smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1N1CCC(N2CC[C@@H]([NH+]3CCCCCC3)[C@H](O)C2)CC1 ZINC000011822135 204356448 /nfs/dbraw/zinc/35/64/48/204356448.db2.gz WKDHBQVPRLSDKM-IFMALSPDSA-N 1 0 387.568 2.975 10 0 GFAERO O=C(Nc1cccnc1)c1ccc(C[N@@H+]2CCCN(c3ncccn3)CC2)cc1 ZINC000065376666 205232186 /nfs/dbraw/zinc/23/21/86/205232186.db2.gz QWECBRMJEGGAJS-UHFFFAOYSA-N 1 0 388.475 2.836 10 0 GFAERO C[N@@H+]1CC[C@@](C)(CNC(=O)c2coc(COc3cccc4cnccc43)n2)C1 ZINC000067674199 205254742 /nfs/dbraw/zinc/25/47/42/205254742.db2.gz SSBQNVSLKVWYQS-NRFANRHFSA-N 1 0 380.448 2.873 10 0 GFAERO COc1cccc(-c2noc(-c3ccc(NC4CC[NH2+]CC4)nc3)n2)c1OC ZINC000072169858 205315053 /nfs/dbraw/zinc/31/50/53/205315053.db2.gz WCSZVPWMNJASJY-UHFFFAOYSA-N 1 0 381.436 2.980 10 0 GFAERO c1ccc2c(c1)Cc1c(ncnc1N1CCC[C@@H](C[NH+]3CCOCC3)C1)CO2 ZINC000095503779 136180120 /nfs/dbraw/zinc/18/01/20/136180120.db2.gz JOCDFRCFUKNBCB-KRWDZBQOSA-N 1 0 380.492 2.508 10 0 GFAERO CC(C)[C@@H](CO)[NH2+]C[C@H](O)COc1ccccc1C(=O)CCc1ccccc1 ZINC000503973391 528481516 /nfs/dbraw/zinc/48/15/16/528481516.db2.gz GPQWLJZZYQYZJV-PZJWPPBQSA-N 1 0 385.504 2.848 10 0 GFAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000049191463 551158037 /nfs/dbraw/zinc/15/80/37/551158037.db2.gz CXUMSZZNNWRHKF-YOEHRIQHSA-N 1 0 398.345 2.526 10 0 GFAERO O=C(c1ccc(Cl)c(I)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000049516023 551158739 /nfs/dbraw/zinc/15/87/39/551158739.db2.gz KIVMAAUFCMPXNK-NSHDSACASA-N 1 0 390.652 2.865 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000113271246 551207546 /nfs/dbraw/zinc/20/75/46/551207546.db2.gz VNQXRLYHGGDBRW-TZMCWYRMSA-N 1 0 377.337 2.936 10 0 GFAERO Cc1ccc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c(Br)c1 ZINC000121828862 551243182 /nfs/dbraw/zinc/24/31/82/551243182.db2.gz IGVUVLIPSRZEGL-ZDUSSCGKSA-N 1 0 384.318 2.789 10 0 GFAERO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)ccc1Cl ZINC000150702241 551399971 /nfs/dbraw/zinc/39/99/71/551399971.db2.gz MLWBEECAZLBUQR-CHWSQXEVSA-N 1 0 387.933 2.827 10 0 GFAERO COc1ccc(CN2CCC[N@H+](Cc3cnn(C)c3)CC2)cc1Br ZINC000155155744 551493258 /nfs/dbraw/zinc/49/32/58/551493258.db2.gz ITYUGRHDNDKAGT-UHFFFAOYSA-N 1 0 393.329 2.899 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000155597107 551503296 /nfs/dbraw/zinc/50/32/96/551503296.db2.gz ASLVZINDOYVONH-DIOULYMOSA-N 1 0 381.929 2.988 10 0 GFAERO Cn1cc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc(Br)c1=O ZINC000156204471 551517073 /nfs/dbraw/zinc/51/70/73/551517073.db2.gz WELXSLUXBPLMIR-CYBMUJFWSA-N 1 0 387.322 2.636 10 0 GFAERO CCC[C@@H](C(=O)NCCC(=O)Nc1cc(Br)ccc1C)[NH+](C)C ZINC000161872609 551599956 /nfs/dbraw/zinc/59/99/56/551599956.db2.gz DYYGZQLPHJOPLD-HNNXBMFYSA-N 1 0 384.318 2.933 10 0 GFAERO Cc1c(C(=O)N2CC[C@@H]([NH+](C)C)C2)cnn1-c1ccc(Br)cc1 ZINC000170867881 551641697 /nfs/dbraw/zinc/64/16/97/551641697.db2.gz QXMMYIXGRNISRN-OAHLLOKOSA-N 1 0 377.286 2.719 10 0 GFAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(Cl)c(I)c2)C1 ZINC000170866422 551641928 /nfs/dbraw/zinc/64/19/28/551641928.db2.gz CUQNYNZBHFWZBY-JTQLQIEISA-N 1 0 378.641 2.721 10 0 GFAERO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000170946085 551643390 /nfs/dbraw/zinc/64/33/90/551643390.db2.gz ZQNVWSMFMKSVJN-OAHLLOKOSA-N 1 0 375.270 2.555 10 0 GFAERO O=C(NCC1(c2cccc(Br)c2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172155140 551672047 /nfs/dbraw/zinc/67/20/47/551672047.db2.gz MPLMSPYCVWZTMI-MRXNPFEDSA-N 1 0 378.314 2.970 10 0 GFAERO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179410544 552192336 /nfs/dbraw/zinc/19/23/36/552192336.db2.gz RXWIMXBCEDIKHZ-INIZCTEOSA-N 1 0 389.297 2.863 10 0 GFAERO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1cccc(Br)c1)C(=O)N1CCCCC1 ZINC000182579946 552288075 /nfs/dbraw/zinc/28/80/75/552288075.db2.gz GWUBRROKWOEPTB-UONOGXRCSA-N 1 0 396.329 2.617 10 0 GFAERO C[C@@H]([NH2+]CC(=O)NCCOc1ccc2c(c1)OCO2)c1ccc(Cl)s1 ZINC000182961481 552297550 /nfs/dbraw/zinc/29/75/50/552297550.db2.gz WUVJIKCCWKMQKU-LLVKDONJSA-N 1 0 382.869 2.976 10 0 GFAERO CC[C@H]1CN(C[C@H](O)c2ccc(F)c(Br)c2)CC[N@@H+]1CCOC ZINC000185002393 552350608 /nfs/dbraw/zinc/35/06/08/552350608.db2.gz UBPAOVQWSHAOAR-YOEHRIQHSA-N 1 0 389.309 2.664 10 0 GFAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)NCCc2nccs2)C1 ZINC000190703544 552506344 /nfs/dbraw/zinc/50/63/44/552506344.db2.gz XFKJDWDUINJJCN-CQSZACIVSA-N 1 0 379.555 2.614 10 0 GFAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000192934761 552978643 /nfs/dbraw/zinc/97/86/43/552978643.db2.gz BACNRYNZJNAUGZ-MRXNPFEDSA-N 1 0 379.551 2.903 10 0 GFAERO [NH3+]C[C@H]1CCCN1S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000238057818 553085783 /nfs/dbraw/zinc/08/57/83/553085783.db2.gz IIXUNXZDSDXEMN-SNVBAGLBSA-N 1 0 387.221 2.580 10 0 GFAERO CC[C@@H]1CN(C(=O)[C@H](C)c2ccc(Br)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000245952288 553099829 /nfs/dbraw/zinc/09/98/29/553099829.db2.gz SREOWWVEYKOUQS-CKEIUWERSA-N 1 0 383.330 2.856 10 0 GFAERO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000246305789 553105930 /nfs/dbraw/zinc/10/59/30/553105930.db2.gz JLLYYKWTAIIVFN-GUTXKFCHSA-N 1 0 388.339 2.822 10 0 GFAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000246404627 553106946 /nfs/dbraw/zinc/10/69/46/553106946.db2.gz LPRACSJLGDZCKC-NWDGAFQWSA-N 1 0 378.523 2.655 10 0 GFAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2csc(I)c2)C1 ZINC000246805977 553113642 /nfs/dbraw/zinc/11/36/42/553113642.db2.gz DEGGNZHWTXMPCF-GXSJLCMTSA-N 1 0 378.279 2.811 10 0 GFAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000246928503 553115542 /nfs/dbraw/zinc/11/55/42/553115542.db2.gz HAHUJDZILHWBIZ-SWLSCSKDSA-N 1 0 375.332 2.597 10 0 GFAERO C[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)Oc1ccccc1Br ZINC000247383364 553122129 /nfs/dbraw/zinc/12/21/29/553122129.db2.gz URJONOPFOLSZCH-KGLIPLIRSA-N 1 0 382.302 2.706 10 0 GFAERO CCOCCN1CCN([C@H](C)C(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000247568912 553123899 /nfs/dbraw/zinc/12/38/99/553123899.db2.gz GYFBOGIWJCYXJW-HUUCEWRRSA-N 1 0 398.345 2.819 10 0 GFAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000261638885 553155238 /nfs/dbraw/zinc/15/52/38/553155238.db2.gz KQNHERGTLLDKQM-BTOWRCTQSA-N 1 0 377.286 2.961 10 0 GFAERO CCOC(=O)c1cc2cc(S(=O)(=O)N3CCCC[C@@H]3C[NH3+])ccc2s1 ZINC000262366705 553169717 /nfs/dbraw/zinc/16/97/17/553169717.db2.gz WEZXORQFQGQNOZ-CYBMUJFWSA-N 1 0 382.507 2.580 10 0 GFAERO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(I)c(Cl)c2)C1 ZINC000389951761 563522979 /nfs/dbraw/zinc/52/29/79/563522979.db2.gz DOXLXZUERCSVPE-SNVBAGLBSA-N 1 0 378.641 2.769 10 0 GFAERO COC(=O)c1cc2c(cc1F)[C@@H](NC(=O)OC(C)(C)C)C[C@]1(CC[NH2+]C1)O2 ZINC000725259914 570306975 /nfs/dbraw/zinc/30/69/75/570306975.db2.gz KJCJMDBPFCHHAL-LIRRHRJNSA-N 1 0 380.416 2.693 10 0 GFAERO CCOC(=O)c1ccc2c(c1)[C@@H](NC(=O)OC(C)(C)C)C[C@@]1(CC[NH2+]C1)O2 ZINC000725260135 570307858 /nfs/dbraw/zinc/30/78/58/570307858.db2.gz NEJAQFHCOUAUTG-MGPUTAFESA-N 1 0 376.453 2.944 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2cccc(I)c2)C1 ZINC000127361153 654827501 /nfs/dbraw/zinc/82/75/01/654827501.db2.gz ZZHYHNQALRTUJD-DOMZBBRYSA-N 1 0 386.277 2.679 10 0 GFAERO CC(C)[N@H+]1C[C@H](NC(=O)NCc2cc3c(c(Br)c2)OCO3)[C@@H](C)C1 ZINC000132382229 654936216 /nfs/dbraw/zinc/93/62/16/654936216.db2.gz HROOGJSHWBRGBB-FZMZJTMJSA-N 1 0 398.301 2.706 10 0 GFAERO CN1CC[N@H+](C)CC12CCN(C(=O)NCc1ccc(Cl)cc1Cl)CC2 ZINC000067851081 654946170 /nfs/dbraw/zinc/94/61/70/654946170.db2.gz GOFHSTDROQLSCT-UHFFFAOYSA-N 1 0 385.339 2.915 10 0 GFAERO CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000071193012 654999811 /nfs/dbraw/zinc/99/98/11/654999811.db2.gz SXOJYIGBDNDNMG-SNVBAGLBSA-N 1 0 381.723 2.675 10 0 GFAERO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000107246942 655119298 /nfs/dbraw/zinc/11/92/98/655119298.db2.gz OEFLLRXNUZSHFG-LSDHHAIUSA-N 1 0 384.567 2.513 10 0 GFAERO C[NH+](C)C[C@@H]1CN(Cn2ccc(-c3ccc(Br)cc3)n2)CCO1 ZINC000160647402 655123598 /nfs/dbraw/zinc/12/35/98/655123598.db2.gz SEJDJYGBUQFUBG-MRXNPFEDSA-N 1 0 379.302 2.533 10 0 GFAERO C[C@@H](CNC(=O)N[C@@H](C)c1ccccc1Br)C[NH+]1CCN(C)CC1 ZINC000173400298 655170073 /nfs/dbraw/zinc/17/00/73/655170073.db2.gz FAAONALWDYGSQE-GJZGRUSLSA-N 1 0 397.361 2.693 10 0 GFAERO C[C@H](CNC(=O)N[C@@H](C)c1cccc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000173791962 655181402 /nfs/dbraw/zinc/18/14/02/655181402.db2.gz BKLAWBUNYCCNFI-CABCVRRESA-N 1 0 397.361 2.693 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)CCCOc2ccc(Cl)cc2Cl)CCO1 ZINC000116790434 655253505 /nfs/dbraw/zinc/25/35/05/655253505.db2.gz GDJGAJPFCGPLTA-CQSZACIVSA-N 1 0 375.296 2.941 10 0 GFAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(I)cc1Cl ZINC000193507599 655410690 /nfs/dbraw/zinc/41/06/90/655410690.db2.gz VXGUXUPFSOMEHT-PELKAZGASA-N 1 0 378.641 2.815 10 0 GFAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)c(I)c1 ZINC000238003712 655427001 /nfs/dbraw/zinc/42/70/01/655427001.db2.gz DPSXRRLUZHJCLU-CABZTGNLSA-N 1 0 378.641 2.802 10 0 GFAERO C[C@@H]([NH3+])CC(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000261901031 655442789 /nfs/dbraw/zinc/44/27/89/655442789.db2.gz VBIVTFFZHCVVRS-SNVBAGLBSA-N 1 0 394.235 2.854 10 0 GFAERO COC[C@H]([NH3+])C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000262349065 655445244 /nfs/dbraw/zinc/44/52/44/655445244.db2.gz UGGIGJKVMGSYCB-CABZTGNLSA-N 1 0 384.299 2.724 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]Cc2sccc2Br)C1 ZINC000702764938 655521763 /nfs/dbraw/zinc/52/17/63/655521763.db2.gz PTIVHZOEPJZHAI-CMPLNLGQSA-N 1 0 391.331 2.828 10 0 GFAERO CC(C)(C)n1nc(Br)c2c1ncnc2N1CC[N@@H+]2CCC[C@H]2C1 ZINC000891762929 663349655 /nfs/dbraw/zinc/34/96/55/663349655.db2.gz LAKZCIPAZZQCDS-NSHDSACASA-N 1 0 379.306 2.628 10 0 GFAERO CC(C)/C=C/C(=O)N1CCC([NH+]2CCC(C(=O)NCc3ccccn3)CC2)CC1 ZINC000011668073 204350095 /nfs/dbraw/zinc/35/00/95/204350095.db2.gz WPFKBAMASQCQIC-VOTSOKGWSA-N 1 0 398.551 2.613 10 0 GFAERO C[C@@H]([NH2+]Cc1c(C(=O)N2CCOCC2)nc2ccccn21)c1ccc(F)cc1 ZINC000082039543 205385986 /nfs/dbraw/zinc/38/59/86/205385986.db2.gz LQGLPHBNBBKQQB-OAHLLOKOSA-N 1 0 382.439 2.797 10 0 GFAERO O=C(c1cc(CC2([NH2+]Cc3c[nH]c4ccccc34)COC2)no1)N1CCCCC1 ZINC000096296165 206121656 /nfs/dbraw/zinc/12/16/56/206121656.db2.gz PVHYAJULFXAVTJ-UHFFFAOYSA-N 1 0 394.475 2.883 10 0 GFAERO Cn1ncc2cc(NC(=O)c3ccc(CN4CC[C@H]([NH+](C)C)C4)cc3)ccc21 ZINC000065457082 222129756 /nfs/dbraw/zinc/12/97/56/222129756.db2.gz UUFJWNMWUYMRPO-FQEVSTJZSA-N 1 0 377.492 2.962 10 0 GFAERO O=c1c2sccc2nc(N2CC[NH2+]CC2)n1Cc1c(F)cccc1Cl ZINC000057344436 527472600 /nfs/dbraw/zinc/47/26/00/527472600.db2.gz GKSOUGYPOKKHJI-UHFFFAOYSA-N 1 0 378.860 2.708 10 0 GFAERO Clc1ccc(I)c(CN2CC[C@H]3OCC[NH2+][C@H]3C2)c1 ZINC000405321809 563538649 /nfs/dbraw/zinc/53/86/49/563538649.db2.gz ZOKQCMFOGUUQSO-UONOGXRCSA-N 1 0 392.668 2.507 10 0 GFAERO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1ccccc1Br)c1ccccc1 ZINC000049379015 551158430 /nfs/dbraw/zinc/15/84/30/551158430.db2.gz PBWPPIZAOOYFIW-INIZCTEOSA-N 1 0 390.281 2.807 10 0 GFAERO C[NH+](C)C[C@H]1CN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)CCO1 ZINC000128065316 551345890 /nfs/dbraw/zinc/34/58/90/551345890.db2.gz RGOHHOOSEKTHRW-HNNXBMFYSA-N 1 0 379.302 2.602 10 0 GFAERO C[NH+](C)C[C@H](NC(=O)c1cncc(I)c1)c1ccccc1 ZINC000156340894 551520396 /nfs/dbraw/zinc/52/03/96/551520396.db2.gz JMXBXRSRIQNNGQ-HNNXBMFYSA-N 1 0 395.244 2.719 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(F)c(I)c1 ZINC000159122663 551561534 /nfs/dbraw/zinc/56/15/34/551561534.db2.gz WSLZMBBOHFMWEM-LBPRGKRZSA-N 1 0 390.240 2.987 10 0 GFAERO CC[C@@H]1CN(C(=O)NCc2ccc(Br)s2)CC[N@@H+]1CCOC ZINC000172326755 551676619 /nfs/dbraw/zinc/67/66/19/551676619.db2.gz SSHZAAIEPUECJH-GFCCVEGCSA-N 1 0 390.347 2.763 10 0 GFAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(Br)s3)C2=O)n(C)n1 ZINC000173851058 552094312 /nfs/dbraw/zinc/09/43/12/552094312.db2.gz HVLRDUWADDPGNY-GFCCVEGCSA-N 1 0 383.315 2.838 10 0 GFAERO OC[C@@H]1c2ccccc2CC[N@H+]1C[C@H](O)COc1cccc(Br)c1 ZINC000177826632 552159467 /nfs/dbraw/zinc/15/94/67/552159467.db2.gz LCVZNWWMOZWEPN-QFBILLFUSA-N 1 0 392.293 2.781 10 0 GFAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(Br)c3cccnc23)C[C@@H]1C ZINC000180099082 552213529 /nfs/dbraw/zinc/21/35/29/552213529.db2.gz INVIZNANRLBZOC-UONOGXRCSA-N 1 0 378.314 2.884 10 0 GFAERO CC[C@@H]1CN(C(=O)NCc2ccc(Br)cc2C)CC[N@@H+]1C[C@@H](C)O ZINC000181740955 552267095 /nfs/dbraw/zinc/26/70/95/552267095.db2.gz JMTRKQSYLNIQTM-RHSMWYFYSA-N 1 0 398.345 2.744 10 0 GFAERO CC(C)COC[C@@H](O)C[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186127217 552379966 /nfs/dbraw/zinc/37/99/66/552379966.db2.gz HXRHICZTCFGKBJ-ZWKOTPCHSA-N 1 0 394.313 2.952 10 0 GFAERO COc1ccc(Br)c(S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000188223238 552439849 /nfs/dbraw/zinc/43/98/49/552439849.db2.gz QMJUAJJWYZNJRK-LBPRGKRZSA-N 1 0 393.347 2.712 10 0 GFAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)c2cc(N)nc(Cl)c2)C1 ZINC000190537944 552500473 /nfs/dbraw/zinc/50/04/73/552500473.db2.gz PFFLDPDYEQSOEY-GFCCVEGCSA-N 1 0 379.917 2.676 10 0 GFAERO Cc1cnc(CNC(=O)N2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)s1 ZINC000190720115 552506863 /nfs/dbraw/zinc/50/68/63/552506863.db2.gz DOHQPESXHHSWSQ-AWEZNQCLSA-N 1 0 379.555 2.880 10 0 GFAERO Cc1c(Br)ccc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)c1F ZINC000194212075 553015002 /nfs/dbraw/zinc/01/50/02/553015002.db2.gz BLFIJCAGTWOCPI-LBPRGKRZSA-N 1 0 388.281 2.865 10 0 GFAERO Cc1csc([C@H]2CCCN(C[C@H](O)c3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000195322325 553044768 /nfs/dbraw/zinc/04/47/68/553044768.db2.gz VFZPQRXXGHMQOM-RDJZCZTQSA-N 1 0 380.535 2.768 10 0 GFAERO Cn1nccc1C1CC[NH+](C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000195503995 553051057 /nfs/dbraw/zinc/05/10/57/553051057.db2.gz SCJZEBAQJLFRQM-INIZCTEOSA-N 1 0 394.313 2.802 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000246165261 553103700 /nfs/dbraw/zinc/10/37/00/553103700.db2.gz MEXISAVLXHBZNW-ZWNOBZJWSA-N 1 0 379.295 2.595 10 0 GFAERO CC[C@@H]1CN(C(=O)[C@@H](C)c2ccc(Br)s2)CC[N@@H+]1C[C@H](C)O ZINC000246964144 553116783 /nfs/dbraw/zinc/11/67/83/553116783.db2.gz SXBINGOJQKBZDO-RWMBFGLXSA-N 1 0 389.359 2.918 10 0 GFAERO C[N@H+](C[C@H](O)c1cccc(Br)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000247869136 553125852 /nfs/dbraw/zinc/12/58/52/553125852.db2.gz XGLVVYICTYYNAB-IRXDYDNUSA-N 1 0 391.313 2.873 10 0 GFAERO Cc1cnc(CNC(=O)NC[C@@H](c2cccs2)N2CCO[C@@H](C)C2)s1 ZINC000248368377 553128898 /nfs/dbraw/zinc/12/88/98/553128898.db2.gz VDEDOSHILXWRPW-JSGCOSHPSA-N 1 0 380.539 2.774 10 0 GFAERO CC[C@@H]1CN(C(=O)NCc2cccc(C)c2Br)CC[N@@H+]1C[C@H](C)O ZINC000248722809 553134002 /nfs/dbraw/zinc/13/40/02/553134002.db2.gz TXYHZTZRTIOQIH-GOEBONIOSA-N 1 0 398.345 2.744 10 0 GFAERO CC[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC[N@@H+]1C[C@H](C)O ZINC000249557782 553144205 /nfs/dbraw/zinc/14/42/05/553144205.db2.gz KLHLYJLLYQGVBH-NWDGAFQWSA-N 1 0 382.917 2.709 10 0 GFAERO COc1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261660957 553155671 /nfs/dbraw/zinc/15/56/71/553155671.db2.gz IHOVNXDXNVLXGR-ZBFHGGJFSA-N 1 0 380.897 2.712 10 0 GFAERO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)Oc1ccc(Br)cc1 ZINC000261934791 553163040 /nfs/dbraw/zinc/16/30/40/553163040.db2.gz MCTMVVNHXZONAZ-BVPBIZIASA-N 1 0 383.330 2.963 10 0 GFAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000282530357 563414397 /nfs/dbraw/zinc/41/43/97/563414397.db2.gz YZUAWTBGVQQKAB-QPUJVOFHSA-N 1 0 376.092 2.968 10 0 GFAERO COCCC1(C(=O)Nc2cccc(I)c2)CC[NH2+]CC1 ZINC000591592425 565233741 /nfs/dbraw/zinc/23/37/41/565233741.db2.gz RZISMMBUIGACAU-UHFFFAOYSA-N 1 0 388.249 2.636 10 0 GFAERO [NH3+]C[C@H]1CN(c2ccc(I)cn2)CC[C@H]1C(F)(F)F ZINC000600863402 565752905 /nfs/dbraw/zinc/75/29/05/565752905.db2.gz MDXASMWWUJSONT-WCBMZHEXSA-N 1 0 385.171 2.650 10 0 GFAERO CC[C@H](C)[C@@H]([NH2+]C[C@@H](O)COC(C)C)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000169681297 570904725 /nfs/dbraw/zinc/90/47/25/570904725.db2.gz XCABMVCFTQFCMT-JCKWVBRZSA-N 1 0 391.468 2.928 10 0 GFAERO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2N)CC1 ZINC000226263761 570935736 /nfs/dbraw/zinc/93/57/36/570935736.db2.gz HMXKSNHJZLLOJM-UHFFFAOYSA-N 1 0 384.480 2.680 10 0 GFAERO Cc1cc(C)c(C(=O)N2CCC[C@@H](C(=O)NCC[N@@H+](C)Cc3ccccc3)C2)[nH]1 ZINC000085620478 570975797 /nfs/dbraw/zinc/97/57/97/570975797.db2.gz GWGXBUHDJCVZSG-HXUWFJFHSA-N 1 0 396.535 2.732 10 0 GFAERO O=C(N[C@@H]1CC[NH2+]C1)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000126259926 654811551 /nfs/dbraw/zinc/81/15/51/654811551.db2.gz PWVAVWKDICMHQK-CYBMUJFWSA-N 1 0 389.297 2.605 10 0 GFAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(I)c(Cl)c1 ZINC000131158487 654897219 /nfs/dbraw/zinc/89/72/19/654897219.db2.gz OHATZAHOGLGWOY-JTQLQIEISA-N 1 0 378.641 2.898 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000134875218 655004829 /nfs/dbraw/zinc/00/48/29/655004829.db2.gz BWCLXVWVFFQRNH-ZDUSSCGKSA-N 1 0 375.300 2.893 10 0 GFAERO CC[C@H]1CN(CCC(=O)Nc2ccccc2Br)CC[N@@H+]1CCOC ZINC000106113836 655103273 /nfs/dbraw/zinc/10/32/73/655103273.db2.gz PRSAYSXKWDERQU-HNNXBMFYSA-N 1 0 398.345 2.820 10 0 GFAERO O[C@H](CNCc1nc(-c2ccc(Br)cc2)c[nH]1)C[NH+]1CCCCC1 ZINC000112372712 655190151 /nfs/dbraw/zinc/19/01/51/655190151.db2.gz MBBFPAMKXJFWOH-MRXNPFEDSA-N 1 0 393.329 2.776 10 0 GFAERO Cc1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1I ZINC000113231130 655205655 /nfs/dbraw/zinc/20/56/55/655205655.db2.gz OMCORBPTMKZGET-JSGCOSHPSA-N 1 0 384.261 2.908 10 0 GFAERO COc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc(OC)c1Br ZINC000113232071 655205717 /nfs/dbraw/zinc/20/57/17/655205717.db2.gz ZPOPYJXRMRBWAP-WCQYABFASA-N 1 0 383.286 2.775 10 0 GFAERO Cc1cc(CCC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)ccc1Br ZINC000176185685 655238856 /nfs/dbraw/zinc/23/88/56/655238856.db2.gz LSLQAOBCPCDVJJ-HUUCEWRRSA-N 1 0 383.330 2.604 10 0 GFAERO C[C@H](Sc1ccc(Br)cc1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116783671 655253319 /nfs/dbraw/zinc/25/33/19/655253319.db2.gz ISFJLGBJYAPCGO-GXTWGEPZSA-N 1 0 387.343 2.719 10 0 GFAERO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CCO1 ZINC000116900602 655256149 /nfs/dbraw/zinc/25/61/49/655256149.db2.gz QDFFECRWUBBSQR-SNVBAGLBSA-N 1 0 387.716 2.598 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)NCCCOc2ccc(Cl)cc2Cl)CCO1 ZINC000117040475 655258777 /nfs/dbraw/zinc/25/87/77/655258777.db2.gz HAXFVLVEQIGJSA-CQSZACIVSA-N 1 0 390.311 2.734 10 0 GFAERO CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117261636 655262414 /nfs/dbraw/zinc/26/24/14/655262414.db2.gz VJSKXVOZYJLUGH-DOTOQJQBSA-N 1 0 383.330 2.807 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(Br)cc1-n1cncn1 ZINC000119207755 655292889 /nfs/dbraw/zinc/29/28/89/655292889.db2.gz YMUGMYBAYXGMSC-AWEZNQCLSA-N 1 0 392.301 2.586 10 0 GFAERO C[C@@H]([NH3+])CCNC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000178627902 655306252 /nfs/dbraw/zinc/30/62/52/655306252.db2.gz ZYMPVKDGZRTWNC-GFCCVEGCSA-N 1 0 391.313 2.981 10 0 GFAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000237997674 655426820 /nfs/dbraw/zinc/42/68/20/655426820.db2.gz TUUODIUPNAOAET-UVBJJODRSA-N 1 0 384.307 2.842 10 0 GFAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000238035357 655427050 /nfs/dbraw/zinc/42/70/50/655427050.db2.gz GTXKCKMWNQXKAB-XZJROXQQSA-N 1 0 384.307 2.842 10 0 GFAERO COCCN1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)C[C@@H]1C ZINC000246325415 655429832 /nfs/dbraw/zinc/42/98/32/655429832.db2.gz FSJIAQUMTIQGGG-BLLLJJGKSA-N 1 0 375.296 2.596 10 0 GFAERO C[C@@H]([NH2+]Cc1cn(C)nc1Br)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000720661574 655524633 /nfs/dbraw/zinc/52/46/33/655524633.db2.gz ZHOZRWQVLJOVTK-NEPJUHHUSA-N 1 0 387.322 2.918 10 0 GFAERO O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CCCC[N@@H+]1CCCn1cccn1 ZINC000012004579 204366837 /nfs/dbraw/zinc/36/68/37/204366837.db2.gz RNGKXSPFNXQZPA-HXUWFJFHSA-N 1 0 378.480 2.952 10 0 GFAERO C[C@H]1CN(Cc2cccc(-c3nc(-c4ccncc4)cc(=O)[nH]3)c2)CC[N@@H+]1C ZINC000067788041 205260097 /nfs/dbraw/zinc/26/00/97/205260097.db2.gz NOSXFTOEBNSTCA-INIZCTEOSA-N 1 0 375.476 2.635 10 0 GFAERO CN(Cc1cccc(Cl)c1)c1ncc(S(C)(=O)=O)c([C@H]2CCC[NH2+]C2)n1 ZINC000071751886 205292208 /nfs/dbraw/zinc/29/22/08/205292208.db2.gz HYWXLAWUAUWBPX-AWEZNQCLSA-N 1 0 394.928 2.637 10 0 GFAERO CNC(=O)c1cccnc1NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082096324 205386322 /nfs/dbraw/zinc/38/63/22/205386322.db2.gz UWFMLTBNSUFVLO-UHFFFAOYSA-N 1 0 382.512 2.788 10 0 GFAERO O=C(NCCc1cccnc1)c1ccc(N2CC[NH2+][C@H](c3ccccc3)C2)nc1 ZINC000065256104 136162041 /nfs/dbraw/zinc/16/20/41/136162041.db2.gz LOBBOLDVMTZVIV-NRFANRHFSA-N 1 0 387.487 2.600 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)Cc1ccc(Br)cc1 ZINC000121197696 551229648 /nfs/dbraw/zinc/22/96/48/551229648.db2.gz XRYLTACMJNNBHJ-HNNXBMFYSA-N 1 0 375.332 2.695 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1c(F)cccc1I ZINC000121805167 551243423 /nfs/dbraw/zinc/24/34/23/551243423.db2.gz VQUCFFLHILHERU-NSHDSACASA-N 1 0 390.240 2.987 10 0 GFAERO CC(C)C[N@@H+](Cc1ccccc1Br)C[C@@H](O)CN1CCCC1=O ZINC000122553824 551299639 /nfs/dbraw/zinc/29/96/39/551299639.db2.gz LKPCCFKNIRLKIP-MRXNPFEDSA-N 1 0 383.330 2.890 10 0 GFAERO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1Br ZINC000150777989 551401285 /nfs/dbraw/zinc/40/12/85/551401285.db2.gz GAXSOKGBCAQOIO-SWLSCSKDSA-N 1 0 382.302 2.541 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000152150827 551427550 /nfs/dbraw/zinc/42/75/50/551427550.db2.gz JHEISEAZWRYJRC-NSHDSACASA-N 1 0 376.910 2.563 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)c2c(F)cccc2I)C1 ZINC000155677879 551505936 /nfs/dbraw/zinc/50/59/36/551505936.db2.gz GRSIQDLUTMCXOY-JTQLQIEISA-N 1 0 376.213 2.644 10 0 GFAERO COC(=O)Cc1csc(NC(=O)C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000157651279 551540911 /nfs/dbraw/zinc/54/09/11/551540911.db2.gz MMFXCVBUNDLPPK-SECBINFHSA-N 1 0 385.848 2.940 10 0 GFAERO CC(C)[N@H+]1C[C@H](NC(=O)Cc2cc3c(cc2Br)OCCO3)[C@@H](C)C1 ZINC000159078577 551560900 /nfs/dbraw/zinc/56/09/00/551560900.db2.gz NXNKOFPEKDFGLF-WFASDCNBSA-N 1 0 397.313 2.608 10 0 GFAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(Cl)ccc2I)C1 ZINC000170866219 551641497 /nfs/dbraw/zinc/64/14/97/551641497.db2.gz ZKGRSWQYIYBNGO-SNVBAGLBSA-N 1 0 378.641 2.721 10 0 GFAERO Cn1cc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(Br)cc2)cn1 ZINC000171412697 551655220 /nfs/dbraw/zinc/65/52/20/551655220.db2.gz GFMFBTJFIDIIJE-DOTOQJQBSA-N 1 0 380.286 2.759 10 0 GFAERO O=C([C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171757011 551662834 /nfs/dbraw/zinc/66/28/34/551662834.db2.gz LYEPKDBGMWNLEZ-ZIAGYGMSSA-N 1 0 382.291 2.653 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000172119702 551670918 /nfs/dbraw/zinc/67/09/18/551670918.db2.gz YKWPRLRXFYDJEC-CYBMUJFWSA-N 1 0 395.276 2.988 10 0 GFAERO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172908001 551689873 /nfs/dbraw/zinc/68/98/73/551689873.db2.gz ZHCRHQCXPFARCJ-XJKSGUPXSA-N 1 0 379.298 2.965 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCS(=O)(=O)c1cccc(Br)c1 ZINC000175788514 552129341 /nfs/dbraw/zinc/12/93/41/552129341.db2.gz IEEZMEGDQDEMMH-OAHLLOKOSA-N 1 0 389.359 2.639 10 0 GFAERO COc1ccc(Br)c(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000176862543 552147843 /nfs/dbraw/zinc/14/78/43/552147843.db2.gz UNERWQPYURBPGH-CYBMUJFWSA-N 1 0 399.329 2.623 10 0 GFAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)C[C@H]1C ZINC000179506425 552195306 /nfs/dbraw/zinc/19/53/06/552195306.db2.gz ZFMJMYWVTGDJAN-HUUCEWRRSA-N 1 0 393.329 2.522 10 0 GFAERO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000179652939 552198920 /nfs/dbraw/zinc/19/89/20/552198920.db2.gz XWKUZYUWJIOCFQ-LBPRGKRZSA-N 1 0 390.281 2.703 10 0 GFAERO CC[C@@H]1CN(C(=O)Nc2ccc(Br)nc2C)CC[N@@H+]1CCOC ZINC000181358171 552254013 /nfs/dbraw/zinc/25/40/13/552254013.db2.gz GVJBSNVJNHIOGV-CYBMUJFWSA-N 1 0 385.306 2.727 10 0 GFAERO C[C@H]([NH2+]CC(=O)NCCOc1ccc2c(c1)OCO2)c1ccc(Cl)s1 ZINC000182961464 552297548 /nfs/dbraw/zinc/29/75/48/552297548.db2.gz WUVJIKCCWKMQKU-NSHDSACASA-N 1 0 382.869 2.976 10 0 GFAERO Cc1cnn(CC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)c1 ZINC000188728398 552453532 /nfs/dbraw/zinc/45/35/32/552453532.db2.gz ZXMZWAJQCMKMSB-UHFFFAOYSA-N 1 0 379.302 2.580 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2cc(Br)c(F)cc2F)CCO1 ZINC000189062812 552461783 /nfs/dbraw/zinc/46/17/83/552461783.db2.gz ICKPFXKSOQWIRW-VIFPVBQESA-N 1 0 378.217 2.522 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000191911363 552542111 /nfs/dbraw/zinc/54/21/11/552542111.db2.gz BGNHNTBSMKHQQE-JTQLQIEISA-N 1 0 376.284 2.787 10 0 GFAERO C[C@@H]([NH2+]CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)c1cccs1 ZINC000192866294 552976673 /nfs/dbraw/zinc/97/66/73/552976673.db2.gz QLDJYFSVOBPHKJ-GDBMZVCRSA-N 1 0 384.567 2.747 10 0 GFAERO O[C@@H](COc1cccc(Br)c1)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193692749 553000273 /nfs/dbraw/zinc/00/02/73/553000273.db2.gz VSEUFGPQDKDPEC-DZGCQCFKSA-N 1 0 380.286 2.792 10 0 GFAERO COCC[NH+]1CCC(NC(=O)N[C@H](C)c2cccc(Br)c2)CC1 ZINC000195141169 553039349 /nfs/dbraw/zinc/03/93/49/553039349.db2.gz SPXSRGYHNMWYSU-CYBMUJFWSA-N 1 0 384.318 2.920 10 0 GFAERO O[C@@H](COc1cccc(Br)c1)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195507087 553050990 /nfs/dbraw/zinc/05/09/90/553050990.db2.gz DEENBWOMGUHYBF-OAHLLOKOSA-N 1 0 380.286 2.792 10 0 GFAERO CN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000226462795 553061468 /nfs/dbraw/zinc/06/14/68/553061468.db2.gz NJNOCGMTXAJMPL-LLVKDONJSA-N 1 0 381.723 2.865 10 0 GFAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1I ZINC000226232839 553061535 /nfs/dbraw/zinc/06/15/35/553061535.db2.gz XFVWUHZKBXLIMP-JTQLQIEISA-N 1 0 378.641 2.898 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000245498599 553091250 /nfs/dbraw/zinc/09/12/50/553091250.db2.gz WNPGUSJYXTZCKB-RYUDHWBXSA-N 1 0 376.448 2.973 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@@H](CO)c2cccc(Br)c2)C1 ZINC000246572129 553109947 /nfs/dbraw/zinc/10/99/47/553109947.db2.gz BUCSLHICQFNBJN-WQVCFCJDSA-N 1 0 384.318 2.510 10 0 GFAERO CC[C@H]1CN(C(=O)CCc2ccccc2Br)CC[N@@H+]1C[C@H](C)O ZINC000246692716 553111323 /nfs/dbraw/zinc/11/13/23/553111323.db2.gz BOSBQMLDNBFGCA-HOCLYGCPSA-N 1 0 383.330 2.685 10 0 GFAERO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246707161 553111777 /nfs/dbraw/zinc/11/17/77/553111777.db2.gz NOCDQQGXRGSHDX-MAUKXSAKSA-N 1 0 393.281 2.737 10 0 GFAERO Cc1ccc(I)c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000246832732 553114064 /nfs/dbraw/zinc/11/40/64/553114064.db2.gz CUWWOPKPLFVZBW-OLZOCXBDSA-N 1 0 384.261 2.908 10 0 GFAERO C[C@H](O)CN1CCN(C(=O)c2ccc(Br)cc2Cl)C[C@@H]1C ZINC000246925594 553115885 /nfs/dbraw/zinc/11/58/85/553115885.db2.gz YZWSTVTTWJNEHH-QWRGUYRKSA-N 1 0 375.694 2.630 10 0 GFAERO CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC[N@@H+]1C[C@@H](C)O ZINC000247048526 553118066 /nfs/dbraw/zinc/11/80/66/553118066.db2.gz YLIWHCVXVRFBKJ-NKGKWGDASA-N 1 0 395.341 2.856 10 0 GFAERO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247609249 553124077 /nfs/dbraw/zinc/12/40/77/553124077.db2.gz MCYZHYJNKYAHFF-ZIAGYGMSSA-N 1 0 392.301 2.780 10 0 GFAERO O[C@@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247771502 553125245 /nfs/dbraw/zinc/12/52/45/553125245.db2.gz PHTPFMLJNRZSRQ-UKRRQHHQSA-N 1 0 385.295 2.737 10 0 GFAERO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247771500 553125272 /nfs/dbraw/zinc/12/52/72/553125272.db2.gz PHTPFMLJNRZSRQ-HIFRSBDPSA-N 1 0 385.295 2.737 10 0 GFAERO CC[C@@H]1CN([C@H](C)C(=O)Nc2ccc(Br)cc2)CC[N@@H+]1CCOC ZINC000247874731 553126083 /nfs/dbraw/zinc/12/60/83/553126083.db2.gz YIUDFKOSJFALMH-RHSMWYFYSA-N 1 0 398.345 2.819 10 0 GFAERO CCN1CCC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)C1 ZINC000248712396 553133946 /nfs/dbraw/zinc/13/39/46/553133946.db2.gz QJQQKHJYKFCCBU-UKRRQHHQSA-N 1 0 390.933 2.516 10 0 GFAERO CC[C@H]1CN(C(=O)Cc2cccc(Br)c2C)CC[N@@H+]1C[C@H](C)O ZINC000249713140 553145801 /nfs/dbraw/zinc/14/58/01/553145801.db2.gz ZHPONOYNHANFLR-BBRMVZONSA-N 1 0 383.330 2.604 10 0 GFAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3ncc(Br)cc3Br)C[C@H]12 ZINC000261584410 553153625 /nfs/dbraw/zinc/15/36/25/553153625.db2.gz SEKRSYHQDNSJCT-PTOFAABTSA-N 1 0 375.108 2.776 10 0 GFAERO COC[C@@H]([NH3+])C(=O)N[C@@H](c1ccccc1)c1ccc(OC)c(Br)c1 ZINC000262564385 553172609 /nfs/dbraw/zinc/17/26/09/553172609.db2.gz RIPGHJBFJQEHNY-WBVHZDCISA-N 1 0 393.281 2.637 10 0 GFAERO C[N@@H+]1CCO[C@H]2CN(c3nn4cc(-c5ccc(Cl)cc5)nc4s3)C[C@@H]21 ZINC000302390127 563424496 /nfs/dbraw/zinc/42/44/96/563424496.db2.gz DBHVDTHBUQJMKM-GJZGRUSLSA-N 1 0 375.885 2.630 10 0 GFAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000290107950 563698757 /nfs/dbraw/zinc/69/87/57/563698757.db2.gz KVLGAQPWUDMQAS-PELKAZGASA-N 1 0 376.092 2.968 10 0 GFAERO Cc1cc(I)ccc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000593903211 565366039 /nfs/dbraw/zinc/36/60/39/565366039.db2.gz RRIUSSGDXLPENK-NXEZZACHSA-N 1 0 398.166 2.936 10 0 GFAERO COC(=O)c1cc2c(cc1F)[C@@H]([NH3+])C[C@]1(CCN(C(=O)OC(C)(C)C)C1)O2 ZINC000725260147 570308524 /nfs/dbraw/zinc/30/85/24/570308524.db2.gz NGPXGZMLKZJRKR-LIRRHRJNSA-N 1 0 380.416 2.774 10 0 GFAERO O=C(C[C@@H]1C(=O)NCC[N@@H+]1C1CCCC1)N1CCC(Cc2ccccc2)CC1 ZINC000012701532 570966268 /nfs/dbraw/zinc/96/62/68/570966268.db2.gz ZVOWCBNOFYPFFK-OAQYLSRUSA-N 1 0 383.536 2.601 10 0 GFAERO CCN1CCC[C@H]1C[N@H+](C)Cn1nc(Br)c(=O)c2ccccc21 ZINC000124258045 654772874 /nfs/dbraw/zinc/77/28/74/654772874.db2.gz NHBVRBHJMKKOCT-ZDUSSCGKSA-N 1 0 379.302 2.533 10 0 GFAERO Cc1cc(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)ccc1Br ZINC000125632958 654800073 /nfs/dbraw/zinc/80/00/73/654800073.db2.gz YCUDWPDTOJFHFT-AWEZNQCLSA-N 1 0 383.330 2.922 10 0 GFAERO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000134602626 654997362 /nfs/dbraw/zinc/99/73/62/654997362.db2.gz FQVJOJHTKGJDRX-OAHLLOKOSA-N 1 0 377.286 2.719 10 0 GFAERO CCn1cnnc1[C@@H]1CCC[N@H+](C[C@H](O)c2cccc(Br)c2)C1 ZINC000103476079 655073236 /nfs/dbraw/zinc/07/32/36/655073236.db2.gz VAEGHOZIHMMWNR-ZBFHGGJFSA-N 1 0 379.302 2.974 10 0 GFAERO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000107246940 655119206 /nfs/dbraw/zinc/11/92/06/655119206.db2.gz OEFLLRXNUZSHFG-CABCVRRESA-N 1 0 384.567 2.513 10 0 GFAERO CC[C@H]([NH2+][C@@H](C)CS(=O)(=O)CC)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188687759 655381572 /nfs/dbraw/zinc/38/15/72/655381572.db2.gz YSTBPLXXFHKYQA-HRCADAONSA-N 1 0 376.563 2.967 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)/C=C/c2ccc(I)o2)C1 ZINC000246739751 655430581 /nfs/dbraw/zinc/43/05/81/655430581.db2.gz AXSBJLAGNKEWJP-BVKQBWKVSA-N 1 0 388.249 2.742 10 0 GFAERO COC[C@@H]([NH3+])C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000262349062 655445238 /nfs/dbraw/zinc/44/52/38/655445238.db2.gz UGGIGJKVMGSYCB-BXKDBHETSA-N 1 0 384.299 2.724 10 0 GFAERO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000262651462 655446543 /nfs/dbraw/zinc/44/65/43/655446543.db2.gz YCAJYXKNKOQOLR-VYDXJSESSA-N 1 0 383.330 2.888 10 0 GFAERO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC(F)(F)CN2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000263039916 655448926 /nfs/dbraw/zinc/44/89/26/655448926.db2.gz SSFVFZVJIPUCKW-UGFHNGPFSA-N 1 0 375.822 2.585 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+]Cc2ccc(Br)cc2)C1 ZINC000702781907 655521849 /nfs/dbraw/zinc/52/18/49/655521849.db2.gz AAYZLCADZGXICY-HIFRSBDPSA-N 1 0 385.302 2.767 10 0 GFAERO C[C@@H](O)C[N@@H+]1CCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)C[C@H]1C ZINC000120634363 677397512 /nfs/dbraw/zinc/39/75/12/677397512.db2.gz IUINWRDBKVGEMD-ZIAGYGMSSA-N 1 0 393.329 2.726 10 0 GFAERO C[C@@H]1CCC[N@H+](CCCNC(=O)c2cc3c(c4ccccc4n(C)c3=O)n2C)C1 ZINC000004938939 204095427 /nfs/dbraw/zinc/09/54/27/204095427.db2.gz KMTKKZKUVWSZPM-MRXNPFEDSA-N 1 0 394.519 2.882 10 0 GFAERO CCOc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3CCOC)C2)ccc1OC ZINC000012132259 204374121 /nfs/dbraw/zinc/37/41/21/204374121.db2.gz AHPADJXWTBXPMS-MSOLQXFVSA-N 1 0 376.497 2.553 10 0 GFAERO C[C@H](CNC(=O)c1cc2ncccn2n1)Oc1cccc(C[NH+]2CCCC2)c1 ZINC000299787567 206190639 /nfs/dbraw/zinc/19/06/39/206190639.db2.gz PEQMHWSUDYDZKJ-MRXNPFEDSA-N 1 0 379.464 2.522 10 0 GFAERO COc1ccc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1Br ZINC000113610763 551208322 /nfs/dbraw/zinc/20/83/22/551208322.db2.gz DSHMYRKOBDLELO-GXTWGEPZSA-N 1 0 382.302 2.836 10 0 GFAERO C[C@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1ccccc1Br ZINC000119680326 551218433 /nfs/dbraw/zinc/21/84/33/551218433.db2.gz UZCHGUQREBXRAG-LBPRGKRZSA-N 1 0 399.310 2.826 10 0 GFAERO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000121830790 551243807 /nfs/dbraw/zinc/24/38/07/551243807.db2.gz JZLSVYGDLAKRGJ-AWEZNQCLSA-N 1 0 384.318 2.789 10 0 GFAERO CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cc(O)ccc2Br)ncn1 ZINC000127112524 551336552 /nfs/dbraw/zinc/33/65/52/551336552.db2.gz LVUQYZZHSFHJCB-CYBMUJFWSA-N 1 0 392.301 2.745 10 0 GFAERO C[C@@H]([NH2+][C@H](C)c1cccc(Br)c1)C(=O)NC(=O)NCC(F)(F)F ZINC000130924509 551370496 /nfs/dbraw/zinc/37/04/96/551370496.db2.gz BEARYHANZGYWGW-RKDXNWHRSA-N 1 0 396.207 2.876 10 0 GFAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2c(F)cccc2Br)CC1 ZINC000151151262 551408127 /nfs/dbraw/zinc/40/81/27/551408127.db2.gz ZXCMNCSDZXSHTN-GFCCVEGCSA-N 1 0 387.293 2.753 10 0 GFAERO CCn1cnnc1C1CC[NH+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000155417706 551499398 /nfs/dbraw/zinc/49/93/98/551499398.db2.gz RMQWXAGXFPLWGU-MRXNPFEDSA-N 1 0 379.302 2.974 10 0 GFAERO CCC[C@H](C(=O)NCCc1ccc(I)s1)[NH+](C)C ZINC000161955249 551601320 /nfs/dbraw/zinc/60/13/20/551601320.db2.gz FDAHMEXXLFASHF-LLVKDONJSA-N 1 0 380.295 2.742 10 0 GFAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(Cl)c(I)c2)C1 ZINC000170866419 551641434 /nfs/dbraw/zinc/64/14/34/551641434.db2.gz CUQNYNZBHFWZBY-SNVBAGLBSA-N 1 0 378.641 2.721 10 0 GFAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000174744284 552109279 /nfs/dbraw/zinc/10/92/79/552109279.db2.gz FAJJMFOVUORLKZ-GFCCVEGCSA-N 1 0 388.281 2.619 10 0 GFAERO Brc1ccc(-n2cc(C[N@@H+]3CC[C@@H](N4CCOCC4)C3)cn2)cc1 ZINC000179845836 552204861 /nfs/dbraw/zinc/20/48/61/552204861.db2.gz IZRXVUWSRILFAA-GOSISDBHSA-N 1 0 391.313 2.541 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000181664628 552264877 /nfs/dbraw/zinc/26/48/77/552264877.db2.gz ILCNXUDTNLYAOU-JTQLQIEISA-N 1 0 377.819 2.726 10 0 GFAERO CC[C@@H](O)C[NH+]1CCN(CCCc2ccc(Br)cc2OC)CC1 ZINC000181922836 552271178 /nfs/dbraw/zinc/27/11/78/552271178.db2.gz QHDUBACGASZIJQ-QGZVFWFLSA-N 1 0 385.346 2.779 10 0 GFAERO Cc1cc(Br)ccc1CC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000182276543 552280043 /nfs/dbraw/zinc/28/00/43/552280043.db2.gz MPGYIFQKVAXSRV-HNNXBMFYSA-N 1 0 397.357 2.851 10 0 GFAERO CC[C@H](C)[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc(Br)c1)C(=O)OC ZINC000182574149 552287656 /nfs/dbraw/zinc/28/76/56/552287656.db2.gz YSKOHPAOOQPXAR-MKBNYLNASA-N 1 0 385.302 2.804 10 0 GFAERO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)s1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000182964537 552297257 /nfs/dbraw/zinc/29/72/57/552297257.db2.gz KWYRYCXDUOXGIC-STQMWFEESA-N 1 0 379.917 2.579 10 0 GFAERO Cc1nc(C(F)(F)F)c(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000183637587 552315158 /nfs/dbraw/zinc/31/51/58/552315158.db2.gz CIXNCIBWBAVIIB-MRVPVSSYSA-N 1 0 379.429 2.969 10 0 GFAERO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H](C)c1ccccc1Br ZINC000185460055 552363981 /nfs/dbraw/zinc/36/39/81/552363981.db2.gz HZQHUCAVQJQGDR-HUUCEWRRSA-N 1 0 397.361 2.835 10 0 GFAERO Brc1ccc([C@H]([NH2+][C@H]2CCc3ncnn3C2)c2cncnc2)cc1 ZINC000186267185 552383551 /nfs/dbraw/zinc/38/35/51/552383551.db2.gz JAYZVRCDAOLTGA-RDJZCZTQSA-N 1 0 385.269 2.525 10 0 GFAERO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000186604036 552391891 /nfs/dbraw/zinc/39/18/91/552391891.db2.gz XCUWLHFPANIUMU-LBPRGKRZSA-N 1 0 384.933 2.754 10 0 GFAERO Cn1cc([C@H]2CSCCN2C[C@H](O)COCc2ccc(Cl)cc2)cn1 ZINC000191203466 552521705 /nfs/dbraw/zinc/52/17/05/552521705.db2.gz HJECLYJBYQSUSE-ZWKOTPCHSA-N 1 0 381.929 2.741 10 0 GFAERO Cc1csc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1I ZINC000191265043 552523111 /nfs/dbraw/zinc/52/31/11/552523111.db2.gz GUBFSGRCQIHGPS-JTQLQIEISA-N 1 0 376.263 2.581 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2c(F)cc(F)cc2Br)CCO1 ZINC000192294427 552558493 /nfs/dbraw/zinc/55/84/93/552558493.db2.gz HDFMLFPJVYRCPW-JTQLQIEISA-N 1 0 378.217 2.522 10 0 GFAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ncccc2Br)C1 ZINC000194047553 553010620 /nfs/dbraw/zinc/01/06/20/553010620.db2.gz YADVVGYHHUQNJI-HNNXBMFYSA-N 1 0 389.297 2.833 10 0 GFAERO [NH3+]C[C@H]1CCCN1C(=O)CCCCc1ccc(I)cc1 ZINC000238030060 553085313 /nfs/dbraw/zinc/08/53/13/553085313.db2.gz JOVLXZVXHIFBQS-OAHLLOKOSA-N 1 0 386.277 2.954 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)C[C@H]1C ZINC000245726235 553096398 /nfs/dbraw/zinc/09/63/98/553096398.db2.gz IUINWRDBKVGEMD-KGLIPLIRSA-N 1 0 393.329 2.726 10 0 GFAERO Cc1ccc(I)cc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246066026 553101687 /nfs/dbraw/zinc/10/16/87/553101687.db2.gz RQEWVLQNOAKNOL-OCCSQVGLSA-N 1 0 384.261 2.908 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1sccc1Br ZINC000246100531 553102426 /nfs/dbraw/zinc/10/24/26/553102426.db2.gz HKKDNBIXVMATKC-QWRGUYRKSA-N 1 0 379.345 2.758 10 0 GFAERO Cn1ncc2c1CCC[C@@H]2[N@H+](C)C[C@@H](O)COc1cccc(Br)c1 ZINC000246353209 553106308 /nfs/dbraw/zinc/10/63/08/553106308.db2.gz WJUIFXWJEHFKEH-PBHICJAKSA-N 1 0 394.313 2.932 10 0 GFAERO CCOCCN1CC[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000246860380 553114230 /nfs/dbraw/zinc/11/42/30/553114230.db2.gz ILUQHNYWWIMMSW-OAHLLOKOSA-N 1 0 398.345 2.820 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(C(=O)CCCc2ccccc2Br)C[C@@H]1C ZINC000246869952 553114422 /nfs/dbraw/zinc/11/44/22/553114422.db2.gz CNDCHIVEBLTYPP-GJZGRUSLSA-N 1 0 383.330 2.685 10 0 GFAERO CC[C@@H]1CN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000247573424 553124167 /nfs/dbraw/zinc/12/41/67/553124167.db2.gz HKYCLVWDSOSFRB-NUEKZKHPSA-N 1 0 391.339 2.510 10 0 GFAERO CC[C@@H]1CN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC[N@@H+]1CCOC ZINC000247810412 553125660 /nfs/dbraw/zinc/12/56/60/553125660.db2.gz USKOCIHUNPTCSU-HZPDHXFCSA-N 1 0 391.339 2.776 10 0 GFAERO CC[C@@H]1CN(C(=O)N[C@H](C)c2ccccc2Br)CC[N@@H+]1C[C@H](C)O ZINC000248447803 553129797 /nfs/dbraw/zinc/12/97/97/553129797.db2.gz GYUZSGRJTIAHLZ-RRFJBIMHSA-N 1 0 398.345 2.997 10 0 GFAERO CCN1CC[C@@H](NC(=O)NCC(F)(F)CO)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248721386 553134044 /nfs/dbraw/zinc/13/40/44/553134044.db2.gz LZTBMPMYDYNHJV-ZIAGYGMSSA-N 1 0 379.810 2.541 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000249219562 553140825 /nfs/dbraw/zinc/14/08/25/553140825.db2.gz UGHXYWHGBIZNNS-OLZOCXBDSA-N 1 0 398.276 2.612 10 0 GFAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ncc(Br)cc3Br)C[C@@H]12 ZINC000261584408 553153691 /nfs/dbraw/zinc/15/36/91/553153691.db2.gz SEKRSYHQDNSJCT-HLUHBDAQSA-N 1 0 375.108 2.776 10 0 GFAERO CCOC(=O)c1sc2ccsc2c1CNC(=O)C1(C[NH3+])CCOCC1 ZINC000261841498 553160634 /nfs/dbraw/zinc/16/06/34/553160634.db2.gz AKQINXRRXYSXDI-UHFFFAOYSA-N 1 0 382.507 2.511 10 0 GFAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000262075323 553165296 /nfs/dbraw/zinc/16/52/96/553165296.db2.gz BYSJRFJHERDFFS-CRAIPNDOSA-N 1 0 376.909 2.942 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(F)c2I)C1 ZINC000533544122 564965848 /nfs/dbraw/zinc/96/58/48/564965848.db2.gz ZPGLQRGKJYAAQF-SNVBAGLBSA-N 1 0 376.213 2.644 10 0 GFAERO CN1C[C@H](C[NH2+]Cc2cc(Br)cc(Br)c2)CC1=O ZINC000657696590 565120664 /nfs/dbraw/zinc/12/06/64/565120664.db2.gz VWWXETFNODWJLQ-JTQLQIEISA-N 1 0 376.092 2.780 10 0 GFAERO CC[NH+]1CCN(CCCNc2ncnc3onc(-c4ccc(F)cc4)c32)CC1 ZINC000020574448 570268845 /nfs/dbraw/zinc/26/88/45/570268845.db2.gz YSEAHUWBBVEICX-UHFFFAOYSA-N 1 0 384.459 2.863 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000122200736 654731455 /nfs/dbraw/zinc/73/14/55/654731455.db2.gz LCRHNJGPQMRTLA-NSHDSACASA-N 1 0 377.794 2.898 10 0 GFAERO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000091323996 655008921 /nfs/dbraw/zinc/00/89/21/655008921.db2.gz KRJJKYXSFZEFTB-LDYMZIIASA-N 1 0 397.722 2.517 10 0 GFAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc(I)cc1 ZINC000096658518 655031927 /nfs/dbraw/zinc/03/19/27/655031927.db2.gz POGPQPYSNACPLU-IUODEOHRSA-N 1 0 384.261 2.990 10 0 GFAERO CCOCC[N@@H+]1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000106110540 655103169 /nfs/dbraw/zinc/10/31/69/655103169.db2.gz YWIHQRLZJNPTJJ-HOCLYGCPSA-N 1 0 391.339 2.776 10 0 GFAERO Brc1cc2c(cc1C[N@@H+]1CCC[C@H](Cn3cncn3)C1)OCCO2 