[C@H]1CN(C(=O)C[N@@H+](Cc2ccccc2O)C2CCCC2)C[C@H](C)O1 ZINC000733613205 1265317804 /nfs/dbraw/zinc/31/78/04/1265317804.db2.gz DMEILGJPYZCLDQ-HOTGVXAUSA-N 0 1 346.471 2.773 20 10 EFCDMN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000824856547 1278315069 /nfs/dbraw/zinc/31/50/69/1278315069.db2.gz ZSJKWYKDFKLEIR-LBPRGKRZSA-N 0 1 328.206 2.682 20 10 EFCDMN COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000824856547 1278315085 /nfs/dbraw/zinc/31/50/85/1278315085.db2.gz ZSJKWYKDFKLEIR-LBPRGKRZSA-N 0 1 328.206 2.682 20 10 EFCDMN CS(=O)(=O)C[C@@H]1CCCCN1Cc1c(O)ccc(Cl)c1F ZINC000824914377 1278341486 /nfs/dbraw/zinc/34/14/86/1278341486.db2.gz RHBNPRZAWNRWNB-JTQLQIEISA-N 0 1 335.828 2.584 20 10 EFCDMN [O-]c1cc(Br)ccc1C[NH2+]CCCNc1ncccn1 ZINC000825037998 1278391394 /nfs/dbraw/zinc/39/13/94/1278391394.db2.gz MXIDOJVHDKXMHD-UHFFFAOYSA-N 0 1 337.221 2.537 20 10 EFCDMN COc1c([O-])c(C[N@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)ccc1[N+](=O)[O-] ZINC000825104432 1278399661 /nfs/dbraw/zinc/39/96/61/1278399661.db2.gz WWOZWAMWDDLYHY-ZIAGYGMSSA-N 0 1 336.388 2.698 20 10 EFCDMN Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1ccc(Br)cc1[O-])C2 ZINC000825096243 1278410456 /nfs/dbraw/zinc/41/04/56/1278410456.db2.gz DEGAJUJYGYRHJB-AWEZNQCLSA-N 0 1 348.244 2.900 20 10 EFCDMN Cc1cc(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)n[nH]1 ZINC000738472116 1268476638 /nfs/dbraw/zinc/47/66/38/1268476638.db2.gz BTHCMENQWFLOEX-UHFFFAOYSA-N 0 1 341.459 2.954 20 10 EFCDMN Cc1cc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n[nH]1 ZINC000739021246 1268609328 /nfs/dbraw/zinc/60/93/28/1268609328.db2.gz TWEGERZJFKZKQV-UHFFFAOYSA-N 0 1 327.432 2.658 20 10 EFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000825138680 1278425750 /nfs/dbraw/zinc/42/57/50/1278425750.db2.gz SQYCQXFETDIWNU-JKSUJKDBSA-N 0 1 334.213 2.903 20 10 EFCDMN CC(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)c(F)cc1[O-] ZINC001273379625 1269301768 /nfs/dbraw/zinc/30/17/68/1269301768.db2.gz YGXUCOXAHLYJLY-HZPDHXFCSA-N 0 1 338.398 2.892 20 10 EFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000825255270 1278487737 /nfs/dbraw/zinc/48/77/37/1278487737.db2.gz ZHWLPXZOCVVYDF-AWEZNQCLSA-N 0 1 325.250 2.729 20 10 EFCDMN CN(CC[NH2+]Cc1ccc(Br)cc1[O-])CC(F)(F)F ZINC000825259177 1278488893 /nfs/dbraw/zinc/48/88/93/1278488893.db2.gz HEFUQHBTCHRESR-UHFFFAOYSA-N 0 1 341.171 2.738 20 10 EFCDMN CCN(CC)c1ccc(CN2CCC[C@H](NC(=O)N(C)C)C2)cc1 ZINC000825278294 1278491846 /nfs/dbraw/zinc/49/18/46/1278491846.db2.gz BEBANMMZSPIHMQ-KRWDZBQOSA-N 0 1 332.492 2.768 20 10 EFCDMN [O-]c1cc(Br)ccc1C[NH2+]CCCOC[C@H]1CCOC1 ZINC000825303585 1278498966 /nfs/dbraw/zinc/49/89/66/1278498966.db2.gz KARACEXNQVMFKM-GFCCVEGCSA-N 0 1 344.249 2.688 20 10 EFCDMN CCCCN(Cc1ccc(N(C)CC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000741754217 1269688667 /nfs/dbraw/zinc/68/86/67/1269688667.db2.gz LIRSECHVAMURQS-SFHVURJKSA-N 0 1 338.517 2.932 20 10 EFCDMN C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2[O-])CN1C1CC1 ZINC000825353681 1278519014 /nfs/dbraw/zinc/51/90/14/1278519014.db2.gz OUUOKAIHMOFFDA-MFKMUULPSA-N 0 1 325.250 2.870 20 10 EFCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000825405238 1278537901 /nfs/dbraw/zinc/53/79/01/1278537901.db2.gz FADZZLHCRCYTNO-ZDUSSCGKSA-N 0 1 342.233 2.930 20 10 EFCDMN CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825502574 1278574301 /nfs/dbraw/zinc/57/43/01/1278574301.db2.gz YRQDGWOOVPUUCC-UWVGGRQHSA-N 0 1 330.222 2.832 20 10 EFCDMN O=S1(=O)CCN(Cc2c(O)ccc(Cl)c2F)[C@@H]2CCCC[C@@H]21 ZINC000792164745 1278603559 /nfs/dbraw/zinc/60/35/59/1278603559.db2.gz DKINKIQULGPXIS-OCCSQVGLSA-N 0 1 347.839 2.726 20 10 EFCDMN COCCN(CC(=O)OC(C)(C)C)Cc1c(O)ccc(Cl)c1F ZINC000792166191 1278607193 /nfs/dbraw/zinc/60/71/93/1278607193.db2.gz SZYTVYLPMMTICD-UHFFFAOYSA-N 0 1 347.814 2.975 20 10 EFCDMN CCOC(=O)[C@@H](NCc1c(O)ccc(Cl)c1F)[C@@H]1CCCOC1 ZINC000792177879 1278617454 /nfs/dbraw/zinc/61/74/54/1278617454.db2.gz ALYLRIIBXCZECM-BMIGLBTASA-N 0 1 345.798 2.633 20 10 EFCDMN CCOC(=O)[C@H](NCc1c(O)ccc(Cl)c1F)C1CCOCC1 ZINC000792179723 1278619000 /nfs/dbraw/zinc/61/90/00/1278619000.db2.gz LRBJCNHEGSSCIN-OAHLLOKOSA-N 0 1 345.798 2.633 20 10 EFCDMN CCCN(Cc1cc(Cl)cc(F)c1O)[C@@H](COC)C(=O)OCC ZINC000792188941 1278628649 /nfs/dbraw/zinc/62/86/49/1278628649.db2.gz YRUBVHJBAHEKOU-AWEZNQCLSA-N 0 1 347.814 2.975 20 10 EFCDMN Cc1cc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n[nH]1 ZINC000745828941 1271651062 /nfs/dbraw/zinc/65/10/62/1271651062.db2.gz BKWUOXFJFLYLPM-UHFFFAOYSA-N 0 1 329.448 2.904 20 10 EFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCc2cncn2C1 ZINC000844145445 1278772563 /nfs/dbraw/zinc/77/25/63/1278772563.db2.gz ZJNJIEJETJXKFM-VIFPVBQESA-N 0 1 340.210 2.774 20 10 EFCDMN C[C@H](NCc1ccc(S(C)(=O)=O)s1)c1cc(F)ccc1O ZINC000786960417 1275589802 /nfs/dbraw/zinc/58/98/02/1275589802.db2.gz IJUFTJRVBQLFJU-VIFPVBQESA-N 0 1 329.418 2.847 20 10 EFCDMN CC(C)CN1C[C@H]2C[N@H+](Cc3cccc(Cl)c3[O-])CCN2C1=O ZINC000787289765 1275734858 /nfs/dbraw/zinc/73/48/58/1275734858.db2.gz WGXYAXFGQAWEMG-CQSZACIVSA-N 0 1 337.851 2.623 20 10 EFCDMN CC(C)CN1C[C@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])CCN2C1=O ZINC000787289765 1275734860 /nfs/dbraw/zinc/73/48/60/1275734860.db2.gz WGXYAXFGQAWEMG-CQSZACIVSA-N 0 1 337.851 2.623 20 10 EFCDMN COC(=O)[C@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])[C@H]1C ZINC000787420901 1275770962 /nfs/dbraw/zinc/77/09/62/1275770962.db2.gz MPTVFCDZAOZZJV-ONGXEEELSA-N 0 1 328.206 2.538 20 10 EFCDMN COC(=O)c1cc[nH]c(=O)c1NCc1c(O)ccc(Cl)c1F ZINC000787794868 1275917513 /nfs/dbraw/zinc/91/75/13/1275917513.db2.gz KQBNNUMQWWEIGQ-UHFFFAOYSA-N 0 1 326.711 2.684 20 10 EFCDMN CC[N+](C)(C)Cc1ccccc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170314786 1279009015 /nfs/dbraw/zinc/00/90/15/1279009015.db2.gz IIFXYZVDYKGZCE-UHFFFAOYSA-O 0 1 329.420 2.989 20 10 EFCDMN CCN(C)C(=O)[C@@H](C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000788973275 1276421471 /nfs/dbraw/zinc/42/14/71/1276421471.db2.gz QQWHCCMMHFRFQZ-CQSZACIVSA-N 0 1 348.447 2.542 20 10 EFCDMN CN1CCN(c2ccc(CNc3ccc4oc(=O)[nH]c4c3)cc2)CC1 ZINC000789563238 1276850718 /nfs/dbraw/zinc/85/07/18/1276850718.db2.gz OUJZRIGKMWVJCY-UHFFFAOYSA-N 0 1 338.411 2.897 20 10 EFCDMN O=C(Nc1ccc2c(c1)NC(=O)CS2)c1c(F)ccc(O)c1O ZINC000789947505 1277111686 /nfs/dbraw/zinc/11/16/86/1277111686.db2.gz XILQOIVZBKCNAQ-UHFFFAOYSA-N 0 1 334.328 2.533 20 10 EFCDMN Cn1ccnc1-c1cccc(NC(=O)c2c(F)ccc(O)c2O)c1 ZINC000789959531 1277124061 /nfs/dbraw/zinc/12/40/61/1277124061.db2.gz RLLOONBUKRETKW-UHFFFAOYSA-N 0 1 327.315 2.890 20 10 EFCDMN CCOC(=O)c1c(C)[nH]nc1CN(C)c1ccc(OC)cc1OC ZINC000821396990 1277535440 /nfs/dbraw/zinc/53/54/40/1277535440.db2.gz YAGWTFLRADLPNM-UHFFFAOYSA-N 0 1 333.388 2.548 20 10 EFCDMN Cn1cc([C@@H]2CSCCN2Cc2c(O)ccc3ccncc32)cn1 ZINC000790469286 1277579951 /nfs/dbraw/zinc/57/99/51/1277579951.db2.gz ATGMEVVUGWAEEZ-KRWDZBQOSA-N 0 1 340.452 2.964 20 10 EFCDMN CCOCCOC[C@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000790761198 1277746540 /nfs/dbraw/zinc/74/65/40/1277746540.db2.gz SCXPXIRKDBOWQD-GDBMZVCRSA-N 0 1 333.428 2.610 20 10 EFCDMN Cc1cc(CN2CCN(c3ccc(F)cn3)CC2)ccc1N(C)C ZINC000815085029 1287307441 /nfs/dbraw/zinc/30/74/41/1287307441.db2.gz 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ZINC000804972251 1280418235 /nfs/dbraw/zinc/41/82/35/1280418235.db2.gz CGNYFDMRTWGZJI-SECBINFHSA-N 0 1 333.215 2.925 20 10 EFCDMN Nc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000805135932 1280454337 /nfs/dbraw/zinc/45/43/37/1280454337.db2.gz WOVPMJKBRPVHFB-UHFFFAOYSA-N 0 1 347.223 2.760 20 10 EFCDMN C[C@@H]1C[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC[N@H+]1C ZINC000805187744 1280473964 /nfs/dbraw/zinc/47/39/64/1280473964.db2.gz VKTGYVZZCPRCHF-BXKDBHETSA-N 0 1 346.258 2.981 20 10 EFCDMN CO[C@@H](C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)[O-])C1CC1 ZINC000846779221 1280482798 /nfs/dbraw/zinc/48/27/98/1280482798.db2.gz LTOFQAMQCJTXQR-YPMHNXCESA-N 0 1 331.771 2.543 20 10 EFCDMN Cc1nonc1C[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000872137847 1287441945 /nfs/dbraw/zinc/44/19/45/1287441945.db2.gz XEKQZNNZPBTJOK-ZCFIWIBFSA-N 0 1 330.157 2.836 20 10 EFCDMN C[C@@H](CO)CCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807031668 1281203557 /nfs/dbraw/zinc/20/35/57/1281203557.db2.gz CLFXGALGQABTLV-SECBINFHSA-N 0 1 335.231 2.907 20 10 EFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCC12OCCO2 ZINC000807840541 1281435459 /nfs/dbraw/zinc/43/54/59/1281435459.db2.gz DFSYTKDNCIFNIA-LLVKDONJSA-N 0 1 346.210 2.858 20 10 EFCDMN CNc1nc(C)cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000807841162 1281436266 /nfs/dbraw/zinc/43/62/66/1281436266.db2.gz UCMWQMQWWIGJJG-UHFFFAOYSA-N 0 1 341.198 2.769 20 10 EFCDMN CC1=C(C(=O)NCc2cc(Cl)cc(Cl)c2O)C(=O)OC1(C)C ZINC000807840902 1281436277 /nfs/dbraw/zinc/43/62/77/1281436277.db2.gz NGGJYKFKNJSENZ-UHFFFAOYSA-N 0 1 344.194 2.967 20 10 EFCDMN O=C(CCCn1ccnc1)NCc1cc(Cl)cc(Cl)c1O ZINC000807835293 1281446956 /nfs/dbraw/zinc/44/69/56/1281446956.db2.gz DIFINYRLWUHTCD-UHFFFAOYSA-N 0 1 328.199 2.992 20 10 EFCDMN O=C(CCOC[C@H]1CCCO1)NCc1cc(Cl)cc(Cl)c1O ZINC000807837698 1281447079 /nfs/dbraw/zinc/44/70/79/1281447079.db2.gz ASYPEUHELDQICW-GFCCVEGCSA-N 0 1 348.226 2.901 20 10 EFCDMN CC(=O)N1CCC(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000807838058 1281447301 /nfs/dbraw/zinc/44/73/01/1281447301.db2.gz 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/nfs/dbraw/zinc/37/71/50/1282377150.db2.gz NKIONCBQTSIKIJ-OAHLLOKOSA-N 0 1 337.439 2.992 20 10 EFCDMN Oc1c(Br)cccc1CN1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000809699548 1282383350 /nfs/dbraw/zinc/38/33/50/1282383350.db2.gz SSVJEOCQKOCFDN-KGLIPLIRSA-N 0 1 342.233 2.535 20 10 EFCDMN C[N@H+](Cc1cccc(Br)c1[O-])C[C@H](O)C(F)(F)F ZINC000809750957 1282454801 /nfs/dbraw/zinc/45/48/01/1282454801.db2.gz KKXBUQODBDAHKR-VIFPVBQESA-N 0 1 328.128 2.510 20 10 EFCDMN COCCOCC[N@@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000809790017 1282488186 /nfs/dbraw/zinc/48/81/86/1282488186.db2.gz SQFHJHDDBNGOQT-UHFFFAOYSA-N 0 1 332.238 2.558 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)N3CCC3(C)C)cc2F)CC1 ZINC000747583518 1282682034 /nfs/dbraw/zinc/68/20/34/1282682034.db2.gz XVJHHHNWBQNMDK-UHFFFAOYSA-N 0 1 348.466 2.662 20 10 EFCDMN COC(=O)c1cc(C(C)(C)NCc2c(O)ccc(Cl)c2F)no1 ZINC000810166347 1282961910 /nfs/dbraw/zinc/96/19/10/1282961910.db2.gz RMHSOWCGVDRFGJ-UHFFFAOYSA-N 0 1 342.754 2.984 20 10 EFCDMN C[C@H](CN1CCN(C)CC1)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815577440 1287609117 /nfs/dbraw/zinc/60/91/17/1287609117.db2.gz QCSYGUDBPWTWCI-CHWSQXEVSA-N 0 1 345.409 2.698 20 10 EFCDMN CCOCc1cc(CNCc2ccc(OC)nc2OC)ccc1OC ZINC000810177802 1283008466 /nfs/dbraw/zinc/00/84/66/1283008466.db2.gz WUQIPHOYKNNZSY-UHFFFAOYSA-N 0 1 346.427 2.934 20 10 EFCDMN CC[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220270 1283048249 /nfs/dbraw/zinc/04/82/49/1283048249.db2.gz TUJBZOYAKKYGDA-HIFRSBDPSA-N 0 1 343.349 2.919 20 10 EFCDMN CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810238079 1283089068 /nfs/dbraw/zinc/08/90/68/1283089068.db2.gz XXWIKPGSKCWGED-DZGCQCFKSA-N 0 1 332.366 2.518 20 10 EFCDMN CC[C@H]([NH2+]CC(=O)NCC(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238450 1283091583 /nfs/dbraw/zinc/09/15/83/1283091583.db2.gz PYGJQACMEYENDU-JTQLQIEISA-N 0 1 340.292 2.833 20 10 EFCDMN COc1ccc(O)c([C@H](C)NC(=O)c2cn[nH]c2-c2ccccn2)c1 ZINC000810347867 1283168632 /nfs/dbraw/zinc/16/86/32/1283168632.db2.gz NSXAXPFBKBKKDH-NSHDSACASA-N 0 1 338.367 2.677 20 10 EFCDMN O=C(NCCCSc1nccs1)c1cn[nH]c1-c1ccccn1 ZINC000810398713 1283190736 /nfs/dbraw/zinc/19/07/36/1283190736.db2.gz NVANBOFQLJLGBV-UHFFFAOYSA-N 0 1 345.453 2.840 20 10 EFCDMN CN1CCC[C@@H]1C[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000715736055 1284320568 /nfs/dbraw/zinc/32/05/68/1284320568.db2.gz FTSBOPFSKZQVQD-GFCCVEGCSA-N 0 1 331.229 2.820 20 10 EFCDMN CN(Cc1cc(Br)cc(F)c1[O-])C[C@H]1CCC[N@@H+]1C ZINC000715736055 1284320574 /nfs/dbraw/zinc/32/05/74/1284320574.db2.gz FTSBOPFSKZQVQD-GFCCVEGCSA-N 0 1 331.229 2.820 20 10 EFCDMN CN(Cc1cc(Br)cc(F)c1[O-])C[C@H]1CCC[N@H+]1C ZINC000715736055 1284320577 /nfs/dbraw/zinc/32/05/77/1284320577.db2.gz FTSBOPFSKZQVQD-GFCCVEGCSA-N 0 1 331.229 2.820 20 10 EFCDMN CCOc1ccc(CN(C)C2CN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000811514771 1284391988 /nfs/dbraw/zinc/39/19/88/1284391988.db2.gz FRSLSPJWPGVKIW-UHFFFAOYSA-N 0 1 336.432 2.842 20 10 EFCDMN Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000811786014 1284650245 /nfs/dbraw/zinc/65/02/45/1284650245.db2.gz LSTUOBNDLLDXIQ-CYBMUJFWSA-N 0 1 344.377 2.900 20 10 EFCDMN Cc1cc(C)c(O)c(C[N@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000811786014 1284650256 /nfs/dbraw/zinc/65/02/56/1284650256.db2.gz LSTUOBNDLLDXIQ-CYBMUJFWSA-N 0 1 344.377 2.900 20 10 EFCDMN CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cc(F)ccc3O)[C@@H]2C1 ZINC000822507882 1289018878 /nfs/dbraw/zinc/01/88/78/1289018878.db2.gz KAXDFBXWQLTLQA-IUODEOHRSA-N 0 1 336.407 2.973 20 10 EFCDMN COc1c([O-])c(C[N@H+](C)C[C@@](C)(O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000822517201 1289022811 /nfs/dbraw/zinc/02/28/11/1289022811.db2.gz UZYBONHSGKBMPD-GOSISDBHSA-N 0 1 346.383 2.649 20 10 EFCDMN COc1c([O-])c(C[N@@H+](C)C[C@@](C)(O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000822517201 1289022820 /nfs/dbraw/zinc/02/28/20/1289022820.db2.gz UZYBONHSGKBMPD-GOSISDBHSA-N 0 1 346.383 2.649 20 10 EFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cnn2ncccc12 ZINC000813682666 1286063147 /nfs/dbraw/zinc/06/31/47/1286063147.db2.gz GROOVNZYGWRTLX-UHFFFAOYSA-N 0 1 337.166 2.672 20 10 EFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1(O)CCSCC1 ZINC000813686316 1286063702 /nfs/dbraw/zinc/06/37/02/1286063702.db2.gz YSFLMOAGHKDERJ-UHFFFAOYSA-N 0 1 336.240 2.573 20 10 EFCDMN COC(=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC001172607198 1286200684 /nfs/dbraw/zinc/20/06/84/1286200684.db2.gz VBAQUYMJPFCXAA-GWCFXTLKSA-N 0 1 342.233 2.976 20 10 EFCDMN CCOc1ccc(CNCc2cc(C)nc(N3CCCC3)n2)c(O)c1 ZINC000814178442 1286359776 /nfs/dbraw/zinc/35/97/76/1286359776.db2.gz PTPYJJSQBLYZRG-UHFFFAOYSA-N 0 1 342.443 2.779 20 10 EFCDMN [O-]c1c(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)ccc2ccccc21 ZINC000816494366 1288162376 /nfs/dbraw/zinc/16/23/76/1288162376.db2.gz IULGTTHKRFLMIN-GOSISDBHSA-N 0 1 326.440 2.842 20 10 EFCDMN [O-]c1c(C[N@H+]2CCC[C@@H]2CN2CCOCC2)ccc2ccccc21 ZINC000816494366 1288162380 /nfs/dbraw/zinc/16/23/80/1288162380.db2.gz IULGTTHKRFLMIN-GOSISDBHSA-N 0 1 326.440 2.842 20 10 EFCDMN [O-]c1c(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)ccc2ccccc21 ZINC000816515040 1288183777 /nfs/dbraw/zinc/18/37/77/1288183777.db2.gz NZNWZFGFQSXEPF-MRXNPFEDSA-N 0 1 326.440 2.700 20 10 EFCDMN [O-]c1c(C[N@H+]2CC[C@H](CN3CCOCC3)C2)ccc2ccccc21 ZINC000816515040 1288183781 /nfs/dbraw/zinc/18/37/81/1288183781.db2.gz NZNWZFGFQSXEPF-MRXNPFEDSA-N 0 1 326.440 2.700 20 10 EFCDMN [O-]c1c(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)ccc2ccccc21 ZINC000816515039 1288184189 /nfs/dbraw/zinc/18/41/89/1288184189.db2.gz NZNWZFGFQSXEPF-INIZCTEOSA-N 0 1 326.440 2.700 20 10 EFCDMN [O-]c1c(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)ccc2ccccc21 ZINC000816515039 1288184192 /nfs/dbraw/zinc/18/41/92/1288184192.db2.gz NZNWZFGFQSXEPF-INIZCTEOSA-N 0 1 326.440 2.700 20 10 EFCDMN O=C1CCC[C@H]1[C@H]1COCCN1Cc1cc(Cl)c(F)cc1O ZINC000816586500 1288208582 /nfs/dbraw/zinc/20/85/82/1288208582.db2.gz JXVDDZDBPAYDHG-SMDDNHRTSA-N 0 1 327.783 2.755 20 10 EFCDMN CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816569921 1288212363 /nfs/dbraw/zinc/21/23/63/1288212363.db2.gz BFKIZPIKDSAQOS-LJQANCHMSA-N 0 1 331.412 2.728 20 10 EFCDMN Cc1nnc(CCC(=O)NCc2cc(Cl)cc(Cl)c2O)o1 ZINC000822949132 1289163603 /nfs/dbraw/zinc/16/36/03/1289163603.db2.gz FLWRPVMCELBYMT-UHFFFAOYSA-N 0 1 330.171 2.639 20 10 EFCDMN C[C@H]1CN(Cc2cc(Cl)c(F)cc2O)C[C@]2(CCCOC2)O1 ZINC000816598251 1288219103 /nfs/dbraw/zinc/21/91/03/1288219103.db2.gz UXPIZZMNDFWNLK-ZBEGNZNMSA-N 0 1 329.799 2.955 20 10 EFCDMN c1cc(N2CCOCC2)ccc1CN1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000816666711 1288237308 /nfs/dbraw/zinc/23/73/08/1288237308.db2.gz UXQNPFGARRJJOL-WOJBJXKFSA-N 0 1 328.456 2.667 20 10 EFCDMN CCn1nc(C)c(C(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000816682288 1288244831 /nfs/dbraw/zinc/24/48/31/1288244831.db2.gz ULKMUYNTDSYDQB-UHFFFAOYSA-N 0 1 329.187 2.549 20 10 EFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CCO)CC2)c1[O-] ZINC000817419777 1288593902 /nfs/dbraw/zinc/59/39/02/1288593902.db2.gz XPROZIZYUIRITB-LLVKDONJSA-N 0 1 328.796 2.938 20 10 EFCDMN CC[C@H]([NH2+]CC1(CC(N)=O)CC1)c1cc(Br)ccc1[O-] ZINC000817585579 1288665024 /nfs/dbraw/zinc/66/50/24/1288665024.db2.gz GUKCYWZDGJLWGM-LBPRGKRZSA-N 0 1 341.249 2.851 20 10 EFCDMN CC/C(C)=C\C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000822238118 1288913142 /nfs/dbraw/zinc/91/31/42/1288913142.db2.gz TXFOJLBYLPXYLD-MSUUIHNZSA-N 0 1 345.487 2.680 20 10 EFCDMN COC(=O)c1c(CN2CC3(C2)CCOCC3)c2ccccc2n1C ZINC001232408132 1312695575 /nfs/dbraw/zinc/69/55/75/1312695575.db2.gz WXFMDYDZUAVVPO-UHFFFAOYSA-N 0 1 328.412 2.577 20 10 EFCDMN COC(=O)c1c(CN(C)C[C@@H]2CCCCO2)c2ccccc2n1C ZINC001232407768 1312695744 /nfs/dbraw/zinc/69/57/44/1312695744.db2.gz TZANUVRDDPIJFH-AWEZNQCLSA-N 0 1 330.428 2.966 20 10 EFCDMN COc1ccc(CNCc2cnc(C)s2)cc1Cn1cccn1 ZINC000873043398 1289536626 /nfs/dbraw/zinc/53/66/26/1289536626.db2.gz NMFSWZPFKOEMRT-UHFFFAOYSA-N 0 1 328.441 2.995 20 10 EFCDMN CCCOc1ccc(CNCCS(=O)(=O)CC2CC2)cc1C ZINC000873079388 1289556396 /nfs/dbraw/zinc/55/63/96/1289556396.db2.gz FNRDMXZVWDBTEK-UHFFFAOYSA-N 0 1 325.474 2.698 20 10 EFCDMN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000824167612 1289558312 /nfs/dbraw/zinc/55/83/12/1289558312.db2.gz UUXRCOSGLWMTSA-SFHVURJKSA-N 0 1 339.439 2.808 20 10 EFCDMN CNC(=O)[C@H]1CCCCN1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000824560994 1289700413 /nfs/dbraw/zinc/70/04/13/1289700413.db2.gz NURGCDMVGPFYMJ-MRXNPFEDSA-N 0 1 334.460 2.799 20 10 EFCDMN O=C(CCc1ccc(O)c(O)c1)Nc1nc(Cl)cc2[nH]cnc21 ZINC001182154627 1290096305 /nfs/dbraw/zinc/09/63/05/1290096305.db2.gz KEQDEEBUVQERHH-UHFFFAOYSA-N 0 1 332.747 2.594 20 10 EFCDMN COc1ccc(N2CCN(Cc3ccc(CCO)cc3)CC2)cc1 ZINC001232774460 1312774960 /nfs/dbraw/zinc/77/49/60/1312774960.db2.gz LGEYQTMSRJETAC-UHFFFAOYSA-N 0 1 326.440 2.552 20 10 EFCDMN CC(C)([NH2+]Cc1ccc(Br)cc1[O-])C(=O)N1CCCC1 ZINC000825752413 1290400389 /nfs/dbraw/zinc/40/03/89/1290400389.db2.gz AGMJETFOARTMEM-UHFFFAOYSA-N 0 1 341.249 2.645 20 10 EFCDMN CCOC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]21 ZINC001203582071 1290417577 /nfs/dbraw/zinc/41/75/77/1290417577.db2.gz PCRNDRANWOZKFH-PJXYFTJBSA-N 0 1 330.211 2.940 20 10 EFCDMN COc1ccc(-n2c(C)cc(C(=O)N3CCNC[C@H]3C)c2C)cc1 ZINC000125372294 1290509510 /nfs/dbraw/zinc/50/95/10/1290509510.db2.gz NTFKGEGJCWGGHT-CQSZACIVSA-N 0 1 327.428 2.537 20 10 EFCDMN CN(C)c1ccc(CN2CCN(c3ncccc3Cl)CC2)c(O)c1 ZINC001232840380 1312792920 /nfs/dbraw/zinc/79/29/20/1312792920.db2.gz VXPLYBFWUIUHCY-UHFFFAOYSA-N 0 1 346.862 2.829 20 10 EFCDMN O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1c(F)ccc(O)c1[O-] ZINC000825849429 1290813600 /nfs/dbraw/zinc/81/36/00/1290813600.db2.gz HFBWKLXPZCPVJN-CQSZACIVSA-N 0 1 344.386 2.631 20 10 EFCDMN O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1c(F)ccc(O)c1[O-] ZINC000825849429 1290813608 /nfs/dbraw/zinc/81/36/08/1290813608.db2.gz HFBWKLXPZCPVJN-CQSZACIVSA-N 0 1 344.386 2.631 20 10 EFCDMN CC1CCC([NH+]2CCN(C(=O)c3c([O-])c(O)ccc3F)CC2)CC1 ZINC000825869328 1290895058 /nfs/dbraw/zinc/89/50/58/1290895058.db2.gz XZBOBKICKCWUEZ-UHFFFAOYSA-N 0 1 336.407 2.573 20 10 EFCDMN CC(C)[C@H]([NH2+]Cc1ccc(Br)cc1[O-])c1nncn1C ZINC000825882721 1290930719 /nfs/dbraw/zinc/93/07/19/1290930719.db2.gz NLGCDUFXSIMKPX-ZDUSSCGKSA-N 0 1 339.237 2.770 20 10 EFCDMN CC(C)[C@H](NCc1ccc(Br)cc1O)c1nncn1C ZINC000825882721 1290930723 /nfs/dbraw/zinc/93/07/23/1290930723.db2.gz NLGCDUFXSIMKPX-ZDUSSCGKSA-N 0 1 339.237 2.770 20 10 EFCDMN COC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1O ZINC001232974434 1312823632 /nfs/dbraw/zinc/82/36/32/1312823632.db2.gz OAHGEBXSWXKNTD-GFCCVEGCSA-N 0 1 347.196 2.608 20 10 EFCDMN COC[C@H]1CCCN1Cc1ccc(I)cc1O ZINC001232974434 1312823634 /nfs/dbraw/zinc/82/36/34/1312823634.db2.gz OAHGEBXSWXKNTD-GFCCVEGCSA-N 0 1 347.196 2.608 20 10 EFCDMN COC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1[O-] ZINC001232974434 1312823637 /nfs/dbraw/zinc/82/36/37/1312823637.db2.gz OAHGEBXSWXKNTD-GFCCVEGCSA-N 0 1 347.196 2.608 20 10 EFCDMN COC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1[O-] ZINC001232974434 1312823641 /nfs/dbraw/zinc/82/36/41/1312823641.db2.gz OAHGEBXSWXKNTD-GFCCVEGCSA-N 0 1 347.196 2.608 20 10 EFCDMN [O-]c1cc(I)ccc1C[N@@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001232979561 1312824274 /nfs/dbraw/zinc/82/42/74/1312824274.db2.gz GESIDYVVPCWLFP-CNDDSTCGSA-N 0 1 347.171 2.644 20 10 EFCDMN [O-]c1cc(I)ccc1C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001232979561 1312824277 /nfs/dbraw/zinc/82/42/77/1312824277.db2.gz GESIDYVVPCWLFP-CNDDSTCGSA-N 0 1 347.171 2.644 20 10 EFCDMN Oc1cc(I)ccc1CN1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001232979561 1312824281 /nfs/dbraw/zinc/82/42/81/1312824281.db2.gz GESIDYVVPCWLFP-CNDDSTCGSA-N 0 1 347.171 2.644 20 10 EFCDMN C[C@H](NCc1ccc(Cl)nn1)c1ccc(N2CCOCC2)cc1 ZINC000876986950 1291098833 /nfs/dbraw/zinc/09/88/33/1291098833.db2.gz NKSILSHBVABQHA-ZDUSSCGKSA-N 0 1 332.835 2.817 20 10 EFCDMN CN(CCc1cccc(C(F)(F)F)n1)Cc1cc(O)c(O)c(O)c1 ZINC001233009813 1312831769 /nfs/dbraw/zinc/83/17/69/1312831769.db2.gz CCFOKPOHIYMALM-UHFFFAOYSA-N 0 1 342.317 2.892 20 10 EFCDMN Cc1cc(C(=O)N2CCNC[C@@H]2C(C)C)c(C)n1-c1ccccn1 ZINC000876998454 1291101781 /nfs/dbraw/zinc/10/17/81/1291101781.db2.gz NSEUYZNXJVALDI-QGZVFWFLSA-N 0 1 326.444 2.559 20 10 EFCDMN C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093420952 1291134861 /nfs/dbraw/zinc/13/48/61/1291134861.db2.gz KLSAMVILRBXCEP-IUCAKERBSA-N 0 1 340.272 2.952 20 10 EFCDMN C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093420952 1291134866 /nfs/dbraw/zinc/13/48/66/1291134866.db2.gz KLSAMVILRBXCEP-IUCAKERBSA-N 0 1 340.272 2.952 20 10 EFCDMN COc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000126385571 