ZINC000106175848 655104311 /nfs/dbraw/zinc/10/43/11/655104311.db2.gz XRAOHHQSCGMQJR-ZDUSSCGKSA-N 1 0 393.285 2.724 10 0 GFAERO O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106174077 655104423 /nfs/dbraw/zinc/10/44/23/655104423.db2.gz OMPKHVVIKPECDP-UONOGXRCSA-N 1 0 385.295 2.737 10 0 GFAERO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000107246944 655119196 /nfs/dbraw/zinc/11/91/96/655119196.db2.gz OEFLLRXNUZSHFG-HUUCEWRRSA-N 1 0 384.567 2.513 10 0 GFAERO C[NH+](C)C[C@H](NC(=O)c1cc(I)c[nH]1)c1ccccc1 ZINC000115322455 655234879 /nfs/dbraw/zinc/23/48/79/655234879.db2.gz UOEFHPWMGGOTAW-AWEZNQCLSA-N 1 0 383.233 2.652 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000176486474 655247355 /nfs/dbraw/zinc/24/73/55/655247355.db2.gz OMDGQHSCYMMGGP-NSHDSACASA-N 1 0 380.286 2.751 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000176510508 655248567 /nfs/dbraw/zinc/24/85/67/655248567.db2.gz MKUWSSWZUXJWRP-VXGBXAGGSA-N 1 0 390.281 2.599 10 0 GFAERO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117261643 655262591 /nfs/dbraw/zinc/26/25/91/655262591.db2.gz VJSKXVOZYJLUGH-WBVHZDCISA-N 1 0 383.330 2.807 10 0 GFAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000177718202 655287067 /nfs/dbraw/zinc/28/70/67/655287067.db2.gz IFILSWKWUOKHSH-MRXNPFEDSA-N 1 0 390.281 2.703 10 0 GFAERO C[C@@H]([NH3+])CCNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000178684866 655308446 /nfs/dbraw/zinc/30/84/46/655308446.db2.gz KBZHPZJPFQBXBP-SNVBAGLBSA-N 1 0 378.826 2.824 10 0 GFAERO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)/C=C/c2cccc(Cl)c2)CC1 ZINC000184162185 655355466 /nfs/dbraw/zinc/35/54/66/655355466.db2.gz GPWKVNOYRDFYOH-KUCQQTCKSA-N 1 0 386.945 2.665 10 0 GFAERO COC(=O)C[C@@H](NC(=O)c1coc(C[NH3+])c1)c1cccc(Br)c1 ZINC000187512832 655374928 /nfs/dbraw/zinc/37/49/28/655374928.db2.gz RSUAMDQQYOXWIL-CQSZACIVSA-N 1 0 381.226 2.535 10 0 GFAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000236965613 655425331 /nfs/dbraw/zinc/42/53/31/655425331.db2.gz DAMHLVLKUZAPBT-CZUORRHYSA-N 1 0 383.330 2.987 10 0 GFAERO COc1cc(Br)c(S(=O)(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1Cl ZINC000237201270 655425792 /nfs/dbraw/zinc/42/57/92/655425792.db2.gz QOMUQPNYGNRWPP-KWQFWETISA-N 1 0 397.722 2.517 10 0 GFAERO CCn1c(=S)n(CN2CC[N@H+](CCOC)[C@@H](C)C2)nc1-c1cccs1 ZINC000246989731 655430900 /nfs/dbraw/zinc/43/09/00/655430900.db2.gz GCTVDGVJPOJATM-AWEZNQCLSA-N 1 0 381.571 2.772 10 0 GFAERO [NH3+][C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F)C1CCOCC1 ZINC000261843625 655442673 /nfs/dbraw/zinc/44/26/73/655442673.db2.gz QSWUSCMVTSATTO-GFCCVEGCSA-N 1 0 383.222 2.965 10 0 GFAERO C[C@H]([NH3+])CC(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000261901028 655442792 /nfs/dbraw/zinc/44/27/92/655442792.db2.gz VBIVTFFZHCVVRS-JTQLQIEISA-N 1 0 394.235 2.854 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)/C=C\c2ccc(I)o2)C1 ZINC000263635690 655452725 /nfs/dbraw/zinc/45/27/25/655452725.db2.gz AXSBJLAGNKEWJP-QGSKFPASSA-N 1 0 388.249 2.742 10 0 GFAERO O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CCCC[N@@H+]1CCCn1cccn1 ZINC000012004570 204366920 /nfs/dbraw/zinc/36/69/20/204366920.db2.gz RNGKXSPFNXQZPA-FQEVSTJZSA-N 1 0 378.480 2.952 10 0 GFAERO O=C1N(Cc2cccnc2)C[C@@H]2C[C@@H](c3ccc4c(c3)OCCO4)[N@@H+]3CCC[C@@]123 ZINC000012317963 204396394 /nfs/dbraw/zinc/39/63/94/204396394.db2.gz PDZLBARZXUNNLR-YDHSSHFGSA-N 1 0 391.471 2.791 10 0 GFAERO COc1ccccc1CC[NH2+][C@@H]1CCc2c(c(C(=O)N(C)C)nn2CC(C)C)C1 ZINC000014751111 204541901 /nfs/dbraw/zinc/54/19/01/204541901.db2.gz RXZNHCWRGBQLTK-GOSISDBHSA-N 1 0 398.551 2.939 10 0 GFAERO O=C(CCN(C(=O)c1ccc(F)c(F)c1)C1CCCCCC1)N1CC[NH2+]CC1 ZINC000065314924 205229265 /nfs/dbraw/zinc/22/92/65/205229265.db2.gz HEWZZCVEYMHKAS-UHFFFAOYSA-N 1 0 393.478 2.952 10 0 GFAERO NC(=O)c1cc2c(s1)CCN(C(=O)c1ccc(C[C@H]3CCC[NH2+]C3)cc1)C2 ZINC000072165819 205316195 /nfs/dbraw/zinc/31/61/95/205316195.db2.gz WWERFYMZSCHMJO-OAHLLOKOSA-N 1 0 383.517 2.588 10 0 GFAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1 ZINC000095080371 205437460 /nfs/dbraw/zinc/43/74/60/205437460.db2.gz RVEJWGYZBXCGGM-BEFAXECRSA-N 1 0 393.491 2.707 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000113271247 551207738 /nfs/dbraw/zinc/20/77/38/551207738.db2.gz VNQXRLYHGGDBRW-GXTWGEPZSA-N 1 0 377.337 2.936 10 0 GFAERO C[C@@H]([NH2+][C@@H](C)c1cccc(Br)c1)C(=O)NC(=O)NCC(F)(F)F ZINC000130924328 551370358 /nfs/dbraw/zinc/37/03/58/551370358.db2.gz BEARYHANZGYWGW-DTWKUNHWSA-N 1 0 396.207 2.876 10 0 GFAERO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000150796082 551401747 /nfs/dbraw/zinc/40/17/47/551401747.db2.gz PQENXKCWGIZYIR-SWLSCSKDSA-N 1 0 382.302 2.541 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(F)c(I)c1 ZINC000154812568 551483125 /nfs/dbraw/zinc/48/31/25/551483125.db2.gz KPOGUQBJKIBHOD-CMPLNLGQSA-N 1 0 388.224 2.739 10 0 GFAERO C[C@H]([NH2+]CCS(=O)(=O)N1CCSCC1)[C@H](C)c1nc2ccccc2s1 ZINC000155776610 551507785 /nfs/dbraw/zinc/50/77/85/551507785.db2.gz UCZNUESYVRAPES-KBPBESRZSA-N 1 0 399.607 2.757 10 0 GFAERO O[C@@H](CNCC1=Cc2cc(Br)ccc2OC1)C[NH+]1CCCCC1 ZINC000171050933 551645252 /nfs/dbraw/zinc/64/52/52/551645252.db2.gz RRRWKOOEVAUAIF-KRWDZBQOSA-N 1 0 381.314 2.661 10 0 GFAERO Cc1cc(I)ccc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171885796 551666215 /nfs/dbraw/zinc/66/62/15/551666215.db2.gz ZNPLZLUPBSAFRR-CYBMUJFWSA-N 1 0 385.249 2.912 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000172349347 551677166 /nfs/dbraw/zinc/67/71/66/551677166.db2.gz ZTONEFBZZUOGTA-GFCCVEGCSA-N 1 0 378.270 2.505 10 0 GFAERO C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1c(Cl)ccc(F)c1Cl ZINC000174148241 552100581 /nfs/dbraw/zinc/10/05/81/552100581.db2.gz MCMBVMDOXYDDGR-GHMZBOCLSA-N 1 0 390.286 2.720 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000174536804 552106327 /nfs/dbraw/zinc/10/63/27/552106327.db2.gz BOFNPLUAQZUSNL-GFCCVEGCSA-N 1 0 391.331 2.563 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(S(=O)(=O)CC)ccc1Cl ZINC000175022224 552114107 /nfs/dbraw/zinc/11/41/07/552114107.db2.gz CIMPAWKOKLCMCQ-UONOGXRCSA-N 1 0 384.929 2.832 10 0 GFAERO C[C@@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)c1cccc(Br)c1 ZINC000175596244 552125829 /nfs/dbraw/zinc/12/58/29/552125829.db2.gz HOJWMKYDORTIFH-CQSZACIVSA-N 1 0 397.361 2.835 10 0 GFAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC000176864126 552147724 /nfs/dbraw/zinc/14/77/24/552147724.db2.gz LPHYLUIMRXMGRE-CYBMUJFWSA-N 1 0 389.323 2.923 10 0 GFAERO COc1cc(Br)ccc1CCC[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000181850966 552269232 /nfs/dbraw/zinc/26/92/32/552269232.db2.gz AKGKPEXKOMHGLN-KRWDZBQOSA-N 1 0 394.313 2.988 10 0 GFAERO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000184310062 552332192 /nfs/dbraw/zinc/33/21/92/552332192.db2.gz BPFSUDFJASJJCN-ZIAGYGMSSA-N 1 0 388.339 2.903 10 0 GFAERO COCC[C@](C)(O)C[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186196291 552381742 /nfs/dbraw/zinc/38/17/42/552381742.db2.gz QONVLGNEEOQTHZ-IRXDYDNUSA-N 1 0 380.286 2.706 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(Br)c(C)cc1C ZINC000188115145 552435488 /nfs/dbraw/zinc/43/54/88/552435488.db2.gz LAUMFHHQBHOGGJ-AWEZNQCLSA-N 1 0 396.329 2.947 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000190334986 552492812 /nfs/dbraw/zinc/49/28/12/552492812.db2.gz WMEMQFYCKLHPIQ-QWHCGFSZSA-N 1 0 398.276 2.612 10 0 GFAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cccc(Br)n2)C1 ZINC000190634996 552504434 /nfs/dbraw/zinc/50/44/34/552504434.db2.gz YSNNJJLTAFSWNF-HNNXBMFYSA-N 1 0 389.297 2.833 10 0 GFAERO O=C(c1nc(Br)ccc1Br)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000191351967 552525709 /nfs/dbraw/zinc/52/57/09/552525709.db2.gz BCGDJJISMKRVFO-VIFPVBQESA-N 1 0 389.091 2.527 10 0 GFAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2cccc(Br)c2F)CC1 ZINC000192146543 552553332 /nfs/dbraw/zinc/55/33/32/552553332.db2.gz FNVYGAPFUQTIEW-GFCCVEGCSA-N 1 0 387.293 2.753 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccccc1I ZINC000246168650 553104042 /nfs/dbraw/zinc/10/40/42/553104042.db2.gz DPFSOIQYZYEAES-JSGCOSHPSA-N 1 0 384.261 2.529 10 0 GFAERO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246580072 553109822 /nfs/dbraw/zinc/10/98/22/553109822.db2.gz YCVVYEWPWIRYQG-IUODEOHRSA-N 1 0 382.302 2.541 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N(C)Cc1ccccc1Br ZINC000247086203 553118848 /nfs/dbraw/zinc/11/88/48/553118848.db2.gz IAQYIXLQULVJCR-HOCLYGCPSA-N 1 0 380.330 2.576 10 0 GFAERO CC[NH+](CC)C[C@@H]1CCN(C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000247479452 553122523 /nfs/dbraw/zinc/12/25/23/553122523.db2.gz JYLOYQXRSHAPSG-DOTOQJQBSA-N 1 0 385.346 2.853 10 0 GFAERO CC[C@H]1CN([C@H](C)C(=O)Nc2ccc(Br)cc2)CC[N@@H+]1CCOC ZINC000247874729 553125772 /nfs/dbraw/zinc/12/57/72/553125772.db2.gz YIUDFKOSJFALMH-PBHICJAKSA-N 1 0 398.345 2.819 10 0 GFAERO COc1cc(Br)ccc1CCCN1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248457983 553129838 /nfs/dbraw/zinc/12/98/38/553129838.db2.gz MPLSSFOAJPFHOI-GJZGRUSLSA-N 1 0 385.346 2.777 10 0 GFAERO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000248915446 553137333 /nfs/dbraw/zinc/13/73/33/553137333.db2.gz ZPOMKPUVYANLBR-QWRGUYRKSA-N 1 0 386.279 2.636 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000249219564 553140952 /nfs/dbraw/zinc/14/09/52/553140952.db2.gz UGHXYWHGBIZNNS-STQMWFEESA-N 1 0 398.276 2.612 10 0 GFAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)COc1ccc(F)cc1Br ZINC000261741205 553157965 /nfs/dbraw/zinc/15/79/65/553157965.db2.gz ZPRRZVYULTYQRF-RPBQFNSTSA-N 1 0 385.277 2.989 10 0 GFAERO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc(Br)c1OC ZINC000262019135 553164887 /nfs/dbraw/zinc/16/48/87/553164887.db2.gz WJQKVCYFWXJAAG-IMJJTQAJSA-N 1 0 399.329 2.713 10 0 GFAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000262075327 553165411 /nfs/dbraw/zinc/16/54/11/553165411.db2.gz BYSJRFJHERDFFS-MAUKXSAKSA-N 1 0 376.909 2.942 10 0 GFAERO CCN1CCO[C@@H](C[NH2+]Cc2cc(Cl)ccc2I)C1 ZINC000405792297 563539816 /nfs/dbraw/zinc/53/98/16/563539816.db2.gz PDLIDRDRACZBAO-ZDUSSCGKSA-N 1 0 394.684 2.755 10 0 GFAERO CN1C[C@@H](C[NH2+]Cc2ccc(Br)c(Br)c2)CC1=O ZINC000657698682 565120958 /nfs/dbraw/zinc/12/09/58/565120958.db2.gz ZWPPYWIEYMPLTG-SNVBAGLBSA-N 1 0 376.092 2.780 10 0 GFAERO [NH3+]C[C@H](NC(=O)c1scc(Br)c1Br)C(F)(F)F ZINC000638398175 565195357 /nfs/dbraw/zinc/19/53/57/565195357.db2.gz PYJATQOJZHFMHQ-BYPYZUCNSA-N 1 0 396.026 2.893 10 0 GFAERO C[C@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@H]1C[NH3+] ZINC000638897557 565216912 /nfs/dbraw/zinc/21/69/12/565216912.db2.gz BEWXZXLFEIDLRZ-DTWKUNHWSA-N 1 0 376.092 2.878 10 0 GFAERO Cc1cc2ccccc2n1CCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000023339015 570321714 /nfs/dbraw/zinc/32/17/14/570321714.db2.gz USQDVLLLBCYSDE-HXUWFJFHSA-N 1 0 382.552 2.872 10 0 GFAERO COc1cc(CNC(=O)c2nc(C)n(C3CC[NH+](C)CC3)c2C)cc(OC)c1 ZINC000065257251 570755909 /nfs/dbraw/zinc/75/59/09/570755909.db2.gz CCDUIWVVJKCTPW-UHFFFAOYSA-N 1 0 386.496 2.714 10 0 GFAERO COCC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC000095505154 571078126 /nfs/dbraw/zinc/07/81/26/571078126.db2.gz BWPDPLSEPTXBDN-UHFFFAOYSA-N 1 0 388.899 2.586 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000122618975 654740688 /nfs/dbraw/zinc/74/06/88/654740688.db2.gz GEQRSYLEHLTNEC-VIFPVBQESA-N 1 0 392.244 2.512 10 0 GFAERO CC[C@@H](O)C[NH+]1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000123474947 654757009 /nfs/dbraw/zinc/75/70/09/654757009.db2.gz LXCISWVQIVNOQV-MRXNPFEDSA-N 1 0 393.329 2.728 10 0 GFAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(Cl)cc(Br)c1 ZINC000125130991 654788688 /nfs/dbraw/zinc/78/86/88/654788688.db2.gz GMCBDZLSXWUKAG-AWEZNQCLSA-N 1 0 375.694 2.679 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1ccc(=O)c2cccc(Br)c21 ZINC000153218590 655065580 /nfs/dbraw/zinc/06/55/80/655065580.db2.gz BOTNMHISWRRLAK-UONOGXRCSA-N 1 0 376.298 2.890 10 0 GFAERO CC[C@@H]1CN(C[C@H](O)COc2c(Cl)cccc2Cl)CC[N@@H+]1CCOC ZINC000106114794 655103552 /nfs/dbraw/zinc/10/35/52/655103552.db2.gz SGXHCLZBFRPOGV-CABCVRRESA-N 1 0 391.339 2.776 10 0 GFAERO CC[C@H](O)C[NH+]1CCN(Cc2ncc(-c3cccc(Br)c3)o2)CC1 ZINC000174081839 655192097 /nfs/dbraw/zinc/19/20/97/655192097.db2.gz GNQKJGSXJBKXPI-INIZCTEOSA-N 1 0 394.313 2.993 10 0 GFAERO CC[C@@H]1CN(C(=O)CCc2cccc(Br)c2)CC[N@@H+]1C[C@@H](C)O ZINC000174604995 655204974 /nfs/dbraw/zinc/20/49/74/655204974.db2.gz ZATOLMFBABBLRF-RHSMWYFYSA-N 1 0 383.330 2.685 10 0 GFAERO Cc1cccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1I ZINC000113227425 655205691 /nfs/dbraw/zinc/20/56/91/655205691.db2.gz RMOPHCQMFAAGFZ-STQMWFEESA-N 1 0 384.261 2.908 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1I ZINC000175042303 655213099 /nfs/dbraw/zinc/21/30/99/655213099.db2.gz UAKAVNBKVAHLHK-CHWSQXEVSA-N 1 0 384.261 2.990 10 0 GFAERO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CCO1 ZINC000116900604 655256220 /nfs/dbraw/zinc/25/62/20/655256220.db2.gz QDFFECRWUBBSQR-JTQLQIEISA-N 1 0 387.716 2.598 10 0 GFAERO Cn1cc(Br)cc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1=O ZINC000177983466 655293412 /nfs/dbraw/zinc/29/34/12/655293412.db2.gz RYFSCRWCZPYYHI-OAHLLOKOSA-N 1 0 393.285 2.572 10 0 GFAERO Cn1cc(Br)cc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1=O ZINC000177983455 655293545 /nfs/dbraw/zinc/29/35/45/655293545.db2.gz RYFSCRWCZPYYHI-HNNXBMFYSA-N 1 0 393.285 2.572 10 0 GFAERO COCC[N@@H+]1CCN(CC2=Cc3cc(Br)ccc3OC2)C[C@@H]1C ZINC000120835202 655345051 /nfs/dbraw/zinc/34/50/51/655345051.db2.gz NIVUZIMFEGPCLN-AWEZNQCLSA-N 1 0 381.314 2.877 10 0 GFAERO CC[C@@H]1CN(C(=O)c2cccnc2SC(F)(F)F)CCN1C[C@H](C)O ZINC000246756236 655430546 /nfs/dbraw/zinc/43/05/46/655430546.db2.gz HIADDKRJENCUPX-NWDGAFQWSA-N 1 0 377.432 2.611 10 0 GFAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000261733866 655442030 /nfs/dbraw/zinc/44/20/30/655442030.db2.gz LWCVPUHHEOBULZ-LURJTMIESA-N 1 0 376.103 2.642 10 0 GFAERO CC[C@H](O)C[NH+]1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000118858528 677395666 /nfs/dbraw/zinc/39/56/66/677395666.db2.gz VFALMGBWCZDCMB-LBPRGKRZSA-N 1 0 394.730 2.974 10 0 GFAERO Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@@H]([NH+](C)C)C3)c2c1C ZINC000057838591 721896076 /nfs/dbraw/zinc/89/60/76/721896076.db2.gz CKRFZIDDELYYNX-MRXNPFEDSA-N 1 0 389.569 2.671 10 0 GFAERO Cc1n(C)cc[n+]1Cc1ccc(C(=O)Oc2cccc(N3CCOCC3)c2)cc1 ZINC000002380473 203940374 /nfs/dbraw/zinc/94/03/74/203940374.db2.gz JUTSEOPYECORBY-UHFFFAOYSA-N 1 0 392.479 2.725 10 0 GFAERO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000004711010 204068369 /nfs/dbraw/zinc/06/83/69/204068369.db2.gz NFHUXVZCBSBRLW-RTWAWAEBSA-N 1 0 385.552 2.848 10 0 GFAERO Cc1ccc(C[N@H+](CCN2CCOCC2)C[C@@H](O)COc2ccccc2)s1 ZINC000036031199 205002756 /nfs/dbraw/zinc/00/27/56/205002756.db2.gz DUSUFZVLJQVPQW-LJQANCHMSA-N 1 0 390.549 2.631 10 0 GFAERO CN(CCC[NH+](C)C)Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[nH]2)cc1 ZINC000048175396 205115287 /nfs/dbraw/zinc/11/52/87/205115287.db2.gz CVFGIABJKYGAHE-UHFFFAOYSA-N 1 0 377.492 2.882 10 0 GFAERO COc1cc(CNCc2nc(C)cs2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000055060735 205142292 /nfs/dbraw/zinc/14/22/92/205142292.db2.gz JECLEZKSANJCRE-KRWDZBQOSA-N 1 0 391.537 2.585 10 0 GFAERO CC(C)CC(=O)N[C@@H](C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)C(C)C ZINC000057055134 205153956 /nfs/dbraw/zinc/15/39/56/205153956.db2.gz LYYHXNHNLGGAFZ-OAQYLSRUSA-N 1 0 388.556 2.559 10 0 GFAERO O=C(NCC[NH+]1CCCC1)[C@@H]1CN(C(=O)c2cccs2)CC12CCCCC2 ZINC000065266290 205224866 /nfs/dbraw/zinc/22/48/66/205224866.db2.gz QKSYSLDQLBWGOQ-KRWDZBQOSA-N 1 0 389.565 2.983 10 0 GFAERO CCOC(=O)C1CCN(c2nc3c(C)cccc3cc2C[NH2+]C[C@H](C)O)CC1 ZINC000299760130 206187256 /nfs/dbraw/zinc/18/72/56/206187256.db2.gz HKCVFLSQUMOJEG-INIZCTEOSA-N 1 0 385.508 2.793 10 0 GFAERO CCCCOc1ccc(C(=O)N2CCN(c3cc(N(C)C)cn[nH+]3)CC2)cc1 ZINC000224309084 136206771 /nfs/dbraw/zinc/20/67/71/136206771.db2.gz HNKSAAOIVXSKCC-UHFFFAOYSA-N 1 0 383.496 2.684 10 0 GFAERO CC(C)(C)OC(=O)N1CC[NH2+][C@@H]2CCN(C(=O)OCc3ccccc3)CC[C@@H]21 ZINC000309946297 526409735 /nfs/dbraw/zinc/40/97/35/526409735.db2.gz KNPRWOAPSCCIED-MSOLQXFVSA-N 1 0 389.496 2.997 10 0 GFAERO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000129435452 551357588 /nfs/dbraw/zinc/35/75/88/551357588.db2.gz UBNRLVQRUMGGSJ-OAHLLOKOSA-N 1 0 396.329 2.933 10 0 GFAERO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c1cccc(Br)c1 ZINC000130924142 551370478 /nfs/dbraw/zinc/37/04/78/551370478.db2.gz BEARYHANZGYWGW-BDAKNGLRSA-N 1 0 396.207 2.876 10 0 GFAERO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)ccc1Cl ZINC000150702240 551400214 /nfs/dbraw/zinc/40/02/14/551400214.db2.gz MLWBEECAZLBUQR-STQMWFEESA-N 1 0 387.933 2.827 10 0 GFAERO Cc1c(Br)cccc1NC(=O)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000150798727 551401601 /nfs/dbraw/zinc/40/16/01/551401601.db2.gz ADZCIWQJERSXOW-NHYWBVRUSA-N 1 0 382.302 2.541 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)c2cc(Br)cc(C(F)(F)F)c2)CCO1 ZINC000152218510 551428479 /nfs/dbraw/zinc/42/84/79/551428479.db2.gz HOYLGAXDJJYBEM-ZDUSSCGKSA-N 1 0 395.219 2.871 10 0 GFAERO CCOCC[N@@H+]1CCN(C[C@H](O)c2ccccc2Br)C[C@H]1CC ZINC000152943043 551443360 /nfs/dbraw/zinc/44/33/60/551443360.db2.gz BOQPHLJLXSQVQH-QAPCUYQASA-N 1 0 385.346 2.915 10 0 GFAERO C[NH+](C)C[C@H]1CN(Cc2ccnc(-c3ccc(Br)cc3)n2)CCO1 ZINC000154119087 551467868 /nfs/dbraw/zinc/46/78/68/551467868.db2.gz VHMCVYVCTUHWHK-KRWDZBQOSA-N 1 0 391.313 2.669 10 0 GFAERO Cc1cccc(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1Br ZINC000156445262 551523121 /nfs/dbraw/zinc/52/31/21/551523121.db2.gz RZZZCJUTXQPDEI-STQMWFEESA-N 1 0 375.332 2.765 10 0 GFAERO O=C(CC[N@@H+]1CCC[C@H](n2cncn2)C1)Nc1ccccc1Br ZINC000171526485 551657403 /nfs/dbraw/zinc/65/74/03/551657403.db2.gz PNJVBUXZMOQMQG-ZDUSSCGKSA-N 1 0 378.274 2.706 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000174536817 552106331 /nfs/dbraw/zinc/10/63/31/552106331.db2.gz BOFNPLUAQZUSNL-LBPRGKRZSA-N 1 0 391.331 2.563 10 0 GFAERO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000176696143 552144338 /nfs/dbraw/zinc/14/43/38/552144338.db2.gz YEQZPSVXTWCCLY-DZGCQCFKSA-N 1 0 383.897 2.834 10 0 GFAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CCc2ccc(Br)cc2)CC1 ZINC000178320037 552169258 /nfs/dbraw/zinc/16/92/58/552169258.db2.gz CADYIYLTVDXBHS-HNNXBMFYSA-N 1 0 397.357 2.933 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2ccc(Cl)c(Br)c2)CCO1 ZINC000181230906 552250768 /nfs/dbraw/zinc/25/07/68/552250768.db2.gz JDSRVIFCPVKUQB-NSHDSACASA-N 1 0 376.682 2.897 10 0 GFAERO CC[C@H]1CN(Cc2nc3cc(Br)ccc3[nH]2)CC[N@@H+]1CCOC ZINC000184967456 552349717 /nfs/dbraw/zinc/34/97/17/552349717.db2.gz CATNGWFDUXQLOR-AWEZNQCLSA-N 1 0 381.318 2.868 10 0 GFAERO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)c1cc(F)ccc1Br ZINC000188221905 552439755 /nfs/dbraw/zinc/43/97/55/552439755.db2.gz HMBWVVCSTXPUDY-LBPRGKRZSA-N 1 0 381.311 2.843 10 0 GFAERO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccs2)cc1S(=O)(=O)N(C)C ZINC000192870614 552977018 /nfs/dbraw/zinc/97/70/18/552977018.db2.gz ARUPZYONKPUBIW-ZDUSSCGKSA-N 1 0 381.523 2.596 10 0 GFAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000192932226 552978460 /nfs/dbraw/zinc/97/84/60/552978460.db2.gz RHHWJNWIKBULNJ-KRWDZBQOSA-N 1 0 379.551 2.735 10 0 GFAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(I)c(O)c1 ZINC000230890639 553065772 /nfs/dbraw/zinc/06/57/72/553065772.db2.gz RALPDRYSCOKAOQ-LBPRGKRZSA-N 1 0 390.265 2.703 10 0 GFAERO CC[C@@H]1CN(C(=O)[C@@H](C)c2ccc(Br)cc2)CC[N@@H+]1C[C@H](C)O ZINC000245952293 553099699 /nfs/dbraw/zinc/09/96/99/553099699.db2.gz SREOWWVEYKOUQS-GRDNDAEWSA-N 1 0 383.330 2.856 10 0 GFAERO O=C([C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246023115 553101172 /nfs/dbraw/zinc/10/11/72/553101172.db2.gz LYEPKDBGMWNLEZ-UONOGXRCSA-N 1 0 382.291 2.653 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1sccc1Br ZINC000246100519 553102261 /nfs/dbraw/zinc/10/22/61/553102261.db2.gz HKKDNBIXVMATKC-MNOVXSKESA-N 1 0 379.345 2.758 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(C(=O)CCCc2ccc(Br)s2)C[C@@H]1C ZINC000246810232 553113709 /nfs/dbraw/zinc/11/37/09/553113709.db2.gz RWIQXJUKJJMCLZ-STQMWFEESA-N 1 0 389.359 2.747 10 0 GFAERO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1)c1ccc(Br)cc1 ZINC000247572362 553124073 /nfs/dbraw/zinc/12/40/73/553124073.db2.gz WVYDJPIFYRLPGZ-UKRRQHHQSA-N 1 0 391.313 2.849 10 0 GFAERO CCOCCN1CCN([C@@H](C)C(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000247568909 553124103 /nfs/dbraw/zinc/12/41/03/553124103.db2.gz GYFBOGIWJCYXJW-CABCVRRESA-N 1 0 398.345 2.819 10 0 GFAERO Cc1ccc([C@H](CNC(=O)N2CCS[C@@H](C)[C@H]2C)N2CCOCC2)s1 ZINC000248371906 553128812 /nfs/dbraw/zinc/12/88/12/553128812.db2.gz ZGSHXVHQMJTTEA-PMPSAXMXSA-N 1 0 383.583 2.965 10 0 GFAERO CCN1CCC[C@H](NS(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)C1 ZINC000248712392 553133750 /nfs/dbraw/zinc/13/37/50/553133750.db2.gz QJQQKHJYKFCCBU-HIFRSBDPSA-N 1 0 390.933 2.516 10 0 GFAERO [NH3+][C@@H](C(=O)NCC1(c2cccc(Br)c2)CCC1)C1CCOCC1 ZINC000261875513 553161587 /nfs/dbraw/zinc/16/15/87/553161587.db2.gz UBILIBAUFIFDNL-MRXNPFEDSA-N 1 0 381.314 2.741 10 0 GFAERO C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)Oc1cccc(Br)c1 ZINC000261886608 553162219 /nfs/dbraw/zinc/16/22/19/553162219.db2.gz FXXHSANVWZXIOI-BNEJOLLZSA-N 1 0 383.330 2.963 10 0 GFAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H](Sc1ccccc1Cl)c1ccccc1 ZINC000262403596 553170292 /nfs/dbraw/zinc/17/02/92/553170292.db2.gz YUPUIRQUCNMAEW-QILLFSRXSA-N 1 0 376.909 2.870 10 0 GFAERO COC[C@H]([NH3+])C(=O)N[C@H](c1ccccc1)c1ccc(OC)c(Br)c1 ZINC000262564382 553172612 /nfs/dbraw/zinc/17/26/12/553172612.db2.gz RIPGHJBFJQEHNY-DOTOQJQBSA-N 1 0 393.281 2.637 10 0 GFAERO CC[NH+]1CCN(c2cc(CNc3ccc(Br)cn3)ccn2)CC1 ZINC000301383423 563402232 /nfs/dbraw/zinc/40/22/32/563402232.db2.gz UCLBGZKIGIPNBK-UHFFFAOYSA-N 1 0 376.302 2.993 10 0 GFAERO O=C1CCCc2cc(S(=O)(=O)NCCC[NH+]3CCCCCC3)ccc2N1 ZINC000015731428 570223443 /nfs/dbraw/zinc/22/34/43/570223443.db2.gz ZCKKOFJUQAEWQV-UHFFFAOYSA-N 1 0 379.526 2.506 10 0 GFAERO COCCNC(=O)CC[C@H]1CN(Cc2cccc(Cl)c2)CC[C@H]1[NH+](C)C ZINC000012055611 570601925 /nfs/dbraw/zinc/60/19/25/570601925.db2.gz JFNLUFZZNGEVRH-PKOBYXMFSA-N 1 0 381.948 2.635 10 0 GFAERO Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000012453466 570724604 /nfs/dbraw/zinc/72/46/04/570724604.db2.gz CUAWMOARKYEFHW-FQEVSTJZSA-N 1 0 399.922 2.698 10 0 GFAERO O=C(C[C@H]1C(=O)NCC[N@@H+]1C1CCCC1)N1CCC(Cc2ccccc2)CC1 ZINC000012701526 570966182 /nfs/dbraw/zinc/96/61/82/570966182.db2.gz ZVOWCBNOFYPFFK-NRFANRHFSA-N 1 0 383.536 2.601 10 0 GFAERO Cc1noc([C@H]2CCC[N@H+](C[C@H](O)COc3cccc(Br)c3)C2)n1 ZINC000052863742 654740904 /nfs/dbraw/zinc/74/09/04/654740904.db2.gz QGSOADMXXNEGBA-ZFWWWQNUSA-N 1 0 396.285 2.760 10 0 GFAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(Cl)cc(Br)c1 ZINC000125131188 654788794 /nfs/dbraw/zinc/78/87/94/654788794.db2.gz GMCBDZLSXWUKAG-CQSZACIVSA-N 1 0 375.694 2.679 10 0 GFAERO C[C@@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(Br)c1 ZINC000129214896 654860758 /nfs/dbraw/zinc/86/07/58/654860758.db2.gz IYDHJFNEOAGNKU-CHWSQXEVSA-N 1 0 375.332 2.771 10 0 GFAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccccc1I ZINC000096658510 655032026 /nfs/dbraw/zinc/03/20/26/655032026.db2.gz OFAPHGQNFSHMDC-CHWSQXEVSA-N 1 0 384.261 2.990 10 0 GFAERO CC[C@@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000106101495 655102240 /nfs/dbraw/zinc/10/22/40/655102240.db2.gz CWHOOLXGSSEOGW-BMFZPTHFSA-N 1 0 391.339 2.510 10 0 GFAERO CC[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2C)CC[N@@H+]1CCOC ZINC000106116159 655103539 /nfs/dbraw/zinc/10/35/39/655103539.db2.gz LOYVMHGSIRDHCQ-MRXNPFEDSA-N 1 0 398.345 2.739 10 0 GFAERO COc1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c(Br)c1OC ZINC000106171395 655104020 /nfs/dbraw/zinc/10/40/20/655104020.db2.gz TWHBFPZVHDPQAL-ZDUSSCGKSA-N 1 0 395.301 2.970 10 0 GFAERO [NH3+][C@H]1CCCN(C(=O)c2cc(I)cc(C(F)(F)F)c2)C1 ZINC000158245770 655105796 /nfs/dbraw/zinc/10/57/96/655105796.db2.gz LFMSHAZFIFHYED-NSHDSACASA-N 1 0 398.166 2.873 10 0 GFAERO COc1cc(Cl)c(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1Cl ZINC000113305693 655208010 /nfs/dbraw/zinc/20/80/10/655208010.db2.gz CDYASUGFKSFHBC-GHMZBOCLSA-N 1 0 379.309 2.859 10 0 GFAERO C[C@H](NC(=O)NCC1([NH+](C)C)CCOCC1)c1ccccc1Br ZINC000114016874 655217340 /nfs/dbraw/zinc/21/73/40/655217340.db2.gz FQHMXNNVGPVNOB-ZDUSSCGKSA-N 1 0 384.318 2.920 10 0 GFAERO CC[C@@H]1CN(C(=O)CCc2ccc(Br)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000176499947 655248000 /nfs/dbraw/zinc/24/80/00/655248000.db2.gz YFIQECYTZSSGLW-RHSMWYFYSA-N 1 0 383.330 2.685 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(Br)cc1C ZINC000176892537 655259277 /nfs/dbraw/zinc/25/92/77/655259277.db2.gz ZDBPJCHKBXQITQ-CQSZACIVSA-N 1 0 382.302 2.639 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(I)c1 ZINC000177094405 655268237 /nfs/dbraw/zinc/26/82/37/655268237.db2.gz XAMOXQOOZBGMTR-SMDDNHRTSA-N 1 0 385.249 2.992 10 0 GFAERO C[NH+](C)C[C@H]1CN(Cc2ncc(-c3ccccc3Br)o2)CCO1 ZINC000119301220 655297772 /nfs/dbraw/zinc/29/77/72/655297772.db2.gz DJNDFTWLGDDSJN-ZDUSSCGKSA-N 1 0 380.286 2.867 10 0 GFAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000310904259 655379222 /nfs/dbraw/zinc/37/92/22/655379222.db2.gz NKXRKHIMWBGRAR-LBPRGKRZSA-N 1 0 398.941 2.848 10 0 GFAERO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)c2c(C)nn(C)c2Cl)C1 ZINC000190528821 655392710 /nfs/dbraw/zinc/39/27/10/655392710.db2.gz WZHSUUOUTQCDAX-CYBMUJFWSA-N 1 0 381.933 2.741 10 0 GFAERO CCOCC[N@@H+]1CCN(C[C@H](O)c2ccc(F)c(Br)c2)C[C@H]1C ZINC000248426293 655432324 /nfs/dbraw/zinc/43/23/24/655432324.db2.gz MQQUIGTZSBDNFN-DYVFJYSZSA-N 1 0 389.309 2.664 10 0 GFAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000262642795 655446549 /nfs/dbraw/zinc/44/65/49/655446549.db2.gz TUUODIUPNAOAET-IUIKQTSFSA-N 1 0 384.307 2.842 10 0 GFAERO C[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000723847285 655525570 /nfs/dbraw/zinc/52/55/70/655525570.db2.gz DSGYZNMXNJDNAE-LSDHHAIUSA-N 1 0 376.563 2.682 10 0 GFAERO CCC(=O)Nc1ccc(N(C)C)c(CN(CC[NH+](C)C)C(=O)c2ccco2)c1 ZINC000006723136 204195130 /nfs/dbraw/zinc/19/51/30/204195130.db2.gz MABWRBHZEOCEAM-UHFFFAOYSA-N 1 0 386.496 2.898 10 0 GFAERO Cc1ccc([C@@H](C)CC[N@H+](C)CCn2cc(C(=O)NCc3ccncc3)nn2)o1 ZINC000011913184 204361378 /nfs/dbraw/zinc/36/13/78/204361378.db2.gz DOTXEZPYRVCMAA-INIZCTEOSA-N 1 0 396.495 2.630 10 0 GFAERO Cc1nc([C@@H]2CCC[N@@H+](C3CCN(C)CC3)C2)n(-c2ccc3c(c2)OCCO3)n1 ZINC000063884571 205189578 /nfs/dbraw/zinc/18/95/78/205189578.db2.gz XBPGICLHBWNYNA-QGZVFWFLSA-N 1 0 397.523 2.621 10 0 GFAERO CC[C@@H]1CN(C(=O)[C@@H](C)c2ccc(Br)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000125268223 551321226 /nfs/dbraw/zinc/32/12/26/551321226.db2.gz SREOWWVEYKOUQS-JKIFEVAISA-N 1 0 383.330 2.856 10 0 GFAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000136979720 551390464 /nfs/dbraw/zinc/39/04/64/551390464.db2.gz COIBGGBZCMKLMI-JKSUJKDBSA-N 1 0 386.334 2.758 10 0 GFAERO C[C@@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1Br ZINC000148964143 551398298 /nfs/dbraw/zinc/39/82/98/551398298.db2.gz GWVWUJHALRBOJK-OLZOCXBDSA-N 1 0 375.332 2.771 10 0 GFAERO C[NH+](C)C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CCO1 ZINC000155252254 551495827 /nfs/dbraw/zinc/49/58/27/551495827.db2.gz ANTPKIPVXJRPLX-LBPRGKRZSA-N 1 0 379.810 2.560 10 0 GFAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(Br)ccc2Br)C1 ZINC000160544446 551582091 /nfs/dbraw/zinc/58/20/91/551582091.db2.gz NKJOQONHXPQSPC-JTQLQIEISA-N 1 0 376.092 2.988 10 0 GFAERO C[C@@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000163363168 551619176 /nfs/dbraw/zinc/61/91/76/551619176.db2.gz WJHKQDCFKOEVRF-CYBMUJFWSA-N 1 0 380.897 2.711 10 0 GFAERO O=C(NCC1(c2ccccc2Br)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000172663658 551684550 /nfs/dbraw/zinc/68/45/50/551684550.db2.gz QJBCBDFETHLRFF-AWEZNQCLSA-N 1 0 378.314 2.970 10 0 GFAERO C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1c(Cl)ccc(F)c1Cl ZINC000174148270 552100618 /nfs/dbraw/zinc/10/06/18/552100618.db2.gz MCMBVMDOXYDDGR-MNOVXSKESA-N 1 0 390.286 2.720 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000175022654 552114165 /nfs/dbraw/zinc/11/41/65/552114165.db2.gz ITDHTGADEVXSNM-QWHCGFSZSA-N 1 0 381.270 2.877 10 0 GFAERO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000178816607 552175946 /nfs/dbraw/zinc/17/59/46/552175946.db2.gz SMGRJDUGYFALJD-CQSZACIVSA-N 1 0 388.917 2.525 10 0 GFAERO COCCN1CCN(C(=O)NCc2cc(Br)ccc2C)C[C@H]1C ZINC000187576175 552419387 /nfs/dbraw/zinc/41/93/87/552419387.db2.gz LLEIDNWAFCAWAG-CQSZACIVSA-N 1 0 384.318 2.620 10 0 GFAERO CC[C@@H]1CN(C(=O)NCc2cc(Br)ccc2C)CC[N@@H+]1C[C@@H](C)O ZINC000187681116 552422261 /nfs/dbraw/zinc/42/22/61/552422261.db2.gz ARPZAOHSZJZAPQ-RHSMWYFYSA-N 1 0 398.345 2.744 10 0 GFAERO COc1cc(Br)ccc1CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000187855156 552426611 /nfs/dbraw/zinc/42/66/11/552426611.db2.gz WIVOIPYNSKNDLD-SWLSCSKDSA-N 1 0 382.302 2.836 10 0 GFAERO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000188141536 552436518 /nfs/dbraw/zinc/43/65/18/552436518.db2.gz CJNSGXYPSLFDEW-MRXNPFEDSA-N 1 0 396.329 2.933 10 0 GFAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccncc2Br)C1 ZINC000190620488 552503605 /nfs/dbraw/zinc/50/36/05/552503605.db2.gz JNIBSUNSDGTJRK-OAHLLOKOSA-N 1 0 389.297 2.833 10 0 GFAERO COCC[N@@H+](Cc1cccnc1)C[C@@H](O)COc1cccc(Br)c1 ZINC000191127641 552519637 /nfs/dbraw/zinc/51/96/37/552519637.db2.gz YHHFEAUOHOUONN-QGZVFWFLSA-N 1 0 395.297 2.732 10 0 GFAERO COc1cc(Cl)c(Cl)cc1NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000191277374 552523750 /nfs/dbraw/zinc/52/37/50/552523750.db2.gz LATMRZDIYKCHKV-NSHDSACASA-N 1 0 376.284 2.970 10 0 GFAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1cccs1 ZINC000192680609 552971307 /nfs/dbraw/zinc/97/13/07/552971307.db2.gz KVBKLOPPERRJIP-OLZOCXBDSA-N 1 0 381.523 2.676 10 0 GFAERO Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000192842801 552975558 /nfs/dbraw/zinc/97/55/58/552975558.db2.gz MIXJLXJSPDOZGG-LBPRGKRZSA-N 1 0 381.885 2.585 10 0 GFAERO CCCCN(C(=O)C[NH2+][C@H](C)c1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000193111966 552983818 /nfs/dbraw/zinc/98/38/18/552983818.db2.gz ZAGYINXGQUFWBU-CHWSQXEVSA-N 1 0 392.974 2.868 10 0 GFAERO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN([C@@H](C)C(=O)Nc2nccs2)C1 ZINC000195265378 553043201 /nfs/dbraw/zinc/04/32/01/553043201.db2.gz CJPMAJKGQMSIQT-UONOGXRCSA-N 1 0 379.555 2.689 10 0 GFAERO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195334537 553045674 /nfs/dbraw/zinc/04/56/74/553045674.db2.gz PWACENRBVKGRTN-INIZCTEOSA-N 1 0 375.270 2.555 10 0 GFAERO [NH3+]C[C@@H]1CCCCN1C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000237828151 553082993 /nfs/dbraw/zinc/08/29/93/553082993.db2.gz ZXADOMLOIXAJDA-NSHDSACASA-N 1 0 399.314 2.833 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C)c2ccc(Cl)s2)CC1=O ZINC000246524584 553109382 /nfs/dbraw/zinc/10/93/82/553109382.db2.gz WAEPFISWEQWXRY-HZSPNIEDSA-N 1 0 383.945 2.912 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000247085642 553118313 /nfs/dbraw/zinc/11/83/13/553118313.db2.gz ZOHPALJZGRJSGP-UONOGXRCSA-N 1 0 384.307 2.947 10 0 GFAERO CCOCC[N@@H+]1CCN(CCC(=O)Nc2ccccc2Br)C[C@H]1C ZINC000247869939 553125687 /nfs/dbraw/zinc/12/56/87/553125687.db2.gz XHZHTZIQHYGYCC-OAHLLOKOSA-N 1 0 398.345 2.820 10 0 GFAERO C[C@@H]1CN([C@H](CNC(=O)N(C)Cc2cscn2)c2cccs2)CCO1 ZINC000248325645 553128356 /nfs/dbraw/zinc/12/83/56/553128356.db2.gz BIVOJUYMQRJJCA-UKRRQHHQSA-N 1 0 380.539 2.808 10 0 GFAERO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248450401 553129937 /nfs/dbraw/zinc/12/99/37/553129937.db2.gz OYAQYJWGEJYFEU-WQGACYEGSA-N 1 0 375.296 2.594 10 0 GFAERO CC[C@H]1CN(C(=O)NCc2cccc(C)c2Br)CC[N@@H+]1C[C@H](C)O ZINC000248722811 553133673 /nfs/dbraw/zinc/13/36/73/553133673.db2.gz TXYHZTZRTIOQIH-HOCLYGCPSA-N 1 0 398.345 2.744 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccc(I)cc1 ZINC000249019681 553137952 /nfs/dbraw/zinc/13/79/52/553137952.db2.gz KOWMCWDCWHHPKB-DOMZBBRYSA-N 1 0 384.261 2.529 10 0 GFAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000261688284 553156476 /nfs/dbraw/zinc/15/64/76/553156476.db2.gz RLXWZKWCRWYKMA-RPBQFNSTSA-N 1 0 384.307 2.745 10 0 GFAERO C[C@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000262297025 553168495 /nfs/dbraw/zinc/16/84/95/553168495.db2.gz OZFYXLCZKAZKKS-TUAOUCFPSA-N 1 0 383.286 2.915 10 0 GFAERO COC[C@@H]([NH3+])C(=O)N[C@@](C)(Cc1cccc(Br)c1)c1ccccc1 ZINC000262515016 553171835 /nfs/dbraw/zinc/17/18/35/553171835.db2.gz KCNSDFOKOGOJKN-MJGOQNOKSA-N 1 0 391.309 2.997 10 0 GFAERO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C[C@H]1[NH+](C)C ZINC000300186906 563391682 /nfs/dbraw/zinc/39/16/82/563391682.db2.gz LUDGFDRKFIQXQZ-NOZJJQNGSA-N 1 0 381.723 2.673 10 0 GFAERO COCC[NH+]1CCN(Cc2cc(C)c(I)cc2C)CC1 ZINC000675076111 565890899 /nfs/dbraw/zinc/89/08/99/565890899.db2.gz YXHQQWQMJMUKNR-UHFFFAOYSA-N 1 0 388.293 2.672 10 0 GFAERO O[C@@H]1C[N@H+](Cc2ccsc2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000012448868 570667712 /nfs/dbraw/zinc/66/77/12/570667712.db2.gz XHSUZRSRQKOWGA-WOJBJXKFSA-N 1 0 375.513 2.645 10 0 GFAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000122328295 654734133 /nfs/dbraw/zinc/73/41/33/654734133.db2.gz JCMMWYDDERWSCT-AWEZNQCLSA-N 1 0 394.317 2.736 10 0 GFAERO C[NH+](C)C[C@H]1CN(Cc2cc(Br)ccc2OC(F)F)CCO1 ZINC000128236661 654842913 /nfs/dbraw/zinc/84/29/13/654842913.db2.gz GXTXGQKPLQGGFW-ZDUSSCGKSA-N 1 0 379.245 2.813 10 0 GFAERO C[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(Br)c1 ZINC000129214691 654860603 /nfs/dbraw/zinc/86/06/03/654860603.db2.gz IYDHJFNEOAGNKU-QWHCGFSZSA-N 1 0 375.332 2.771 10 0 GFAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cnc(Br)c(Br)c2)C1 ZINC000136522337 655032664 /nfs/dbraw/zinc/03/26/64/655032664.db2.gz XYYWXXHMMIDBLP-VIFPVBQESA-N 1 0 392.095 2.774 10 0 GFAERO COCC[N@@H+]1CCN(Cc2ccc(OC)c(OC)c2Br)C[C@@H]1C ZINC000106106951 655102760 /nfs/dbraw/zinc/10/27/60/655102760.db2.gz OVAXEWRVEBPQEC-ZDUSSCGKSA-N 1 0 387.318 2.619 10 0 GFAERO Cc1nc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)sc1C ZINC000112519062 655193067 /nfs/dbraw/zinc/19/30/67/655193067.db2.gz WBWPORLBJOHOHV-NEPJUHHUSA-N 1 0 381.523 2.841 10 0 GFAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCOc2ccccc2Br)C[C@H]1C ZINC000174336205 655199848 /nfs/dbraw/zinc/19/98/48/655199848.db2.gz PWKMFETWDUFAQG-HUUCEWRRSA-N 1 0 399.329 2.522 10 0 GFAERO C[C@H](Sc1ccc(Br)cc1)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116783677 655253217 /nfs/dbraw/zinc/25/32/17/655253217.db2.gz ISFJLGBJYAPCGO-JSGCOSHPSA-N 1 0 387.343 2.719 10 0 GFAERO COc1cc(Br)cc(C)c1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116928624 655256903 /nfs/dbraw/zinc/25/69/03/655256903.db2.gz LWENYLLQOZHJSB-ZDUSSCGKSA-N 1 0 386.290 2.560 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccnc(Cl)c2I)C1 ZINC000179591909 655315046 /nfs/dbraw/zinc/31/50/46/655315046.db2.gz KKYMVRQVOSLXNE-SECBINFHSA-N 1 0 393.656 2.554 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000120955776 655346873 /nfs/dbraw/zinc/34/68/73/655346873.db2.gz ISDLKDXKJSYVIA-DTWKUNHWSA-N 1 0 384.370 2.629 10 0 GFAERO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193549080 655410963 /nfs/dbraw/zinc/41/09/63/655410963.db2.gz ZKSCAAJEQWESRU-GXFFZTMASA-N 1 0 379.254 2.734 10 0 GFAERO CC[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2Cl)CCN1C[C@H](C)O ZINC000246372471 655429937 /nfs/dbraw/zinc/42/99/37/655429937.db2.gz HRIVQHTXOKROLL-WDEREUQCSA-N 1 0 379.810 2.671 10 0 GFAERO C[NH2+][C@@H](C)CNC(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000261748815 655442221 /nfs/dbraw/zinc/44/22/21/655442221.db2.gz NEYAGIIYVYSWHB-ZETCQYMHSA-N 1 0 386.155 2.648 10 0 GFAERO COc1ccc(N2C[C@](O)(c3ccc4c(c3)OCCO4)[N+]3=C2CCCC3)cc1 ZINC000002966364 203977106 /nfs/dbraw/zinc/97/71/06/203977106.db2.gz QBWZRIZCVCZJQY-QFIPXVFZSA-N 1 0 381.452 2.727 10 0 GFAERO C[C@H]([NH2+]Cc1cn(CCC(N)=O)c2ccccc12)c1ccc(-n2cncn2)cc1 ZINC000055393425 205148710 /nfs/dbraw/zinc/14/87/10/205148710.db2.gz ZMTXDEAZFDRAIW-INIZCTEOSA-N 1 0 388.475 2.948 10 0 GFAERO O=C(NCC[NH+]1CCCC1)c1ccc(-c2ccnc(N3CCCCC3)n2)cc1 ZINC000065171756 205215556 /nfs/dbraw/zinc/21/55/56/205215556.db2.gz HZZXNRTUVDHUER-UHFFFAOYSA-N 1 0 379.508 2.960 10 0 GFAERO CN(Cc1cc(C(C)(C)C)n[nH]1)c1nc(-c2cccnc2)nc2c1CC[NH2+]C2 ZINC000071416145 205283128 /nfs/dbraw/zinc/28/31/28/205283128.db2.gz ADXDFYOTXJOWGV-UHFFFAOYSA-N 1 0 377.496 2.841 10 0 GFAERO COc1cccc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)N4CCCCC4)nn3)C2)c1 ZINC000299780640 206190190 /nfs/dbraw/zinc/19/01/90/206190190.db2.gz BDGQWLPHICLSPC-GOSISDBHSA-N 1 0 383.496 2.750 10 0 GFAERO [NH3+][C@@H]1CCCN(c2nc3ccsc3c(=O)n2Cc2c(F)cccc2F)C1 ZINC000057344555 527348661 /nfs/dbraw/zinc/34/86/61/527348661.db2.gz SPDUULXOMLGELP-LLVKDONJSA-N 1 0 376.432 2.712 10 0 GFAERO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccc(F)cc1Br ZINC000040446198 551134921 /nfs/dbraw/zinc/13/49/21/551134921.db2.gz YIQXSRWKZNBTLM-LBPRGKRZSA-N 1 0 381.311 2.843 10 0 GFAERO O=C(c1cc(Cl)ccc1I)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000049516025 551159097 /nfs/dbraw/zinc/15/90/97/551159097.db2.gz KUAGAUMXSKXLJZ-NSHDSACASA-N 1 0 390.652 2.865 10 0 GFAERO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116318760 551211627 /nfs/dbraw/zinc/21/16/27/551211627.db2.gz GNRWTNDETZMAAS-CQSZACIVSA-N 1 0 391.313 2.631 10 0 GFAERO CC[C@@H]1CN(C(=O)NCc2ccccc2Br)CC[N@@H+]1CCOC ZINC000117486584 551213780 /nfs/dbraw/zinc/21/37/80/551213780.db2.gz HTVMZDJLULQMCD-OAHLLOKOSA-N 1 0 384.318 2.701 10 0 GFAERO Brc1ccc2c(c1)C=C(C[N@@H+]1CC[C@H](N3CCOCC3)C1)CO2 ZINC000121055471 551226358 /nfs/dbraw/zinc/22/63/58/551226358.db2.gz QVWZPUFLNRVSBL-KRWDZBQOSA-N 1 0 379.298 2.631 10 0 GFAERO CC[C@@H]1CN(C(=O)Nc2ccc(C)nc2Br)CC[N@@H+]1CCOC ZINC000151432688 551413148 /nfs/dbraw/zinc/41/31/48/551413148.db2.gz MWJWVGIKZOBSHP-CYBMUJFWSA-N 1 0 385.306 2.727 10 0 GFAERO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000152216690 551428414 /nfs/dbraw/zinc/42/84/14/551428414.db2.gz ZIMVDQDYUAVUPU-GXTWGEPZSA-N 1 0 387.293 2.556 10 0 GFAERO Brc1cc2cccnc2c(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000163752710 551621998 /nfs/dbraw/zinc/62/19/98/551621998.db2.gz CDEZISPMUDRGDP-QGZVFWFLSA-N 1 0 376.298 2.904 10 0 GFAERO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000170946088 551643450 /nfs/dbraw/zinc/64/34/50/551643450.db2.gz ZQNVWSMFMKSVJN-HNNXBMFYSA-N 1 0 375.270 2.555 10 0 GFAERO COc1cc(Br)c(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1OC ZINC000171506081 551657607 /nfs/dbraw/zinc/65/76/07/551657607.db2.gz CZVHYHUTQSULQI-ZDUSSCGKSA-N 1 0 395.301 2.970 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncnc2ccc(I)cc21 ZINC000172760284 551686313 /nfs/dbraw/zinc/68/63/13/551686313.db2.gz HGQOFPQZSZOEMW-DGCLKSJQSA-N 1 0 394.260 2.907 10 0 GFAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3cccc(Br)c3)C2=O)n(C)n1 ZINC000173853596 552094418 /nfs/dbraw/zinc/09/44/18/552094418.db2.gz GEWNJVOYHHIHQY-HNNXBMFYSA-N 1 0 377.286 2.776 10 0 GFAERO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174202441 552102253 /nfs/dbraw/zinc/10/22/53/552102253.db2.gz IZDSHRVCTMWPSJ-ZIAGYGMSSA-N 1 0 387.307 2.941 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)CCc2cc(Cl)ccc2Br)CCO1 ZINC000176059678 552134666 /nfs/dbraw/zinc/13/46/66/552134666.db2.gz ZLIRDQOIHJQUIR-AWEZNQCLSA-N 1 0 389.721 2.824 10 0 GFAERO O=C(c1ccc(I)c(Cl)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000176282539 552137866 /nfs/dbraw/zinc/13/78/66/552137866.db2.gz NNYWYJRLUYVLLX-LLVKDONJSA-N 1 0 390.652 2.865 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000176362594 552139210 /nfs/dbraw/zinc/13/92/10/552139210.db2.gz OPAXGHOWFIJYNA-CYBMUJFWSA-N 1 0 388.921 2.660 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(F)cc1I ZINC000177009575 552149643 /nfs/dbraw/zinc/14/96/43/552149643.db2.gz KRWATGZISXXYRO-GFCCVEGCSA-N 1 0 390.240 2.987 10 0 GFAERO Brc1cc(CN2CCC[C@H](Cn3cncn3)C2)cc2c1OCCO2 ZINC000179225199 552187546 /nfs/dbraw/zinc/18/75/46/552187546.db2.gz RAXQFNAUPUOLPD-ZDUSSCGKSA-N 1 0 393.285 2.724 10 0 GFAERO CC[C@H](O)C[NH+]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000179560292 552196528 /nfs/dbraw/zinc/19/65/28/552196528.db2.gz XLFQDXUCPFLYAD-SFHVURJKSA-N 1 0 393.329 2.523 10 0 GFAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000180353774 552223666 /nfs/dbraw/zinc/22/36/66/552223666.db2.gz UNWCIMLYRFCUCV-PXAZEXFGSA-N 1 0 389.323 2.578 10 0 GFAERO CCOc1ccc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1Br ZINC000189490074 552473326 /nfs/dbraw/zinc/47/33/26/552473326.db2.gz AELUFEMVXOKGQJ-CYBMUJFWSA-N 1 0 386.290 2.642 10 0 GFAERO Cc1cnc(CNC(=O)N2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)s1 ZINC000190720100 552506882 /nfs/dbraw/zinc/50/68/82/552506882.db2.gz DOHQPESXHHSWSQ-CQSZACIVSA-N 1 0 379.555 2.880 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000191969318 552544454 /nfs/dbraw/zinc/54/44/54/552544454.db2.gz PIWMLZWBYMLNCI-JTQLQIEISA-N 1 0 388.693 2.642 10 0 GFAERO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000192000778 552545482 /nfs/dbraw/zinc/54/54/82/552545482.db2.gz OTNASMZTJZLASN-HSMVNMDESA-N 1 0 375.296 2.594 10 0 GFAERO CC[C@@H]1CN(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC[N@@H+]1C[C@@H](C)O ZINC000192311399 552559383 /nfs/dbraw/zinc/55/93/83/552559383.db2.gz GVPNOTMMLXZRHF-ZYHUDNBSSA-N 1 0 375.300 2.885 10 0 GFAERO CCCCN(C(=O)C[NH2+][C@@H](C)c1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000193111944 552983873 /nfs/dbraw/zinc/98/38/73/552983873.db2.gz ZAGYINXGQUFWBU-QWHCGFSZSA-N 1 0 392.974 2.868 10 0 GFAERO [NH3+]C[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1I ZINC000226232846 553061373 /nfs/dbraw/zinc/06/13/73/553061373.db2.gz XFVWUHZKBXLIMP-SNVBAGLBSA-N 1 0 378.641 2.898 10 0 GFAERO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000237434483 553077671 /nfs/dbraw/zinc/07/76/71/553077671.db2.gz MFKZVKVGIDERSI-UKPHBRMFSA-N 1 0 380.330 2.782 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c(F)cccc1I ZINC000246023556 553101091 /nfs/dbraw/zinc/10/10/91/553101091.db2.gz OCJZUOLCHXUYTB-QWRGUYRKSA-N 1 0 388.224 2.739 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2cc3c(c(Br)c2)OCO3)C1 ZINC000247029703 553117518 /nfs/dbraw/zinc/11/75/18/553117518.db2.gz HROOGJSHWBRGBB-BXUZGUMPSA-N 1 0 398.301 2.706 10 0 GFAERO COCCN1CCN(C(=O)N[C@H]2CCc3c2cccc3Br)C[C@H]1C ZINC000247090439 553118671 /nfs/dbraw/zinc/11/86/71/553118671.db2.gz LYYNQLIPFWYCQZ-DYVFJYSZSA-N 1 0 396.329 2.799 10 0 GFAERO C[C@H]1CN([C@H](CNC(=O)NCCc2nccs2)c2cccs2)CCO1 ZINC000247105694 553118979 /nfs/dbraw/zinc/11/89/79/553118979.db2.gz WMFNDRGFUANECZ-UONOGXRCSA-N 1 0 380.539 2.508 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000247480701 553122758 /nfs/dbraw/zinc/12/27/58/553122758.db2.gz SQELTYXJXYDUAE-UWVGGRQHSA-N 1 0 395.269 2.585 10 0 GFAERO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247576382 553123939 /nfs/dbraw/zinc/12/39/39/553123939.db2.gz HVSGRTFLECPYML-UONOGXRCSA-N 1 0 392.301 2.780 10 0 GFAERO CC[C@H]1CN(Cc2nc3cc(Br)ccc3[nH]2)CC[N@@H+]1C[C@H](C)O ZINC000248393174 553128828 /nfs/dbraw/zinc/12/88/28/553128828.db2.gz GIKKNSHNCFKNBW-JSGCOSHPSA-N 1 0 381.318 2.602 10 0 GFAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3)C[C@H]12 ZINC000248588098 553131300 /nfs/dbraw/zinc/13/13/00/553131300.db2.gz GNZMLMUMODPLQR-LZJQFABFSA-N 1 0 382.291 2.542 10 0 GFAERO CC[C@H]1CN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC[N@@H+]1C[C@H](C)O ZINC000249557783 553144429 /nfs/dbraw/zinc/14/44/29/553144429.db2.gz KLHLYJLLYQGVBH-RYUDHWBXSA-N 1 0 382.917 2.709 10 0 GFAERO C[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000602590699 565856623 /nfs/dbraw/zinc/85/66/23/565856623.db2.gz DJRRNLOZNXXWLA-WPRPVWTQSA-N 1 0 378.641 2.611 10 0 GFAERO COC(=O)c1cc2c(cc1F)[C@H](NC(=O)OC(C)(C)C)C[C@]1(CC[NH2+]C1)O2 ZINC000725259913 570306920 /nfs/dbraw/zinc/30/69/20/570306920.db2.gz KJCJMDBPFCHHAL-KUHUBIRLSA-N 1 0 380.416 2.693 10 0 GFAERO Cc1cc(C)c(C(=O)N2CCC(CC(=O)NCCC[NH+]3CCCCC3)CC2)[nH]1 ZINC000033024355 570653280 /nfs/dbraw/zinc/65/32/80/570653280.db2.gz QPWHHDXOSOYGSU-UHFFFAOYSA-N 1 0 388.556 2.866 10 0 GFAERO COCCN1C(=O)C[C@@H](C[NH2+]Cc2c(C)oc3ccccc32)[C@@H]1c1cnn(C)c1 ZINC000275320818 570690161 /nfs/dbraw/zinc/69/01/61/570690161.db2.gz OZTDUSRCXWNTHT-KSFYIVLOSA-N 1 0 396.491 2.801 10 0 GFAERO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(Cl)c2)cc1S(N)(=O)=O ZINC000015481943 654510284 /nfs/dbraw/zinc/51/02/84/654510284.db2.gz RGVBNVHMJULGIF-LBPRGKRZSA-N 1 0 381.885 2.585 10 0 GFAERO CCN1CCC[C@@H]1C[N@H+](C)Cn1nc(Br)c(=O)c2ccccc21 ZINC000124257858 654772946 /nfs/dbraw/zinc/77/29/46/654772946.db2.gz NHBVRBHJMKKOCT-CYBMUJFWSA-N 1 0 379.302 2.533 10 0 GFAERO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc(I)c(Cl)c1 ZINC000131158280 654897139 /nfs/dbraw/zinc/89/71/39/654897139.db2.gz OHATZAHOGLGWOY-SNVBAGLBSA-N 1 0 378.641 2.898 10 0 GFAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc(Br)c1 ZINC000067653605 654942442 /nfs/dbraw/zinc/94/24/42/654942442.db2.gz VKAXNEREBMFSPJ-RDJZCZTQSA-N 1 0 399.329 2.522 10 0 GFAERO Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CN2CCO[C@@H](C[NH+](C)C)C2)n1 ZINC000152978837 655063459 /nfs/dbraw/zinc/06/34/59/655063459.db2.gz VWEXDEQJFXMMOO-AWEZNQCLSA-N 1 0 384.311 2.780 10 0 GFAERO C[NH+](C)C[C@H]1CN(Cn2cc(Br)c(-c3ccc(F)cc3)n2)CCO1 ZINC000153003829 655063901 /nfs/dbraw/zinc/06/39/01/655063901.db2.gz ORZJICJEBMBXKW-HNNXBMFYSA-N 1 0 397.292 2.672 10 0 GFAERO Brc1cc2c(cc1C[N@@H+]1CCC[C@@H](Cn3cncn3)C1)OCO2 ZINC000106174809 655104487 /nfs/dbraw/zinc/10/44/87/655104487.db2.gz OYINJWGTGRJFQC-GFCCVEGCSA-N 1 0 379.258 2.682 10 0 GFAERO O[C@H](CNCc1nc(-c2cccc(Br)c2)c[nH]1)C[NH+]1CCCCC1 ZINC000111383597 655172256 /nfs/dbraw/zinc/17/22/56/655172256.db2.gz APUBXUZLGAUDLD-MRXNPFEDSA-N 1 0 393.329 2.776 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000113270188 655206572 /nfs/dbraw/zinc/20/65/72/655206572.db2.gz XHYAKDGDFZJZAY-TZMCWYRMSA-N 1 0 386.359 2.638 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1I ZINC000175042314 655213239 /nfs/dbraw/zinc/21/32/39/655213239.db2.gz UAKAVNBKVAHLHK-QWHCGFSZSA-N 1 0 384.261 2.990 10 0 GFAERO CC(C)Oc1cc(Br)ccc1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116786849 655253607 /nfs/dbraw/zinc/25/36/07/655253607.db2.gz JAYOVYQVMKMXEM-CQSZACIVSA-N 1 0 385.302 2.639 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CSc1nnc(-c2cccs2)n1C ZINC000177042771 655265944 /nfs/dbraw/zinc/26/59/44/655265944.db2.gz UVRQUVUKWWFIFS-CYBMUJFWSA-N 1 0 379.555 2.578 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1csc(I)c1 ZINC000118899045 655283381 /nfs/dbraw/zinc/28/33/81/655283381.db2.gz REIUAKLUHFWPLM-NSHDSACASA-N 1 0 378.279 2.909 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(I)c(F)cc2F)C1 ZINC000120469272 655336603 /nfs/dbraw/zinc/33/66/03/655336603.db2.gz HDTIPPMABVHVLH-VIFPVBQESA-N 1 0 394.203 2.784 10 0 GFAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)C[C@H]2CSCCS2)C1 ZINC000251705838 655435043 /nfs/dbraw/zinc/43/50/43/655435043.db2.gz JSPGPMNIYFVFGS-CABCVRRESA-N 1 0 385.624 2.971 10 0 GFAERO C[NH2+][C@@H](C)CNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000261681397 655441876 /nfs/dbraw/zinc/44/18/76/655441876.db2.gz HOJQRVBVMQYFBW-LBPRGKRZSA-N 1 0 391.313 2.851 10 0 GFAERO Brc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3COCCN3)C2)cc1 ZINC000261864298 655442821 /nfs/dbraw/zinc/44/28/21/655442821.db2.gz CMOAXHVQNBUHBE-AITUJVMLSA-N 1 0 394.357 2.775 10 0 GFAERO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000262651459 655446452 /nfs/dbraw/zinc/44/64/52/655446452.db2.gz YCAJYXKNKOQOLR-HLLBOEOZSA-N 1 0 383.330 2.888 10 0 GFAERO CCOC(=O)C[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000262645173 655446539 /nfs/dbraw/zinc/44/65/39/655446539.db2.gz UEQGOKMSHTVAHQ-SNPRPXQTSA-N 1 0 383.286 2.687 10 0 GFAERO CC1CC[NH+](CC[C@H]2CCCN2S(=O)(=O)c2ccc3c[nH]nc3c2)CC1 ZINC000013819781 207001176 /nfs/dbraw/zinc/00/11/76/207001176.db2.gz JRGQURVZDDDHRO-QGZVFWFLSA-N 1 0 376.526 2.838 10 0 GFAERO Cc1nc(-c2cc(=O)[nH]c(-c3cccc(C[NH+]4CCC(O)CC4)c3)n2)cs1 ZINC000023540824 207278453 /nfs/dbraw/zinc/27/84/53/207278453.db2.gz ORBRNNPPHCGYEJ-UHFFFAOYSA-N 1 0 382.489 2.826 10 0 GFAERO O=C(CCCn1cncn1)N[C@@H]1CCCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000082086665 208077167 /nfs/dbraw/zinc/07/71/67/208077167.db2.gz ZPJGWDXXJMVZLM-GOSISDBHSA-N 1 0 375.904 2.883 10 0 GFAERO O[C@@H]1C[C@@](C[NH2+]CC2CCCC2)(COc2ccc(C(F)(F)F)cn2)C[C@@H]1O ZINC000107430430 208724819 /nfs/dbraw/zinc/72/48/19/208724819.db2.gz ZCRBINUTNYOHSW-ALXJQNPVSA-N 1 0 388.430 2.761 10 0 GFAERO CCOC(CN(CCc1ccccc1)C(=O)[C@@H]([NH3+])COC(C)(C)C)OCC ZINC000261508600 209083070 /nfs/dbraw/zinc/08/30/70/209083070.db2.gz VBLAZXNVUPZVOA-SFHVURJKSA-N 1 0 380.529 2.599 10 0 GFAERO CC(C)[C@@H](CO)[NH2+]C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1 ZINC000503973392 528481208 /nfs/dbraw/zinc/48/12/08/528481208.db2.gz GPQWLJZZYQYZJV-TZIWHRDSSA-N 1 0 385.504 2.848 10 0 GFAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1I ZINC000405629405 563539295 /nfs/dbraw/zinc/53/92/95/563539295.db2.gz YRMLLVFEBNCELM-UFBFGSQYSA-N 1 0 378.641 2.701 10 0 GFAERO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000057679613 551181443 /nfs/dbraw/zinc/18/14/43/551181443.db2.gz RCYIBMHISXOCJQ-NWDGAFQWSA-N 1 0 381.885 2.665 10 0 GFAERO C[NH+](C)C[C@H]1CN(Cc2nc(-c3cccc(Br)c3)c[nH]2)CCO1 ZINC000128202493 551347736 /nfs/dbraw/zinc/34/77/36/551347736.db2.gz XDEBABSQJXTXEZ-HNNXBMFYSA-N 1 0 379.302 2.602 10 0 GFAERO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000151428726 551413142 /nfs/dbraw/zinc/41/31/42/551413142.db2.gz PBNSXZKWFFRNFT-GFCCVEGCSA-N 1 0 379.254 2.640 10 0 GFAERO C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000170866855 551641668 /nfs/dbraw/zinc/64/16/68/551641668.db2.gz OFHJEFOQEADXOH-HOTGVXAUSA-N 1 0 384.307 2.761 10 0 GFAERO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171907164 551666189 /nfs/dbraw/zinc/66/61/89/551666189.db2.gz YSMRJLDSMADDMI-NVXWUHKLSA-N 1 0 393.329 2.517 10 0 GFAERO CCC[N@H+](C)C[C@H]1CCN(C[C@H](O)COc2cccc(Br)c2)C1 ZINC000176284125 552137777 /nfs/dbraw/zinc/13/77/77/552137777.db2.gz WEOODWIEFXFROH-WBVHZDCISA-N 1 0 385.346 2.853 10 0 GFAERO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179280863 552189126 /nfs/dbraw/zinc/18/91/26/552189126.db2.gz HCTVSNRBANXRHU-AWEZNQCLSA-N 1 0 394.313 2.818 10 0 GFAERO C[C@H]([NH2+]CC(=O)N(CCC(N)=O)Cc1ccccc1)c1ccc(Cl)s1 ZINC000182991455 552298125 /nfs/dbraw/zinc/29/81/25/552298125.db2.gz XDLFONHQHQFGPD-ZDUSSCGKSA-N 1 0 379.913 2.956 10 0 GFAERO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000183129001 552300966 /nfs/dbraw/zinc/30/09/66/552300966.db2.gz NACOHXIWXPUOIV-TVQRCGJNSA-N 1 0 375.252 2.876 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ncc(Br)cc2Br)C1 ZINC000183546462 552312481 /nfs/dbraw/zinc/31/24/81/552312481.db2.gz RRFLSXDNSDVKJN-JTQLQIEISA-N 1 0 391.107 2.821 10 0 GFAERO CC[C@@H]1CN(C(=O)N[C@@H](C)c2cccc(Br)c2)CC[N@@H+]1C[C@@H](C)O ZINC000184820968 552345270 /nfs/dbraw/zinc/34/52/70/552345270.db2.gz FILQVLUWJZMEOL-JKIFEVAISA-N 1 0 398.345 2.997 10 0 GFAERO COc1cc(Br)ccc1CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000187851601 552426523 /nfs/dbraw/zinc/42/65/23/552426523.db2.gz OEVYISVVVDOKJL-HNNXBMFYSA-N 1 0 382.302 2.837 10 0 GFAERO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000188621936 552450154 /nfs/dbraw/zinc/45/01/54/552450154.db2.gz QHAKKOFUEZBCEM-YCPHGPKFSA-N 1 0 379.444 2.922 10 0 GFAERO C[C@@H]1C[N@H+](CCOc2cc(F)cc(Br)c2)C[C@@H]1N1CCOCC1 ZINC000189095019 552463077 /nfs/dbraw/zinc/46/30/77/552463077.db2.gz MFUYKUBBSFGRBD-DYVFJYSZSA-N 1 0 387.293 2.620 10 0 GFAERO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2cccs2)cc1S(=O)(=O)N(C)C ZINC000192870627 552976706 /nfs/dbraw/zinc/97/67/06/552976706.db2.gz ARUPZYONKPUBIW-CYBMUJFWSA-N 1 0 381.523 2.596 10 0 GFAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(Br)cc2Br)C1 ZINC000218782178 553054257 /nfs/dbraw/zinc/05/42/57/553054257.db2.gz AWYAPNXITMBENC-JTQLQIEISA-N 1 0 376.092 2.988 10 0 GFAERO [NH3+]C[C@H]1CCCN1S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000238058245 553085771 /nfs/dbraw/zinc/08/57/71/553085771.db2.gz SSQSQIUPPPHXCF-MRVPVSSYSA-N 1 0 387.221 2.580 10 0 GFAERO NC(=O)[C@@H](c1ccc(Br)cc1)N1CC[C@@H](CNc2ccccn2)C1 ZINC000245928678 553099840 /nfs/dbraw/zinc/09/98/40/553099840.db2.gz XRXYUUSAIPETOS-SUMWQHHRSA-N 1 0 389.297 2.805 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(Cc2ncc(-c3ccccc3Br)o2)C[C@@H]1C ZINC000246498868 553108210 /nfs/dbraw/zinc/10/82/10/553108210.db2.gz AYPSFUZQIRRSAB-KBPBESRZSA-N 1 0 394.313 2.991 10 0 GFAERO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000246926750 553115808 /nfs/dbraw/zinc/11/58/08/553115808.db2.gz ZDRQRYWPFGAQJC-ZMSDIMECSA-N 1 0 397.357 2.931 10 0 GFAERO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247657000 553124722 /nfs/dbraw/zinc/12/47/22/553124722.db2.gz YSMRJLDSMADDMI-RDJZCZTQSA-N 1 0 393.329 2.517 10 0 GFAERO O[C@H](C[N@@H+]1CCC[C@@H](Cn2cncn2)C1)c1ccc(F)c(Br)c1 ZINC000248432301 553129559 /nfs/dbraw/zinc/12/95/59/553129559.db2.gz YVZYSRCJQYOTJI-MLGOLLRUSA-N 1 0 383.265 2.625 10 0 GFAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1Oc1cccc(Br)c1 ZINC000262068463 553165290 /nfs/dbraw/zinc/16/52/90/553165290.db2.gz BKTQKXITZPMBRF-WBMJQRKESA-N 1 0 391.265 2.552 10 0 GFAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H](Sc1ccccc1Cl)c1ccccc1 ZINC000262403601 553170143 /nfs/dbraw/zinc/17/01/43/553170143.db2.gz YUPUIRQUCNMAEW-ZVZYQTTQSA-N 1 0 376.909 2.870 10 0 GFAERO COC[C@@H]([NH3+])C(=O)N[C@H](c1ccccc1)c1ccc(OC)c(Br)c1 ZINC000262564383 553172431 /nfs/dbraw/zinc/17/24/31/553172431.db2.gz RIPGHJBFJQEHNY-NVXWUHKLSA-N 1 0 393.281 2.637 10 0 GFAERO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)ccc2I)C1 ZINC000389973840 563522766 /nfs/dbraw/zinc/52/27/66/563522766.db2.gz IFIXKWLUGKVCAV-SNVBAGLBSA-N 1 0 378.641 2.769 10 0 GFAERO C[C@@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@@H]1C[NH3+] ZINC000638913336 565218044 /nfs/dbraw/zinc/21/80/44/565218044.db2.gz LPRWSQPGKFAUDL-RQJHMYQMSA-N 1 0 382.121 2.940 10 0 GFAERO [NH3+]C[C@@H]1CN(c2ccc(I)cn2)CC[C@@H]1C(F)(F)F ZINC000600863401 565753009 /nfs/dbraw/zinc/75/30/09/565753009.db2.gz MDXASMWWUJSONT-SCZZXKLOSA-N 1 0 385.171 2.650 10 0 GFAERO C[NH+](C)CCNC(=O)c1ccc(CN2CCN(c3cccc(Cl)c3)CC2)o1 ZINC000034668664 570292959 /nfs/dbraw/zinc/29/29/59/570292959.db2.gz DVJKATAOXCRVRG-UHFFFAOYSA-N 1 0 390.915 2.547 10 0 GFAERO COCCN1C(=O)C[C@@H](C[NH2+]Cc2cc3ccccc3s2)[C@@H]1c1cnn(C)c1 ZINC000275351105 570691912 /nfs/dbraw/zinc/69/19/12/570691912.db2.gz UBPGVNKCPDFFEZ-HRAATJIYSA-N 1 0 398.532 2.961 10 0 GFAERO O=C(CC[N@@H+]1CCC[C@H](n2cncn2)C1)Nc1cccc(Br)c1 ZINC000124548976 654778058 /nfs/dbraw/zinc/77/80/58/654778058.db2.gz OLDDNLGCYTWQLE-HNNXBMFYSA-N 1 0 378.274 2.706 10 0 GFAERO CC[C@H]1CN(CCC(=O)Nc2cccc(Br)c2)CC[N@@H+]1CCOC ZINC000124603996 654779267 /nfs/dbraw/zinc/77/92/67/654779267.db2.gz DNPYGQBFNHSOES-KRWDZBQOSA-N 1 0 398.345 2.820 10 0 GFAERO C[C@H](Sc1nc2ccccc2s1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000133612567 654968280 /nfs/dbraw/zinc/96/82/80/654968280.db2.gz MJDGQOTUDCYALL-KBPBESRZSA-N 1 0 379.551 2.740 10 0 GFAERO Cc1nnsc1C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCc2cccs2)C1 ZINC000072407121 655003907 /nfs/dbraw/zinc/00/39/07/655003907.db2.gz LFFIQUYEJPOFRV-GOEBONIOSA-N 1 0 376.551 2.964 10 0 GFAERO COc1cc(Cl)c(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1Cl ZINC000113305695 655207940 /nfs/dbraw/zinc/20/79/40/655207940.db2.gz CDYASUGFKSFHBC-WDEREUQCSA-N 1 0 379.309 2.859 10 0 GFAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2cc(F)cc(Br)c2)CC1 ZINC000176892636 655259563 /nfs/dbraw/zinc/25/95/63/655259563.db2.gz FCWIBGYVTXVEPG-GFCCVEGCSA-N 1 0 387.293 2.753 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000177036794 655265727 /nfs/dbraw/zinc/26/57/27/655265727.db2.gz PJWYOFZEDXJQEM-INIZCTEOSA-N 1 0 396.329 2.512 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000118670321 655280489 /nfs/dbraw/zinc/28/04/89/655280489.db2.gz LJFWJOMXENDWMV-CYBMUJFWSA-N 1 0 375.332 2.862 10 0 GFAERO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(N)=O)c1cccc(Br)c1 ZINC000182580981 655345412 /nfs/dbraw/zinc/34/54/12/655345412.db2.gz FWMVIJMHLAKVSY-NSHDSACASA-N 1 0 376.254 2.837 10 0 GFAERO C[C@@H]([NH2+]CC(=O)NC1CCC2(CC1)OCCO2)c1cccc(Br)c1 ZINC000182582402 655345564 /nfs/dbraw/zinc/34/55/64/655345564.db2.gz UWXLAEWNFGYKFQ-CYBMUJFWSA-N 1 0 397.313 2.902 10 0 GFAERO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000193457865 655410363 /nfs/dbraw/zinc/41/03/63/655410363.db2.gz XJVDXYOWECMXRQ-RDDDGLTNSA-N 1 0 385.686 2.660 10 0 GFAERO CC[C@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2Cl)CCN1C[C@H](C)O ZINC000246372457 655429969 /nfs/dbraw/zinc/42/99/69/655429969.db2.gz HRIVQHTXOKROLL-QWRGUYRKSA-N 1 0 379.810 2.671 10 0 GFAERO CC[C@H](O)C[NH+]1CCN(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000118856752 677395684 /nfs/dbraw/zinc/39/56/84/677395684.db2.gz FGKLGWLIGIIYNM-HIFRSBDPSA-N 1 0 388.339 2.559 10 0 GFAERO COc1ccc(C(=O)Nc2nnc(CC[NH+]3CCCCC3)s2)cc1OC ZINC000095116129 209121591 /nfs/dbraw/zinc/12/15/91/209121591.db2.gz LTUPIFZXEXXARV-UHFFFAOYSA-N 1 0 376.482 2.836 10 0 GFAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(F)cc1 ZINC000003606284 206291947 /nfs/dbraw/zinc/29/19/47/206291947.db2.gz BCQKEAUFNXECKN-UXHICEINSA-N 1 0 385.483 2.543 10 0 in-vitro GFAERO Cc1cc(C[NH2+][C@H]2CCc3c(c(C(=O)N(C)Cc4ccccc4)nn3C)C2)on1 ZINC000014755896 207029220 /nfs/dbraw/zinc/02/92/20/207029220.db2.gz BYXUULCRWBZJPA-KRWDZBQOSA-N 1 0 393.491 2.636 10 0 GFAERO CCN(CC)C(=O)c1cn([C@H]2CCC[N@H+](Cc3ccc(NC(C)=O)cc3)C2)nn1 ZINC000014976839 207036680 /nfs/dbraw/zinc/03/66/80/207036680.db2.gz KYYJNJCKBCKUGO-IBGZPJMESA-N 1 0 398.511 2.556 10 0 GFAERO Cc1cccc(C[NH2+][C@@H]2CCc3c(c(C(=O)N(C)Cc4ccco4)nn3C)C2)n1 ZINC000014749136 207030104 /nfs/dbraw/zinc/03/01/04/207030104.db2.gz KLGNHRGHCBPYAD-MRXNPFEDSA-N 1 0 393.491 2.636 10 0 GFAERO O[C@@H](COc1ccc(Cl)cc1CN1CCOCC1)C[NH+]1CCCCCC1 ZINC000015076010 207045961 /nfs/dbraw/zinc/04/59/61/207045961.db2.gz ZBXSVMFDOFCDFG-LJQANCHMSA-N 1 0 382.932 2.788 10 0 GFAERO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](N(C)CC[NH+](CC)CC)C2 ZINC000023251410 207271783 /nfs/dbraw/zinc/27/17/83/207271783.db2.gz OYBLXSWGCYDIMP-GOSISDBHSA-N 1 0 389.588 2.660 10 0 GFAERO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(C(=O)c2cccc(C(=O)OC)c2)C1 ZINC000012449502 207315007 /nfs/dbraw/zinc/31/50/07/207315007.db2.gz QVJBXJLMTMDTJA-FQEVSTJZSA-N 1 0 381.476 2.995 10 0 GFAERO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cnc(-c2ccncc2)[nH]c1=O ZINC000091536829 208124364 /nfs/dbraw/zinc/12/43/64/208124364.db2.gz QXOMTTKIGWUUQO-LJQANCHMSA-N 1 0 389.459 2.811 10 0 GFAERO COc1ccc([N+]2=C3CCCCN3C[C@@]2(O)c2ccc3c(c2)OCCO3)cc1 ZINC000026505809 208903285 /nfs/dbraw/zinc/90/32/85/208903285.db2.gz PEOLIGAMMULHPN-JOCHJYFZSA-N 1 0 381.452 2.727 10 0 GFAERO [NH3+]C1CCN(c2nc3ccsc3c(=O)n2Cc2cc(F)cc(F)c2)CC1 ZINC000057344465 527145706 /nfs/dbraw/zinc/14/57/06/527145706.db2.gz INEZCLXJKMRBLU-UHFFFAOYSA-N 1 0 376.432 2.712 10 0 GFAERO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000121813246 551243366 /nfs/dbraw/zinc/24/33/66/551243366.db2.gz YVBHTEJKYXQMGP-CYBMUJFWSA-N 1 0 382.302 2.674 10 0 GFAERO O=C(CSc1cccc(Br)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000128052149 551346140 /nfs/dbraw/zinc/34/61/40/551346140.db2.gz MNVQYZLHOYZBHR-CQSZACIVSA-N 1 0 387.343 2.504 10 0 GFAERO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000150800864 551401660 /nfs/dbraw/zinc/40/16/60/551401660.db2.gz YCVVYEWPWIRYQG-WFASDCNBSA-N 1 0 382.302 2.541 10 0 GFAERO C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(I)cc1 ZINC000151329044 551411571 /nfs/dbraw/zinc/41/15/71/551411571.db2.gz WHRWLXVHXPBQGQ-XJKSGUPXSA-N 1 0 388.293 2.789 10 0 GFAERO C[C@@H](Cc1ccc(Br)cc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000158692728 551555071 /nfs/dbraw/zinc/55/50/71/551555071.db2.gz DPVLXTNSHIRCEZ-WMLDXEAASA-N 1 0 383.330 2.591 10 0 GFAERO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccc(Br)cc1F ZINC000161993314 551601783 /nfs/dbraw/zinc/60/17/83/551601783.db2.gz OAENXCDSWHGJAS-LBPRGKRZSA-N 1 0 381.311 2.843 10 0 GFAERO C[NH+](C)[C@H]1CCN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000170834069 551641132 /nfs/dbraw/zinc/64/11/32/551641132.db2.gz QFZKJIXSRPSQHR-PBHICJAKSA-N 1 0 395.345 2.621 10 0 GFAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(I)cc2Cl)C1 ZINC000170868702 551641920 /nfs/dbraw/zinc/64/19/20/551641920.db2.gz YQBRNVKVCLTGEX-SNVBAGLBSA-N 1 0 378.641 2.721 10 0 GFAERO O=C(CC[N@@H+]1CCC[C@@H](n2cncn2)C1)Nc1ccccc1Br ZINC000171526491 551657723 /nfs/dbraw/zinc/65/77/23/551657723.db2.gz PNJVBUXZMOQMQG-CYBMUJFWSA-N 1 0 378.274 2.706 10 0 GFAERO Brc1ccc(Cc2nc(CN3CC[N@@H+]4CCC[C@@H]4C3)no2)cc1 ZINC000171884164 551666199 /nfs/dbraw/zinc/66/61/99/551666199.db2.gz INAWSLVULDKPBD-OAHLLOKOSA-N 1 0 377.286 2.703 10 0 GFAERO CC(C)[N@H+]1C[C@H](NS(=O)(=O)c2ccc(F)cc2Br)[C@@H](C)C1 ZINC000173883709 552095109 /nfs/dbraw/zinc/09/51/09/552095109.db2.gz MEXISAVLXHBZNW-GWCFXTLKSA-N 1 0 379.295 2.595 10 0 GFAERO C[C@@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1N1CCOCC1 ZINC000177229025 552151896 /nfs/dbraw/zinc/15/18/96/552151896.db2.gz LUAYLAOOPGJKMX-DYVFJYSZSA-N 1 0 386.323 2.975 10 0 GFAERO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000178886835 552178719 /nfs/dbraw/zinc/17/87/19/552178719.db2.gz FFZCWMHMHDAVSZ-HNNXBMFYSA-N 1 0 375.270 2.555 10 0 GFAERO C[N@H+](C[C@H](O)COCc1ccccc1)[C@H](CO)c1cccc(Br)c1 ZINC000179741452 552201785 /nfs/dbraw/zinc/20/17/85/552201785.db2.gz RSTFMJDOMVCJQQ-RBUKOAKNSA-N 1 0 394.309 2.992 10 0 GFAERO CC[C@H](O)C[NH+]1CCN(CCCc2ccc(Br)cc2OC)CC1 ZINC000181922817 552270951 /nfs/dbraw/zinc/27/09/51/552270951.db2.gz QHDUBACGASZIJQ-KRWDZBQOSA-N 1 0 385.346 2.779 10 0 GFAERO COc1c(Br)cccc1CN1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000186945320 552402405 /nfs/dbraw/zinc/40/24/05/552402405.db2.gz VHSFQVIHCCPGLL-UHFFFAOYSA-N 1 0 393.329 2.899 10 0 GFAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188743784 552454070 /nfs/dbraw/zinc/45/40/70/552454070.db2.gz GDGVOEFZBDSFRS-YJBOKZPZSA-N 1 0 383.330 2.926 10 0 GFAERO Cc1cc(F)c(Br)cc1NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000190884509 552512339 /nfs/dbraw/zinc/51/23/39/552512339.db2.gz LVBQSKBSMCEVSA-GFCCVEGCSA-N 1 0 388.281 2.865 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000192070064 552549169 /nfs/dbraw/zinc/54/91/69/552549169.db2.gz OJTJWQAAEOOYNX-NSHDSACASA-N 1 0 388.295 2.883 10 0 GFAERO Cc1ccc([C@@H](CNC(=O)N2CCSC[C@H](C)C2)N2CCOCC2)s1 ZINC000192385595 552561302 /nfs/dbraw/zinc/56/13/02/552561302.db2.gz PEZRHYRVRXXFDX-GDBMZVCRSA-N 1 0 383.583 2.824 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000194640179 553025804 /nfs/dbraw/zinc/02/58/04/553025804.db2.gz DUWRMSVUNBVTBM-LBPRGKRZSA-N 1 0 379.913 2.885 10 0 GFAERO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc(Cl)c(I)c1 ZINC000237957245 553084727 /nfs/dbraw/zinc/08/47/27/553084727.db2.gz MWOQWNXBPJFWSB-SNVBAGLBSA-N 1 0 378.641 2.898 10 0 GFAERO Cc1sc(Br)cc1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000245888692 553099180 /nfs/dbraw/zinc/09/91/80/553099180.db2.gz YTYLEGQOZPKNAK-KOLCDFICSA-N 1 0 379.345 2.676 10 0 GFAERO Ic1ccc2ncnc(N3CC[N@@H+]4CCCC[C@H]4C3)c2c1 ZINC000246873476 553114298 /nfs/dbraw/zinc/11/42/98/553114298.db2.gz GFAAUKYNZQVICD-ZDUSSCGKSA-N 1 0 394.260 2.909 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(I)c1 ZINC000246996007 553117396 /nfs/dbraw/zinc/11/73/96/553117396.db2.gz PPAKHIDZWGSVSD-CABCVRRESA-N 1 0 384.261 2.990 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(I)cc1 ZINC000247290408 553120801 /nfs/dbraw/zinc/12/08/01/553120801.db2.gz GWLUXYZYVUGOIY-RISCZKNCSA-N 1 0 385.249 2.992 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000247502266 553122494 /nfs/dbraw/zinc/12/24/94/553122494.db2.gz VDNBEVNZYDEWNO-CJNGLKHVSA-N 1 0 389.297 2.944 10 0 GFAERO Cc1ccc(Br)c(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000247767307 553125071 /nfs/dbraw/zinc/12/50/71/553125071.db2.gz STYFPMMAPDFZLP-OCCSQVGLSA-N 1 0 375.332 2.765 10 0 GFAERO CC[N@H+](CCO)CCNC(=O)[C@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000248638210 553132491 /nfs/dbraw/zinc/13/24/91/553132491.db2.gz LYXQNLPDONIUPT-RDJZCZTQSA-N 1 0 389.323 2.892 10 0 GFAERO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc4cc(Br)ccc4c3)C[C@H]12 ZINC000249555117 553144195 /nfs/dbraw/zinc/14/41/95/553144195.db2.gz LTIULFUKKMMNLF-XOKHGSTOSA-N 1 0 395.322 2.960 10 0 GFAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000262075336 553165276 /nfs/dbraw/zinc/16/52/76/553165276.db2.gz BYSJRFJHERDFFS-YJBOKZPZSA-N 1 0 376.909 2.942 10 0 GFAERO CC[N@H+](C)[C@@H]1CCN(c2ncnc3ccc(I)cc32)C1 ZINC000302614340 563426948 /nfs/dbraw/zinc/42/69/48/563426948.db2.gz BIQQCEFOLGURIX-GFCCVEGCSA-N 1 0 382.249 2.765 10 0 GFAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000290107952 563698580 /nfs/dbraw/zinc/69/85/80/563698580.db2.gz KVLGAQPWUDMQAS-PRHODGIISA-N 1 0 376.092 2.968 10 0 GFAERO C[C@@H](C(=O)NCC[NH+]1CCCCC1)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944800 570299328 /nfs/dbraw/zinc/29/93/28/570299328.db2.gz ORHYPDQLQUMQOU-ZDUSSCGKSA-N 1 0 396.413 2.578 10 0 GFAERO CC[NH+]1CCN(c2nc3ccc(C(=O)c4ccccc4)cc3n3cnnc23)CC1 ZINC000004885806 570355233 /nfs/dbraw/zinc/35/52/33/570355233.db2.gz IPIXYMVPNJCNTQ-UHFFFAOYSA-N 1 0 386.459 2.650 10 0 GFAERO COc1cc(CNCc2csc(C)n2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000012373529 570413695 /nfs/dbraw/zinc/41/36/95/570413695.db2.gz BVLIVHLOVCBMHT-GOSISDBHSA-N 1 0 391.537 2.585 10 0 GFAERO Cc1cc(C)c(C(=O)N2CCC(CC(=O)NCC[N@H+]3CCCC[C@H]3C)CC2)[nH]1 ZINC000033024358 570653205 /nfs/dbraw/zinc/65/32/05/570653205.db2.gz HTDVMIWYZXCGDB-GOSISDBHSA-N 1 0 388.556 2.864 10 0 GFAERO CC(C)[NH+]1CCC(N[C@H]2CCCc3nc(N4CCC(CO)CC4)ncc32)CC1 ZINC000012432158 570674948 /nfs/dbraw/zinc/67/49/48/570674948.db2.gz LWBBJVHFZOAUCH-FQEVSTJZSA-N 1 0 387.572 2.525 10 0 GFAERO C[C@@H]([NH2+]Cc1cn(CCC(N)=O)c2ccccc12)c1ccc(-n2cncn2)cc1 ZINC000055393426 570694425 /nfs/dbraw/zinc/69/44/25/570694425.db2.gz ZMTXDEAZFDRAIW-MRXNPFEDSA-N 1 0 388.475 2.948 10 0 GFAERO O=C(NCC[NH+]1CCCC1)[C@H]1CN(C(=O)c2cccs2)CC12CCCCC2 ZINC000065266289 570769506 /nfs/dbraw/zinc/76/95/06/570769506.db2.gz QKSYSLDQLBWGOQ-QGZVFWFLSA-N 1 0 389.565 2.983 10 0 GFAERO CCc1cc(OCC(=O)NCC[NH+](C)C)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000046017120 571011873 /nfs/dbraw/zinc/01/18/73/571011873.db2.gz DTHAFLRMEHNFOP-UHFFFAOYSA-N 1 0 395.507 2.656 10 0 GFAERO O=S(=O)(NC[C@@H]1CC[NH2+]C1)c1c(Cl)cc(Br)cc1Cl ZINC000133743401 654972773 /nfs/dbraw/zinc/97/27/73/654972773.db2.gz CMMYMIVTKDVNGW-SSDOTTSWSA-N 1 0 388.114 2.644 10 0 GFAERO CCC[C@H](C(=O)Nc1ncn(Cc2cccc(Br)c2)n1)[NH+](C)C ZINC000094069937 655026793 /nfs/dbraw/zinc/02/67/93/655026793.db2.gz GILHGYWRFIKEMQ-CQSZACIVSA-N 1 0 380.290 2.758 10 0 GFAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cccc(I)c1 ZINC000096658522 655032032 /nfs/dbraw/zinc/03/20/32/655032032.db2.gz RZOLZEXOLSALCQ-IUODEOHRSA-N 1 0 384.261 2.990 10 0 GFAERO CCOCCN1CCN(S(=O)(=O)c2ccc(Cl)nc2Cl)C[C@H]1CC ZINC000172030334 655155935 /nfs/dbraw/zinc/15/59/35/655155935.db2.gz ZMLWODYVCMRKNU-GFCCVEGCSA-N 1 0 396.340 2.510 10 0 GFAERO O[C@@H](CNCc1nc(-c2cccc(Br)c2)c[nH]1)C[NH+]1CCCCC1 ZINC000111383595 655172172 /nfs/dbraw/zinc/17/21/72/655172172.db2.gz APUBXUZLGAUDLD-INIZCTEOSA-N 1 0 393.329 2.776 10 0 GFAERO Cn1cc([C@H]2CC[N@H+](Cn3ccc(=O)c4cccc(Br)c43)C2)cn1 ZINC000116259573 655247167 /nfs/dbraw/zinc/24/71/67/655247167.db2.gz RLOCJAIIOUSGCI-ZDUSSCGKSA-N 1 0 387.281 2.945 10 0 GFAERO OCC[N@H+](CCOCC(F)(F)F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000179611336 655315229 /nfs/dbraw/zinc/31/52/29/655315229.db2.gz HTXURRXYDMTFNI-AWEZNQCLSA-N 1 0 380.794 2.706 10 0 GFAERO O=C(/C=C\c1ccc(I)o1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000255557781 655439501 /nfs/dbraw/zinc/43/95/01/655439501.db2.gz GQMDBFXLBKZHEJ-HWPRWLFBSA-N 1 0 386.233 2.594 10 0 GFAERO CC[NH+](CC)CCNC(=O)[C@@H](C)n1nc(C)c2sc3ccccc3c2c1=O ZINC000006799108 206678234 /nfs/dbraw/zinc/67/82/34/206678234.db2.gz GLCVJKMAZHGXMA-CQSZACIVSA-N 1 0 386.521 2.939 10 0 GFAERO C[NH+](C)C1(CNC(=O)[C@H]2CCC(=O)N(Cc3cccc(F)c3)C2)CCCCC1 ZINC000012057451 206851540 /nfs/dbraw/zinc/85/15/40/206851540.db2.gz QMHDMCYNVQLRIF-SFHVURJKSA-N 1 0 389.515 2.945 10 0 GFAERO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]CCc1ccccc1OC)C2 ZINC000014744487 207027337 /nfs/dbraw/zinc/02/73/37/207027337.db2.gz GNMFQJYMUNPMKX-SFHVURJKSA-N 1 0 396.535 2.837 10 0 GFAERO CCn1nc(C(=O)N(C)Cc2ccoc2)c2c1CC[C@@H]([NH+]1CCSCC1)C2 ZINC000014733790 207028284 /nfs/dbraw/zinc/02/82/84/207028284.db2.gz AMMSWFUVRBZTBW-MRXNPFEDSA-N 1 0 388.537 2.674 10 0 GFAERO O=C1CC2(CN1Cc1ccc(Cl)cc1)CC[NH+](C[C@@H]1COCCO1)CC2 ZINC000077485505 208047458 /nfs/dbraw/zinc/04/74/58/208047458.db2.gz YFLSWPPJXQWQMU-GOSISDBHSA-N 1 0 378.900 2.570 10 0 GFAERO CCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2)CN1C1Cc2ccccc2C1 ZINC000299758215 209081912 /nfs/dbraw/zinc/08/19/12/209081912.db2.gz MUAKEQSTQKYYTK-OFNKIYASSA-N 1 0 393.531 2.531 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000041914652 551136863 /nfs/dbraw/zinc/13/68/63/551136863.db2.gz GHBPXACUVAIXKC-LBPRGKRZSA-N 1 0 380.539 2.846 10 0 GFAERO C[C@@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000049172776 551157828 /nfs/dbraw/zinc/15/78/28/551157828.db2.gz BQNDPMIBVPQZEU-CJNGLKHVSA-N 1 0 384.318 2.656 10 0 GFAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000121839271 551243676 /nfs/dbraw/zinc/24/36/76/551243676.db2.gz DQCCLASOACTHRI-GFCCVEGCSA-N 1 0 388.281 2.619 10 0 GFAERO CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cc(O)ccc2Br)ncn1 ZINC000127112775 551336827 /nfs/dbraw/zinc/33/68/27/551336827.db2.gz LVUQYZZHSFHJCB-ZDUSSCGKSA-N 1 0 392.301 2.745 10 0 GFAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000135335220 551387183 /nfs/dbraw/zinc/38/71/83/551387183.db2.gz NWLFRSIOGCHUQW-IAGOWNOFSA-N 1 0 380.330 2.749 10 0 GFAERO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000152216965 551428535 /nfs/dbraw/zinc/42/85/35/551428535.db2.gz ZIMVDQDYUAVUPU-OCCSQVGLSA-N 1 0 387.293 2.556 10 0 GFAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000157183731 551534225 /nfs/dbraw/zinc/53/42/25/551534225.db2.gz CFOXHIMAANAYLE-ZDUSSCGKSA-N 1 0 394.313 2.997 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000172119699 551671071 /nfs/dbraw/zinc/67/10/71/551671071.db2.gz YKWPRLRXFYDJEC-ZDUSSCGKSA-N 1 0 395.276 2.988 10 0 GFAERO C[C@@H]([NH3+])CCNS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000178914284 552179359 /nfs/dbraw/zinc/17/93/59/552179359.db2.gz IHDOKJWTRLFEBP-SECBINFHSA-N 1 0 390.328 2.588 10 0 GFAERO COc1ccccc1[C@H]([NH2+]CCCNS(C)(=O)=O)c1ccccc1Cl ZINC000180035309 552210166 /nfs/dbraw/zinc/21/01/66/552210166.db2.gz SIXSWWSCOMETJF-GOSISDBHSA-N 1 0 382.913 2.967 10 0 GFAERO CC[C@H](C)[C@@H](NC(=O)C[NH2+][C@@H](C)c1cccc(Br)c1)C(=O)OC ZINC000182574184 552287881 /nfs/dbraw/zinc/28/78/81/552287881.db2.gz YSKOHPAOOQPXAR-MQIPJXDCSA-N 1 0 385.302 2.804 10 0 GFAERO Cc1ccc(CCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(Br)c1 ZINC000185110879 552354498 /nfs/dbraw/zinc/35/44/98/552354498.db2.gz AEWVLLVVECQRKK-MRXNPFEDSA-N 1 0 383.330 2.653 10 0 GFAERO CN(C)c1cc[nH+]cc1CNCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000185211078 552357598 /nfs/dbraw/zinc/35/75/98/552357598.db2.gz SCEOQQQMPOOWEQ-UHFFFAOYSA-N 1 0 387.285 2.985 10 0 GFAERO Cc1cc(C2CC[NH+](C[C@H](O)CN3CCCC3=O)CC2)ccc1Br ZINC000188197048 552438620 /nfs/dbraw/zinc/43/86/20/552438620.db2.gz QLMVIXBXXWHHJD-KRWDZBQOSA-N 1 0 395.341 2.920 10 0 GFAERO CC[C@H]1CN(CCOc2cc(F)cc(Br)c2)CC[N@@H+]1C[C@@H](C)O ZINC000188956088 552458962 /nfs/dbraw/zinc/45/89/62/552458962.db2.gz IWGWYQZOZWDZJB-CJNGLKHVSA-N 1 0 389.309 2.744 10 0 GFAERO Cc1ccc([C@H](CNC(=O)N2CCSC[C@@H](C)C2)N2CCOCC2)s1 ZINC000192385610 552561439 /nfs/dbraw/zinc/56/14/39/552561439.db2.gz PEZRHYRVRXXFDX-HOCLYGCPSA-N 1 0 383.583 2.824 10 0 GFAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000192932036 552978543 /nfs/dbraw/zinc/97/85/43/552978543.db2.gz ISNKAYFFZBTIDW-AWEZNQCLSA-N 1 0 383.514 2.733 10 0 GFAERO [NH3+]C[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000193245868 552987326 /nfs/dbraw/zinc/98/73/26/552987326.db2.gz KHOUHPVBEYFCGV-MRVPVSSYSA-N 1 0 385.686 2.744 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000194150505 553013496 /nfs/dbraw/zinc/01/34/96/553013496.db2.gz UIRFMFUPTLVSEV-NSHDSACASA-N 1 0 377.794 2.898 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000246928490 553115951 /nfs/dbraw/zinc/11/59/51/553115951.db2.gz HAHUJDZILHWBIZ-IUODEOHRSA-N 1 0 375.332 2.597 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCn1c(=S)[nH]nc1-c1cccs1 ZINC000247246973 553120204 /nfs/dbraw/zinc/12/02/04/553120204.db2.gz NJUCVQRFULTYCH-STQMWFEESA-N 1 0 377.539 2.754 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000247348609 553121320 /nfs/dbraw/zinc/12/13/20/553121320.db2.gz NXNKOFPEKDFGLF-IUODEOHRSA-N 1 0 397.313 2.608 10 0 GFAERO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247768633 553125303 /nfs/dbraw/zinc/12/53/03/553125303.db2.gz OMPKHVVIKPECDP-KGLIPLIRSA-N 1 0 385.295 2.737 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccc(I)cc1 ZINC000249019682 553137874 /nfs/dbraw/zinc/13/78/74/553137874.db2.gz KOWMCWDCWHHPKB-WFASDCNBSA-N 1 0 384.261 2.529 10 0 GFAERO Brc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)C1 ZINC000261984276 553164029 /nfs/dbraw/zinc/16/40/29/553164029.db2.gz RYSFKQLZPRZLQZ-IDCNUPLLSA-N 1 0 394.357 2.775 10 0 GFAERO [NH3+]C[C@@H]1CN(c2ccc(I)cn2)C[C@H]1c1ccccc1 ZINC000420247340 563261375 /nfs/dbraw/zinc/26/13/75/563261375.db2.gz UTJAKDITBGXPMC-HIFRSBDPSA-N 1 0 379.245 2.865 10 0 GFAERO C[C@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@H]1C[NH3+] ZINC000638902601 565216844 /nfs/dbraw/zinc/21/68/44/565216844.db2.gz LFTKALDZYWYTRO-DTWKUNHWSA-N 1 0 376.092 2.878 10 0 GFAERO COC(=O)c1cc2c(cc1F)[C@@H](NC(=O)OC(C)(C)C)C[C@@]1(CC[NH2+]C1)O2 ZINC000725259912 570306968 /nfs/dbraw/zinc/30/69/68/570306968.db2.gz KJCJMDBPFCHHAL-IFXJQAMLSA-N 1 0 380.416 2.693 10 0 GFAERO CC(=O)NCc1nnc2n1CC[N@@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000012190182 570621753 /nfs/dbraw/zinc/62/17/53/570621753.db2.gz BFTCTJHKUUGTBB-UHFFFAOYSA-N 1 0 387.487 2.544 10 0 GFAERO Nc1ccc2c(c1)C=[NH+]CCN2C(=O)c1ccc(I)cc1 ZINC000073642228 570664753 /nfs/dbraw/zinc/66/47/53/570664753.db2.gz HBMDSWBZRILZPQ-UHFFFAOYSA-N 1 0 391.212 2.953 10 0 GFAERO Cn1ncc2cc(NC(=O)c3ccc(CN4CC[C@@H]([NH+](C)C)C4)cc3)ccc21 ZINC000065457086 570769695 /nfs/dbraw/zinc/76/96/95/570769695.db2.gz UUFJWNMWUYMRPO-HXUWFJFHSA-N 1 0 377.492 2.962 10 0 GFAERO COCCN(C)c1cnn([C@@H]2CCC[N@H+](Cc3cccc(C)c3C)C2)c(=O)c1 ZINC000583618416 570800630 /nfs/dbraw/zinc/80/06/30/570800630.db2.gz UNIAYYMTJLXDPU-HXUWFJFHSA-N 1 0 384.524 2.780 10 0 GFAERO Cc1cc2nc(C)c(=O)n(CC(=O)NCCC[N@H+]3CCC[C@@H](C)C3)c2cc1C ZINC000033254821 570862047 /nfs/dbraw/zinc/86/20/47/570862047.db2.gz BLJQVSHKJGLTCH-OAHLLOKOSA-N 1 0 384.524 2.560 10 0 GFAERO CC[C@@H]1CN(CCC(=O)Nc2cccc(Br)c2)CC[N@@H+]1CCOC ZINC000124603797 654779224 /nfs/dbraw/zinc/77/92/24/654779224.db2.gz DNPYGQBFNHSOES-QGZVFWFLSA-N 1 0 398.345 2.820 10 0 GFAERO Cc1cccc(Nc2nn(CN3CCO[C@@H](C[NH+](C)C)C3)c(=S)s2)c1 ZINC000153005177 655063791 /nfs/dbraw/zinc/06/37/91/655063791.db2.gz VVOXOVBCKXFMHV-HNNXBMFYSA-N 1 0 379.555 2.946 10 0 GFAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000105471394 655093312 /nfs/dbraw/zinc/09/33/12/655093312.db2.gz GZVMOSVCFRZWMP-QGZVFWFLSA-N 1 0 393.329 2.672 10 0 GFAERO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106174385 655104515 /nfs/dbraw/zinc/10/45/15/655104515.db2.gz HVSGRTFLECPYML-KGLIPLIRSA-N 1 0 392.301 2.780 10 0 GFAERO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000106184361 655104714 /nfs/dbraw/zinc/10/47/14/655104714.db2.gz ZRXSEXDTTTVXFJ-KRWDZBQOSA-N 1 0 394.313 2.798 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000113222430 655205571 /nfs/dbraw/zinc/20/55/71/655205571.db2.gz OEDCUHXOROVKQE-CXAGYDPISA-N 1 0 389.297 2.944 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000113224057 655205687 /nfs/dbraw/zinc/20/56/87/655205687.db2.gz VDNBEVNZYDEWNO-XJKSGUPXSA-N 1 0 389.297 2.944 10 0 GFAERO Cc1c(Br)cccc1C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176445103 655245672 /nfs/dbraw/zinc/24/56/72/655245672.db2.gz HUUNSKPMZBPQEF-CYBMUJFWSA-N 1 0 383.330 2.922 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)CCCOc2cccc(Cl)c2Cl)CCO1 ZINC000116795300 655253922 /nfs/dbraw/zinc/25/39/22/655253922.db2.gz ILQJFDKLERBCML-CYBMUJFWSA-N 1 0 375.296 2.941 10 0 GFAERO Cc1cc(OC(F)F)c(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)s1 ZINC000176887547 655258916 /nfs/dbraw/zinc/25/89/16/655258916.db2.gz LPGOKTQLOPPGGR-LLVKDONJSA-N 1 0 376.469 2.823 10 0 GFAERO COc1cc(/C=C/C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc(Br)c1O ZINC000248417466 655432382 /nfs/dbraw/zinc/43/23/82/655432382.db2.gz REQUTRXVJQXZQM-GSKXSAQWSA-N 1 0 395.297 2.872 10 0 GFAERO O=S(=O)(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Br)c1Cl ZINC000262064830 655443706 /nfs/dbraw/zinc/44/37/06/655443706.db2.gz OJCSBOZYTLYORN-ULKQDVFKSA-N 1 0 379.707 2.664 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+]Cc2cc(Br)cs2)C1 ZINC000702763048 655521768 /nfs/dbraw/zinc/52/17/68/655521768.db2.gz LMTKUDGSPAKWMJ-MFKMUULPSA-N 1 0 391.331 2.828 10 0 GFAERO C[C@@H](C(=O)N1CCC([NH+]2CCC2)CC1)N1C(=S)N=NC1c1cccs1 ZINC000912879511 664307245 /nfs/dbraw/zinc/30/72/45/664307245.db2.gz FESVSZSSGWQFSB-LBPRGKRZSA-N 1 0 377.539 2.553 10 0 GFAERO CC[C@H](O)C[NH+]1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000118856746 677395702 /nfs/dbraw/zinc/39/57/02/677395702.db2.gz FGKLGWLIGIIYNM-ZFWWWQNUSA-N 1 0 388.339 2.559 10 0 GFAERO O=c1cc(COc2ccccc2)nc(-c2cccc(C[N@H+]3CC[C@H](O)C3)c2)[nH]1 ZINC000023368180 206252430 /nfs/dbraw/zinc/25/24/30/206252430.db2.gz BATSYTDNJWYWSQ-IBGZPJMESA-N 1 0 377.444 2.583 10 0 GFAERO CC[NH+](CC)CCOC(=O)[C@@](C)(O)c1nn(-c2ccccc2)c2c1CCCC2 ZINC000003620308 206292892 /nfs/dbraw/zinc/29/28/92/206292892.db2.gz HDFVKMLCTJYZAB-QFIPXVFZSA-N 1 0 385.508 2.844 10 0 GFAERO CC1=C(C(=O)OCC[NH3+])[C@H](c2ccccc2C(F)(F)F)C([N+](=O)[O-])=C(C)N1 ZINC000031541816 206303501 /nfs/dbraw/zinc/30/35/01/206303501.db2.gz RCJFYGYHESLEHK-AWEZNQCLSA-N 1 0 385.342 2.676 10 0 GFAERO CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@H]([NH2+]Cc1cccnc1)CC2 ZINC000014742024 207027365 /nfs/dbraw/zinc/02/73/65/207027365.db2.gz SYCLFSHMNUYVDB-LJQANCHMSA-N 1 0 389.503 2.734 10 0 GFAERO Cc1csc(C[NH2+][C@H]2CCc3c(c(C(=O)N4CCCCCC4)nn3C)C2)n1 ZINC000014733625 207027936 /nfs/dbraw/zinc/02/79/36/207027936.db2.gz VDBOOSWJWWHNDH-HNNXBMFYSA-N 1 0 387.553 2.848 10 0 GFAERO Cc1cc2cc(CNC(=O)C[C@@H]3C(=O)NCC[N@H+]3CC3CCCCC3)ccc2[nH]1 ZINC000020911801 207219615 /nfs/dbraw/zinc/21/96/15/207219615.db2.gz QHWDZGQBRYSWSS-OAQYLSRUSA-N 1 0 396.535 2.863 10 0 GFAERO O=C(CN1c2ccccc2-n2cccc2SCC1=O)NCCC[NH+]1CCCC1 ZINC000021088695 207226234 /nfs/dbraw/zinc/22/62/34/207226234.db2.gz APUWHSXDCPUASK-UHFFFAOYSA-N 1 0 398.532 2.518 10 0 GFAERO CC(C)(C)OC(=O)N1CC2(C1)CCN(C(=O)OCc1ccccc1)C[C@H]2[NH3+] ZINC000091302725 208114278 /nfs/dbraw/zinc/11/42/78/208114278.db2.gz XTLGQMUXKZSCLN-MRXNPFEDSA-N 1 0 375.469 2.593 10 0 GFAERO [NH3+][C@H]1CCCN(c2nc3ccsc3c(=O)n2Cc2cc(F)cc(F)c2)C1 ZINC000057344534 527401968 /nfs/dbraw/zinc/40/19/68/527401968.db2.gz DAMNLMOKMKNACY-AWEZNQCLSA-N 1 0 376.432 2.712 10 0 GFAERO O=c1cc(C(F)(F)F)nc(NCCC[NH+]2CCN(c3ccccc3F)CC2)[nH]1 ZINC000057342530 527473973 /nfs/dbraw/zinc/47/39/73/527473973.db2.gz PQVRKAYCRDLSOA-UHFFFAOYSA-N 1 0 399.392 2.552 10 0 GFAERO CC(C)[C@H](CO)[NH2+]C[C@H](O)COc1ccccc1C(=O)CCc1ccccc1 ZINC000503973390 529025084 /nfs/dbraw/zinc/02/50/84/529025084.db2.gz GPQWLJZZYQYZJV-FPOVZHCZSA-N 1 0 385.504 2.848 10 0 GFAERO O=C(NCc1ccc(Cl)s1)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000049174369 551157948 /nfs/dbraw/zinc/15/79/48/551157948.db2.gz ZWJFMTKVIYAGHG-HNNXBMFYSA-N 1 0 379.913 2.620 10 0 GFAERO Cn1cc([C@@H]2CC[N@H+](Cc3cc4c(cc3Br)OCCO4)C2)cn1 ZINC000116313335 551211662 /nfs/dbraw/zinc/21/16/62/551211662.db2.gz LOEXWIXQKCMICZ-GFCCVEGCSA-N 1 0 378.270 2.943 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)Cc1ccc(Br)cc1 ZINC000121197518 551229637 /nfs/dbraw/zinc/22/96/37/551229637.db2.gz XRYLTACMJNNBHJ-OAHLLOKOSA-N 1 0 375.332 2.695 10 0 GFAERO C[C@H](Cc1cccc(Br)c1)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000139275988 551391888 /nfs/dbraw/zinc/39/18/88/551391888.db2.gz YXKWPQRJBVANQI-RHSMWYFYSA-N 1 0 398.345 2.526 10 0 GFAERO CC[C@@H]1CN(C(=O)[C@@H](C)Cc2ccc(Br)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000156356033 551521154 /nfs/dbraw/zinc/52/11/54/551521154.db2.gz ABDAIOCIJLVJJG-HDMKZQKVSA-N 1 0 397.357 2.931 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000156456891 551522738 /nfs/dbraw/zinc/52/27/38/551522738.db2.gz VMKPKLFZUZMDBL-LBPRGKRZSA-N 1 0 384.523 2.697 10 0 GFAERO COCC[N@@H+]1CCN(Cc2cc(OC)c(OC)cc2Br)C[C@H]1C ZINC000170939443 551643604 /nfs/dbraw/zinc/64/36/04/551643604.db2.gz NKBYPFZMCSFTFI-CYBMUJFWSA-N 1 0 387.318 2.619 10 0 GFAERO O=C(NCC1(c2ccccc2Br)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172663653 551684584 /nfs/dbraw/zinc/68/45/84/551684584.db2.gz QJBCBDFETHLRFF-CQSZACIVSA-N 1 0 378.314 2.970 10 0 GFAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ncc(-c3cccc(Br)c3)o2)C[C@@H]1C ZINC000173675845 552090723 /nfs/dbraw/zinc/09/07/23/552090723.db2.gz XJKNVXAVDRCLDX-UONOGXRCSA-N 1 0 394.313 2.991 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2cc(F)ccc2SCC(F)F)CCO1 