1291153682 /nfs/dbraw/zinc/15/36/82/1291153682.db2.gz IFRXNOINBRBMBJ-AWEZNQCLSA-N 0 1 345.418 2.917 20 10 EFCDMN O=C1CCN(Cc2c(O)cc(Br)cc2F)CC[C@@H]1F ZINC001233028557 1312835728 /nfs/dbraw/zinc/83/57/28/1312835728.db2.gz RFNUQXGQIGVIMR-JTQLQIEISA-N 0 1 334.160 2.797 20 10 EFCDMN Cc1ncc2n1CCN(Cc1c(O)cc(Br)cc1F)C2 ZINC001233028522 1312836087 /nfs/dbraw/zinc/83/60/87/1312836087.db2.gz PSIOCLZNYXKMMI-UHFFFAOYSA-N 0 1 340.196 2.815 20 10 EFCDMN C[C@H]1C[N@@H+](Cc2c([O-])cc(Br)cc2F)CCC[C@@H]1O ZINC001233029017 1312836474 /nfs/dbraw/zinc/83/64/74/1312836474.db2.gz YEYKCIPBOXNPPW-ZANVPECISA-N 0 1 332.213 2.887 20 10 EFCDMN [O-]c1cc(Br)cc(F)c1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC001233030742 1312836581 /nfs/dbraw/zinc/83/65/81/1312836581.db2.gz LXAKKXOKKOMSHL-LBPRGKRZSA-N 0 1 343.240 2.964 20 10 EFCDMN CC(C)OC(=O)[C@H](C)N(C)Cc1cccc(Br)c1O ZINC000093773165 1291214445 /nfs/dbraw/zinc/21/44/45/1291214445.db2.gz RKOXOIMGPUZIBS-JTQLQIEISA-N 0 1 330.222 2.927 20 10 EFCDMN O=C(NCc1cc(Cl)c2cccnc2c1O)c1n[nH]cc1Cl ZINC001187846359 1291245461 /nfs/dbraw/zinc/24/54/61/1291245461.db2.gz UMVWLNUDYPBYEG-UHFFFAOYSA-N 0 1 337.166 2.900 20 10 EFCDMN Cc1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)nc1C ZINC000877582920 1291282258 /nfs/dbraw/zinc/28/22/58/1291282258.db2.gz CTFORBHDYUPJLZ-UHFFFAOYSA-N 0 1 325.456 2.949 20 10 EFCDMN Oc1cccc2c1CCN(Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC000877658389 1291314274 /nfs/dbraw/zinc/31/42/74/1291314274.db2.gz QLIPWTXHYUIIIB-UHFFFAOYSA-N 0 1 338.451 2.912 20 10 EFCDMN CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000877674237 1291325037 /nfs/dbraw/zinc/32/50/37/1291325037.db2.gz LDSURGJBXRRLFF-ZDUSSCGKSA-N 0 1 341.249 2.645 20 10 EFCDMN C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@@]1(O)C(F)(F)F ZINC001233074656 1312848899 /nfs/dbraw/zinc/84/88/99/1312848899.db2.gz ROWVGZQAKSCBOC-OQPBUACISA-N 0 1 325.277 2.806 20 10 EFCDMN CCOC[C@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])Cc2cn(C)nc21 ZINC001233074512 1312849006 /nfs/dbraw/zinc/84/90/06/1312849006.db2.gz JXGKZNXZHLMYJY-CYBMUJFWSA-N 0 1 337.370 2.540 20 10 EFCDMN CCOC[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])Cc2cn(C)nc21 ZINC001233074512 1312849010 /nfs/dbraw/zinc/84/90/10/1312849010.db2.gz JXGKZNXZHLMYJY-CYBMUJFWSA-N 0 1 337.370 2.540 20 10 EFCDMN O=C1c2ccccc2[C@@H]2C[N@H+](Cc3ccc(F)c(F)c3[O-])CCN12 ZINC001233075756 1312849018 /nfs/dbraw/zinc/84/90/18/1312849018.db2.gz CJOMNLSAUTXZKU-HNNXBMFYSA-N 0 1 330.334 2.683 20 10 EFCDMN O=C1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3[O-])CCN12 ZINC001233075756 1312849021 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EFCDMN C[N@@H+](C1CCOCC1)C1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233078140 1312850538 /nfs/dbraw/zinc/85/05/38/1312850538.db2.gz HPKSLXGFGHLJGK-UHFFFAOYSA-N 0 1 340.414 2.746 20 10 EFCDMN CC[N@@H+]([C@@H]1CCOC1)C1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233078548 1312850602 /nfs/dbraw/zinc/85/06/02/1312850602.db2.gz YHWPMICTTBTINR-OAHLLOKOSA-N 0 1 340.414 2.746 20 10 EFCDMN COc1cccnc1O[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001233079886 1312850777 /nfs/dbraw/zinc/85/07/77/1312850777.db2.gz MSBHZGCSYUAJAK-LBPRGKRZSA-N 0 1 336.338 2.727 20 10 EFCDMN O=C(c1ccco1)N1CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233078141 1312851152 /nfs/dbraw/zinc/85/11/52/1312851152.db2.gz HQIXRGOALRWUPL-UHFFFAOYSA-N 0 1 336.338 2.612 20 10 EFCDMN O=C(c1ccco1)N1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233078141 1312851155 /nfs/dbraw/zinc/85/11/55/1312851155.db2.gz HQIXRGOALRWUPL-UHFFFAOYSA-N 0 1 336.338 2.612 20 10 EFCDMN Cc1cc(O[C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)ncn1 ZINC001233079639 1312851192 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[O-]c1cccc(Br)c1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000862252467 1302323273 /nfs/dbraw/zinc/32/32/73/1302323273.db2.gz UPJYNECZVIULLY-JSGCOSHPSA-N 0 1 344.274 2.861 20 10 EFCDMN [O-]c1cccc(Br)c1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000862252467 1302323286 /nfs/dbraw/zinc/32/32/86/1302323286.db2.gz UPJYNECZVIULLY-JSGCOSHPSA-N 0 1 344.274 2.861 20 10 EFCDMN COC(=O)[C@H]1CC[N@H+](Cc2c([O-])cccc2Br)[C@@H]1C ZINC000862338291 1302336517 /nfs/dbraw/zinc/33/65/17/1302336517.db2.gz OLFKCJGCFRFDDP-ZJUUUORDSA-N 0 1 328.206 2.538 20 10 EFCDMN COC(=O)[C@H]1CC[N@@H+](Cc2c([O-])cccc2Br)[C@@H]1C ZINC000862338291 1302336531 /nfs/dbraw/zinc/33/65/31/1302336531.db2.gz OLFKCJGCFRFDDP-ZJUUUORDSA-N 0 1 328.206 2.538 20 10 EFCDMN COCCO[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862357091 1302345002 /nfs/dbraw/zinc/34/50/02/1302345002.db2.gz TVOKTCBVPJXWBN-GFCCVEGCSA-N 0 1 344.249 2.782 20 10 EFCDMN COCCO[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862357091 1302345013 /nfs/dbraw/zinc/34/50/13/1302345013.db2.gz TVOKTCBVPJXWBN-GFCCVEGCSA-N 0 1 344.249 2.782 20 10 EFCDMN CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1c([O-])cccc1Br ZINC000862387006 1302360140 /nfs/dbraw/zinc/36/01/40/1302360140.db2.gz DWHZLKAMPJJWBX-MFKMUULPSA-N 0 1 342.233 2.976 20 10 EFCDMN COC(=O)[C@@H]1CN(Cc2cc(OC)ccc2O)Cc2ccccc21 ZINC000862539602 1302409155 /nfs/dbraw/zinc/40/91/55/1302409155.db2.gz ZYQVARABEVFARE-QGZVFWFLSA-N 0 1 327.380 2.673 20 10 EFCDMN CCOC(=O)N1CCC[N@H+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000748298138 1313856880 /nfs/dbraw/zinc/85/68/80/1313856880.db2.gz ZMCAVTAUTGVOLQ-UHFFFAOYSA-N 0 1 329.400 2.605 20 10 EFCDMN CCOC(=O)N1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000748298138 1313856882 /nfs/dbraw/zinc/85/68/82/1313856882.db2.gz ZMCAVTAUTGVOLQ-UHFFFAOYSA-N 0 1 329.400 2.605 20 10 EFCDMN Cc1ccc(O)c(CNC(=O)NC[C@@H](c2cccs2)N(C)C)c1 ZINC000864395958 1302922296 /nfs/dbraw/zinc/92/22/96/1302922296.db2.gz DZASEDYKKIESBO-AWEZNQCLSA-N 0 1 333.457 2.864 20 10 EFCDMN COc1cc(CN2CC[C@@H](C)C[C@H]2C(N)=O)c(O)c(C(C)(C)C)c1 ZINC000825568127 1303400416 /nfs/dbraw/zinc/40/04/16/1303400416.db2.gz SAUYXWDEXOXONY-WBMJQRKESA-N 0 1 334.460 2.784 20 10 EFCDMN COCCOc1ccc(N2CCN(C[C@@H]3CCC=CO3)CC2)cc1 ZINC001208882331 1314037363 /nfs/dbraw/zinc/03/73/63/1314037363.db2.gz LJWYPIQVQGJWOK-IBGZPJMESA-N 0 1 332.444 2.527 20 10 EFCDMN CCC(=O)C(C)(C)CN1CCN(c2ccc(OC)cc2OC)CC1 ZINC001208923517 1314047371 /nfs/dbraw/zinc/04/73/71/1314047371.db2.gz SAHMKYFAFCYKEE-UHFFFAOYSA-N 0 1 334.460 2.831 20 10 EFCDMN CN(C)c1ccc(CNC(=O)CN2CC[C@H](c3ccccc3)C2)cc1 ZINC000123379303 1305660429 /nfs/dbraw/zinc/66/04/29/1305660429.db2.gz IMOLUULSOPZHQD-IBGZPJMESA-N 0 1 337.467 2.858 20 10 EFCDMN CC[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1cc(Cl)ccc1[O-] ZINC000800502003 1307989829 /nfs/dbraw/zinc/98/98/29/1307989829.db2.gz JNPDVZRYJYZPJQ-OAHLLOKOSA-N 0 1 343.851 2.644 20 10 EFCDMN C[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1ccc2ccccc2c1[O-] ZINC000800502874 1307993272 /nfs/dbraw/zinc/99/32/72/1307993272.db2.gz YTYADXVYKGQMAS-OAHLLOKOSA-N 0 1 345.439 2.754 20 10 EFCDMN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](C)c1ccsc1)cc2=O ZINC000801570344 1310539729 /nfs/dbraw/zinc/53/97/29/1310539729.db2.gz PBAOGPRCENYFIF-SNVBAGLBSA-N 0 1 346.412 2.524 20 10 EFCDMN CCCC[N@H+](CC[C@H]1CCS(=O)(=O)C1)Cc1ccccc1[O-] ZINC000801597500 1310574069 /nfs/dbraw/zinc/57/40/69/1310574069.db2.gz ILAPHMNLRODYNR-HNNXBMFYSA-N 0 1 325.474 2.819 20 10 EFCDMN CCCC[N@@H+](CC[C@H]1CCS(=O)(=O)C1)Cc1ccccc1[O-] ZINC000801597500 1310574072 /nfs/dbraw/zinc/57/40/72/1310574072.db2.gz ILAPHMNLRODYNR-HNNXBMFYSA-N 0 1 325.474 2.819 20 10 EFCDMN CCCCN(CC(=O)Nc1c(C)nn(C)c1C)Cc1ccccc1O ZINC000801596853 1310575595 /nfs/dbraw/zinc/57/55/95/1310575595.db2.gz RCQRFBUGYFHNGV-UHFFFAOYSA-N 0 1 344.459 2.983 20 10 EFCDMN [NH3+]CC1(F)CCN(Cc2c([O-])cc(Br)cc2F)CC1 ZINC001222548320 1311151153 /nfs/dbraw/zinc/15/11/53/1311151153.db2.gz GAZWEGURMJWZNL-UHFFFAOYSA-N 0 1 335.192 2.557 20 10 EFCDMN CC(C)(C)NC(=O)[C@@H]1CC12CCN(Cc1ccc(O)c(O)c1)CC2 ZINC001276914147 1311294905 /nfs/dbraw/zinc/29/49/05/1311294905.db2.gz ODWRNMGBGVKBRR-AWEZNQCLSA-N 0 1 332.444 2.615 20 10 EFCDMN COCCOCN1CCCC2(CCN(c3ccc(OC)cc3)CC2)C1 ZINC001276927378 1311313533 /nfs/dbraw/zinc/31/35/33/1311313533.db2.gz QGUICJXFEBRJOY-UHFFFAOYSA-N 0 1 348.487 2.998 20 10 EFCDMN Cc1nnc(NCc2cc(Cl)cc(Br)c2O)n1C ZINC000902063851 1311371281 /nfs/dbraw/zinc/37/12/81/1311371281.db2.gz JSESSETZMFFRFM-UHFFFAOYSA-N 0 1 331.601 2.857 20 10 EFCDMN CCN(CC)c1ccc(CN2CC3(C[C@@H]3C(=O)N3CC=CC3)C2)cc1 ZINC001276967628 1311381841 /nfs/dbraw/zinc/38/18/41/1311381841.db2.gz SQEXTQSGDJKAMJ-LJQANCHMSA-N 0 1 339.483 2.753 20 10 EFCDMN COc1ccc(N2CC3(C2)CCN(Cc2cccc(=O)[nH]2)C3)cc1F ZINC001277009957 1311456469 /nfs/dbraw/zinc/45/64/69/1311456469.db2.gz PNIVEZMXKWUUAW-UHFFFAOYSA-N 0 1 343.402 2.647 20 10 EFCDMN COc1ccc(N2CCC3(CN(Cc4cn[nH]c4)C3)CC2)cc1F ZINC001277009657 1311456554 /nfs/dbraw/zinc/45/65/54/1311456554.db2.gz LOVSYYZWWRPNGX-UHFFFAOYSA-N 0 1 330.407 2.660 20 10 EFCDMN FC(F)(F)CCCN1CC2(C1)CN(c1ccc3c(c1)OCCO3)C2 ZINC001277014043 1311463098 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C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001276805401 1315318369 /nfs/dbraw/zinc/31/83/69/1315318369.db2.gz WBWLTAWINAFVST-BETUJISGSA-N 0 1 344.286 2.519 20 10 EFCDMN CC(C)OCCN1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001254019163 1315665937 /nfs/dbraw/zinc/66/59/37/1315665937.db2.gz RISNSKJXFGOGBH-UHFFFAOYSA-N 0 1 331.504 2.829 20 10 EFCDMN FC(F)(F)Oc1ccc(N2CCN([C@@H]3CCCOC3)CC2)cc1 ZINC001254388217 1315700518 /nfs/dbraw/zinc/70/05/18/1315700518.db2.gz RKEYDTLHHITGEU-CQSZACIVSA-N 0 1 330.350 2.886 20 10 EFCDMN COc1ccc(OC)c(S(=O)(=O)Nc2cc(C)c(O)cc2C)c1 ZINC001254420179 1315703006 /nfs/dbraw/zinc/70/30/06/1315703006.db2.gz SMAOLAOXRWRLLT-UHFFFAOYSA-N 0 1 337.397 2.827 20 10 EFCDMN COc1ccc(OC)c(S(=O)(=O)Nc2cccc(N(C)C)c2)c1 ZINC001254436144 1315704179 /nfs/dbraw/zinc/70/41/79/1315704179.db2.gz RYKIRKZGQRIBSM-UHFFFAOYSA-N 0 1 336.413 2.571 20 10 EFCDMN [O-]c1ccc(Cl)c(F)c1C[N@@H+](CCN1CCOCC1)CC1CC1 ZINC000827519349 1315994664 /nfs/dbraw/zinc/99/46/64/1315994664.db2.gz LRHWEXFAVLSAPD-UHFFFAOYSA-N 0 1 342.842 2.729 20 10 EFCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(C)cc(C)c1 ZINC001259523510 1316256517 /nfs/dbraw/zinc/25/65/17/1316256517.db2.gz UAMBYFBRZKKIRD-UHFFFAOYSA-N 0 1 335.381 2.596 20 10 EFCDMN COc1ccc(S(=O)(=O)Nc2ccc(O)cc2OC)cc1Cl ZINC001260973427 1316379691 /nfs/dbraw/zinc/37/96/91/1316379691.db2.gz QFBKGEWPVLQRCJ-UHFFFAOYSA-N 0 1 343.788 2.864 20 10 EFCDMN CC(C)OC(=O)[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)C(C)C ZINC001261256884 1316399118 /nfs/dbraw/zinc/39/91/18/1316399118.db2.gz XRELKVBGYSUDHE-IBGZPJMESA-N 0 1 347.503 2.504 20 10 EFCDMN C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1c([O-])cccc1Br ZINC001261814132 1316432093 /nfs/dbraw/zinc/43/20/93/1316432093.db2.gz QTIZEMDOIHALHC-IINYFYTJSA-N 0 1 325.250 2.727 20 10 EFCDMN O=C1NN(c2ccccc2)C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-] ZINC000728697500 1320188915 /nfs/dbraw/zinc/18/89/15/1320188915.db2.gz PNDCDWRVNYGAPE-KVDBUQHUSA-N 0 1 335.319 2.612 20 10 EFCDMN COC(=O)CC(C)(C)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC001319948565 1329041642 /nfs/dbraw/zinc/04/16/42/1329041642.db2.gz PBOLUQFPXFCZMJ-UHFFFAOYSA-N 0 1 330.222 2.928 20 10 EFCDMN COC(=O)CC(C)(C)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC001319948565 1329041646 /nfs/dbraw/zinc/04/16/46/1329041646.db2.gz PBOLUQFPXFCZMJ-UHFFFAOYSA-N 0 1 330.222 2.928 20 10 EFCDMN Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2c([O-])cccc2Cl)cn1 ZINC001319971989 1329047065 /nfs/dbraw/zinc/04/70/65/1329047065.db2.gz CPPVXKCPKUDDTP-CXAGYDPISA-N 0 1 335.835 2.867 20 10 EFCDMN Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2c([O-])cccc2Cl)cn1 ZINC001319971989 1329047071 /nfs/dbraw/zinc/04/70/71/1329047071.db2.gz CPPVXKCPKUDDTP-CXAGYDPISA-N 0 1 335.835 2.867 20 10 EFCDMN Cc1cccnc1CNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001320104583 1329079854 /nfs/dbraw/zinc/07/98/54/1329079854.db2.gz YUFAWOWHGWWMKV-UHFFFAOYSA-N 0 1 329.419 2.780 20 10 EFCDMN CN1CCN(c2ccc(C[NH2+]CC3(C(=O)[O-])CCCCC3)cc2)CC1 ZINC000901783292 1324756710 /nfs/dbraw/zinc/75/67/10/1324756710.db2.gz JDZGBNCMNZMBTK-UHFFFAOYSA-N 0 1 345.487 2.563 20 10 EFCDMN CC(C)CC(=O)N1CCN(Cc2c(O)ccc3ccncc32)CC1 ZINC001317909882 1328439794 /nfs/dbraw/zinc/43/97/94/1328439794.db2.gz DNFCZVXDYJHOKZ-UHFFFAOYSA-N 0 1 327.428 2.631 20 10 EFCDMN C[NH+]1CCN(c2ccc(/C=C/c3ncc(C(=O)[O-])s3)cc2F)CC1 ZINC001318174746 1328512198 /nfs/dbraw/zinc/51/21/98/1328512198.db2.gz ONYKUDNCLSQCLJ-HWKANZROSA-N 0 1 347.415 2.903 20 10 EFCDMN Fc1cc(CNCc2cnn3ccccc23)ccc1N1CCOCC1 ZINC001323696560 1329562562 /nfs/dbraw/zinc/56/25/62/1329562562.db2.gz TZEHPBRGNVPJGZ-UHFFFAOYSA-N 0 1 340.402 2.600 20 10 EFCDMN CN(C)C(=O)O[C@@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001325128860 1329672480 /nfs/dbraw/zinc/67/24/80/1329672480.db2.gz OBLZYXAIDPONNC-GOSISDBHSA-N 0 1 331.460 2.949 20 10 EFCDMN c1cc(N2CCCC2)ccc1CNCc1n[nH]c([C@H]2CCCO2)n1 ZINC001329115722 1330669171 /nfs/dbraw/zinc/66/91/71/1330669171.db2.gz XGVPEOYNXBBNJQ-MRXNPFEDSA-N 0 1 327.432 2.546 20 10 EFCDMN O=C([O-])[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@H]1CCOC2(CCC2)C1 ZINC001333176492 1331088415 /nfs/dbraw/zinc/08/84/15/1331088415.db2.gz RTPSQPNTUAYGLA-HZMBPMFUSA-N 0 1 341.354 2.563 20 10 EFCDMN Cc1cc(F)ncc1CNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001333707355 1331197926 /nfs/dbraw/zinc/19/79/26/1331197926.db2.gz PHCFZVFLXMGEDY-UHFFFAOYSA-N 0 1 347.409 2.919 20 10 EFCDMN O=C(NCc1ccc(N2CCCC2)cc1)c1ccn(-c2ccncc2)n1 ZINC001343784717 1332380277 /nfs/dbraw/zinc/38/02/77/1332380277.db2.gz WDMYFRYYPYNJRZ-UHFFFAOYSA-N 0 1 347.422 2.798 20 10 EFCDMN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000848226297 1334480280 /nfs/dbraw/zinc/48/02/80/1334480280.db2.gz RUNADIWZBNPQOI-GJZGRUSLSA-N 0 1 328.460 2.710 20 10 EFCDMN Cc1ncncc1[C@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000848523561 1334772830 /nfs/dbraw/zinc/77/28/30/1334772830.db2.gz JHYVCXMDBDUFAI-ZDUSSCGKSA-N 0 1 344.434 2.736 20 10 EFCDMN C[C@@H](N[C@@H]1CCCn2ccnc21)c1ccc(N2CCOCC2)cc1 ZINC000848526782 1334775166 /nfs/dbraw/zinc/77/51/66/1334775166.db2.gz HOUZBQDTFOUUOG-CRAIPNDOSA-N 0 1 326.444 2.905 20 10 EFCDMN COc1cc(Br)cc(C[N@@H+](CC(=O)[O-])C2CCC2)c1O ZINC000848640351 1334821487 /nfs/dbraw/zinc/82/14/87/1334821487.db2.gz QLSCRHYXJBLDDQ-UHFFFAOYSA-N 0 1 344.205 2.602 20 10 EFCDMN CCc1cccc(CN(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1O ZINC000848888258 1334963227 /nfs/dbraw/zinc/96/32/27/1334963227.db2.gz PZOXEKAJZVWKOZ-HZPDHXFCSA-N 0 1 325.474 2.742 20 10 EFCDMN COCC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H](O)C(F)(F)F ZINC000848921432 1334987408 /nfs/dbraw/zinc/98/74/08/1334987408.db2.gz BAALNJSQSFINHF-LLVKDONJSA-N 0 1 345.720 2.556 20 10 EFCDMN COc1c(O)c(C[N@H+]2CCC[C@@H](OC3CCC3)C2)ccc1[N+](=O)[O-] ZINC000848925159 1334991132 /nfs/dbraw/zinc/99/11/32/1334991132.db2.gz PATLTIDVPOGMMY-CQSZACIVSA-N 0 1 336.388 2.843 20 10 EFCDMN COc1c([O-])c(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)ccc1[N+](=O)[O-] ZINC000848925159 1334991134 /nfs/dbraw/zinc/99/11/34/1334991134.db2.gz PATLTIDVPOGMMY-CQSZACIVSA-N 0 1 336.388 2.843 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H](OC3CCC3)C2)ccc1[N+](=O)[O-] ZINC000848925159 1334991136 /nfs/dbraw/zinc/99/11/36/1334991136.db2.gz PATLTIDVPOGMMY-CQSZACIVSA-N 0 1 336.388 2.843 20 10 EFCDMN COc1ccc2c(c1)C[N@@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC000848926094 1334991807 /nfs/dbraw/zinc/99/18/07/1334991807.db2.gz QPRVONLXEFNFCP-UHFFFAOYSA-N 0 1 337.467 2.963 20 10 EFCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000848929797 1334993743 /nfs/dbraw/zinc/99/37/43/1334993743.db2.gz IPQZNYCXXGVFPF-AWEZNQCLSA-N 0 1 342.842 2.871 20 10 EFCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000848929798 1334993942 /nfs/dbraw/zinc/99/39/42/1334993942.db2.gz IPQZNYCXXGVFPF-CQSZACIVSA-N 0 1 342.842 2.871 20 10 EFCDMN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccccc1O ZINC000849369768 1335600824 /nfs/dbraw/zinc/60/08/24/1335600824.db2.gz GEPOPSUYEWAUMR-UHFFFAOYSA-N 0 1 334.441 2.669 20 10 EFCDMN CCOc1ccc(O)c(C[N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825643989 1425703741 /nfs/dbraw/zinc/70/37/41/1425703741.db2.gz ZGJOUUUUYRGGND-UHFFFAOYSA-N 0 1 339.399 2.603 20 10 EFCDMN CCN(CC)c1ccc(C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000825415680 1430003961 /nfs/dbraw/zinc/00/39/61/1430003961.db2.gz DOBAPZCWMXGDSM-UHFFFAOYSA-N 0 1 340.431 2.938 20 10 EFCDMN Oc1c(F)cccc1C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826510955 1441916766 /nfs/dbraw/zinc/91/67/66/1441916766.db2.gz UDSYYROXYQNHFB-UHFFFAOYSA-N 0 1 339.374 2.876 20 10 EFCDMN Oc1c(F)cccc1C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826510955 1441916768 /nfs/dbraw/zinc/91/67/68/1441916768.db2.gz UDSYYROXYQNHFB-UHFFFAOYSA-N 0 1 339.374 2.876 20 10 EFCDMN C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824617413 1443623662 /nfs/dbraw/zinc/62/36/62/1443623662.db2.gz HOGJKMSIQGGKOL-LLVKDONJSA-N 0 1 339.374 2.792 20 10 EFCDMN Oc1c(Br)cccc1CN1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246833906 712903260 /nfs/dbraw/zinc/90/32/60/712903260.db2.gz RSBQQOPCQKQDQG-KGLIPLIRSA-N 0 1 342.233 2.535 20 10 EFCDMN CC[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cc(Cl)ccc1[O-] ZINC000806174342 713440491 /nfs/dbraw/zinc/44/04/91/713440491.db2.gz VQNROCZNVOBYTR-SMDDNHRTSA-N 0 1 331.865 2.911 20 10 EFCDMN CN(CCNC(=O)N(C)Cc1ccccc1O)Cc1ccc(F)cc1 ZINC000175941291 714135145 /nfs/dbraw/zinc/13/51/45/714135145.db2.gz HYNFESAFRZCYRA-UHFFFAOYSA-N 0 1 345.418 2.805 20 10 EFCDMN CN(C)c1ccc([C@@H](CNC(=O)c2csc(C=O)c2)N(C)C)cc1 ZINC000891251862 714145494 /nfs/dbraw/zinc/14/54/94/714145494.db2.gz HQKXAVNKBRIAAG-QGZVFWFLSA-N 0 1 345.468 2.659 20 10 EFCDMN COC(=O)CC[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])CC(C)C ZINC000177269487 717965793 /nfs/dbraw/zinc/96/57/93/717965793.db2.gz VWLRLDWQDFPFAS-UHFFFAOYSA-N 0 1 325.380 2.755 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)NC3(C)CCC3)cc2F)CC1 ZINC000160930393 714638547 /nfs/dbraw/zinc/63/85/47/714638547.db2.gz LEVQRWHYQZHTCG-UHFFFAOYSA-N 0 1 348.466 2.709 20 10 EFCDMN COc1ccc(CN2CCC[C@@H](OCC(F)(F)F)C2)c(O)c1OC ZINC000891700555 714960627 /nfs/dbraw/zinc/96/06/27/714960627.db2.gz ZZAZFCFYBAIYMX-GFCCVEGCSA-N 0 1 349.349 2.953 20 10 EFCDMN COc1ccc(CN2CCC([C@@H](O)C(F)(F)F)CC2)c(O)c1OC ZINC000892141781 715272375 /nfs/dbraw/zinc/27/23/75/715272375.db2.gz VYJBXXSPSSADGC-OAHLLOKOSA-N 0 1 349.349 2.545 20 10 EFCDMN O=C(NCc1c(O)ccc2c1CCCC2)c1cccc(-c2nnc[nH]2)c1 ZINC000158755904 715728781 /nfs/dbraw/zinc/72/87/81/715728781.db2.gz MBTMLOYEEZSBJQ-UHFFFAOYSA-N 0 1 348.406 2.986 20 10 EFCDMN N[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 ZINC000178715221 715914146 /nfs/dbraw/zinc/91/41/46/715914146.db2.gz SYUODKBRZKZWBU-SFHVURJKSA-N 0 1 341.480 2.556 20 10 EFCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000724838963 716169464 /nfs/dbraw/zinc/16/94/64/716169464.db2.gz KGMBBOBOXLUIHQ-RNCFNFMXSA-N 0 1 330.197 2.905 20 10 EFCDMN CCC(CC)NC(=O)[C@H](C)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466731 716197559 /nfs/dbraw/zinc/19/75/59/716197559.db2.gz RVCHYLNETLYNJD-INIZCTEOSA-N 0 1 347.503 2.901 20 10 EFCDMN CCN1CCN(c2ccc(CN[C@@H](C)c3ncc[nH]3)cc2F)CC1 ZINC000286323585 717139894 /nfs/dbraw/zinc/13/98/94/717139894.db2.gz XRUYFBSDSLFVDP-AWEZNQCLSA-N 0 1 331.439 2.542 20 10 EFCDMN CN1CCN(c2ccc(CNC(=O)/C=C/C3CCCC3)cc2)CC1 ZINC000893607359 717359227 /nfs/dbraw/zinc/35/92/27/717359227.db2.gz GUWUFGMPXLMRTK-DHZHZOJOSA-N 0 1 327.472 2.801 20 10 EFCDMN COc1ccc(N2CCCN(C(=O)[C@H]3CCN3C(C)(C)C)CC2)cc1 ZINC000895809446 724320288 /nfs/dbraw/zinc/32/02/88/724320288.db2.gz KMCVSJZDPCSIRI-GOSISDBHSA-N 0 1 345.487 2.607 20 10 EFCDMN CCCN(Cc1cc2c(cc1O)CCCC2)[C@H]1CCS(=O)(=O)C1 ZINC000179435372 717462337 /nfs/dbraw/zinc/46/23/37/717462337.db2.gz UZJFSXYEXHAHDY-KRWDZBQOSA-N 0 1 337.485 2.670 20 10 EFCDMN CN(C)c1ccc(CN(C)C(=O)CN2CCSC(C)(C)C2)cc1 ZINC000177511504 718070119 /nfs/dbraw/zinc/07/01/19/718070119.db2.gz HUQSSEBXWWKZDA-UHFFFAOYSA-N 0 1 335.517 2.538 20 10 EFCDMN Cc1ccc(C(=O)NC[C@@H](C)N2CCc3ccccc3C2)c(O)c1O ZINC000177676747 718158466 /nfs/dbraw/zinc/15/84/66/718158466.db2.gz ILMILPJCNDVNIR-CQSZACIVSA-N 0 1 340.423 2.583 20 10 EFCDMN Cc1ccc([C@H](CNC(=O)c2ccc(C)c(O)c2O)N2CCCC2)o1 ZINC000177678892 718159110 /nfs/dbraw/zinc/15/91/10/718159110.db2.gz XYSLJUKOCZKEQK-HNNXBMFYSA-N 0 1 344.411 2.875 20 10 EFCDMN CCCOc1ncccc1CNCc1ccc(OC)c(OC)c1O ZINC000892723139 719030825 /nfs/dbraw/zinc/03/08/25/719030825.db2.gz HQSCJCVRGHOKLI-UHFFFAOYSA-N 0 1 332.400 2.883 20 10 EFCDMN COCCOc1ccc(CNCc2ccc3c(c2)CCCN3C)o1 ZINC000892734491 719075220 /nfs/dbraw/zinc/07/52/20/719075220.db2.gz ZUXKEQMAFPZRQH-UHFFFAOYSA-N 0 1 330.428 2.977 20 10 EFCDMN COC(=O)CC[N@@H+](Cc1c([O-])cccc1Cl)C[C@@H]1CCCO1 ZINC000127299763 724570668 /nfs/dbraw/zinc/57/06/68/724570668.db2.gz WYMRYHIGODAHQI-LBPRGKRZSA-N 0 1 327.808 2.590 20 10 EFCDMN COC(=O)CC[N@H+](Cc1c([O-])cccc1Cl)C[C@@H]1CCCO1 ZINC000127299763 724570670 /nfs/dbraw/zinc/57/06/70/724570670.db2.gz WYMRYHIGODAHQI-LBPRGKRZSA-N 0 1 327.808 2.590 20 10 EFCDMN COC(=O)C1CC[NH+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000893878479 720138771 /nfs/dbraw/zinc/13/87/71/720138771.db2.gz WXUHLBJUAUCFJM-UHFFFAOYSA-N 0 1 346.196 2.679 20 10 EFCDMN COC(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000893917056 720159445 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Cc1ccc(C(=O)N2CCN(Cc3cc(F)cc(F)c3O)CC2)cc1 ZINC000894423021 722732430 /nfs/dbraw/zinc/73/24/30/722732430.db2.gz NEJKXHSTBKCEGV-UHFFFAOYSA-N 0 1 346.377 2.937 20 10 EFCDMN Oc1c(F)cc(Br)cc1CN1CCCC2(C1)OCCO2 ZINC000894424755 722732920 /nfs/dbraw/zinc/73/29/20/722732920.db2.gz MDPKCECSSPNCPP-UHFFFAOYSA-N 0 1 346.196 2.633 20 10 EFCDMN C[N@@H+](CCc1cnccn1)Cc1cc(Br)cc(F)c1[O-] ZINC000894425001 722733073 /nfs/dbraw/zinc/73/30/73/722733073.db2.gz PNXMVPXAJDPLSM-UHFFFAOYSA-N 0 1 340.196 2.758 20 10 EFCDMN COc1cc(C)cc(CN[C@H](CS(C)(=O)=O)c2ccccc2)c1O ZINC000894472578 722746504 /nfs/dbraw/zinc/74/65/04/722746504.db2.gz YWVJLJBYFRPICT-MRXNPFEDSA-N 0 1 349.452 2.585 20 10 EFCDMN O=C1OCC[C@]12CCCN2Cc1cc(Br)cc(F)c1O ZINC000894496690 722759889 /nfs/dbraw/zinc/75/98/89/722759889.db2.gz DWVKQJHENNMHLE-CQSZACIVSA-N 0 1 344.180 2.575 20 10 EFCDMN