ZINC000175378725 552120776 /nfs/dbraw/zinc/12/07/76/552120776.db2.gz XMWNFBPSICJUDT-LBPRGKRZSA-N 1 0 377.432 2.977 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(F)cc1I ZINC000177009592 552149591 /nfs/dbraw/zinc/14/95/91/552149591.db2.gz KRWATGZISXXYRO-LBPRGKRZSA-N 1 0 390.240 2.987 10 0 GFAERO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178886827 552178788 /nfs/dbraw/zinc/17/87/88/552178788.db2.gz FFZCWMHMHDAVSZ-OAHLLOKOSA-N 1 0 375.270 2.555 10 0 GFAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C(N)=O)c2ccc(Br)cc2)C12CCOCC2 ZINC000185004306 552350913 /nfs/dbraw/zinc/35/09/13/552350913.db2.gz SUUFJQHJMKAUJB-XHSDSOJGSA-N 1 0 397.313 2.539 10 0 GFAERO Fc1cc(Br)cc(OCC[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000189012439 552460916 /nfs/dbraw/zinc/46/09/16/552460916.db2.gz ZGLPOGGGEGDODD-CYBMUJFWSA-N 1 0 383.265 2.971 10 0 GFAERO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000192091461 552550373 /nfs/dbraw/zinc/55/03/73/552550373.db2.gz RBKXRNPQGVBHQF-YGRLFVJLSA-N 1 0 388.295 2.785 10 0 GFAERO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2ncc(Br)cn2)CC1 ZINC000192241062 552557407 /nfs/dbraw/zinc/55/74/07/552557407.db2.gz XGXGNXHPNGQFSN-UHFFFAOYSA-N 1 0 399.333 2.872 10 0 GFAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000192932522 552978555 /nfs/dbraw/zinc/97/85/55/552978555.db2.gz QSKHIDYIKPUTSX-AWEZNQCLSA-N 1 0 383.514 2.733 10 0 GFAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000192939737 552978676 /nfs/dbraw/zinc/97/86/76/552978676.db2.gz HZVFFSICQMWHTP-MRXNPFEDSA-N 1 0 379.913 2.878 10 0 GFAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000193269267 552988612 /nfs/dbraw/zinc/98/86/12/552988612.db2.gz QMHIYHACDGQWRQ-CQSZACIVSA-N 1 0 399.329 2.855 10 0 GFAERO [NH3+]C[C@H]1CCCN1S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000193297860 552989576 /nfs/dbraw/zinc/98/95/76/552989576.db2.gz ZUMWUFHLIOBJHU-SSDOTTSWSA-N 1 0 388.114 2.868 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000194149951 553013506 /nfs/dbraw/zinc/01/35/06/553013506.db2.gz BROCRJDKIMIVIT-NSHDSACASA-N 1 0 377.794 2.898 10 0 GFAERO CN([C@H]1CCC[NH2+]CC1)S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000226464339 553061331 /nfs/dbraw/zinc/06/13/31/553061331.db2.gz SSOCDODKFCUNKC-JTQLQIEISA-N 1 0 381.723 2.865 10 0 GFAERO CC[C@@H]1CN(C(=O)Nc2nnc(-c3ccsc3)s2)CC[N@@H+]1C[C@H](C)O ZINC000245617375 553094313 /nfs/dbraw/zinc/09/43/13/553094313.db2.gz VRBNARZZGFRFLR-WCQYABFASA-N 1 0 381.527 2.576 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(CC2=Cc3cc(Br)ccc3OC2)C[C@H]1C ZINC000245806944 553097902 /nfs/dbraw/zinc/09/79/02/553097902.db2.gz YRNHTSZPLPNSEL-KGLIPLIRSA-N 1 0 381.314 2.612 10 0 GFAERO O=S(=O)(c1cc(Br)ccc1Cl)N1CCN2CCCC[C@H]2C1 ZINC000246193384 553103708 /nfs/dbraw/zinc/10/37/08/553103708.db2.gz JNPLKBUDVJVLLQ-LBPRGKRZSA-N 1 0 393.734 2.961 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000246404641 553107326 /nfs/dbraw/zinc/10/73/26/553107326.db2.gz LPRACSJLGDZCKC-VXGBXAGGSA-N 1 0 378.523 2.655 10 0 GFAERO Cc1cc(CCC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)ccc1Br ZINC000246437678 553107509 /nfs/dbraw/zinc/10/75/09/553107509.db2.gz LSLQAOBCPCDVJJ-CABCVRRESA-N 1 0 383.330 2.604 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)c2ccc(Cl)s2)CC1=O ZINC000246524632 553109357 /nfs/dbraw/zinc/10/93/57/553109357.db2.gz WAEPFISWEQWXRY-MGPQQGTHSA-N 1 0 383.945 2.912 10 0 GFAERO COc1ccc(CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1Br ZINC000247339615 553121200 /nfs/dbraw/zinc/12/12/00/553121200.db2.gz NLSSLUWVYLFPOC-IUODEOHRSA-N 1 0 384.318 2.986 10 0 GFAERO CCOCC[N@@H+]1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000247734258 553125214 /nfs/dbraw/zinc/12/52/14/553125214.db2.gz MNSVEHXPACIASW-GOEBONIOSA-N 1 0 391.339 2.776 10 0 GFAERO C[C@H]1CN([C@H](CNC(=O)N(C)Cc2cscn2)c2cccs2)CCO1 ZINC000248325644 553128131 /nfs/dbraw/zinc/12/81/31/553128131.db2.gz BIVOJUYMQRJJCA-DZGCQCFKSA-N 1 0 380.539 2.808 10 0 GFAERO CC[C@@H]1CN(Cc2nc3cc(Br)ccc3[nH]2)CC[N@@H+]1C[C@H](C)O ZINC000248393172 553128768 /nfs/dbraw/zinc/12/87/68/553128768.db2.gz GIKKNSHNCFKNBW-GXTWGEPZSA-N 1 0 381.318 2.602 10 0 GFAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3)C[C@H]12 ZINC000248588100 553131382 /nfs/dbraw/zinc/13/13/82/553131382.db2.gz GNZMLMUMODPLQR-NSLUBLRVSA-N 1 0 382.291 2.542 10 0 GFAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C(N)=O)c2cccc(Br)c2)C12CCOCC2 ZINC000248639552 553132649 /nfs/dbraw/zinc/13/26/49/553132649.db2.gz NAMLCDIAOGEACS-ARFHVFGLSA-N 1 0 397.313 2.539 10 0 GFAERO C[C@H]1C[N@H+](CCOc2cc(F)cc(Br)c2)C[C@H]1N1CCOCC1 ZINC000249276915 553141346 /nfs/dbraw/zinc/14/13/46/553141346.db2.gz MFUYKUBBSFGRBD-SUMWQHHRSA-N 1 0 387.293 2.620 10 0 GFAERO CC[C@@H]1CN(C[C@H](O)COc2c(Cl)cccc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000252352398 553149232 /nfs/dbraw/zinc/14/92/32/553149232.db2.gz BXGPBNURXREFAG-ZNMIVQPWSA-N 1 0 391.339 2.510 10 0 GFAERO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000261871103 553161879 /nfs/dbraw/zinc/16/18/79/553161879.db2.gz SHXFANZHFVYJCD-PBHICJAKSA-N 1 0 395.322 2.812 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C[C@@H](C1)[C@@H]2[NH3+] ZINC000238855618 570679842 /nfs/dbraw/zinc/67/98/42/570679842.db2.gz SGHUIAHMXYQPIE-VPLLLXJESA-N 1 0 389.496 2.886 10 0 GFAERO O=C(c1cccc(CC2CC[NH2+]CC2)c1)N1CCC(Nc2ncccn2)CC1 ZINC000072125289 570867522 /nfs/dbraw/zinc/86/75/22/570867522.db2.gz CWIHMTAPKHUOKL-UHFFFAOYSA-N 1 0 379.508 2.735 10 0 GFAERO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000025695677 654552584 /nfs/dbraw/zinc/55/25/84/654552584.db2.gz JTZXRRXPJAMWRY-CZUORRHYSA-N 1 0 383.897 2.834 10 0 GFAERO Cc1ccc(Br)c(S(=O)(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000127907260 654837117 /nfs/dbraw/zinc/83/71/17/654837117.db2.gz STYFPMMAPDFZLP-GXTWGEPZSA-N 1 0 375.332 2.765 10 0 GFAERO C[NH+](C)C[C@H]1CN(Cn2nc(-c3cccs3)n(C3CC3)c2=S)CCO1 ZINC000153007953 655063896 /nfs/dbraw/zinc/06/38/96/655063896.db2.gz WRBSUHMVMCVBIK-AWEZNQCLSA-N 1 0 379.555 2.697 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000113305233 655208036 /nfs/dbraw/zinc/20/80/36/655208036.db2.gz SQELTYXJXYDUAE-NXEZZACHSA-N 1 0 395.269 2.585 10 0 GFAERO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NCC[C@@H](C)[NH3+] ZINC000178657564 655307146 /nfs/dbraw/zinc/30/71/46/655307146.db2.gz WBAIBUJUDHSPGC-LLVKDONJSA-N 1 0 379.302 2.778 10 0 GFAERO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(N)=O)c1cccc(Br)c1 ZINC000182580996 655345409 /nfs/dbraw/zinc/34/54/09/655345409.db2.gz FWMVIJMHLAKVSY-LLVKDONJSA-N 1 0 376.254 2.837 10 0 GFAERO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000193290377 655409186 /nfs/dbraw/zinc/40/91/86/655409186.db2.gz XURLGUOCVKOCRH-CPCISQLKSA-N 1 0 385.686 2.647 10 0 GFAERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000248604309 655432836 /nfs/dbraw/zinc/43/28/36/655432836.db2.gz VCYIGRGMBXHKLS-NEPJUHHUSA-N 1 0 375.878 2.564 10 0 GFAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccc(I)cc1 ZINC000261734357 655442024 /nfs/dbraw/zinc/44/20/24/655442024.db2.gz YMOZNTIRQZHMSG-AVJIGQEQSA-N 1 0 384.261 2.927 10 0 GFAERO C[C@H](C(=O)N1CCC([NH+]2CCC2)CC1)N1C(=S)N=NC1c1cccs1 ZINC000912879510 664307310 /nfs/dbraw/zinc/30/73/10/664307310.db2.gz FESVSZSSGWQFSB-GFCCVEGCSA-N 1 0 377.539 2.553 10 0 GFAERO Cc1cccc(C(=O)N2C[C@H]3CC[N@@H+](C)C[C@@H]3C2)c1I ZINC000380761721 677406029 /nfs/dbraw/zinc/40/60/29/677406029.db2.gz PNLCFZBKLXXEQZ-CHWSQXEVSA-N 1 0 384.261 2.623 10 0 GFAERO [NH3+]CCN(CCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000096102682 209131842 /nfs/dbraw/zinc/13/18/42/209131842.db2.gz AKLVGIAIJZXVSH-UHFFFAOYSA-N 1 0 385.464 2.900 10 0 GFAERO CCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N1CC[NH+](CC)CC1 ZINC000226277990 206259400 /nfs/dbraw/zinc/25/94/00/206259400.db2.gz JPOGNXNYXGNLAO-UHFFFAOYSA-N 1 0 387.402 2.530 10 0 GFAERO Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([N@H+](C)CCc1ccccn1)C2 ZINC000014747432 207029845 /nfs/dbraw/zinc/02/98/45/207029845.db2.gz IEGBKFAEDQQNQL-IBGZPJMESA-N 1 0 395.551 2.863 10 0 GFAERO COc1ccc2nc3sc(C(=O)NCCCN4CC[NH+](C)CC4)cc3cc2c1 ZINC000020178812 207182427 /nfs/dbraw/zinc/18/24/27/207182427.db2.gz IMLCLBQIXDIDPM-UHFFFAOYSA-N 1 0 398.532 2.825 10 0 GFAERO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038050481 207263689 /nfs/dbraw/zinc/26/36/89/207263689.db2.gz GFZGLFGCPVWEDH-QWRGUYRKSA-N 1 0 397.722 2.659 10 0 GFAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000152387772 551431949 /nfs/dbraw/zinc/43/19/49/551431949.db2.gz KQFVUBNBWJFYDO-SJORKVTESA-N 1 0 398.345 2.902 10 0 GFAERO C[NH+](C)C[C@H]1CN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CCO1 ZINC000155290773 551496696 /nfs/dbraw/zinc/49/66/96/551496696.db2.gz WGVVJSQZUBFJKT-JTQLQIEISA-N 1 0 380.703 2.848 10 0 GFAERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000156115275 551514906 /nfs/dbraw/zinc/51/49/06/551514906.db2.gz AMAZLNMHLFUZDK-FRRDWIJNSA-N 1 0 399.333 2.636 10 0 GFAERO O=S(=O)(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)c2ccccc21 ZINC000158929593 551558608 /nfs/dbraw/zinc/55/86/08/551558608.db2.gz PUZQMKOOSYFLOI-AWEZNQCLSA-N 1 0 382.913 2.618 10 0 GFAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000158933221 551558734 /nfs/dbraw/zinc/55/87/34/551558734.db2.gz GNVIYGBXIXARFY-AWEZNQCLSA-N 1 0 392.301 2.862 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000161826435 551598905 /nfs/dbraw/zinc/59/89/05/551598905.db2.gz PILZWJYCALAJQK-SWLSCSKDSA-N 1 0 387.933 2.540 10 0 GFAERO O[C@H](CNCC1=Cc2cc(Br)ccc2OC1)C[NH+]1CCCCC1 ZINC000171050938 551645280 /nfs/dbraw/zinc/64/52/80/551645280.db2.gz RRRWKOOEVAUAIF-QGZVFWFLSA-N 1 0 381.314 2.661 10 0 GFAERO O[C@H](COc1cccc(Br)c1)C[NH+]1CCC(n2ccnc2)CC1 ZINC000171942852 551666669 /nfs/dbraw/zinc/66/66/69/551666669.db2.gz BFJYEAYWFFFXIC-INIZCTEOSA-N 1 0 380.286 2.722 10 0 GFAERO C[C@H]([NH2+]CC(=O)NC(=O)NCc1ccco1)c1cccc(Br)c1 ZINC000182575923 552287648 /nfs/dbraw/zinc/28/76/48/552287648.db2.gz JRMDHZIANTVIOC-NSHDSACASA-N 1 0 380.242 2.719 10 0 GFAERO COC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000182578177 552287684 /nfs/dbraw/zinc/28/76/84/552287684.db2.gz OOGXZTJUVCLRES-DOMZBBRYSA-N 1 0 385.302 2.804 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000183490168 552311026 /nfs/dbraw/zinc/31/10/26/552311026.db2.gz LRZNESNGIOXQHR-JTQLQIEISA-N 1 0 397.310 2.605 10 0 GFAERO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000185515497 552365197 /nfs/dbraw/zinc/36/51/97/552365197.db2.gz SPNKXFSHCZDJGI-GJZGRUSLSA-N 1 0 397.361 2.835 10 0 GFAERO Cc1cc(Br)cc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000188072102 552433408 /nfs/dbraw/zinc/43/34/08/552433408.db2.gz LPLIYBNLWQLDIO-OAHLLOKOSA-N 1 0 384.318 2.789 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Br)c(C)cc2C)C1 ZINC000188076624 552434135 /nfs/dbraw/zinc/43/41/35/552434135.db2.gz PYMBNYSHJKLQAD-CYBMUJFWSA-N 1 0 382.302 2.605 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(C)cc(Br)c1 ZINC000188115264 552435777 /nfs/dbraw/zinc/43/57/77/552435777.db2.gz CPOYHSLKJWUPDO-HNNXBMFYSA-N 1 0 382.302 2.639 10 0 GFAERO CC[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC[N@@H+]1C[C@@H](C)O ZINC000189915459 552482789 /nfs/dbraw/zinc/48/27/89/552482789.db2.gz KLHLYJLLYQGVBH-VXGBXAGGSA-N 1 0 382.917 2.709 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000190577493 552501744 /nfs/dbraw/zinc/50/17/44/552501744.db2.gz RQWDAKMAWFECOZ-OAHLLOKOSA-N 1 0 396.329 2.947 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000190766326 552508438 /nfs/dbraw/zinc/50/84/38/552508438.db2.gz PKVSTRCWNJEXQY-VIFPVBQESA-N 1 0 392.244 2.512 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000191969327 552544161 /nfs/dbraw/zinc/54/41/61/552544161.db2.gz PIWMLZWBYMLNCI-SNVBAGLBSA-N 1 0 388.693 2.642 10 0 GFAERO Cc1cnc(N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)c(Br)c1 ZINC000194317708 553017733 /nfs/dbraw/zinc/01/77/33/553017733.db2.gz IAJXGFDBRNHYGB-UHFFFAOYSA-N 1 0 390.329 2.936 10 0 GFAERO C[C@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@@H]1[NH+](C)C ZINC000229729073 553064245 /nfs/dbraw/zinc/06/42/45/553064245.db2.gz PERRWQTXOMFLOC-ZANVPECISA-N 1 0 392.668 2.967 10 0 GFAERO CC[C@H]1C[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)CCN1CC(F)F ZINC000245758728 553097202 /nfs/dbraw/zinc/09/72/02/553097202.db2.gz PNXAJLBDJXSRSX-DLBZAZTESA-N 1 0 376.875 2.879 10 0 GFAERO O=S(=O)(Cc1ccc(Cl)cc1Br)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245947323 553099439 /nfs/dbraw/zinc/09/94/39/553099439.db2.gz RYWPMEHUCZZBMZ-ZDUSSCGKSA-N 1 0 393.734 2.712 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ncnc2ccc(I)cc21 ZINC000246157465 553103333 /nfs/dbraw/zinc/10/33/33/553103333.db2.gz HGQOFPQZSZOEMW-YPMHNXCESA-N 1 0 394.260 2.907 10 0 GFAERO Cc1c(Br)cccc1NC(=O)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246267189 553104843 /nfs/dbraw/zinc/10/48/43/553104843.db2.gz ADZCIWQJERSXOW-ABAIWWIYSA-N 1 0 382.302 2.541 10 0 GFAERO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246337012 553106489 /nfs/dbraw/zinc/10/64/89/553106489.db2.gz GSASNDRREHPZHZ-HIFRSBDPSA-N 1 0 396.329 2.849 10 0 GFAERO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246926722 553115677 /nfs/dbraw/zinc/11/56/77/553115677.db2.gz ZDRQRYWPFGAQJC-YQQAZPJKSA-N 1 0 397.357 2.931 10 0 GFAERO O=S(=O)(c1cc(Br)ccc1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247235394 553120409 /nfs/dbraw/zinc/12/04/09/553120409.db2.gz DIRZHYBPQXJBQY-NSHDSACASA-N 1 0 379.707 2.571 10 0 GFAERO C[C@@H]1CN([C@H](CNC(=O)NCCc2cscn2)c2cccs2)CCO1 ZINC000247548261 553123914 /nfs/dbraw/zinc/12/39/14/553123914.db2.gz QQTRNPQLKSQYHC-UKRRQHHQSA-N 1 0 380.539 2.508 10 0 GFAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Cc2ccc(I)cc2)C1 ZINC000248714245 553133923 /nfs/dbraw/zinc/13/39/23/553133923.db2.gz JRGBEXAWBDDFRH-SWLSCSKDSA-N 1 0 386.277 2.679 10 0 GFAERO C[C@@H]1C[N@H+](CCOc2cc(F)cc(Br)c2)C[C@H]1N1CCOCC1 ZINC000249276908 553141773 /nfs/dbraw/zinc/14/17/73/553141773.db2.gz MFUYKUBBSFGRBD-CXAGYDPISA-N 1 0 387.293 2.620 10 0 GFAERO CC[C@H]1CN(C(=O)CCc2ccc(C)cc2Br)CC[N@@H+]1C[C@H](C)O ZINC000249369485 553142480 /nfs/dbraw/zinc/14/24/80/553142480.db2.gz WDJPIBYXPXBIMH-RDJZCZTQSA-N 1 0 397.357 2.994 10 0 GFAERO CC[C@@H]1CN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000252352397 553149168 /nfs/dbraw/zinc/14/91/68/553149168.db2.gz BXGPBNURXREFAG-RRFJBIMHSA-N 1 0 391.339 2.510 10 0 GFAERO NC(=O)[C@@H](c1ccc(Br)cc1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261643134 553154991 /nfs/dbraw/zinc/15/49/91/553154991.db2.gz FUNLVRQZBQQOBY-BPQIPLTHSA-N 1 0 388.309 2.650 10 0 GFAERO [NH3+]C1(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)CCOCC1 ZINC000261859747 553161318 /nfs/dbraw/zinc/16/13/18/553161318.db2.gz NBFKWZYUMNTDSZ-CQSZACIVSA-N 1 0 377.243 2.540 10 0 GFAERO CCOC(=O)c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NC(=O)OC(C)(C)C ZINC000725259703 570306701 /nfs/dbraw/zinc/30/67/01/570306701.db2.gz IFCURWONLDMBDV-MGPUTAFESA-N 1 0 376.453 2.944 10 0 GFAERO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000041066390 654622420 /nfs/dbraw/zinc/62/24/20/654622420.db2.gz KCTBIJDDCJDVDE-NSHDSACASA-N 1 0 398.754 2.752 10 0 GFAERO CC[C@H](O)C[NH+]1CCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000123565192 654759566 /nfs/dbraw/zinc/75/95/66/654759566.db2.gz YTMMNVNHQFZUKX-INIZCTEOSA-N 1 0 393.329 2.728 10 0 GFAERO C[C@@H]([NH3+])CCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000063170883 654849670 /nfs/dbraw/zinc/84/96/70/654849670.db2.gz BGWRCLISUGZEKS-ZCFIWIBFSA-N 1 0 376.103 2.772 10 0 GFAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc(Br)c1 ZINC000065297719 654879811 /nfs/dbraw/zinc/87/98/11/654879811.db2.gz VKAXNEREBMFSPJ-DOTOQJQBSA-N 1 0 399.329 2.522 10 0 GFAERO CC[N@H+](CC(=O)N[C@@H](CC(=O)OC)c1cccc(Br)c1)C1CC1 ZINC000131448248 654907517 /nfs/dbraw/zinc/90/75/17/654907517.db2.gz CLONIYOREKPDJN-HNNXBMFYSA-N 1 0 383.286 2.654 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1ccc(=O)c2cccc(Br)c21 ZINC000153218487 655065516 /nfs/dbraw/zinc/06/55/16/655065516.db2.gz BOTNMHISWRRLAK-ZIAGYGMSSA-N 1 0 376.298 2.890 10 0 GFAERO CC[C@H]1CN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC[N@@H+]1CCOC ZINC000106113214 655103380 /nfs/dbraw/zinc/10/33/80/655103380.db2.gz USKOCIHUNPTCSU-HOTGVXAUSA-N 1 0 391.339 2.776 10 0 GFAERO CCOCC[N@@H+]1CCN(CC(=O)Nc2ccccc2Br)C[C@H]1CC ZINC000106117931 655103517 /nfs/dbraw/zinc/10/35/17/655103517.db2.gz CFHYJOXSDGDYGW-OAHLLOKOSA-N 1 0 398.345 2.820 10 0 GFAERO CCOCC[N@@H+]1CCN(CC(=O)N(C)Cc2ccc(Cl)s2)C[C@H]1CC ZINC000106118517 655103525 /nfs/dbraw/zinc/10/35/25/655103525.db2.gz KFMPZAXYFOVXEJ-OAHLLOKOSA-N 1 0 387.977 2.793 10 0 GFAERO O[C@@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106171498 655104071 /nfs/dbraw/zinc/10/40/71/655104071.db2.gz PHTPFMLJNRZSRQ-DZGCQCFKSA-N 1 0 385.295 2.737 10 0 GFAERO CCc1nc2n(n1)C[C@@H]([NH2+]CC1=Cc3cc(Br)ccc3OC1)CC2 ZINC000109073081 655141677 /nfs/dbraw/zinc/14/16/77/655141677.db2.gz HSHXVBMCJYNWPY-HNNXBMFYSA-N 1 0 389.297 2.983 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(I)c(F)c1 ZINC000113224026 655205595 /nfs/dbraw/zinc/20/55/95/655205595.db2.gz GDPXMFGTUHNAIZ-CMPLNLGQSA-N 1 0 388.224 2.739 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C/c1ccc(I)o1 ZINC000113233625 655205645 /nfs/dbraw/zinc/20/56/45/655205645.db2.gz DBMZWXHINOGAJU-ONYUAGEFSA-N 1 0 386.233 2.593 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(F)cc1I ZINC000113230071 655205681 /nfs/dbraw/zinc/20/56/81/655205681.db2.gz IRSAFFHMRHMVRU-CMPLNLGQSA-N 1 0 388.224 2.739 10 0 GFAERO CC[C@H]1CN(C(=O)CCc2ccc(Br)c(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000176279270 655243343 /nfs/dbraw/zinc/24/33/43/655243343.db2.gz QYEASUOZCRLHSD-WBVHZDCISA-N 1 0 397.357 2.994 10 0 GFAERO Cc1cc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c2ccc(Br)cc2n1 ZINC000116785654 655253282 /nfs/dbraw/zinc/25/32/82/655253282.db2.gz DZGFVWPANMQSIM-CQSZACIVSA-N 1 0 392.297 2.708 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(F)cc1Br ZINC000118670349 655280324 /nfs/dbraw/zinc/28/03/24/655280324.db2.gz PLVSRSKREJHQSI-GFCCVEGCSA-N 1 0 379.295 2.693 10 0 GFAERO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177682058 655285855 /nfs/dbraw/zinc/28/58/55/655285855.db2.gz JMIRIVCMQVMMFX-NSHDSACASA-N 1 0 375.778 2.604 10 0 GFAERO C[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)NCCc1cccs1 ZINC000120172726 655330055 /nfs/dbraw/zinc/33/00/55/655330055.db2.gz MJSKQCOAUKNCAC-ZIAGYGMSSA-N 1 0 380.535 2.550 10 0 GFAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000237058572 655425495 /nfs/dbraw/zinc/42/54/95/655425495.db2.gz KXMAWTGMCJWVPY-SUMWQHHRSA-N 1 0 382.346 2.903 10 0 GFAERO C[C@@H]1[C@H]([NH3+])CCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000261587232 655441409 /nfs/dbraw/zinc/44/14/09/655441409.db2.gz JJKJZBUBCDRFNQ-LHLIQPBNSA-N 1 0 388.114 2.866 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C[NH2+]Cc2ccc(Br)s2)C1 ZINC000702763171 655521781 /nfs/dbraw/zinc/52/17/81/655521781.db2.gz MWWOVZUDQCHCSQ-JQWIXIFHSA-N 1 0 391.331 2.828 10 0 GFAERO C[NH+](C)CCCNC(=O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1 ZINC000002034465 206396078 /nfs/dbraw/zinc/39/60/78/206396078.db2.gz RXBGAHUJPMHDIW-UHFFFAOYSA-N 1 0 380.444 2.907 10 0 GFAERO C[C@H](CCc1ccccc1)[NH2+]C[C@H](O)CN[C@@H](C)[C@@H]1COc2ccccc2O1 ZINC000004023819 206499102 /nfs/dbraw/zinc/49/91/02/206499102.db2.gz BEQAAXDTEYGDBU-YNQURBJZSA-N 1 0 384.520 2.776 10 0 GFAERO O=C(NCc1ccccc1)c1nn(CCO)c2c1C[N@@H+](C[C@@H]1CC=CCC1)CC2 ZINC000014542866 207023696 /nfs/dbraw/zinc/02/36/96/207023696.db2.gz RACBOGKQJFCXTC-LJQANCHMSA-N 1 0 394.519 2.520 10 0 GFAERO Cc1cc(C(=O)N2CCC[C@@H](Cn3cc(C[NH3+])nn3)C2)c(-c2ccccc2)o1 ZINC000019229313 207108972 /nfs/dbraw/zinc/10/89/72/207108972.db2.gz VTASBZPCPXZQPD-MRXNPFEDSA-N 1 0 379.464 2.858 10 0 GFAERO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[NH2+]CCN1CCCC1 ZINC000020472306 207196027 /nfs/dbraw/zinc/19/60/27/207196027.db2.gz DJEJXKZBIZQAPI-UHFFFAOYSA-N 1 0 383.540 2.844 10 0 GFAERO O=C(CCN1CCCC1=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000012386788 207306357 /nfs/dbraw/zinc/30/63/57/207306357.db2.gz LQOAZELNMXVTCK-JOCHJYFZSA-N 1 0 375.557 2.894 10 0 GFAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1 ZINC000095080372 208152254 /nfs/dbraw/zinc/15/22/54/208152254.db2.gz RVEJWGYZBXCGGM-KXBFYZLASA-N 1 0 393.491 2.707 10 0 GFAERO COCC(=O)N1CCc2[nH]cnc2C12CC[NH+](CC[C@@H](C)c1ccccc1)CC2 ZINC000095503794 208205202 /nfs/dbraw/zinc/20/52/02/208205202.db2.gz YGGVPOXMSDBIRR-GOSISDBHSA-N 1 0 396.535 2.926 10 0 GFAERO [NH3+]C[C@@H](NC(=O)c1cc(Br)ccc1Br)C(F)(F)F ZINC000401667947 563535522 /nfs/dbraw/zinc/53/55/22/563535522.db2.gz JASMLPNABFKHOZ-MRVPVSSYSA-N 1 0 389.997 2.831 10 0 GFAERO NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1cccc(OCc3ccccc3)c1)CC2 ZINC000275534256 527098195 /nfs/dbraw/zinc/09/81/95/527098195.db2.gz MDMFUOPRLRKOFV-LJQANCHMSA-N 1 0 390.487 2.913 10 0 GFAERO C[C@@H](Cc1ccccc1Br)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000152641687 551437390 /nfs/dbraw/zinc/43/73/90/551437390.db2.gz NUCLRPSRDDGASO-HOCLYGCPSA-N 1 0 398.345 2.526 10 0 GFAERO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@H]3CCC[NH2+]C3)sc2C)s1 ZINC000154310874 551471581 /nfs/dbraw/zinc/47/15/81/551471581.db2.gz UJIRRRAADABWGC-LBPRGKRZSA-N 1 0 378.523 2.754 10 0 GFAERO Cn1cc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc(Br)c1=O ZINC000156289416 551519540 /nfs/dbraw/zinc/51/95/40/551519540.db2.gz YYPIUOHZENOZHP-UHFFFAOYSA-N 1 0 385.306 2.579 10 0 GFAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000158933083 551558974 /nfs/dbraw/zinc/55/89/74/551558974.db2.gz GNVIYGBXIXARFY-CQSZACIVSA-N 1 0 392.301 2.862 10 0 GFAERO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171907163 551665991 /nfs/dbraw/zinc/66/59/91/551665991.db2.gz YSMRJLDSMADDMI-DOTOQJQBSA-N 1 0 393.329 2.517 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000172349344 551677105 /nfs/dbraw/zinc/67/71/05/551677105.db2.gz ZTONEFBZZUOGTA-LBPRGKRZSA-N 1 0 378.270 2.505 10 0 GFAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(I)c(Cl)c2)C1 ZINC000176205976 552136360 /nfs/dbraw/zinc/13/63/60/552136360.db2.gz ZMZOIQNRWKBMGH-JTQLQIEISA-N 1 0 378.641 2.721 10 0 GFAERO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000181917684 552270491 /nfs/dbraw/zinc/27/04/91/552270491.db2.gz DOENLMDBGPODRD-KRWDZBQOSA-N 1 0 383.330 2.797 10 0 GFAERO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)s1)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000183015886 552298717 /nfs/dbraw/zinc/29/87/17/552298717.db2.gz KPKIUDGSVMDSFF-NXEZZACHSA-N 1 0 387.914 2.727 10 0 GFAERO Cc1ccc(CCC(=O)NC[C@H](O)C[NH+]2CCCCC2)c(Br)c1 ZINC000185110862 552354513 /nfs/dbraw/zinc/35/45/13/552354513.db2.gz AEWVLLVVECQRKK-INIZCTEOSA-N 1 0 383.330 2.653 10 0 GFAERO Cc1c(Br)c2ccccc2n1CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000186890935 552400499 /nfs/dbraw/zinc/40/04/99/552400499.db2.gz GBSIBWKWMUXYDY-NWANDNLSSA-N 1 0 376.298 2.908 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000187662046 552421247 /nfs/dbraw/zinc/42/12/47/552421247.db2.gz UTDPQKOGRMRIDI-LBPRGKRZSA-N 1 0 377.794 2.898 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(Br)c(C)cc1C ZINC000188115119 552435783 /nfs/dbraw/zinc/43/57/83/552435783.db2.gz LAUMFHHQBHOGGJ-CQSZACIVSA-N 1 0 396.329 2.947 10 0 GFAERO CSc1nsc(NC(=O)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)n1 ZINC000190505447 552498759 /nfs/dbraw/zinc/49/87/59/552498759.db2.gz AEIDSGXIVGXNEW-CYBMUJFWSA-N 1 0 378.527 2.641 10 0 GFAERO C[C@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)c1ccc(S(C)(=O)=O)cc1 ZINC000192525040 552566344 /nfs/dbraw/zinc/56/63/44/552566344.db2.gz FIAJBKBBLMQTQS-LBPRGKRZSA-N 1 0 376.503 2.854 10 0 GFAERO Cc1cc(Cl)ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000192843967 552975916 /nfs/dbraw/zinc/97/59/16/552975916.db2.gz XYCQKGCDYQWOJW-LBPRGKRZSA-N 1 0 381.885 2.585 10 0 GFAERO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@@H]1[NH+](C)C ZINC000229729063 553064262 /nfs/dbraw/zinc/06/42/62/553064262.db2.gz PERRWQTXOMFLOC-RNCFNFMXSA-N 1 0 392.668 2.967 10 0 GFAERO C[C@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@H]1[NH+](C)C ZINC000229729090 553064237 /nfs/dbraw/zinc/06/42/37/553064237.db2.gz PERRWQTXOMFLOC-TVQRCGJNSA-N 1 0 392.668 2.967 10 0 GFAERO C[C@H](CC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)c1ccc(Br)cc1 ZINC000245927641 553099720 /nfs/dbraw/zinc/09/97/20/553099720.db2.gz JCYFUFGKCCOAJU-KFWWJZLASA-N 1 0 383.330 2.856 10 0 GFAERO Cc1c(I)cccc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000246022426 553101130 /nfs/dbraw/zinc/10/11/30/553101130.db2.gz OARXXXDQQVQSFF-DGCLKSJQSA-N 1 0 384.261 2.908 10 0 GFAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Cc2cccc(I)c2)C1 ZINC000246081913 553102079 /nfs/dbraw/zinc/10/20/79/553102079.db2.gz ZZHYHNQALRTUJD-SWLSCSKDSA-N 1 0 386.277 2.679 10 0 GFAERO C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000248496542 553130776 /nfs/dbraw/zinc/13/07/76/553130776.db2.gz LLDGBGIQJQBTGX-QILLFSRXSA-N 1 0 389.323 2.890 10 0 GFAERO Cc1ccc(CCC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c(Br)c1 ZINC000249372766 553142255 /nfs/dbraw/zinc/14/22/55/553142255.db2.gz XENSQVMPWLEPDF-GJZGRUSLSA-N 1 0 383.330 2.604 10 0 GFAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccccc1I ZINC000252661703 553150520 /nfs/dbraw/zinc/15/05/20/553150520.db2.gz OFAPHGQNFSHMDC-STQMWFEESA-N 1 0 384.261 2.990 10 0 GFAERO Brc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)C1 ZINC000261984271 553164223 /nfs/dbraw/zinc/16/42/23/553164223.db2.gz RYSFKQLZPRZLQZ-BURFUSLBSA-N 1 0 394.357 2.775 10 0 GFAERO COc1c(Br)cccc1CN1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000263486023 553188374 /nfs/dbraw/zinc/18/83/74/553188374.db2.gz HKTJCYZXALBMDO-CQSZACIVSA-N 1 0 385.302 2.829 10 0 GFAERO C[C@@H]([NH2+]CCn1cc(Br)cn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000285507435 563524100 /nfs/dbraw/zinc/52/41/00/563524100.db2.gz AYLTZLRKPYZCEY-OLZOCXBDSA-N 1 0 387.322 2.881 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(F)c1I ZINC000532740148 564944244 /nfs/dbraw/zinc/94/42/44/564944244.db2.gz BALDADSKGXOMOV-NSHDSACASA-N 1 0 390.240 2.987 10 0 GFAERO [NH3+]C[C@@H]1CN(c2ccc(I)cn2)CC[C@H]1C(F)(F)F ZINC000600863398 565753099 /nfs/dbraw/zinc/75/30/99/565753099.db2.gz MDXASMWWUJSONT-PSASIEDQSA-N 1 0 385.171 2.650 10 0 GFAERO CCOC(=O)c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NC(=O)OC(C)(C)C ZINC000725259701 570306179 /nfs/dbraw/zinc/30/61/79/570306179.db2.gz IFCURWONLDMBDV-FOIQADDNSA-N 1 0 376.453 2.944 10 0 GFAERO CCOC(=O)c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NC(=O)OC(C)(C)C ZINC000725259706 570306182 /nfs/dbraw/zinc/30/61/82/570306182.db2.gz IFCURWONLDMBDV-YWZLYKJASA-N 1 0 376.453 2.944 10 0 GFAERO COC(=O)c1cc(F)c2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NC(=O)OC(C)(C)C ZINC000725260705 570310270 /nfs/dbraw/zinc/31/02/70/570310270.db2.gz VCVPNJUGVSEDJF-ORAYPTAESA-N 1 0 380.416 2.693 10 0 GFAERO CN(C)c1nc(N2CCCC2)ncc1NC(=O)COc1ccc(Cl)cc1 ZINC000224353140 570450093 /nfs/dbraw/zinc/45/00/93/570450093.db2.gz TZSOSBINQUZDGG-UHFFFAOYSA-N 1 0 375.860 2.814 10 0 GFAERO Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@@H]([NH2+]Cc1cccnc1)C2 ZINC000014741968 570504549 /nfs/dbraw/zinc/50/45/49/570504549.db2.gz AHTOBZCXMFGOGH-GOSISDBHSA-N 1 0 393.466 2.531 10 0 GFAERO O=C(N[C@@H]1CC[NH2+]C1)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000127078665 654824351 /nfs/dbraw/zinc/82/43/51/654824351.db2.gz MNUXBGBYYQLMLQ-CYBMUJFWSA-N 1 0 389.297 2.605 10 0 GFAERO O=C(CSc1cccc(Br)c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000128051927 654840972 /nfs/dbraw/zinc/84/09/72/654840972.db2.gz MNVQYZLHOYZBHR-AWEZNQCLSA-N 1 0 387.343 2.504 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000173553918 655174619 /nfs/dbraw/zinc/17/46/19/655174619.db2.gz WNPGUSJYXTZCKB-NWDGAFQWSA-N 1 0 376.448 2.973 10 0 GFAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000112548580 655193309 /nfs/dbraw/zinc/19/33/09/655193309.db2.gz RMDUGLCRCSTVHT-JQWIXIFHSA-N 1 0 379.810 2.606 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(Br)ccc1Cl ZINC000113306066 655208040 /nfs/dbraw/zinc/20/80/40/655208040.db2.gz VTKFIXSXQUENTH-ZYHUDNBSSA-N 1 0 393.734 2.960 10 0 GFAERO CCn1c(=S)n(CN2CC[N@H+](CCOC)[C@H](C)C2)nc1-c1cccs1 ZINC000117323211 655264187 /nfs/dbraw/zinc/26/41/87/655264187.db2.gz GCTVDGVJPOJATM-CQSZACIVSA-N 1 0 381.571 2.772 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(I)cc1 ZINC000177087382 655268119 /nfs/dbraw/zinc/26/81/19/655268119.db2.gz GWLUXYZYVUGOIY-SMDDNHRTSA-N 1 0 385.249 2.992 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(F)cc1Br ZINC000118670353 655280391 /nfs/dbraw/zinc/28/03/91/655280391.db2.gz PLVSRSKREJHQSI-LBPRGKRZSA-N 1 0 379.295 2.693 10 0 GFAERO OCC[N@H+](CCOCC(F)(F)F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000179611348 655315122 /nfs/dbraw/zinc/31/51/22/655315122.db2.gz HTXURRXYDMTFNI-CQSZACIVSA-N 1 0 380.794 2.706 10 0 GFAERO Cc1csc([C@H]2CCCN([C@@H](C)C(=O)Nc3sccc3C(N)=O)C2)n1 ZINC000195328917 655420111 /nfs/dbraw/zinc/42/01/11/655420111.db2.gz JAGWQFKFLDLRSC-RYUDHWBXSA-N 1 0 378.523 2.819 10 0 GFAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000237062751 655425517 /nfs/dbraw/zinc/42/55/17/655425517.db2.gz DAMHLVLKUZAPBT-XJKSGUPXSA-N 1 0 383.330 2.987 10 0 GFAERO Cc1c(C(=O)N[C@@H](C)c2cccc(Br)c2)nnn1C1CC[NH2+]CC1 ZINC000237502370 655426267 /nfs/dbraw/zinc/42/62/67/655426267.db2.gz VEGCVIKFKDQRDG-NSHDSACASA-N 1 0 392.301 2.765 10 0 GFAERO COc1cc(/C=C/C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc(Br)c1O ZINC000248417467 655432343 /nfs/dbraw/zinc/43/23/43/655432343.db2.gz REQUTRXVJQXZQM-LJXRPBPOSA-N 1 0 395.297 2.872 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C\c1ccc(I)o1 ZINC000255343535 655438396 /nfs/dbraw/zinc/43/83/96/655438396.db2.gz DBMZWXHINOGAJU-OXTPZFROSA-N 1 0 386.233 2.593 10 0 GFAERO C[NH2+][C@H](C)CNC(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000261748813 655442165 /nfs/dbraw/zinc/44/21/65/655442165.db2.gz NEYAGIIYVYSWHB-SSDOTTSWSA-N 1 0 386.155 2.648 10 0 GFAERO CCOC(=O)C[C@@H](NC(=O)CC[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000261818008 655442496 /nfs/dbraw/zinc/44/24/96/655442496.db2.gz HSEIBWNVSXSNGD-CZUORRHYSA-N 1 0 397.313 2.949 10 0 GFAERO O=C1C[C@H](c2ccccc2)C(=O)N1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000034471667 206304519 /nfs/dbraw/zinc/30/45/19/206304519.db2.gz MSHUPYLQZBJGOB-OAQYLSRUSA-N 1 0 377.488 2.741 10 0 GFAERO C[C@@H](O)C[NH2+]C1CCN(c2ccc(C(=O)N3CCc4ccccc4C3)cc2)CC1 ZINC000011881303 206841390 /nfs/dbraw/zinc/84/13/90/206841390.db2.gz BBYAAMXJUZCTPQ-GOSISDBHSA-N 1 0 393.531 2.824 10 0 GFAERO COc1ccc(CC[NH2+][C@@H]2CCc3c(c(C(=O)N4CCCCC4)nn3C)C2)cc1 ZINC000014745352 207028264 /nfs/dbraw/zinc/02/82/64/207028264.db2.gz YIRHIZJSYLVTOG-GOSISDBHSA-N 1 0 396.535 2.744 10 0 GFAERO CSc1ncc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)cn1 ZINC000020601660 207206382 /nfs/dbraw/zinc/20/63/82/207206382.db2.gz BZZFICXEHCAKNF-HXUWFJFHSA-N 1 0 383.565 2.985 10 0 GFAERO O=C(NCCOc1cccc(C(F)(F)F)c1)c1c[nH]nc1C1CC[NH2+]CC1 ZINC000020936757 207221664 /nfs/dbraw/zinc/22/16/64/207221664.db2.gz CALBRDZJQPQBPG-UHFFFAOYSA-N 1 0 382.386 2.704 10 0 GFAERO O=C(CCc1cc2n(n1)CCC[NH2+]C2)N[C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000072476179 208030204 /nfs/dbraw/zinc/03/02/04/208030204.db2.gz CCQSGBQMYHFGAE-NHCUHLMSSA-N 1 0 382.508 2.563 10 0 GFAERO CCn1cncc1C[NH+]1CCC2(CC(=O)N(Cc3cccc(OC)c3)C2)CC1 ZINC000077419169 208043278 /nfs/dbraw/zinc/04/32/78/208043278.db2.gz HQVKWJFRHSYSLF-UHFFFAOYSA-N 1 0 382.508 2.926 10 0 GFAERO CCC[NH+]1CCN(C(=O)[C@@H]2CCc3sc(C(=O)N4CCCC4)cc3C2)CC1 ZINC000096398341 208314625 /nfs/dbraw/zinc/31/46/25/208314625.db2.gz WEDLIGFRMXKERQ-MRXNPFEDSA-N 1 0 389.565 2.643 10 0 GFAERO C[C@@H]1C=NN(c2ccccc2N2CC[NH2+]C[C@@H]2C(=O)Cc2ccccc2)C(=O)C1 ZINC000095935748 136182673 /nfs/dbraw/zinc/18/26/73/136182673.db2.gz ZNOXJJOKUCXBAZ-LAUBAEHRSA-N 1 0 390.487 2.635 10 0 GFAERO COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(N(C)C)cn[nH+]2)CC1 ZINC000224311629 136206766 /nfs/dbraw/zinc/20/67/66/136206766.db2.gz IHRMOEQPHBYOCR-UHFFFAOYSA-N 1 0 390.875 2.559 10 0 GFAERO CC(C)[C@H](CO)[NH2+]C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1 ZINC000503973389 529025564 /nfs/dbraw/zinc/02/55/64/529025564.db2.gz GPQWLJZZYQYZJV-CTNGQTDRSA-N 1 0 385.504 2.848 10 0 GFAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1cc(F)c(Br)cc1F ZINC000121524597 551236422 /nfs/dbraw/zinc/23/64/22/551236422.db2.gz KNPMEHPRXQQIDW-SNVBAGLBSA-N 1 0 392.244 2.696 10 0 GFAERO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000129301984 551355981 /nfs/dbraw/zinc/35/59/81/551355981.db2.gz PPGNNXGAMATTRD-CQSZACIVSA-N 1 0 396.329 2.933 10 0 GFAERO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000152216871 551428475 /nfs/dbraw/zinc/42/84/75/551428475.db2.gz ZIMVDQDYUAVUPU-JSGCOSHPSA-N 1 0 387.293 2.556 10 0 GFAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2cc(Cl)ccc2Br)C[C@H]1C ZINC000152834670 551440772 /nfs/dbraw/zinc/44/07/72/551440772.db2.gz HMIRFIGSLPFCPO-VXGBXAGGSA-N 1 0 389.721 2.559 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(Br)cc1F ZINC000154533853 551477666 /nfs/dbraw/zinc/47/76/66/551477666.db2.gz SVIQJNJYYXOUBG-LBPRGKRZSA-N 1 0 379.295 2.693 10 0 GFAERO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000158996863 551559646 /nfs/dbraw/zinc/55/96/46/551559646.db2.gz OBIIEEICUCYXGO-CQSZACIVSA-N 1 0 388.917 2.525 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000162559295 551609636 /nfs/dbraw/zinc/60/96/36/551609636.db2.gz GPHHTNJOAAYPCO-VHSXEESVSA-N 1 0 395.269 2.585 10 0 GFAERO C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000163061088 551615814 /nfs/dbraw/zinc/61/58/14/551615814.db2.gz DHUYJFHWJPPRLY-CYBMUJFWSA-N 1 0 380.897 2.711 10 0 GFAERO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000170834065 551641101 /nfs/dbraw/zinc/64/11/01/551641101.db2.gz QFZKJIXSRPSQHR-RHSMWYFYSA-N 1 0 395.345 2.621 10 0 GFAERO CN(Cc1ccc(Br)cn1)C1CC[NH+](CCn2cccn2)CC1 ZINC000171973348 551667923 /nfs/dbraw/zinc/66/79/23/551667923.db2.gz AQXCDDFTWZJRDH-UHFFFAOYSA-N 1 0 378.318 2.637 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000172001749 551668564 /nfs/dbraw/zinc/66/85/64/551668564.db2.gz WUWQZCFTUBRPFI-LBPRGKRZSA-N 1 0 378.270 2.505 10 0 GFAERO CC[C@H]1CN(C(=O)C2(c3cccc(Br)c3)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000174629287 552107553 /nfs/dbraw/zinc/10/75/53/552107553.db2.gz WCZYGERPMNWQCC-PBHICJAKSA-N 1 0 395.341 2.784 10 0 GFAERO C[C@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)c1cccc(Br)c1 ZINC000175596221 552125841 /nfs/dbraw/zinc/12/58/41/552125841.db2.gz HOJWMKYDORTIFH-AWEZNQCLSA-N 1 0 397.361 2.835 10 0 GFAERO C[NH+](C)[C@H]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000180681073 552232933 /nfs/dbraw/zinc/23/29/33/552232933.db2.gz MHOVCRXTXNOMLX-LBPRGKRZSA-N 1 0 381.723 2.568 10 0 GFAERO CCOc1cc(Br)ccc1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000181240874 552251402 /nfs/dbraw/zinc/25/14/02/552251402.db2.gz VXVOKHCOGAYFII-ZDUSSCGKSA-N 1 0 386.290 2.642 10 0 GFAERO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000181917704 552270341 /nfs/dbraw/zinc/27/03/41/552270341.db2.gz DOENLMDBGPODRD-QGZVFWFLSA-N 1 0 383.330 2.797 10 0 GFAERO CC(C)[N@@H+]1CCO[C@H](CN2CCN(Cc3ncc(Cl)cc3Cl)CC2)C1 ZINC000182236126 552279039 /nfs/dbraw/zinc/27/90/39/552279039.db2.gz RIUCNMCRVKGLOD-MRXNPFEDSA-N 1 0 387.355 2.615 10 0 GFAERO Cc1cc(Br)ccc1CC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000182276520 552280432 /nfs/dbraw/zinc/28/04/32/552280432.db2.gz MPGYIFQKVAXSRV-OAHLLOKOSA-N 1 0 397.357 2.851 10 0 GFAERO Cc1nc2n(n1)C[C@H]([NH2+][C@H](c1ccc(Br)cc1)c1cncnc1)CC2 ZINC000186165803 552380515 /nfs/dbraw/zinc/38/05/15/552380515.db2.gz BOISDVBYUYSVFW-SJLPKXTDSA-N 1 0 399.296 2.833 10 0 GFAERO COCCC[N@H+](C)CCN[C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186213674 552382334 /nfs/dbraw/zinc/38/23/34/552382334.db2.gz QHJJWFUXQODNIR-GOSISDBHSA-N 1 0 393.329 2.886 10 0 GFAERO Cc1ccc(CC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1Br ZINC000188272109 552441010 /nfs/dbraw/zinc/44/10/10/552441010.db2.gz MEBCKNFAGATQAE-OAHLLOKOSA-N 1 0 397.357 2.851 10 0 GFAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)NCCc2nccs2)C1 ZINC000190703521 552506370 /nfs/dbraw/zinc/50/63/70/552506370.db2.gz XFKJDWDUINJJCN-AWEZNQCLSA-N 1 0 379.555 2.614 10 0 GFAERO CC[C@@H](O)C[NH+]1CCN([C@@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)CC1 ZINC000192045257 552547150 /nfs/dbraw/zinc/54/71/50/552547150.db2.gz MIUYLDQYJGTXMQ-CZUORRHYSA-N 1 0 375.296 2.596 10 0 GFAERO Cn1cc([C@@H]2CC[N@@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)cn1 ZINC000192073382 552548869 /nfs/dbraw/zinc/54/88/69/552548869.db2.gz LPBSTPQYYSHXTI-CXAGYDPISA-N 1 0 389.297 2.777 10 0 GFAERO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000192091467 552550490 /nfs/dbraw/zinc/55/04/90/552550490.db2.gz RBKXRNPQGVBHQF-HZMBPMFUSA-N 1 0 388.295 2.785 10 0 GFAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(CC(=O)NCc2cccs2)C1 ZINC000195259365 553043143 /nfs/dbraw/zinc/04/31/43/553043143.db2.gz HRJLMGCZFFKTKU-OAHLLOKOSA-N 1 0 378.567 2.583 10 0 GFAERO C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc(Br)c2)C[C@H]1n1ccnc1 ZINC000245575099 553093238 /nfs/dbraw/zinc/09/32/38/553093238.db2.gz HNDINCZFWNYUIL-UWWQBHOKSA-N 1 0 394.313 2.968 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(C(=O)CCCOc2ccccc2Br)C[C@@H]1C ZINC000246778704 553112660 /nfs/dbraw/zinc/11/26/60/553112660.db2.gz PWKMFETWDUFAQG-GJZGRUSLSA-N 1 0 399.329 2.522 10 0 GFAERO CCOCC[N@@H+]1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000247601652 553124197 /nfs/dbraw/zinc/12/41/97/553124197.db2.gz LBSWKFHFGZORAY-LSDHHAIUSA-N 1 0 391.339 2.776 10 0 GFAERO CC[C@@H]1CN(C(=O)N[C@H](C)c2cccc(Br)c2)CC[N@@H+]1C[C@H](C)O ZINC000248445898 553130082 /nfs/dbraw/zinc/13/00/82/553130082.db2.gz FILQVLUWJZMEOL-JJRVBVJISA-N 1 0 398.345 2.997 10 0 GFAERO CCCN(C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 ZINC000248590587 553131445 /nfs/dbraw/zinc/13/14/45/553131445.db2.gz KWKBXDNSEQSPOG-AGIUHOORSA-N 1 0 392.974 2.866 10 0 GFAERO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248677265 553133291 /nfs/dbraw/zinc/13/32/91/553133291.db2.gz UIMVHOQZHVZMJJ-JTQLQIEISA-N 1 0 379.707 2.571 10 0 GFAERO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248878715 553136701 /nfs/dbraw/zinc/13/67/01/553136701.db2.gz OTNASMZTJZLASN-MKBNYLNASA-N 1 0 375.296 2.594 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Br)c(C)nc1OC ZINC000249147529 553140254 /nfs/dbraw/zinc/14/02/54/553140254.db2.gz UYLPHZYMWXCRAT-STQMWFEESA-N 1 0 382.302 2.860 10 0 GFAERO COC(=O)c1cc(C)c2c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)C1)C[C@H]2[NH3+] ZINC000725259836 570306874 /nfs/dbraw/zinc/30/68/74/570306874.db2.gz KAISFNQBSCKUCT-VLIAUNLRSA-N 1 0 376.453 2.944 10 0 GFAERO COC(=O)c1cc(F)c2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NC(=O)OC(C)(C)C ZINC000725260702 570309863 /nfs/dbraw/zinc/30/98/63/570309863.db2.gz VCVPNJUGVSEDJF-BFUOFWGJSA-N 1 0 380.416 2.693 10 0 GFAERO CC[C@@H](O)C[NH2+][C@H](c1nc(-c2cc(OC)c(OC)c(OC)c2)no1)C(C)C ZINC000036160570 570555861 /nfs/dbraw/zinc/55/58/61/570555861.db2.gz QKGSKTPJTDQHFG-CJNGLKHVSA-N 1 0 379.457 2.820 10 0 GFAERO O=C(c1ccc[n+]([O-])c1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000012443338 570665361 /nfs/dbraw/zinc/66/53/61/570665361.db2.gz YSZQGTCOSLLRPG-NRFANRHFSA-N 1 0 387.430 2.727 10 0 GFAERO Cn1c(C(=O)NCC[NH+]2CCCC2)cc2c1CCN(Cc1cccc(F)c1)C2 ZINC000065211134 570730328 /nfs/dbraw/zinc/73/03/28/570730328.db2.gz ODFVGOGLZBTIFT-UHFFFAOYSA-N 1 0 384.499 2.548 10 0 GFAERO Cc1cccc2[nH]c(=O)c(-c3nc4cc(N5CC[NH+](C)CC5)ccc4[nH]3)c(N)c12 ZINC000040424299 581092967 /nfs/dbraw/zinc/09/29/67/581092967.db2.gz JJNUVTXMRDPOPO-UHFFFAOYSA-N 1 0 388.475 2.714 10 0 GFAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cccc(I)c1 ZINC000096658523 655031976 /nfs/dbraw/zinc/03/19/76/655031976.db2.gz RZOLZEXOLSALCQ-SWLSCSKDSA-N 1 0 384.261 2.990 10 0 GFAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2cc(F)ccc2Br)CC1 ZINC000176883429 655258864 /nfs/dbraw/zinc/25/88/64/655258864.db2.gz CJPTXJRARPEHQA-GFCCVEGCSA-N 1 0 387.293 2.753 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C/c1ccc(I)o1 ZINC000176984817 655264756 /nfs/dbraw/zinc/26/47/56/655264756.db2.gz CRILFQGLCKGRAC-YPUOHESYSA-N 1 0 388.249 2.840 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1csc(I)c1 ZINC000118899042 655283389 /nfs/dbraw/zinc/28/33/89/655283389.db2.gz REIUAKLUHFWPLM-LLVKDONJSA-N 1 0 378.279 2.909 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000180077603 655321648 /nfs/dbraw/zinc/32/16/48/655321648.db2.gz QDCYQOAFXFRLJM-GFCCVEGCSA-N 1 0 375.878 2.661 10 0 GFAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000237006328 