COC[C@@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@@H](C)O1 ZINC000894535052 722774854 /nfs/dbraw/zinc/77/48/54/722774854.db2.gz WJOLIVBOLPWCNN-SKDRFNHKSA-N 0 1 348.212 2.530 20 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CC(=O)c1cc(Cl)cc(C[N@@H+](C)C[C@H]2CCN(C(C)=O)C2)c1[O-] ZINC000156717727 727966967 /nfs/dbraw/zinc/96/69/67/727966967.db2.gz QSAGPAZJHILZAQ-CYBMUJFWSA-N 0 1 338.835 2.548 20 10 EFCDMN COCCOCCCC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000227442812 728333128 /nfs/dbraw/zinc/33/31/28/728333128.db2.gz UOTOSSKPOQAINT-UHFFFAOYSA-N 0 1 332.238 2.688 20 10 EFCDMN CC[C@H]([NH2+]CCN(C)CCOC)c1cc(Br)ccc1[O-] ZINC000061375535 728515219 /nfs/dbraw/zinc/51/52/19/728515219.db2.gz WECIDWVQGGWOIL-AWEZNQCLSA-N 0 1 345.281 2.774 20 10 EFCDMN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccccc1O ZINC000179552833 729591321 /nfs/dbraw/zinc/59/13/21/729591321.db2.gz VDMIRSWJENMKCY-UHFFFAOYSA-N 0 1 341.411 2.811 20 10 EFCDMN C[C@@H](C(=O)[O-])[N@H+](Cc1cc(Br)cc(F)c1O)C1CC1 ZINC001602819688 971619505 /nfs/dbraw/zinc/61/95/05/971619505.db2.gz CYOSGCDOWPWBSW-ZETCQYMHSA-N 0 1 332.169 2.731 20 10 EFCDMN C[C@@H](C(=O)[O-])[N@@H+](Cc1cc(Br)cc(F)c1O)C1CC1 ZINC001602819688 971619507 /nfs/dbraw/zinc/61/95/07/971619507.db2.gz CYOSGCDOWPWBSW-ZETCQYMHSA-N 0 1 332.169 2.731 20 10 EFCDMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1ccc(N2CCC(O)CC2)cc1 ZINC001602867322 971728687 /nfs/dbraw/zinc/72/86/87/971728687.db2.gz GWWNDPFNHFGHNW-UHFFFAOYSA-N 0 1 334.460 2.580 20 10 EFCDMN Cc1cc(Br)c(O)c(C[N@@H+](CC(=O)[O-])CC2CC2)c1 ZINC000844934789 955682821 /nfs/dbraw/zinc/68/28/21/955682821.db2.gz FKTYUPBPOAZMQX-UHFFFAOYSA-N 0 1 328.206 2.760 20 10 EFCDMN Cc1cc(Br)c(O)c(C[N@H+](CC(=O)[O-])CC2CC2)c1 ZINC000844934789 955682828 /nfs/dbraw/zinc/68/28/28/955682828.db2.gz FKTYUPBPOAZMQX-UHFFFAOYSA-N 0 1 328.206 2.760 20 10 EFCDMN COC1CCN(c2ccc(C[N@H+]3CCCC[C@H]3C(=O)[O-])cc2)CC1 ZINC000846226319 955700196 /nfs/dbraw/zinc/70/01/96/955700196.db2.gz WNQUCOFFHBZFBM-SFHVURJKSA-N 0 1 332.444 2.741 20 10 EFCDMN Cc1cc(Br)c(O)c(C[NH2+]C[C@@H](C(=O)[O-])C(C)C)c1 ZINC000848640107 955774225 /nfs/dbraw/zinc/77/42/25/955774225.db2.gz NLGIZZDGJHKDBF-LLVKDONJSA-N 0 1 330.222 2.910 20 10 EFCDMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@@H+]1Cc1cc(Br)cc(F)c1O ZINC000715758603 977781283 /nfs/dbraw/zinc/78/12/83/977781283.db2.gz DDQLUTVQWJVSSP-XCBNKYQSSA-N 0 1 332.169 2.589 20 10 EFCDMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cc(Br)cc(F)c1O ZINC000715758603 977781289 /nfs/dbraw/zinc/78/12/89/977781289.db2.gz DDQLUTVQWJVSSP-XCBNKYQSSA-N 0 1 332.169 2.589 20 10 EFCDMN Cc1cc(Br)cc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)c1O ZINC000840997378 979298905 /nfs/dbraw/zinc/29/89/05/979298905.db2.gz AIINDJDKJUTPGF-JTQLQIEISA-N 0 1 328.206 2.760 20 10 EFCDMN COC1CCN(c2ccc(C[N@@H+](CCC(=O)[O-])C(C)C)cc2)CC1 ZINC000846269996 979435430 /nfs/dbraw/zinc/43/54/30/979435430.db2.gz RBNASNMPRPITNL-UHFFFAOYSA-N 0 1 334.460 2.987 20 10 EFCDMN CN(C)c1ccc(C[N@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc1F ZINC000901787547 980517904 /nfs/dbraw/zinc/51/79/04/980517904.db2.gz BHZZPBHMRXBKTC-AWEZNQCLSA-N 0 1 334.313 2.731 20 10 EFCDMN O=C([O-])C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C1CCOCC1 ZINC000901983300 980662783 /nfs/dbraw/zinc/66/27/83/980662783.db2.gz DEUCBRXQGULUCI-UHFFFAOYSA-N 0 1 332.444 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CCc1ncc(F)c(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC001167431391 1101616160 /nfs/dbraw/zinc/61/61/60/1101616160.db2.gz XIRLOIGXSNBELJ-UHFFFAOYSA-N 0 1 329.423 2.542 20 10 EFCDMN Cc1nc(C)c(NCc2ccc(N3CCN(C)CC3)cc2)nc1C ZINC001167431237 1101616417 /nfs/dbraw/zinc/61/64/17/1101616417.db2.gz NUIUWFFGGFDRHX-UHFFFAOYSA-N 0 1 325.460 2.766 20 10 EFCDMN COc1cc(NCc2ccc(N3CCN(C)CC3)cc2)c(F)cn1 ZINC001167434868 1101663851 /nfs/dbraw/zinc/66/38/51/1101663851.db2.gz XCLPUAWSHZFOSZ-UHFFFAOYSA-N 0 1 330.407 2.593 20 10 EFCDMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCCc2ccc(N)cc2)n[nH]1 ZINC000841959342 1106047486 /nfs/dbraw/zinc/04/74/86/1106047486.db2.gz MKPGQMHSESKSEK-RYUDHWBXSA-N 0 1 330.436 2.503 20 10 EFCDMN COC(=O)[C@@H]1CCCCN1Cc1c(O)cc(Br)cc1F ZINC001233027947 1107547568 /nfs/dbraw/zinc/54/75/68/1107547568.db2.gz GQVVHXXKSVBPQZ-LBPRGKRZSA-N 0 1 346.196 2.821 20 10 EFCDMN COc1cc(O)c(C[N@H+]2CCC[C@@H]2C(C)(C)O)cc1Br ZINC001233142296 1107658687 /nfs/dbraw/zinc/65/86/87/1107658687.db2.gz QFKWNMLZBIIECK-CQSZACIVSA-N 0 1 344.249 2.899 20 10 EFCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]2C(C)(C)O)cc1Br ZINC001233142296 1107658691 /nfs/dbraw/zinc/65/86/91/1107658691.db2.gz QFKWNMLZBIIECK-CQSZACIVSA-N 0 1 344.249 2.899 20 10 EFCDMN COc1cc([O-])c(C[N@H+]2CCC[C@@H]2C(C)(C)O)cc1Br ZINC001233142296 1107658693 /nfs/dbraw/zinc/65/86/93/1107658693.db2.gz QFKWNMLZBIIECK-CQSZACIVSA-N 0 1 344.249 2.899 20 10 EFCDMN COc1cc(O)c(CN2CCC[C@@]23CCOC3)cc1Br ZINC001233142520 1107660447 /nfs/dbraw/zinc/66/04/47/1107660447.db2.gz TUZVKIKAODFFGV-HNNXBMFYSA-N 0 1 342.233 2.918 20 10 EFCDMN Oc1c(Br)cccc1CN1CCO[C@H](C(F)(F)F)C1 ZINC000698953033 1108408588 /nfs/dbraw/zinc/40/85/88/1108408588.db2.gz ITSWKGYTHWAIOY-JTQLQIEISA-N 0 1 340.139 2.918 20 10 EFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H]1Cc2ccccc2[C@@H]1O ZINC000898385748 1108909177 /nfs/dbraw/zinc/90/91/77/1108909177.db2.gz OSNZBDUKQPICRL-HOCLYGCPSA-N 0 1 334.213 2.903 20 10 EFCDMN O=C1CN(Cc2cc(Br)cc(F)c2O)CCC[C@H]1F ZINC001235056708 1111602774 /nfs/dbraw/zinc/60/27/74/1111602774.db2.gz CIBRAIRHEBSOHO-SNVBAGLBSA-N 0 1 334.160 2.797 20 10 EFCDMN C[C@@H]1C[N@@H+](Cc2cc(Br)cc(F)c2[O-])CC[C@@]1(C)O ZINC001235057352 1111606455 /nfs/dbraw/zinc/60/64/55/1111606455.db2.gz MBYGNBFKVYRCFM-YMTOWFKASA-N 0 1 332.213 2.887 20 10 EFCDMN [O-]c1c(Br)cc(F)cc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC001235294472 1111720534 /nfs/dbraw/zinc/72/05/34/1111720534.db2.gz OPRGTUJDAWFWSI-CQSZACIVSA-N 0 1 330.197 2.906 20 10 EFCDMN CC(C)CN1CC[C@@]2(CCC[N@H+]2Cc2c([O-])cc(F)cc2F)C1=O ZINC001272616062 1111748015 /nfs/dbraw/zinc/74/80/15/1111748015.db2.gz GOYFIRXOXXOOKJ-SFHVURJKSA-N 0 1 338.398 2.893 20 10 EFCDMN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2c([O-])cc(F)cc2F)N1CC(F)F ZINC001272616255 1111748855 /nfs/dbraw/zinc/74/88/55/1111748855.db2.gz HOQVOVPDROBITE-CHWSQXEVSA-N 0 1 346.324 2.501 20 10 EFCDMN COc1cccc(C[N@H+]2CCC[C@]23CCN(CC=C(C)C)C3=O)c1O ZINC001272625091 1111765225 /nfs/dbraw/zinc/76/52/25/1111765225.db2.gz HKYUFLVADYAFDL-HXUWFJFHSA-N 0 1 344.455 2.934 20 10 EFCDMN CO[C@@H]1CCN(Cc2cc(O)c(Br)cc2O)[C@@H](C)C1 ZINC001236763811 1117924937 /nfs/dbraw/zinc/92/49/37/1117924937.db2.gz CMRVSUQTCFLCST-GXSJLCMTSA-N 0 1 330.222 2.860 20 10 EFCDMN CCN1CCN(c2ccc(CN[C@H](C)c3nccn3C)cc2F)CC1 ZINC000182885771 1118670069 /nfs/dbraw/zinc/67/00/69/1118670069.db2.gz PWNPWFLDAWTLHD-OAHLLOKOSA-N 0 1 345.466 2.552 20 10 EFCDMN CC[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCS1 ZINC000174356361 529385438 /nfs/dbraw/zinc/38/54/38/529385438.db2.gz MZIKREVRNSBHKJ-QGZVFWFLSA-N 0 1 335.517 2.538 20 10 EFCDMN CCc1[nH]nc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)c1[N+](=O)[O-] ZINC000170686040 529466063 /nfs/dbraw/zinc/46/60/63/529466063.db2.gz WZSJYIOPNAPZFQ-UHFFFAOYSA-N 0 1 345.403 2.609 20 10 EFCDMN CC[C@H]([NH2+]CCCOCCO)c1cc(Br)ccc1[O-] ZINC000157923143 529599531 /nfs/dbraw/zinc/59/95/31/529599531.db2.gz NNJKTVZJDMNYMD-ZDUSSCGKSA-N 0 1 332.238 2.594 20 10 EFCDMN CCOc1ccc(O)c(CN2CCN(c3ccccc3O)CC2)c1 ZINC000158552796 239012579 /nfs/dbraw/zinc/01/25/79/239012579.db2.gz KTWWMLNGJQELEX-UHFFFAOYSA-N 0 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WYEKZQBPFHDDET-UHFFFAOYSA-N 0 1 329.404 2.510 20 10 EFCDMN CC[N@H+](CCc1cncn1C)Cc1cc(Br)ccc1[O-] ZINC000297865979 241135009 /nfs/dbraw/zinc/13/50/09/241135009.db2.gz PMOZEHSEZGVHRG-UHFFFAOYSA-N 0 1 338.249 2.953 20 10 EFCDMN CC[N@@H+](CCc1cncn1C)Cc1cc(Br)ccc1[O-] ZINC000297865979 241135013 /nfs/dbraw/zinc/13/50/13/241135013.db2.gz PMOZEHSEZGVHRG-UHFFFAOYSA-N 0 1 338.249 2.953 20 10 EFCDMN CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1cccc(Cl)c1O ZINC000362043758 242241094 /nfs/dbraw/zinc/24/10/94/242241094.db2.gz XQWPZWIZUVFUJW-INIZCTEOSA-N 0 1 330.815 2.719 20 10 EFCDMN CC(C)OCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000363713147 242279463 /nfs/dbraw/zinc/27/94/63/242279463.db2.gz DMYVREZMABTQMK-OAHLLOKOSA-N 0 1 340.851 2.551 20 10 EFCDMN CN(C)c1ccc(CN[C@H](c2nnc[nH]2)c2ccccc2)cc1F ZINC000372928728 242459272 /nfs/dbraw/zinc/45/92/72/242459272.db2.gz XNVWRHPDGSNPRI-KRWDZBQOSA-N 0 1 325.391 2.889 20 10 EFCDMN CC[C@H]([NH2+][C@H](C)C[S@](C)=O)c1cc(Br)ccc1[O-] ZINC000119174685 221258858 /nfs/dbraw/zinc/25/88/58/221258858.db2.gz BSYXDILSKIPLNI-RJVCPDIVSA-N 0 1 334.279 2.962 20 10 EFCDMN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1cnn(C)c1 ZINC000163944500 533503122 /nfs/dbraw/zinc/50/31/22/533503122.db2.gz JQRKEGUUPPKJIC-UONOGXRCSA-N 0 1 332.423 2.808 20 10 EFCDMN COc1ccc(OC)c([C@H](O)C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000113318488 544568923 /nfs/dbraw/zinc/56/89/23/544568923.db2.gz GQAYGSRWIIOZCS-MRXNPFEDSA-N 0 1 337.803 2.886 20 10 EFCDMN Cc1cc(O)c(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1C ZINC000295997277 274720535 /nfs/dbraw/zinc/72/05/35/274720535.db2.gz LJTNCEGWVLTXMY-UHFFFAOYSA-N 0 1 342.399 2.634 20 10 EFCDMN COc1cc(Br)cc(CN2CCOC[C@H](C)C2)c1O ZINC000370187092 277367139 /nfs/dbraw/zinc/36/71/39/277367139.db2.gz VUEHXEPCHZPQJE-SNVBAGLBSA-N 0 1 330.222 2.632 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1O ZINC000248510647 278244191 /nfs/dbraw/zinc/24/41/91/278244191.db2.gz AJDMOPQRHHCDHQ-XZJROXQQSA-N 0 1 335.375 2.952 20 10 EFCDMN CC[C@H]([NH2+][C@H](C)c1ccc2ccccc2c1[O-])C(=O)N1CCOCC1 ZINC000185665090 280969032 /nfs/dbraw/zinc/96/90/32/280969032.db2.gz QDRBYWMXNUBDTN-KDOFPFPSSA-N 0 1 342.439 2.833 20 10 EFCDMN c1cnc(N2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)nc1 ZINC000112142983 473243017 /nfs/dbraw/zinc/24/30/17/473243017.db2.gz IPGIVGGTYDYPML-UHFFFAOYSA-N 0 1 337.471 2.789 20 10 EFCDMN CCOCCOCC[N@@H+](C)Cc1cc(Br)ccc1O ZINC000191569116 473554798 /nfs/dbraw/zinc/55/47/98/473554798.db2.gz REUYYSZIAUZCAG-UHFFFAOYSA-N 0 1 332.238 2.640 20 10 EFCDMN CCOCCOCC[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000191569116 473554806 /nfs/dbraw/zinc/55/48/06/473554806.db2.gz REUYYSZIAUZCAG-UHFFFAOYSA-N 0 1 332.238 2.640 20 10 EFCDMN CCOCCOCC[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000191569116 473554812 /nfs/dbraw/zinc/55/48/12/473554812.db2.gz REUYYSZIAUZCAG-UHFFFAOYSA-N 0 1 332.238 2.640 20 10 EFCDMN Cc1cc(O)c(CN2CCC[C@@H]2C(=O)NCc2ccco2)cc1C ZINC000128179134 472414467 /nfs/dbraw/zinc/41/44/67/472414467.db2.gz SLAUGHULBKXEII-QGZVFWFLSA-N 0 1 328.412 2.883 20 10 EFCDMN CCN1CCN(c2ccc(CNc3nnc(C)s3)cc2F)CC1 ZINC000077218552 472478265 /nfs/dbraw/zinc/47/82/65/472478265.db2.gz UXOZZGSFINPPBE-UHFFFAOYSA-N 0 1 335.452 2.740 20 10 EFCDMN CCCN(CCC)C(=O)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000071004497 472532387 /nfs/dbraw/zinc/53/23/87/472532387.db2.gz IFLAQQZNLMZTMH-UHFFFAOYSA-N 0 1 347.503 2.604 20 10 EFCDMN COc1cccc(CN2CCN(c3ccc(Cl)cn3)CC2)c1O ZINC000130296625 472595674 /nfs/dbraw/zinc/59/56/74/472595674.db2.gz HGBLDGUCCULUIC-UHFFFAOYSA-N 0 1 333.819 2.771 20 10 EFCDMN CN1CCN(c2ccc(NCc3c(O)cccc3Cl)nc2)CC1 ZINC000131539031 472676650 /nfs/dbraw/zinc/67/66/50/472676650.db2.gz PZVICXZEWUVQHY-UHFFFAOYSA-N 0 1 332.835 2.805 20 10 EFCDMN O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)N1CCCCCC1 ZINC000072952765 472745595 /nfs/dbraw/zinc/74/55/95/472745595.db2.gz YQEAUGYNLXPZMB-SFHVURJKSA-N 0 1 346.471 2.776 20 10 EFCDMN CCOc1ccc(O)c(C[N@@H+](C)Cc2ccc(C(=O)NC)cc2)c1 ZINC000121176237 472811981 /nfs/dbraw/zinc/81/19/81/472811981.db2.gz OUIHREBVGLJQHQ-UHFFFAOYSA-N 0 1 328.412 2.783 20 10 EFCDMN COc1ccc(N2CCN(Cc3cccc(OC)c3O)CC2)cc1F ZINC000091923403 472826821 /nfs/dbraw/zinc/82/68/21/472826821.db2.gz SOAIOVIRGWRHIW-UHFFFAOYSA-N 0 1 346.402 2.871 20 10 EFCDMN CCOCCO[C@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC000092067266 472851548 /nfs/dbraw/zinc/85/15/48/472851548.db2.gz KZPYEIZKMTUXPE-AWEZNQCLSA-N 0 1 344.249 2.782 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)c3ccc(C)o3)cc2F)CC1 ZINC000106702124 472882649 /nfs/dbraw/zinc/88/26/49/472882649.db2.gz JJANNVSYYXAMOU-UHFFFAOYSA-N 0 1 345.418 2.799 20 10 EFCDMN CCO[C@H](C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000158038851 472885899 /nfs/dbraw/zinc/88/58/99/472885899.db2.gz JLLISBMWBXKGOZ-IUODEOHRSA-N 0 1 340.851 2.551 20 10 EFCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccccn1 ZINC000158110920 472893179 /nfs/dbraw/zinc/89/31/79/472893179.db2.gz WXHGGRVWTRFXFR-HNNXBMFYSA-N 0 1 345.830 2.835 20 10 EFCDMN Cc1ccc(O)c(CN2CCN(C(=O)Cc3ccccc3F)CC2)c1 ZINC000092535869 472930899 /nfs/dbraw/zinc/93/08/99/472930899.db2.gz OWDDXIGLKJVSQL-UHFFFAOYSA-N 0 1 342.414 2.727 20 10 EFCDMN COc1ccc(N2CCCN(CC(=O)N3CCCC[C@@H]3C)CC2)cc1 ZINC000052466191 473110310 /nfs/dbraw/zinc/11/03/10/473110310.db2.gz YLZMNWICSZIGQZ-KRWDZBQOSA-N 0 1 345.487 2.608 20 10 EFCDMN CCCOc1ccc(CNC(=O)CN(C)Cc2ccccc2O)cc1 ZINC000109769085 473119913 /nfs/dbraw/zinc/11/99/13/473119913.db2.gz LKRMRGZVYVJIFA-UHFFFAOYSA-N 0 1 342.439 2.929 20 10 EFCDMN COc1cccc(CN2CCN(c3nc(C)c(C)s3)CC2)c1O ZINC000093688991 473134731 /nfs/dbraw/zinc/13/47/31/473134731.db2.gz LVTWHUPTRREUNK-UHFFFAOYSA-N 0 1 333.457 2.796 20 10 EFCDMN COc1ccc(N2CCCN(C(=O)c3ccc(F)cc3O)CC2)cc1 ZINC000123483883 473146135 /nfs/dbraw/zinc/14/61/35/473146135.db2.gz WTOCBLKKRCMZMK-UHFFFAOYSA-N 0 1 344.386 2.892 20 10 EFCDMN C[C@H]([NH2+]CCSCCCO)c1ccc(Br)cc1[O-] ZINC000185379081 473410126 /nfs/dbraw/zinc/41/01/26/473410126.db2.gz JVFYADIWHQHPCK-JTQLQIEISA-N 0 1 334.279 2.921 20 10 EFCDMN C[C@@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000185672943 473485463 /nfs/dbraw/zinc/48/54/63/473485463.db2.gz CVYSVSYSTVMFTB-GMXVVIOVSA-N 0 1 344.249 2.999 20 10 EFCDMN CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(Br)ccc2[O-])C1 ZINC000185787186 473514146 /nfs/dbraw/zinc/51/41/46/473514146.db2.gz SGOCQDRZABMUJL-JQWIXIFHSA-N 0 1 341.249 2.816 20 10 EFCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000191316134 473526694 /nfs/dbraw/zinc/52/66/94/473526694.db2.gz VRBHBSKKGGJYST-CYBMUJFWSA-N 0 1 342.842 2.729 20 10 EFCDMN Cn1ccnc1[C@H](O)C1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000127118914 473578428 /nfs/dbraw/zinc/57/84/28/473578428.db2.gz NMAMNJWKRUILRZ-MRXNPFEDSA-N 0 1 335.835 2.725 20 10 EFCDMN Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3cc(Cl)ccc3[O-])C2=O)n(C)n1 ZINC000186083050 473587192 /nfs/dbraw/zinc/58/71/92/473587192.db2.gz RCUWAQXPWJRCFK-SMDDNHRTSA-N 0 1 348.834 2.544 20 10 EFCDMN Cc1cc(CC(=O)NCc2ccc(N3CCC(C)CC3)cc2)[nH]n1 ZINC000153135507 473609658 /nfs/dbraw/zinc/60/96/58/473609658.db2.gz AAKNJZUIQAGPJD-UHFFFAOYSA-N 0 1 326.444 2.813 20 10 EFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c1[O-] ZINC000179368633 473680869 /nfs/dbraw/zinc/68/08/69/473680869.db2.gz ZGDMRUMXCSTYQZ-SNVBAGLBSA-N 0 1 342.779 2.539 20 10 EFCDMN COc1ccc2c(c1)nc(CNCc1cc(OC)ccc1O)n2C ZINC000186554516 473689441 /nfs/dbraw/zinc/68/94/41/473689441.db2.gz RNCWOWPGUZTOCV-UHFFFAOYSA-N 0 1 327.384 2.586 20 10 EFCDMN O=C(Cc1c[nH]c2ccccc12)N1CCN(Cc2ccccc2O)CC1 ZINC000179561639 473694531 /nfs/dbraw/zinc/69/45/31/473694531.db2.gz ZRCVAJZJXCWNIE-UHFFFAOYSA-N 0 1 349.434 2.760 20 10 EFCDMN CCCCN(Cc1cccc(OCC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179612778 473698458 /nfs/dbraw/zinc/69/84/58/473698458.db2.gz XKMLTSZXLOAAPH-OAHLLOKOSA-N 0 1 341.473 2.580 20 10 EFCDMN COc1ccc(OC)c2c1CN(Cc1cccc(C)c1O)C[C@H]2O ZINC000179613939 473698663 /nfs/dbraw/zinc/69/86/63/473698663.db2.gz QSKXNNGESDFMSC-OAHLLOKOSA-N 0 1 329.396 2.767 20 10 EFCDMN COc1ccc(O)c(CN2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000179672710 473707314 /nfs/dbraw/zinc/70/73/14/473707314.db2.gz JKKUIBPTARHFSX-UHFFFAOYSA-N 0 1 336.432 2.844 20 10 EFCDMN COc1ccc(O)c(CN2CCCN(C(=O)c3ccccc3)CC2)c1 ZINC000179725367 473714221 /nfs/dbraw/zinc/71/42/21/473714221.db2.gz IWGFBZRBOLLDBS-UHFFFAOYSA-N 0 1 340.423 2.749 20 10 EFCDMN CC[C@@H]([NH2+][C@H](CO)CCOC)c1cc(Br)ccc1[O-] ZINC000281547319 473759648 /nfs/dbraw/zinc/75/96/48/473759648.db2.gz IYQFSDKKLKEAHD-WCQYABFASA-N 0 1 332.238 2.593 20 10 EFCDMN CC[C@H]([NH2+][C@@H](CO)CCOC)c1cc(Br)ccc1[O-] ZINC000281547326 473759717 /nfs/dbraw/zinc/75/97/17/473759717.db2.gz IYQFSDKKLKEAHD-YPMHNXCESA-N 0 1 332.238 2.593 20 10 EFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000180070991 473791016 /nfs/dbraw/zinc/79/10/16/473791016.db2.gz ATAGHCMMMOQOFD-ZDUSSCGKSA-N 0 1 332.835 2.963 20 10 EFCDMN Cc1ccc2c(c1)nc(CNCc1cc3c(cc1O)OCO3)n2C ZINC000187574972 473885711 /nfs/dbraw/zinc/88/57/11/473885711.db2.gz XUSVIGUEJGNHBG-UHFFFAOYSA-N 0 1 325.368 2.606 20 10 EFCDMN Cc1cc(N(C)C)cc(C)c1NS(=O)(=O)c1cccc2nonc21 ZINC000269896226 473909982 /nfs/dbraw/zinc/90/99/82/473909982.db2.gz FKTCMHSVRBRXKZ-UHFFFAOYSA-N 0 1 346.412 2.706 20 10 EFCDMN C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1cc(Br)ccc1[O-] ZINC000282302182 474014683 /nfs/dbraw/zinc/01/46/83/474014683.db2.gz MLRPKDBNFKTPIO-NIVTXAMTSA-N 0 1 332.263 2.716 20 10 EFCDMN CC(=O)NCCN(Cc1ccsc1)Cc1ccc(N(C)C)cc1 ZINC000282345065 474031583 /nfs/dbraw/zinc/03/15/83/474031583.db2.gz ABTPKADICUVUTL-UHFFFAOYSA-N 0 1 331.485 2.952 20 10 EFCDMN C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(Br)cc1[O-] ZINC000282357521 474036757 /nfs/dbraw/zinc/03/67/57/474036757.db2.gz PNNOWSSGBLHJDB-NIVTXAMTSA-N 0 1 332.263 2.716 20 10 EFCDMN C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(O)c1 ZINC000181486487 474040385 /nfs/dbraw/zinc/04/03/85/474040385.db2.gz FWNGYVTVXSALHE-HNNXBMFYSA-N 0 1 341.455 2.767 20 10 EFCDMN CCCC[N@@H+](CC(=O)Nc1c(C)n[nH]c1C)Cc1ccccc1O ZINC000282524679 474097918 /nfs/dbraw/zinc/09/79/18/474097918.db2.gz UGNMPCYGZHCNNO-UHFFFAOYSA-N 0 1 330.432 2.973 20 10 EFCDMN CCCCN(CC(=O)Nc1c(C)n[nH]c1C)Cc1ccccc1O ZINC000282524679 474097923 /nfs/dbraw/zinc/09/79/23/474097923.db2.gz UGNMPCYGZHCNNO-UHFFFAOYSA-N 0 1 330.432 2.973 20 10 EFCDMN CC[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1nccn1C ZINC000182572743 474209192 /nfs/dbraw/zinc/20/91/92/474209192.db2.gz GITFHYRXLSKORA-IBGZPJMESA-N 0 1 342.487 2.870 20 10 EFCDMN [O-]c1ccc(Br)cc1C[NH2+]CCCOC[C@H]1CCCO1 ZINC000227435406 474246357 /nfs/dbraw/zinc/24/63/57/474246357.db2.gz MTDUILWICYCHJD-CQSZACIVSA-N 0 1 344.249 2.830 20 10 EFCDMN CC[C@H](C)NC(=O)CC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000227440787 474246443 /nfs/dbraw/zinc/24/64/43/474246443.db2.gz NIJMAKDGLPTGQK-JTQLQIEISA-N 0 1 329.238 2.549 20 10 EFCDMN CC1(C)CN(C(=O)Cc2ccc(N)cc2)CCN1Cc1ccccc1 ZINC000236635753 474275815 /nfs/dbraw/zinc/27/58/15/474275815.db2.gz IXKGAWREEAUEHF-UHFFFAOYSA-N 0 1 337.467 2.934 20 10 EFCDMN CC(C)N(CC(N)=O)Cc1ccc(OCc2ccccc2)cc1O ZINC000182953732 474296300 /nfs/dbraw/zinc/29/63/00/474296300.db2.gz WLNCRMOVBLJILL-UHFFFAOYSA-N 0 1 328.412 2.667 20 10 EFCDMN CCCN(CC(=O)NC)Cc1ccc(OCc2ccccc2)cc1O ZINC000183013895 474306265 /nfs/dbraw/zinc/30/62/65/474306265.db2.gz IXOLTDUOZJHKKY-UHFFFAOYSA-N 0 1 342.439 2.929 20 10 EFCDMN C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000289612052 474344375 /nfs/dbraw/zinc/34/43/75/474344375.db2.gz LGTCXYRFNKOACA-FZMZJTMJSA-N 0 1 345.270 2.994 20 10 EFCDMN NC(=O)CCC1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000271160077 474410870 /nfs/dbraw/zinc/41/08/70/474410870.db2.gz ABXKLINSLWEFLS-UHFFFAOYSA-N 0 1 341.249 2.632 20 10 EFCDMN CN(Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000271216483 474445154 /nfs/dbraw/zinc/44/51/54/474445154.db2.gz XAHXMTRHLBUMTE-KRWDZBQOSA-N 0 1 336.501 2.543 20 10 EFCDMN Cc1ccc(O)c(CN2CCN(Cc3noc(C(C)(C)C)n3)CC2)c1 ZINC000271220579 474448715 /nfs/dbraw/zinc/44/87/15/474448715.db2.gz ZDMNLPLHXLSKOZ-UHFFFAOYSA-N 0 1 344.459 2.699 20 10 EFCDMN CCN(Cc1cc(Cl)cc(OC)c1O)C[C@@H](O)C(F)(F)F ZINC000189870905 474497315 /nfs/dbraw/zinc/49/73/15/474497315.db2.gz WMEKWGROCASXDI-LLVKDONJSA-N 0 1 327.730 2.799 20 10 EFCDMN Cc1noc(C(C)(C)[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000283811594 474502619 /nfs/dbraw/zinc/50/26/19/474502619.db2.gz BPCRCTGAXYHQMH-UHFFFAOYSA-N 0 1 326.740 2.670 20 10 EFCDMN O=C(NCc1cccc(Br)c1O)C(F)(F)C(F)F ZINC000277513520 474589202 /nfs/dbraw/zinc/58/92/02/474589202.db2.gz LDEUANOVKPZHCP-UHFFFAOYSA-N 0 1 330.075 2.671 20 10 EFCDMN CCn1cc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000271467708 474559772 /nfs/dbraw/zinc/55/97/72/474559772.db2.gz IMTNFMXSKHKPOY-CQSZACIVSA-N 0 1 332.423 2.730 20 10 EFCDMN CCC[C@]1(CO)CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000290218173 474561514 /nfs/dbraw/zinc/56/15/14/474561514.db2.gz RISMQARRXIAPAR-HNNXBMFYSA-N 0 1 328.796 2.938 20 10 EFCDMN COc1cncc(CN(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000290258099 474563972 /nfs/dbraw/zinc/56/39/72/474563972.db2.gz KKCISYBXRRUKEV-UHFFFAOYSA-N 0 1 327.428 2.559 20 10 EFCDMN CC[C@@H](C)c1nc([C@H](C)NCc2cc(OC)c(OC)cc2O)n[nH]1 ZINC000276829225 474571935 /nfs/dbraw/zinc/57/19/35/474571935.db2.gz BIIZNMFGFPTLDL-MNOVXSKESA-N 0 1 334.420 2.892 20 10 EFCDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C=Cc2ccc(O)c(O)c2)n[nH]1 ZINC000277149716 474579868 /nfs/dbraw/zinc/57/98/68/474579868.db2.gz WCJVANNNMVXHMY-YBFGJNSCSA-N 0 1 330.388 2.620 20 10 EFCDMN CCc1nc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)n[nH]1 ZINC000271532836 474581056 /nfs/dbraw/zinc/58/10/56/474581056.db2.gz PVPGXSLSQZCJKG-ZIAGYGMSSA-N 0 1 329.448 2.616 20 10 EFCDMN Cc1cccc(CN2CCN(c3nc(F)c(F)cc3F)CC2)c1O ZINC000277380231 474583103 /nfs/dbraw/zinc/58/31/03/474583103.db2.gz GFTYQZZXQYXSJV-UHFFFAOYSA-N 0 1 337.345 2.835 20 10 EFCDMN CCNC(=O)C1(C[NH2+]Cc2cc(Br)ccc2[O-])CCC1 ZINC000277499643 474587122 /nfs/dbraw/zinc/58/71/22/474587122.db2.gz VAXIMBARJZARMP-UHFFFAOYSA-N 0 1 341.249 2.551 20 10 EFCDMN CCOC1CC(O)(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])C1 ZINC000278185776 474602321 /nfs/dbraw/zinc/60/23/21/474602321.db2.gz BULPVPVQNXPYKJ-CKQAKLJMSA-N 0 1 344.249 2.735 20 10 EFCDMN COc1c([O-])c(C[N@@H+](CCCO)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000278277018 474604616 /nfs/dbraw/zinc/60/46/16/474604616.db2.gz SIQMCUHVWZCSSD-UHFFFAOYSA-N 0 1 326.393 2.540 20 10 EFCDMN Cc1cc(C2CCN(C(=O)C=Cc3ccc(O)c(O)c3)CC2)n[nH]1 ZINC000272362465 474607816 /nfs/dbraw/zinc/60/78/16/474607816.db2.gz BSYLDYMLRXCEJU-HWKANZROSA-N 0 1 327.384 2.549 