655425396 /nfs/dbraw/zinc/42/53/96/655425396.db2.gz OBARKGMVEJZFNM-IAQYHMDHSA-N 1 0 375.922 2.682 10 0 GFAERO [NH3+][C@H](C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F)C1CCOCC1 ZINC000261843627 655442659 /nfs/dbraw/zinc/44/26/59/655442659.db2.gz QSWUSCMVTSATTO-LBPRGKRZSA-N 1 0 383.222 2.965 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+]Cc2sccc2Br)C1 ZINC000702764946 655521755 /nfs/dbraw/zinc/52/17/55/655521755.db2.gz PTIVHZOEPJZHAI-PWSUYJOCSA-N 1 0 391.331 2.828 10 0 GFAERO CC[C@@H](O)C[NH+]1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000118859326 677395687 /nfs/dbraw/zinc/39/56/87/677395687.db2.gz HZAFONWIIUDCQT-LLVKDONJSA-N 1 0 394.730 2.974 10 0 GFAERO COc1cc(C[NH2+]C[C@H]2CCc3nc(C(F)(F)F)cn3C2)cc2c1OCO2 ZINC000328626604 206235593 /nfs/dbraw/zinc/23/55/93/206235593.db2.gz FFWXNDVIZMSWSA-LLVKDONJSA-N 1 0 383.370 2.991 10 0 GFAERO CC[C@H](C)[N@@H+]1CCc2c(c(C(=O)NC3CC3)nn2Cc2cccc(OC)c2)C1 ZINC000014733271 207027563 /nfs/dbraw/zinc/02/75/63/207027563.db2.gz XQTFERGGGQMRBK-HNNXBMFYSA-N 1 0 382.508 2.989 10 0 GFAERO CCC[NH+]1CCN(CCCNC(=O)CCc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000020155655 207180120 /nfs/dbraw/zinc/18/01/20/207180120.db2.gz ULIWGBDQXBSIIG-UHFFFAOYSA-N 1 0 399.539 2.512 10 0 GFAERO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)C4=C(C)OCCO4)C3)C2)c1 ZINC000012478317 207317902 /nfs/dbraw/zinc/31/79/02/207317902.db2.gz DAGDBAMYTUJPJS-JOCHJYFZSA-N 1 0 386.492 2.788 10 0 GFAERO O=C([C@@H]1CS[C@@H](c2cccnc2)N1)N1CC[NH+](CCCc2ccccc2)CC1 ZINC000027709016 207330461 /nfs/dbraw/zinc/33/04/61/207330461.db2.gz FHKSAMKFFJMXMV-SFTDATJTSA-N 1 0 396.560 2.562 10 0 GFAERO CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C[C@@]2(CC[NH2+]C2)C1 ZINC000091302682 208114559 /nfs/dbraw/zinc/11/45/59/208114559.db2.gz NCLKKBPEWSLQQA-NRFANRHFSA-N 1 0 389.496 2.856 10 0 GFAERO COc1ccnc(C[N@@H+]2CCC[C@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)c1 ZINC000091416523 208116105 /nfs/dbraw/zinc/11/61/05/208116105.db2.gz KYSAZXJXULJCDF-QFIPXVFZSA-N 1 0 395.507 2.593 10 0 GFAERO COCC(=O)N1CCc2[nH]cnc2C12CC[NH+](CC[C@H](C)c1ccccc1)CC2 ZINC000095503793 208204025 /nfs/dbraw/zinc/20/40/25/208204025.db2.gz YGGVPOXMSDBIRR-SFHVURJKSA-N 1 0 396.535 2.926 10 0 GFAERO Cc1ccc(C[N@@H+]2CCC[C@]3(C(=O)N(C)C)CN(c4ccccn4)C[C@@H]3C2)o1 ZINC000096056126 208260091 /nfs/dbraw/zinc/26/00/91/208260091.db2.gz PJCRXMUONICYSZ-AVRDEDQJSA-N 1 0 382.508 2.790 10 0 GFAERO COc1cccc(-c2noc(-c3ccc(N4CCC([NH3+])CC4)nc3)n2)c1OC ZINC000072161396 136167309 /nfs/dbraw/zinc/16/73/09/136167309.db2.gz XRDWBRWEILBKRQ-UHFFFAOYSA-N 1 0 381.436 2.743 10 0 GFAERO C[C@H](NC(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1)c1ccc(Br)cc1 ZINC000116318177 551212013 /nfs/dbraw/zinc/21/20/13/551212013.db2.gz WVYDJPIFYRLPGZ-ZFWWWQNUSA-N 1 0 391.313 2.849 10 0 GFAERO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000121855276 551244476 /nfs/dbraw/zinc/24/44/76/551244476.db2.gz RGSPIUAWNZXCGQ-AWEZNQCLSA-N 1 0 384.318 2.789 10 0 GFAERO CCOc1c(Br)cc(CN2CCO[C@@H](C[NH+](C)C)C2)cc1OC ZINC000128107161 551346750 /nfs/dbraw/zinc/34/67/50/551346750.db2.gz YZXBQFOUYRUZQH-AWEZNQCLSA-N 1 0 387.318 2.619 10 0 GFAERO COC[C@@H](C)C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000136695238 551390007 /nfs/dbraw/zinc/39/00/07/551390007.db2.gz FQZUZJJQWFDUNB-CQSZACIVSA-N 1 0 399.329 2.691 10 0 GFAERO CC(C)[N@H+]1C[C@H](NC(=O)c2csc(I)c2)[C@@H](C)C1 ZINC000155369468 551498488 /nfs/dbraw/zinc/49/84/88/551498488.db2.gz DEGGNZHWTXMPCF-ONGXEEELSA-N 1 0 378.279 2.811 10 0 GFAERO Cn1cc(NC(=O)NCCC[NH2+]C2CCCCC2)cc(Br)c1=O ZINC000156142312 551515572 /nfs/dbraw/zinc/51/55/72/551515572.db2.gz WTZSRJJPWGVDFX-UHFFFAOYSA-N 1 0 385.306 2.582 10 0 GFAERO CCC[C@H](C(=O)NCCC(=O)Nc1cc(Br)ccc1C)[NH+](C)C ZINC000161872763 551599735 /nfs/dbraw/zinc/59/97/35/551599735.db2.gz DYYGZQLPHJOPLD-OAHLLOKOSA-N 1 0 384.318 2.933 10 0 GFAERO C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000163060987 551615746 /nfs/dbraw/zinc/61/57/46/551615746.db2.gz DHUYJFHWJPPRLY-ZDUSSCGKSA-N 1 0 380.897 2.711 10 0 GFAERO C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000170866860 551641703 /nfs/dbraw/zinc/64/17/03/551641703.db2.gz OFHJEFOQEADXOH-JKSUJKDBSA-N 1 0 384.307 2.761 10 0 GFAERO C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000170866837 551641913 /nfs/dbraw/zinc/64/19/13/551641913.db2.gz NDJXQDZPCRCIMV-BBRMVZONSA-N 1 0 384.307 2.761 10 0 GFAERO Cn1cc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(Br)cc2)cn1 ZINC000171412694 551655311 /nfs/dbraw/zinc/65/53/11/551655311.db2.gz GFMFBTJFIDIIJE-RDJZCZTQSA-N 1 0 380.286 2.759 10 0 GFAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(Br)cc3)C2=O)n(C)n1 ZINC000173850126 552094319 /nfs/dbraw/zinc/09/43/19/552094319.db2.gz BZDIUHITBXMZOW-HNNXBMFYSA-N 1 0 377.286 2.776 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000175544052 552124423 /nfs/dbraw/zinc/12/44/23/552124423.db2.gz RFDQWCJOFMQBOC-CQSZACIVSA-N 1 0 397.313 2.706 10 0 GFAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000175897714 552131465 /nfs/dbraw/zinc/13/14/65/552131465.db2.gz NBMFTKQZKIFOJM-LBPRGKRZSA-N 1 0 380.539 2.903 10 0 GFAERO C[C@@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000182515010 552286709 /nfs/dbraw/zinc/28/67/09/552286709.db2.gz RCOPBKQZXBZOJT-CHWSQXEVSA-N 1 0 380.432 2.907 10 0 GFAERO COC(=O)c1cc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccc1Br ZINC000182591912 552288194 /nfs/dbraw/zinc/28/81/94/552288194.db2.gz SRABNTGXBHCBEA-GFCCVEGCSA-N 1 0 382.258 2.548 10 0 GFAERO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)s1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000182976149 552297567 /nfs/dbraw/zinc/29/75/67/552297567.db2.gz DBAGBYWZKOXNQS-UWVGGRQHSA-N 1 0 387.914 2.727 10 0 GFAERO OCC[C@@]1(C[NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)CCOC1 ZINC000186251314 552382870 /nfs/dbraw/zinc/38/28/70/552382870.db2.gz DAKCQDJAPVDCOJ-MSOLQXFVSA-N 1 0 392.297 2.707 10 0 GFAERO COCCN1CCN(C(=O)NCc2cc(Br)ccc2C)C[C@@H]1C ZINC000187576196 552419362 /nfs/dbraw/zinc/41/93/62/552419362.db2.gz LLEIDNWAFCAWAG-AWEZNQCLSA-N 1 0 384.318 2.620 10 0 GFAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000189875494 552481858 /nfs/dbraw/zinc/48/18/58/552481858.db2.gz SEJSECDOPMFRFY-CQSZACIVSA-N 1 0 387.933 2.985 10 0 GFAERO COC(=O)c1sc(N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)nc1Cl ZINC000190450362 552496841 /nfs/dbraw/zinc/49/68/41/552496841.db2.gz FFFJXUWIMXFLKU-ZDUSSCGKSA-N 1 0 380.901 2.936 10 0 GFAERO CNc1snc(C)c1C(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190559601 552501328 /nfs/dbraw/zinc/50/13/28/552501328.db2.gz ULMPAXMQAFDSMR-CYBMUJFWSA-N 1 0 379.555 2.852 10 0 GFAERO Cc1ccc([C@H](CNC(=O)N2CCSC[C@H](C)C2)N2CCOCC2)s1 ZINC000192385601 552561410 /nfs/dbraw/zinc/56/14/10/552561410.db2.gz PEZRHYRVRXXFDX-ZBFHGGJFSA-N 1 0 383.583 2.824 10 0 GFAERO C[C@@H]1CN([C@H](CNC(=O)N2CCSC[C@@H](C)C2)c2cccs2)CCO1 ZINC000192385645 552561534 /nfs/dbraw/zinc/56/15/34/552561534.db2.gz QVQDDIXXDUMTCN-ARFHVFGLSA-N 1 0 383.583 2.904 10 0 GFAERO Cc1ccc(I)c(C(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000194602417 553025263 /nfs/dbraw/zinc/02/52/63/553025263.db2.gz DDJVGPIHMWAWSG-CYBMUJFWSA-N 1 0 384.261 2.910 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H](C)c2ccc(Br)cc2)C[C@H]1C ZINC000245927654 553099886 /nfs/dbraw/zinc/09/98/86/553099886.db2.gz JCYFUFGKCCOAJU-ZNMIVQPWSA-N 1 0 383.330 2.856 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c(F)cccc1I ZINC000246023550 553101123 /nfs/dbraw/zinc/10/11/23/553101123.db2.gz OCJZUOLCHXUYTB-MNOVXSKESA-N 1 0 388.224 2.739 10 0 GFAERO C[C@H](O)CN1CCN(C(=O)C(C)(C)c2ccc(Br)cc2)C[C@@H]1C ZINC000246596667 553110818 /nfs/dbraw/zinc/11/08/18/553110818.db2.gz BBRKAPADSONSDT-KBPBESRZSA-N 1 0 383.330 2.640 10 0 GFAERO COc1cc(Br)c(CN2C[C@H](C)[C@H](N3CCOCC3)C2)cc1OC ZINC000246631348 553110867 /nfs/dbraw/zinc/11/08/67/553110867.db2.gz ZLKJHFHBKHFLRS-XJKSGUPXSA-N 1 0 399.329 2.619 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(I)c1 ZINC000246996025 553117506 /nfs/dbraw/zinc/11/75/06/553117506.db2.gz PPAKHIDZWGSVSD-GJZGRUSLSA-N 1 0 384.261 2.990 10 0 GFAERO O[C@@H](COc1cccc(Br)c1)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247486378 553122936 /nfs/dbraw/zinc/12/29/36/553122936.db2.gz KOUXWDWPUCMATF-FUHWJXTLSA-N 1 0 397.357 2.997 10 0 GFAERO CC[C@@H]1CN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000247573416 553124058 /nfs/dbraw/zinc/12/40/58/553124058.db2.gz HKYCLVWDSOSFRB-IMJJTQAJSA-N 1 0 391.339 2.510 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC000247813714 553125876 /nfs/dbraw/zinc/12/58/76/553125876.db2.gz VPSSGILZUPUFIB-RDBSUJKOSA-N 1 0 388.339 2.558 10 0 GFAERO CCN1CC[C@H](NC(=O)NCC(F)(F)CO)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248721383 553134017 /nfs/dbraw/zinc/13/40/17/553134017.db2.gz LZTBMPMYDYNHJV-UONOGXRCSA-N 1 0 379.810 2.541 10 0 GFAERO CC(C)(C)c1nc2ccc(S(=O)(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cc2s1 ZINC000252977925 553150523 /nfs/dbraw/zinc/15/05/23/553150523.db2.gz WDGYVSGCUNVICH-FPMFFAJLSA-N 1 0 379.551 2.952 10 0 GFAERO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2)C[C@H]1c1ccccc1 ZINC000261837811 553160424 /nfs/dbraw/zinc/16/04/24/553160424.db2.gz ZNBWOJDTWHUOPO-PBHICJAKSA-N 1 0 395.322 2.812 10 0 GFAERO COc1c(Br)cc(Br)cc1CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261944128 553163629 /nfs/dbraw/zinc/16/36/29/553163629.db2.gz FBPLVWBQYKNTOZ-UFBFGSQYSA-N 1 0 378.108 2.999 10 0 GFAERO CN([C@H]1CCC[NH2+]CC1)S(=O)(=O)c1c(Cl)cccc1Br ZINC000312805562 563436868 /nfs/dbraw/zinc/43/68/68/563436868.db2.gz HRJYMXZKKFFVPH-JTQLQIEISA-N 1 0 381.723 2.865 10 0 GFAERO C[C@H]([NH2+]CCn1cc(Br)cn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000285507446 563524467 /nfs/dbraw/zinc/52/44/67/563524467.db2.gz AYLTZLRKPYZCEY-STQMWFEESA-N 1 0 387.322 2.881 10 0 GFAERO C[C@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@H]1C[NH3+] ZINC000602592236 565856648 /nfs/dbraw/zinc/85/66/48/565856648.db2.gz IEPFKSXDSPXDKG-DTWKUNHWSA-N 1 0 378.641 2.611 10 0 GFAERO CCCc1ncc(C[NH2+][C@@H]2CCCc3nc(N4CCC(CO)CC4)ncc32)cn1 ZINC000015071817 570723787 /nfs/dbraw/zinc/72/37/87/570723787.db2.gz AUDGYNFYSPTGSN-LJQANCHMSA-N 1 0 396.539 2.595 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000064764769 654875409 /nfs/dbraw/zinc/87/54/09/654875409.db2.gz MDNGZKUZANYHTC-NSHDSACASA-N 1 0 386.290 2.707 10 0 GFAERO CC[C@H]1CN(C[C@H](O)COc2c(Cl)cccc2Cl)CC[N@@H+]1CCOC ZINC000106114795 655103520 /nfs/dbraw/zinc/10/35/20/655103520.db2.gz SGXHCLZBFRPOGV-GJZGRUSLSA-N 1 0 391.339 2.776 10 0 GFAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)COc1ccc(C=O)cc1Br ZINC000173833058 655182173 /nfs/dbraw/zinc/18/21/73/655182173.db2.gz DUCQMOFTWSLWEC-CQSZACIVSA-N 1 0 385.302 2.733 10 0 GFAERO CC[C@H]1CN(C(=O)c2cc(Br)cn2C(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000174596523 655204735 /nfs/dbraw/zinc/20/47/35/655204735.db2.gz HAJPJYUUHZXFQO-HIFRSBDPSA-N 1 0 386.334 2.749 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(Br)ccc1C ZINC000176899050 655259781 /nfs/dbraw/zinc/25/97/81/655259781.db2.gz BXOWEGMDBZVTOD-CQSZACIVSA-N 1 0 382.302 2.639 10 0 GFAERO CC[C@@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)CC[N@@H+]1CCOC ZINC000117307944 655263909 /nfs/dbraw/zinc/26/39/09/655263909.db2.gz GJCVYLJWMZMVPJ-CQSZACIVSA-N 1 0 387.293 2.700 10 0 GFAERO CC[C@@H]1CN(Cn2ncc3c2cccc3Br)CC[N@@H+]1CCOC ZINC000117864267 655269019 /nfs/dbraw/zinc/26/90/19/655269019.db2.gz ZESSDDZFMGZDMO-CQSZACIVSA-N 1 0 381.318 2.799 10 0 GFAERO C[C@@H](O)C[N@@H+]1CCN(CC2=Cc3cc(Br)ccc3OC2)C[C@@H]1C ZINC000120644673 655341152 /nfs/dbraw/zinc/34/11/52/655341152.db2.gz YRNHTSZPLPNSEL-UONOGXRCSA-N 1 0 381.314 2.612 10 0 GFAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000237062416 655425488 /nfs/dbraw/zinc/42/54/88/655425488.db2.gz BQMXLFHATXSBJB-XJKSGUPXSA-N 1 0 383.330 2.987 10 0 GFAERO COc1cc(Br)c(S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1Cl ZINC000237201210 655425776 /nfs/dbraw/zinc/42/57/76/655425776.db2.gz QOMUQPNYGNRWPP-KCJUWKMLSA-N 1 0 397.722 2.517 10 0 GFAERO Brc1csc(-c2noc(-c3ncn([C@@H]4CCC[NH2+]C4)n3)n2)c1 ZINC000261791499 655442357 /nfs/dbraw/zinc/44/23/57/655442357.db2.gz OOCFXUYHUAHKKL-SECBINFHSA-N 1 0 381.259 2.744 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]Cc2ccc(Br)cc2)C1 ZINC000702781903 655521850 /nfs/dbraw/zinc/52/18/50/655521850.db2.gz AAYZLCADZGXICY-DZGCQCFKSA-N 1 0 385.302 2.767 10 0 GFAERO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH+]1CCCCCC1)C2 ZINC000014733782 210124849 /nfs/dbraw/zinc/12/48/49/210124849.db2.gz HICJINXLRBHFKW-INIZCTEOSA-N 1 0 376.570 2.825 10 0 GFAERO CC1(C)Cc2nc(N3CCC(O)CC3)ncc2[C@@H]([NH2+]C2CCSCC2)C1 ZINC000012058660 209904014 /nfs/dbraw/zinc/90/40/14/209904014.db2.gz NRIIGLIFZUZPQP-KRWDZBQOSA-N 1 0 376.570 2.936 10 0 GFAERO CN1CCC[N@H+](CCC(=O)N2CCC(Oc3ccccc3Cl)CC2)CC1 ZINC000077522163 211135950 /nfs/dbraw/zinc/13/59/50/211135950.db2.gz BCXYVJZXXHSETH-UHFFFAOYSA-N 1 0 379.932 2.737 10 0 GFAERO O=C1CCCN1[C@H]1CCC[N@H+](Cc2c(-c3ccccc3)nc3ncccn23)C1 ZINC000071764952 211060634 /nfs/dbraw/zinc/06/06/34/211060634.db2.gz RELCHXMDUZIZAJ-SFHVURJKSA-N 1 0 375.476 2.983 10 0 GFAERO Cc1cc(CNc2nc(-c3ccc(C(N)=O)cc3)nc3c2CC[NH2+]C3)cnc1C ZINC000071768025 211060515 /nfs/dbraw/zinc/06/05/15/211060515.db2.gz LNSTTXVVUJOQLE-UHFFFAOYSA-N 1 0 388.475 2.512 10 0 GFAERO Cc1cccc2cc(CN(CC[NH+](C)C)C(=O)[C@@H]3CCCO3)c(N(C)C)nc12 ZINC000020451957 210336634 /nfs/dbraw/zinc/33/66/34/210336634.db2.gz JMAPGCRITNQSNO-IBGZPJMESA-N 1 0 384.524 2.678 10 0 GFAERO O=C(NCCc1cccnc1)c1ccc(N2CC[NH2+][C@@H](c3ccccc3)C2)nc1 ZINC000065256105 136161990 /nfs/dbraw/zinc/16/19/90/136161990.db2.gz LOBBOLDVMTZVIV-OAQYLSRUSA-N 1 0 387.487 2.600 10 0 GFAERO [NH3+]CC1(C(=O)Nc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc32)CC1 ZINC000089223230 136175474 /nfs/dbraw/zinc/17/54/74/136175474.db2.gz MUQKOVQLILIBKJ-UHFFFAOYSA-N 1 0 384.871 2.795 10 0 GFAERO [NH3+][C@H]1CCCN(c2nc3ccsc3c(=O)n2Cc2cc(F)ccc2F)C1 ZINC000057344542 527402223 /nfs/dbraw/zinc/40/22/23/527402223.db2.gz HJVVURXGQAESDG-ZDUSSCGKSA-N 1 0 376.432 2.712 10 0 GFAERO C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000057679610 551181386 /nfs/dbraw/zinc/18/13/86/551181386.db2.gz RCYIBMHISXOCJQ-RYUDHWBXSA-N 1 0 381.885 2.665 10 0 GFAERO CN(Cc1cc(O)ccc1Br)C1CC[NH+](CCn2cccn2)CC1 ZINC000121228687 551230304 /nfs/dbraw/zinc/23/03/04/551230304.db2.gz YJLXLLYAERNYGS-UHFFFAOYSA-N 1 0 393.329 2.948 10 0 GFAERO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000121813148 551243246 /nfs/dbraw/zinc/24/32/46/551243246.db2.gz YVBHTEJKYXQMGP-ZDUSSCGKSA-N 1 0 382.302 2.674 10 0 GFAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2c(F)cccc2Br)CC1 ZINC000151151211 551407910 /nfs/dbraw/zinc/40/79/10/551407910.db2.gz ZXCMNCSDZXSHTN-LBPRGKRZSA-N 1 0 387.293 2.753 10 0 GFAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000171083479 551646199 /nfs/dbraw/zinc/64/61/99/551646199.db2.gz OPUPEDZIXCSYDF-SECBINFHSA-N 1 0 395.191 2.737 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncnc2ccc(I)cc21 ZINC000172760290 551686509 /nfs/dbraw/zinc/68/65/09/551686509.db2.gz HGQOFPQZSZOEMW-WCQYABFASA-N 1 0 394.260 2.907 10 0 GFAERO C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1c(Cl)ccc(F)c1Cl ZINC000174148226 552100854 /nfs/dbraw/zinc/10/08/54/552100854.db2.gz MCMBVMDOXYDDGR-WDEREUQCSA-N 1 0 390.286 2.720 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(Br)ccc1OC ZINC000174536724 552106278 /nfs/dbraw/zinc/10/62/78/552106278.db2.gz HPLWOXNRPNTQGF-CYBMUJFWSA-N 1 0 391.331 2.563 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000175399090 552120672 /nfs/dbraw/zinc/12/06/72/552120672.db2.gz TZJLYMPFJQNXDT-ZDUSSCGKSA-N 1 0 377.913 2.572 10 0 GFAERO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000175893069 552131447 /nfs/dbraw/zinc/13/14/47/552131447.db2.gz DVSFORACCUSEEB-LBPRGKRZSA-N 1 0 390.281 2.601 10 0 GFAERO C[C@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1N1CCOCC1 ZINC000177229041 552151727 /nfs/dbraw/zinc/15/17/27/552151727.db2.gz LUAYLAOOPGJKMX-GUYCJALGSA-N 1 0 386.323 2.975 10 0 GFAERO C[C@H](NC(=O)N(C)CCCN1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000182319353 552280843 /nfs/dbraw/zinc/28/08/43/552280843.db2.gz MIGBCVKCYMWJRP-HNNXBMFYSA-N 1 0 397.361 2.789 10 0 GFAERO COC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000182394801 552283013 /nfs/dbraw/zinc/28/30/13/552283013.db2.gz ATMJXLJSCHUECE-WFASDCNBSA-N 1 0 385.302 2.804 10 0 GFAERO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)c1ccc(Cl)s1 ZINC000182962752 552297299 /nfs/dbraw/zinc/29/72/99/552297299.db2.gz SBYPJPRKPFFPNN-SECBINFHSA-N 1 0 377.853 2.917 10 0 GFAERO CC[C@@H](Cc1ccccc1Br)[N@H+](C)C[C@H](O)CN1CCCC1=O ZINC000185929095 552374340 /nfs/dbraw/zinc/37/43/40/552374340.db2.gz ZHHNBNOLGMFHGR-HOTGVXAUSA-N 1 0 383.330 2.685 10 0 GFAERO C[C@@H](C[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1)N1CCOCC1 ZINC000186096044 552378615 /nfs/dbraw/zinc/37/86/15/552378615.db2.gz XBUSANQGLRXKOH-KBXCAEBGSA-N 1 0 391.313 2.639 10 0 GFAERO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000186612189 552392391 /nfs/dbraw/zinc/39/23/91/552392391.db2.gz ZMSUHXMEHBPSJW-JTQLQIEISA-N 1 0 390.962 2.816 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000187662072 552421640 /nfs/dbraw/zinc/42/16/40/552421640.db2.gz UTDPQKOGRMRIDI-GFCCVEGCSA-N 1 0 377.794 2.898 10 0 GFAERO CC[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC[N@@H+]1CCOC ZINC000189660777 552476984 /nfs/dbraw/zinc/47/69/84/552476984.db2.gz RGGNSLRXPBMVOX-GFCCVEGCSA-N 1 0 382.917 2.974 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000190309038 552492465 /nfs/dbraw/zinc/49/24/65/552492465.db2.gz LPUZWOANAAWLIF-ZDUSSCGKSA-N 1 0 384.318 2.851 10 0 GFAERO Cc1[nH]c(=S)sc1CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190663654 552505426 /nfs/dbraw/zinc/50/54/26/552505426.db2.gz ZMNLQMDCKPWAND-HNNXBMFYSA-N 1 0 376.551 2.658 10 0 GFAERO Cc1cc(S(=O)(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c(C)s1 ZINC000192940955 552978314 /nfs/dbraw/zinc/97/83/14/552978314.db2.gz SPYDKBDBYAILGB-KRWDZBQOSA-N 1 0 379.551 2.903 10 0 GFAERO CCCCN(C(=O)C[NH2+][C@@H](C)c1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 ZINC000193111959 552983860 /nfs/dbraw/zinc/98/38/60/552983860.db2.gz ZAGYINXGQUFWBU-STQMWFEESA-N 1 0 392.974 2.868 10 0 GFAERO CN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000226464330 553061253 /nfs/dbraw/zinc/06/12/53/553061253.db2.gz SSOCDODKFCUNKC-SNVBAGLBSA-N 1 0 381.723 2.865 10 0 GFAERO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000237116406 553074835 /nfs/dbraw/zinc/07/48/35/553074835.db2.gz NYRQQILETHHLPT-WBVHZDCISA-N 1 0 383.330 2.984 10 0 GFAERO C[C@@H]1C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C[C@H]1N1CCOCC1 ZINC000246385244 553107043 /nfs/dbraw/zinc/10/70/43/553107043.db2.gz ILBAYXOPBCRIBL-CZUORRHYSA-N 1 0 386.323 2.975 10 0 GFAERO Cc1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c(Br)c1 ZINC000246496081 553108302 /nfs/dbraw/zinc/10/83/02/553108302.db2.gz RSDYSEPJWOOPQT-DOMZBBRYSA-N 1 0 382.302 2.541 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000247528836 553123383 /nfs/dbraw/zinc/12/33/83/553123383.db2.gz XHYAKDGDFZJZAY-JSGCOSHPSA-N 1 0 386.359 2.638 10 0 GFAERO CCOCC[N@@H+]1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)C[C@H]1C ZINC000247601647 553124233 /nfs/dbraw/zinc/12/42/33/553124233.db2.gz LBSWKFHFGZORAY-HUUCEWRRSA-N 1 0 391.339 2.776 10 0 GFAERO CC[C@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC[N@@H+]1CCOC ZINC000247769868 553124928 /nfs/dbraw/zinc/12/49/28/553124928.db2.gz OTQWAWYTFMYKJS-JKSUJKDBSA-N 1 0 391.339 2.776 10 0 GFAERO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247809494 553125763 /nfs/dbraw/zinc/12/57/63/553125763.db2.gz UKXRSBHIJNWWNF-HIFRSBDPSA-N 1 0 385.295 2.737 10 0 GFAERO C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3cccc(Br)c3)CC[C@H]21 ZINC000248034560 553127001 /nfs/dbraw/zinc/12/70/01/553127001.db2.gz REZAPSXVJFPVCJ-QGPMSJSTSA-N 1 0 383.330 2.605 10 0 GFAERO CC[C@H]1CN(C(=O)c2cc(Cl)ccc2OC(F)F)CC[N@@H+]1C[C@H](C)O ZINC000248345876 553128738 /nfs/dbraw/zinc/12/87/38/553128738.db2.gz NHEJKASAQGBXTQ-AAEUAGOBSA-N 1 0 376.831 2.859 10 0 GFAERO Cc1noc([C@H]2CCC[N@H+](C[C@@H](O)COc3cccc(Br)c3)C2)n1 ZINC000249767622 553146028 /nfs/dbraw/zinc/14/60/28/553146028.db2.gz QGSOADMXXNEGBA-DZGCQCFKSA-N 1 0 396.285 2.760 10 0 GFAERO CC(C)(C)c1nc2ccc(S(=O)(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)cc2s1 ZINC000252977926 553150445 /nfs/dbraw/zinc/15/04/45/553150445.db2.gz WDGYVSGCUNVICH-IACUBPJLSA-N 1 0 379.551 2.952 10 0 GFAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000261740827 553158137 /nfs/dbraw/zinc/15/81/37/553158137.db2.gz LUMGTPUITVUOOD-VXNVDRBHSA-N 1 0 380.176 2.883 10 0 GFAERO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)Oc1ccccc1Br ZINC000261934878 553162858 /nfs/dbraw/zinc/16/28/58/553162858.db2.gz MDLSGBGDBCKHBS-YALNPMBYSA-N 1 0 383.330 2.963 10 0 GFAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3c(F)ccc(I)c3F)C[C@H]12 ZINC000262045429 553164679 /nfs/dbraw/zinc/16/46/79/553164679.db2.gz YXMOYNRHGUIXJG-VYUIOLGVSA-N 1 0 378.204 2.739 10 0 GFAERO COc1cc(I)c(Cl)cc1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000423662307 563362920 /nfs/dbraw/zinc/36/29/20/563362920.db2.gz HJWWMGROBKIETH-WRWORJQWSA-N 1 0 394.640 2.515 10 0 GFAERO COCCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)COc1ccccc1 ZINC000036095901 570535476 /nfs/dbraw/zinc/53/54/76/570535476.db2.gz OUOXYNQYHSVWIO-IBGZPJMESA-N 1 0 389.492 2.982 10 0 GFAERO C[N@@H+]1CCC[C@@H](CN(CCc2ccccc2)C(=O)CCCN2CCCC2=O)C1 ZINC000012057945 570603494 /nfs/dbraw/zinc/60/34/94/570603494.db2.gz HNXPQEIQXURQSH-OAQYLSRUSA-N 1 0 385.552 2.802 10 0 GFAERO Cc1nc(C)c(Cc2cccc(F)c2)c(N2CC[NH+](C[C@@H](O)C(C)C)CC2)n1 ZINC000036340169 570625258 /nfs/dbraw/zinc/62/52/58/570625258.db2.gz XYGMEVZGOQDLSY-OAQYLSRUSA-N 1 0 386.515 2.962 10 0 GFAERO CC(=O)N1CCc2ccccc2[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000065230763 570740666 /nfs/dbraw/zinc/74/06/66/570740666.db2.gz VCMHCGIAXWBQPU-QHCPKHFHSA-N 1 0 391.515 2.913 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c(F)cccc1I ZINC000123049820 654751532 /nfs/dbraw/zinc/75/15/32/654751532.db2.gz OCJZUOLCHXUYTB-GHMZBOCLSA-N 1 0 388.224 2.739 10 0 GFAERO Ic1cc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)cs1 ZINC000124464627 654776221 /nfs/dbraw/zinc/77/62/21/654776221.db2.gz ZPKUTBNSXGISKX-MRVPVSSYSA-N 1 0 375.235 2.945 10 0 GFAERO Cc1cccc(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1Br ZINC000125630157 654800115 /nfs/dbraw/zinc/80/01/15/654800115.db2.gz HBFNYYOWPSIULH-AWEZNQCLSA-N 1 0 383.330 2.922 10 0 GFAERO CC[C@@H]1CN(C(=O)c2cc(C)c(Br)cc2C)CC[N@@H+]1C[C@@H](C)O ZINC000130211280 654884043 /nfs/dbraw/zinc/88/40/43/654884043.db2.gz GACULNFSFGIAMF-HUUCEWRRSA-N 1 0 383.330 2.983 10 0 GFAERO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc(I)cc1Cl ZINC000130962693 654894231 /nfs/dbraw/zinc/89/42/31/654894231.db2.gz LSZWRBGOPVPXOZ-SNVBAGLBSA-N 1 0 378.641 2.898 10 0 GFAERO Cc1csc([C@@H]2CCC[N@H+](CCC(=O)Nc3sccc3C(N)=O)C2)n1 ZINC000103472994 655073208 /nfs/dbraw/zinc/07/32/08/655073208.db2.gz WITGNWDOBZBJOC-GFCCVEGCSA-N 1 0 378.523 2.820 10 0 GFAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1ccccc1Br ZINC000111799412 655177453 /nfs/dbraw/zinc/17/74/53/655177453.db2.gz OCORLCWUDWGEIH-ZIAGYGMSSA-N 1 0 384.318 2.920 10 0 GFAERO CC(C)[N@H+]1C[C@H](NS(=O)(=O)c2cc(Br)cnc2Cl)[C@@H](C)C1 ZINC000173884534 655183870 /nfs/dbraw/zinc/18/38/70/655183870.db2.gz HINAGOQUVWYLLA-ONGXEEELSA-N 1 0 396.738 2.505 10 0 GFAERO CC[C@H]1CN(C(=O)CCc2cccc(Br)c2)CC[N@@H+]1C[C@@H](C)O ZINC000174605007 655204967 /nfs/dbraw/zinc/20/49/67/655204967.db2.gz ZATOLMFBABBLRF-PBHICJAKSA-N 1 0 383.330 2.685 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C)Cc1ccccc1Br ZINC000113270038 655206442 /nfs/dbraw/zinc/20/64/42/655206442.db2.gz IAQYIXLQULVJCR-GOEBONIOSA-N 1 0 380.330 2.576 10 0 GFAERO Cc1c(Br)cccc1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000176445117 655245631 /nfs/dbraw/zinc/24/56/31/655245631.db2.gz HUUNSKPMZBPQEF-ZDUSSCGKSA-N 1 0 383.330 2.922 10 0 GFAERO COc1ccc(Br)cc1CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000176520779 655249326 /nfs/dbraw/zinc/24/93/26/655249326.db2.gz LPPYPPIGOGXOMV-WFASDCNBSA-N 1 0 384.318 2.986 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(I)c1 ZINC000177094391 655268313 /nfs/dbraw/zinc/26/83/13/655268313.db2.gz XAMOXQOOZBGMTR-BXUZGUMPSA-N 1 0 385.249 2.992 10 0 GFAERO COc1ccc(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1Br ZINC000119217491 655293524 /nfs/dbraw/zinc/29/35/24/655293524.db2.gz NLSSLUWVYLFPOC-DOMZBBRYSA-N 1 0 384.318 2.986 10 0 GFAERO CCOCC[N@@H+]1CCN(C(=O)Nc2cncc(Br)c2)C[C@@H]1CC ZINC000120317332 655335098 /nfs/dbraw/zinc/33/50/98/655335098.db2.gz ICUNCROIHGHYTE-HNNXBMFYSA-N 1 0 385.306 2.809 10 0 GFAERO O=C(/C=C/c1ccc(I)o1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195089205 655418881 /nfs/dbraw/zinc/41/88/81/655418881.db2.gz GQMDBFXLBKZHEJ-PZBABLGHSA-N 1 0 386.233 2.594 10 0 GFAERO COCCOc1cc(C(=O)NCCC[NH+](C)C)cc2oc(Br)cc21 ZINC000223647946 655422341 /nfs/dbraw/zinc/42/23/41/655422341.db2.gz GTWBPFRLOLOMKF-UHFFFAOYSA-N 1 0 399.285 2.902 10 0 GFAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(I)c(Cl)c1 ZINC000226270671 655422625 /nfs/dbraw/zinc/42/26/25/655422625.db2.gz ZBHYOESVNRSIHF-BXKDBHETSA-N 1 0 378.641 2.802 10 0 GFAERO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000237111320 655425654 /nfs/dbraw/zinc/42/56/54/655425654.db2.gz NLPVOTZOAXUXSE-BXUZGUMPSA-N 1 0 383.286 2.664 10 0 GFAERO [NH3+]C[C@@H]1CCCN1C(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000237963624 655426862 /nfs/dbraw/zinc/42/68/62/655426862.db2.gz ZPNVDXYUMMNBHZ-NSHDSACASA-N 1 0 398.166 2.873 10 0 GFAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000246747437 655430585 /nfs/dbraw/zinc/43/05/85/655430585.db2.gz ZNDXXOGITLURBF-OFERSUALSA-N 1 0 387.343 2.581 10 0 GFAERO CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)C1 ZINC000247081244 655431122 /nfs/dbraw/zinc/43/11/22/655431122.db2.gz OXFAVJRKAABJKU-OCCSQVGLSA-N 1 0 376.469 2.826 10 0 GFAERO C[C@H]1[C@H]([NH3+])CCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000261587233 655441454 /nfs/dbraw/zinc/44/14/54/655441454.db2.gz JJKJZBUBCDRFNQ-QUBYGPBYSA-N 1 0 388.114 2.866 10 0 GFAERO C[NH2+][C@H](C)CNC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000261663328 655441758 /nfs/dbraw/zinc/44/17/58/655441758.db2.gz GCZARPFPVZVRBH-GFCCVEGCSA-N 1 0 391.313 2.851 10 0 GFAERO C[C@H](NC(=O)C1(n2cccn2)CC[NH2+]CC1)c1cccc(Br)c1 ZINC000261923517 655442916 /nfs/dbraw/zinc/44/29/16/655442916.db2.gz KSOSHGWCTFYTCJ-ZDUSSCGKSA-N 1 0 377.286 2.602 10 0 GFAERO COc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)N4CCCC4)nn3)C2)c(C)c1C ZINC000014984731 210141106 /nfs/dbraw/zinc/14/11/06/210141106.db2.gz SEVCFGRXGCHITB-LJQANCHMSA-N 1 0 397.523 2.977 10 0 GFAERO Cn1cc(C[NH+]2CCC(CCC(=O)N3CCOCC3)CC2)c(-c2ccccc2)n1 ZINC000014963569 210133740 /nfs/dbraw/zinc/13/37/40/210133740.db2.gz RLVHBRJGPBSIKX-UHFFFAOYSA-N 1 0 396.535 2.938 10 0 GFAERO Cc1ccc(C[NH2+][C@H]2CCc3c(c(C(=O)NCCc4ccccc4)nn3C)C2)o1 ZINC000014751424 210127129 /nfs/dbraw/zinc/12/71/29/210127129.db2.gz PRQQETIMJIRFKS-SFHVURJKSA-N 1 0 392.503 2.941 10 0 GFAERO CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]CCCSC)C2 ZINC000014744890 210126291 /nfs/dbraw/zinc/12/62/91/210126291.db2.gz SEBLSGJSKPDIEK-HNNXBMFYSA-N 1 0 396.626 2.682 10 0 GFAERO Cc1cccc(C[NH2+][C@H]2CCc3c(c(C(=O)N(C)Cc4ccco4)nn3C)C2)n1 ZINC000014749137 210126370 /nfs/dbraw/zinc/12/63/70/210126370.db2.gz KLGNHRGHCBPYAD-INIZCTEOSA-N 1 0 393.491 2.636 10 0 GFAERO Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]CCC1=CCCCC1)C2 ZINC000014743531 210124226 /nfs/dbraw/zinc/12/42/26/210124226.db2.gz BHNJNTIJBNNHGZ-KRWDZBQOSA-N 1 0 388.581 2.947 10 0 GFAERO COc1ccccc1C[NH2+][C@H]1CCc2c(c(C(=O)N3CCCCC3)nn2C)C1 ZINC000014731860 210124127 /nfs/dbraw/zinc/12/41/27/210124127.db2.gz GURFGSILDYAMJE-KRWDZBQOSA-N 1 0 382.508 2.702 10 0 GFAERO Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([N@H+](C)Cc1ccsc1)C2 ZINC000014535487 210119949 /nfs/dbraw/zinc/11/99/49/210119949.db2.gz HNRHLLMIPVAULA-OAHLLOKOSA-N 1 0 390.578 2.660 10 0 GFAERO COc1cc2[nH+]c(N3CCN(C(=O)c4ccccc4)CC3)cc(N)c2cc1OC ZINC000025983903 209241301 /nfs/dbraw/zinc/24/13/01/209241301.db2.gz OSYWJTLQNPVIKQ-UHFFFAOYSA-N 1 0 392.459 2.797 10 0 GFAERO CC(C)[N@H+](CCN1CCOCC1)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000022596226 209237036 /nfs/dbraw/zinc/23/70/36/209237036.db2.gz DLSSYXNMOPNCBD-INIZCTEOSA-N 1 0 391.339 2.776 10 0 GFAERO O=S(=O)(c1ccc(C[NH2+]C2CCCC2)cc1)N1CCN(C2CCCC2)CC1 ZINC000098178638 211379104 /nfs/dbraw/zinc/37/91/04/211379104.db2.gz LZXTXDDKWPOQFH-UHFFFAOYSA-N 1 0 391.581 2.968 10 0 GFAERO Cc1cc2cc(CNC(=O)C[C@H]3C(=O)NCC[N@H+]3CC3CCCCC3)ccc2[nH]1 ZINC000020911796 210369457 /nfs/dbraw/zinc/36/94/57/210369457.db2.gz QHWDZGQBRYSWSS-NRFANRHFSA-N 1 0 396.535 2.863 10 0 GFAERO COC[C@H](C)[NH+]1CCC(Oc2cccc(C(=O)NCc3ccccn3)c2)CC1 ZINC000011934073 221137850 /nfs/dbraw/zinc/13/78/50/221137850.db2.gz OQXMPXXVHJOIHL-KRWDZBQOSA-N 1 0 383.492 2.890 10 0 GFAERO CN(C)c1cn[nH+]c(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000224312390 136206783 /nfs/dbraw/zinc/20/67/83/136206783.db2.gz QPEBUIBGVDAFRJ-UHFFFAOYSA-N 1 0 394.401 2.916 10 0 GFAERO CCCCc1c(C)[nH+]c(N)nc1N1CCC(C(=O)NCc2ccccn2)CC1 ZINC000091998134 535077703 /nfs/dbraw/zinc/07/77/03/535077703.db2.gz JLMYGZCFIMEIFX-UHFFFAOYSA-N 1 0 382.512 2.638 10 0 GFAERO C[C@@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1Br ZINC000049172812 551158056 /nfs/dbraw/zinc/15/80/56/551158056.db2.gz XAAYGRXBBZKZOA-KGLIPLIRSA-N 1 0 384.318 2.656 10 0 GFAERO C[C@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000049172774 551158192 /nfs/dbraw/zinc/15/81/92/551158192.db2.gz BQNDPMIBVPQZEU-BBRMVZONSA-N 1 0 384.318 2.656 10 0 GFAERO COc1ccc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1Br ZINC000113610761 551208302 /nfs/dbraw/zinc/20/83/02/551208302.db2.gz DSHMYRKOBDLELO-TZMCWYRMSA-N 1 0 382.302 2.836 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(C)c(Br)s1 ZINC000122133940 551295098 /nfs/dbraw/zinc/29/50/98/551295098.db2.gz ZFTZCTWIXXQBRM-LLVKDONJSA-N 1 0 381.361 2.924 10 0 GFAERO O=C(Cc1ccccc1I)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000123176653 551303932 /nfs/dbraw/zinc/30/39/32/551303932.db2.gz OOJPJRAIORESJT-AWEZNQCLSA-N 1 0 384.261 2.530 10 0 GFAERO O=C(c1ccc(I)cc1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000170828870 551640934 /nfs/dbraw/zinc/64/09/34/551640934.db2.gz MCNQWESAJGIXIK-NSHDSACASA-N 1 0 390.652 2.865 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000174629619 552107649 /nfs/dbraw/zinc/10/76/49/552107649.db2.gz PJVPRHQVYREPGW-VIFPVBQESA-N 1 0 392.244 2.512 10 0 GFAERO COCCN1CCN(C(=O)CCc2ccc(Br)c(C)c2)C[C@H]1C ZINC000176097482 552135460 /nfs/dbraw/zinc/13/54/60/552135460.db2.gz DFGHVJPRSTZSJK-OAHLLOKOSA-N 1 0 383.330 2.869 10 0 GFAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Cc2ccccc2Br)CC1 ZINC000176867852 552147654 /nfs/dbraw/zinc/14/76/54/552147654.db2.gz XHNDUBZLJKHFEJ-CQSZACIVSA-N 1 0 383.330 2.543 10 0 GFAERO COC(=O)C1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(Br)c2)CC1 ZINC000182569783 552287725 /nfs/dbraw/zinc/28/77/25/552287725.db2.gz HQBCQMWSYMPYPA-CHWSQXEVSA-N 1 0 397.313 2.900 10 0 GFAERO C[C@@H]([NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000183029230 552298767 /nfs/dbraw/zinc/29/87/67/552298767.db2.gz OJOYPEPHEPQLKH-ZIAGYGMSSA-N 1 0 398.575 2.676 10 0 GFAERO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184310041 552332285 /nfs/dbraw/zinc/33/22/85/552332285.db2.gz BPFSUDFJASJJCN-UONOGXRCSA-N 1 0 388.339 2.903 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(Br)c(C)cc2C)C1 ZINC000188076598 552434159 /nfs/dbraw/zinc/43/41/59/552434159.db2.gz PYMBNYSHJKLQAD-ZDUSSCGKSA-N 1 0 382.302 2.605 10 0 GFAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1cc(Br)c(F)cc1F ZINC000189150616 552464631 /nfs/dbraw/zinc/46/46/31/552464631.db2.gz ZQELSNYBXNIJRA-SNVBAGLBSA-N 1 0 392.244 2.696 10 0 GFAERO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000192842934 552975591 /nfs/dbraw/zinc/97/55/91/552975591.db2.gz XHZXRLRYQOBQJX-LBPRGKRZSA-N 1 0 381.885 2.585 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000194640194 553025932 /nfs/dbraw/zinc/02/59/32/553025932.db2.gz DUWRMSVUNBVTBM-GFCCVEGCSA-N 1 0 379.913 2.885 10 0 GFAERO C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc(Br)c2)C[C@H]1n1ccnc1 ZINC000245575095 553093168 /nfs/dbraw/zinc/09/31/68/553093168.db2.gz HNDINCZFWNYUIL-QGPMSJSTSA-N 1 0 394.313 2.968 10 0 GFAERO O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246023109 553100804 /nfs/dbraw/zinc/10/08/04/553100804.db2.gz LYEPKDBGMWNLEZ-KBPBESRZSA-N 1 0 382.291 2.653 10 0 GFAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2cc3c(c(Br)c2)OCO3)C1 ZINC000247029725 553117407 /nfs/dbraw/zinc/11/74/07/553117407.db2.gz HROOGJSHWBRGBB-SMDDNHRTSA-N 1 0 398.301 2.706 10 0 GFAERO CC[C@@H]1CN(C(=O)c2cc(Cl)ccc2OC(F)F)CC[N@@H+]1C[C@H](C)O ZINC000248345877 553128764 /nfs/dbraw/zinc/12/87/64/553128764.db2.gz NHEJKASAQGBXTQ-WCQYABFASA-N 1 0 376.831 2.859 10 0 GFAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C(N)=O)c2cccc(Br)c2)C12CCOCC2 ZINC000248639553 553132329 /nfs/dbraw/zinc/13/23/29/553132329.db2.gz NAMLCDIAOGEACS-BZUAXINKSA-N 1 0 397.313 2.539 10 0 GFAERO Cc1cc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc(C)c1Br ZINC000248679699 553133379 /nfs/dbraw/zinc/13/33/79/553133379.db2.gz VPSXVALFRWWORW-HIFRSBDPSA-N 1 0 396.329 2.849 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000249239566 553140680 /nfs/dbraw/zinc/14/06/80/553140680.db2.gz WMEMQFYCKLHPIQ-STQMWFEESA-N 1 0 398.276 2.612 10 0 GFAERO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3ccc4cc(Br)ccc4c3)C[C@@H]12 ZINC000249555111 553144498 /nfs/dbraw/zinc/14/44/98/553144498.db2.gz LTIULFUKKMMNLF-IAOVAPTHSA-N 1 0 395.322 2.960 10 0 GFAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccccc1Oc1cccc(Br)c1 ZINC000262068460 553165069 /nfs/dbraw/zinc/16/50/69/553165069.db2.gz BKTQKXITZPMBRF-MLGOLLRUSA-N 1 0 391.265 2.552 10 0 GFAERO CCOC(=O)c1ccc2c(c1)[C@@H](NC(=O)OC(C)(C)C)C[C@]1(CC[NH2+]C1)O2 ZINC000725260137 570307626 /nfs/dbraw/zinc/30/76/26/570307626.db2.gz NEJAQFHCOUAUTG-YWZLYKJASA-N 1 0 376.453 2.944 10 0 GFAERO C[C@H](NC(=O)NC1CCN(CC[NH+](C)C)CC1)c1cccc(Br)c1 ZINC000123780541 654763487 /nfs/dbraw/zinc/76/34/87/654763487.db2.gz GCGSWGPZTOFNAO-AWEZNQCLSA-N 1 0 397.361 2.835 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000057198002 654802944 /nfs/dbraw/zinc/80/29/44/654802944.db2.gz KQWBYCBLRLVVKY-ZDUSSCGKSA-N 1 0 399.333 2.807 10 0 GFAERO C[C@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)N1CCOCC1 ZINC000126118598 654808763 /nfs/dbraw/zinc/80/87/63/654808763.db2.gz UBJDKBFEBVUDKH-LLVKDONJSA-N 1 0 379.245 2.861 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(O)c(Br)c1 ZINC000126149710 654809048 /nfs/dbraw/zinc/80/90/48/654809048.db2.gz NZXYXZAMYFJTLO-UONOGXRCSA-N 1 0 382.302 2.923 10 0 GFAERO COc1cc(C[NH2+][C@@H](C)[C@H]2CCCO2)cc(I)c1OC ZINC000063313205 654851986 /nfs/dbraw/zinc/85/19/86/654851986.db2.gz ISDKWURLMBEDFB-GXFFZTMASA-N 1 0 391.249 2.966 10 0 GFAERO CC[C@H]1CN(C(=O)c2cc(C)c(Br)cc2C)CC[N@@H+]1C[C@@H](C)O ZINC000130211526 654883919 /nfs/dbraw/zinc/88/39/19/654883919.db2.gz GACULNFSFGIAMF-CABCVRRESA-N 1 0 383.330 2.983 10 0 GFAERO OCC[N@@H+](Cc1ccccc1)C[C@H](O)COc1cccc(Br)c1 ZINC000068048944 654952684 /nfs/dbraw/zinc/95/26/84/654952684.db2.gz UJEBDKACJQJIPI-KRWDZBQOSA-N 1 0 380.282 2.683 10 0 GFAERO CC[C@@H]1CN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000106101517 655102457 /nfs/dbraw/zinc/10/24/57/655102457.db2.gz HKYCLVWDSOSFRB-BMFZPTHFSA-N 1 0 391.339 2.510 10 0 GFAERO CN(C(=O)c1ccc(Br)s1)C1CC[NH+](CCn2cccn2)CC1 ZINC000109293180 655144505 /nfs/dbraw/zinc/14/45/05/655144505.db2.gz ZDARYHQBIBVKCE-UHFFFAOYSA-N 1 0 397.342 2.944 10 0 GFAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Br)cc1)CC2 ZINC000112550887 655193332 /nfs/dbraw/zinc/19/33/32/655193332.db2.gz QAGKKYQGOPUYMN-FZMZJTMJSA-N 1 0 392.301 2.535 10 0 GFAERO CC(C)Oc1cc(Br)cc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000174245038 655194892 /nfs/dbraw/zinc/19/48/92/655194892.db2.gz HLJKZHIIUCYCHY-MRXNPFEDSA-N 1 0 385.302 2.639 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(I)cc1 ZINC000174993697 655211747 /nfs/dbraw/zinc/21/17/47/655211747.db2.gz VUHGNRFHDBLORA-LSDHHAIUSA-N 1 0 384.261 2.990 10 0 GFAERO CC[C@H]1CN(Cn2ncc3c2cccc3Br)CC[N@@H+]1CCOC ZINC000117864270 655268942 /nfs/dbraw/zinc/26/89/42/655268942.db2.gz ZESSDDZFMGZDMO-AWEZNQCLSA-N 1 0 381.318 2.799 10 0 GFAERO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000177718213 655286964 /nfs/dbraw/zinc/28/69/64/655286964.db2.gz IFILSWKWUOKHSH-INIZCTEOSA-N 1 0 390.281 2.703 10 0 GFAERO CC[C@@H]1CN(C(=O)Nc2cnc(Br)c(C)c2)CC[N@@H+]1CCOC ZINC000182414591 655344003 /nfs/dbraw/zinc/34/40/03/655344003.db2.gz MVPARNQMGDOOKK-CQSZACIVSA-N 1 0 385.306 2.727 10 0 GFAERO COc1cc(/C=C/C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc(Br)c1O ZINC000183502802 655351679 /nfs/dbraw/zinc/35/16/79/655351679.db2.gz XMCYJENGSLMMLC-VBROQKIQSA-N 1 0 395.297 2.873 10 0 GFAERO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000193506844 655410684 /nfs/dbraw/zinc/41/06/84/655410684.db2.gz SJDYQHUEGGQZFP-GXTWGEPZSA-N 1 0 377.286 2.814 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cn1ccc(=O)c2cccc(Br)c21 ZINC000246892062 655430763 /nfs/dbraw/zinc/43/07/63/655430763.db2.gz BOTNMHISWRRLAK-KBPBESRZSA-N 1 0 376.298 2.890 10 0 GFAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000262570399 655446212 /nfs/dbraw/zinc/44/62/12/655446212.db2.gz GTXKCKMWNQXKAB-KNXALSJPSA-N 1 0 384.307 2.842 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+]Cc2ccccc2Br)C1 ZINC000702784033 655521824 /nfs/dbraw/zinc/52/18/24/655521824.db2.gz MTNWZMONMHPSJG-HIFRSBDPSA-N 1 0 385.302 2.767 10 0 GFAERO Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]CCCc1ccccc1)C2 ZINC000014744543 210127540 /nfs/dbraw/zinc/12/75/40/210127540.db2.gz OEVVWLBAFLPCOG-GOSISDBHSA-N 1 0 398.576 2.689 10 0 GFAERO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]Cc1cccc(C)n1)C2 ZINC000014731847 210125439 /nfs/dbraw/zinc/12/54/39/210125439.db2.gz GPMAILYBGHQFQO-QGZVFWFLSA-N 1 0 381.524 2.880 10 0 GFAERO Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([N@H+](C)Cc1ccsc1)C2 ZINC000014535488 210119757 /nfs/dbraw/zinc/11/97/57/210119757.db2.gz HNRHLLMIPVAULA-HNNXBMFYSA-N 1 0 390.578 2.660 10 0 GFAERO Cc1c(NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)c(=O)n(-c2ccccc2)n1C ZINC000033851940 209242947 /nfs/dbraw/zinc/24/29/47/209242947.db2.gz NLPBUFJVBPQVMA-LJQANCHMSA-N 1 0 378.476 2.596 10 0 GFAERO [NH3+][C@@H](CNC(=O)COc1ccccc1)c1ccc(C(=O)Nc2ccncc2)cc1 ZINC000090636229 209237458 /nfs/dbraw/zinc/23/74/58/209237458.db2.gz KTJVEIVNATVSOF-FQEVSTJZSA-N 1 0 390.443 2.529 10 0 GFAERO CC(=O)N1CCC([NH2+]C[C@H]2Cn3c(-c4ccc(Cl)cc4)cnc3CO2)CC1 ZINC000096296362 211968964 /nfs/dbraw/zinc/96/89/64/211968964.db2.gz ZWUWTOUUUYLGLX-SFHVURJKSA-N 1 0 388.899 2.703 10 0 GFAERO O=C(CCc1cccnc1)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055133662 132444029 /nfs/dbraw/zinc/44/40/29/132444029.db2.gz QHYMEZBCCUUDEL-JOCHJYFZSA-N 1 0 396.510 2.967 10 0 GFAERO COCC[C@@H]1C[N@@H+](C2CCN(c3cccc(N4CCCC4=O)c3)CC2)CCO1 ZINC000063845231 136156495 /nfs/dbraw/zinc/15/64/95/136156495.db2.gz DXKPSWSIIDSPEL-OAQYLSRUSA-N 1 0 387.524 2.520 10 0 GFAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000043362023 551141461 /nfs/dbraw/zinc/14/14/61/551141461.db2.gz IVJJPEZSWOFGFJ-GFCCVEGCSA-N 1 0 377.819 2.910 10 0 GFAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000112631563 551206614 /nfs/dbraw/zinc/20/66/14/551206614.db2.gz GAQXOSSIBCROGY-CYBMUJFWSA-N 1 0 394.313 2.997 10 0 GFAERO Cc1cccc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1Br ZINC000120965693 551223792 /nfs/dbraw/zinc/22/37/92/551223792.db2.gz DZESVBIBXPRRHI-CYBMUJFWSA-N 1 0 384.318 2.789 10 0 GFAERO CC[C@@H]1CN(C(=O)Cc2cc(Br)ccc2F)CC[N@@H+]1CCOC ZINC000151167767 551408473 /nfs/dbraw/zinc/40/84/73/551408473.db2.gz HDXDAKOIXRLOIX-OAHLLOKOSA-N 1 0 387.293 2.700 10 0 GFAERO C[C@@H]([NH2+]CCS(=O)(=O)N1CCSCC1)[C@@H](C)c1nc2ccccc2s1 ZINC000155776342 551507801 /nfs/dbraw/zinc/50/78/01/551507801.db2.gz UCZNUESYVRAPES-ZIAGYGMSSA-N 1 0 399.607 2.757 10 0 GFAERO C[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000158692855 551555106 /nfs/dbraw/zinc/55/51/06/551555106.db2.gz DPVLXTNSHIRCEZ-RHSMWYFYSA-N 1 0 383.330 2.591 10 0 GFAERO COc1cc(Br)c(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1OC ZINC000171506086 551657546 /nfs/dbraw/zinc/65/75/46/551657546.db2.gz CZVHYHUTQSULQI-CYBMUJFWSA-N 1 0 395.301 2.970 10 0 GFAERO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172908009 551689881 /nfs/dbraw/zinc/68/98/81/551689881.db2.gz ZHCRHQCXPFARCJ-CZUORRHYSA-N 1 0 379.298 2.965 