20 10 EFCDMN COc1c([O-])c(C[NH2+]Cc2ccc3c(n2)CCCC3)ccc1[N+](=O)[O-] ZINC000278568914 474707878 /nfs/dbraw/zinc/70/78/78/474707878.db2.gz BRMINGIXNIRREO-UHFFFAOYSA-N 0 1 343.383 2.873 20 10 EFCDMN C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1cc(Br)ccc1[O-] ZINC000273443881 474900109 /nfs/dbraw/zinc/90/01/09/474900109.db2.gz DSVRCCMBRSHHQV-BMIGLBTASA-N 0 1 344.249 2.593 20 10 EFCDMN Cc1cc(CNCc2ccc(N(C)C)c(F)c2)nc(N2CCCC2)n1 ZINC000292220307 474909055 /nfs/dbraw/zinc/90/90/55/474909055.db2.gz ABGBYNGZKUCQTG-UHFFFAOYSA-N 0 1 343.450 2.880 20 10 EFCDMN CCCOc1ncccc1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278912468 474911489 /nfs/dbraw/zinc/91/14/89/474911489.db2.gz SRENFQKSDKYUHL-UHFFFAOYSA-N 0 1 347.371 2.783 20 10 EFCDMN C[C@H]([NH2+]CCN1CCSCC1)c1ccc(Br)cc1[O-] ZINC000273561335 474962257 /nfs/dbraw/zinc/96/22/57/474962257.db2.gz IDSZJZCMGJKGCA-NSHDSACASA-N 0 1 345.306 2.854 20 10 EFCDMN C[C@H](C[S@@](C)=O)N(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279556679 474980244 /nfs/dbraw/zinc/98/02/44/474980244.db2.gz AZRMLBKHSYYUEL-RKFFSXRUSA-N 0 1 336.423 2.970 20 10 EFCDMN C[C@H](N[C@@H](C)c1ccc(Br)cc1O)c1nncn1C ZINC000273593355 474980742 /nfs/dbraw/zinc/98/07/42/474980742.db2.gz PVGDXLQKGBMTEQ-IUCAKERBSA-N 0 1 325.210 2.695 20 10 EFCDMN CC(C)N1CC[C@@H](NCc2ccc(N(C)C)cc2C(F)(F)F)C1=O ZINC000280665682 475042524 /nfs/dbraw/zinc/04/25/24/475042524.db2.gz BYGTWUBIXBWUSR-OAHLLOKOSA-N 0 1 343.393 2.870 20 10 EFCDMN C[C@@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C[N@@H+]1Cc1ccccc1 ZINC000295164210 475109774 /nfs/dbraw/zinc/10/97/74/475109774.db2.gz QWKIQPUWHNRRSW-OCCSQVGLSA-N 0 1 344.386 2.630 20 10 EFCDMN C[C@@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C[N@H+]1Cc1ccccc1 ZINC000295164210 475109780 /nfs/dbraw/zinc/10/97/80/475109780.db2.gz QWKIQPUWHNRRSW-OCCSQVGLSA-N 0 1 344.386 2.630 20 10 EFCDMN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCCc2cn[nH]c21 ZINC000269048367 475147176 /nfs/dbraw/zinc/14/71/76/475147176.db2.gz UFPZCBUKBWDYBR-MRXNPFEDSA-N 0 1 340.427 2.871 20 10 EFCDMN CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2n[nH]c(C)n2)cc1F ZINC000287507266 475177527 /nfs/dbraw/zinc/17/75/27/475177527.db2.gz FGWKZHHGOKEBRK-LLVKDONJSA-N 0 1 348.426 2.659 20 10 EFCDMN CC[C@H]([NH2+]C[C@@H](C)CN1CCN(C)CC1)c1cccc(Cl)c1[O-] ZINC000287572428 475199786 /nfs/dbraw/zinc/19/97/86/475199786.db2.gz GWQUXZRHCNYWNB-PBHICJAKSA-N 0 1 339.911 2.970 20 10 EFCDMN CN(C)c1ccc2c(c1)OCCN2C(=O)c1[nH]cnc1C(C)(C)C ZINC000631561689 480155334 /nfs/dbraw/zinc/15/53/34/480155334.db2.gz ITIBBISFVUNRRX-UHFFFAOYSA-N 0 1 328.416 2.812 20 10 EFCDMN Cc1[nH]ncc1CCCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000349357612 475952145 /nfs/dbraw/zinc/95/21/45/475952145.db2.gz UROSJRFTEGPUDI-UHFFFAOYSA-N 0 1 339.443 2.950 20 10 EFCDMN COc1c([O-])c(C[N@@H+]2CCC[C@@H]2c2cn(C)nc2C)ccc1[N+](=O)[O-] ZINC000373209903 476384164 /nfs/dbraw/zinc/38/41/64/476384164.db2.gz MXJDBLZRFHIHQM-CQSZACIVSA-N 0 1 346.387 2.688 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H]2c2cn(C)nc2C)ccc1[N+](=O)[O-] ZINC000373209903 476384169 /nfs/dbraw/zinc/38/41/69/476384169.db2.gz MXJDBLZRFHIHQM-CQSZACIVSA-N 0 1 346.387 2.688 20 10 EFCDMN C[C@H]1OCC[C@@]12CN(Cc1c(O)ccc(Cl)c1F)C[C@@H](C)O2 ZINC000369290292 476404163 /nfs/dbraw/zinc/40/41/63/476404163.db2.gz KXKYFQKCLJPRSE-GLKRBJQHSA-N 0 1 329.799 2.953 20 10 EFCDMN C[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CC2(CCOCC2)O1 ZINC000369285909 476404289 /nfs/dbraw/zinc/40/42/89/476404289.db2.gz YGMINKMVXVWSGX-NSHDSACASA-N 0 1 329.799 2.955 20 10 EFCDMN CCOc1cccc(C[N@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1O ZINC000373535031 476413531 /nfs/dbraw/zinc/41/35/31/476413531.db2.gz PZKXOAJRNCHEGR-FQEVSTJZSA-N 0 1 338.407 2.887 20 10 EFCDMN COC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc(Cl)ccc2O)C1 ZINC000377681901 476517537 /nfs/dbraw/zinc/51/75/37/476517537.db2.gz XJKJBTUHMLLXMC-ZDUSSCGKSA-N 0 1 337.725 2.973 20 10 EFCDMN O=C1NCCN(Cc2cccc(Cl)c2O)[C@@H]1c1ccccc1F ZINC000371804369 477502892 /nfs/dbraw/zinc/50/28/92/477502892.db2.gz WWMVGTYDPPEVIJ-OAHLLOKOSA-N 0 1 334.778 2.858 20 10 EFCDMN CCOc1cccc(CN[C@H]2CCCc3cn(CCOC)nc32)c1O ZINC000368084663 477783625 /nfs/dbraw/zinc/78/36/25/477783625.db2.gz HIKHZNDSUXJXBV-INIZCTEOSA-N 0 1 345.443 2.801 20 10 EFCDMN CCOc1cccc(CN[C@@H]2CCCc3cn(CCOC)nc32)c1O ZINC000368084664 477784155 /nfs/dbraw/zinc/78/41/55/477784155.db2.gz HIKHZNDSUXJXBV-MRXNPFEDSA-N 0 1 345.443 2.801 20 10 EFCDMN Cc1cc(Br)cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c1O ZINC000368319900 477798561 /nfs/dbraw/zinc/79/85/61/477798561.db2.gz ZGWVFGHUKIMZMH-MRXNPFEDSA-N 0 1 339.277 2.991 20 10 EFCDMN CCOC[C@@H]1CN(Cc2c(O)ccc3ccc(OC)cc32)CCO1 ZINC000530107175 477877244 /nfs/dbraw/zinc/87/72/44/477877244.db2.gz QBMHSCKHSYRKDY-INIZCTEOSA-N 0 1 331.412 2.791 20 10 EFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NCC12CC(C1)CO2 ZINC000528235237 478688556 /nfs/dbraw/zinc/68/85/56/478688556.db2.gz MLFLGZKYOOYIOO-UHFFFAOYSA-N 0 1 331.199 2.677 20 10 EFCDMN COCCn1c(C)c(C)c2cc(C(=O)NCc3cc(C)[nH]n3)ccc21 ZINC000603489722 479394885 /nfs/dbraw/zinc/39/48/85/479394885.db2.gz ZWNJJKIWEMTMTK-UHFFFAOYSA-N 0 1 340.427 2.866 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1[O-] ZINC000177100820 527206710 /nfs/dbraw/zinc/20/67/10/527206710.db2.gz ISTZNQLEVNBNIE-GFCCVEGCSA-N 0 1 339.819 2.833 20 10 EFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c1[O-] ZINC000177100820 527206715 /nfs/dbraw/zinc/20/67/15/527206715.db2.gz ISTZNQLEVNBNIE-GFCCVEGCSA-N 0 1 339.819 2.833 20 10 EFCDMN CC(=O)c1cc(Cl)cc(CN2CCC3(CC2)OCCO3)c1O ZINC000177248469 527207123 /nfs/dbraw/zinc/20/71/23/527207123.db2.gz QXNDVMHEEZZZIJ-UHFFFAOYSA-N 0 1 325.792 2.587 20 10 EFCDMN CCCCN(Cc1cc(OCC)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000160786371 528441024 /nfs/dbraw/zinc/44/10/24/528441024.db2.gz VLQBKUKXLHMVED-OAHLLOKOSA-N 0 1 341.473 2.580 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)N[C@H](C)C3CC3)cc2F)CC1 ZINC000171702963 529153037 /nfs/dbraw/zinc/15/30/37/529153037.db2.gz ADTTWLQUCAPIFR-CQSZACIVSA-N 0 1 348.466 2.565 20 10 EFCDMN COC[C@H]1CN(Cc2ccc(N3CCC(OC)CC3)cc2)C[C@H](C)O1 ZINC000296035636 536587095 /nfs/dbraw/zinc/58/70/95/536587095.db2.gz PKXVTMATCQLTLJ-OXJNMPFZSA-N 0 1 348.487 2.538 20 10 EFCDMN COc1ccc(N2CCCN(Cc3cccnc3OC)CC2)cc1 ZINC000193314633 536672960 /nfs/dbraw/zinc/67/29/60/536672960.db2.gz GLMBZIPNCSTOAG-UHFFFAOYSA-N 0 1 327.428 2.811 20 10 EFCDMN COc1c([O-])c(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)ccc1[N+](=O)[O-] ZINC000365125341 536861830 /nfs/dbraw/zinc/86/18/30/536861830.db2.gz ZRXZONJZRCOJJP-CQSZACIVSA-N 0 1 336.388 2.700 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H](OCC3CC3)C2)ccc1[N+](=O)[O-] ZINC000365125341 536861837 /nfs/dbraw/zinc/86/18/37/536861837.db2.gz ZRXZONJZRCOJJP-CQSZACIVSA-N 0 1 336.388 2.700 20 10 EFCDMN COc1c([O-])c(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000290886615 536862201 /nfs/dbraw/zinc/86/22/01/536862201.db2.gz LBXYCRBHMVMBNT-WMLDXEAASA-N 0 1 348.399 2.843 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000290886615 536862205 /nfs/dbraw/zinc/86/22/05/536862205.db2.gz LBXYCRBHMVMBNT-WMLDXEAASA-N 0 1 348.399 2.843 20 10 EFCDMN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCCc2cn[nH]c21 ZINC000268858714 545630005 /nfs/dbraw/zinc/63/00/05/545630005.db2.gz HJOPYRPQRZMEIO-KRWDZBQOSA-N 0 1 337.427 2.663 20 10 EFCDMN C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756459912 575742683 /nfs/dbraw/zinc/74/26/83/575742683.db2.gz QECCXDGDHRYRHZ-GHMZBOCLSA-N 0 1 333.259 2.806 20 10 EFCDMN C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1cc(Br)ccc1[O-] ZINC000756533044 575756158 /nfs/dbraw/zinc/75/61/58/575756158.db2.gz HNYJTIQITCEFIR-NEPJUHHUSA-N 0 1 343.265 2.526 20 10 EFCDMN C[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccc(Br)cc1[O-] ZINC000756546528 575758834 /nfs/dbraw/zinc/75/88/34/575758834.db2.gz RFUDHJRJBQOQHU-NEPJUHHUSA-N 0 1 343.265 2.526 20 10 EFCDMN C[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(Br)cc1[O-] ZINC000756546530 575758881 /nfs/dbraw/zinc/75/88/81/575758881.db2.gz RFUDHJRJBQOQHU-NWDGAFQWSA-N 0 1 343.265 2.526 20 10 EFCDMN C[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccc(Br)cc1[O-] ZINC000756546533 575759022 /nfs/dbraw/zinc/75/90/22/575759022.db2.gz RFUDHJRJBQOQHU-VXGBXAGGSA-N 0 1 343.265 2.526 20 10 EFCDMN C[C@H]([NH2+]CC(=O)NC1CCCC1)c1cc(Br)ccc1[O-] ZINC000756706941 575779127 /nfs/dbraw/zinc/77/91/27/575779127.db2.gz RFVMMGQEOIAUIY-JTQLQIEISA-N 0 1 341.249 2.864 20 10 EFCDMN C[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1ccc(Br)cc1[O-] ZINC000756756976 575784276 /nfs/dbraw/zinc/78/42/76/575784276.db2.gz BDLQHRRAMSGUNN-ZIBATOQPSA-N 0 1 343.265 2.524 20 10 EFCDMN CC(C)N(Cc1ccc(N(C)C)cc1)CN1C[C@]2(CCOC2)CC1=O ZINC000756849572 575792016 /nfs/dbraw/zinc/79/20/16/575792016.db2.gz UHBJSPGAEOTFCE-FQEVSTJZSA-N 0 1 345.487 2.560 20 10 EFCDMN CN(C)c1ccc(CNCc2ccc3c(c2)CCS3(=O)=O)cc1F ZINC000757694602 575850287 /nfs/dbraw/zinc/85/02/87/575850287.db2.gz WJMCOXKWIRMVEL-UHFFFAOYSA-N 0 1 348.443 2.511 20 10 EFCDMN O=C1NN(c2ccccc2)C(=O)/C1=C/C=C/c1ccc(F)cc1F ZINC000758062296 575859054 /nfs/dbraw/zinc/85/90/54/575859054.db2.gz IXHKSPJEGXMGGV-SPXDXPJOSA-N 0 1 326.302 2.982 20 10 EFCDMN Oc1c(F)cc(Cl)cc1CN1CCN(Cc2ccncc2)CC1 ZINC000761216119 576131215 /nfs/dbraw/zinc/13/12/15/576131215.db2.gz LGJALLUTUJBJPS-UHFFFAOYSA-N 0 1 335.810 2.898 20 10 EFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCOCC3(CCC3)C2)c1[O-] ZINC000761225928 576132796 /nfs/dbraw/zinc/13/27/96/576132796.db2.gz NFBICSXJPQMFNT-UHFFFAOYSA-N 0 1 326.780 2.956 20 10 EFCDMN CCOc1ccc(O)c(CN2CCN(C(=O)C3CC3)CC2(C)C)c1 ZINC000761226398 576132829 /nfs/dbraw/zinc/13/28/29/576132829.db2.gz QVNVOKMQPVEHEP-UHFFFAOYSA-N 0 1 332.444 2.624 20 10 EFCDMN CN(C)C(=O)N1CC[N@H+](Cc2cccc(Cl)c2[O-])C(C)(C)C1 ZINC000761226963 576133204 /nfs/dbraw/zinc/13/32/04/576133204.db2.gz 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Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])C2 ZINC000825096249 1278410651 /nfs/dbraw/zinc/41/06/51/1278410651.db2.gz DEGAJUJYGYRHJB-CQSZACIVSA-N 0 1 348.244 2.900 20 10 EFCDMN CC(C)[C@@H]1CN(C)CCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000738991696 1268623222 /nfs/dbraw/zinc/62/32/22/1268623222.db2.gz STNDCORPVRUZDX-IBGZPJMESA-N 0 1 344.503 2.551 20 10 EFCDMN Cc1cc([O-])c(C[NH2+]CCCNC(=O)c2cccc(O)c2)cc1Cl ZINC000825186088 1278446171 /nfs/dbraw/zinc/44/61/71/1278446171.db2.gz VXQURWCXUDOGDM-UHFFFAOYSA-N 0 1 348.830 2.969 20 10 EFCDMN Cc1noc(CCC[NH2+]Cc2ccc(Br)cc2[O-])n1 ZINC000825253315 1278487676 /nfs/dbraw/zinc/48/76/76/1278487676.db2.gz HBEJVDFUHGOWQA-UHFFFAOYSA-N 0 1 326.194 2.569 20 10 EFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1Cl ZINC000825291361 1278495322 /nfs/dbraw/zinc/49/53/22/1278495322.db2.gz KARGEXWKYWFVDF-QWHCGFSZSA-N 0 1 331.865 2.799 20 10 EFCDMN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])CN1C1CC1 ZINC000825353684 1278518782 /nfs/dbraw/zinc/51/87/82/1278518782.db2.gz OUUOKAIHMOFFDA-ZWNOBZJWSA-N 0 1 325.250 2.870 20 10 EFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000825406120 1278539542 /nfs/dbraw/zinc/53/95/42/1278539542.db2.gz OIXUOHYNMOCNPZ-UKRRQHHQSA-N 0 1 342.233 2.582 20 10 EFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000825406118 1278539549 /nfs/dbraw/zinc/53/95/49/1278539549.db2.gz OIXUOHYNMOCNPZ-HIFRSBDPSA-N 0 1 342.233 2.582 20 10 EFCDMN COC(=O)CC1([NH2+]Cc2ccc(Br)cc2[O-])CCC1 ZINC000825413311 1278541252 /nfs/dbraw/zinc/54/12/52/1278541252.db2.gz UPRWEVXDSWKNFB-UHFFFAOYSA-N 0 1 328.206 2.730 20 10 EFCDMN CCCCCN1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001113703799 1278551271 /nfs/dbraw/zinc/55/12/71/1278551271.db2.gz MHKQRQRMKYFPAK-UHFFFAOYSA-N 0 1 331.420 2.797 20 10 EFCDMN CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825422694 1278547901 /nfs/dbraw/zinc/54/79/01/1278547901.db2.gz QXKHQYGGNWIDHZ-UWVGGRQHSA-N 0 1 329.238 2.548 20 10 EFCDMN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)cc2C)c(F)c1 ZINC000743259554 1270492964 /nfs/dbraw/zinc/49/29/64/1270492964.db2.gz CXWYUBMIBWGLIP-UHFFFAOYSA-N 0 1 338.360 2.599 20 10 EFCDMN Cc1cc([O-])c(C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)cc1Cl ZINC000825520286 1278582566 /nfs/dbraw/zinc/58/25/66/1278582566.db2.gz ZMEXKYKXSMPWPR-INIZCTEOSA-N 0 1 329.824 2.536 20 10 EFCDMN CC(C)(C)OC(=O)[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000792165641 1278603141 /nfs/dbraw/zinc/60/31/41/1278603141.db2.gz KBKNZPNBFUCTPU-CYBMUJFWSA-N 0 1 345.798 2.727 20 10 EFCDMN Cc1ccnc(NC(=O)CN(C)Cc2c(O)ccc(Cl)c2F)c1 ZINC000792166328 1278607004 /nfs/dbraw/zinc/60/70/04/1278607004.db2.gz WTOIFYGCXHSELR-UHFFFAOYSA-N 0 1 337.782 2.959 20 10 EFCDMN CC(C)(C)NC(=O)N1CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792175129 1278618067 /nfs/dbraw/zinc/61/80/67/1278618067.db2.gz QXGFIYZWRQAJGZ-UHFFFAOYSA-N 0 1 343.830 2.810 20 10 EFCDMN CCC[N@H+](Cc1cccc(Cl)c1[O-])[C@H](COC)C(=O)OCC ZINC000792185287 1278627061 /nfs/dbraw/zinc/62/70/61/1278627061.db2.gz JOIBYPQMWWIEEO-CQSZACIVSA-N 0 1 329.824 2.836 20 10 EFCDMN CCC[N@@H+](Cc1cccc(Cl)c1[O-])[C@H](COC)C(=O)OCC ZINC000792185287 1278627075 /nfs/dbraw/zinc/62/70/75/1278627075.db2.gz JOIBYPQMWWIEEO-CQSZACIVSA-N 0 1 329.824 2.836 20 10 EFCDMN CCCN(Cc1cccc(Cl)c1O)[C@H](COC)C(=O)OCC ZINC000792185287 1278627094 /nfs/dbraw/zinc/62/70/94/1278627094.db2.gz JOIBYPQMWWIEEO-CQSZACIVSA-N 0 1 329.824 2.836 20 10 EFCDMN CC[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cc(Br)ccc1[O-] ZINC000704304784 1273299936 /nfs/dbraw/zinc/29/99/36/1273299936.db2.gz LUETYFYVSIGWAV-QWHCGFSZSA-N 0 1 341.249 2.816 20 10 EFCDMN C[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])C(=O)NC(C)(C)C ZINC000691500322 1274732215 /nfs/dbraw/zinc/73/22/15/1274732215.db2.gz GDIKRZQNUZERQZ-SECBINFHSA-N 0 1 329.238 2.548 20 10 EFCDMN CC[C@@H](C)NC(=O)CC[NH2+]Cc1c([O-])cccc1Br ZINC000706809412 1275031058 /nfs/dbraw/zinc/03/10/58/1275031058.db2.gz WGUVSZWSJRDCSN-SNVBAGLBSA-N 0 1 329.238 2.549 20 10 EFCDMN O=C(CC[NH2+]Cc1c([O-])cccc1Br)N1CCCCC1 ZINC000706830415 1275040722 /nfs/dbraw/zinc/04/07/22/1275040722.db2.gz WFIWXJMQUMHRDF-UHFFFAOYSA-N 0 1 341.249 2.647 20 10 EFCDMN COC(=O)c1ccc(CN(C)CCN(C)c2ccc(OC)cc2)o1 ZINC000844399854 1278948054 /nfs/dbraw/zinc/94/80/54/1278948054.db2.gz QHWVMBQXMOGLJG-UHFFFAOYSA-N 0 1 332.400 2.643 20 10 EFCDMN C[C@@H]1CN(c2ccccc2F)CCN1Cc1cc2c(cc1O)OCO2 ZINC000788785196 1276331193 /nfs/dbraw/zinc/33/11/93/1276331193.db2.gz WXAHNITULSHRPY-CYBMUJFWSA-N 0 1 344.386 2.971 20 10 EFCDMN C[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1cccc(Br)c1O ZINC000817880595 1276358460 /nfs/dbraw/zinc/35/84/60/1276358460.db2.gz AFOKXYPHPXVVGF-ONGXEEELSA-N 0 1 328.206 2.840 20 10 EFCDMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cccc(Br)c1O ZINC000817880595 1276358466 /nfs/dbraw/zinc/35/84/66/1276358466.db2.gz AFOKXYPHPXVVGF-ONGXEEELSA-N 0 1 328.206 2.840 20 10 EFCDMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1cccc(Br)c1O ZINC000817880593 1276358728 /nfs/dbraw/zinc/35/87/28/1276358728.db2.gz AFOKXYPHPXVVGF-KOLCDFICSA-N 0 1 328.206 2.840 20 10 EFCDMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cccc(Br)c1O ZINC000817880593 1276358733 /nfs/dbraw/zinc/35/87/33/1276358733.db2.gz AFOKXYPHPXVVGF-KOLCDFICSA-N 0 1 328.206 2.840 20 10 EFCDMN COc1cc(C#N)ccc1S(=O)(=O)Nc1cc(C)c(O)c(C)c1C ZINC000187059025 1276514767 /nfs/dbraw/zinc/51/47/67/1276514767.db2.gz QTIPOJHETOVUKP-UHFFFAOYSA-N 0 1 346.408 2.999 20 10 EFCDMN CCN1CCCC[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819583470 1276825312 /nfs/dbraw/zinc/82/53/12/1276825312.db2.gz WVVBDOSHLIXDCE-LPHOPBHVSA-N 0 1 345.487 2.512 20 10 EFCDMN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000819756027 1276912012 /nfs/dbraw/zinc/91/20/12/1276912012.db2.gz QAOXNEFULJIFIE-UHFFFAOYSA-N 0 1 343.383 2.593 20 10 EFCDMN Cc1cc(CCNC(=O)C2(N(C)C)CC2)c(C)n1-c1ccccc1 ZINC000820005644 1276967368 /nfs/dbraw/zinc/96/73/68/1276967368.db2.gz VKDVPIFNQXWSEL-UHFFFAOYSA-N 0 1 325.456 2.847 20 10 EFCDMN C[C@H]1CCC[C@@]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)(C(=O)[O-])C1 ZINC000789902442 1277088674 /nfs/dbraw/zinc/08/86/74/1277088674.db2.gz NZRXVVGGQXKHDS-JXFKEZNVSA-N 0 1 345.487 2.562 20 10 EFCDMN O=C(Nc1cccc(NC(=O)C2CC2)c1)c1c(F)ccc(O)c1O ZINC000789955385 1277115182 /nfs/dbraw/zinc/11/51/82/1277115182.db2.gz YKFYXSCCOMQEOQ-UHFFFAOYSA-N 0 1 330.315 2.838 20 10 EFCDMN O=C(Nc1ccc(N2CCCCC2)cn1)c1c(F)ccc(O)c1O ZINC000789966511 1277127874 /nfs/dbraw/zinc/12/78/74/1277127874.db2.gz GVGBEQJXWKFARF-UHFFFAOYSA-N 0 1 331.347 2.875 20 10 EFCDMN C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000789966543 1277127879 /nfs/dbraw/zinc/12/78/79/1277127879.db2.gz HURMAXNLONVWCV-VXGBXAGGSA-N 0 1 338.423 2.723 20 10 EFCDMN CC(C)(C)c1cnc(/C=C2/C(=O)NN(c3ccccc3)C2=O)s1 ZINC000790601457 1277674663 /nfs/dbraw/zinc/67/46/63/1277674663.db2.gz UZWJMPNEIQVYLT-XFXZXTDPSA-N 0 1 327.409 2.902 20 10 EFCDMN CN(C)[C@H](CNC(=O)c1cccc(O)c1O)c1ccc(Cl)cc1 ZINC000790838040 1277785871 /nfs/dbraw/zinc/78/58/71/1277785871.db2.gz CJKDMLZLIDVYHM-CQSZACIVSA-N 0 1 334.803 2.784 20 10 EFCDMN C[C@@H]1OCC[C@]12C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H](C)O2 ZINC000790933293 1277853519 /nfs/dbraw/zinc/85/35/19/1277853519.db2.gz ZPRYGQFDLBHZHH-GDLVEWKHSA-N 0 1 329.799 2.953 20 10 EFCDMN C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H](C)O2 ZINC000790933293 1277853521 /nfs/dbraw/zinc/85/35/21/1277853521.db2.gz ZPRYGQFDLBHZHH-GDLVEWKHSA-N 0 1 329.799 2.953 20 10 EFCDMN CCN(C)c1ccc(CN[C@@]2(CO)CCOc3ccccc32)cc1 ZINC000815108237 1287329861 /nfs/dbraw/zinc/32/98/61/1287329861.db2.gz SYMDYGZZFFWFPO-HXUWFJFHSA-N 0 1 326.440 2.903 20 10 EFCDMN CCN(CC)c1ccc(C[NH2+]Cc2nc(CC(=O)[O-])cs2)cc1 ZINC000871877164 1287336119 /nfs/dbraw/zinc/33/61/19/1287336119.db2.gz ZUMIDMACZYXGFT-UHFFFAOYSA-N 0 1 333.457 2.906 20 10 EFCDMN CCN(CC)c1ccc(CNC(=O)NCCN2CC=CCC2)cc1F ZINC000792994477 1279318476 /nfs/dbraw/zinc/31/84/76/1279318476.db2.gz FQQWBPGBZFMTMV-UHFFFAOYSA-N 0 1 348.466 2.733 20 10 EFCDMN CN(C)c1ccc(CN2CC[C@@H](n3cncn3)C2)c(C(F)(F)F)c1 ZINC000793096750 1279375240 /nfs/dbraw/zinc/37/52/40/1279375240.db2.gz CLTBPYZKBXLBTG-CQSZACIVSA-N 0 1 339.365 2.810 20 10 EFCDMN COC(=O)[C@@H]1CCCCN1Cc1cc(Br)c(F)cc1O ZINC001144299217 1279386595 /nfs/dbraw/zinc/38/65/95/1279386595.db2.gz RVBDAPYEIGZMRZ-LBPRGKRZSA-N 0 1 346.196 2.821 20 10 EFCDMN Cc1cc(C[N@@H+](C)Cc2cc(Br)c(F)cc2[O-])n(C)n1 ZINC001144299704 1279388252 /nfs/dbraw/zinc/38/82/52/1279388252.db2.gz GSVVVORXTHHUOV-UHFFFAOYSA-N 0 1 342.212 2.968 20 10 EFCDMN [O-]c1cc(F)c(Br)cc1CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC001144300128 1279388414 /nfs/dbraw/zinc/38/84/14/1279388414.db2.gz UKHQWTXMBHOBHM-GFCCVEGCSA-N 0 1 343.240 2.964 20 10 EFCDMN [O-]c1cc(F)c(Br)cc1CN1CCC[N@H+]2CCC[C@H]2C1 ZINC001144300129 1279389235 /nfs/dbraw/zinc/38/92/35/1279389235.db2.gz UKHQWTXMBHOBHM-LBPRGKRZSA-N 0 1 343.240 2.964 20 10 EFCDMN C[C@H]1OCC[C@@]12CN(Cc1cccc(Br)c1O)CCO2 ZINC000793232398 1279459707 /nfs/dbraw/zinc/45/97/07/1279459707.db2.gz XAESYLKYKVTXLP-IAQYHMDHSA-N 0 1 342.233 2.535 20 10 EFCDMN C[C@@H]1OCC[C@]12CN(Cc1cccc(Br)c1O)CCO2 ZINC000793232400 1279460203 /nfs/dbraw/zinc/46/02/03/1279460203.db2.gz XAESYLKYKVTXLP-NHYWBVRUSA-N 0 1 342.233 2.535 20 10 EFCDMN Cc1cc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)n(C)n1 ZINC000793523944 1279716466 /nfs/dbraw/zinc/71/64/66/1279716466.db2.gz QUPDQICCJNCCGK-AWEZNQCLSA-N 0 1 346.450 2.680 20 10 EFCDMN C[C@H](O)C[N@H+]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])[C@@H](C)C1 ZINC000793585591 1279757585 /nfs/dbraw/zinc/75/75/85/1279757585.db2.gz BTIZOMGHYLXONE-QWRGUYRKSA-N 0 1 333.259 2.586 20 10 EFCDMN Cc1cc(O)c(CN2CC[C@@H](CS(C)(=O)=O)C2)cc1C(C)C ZINC000793695647 1279830747 /nfs/dbraw/zinc/83/07/47/1279830747.db2.gz JAOJCZLQZYRFHT-CQSZACIVSA-N 0 1 325.474 2.691 20 10 EFCDMN C[C@H]1CN(c2cccc(F)c2)CCN1Cc1cc2c(cc1O)OCO2 ZINC000793734700 1279849954 /nfs/dbraw/zinc/84/99/54/1279849954.db2.gz YCSZRCVYSJYKNO-ZDUSSCGKSA-N 0 1 344.386 2.971 20 10 EFCDMN C[C@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)Cc2ccccc2O1 ZINC000793779075 1279892441 /nfs/dbraw/zinc/89/24/41/1279892441.db2.gz GQOHIYDPKGSJKD-SJCJKPOMSA-N 0 1 327.380 2.601 20 10 EFCDMN Cc1ccc(O)c(CN2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)c1 ZINC000845999788 1279968808 /nfs/dbraw/zinc/96/88/08/1279968808.db2.gz LWIPYXOHRIHXSF-LJQANCHMSA-N 0 1 336.435 2.906 20 10 EFCDMN CCN1C[C@@H](C[NH2+][C@H](C)c2cc(Br)ccc2[O-])CC1=O ZINC000846208359 1280055377 /nfs/dbraw/zinc/05/53/77/1280055377.db2.gz IYKOHQPEEYOTEF-GHMZBOCLSA-N 0 1 341.249 2.674 20 10 EFCDMN C[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cc(Br)ccc1[O-] ZINC000846214924 1280071210 /nfs/dbraw/zinc/07/12/10/1280071210.db2.gz OKTMOISRNVLJOD-NHYWBVRUSA-N 0 1 344.249 2.737 20 10 EFCDMN CC(C)[N@H+](Cc1ccccc1)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846230005 1280077334 /nfs/dbraw/zinc/07/73/34/1280077334.db2.gz ANCZJLKVKMKAJX-UHFFFAOYSA-N 0 1 340.383 2.544 20 10 EFCDMN COC1CCN(c2ccc(C[N@H+]3CCC[C@H]3CC(=O)[O-])cc2)CC1 ZINC000846275445 1280094850 /nfs/dbraw/zinc/09/48/50/1280094850.db2.gz SFPGJVGADTXJDL-KRWDZBQOSA-N 0 1 332.444 2.741 20 10 EFCDMN COc1ccc(N(C)CCN(C)C(=O)c2cc(C3CC3)[nH]n2)cc1 ZINC000846447639 1280169123 /nfs/dbraw/zinc/16/91/23/1280169123.db2.gz SPBVBZWJITUSGP-UHFFFAOYSA-N 0 1 328.416 2.504 20 10 EFCDMN Cc1noc([C@@H](C)NC(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000805187197 1280473758 /nfs/dbraw/zinc/47/37/58/1280473758.db2.gz ZXGHBRZEZRJSOT-ZCFIWIBFSA-N 0 1 345.186 2.951 20 10 EFCDMN C[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-])[N@@H+](C)C1CC1 ZINC000805187812 1280474720 /nfs/dbraw/zinc/47/47/20/1280474720.db2.gz WTXNSWOJESGNBB-SECBINFHSA-N 0 1 346.258 2.981 20 10 EFCDMN C[C@@H]1C[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC[N@H+]1C ZINC000805187747 1280474926 /nfs/dbraw/zinc/47/49/26/1280474926.db2.gz VKTGYVZZCPRCHF-SKDRFNHKSA-N 0 1 346.258 2.981 20 10 EFCDMN CO[C@@H](C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)[O-])C1CC1 ZINC000846779214 1280482366 /nfs/dbraw/zinc/48/23/66/1280482366.db2.gz LTOFQAMQCJTXQR-AAEUAGOBSA-N 0 1 331.771 2.543 20 10 EFCDMN CC[C@H]([NH2+][C@@H](CCSC)C(=O)NC)c1cc(Cl)ccc1[O-] ZINC000806663717 1281129834 /nfs/dbraw/zinc/12/98/34/1281129834.db2.gz RJPPJLHIEFQCPN-STQMWFEESA-N 0 1 330.881 2.954 20 10 EFCDMN C[C@@]1(CCC(=O)NCc2cc(Cl)cc(Cl)c2O)CCC(=O)N1 ZINC000807840157 1281434843 /nfs/dbraw/zinc/43/48/43/1281434843.db2.gz ZQGQQVIMHNQHKN-OAHLLOKOSA-N 0 1 345.226 2.764 20 10 EFCDMN Cc1nn(C)c(C)c1CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840100 1281435102 /nfs/dbraw/zinc/43/51/02/1281435102.db2.gz YITAHFKMXJAYEL-UHFFFAOYSA-N 0 1 342.226 2.908 20 10 EFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCC12OCCO2 ZINC000807840542 1281435117 /nfs/dbraw/zinc/43/51/17/1281435117.db2.gz DFSYTKDNCIFNIA-NSHDSACASA-N 0 1 346.210 2.858 20 10 EFCDMN CCC(=O)N1CC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000807839440 1281446940 /nfs/dbraw/zinc/44/69/40/1281446940.db2.gz DOSLJUZNSOLBKA-SECBINFHSA-N 0 1 345.226 2.574 20 10 EFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc2nncn2c1 ZINC000807839746 1281447050 /nfs/dbraw/zinc/44/70/50/1281447050.db2.gz KTXISNCDOUWCJY-UHFFFAOYSA-N 0 1 337.166 2.672 20 10 EFCDMN Cc1n[nH]c(=O)c(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1C ZINC000807835288 1281447548 /nfs/dbraw/zinc/44/75/48/1281447548.db2.gz DEBGWGBJTQOCJF-UHFFFAOYSA-N 0 1 342.182 2.741 20 10 EFCDMN CCc1ncncc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838529 1281447784 /nfs/dbraw/zinc/44/77/84/1281447784.db2.gz VYIYSLDFYQSOGR-UHFFFAOYSA-N 0 1 326.183 2.981 20 10 EFCDMN O=C(CCOCC(F)F)NCc1cc(Cl)cc(Cl)c1O ZINC000807839584 1281448105 /nfs/dbraw/zinc/44/81/05/1281448105.db2.gz HZISIGSISHBONN-UHFFFAOYSA-N 0 1 328.142 2.987 20 10 EFCDMN CCN(CC)c1ccc(CN[C@@H](CCSC)C(=O)NC)cc1F ZINC000808437447 1281710627 /nfs/dbraw/zinc/71/06/27/1281710627.db2.gz NYROUCWOEBYDGM-HNNXBMFYSA-N 0 1 341.496 2.629 20 10 EFCDMN CN(Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@H]1CCN(C)C1=O ZINC000809580285 1282296508 /nfs/dbraw/zinc/29/65/08/1282296508.db2.gz MJNQKKOGWYALSJ-NRFANRHFSA-N 0 1 349.478 2.912 20 10 EFCDMN C[C@@H](CO)[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC1CCC1 ZINC000809664751 1282393301 /nfs/dbraw/zinc/39/33/01/1282393301.db2.gz 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ZINC000815576824 1287609138 /nfs/dbraw/zinc/60/91/38/1287609138.db2.gz ZFYXPPBRBPMGHO-CHWSQXEVSA-N 0 1 345.409 2.698 20 10 EFCDMN C[C@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])N1CCN(C)CC1 ZINC000815576825 1287609331 /nfs/dbraw/zinc/60/93/31/1287609331.db2.gz ZFYXPPBRBPMGHO-OLZOCXBDSA-N 0 1 345.409 2.698 20 10 EFCDMN Cn1cncc1CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000810159766 1282992083 /nfs/dbraw/zinc/99/20/83/1282992083.db2.gz HPPPRESUUIGAGG-UHFFFAOYSA-N 0 1 329.404 2.608 20 10 EFCDMN CC[C@@H]([NH2+]CCCS(C)(=O)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810216278 1283044011 /nfs/dbraw/zinc/04/40/11/1283044011.db2.gz SIABNBXXHYKMQH-GFCCVEGCSA-N 0 1 339.379 2.886 20 10 EFCDMN CC[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220272 1283048324 /nfs/dbraw/zinc/04/83/24/1283048324.db2.gz TUJBZOYAKKYGDA-ZFWWWQNUSA-N 0 1 343.349 2.919 20 10 EFCDMN CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810238082 1283088572 /nfs/dbraw/zinc/08/85/72/1283088572.db2.gz XXWIKPGSKCWGED-ZFWWWQNUSA-N 0 1 332.366 2.518 20 10 EFCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000715818093 1284368873 /nfs/dbraw/zinc/36/88/73/1284368873.db2.gz XVIGUDRAQWOJAM-AWEZNQCLSA-N 0 1 330.197 2.906 20 10 EFCDMN Cc1cnn([C@H]2CCN(Cc3ccc(N4CCOCC4)c(F)c3)C2)c1 ZINC000811521027 1284372248 /nfs/dbraw/zinc/37/22/48/1284372248.db2.gz XJDVXTGAAVDEKE-KRWDZBQOSA-N 0 1 344.434 2.614 20 10 EFCDMN NC(=O)c1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000813685009 1286063936 /nfs/dbraw/zinc/06/39/36/1286063936.db2.gz ANQBCOSUIJMMLN-UHFFFAOYSA-N 0 1 339.178 2.728 20 10 EFCDMN CN(Cc1cccc(Br)c1O)[C@@H]1CC(C)(C)OC1=O ZINC000814181346 1286386965 /nfs/dbraw/zinc/38/69/65/1286386965.db2.gz YVDGXXOOOHYGFE-LLVKDONJSA-N 0 1 328.206 2.681 20 10 EFCDMN COc1cccc2c1C[C@@H](N1CCCc3cc(O)c(O)cc3C1)CO2 ZINC001173167894 1286464748 /nfs/dbraw/zinc/46/47/48/1286464748.db2.gz LRJIBHHJURVAID-OAHLLOKOSA-N 0 1 341.407 2.858 20 10 EFCDMN COc1ccc(N2CCC(NC(=O)c3ccc(F)cc3O)CC2)cc1 ZINC000123638121 1287079333 /nfs/dbraw/zinc/07/93/33/1287079333.db2.gz OQISYRGHSGQCDZ-UHFFFAOYSA-N 0 1 344.386 2.939 20 10 EFCDMN CCN(CC)C(=O)N1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816485480 1288157293 /nfs/dbraw/zinc/15/72/93/1288157293.db2.gz OMLNWLPJQCPYGK-UHFFFAOYSA-N 0 1 343.830 2.764 20 10 EFCDMN CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816496301 1288163568 /nfs/dbraw/zinc/16/35/68/1288163568.db2.gz DRKAYCZARBVPTJ-GOSISDBHSA-N 0 1 347.455 2.780 20 10 EFCDMN CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816496301 1288163571 /nfs/dbraw/zinc/16/35/71/1288163571.db2.gz DRKAYCZARBVPTJ-GOSISDBHSA-N 0 1 347.455 2.780 20 10 EFCDMN COC(=O)CC[N@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@H]1CCCO1 ZINC000816513568 1288183882 /nfs/dbraw/zinc/18/38/82/1288183882.db2.gz UXUHEYMTTBPFQJ-GFCCVEGCSA-N 0 1 345.798 2.729 20 10 EFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H](C1CC1)C1(CO)CCOCC1 ZINC000816656994 1288230286 /nfs/dbraw/zinc/23/02/86/1288230286.db2.gz IBLCAFSYMVKENB-INIZCTEOSA-N 0 1 325.836 2.703 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000816656077 1288230375 /nfs/dbraw/zinc/23/03/75/1288230375.db2.gz DMGZRUBFBNOWLA-KRWDZBQOSA-N 0 1 348.399 2.700 20 10 EFCDMN CC[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1cc(Br)ccc1[O-] ZINC000817585578 1288665086 /nfs/dbraw/zinc/66/50/86/1288665086.db2.gz GUKCYWZDGJLWGM-GFCCVEGCSA-N 0 1 341.249 2.851 20 10 EFCDMN CON1CCC([NH2+][C@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000817588763 1288666145 /nfs/dbraw/zinc/66/61/45/1288666145.db2.gz RCGVOQYFHLROBE-SNVBAGLBSA-N 0 1 329.238 2.831 20 10 EFCDMN CN1CCCC[C@H]1C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001178701852 1288877555 /nfs/dbraw/zinc/87/75/55/1288877555.db2.gz PEHKLSICYRAPSK-AWEZNQCLSA-N 0 1 333.819 2.694 20 10 EFCDMN CC/C(C)=C/C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000822238119 1288913747 /nfs/dbraw/zinc/91/37/47/1288913747.db2.gz TXFOJLBYLPXYLD-WUKNDPDISA-N 0 1 345.487 2.680 20 10 EFCDMN COC(=O)c1c(CN2CC[C@]3(CCCO3)C2)c2ccccc2n1C ZINC001232401973 1312694291 /nfs/dbraw/zinc/69/42/91/1312694291.db2.gz HFVWGBRFOVDGEJ-LJQANCHMSA-N 0 1 328.412 2.720 20 10 EFCDMN COC(=O)c1c(CN2CCC[C@@H](C(C)=O)C2)c2ccccc2n1C ZINC001232405176 1312694950 /nfs/dbraw/zinc/69/49/50/1312694950.db2.gz HQLWHWMSHNVJPT-CQSZACIVSA-N 0 1 328.412 2.766 20 10 EFCDMN Cc1cc(O)c(C[N@H+]2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)cc1C ZINC000872755561 1289361771 /nfs/dbraw/zinc/36/17/71/1289361771.db2.gz LPKIASAGOMMQJI-OAHLLOKOSA-N 0 1 330.350 2.652 20 10 EFCDMN COc1ccc(CN[C@@H]2c3ccccc3C[C@@H]2O)cc1Cn1cccn1 ZINC000873021170 1289524636 /nfs/dbraw/zinc/52/46/36/1289524636.db2.gz JOLCVDQGFIDPHQ-PZJWPPBQSA-N 0 1 349.434 2.688 20 10 EFCDMN COc1ccc(CN[C@H](CO)c2ccccc2)cc1Cn1cccn1 ZINC000873051455 1289540979 /nfs/dbraw/zinc/54/09/79/1289540979.db2.gz CNAPKKNZMLIZBL-LJQANCHMSA-N 0 1 337.423 2.763 20 10 EFCDMN CN(Cc1ccccc1O)C(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000824167611 1289559095 /nfs/dbraw/zinc/55/90/95/1289559095.db2.gz UUXRCOSGLWMTSA-GOSISDBHSA-N 0 1 339.439 2.808 20 10 EFCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c1 ZINC000247095867 1289930500 /nfs/dbraw/zinc/93/05/00/1289930500.db2.gz WANPVSTVOVBUDA-CABCVRRESA-N 0 1 346.471 2.657 20 10 EFCDMN COc1cc(CN2CCC[C@](O)(C(F)(F)F)[C@H](C)C2)cc(O)c1O ZINC001204342874 1290203333 /nfs/dbraw/zinc/20/33/33/1290203333.db2.gz NWENGVCENBGVNJ-MEBBXXQBSA-N 0 1 349.349 2.632 20 10 EFCDMN COc1cc(CN(C)Cc2ccc3c(c2)OCCO3)cc(O)c1O ZINC001204343418 1290208925 /nfs/dbraw/zinc/20/89/25/1290208925.db2.gz PUHGNHWMENOAKY-UHFFFAOYSA-N 0 1 331.368 2.510 20 10 EFCDMN CN(C)c1ccc(CN2CC3(CCN3Cc3ccccc3)C2)c(O)c1 ZINC001232838299 1312792645 /nfs/dbraw/zinc/79/26/45/1312792645.db2.gz CTGMXBYEAGNKKN-UHFFFAOYSA-N 0 1 337.467 2.919 20 10 EFCDMN CC1=NO[C@@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000875960257 1290731424 /nfs/dbraw/zinc/73/14/24/1290731424.db2.gz FHCGOVCIZIHKKP-SNVBAGLBSA-N 0 1 332.187 2.663 20 10 EFCDMN CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000092456498 1290755861 /nfs/dbraw/zinc/75/58/61/1290755861.db2.gz XUINMWYDGSYODL-JTQLQIEISA-N 0 1 342.779 2.729 20 10 EFCDMN CCCN(Cc1ccccc1O)C(=O)[C@@H](N)Cc1cccc(OC)c1 ZINC000876632654 1290961006 /nfs/dbraw/zinc/96/10/06/1290961006.db2.gz MHCOCBBFYWQVED-SFHVURJKSA-N 0 1 342.439 2.709 20 10 EFCDMN C[N@H+](Cc1ccc(I)cc1[O-])[C@H]1CCCOC1 ZINC001232978181 1312824378 /nfs/dbraw/zinc/82/43/78/1312824378.db2.gz ZGIBJUXQQOJHQI-LBPRGKRZSA-N 0 1 347.196 2.608 20 10 EFCDMN C[N@@H+](Cc1ccc(I)cc1[O-])[C@H]1CCCOC1 ZINC001232978181 1312824380 /nfs/dbraw/zinc/82/43/80/1312824380.db2.gz ZGIBJUXQQOJHQI-LBPRGKRZSA-N 0 1 347.196 2.608 20 10 EFCDMN Oc1cc(I)ccc1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001232980911 1312824951 /nfs/dbraw/zinc/82/49/51/1312824951.db2.gz YEZHFJSRPUNWDE-DLOVCJGASA-N 0 1 347.171 2.929 20 10 EFCDMN Cc1ccc(CNc2cccc(CN3CCC[C@H]3C(N)=O)c2)c(O)c1 ZINC000876844815 1291045442 /nfs/dbraw/zinc/04/54/42/1291045442.db2.gz JGKFCAWOHWSSIR-SFHVURJKSA-N 0 1 339.439 2.762 20 10 EFCDMN Cc1cccc(O)c1CNc1cccc(CN2CCC[C@@H]2C(N)=O)c1 ZINC000876845250 1291046058 /nfs/dbraw/zinc/04/60/58/1291046058.db2.gz 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EFCDMN C[C@H]1C[NH2+]CC[C@@H]1Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001218421384 1315193185 /nfs/dbraw/zinc/19/31/85/1315193185.db2.gz WBQBNJIFQIOWTP-ZBEGNZNMSA-N 0 1 337.375 2.544 20 10 EFCDMN COC(=O)C1=C[C@@H](Oc2ccc(N)cc2)CN(Cc2ccccc2)C1 ZINC001218447883 1315196983 /nfs/dbraw/zinc/19/69/83/1315196983.db2.gz KZKDEYCTWWOIGQ-LJQANCHMSA-N 0 1 338.407 2.631 20 10 EFCDMN CCc1ccc(CN2CC3(CCN3Cc3cccc(=O)[nH]3)C2)c(O)c1 ZINC001276805426 1315317818 /nfs/dbraw/zinc/31/78/18/1315317818.db2.gz WXPSNUXDAPRDRY-UHFFFAOYSA-N 0 1 339.439 2.516 20 10 EFCDMN Oc1cc(-c2nc3cc(F)c(-n4ccnc4)cc3[nH]2)cc(O)c1O ZINC001251248511 1315334834 /nfs/dbraw/zinc/33/48/34/1315334834.db2.gz VGIHPPHNBIFVOX-UHFFFAOYSA-N 0 1 326.287 2.672 20 10 EFCDMN Cc1ccc2nc(-c3ccc(N4CCS(=O)(=O)CC4)cc3)[nH]c2c1 ZINC001251554150 1315354133 /nfs/dbraw/zinc/35/41/33/1315354133.db2.gz HSDUQAOPBRNXLO-UHFFFAOYSA-N 0 1 341.436 2.773 20 10 EFCDMN Cc1cc(C)c(CNC(=O)[C@H]2CC[C@@H](C(F)(F)F)CN2)c(O)c1 ZINC001220826031 1315454341 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O=S(=O)(Nc1cccc(O)c1O)c1cccc(C(F)(F)F)c1 ZINC001254284487 1315690926 /nfs/dbraw/zinc/69/09/26/1315690926.db2.gz UJYCWTDXSDOZEX-UHFFFAOYSA-N 0 1 333.287 2.917 20 10 EFCDMN CC(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2F)ccc1O ZINC001256067459 1315898895 /nfs/dbraw/zinc/89/88/95/1315898895.db2.gz OYQLLVNYDRLEGT-UHFFFAOYSA-N 0 1 327.308 2.674 20 10 EFCDMN COc1ccc(N2CCN([C@H](C)Cc3ccncc3)CC2)c(OC)c1 ZINC001256756061 1315990111 /nfs/dbraw/zinc/99/01/11/1315990111.db2.gz ZVERZGDIVYGSBT-MRXNPFEDSA-N 0 1 341.455 2.852 20 10 EFCDMN CCOC(=O)[C@H]1CC[C@@H](N2CCN(c3ccc(OC)cc3C)CC2)C1 ZINC001257067203 1316029381 /nfs/dbraw/zinc/02/93/81/1316029381.db2.gz DESHIQCWPVYCHF-DLBZAZTESA-N 0 1 346.471 2.857 20 10 EFCDMN CCOC(=O)[C@@H]1CC[C@@H](N2CCN(c3ccc(OCC)cc3)CC2)C1 ZINC001257073249 1316030701 /nfs/dbraw/zinc/03/07/01/1316030701.db2.gz YKVIAVRRPHSYHT-SJLPKXTDSA-N 0 1 346.471 2.939 20 10 EFCDMN COc1ccc(N2CCN([C@@H](C)Cc3cccnc3)CC2)c(OC)c1 ZINC001258630642 1316168218 /nfs/dbraw/zinc/16/82/18/1316168218.db2.gz CGDJBIHQYXNQEH-INIZCTEOSA-N 0 1 341.455 2.852 20 10 EFCDMN Cc1ccc(S(=O)(=O)Nc2cccc(O)c2O)c2ccncc12 ZINC001260093747 1316315192 /nfs/dbraw/zinc/31/51/92/1316315192.db2.gz NLZJJPPJIIZMAR-UHFFFAOYSA-N 0 1 330.365 2.755 20 10 EFCDMN C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1c([O-])cccc1Br ZINC001261814133 1316432188 /nfs/dbraw/zinc/43/21/88/1316432188.db2.gz QTIZEMDOIHALHC-QMTHXVAHSA-N 0 1 325.250 2.727 20 10 EFCDMN COCCn1c(C)c(C)c2cc(C(=O)NCCN3CC=CC3)ccc21 ZINC001318838274 1328717317 /nfs/dbraw/zinc/71/73/17/1328717317.db2.gz ALDZCEBPSDOYMQ-UHFFFAOYSA-N 0 1 341.455 2.506 20 10 EFCDMN CC(C)(C)N1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC001319301972 1328838826 /nfs/dbraw/zinc/83/88/26/1328838826.db2.gz HSSVBXVZHCMCKB-UHFFFAOYSA-N 0 1 344.503 2.913 20 10 EFCDMN Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2c([O-])cccc2Cl)cn1 ZINC001319971991 1329046742 /nfs/dbraw/zinc/04/67/42/1329046742.db2.gz CPPVXKCPKUDDTP-DYVFJYSZSA-N 0 1 335.835 2.867 20 10 EFCDMN Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2c([O-])cccc2Cl)cn1 ZINC001319971991 1329046747 /nfs/dbraw/zinc/04/67/47/1329046747.db2.gz CPPVXKCPKUDDTP-DYVFJYSZSA-N 0 1 335.835 2.867 20 10 EFCDMN CCN(CC)c1ccc(C[N@@H+](CCC(=O)[O-])C[C@@H]2CCCO2)cc1 ZINC000901681400 1324754396 /nfs/dbraw/zinc/75/43/96/1324754396.db2.gz LQFXQELXKNGWJJ-SFHVURJKSA-N 0 1 334.460 2.989 20 10 EFCDMN CN1CCN(c2ccc(C[NH2+][C@@]3(C)CCCC[C@@H]3C(=O)[O-])cc2)CC1 ZINC000901825005 1324758638 /nfs/dbraw/zinc/75/86/38/1324758638.db2.gz UJEGYBDTGFXIJB-QUCCMNQESA-N 0 1 345.487 2.562 20 10 EFCDMN Cc1oc(CNC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1C(=O)[O-] ZINC000905811666 1324942138 /nfs/dbraw/zinc/94/21/38/1324942138.db2.gz ZHFRISLCVQAXML-GOSISDBHSA-N 0 1 345.443 2.745 20 10 EFCDMN C[C@H]([NH2+]CCN1CCC(CO)CC1)c1ccc2ccccc2c1[O-] ZINC001321024677 1329332376 /nfs/dbraw/zinc/33/23/76/1329332376.db2.gz UGQVTTQQBZCVMJ-HNNXBMFYSA-N 0 1 328.456 2.900 20 10 EFCDMN Cc1cc(N(C)C)ccc1CNC(=O)N1CCN(C(C)(C)C)CC1 ZINC001321867207 1329413914 /nfs/dbraw/zinc/41/39/14/1329413914.db2.gz OTQNJFMCLRWSRU-UHFFFAOYSA-N 0 1 332.492 2.687 20 10 EFCDMN Cc1cc(C(=O)NCCN2CC=CC2)c(C)n1-c1ccc(F)cc1 ZINC001322074766 1329426621 /nfs/dbraw/zinc/42/66/21/1329426621.db2.gz HHCBHEJWPUMVGI-UHFFFAOYSA-N 0 1 327.403 2.835 20 10 EFCDMN CN1CCN(c2ccc(C[NH2+]CCCCCCC(=O)[O-])cc2)CC1 ZINC001326198469 1329738118 /nfs/dbraw/zinc/73/81/18/1329738118.db2.gz GWLHJAYMHRJFDI-UHFFFAOYSA-N 0 1 333.476 2.563 20 10 EFCDMN CN(C)c1cc(F)c(CN2CCC[C@H](C(=O)NC3CC3)C2)cc1F ZINC001329053472 1330661479 /nfs/dbraw/zinc/66/14/79/1330661479.db2.gz PIEQFIZWWPTEFN-LBPRGKRZSA-N 0 1 337.414 2.521 20 10 EFCDMN Cc1cc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)cnc1F ZINC001333658238 1331189369 /nfs/dbraw/zinc/18/93/69/1331189369.db2.gz OPBAOMVXPVLGRF-UHFFFAOYSA-N 0 1 347.409 2.919 20 10 EFCDMN COc1ccc(CN2CCCC[C@@H]2c2ccnn2C)c(O)c1OC ZINC001334268637 1331275101 /nfs/dbraw/zinc/27/51/01/1331275101.db2.gz ALOREUMRBWLUGS-OAHLLOKOSA-N 0 1 331.416 2.870 20 10 EFCDMN Nc1ccc(CN(CCO)Cc2cnn(Cc3ccccc3)c2)cc1 ZINC001334774816 1331305547 /nfs/dbraw/zinc/30/55/47/1331305547.db2.gz OYYDQWMNVRAXKF-UHFFFAOYSA-N 0 1 336.439 2.508 20 10 EFCDMN CC[C@@H](F)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001335855977 1331410807 /nfs/dbraw/zinc/41/08/07/1331410807.db2.gz QBEBJVKTMPMVTE-ZIAGYGMSSA-N 0 1 328.815 2.874 20 10 EFCDMN Nc1ccc(CNC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC001335911880 1331415969 /nfs/dbraw/zinc/41/59/69/1331415969.db2.gz RPZHPLLMCBNPST-KRWDZBQOSA-N 0 1 342.443 2.888 20 10 EFCDMN CN(C)[C@@H](CNC(=O)NCc1ccc(N)cc1)c1ccc(F)cc1 ZINC001335952072 1331419990 /nfs/dbraw/zinc/41/99/90/1331419990.db2.gz RNQSHDDODWTIBL-KRWDZBQOSA-N 0 1 330.407 2.510 20 10 EFCDMN CN1CCC(N2C(=O)/C(=C/c3ncccc3F)SC2=S)CC1 ZINC001336359750 1331463773 /nfs/dbraw/zinc/46/37/73/1331463773.db2.gz BKEXSDNQDVJKBD-LCYFTJDESA-N 0 1 337.445 2.516 20 10 EFCDMN COc1cc(CN2CCN(Cc3ccc(N)cc3)CC2)cc(OC)c1 ZINC001337837562 1331603423 /nfs/dbraw/zinc/60/34/23/1331603423.db2.gz CJPIVMHJVXIZOZ-UHFFFAOYSA-N 0 1 341.455 2.604 20 10 EFCDMN C[C@H]1[C@H](NC(=O)NCc2ccc(N)cc2)CC[N@H+]1Cc1ccccc1 ZINC001338608290 1331719404 /nfs/dbraw/zinc/71/94/04/1331719404.db2.gz PKZLKJGPMAXYDZ-HNAYVOBHSA-N 0 1 338.455 2.731 20 10 EFCDMN Cc1oc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1C(=O)[O-] ZINC001339119306 1331795307 /nfs/dbraw/zinc/79/53/07/1331795307.db2.gz XMCGQNQWPOGULT-UHFFFAOYSA-N 0 1 344.411 2.755 20 10 EFCDMN CC(C)CNC(=O)CNCc1ccc(N(C)C)cc1C(F)(F)F ZINC001339599998 1331908254 /nfs/dbraw/zinc/90/82/54/1331908254.db2.gz QSMMSTLZEFMGGC-UHFFFAOYSA-N 0 1 331.382 2.633 20 10 EFCDMN CCOc1ccc(N2CCN(CCC(=O)NC3CCCC3)CC2)cc1 ZINC001341378137 1332255605 /nfs/dbraw/zinc/25/56/05/1332255605.db2.gz XJMJDXQZMRYCDP-UHFFFAOYSA-N 0 1 345.487 2.656 20 10 EFCDMN C[C@H](CCCCC(=O)[O-])[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001343648123 1332365973 /nfs/dbraw/zinc/36/59/73/1332365973.db2.gz LQLILXJAKAIZJR-MRXNPFEDSA-N 0 1 333.476 2.562 20 10 EFCDMN FC(F)(F)[C@@H](CNCc1ccc(N2CCCC2)cc1)n1cncn1 ZINC001348550807 1332847467 /nfs/dbraw/zinc/84/74/67/1332847467.db2.gz WGZJGRRNWGOEHQ-OAHLLOKOSA-N 0 1 339.365 2.772 20 10 EFCDMN CCO/C=C/C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000847590970 1333962184 /nfs/dbraw/zinc/96/21/84/1333962184.db2.gz LTEWOCRVTSRUCV-LOWQCSRCSA-N 0 1 338.835 2.676 20 10 EFCDMN CCO/C=C/C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000847590970 1333962189 /nfs/dbraw/zinc/96/21/89/1333962189.db2.gz LTEWOCRVTSRUCV-LOWQCSRCSA-N 0 1 338.835 2.676 20 10 EFCDMN CCO/C=C/C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000847590970 1333962193 /nfs/dbraw/zinc/96/21/93/1333962193.db2.gz LTEWOCRVTSRUCV-LOWQCSRCSA-N 0 1 338.835 2.676 20 10 EFCDMN CCN(CC)c1ccc(CNC(=O)c2conc2C(C)(C)N)cc1F ZINC000848413725 1334712519 /nfs/dbraw/zinc/71/25/19/1334712519.db2.gz JGJHSAFBSNPRGT-UHFFFAOYSA-N 0 1 348.422 2.784 20 10 EFCDMN OCC1CCN(c2ccc(CN[C@@H]3CCCn4ccnc43)cc2)CC1 ZINC000848526590 1334775586 /nfs/dbraw/zinc/77/55/86/1334775586.db2.gz BRCHDSVIDJAHIQ-LJQANCHMSA-N 0 1 340.471 2.717 20 10 EFCDMN COc1cc(Br)cc(C[N@@H+](C[C@H](C)O)C2CC2)c1O ZINC000848928886 1334994023 /nfs/dbraw/zinc/99/40/23/1334994023.db2.gz PVWFSRMOAZIPKU-VIFPVBQESA-N 0 1 330.222 2.509 20 10 EFCDMN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1C[C@@H](C)Cc2cn[nH]c21 ZINC000935945051 1335464189 /nfs/dbraw/zinc/46/41/89/1335464189.db2.gz ITUCCNPKQHGOST-WCQYABFASA-N 0 1 334.416 2.583 20 10 EFCDMN C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1cc(Cl)ccc1O ZINC000825975953 1425167651 /nfs/dbraw/zinc/16/76/51/1425167651.db2.gz CBLMGRGBJBMCAG-UHFFFAOYSA-N 0 1 329.791 2.858 20 10 EFCDMN CC[C@H]([NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1O ZINC000825146182 1426313957 /nfs/dbraw/zinc/31/39/57/1426313957.db2.gz ABYIYUJVQKHFQU-HNNXBMFYSA-N 0 1 339.399 2.822 20 10 EFCDMN COc1cc(C)cc(C[N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)c1O ZINC000826177931 1443147838 /nfs/dbraw/zinc/14/78/38/1443147838.db2.gz BIQOLOWALXWUML-UHFFFAOYSA-N 0 1 339.399 2.521 20 10 EFCDMN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000160162394 712907775 /nfs/dbraw/zinc/90/77/75/712907775.db2.gz WXOPJPMCCRUMIY-SFHVURJKSA-N 0 1 332.492 2.543 20 10 EFCDMN Cc1cc(N(C)C)ccc1CNC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000160162394 712907777 /nfs/dbraw/zinc/90/77/77/712907777.db2.gz WXOPJPMCCRUMIY-SFHVURJKSA-N 0 1 332.492 2.543 20 10 EFCDMN CN1CCN(c2ccc(CNC(=O)c3cccc(F)c3)cc2)CC1 ZINC000049740623 713446701 /nfs/dbraw/zinc/44/67/01/713446701.db2.gz HGDYQTBVBXFSIC-UHFFFAOYSA-N 0 1 327.403 2.508 20 10 EFCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CC[C@H](C)[C@@H]2C)c1 ZINC000247095883 713454492 /nfs/dbraw/zinc/45/44/92/713454492.db2.gz WANPVSTVOVBUDA-GJZGRUSLSA-N 0 1 346.471 2.657 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3C3CC3)cc2F)CC1 ZINC000177202494 717940484 /nfs/dbraw/zinc/94/04/84/717940484.db2.gz MJIHIVTXNRSUBN-IAGOWNOFSA-N 0 1 345.462 2.630 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H]3C3CC3)cc2F)CC1 ZINC000177202507 717940742 /nfs/dbraw/zinc/94/07/42/717940742.db2.gz MJIHIVTXNRSUBN-SJORKVTESA-N 0 1 345.462 2.630 20 10 EFCDMN CN(C)c1ccc([C@H](CNC(=O)C2(C)CCC(=O)CC2)N(C)C)cc1 ZINC000891247354 714135393 /nfs/dbraw/zinc/13/53/93/714135393.db2.gz JCDFWOVWKSDPGD-SFHVURJKSA-N 0 1 345.487 2.621 20 10 EFCDMN CC(C)OC(=O)CCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804861020 714259324 /nfs/dbraw/zinc/25/93/24/714259324.db2.gz SJAUTUZZPSMSHJ-UHFFFAOYSA-N 0 1 349.214 2.840 20 10 EFCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc[nH]c1 ZINC000134263850 714286084 /nfs/dbraw/zinc/28/60/84/714286084.db2.gz QFKBSZDIBYZOMR-OAHLLOKOSA-N 0 1 333.819 2.768 20 10 EFCDMN COc1ccc2c(c1)CN(Cc1ccc(OC)c(OC)c1O)CC2 ZINC000891808504 715032291 /nfs/dbraw/zinc/03/22/91/715032291.db2.gz FPQFFQAZJGMYLW-UHFFFAOYSA-N 0 1 329.396 2.976 20 10 EFCDMN CCCN(Cc1ccc(N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000161115412 715279681 /nfs/dbraw/zinc/27/96/81/715279681.db2.gz SURYLPRKADMDOB-SFHVURJKSA-N 0 1 338.517 2.932 20 10 EFCDMN O=C(c1ccccn1)N1CCN(Cc2c(O)ccc3ccccc32)CC1 ZINC000026634113 715465870 /nfs/dbraw/zinc/46/58/70/715465870.db2.gz SWXCTYFOAMQVOQ-UHFFFAOYSA-N 0 1 347.418 2.898 20 10 EFCDMN CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000104328959 716032445 /nfs/dbraw/zinc/03/24/45/716032445.db2.gz GZGKYDSCJGPDGV-LPHOPBHVSA-N 0 1 345.487 2.575 20 10 EFCDMN CCOc1cccc(CNc2ccc(N3CCN(C)CC3)nc2)c1O ZINC000162880334 716921241 /nfs/dbraw/zinc/92/12/41/716921241.db2.gz TYOSSPTVIGZMQF-UHFFFAOYSA-N 0 1 342.443 2.550 20 10 EFCDMN COc1c(O)ccc(CNCc2ccc(N(C)C)cc2)c1[N+](=O)[O-] ZINC000892475460 717830614 /nfs/dbraw/zinc/83/06/14/717830614.db2.gz IEZMRZPQPXGZET-UHFFFAOYSA-N 0 1 331.372 2.665 20 10 EFCDMN Cn1ncc(CNCc2ccc(N3CCOCC3)c(F)c2)c1C1CC1 ZINC000892621558 718349749 /nfs/dbraw/zinc/34/97/49/718349749.db2.gz KZKLYPKPKSYPHF-UHFFFAOYSA-N 0 1 344.434 2.563 20 10 EFCDMN CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000840891450 718941794 /nfs/dbraw/zinc/94/17/94/718941794.db2.gz TYNYETPDQZHSKS-UWVGGRQHSA-N 0 1 329.238 2.718 20 10 EFCDMN CN1CCC[C@H](C[N@H+](C)Cc2cccc(Br)c2[O-])C1 ZINC000092253705 726073111 /nfs/dbraw/zinc/07/31/11/726073111.db2.gz RSUGHGQOBWFKRP-LBPRGKRZSA-N 0 1 327.266 2.928 20 10 EFCDMN CN1CCC[C@H](C[N@@H+](C)Cc2cccc(Br)c2[O-])C1 ZINC000092253705 726073114 /nfs/dbraw/zinc/07/31/14/726073114.db2.gz RSUGHGQOBWFKRP-LBPRGKRZSA-N 0 1 327.266 2.928 20 10 EFCDMN Cc1ccc(CC(=O)N2CCN(Cc3cccc(C)c3O)CC2)cc1 ZINC000180010629 719884195 /nfs/dbraw/zinc/88/41/95/719884195.db2.gz VDWAHZAWFBFPLZ-UHFFFAOYSA-N 0 1 338.451 2.896 20 10 EFCDMN CN(C)[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1cccs1 ZINC000180596000 719953062 /nfs/dbraw/zinc/95/30/62/719953062.db2.gz BLSWDYJULYCGPE-CFNZNRNTSA-N 0 1 332.425 2.592 20 10 EFCDMN CCN(CC)[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccco1 ZINC000180714747 719966001 /nfs/dbraw/zinc/96/60/01/719966001.db2.gz FVMPKXWFPBBXKU-TUPIDYKKSA-N 