10 0 GFAERO CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CC[N@@H+]1C[C@@H](C)O ZINC000174631027 552107583 /nfs/dbraw/zinc/10/75/83/552107583.db2.gz YLIWHCVXVRFBKJ-BNEJOLLZSA-N 1 0 395.341 2.856 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000175398714 552120873 /nfs/dbraw/zinc/12/08/73/552120873.db2.gz XKZQSYCMAKEPAH-LBPRGKRZSA-N 1 0 391.896 2.542 10 0 GFAERO C[C@@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1Br ZINC000175569229 552124994 /nfs/dbraw/zinc/12/49/94/552124994.db2.gz AVGJTTZQNRFOJK-HUUCEWRRSA-N 1 0 396.329 2.874 10 0 GFAERO C[C@@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1Br ZINC000175569188 552125082 /nfs/dbraw/zinc/12/50/82/552125082.db2.gz AVGJTTZQNRFOJK-CABCVRRESA-N 1 0 396.329 2.874 10 0 GFAERO CN1CC[NH+](CC2CCN(C(=O)c3ccc(Cl)c(Cl)c3[O-])CC2)CC1 ZINC000175769753 552128493 /nfs/dbraw/zinc/12/84/93/552128493.db2.gz MYXLURBTWVHVRN-UHFFFAOYSA-N 1 0 386.323 2.799 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)CCc2cc(Cl)ccc2Br)CCO1 ZINC000176059662 552134952 /nfs/dbraw/zinc/13/49/52/552134952.db2.gz ZLIRDQOIHJQUIR-CQSZACIVSA-N 1 0 389.721 2.824 10 0 GFAERO Brc1ccc(-n2cc(C[N@@H+]3CC[C@H](N4CCOCC4)C3)cn2)cc1 ZINC000179845817 552204917 /nfs/dbraw/zinc/20/49/17/552204917.db2.gz IZRXVUWSRILFAA-SFHVURJKSA-N 1 0 391.313 2.541 10 0 GFAERO C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000183476196 552310514 /nfs/dbraw/zinc/31/05/14/552310514.db2.gz LLDGBGIQJQBTGX-YXJHDRRASA-N 1 0 389.323 2.890 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000190335182 552492860 /nfs/dbraw/zinc/49/28/60/552492860.db2.gz UGHXYWHGBIZNNS-QWHCGFSZSA-N 1 0 398.276 2.612 10 0 GFAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc(Br)cn2)C1 ZINC000190589558 552502254 /nfs/dbraw/zinc/50/22/54/552502254.db2.gz NMZJLOSNORILTA-HNNXBMFYSA-N 1 0 389.297 2.833 10 0 GFAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccncc2Br)C1 ZINC000190620463 552503269 /nfs/dbraw/zinc/50/32/69/552503269.db2.gz JNIBSUNSDGTJRK-HNNXBMFYSA-N 1 0 389.297 2.833 10 0 GFAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(CC(=O)NCc2cccs2)C1 ZINC000195259351 553043194 /nfs/dbraw/zinc/04/31/94/553043194.db2.gz HRJLMGCZFFKTKU-HNNXBMFYSA-N 1 0 378.567 2.583 10 0 GFAERO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000237116348 553075007 /nfs/dbraw/zinc/07/50/07/553075007.db2.gz NYRQQILETHHLPT-NVXWUHKLSA-N 1 0 383.330 2.984 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)C[C@@H]1C ZINC000245726229 553096506 /nfs/dbraw/zinc/09/65/06/553096506.db2.gz IUINWRDBKVGEMD-KBPBESRZSA-N 1 0 393.329 2.726 10 0 GFAERO Brc1cccc(Cc2noc(CN3CC[N@@H+]4CCC[C@H]4C3)n2)c1 ZINC000246032524 553100922 /nfs/dbraw/zinc/10/09/22/553100922.db2.gz OYPUWTRIWXAQRI-HNNXBMFYSA-N 1 0 377.286 2.703 10 0 GFAERO CC[C@@H]1CN(C(=O)CCc2ccc(Br)c(C)c2)CC[N@@H+]1C[C@H](C)O ZINC000246515623 553109286 /nfs/dbraw/zinc/10/92/86/553109286.db2.gz QYEASUOZCRLHSD-DOTOQJQBSA-N 1 0 397.357 2.994 10 0 GFAERO CC[C@H]1CN(C(=O)Cc2csc(-c3cccs3)n2)CC[N@@H+]1C[C@H](C)O ZINC000246742679 553112714 /nfs/dbraw/zinc/11/27/14/553112714.db2.gz GHYWWYWLMXNNHG-ZFWWWQNUSA-N 1 0 379.551 2.718 10 0 GFAERO CCOCC[N@@H+]1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000247877923 553126781 /nfs/dbraw/zinc/12/67/81/553126781.db2.gz YWIHQRLZJNPTJJ-ZBFHGGJFSA-N 1 0 391.339 2.776 10 0 GFAERO CC[C@@H]1CN(C(=O)N[C@H](C)c2ccccc2Br)CC[N@@H+]1C[C@@H](C)O ZINC000248447800 553129981 /nfs/dbraw/zinc/12/99/81/553129981.db2.gz GYUZSGRJTIAHLZ-RBSFLKMASA-N 1 0 398.345 2.997 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000249239563 553140752 /nfs/dbraw/zinc/14/07/52/553140752.db2.gz WMEMQFYCKLHPIQ-OLZOCXBDSA-N 1 0 398.276 2.612 10 0 GFAERO Cn1cc([C@@H]2CC[N@@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)cn1 ZINC000249300717 553141503 /nfs/dbraw/zinc/14/15/03/553141503.db2.gz LPBSTPQYYSHXTI-DYVFJYSZSA-N 1 0 389.297 2.777 10 0 GFAERO CCOC(=O)C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(Br)cc1 ZINC000261810261 553160029 /nfs/dbraw/zinc/16/00/29/553160029.db2.gz RRUADIONKMOJGM-BMFZPTHFSA-N 1 0 397.313 2.935 10 0 GFAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000262075332 553165143 /nfs/dbraw/zinc/16/51/43/553165143.db2.gz BYSJRFJHERDFFS-QAPCUYQASA-N 1 0 376.909 2.942 10 0 GFAERO O=C([O-])C[N@@H+](CC1CC1)C1CC(NCc2cc(O)ccc2Br)C1 ZINC000263536062 553189264 /nfs/dbraw/zinc/18/92/64/553189264.db2.gz ZFOGWXOSIBFTSO-UHFFFAOYSA-N 1 0 383.286 2.572 10 0 GFAERO C[N@@H+]1CCO[C@H]2CN(c3nn4cc(-c5ccc(Cl)cc5)nc4s3)C[C@H]21 ZINC000302390125 563424541 /nfs/dbraw/zinc/42/45/41/563424541.db2.gz DBHVDTHBUQJMKM-CABCVRRESA-N 1 0 375.885 2.630 10 0 GFAERO C[C@H]([NH2+]CCn1cc(Br)cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000285507441 563524132 /nfs/dbraw/zinc/52/41/32/563524132.db2.gz AYLTZLRKPYZCEY-QWHCGFSZSA-N 1 0 387.322 2.881 10 0 GFAERO C[C@H]1CN(C(=O)c2scc(Br)c2Br)C[C@H]1C[NH3+] ZINC000638906994 565216837 /nfs/dbraw/zinc/21/68/37/565216837.db2.gz WTNFAJVRUWBWAS-NKWVEPMBSA-N 1 0 382.121 2.940 10 0 GFAERO C[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@H]1C[NH3+] ZINC000602590698 565856052 /nfs/dbraw/zinc/85/60/52/565856052.db2.gz DJRRNLOZNXXWLA-WCBMZHEXSA-N 1 0 378.641 2.611 10 0 GFAERO COC(=O)c1cc(C)c2c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)C1)C[C@@H]2[NH3+] ZINC000725259835 570306915 /nfs/dbraw/zinc/30/69/15/570306915.db2.gz KAISFNQBSCKUCT-VBKZILBWSA-N 1 0 376.453 2.944 10 0 GFAERO CC[C@@H](O)C[NH2+][C@@H](c1nc(-c2cc(OC)c(OC)c(OC)c2)no1)C(C)C ZINC000036160562 570555919 /nfs/dbraw/zinc/55/59/19/570555919.db2.gz QKGSKTPJTDQHFG-CZUORRHYSA-N 1 0 379.457 2.820 10 0 GFAERO COc1ccc2[nH]c(C[NH2+]Cc3cn(CCC(N)=O)c4ccccc34)nc2c1 ZINC000055036332 570679681 /nfs/dbraw/zinc/67/96/81/570679681.db2.gz CHLUUEQMICZERU-UHFFFAOYSA-N 1 0 377.448 2.691 10 0 GFAERO Cc1cccc(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1Br ZINC000125629910 654800096 /nfs/dbraw/zinc/80/00/96/654800096.db2.gz HBFNYYOWPSIULH-CQSZACIVSA-N 1 0 383.330 2.922 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)CCO1 ZINC000129648026 654869984 /nfs/dbraw/zinc/86/99/84/654869984.db2.gz ZUOMGFBUGIQTJV-ZDUSSCGKSA-N 1 0 381.889 2.653 10 0 GFAERO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000091323997 655008797 /nfs/dbraw/zinc/00/87/97/655008797.db2.gz KRJJKYXSFZEFTB-KCJUWKMLSA-N 1 0 397.722 2.517 10 0 GFAERO CC[C@H]1CN(CCC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1CCOC ZINC000106113809 655103332 /nfs/dbraw/zinc/10/33/32/655103332.db2.gz UUOAFXYKZWYOPI-KRWDZBQOSA-N 1 0 398.345 2.820 10 0 GFAERO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)ccc1Br ZINC000106174152 655104358 /nfs/dbraw/zinc/10/43/58/655104358.db2.gz PSHUGWDKRWATCS-CQSZACIVSA-N 1 0 392.301 2.700 10 0 GFAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000112548582 655193286 /nfs/dbraw/zinc/19/32/86/655193286.db2.gz RMDUGLCRCSTVHT-PWSUYJOCSA-N 1 0 379.810 2.606 10 0 GFAERO C[C@@H]([NH3+])CCNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000178665240 655307555 /nfs/dbraw/zinc/30/75/55/655307555.db2.gz HSVUNILPFPGQJO-GFCCVEGCSA-N 1 0 391.313 2.981 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccnc(Cl)c2I)C1 ZINC000179591898 655314982 /nfs/dbraw/zinc/31/49/82/655314982.db2.gz KKYMVRQVOSLXNE-VIFPVBQESA-N 1 0 393.656 2.554 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000182538366 655345193 /nfs/dbraw/zinc/34/51/93/655345193.db2.gz UEWQNAHEFXAFFZ-CHWSQXEVSA-N 1 0 387.889 2.804 10 0 GFAERO C[C@H]([NH2+]CC(=O)NC1CCC2(CC1)OCCO2)c1cccc(Br)c1 ZINC000182582385 655345399 /nfs/dbraw/zinc/34/53/99/655345399.db2.gz UWXLAEWNFGYKFQ-ZDUSSCGKSA-N 1 0 397.313 2.902 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2nc(Br)ccc2Br)C1 ZINC000191300855 655397571 /nfs/dbraw/zinc/39/75/71/655397571.db2.gz MLPVVYWTTDAGGL-SECBINFHSA-N 1 0 391.107 2.821 10 0 GFAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(I)cc1Cl ZINC000193507564 655410680 /nfs/dbraw/zinc/41/06/80/655410680.db2.gz VXGUXUPFSOMEHT-PRHODGIISA-N 1 0 378.641 2.815 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@@H](C[NH2+]Cc2ccc(Br)s2)[C@H](O)C1 ZINC000702763176 655521780 /nfs/dbraw/zinc/52/17/80/655521780.db2.gz MWWOVZUDQCHCSQ-ZYHUDNBSSA-N 1 0 391.331 2.828 10 0 GFAERO C[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000723847283 655525534 /nfs/dbraw/zinc/52/55/34/655525534.db2.gz DSGYZNMXNJDNAE-GJZGRUSLSA-N 1 0 376.563 2.682 10 0 GFAERO CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@@H]([NH2+]Cc1ccncc1)CC2 ZINC000014754007 210126254 /nfs/dbraw/zinc/12/62/54/210126254.db2.gz IBJOWFIIAVZARQ-IBGZPJMESA-N 1 0 389.503 2.528 10 0 GFAERO CSCCC[NH2+][C@H]1CCc2c(c(C(=O)N(C)Cc3ccccc3)nn2C)C1 ZINC000014755056 210126194 /nfs/dbraw/zinc/12/61/94/210126194.db2.gz DSAFXHWDCAXJHT-KRWDZBQOSA-N 1 0 386.565 2.892 10 0 GFAERO CCn1nc(C(=O)N(C)Cc2ccoc2)c2c1CC[C@H]([NH+]1CCSCC1)C2 ZINC000014733789 210124613 /nfs/dbraw/zinc/12/46/13/210124613.db2.gz AMMSWFUVRBZTBW-INIZCTEOSA-N 1 0 388.537 2.674 10 0 GFAERO CCN1C(=O)N(C)C(=O)C12CC[NH+](Cc1ccc(Oc3ncccn3)cc1)CC2 ZINC000014541009 210121666 /nfs/dbraw/zinc/12/16/66/210121666.db2.gz PEVWCXVSJIHLSR-UHFFFAOYSA-N 1 0 395.463 2.517 10 0 GFAERO CSCC[NH2+][C@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 ZINC000014536397 210119096 /nfs/dbraw/zinc/11/90/96/210119096.db2.gz DBOYXEWOHQVBRO-INIZCTEOSA-N 1 0 378.586 2.975 10 0 GFAERO COc1ccccc1N1CC[NH+](CCC2(C)[C@@H](O)c3ccccc3[C@@H]2O)CC1 ZINC000003619930 209228976 /nfs/dbraw/zinc/22/89/76/209228976.db2.gz SHTPUDPOZXQEMF-VXKWHMMOSA-N 1 0 382.504 2.994 10 0 GFAERO [NH3+][C@@H](CO)c1c(Br)cc(Br)c([O-])c1Br ZINC000072199968 211083719 /nfs/dbraw/zinc/08/37/19/211083719.db2.gz PLEFWLPVXQTWQI-YFKPBYRVSA-N 1 0 389.869 2.672 10 0 GFAERO Cc1ccnc(NC(=O)c2cccc(C[NH+]3CCC4(CNC(=O)O4)CC3)c2)c1 ZINC000067975838 211031387 /nfs/dbraw/zinc/03/13/87/211031387.db2.gz MYFBMZAALVKXRN-UHFFFAOYSA-N 1 0 380.448 2.717 10 0 GFAERO COc1cc2c(cc1OC)CN([C@@H]1CCC[N@H+](Cc3ccc(CO)o3)C1)CC2 ZINC000020780456 210360858 /nfs/dbraw/zinc/36/08/58/210360858.db2.gz GTVXCDCXJSULIK-GOSISDBHSA-N 1 0 386.492 2.812 10 0 GFAERO CC[NH+]1CCN(CCCNC(=O)c2cc3cc4cc(OC)ccc4nc3o2)CC1 ZINC000020210031 210321613 /nfs/dbraw/zinc/32/16/13/210321613.db2.gz XPAAVGMIAFOARL-UHFFFAOYSA-N 1 0 396.491 2.747 10 0 GFAERO COCC1CCN(C(=O)c2ccc(N3CC[NH2+][C@@H](c4ccccc4)C3)nc2)CC1 ZINC000065256095 136161986 /nfs/dbraw/zinc/16/19/86/136161986.db2.gz QGFXZEGCUXDCCS-OAQYLSRUSA-N 1 0 394.519 2.731 10 0 GFAERO c1cncc(COC2CCN(c3ncnc4sc5c(c43)CC[NH2+]C5)CC2)c1 ZINC000065396680 136163841 /nfs/dbraw/zinc/16/38/41/136163841.db2.gz OHCFUGAFJHZTRH-UHFFFAOYSA-N 1 0 381.505 2.918 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000047894016 551154183 /nfs/dbraw/zinc/15/41/83/551154183.db2.gz PBXFACISEYMAIL-ZDUSSCGKSA-N 1 0 399.333 2.726 10 0 GFAERO O=C(Nc1ccc(I)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000104972254 551198906 /nfs/dbraw/zinc/19/89/06/551198906.db2.gz XBCKYIKXZCPIRR-AWEZNQCLSA-N 1 0 385.249 2.993 10 0 GFAERO CC[C@H]1CN(C(=O)NCc2cc(Br)cs2)CC[N@@H+]1CCOC ZINC000117481010 551214105 /nfs/dbraw/zinc/21/41/05/551214105.db2.gz ZQPMVVYEDZUXGG-ZDUSSCGKSA-N 1 0 390.347 2.763 10 0 GFAERO CC[C@@H]1CN(C(=O)NCc2cccc(Br)c2)CC[N@@H+]1CCOC ZINC000117486565 551214162 /nfs/dbraw/zinc/21/41/62/551214162.db2.gz XJNMCPUKGZJAPD-MRXNPFEDSA-N 1 0 384.318 2.701 10 0 GFAERO Cc1csc(N2CCN(C[C@H](O)COCc3ccc(Cl)cc3)CC2)n1 ZINC000126862074 551333233 /nfs/dbraw/zinc/33/32/33/551333233.db2.gz ZFEPOICIWUSVCB-KRWDZBQOSA-N 1 0 381.929 2.805 10 0 GFAERO CCn1cnnc1C1CC[NH+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000155417599 551499479 /nfs/dbraw/zinc/49/94/79/551499479.db2.gz RMQWXAGXFPLWGU-INIZCTEOSA-N 1 0 379.302 2.974 10 0 GFAERO CCN(C(=O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000155976499 551512320 /nfs/dbraw/zinc/51/23/20/551512320.db2.gz BUXYMXXKEALSDO-WCQYABFASA-N 1 0 393.336 2.680 10 0 GFAERO Cn1cc(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc(Br)c1=O ZINC000156204598 551517029 /nfs/dbraw/zinc/51/70/29/551517029.db2.gz WELXSLUXBPLMIR-ZDUSSCGKSA-N 1 0 387.322 2.636 10 0 GFAERO CCC[C@@H](C(=O)NCCc1ccc(I)s1)[NH+](C)C ZINC000161955108 551601362 /nfs/dbraw/zinc/60/13/62/551601362.db2.gz FDAHMEXXLFASHF-NSHDSACASA-N 1 0 380.295 2.742 10 0 GFAERO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCN(Cc3ccc(Br)s3)CC2)C1 ZINC000163660364 551621380 /nfs/dbraw/zinc/62/13/80/551621380.db2.gz BHXXUCGSSNAUFC-CHWSQXEVSA-N 1 0 386.359 2.672 10 0 GFAERO CC[C@H]1CN(C(=O)NCc2ccc(Br)s2)CC[N@@H+]1CCOC ZINC000172326756 551676593 /nfs/dbraw/zinc/67/65/93/551676593.db2.gz SSHZAAIEPUECJH-LBPRGKRZSA-N 1 0 390.347 2.763 10 0 GFAERO O[C@H](COc1cccc(Br)c1)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172644530 551683872 /nfs/dbraw/zinc/68/38/72/551683872.db2.gz OVYMGNNANJXEBC-WBVHZDCISA-N 1 0 383.330 2.607 10 0 GFAERO Cc1ccc(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c(Br)c1 ZINC000173884419 552095388 /nfs/dbraw/zinc/09/53/88/552095388.db2.gz MWYHPISBJJCBJP-JSGCOSHPSA-N 1 0 375.332 2.765 10 0 GFAERO CCC[N@H+](C)C[C@@H]1CCN(C[C@H](O)COc2cccc(Br)c2)C1 ZINC000176284104 552137895 /nfs/dbraw/zinc/13/78/95/552137895.db2.gz WEOODWIEFXFROH-RDJZCZTQSA-N 1 0 385.346 2.853 10 0 GFAERO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177235653 552152343 /nfs/dbraw/zinc/15/23/43/552152343.db2.gz HOUQRBORTXGFQU-IGCXYCKISA-N 1 0 386.323 2.973 10 0 GFAERO Cn1cc([C@H]2CC[N@H+](Cc3cc(Br)c4c(c3)OCCO4)C2)cn1 ZINC000179806883 552203377 /nfs/dbraw/zinc/20/33/77/552203377.db2.gz RMJCEBQKYLCNCS-ZDUSSCGKSA-N 1 0 378.270 2.943 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000179812841 552203406 /nfs/dbraw/zinc/20/34/06/552203406.db2.gz LARKDZWWRJHZMF-VIFPVBQESA-N 1 0 392.244 2.512 10 0 GFAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000180353736 552223672 /nfs/dbraw/zinc/22/36/72/552223672.db2.gz UNWCIMLYRFCUCV-SJKOYZFVSA-N 1 0 389.323 2.578 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(Br)cc2C(F)(F)F)CCO1 ZINC000180552396 552229723 /nfs/dbraw/zinc/22/97/23/552229723.db2.gz ARXRXCSFGDEYSK-LLVKDONJSA-N 1 0 395.219 2.871 10 0 GFAERO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000181562296 552261015 /nfs/dbraw/zinc/26/10/15/552261015.db2.gz CQYFONCGLYXRBU-GFCCVEGCSA-N 1 0 381.885 2.585 10 0 GFAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCc2ccc(Br)cc2)CC1 ZINC000181724431 552266210 /nfs/dbraw/zinc/26/62/10/552266210.db2.gz LKFHEZHSBHNJMI-AWEZNQCLSA-N 1 0 398.345 2.683 10 0 GFAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1cc(F)c(Br)c(F)c1 ZINC000182510551 552286200 /nfs/dbraw/zinc/28/62/00/552286200.db2.gz PFFDQVDZVLRWSB-LLVKDONJSA-N 1 0 392.244 2.696 10 0 GFAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc(I)c[nH]1 ZINC000182535020 552286609 /nfs/dbraw/zinc/28/66/09/552286609.db2.gz FZATWVGSCNQYNK-LBPRGKRZSA-N 1 0 397.260 2.870 10 0 GFAERO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)s2)cc1S(N)(=O)=O ZINC000183002225 552298754 /nfs/dbraw/zinc/29/87/54/552298754.db2.gz IIJYGECLDIPTMS-JTQLQIEISA-N 1 0 387.914 2.647 10 0 GFAERO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000185515551 552365016 /nfs/dbraw/zinc/36/50/16/552365016.db2.gz SPNKXFSHCZDJGI-HUUCEWRRSA-N 1 0 397.361 2.835 10 0 GFAERO Brc1ccc([C@@H]([NH2+][C@H]2CCc3ncnn3C2)c2cncnc2)cc1 ZINC000186267207 552383420 /nfs/dbraw/zinc/38/34/20/552383420.db2.gz JAYZVRCDAOLTGA-DOTOQJQBSA-N 1 0 385.269 2.525 10 0 GFAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188743853 552454040 /nfs/dbraw/zinc/45/40/40/552454040.db2.gz GDGVOEFZBDSFRS-CRAIPNDOSA-N 1 0 383.330 2.926 10 0 GFAERO CC(C)[N@H+]1C[C@H](NC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)[C@@H](C)C1 ZINC000190624241 552504074 /nfs/dbraw/zinc/50/40/74/552504074.db2.gz XOBTVRJKEMGVRX-ZANVPECISA-N 1 0 376.259 2.916 10 0 GFAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000190677578 552505814 /nfs/dbraw/zinc/50/58/14/552505814.db2.gz LWMQJCHHBKKWFT-MRVPVSSYSA-N 1 0 385.686 2.566 10 0 GFAERO Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000192842818 552975929 /nfs/dbraw/zinc/97/59/29/552975929.db2.gz MIXJLXJSPDOZGG-GFCCVEGCSA-N 1 0 381.885 2.585 10 0 GFAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000192938262 552978354 /nfs/dbraw/zinc/97/83/54/552978354.db2.gz DWQSVKVHRFUQNO-MRXNPFEDSA-N 1 0 379.913 2.878 10 0 GFAERO Cc1c(Br)ccc(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1F ZINC000194212095 553014811 /nfs/dbraw/zinc/01/48/11/553014811.db2.gz BLFIJCAGTWOCPI-GFCCVEGCSA-N 1 0 388.281 2.865 10 0 GFAERO CCCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000245200293 553089378 /nfs/dbraw/zinc/08/93/78/553089378.db2.gz JKZBEKFESCBCGW-HZPDHXFCSA-N 1 0 399.329 2.570 10 0 GFAERO Cc1c(I)cccc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246022431 553101072 /nfs/dbraw/zinc/10/10/72/553101072.db2.gz OARXXXDQQVQSFF-YPMHNXCESA-N 1 0 384.261 2.908 10 0 GFAERO COCCN1CCN(C(=O)N[C@H](C)c2ccc(Br)cc2)C[C@H]1C ZINC000246997625 553117465 /nfs/dbraw/zinc/11/74/65/553117465.db2.gz GMJSGTUNMZGFHZ-ZIAGYGMSSA-N 1 0 384.318 2.872 10 0 GFAERO COc1ccc(Br)cc1CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247306067 553120898 /nfs/dbraw/zinc/12/08/98/553120898.db2.gz LPPYPPIGOGXOMV-SWLSCSKDSA-N 1 0 384.318 2.986 10 0 GFAERO C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)Oc1ccccc1Br ZINC000247383353 553122209 /nfs/dbraw/zinc/12/22/09/553122209.db2.gz URJONOPFOLSZCH-KBPBESRZSA-N 1 0 382.302 2.706 10 0 GFAERO CC[C@@H]1CN(CCC(=O)Nc2ccccc2Br)CC[N@@H+]1C[C@H](C)O ZINC000247772064 553125650 /nfs/dbraw/zinc/12/56/50/553125650.db2.gz PMQYTISEZOHKOE-LSDHHAIUSA-N 1 0 398.345 2.555 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000248683239 553133228 /nfs/dbraw/zinc/13/32/28/553133228.db2.gz XOBTVRJKEMGVRX-NOZJJQNGSA-N 1 0 376.259 2.916 10 0 GFAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1cccc(I)c1 ZINC000261696208 553156545 /nfs/dbraw/zinc/15/65/45/553156545.db2.gz SJPCIEAKRBSLQW-MPLXBHQASA-N 1 0 384.261 2.927 10 0 GFAERO COc1cc(Br)c(CN[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1OC ZINC000261912112 553162375 /nfs/dbraw/zinc/16/23/75/553162375.db2.gz JDHCDNBAQQHOFC-FVQBIDKESA-N 1 0 399.329 2.713 10 0 GFAERO CN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)c1c(Cl)cccc1Br ZINC000312806725 563436503 /nfs/dbraw/zinc/43/65/03/563436503.db2.gz HRJYMXZKKFFVPH-SNVBAGLBSA-N 1 0 381.723 2.865 10 0 GFAERO C[NH2+][C@H](C)C(=O)Nc1ccc(Br)c(I)c1 ZINC000300990802 563391846 /nfs/dbraw/zinc/39/18/46/563391846.db2.gz VBBRRQAIIBZEGR-ZCFIWIBFSA-N 1 0 383.027 2.600 10 0 GFAERO CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1c(Cl)cccc1Br ZINC000282902053 563428914 /nfs/dbraw/zinc/42/89/14/563428914.db2.gz FOJIOAJDWYQKNX-SNVBAGLBSA-N 1 0 381.723 2.675 10 0 GFAERO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(I)c(Cl)c2)C1 ZINC000389951753 563522788 /nfs/dbraw/zinc/52/27/88/563522788.db2.gz DOXLXZUERCSVPE-JTQLQIEISA-N 1 0 378.641 2.769 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(F)c1I ZINC000533543941 564964952 /nfs/dbraw/zinc/96/49/52/564964952.db2.gz YPFIFYWIJMDAFS-GHMZBOCLSA-N 1 0 388.224 2.739 10 0 GFAERO CCC(CC)C(=O)N1CCC2(C[N@H+](C)C[C@@H]2c2nc(-c3ccncc3)n[nH]2)CC1 ZINC000097139635 570664824 /nfs/dbraw/zinc/66/48/24/570664824.db2.gz FOCCJBUVIBKMOT-GOSISDBHSA-N 1 0 396.539 2.941 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000052561801 654736845 /nfs/dbraw/zinc/73/68/45/654736845.db2.gz ZOZHVLTVSLJFMX-OAHLLOKOSA-N 1 0 397.317 2.561 10 0 GFAERO Cc1c(I)cccc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000123054213 654751552 /nfs/dbraw/zinc/75/15/52/654751552.db2.gz OARXXXDQQVQSFF-AAEUAGOBSA-N 1 0 384.261 2.908 10 0 GFAERO CCOCC[N@@H+]1CCN(C(=O)Nc2cccnc2Br)C[C@@H]1CC ZINC000133058110 654953562 /nfs/dbraw/zinc/95/35/62/654953562.db2.gz IOWWUFOCJAKBAY-ZDUSSCGKSA-N 1 0 385.306 2.809 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2c(F)cc(Br)cc2F)CCO1 ZINC000136847643 655036115 /nfs/dbraw/zinc/03/61/15/655036115.db2.gz FUHCWZFNCDRPOZ-JTQLQIEISA-N 1 0 378.217 2.522 10 0 GFAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@H]1CN(C)CCO1 ZINC000105471397 655093346 /nfs/dbraw/zinc/09/33/46/655093346.db2.gz GZVMOSVCFRZWMP-KRWDZBQOSA-N 1 0 393.329 2.672 10 0 GFAERO O=C(CC[N@@H+]1CCC[C@H](Cn2cncn2)C1)Nc1ccccc1Br ZINC000106172601 655104395 /nfs/dbraw/zinc/10/43/95/655104395.db2.gz UWMOIKSLBHTWAE-AWEZNQCLSA-N 1 0 392.301 2.781 10 0 GFAERO C[C@H](CNC(=O)N[C@H](C)c1ccccc1Br)C[NH+]1CCN(C)CC1 ZINC000173400333 655170036 /nfs/dbraw/zinc/17/00/36/655170036.db2.gz FAAONALWDYGSQE-HUUCEWRRSA-N 1 0 397.361 2.693 10 0 GFAERO C[NH+](C)C[C@@H]1CN(Cc2ncc(-c3cccc(Br)c3)o2)CCO1 ZINC000173701428 655176434 /nfs/dbraw/zinc/17/64/34/655176434.db2.gz MBOJJEFCOKWSHY-OAHLLOKOSA-N 1 0 380.286 2.867 10 0 GFAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000111815356 655177687 /nfs/dbraw/zinc/17/76/87/655177687.db2.gz DZXRSLIQPOLEGO-CJNGLKHVSA-N 1 0 384.318 2.920 10 0 GFAERO CC(C)[NH2+]C1CCN(C(=O)NCCOc2ccc(Br)cc2)CC1 ZINC000111843979 655178013 /nfs/dbraw/zinc/17/80/13/655178013.db2.gz DPYYNPODMLMZDK-UHFFFAOYSA-N 1 0 384.318 3.000 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000113268745 655206456 /nfs/dbraw/zinc/20/64/56/655206456.db2.gz BKXCQRMCBQFKLK-CMPLNLGQSA-N 1 0 388.256 2.834 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCC2)CCO1 ZINC000116791855 655253538 /nfs/dbraw/zinc/25/35/38/655253538.db2.gz HQCIXXRVOIXLFM-MRXNPFEDSA-N 1 0 381.314 2.660 10 0 GFAERO Cc1cc(OC(F)F)c(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)s1 ZINC000176887562 655258845 /nfs/dbraw/zinc/25/88/45/655258845.db2.gz LPGOKTQLOPPGGR-NSHDSACASA-N 1 0 376.469 2.823 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(Br)cc1C ZINC000176892552 655259158 /nfs/dbraw/zinc/25/91/58/655259158.db2.gz ZDBPJCHKBXQITQ-AWEZNQCLSA-N 1 0 382.302 2.639 10 0 GFAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cc(F)cc(Br)c2)CC1 ZINC000176892618 655259246 /nfs/dbraw/zinc/25/92/46/655259246.db2.gz FCWIBGYVTXVEPG-LBPRGKRZSA-N 1 0 387.293 2.753 10 0 GFAERO COCC[N@@H+]1CCN(Cn2nc(-c3ccc(Cl)cc3)[nH]c2=S)C[C@@H]1C ZINC000117322970 655264168 /nfs/dbraw/zinc/26/41/68/655264168.db2.gz RKCKMSXXXPWZJI-ZDUSSCGKSA-N 1 0 381.933 2.871 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1ccccc1I ZINC000119254779 655295340 /nfs/dbraw/zinc/29/53/40/655295340.db2.gz SDWDPVTZDRENCC-AWEZNQCLSA-N 1 0 386.277 2.776 10 0 GFAERO CC[C@@H]1CN(Cc2cc(Br)c(OC)s2)CC[N@@H+]1C[C@@H](C)O ZINC000120700545 655342627 /nfs/dbraw/zinc/34/26/27/655342627.db2.gz QWUPJYUIPFQHPL-VXGBXAGGSA-N 1 0 377.348 2.796 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](CO)c2cccc(Br)c2)C1 ZINC000120860753 655345693 /nfs/dbraw/zinc/34/56/93/655345693.db2.gz BUCSLHICQFNBJN-KCXAZCMYSA-N 1 0 384.318 2.510 10 0 GFAERO O=C(/C=C/c1ccc(I)o1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195089189 655418797 /nfs/dbraw/zinc/41/87/97/655418797.db2.gz GQMDBFXLBKZHEJ-HOSRBBHYSA-N 1 0 386.233 2.594 10 0 GFAERO CCOCC[N@@H+]1CCN(C[C@@H](O)c2ccc(F)c(Br)c2)C[C@@H]1C ZINC000248426294 655432335 /nfs/dbraw/zinc/43/23/35/655432335.db2.gz MQQUIGTZSBDNFN-SUMWQHHRSA-N 1 0 389.309 2.664 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C[NH2+]Cc2ccccc2Br)C1 ZINC000702784035 655521838 /nfs/dbraw/zinc/52/18/38/655521838.db2.gz MTNWZMONMHPSJG-ZFWWWQNUSA-N 1 0 385.302 2.767 10 0 GFAERO CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)C[NH+](C)C)C3)s1 ZINC000014995174 210140944 /nfs/dbraw/zinc/14/09/44/210140944.db2.gz GMTYYTWVWBWVSY-AWEZNQCLSA-N 1 0 376.453 2.738 10 0 GFAERO CSCCC[NH2+][C@@H]1CCc2c(c(C(=O)NCCc3ccccc3)nn2C)C1 ZINC000014744675 210127021 /nfs/dbraw/zinc/12/70/21/210127021.db2.gz CPGXTSMPEBMOBG-QGZVFWFLSA-N 1 0 386.565 2.593 10 0 GFAERO CN(C)C(=O)[C@@H]([NH2+]C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)c1ccccc1 ZINC000328625379 209148736 /nfs/dbraw/zinc/14/87/36/209148736.db2.gz DCBJTEQDFIEMQW-GUYCJALGSA-N 1 0 380.414 2.883 10 0 GFAERO c1nc(N2CCOCC2)sc1C[NH2+][C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000023359725 210444321 /nfs/dbraw/zinc/44/43/21/210444321.db2.gz XAENUAZWXZXIIL-IBGZPJMESA-N 1 0 398.576 2.701 10 0 GFAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ncc(-c3ccccc3Br)o2)C[C@H]1C ZINC000119142222 551215055 /nfs/dbraw/zinc/21/50/55/551215055.db2.gz AYPSFUZQIRRSAB-ZIAGYGMSSA-N 1 0 394.313 2.991 10 0 GFAERO Cc1sc(Br)cc1S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000122463577 551298407 /nfs/dbraw/zinc/29/84/07/551298407.db2.gz YTYLEGQOZPKNAK-GXSJLCMTSA-N 1 0 379.345 2.676 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(C)ccc1Br ZINC000154084927 551467452 /nfs/dbraw/zinc/46/74/52/551467452.db2.gz ULVGFTIPCFRCTK-ZDUSSCGKSA-N 1 0 382.302 2.639 10 0 GFAERO CC(C)C[N@@H+]1CCC[C@@H]1CN[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000155233876 551495061 /nfs/dbraw/zinc/49/50/61/551495061.db2.gz OVKATSTYORBSNL-CJNGLKHVSA-N 1 0 386.309 2.825 10 0 GFAERO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(Br)c1 ZINC000159231524 551562485 /nfs/dbraw/zinc/56/24/85/551562485.db2.gz LSOOKFPZQZUAIG-SFHVURJKSA-N 1 0 389.293 2.598 10 0 GFAERO CCn1cc(C[N@@H+]2CCCN(Cc3cncc(Br)c3)CC2)cn1 ZINC000170944237 551643901 /nfs/dbraw/zinc/64/39/01/551643901.db2.gz HOWBCEDZOXBHLN-UHFFFAOYSA-N 1 0 378.318 2.768 10 0 GFAERO O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171757014 551662561 /nfs/dbraw/zinc/66/25/61/551662561.db2.gz LYEPKDBGMWNLEZ-KGLIPLIRSA-N 1 0 382.291 2.653 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(OC)c(I)c2)C1 ZINC000178229940 552167386 /nfs/dbraw/zinc/16/73/86/552167386.db2.gz DDPAQUZZQJCSPX-GFCCVEGCSA-N 1 0 388.249 2.514 10 0 GFAERO CCOC(=O)C1CCN(C(=O)C[NH2+][C@H](C)c2cccc(Br)c2)CC1 ZINC000182574229 552287537 /nfs/dbraw/zinc/28/75/37/552287537.db2.gz ZTDCDJIUJFZNLP-CYBMUJFWSA-N 1 0 397.313 2.901 10 0 GFAERO O[C@@H](CNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)C[NH+]1CCCCC1 ZINC000183501194 552311188 /nfs/dbraw/zinc/31/11/88/552311188.db2.gz KMWYPCQHRGSRET-HNNXBMFYSA-N 1 0 384.311 2.511 10 0 GFAERO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C)c1ccccc1Br ZINC000185459995 552363885 /nfs/dbraw/zinc/36/38/85/552363885.db2.gz HZQHUCAVQJQGDR-GJZGRUSLSA-N 1 0 397.361 2.835 10 0 GFAERO O[C@@]1(C[NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)CCSC1 ZINC000186233345 552382737 /nfs/dbraw/zinc/38/27/37/552382737.db2.gz CYCBMDCEAGOIPN-HZPDHXFCSA-N 1 0 380.311 2.786 10 0 GFAERO Brc1ccc([C@@H]([NH2+][C@@H]2CCc3ncnn3C2)c2cncnc2)cc1 ZINC000186267171 552383249 /nfs/dbraw/zinc/38/32/49/552383249.db2.gz JAYZVRCDAOLTGA-NVXWUHKLSA-N 1 0 385.269 2.525 10 0 GFAERO Cc1c(Br)scc1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000187637619 552420613 /nfs/dbraw/zinc/42/06/13/552420613.db2.gz WJMJQUSEJFSCML-NSHDSACASA-N 1 0 389.359 2.984 10 0 GFAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)NCCSC(F)(F)F)C1 ZINC000190697199 552506578 /nfs/dbraw/zinc/50/65/78/552506578.db2.gz DWSVRVULOATKHY-CQSZACIVSA-N 1 0 376.448 2.798 10 0 GFAERO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000192187002 552555324 /nfs/dbraw/zinc/55/53/24/552555324.db2.gz ZPOMKPUVYANLBR-GHMZBOCLSA-N 1 0 386.279 2.636 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2c(F)cc(F)cc2Br)CCO1 ZINC000192294420 552558532 /nfs/dbraw/zinc/55/85/32/552558532.db2.gz HDFMLFPJVYRCPW-SNVBAGLBSA-N 1 0 378.217 2.522 10 0 GFAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000193269258 552988423 /nfs/dbraw/zinc/98/84/23/552988423.db2.gz QMHIYHACDGQWRQ-AWEZNQCLSA-N 1 0 399.329 2.855 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(OC(F)F)c(Br)c2)C[C@@H]1C ZINC000245850920 553098547 /nfs/dbraw/zinc/09/85/47/553098547.db2.gz MJDSFJGPDLQYNQ-RYUDHWBXSA-N 1 0 393.272 2.937 10 0 GFAERO CC[C@@H]1CN(C(=O)[C@H](C)c2ccc(Br)cc2)CC[N@@H+]1C[C@H](C)O ZINC000245952298 553099706 /nfs/dbraw/zinc/09/97/06/553099706.db2.gz SREOWWVEYKOUQS-JJRVBVJISA-N 1 0 383.330 2.856 10 0 GFAERO Cc1ccc(I)cc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000246066032 553101783 /nfs/dbraw/zinc/10/17/83/553101783.db2.gz RQEWVLQNOAKNOL-TZMCWYRMSA-N 1 0 384.261 2.908 10 0 GFAERO Cc1cccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1I ZINC000247468613 553122719 /nfs/dbraw/zinc/12/27/19/553122719.db2.gz RMOPHCQMFAAGFZ-CHWSQXEVSA-N 1 0 384.261 2.908 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(Br)ccc1Cl ZINC000247510011 553123571 /nfs/dbraw/zinc/12/35/71/553123571.db2.gz VTKFIXSXQUENTH-PWSUYJOCSA-N 1 0 393.734 2.960 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(Cc2ncc(-c3cccc(Br)c3)o2)C[C@@H]1C ZINC000247699314 553125044 /nfs/dbraw/zinc/12/50/44/553125044.db2.gz XJKNVXAVDRCLDX-KBPBESRZSA-N 1 0 394.313 2.991 10 0 GFAERO CN1CCO[C@H](C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000248888392 553136909 /nfs/dbraw/zinc/13/69/09/553136909.db2.gz YFVGLGLDRJGCIK-MSOLQXFVSA-N 1 0 383.330 2.837 10 0 GFAERO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261677031 553155907 /nfs/dbraw/zinc/15/59/07/553155907.db2.gz GLLKDEOCLCGPFB-WQVCFCJDSA-N 1 0 387.307 2.959 10 0 GFAERO COC[C@@H]([NH3+])C(=O)Nc1ncc(Cc2ccc(Br)c(C)c2)s1 ZINC000262250271 553168106 /nfs/dbraw/zinc/16/81/06/553168106.db2.gz IOODSWDLCHAOIG-CYBMUJFWSA-N 1 0 384.299 2.717 10 0 GFAERO CCOC(=O)c1cc2cc(S(=O)(=O)N3CCCC[C@H]3C[NH3+])ccc2s1 ZINC000262366715 553169914 /nfs/dbraw/zinc/16/99/14/553169914.db2.gz WEZXORQFQGQNOZ-ZDUSSCGKSA-N 1 0 382.507 2.580 10 0 GFAERO COC[C@H]([NH3+])C(=O)N[C@@](C)(Cc1cccc(Br)c1)c1ccccc1 ZINC000262515010 553172146 /nfs/dbraw/zinc/17/21/46/553172146.db2.gz KCNSDFOKOGOJKN-HKUYNNGSSA-N 1 0 391.309 2.997 10 0 GFAERO C[N@H+](CC(=O)[O-])[C@@H]1CCCN(Cc2cc(Br)cc3c2OCC3)CC1 ZINC000263530662 553189145 /nfs/dbraw/zinc/18/91/45/553189145.db2.gz WJIPCSSEZICXJH-MRXNPFEDSA-N 1 0 397.313 2.755 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(F)c1I ZINC000532740147 564944075 /nfs/dbraw/zinc/94/40/75/564944075.db2.gz BALDADSKGXOMOV-LLVKDONJSA-N 1 0 390.240 2.987 10 0 GFAERO C[C@@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@@H]1C[NH3+] ZINC000638897556 565216370 /nfs/dbraw/zinc/21/63/70/565216370.db2.gz BEWXZXLFEIDLRZ-BDAKNGLRSA-N 1 0 376.092 2.878 10 0 GFAERO C[C@H]1CN(C(=O)c2scc(Br)c2Br)C[C@@H]1C[NH3+] ZINC000638906982 565217237 /nfs/dbraw/zinc/21/72/37/565217237.db2.gz WTNFAJVRUWBWAS-BQBZGAKWSA-N 1 0 382.121 2.940 10 0 GFAERO O=C([C@@H]1CCC(=O)N(Cc2ccccc2F)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000011874400 570442424 /nfs/dbraw/zinc/44/24/24/570442424.db2.gz SIBLWQXRUOGXOH-GOSISDBHSA-N 1 0 387.499 2.651 10 0 GFAERO CN1CC2(CC[NH+](Cc3ccc(C(=O)Nc4cccnc4)cc3)CC2)OC1=O ZINC000065405402 570766347 /nfs/dbraw/zinc/76/63/47/570766347.db2.gz JYDSZZQRAZNOQG-UHFFFAOYSA-N 1 0 380.448 2.751 10 0 GFAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Cc1ccccc1I ZINC000123198582 654752898 /nfs/dbraw/zinc/75/28/98/654752898.db2.gz XXUCVIJFTXABFB-AWEZNQCLSA-N 1 0 388.293 2.926 10 0 GFAERO C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2Cl)C[C@@H]1[NH+](C)C ZINC000124019339 654768881 /nfs/dbraw/zinc/76/88/81/654768881.db2.gz FODZIXQICZEXTO-CABZTGNLSA-N 1 0 381.723 2.673 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccccc1I ZINC000125418377 654793909 /nfs/dbraw/zinc/79/39/09/654793909.db2.gz CSYIVSBLSYQCOX-LSDHHAIUSA-N 1 0 398.288 2.919 10 0 GFAERO C[N@H+](C[C@H](O)COCc1ccccc1)[C@@H](CO)c1cccc(Br)c1 ZINC000125535080 654797212 /nfs/dbraw/zinc/79/72/12/654797212.db2.gz RSTFMJDOMVCJQQ-OALUTQOASA-N 1 0 394.309 2.992 10 0 GFAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000068222907 654957927 /nfs/dbraw/zinc/95/79/27/654957927.db2.gz FTNBNIUPXRFBHF-MRXNPFEDSA-N 1 0 398.345 2.662 10 0 GFAERO CCOCC[N@@H+]1CCN(C[C@H](O)c2cccc(Br)c2)C[C@@H]1CC ZINC000106118854 655103758 /nfs/dbraw/zinc/10/37/58/655103758.db2.gz KTGVFBCRJIYUEQ-ROUUACIJSA-N 1 0 385.346 2.915 10 0 GFAERO C[NH+](C)C[C@H]1CN(Cc2coc(-c3ccc(Br)cc3)n2)CCO1 ZINC000108868037 655138869 /nfs/dbraw/zinc/13/88/69/655138869.db2.gz FNEFAUIHGKVTNN-INIZCTEOSA-N 1 0 380.286 2.867 10 0 GFAERO C[NH+](C)C[C@H]1CN(Cc2ncc(-c3ccc(Br)cc3)o2)CCO1 ZINC000173701206 655176447 /nfs/dbraw/zinc/17/64/47/655176447.db2.gz CQOOXRJNMMBHFE-HNNXBMFYSA-N 1 0 380.286 2.867 10 0 GFAERO O=C(CSC(F)(F)F)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000174855432 655209205 /nfs/dbraw/zinc/20/92/05/655209205.db2.gz JQCYZCZMYKEFKJ-HNNXBMFYSA-N 1 0 376.444 2.801 10 0 GFAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1c(F)cccc1Br ZINC000176079236 655234480 /nfs/dbraw/zinc/23/44/80/655234480.db2.gz AXTKAYGRSAKXJX-LLVKDONJSA-N 1 0 388.281 2.619 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)CCO1 ZINC000116782953 655253223 /nfs/dbraw/zinc/25/32/23/655253223.db2.gz ZJMWQLDWUACOGS-AWEZNQCLSA-N 1 0 383.279 2.582 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CCO1 ZINC000116788775 655253622 /nfs/dbraw/zinc/25/36/22/655253622.db2.gz XYXMNLBCUPRVDG-LBPRGKRZSA-N 1 0 385.942 2.857 10 0 GFAERO CC[C@H]1CN(C(=O)CCc2ccccc2Br)CC[N@@H+]1CCOC ZINC000117300462 655263547 /nfs/dbraw/zinc/26/35/47/655263547.db2.gz DIZXSMJSLANAQO-INIZCTEOSA-N 1 0 383.330 2.951 10 0 GFAERO CCOc1ccc(Br)cc1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000118818059 655282819 /nfs/dbraw/zinc/28/28/19/655282819.db2.gz KMZUXHXPYFHJMY-ZDUSSCGKSA-N 1 0 386.290 2.642 10 0 GFAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(Br)c(F)c3)C2=O)n(C)n1 ZINC000178400820 655302767 /nfs/dbraw/zinc/30/27/67/655302767.db2.gz RLSYZVLTVIVWFY-OAHLLOKOSA-N 1 0 395.276 2.915 10 0 GFAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccc(C=O)cc1Br ZINC000119449089 655304135 /nfs/dbraw/zinc/30/41/35/655304135.db2.gz MOCMFWFCSWPKGQ-OAHLLOKOSA-N 1 0 397.313 2.877 10 0 GFAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000236895527 655425151 /nfs/dbraw/zinc/42/51/51/655425151.db2.gz XJGNIYWBIGIHNZ-UFGOTCBOSA-N 1 0 378.826 2.822 10 0 GFAERO CCc1nc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])nn1-c1c(Cl)cccc1Cl ZINC000237027842 655425530 /nfs/dbraw/zinc/42/55/30/655425530.db2.gz QMOVAJHPYRYPEP-GXFFZTMASA-N 1 0 382.295 2.994 10 0 GFAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000246099136 655429076 /nfs/dbraw/zinc/42/90/76/655429076.db2.gz HINAGOQUVWYLLA-GXSJLCMTSA-N 1 0 396.738 2.505 10 0 GFAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000246747453 655430579 /nfs/dbraw/zinc/43/05/79/655430579.db2.gz ZNDXXOGITLURBF-ZNVLZIIHSA-N 1 0 387.343 2.581 10 0 GFAERO CC[C@H]([NH2+][C@H](C)CS(=O)(=O)CC)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000249117050 655433814 /nfs/dbraw/zinc/43/38/14/655433814.db2.gz YSTBPLXXFHKYQA-OWCLPIDISA-N 1 0 376.563 2.967 10 0 GFAERO C[NH2+][C@@H](C)CNC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000261663329 655441734 /nfs/dbraw/zinc/44/17/34/655441734.db2.gz GCZARPFPVZVRBH-LBPRGKRZSA-N 1 0 391.313 2.851 10 0 GFAERO CCOC(=O)C[C@H](NC(=O)CC[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000261818004 655442527 /nfs/dbraw/zinc/44/25/27/655442527.db2.gz HSEIBWNVSXSNGD-CJNGLKHVSA-N 1 0 397.313 2.949 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C[NH2+]Cc2sccc2Br)C1 ZINC000702764942 655521765 /nfs/dbraw/zinc/52/17/65/655521765.db2.gz PTIVHZOEPJZHAI-JQWIXIFHSA-N 1 0 391.331 2.828 10 0 GFAERO C[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000723847284 655525513 /nfs/dbraw/zinc/52/55/13/655525513.db2.gz DSGYZNMXNJDNAE-HUUCEWRRSA-N 1 0 376.563 2.682 10 0 GFAERO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([N@H+](C)Cc1cc(C)no1)C2 ZINC000014749501 210126034 /nfs/dbraw/zinc/12/60/34/210126034.db2.gz VSSRFKZKVZCVFD-MRXNPFEDSA-N 1 0 385.512 2.815 10 0 GFAERO O=C(NCc1ccccc1)c1nn(CCO)c2c1C[N@@H+](C[C@H]1CC=CCC1)CC2 ZINC000014542865 210121511 /nfs/dbraw/zinc/12/15/11/210121511.db2.gz RACBOGKQJFCXTC-IBGZPJMESA-N 1 0 394.519 2.520 10 0 GFAERO COc1ccnc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)c1 ZINC000091416524 211191425 /nfs/dbraw/zinc/19/14/25/211191425.db2.gz KYSAZXJXULJCDF-JOCHJYFZSA-N 1 0 395.507 2.593 10 0 GFAERO C[N@@H+]1CC[C@](C)(CNC(=O)c2coc(COc3cccc4cnccc43)n2)C1 ZINC000067674198 211014643 /nfs/dbraw/zinc/01/46/43/211014643.db2.gz SSBQNVSLKVWYQS-OAQYLSRUSA-N 1 0 380.448 2.873 10 0 GFAERO Cc1ccsc1C[N@H+]1CCc2nnc(CNC(=O)Cc3ccccc3)n2CC1 ZINC000020775409 210361949 /nfs/dbraw/zinc/36/19/49/210361949.db2.gz QSKAKGFMJVZBDF-UHFFFAOYSA-N 1 0 395.532 2.565 10 0 GFAERO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]Cc1cccnc1)C2 ZINC000020451306 210335100 /nfs/dbraw/zinc/33/51/00/210335100.db2.gz DLCUQPBCUSIOKN-SFHVURJKSA-N 1 0 381.524 2.961 10 0 GFAERO Cc1sc2nc(CC[NH3+])nc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2c1C ZINC000065495243 136164120 /nfs/dbraw/zinc/16/41/20/136164120.db2.gz WQDUBULFFHHQNX-CABCVRRESA-N 1 0 395.532 2.595 10 0 GFAERO COCc1ccccc1NS(=O)(=O)c1ccc(C)c(N2CC[NH+](C)CC2)c1 ZINC000095578875 136182222 /nfs/dbraw/zinc/18/22/22/136182222.db2.gz JDSZMCNXGCKEAG-UHFFFAOYSA-N 1 0 389.521 2.694 10 0 GFAERO [NH3+][C@H]1CCCN(c2nc3ccsc3c(=O)n2CCOc2ccc(F)cc2)C1 ZINC000057344499 527402032 /nfs/dbraw/zinc/40/20/32/527402032.db2.gz XDAPNKSHNGOHQO-AWEZNQCLSA-N 1 0 388.468 2.604 10 0 GFAERO C[NH+](C)C[C@@H]1CN(Cc2nc(-c3cccc(Br)c3)c[nH]2)CCO1 ZINC000128202250 551347598 /nfs/dbraw/zinc/34/75/98/551347598.db2.gz XDEBABSQJXTXEZ-OAHLLOKOSA-N 1 0 379.302 2.602 10 0 GFAERO COCC[NH+]1CCC(NC(=O)N[C@H](C)c2ccccc2Br)CC1 ZINC000140214479 551393442 /nfs/dbraw/zinc/39/34/42/551393442.db2.gz BLXBCHKLQPJSIA-CYBMUJFWSA-N 1 0 384.318 2.920 10 0 GFAERO CC(C)C[N@@H+]1CCC[C@@H]1CN[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000155233971 551495004 /nfs/dbraw/zinc/49/50/04/551495004.db2.gz OVKATSTYORBSNL-CZUORRHYSA-N 1 0 386.309 2.825 10 0 GFAERO C[NH+](C)C[C@@H]1CN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CCO1 ZINC000155290670 551496465 /nfs/dbraw/zinc/49/64/65/551496465.db2.gz WGVVJSQZUBFJKT-SNVBAGLBSA-N 1 0 380.703 2.848 10 0 GFAERO COCCN1CCN(C(=O)[C@@H](C)Cc2ccc(Br)cc2)C[C@@H]1C ZINC000155556534 551502516 /nfs/dbraw/zinc/50/25/16/551502516.db2.gz QWFPPWVMNPLXPU-GJZGRUSLSA-N 1 0 383.330 2.807 10 0 GFAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000158270275 551549695 /nfs/dbraw/zinc/54/96/95/551549695.db2.gz DAGIWZSVQJVCHJ-HNNXBMFYSA-N 1 0 392.301 2.862 10 0 GFAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCN(Cc3ccc(Br)s3)CC2)C1 ZINC000163660452 551621315 /nfs/dbraw/zinc/62/13/15/551621315.db2.gz BHXXUCGSSNAUFC-QWHCGFSZSA-N 1 0 386.359 2.672 10 0 GFAERO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170843906 551641186 /nfs/dbraw/zinc/64/11/86/551641186.db2.gz NAEBYPCMFZKDQV-NSHDSACASA-N 1 0 388.693 2.512 10 0 GFAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000171083485 551646320 /nfs/dbraw/zinc/64/63/20/551646320.db2.gz OPUPEDZIXCSYDF-VIFPVBQESA-N 1 0 395.191 2.737 10 0 GFAERO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000173574454 552088489 /nfs/dbraw/zinc/08/84/89/552088489.db2.gz HFDDUBRUXPCOAQ-LBPRGKRZSA-N 1 0 376.810 2.862 10 0 GFAERO C[C@@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000174659721 552108258 /nfs/dbraw/zinc/10/82/58/552108258.db2.gz COSKFBUMWNQAEQ-GFCCVEGCSA-N 1 0 381.885 2.667 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000175544067 552124373 /nfs/dbraw/zinc/12/43/73/552124373.db2.gz RFDQWCJOFMQBOC-AWEZNQCLSA-N 1 0 397.313 2.706 10 0 GFAERO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178071605 552163781 /nfs/dbraw/zinc/16/37/81/552163781.db2.gz OONGOWUWGLHAET-ZIAGYGMSSA-N 1 0 387.307 2.941 10 0 GFAERO Brc1cc(CN2CCC[C@@H](Cn3cncn3)C2)cc2c1OCCO2 ZINC000179225213 552187420 /nfs/dbraw/zinc/18/74/20/552187420.db2.gz RAXQFNAUPUOLPD-CYBMUJFWSA-N 1 0 393.285 2.724 10 0 GFAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000179652924 552198984 /nfs/dbraw/zinc/19/89/84/552198984.db2.gz XWKUZYUWJIOCFQ-GFCCVEGCSA-N 1 0 390.281 2.703 10 0 GFAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCc2ccc(Br)cc2)CC1 ZINC000181724450 552266226 /nfs/dbraw/zinc/26/62/26/552266226.db2.gz LKFHEZHSBHNJMI-CQSZACIVSA-N 1 0 398.345 2.683 10 0 GFAERO COc1cc(Br)ccc1CN1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000182178174 552277673 /nfs/dbraw/zinc/27/76/73/552277673.db2.gz JXTOISLRSYBPCM-UHFFFAOYSA-N 1 0 393.329 2.899 10 0 GFAERO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)c1C ZINC000182861670 552294912 /nfs/dbraw/zinc/29/49/12/552294912.db2.gz CIECZUBBMFXQOD-LBPRGKRZSA-N 1 0 381.523 2.610 10 0 GFAERO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183128982 552301041 /nfs/dbraw/zinc/30/10/41/552301041.db2.gz NACOHXIWXPUOIV-RNCFNFMXSA-N 1 0 375.252 2.876 10 0 GFAERO C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000183476156 552310753 /nfs/dbraw/zinc/31/07/53/552310753.db2.gz LLDGBGIQJQBTGX-QGPMSJSTSA-N 1 0 389.323 2.890 10 0 GFAERO O=C1CCCN1CCC[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186086353 552378653 /nfs/dbraw/zinc/37/86/53/552378653.db2.gz VTVHPUIVWUITLN-SFHVURJKSA-N 1 0 389.297 2.931 10 0 GFAERO COCC[N@H+](C)CCCN[C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186107201 552379529 /nfs/dbraw/zinc/37/95/29/552379529.db2.gz ONAVSJUSYOXTBO-SFHVURJKSA-N 1 0 393.329 2.886 10 0 GFAERO COc1ccc(Br)c(S(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000188223265 552439821 /nfs/dbraw/zinc/43/98/21/552439821.db2.gz QMJUAJJWYZNJRK-GFCCVEGCSA-N 1 0 393.347 2.712 10 0 GFAERO CC[C@H]1CN(C(=O)Cc2cccc(Br)c2C)CC[N@@H+]1C[C@@H](C)O ZINC000188343740 552442989 /nfs/dbraw/zinc/44/29/89/552442989.db2.gz ZHPONOYNHANFLR-CJNGLKHVSA-N 1 0 383.330 2.604 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)c2scc(C)c2I)C1 ZINC000191234567 552522210 /nfs/dbraw/zinc/52/22/10/552522210.db2.gz KAXRKIJCNMAVGA-JTQLQIEISA-N 1 0 378.279 2.875 10 0 GFAERO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000192187008 552555006 /nfs/dbraw/zinc/55/50/06/552555006.db2.gz ZPOMKPUVYANLBR-WDEREUQCSA-N 1 0 386.279 2.636 10 0 GFAERO C[C@@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000192655732 552568474 /nfs/dbraw/zinc/56/84/74/552568474.db2.gz NXOQIKCZRFGFRA-NWDGAFQWSA-N 1 0 381.885 2.665 10 0 GFAERO C[C@@H]([NH2+]CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)c1cccs1 ZINC000192866320 552977005 /nfs/dbraw/zinc/97/70/05/552977005.db2.gz QLDJYFSVOBPHKJ-ZBFHGGJFSA-N 1 0 384.567 2.747 10 0 GFAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000192938245 552978735 /nfs/dbraw/zinc/97/87/35/552978735.db2.gz DWQSVKVHRFUQNO-INIZCTEOSA-N 1 0 379.913 2.878 10 0 GFAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(Br)cc2Br)C1 ZINC000218782094 553054547 /nfs/dbraw/zinc/05/45/47/553054547.db2.gz AWYAPNXITMBENC-SNVBAGLBSA-N 1 0 376.092 2.988 10 0 GFAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cc(Cl)ccc1I ZINC000221953732 553055260 /nfs/dbraw/zinc/05/52/60/553055260.db2.gz LXQYNTXKLKLDSM-JTQLQIEISA-N 1 0 392.668 2.968 10 0 GFAERO C[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000226812321 553062136 /nfs/dbraw/zinc/06/21/36/553062136.db2.gz YGUJCQLIXCCOOA-NOZJJQNGSA-N 1 0 392.668 2.967 10 0 GFAERO [NH3+]C[C@@H]1CCCN1C(=O)CCCCc1ccc(I)cc1 ZINC000237938889 553084076 /nfs/dbraw/zinc/08/40/76/553084076.db2.gz JOVLXZVXHIFBQS-HNNXBMFYSA-N 1 0 386.277 2.954 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cccc(I)c2)C1 ZINC000246081906 553102386 /nfs/dbraw/zinc/10/23/86/553102386.db2.gz ZZHYHNQALRTUJD-IUODEOHRSA-N 1 0 386.277 2.679 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccccc1I ZINC000246162168 553103532 /nfs/dbraw/zinc/10/35/32/553103532.db2.gz CSYIVSBLSYQCOX-GJZGRUSLSA-N 1 0 398.288 2.919 10 0 GFAERO Cc1cccc(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1Br ZINC000246317577 553105974 /nfs/dbraw/zinc/10/59/74/553105974.db2.gz RZZZCJUTXQPDEI-OLZOCXBDSA-N 1 0 375.332 2.765 10 0 GFAERO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000246767931 553112961 /nfs/dbraw/zinc/11/29/61/553112961.db2.gz QIABCNGAHFPGJU-QAPCUYQASA-N 1 0 393.281 2.737 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(S(=O)(=O)CC)ccc1Cl ZINC000246850170 553114371 /nfs/dbraw/zinc/11/43/71/553114371.db2.gz CIMPAWKOKLCMCQ-KGLIPLIRSA-N 1 0 384.929 2.832 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(O)c(Br)c1 ZINC000246955223 553115774 /nfs/dbraw/zinc/11/57/74/553115774.db2.gz NZXYXZAMYFJTLO-KBPBESRZSA-N 1 0 382.302 2.923 10 0 GFAERO CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC[N@@H+]1C[C@H](C)O ZINC000246982107 553116530 /nfs/dbraw/zinc/11/65/30/553116530.db2.gz UPCBHFAJNGLJBF-HNONPPJISA-N 1 0 395.341 2.856 10 0 GFAERO CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(Br)cc2)CC[N@@H+]1C[C@H](C)O ZINC000248460897 553130012 /nfs/dbraw/zinc/13/00/12/553130012.db2.gz TXWMRIHNHFSJGC-JJRVBVJISA-N 1 0 398.345 2.997 10 0 GFAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000261850330 553161000 /nfs/dbraw/zinc/16/10/00/553161000.db2.gz VSFBCHPGKNXGNG-CHWSQXEVSA-N 1 0 384.307 2.653 10 0 GFAERO [NH3+]C1(C(=O)NCC2(c3ccc(Br)cc3)CCCC2)CCOCC1 ZINC000261951241 553163209 /nfs/dbraw/zinc/16/32/09/553163209.db2.gz YZFCTKXILXHPGE-UHFFFAOYSA-N 1 0 381.314 2.885 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(F)c1I ZINC000533543944 564964986 /nfs/dbraw/zinc/96/49/86/564964986.db2.gz YPFIFYWIJMDAFS-WDEREUQCSA-N 1 0 388.224 2.739 10 0 GFAERO Cc1cccc(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c1I ZINC000596003837 565505834 /nfs/dbraw/zinc/50/58/34/565505834.db2.gz SVDWFXNNHBUQFD-VIFPVBQESA-N 1 0 386.155 2.561 10 0 GFAERO Cc1nc2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc2n(C)c1=O ZINC000035399582 570350142 /nfs/dbraw/zinc/35/01/42/570350142.db2.gz FYNDCXLBWKNBKV-UHFFFAOYSA-N 1 0 390.487 2.636 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)CCO1 ZINC000129647789 654869996 /nfs/dbraw/zinc/86/99/96/654869996.db2.gz ZUOMGFBUGIQTJV-CYBMUJFWSA-N 1 0 381.889 2.653 10 0 GFAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)C1 ZINC000133042060 654952917 /nfs/dbraw/zinc/95/29/17/654952917.db2.gz OXFAVJRKAABJKU-JSGCOSHPSA-N 1 0 376.469 2.826 10 0 GFAERO COc1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1Br ZINC000105223383 655089788 /nfs/dbraw/zinc/08/97/88/655089788.db2.gz BQGZWUTYVIBKKI-AWEZNQCLSA-N 1 0 382.302 2.837 10 0 GFAERO O=C(CC[N@@H+]1CCC[C@H](n2cncn2)C1)Nc1ccc(Br)cc1 ZINC000106218197 655105043 /nfs/dbraw/zinc/10/50/43/655105043.db2.gz PZQMTCIXUKZACH-HNNXBMFYSA-N 1 0 378.274 2.706 10 0 GFAERO CC[C@@H]1CN(C(=O)CCc2cccc(Br)c2)CC[N@@H+]1CCOC ZINC000117307352 655263570 /nfs/dbraw/zinc/26/35/70/655263570.db2.gz MBLQHALMLSMTFT-QGZVFWFLSA-N 1 0 383.330 2.951 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CSc1nnc(-c2cccs2)n1C ZINC000177042789 655265984 /nfs/dbraw/zinc/26/59/84/655265984.db2.gz UVRQUVUKWWFIFS-ZDUSSCGKSA-N 1 0 379.555 2.578 10 0 GFAERO COc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)nc1Br ZINC000180607945 655328676 /nfs/dbraw/zinc/32/86/76/655328676.db2.gz SPNVTRQTOXNGTR-AWEZNQCLSA-N 1 0 378.270 2.885 10 0 GFAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccnc(Br)c2)C1 ZINC000190581869 655393423 /nfs/dbraw/zinc/39/34/23/655393423.db2.gz AWSKUFBXHCOCCZ-OAHLLOKOSA-N 1 0 389.297 2.833 10 0 GFAERO COCCOc1cc(C(=O)NCC[NH+](C)C)cc2oc(Br)cc21 ZINC000223648358 655422264 /nfs/dbraw/zinc/42/22/64/655422264.db2.gz SZRSZYYHXKRPDZ-UHFFFAOYSA-N 1 0 385.258 2.512 10 0 GFAERO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000237111721 655425634 /nfs/dbraw/zinc/42/56/34/655425634.db2.gz NLPVOTZOAXUXSE-RISCZKNCSA-N 1 0 383.286 2.664 10 0 GFAERO C[NH2+][C@H](C)CNC(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 ZINC000261618845 655441407 /nfs/dbraw/zinc/44/14/07/655441407.db2.gz BDNPYNNHAOHYNK-SNVBAGLBSA-N 1 0 382.258 2.662 10 0 GFAERO CCOC(=O)C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000262645169 655446477 /nfs/dbraw/zinc/44/64/77/655446477.db2.gz UEQGOKMSHTVAHQ-QEJZJMRPSA-N 1 0 383.286 2.687 10 0 GFAERO CO[C@H]1CCC[N@@H+](C2CCN(c3ccc(CC(=O)N4CCCC4)cc3)CC2)C1 ZINC000014984432 210140057 /nfs/dbraw/zinc/14/00/57/210140057.db2.gz HJHIIJXJUOGPEP-QFIPXVFZSA-N 1 0 385.552 2.931 10 0 GFAERO Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]CCc1cccc(F)c1)C2 ZINC000014745834 210127832 /nfs/dbraw/zinc/12/78/32/210127832.db2.gz LOXOELROHWUCSE-SFHVURJKSA-N 1 0 384.499 2.875 10 0 GFAERO c1cc(-c2nc(Cn3cncn3)nn2-c2ccccc2)oc1C[NH+]1CCCC1 ZINC000096148995 211310608 /nfs/dbraw/zinc/31/06/08/211310608.db2.gz DIJNXKLYFPKNFX-UHFFFAOYSA-N 1 0 375.436 2.763 10 0 GFAERO CN1CC[C@H]([N@H+](C)CCC(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)C1 ZINC000077303694 211129417 /nfs/dbraw/zinc/12/94/17/211129417.db2.gz BRQUHCNACAZWJT-KRWDZBQOSA-N 1 0 379.932 2.736 10 0 GFAERO COc1ccc(CCCC(=O)N2CCC3(CC2)c2ccccc2[C@@H]([NH3+])[C@@H]3O)cc1 ZINC000072174576 211081962 /nfs/dbraw/zinc/08/19/62/211081962.db2.gz JEJZBQHSADHZBN-PKTZIBPZSA-N 1 0 394.515 2.953 10 0 GFAERO C[C@@H](Nc1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cn1)c1cccnc1 ZINC000071759756 211057407 /nfs/dbraw/zinc/05/74/07/211057407.db2.gz BBRKZLAAHUFCSV-QGZVFWFLSA-N 1 0 395.507 2.587 10 0 GFAERO COc1cc(-n2c(C)nc3cccnc32)c(Cl)cc1C(=O)NCC[NH+](C)C ZINC000021530205 210382877 /nfs/dbraw/zinc/38/28/77/210382877.db2.gz MKWYUOGPBWJLDJ-UHFFFAOYSA-N 1 0 387.871 2.682 10 0 GFAERO Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)CSc4nncn4C)C3)C2)c1 ZINC000020998036 210373529 /nfs/dbraw/zinc/37/35/29/210373529.db2.gz QZNHWPSILMWDCT-OAQYLSRUSA-N 1 0 399.564 2.730 10 0 GFAERO Cc1ccc(CCN2C[C@@H](C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)CC2=O)cc1 ZINC000020724528 210358181 /nfs/dbraw/zinc/35/81/81/210358181.db2.gz HJBUVFLFZJQTJX-CTNGQTDRSA-N 1 0 385.552 2.624 10 0 GFAERO CC[NH+]1CCN(c2cc(NC(=O)c3ccc(OC)c(OC)c3)c(N)cc2C)CC1 ZINC000226331137 136192773 /nfs/dbraw/zinc/19/27/73/136192773.db2.gz CKFWREBVIVXIFR-UHFFFAOYSA-N 1 0 398.507 2.989 10 0 GFAERO FC(F)(F)c1cccc(-n2nnc(CN3CC[NH2+]CC3)c2-c2ccncc2)c1 ZINC000057345344 527684887 /nfs/dbraw/zinc/68/48/87/527684887.db2.gz JBNZSBAOMJPPNJ-UHFFFAOYSA-N 1 0 388.397 2.753 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2csc(I)c2)C1 ZINC000155369363 551498266 /nfs/dbraw/zinc/49/82/66/551498266.db2.gz DEGGNZHWTXMPCF-KOLCDFICSA-N 1 0 378.279 2.811 10 0 GFAERO [NH3+][C@H]1CCC[C@H](C(=O)N2CCN(Cc3ccc(Br)s3)CC2)C1 ZINC000163660287 551621477 /nfs/dbraw/zinc/62/14/77/551621477.db2.gz BHXXUCGSSNAUFC-STQMWFEESA-N 1 0 386.359 2.672 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000176970884 552148333 /nfs/dbraw/zinc/14/83/33/552148333.db2.gz AMCVZSFKMUXYKF-ZDUSSCGKSA-N 1 0 383.286 2.777 10 0 GFAERO COc1cc(Br)ccc1CCCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000182632762 552289343 /nfs/dbraw/zinc/28/93/43/552289343.db2.gz QHFZMDYEBAHKND-MRXNPFEDSA-N 1 0 396.329 2.880 10 0 GFAERO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183129017 552301085 /nfs/dbraw/zinc/30/10/85/552301085.db2.gz NACOHXIWXPUOIV-NOZJJQNGSA-N 1 0 375.252 2.876 10 0 GFAERO Cc1cc2cc(C(=O)N3CCO[C@H](C[NH+](C)C)C3)oc2c(Br)c1 ZINC000183621494 552315310 /nfs/dbraw/zinc/31/53/10/552315310.db2.gz PMSNKXAKARTCNN-CYBMUJFWSA-N 1 0 381.270 2.906 10 0 GFAERO O[C@@H](C[N@@H+]1CCC[C@H](Cn2cncn2)C1)c1ccc(F)c(Br)c1 ZINC000185008514 552350731 /nfs/dbraw/zinc/35/07/31/552350731.db2.gz YVZYSRCJQYOTJI-LRDDRELGSA-N 1 0 383.265 2.625 10 0 GFAERO CNC(=O)[C@H]([NH2+]Cc1cc(Br)cc(Br)c1N)C(C)C ZINC000185866895 552372666 /nfs/dbraw/zinc/37/26/66/552372666.db2.gz IWGPOONZVBIRJM-GFCCVEGCSA-N 1 0 393.123 2.654 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Br)c(C)nc1OC ZINC000186631699 552392836 /nfs/dbraw/zinc/39/28/36/552392836.db2.gz UYLPHZYMWXCRAT-QWHCGFSZSA-N 1 0 382.302 2.860 10 0 GFAERO Cc1ccc(S(=O)(=O)CCCN2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000188092534 552434690 /nfs/dbraw/zinc/43/46/90/552434690.db2.gz BHPFNPYASPYXSA-HKUYNNGSSA-N 1 0 379.547 2.928 10 0 GFAERO CC[C@H]1CN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC[N@@H+]1C[C@@H](C)O ZINC000189915479 552482832 /nfs/dbraw/zinc/48/28/32/552482832.db2.gz KLHLYJLLYQGVBH-NEPJUHHUSA-N 1 0 382.917 2.709 10 0 GFAERO Cc1csc(CNC(=O)N2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)n1 ZINC000190688375 552505690 /nfs/dbraw/zinc/50/56/90/552505690.db2.gz SETJKNWZVXIUQG-AWEZNQCLSA-N 1 0 379.555 2.880 10 0 GFAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1cc2c(cc1Br)CCC2 ZINC000192472152 552565254 /nfs/dbraw/zinc/56/52/54/552565254.db2.gz HIHNQWIJIZZTTE-OAHLLOKOSA-N 1 0 396.329 2.906 10 0 GFAERO C[C@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000192800141 552973817 /nfs/dbraw/zinc/97/38/17/552973817.db2.gz GLJKQLUAUZSIQW-BBRMVZONSA-N 1 0 384.318 2.656 10 0 GFAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000193109621 552983867 /nfs/dbraw/zinc/98/38/67/552983867.db2.gz RANHXUGXQIGJKZ-NEPJUHHUSA-N 1 0 381.885 2.665 10 0 GFAERO [NH3+]C[C@@H]1CCCN1S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000193297932 552989663 /nfs/dbraw/zinc/98/96/63/552989663.db2.gz NXEWCBLVYFEJCS-ZETCQYMHSA-N 1 0 388.114 2.868 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000194147664 553012684 /nfs/dbraw/zinc/01/26/84/553012684.db2.gz YHGOMBFJVUOOBI-NSHDSACASA-N 1 0 377.794 2.898 10 0 GFAERO C[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C[C@@H]1[NH3+] ZINC000235645498 553068586 /nfs/dbraw/zinc/06/85/86/553068586.db2.gz BXTHKIBXJXVWTH-WKEGUHRASA-N 1 0 388.114 2.724 10 0 GFAERO C[C@H]1Cc2cc(S(=O)(=O)N3CCC[C@H]3Cn3ccnc3)cc(Cl)c2O1 ZINC000246241118 553105123 /nfs/dbraw/zinc/10/51/23/553105123.db2.gz RSLSXKZWUSZYIX-JSGCOSHPSA-N 1 0 381.885 2.713 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000246916654 553115867 /nfs/dbraw/zinc/11/58/67/553115867.db2.gz ITDHTGADEVXSNM-OLZOCXBDSA-N 1 0 381.270 2.877 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000247502254 553122944 /nfs/dbraw/zinc/12/29/44/553122944.db2.gz VDNBEVNZYDEWNO-BBRMVZONSA-N 1 0 389.297 2.944 10 0 GFAERO Cn1ncc(Br)c1CN(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261992495 553164026 /nfs/dbraw/zinc/16/40/26/553164026.db2.gz SMVUWWIXWINFPP-CQSZACIVSA-N 1 0 396.358 2.783 10 0 GFAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1cncc(Br)c1 ZINC000309881578 563435133 /nfs/dbraw/zinc/43/51/33/563435133.db2.gz JRVQHGUOGJUZOJ-ZDUSSCGKSA-N 1 0 398.326 2.643 10 0 GFAERO C[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000025695683 654552519 /nfs/dbraw/zinc/55/25/19/654552519.db2.gz JTZXRRXPJAMWRY-CJNGLKHVSA-N 1 0 383.897 2.834 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000041604755 654627837 /nfs/dbraw/zinc/62/78/37/654627837.db2.gz VXRQCYURIHOEFB-JTQLQIEISA-N 1 0 377.819 2.726 10 0 GFAERO CSCC[C@H]1NC(=S)N(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1=O ZINC000062427274 654845779 /nfs/dbraw/zinc/84/57/79/654845779.db2.gz DSOGRERWANVBJD-DLBZAZTESA-N 1 0 377.579 2.880 10 0 GFAERO CCC[C@@H](C(=O)Nc1ncn(Cc2cccc(Br)c2)n1)[NH+](C)C ZINC000094069936 655026856 /nfs/dbraw/zinc/02/68/56/655026856.db2.gz GILHGYWRFIKEMQ-AWEZNQCLSA-N 1 0 380.290 2.758 10 0 GFAERO CCCC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000101564220 655043964 /nfs/dbraw/zinc/04/39/64/655043964.db2.gz JKZBEKFESCBCGW-CVEARBPZSA-N 1 0 399.329 2.570 10 0 GFAERO C[N@H+](C[C@@H](O)c1cccc(Br)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106078247 655102071 /nfs/dbraw/zinc/10/20/71/655102071.db2.gz XGLVVYICTYYNAB-IAGOWNOFSA-N 1 0 391.313 2.873 10 0 GFAERO C[C@H](CNC(=O)N[C@@H](C)c1ccccc1Br)C[NH+]1CCN(C)CC1 ZINC000173400310 655170112 /nfs/dbraw/zinc/17/01/12/655170112.db2.gz FAAONALWDYGSQE-CABCVRRESA-N 1 0 397.361 2.693 10 0 GFAERO CC[C@@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1nc(C(F)(F)F)cs1 ZINC000173731171 655178115 /nfs/dbraw/zinc/17/81/15/655178115.db2.gz AIJQOFRRBBJKIA-GHMZBOCLSA-N 1 0 380.436 2.585 10 0 GFAERO CC[C@H](O)C[NH+]1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)CC1 ZINC000174075620 655191546 /nfs/dbraw/zinc/19/15/46/655191546.db2.gz RRTHSEKQJQRBIO-INIZCTEOSA-N 1 0 394.313 2.993 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)Cc2csc(-c3ccccc3Cl)n2)CCO1 ZINC000116796235 655253952 /nfs/dbraw/zinc/25/39/52/655253952.db2.gz DFYLWHLGXIWNGA-AWEZNQCLSA-N 1 0 379.913 2.795 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(C)cc1Br ZINC000176895232 655259412 /nfs/dbraw/zinc/25/94/12/655259412.db2.gz PHCVKGKYDIEXHW-ZDUSSCGKSA-N 1 0 382.302 2.639 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc(Br)c1C ZINC000176902468 655260013 /nfs/dbraw/zinc/26/00/13/655260013.db2.gz YNPDVDBKBOBTNA-ZDUSSCGKSA-N 1 0 382.302 2.639 10 0 GFAERO Cc1cc(Br)cc(C[N@H+]2CCCN(Cc3cnn(C)c3)CC2)c1O ZINC000180111107 655322045 /nfs/dbraw/zinc/32/20/45/655322045.db2.gz XSICNOXKCQEWPH-UHFFFAOYSA-N 1 0 393.329 2.905 10 0 GFAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(Cl)c(I)c1 ZINC000193630985 655411417 /nfs/dbraw/zinc/41/14/17/655411417.db2.gz WXOWGEXAFYORET-QPUJVOFHSA-N 1 0 378.641 2.815 10 0 GFAERO Brc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3COCCN3)C2)cc1 ZINC000261864311 655442844 /nfs/dbraw/zinc/44/28/44/655442844.db2.gz CMOAXHVQNBUHBE-JCHJZTRSSA-N 1 0 394.357 2.775 10 0 GFAERO C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC(F)(F)CN2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000263039913 655448830 /nfs/dbraw/zinc/44/88/30/655448830.db2.gz SSFVFZVJIPUCKW-DFBGVHRSSA-N 1 0 375.822 2.585 10 0 GFAERO Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([N@H+](C)Cc1ccccc1)C2 ZINC000014742364 210124716 /nfs/dbraw/zinc/12/47/16/210124716.db2.gz QXCQUOWUTRBCDP-QGZVFWFLSA-N 1 0 384.549 2.598 10 0 GFAERO CN1CCO[C@H](C[NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000394665771 563529999 /nfs/dbraw/zinc/52/99/99/563529999.db2.gz ZGRUIMANAFZRLU-CYBMUJFWSA-N 1 0 378.108 2.632 10 0 GFAERO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]Cc1cccnc1)C2 ZINC000020451308 210336732 /nfs/dbraw/zinc/33/67/32/210336732.db2.gz DLCUQPBCUSIOKN-GOSISDBHSA-N 1 0 381.524 2.961 10 0 GFAERO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c(Br)c1 ZINC000129260972 551355624 /nfs/dbraw/zinc/35/56/24/551355624.db2.gz MMFGVYZBFQYHDH-CQSZACIVSA-N 1 0 396.329 2.933 10 0 GFAERO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000150796100 551401617 /nfs/dbraw/zinc/40/16/17/551401617.db2.gz PQENXKCWGIZYIR-WFASDCNBSA-N 1 0 382.302 2.541 10 0 GFAERO COc1cc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CO)ccc1S(=O)(=O)C(F)F ZINC000153786728 551460580 /nfs/dbraw/zinc/46/05/80/551460580.db2.gz JBZWMXRLHWRRDS-YUTCNCBUSA-N 1 0 377.453 2.893 10 0 GFAERO C[NH+](C)C[C@H]1CN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CCO1 ZINC000155358586 551497898 /nfs/dbraw/zinc/49/78/98/551497898.db2.gz CIDNKKDVUYDSPX-LBPRGKRZSA-N 1 0 379.810 2.560 10 0 GFAERO O=S(=O)(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)c2ccccc21 ZINC000158929720 551558924 /nfs/dbraw/zinc/55/89/24/551558924.db2.gz PUZQMKOOSYFLOI-CQSZACIVSA-N 1 0 382.913 2.618 10 0 GFAERO O=S(=O)(NC[C@H](O)C[NH+]1CCCCC1)c1cc2cc(Cl)ccc2s1 ZINC000158980322 551559808 /nfs/dbraw/zinc/55/98/08/551559808.db2.gz FEMDRXASMQJKDL-AWEZNQCLSA-N 1 0 388.942 2.680 10 0 GFAERO C[C@H](NC(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000172800348 551687220 /nfs/dbraw/zinc/68/72/20/551687220.db2.gz GAZVUNYSWXDLQC-WMLDXEAASA-N 1 0 380.330 2.796 10 0 GFAERO C[C@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000175754166 552128033 /nfs/dbraw/zinc/12/80/33/552128033.db2.gz NLKHVSQNWYBBQY-GJZGRUSLSA-N 1 0 396.329 2.874 10 0 GFAERO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177246048 552152418 /nfs/dbraw/zinc/15/24/18/552152418.db2.gz ALUCHTHCRBKAMF-WWGRRREGSA-N 1 0 386.323 2.973 10 0 GFAERO COC(=O)Cn1cc(CC[NH2+][C@@H](C)c2c(Cl)ccc(F)c2Cl)nn1 ZINC000179543141 552196184 /nfs/dbraw/zinc/19/61/84/552196184.db2.gz BEKCHBGGPLLWJG-VIFPVBQESA-N 1 0 375.231 2.790 10 0 GFAERO CC[C@H]1CN(C(=O)Cc2ccc(Br)cc2C)CC[N@@H+]1C[C@@H](C)O ZINC000182212124 552278487 /nfs/dbraw/zinc/27/84/87/552278487.db2.gz VEKXBQAIBRLNQJ-PBHICJAKSA-N 1 0 383.330 2.604 10 0 GFAERO C[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc(Br)c1)C(=O)N1CCCCC1 ZINC000182579917 552288571 /nfs/dbraw/zinc/28/85/71/552288571.db2.gz GWUBRROKWOEPTB-KBPBESRZSA-N 1 0 396.329 2.617 10 0 GFAERO O[C@H](CNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)C[NH+]1CCCCC1 ZINC000183501213 552311122 /nfs/dbraw/zinc/31/11/22/552311122.db2.gz KMWYPCQHRGSRET-OAHLLOKOSA-N 1 0 384.311 2.511 10 0 GFAERO O=C(Nc1ccc(Cl)cc1OC(F)F)N1CC[C@H](N2CCOCC2)C1 ZINC000184399372 552334820 /nfs/dbraw/zinc/33/48/20/552334820.db2.gz QEJXAMGNQCSDDW-LBPRGKRZSA-N 1 0 375.803 2.880 10 0 GFAERO O[C@]1(C[NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)CCSC1 ZINC000186233383 552382693 /nfs/dbraw/zinc/38/26/93/552382693.db2.gz CYCBMDCEAGOIPN-CVEARBPZSA-N 1 0 380.311 2.786 10 0 GFAERO CC[C@H]1CN(C(=O)Cc2ccc(F)cc2Br)CC[N@@H+]1CCOC ZINC000188166285 552437746 /nfs/dbraw/zinc/43/77/46/552437746.db2.gz LCBIXMOQEJTLPD-HNNXBMFYSA-N 1 0 387.293 2.700 10 0 GFAERO Cc1c(Br)cccc1CC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000188718218 552453090 /nfs/dbraw/zinc/45/30/90/552453090.db2.gz ZUFWIDURVZUIPG-CQSZACIVSA-N 1 0 397.357 2.851 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc(I)cc1 ZINC000190934146 552513992 /nfs/dbraw/zinc/51/39/92/552513992.db2.gz KOWMCWDCWHHPKB-IUODEOHRSA-N 1 0 384.261 2.529 10 0 GFAERO O=C(c1nc(Br)ccc1Br)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000191351949 552525949 /nfs/dbraw/zinc/52/59/49/552525949.db2.gz BCGDJJISMKRVFO-SECBINFHSA-N 1 0 389.091 2.527 10 0 GFAERO CN(CC(=O)OC(C)(C)C)C1CCN(C(=O)CSCC(F)(F)F)CC1 ZINC000191914912 552542270 /nfs/dbraw/zinc/54/22/70/552542270.db2.gz ITSAVFHLGHUMSY-UHFFFAOYSA-N 1 0 384.464 2.546 10 0 GFAERO CC[C@@H](O)C[NH+]1CCN([C@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)CC1 ZINC000192045246 552547145 /nfs/dbraw/zinc/54/71/45/552547145.db2.gz MIUYLDQYJGTXMQ-CJNGLKHVSA-N 1 0 375.296 2.596 10 0 GFAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccccc2F)C1 ZINC000192932911 552978512 /nfs/dbraw/zinc/97/85/12/552978512.db2.gz XOUSPWMQHXHWOM-CQSZACIVSA-N 1 0 383.514 2.733 10 0 GFAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(I)c(O)c1 ZINC000230890644 553065935 /nfs/dbraw/zinc/06/59/35/553065935.db2.gz RALPDRYSCOKAOQ-GFCCVEGCSA-N 1 0 390.265 2.703 10 0 GFAERO CC[C@H]1CN(C(=O)Cc2ccc(Br)cc2C)CC[N@@H+]1C[C@H](C)O ZINC000245533240 553091986 /nfs/dbraw/zinc/09/19/86/553091986.db2.gz VEKXBQAIBRLNQJ-YOEHRIQHSA-N 1 0 383.330 2.604 10 0 GFAERO Cc1ccc(Br)c(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000245601928 553093628 /nfs/dbraw/zinc/09/36/28/553093628.db2.gz VWSKFOHPCSOFNS-DOMZBBRYSA-N 1 0 382.302 2.541 10 0 GFAERO Cn1cc(C[N@@H+]2CCCN(C[C@@H](O)c3ccc(Cl)cc3Cl)CC2)cn1 ZINC000245673429 553094796 /nfs/dbraw/zinc/09/47/96/553094796.db2.gz SOJSPSYLEFPUMS-GOSISDBHSA-N 1 0 383.323 2.968 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(OC(F)F)c(Br)c2)C[C@H]1C ZINC000245850912 553097576 /nfs/dbraw/zinc/09/75/76/553097576.db2.gz MJDSFJGPDLQYNQ-NEPJUHHUSA-N 1 0 393.272 2.937 10 0 GFAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3)C[C@@H]12 ZINC000248588102 553131172 /nfs/dbraw/zinc/13/11/72/553131172.db2.gz GNZMLMUMODPLQR-OXUXUCFPSA-N 1 0 382.291 2.542 10 0 GFAERO COc1cc(Br)ccc1CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000249288001 553141610 /nfs/dbraw/zinc/14/16/10/553141610.db2.gz UEHVXJPAQUJWRE-IUODEOHRSA-N 1 0 384.318 2.986 10 0 GFAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccccc1I ZINC000252661702 553150471 /nfs/dbraw/zinc/15/04/71/553150471.db2.gz OFAPHGQNFSHMDC-OLZOCXBDSA-N 1 0 384.261 2.990 10 0 GFAERO Cn1ncc(Br)c1CN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000261658796 553155412 /nfs/dbraw/zinc/15/54/12/553155412.db2.gz BLYBFMRAGJGOTB-OAHLLOKOSA-N 1 0 378.318 2.722 10 0 GFAERO C[NH+](C)C[C@H]1CN(c2nn3cc(-c4ccc(Cl)cc4)nc3s2)CCO1 ZINC000302560608 563426771 /nfs/dbraw/zinc/42/67/71/563426771.db2.gz ZPQNGBDEAGGEFM-AWEZNQCLSA-N 1 0 377.901 2.878 10 0 GFAERO C[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000602590697 565856733 /nfs/dbraw/zinc/85/67/33/565856733.db2.gz DJRRNLOZNXXWLA-SCZZXKLOSA-N 1 0 378.641 2.611 10 0 GFAERO O=C(CN(C(=O)c1ccc(C(F)(F)F)cc1)C1CCCC1)N1CC[NH2+]CC1 ZINC000033032474 570669417 /nfs/dbraw/zinc/66/94/17/570669417.db2.gz NQBNCRJBBOOMMT-UHFFFAOYSA-N 1 0 383.414 2.522 10 0 GFAERO COCCN1C(=O)C[C@@H](C[NH2+]Cc2csc3ccccc23)[C@@H]1c1cnn(C)c1 ZINC000275260192 570689358 /nfs/dbraw/zinc/68/93/58/570689358.db2.gz HTWKHOIGACMPFY-YCRPNKLZSA-N 1 0 398.532 2.961 10 0 GFAERO Ic1cc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)cs1 ZINC000124464406 654776178 /nfs/dbraw/zinc/77/61/78/654776178.db2.gz ZPKUTBNSXGISKX-QMMMGPOBSA-N 1 0 375.235 2.945 10 0 GFAERO CC[C@@H](Cc1ccccc1Br)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000134365674 654991963 /nfs/dbraw/zinc/99/19/63/654991963.db2.gz YUOUEDLWKTUCNZ-GOEBONIOSA-N 1 0 383.330 2.807 10 0 GFAERO CC[C@H](Cc1ccccc1Br)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000134365696 654992047 /nfs/dbraw/zinc/99/20/47/654992047.db2.gz YUOUEDLWKTUCNZ-GDBMZVCRSA-N 1 0 383.330 2.807 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1csc(I)c1 ZINC000096537342 655031531 /nfs/dbraw/zinc/03/15/31/655031531.db2.gz XGBKJIXWGNQWCU-GXSJLCMTSA-N 1 0 376.263 2.661 10 0 GFAERO CCn1cnnc1[C@H]1CCC[N@H+](C[C@H](O)c2cccc(Br)c2)C1 ZINC000103476081 655073033 /nfs/dbraw/zinc/07/30/33/655073033.db2.gz VAEGHOZIHMMWNR-HOCLYGCPSA-N 1 0 379.302 2.974 10 0 GFAERO CC[C@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC[N@@H+]1CCOC ZINC000106113197 655103432 /nfs/dbraw/zinc/10/34/32/655103432.db2.gz OTQWAWYTFMYKJS-HOTGVXAUSA-N 1 0 391.339 2.776 10 0 GFAERO CC[C@@H]1CN(CCC(=O)Nc2ccccc2Br)CC[N@@H+]1CCOC ZINC000106113833 655103548 /nfs/dbraw/zinc/10/35/48/655103548.db2.gz PRSAYSXKWDERQU-OAHLLOKOSA-N 1 0 398.345 2.820 10 0 GFAERO O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106171536 655104491 /nfs/dbraw/zinc/10/44/91/655104491.db2.gz UKXRSBHIJNWWNF-DZGCQCFKSA-N 1 0 385.295 2.737 10 0 GFAERO C[NH+](C)C[C@@H]1CN(Cc2coc(-c3ccc(Br)cc3)n2)CCO1 ZINC000108868034 655138829 /nfs/dbraw/zinc/13/88/29/655138829.db2.gz FNEFAUIHGKVTNN-MRXNPFEDSA-N 1 0 380.286 2.867 10 0 GFAERO C[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)c1cccc(Br)c1 ZINC000173791978 655181432 /nfs/dbraw/zinc/18/14/32/655181432.db2.gz BKLAWBUNYCCNFI-LSDHHAIUSA-N 1 0 397.361 2.693 10 0 GFAERO CC[C@@H](O)C[NH+]1CCN(Cc2ncc(-c3cccc(Br)c3)o2)CC1 ZINC000174081848 655192060 /nfs/dbraw/zinc/19/20/60/655192060.db2.gz GNQKJGSXJBKXPI-MRXNPFEDSA-N 1 0 394.313 2.993 10 0 GFAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(Br)cc1)CC2 ZINC000112550888 655193558 /nfs/dbraw/zinc/19/35/58/655193558.db2.gz QAGKKYQGOPUYMN-BXUZGUMPSA-N 1 0 392.301 2.535 10 0 GFAERO COc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc(OC)c1Br ZINC000113232069 655205607 /nfs/dbraw/zinc/20/56/07/655205607.db2.gz ZPOPYJXRMRBWAP-DGCLKSJQSA-N 1 0 383.286 2.775 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000113228712 655205697 /nfs/dbraw/zinc/20/56/97/655205697.db2.gz QCGXBZVWWZBACU-CXAGYDPISA-N 1 0 389.297 2.944 10 0 GFAERO C[C@H](NC(=O)NCC1([NH+](C)C)CCOCC1)c1cccc(Br)c1 ZINC000114019600 655217364 /nfs/dbraw/zinc/21/73/64/655217364.db2.gz ULESHKRIOUSCJG-ZDUSSCGKSA-N 1 0 384.318 2.920 10 0 GFAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc(Br)c(F)c2)CC1 ZINC000176442434 655245495 /nfs/dbraw/zinc/24/54/95/655245495.db2.gz ICGXIGPKSHYYSJ-LBPRGKRZSA-N 1 0 387.293 2.753 10 0 GFAERO C[C@@H](CCc1ccc(Br)cc1)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117037896 655258723 /nfs/dbraw/zinc/25/87/23/655258723.db2.gz MQEYDHQBOLMIIH-WMLDXEAASA-N 1 0 398.345 2.742 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(C)cc1Br ZINC000176895212 655259468 /nfs/dbraw/zinc/25/94/68/655259468.db2.gz PHCVKGKYDIEXHW-CYBMUJFWSA-N 1 0 382.302 2.639 10 0 GFAERO COc1cc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc(Br)c1O ZINC000177557819 655281408 /nfs/dbraw/zinc/28/14/08/655281408.db2.gz NXEXMJORGHIYGT-CYBMUJFWSA-N 1 0 393.285 2.712 10 0 GFAERO O=C(/C=C/c1ccc(Cl)s1)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000177775746 655288393 /nfs/dbraw/zinc/28/83/93/655288393.db2.gz LQFMDQKMLLWHET-BVBGJJFLSA-N 1 0 376.909 2.950 10 0 GFAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(I)c(Cl)c1 ZINC000226270650 655422640 /nfs/dbraw/zinc/42/26/40/655422640.db2.gz ZBHYOESVNRSIHF-SKDRFNHKSA-N 1 0 378.641 2.802 10 0 GFAERO CC[C@H]1CN(C(=O)c2cccnc2SC(F)(F)F)CCN1C[C@H](C)O ZINC000246756253 655430510 /nfs/dbraw/zinc/43/05/10/655430510.db2.gz HIADDKRJENCUPX-RYUDHWBXSA-N 1 0 377.432 2.611 10 0 GFAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000248835809 655433411 /nfs/dbraw/zinc/43/34/11/655433411.db2.gz CXMWTNVFAYFDHE-IUIKQTSFSA-N 1 0 384.307 2.855 10 0 GFAERO Cc1csc(S(=O)(=O)N2CCC[C@H]([N@H+](C)CCc3ccccn3)C2)c1 ZINC000012373287 221185893 /nfs/dbraw/zinc/18/58/93/221185893.db2.gz VCRNIQJIEOIYQJ-KRWDZBQOSA-N 1 0 379.551 2.779 10 0 GFAERO O=C(CCN1CCCC1=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000012386789 221187807 /nfs/dbraw/zinc/18/78/07/221187807.db2.gz LQOAZELNMXVTCK-QFIPXVFZSA-N 1 0 375.557 2.894 10 0 GFAERO CC[C@H]1C[N@@H+]2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C/OC)C(=O)OC ZINC000014686820 221314810 /nfs/dbraw/zinc/31/48/10/221314810.db2.gz DAXYUDFNWXHGBE-YCBKVTMHSA-N 1 0 384.476 2.700 10 0 biogenic,in-vitro GFAERO CCN(CC)C(=O)c1cn([C@@H]2CCC[N@H+](Cc3ccc(NC(C)=O)cc3)C2)nn1 ZINC000014976836 221324042 /nfs/dbraw/zinc/32/40/42/221324042.db2.gz KYYJNJCKBCKUGO-LJQANCHMSA-N 1 0 398.511 2.556 10 0 GFAERO O=C(NCCC1=C[NH2+][C@@H]2C=CC(Cl)=C[C@H]12)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000100723484 222460779 /nfs/dbraw/zinc/46/07/79/222460779.db2.gz QUUMSXNYURVPGJ-SJLPKXTDSA-N 1 0 382.851 2.777 10 0 GFAERO COc1c(Br)cc(C[NH2+][C@@H]2CCCNC2=O)cc1Br ZINC000050395154 551160529 /nfs/dbraw/zinc/16/05/29/551160529.db2.gz GMHWUWAYGAZPBO-LLVKDONJSA-N 1 0 392.091 2.588 10 0 GFAERO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000152780022 551439527 /nfs/dbraw/zinc/43/95/27/551439527.db2.gz XCFSJTBKENYYHA-CYBMUJFWSA-N 1 0 390.281 2.601 10 0 GFAERO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000152780133 551439699 /nfs/dbraw/zinc/43/96/99/551439699.db2.gz XCFSJTBKENYYHA-ZDUSSCGKSA-N 1 0 390.281 2.601 10 0 GFAERO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cc(Br)c(=O)n(C)c2)C1 ZINC000159013932 551559635 /nfs/dbraw/zinc/55/96/35/551559635.db2.gz USAYQIJHHBCCIM-ZDUSSCGKSA-N 1 0 399.333 2.637 10 0 GFAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)N[C@H]1CCc2c1cccc2Br ZINC000170817204 551640398 /nfs/dbraw/zinc/64/03/98/551640398.db2.gz INUBQPIZKCQPMS-GUYCJALGSA-N 1 0 396.329 2.582 10 0 GFAERO Cc1c(C(=O)N2CC[C@H]([NH+](C)C)C2)cnn1-c1ccc(Br)cc1 ZINC000170867879 551641639 /nfs/dbraw/zinc/64/16/39/551641639.db2.gz QXMMYIXGRNISRN-HNNXBMFYSA-N 1 0 377.286 2.719 10 0 GFAERO CC(C)[N@H+]1C[C@H](NC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000177310276 552152801 /nfs/dbraw/zinc/15/28/01/552152801.db2.gz IOZNYKSYCZXTAP-NHYWBVRUSA-N 1 0 387.311 2.960 10 0 GFAERO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000178821663 552176449 /nfs/dbraw/zinc/17/64/49/552176449.db2.gz KRFOJKFTGLMXIE-ZBFHGGJFSA-N 1 0 380.330 2.654 10 0 GFAERO C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc(Br)c2)C[C@@H]1n1ccnc1 ZINC000179481223 552194338 /nfs/dbraw/zinc/19/43/38/552194338.db2.gz HNDINCZFWNYUIL-HFTRVMKXSA-N 1 0 394.313 2.968 10 0 GFAERO Brc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c2ncccc12 ZINC000179943917 552207670 /nfs/dbraw/zinc/20/76/70/552207670.db2.gz FTGGRJJLRTUXAF-OAHLLOKOSA-N 1 0 376.298 2.904 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(Br)c(Cl)c2)CCO1 ZINC000181247812 552251043 /nfs/dbraw/zinc/25/10/43/552251043.db2.gz KSZDHUTXXKTCND-LLVKDONJSA-N 1 0 376.682 2.897 10 0 GFAERO COC(=O)C1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(Br)c2)CC1 ZINC000182569767 552287894 /nfs/dbraw/zinc/28/78/94/552287894.db2.gz HQBCQMWSYMPYPA-QWHCGFSZSA-N 1 0 397.313 2.900 10 0 GFAERO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000183587936 552313975 /nfs/dbraw/zinc/31/39/75/552313975.db2.gz OYAQYJWGEJYFEU-HSMVNMDESA-N 1 0 375.296 2.594 10 0 GFAERO O=C1CCCN1CCC[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186086370 552378642 /nfs/dbraw/zinc/37/86/42/552378642.db2.gz VTVHPUIVWUITLN-GOSISDBHSA-N 1 0 389.297 2.931 10 0 GFAERO O=C(c1ncc(Br)cc1Br)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000186304958 552384374 /nfs/dbraw/zinc/38/43/74/552384374.db2.gz PJTVELTXOHTDES-SNVBAGLBSA-N 1 0 389.091 2.527 10 0 GFAERO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)Cc1ccc(Br)cc1 ZINC000189137022 552464155 /nfs/dbraw/zinc/46/41/55/552464155.db2.gz BIISXWLBVWFBBK-OAHLLOKOSA-N 1 0 377.348 2.845 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)C1 ZINC000190403514 552494662 /nfs/dbraw/zinc/49/46/62/552494662.db2.gz CPDSWKWOQUTCCP-ZDUSSCGKSA-N 1 0 382.302 2.605 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2scc(C)c2I)C1 ZINC000191234584 552522180 /nfs/dbraw/zinc/52/21/80/552522180.db2.gz KAXRKIJCNMAVGA-SNVBAGLBSA-N 1 0 378.279 2.875 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2cccc(Cl)c2Br)CCO1 ZINC000191711330 552535641 /nfs/dbraw/zinc/53/56/41/552535641.db2.gz LRUUMGCHZPXUIB-JTQLQIEISA-N 1 0 376.682 2.897 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2cccc(Cl)c2Br)CCO1 ZINC000191711312 552535709 /nfs/dbraw/zinc/53/57/09/552535709.db2.gz LRUUMGCHZPXUIB-SNVBAGLBSA-N 1 0 376.682 2.897 10 0 GFAERO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000234327361 553067194 /nfs/dbraw/zinc/06/71/94/553067194.db2.gz ZLGBSDXWEZJACT-JTQLQIEISA-N 1 0 381.723 2.675 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(F)cc1Br ZINC000246200045 553103774 /nfs/dbraw/zinc/10/37/74/553103774.db2.gz OOGBVUCJAPQXRQ-OLZOCXBDSA-N 1 0 391.306 2.836 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2cc(Cl)ccc2Br)C[C@H]1C ZINC000246183968 553103901 /nfs/dbraw/zinc/10/39/01/553103901.db2.gz HMIRFIGSLPFCPO-NEPJUHHUSA-N 1 0 389.721 2.559 10 0 GFAERO Cc1ccc(S(=O)(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c(Br)c1 ZINC000246175958 553104098 /nfs/dbraw/zinc/10/40/98/553104098.db2.gz MWYHPISBJJCBJP-TZMCWYRMSA-N 1 0 375.332 2.765 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(F)cc1Br ZINC000246200049 553104480 /nfs/dbraw/zinc/10/44/80/553104480.db2.gz OOGBVUCJAPQXRQ-STQMWFEESA-N 1 0 391.306 2.836 10 0 GFAERO C[C@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1N1CCOCC1 ZINC000246438017 553108007 /nfs/dbraw/zinc/10/80/07/553108007.db2.gz LUAYLAOOPGJKMX-SUMWQHHRSA-N 1 0 386.323 2.975 10 0 GFAERO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)sc1Br ZINC000246557287 553109828 /nfs/dbraw/zinc/10/98/28/553109828.db2.gz RIJDXUKYTHIMQT-MNOVXSKESA-N 1 0 379.345 2.676 10 0 GFAERO CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC[N@@H+]1C[C@H](C)O ZINC000246982135 553116741 /nfs/dbraw/zinc/11/67/41/553116741.db2.gz UPCBHFAJNGLJBF-OKDNKWQNSA-N 1 0 395.341 2.856 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(I)c(F)c1 ZINC000247022306 553117001 /nfs/dbraw/zinc/11/70/01/553117001.db2.gz GDPXMFGTUHNAIZ-PWSUYJOCSA-N 1 0 388.224 2.739 10 0 GFAERO Cc1ccc(CCC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c(Br)c1 ZINC000249372763 553142459 /nfs/dbraw/zinc/14/24/59/553142459.db2.gz XENSQVMPWLEPDF-CABCVRRESA-N 1 0 383.330 2.604 10 0 GFAERO COc1cc(NC(=O)CN2CCC([NH+]3CC=CC3)CC2)c(OC)cc1Cl ZINC000101424096 570822041 /nfs/dbraw/zinc/82/20/41/570822041.db2.gz NTLGLXUPTIQEEN-UHFFFAOYSA-N 1 0 379.888 2.632 10 0 GFAERO C[C@@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc(Br)c1 ZINC000129214491 654860648 /nfs/dbraw/zinc/86/06/48/654860648.db2.gz IYDHJFNEOAGNKU-OLZOCXBDSA-N 1 0 375.332 2.771 10 0 GFAERO CC[C@H]1CN(CC(=O)Nc2ccc(Br)c(C)c2)CC[N@@H+]1CCOC ZINC000106114825 655103352 /nfs/dbraw/zinc/10/33/52/655103352.db2.gz PITOGIOJRGARHE-INIZCTEOSA-N 1 0 398.345 2.739 10 0 GFAERO CC[C@H]1CN([C@@H](C)C(=O)Nc2ccccc2Br)CC[N@@H+]1CCOC ZINC000106114282 655103560 /nfs/dbraw/zinc/10/35/60/655103560.db2.gz BXOSWVOZLROBTO-GJZGRUSLSA-N 1 0 398.345 2.819 10 0 GFAERO CCOCC[N@@H+]1CCN(CC(=O)Nc2ccc(Br)cc2)C[C@H]1CC ZINC000106119782 655103826 /nfs/dbraw/zinc/10/38/26/655103826.db2.gz BGUPBPKSVXVGOL-QGZVFWFLSA-N 1 0 398.345 2.820 10 0 GFAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)COc1ccc(C=O)cc1Br ZINC000173833048 655182204 /nfs/dbraw/zinc/18/22/04/655182204.db2.gz DUCQMOFTWSLWEC-AWEZNQCLSA-N 1 0 385.302 2.733 10 0 GFAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCOc2ccccc2Br)C[C@@H]1C ZINC000174336218 655199872 /nfs/dbraw/zinc/19/98/72/655199872.db2.gz PWKMFETWDUFAQG-LSDHHAIUSA-N 1 0 399.329 2.522 10 0 GFAERO Cc1cccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1I ZINC000113227427 655205562 /nfs/dbraw/zinc/20/55/62/655205562.db2.gz RMOPHCQMFAAGFZ-QWHCGFSZSA-N 1 0 384.261 2.908 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000113222432 655205694 /nfs/dbraw/zinc/20/56/94/655205694.db2.gz OEDCUHXOROVKQE-SUMWQHHRSA-N 1 0 389.297 2.944 10 0 GFAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000175824695 655227286 /nfs/dbraw/zinc/22/72/86/655227286.db2.gz VQIANMHMNITYDF-GFCCVEGCSA-N 1 0 394.313 2.997 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000176270214 655242973 /nfs/dbraw/zinc/24/29/73/655242973.db2.gz OEUFVPYWIQOXRG-CYBMUJFWSA-N 1 0 375.441 2.631 10 0 GFAERO C[C@H](CCc1ccc(Br)cc1)NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117037906 655258708 /nfs/dbraw/zinc/25/87/08/655258708.db2.gz MQEYDHQBOLMIIH-PBHICJAKSA-N 1 0 398.345 2.742 10 0 GFAERO CC[C@H]1CN(C(=O)Cc2csc(-c3cccs3)n2)CC[N@@H+]1CCOC ZINC000117303929 655263674 /nfs/dbraw/zinc/26/36/74/655263674.db2.gz SGMKWIHVTSQABC-HNNXBMFYSA-N 1 0 379.551 2.983 10 0 GFAERO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000177968685 655293519 /nfs/dbraw/zinc/29/35/19/655293519.db2.gz NOCDQQGXRGSHDX-YJBOKZPZSA-N 1 0 393.281 2.737 10 0 GFAERO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000189317846 655386045 /nfs/dbraw/zinc/38/60/45/655386045.db2.gz KEHKLOVQLGEZNJ-GZMMTYOYSA-N 1 0 397.722 2.530 10 0 GFAERO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)sc2C)s1 ZINC000262645343 655446563 /nfs/dbraw/zinc/44/65/63/655446563.db2.gz SJIRXMMVSIDHAV-RYUDHWBXSA-N 1 0 378.523 2.882 10 0 GFAERO C[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000723847282 655525568 /nfs/dbraw/zinc/52/55/68/655525568.db2.gz DSGYZNMXNJDNAE-CABCVRRESA-N 1 0 376.563 2.682 10 0 GFAERO COc1ccc(F)c(CN2CCOc3ccc([C@@](C)(O)C[NH+](C)C)cc3C2)c1 ZINC000011815470 221128093 /nfs/dbraw/zinc/12/80/93/221128093.db2.gz HHTMRTJEFZHZNM-QFIPXVFZSA-N 1 0 388.483 2.998 10 0 GFAERO C[C@H](O)C[NH2+]C1CCN(c2ccc(C(=O)N3CCc4ccccc4C3)cc2)CC1 ZINC000011881304 221134442 /nfs/dbraw/zinc/13/44/42/221134442.db2.gz BBYAAMXJUZCTPQ-SFHVURJKSA-N 1 0 393.531 2.824 10 0 GFAERO CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)C[NH+](C)C)C3)c1 ZINC000012512093 221200630 /nfs/dbraw/zinc/20/06/30/221200630.db2.gz UTMRLIUMKNAAGR-QGZVFWFLSA-N 1 0 384.451 2.985 10 0 GFAERO Cc1cc(C[N@@H+](C)[C@@H]2CCc3c(c(C(=O)N4CCCCCC4)nn3C)C2)on1 ZINC000014743508 221315607 /nfs/dbraw/zinc/31/56/07/221315607.db2.gz BLDKTEKFGASRCG-MRXNPFEDSA-N 1 0 385.512 2.722 10 0 GFAERO CC(C)OCC[NH2+][C@@H]1CCc2c(c(C(=O)N(C)C)nn2Cc2ccccc2)C1 ZINC000014751255 221316256 /nfs/dbraw/zinc/31/62/56/221316256.db2.gz TUJZWMWPFKAGIW-GOSISDBHSA-N 1 0 384.524 2.505 10 0 GFAERO CSCCC[NH2+][C@H]1CCc2c(c(C(=O)N(C)C)nn2Cc2ccccc2)C1 ZINC000014752113 221316323 /nfs/dbraw/zinc/31/63/23/221316323.db2.gz ZSXWAPIISLNEPE-KRWDZBQOSA-N 1 0 386.565 2.833 10 0 GFAERO C[C@H](CNC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)C[NH+]1CCCCC1 ZINC000057042527 222028451 /nfs/dbraw/zinc/02/84/51/222028451.db2.gz PDIXLBSMHNNYNW-HZPDHXFCSA-N 1 0 381.542 2.572 10 0 GFAERO [NH3+][C@@H]1CCCN(c2nc3ccsc3c(=O)n2Cc2cc(F)ccc2F)C1 ZINC000057344543 527348562 /nfs/dbraw/zinc/34/85/62/527348562.db2.gz HJVVURXGQAESDG-CYBMUJFWSA-N 1 0 376.432 2.712 10 0 GFAERO CCC[NH+]1CCN(Cc2nc(-c3ccc(N4CCC[C@H](C)C4)nc3)no2)CC1 ZINC000065216069 534929386 /nfs/dbraw/zinc/92/93/86/534929386.db2.gz VTHXAKUMHKRHPH-KRWDZBQOSA-N 1 0 384.528 2.896 10 0 GFAERO COc1ccc(C(=O)Nc2cc(N3CC[NH+](C)CC3)c(C)cc2N)cc1OC ZINC000226331145 536776857 /nfs/dbraw/zinc/77/68/57/536776857.db2.gz UNYZWPZQFZQEEB-UHFFFAOYSA-N 1 0 384.480 2.599 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000043139030 551140997 /nfs/dbraw/zinc/14/09/97/551140997.db2.gz HJHLJKSEVLPDLP-NSHDSACASA-N 1 0 375.300 2.961 10 0 GFAERO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C)NC(N)=O ZINC000068311448 551191430 /nfs/dbraw/zinc/19/14/30/551191430.db2.gz RLVBNURYOXDOKY-GFCCVEGCSA-N 1 0 389.327 2.721 10 0 GFAERO CC[C@H]1CN(C(=O)NCc2ccccc2Br)CC[N@@H+]1CCOC ZINC000117486587 551214310 /nfs/dbraw/zinc/21/43/10/551214310.db2.gz HTVMZDJLULQMCD-HNNXBMFYSA-N 1 0 384.318 2.701 10 0 GFAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000121659239 551239182 /nfs/dbraw/zinc/23/91/82/551239182.db2.gz UMYOZHCHNSBNBA-LBPRGKRZSA-N 1 0 388.281 2.619 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1c(F)cccc1I ZINC000121805012 551243187 /nfs/dbraw/zinc/24/31/87/551243187.db2.gz VQUCFFLHILHERU-LLVKDONJSA-N 1 0 390.240 2.987 10 0 GFAERO Cc1ccc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)c(Br)c1 ZINC000121828990 551243453 /nfs/dbraw/zinc/24/34/53/551243453.db2.gz IGVUVLIPSRZEGL-CYBMUJFWSA-N 1 0 384.318 2.789 10 0 GFAERO O=C(c1c(F)cccc1I)N1CCN2CCCC[C@@H]2C1 ZINC000129828815 551360043 /nfs/dbraw/zinc/36/00/43/551360043.db2.gz LDZHKYQXAZCLPN-LLVKDONJSA-N 1 0 388.224 2.741 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(OC)cc2I)C1 ZINC000155678475 551505989 /nfs/dbraw/zinc/50/59/89/551505989.db2.gz WWZKZKGNRPYSOH-NSHDSACASA-N 1 0 388.249 2.514 10 0 GFAERO CC[C@@H]1CN(C(=O)NCc2sccc2Br)CC[N@@H+]1CCOC ZINC000172331901 551676366 /nfs/dbraw/zinc/67/63/66/551676366.db2.gz DLBHDKCNVCKKIW-GFCCVEGCSA-N 1 0 390.347 2.763 10 0 GFAERO CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000174609015 552106733 /nfs/dbraw/zinc/10/67/33/552106733.db2.gz UPCBHFAJNGLJBF-BNEJOLLZSA-N 1 0 395.341 2.856 10 0 GFAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC000176864112 552147770 /nfs/dbraw/zinc/14/77/70/552147770.db2.gz LPHYLUIMRXMGRE-ZDUSSCGKSA-N 1 0 389.323 2.923 10 0 GFAERO C[C@@H](NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ncc(Br)s1 ZINC000179201928 552186566 /nfs/dbraw/zinc/18/65/66/552186566.db2.gz UVZDFZSDLGGUTP-DOMZBBRYSA-N 1 0 396.354 2.975 10 0 GFAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(Br)c3cccnc23)C[C@H]1C ZINC000180099061 552213235 /nfs/dbraw/zinc/21/32/35/552213235.db2.gz INVIZNANRLBZOC-ZIAGYGMSSA-N 1 0 378.314 2.884 10 0 GFAERO