0 1 344.411 2.903 20 10 EFCDMN COc1cc(C)cc(CN2CCC[C@@H]2C(=O)NCc2ccco2)c1O ZINC000893925846 720164369 /nfs/dbraw/zinc/16/43/69/720164369.db2.gz SBWBDRHSENPFLJ-MRXNPFEDSA-N 0 1 344.411 2.583 20 10 EFCDMN COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000893949554 720179568 /nfs/dbraw/zinc/17/95/68/720179568.db2.gz NEDCGQZGIRLNLP-QMMMGPOBSA-N 0 1 348.624 2.803 20 10 EFCDMN O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2cc(F)cc(F)c2[O-])CCN1 ZINC000893966691 720187868 /nfs/dbraw/zinc/18/78/68/720187868.db2.gz SPANMKDHUMWABP-INIZCTEOSA-N 0 1 332.350 2.734 20 10 EFCDMN C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2cc(F)cc(F)c2[O-])C[C@H](C)O1 ZINC000893975414 720192303 /nfs/dbraw/zinc/19/23/03/720192303.db2.gz ADOOJWYDIVOFQY-DVOMOZLQSA-N 0 1 340.414 2.744 20 10 EFCDMN O=C(C1CCCCC1)N1CCN(Cc2cc(F)cc(F)c2O)CC1 ZINC000893977582 720194077 /nfs/dbraw/zinc/19/40/77/720194077.db2.gz GAVQIUIMCUEBPI-UHFFFAOYSA-N 0 1 338.398 2.895 20 10 EFCDMN CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000893983634 720203749 /nfs/dbraw/zinc/20/37/49/720203749.db2.gz DILQHZRLEBZECB-LBPRGKRZSA-N 0 1 326.387 2.799 20 10 EFCDMN CC[C@H](C)c1nc([C@H](C)NCc2ccc(OC)c(OC)c2O)n[nH]1 ZINC000894010960 720212097 /nfs/dbraw/zinc/21/20/97/720212097.db2.gz YSXJHAABBTVXOH-QWRGUYRKSA-N 0 1 334.420 2.892 20 10 EFCDMN Oc1c(F)cc(F)cc1CN1CCN(CC(F)(F)C(F)F)CC1 ZINC000894028380 720239591 /nfs/dbraw/zinc/23/95/91/720239591.db2.gz WLYAXKKEXBDWJK-UHFFFAOYSA-N 0 1 342.283 2.688 20 10 EFCDMN CN(C)c1ccc(CNC(=O)c2ccc(-c3nnc[nH]3)cc2)cc1F ZINC000185091628 720394305 /nfs/dbraw/zinc/39/43/05/720394305.db2.gz CATNTYDVGFOGRG-UHFFFAOYSA-N 0 1 339.374 2.607 20 10 EFCDMN CC[C@@H](F)CN1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028344862 720530510 /nfs/dbraw/zinc/53/05/10/720530510.db2.gz QCQJAPAQBOKXRU-UKRRQHHQSA-N 0 1 349.410 2.791 20 10 EFCDMN COC[C@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@H](C)O1 ZINC000894535051 722774878 /nfs/dbraw/zinc/77/48/78/722774878.db2.gz WJOLIVBOLPWCNN-JOYOIKCWSA-N 0 1 348.212 2.530 20 10 EFCDMN CC(C)c1ccnc(N2CCN(Cc3cc(F)cc(F)c3O)CC2)n1 ZINC000894474168 722750726 /nfs/dbraw/zinc/75/07/26/722750726.db2.gz PHFPNHYMAWCMOL-UHFFFAOYSA-N 0 1 348.397 2.906 20 10 EFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000894748823 722833800 /nfs/dbraw/zinc/83/38/00/722833800.db2.gz XFTZEAUPBFQHIB-GXSJLCMTSA-N 0 1 325.277 2.663 20 10 EFCDMN CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894740154 722834364 /nfs/dbraw/zinc/83/43/64/722834364.db2.gz PPXLWDHZRAJUBV-CYBMUJFWSA-N 0 1 328.359 2.771 20 10 EFCDMN [O-]c1ccc(Br)cc1C[NH2+]CCO[C@@H]1CCCCO1 ZINC000894798313 722850084 /nfs/dbraw/zinc/85/00/84/722850084.db2.gz BCHVFJPSERBMHR-CQSZACIVSA-N 0 1 330.222 2.788 20 10 EFCDMN CN(Cc1cc(Br)cc(F)c1O)[C@@H]1CC(C)(C)OC1=O ZINC000894849901 722894366 /nfs/dbraw/zinc/89/43/66/722894366.db2.gz FINQKVDXQVZJCA-LLVKDONJSA-N 0 1 346.196 2.820 20 10 EFCDMN NC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000895000618 723048579 /nfs/dbraw/zinc/04/85/79/723048579.db2.gz JMPJLYBBRJKVDA-GOSISDBHSA-N 0 1 348.805 2.814 20 10 EFCDMN C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000895015212 723050674 /nfs/dbraw/zinc/05/06/74/723050674.db2.gz UHEQZJGWWZKPIY-ZJUUUORDSA-N 0 1 332.213 2.887 20 10 EFCDMN C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895033208 723055804 /nfs/dbraw/zinc/05/58/04/723055804.db2.gz HDRFZBGTQHEGQC-NXEZZACHSA-N 0 1 332.213 2.744 20 10 EFCDMN COc1ccc(O)c([C@@H](C)NC(=O)c2[nH]nc3c2C[C@@H](C)CC3)c1 ZINC000896165642 723167047 /nfs/dbraw/zinc/16/70/47/723167047.db2.gz XPBOVCKUBSWTAQ-WDEREUQCSA-N 0 1 329.400 2.740 20 10 EFCDMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1csc(-c2ccccn2)n1 ZINC000728696782 724135916 /nfs/dbraw/zinc/13/59/16/724135916.db2.gz DBQDJBHJBVFSJE-GXDHUFHOSA-N 0 1 348.387 2.667 20 10 EFCDMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccc(OC(F)F)c1 ZINC000728697859 724136313 /nfs/dbraw/zinc/13/63/13/724136313.db2.gz XWPGMMCQSBJHBR-GXDHUFHOSA-N 0 1 330.290 2.749 20 10 EFCDMN Cc1cc([O-])c(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)cc1Cl ZINC000897257781 724137620 /nfs/dbraw/zinc/13/76/20/724137620.db2.gz NJMHWTYOIQDQSZ-CQSZACIVSA-N 0 1 325.836 2.860 20 10 EFCDMN CCCC[C@@H](C(=O)OC)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000727585402 724184979 /nfs/dbraw/zinc/18/49/79/724184979.db2.gz AIHQDNGEGMENDX-SFHVURJKSA-N 0 1 334.460 2.939 20 10 EFCDMN CCOC(=O)[C@@H](C[C@@H]1CCCO1)NCc1cc(Cl)c(F)cc1O ZINC000895865752 724360859 /nfs/dbraw/zinc/36/08/59/724360859.db2.gz WBBIZVFCUVMDQI-SMDDNHRTSA-N 0 1 345.798 2.775 20 10 EFCDMN CCOC(=O)[C@H](C[C@H]1CCCO1)NCc1cc(Cl)c(F)cc1O ZINC000895865751 724361085 /nfs/dbraw/zinc/36/10/85/724361085.db2.gz WBBIZVFCUVMDQI-RISCZKNCSA-N 0 1 345.798 2.775 20 10 EFCDMN CCOC(=O)[C@H](C[C@@H]1CCCO1)NCc1c(O)ccc(Cl)c1F ZINC000895866686 724361204 /nfs/dbraw/zinc/36/12/04/724361204.db2.gz YNEZSTQJUCEKCD-GWCFXTLKSA-N 0 1 345.798 2.775 20 10 EFCDMN C[C@@H](NC(=O)[C@@H]1CCN1C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000895895339 724372118 /nfs/dbraw/zinc/37/21/18/724372118.db2.gz UHMJZNYODAFHAT-QAPCUYQASA-N 0 1 345.487 2.573 20 10 EFCDMN Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000840998648 725532296 /nfs/dbraw/zinc/53/22/96/725532296.db2.gz MUIWJPLRHKNAJB-AWEZNQCLSA-N 0 1 328.206 2.760 20 10 EFCDMN Cc1cc(Br)c(O)c(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000840998648 725532300 /nfs/dbraw/zinc/53/23/00/725532300.db2.gz MUIWJPLRHKNAJB-AWEZNQCLSA-N 0 1 328.206 2.760 20 10 EFCDMN CN1CCC[C@@H](C[N@H+](C)Cc2cccc(Br)c2[O-])C1 ZINC000092253706 726073073 /nfs/dbraw/zinc/07/30/73/726073073.db2.gz RSUGHGQOBWFKRP-GFCCVEGCSA-N 0 1 327.266 2.928 20 10 EFCDMN CN1CCC[C@@H](C[N@@H+](C)Cc2cccc(Br)c2[O-])C1 ZINC000092253706 726073076 /nfs/dbraw/zinc/07/30/76/726073076.db2.gz RSUGHGQOBWFKRP-GFCCVEGCSA-N 0 1 327.266 2.928 20 10 EFCDMN COc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1Cl ZINC000741466665 726868373 /nfs/dbraw/zinc/86/83/73/726868373.db2.gz AEYNCZHFIWGBOA-UKTHLTGXSA-N 0 1 328.755 2.810 20 10 EFCDMN O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1=CC(=O)CS1 ZINC000732286196 727016417 /nfs/dbraw/zinc/01/64/17/727016417.db2.gz BUSXSFKBHQMPNP-OAHLLOKOSA-N 0 1 330.453 2.748 20 10 EFCDMN CCN(CC)[C@H](C(=O)NCc1ccc(O)cc1O)c1ccccc1 ZINC000910954755 727472920 /nfs/dbraw/zinc/47/29/20/727472920.db2.gz MKBLQVLUGWQPHQ-SFHVURJKSA-N 0 1 328.412 2.797 20 10 EFCDMN Cc1cc(C(=O)CN2CCCN(C)CC2)c(C)n1-c1ccccc1 ZINC000916644903 727713611 /nfs/dbraw/zinc/71/36/11/727713611.db2.gz BIJPHEHTJDRZJI-UHFFFAOYSA-N 0 1 325.456 2.914 20 10 EFCDMN CC(C)[N@@H+](CC(=O)NC(=O)NC(C)(C)C)Cc1ccc(N(C)C)cc1 ZINC000917074915 727763609 /nfs/dbraw/zinc/76/36/09/727763609.db2.gz LJCACXYTERFWKL-UHFFFAOYSA-N 0 1 348.491 2.587 20 10 EFCDMN Cc1ccc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)cn1 ZINC000154307111 727782140 /nfs/dbraw/zinc/78/21/40/727782140.db2.gz RWSDVBNCSXXESG-ZROIWOOFSA-N 0 1 333.482 2.685 20 10 EFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)c1[O-] ZINC000183160834 727980229 /nfs/dbraw/zinc/98/02/29/727980229.db2.gz IJYPYJZIGQGTAM-XDHUDOTRSA-N 0 1 349.427 2.943 20 10 EFCDMN CC(=O)c1cc(F)cc(CN[C@@H](C[S@](C)=O)c2ccccc2)c1O ZINC000183160834 727980231 /nfs/dbraw/zinc/98/02/31/727980231.db2.gz IJYPYJZIGQGTAM-XDHUDOTRSA-N 0 1 349.427 2.943 20 10 EFCDMN COc1ccc2ccc([O-])c(C[N@H+](C)C[C@H]3CCN(C(C)=O)C3)c2c1 ZINC000165143930 728018395 /nfs/dbraw/zinc/01/83/95/728018395.db2.gz NYWQZMSJMOZQQH-OAHLLOKOSA-N 0 1 342.439 2.854 20 10 EFCDMN COc1ccc2ccc([O-])c(C[N@@H+](C)C[C@H]3CCN(C(C)=O)C3)c2c1 ZINC000165143930 728018400 /nfs/dbraw/zinc/01/84/00/728018400.db2.gz NYWQZMSJMOZQQH-OAHLLOKOSA-N 0 1 342.439 2.854 20 10 EFCDMN Cc1cc(C(=O)NCc2nnc[nH]2)c(C)n1-c1cccc(Cl)c1 ZINC000171852184 728555963 /nfs/dbraw/zinc/55/59/63/728555963.db2.gz LICBYKYBYNKIGZ-UHFFFAOYSA-N 0 1 329.791 2.796 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)[C@H](C)C(C)C)cc2F)CC1 ZINC000171942006 728560535 /nfs/dbraw/zinc/56/05/35/728560535.db2.gz OBVVOCWPKNFHJG-OAHLLOKOSA-N 0 1 335.467 2.876 20 10 EFCDMN COc1cccc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)c1 ZINC000063824441 728649591 /nfs/dbraw/zinc/64/95/91/728649591.db2.gz IGDRRCQUWPKBLD-PTNGSMBKSA-N 0 1 348.493 2.991 20 10 EFCDMN Cc1cc(C(=O)N[C@@H](C)c2nnc[nH]2)c(C)n1-c1ccc(F)cc1 ZINC000174518373 728668238 /nfs/dbraw/zinc/66/82/38/728668238.db2.gz OCFMCFOTEQUIOK-NSHDSACASA-N 0 1 327.363 2.842 20 10 EFCDMN COc1ccc(-n2c(C)cc(C(=O)N3CCN[C@@H](C)C3)c2C)cc1 ZINC000155166914 729131737 /nfs/dbraw/zinc/13/17/37/729131737.db2.gz ULVULYFJQZSESA-ZDUSSCGKSA-N 0 1 327.428 2.537 20 10 EFCDMN Cc1cc(CC(=O)NCc2nnc[nH]2)c(C)n1-c1ccc(Cl)cc1 ZINC000921076251 729257146 /nfs/dbraw/zinc/25/71/46/729257146.db2.gz SQDODLNMRCBFFV-UHFFFAOYSA-N 0 1 343.818 2.725 20 10 EFCDMN CO[C@@H]1CCC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000170842219 729509572 /nfs/dbraw/zinc/50/95/72/729509572.db2.gz SSZGUTZSMBXHMD-OAHLLOKOSA-N 0 1 341.407 2.940 20 10 EFCDMN CO[C@H]1CCC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000170842222 729509751 /nfs/dbraw/zinc/50/97/51/729509751.db2.gz SSZGUTZSMBXHMD-HNNXBMFYSA-N 0 1 341.407 2.940 20 10 EFCDMN COc1ccc(O)c(CN2CCN(Cc3cccc(F)c3)CC2)c1 ZINC000179675965 729607647 /nfs/dbraw/zinc/60/76/47/729607647.db2.gz ZFJGNMBEPCYQPV-UHFFFAOYSA-N 0 1 330.403 2.858 20 10 EFCDMN COc1ccc(F)cc1CN1CCN(Cc2ccccc2O)CC1 ZINC000179887188 729647682 /nfs/dbraw/zinc/64/76/82/729647682.db2.gz 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EFCDMN CN1CCN(c2ccc(CNc3cc4c(nn3)CCCC4)cc2)CC1 ZINC001167430979 1101611548 /nfs/dbraw/zinc/61/15/48/1101611548.db2.gz ACJSTSIMAVDSIX-UHFFFAOYSA-N 0 1 337.471 2.719 20 10 EFCDMN CN1CCN(c2ccc(CNc3ccc4nnccc4c3)cc2)CC1 ZINC001167434535 1101662732 /nfs/dbraw/zinc/66/27/32/1101662732.db2.gz OUYWCQLJDREBRS-UHFFFAOYSA-N 0 1 333.439 2.994 20 10 EFCDMN CC(C)n1cccc(NCc2ccc(N3CCN(C)CC3)cc2)c1=O ZINC001167436834 1101709234 /nfs/dbraw/zinc/70/92/34/1101709234.db2.gz BODHLWBZSNJZJU-UHFFFAOYSA-N 0 1 340.471 2.793 20 10 EFCDMN CN(C)[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000588405794 1101924935 /nfs/dbraw/zinc/92/49/35/1101924935.db2.gz XJFHIAPRLVULDT-AGHZKPIHSA-N 0 1 344.386 2.669 20 10 EFCDMN O=C(C1CC1)N1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000783697175 1103983202 /nfs/dbraw/zinc/98/32/02/1103983202.db2.gz ZCYDDHPFHXNSFS-UHFFFAOYSA-N 0 1 326.799 2.629 20 10 EFCDMN O=C(C1CC1)N1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000783697175 1103983206 /nfs/dbraw/zinc/98/32/06/1103983206.db2.gz 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CC[C@@H]([NH2+][C@@H](C)CC(=O)NC)c1cc(Br)ccc1[O-] ZINC000323066209 1106811277 /nfs/dbraw/zinc/81/12/77/1106811277.db2.gz VFQJAGGLJGXLBT-JOYOIKCWSA-N 0 1 329.238 2.720 20 10 EFCDMN C[C@@]1(O)CCN(Cc2c(O)cc(Br)cc2F)C[C@@H]1F ZINC001233028212 1107546754 /nfs/dbraw/zinc/54/67/54/1107546754.db2.gz KLVBQWSMRLXGES-QWHCGFSZSA-N 0 1 336.176 2.589 20 10 EFCDMN CC(C)=CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(O)ccc2O)C1=O ZINC001272387285 1108152959 /nfs/dbraw/zinc/15/29/59/1108152959.db2.gz VVVFZGZHVPUEDY-IBGZPJMESA-N 0 1 330.428 2.631 20 10 EFCDMN O=C(NCc1cc(Cl)c2cccnc2c1O)[C@H]1CC2CCN1CC2 ZINC001142634936 1109361894 /nfs/dbraw/zinc/36/18/94/1109361894.db2.gz CWOSTIHESSLCNE-OAHLLOKOSA-N 0 1 345.830 2.694 20 10 EFCDMN COCCN1CC[C@@H](NC(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000730785447 1111289986 /nfs/dbraw/zinc/28/99/86/1111289986.db2.gz AXRZPZGWSQNQFT-OAHLLOKOSA-N 0 1 347.484 2.606 20 10 EFCDMN COc1cc(C)cc(CN2CCN(c3ccccc3O)CC2)c1O ZINC000153367050 1111380751 /nfs/dbraw/zinc/38/07/51/1111380751.db2.gz JXRWYGIFXWLUSV-UHFFFAOYSA-N 0 1 328.412 2.737 20 10 EFCDMN O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(Cl)ccc2[O-])N1CC(F)F ZINC001272638801 1111797718 /nfs/dbraw/zinc/79/77/18/1111797718.db2.gz VNTNMZZGSUXYHN-CHWSQXEVSA-N 0 1 344.789 2.876 20 10 EFCDMN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(Cl)ccc2[O-])N1CC(F)F ZINC001272638801 1111797723 /nfs/dbraw/zinc/79/77/23/1111797723.db2.gz VNTNMZZGSUXYHN-CHWSQXEVSA-N 0 1 344.789 2.876 20 10 EFCDMN Oc1c(CNc2cc3c(nn2)CNC3)cc(Cl)c2cccnc12 ZINC001168522962 1112014790 /nfs/dbraw/zinc/01/47/90/1112014790.db2.gz XHYLCRCHUXAFOJ-UHFFFAOYSA-N 0 1 327.775 2.599 20 10 EFCDMN CNC(=O)[C@H]1CC12CCN(Cc1ccc(N(C)C)cc1Cl)CC2 ZINC001272741637 1120189013 /nfs/dbraw/zinc/18/90/13/1120189013.db2.gz FCZRHJPOMXVKLK-OAHLLOKOSA-N 0 1 335.879 2.754 20 10 EFCDMN CCS(=O)(=O)CCN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000163472441 239105633 /nfs/dbraw/zinc/10/56/33/239105633.db2.gz OFGMWIYWMISHOM-CQSZACIVSA-N 0 1 342.480 2.901 20 10 EFCDMN COC(=O)C[C@@](C)(NCc1ccc2c(c1)CCO2)c1ccncc1 ZINC000191902723 240012209 /nfs/dbraw/zinc/01/22/09/240012209.db2.gz BQSSCMPJCTWSAO-LJQANCHMSA-N 0 1 326.396 2.585 20 10 EFCDMN C[C@H](C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-])N1CCN(C)CC1 ZINC000192832440 240067602 /nfs/dbraw/zinc/06/76/02/240067602.db2.gz GSBKAHDGTPWICJ-VXGBXAGGSA-N 0 1 346.302 2.986 20 10 EFCDMN C[S@](=O)C1(C[NH2+]Cc2cc(Br)ccc2[O-])CCC1 ZINC000280585397 240876021 /nfs/dbraw/zinc/87/60/21/240876021.db2.gz HXGVISLRJFMMDU-SFHVURJKSA-N 0 1 332.263 2.546 20 10 EFCDMN CN(C)c1ccc(CNCc2ccc3c(c2)NC(=O)CO3)cc1F ZINC000294226129 241038013 /nfs/dbraw/zinc/03/80/13/241038013.db2.gz MCFPATOEOYOLOC-UHFFFAOYSA-N 0 1 329.375 2.512 20 10 EFCDMN C[C@H](c1cc([N+](=O)[O-])ccc1[O-])[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000296308929 241080956 /nfs/dbraw/zinc/08/09/56/241080956.db2.gz GFTCKYRJMSZUMG-OLZOCXBDSA-N 0 1 349.431 2.975 20 10 EFCDMN CCN1CCN(c2ccc(CNc3cncc(C)n3)cc2F)CC1 ZINC000302212202 241193407 /nfs/dbraw/zinc/19/34/07/241193407.db2.gz HEHYSJIJFOCOND-UHFFFAOYSA-N 0 1 329.423 2.678 20 10 EFCDMN CCN(CC)c1ccc(CNC(=O)NCc2n[nH]c(C(C)C)n2)cc1 ZINC000297540073 241126178 /nfs/dbraw/zinc/12/61/78/241126178.db2.gz ZZXFGJPTOSWVNV-UHFFFAOYSA-N 0 1 344.463 2.774 20 10 EFCDMN O=C(N1CCCC1)N1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000367219737 242377193 /nfs/dbraw/zinc/37/71/93/242377193.db2.gz XZRHIWOOIRKKHK-HNNXBMFYSA-N 0 1 337.851 2.815 20 10 EFCDMN C[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1ccc(Br)cc1[O-] ZINC000185110339 296146336 /nfs/dbraw/zinc/14/63/36/296146336.db2.gz NLOHBYCVKOUSDY-WDEREUQCSA-N 0 1 341.249 2.816 20 10 EFCDMN O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000295960209 285166326 /nfs/dbraw/zinc/16/63/26/285166326.db2.gz IBXREJDDXRGNRC-UHFFFAOYSA-N 0 1 348.790 2.671 20 10 EFCDMN CC[C@H]([NH2+][C@@H](C)C[S@](C)=O)c1cc(Br)ccc1[O-] ZINC000119174464 221259366 /nfs/dbraw/zinc/25/93/66/221259366.db2.gz BSYXDILSKIPLNI-RPRQWQAVSA-N 0 1 334.279 2.962 20 10 EFCDMN Cc1ccc(CNCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)o1 ZINC000054179221 132190258 /nfs/dbraw/zinc/19/02/58/132190258.db2.gz KKUBPMPRZDBVDZ-MRXNPFEDSA-N 0 1 327.428 2.580 20 10 EFCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000113327600 544569402 /nfs/dbraw/zinc/56/94/02/544569402.db2.gz AQTVNKKKGSLLKB-LBPRGKRZSA-N 0 1 325.767 2.714 20 10 EFCDMN C[C@H](CN1CCOCC1)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000279397951 279316789 /nfs/dbraw/zinc/31/67/89/279316789.db2.gz KRVDTNAPEMOLKI-LLVKDONJSA-N 0 1 333.259 2.852 20 10 EFCDMN CC(C)N1C[C@H]([NH2+][C@@H](C)c2cc(Br)ccc2[O-])CC1=O ZINC000273461823 279556411 /nfs/dbraw/zinc/55/64/11/279556411.db2.gz IHLNBIPGOWWKLJ-CMPLNLGQSA-N 0 1 341.249 2.815 20 10 EFCDMN C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185029005 289618887 /nfs/dbraw/zinc/61/88/87/289618887.db2.gz ORYMOXZWQBGUNB-NEPJUHHUSA-N 0 1 343.265 2.526 20 10 EFCDMN COc1cc2c(cc1OC)CN(Cc1cc3c(cc1O)OCO3)CC2 ZINC000007076434 471590599 /nfs/dbraw/zinc/59/05/99/471590599.db2.gz HTFXSRSLQGIOAI-UHFFFAOYSA-N 0 1 343.379 2.696 20 10 EFCDMN CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)NC1CC1 ZINC000076118515 472276631 /nfs/dbraw/zinc/27/66/31/472276631.db2.gz FWDATNIOJPCSRM-SNVBAGLBSA-N 0 1 341.249 2.644 20 10 EFCDMN Cc1cc(O)c(CN[C@H](CS(C)(=O)=O)c2ccccc2)cc1C ZINC000154982979 472492341 /nfs/dbraw/zinc/49/23/41/472492341.db2.gz YIPVDHITCZKFSM-QGZVFWFLSA-N 0 1 333.453 2.885 20 10 EFCDMN C[C@@H]1CN(c2ccc(CNC(=O)C(F)(F)F)cc2F)C[C@H](C)O1 ZINC000058228267 472522687 /nfs/dbraw/zinc/52/26/87/472522687.db2.gz RQBYVIQBVBUIRT-AOOOYVTPSA-N 0 1 334.313 2.618 20 10 EFCDMN CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1c([O-])cccc1Cl)CC2 ZINC000130247860 472592364 /nfs/dbraw/zinc/59/23/64/472592364.db2.gz SMNYQLQICGFVFX-HZPDHXFCSA-N 0 1 325.836 2.798 20 10 EFCDMN C[C@@H](N[C@@H](CO)c1cnn(C)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090885052 472662687 /nfs/dbraw/zinc/66/26/87/472662687.db2.gz AWMBCHWRWIHTLU-KDOFPFPSSA-N 0 1 346.450 2.934 20 10 EFCDMN Cc1c(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cnn1C ZINC000090888229 472663778 /nfs/dbraw/zinc/66/37/78/472663778.db2.gz WXEAHCSJQOLEDR-CYBMUJFWSA-N 0 1 332.423 2.555 20 10 EFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H](CO)Cc1ccccc1 ZINC000131502514 472674193 /nfs/dbraw/zinc/67/41/93/472674193.db2.gz QMRJMIQAPMRHBY-HNNXBMFYSA-N 0 1 336.229 2.848 20 10 EFCDMN COc1cccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c1O ZINC000105650239 472765852 /nfs/dbraw/zinc/76/58/52/472765852.db2.gz DXMLROWOZJLAHI-KRWDZBQOSA-N 0 1 340.423 2.682 20 10 EFCDMN COc1cccc(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)c1O ZINC000105650239 472765857 /nfs/dbraw/zinc/76/58/57/472765857.db2.gz DXMLROWOZJLAHI-KRWDZBQOSA-N 0 1 340.423 2.682 20 10 EFCDMN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCCN1C ZINC000120995930 472780324 /nfs/dbraw/zinc/78/03/24/472780324.db2.gz XJPIFRMDXOIEDK-ZDUSSCGKSA-N 0 1 341.249 2.597 20 10 EFCDMN CC[N@H+](CCOCCOC)Cc1cc(Br)ccc1[O-] ZINC000079471745 472870822 /nfs/dbraw/zinc/87/08/22/472870822.db2.gz COPLMQZEXXFYPY-UHFFFAOYSA-N 0 1 332.238 2.640 20 10 EFCDMN CC[N@@H+](CCOCCOC)Cc1cc(Br)ccc1[O-] ZINC000079471745 472870827 /nfs/dbraw/zinc/87/08/27/472870827.db2.gz COPLMQZEXXFYPY-UHFFFAOYSA-N 0 1 332.238 2.640 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000079474246 472871180 /nfs/dbraw/zinc/87/11/80/472871180.db2.gz FIOJMVUIWXKRDF-ZDUSSCGKSA-N 0 1 331.391 2.532 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000079474246 472871186 /nfs/dbraw/zinc/87/11/86/472871186.db2.gz FIOJMVUIWXKRDF-ZDUSSCGKSA-N 0 1 331.391 2.532 20 10 EFCDMN O=C1NCCN1[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000092188787 472871519 /nfs/dbraw/zinc/87/15/19/472871519.db2.gz JRTDUNNGMJAQSE-LBPRGKRZSA-N 0 1 344.242 2.689 20 10 EFCDMN Oc1ccc(Br)cc1CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000134200549 472884944 /nfs/dbraw/zinc/88/49/44/472884944.db2.gz GNXOFHLCWMVSHM-CQSZACIVSA-N 0 1 325.250 2.825 20 10 EFCDMN O=C([N-][C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(F)(F)F ZINC000134266197 472889745 /nfs/dbraw/zinc/88/97/45/472889745.db2.gz OEOHVHXLVCALNI-NSHDSACASA-N 0 1 336.741 2.689 20 10 EFCDMN COc1cccc(CN2CCCN(C(=O)OCC(C)C)CC2)c1O ZINC000092754467 472978854 /nfs/dbraw/zinc/97/88/54/472978854.db2.gz BPVYTNGENXXNFJ-UHFFFAOYSA-N 0 1 336.432 2.701 20 10 EFCDMN CCOc1cccc(CN2CCN(c3cc(OC)ccn3)CC2)c1O ZINC000093079041 473039456 /nfs/dbraw/zinc/03/94/56/473039456.db2.gz OBYGCRRJFARVHJ-UHFFFAOYSA-N 0 1 343.427 2.517 20 10 EFCDMN COc1ccc(N2CCCN([C@@H](C)C(=O)N3CCCCC3)CC2)cc1 ZINC000052465936 473110220 /nfs/dbraw/zinc/11/02/20/473110220.db2.gz AACLWMCKYCBAQU-KRWDZBQOSA-N 0 1 345.487 2.608 20 10 EFCDMN COc1ccc(OC)c(NC(=O)[C@H](C)N(C)Cc2ccccc2O)c1 ZINC000109770256 473120577 /nfs/dbraw/zinc/12/05/77/473120577.db2.gz SWELMVLFCZHCTF-ZDUSSCGKSA-N 0 1 344.411 2.868 20 10 EFCDMN CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cc(Cl)ccc1[O-])CC2 ZINC000093613673 473125193 /nfs/dbraw/zinc/12/51/93/473125193.db2.gz IOUHJWHLHXCWLD-JKSUJKDBSA-N 0 1 325.836 2.798 20 10 EFCDMN CCOc1ccc(O)c(CN(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1 ZINC000093647058 473130919 /nfs/dbraw/zinc/13/09/19/473130919.db2.gz MGCXUPAIDASPQQ-WBVHZDCISA-N 0 1 341.473 2.579 20 10 EFCDMN COC(=O)[C@]1(C)CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000093813398 473147089 /nfs/dbraw/zinc/14/70/89/473147089.db2.gz TUQXJSWUEPATBD-CQSZACIVSA-N 0 1 328.206 2.540 20 10 EFCDMN COC(=O)[C@]1(C)CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000093813398 473147096 /nfs/dbraw/zinc/14/70/96/473147096.db2.gz TUQXJSWUEPATBD-CQSZACIVSA-N 0 1 328.206 2.540 20 10 EFCDMN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(C)[nH]n1 ZINC000075417076 473184986 /nfs/dbraw/zinc/18/49/86/473184986.db2.gz YBOPNPNROPTXOE-UHFFFAOYSA-N 0 1 338.205 2.849 20 10 EFCDMN C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N(C)Cc1ccccc1O ZINC000111235641 473198607 /nfs/dbraw/zinc/19/86/07/473198607.db2.gz VJPQWCXKQHAQJE-PBHICJAKSA-N 0 1 340.423 2.853 20 10 EFCDMN C[C@H](C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])N1CCN(C)CC1 ZINC000185365978 473407255 /nfs/dbraw/zinc/40/72/55/473407255.db2.gz GTWDTKVGDYTZFI-VXGBXAGGSA-N 0 1 346.302 2.986 20 10 EFCDMN C[C@H]([NH2+]CCSCCCO)c1cc(Br)ccc1[O-] ZINC000185378365 473409754 /nfs/dbraw/zinc/40/97/54/473409754.db2.gz NKFIZLHPMNVTCY-JTQLQIEISA-N 0 1 334.279 2.921 20 10 EFCDMN COc1ncccc1CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000151143940 473415778 /nfs/dbraw/zinc/41/57/78/473415778.db2.gz SJTWXTRMELUKBW-AWEZNQCLSA-N 0 1 345.418 2.917 20 10 EFCDMN COc1ccccc1N1CC[C@@H](N(C)Cc2ccccc2O)C1=O ZINC000151257161 473432050 /nfs/dbraw/zinc/43/20/50/473432050.db2.gz NRQJWFQCCVXRFH-MRXNPFEDSA-N 0 1 326.396 2.638 20 10 EFCDMN CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000191278271 473523213 /nfs/dbraw/zinc/52/32/13/473523213.db2.gz NCYXOPIDAGDXPL-UHFFFAOYSA-N 0 1 331.416 2.792 20 10 EFCDMN C[C@@H](CCN1CCN(C)CC1)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000185871398 473535071 /nfs/dbraw/zinc/53/50/71/473535071.db2.gz ZCVKCHQQMIJOGF-LBPRGKRZSA-N 0 1 346.302 2.815 20 10 EFCDMN C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cc(Cl)ccc1[O-] ZINC000186021419 473573269 /nfs/dbraw/zinc/57/32/69/473573269.db2.gz CCAKYJLDQUQCTK-KWQFWETISA-N 0 1 336.741 2.859 20 10 EFCDMN C[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(Cl)ccc1[O-] ZINC000186081967 473586992 /nfs/dbraw/zinc/58/69/92/473586992.db2.gz WCACEHRCBFYRKM-BXUZGUMPSA-N 0 1 348.834 2.625 20 10 EFCDMN C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1cc(Br)ccc1[O-] ZINC000186088037 473588426 /nfs/dbraw/zinc/58/84/26/473588426.db2.gz OJKZNLCFNYBYLP-ONGXEEELSA-N 0 1 339.233 2.569 20 10 EFCDMN C[C@@H]([NH2+]CC1(CO)CCOCC1)c1ccc(Br)cc1[O-] ZINC000186149974 473601116 /nfs/dbraw/zinc/60/11/16/473601116.db2.gz QNGRCSOGRLVZRB-LLVKDONJSA-N 0 1 344.249 2.594 20 10 EFCDMN CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000186224031 473621234 /nfs/dbraw/zinc/62/12/34/473621234.db2.gz JZPHMSQVWOYYHU-VIFPVBQESA-N 0 1 329.238 2.578 20 10 EFCDMN CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000186354348 473658772 /nfs/dbraw/zinc/65/87/72/473658772.db2.gz BNEJXXOUCKRCJZ-SNVBAGLBSA-N 0 1 343.265 2.968 20 10 EFCDMN COc1cccc(CN2CCc3c(cccc3NC(C)=O)C2)c1O ZINC000179531401 473693083 /nfs/dbraw/zinc/69/30/83/473693083.db2.gz FOKYRWPOABQECZ-UHFFFAOYSA-N 0 1 326.396 2.918 20 10 EFCDMN C[C@@H]([NH2+]CCC1(O)CCOCC1)c1cc(Br)ccc1[O-] ZINC000287668439 473728377 /nfs/dbraw/zinc/72/83/77/473728377.db2.gz VRWMFDVGIHLRNX-LLVKDONJSA-N 0 1 344.249 2.737 20 10 EFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1[O-] ZINC000245718940 473741088 /nfs/dbraw/zinc/74/10/88/473741088.db2.gz HOJBIRAAGCJUIJ-HZMBPMFUSA-N 0 1 326.780 2.955 20 10 EFCDMN CC[C@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1cccc(Cl)c1[O-] ZINC000287731528 473745895 /nfs/dbraw/zinc/74/58/95/473745895.db2.gz PDKQSEOFXURHFV-BBRMVZONSA-N 0 1 325.884 2.722 20 10 EFCDMN COc1cc(O)c(CN2CCc3ccccc3[C@@H]2CO)cc1OC ZINC000180281856 473845838 /nfs/dbraw/zinc/84/58/38/473845838.db2.gz VVGSGBKEXVHKJQ-INIZCTEOSA-N 0 1 329.396 2.501 20 10 EFCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)CSC ZINC000187912264 473940792 /nfs/dbraw/zinc/94/07/92/473940792.db2.gz WERQQPLIJPYIMZ-LBPRGKRZSA-N 0 1 334.279 2.701 20 10 EFCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)CSC ZINC000187912264 473940796 /nfs/dbraw/zinc/94/07/96/473940796.db2.gz WERQQPLIJPYIMZ-LBPRGKRZSA-N 0 1 334.279 2.701 20 10 EFCDMN CCn1nc(C)c(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c1C ZINC000274758017 473946306 /nfs/dbraw/zinc/94/63/06/473946306.db2.gz GKJQOPWUSGIYES-UHFFFAOYSA-N 0 1 337.445 2.952 20 10 EFCDMN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000180885676 473981197 /nfs/dbraw/zinc/98/11/97/473981197.db2.gz UVOUIBKOFJLJPC-VFADXPBXSA-N 0 1 342.395 2.657 20 10 EFCDMN CCNC(=O)COc1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000264956929 474161252 /nfs/dbraw/zinc/16/12/52/474161252.db2.gz MWFZEYFTBZAUNT-UHFFFAOYSA-N 0 1 348.830 2.850 20 10 EFCDMN COc1ccc([C@@H](CCO)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])cc1 ZINC000182414104 474171711 /nfs/dbraw/zinc/17/17/11/474171711.db2.gz QLPJCQIATMCAOZ-GOSISDBHSA-N 0 1 347.386 2.956 20 10 EFCDMN CCN(CC)[C@H](C(=O)NCc1ccc(O)c(O)c1)c1ccccc1 ZINC000182517560 474194182 /nfs/dbraw/zinc/19/41/82/474194182.db2.gz PFOATIUUHUPJJX-SFHVURJKSA-N 0 1 328.412 2.797 20 10 EFCDMN CCc1nc([C@H](C)NC(=O)NCc2ccc(N(CC)CC)cc2)n[nH]1 ZINC000270650704 474204995 /nfs/dbraw/zinc/20/49/95/474204995.db2.gz JAFVAMRLEJKCCV-ZDUSSCGKSA-N 0 1 344.463 2.774 20 10 EFCDMN CCc1nc([C@@H](C)NC(=O)NCc2ccc(N(CC)CC)cc2)n[nH]1 ZINC000270650702 474205702 /nfs/dbraw/zinc/20/57/02/474205702.db2.gz JAFVAMRLEJKCCV-CYBMUJFWSA-N 0 1 344.463 2.774 20 10 EFCDMN CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000289596983 474338466 /nfs/dbraw/zinc/33/84/66/474338466.db2.gz XNDJZYMYVVDRDT-AWEZNQCLSA-N 0 1 343.393 2.643 20 10 EFCDMN CN(C)c1ccc(C[N@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000289596983 474338471 /nfs/dbraw/zinc/33/84/71/474338471.db2.gz XNDJZYMYVVDRDT-AWEZNQCLSA-N 0 1 343.393 2.643 20 10 EFCDMN CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000189408598 474388268 /nfs/dbraw/zinc/38/82/68/474388268.db2.gz GQCXXEZMVONFHT-VHSXEESVSA-N 0 1 329.238 2.672 20 10 EFCDMN CCN1CCN(c2ccc(CNc3ccnc(C)n3)cc2F)CC1 ZINC000266192741 474425152 /nfs/dbraw/zinc/42/51/52/474425152.db2.gz CCOCKFGJEISGNK-UHFFFAOYSA-N 0 1 329.423 2.678 20 10 EFCDMN C[C@@H]1CN(c2ccc(CNCc3ccc(CO)o3)cc2F)C[C@H](C)O1 ZINC000266240130 474425898 /nfs/dbraw/zinc/42/58/98/474425898.db2.gz WXUFLLOFTGAIJT-OKILXGFUSA-N 0 1 348.418 2.814 20 10 EFCDMN OCCN(Cc1cnn(Cc2ccccc2)c1)Cc1ccccc1O ZINC000271253505 474459643 /nfs/dbraw/zinc/45/96/43/474459643.db2.gz FYVJFCZHIZENKH-UHFFFAOYSA-N 0 1 337.423 2.632 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000289987220 474516234 /nfs/dbraw/zinc/51/62/34/474516234.db2.gz ZZTWCBJUZKUJHN-TZMCWYRMSA-N 0 1 338.404 2.825 20 10 EFCDMN Cc1nc2cccc(C(=O)N3CCOc4cc(N(C)C)ccc43)c2[nH]1 ZINC000284073704 474564120 /nfs/dbraw/zinc/56/41/20/474564120.db2.gz RPVXIKMGJWZTSF-UHFFFAOYSA-N 0 1 336.395 2.977 20 10 EFCDMN Cc1ccc(O)c(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000190322389 474579055 /nfs/dbraw/zinc/57/90/55/474579055.db2.gz MUVUNEQVAFZASK-OAQYLSRUSA-N 0 1 340.467 2.769 20 10 EFCDMN Cc1ccc(O)c(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000190322389 474579060 /nfs/dbraw/zinc/57/90/60/474579060.db2.gz MUVUNEQVAFZASK-OAQYLSRUSA-N 0 1 340.467 2.769 20 10 EFCDMN COc1cc(Cl)cc(CN2CCCN(CC(F)F)CC2)c1O ZINC000290645565 474580846 /nfs/dbraw/zinc/58/08/46/474580846.db2.gz YTCZXSRTNLZHJE-UHFFFAOYSA-N 0 1 334.794 2.827 20 10 EFCDMN CC1CCN(CC(=O)NCc2cccc(Br)c2O)CC1 ZINC000277492915 474587669 /nfs/dbraw/zinc/58/76/69/474587669.db2.gz JNFNNKRUFNUMNC-UHFFFAOYSA-N 0 1 341.249 2.503 20 10 EFCDMN Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000271757447 474589196 /nfs/dbraw/zinc/58/91/96/474589196.db2.gz DACIWBRWEVNMQH-CZUORRHYSA-N 0 1 335.835 2.725 20 10 EFCDMN CCCOc1ccc(CN2CCN(Cc3ccncc3)CC2)c(O)c1 ZINC000184713257 474592952 /nfs/dbraw/zinc/59/29/52/474592952.db2.gz WYUAGDHKVHLGPZ-UHFFFAOYSA-N 0 1 341.455 2.894 20 10 EFCDMN Oc1cc2c(cc1CN1CCC(Oc3ncccc3F)CC1)OCO2 ZINC000278134252 474601661 /nfs/dbraw/zinc/60/16/61/474601661.db2.gz VKLXXGKEUNGZMB-UHFFFAOYSA-N 0 1 346.358 2.698 20 10 EFCDMN COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278253316 474605431 /nfs/dbraw/zinc/60/54/31/474605431.db2.gz PMCNZHDRATVVGL-UHFFFAOYSA-N 0 1 332.356 2.950 20 10 EFCDMN COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278253316 474605435 /nfs/dbraw/zinc/60/54/35/474605435.db2.gz PMCNZHDRATVVGL-UHFFFAOYSA-N 0 1 332.356 2.950 20 10 EFCDMN C[C@@H]([NH2+]CCCN1CCOCC1)c1cc(Br)ccc1[O-] ZINC000184837689 474617971 /nfs/dbraw/zinc/61/79/71/474617971.db2.gz DUBIQYYMTGRCBX-GFCCVEGCSA-N 0 1 343.265 2.528 20 10 EFCDMN COc1c([O-])c(C[N@@H+]2CCC[C@]2(CO)CC(C)C)ccc1[N+](=O)[O-] ZINC000278390229 474631110 /nfs/dbraw/zinc/63/11/10/474631110.db2.gz MVNUHEFIMMPPBQ-QGZVFWFLSA-N 0 1 338.404 2.682 20 10 EFCDMN COc1c([O-])c(C[N@H+]2CCC[C@]2(CO)CC(C)C)ccc1[N+](=O)[O-] ZINC000278390229 474631114 /nfs/dbraw/zinc/63/11/14/474631114.db2.gz MVNUHEFIMMPPBQ-QGZVFWFLSA-N 0 1 338.404 2.682 20 10 EFCDMN C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(Br)cc1[O-] ZINC000273382766 474872016 /nfs/dbraw/zinc/87/20/16/474872016.db2.gz IPUVJEOQPZYHBY-LHLIQPBNSA-N 0 1 328.128 2.729 20 10 EFCDMN COCCOCCC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000273388069 474875451 /nfs/dbraw/zinc/87/54/51/474875451.db2.gz KCNPSAVKRWOZIW-NSHDSACASA-N 0 1 332.238 2.858 20 10 EFCDMN C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1cc(Br)ccc1[O-] ZINC000273443903 474900338 /nfs/dbraw/zinc/90/03/38/474900338.db2.gz DSVRCCMBRSHHQV-BONVTDFDSA-N 0 1 344.249 2.593 20 10 EFCDMN CC[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1cc(Br)ccc1[O-] ZINC000278952493 474937438 /nfs/dbraw/zinc/93/74/38/474937438.db2.gz ZKXLHSYHPGNDFY-VZJVUDMVSA-N 0 1 344.249 2.735 20 10 EFCDMN C[C@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273528087 474945561 /nfs/dbraw/zinc/94/55/61/474945561.db2.gz VROGZUPUFISCMP-LKFCYVNXSA-N 0 1 338.310 2.963 20 10 EFCDMN CCCCOC[C@H](O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000279982549 475002224 /nfs/dbraw/zinc/00/22/24/475002224.db2.gz JVBUBPOYGXHWGX-MSOLQXFVSA-N 0 1 337.460 2.551 20 10 EFCDMN CC(C)[C@@H](NCc1cc(Br)ccc1O)c1nncn1C ZINC000285608504 475032820 /nfs/dbraw/zinc/03/28/20/475032820.db2.gz VSWYRKFAGYSENR-CYBMUJFWSA-N 0 1 339.237 2.770 20 10 EFCDMN O=C(N1CCCC1)N1CCC[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000285673168 475036448 /nfs/dbraw/zinc/03/64/48/475036448.db2.gz ZWNYJUPWTRSNAX-ZDUSSCGKSA-N 0 1 337.851 2.815 20 10 EFCDMN Cc1ccc([C@@H](NCc2ccccc2O)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280646691 475041895 /nfs/dbraw/zinc/04/18/95/475041895.db2.gz JDVMTVPQCHJZBW-KDOFPFPSSA-N 0 1 333.453 2.965 20 10 EFCDMN CN(C)c1ccc(CN[C@H](c2cccs2)c2nnc[nH]2)cc1F ZINC000293903347 475057615 /nfs/dbraw/zinc/05/76/15/475057615.db2.gz WNWWMPISFVOXLN-OAHLLOKOSA-N 0 1 331.420 2.951 20 10 EFCDMN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@H+]2Cc2cc3c(cc2O)OCO3)C1 ZINC000281133340 475084765 /nfs/dbraw/zinc/08/47/65/475084765.db2.gz DBQYJOROBFXCSU-OJLVUWQFSA-N 0 1 333.428 2.882 20 10 EFCDMN COC1CCN(c2ccc(CN(C)[C@@H](C)C[S@@](C)=O)cc2)CC1 ZINC000294868169 475088366 /nfs/dbraw/zinc/08/83/66/475088366.db2.gz AUXRXOFPKSAODY-NPMXOYFQSA-N 0 1 338.517 2.501 20 10 EFCDMN Cc1ccc(O)c(C[NH+]2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000281239771 475129553 /nfs/dbraw/zinc/12/95/53/475129553.db2.gz LRLUVAYTGAUTKK-UHFFFAOYSA-N 0 1 330.350 2.591 20 10 EFCDMN CC[C@@H]([NH2+]CC(C)(C)OCCO)c1cc(Br)ccc1[O-] ZINC000287489556 475169511 /nfs/dbraw/zinc/16/95/11/475169511.db2.gz XRKXMTVHOPSBOK-CYBMUJFWSA-N 0 1 346.265 2.983 20 10 EFCDMN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2n[nH]c(C)n2)cc1 ZINC000287570035 475199682 /nfs/dbraw/zinc/19/96/82/475199682.db2.gz KVOWKYRLAJOKJF-LBPRGKRZSA-N 0 1 330.436 2.520 20 10 EFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000373163766 476380134 /nfs/dbraw/zinc/38/01/34/476380134.db2.gz KLPFKAYIPZOIGZ-HIFRSBDPSA-N 0 1 342.233 2.582 20 10 EFCDMN COc1c([O-])c(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)ccc1[N+](=O)[O-] ZINC000369326487 476410003 /nfs/dbraw/zinc/41/00/03/476410003.db2.gz ICZGPYLOZQGNLH-CYBMUJFWSA-N 0 1 346.387 2.552 20 10 EFCDMN COc1c([O-])c(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)ccc1[N+](=O)[O-] ZINC000369326487 476410010 /nfs/dbraw/zinc/41/00/10/476410010.db2.gz ICZGPYLOZQGNLH-CYBMUJFWSA-N 0 1 346.387 2.552 20 10 EFCDMN CC(=O)c1cc(F)cc(CN2CC[C@@](O)(c3ccc(F)cc3)C2)c1O ZINC000374891155 476576696 /nfs/dbraw/zinc/57/66/96/476576696.db2.gz BQZYMOFMXRZAEZ-IBGZPJMESA-N 0 1 347.361 2.967 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000374891155 476576701 /nfs/dbraw/zinc/57/67/01/476576701.db2.gz BQZYMOFMXRZAEZ-IBGZPJMESA-N 0 1 347.361 2.967 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000374891155 476576703 /nfs/dbraw/zinc/57/67/03/476576703.db2.gz BQZYMOFMXRZAEZ-IBGZPJMESA-N 0 1 347.361 2.967 20 10 EFCDMN CC(C)[C@@]1(CO)CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000378129272 476684286 /nfs/dbraw/zinc/68/42/86/476684286.db2.gz LPIBJWZGZFKMJN-HNNXBMFYSA-N 0 1 328.250 2.995 20 10 EFCDMN CC(C)[C@@]1(CO)CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000378129272 476684291 /nfs/dbraw/zinc/68/42/91/476684291.db2.gz LPIBJWZGZFKMJN-HNNXBMFYSA-N 0 1 328.250 2.995 20 10 EFCDMN O=[N+]([O-])c1cc(Cl)cc(CN2CCC[N@H+]3CCC[C@@H]3C2)c1[O-] ZINC000371417073 477305685 /nfs/dbraw/zinc/30/56/85/477305685.db2.gz RDMWFKHCSSDERD-CYBMUJFWSA-N 0 1 325.796 2.624 20 10 EFCDMN O=S1(=O)C[C@@H](NCc2c(O)ccc(Cl)c2F)c2ccccc21 ZINC000372777535 477814044 /nfs/dbraw/zinc/81/40/44/477814044.db2.gz WJRJAYQWNBKDEU-GFCCVEGCSA-N 0 1 341.791 2.803 20 10 EFCDMN CCn1nncc1C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000527918644 478571580 /nfs/dbraw/zinc/57/15/80/478571580.db2.gz CHEQCVLEZLFBJG-SECBINFHSA-N 0 1 325.210 2.617 20 10 EFCDMN COc1ccc2c(c1)c1c(n2CC(=O)NCc2cnc[nH]2)CCCC1 ZINC000651364540 481731895 /nfs/dbraw/zinc/73/18/95/481731895.db2.gz FEPDJHYPHHEYTC-UHFFFAOYSA-N 0 1 338.411 2.568 20 10 EFCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H](C)C3CC3)cc2F)CC1 ZINC000178480350 529153158 /nfs/dbraw/zinc/15/31/58/529153158.db2.gz RTBAPBIGZBVRAB-AWEZNQCLSA-N 0 1 333.451 2.630 20 10 EFCDMN CCc1nsc(NCc2ccc(N3CCN(CC)CC3)c(F)c2)n1 ZINC000301500772 535913306 /nfs/dbraw/zinc/91/33/06/535913306.db2.gz FYUMHZMRODGZKA-UHFFFAOYSA-N 0 1 349.479 2.994 20 10 EFCDMN COC(=O)C[C@](C)(NCc1ccc2c(c1)CCO2)c1ccncc1 ZINC000191902736 536360789 /nfs/dbraw/zinc/36/07/89/536360789.db2.gz BQSSCMPJCTWSAO-IBGZPJMESA-N 0 1 326.396 2.585 20 10 EFCDMN C[C@H](CS(=O)(=O)c1ccccc1)NCc1ccc2c(c1)CCO2 ZINC000756516867 575753129 /nfs/dbraw/zinc/75/31/29/575753129.db2.gz UAMNTKOASGXPGF-CQSZACIVSA-N 0 1 331.437 2.574 20 10 EFCDMN C[C@H]([NH2+]Cc1n[nH]cc1Br)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756585712 575765729 /nfs/dbraw/zinc/76/57/29/575765729.db2.gz LYXPVIJUSUBNNS-ZETCQYMHSA-N 0 1 341.165 2.637 20 10 EFCDMN C[C@@H]([NH2+]CC(=O)NC1CCCC1)c1cc(Br)ccc1[O-] ZINC000756706944 575779042 /nfs/dbraw/zinc/77/90/42/575779042.db2.gz RFVMMGQEOIAUIY-SNVBAGLBSA-N 0 1 341.249 2.864 20 10 EFCDMN COCCOC[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000756731440 575782049 /nfs/dbraw/zinc/78/20/49/575782049.db2.gz 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/nfs/dbraw/zinc/10/43/00/1281104300.db2.gz WZSBMNHTWXDZNK-QMMMGPOBSA-N 0 1 335.256 2.700 20 10 EFCDMN CCCn1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)nn1 ZINC000807836502 1281447695 /nfs/dbraw/zinc/44/76/95/1281447695.db2.gz YQMVRRYRCLNSPY-UHFFFAOYSA-N 0 1 329.187 2.631 20 10 EFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cnc2[nH]cnc2c1 ZINC000807835528 1281447883 /nfs/dbraw/zinc/44/78/83/1281447883.db2.gz GQTCGYXTWHWSIB-UHFFFAOYSA-N 0 1 337.166 2.900 20 10 EFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cnn2cccnc12 ZINC000807837295 1281448007 /nfs/dbraw/zinc/44/80/07/1281448007.db2.gz KGWUWUXQDUAYFX-UHFFFAOYSA-N 0 1 337.166 2.672 20 10 EFCDMN COC[C@@]1(C)CC(=O)N(CN(Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000747452374 1281511761 /nfs/dbraw/zinc/51/17/61/1281511761.db2.gz PUPXFRQUICDTNN-FQEVSTJZSA-N 0 1 347.503 2.806 20 10 EFCDMN Oc1c(Cl)cc(Cl)cc1CNc1nnnn1-c1ccccc1 ZINC000808090252 1281534250 /nfs/dbraw/zinc/53/42/50/1281534250.db2.gz WBHKBDGSSSOXRK-UHFFFAOYSA-N 0 1 336.182 2.709 20 10 EFCDMN CCOc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cn1 ZINC000808113804 1281540305 /nfs/dbraw/zinc/54/03/05/1281540305.db2.gz JKDGJHRBTICYGF-UHFFFAOYSA-N 0 1 346.767 2.779 20 10 EFCDMN CN1CCN(c2ccc(CN[C@@H](C3CC3)C(F)(F)F)cc2)CC1 ZINC000808438736 1281711857 /nfs/dbraw/zinc/71/18/57/1281711857.db2.gz MCWDAVVJSVESFW-INIZCTEOSA-N 0 1 327.394 2.869 20 10 EFCDMN O=C(C[NH2+][C@H]1CCc2c(F)cc(F)cc2C1)c1ccc([O-])c(O)c1 ZINC001171349279 1281926728 /nfs/dbraw/zinc/92/67/28/1281926728.db2.gz HOWXQRLKTQEGAO-ZDUSSCGKSA-N 0 1 333.334 2.706 20 10 EFCDMN CC(C)[N@@H+](CC(N)=O)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809541559 1282278348 /nfs/dbraw/zinc/27/83/48/1282278348.db2.gz LQUCYVPZTUYRDX-UHFFFAOYSA-N 0 1 337.467 2.945 20 10 EFCDMN CC(C)N(CC(N)=O)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809541559 1282278355 /nfs/dbraw/zinc/27/83/55/1282278355.db2.gz LQUCYVPZTUYRDX-UHFFFAOYSA-N 0 1 337.467 2.945 20 10 EFCDMN C[C@H](CO)[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC1CCC1 ZINC000809664752 1282393009 /nfs/dbraw/zinc/39/30/09/1282393009.db2.gz JIVGHIQKNIVIHB-SNVBAGLBSA-N 0 1 328.796 2.937 20 10 EFCDMN CC[C@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@@H](C)S1(=O)=O ZINC000809725152 1282428866 /nfs/dbraw/zinc/42/88/66/1282428866.db2.gz JYFKJQQSQUFDBB-ZJUUUORDSA-N 0 1 335.828 2.582 20 10 EFCDMN Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000809755695 1282457192 /nfs/dbraw/zinc/45/71/92/1282457192.db2.gz BNYVNWXQJPMDDC-GFCCVEGCSA-N 0 1 336.233 2.878 20 10 EFCDMN CC[C@H]([NH2+]CCS(=O)(=O)CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215695 1283040584 /nfs/dbraw/zinc/04/05/84/1283040584.db2.gz JYYQVKYDMDSYLL-LBPRGKRZSA-N 0 1 339.379 2.886 20 10 EFCDMN C[C@@H](NCc1cncn1C)c1ccc(N2CCOCC2)cc1Cl ZINC000810242646 1283098218 /nfs/dbraw/zinc/09/82/18/1283098218.db2.gz FRGOMOIJPCWILR-CYBMUJFWSA-N 0 1 334.851 2.761 20 10 EFCDMN [O-]c1cccc(Br)c1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000715589035 1284234601 /nfs/dbraw/zinc/23/46/01/1284234601.db2.gz NHSWAUUWKPDJGL-UHFFFAOYSA-N 0 1 342.233 2.930 20 10 EFCDMN [O-]c1cc(Br)ccc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000715603766 1284246835 /nfs/dbraw/zinc/24/68/35/1284246835.db2.gz GSOJSENAOJVHTL-UHFFFAOYSA-N 0 1 342.233 2.930 20 10 EFCDMN CCCN(CC)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000811520226 1284370060 /nfs/dbraw/zinc/37/00/60/1284370060.db2.gz LNJFDHAVWUNEPQ-LBPRGKRZSA-N 0 1 325.409 2.519 20 10 EFCDMN COc1c([O-])c(C[N@H+](C)C[C@](C)(O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000822517206 1289023462 /nfs/dbraw/zinc/02/34/62/1289023462.db2.gz UZYBONHSGKBMPD-SFHVURJKSA-N 0 1 346.383 2.649 20 10 EFCDMN COc1c([O-])c(C[N@@H+](C)C[C@](C)(O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000822517206 1289023468 /nfs/dbraw/zinc/02/34/68/1289023468.db2.gz UZYBONHSGKBMPD-SFHVURJKSA-N 0 1 346.383 2.649 20 10 EFCDMN Cc1cc(Br)c([O-])c(CN2C[C@H]([NH3+])CC(F)(F)C2)c1 ZINC001206145925 1285799654 /nfs/dbraw/zinc/79/96/54/1285799654.db2.gz LNXDEACHQGGBOQ-SNVBAGLBSA-N 0 1 335.192 2.631 20 10 EFCDMN COc1cc(Br)cc(CNCc2snnc2C)c1O ZINC000813790257 1286120831 /nfs/dbraw/zinc/12/08/31/1286120831.db2.gz MBZPYXKJGHRATR-UHFFFAOYSA-N 0 1 344.234 2.613 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@H](O)Cc2ccccc2)c1O ZINC000814648677 1286849932 /nfs/dbraw/zinc/84/99/32/1286849932.db2.gz WGWGSLQBTDXLMN-QGZVFWFLSA-N 0 1 331.387 2.769 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@H+](C)C[C@H](O)Cc2ccccc2)c1[O-] ZINC000814648677 1286849944 /nfs/dbraw/zinc/84/99/44/1286849944.db2.gz WGWGSLQBTDXLMN-QGZVFWFLSA-N 0 1 331.387 2.769 20 10 EFCDMN CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@H](O)Cc2ccccc2)c1[O-] ZINC000814648677 1286849953 /nfs/dbraw/zinc/84/99/53/1286849953.db2.gz WGWGSLQBTDXLMN-QGZVFWFLSA-N 0 1 331.387 2.769 20 10 EFCDMN O=S1(=O)CCN(Cc2cc(Cl)c(F)cc2O)[C@@H]2CCCC[C@@H]21 ZINC000816510827 1288179436 /nfs/dbraw/zinc/17/94/36/1288179436.db2.gz GXKCNKKWKRSIGU-HIFRSBDPSA-N 0 1 347.839 2.726 20 10 EFCDMN CC(C)(C)OC(=O)[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000816514290 1288182941 /nfs/dbraw/zinc/18/29/41/1288182941.db2.gz SJIZGVCPUVNHLU-AWEZNQCLSA-N 0 1 345.798 2.727 20 10 EFCDMN NC(=O)COc1cccc(C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816554877 1288210652 /nfs/dbraw/zinc/21/06/52/1288210652.db2.gz LLSISRCIQJPRFE-UHFFFAOYSA-N 0 1 336.391 2.699 20 10 EFCDMN C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816609054 1288222464 /nfs/dbraw/zinc/22/24/64/1288222464.db2.gz QQPQDGYDKVFUON-MAUKXSAKSA-N 0 1 326.440 2.840 20 10 EFCDMN C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816609054 1288222470 /nfs/dbraw/zinc/22/24/70/1288222470.db2.gz QQPQDGYDKVFUON-MAUKXSAKSA-N 0 1 326.440 2.840 20 10 EFCDMN CC(C)(C)OC(=O)CC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825304473 1291154111 /nfs/dbraw/zinc/15/41/11/1291154111.db2.gz YUYGWCMSFDGMHP-UHFFFAOYSA-N 0 1 330.222 2.976 20 10 EFCDMN Cc1cc(Br)c([O-])c(C[N@H+]2C[C@@H](C)C[C@H](CO)C2)c1 ZINC000817411977 1288590250 /nfs/dbraw/zinc/59/02/50/1288590250.db2.gz AKUSXKBIJVRQJP-RYUDHWBXSA-N 0 1 328.250 2.913 20 10 EFCDMN COC(=O)c1c(C[N@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c2ccccc2n1C ZINC001232410824 1312697308 /nfs/dbraw/zinc/69/73/08/1312697308.db2.gz TYCMQHLKZXGLTL-ZFWWWQNUSA-N 0 1 340.423 2.766 20 10 EFCDMN COc1ccc(CNCc2scnc2C)cc1Cn1cccn1 ZINC000873047116 1289539443 /nfs/dbraw/zinc/53/94/43/1289539443.db2.gz WPLFTQJULHGMAD-UHFFFAOYSA-N 0 1 328.441 2.995 20 10 EFCDMN COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])[C@@H]1C ZINC000825659388 1289598460 /nfs/dbraw/zinc/59/84/60/1289598460.db2.gz XCCRJGMQCFPISH-BXKDBHETSA-N 0 1 328.206 2.538 20 10 EFCDMN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2O)[C@@H]1C ZINC000825659388 1289598452 /nfs/dbraw/zinc/59/84/52/1289598452.db2.gz XCCRJGMQCFPISH-BXKDBHETSA-N 0 1 328.206 2.538 20 10 EFCDMN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])[C@@H]1C ZINC000825659388 1289598469 /nfs/dbraw/zinc/59/84/69/1289598469.db2.gz XCCRJGMQCFPISH-BXKDBHETSA-N 0 1 328.206 2.538 20 10 EFCDMN C[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[N@H+](C2CC2)C1 ZINC000824446005 1289652638 /nfs/dbraw/zinc/65/26/38/1289652638.db2.gz QHXUGHXRVLUZCV-NSHDSACASA-N 0 1 339.823 2.870 20 10 EFCDMN C[C@@H]1CN(C2CC2)CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000824446005 1289652643 /nfs/dbraw/zinc/65/26/43/1289652643.db2.gz QHXUGHXRVLUZCV-NSHDSACASA-N 0 1 339.823 2.870 20 10 EFCDMN C[C@@H]1CN(C2CC2)CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000824446005 1289652656 /nfs/dbraw/zinc/65/26/56/1289652656.db2.gz QHXUGHXRVLUZCV-NSHDSACASA-N 0 1 339.823 2.870 20 10 EFCDMN CCCN(Cc1cc(Cl)c(C)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000824521401 1289681865 /nfs/dbraw/zinc/68/18/65/1289681865.db2.gz FGQBBXXWHWRODW-CYBMUJFWSA-N 0 1 331.865 2.753 20 10 EFCDMN CC(C)=CCN1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016367043 1312745926 /nfs/dbraw/zinc/74/59/26/1312745926.db2.gz HRFAGFHWSRLWKD-HNNXBMFYSA-N 0 1 329.404 2.619 20 10 EFCDMN COc1cc(Br)cc(CN2CCC[C@H](OC)C2)c1O ZINC000091772307 1290429015 /nfs/dbraw/zinc/42/90/15/1290429015.db2.gz LLPISADTPRSMOW-LBPRGKRZSA-N 0 1 330.222 2.774 20 10 EFCDMN CN(C)c1ccc(CN2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c(O)c1 ZINC001232836030 1312791809 /nfs/dbraw/zinc/79/18/09/1312791809.db2.gz KGOCVSCXWPNEOT-HOTGVXAUSA-N 0 1 347.459 2.652 20 10 EFCDMN CC(=O)N1CC[C@H](C[N@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000092101056 1290644942 /nfs/dbraw/zinc/64/49/42/1290644942.db2.gz RGGMRPNKKSNFQQ-LLVKDONJSA-N 0 1 331.243 2.999 20 10 EFCDMN Cc1cc(CNC(=O)N[C@H](C)c2nnc[nH]2)c(C)n1-c1ccccc1 ZINC000875881413 1290697131 /nfs/dbraw/zinc/69/71/31/1290697131.db2.gz XCPBSZWQTBYZPU-CYBMUJFWSA-N 0 1 338.415 2.773 20 10 EFCDMN Cc1cc(CNC(=O)N[C@@H](C)c2nnc[nH]2)c(C)n1-c1ccccc1 ZINC000875881414 1290697149 /nfs/dbraw/zinc/69/71/49/1290697149.db2.gz XCPBSZWQTBYZPU-ZDUSSCGKSA-N 0 1 338.415 2.773 20 10 EFCDMN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000092456266 1290756056 /nfs/dbraw/zinc/75/60/56/1290756056.db2.gz YXJWAXAHTPGYHS-GFCCVEGCSA-N 0 1 342.233 2.930 20 10 EFCDMN Oc1ccc2c(c1)CN(Cc1ccc(N3CCC(O)CC3)cc1)CC2 ZINC000876615698 1290956446 /nfs/dbraw/zinc/95/64/46/1290956446.db2.gz AIFJCJPBZUAUHC-UHFFFAOYSA-N 0 1 338.451 2.912 20 10 EFCDMN Oc1cc(I)ccc1CN1CC2CC(C2)C1 ZINC001232977371 1312824019 /nfs/dbraw/zinc/82/40/19/1312824019.db2.gz 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/nfs/dbraw/zinc/57/46/84/1312574684.db2.gz OIXZNNNLIMKVPE-UHFFFAOYSA-N 0 1 342.443 2.595 20 10 EFCDMN COc1cc(N(C)C)ccc1CN1CCC(N(C(C)=O)C(C)C)CC1 ZINC001231854496 1312575081 /nfs/dbraw/zinc/57/50/81/1312575081.db2.gz DXKBIRKITWFUPG-UHFFFAOYSA-N 0 1 347.503 2.983 20 10 EFCDMN COc1cc(N(C)C)ccc1CN1CCC(N2CCCCC2=O)CC1 ZINC001231854146 1312575277 /nfs/dbraw/zinc/57/52/77/1312575277.db2.gz ABURIYATFIFQRM-UHFFFAOYSA-N 0 1 345.487 2.738 20 10 EFCDMN COc1cc(N(C)C)ccc1CN1CCCN(C(=O)CC(C)C)CC1 ZINC001231854141 1312575383 /nfs/dbraw/zinc/57/53/83/1312575383.db2.gz AAKXBCGTNVSKKO-UHFFFAOYSA-N 0 1 347.503 2.842 20 10 EFCDMN COc1cc(N(C)C)ccc1CN1CCC[C@H](Oc2ncccn2)C1 ZINC001231857869 1312575908 /nfs/dbraw/zinc/57/59/08/1312575908.db2.gz OQEAHRZEKGBMAP-KRWDZBQOSA-N 0 1 342.443 2.595 20 10 EFCDMN Oc1c(C[N@@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)ccc2ccccc21 ZINC001231878441 1312579495 /nfs/dbraw/zinc/57/94/95/1312579495.db2.gz KHEOZCRGGUCDPF-HDICACEKSA-N 0 1 346.434 2.904 20 10 EFCDMN [O-]c1c(C[N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)ccc2ccccc21 ZINC001231878441 1312579499 /nfs/dbraw/zinc/57/94/99/1312579499.db2.gz KHEOZCRGGUCDPF-HDICACEKSA-N 0 1 346.434 2.904 20 10 EFCDMN [O-]c1c(C[N@@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)ccc2ccccc21 ZINC001231878441 1312579501 /nfs/dbraw/zinc/57/95/01/1312579501.db2.gz KHEOZCRGGUCDPF-HDICACEKSA-N 0 1 346.434 2.904 20 10 EFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@]2(CCN2c2ncccn2)C1 ZINC001231909903 1312586047 /nfs/dbraw/zinc/58/60/47/1312586047.db2.gz HEMPPMNDPUEJTJ-KRWDZBQOSA-N 0 1 330.819 2.690 20 10 EFCDMN CCOC[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])Cc2c1cnn2C ZINC001231909448 1312586393 /nfs/dbraw/zinc/58/63/93/1312586393.db2.gz DSARWQRLTYHXNF-ZDUSSCGKSA-N 0 1 335.835 2.915 20 10 EFCDMN CCOC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])Cc2c1cnn2C ZINC001231909448 1312586396 /nfs/dbraw/zinc/58/63/96/1312586396.db2.gz DSARWQRLTYHXNF-ZDUSSCGKSA-N 0 1 335.835 2.915 20 10 EFCDMN COc1cc(O)c(CN2CC[C@](CO)(C(F)(F)F)C2)cc1Cl ZINC001232266170 1312661650 /nfs/dbraw/zinc/66/16/50/1312661650.db2.gz JQKZMVHMZGLVQF-ZDUSSCGKSA-N 0 1 339.741 2.801 20 10 EFCDMN COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232267128 1312661657 /nfs/dbraw/zinc/66/16/57/1312661657.db2.gz XJEIILWERXLMNS-GHMZBOCLSA-N 0 1 327.808 2.828 20 10 EFCDMN COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232267128 1312661661 /nfs/dbraw/zinc/66/16/61/1312661661.db2.gz XJEIILWERXLMNS-GHMZBOCLSA-N 0 1 327.808 2.828 20 10 EFCDMN COC(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232267394 1312661792 /nfs/dbraw/zinc/66/17/92/1312661792.db2.gz BDDYCRIENJQWKK-LLVKDONJSA-N 0 1 327.808 2.829 20 10 EFCDMN COC(=O)C[C@H]1CCC[N@@H+](Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232267394 1312661795 /nfs/dbraw/zinc/66/17/95/1312661795.db2.gz BDDYCRIENJQWKK-LLVKDONJSA-N 0 1 327.808 2.829 20 10 EFCDMN COC(=O)C1(C)CCN(Cc2cc(Cl)c(OC)cc2O)CC1 ZINC001232265598 1312662117 /nfs/dbraw/zinc/66/21/17/1312662117.db2.gz YEKBHNNOGJQTQH-UHFFFAOYSA-N 0 1 327.808 2.829 20 10 EFCDMN COc1cc([O-])c(C[N@@H+]2CCCC[C@@]23CC(=O)N(C)C3)cc1Cl ZINC001232265899 1312662266 /nfs/dbraw/zinc/66/22/66/1312662266.db2.gz BVYVLMDRCLLAKG-KRWDZBQOSA-N 0 1 338.835 2.641 20 10 EFCDMN COc1cc([O-])c(C[N@H+]2CCCC[C@@]23CC(=O)N(C)C3)cc1Cl ZINC001232265899 1312662269 /nfs/dbraw/zinc/66/22/69/1312662269.db2.gz BVYVLMDRCLLAKG-KRWDZBQOSA-N 0 1 338.835 2.641 20 10 EFCDMN COC(=O)C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232267396 1312663005 /nfs/dbraw/zinc/66/30/05/1312663005.db2.gz BDDYCRIENJQWKK-NSHDSACASA-N 0 1 327.808 2.829 20 10 EFCDMN COC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232267396 1312663006 /nfs/dbraw/zinc/66/30/06/1312663006.db2.gz BDDYCRIENJQWKK-NSHDSACASA-N 0 1 327.808 2.829 20 10 EFCDMN COc1cc(O)c(CN2C[C@@H]3COC[C@H](C2)C3(F)F)cc1Cl ZINC001232267817 1312663026 /nfs/dbraw/zinc/66/30/26/1312663026.db2.gz HATARWUDRWSHMT-PHIMTYICSA-N 0 1 333.762 2.768 20 10 EFCDMN COc1cc(O)c(CN2CC[C@H](Oc3nccnc3C)C2)cc1Cl ZINC001232270461 1312663605 /nfs/dbraw/zinc/66/36/05/1312663605.db2.gz BVKQDMRYUBPISM-ZDUSSCGKSA-N 0 1 349.818 2.806 20 10 EFCDMN COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232270185 1312663887 /nfs/dbraw/zinc/66/38/87/1312663887.db2.gz XJEIILWERXLMNS-MNOVXSKESA-N 0 1 327.808 2.828 20 10 EFCDMN COC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232270185 1312663891 /nfs/dbraw/zinc/66/38/91/1312663891.db2.gz XJEIILWERXLMNS-MNOVXSKESA-N 0 1 327.808 2.828 20 10 EFCDMN CN(c1cc(F)c(O)c(Cl)c1)S(=O)(=O)Cc1ccc(N)cc1 ZINC001214486788 1314698728 /nfs/dbraw/zinc/69/87/28/1314698728.db2.gz ZGKJHBCBFHVFPK-UHFFFAOYSA-N 0 1 344.795 2.733 20 10 EFCDMN COc1cc([O-])c(C[N@@H+]2CC[C@H](C)C2)cc1I ZINC001248462277 1314936570 /nfs/dbraw/zinc/93/65/70/1314936570.db2.gz SNBDGWXQQAMDCB-VIFPVBQESA-N 0 1 347.196 2.847 20 10 EFCDMN COc1cc([O-])c(C[N@H+]2CC[C@H](C)C2)cc1I ZINC001248462277 1314936572 /nfs/dbraw/zinc/93/65/72/1314936572.db2.gz SNBDGWXQQAMDCB-VIFPVBQESA-N 0 1 347.196 2.847 20 10 EFCDMN CC(C)(C)c1cc([O-])c(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1Cl ZINC001248880535 1314990730 /nfs/dbraw/zinc/99/07/30/1314990730.db2.gz KYDHYHVHPVDAMM-IUODEOHRSA-N 0 1 327.852 2.518 20 10 EFCDMN CC(C)(C)c1cc([O-])c(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1Cl ZINC001248880535 1314990732 /nfs/dbraw/zinc/99/07/32/1314990732.db2.gz KYDHYHVHPVDAMM-IUODEOHRSA-N 0 1 327.852 2.518 20 10 EFCDMN CC(=O)N1CCN(Cc2ccc3c(c2O)C=CC(C)(C)O3)C[C@@H]1C ZINC001249258975 1315040982 /nfs/dbraw/zinc/04/09/82/1315040982.db2.gz PCLMHCYLQPMIKV-ZDUSSCGKSA-N 0 1 330.428 2.629 20 10 EFCDMN CC[C@H]([NH2+]CCN1CCCC1=O)c1cc(Br)ccc1[O-] ZINC000405386449 1315052498 /nfs/dbraw/zinc/05/24/98/1315052498.db2.gz AYUKISUAKVQXAS-ZDUSSCGKSA-N 0 1 341.249 2.818 20 10 EFCDMN CCN(Cc1ccccc1O)Cc1cnc(N)nc1C(F)(F)F ZINC001249395868 1315062141 /nfs/dbraw/zinc/06/21/41/1315062141.db2.gz ZLXMUIXWYYGZRW-UHFFFAOYSA-N 0 1 326.322 2.805 20 10 EFCDMN Cc1cnccc1-c1noc(-c2cc3cc(O)c(O)cc3oc2=O)n1 ZINC001217554052 1315084621 /nfs/dbraw/zinc/08/46/21/1315084621.db2.gz LTWWZSJXNXRDIU-UHFFFAOYSA-N 0 1 337.291 2.625 20 10 EFCDMN O=C1c2ccccc2C(=O)c2c1ccc([O-])c2O[C@H]1CCCC[NH2+]C1 ZINC001217970037 1315126905 /nfs/dbraw/zinc/12/69/05/1315126905.db2.gz BTZVSDSNAAIKMG-LBPRGKRZSA-N 0 1 337.375 2.689 20 10 EFCDMN Cc1c([O-])cc2c(c1O[C@H]1C[NH2+][C@H](C)C1)C(=O)c1ccccc1C2=O ZINC001218039624 1315137435 /nfs/dbraw/zinc/13/74/35/1315137435.db2.gz QDVUNWNWJAQQMB-ZYHUDNBSSA-N 0 1 337.375 2.605 20 10 EFCDMN COc1ccc(O)c(Nc2ccncc2CNC(=O)OC(C)(C)C)c1 ZINC001249820362 1315142110 /nfs/dbraw/zinc/14/21/10/1315142110.db2.gz CVGQKRDYBGBHEO-UHFFFAOYSA-N 0 1 345.399 2.986 20 10 EFCDMN Cc1c([O-])cc2c(c1O[C@@H]1C[C@H]3C[C@@H]1C[NH2+]3)C(=O)c1ccccc1C2=O ZINC001218111570 1315150020 /nfs/dbraw/zinc/15/00/20/1315150020.db2.gz WISADOMILQFDIU-PSTGCABASA-N 0 1 349.386 2.605 20 10 EFCDMN COc1ccc(N)cc1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F ZINC001250023807 1315167759 /nfs/dbraw/zinc/16/77/59/1315167759.db2.gz BOORBADDTAGFRX-UHFFFAOYSA-N 0 1 346.767 2.576 20 10 EFCDMN CC(=O)NC1CCN(Cc2cc(C)c(Br)cc2O)CC1 ZINC001250121023 1315175454 /nfs/dbraw/zinc/17/54/54/1315175454.db2.gz YZIUOWVWADJEKG-UHFFFAOYSA-N 0 1 341.249 2.564 20 10 EFCDMN Cc1cc(CN2CC[N@H+](C)C(C)(C)C2)c(O)cc1Br ZINC001250133180 1315177169 /nfs/dbraw/zinc/17/71/69/1315177169.db2.gz JNTHOTOTUVCUBH-UHFFFAOYSA-N 0 1 327.266 2.989 20 10 EFCDMN C[C@@H]1CC[C@@H](Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)C[NH2+]1 ZINC001218400796 1315190065 /nfs/dbraw/zinc/19/00/65/1315190065.db2.gz WMQNUYVTCDKTTK-VXGBXAGGSA-N 0 1 337.375 2.687 20 10 EFCDMN C[C@@H]1C[NH2+]CC[C@H]1Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001218421375 1315193515 /nfs/dbraw/zinc/19/35/15/1315193515.db2.gz WBQBNJIFQIOWTP-BDJLRTHQSA-N 0 1 337.375 2.544 20 10 EFCDMN COc1ccc(CN2CC3(CCN3Cc3ccc[nH]3)C2)c(O)c1Cl ZINC001276807088 1315336094 /nfs/dbraw/zinc/33/60/94/1315336094.db2.gz YVEAPTQPTVAKTK-UHFFFAOYSA-N 0 1 347.846 2.843 20 10 EFCDMN Oc1cc(O)c(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)cc1O ZINC001251358231 1315342635 /nfs/dbraw/zinc/34/26/35/1315342635.db2.gz CEUGTZDYMHFSES-UHFFFAOYSA-N 0 1 326.287 2.672 20 10 EFCDMN Cc1cccc2nc(-c3ccc(N4CCS(=O)(=O)CC4)cc3)[nH]c21 ZINC001251554245 1315354525 /nfs/dbraw/zinc/35/45/25/1315354525.db2.gz KNBGJWCGHQWZGT-UHFFFAOYSA-N 0 1 341.436 2.773 20 10 EFCDMN CC(C)NC(=O)N1CCC12CN(Cc1cc3ccccc3cc1O)C2 ZINC001276812012 1315393300 /nfs/dbraw/zinc/39/33/00/1315393300.db2.gz CTYYHBQURCLKQB-UHFFFAOYSA-N 0 1 339.439 2.924 20 10 EFCDMN CCOc1ccc(N2CCN(C[C@H](O)c3ccccc3)CC2)cc1 ZINC001251993154 1315401002 /nfs/dbraw/zinc/40/10/02/1315401002.db2.gz KBXKZSDNBFUKLF-FQEVSTJZSA-N 0 1 326.440 2.941 20 10 EFCDMN Cc1cc(C)c(CNC(=O)[C@H]2CC[C@H](C(F)(F)F)CN2)c(O)c1 ZINC001220826032 1315454153 /nfs/dbraw/zinc/45/41/53/1315454153.db2.gz YIHJZYLJDWXCNO-WCQYABFASA-N 0 1 330.350 2.556 20 10 EFCDMN Cc1cc(C)c(CNC(=O)[C@H]2NCCC[C@H]2C(F)(F)F)c(O)c1 ZINC001220825470 1315454524 /nfs/dbraw/zinc/45/45/24/1315454524.db2.gz ITOMVCPXNIVLKN-OCCSQVGLSA-N 0 1 330.350 2.556 20 10 EFCDMN COc1ccc(N2CCN(C3C[C@@H]4CC(=O)C[C@H]4C3)CC2)c(OC)c1 ZINC001254963639 1315766053 /nfs/dbraw/zinc/76/60/53/1315766053.db2.gz KUGUUXDZDJYPHM-HUUCEWRRSA-N 0 1 344.455 2.584 20 10 EFCDMN O=S(=O)(Nc1cccc(O)c1O)c1ccc(OC(F)(F)F)cc1 ZINC001255795194 1315867419 /nfs/dbraw/zinc/86/74/19/1315867419.db2.gz OSYHJMLYYIOGEB-UHFFFAOYSA-N 0 1 349.286 2.797 20 10 EFCDMN O=S(=O)(Nc1ccc(O)cc1O)c1ccc(C(F)(F)F)cc1 ZINC001255856219 1315873632 /nfs/dbraw/zinc/87/36/32/1315873632.db2.gz PCMSYHLQIQJCIZ-UHFFFAOYSA-N 0 1 333.287 2.917 20 10 EFCDMN COC(=O)c1cc(NS(=O)(=O)c2ccccc2Cl)ccc1O ZINC001256306992 1315928486 /nfs/dbraw/zinc/92/84/86/1315928486.db2.gz ZZIZBCZRSVUMOZ-UHFFFAOYSA-N 0 1 341.772 2.633 20 10 EFCDMN CCOC(=O)[C@H]1CC[C@@H](N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001257047474 1316025405 /nfs/dbraw/zinc/02/54/05/1316025405.db2.gz NJCSQINOYYLOII-DOTOQJQBSA-N 0 1 332.444 2.549 20 10 EFCDMN COc1cc(C)ccc1S(=O)(=O)Nc1ccc(O)c(C(C)=O)c1 ZINC001259204532 1316219899 /nfs/dbraw/zinc/21/98/99/1316219899.db2.gz STWRHASDFTUDEA-UHFFFAOYSA-N 0 1 335.381 2.713 20 10 EFCDMN Cc1c(O)ccc(NS(=O)(=O)c2cccc3nsnc32)c1C ZINC001260388101 1316336735 /nfs/dbraw/zinc/33/67/35/1316336735.db2.gz RFPKUDOTDWEJJH-UHFFFAOYSA-N 0 1 335.410 2.815 20 10 EFCDMN COc1cc(C)c(NS(=O)(=O)c2cccc3nonc32)c(C)c1 ZINC001260441086 1316338813 /nfs/dbraw/zinc/33/88/13/1316338813.db2.gz MUOVQTJKZBGMIO-UHFFFAOYSA-N 0 1 333.369 2.649 20 10 EFCDMN COc1ccc(F)cc1S(=O)(=O)Nc1c(C)cc(O)cc1C ZINC001260651336 1316354586 /nfs/dbraw/zinc/35/45/86/1316354586.db2.gz XFNHPKJACFYHFW-UHFFFAOYSA-N 0 1 325.361 2.958 20 10 EFCDMN O=S(=O)(Nc1c(O)cccc1F)c1ccc(Cl)c2nonc21 ZINC001261070998 1316387995 /nfs/dbraw/zinc/38/79/95/1316387995.db2.gz HBPJQLMEFSSAEX-UHFFFAOYSA-N 0 1 343.723 2.522 20 10 EFCDMN O=C([O-])[C@H](CC1CC1)[NH2+]Cc1cc(Br)cc(F)c1O ZINC001262163240 1316450587 /nfs/dbraw/zinc/45/05/87/1316450587.db2.gz LYCSWEGCPZAMJP-NSHDSACASA-N 0 1 332.169 2.637 20 10 EFCDMN CC(C)CNC(=O)C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC001320133139 1329094151 /nfs/dbraw/zinc/09/41/51/1329094151.db2.gz OMXDDKDAJXRAJR-SNVBAGLBSA-N 0 1 329.238 2.578 20 10 EFCDMN COCC[N@@H+](CCC(=O)[O-])Cc1cc(-c2ccccc2)ccc1O ZINC000904269637 1324871574 /nfs/dbraw/zinc/87/15/74/1324871574.db2.gz OCFAVZGGAWKINJ-UHFFFAOYSA-N 0 1 329.396 2.982 20 10 EFCDMN CC[C@H]([NH2+]CCN1CCC(CO)CC1)c1cc(Cl)ccc1[O-] ZINC001321386796 1329381107 /nfs/dbraw/zinc/38/11/07/1329381107.db2.gz LMYXYUHJPYEASE-INIZCTEOSA-N 0 1 326.868 2.791 20 10 EFCDMN C[N@@H+](Cc1ccc(C(N)=O)cc1)Cc1cccc(Br)c1[O-] ZINC001323738665 1329566905 /nfs/dbraw/zinc/56/69/05/1329566905.db2.gz BECXGHVUCOGAGC-UHFFFAOYSA-N 0 1 349.228 2.886 20 10 EFCDMN CN1CCN(c2ccc(CNc3ccc4c(c3)C(=O)OC4)cc2)CC1 ZINC001327435459 1330477917 /nfs/dbraw/zinc/47/79/17/1330477917.db2.gz IFGARWASQDOFGI-UHFFFAOYSA-N 0 1 337.423 2.721 20 10 EFCDMN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCN1CC=CC1 ZINC001328882628 1330643305 /nfs/dbraw/zinc/64/33/05/1330643305.db2.gz BCXGVBIADHPLDW-UHFFFAOYSA-N 0 1 337.423 2.508 20 10 EFCDMN CCOC(=O)c1ncc(CNCc2ccc(N(C)C)cc2C)s1 ZINC001333722928 1331201666 /nfs/dbraw/zinc/20/16/66/1331201666.db2.gz HTGZTNNESHYJGV-UHFFFAOYSA-N 0 1 333.457 2.984 20 10 EFCDMN COc1ccc(CN2CCCC[C@H]2c2ccnn2C)c(O)c1OC ZINC001334268629 1331275061 /nfs/dbraw/zinc/27/50/61/1331275061.db2.gz ALOREUMRBWLUGS-HNNXBMFYSA-N 0 1 331.416 2.870 20 10 EFCDMN CC[C@@H](F)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001335855976 1331410711 /nfs/dbraw/zinc/41/07/11/1331410711.db2.gz QBEBJVKTMPMVTE-UONOGXRCSA-N 0 1 328.815 2.874 20 10 EFCDMN CN1CCC(N2C(=O)/C(=C\c3ncccc3F)SC2=S)CC1 ZINC001336359751 1331463842 /nfs/dbraw/zinc/46/38/42/1331463842.db2.gz BKEXSDNQDVJKBD-UKTHLTGXSA-N 0 1 337.445 2.516 20 10 EFCDMN O=C(Nc1nc(-c2ccncc2)n[nH]1)C1=S=C(c2ccccc2)C=C1 ZINC001347622788 1332761083 /nfs/dbraw/zinc/76/10/83/1332761083.db2.gz QGDICDPVUQLNCG-UHFFFAOYSA-N 0 1 347.403 2.501 20 10 EFCDMN CC(C)[C@@]1(CO)CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC001348384181 1332831995 /nfs/dbraw/zinc/83/19/95/1332831995.db2.gz TZPQPMJSERMSDQ-HNNXBMFYSA-N 0 1 328.250 2.995 20 10 EFCDMN CC(C)[C@@]1(CO)CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC001348384181 1332831996 /nfs/dbraw/zinc/83/19/96/1332831996.db2.gz TZPQPMJSERMSDQ-HNNXBMFYSA-N 0 1 328.250 2.995 20 10 EFCDMN CON1CCC([N@H+](C)Cc2ccc(Br)cc2[O-])CC1 ZINC001350619799 1333104039 /nfs/dbraw/zinc/10/40/39/1333104039.db2.gz KOMABEUHTDDCTL-UHFFFAOYSA-N 0 1 329.238 2.612 20 10 EFCDMN CON1CCC([N@@H+](C)Cc2ccc(Br)cc2[O-])CC1 ZINC001350619799 1333104043 /nfs/dbraw/zinc/10/40/43/1333104043.db2.gz KOMABEUHTDDCTL-UHFFFAOYSA-N 0 1 329.238 2.612 20 10 EFCDMN C[C@H](Cc1cnc[nH]1)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000847400287 1333660471 /nfs/dbraw/zinc/66/04/71/1333660471.db2.gz LQORBEBNBOQIFB-OAHLLOKOSA-N 0 1 326.444 2.895 20 10 EFCDMN C[C@@H](Cc1cnc[nH]1)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000847400286 1333660689 /nfs/dbraw/zinc/66/06/89/1333660689.db2.gz LQORBEBNBOQIFB-HNNXBMFYSA-N 0 1 326.444 2.895 20 10 EFCDMN C[C@H](CNC(=O)NCc1ccc(N)cc1)N1CCc2ccccc2C1 ZINC001353299793 1334072156 /nfs/dbraw/zinc/07/21/56/1334072156.db2.gz IFDGBRRHLKZKBP-OAHLLOKOSA-N 0 1 338.455 2.515 20 10 EFCDMN CCc1cccc(CN2CCN(Cc3nc(C)c(C)o3)CC2)c1O ZINC000848885960 1334961668 /nfs/dbraw/zinc/96/16/68/1334961668.db2.gz PQIXCOVTLPNDTC-UHFFFAOYSA-N 0 1 329.444 2.877 20 10 EFCDMN CCc1cccc(CN(CCO)Cc2cc(OC)ccc2OC)c1O ZINC000848884990 1334962170 /nfs/dbraw/zinc/96/21/70/1334962170.db2.gz PNZRHVPBRCOVJJ-UHFFFAOYSA-N 0 1 345.439 2.966 20 10 EFCDMN CCc1cccc(CNc2ccc(N3CCN(C)CC3)cn2)c1O ZINC000848895937 1334969096 /nfs/dbraw/zinc/96/90/96/1334969096.db2.gz ZFDBEAJZNTZLDD-UHFFFAOYSA-N 0 1 326.444 2.714 20 10 EFCDMN CCc1cccc(CN(CCN2CCOCC2)Cc2ccco2)c1O ZINC000848915565 1334983161 /nfs/dbraw/zinc/98/31/61/1334983161.db2.gz XSSIFIDHOSRILP-UHFFFAOYSA-N 0 1 344.455 2.882 20 10 EFCDMN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000935943789 1335463965 /nfs/dbraw/zinc/46/39/65/1335463965.db2.gz DWOPNUIVEIEYFW-BDJLRTHQSA-N 0 1 334.416 2.583 20 10 EFCDMN O=C([O-])c1cnn2c1[nH]c(C[N@H+]1CC[C@@H](C3CCCCC3)C1)cc2=O ZINC000849346623 1335596051 /nfs/dbraw/zinc/59/60/51/1335596051.db2.gz VWZONHBEUQAEOJ-CYBMUJFWSA-N 0 1 344.415 2.535 20 10 EFCDMN Cc1cc([C@@H](C)NCC(=O)NCc2ccc(N(C)C)cc2)c(C)o1 ZINC000183813052 1426342068 /nfs/dbraw/zinc/34/20/68/1426342068.db2.gz JFNIOVVBHVASCS-CQSZACIVSA-N 0 1 329.444 2.929 20 10 EFCDMN C[N@@H+](CC(=O)NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCSC1 ZINC000807840354 713513245 /nfs/dbraw/zinc/51/32/45/713513245.db2.gz ZZVUSJMVEQNGNT-NSHDSACASA-N 0 1 349.283 2.753 20 10 EFCDMN COC(=O)COc1ccccc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000891396749 714616754 /nfs/dbraw/zinc/61/67/54/714616754.db2.gz DRWKDQRSAWKUSN-UHFFFAOYSA-N 0 1 342.439 2.936 20 10 EFCDMN CCOC(=O)[C@H]1CCCN(Cc2cc(Br)ccc2O)C1 ZINC000092456405 715111258 /nfs/dbraw/zinc/11/12/58/715111258.db2.gz SNVJOZHONWEYKC-NSHDSACASA-N 0 1 342.233 2.930 20 10 EFCDMN C[C@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840869944 716412905 /nfs/dbraw/zinc/41/29/05/716412905.db2.gz QPDFQMCPGPIOTI-QMMMGPOBSA-N 0 1 342.277 2.960 20 10 EFCDMN Cc1ccc([C@@H](CNC(=O)c2ccc(C)c(O)c2O)N2CCCC2)o1 ZINC000177678908 718158899 /nfs/dbraw/zinc/15/88/99/718158899.db2.gz XYSLJUKOCZKEQK-OAHLLOKOSA-N 0 1 344.411 2.875 20 10 EFCDMN CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000840891466 718941908 /nfs/dbraw/zinc/94/19/08/718941908.db2.gz TYNYETPDQZHSKS-ZJUUUORDSA-N 0 1 329.238 2.718 20 10 EFCDMN CC[C@@H]([NH2+]C[C@@](C)(O)COC)c1cc(Br)ccc1[O-] ZINC000382565541 718961749 /nfs/dbraw/zinc/96/17/49/718961749.db2.gz NXBUINDRRPKTLE-TZMCWYRMSA-N 0 1 332.238 2.593 20 10 EFCDMN C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCCN(CCF)C1 ZINC001025631699 719259605 /nfs/dbraw/zinc/25/96/05/719259605.db2.gz DEWAMEIJKZATSX-OCCSQVGLSA-N 0 1 349.410 2.649 20 10 EFCDMN Cc1cccc(C[N@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000179882398 719868121 /nfs/dbraw/zinc/86/81/21/719868121.db2.gz GNMYORABUODAGP-CYBMUJFWSA-N 0 1 334.441 2.541 20 10 EFCDMN COC(=O)[C@]1(C)CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000840975115 719958005 /nfs/dbraw/zinc/95/80/05/719958005.db2.gz KSBCNHYKRKXLQT-OAHLLOKOSA-N 0 1 342.233 2.930 20 10 EFCDMN COC(=O)[C@]1(C)CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000840975115 719958007 /nfs/dbraw/zinc/95/80/07/719958007.db2.gz KSBCNHYKRKXLQT-OAHLLOKOSA-N 0 1 342.233 2.930 20 10 EFCDMN COc1cc(C)cc(CN2CCC[C@H]2C(=O)NCc2ccco2)c1O ZINC000893925845 720164350 /nfs/dbraw/zinc/16/43/50/720164350.db2.gz SBWBDRHSENPFLJ-INIZCTEOSA-N 0 1 344.411 2.583 20 10 EFCDMN COc1ccccc1CN(CCO)Cc1cc(C)cc(OC)c1O ZINC000893959265 720184725 /nfs/dbraw/zinc/18/47/25/720184725.db2.gz IQUMQPQOLQCSRT-UHFFFAOYSA-N 0 1 331.412 2.712 20 10 EFCDMN COC(=O)C(C)(C)N(C)Cc1cc(Br)cc(F)c1O ZINC000893995067 720201314 /nfs/dbraw/zinc/20/13/14/720201314.db2.gz RLBCXVYPLFGODN-UHFFFAOYSA-N 0 1 334.185 2.677 20 10 EFCDMN O=C(NCc1c(O)ccc2c1CCCC2)c1n[nH]nc1-c1ccccc1 ZINC000194213052 721003639 /nfs/dbraw/zinc/00/36/39/721003639.db2.gz NQYWTZDECSQYRN-UHFFFAOYSA-N 0 1 348.406 2.986 20 10 EFCDMN NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCN(C/C=C\Cl)C2)cc1 ZINC001029013696 722638791 /nfs/dbraw/zinc/63/87/91/722638791.db2.gz GABFKEBOQJPFSN-XJGZDTAESA-N 0 1 349.822 2.653 20 10 EFCDMN C[C@H](O)[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894423840 722732737 /nfs/dbraw/zinc/73/27/37/722732737.db2.gz VNGRRGRBCSBUDM-UWVGGRQHSA-N 0 1 332.213 2.887 20 10 EFCDMN C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894423839 722732632 /nfs/dbraw/zinc/73/26/32/722732632.db2.gz VNGRRGRBCSBUDM-NXEZZACHSA-N 0 1 332.213 2.887 20 10 EFCDMN Cc1noc([C@H](C)NCc2cc(Br)cc(F)c2O)n1 ZINC000894543467 722777121 /nfs/dbraw/zinc/77/71/21/722777121.db2.gz QUXUHNBHLYZCJK-LURJTMIESA-N 0 1 330.157 2.836 20 10 EFCDMN CC[N@@H+](CC(=O)N1CCCCCC1)Cc1cc(F)cc(F)c1[O-] ZINC000894754845 722837016 /nfs/dbraw/zinc/83/70/16/722837016.db2.gz JAXIJRKYTKZSOO-UHFFFAOYSA-N 0 1 326.387 2.895 20 10 EFCDMN C[N@@H+](CCn1cc(Br)cn1)Cc1cc(F)cc(F)c1[O-] ZINC000894788272 722848280 /nfs/dbraw/zinc/84/82/80/722848280.db2.gz XTCIOTWFPMLQOG-UHFFFAOYSA-N 0 1 346.175 2.761 20 10 EFCDMN COC(=O)[C@@H]1C[N@@H+](Cc2cc(Br)cc(F)c2[O-])C[C@H]1C ZINC000895067478 723162442 /nfs/dbraw/zinc/16/24/42/723162442.db2.gz UROSBMQPSHZJAS-LDYMZIIASA-N 0 1 346.196 2.535 20 10 EFCDMN CC[C@@H]1CCC[N@H+]1Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-] ZINC000727825630 723178969 /nfs/dbraw/zinc/17/89/69/723178969.db2.gz WDZUTQRXFFOESE-LJQANCHMSA-N 0 1 346.471 2.801 20 10 EFCDMN CC(C)(C)N1CC[C@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000896270625 723229443 /nfs/dbraw/zinc/22/94/43/723229443.db2.gz SCLDTCXHYNYSBD-IRXDYDNUSA-N 0 1 346.471 2.773 20 10 EFCDMN COc1c([O-])c(C[NH2+][C@@H](c2ccccn2)C2CC2)ccc1[N+](=O)[O-] ZINC000896612147 723401426 /nfs/dbraw/zinc/40/14/26/723401426.db2.gz HVZOYJNNUJPAFP-OAHLLOKOSA-N 0 1 329.356 2.945 20 10 EFCDMN C[C@@H]1C[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C[C@H](C)O1 ZINC000728194180 723841929 /nfs/dbraw/zinc/84/19/29/723841929.db2.gz IADZFABOVRFDLZ-OKILXGFUSA-N 0 1 341.407 2.938 20 10 EFCDMN CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000896958022 723913880 /nfs/dbraw/zinc/91/38/80/723913880.db2.gz FXGDEPCEZFVYBG-NSHDSACASA-N 0 1 328.206 2.540 20 10 EFCDMN CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000896958022 723913883 /nfs/dbraw/zinc/91/38/83/723913883.db2.gz FXGDEPCEZFVYBG-NSHDSACASA-N 0 1 328.206 2.540 20 10 EFCDMN CC(C)(C)CCN1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001031464480 728856223 /nfs/dbraw/zinc/85/62/23/728856223.db2.gz TVZFPDBVTJOOAN-UHFFFAOYSA-N 0 1 331.420 2.699 20 10 EFCDMN NC(=O)N=Nc1ccc(C(=O)NC2CN(CCC3CCCC3)C2)cc1 ZINC001031463946 728858960 /nfs/dbraw/zinc/85/89/60/728858960.db2.gz BYOVBTSENYXJNL-UHFFFAOYSA-N 0 1 343.431 2.843 20 10 EFCDMN CC1=NO[C@@H](CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000895310065 724018063 /nfs/dbraw/zinc/01/80/63/724018063.db2.gz GAFDRLGBFGTKBZ-OAHLLOKOSA-N 0 1 332.404 2.840 20 10 EFCDMN C[C@@H]1C[N@@H+](Cc2cc(Br)cc(F)c2[O-])C[C@]1(C)CO ZINC000895345477 724053929 /nfs/dbraw/zinc/05/39/29/724053929.db2.gz USLSGUXCMNQBML-YMTOWFKASA-N 0 1 332.213 2.744 20 10 EFCDMN CN(C)c1cc(F)c(CN2CCC3(CC2)C[C@H](O)CCO3)cc1F ZINC000897257844 724137318 /nfs/dbraw/zinc/13/73/18/724137318.db2.gz NWUGIUBZWQQKBL-CQSZACIVSA-N 0 1 340.414 2.537 20 10 EFCDMN CCO/C=C/[C@@](O)(C[NH2+]Cc1c([O-])cccc1Cl)C(F)(F)F ZINC000895707704 724266965 /nfs/dbraw/zinc/26/69/65/724266965.db2.gz MLQDLOWEUNTADU-KTRBRXNASA-N 0 1 339.741 2.979 20 10 EFCDMN Oc1c(F)cc(Br)cc1CN1CCc2ncncc2C1 ZINC000895723932 724284851 /nfs/dbraw/zinc/28/48/51/724284851.db2.gz OVGSBZPUVBWLOB-UHFFFAOYSA-N 0 1 338.180 2.642 20 10 EFCDMN CCOc1cccc(CN(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000121309630 724331174 /nfs/dbraw/zinc/33/11/74/724331174.db2.gz KRWHGHQHIUOGBA-UHFFFAOYSA-N 0 1 341.455 2.949 20 10 EFCDMN CCOC(=O)[C@@H](C[C@@H]1CCCO1)NCc1cccc(Cl)c1O ZINC000895866852 724362078 /nfs/dbraw/zinc/36/20/78/724362078.db2.gz ZOLALZFCHYYNMR-GXTWGEPZSA-N 0 1 327.808 2.636 20 10 EFCDMN 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