COc1cc(Br)ccc1CCCN1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000181815635 552268189 /nfs/dbraw/zinc/26/81/89/552268189.db2.gz MPLSSFOAJPFHOI-HUUCEWRRSA-N 1 0 385.346 2.777 10 0 GFAERO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)s1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000182976212 552297488 /nfs/dbraw/zinc/29/74/88/552297488.db2.gz DBAGBYWZKOXNQS-NXEZZACHSA-N 1 0 387.914 2.727 10 0 GFAERO CC[C@@H]1CN(C[C@H](O)c2ccc(F)c(Br)c2)CC[N@@H+]1CCOC ZINC000185002371 552350539 /nfs/dbraw/zinc/35/05/39/552350539.db2.gz UBPAOVQWSHAOAR-PBHICJAKSA-N 1 0 389.309 2.664 10 0 GFAERO CN1C[C@@H]([NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)CCC1=O ZINC000186203453 552381501 /nfs/dbraw/zinc/38/15/01/552381501.db2.gz YWJUINXGMNUMMW-RDJZCZTQSA-N 1 0 375.270 2.539 10 0 GFAERO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000189463780 552472229 /nfs/dbraw/zinc/47/22/29/552472229.db2.gz URJXZHSRMMNEGN-NSHDSACASA-N 1 0 378.885 2.565 10 0 GFAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)NCCc2cscn2)C1 ZINC000190728631 552507642 /nfs/dbraw/zinc/50/76/42/552507642.db2.gz MPKAJWJHGGXIEJ-CQSZACIVSA-N 1 0 379.555 2.614 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)C[C@@H]1C ZINC000245810578 553097812 /nfs/dbraw/zinc/09/78/12/553097812.db2.gz ZFMJMYWVTGDJAN-GJZGRUSLSA-N 1 0 393.329 2.522 10 0 GFAERO CCn1cnnc1[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc(Br)c2)C1 ZINC000246182370 553103799 /nfs/dbraw/zinc/10/37/99/553103799.db2.gz VAEGHOZIHMMWNR-GDBMZVCRSA-N 1 0 379.302 2.974 10 0 GFAERO CC[C@@H]1CN(C(=O)[C@H](C)c2ccc(Br)s2)CC[N@@H+]1C[C@@H](C)O ZINC000246964126 553116430 /nfs/dbraw/zinc/11/64/30/553116430.db2.gz SXBINGOJQKBZDO-JHJVBQTASA-N 1 0 389.359 2.918 10 0 GFAERO O[C@@H](COc1ccc(Cl)cc1Br)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247592598 553123758 /nfs/dbraw/zinc/12/37/58/553123758.db2.gz JUZKEGWCRFYLCU-UONOGXRCSA-N 1 0 389.721 2.622 10 0 GFAERO O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247768635 553125006 /nfs/dbraw/zinc/12/50/06/553125006.db2.gz OMPKHVVIKPECDP-ZIAGYGMSSA-N 1 0 385.295 2.737 10 0 GFAERO O[C@@H](C[N@@H+]1CCC[C@@H](Cn2cncn2)C1)c1ccc(F)c(Br)c1 ZINC000248432304 553129244 /nfs/dbraw/zinc/12/92/44/553129244.db2.gz YVZYSRCJQYOTJI-WBMJQRKESA-N 1 0 383.265 2.625 10 0 GFAERO C[C@H](C[N@H+](C)C[C@@H](O)CN1CCCC1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000248865263 553136239 /nfs/dbraw/zinc/13/62/39/553136239.db2.gz ATUPIDJKKIDMAR-CHWSQXEVSA-N 1 0 375.296 2.676 10 0 GFAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(Oc2cccc(Br)c2)cc1 ZINC000262313552 553169189 /nfs/dbraw/zinc/16/91/89/553169189.db2.gz QRPNRECJWIMHSK-SUMWQHHRSA-N 1 0 391.265 2.552 10 0 GFAERO Cc1[nH+]c2ccc(Br)cc2c(NC[C@H](O)CN2CCOCC2)c1C ZINC000301717184 563410865 /nfs/dbraw/zinc/41/08/65/563410865.db2.gz HJKFUCUMESCMAM-HNNXBMFYSA-N 1 0 394.313 2.719 10 0 GFAERO COC(=O)c1cc2c(cc1F)[C@H]([NH3+])C[C@]1(CCN(C(=O)OC(C)(C)C)C1)O2 ZINC000725260145 570308290 /nfs/dbraw/zinc/30/82/90/570308290.db2.gz NGPXGZMLKZJRKR-KUHUBIRLSA-N 1 0 380.416 2.774 10 0 GFAERO [NH3+][C@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 ZINC000020432478 654524676 /nfs/dbraw/zinc/52/46/76/654524676.db2.gz OPGRVNFYFNAZBQ-QMMMGPOBSA-N 1 0 388.114 2.868 10 0 GFAERO Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000128244452 654842989 /nfs/dbraw/zinc/84/29/89/654842989.db2.gz OAWSWVKDHVVSQX-ZDUSSCGKSA-N 1 0 384.318 2.789 10 0 GFAERO CCOCC[N@@H+]1CCN(C(=O)Nc2cccnc2Br)C[C@H]1CC ZINC000133057892 654953580 /nfs/dbraw/zinc/95/35/80/654953580.db2.gz IOWWUFOCJAKBAY-CYBMUJFWSA-N 1 0 385.306 2.809 10 0 GFAERO CC[C@H]1CN([C@@H](C)C(=O)Nc2cccc(Br)c2)CC[N@@H+]1CCOC ZINC000106114979 655103453 /nfs/dbraw/zinc/10/34/53/655103453.db2.gz DHGYUBVNUNVKHZ-YOEHRIQHSA-N 1 0 398.345 2.819 10 0 GFAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000111815357 655177739 /nfs/dbraw/zinc/17/77/39/655177739.db2.gz DZXRSLIQPOLEGO-XJKSGUPXSA-N 1 0 384.318 2.920 10 0 GFAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Br)c1)CC2 ZINC000112550639 655193336 /nfs/dbraw/zinc/19/33/36/655193336.db2.gz NRQRZDODOPPYQG-FZMZJTMJSA-N 1 0 392.301 2.535 10 0 GFAERO C[C@H](NC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1ccc(Br)cc1 ZINC000113269980 655206566 /nfs/dbraw/zinc/20/65/66/655206566.db2.gz ZXFDGCXKKUCXPD-GRDNDAEWSA-N 1 0 380.330 2.795 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000113305236 655207919 /nfs/dbraw/zinc/20/79/19/655207919.db2.gz SQELTYXJXYDUAE-VHSXEESVSA-N 1 0 395.269 2.585 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(Br)ccc1Cl ZINC000113306068 655208017 /nfs/dbraw/zinc/20/80/17/655208017.db2.gz VTKFIXSXQUENTH-CMPLNLGQSA-N 1 0 393.734 2.960 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000113305911 655208021 /nfs/dbraw/zinc/20/80/21/655208021.db2.gz REOBXKNCZWCKTF-GHMZBOCLSA-N 1 0 380.844 2.799 10 0 GFAERO C[NH+](C)Cc1ccc(N2CCN(C(=O)c3cc(Cl)c(Cl)[nH]3)CC2)nc1 ZINC000114414128 655223640 /nfs/dbraw/zinc/22/36/40/655223640.db2.gz ZEQXYWPAMLIBPT-UHFFFAOYSA-N 1 0 382.295 2.741 10 0 GFAERO C[NH+](C)C[C@@H](NC(=O)c1cc(I)c[nH]1)c1ccccc1 ZINC000115322457 655235006 /nfs/dbraw/zinc/23/50/06/655235006.db2.gz UOEFHPWMGGOTAW-CQSZACIVSA-N 1 0 383.233 2.652 10 0 GFAERO CC[C@H]1CN(C(=O)c2cc(Cl)ccc2OC(F)F)CC[N@@H+]1C[C@@H](C)O ZINC000176499849 655247950 /nfs/dbraw/zinc/24/79/50/655247950.db2.gz NHEJKASAQGBXTQ-YPMHNXCESA-N 1 0 376.831 2.859 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CCO1 ZINC000116788774 655253527 /nfs/dbraw/zinc/25/35/27/655253527.db2.gz XYXMNLBCUPRVDG-GFCCVEGCSA-N 1 0 385.942 2.857 10 0 GFAERO CC[C@@H]1CN(Cn2nc(Cc3cccs3)oc2=S)CC[N@@H+]1CCOC ZINC000117324542 655264206 /nfs/dbraw/zinc/26/42/06/655264206.db2.gz ZIUSRAAVOSJKHG-CQSZACIVSA-N 1 0 382.555 2.858 10 0 GFAERO CCOCC[N@@H+]1CCN(C(=O)Nc2cncc(Br)c2)C[C@H]1CC ZINC000120317168 655334886 /nfs/dbraw/zinc/33/48/86/655334886.db2.gz ICUNCROIHGHYTE-OAHLLOKOSA-N 1 0 385.306 2.809 10 0 GFAERO C[C@@H](O)C[N@@H+]1CCN(CC2=Cc3cc(Br)ccc3OC2)C[C@H]1C ZINC000120644517 655341112 /nfs/dbraw/zinc/34/11/12/655341112.db2.gz YRNHTSZPLPNSEL-ZIAGYGMSSA-N 1 0 381.314 2.612 10 0 GFAERO Cc1c(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cnn1-c1cccc(Br)c1 ZINC000193648173 655411541 /nfs/dbraw/zinc/41/15/41/655411541.db2.gz ZKSQVGKRXXPFLV-MEDUHNTESA-N 1 0 377.286 2.814 10 0 GFAERO Cc1c(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cnn1-c1cccc(Br)c1 ZINC000193648157 655411550 /nfs/dbraw/zinc/41/15/50/655411550.db2.gz ZKSQVGKRXXPFLV-BZNIZROVSA-N 1 0 377.286 2.814 10 0 GFAERO CCc1nc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])nn1-c1c(Cl)cccc1Cl ZINC000237028743 655425497 /nfs/dbraw/zinc/42/54/97/655425497.db2.gz QMOVAJHPYRYPEP-GWCFXTLKSA-N 1 0 382.295 2.994 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000247988526 655432145 /nfs/dbraw/zinc/43/21/45/655432145.db2.gz ISDLKDXKJSYVIA-BDAKNGLRSA-N 1 0 384.370 2.629 10 0 GFAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000262519654 655446120 /nfs/dbraw/zinc/44/61/20/655446120.db2.gz XHYVPBMENROCLP-IIKSMHAQSA-N 1 0 382.291 2.746 10 0 GFAERO Cc1c[nH]c(CN(C)Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)n1 ZINC000011663256 212078119 /nfs/dbraw/zinc/07/81/19/212078119.db2.gz HESPDLDXVFOGSY-FQEVSTJZSA-N 1 0 386.540 2.966 10 0 GFAERO COc1ccc(Cn2cc(C(=O)N3CCC([C@H](C)[NH+]4CCCC4)CC3)nn2)cc1 ZINC000011840216 221130351 /nfs/dbraw/zinc/13/03/51/221130351.db2.gz QCDCKTVFQOBRNX-KRWDZBQOSA-N 1 0 397.523 2.672 10 0 GFAERO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(CC(C)C)cc3)C2)nc(N)n1 ZINC000012430137 221190969 /nfs/dbraw/zinc/19/09/69/221190969.db2.gz WOOHAQRIQOVEPB-LJQANCHMSA-N 1 0 381.524 2.960 10 0 GFAERO CCn1cc([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCC[N@H+]24)cn1 ZINC000012707987 221219459 /nfs/dbraw/zinc/21/94/59/221219459.db2.gz JSFUAZIFWRGACR-IPJJNNNSSA-N 1 0 380.492 2.850 10 0 GFAERO O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NCC1CC1 ZINC000013594182 221275781 /nfs/dbraw/zinc/27/57/81/221275781.db2.gz QBIPYIGHVBAPQP-OAQYLSRUSA-N 1 0 377.488 2.570 10 0 GFAERO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH+]1CCCCCC1)C2 ZINC000014743113 221315336 /nfs/dbraw/zinc/31/53/36/221315336.db2.gz JFPDQHXMECJYRT-SFHVURJKSA-N 1 0 388.556 2.745 10 0 GFAERO CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)C[NH+](C)C)C3)s1 ZINC000014995176 221324675 /nfs/dbraw/zinc/32/46/75/221324675.db2.gz GMTYYTWVWBWVSY-CQSZACIVSA-N 1 0 376.453 2.738 10 0 GFAERO O=C(NCCC[NH+]1CCCC1)[C@@H]1CCc2sc(C(=O)N3CCCC3)cc2C1 ZINC000065272951 222118435 /nfs/dbraw/zinc/11/84/35/222118435.db2.gz UTEWVXLCEPJRQD-MRXNPFEDSA-N 1 0 389.565 2.691 10 0 GFAERO CC1CCC(N2CC(=O)N(CCC[NH+](C)C)[C@H](c3cccs3)C2=O)CC1 ZINC000065273918 222120711 /nfs/dbraw/zinc/12/07/11/222120711.db2.gz GNENKEZAMOQZCZ-LADRWXRNSA-N 1 0 377.554 2.990 10 0 GFAERO CC(=O)N1CCC([N@@H+]2CC[C@]3(C2)CCCN(C(=O)OCC(C)(C)C)C3)CC1 ZINC000067514288 222148334 /nfs/dbraw/zinc/14/83/34/222148334.db2.gz TUEZVGODNIOWML-NRFANRHFSA-N 1 0 379.545 2.968 10 0 GFAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000049191472 551158043 /nfs/dbraw/zinc/15/80/43/551158043.db2.gz CXUMSZZNNWRHKF-RHSMWYFYSA-N 1 0 398.345 2.526 10 0 GFAERO COCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000141594616 551394261 /nfs/dbraw/zinc/39/42/61/551394261.db2.gz VXNUYBRBLDBPEC-GFCCVEGCSA-N 1 0 375.296 2.988 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000150792670 551401711 /nfs/dbraw/zinc/40/17/11/551401711.db2.gz LPRACSJLGDZCKC-NEPJUHHUSA-N 1 0 378.523 2.655 10 0 GFAERO C[N@H+](C[C@@H](O)c1ccccc1Br)[C@@H]1CCCN(c2cccnn2)C1 ZINC000152930580 551443209 /nfs/dbraw/zinc/44/32/09/551443209.db2.gz UDNCIPLDYYYCDU-RHSMWYFYSA-N 1 0 391.313 2.873 10 0 GFAERO Cc1ccc(Br)c(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000154440309 551474969 /nfs/dbraw/zinc/47/49/69/551474969.db2.gz VWSKFOHPCSOFNS-WFASDCNBSA-N 1 0 382.302 2.541 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(OC)c(I)c1 ZINC000154630262 551479425 /nfs/dbraw/zinc/47/94/25/551479425.db2.gz PNLQWPDISHUGSX-NSHDSACASA-N 1 0 390.265 2.760 10 0 GFAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000163489201 551620095 /nfs/dbraw/zinc/62/00/95/551620095.db2.gz POKLBJPZYXIGPB-NEPJUHHUSA-N 1 0 381.885 2.816 10 0 GFAERO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170843909 551641180 /nfs/dbraw/zinc/64/11/80/551641180.db2.gz NAEBYPCMFZKDQV-LLVKDONJSA-N 1 0 388.693 2.512 10 0 GFAERO COCC[N@@H+]1CCN(Cc2cc(OC)c(OC)cc2Br)C[C@@H]1C ZINC000170939445 551643883 /nfs/dbraw/zinc/64/38/83/551643883.db2.gz NKBYPFZMCSFTFI-ZDUSSCGKSA-N 1 0 387.318 2.619 10 0 GFAERO CC[C@@H]1CN(C(=O)CCc2cc(Br)cs2)CC[N@@H+]1C[C@@H](C)O ZINC000174617313 552106806 /nfs/dbraw/zinc/10/68/06/552106806.db2.gz RFUMWNFTKFMMTP-TZMCWYRMSA-N 1 0 389.359 2.747 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc(Br)ccc1F ZINC000175398665 552120857 /nfs/dbraw/zinc/12/08/57/552120857.db2.gz RMQRXCDMPVNOKX-LBPRGKRZSA-N 1 0 379.295 2.693 10 0 GFAERO COCCN1CCN(C(=O)CCc2ccc(Br)c(C)c2)C[C@@H]1C ZINC000176097502 552135472 /nfs/dbraw/zinc/13/54/72/552135472.db2.gz DFGHVJPRSTZSJK-HNNXBMFYSA-N 1 0 383.330 2.869 10 0 GFAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CCc2ccccc2Br)CC1 ZINC000176866979 552147596 /nfs/dbraw/zinc/14/75/96/552147596.db2.gz YMVFEDQOMVGCDL-HNNXBMFYSA-N 1 0 397.357 2.933 10 0 GFAERO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177697181 552157152 /nfs/dbraw/zinc/15/71/52/552157152.db2.gz HQPGPROQCHHBIA-LLVKDONJSA-N 1 0 375.778 2.604 10 0 GFAERO C[C@H]([NH2+]CC(=O)NCC(C)(C)N1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000181865395 552269890 /nfs/dbraw/zinc/26/98/90/552269890.db2.gz XVYJPYGGPILKMI-ZDUSSCGKSA-N 1 0 388.339 2.871 10 0 GFAERO COC(=O)C1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2cccc(Br)c2)CC1 ZINC000182569745 552287640 /nfs/dbraw/zinc/28/76/40/552287640.db2.gz HQBCQMWSYMPYPA-OLZOCXBDSA-N 1 0 397.313 2.900 10 0 GFAERO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000186612209 552392624 /nfs/dbraw/zinc/39/26/24/552392624.db2.gz ZMSUHXMEHBPSJW-SNVBAGLBSA-N 1 0 390.962 2.816 10 0 GFAERO CC[C@@H]1CN(C(=O)C2(c3ccccc3Br)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000188660834 552451348 /nfs/dbraw/zinc/45/13/48/552451348.db2.gz ZYXJWJNIHSGVEB-HUUCEWRRSA-N 1 0 395.341 2.784 10 0 GFAERO COCC[N@@H+]1CCN(CCOc2cc(F)cc(Br)c2)C[C@H]1C ZINC000188956363 552458947 /nfs/dbraw/zinc/45/89/47/552458947.db2.gz DMIKURMLCGCYKP-CYBMUJFWSA-N 1 0 375.282 2.620 10 0 GFAERO CCNc1ncc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)s1 ZINC000190711865 552506317 /nfs/dbraw/zinc/50/63/17/552506317.db2.gz RTIZUJQLBHWKFV-ZDUSSCGKSA-N 1 0 379.555 2.934 10 0 GFAERO C[C@H]([NH2+][C@@H](C)c1cccs1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000192680595 552971321 /nfs/dbraw/zinc/97/13/21/552971321.db2.gz KVBKLOPPERRJIP-STQMWFEESA-N 1 0 381.523 2.676 10 0 GFAERO C[C@@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000192800149 552973942 /nfs/dbraw/zinc/97/39/42/552973942.db2.gz GLJKQLUAUZSIQW-CJNGLKHVSA-N 1 0 384.318 2.656 10 0 GFAERO Cc1cc(S(=O)(=O)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c(C)s1 ZINC000192940939 552978742 /nfs/dbraw/zinc/97/87/42/552978742.db2.gz SPYDKBDBYAILGB-QGZVFWFLSA-N 1 0 379.551 2.903 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(O)c(Br)c1 ZINC000246955241 553115698 /nfs/dbraw/zinc/11/56/98/553115698.db2.gz NZXYXZAMYFJTLO-KGLIPLIRSA-N 1 0 382.302 2.923 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccccc1I ZINC000247029145 553117409 /nfs/dbraw/zinc/11/74/09/553117409.db2.gz UAKAVNBKVAHLHK-STQMWFEESA-N 1 0 384.261 2.990 10 0 GFAERO C[C@H](C(=O)Nc1nccs1)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000247548109 553124189 /nfs/dbraw/zinc/12/41/89/553124189.db2.gz DRJWFTUJVNRRRX-ZIAGYGMSSA-N 1 0 380.539 2.537 10 0 GFAERO Cc1csc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1I ZINC000248693100 553133055 /nfs/dbraw/zinc/13/30/55/553133055.db2.gz JWGSGEUQSRVCBI-MNOVXSKESA-N 1 0 390.290 2.970 10 0 GFAERO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)Oc1ccc(Br)cc1 ZINC000261934797 553162676 /nfs/dbraw/zinc/16/26/76/553162676.db2.gz MCTMVVNHXZONAZ-RNJTYBCJSA-N 1 0 383.330 2.963 10 0 GFAERO OCCN1CCC[C@H]([NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000384331269 563517821 /nfs/dbraw/zinc/51/78/21/563517821.db2.gz ALGXGMCRBPXYKC-LBPRGKRZSA-N 1 0 392.135 2.758 10 0 GFAERO CC(C)([NH3+])c1cn(Cc2cc(Cl)ccc2I)nn1 ZINC000405894463 563539597 /nfs/dbraw/zinc/53/95/97/563539597.db2.gz YCSIFVGWVSFYNT-UHFFFAOYSA-N 1 0 376.629 2.778 10 0 GFAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000290107957 563698592 /nfs/dbraw/zinc/69/85/92/563698592.db2.gz KVLGAQPWUDMQAS-UFBFGSQYSA-N 1 0 376.092 2.968 10 0 GFAERO CCC[NH+]1CCN(C(=O)[C@H]2CCc3sc(C(=O)N4CCCC4)cc3C2)CC1 ZINC000096398342 570642832 /nfs/dbraw/zinc/64/28/32/570642832.db2.gz WEDLIGFRMXKERQ-INIZCTEOSA-N 1 0 389.565 2.643 10 0 GFAERO CCn1nc(C(C)C)cc1C(=O)N1CCC2(CC1)c1ccccc1[C@@H]([NH3+])[C@@H]2O ZINC000072146358 570871565 /nfs/dbraw/zinc/87/15/65/570871565.db2.gz OVZYLSFHFSDIEE-UXHICEINSA-N 1 0 382.508 2.575 10 0 GFAERO O=C(CC[N@@H+]1CCC[C@@H](n2cncn2)C1)Nc1cccc(Br)c1 ZINC000124549190 654778381 /nfs/dbraw/zinc/77/83/81/654778381.db2.gz OLDDNLGCYTWQLE-OAHLLOKOSA-N 1 0 378.274 2.706 10 0 GFAERO COc1ccc(Br)cc1CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105209180 655089499 /nfs/dbraw/zinc/08/94/99/655089499.db2.gz XYOLSICJCQGHRT-OAHLLOKOSA-N 1 0 382.302 2.837 10 0 GFAERO CC[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(Br)c2)CC[N@@H+]1CCOC ZINC000106114977 655103295 /nfs/dbraw/zinc/10/32/95/655103295.db2.gz DHGYUBVNUNVKHZ-WMLDXEAASA-N 1 0 398.345 2.819 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)CCCc2ccc(Br)s2)CCO1 ZINC000116784372 655253264 /nfs/dbraw/zinc/25/32/64/655253264.db2.gz YIDXLFPSGUZOQH-GFCCVEGCSA-N 1 0 375.332 2.622 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)NCC(C)(C)c2cccc(Br)c2)CCO1 ZINC000117043018 655258686 /nfs/dbraw/zinc/25/86/86/655258686.db2.gz KTRXJINGRHOQNA-INIZCTEOSA-N 1 0 398.345 2.699 10 0 GFAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cc(F)ccc2Br)CC1 ZINC000176883412 655258920 /nfs/dbraw/zinc/25/89/20/655258920.db2.gz CJPTXJRARPEHQA-LBPRGKRZSA-N 1 0 387.293 2.753 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(Br)ccc1C ZINC000176899071 655259808 /nfs/dbraw/zinc/25/98/08/655259808.db2.gz BXOWEGMDBZVTOD-AWEZNQCLSA-N 1 0 382.302 2.639 10 0 GFAERO COCC[N@@H+]1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)C[C@@H]1C ZINC000120780380 655343976 /nfs/dbraw/zinc/34/39/76/655343976.db2.gz JACBDTZIHCUJLF-AWEZNQCLSA-N 1 0 393.329 2.992 10 0 GFAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)c(I)c1 ZINC000238078347 655427022 /nfs/dbraw/zinc/42/70/22/655427022.db2.gz DPSXRRLUZHJCLU-SKDRFNHKSA-N 1 0 378.641 2.802 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000246099145 655429039 /nfs/dbraw/zinc/42/90/39/655429039.db2.gz HINAGOQUVWYLLA-MWLCHTKSSA-N 1 0 396.738 2.505 10 0 GFAERO C[NH2+][C@@H](C)CNC(=O)c1ccc(OCc2cc(C)no2)c(Br)c1 ZINC000261789322 655442353 /nfs/dbraw/zinc/44/23/53/655442353.db2.gz QQZXTORUGRQTND-NSHDSACASA-N 1 0 382.258 2.662 10 0 GFAERO COC[C@@H]([NH3+])C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000262349068 655445241 /nfs/dbraw/zinc/44/52/41/655445241.db2.gz UGGIGJKVMGSYCB-JOYOIKCWSA-N 1 0 384.299 2.724 10 0 GFAERO CNC(=O)c1ccc([C@H]2CCCC[N@@H+]2C[C@@H](O)COCc2cccs2)n1C ZINC000328629621 212086739 /nfs/dbraw/zinc/08/67/39/212086739.db2.gz IKPWLQGGXKCJTO-CRAIPNDOSA-N 1 0 391.537 2.551 10 0 GFAERO COc1ccc(C(=O)N2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)c(OC)n1 ZINC000012199198 221166332 /nfs/dbraw/zinc/16/63/32/221166332.db2.gz SBWKKPGFAMMQAK-SFHVURJKSA-N 1 0 383.492 2.878 10 0 GFAERO COCC1CCN(C(=O)c2ccc(N3CC[NH2+][C@H](c4ccccc4)C3)nc2)CC1 ZINC000065256094 136162069 /nfs/dbraw/zinc/16/20/69/136162069.db2.gz QGFXZEGCUXDCCS-NRFANRHFSA-N 1 0 394.519 2.731 10 0 GFAERO [NH3+]C[C@H](NC(=O)c1cc(Br)ccc1Br)C(F)(F)F ZINC000401667948 563535408 /nfs/dbraw/zinc/53/54/08/563535408.db2.gz JASMLPNABFKHOZ-QMMMGPOBSA-N 1 0 389.997 2.831 10 0 GFAERO CC(C)Nc1ncc(C(=O)N2CCC[C@H]([N@@H+]3CCc4ccccc4C3)C2)cn1 ZINC000072168090 222214784 /nfs/dbraw/zinc/21/47/84/222214784.db2.gz RANVQLNJUJQCOS-FQEVSTJZSA-N 1 0 379.508 2.960 10 0 GFAERO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCO3)C1 ZINC000095504344 222336851 /nfs/dbraw/zinc/33/68/51/222336851.db2.gz UFYULJINAQOWOU-LJQANCHMSA-N 1 0 382.508 2.790 10 0 GFAERO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2noc3c2CCCC3)C1 ZINC000095511388 222342574 /nfs/dbraw/zinc/34/25/74/222342574.db2.gz YKQPQJMRVUNBIA-INIZCTEOSA-N 1 0 385.512 2.721 10 0 GFAERO COc1cc(CN2CC(c3ccccn3)C2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095521039 222346197 /nfs/dbraw/zinc/34/61/97/222346197.db2.gz OHTHQVAKCADCJQ-FQEVSTJZSA-N 1 0 399.535 2.770 10 0 GFAERO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1cccc(Br)c1)c1ccccc1 ZINC000049379035 551159088 /nfs/dbraw/zinc/15/90/88/551159088.db2.gz CIIGVUKBHWOCOQ-MRXNPFEDSA-N 1 0 390.281 2.807 10 0 GFAERO Cc1cc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)ccc1Br ZINC000121823949 551243578 /nfs/dbraw/zinc/24/35/78/551243578.db2.gz YXNBSTBTJDQLNT-CQSZACIVSA-N 1 0 384.318 2.789 10 0 GFAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000136979765 551390445 /nfs/dbraw/zinc/39/04/45/551390445.db2.gz COIBGGBZCMKLMI-HZPDHXFCSA-N 1 0 386.334 2.758 10 0 GFAERO CC[C@H]1CN(C(=O)Cc2cc(F)ccc2Br)CC[N@@H+]1CCOC ZINC000151167385 551408552 /nfs/dbraw/zinc/40/85/52/551408552.db2.gz BJBHGOMNPGLVGE-HNNXBMFYSA-N 1 0 387.293 2.700 10 0 GFAERO C[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(I)cc1 ZINC000151329114 551411545 /nfs/dbraw/zinc/41/15/45/551411545.db2.gz WHRWLXVHXPBQGQ-CZUORRHYSA-N 1 0 388.293 2.789 10 0 GFAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1ccc(O)c(Br)c1 ZINC000151571365 551416374 /nfs/dbraw/zinc/41/63/74/551416374.db2.gz IGHKVSOVVFENSP-MRXNPFEDSA-N 1 0 377.282 2.944 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000151865711 551422362 /nfs/dbraw/zinc/42/23/62/551422362.db2.gz CCRCHORDFYOZJI-NSHDSACASA-N 1 0 388.693 2.642 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(C)ccc1Br ZINC000154084813 551467530 /nfs/dbraw/zinc/46/75/30/551467530.db2.gz ULVGFTIPCFRCTK-CYBMUJFWSA-N 1 0 382.302 2.639 10 0 GFAERO C[C@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000163363074 551618982 /nfs/dbraw/zinc/61/89/82/551618982.db2.gz WJHKQDCFKOEVRF-ZDUSSCGKSA-N 1 0 380.897 2.711 10 0 GFAERO C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000170834061 551641146 /nfs/dbraw/zinc/64/11/46/551641146.db2.gz QFZKJIXSRPSQHR-YOEHRIQHSA-N 1 0 395.345 2.621 10 0 GFAERO COc1ccc(Br)cc1CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000172257982 551674384 /nfs/dbraw/zinc/67/43/84/551674384.db2.gz QOZGQCRQWHBRHD-SWLSCSKDSA-N 1 0 382.302 2.836 10 0 GFAERO O[C@@H](COc1cccc(Br)c1)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173880793 552095074 /nfs/dbraw/zinc/09/50/74/552095074.db2.gz KOUXWDWPUCMATF-SJLPKXTDSA-N 1 0 397.357 2.997 10 0 GFAERO Cn1ncc2c1CCC[C@@H]2[N@H+](C)C[C@H](O)COc1cccc(Br)c1 ZINC000178501412 552171352 /nfs/dbraw/zinc/17/13/52/552171352.db2.gz WJUIFXWJEHFKEH-YOEHRIQHSA-N 1 0 394.313 2.932 10 0 GFAERO C[C@H](NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ncc(Br)s1 ZINC000179201913 552186811 /nfs/dbraw/zinc/18/68/11/552186811.db2.gz UVZDFZSDLGGUTP-WFASDCNBSA-N 1 0 396.354 2.975 10 0 GFAERO COC(=O)c1cc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1Br ZINC000182591933 552288353 /nfs/dbraw/zinc/28/83/53/552288353.db2.gz SRABNTGXBHCBEA-LBPRGKRZSA-N 1 0 382.258 2.548 10 0 GFAERO CC[C@H](O)C[NH+]1CCN([C@H](C(=O)OC)c2cccc(Cl)c2Cl)CC1 ZINC000183597193 552314195 /nfs/dbraw/zinc/31/41/95/552314195.db2.gz VMDYSGZNSBSSNY-LRDDRELGSA-N 1 0 375.296 2.596 10 0 GFAERO CN(C)C(=O)CCC[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186141842 552379973 /nfs/dbraw/zinc/37/99/73/552379973.db2.gz OONQHTFEWNVYGT-KRWDZBQOSA-N 1 0 377.286 2.787 10 0 GFAERO CCc1nc(CC(=O)N2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)cs1 ZINC000190554782 552500726 /nfs/dbraw/zinc/50/07/26/552500726.db2.gz YIUIGZHNQKIPDW-CQSZACIVSA-N 1 0 378.567 2.993 10 0 GFAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000192932242 552978334 /nfs/dbraw/zinc/97/83/34/552978334.db2.gz RHHWJNWIKBULNJ-QGZVFWFLSA-N 1 0 379.551 2.735 10 0 GFAERO CC(=O)Nc1nc(CN2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)cs1 ZINC000195250517 553042621 /nfs/dbraw/zinc/04/26/21/553042621.db2.gz PPUFMRGWPXAOOQ-AWEZNQCLSA-N 1 0 379.555 2.820 10 0 GFAERO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195338602 553045509 /nfs/dbraw/zinc/04/55/09/553045509.db2.gz IDRZJNUAISVVCV-CYBMUJFWSA-N 1 0 375.270 2.759 10 0 GFAERO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195334528 553045546 /nfs/dbraw/zinc/04/55/46/553045546.db2.gz PWACENRBVKGRTN-MRXNPFEDSA-N 1 0 375.270 2.555 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000246734902 553112070 /nfs/dbraw/zinc/11/20/70/553112070.db2.gz ASLVZINDOYVONH-XFJVYGCCSA-N 1 0 381.929 2.988 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000246790182 553113270 /nfs/dbraw/zinc/11/32/70/553113270.db2.gz BKXCQRMCBQFKLK-PWSUYJOCSA-N 1 0 388.256 2.834 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(I)cc1 ZINC000247046630 553118079 /nfs/dbraw/zinc/11/80/79/553118079.db2.gz VUHGNRFHDBLORA-GJZGRUSLSA-N 1 0 384.261 2.990 10 0 GFAERO C[C@H](NC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1ccc(Br)cc1 ZINC000247559245 553124067 /nfs/dbraw/zinc/12/40/67/553124067.db2.gz ZXFDGCXKKUCXPD-ZQIUZPCESA-N 1 0 380.330 2.795 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(Cc2ncc(-c3cccc(Br)c3)o2)C[C@H]1C ZINC000247699315 553125172 /nfs/dbraw/zinc/12/51/72/553125172.db2.gz XJKNVXAVDRCLDX-KGLIPLIRSA-N 1 0 394.313 2.991 10 0 GFAERO CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(Br)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000248460895 553130053 /nfs/dbraw/zinc/13/00/53/553130053.db2.gz TXWMRIHNHFSJGC-CKEIUWERSA-N 1 0 398.345 2.997 10 0 GFAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000261750843 553158005 /nfs/dbraw/zinc/15/80/05/553158005.db2.gz MPQXVQUFDZDJFJ-TZMCWYRMSA-N 1 0 386.359 2.530 10 0 GFAERO C[C@]([NH3+])(C(=O)N1CCC(c2cc[nH]n2)CC1)c1ccc(Br)cc1 ZINC000261877380 553161662 /nfs/dbraw/zinc/16/16/62/553161662.db2.gz YPSIPJTVGJVILH-QGZVFWFLSA-N 1 0 377.286 2.752 10 0 GFAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000261889333 553162355 /nfs/dbraw/zinc/16/23/55/553162355.db2.gz QHUJWIPENBVTSC-MTICYGMRSA-N 1 0 395.297 2.856 10 0 GFAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000282530356 563414544 /nfs/dbraw/zinc/41/45/44/563414544.db2.gz YZUAWTBGVQQKAB-PRHODGIISA-N 1 0 376.092 2.968 10 0 GFAERO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1c(Cl)cccc1Br ZINC000282902050 563429080 /nfs/dbraw/zinc/42/90/80/563429080.db2.gz FOJIOAJDWYQKNX-JTQLQIEISA-N 1 0 381.723 2.675 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(F)c2I)C1 ZINC000533544121 564965806 /nfs/dbraw/zinc/96/58/06/564965806.db2.gz ZPGLQRGKJYAAQF-JTQLQIEISA-N 1 0 376.213 2.644 10 0 GFAERO COCCC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)COc1ccc(OC)cc1 ZINC000036095221 570534126 /nfs/dbraw/zinc/53/41/26/570534126.db2.gz CWVNHBFJEVHRPT-LJQANCHMSA-N 1 0 389.492 2.982 10 0 GFAERO COCC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)COc1ccc(OC)cc1 ZINC000036095197 570534135 /nfs/dbraw/zinc/53/41/35/570534135.db2.gz CDVNYMDTHQJJFK-GOSISDBHSA-N 1 0 375.465 2.592 10 0 GFAERO C[N@@H+]1CCC[C@H](CN(CCc2ccccc2)C(=O)CCCN2CCCC2=O)C1 ZINC000012057948 570603507 /nfs/dbraw/zinc/60/35/07/570603507.db2.gz HNXPQEIQXURQSH-NRFANRHFSA-N 1 0 385.552 2.802 10 0 GFAERO COC1(c2nc(-c3ccccn3)no2)CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000583615877 570800786 /nfs/dbraw/zinc/80/07/86/570800786.db2.gz IHOWLQNDWLGLSL-SFHVURJKSA-N 1 0 398.438 2.942 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2c(F)cccc2I)C1 ZINC000127367467 654827871 /nfs/dbraw/zinc/82/78/71/654827871.db2.gz XBETZSLKYAGRAA-MFKMUULPSA-N 1 0 390.240 2.889 10 0 GFAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cccc(F)c2I)C1 ZINC000133569693 654967847 /nfs/dbraw/zinc/96/78/47/654967847.db2.gz XRKVWQRAMVBWKC-SECBINFHSA-N 1 0 377.201 2.598 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000134875191 655004812 /nfs/dbraw/zinc/00/48/12/655004812.db2.gz BWCLXVWVFFQRNH-CYBMUJFWSA-N 1 0 375.300 2.893 10 0 GFAERO CC[C@H]1CN([C@@H](C)C(=O)Nc2ccc(Br)cc2)CC[N@@H+]1CCOC ZINC000106116123 655103542 /nfs/dbraw/zinc/10/35/42/655103542.db2.gz YIUDFKOSJFALMH-YOEHRIQHSA-N 1 0 398.345 2.819 10 0 GFAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000112548576 655193180 /nfs/dbraw/zinc/19/31/80/655193180.db2.gz RMDUGLCRCSTVHT-CMPLNLGQSA-N 1 0 379.810 2.606 10 0 GFAERO C[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)Oc1ccccc1Br ZINC000175975038 655230267 /nfs/dbraw/zinc/23/02/67/655230267.db2.gz URJONOPFOLSZCH-ZIAGYGMSSA-N 1 0 382.302 2.706 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000176270229 655243107 /nfs/dbraw/zinc/24/31/07/655243107.db2.gz OEUFVPYWIQOXRG-ZDUSSCGKSA-N 1 0 375.441 2.631 10 0 GFAERO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000176298413 655243597 /nfs/dbraw/zinc/24/35/97/655243597.db2.gz INPUNAQPFZKFRC-HNNXBMFYSA-N 1 0 389.297 2.863 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000176510527 655248493 /nfs/dbraw/zinc/24/84/93/655248493.db2.gz MKUWSSWZUXJWRP-NWDGAFQWSA-N 1 0 390.281 2.599 10 0 GFAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(Br)c(F)c3)C2=O)n(C)n1 ZINC000178400810 655302578 /nfs/dbraw/zinc/30/25/78/655302578.db2.gz RLSYZVLTVIVWFY-HNNXBMFYSA-N 1 0 395.276 2.915 10 0 GFAERO CC[C@@H]1CN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC[N@@H+]1C[C@@H](C)O ZINC000180065466 655321602 /nfs/dbraw/zinc/32/16/02/655321602.db2.gz RQIUUXITPRUMJJ-JLZZUVOBSA-N 1 0 389.323 2.721 10 0 GFAERO O=C(N[C@H]1C[NH+]2CCC1CC2)c1ccc(Cn2cc(Br)cn2)cc1 ZINC000222539687 655422167 /nfs/dbraw/zinc/42/21/67/655422167.db2.gz RHOWBHFCVKBUTK-KRWDZBQOSA-N 1 0 389.297 2.518 10 0 GFAERO CCc1nc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])nn1-c1c(Cl)cccc1Cl ZINC000237027749 655425363 /nfs/dbraw/zinc/42/53/63/655425363.db2.gz QMOVAJHPYRYPEP-ZWNOBZJWSA-N 1 0 382.295 2.994 10 0 GFAERO CCc1nc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])nn1-c1c(Cl)cccc1Cl ZINC000237028656 655425505 /nfs/dbraw/zinc/42/55/05/655425505.db2.gz QMOVAJHPYRYPEP-MFKMUULPSA-N 1 0 382.295 2.994 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000247988528 655432167 /nfs/dbraw/zinc/43/21/67/655432167.db2.gz ISDLKDXKJSYVIA-IUCAKERBSA-N 1 0 384.370 2.629 10 0 GFAERO Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@H]([NH+](C)C)C3)c2c1C ZINC000057838588 721896067 /nfs/dbraw/zinc/89/60/67/721896067.db2.gz CKRFZIDDELYYNX-INIZCTEOSA-N 1 0 389.569 2.671 10 0 GFAERO COc1ccc(C[NH+]2CCC(n3cc(C(=O)N4CCCC4)nn3)CC2)c(C)c1C ZINC000014967446 221321962 /nfs/dbraw/zinc/32/19/62/221321962.db2.gz CGXPLFWVGWSFBG-UHFFFAOYSA-N 1 0 397.523 2.977 10 0 GFAERO CC(C)C[C@H]1C[N@@H+](C2CCN(c3cccc(N4CCNC4=O)c3)CC2)CCO1 ZINC000063835202 136156444 /nfs/dbraw/zinc/15/64/44/136156444.db2.gz IXPSQLJOMHETCH-NRFANRHFSA-N 1 0 386.540 2.932 10 0 GFAERO CC1(C)[C@H](Cc2cc(C[NH+]3CCCCC3)on2)C[C@@H]1NC(=O)N1CCOCC1 ZINC000067890337 222164711 /nfs/dbraw/zinc/16/47/11/222164711.db2.gz RPDPRJXGYHHPIE-APWZRJJASA-N 1 0 390.528 2.660 10 0 GFAERO CC(C)Nc1ncc(C(=O)N2CCC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)cn1 ZINC000072168091 222213901 /nfs/dbraw/zinc/21/39/01/222213901.db2.gz RANVQLNJUJQCOS-HXUWFJFHSA-N 1 0 379.508 2.960 10 0 GFAERO CO[C@H]1[C@H](NC(=O)c2noc3c2CCCC3)c2ccccc2C12CC[NH2+]CC2 ZINC000072454091 222262849 /nfs/dbraw/zinc/26/28/49/222262849.db2.gz BZJJSSCIGMBTIP-QUCCMNQESA-N 1 0 381.476 2.674 10 0 GFAERO COc1cc(CN2CC(c3ccccn3)C2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095521040 222347049 /nfs/dbraw/zinc/34/70/49/222347049.db2.gz OHTHQVAKCADCJQ-HXUWFJFHSA-N 1 0 399.535 2.770 10 0 GFAERO COc1ccc(Cn2c(=O)c3sccc3nc2N2CCC([NH3+])CC2)cc1F ZINC000057344483 524255877 /nfs/dbraw/zinc/25/58/77/524255877.db2.gz FNXVXGWYZDCMAY-UHFFFAOYSA-N 1 0 388.468 2.582 10 0 GFAERO [NH3+]C1CCN(c2nc3ccsc3c(=O)n2CCOc2ccc(F)cc2)CC1 ZINC000057344450 527145133 /nfs/dbraw/zinc/14/51/33/527145133.db2.gz DOUQUQJHMAJZCM-UHFFFAOYSA-N 1 0 388.468 2.604 10 0 GFAERO CCC[NH+]1CCN(Cc2nc(-c3ccc(N4CCC[C@@H](C)C4)nc3)no2)CC1 ZINC000065216072 534930381 /nfs/dbraw/zinc/93/03/81/534930381.db2.gz VTHXAKUMHKRHPH-QGZVFWFLSA-N 1 0 384.528 2.896 10 0 GFAERO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000028878513 551125115 /nfs/dbraw/zinc/12/51/15/551125115.db2.gz JQYIITOZWJAJRF-NTZNESFSSA-N 1 0 393.336 2.678 10 0 GFAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000043362022 551141382 /nfs/dbraw/zinc/14/13/82/551141382.db2.gz IVJJPEZSWOFGFJ-LBPRGKRZSA-N 1 0 377.819 2.910 10 0 GFAERO O[C@H](COc1cccc(Br)c1)CN1CC[NH+](C2CCCC2)CC1 ZINC000045821735 551148287 /nfs/dbraw/zinc/14/82/87/551148287.db2.gz RRSNLRCTMHTRRG-KRWDZBQOSA-N 1 0 383.330 2.749 10 0 GFAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000124116691 551311089 /nfs/dbraw/zinc/31/10/89/551311089.db2.gz KGPDNZQFOCTNFM-SNVBAGLBSA-N 1 0 391.871 2.798 10 0 GFAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1Br ZINC000129593733 551358400 /nfs/dbraw/zinc/35/84/00/551358400.db2.gz WKRQJCSXHCPXIM-CYBMUJFWSA-N 1 0 382.302 2.624 10 0 GFAERO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000152216786 551428463 /nfs/dbraw/zinc/42/84/63/551428463.db2.gz ZIMVDQDYUAVUPU-TZMCWYRMSA-N 1 0 387.293 2.556 10 0 GFAERO C[N@H+](C[C@H](O)c1ccccc1Br)[C@@H]1CCCN(c2cccnn2)C1 ZINC000152930463 551443440 /nfs/dbraw/zinc/44/34/40/551443440.db2.gz UDNCIPLDYYYCDU-PBHICJAKSA-N 1 0 391.313 2.873 10 0 GFAERO CC(C)[N@H+]1C[C@H](NC(=O)CCN2C(=S)N=NC2c2cccs2)[C@@H](C)C1 ZINC000155429062 551499240 /nfs/dbraw/zinc/49/92/40/551499240.db2.gz LSCFKOKEITYEMF-STQMWFEESA-N 1 0 379.555 2.530 10 0 GFAERO COC(=O)Cc1csc(NC(=O)C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000157651111 551541183 /nfs/dbraw/zinc/54/11/83/551541183.db2.gz MMFXCVBUNDLPPK-VIFPVBQESA-N 1 0 385.848 2.940 10 0 GFAERO CCOC(=O)C[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000158175250 551548131 /nfs/dbraw/zinc/54/81/31/551548131.db2.gz OKCGTAYWXJTTLL-UKRRQHHQSA-N 1 0 383.286 2.559 10 0 GFAERO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCN(Cc3ccc(Br)s3)CC2)C1 ZINC000163660208 551621333 /nfs/dbraw/zinc/62/13/33/551621333.db2.gz BHXXUCGSSNAUFC-OLZOCXBDSA-N 1 0 386.359 2.672 10 0 GFAERO CC[C@H]1CN(C(=O)CCc2ccccc2Br)CC[N@@H+]1C[C@@H](C)O ZINC000174615739 552106826 /nfs/dbraw/zinc/10/68/26/552106826.db2.gz BOSBQMLDNBFGCA-ZBFHGGJFSA-N 1 0 383.330 2.685 10 0 GFAERO C[C@@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)c1ccccc1Br ZINC000175537425 552123942 /nfs/dbraw/zinc/12/39/42/552123942.db2.gz DZXOPCABDDPVMS-CQSZACIVSA-N 1 0 397.361 2.835 10 0 GFAERO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179220140 552187557 /nfs/dbraw/zinc/18/75/57/552187557.db2.gz PVHTUFBMPGUKMY-CYBMUJFWSA-N 1 0 396.285 2.938 10 0 GFAERO COc1ccccc1[C@@H]([NH2+]CCCNS(C)(=O)=O)c1ccccc1Cl ZINC000180035325 552210399 /nfs/dbraw/zinc/21/03/99/552210399.db2.gz SIXSWWSCOMETJF-SFHVURJKSA-N 1 0 382.913 2.967 10 0 GFAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000180681054 552232722 /nfs/dbraw/zinc/23/27/22/552232722.db2.gz MHOVCRXTXNOMLX-GFCCVEGCSA-N 1 0 381.723 2.568 10 0 GFAERO CC[C@@H]1CN(C(=O)CCc2ccc(C)cc2Br)CC[N@@H+]1C[C@@H](C)O ZINC000185870337 552372804 /nfs/dbraw/zinc/37/28/04/552372804.db2.gz WDJPIBYXPXBIMH-NVXWUHKLSA-N 1 0 397.357 2.994 10 0 GFAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1cc(Br)c(F)cc1F ZINC000189150592 552464594 /nfs/dbraw/zinc/46/45/94/552464594.db2.gz ZQELSNYBXNIJRA-JTQLQIEISA-N 1 0 392.244 2.696 10 0 GFAERO Cn1cc(Br)cc1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190639324 552504490 /nfs/dbraw/zinc/50/44/90/552504490.db2.gz JGISTVMWULTJFH-HNNXBMFYSA-N 1 0 391.313 2.777 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000192920554 552978044 /nfs/dbraw/zinc/97/80/44/552978044.db2.gz SZLJYOPVDRKNPD-LBPRGKRZSA-N 1 0 396.329 2.723 10 0 GFAERO Cn1nccc1C1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000195502226 553050702 /nfs/dbraw/zinc/05/07/02/553050702.db2.gz VZFTWFIYKRELLR-MRXNPFEDSA-N 1 0 394.313 2.802 10 0 GFAERO COc1cc(Br)c(S(=O)(=O)N2CCCC[C@@H]2C[NH3+])cc1Cl ZINC000237198712 553076012 /nfs/dbraw/zinc/07/60/12/553076012.db2.gz PCFHMOCQHMUVRK-SECBINFHSA-N 1 0 397.722 2.613 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000245498598 553091320 /nfs/dbraw/zinc/09/13/20/553091320.db2.gz WNPGUSJYXTZCKB-NEPJUHHUSA-N 1 0 376.448 2.973 10 0 GFAERO CC[C@@H]1CN(C(=O)[C@H](C)Cc2ccc(Br)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000245689953 553095692 /nfs/dbraw/zinc/09/56/92/553095692.db2.gz ABDAIOCIJLVJJG-IIDMSEBBSA-N 1 0 397.357 2.931 10 0 GFAERO C[C@H](CC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000245927635 553099747 /nfs/dbraw/zinc/09/97/47/553099747.db2.gz JCYFUFGKCCOAJU-ILXRZTDVSA-N 1 0 383.330 2.856 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1cccc(I)c1 ZINC000246029040 553100878 /nfs/dbraw/zinc/10/08/78/553100878.db2.gz PGVYQTDPKNGXJW-WFASDCNBSA-N 1 0 384.261 2.529 10 0 GFAERO Cc1ccc(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c(Br)c1 ZINC000246175949 553104028 /nfs/dbraw/zinc/10/40/28/553104028.db2.gz MWYHPISBJJCBJP-OCCSQVGLSA-N 1 0 375.332 2.765 10 0 GFAERO CC[C@H](C)[C@H](NC(=O)C[NH2+][C@H](C)c1cccc(Br)c1)C(=O)OC ZINC000246211468 553104657 /nfs/dbraw/zinc/10/46/57/553104657.db2.gz YSKOHPAOOQPXAR-OZVIIMIRSA-N 1 0 385.302 2.804 10 0 GFAERO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc(Br)c1 ZINC000247144293 553119412 /nfs/dbraw/zinc/11/94/12/553119412.db2.gz TXBWXEFXUJWCKA-IAGOWNOFSA-N 1 0 394.313 2.858 10 0 GFAERO COc1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc(OC)c1Br ZINC000247555179 553123793 /nfs/dbraw/zinc/12/37/93/553123793.db2.gz ZPOPYJXRMRBWAP-AAEUAGOBSA-N 1 0 383.286 2.775 10 0 GFAERO COc1cc(Br)ccc1CCCN1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248457981 553129871 /nfs/dbraw/zinc/12/98/71/553129871.db2.gz MPLSSFOAJPFHOI-CABCVRRESA-N 1 0 385.346 2.777 10 0 GFAERO CC[C@H]1CN([C@H](C)C(=O)Nc2ccccc2Br)CC[N@@H+]1CCOC ZINC000252352406 553149079 /nfs/dbraw/zinc/14/90/79/553149079.db2.gz BXOSWVOZLROBTO-CABCVRRESA-N 1 0 398.345 2.819 10 0 GFAERO [NH3+][C@H](C(=O)NCC1(c2cccc(Br)c2)CCC1)C1CCOCC1 ZINC000261875512 553161886 /nfs/dbraw/zinc/16/18/86/553161886.db2.gz UBILIBAUFIFDNL-INIZCTEOSA-N 1 0 381.314 2.741 10 0 GFAERO COC[C@H]([NH3+])C(=O)Nc1ncc(Cc2ccc(Br)c(C)c2)s1 ZINC000262250272 553167924 /nfs/dbraw/zinc/16/79/24/553167924.db2.gz IOODSWDLCHAOIG-ZDUSSCGKSA-N 1 0 384.299 2.717 10 0 GFAERO CCC(CC)C(=O)N1CCC2(C[N@H+](C)C[C@H]2c2nc(-c3ccncc3)n[nH]2)CC1 ZINC000097139637 570665166 /nfs/dbraw/zinc/66/51/66/570665166.db2.gz FOCCJBUVIBKMOT-SFHVURJKSA-N 1 0 396.539 2.941 10 0 GFAERO Cc1cc(C)n2ncc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3C)c2n1 ZINC000032761019 570798240 /nfs/dbraw/zinc/79/82/40/570798240.db2.gz AIPGROFVXTXDCQ-UHFFFAOYSA-N 1 0 378.480 2.659 10 0 GFAERO CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000025230513 654547248 /nfs/dbraw/zinc/54/72/48/654547248.db2.gz LHZXCPZVYIBCKQ-LBPRGKRZSA-N 1 0 378.881 2.881 10 0 GFAERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)[C@@H](C)C1 ZINC000124615446 654779402 /nfs/dbraw/zinc/77/94/02/654779402.db2.gz VENPEGIWDQAWGR-NHYWBVRUSA-N 1 0 388.921 2.562 10 0 GFAERO COC(=O)[C@@H]1CCC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000151632115 655053203 /nfs/dbraw/zinc/05/32/03/655053203.db2.gz ANCRKSYEQWDQRG-GFCCVEGCSA-N 1 0 379.254 2.607 10 0 GFAERO C[NH+](C)C[C@@H]1CN(Cn2nc(-c3cccs3)n(C3CC3)c2=S)CCO1 ZINC000153007828 655063714 /nfs/dbraw/zinc/06/37/14/655063714.db2.gz WRBSUHMVMCVBIK-CQSZACIVSA-N 1 0 379.555 2.697 10 0 GFAERO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106176293 655104331 /nfs/dbraw/zinc/10/43/31/655104331.db2.gz MCYZHYJNKYAHFF-KGLIPLIRSA-N 1 0 392.301 2.780 10 0 GFAERO CCOC(=O)C[C@@H](NC(=O)C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000158174279 655105236 /nfs/dbraw/zinc/10/52/36/655105236.db2.gz RFJKTLGAHBFYFF-OAHLLOKOSA-N 1 0 383.286 2.559 10 0 GFAERO C[C@@H](C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)N1CCOCC1 ZINC000111382994 655172154 /nfs/dbraw/zinc/17/21/54/655172154.db2.gz KTVHUJDBXRJPSE-ZDUSSCGKSA-N 1 0 379.302 2.650 10 0 GFAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc(F)cc2Br)CC1 ZINC000176890846 655259262 /nfs/dbraw/zinc/25/92/62/655259262.db2.gz MKYHJMGRRQYXKH-LBPRGKRZSA-N 1 0 387.293 2.753 10 0 GFAERO O[C@@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000177968670 655293334 /nfs/dbraw/zinc/29/33/34/655293334.db2.gz NOCDQQGXRGSHDX-QAPCUYQASA-N 1 0 393.281 2.737 10 0 GFAERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000180044719 655321369 /nfs/dbraw/zinc/32/13/69/655321369.db2.gz VCYIGRGMBXHKLS-RYUDHWBXSA-N 1 0 375.878 2.564 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000120955615 655346885 /nfs/dbraw/zinc/34/68/85/655346885.db2.gz ISDLKDXKJSYVIA-RKDXNWHRSA-N 1 0 384.370 2.629 10 0 GFAERO C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000193457876 655410357 /nfs/dbraw/zinc/41/03/57/655410357.db2.gz XJVDXYOWECMXRQ-WRWORJQWSA-N 1 0 385.686 2.660 10 0 GFAERO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000237119069 655425640 /nfs/dbraw/zinc/42/56/40/655425640.db2.gz YCAJYXKNKOQOLR-INMHGKMJSA-N 1 0 383.330 2.888 10 0 GFAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCCSCCOc2cccc(Br)c2)C1 ZINC000237989953 655426857 /nfs/dbraw/zinc/42/68/57/655426857.db2.gz BPMCRXTWFDUESS-TZMCWYRMSA-N 1 0 387.343 2.805 10 0 GFAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000246747403 655430535 /nfs/dbraw/zinc/43/05/35/655430535.db2.gz ZNDXXOGITLURBF-FIKRCHLTSA-N 1 0 387.343 2.581 10 0 GFAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000248857275 655433447 /nfs/dbraw/zinc/43/34/47/655433447.db2.gz LGBBKZSXEUZWEQ-IUIKQTSFSA-N 1 0 384.307 2.855 10 0 GFAERO Cc1nn(C)c2ncc(C[NH2+]C[C@H]3CCc4nc(C(F)(F)F)cn4C3)cc12 ZINC000328651787 212089641 /nfs/dbraw/zinc/08/96/41/212089641.db2.gz WAWXRBMQZLWATJ-GFCCVEGCSA-N 1 0 378.402 2.844 10 0 GFAERO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000011667837 212078049 /nfs/dbraw/zinc/07/80/49/212078049.db2.gz YCIFTOFJUGHTFU-LJQANCHMSA-N 1 0 381.476 2.866 10 0 GFAERO [NH3+][C@H]1CCN2C(=O)c3cc(-c4cccc(C(F)(F)F)c4)ccc3NC(=O)[C@H]12 ZINC000008296706 221035946 /nfs/dbraw/zinc/03/59/46/221035946.db2.gz CRNAKYOWLBNZDV-HOCLYGCPSA-N 1 0 375.350 2.866 10 0 GFAERO CSCCCN1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000011843808 221132009 /nfs/dbraw/zinc/13/20/09/221132009.db2.gz KNGUHZSVEWZFAA-GOSISDBHSA-N 1 0 390.597 2.627 10 0 GFAERO COc1cc2c(cc1OC)CN(c1ncnc3sc4c(c31)CC[NH2+]C4)CC2 ZINC000082146903 136174057 /nfs/dbraw/zinc/17/40/57/136174057.db2.gz XXIUKQUWVMSYHJ-UHFFFAOYSA-N 1 0 382.489 2.917 10 0 GFAERO COCC[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)COc1ccc(OC)cc1 ZINC000036095196 221842775 /nfs/dbraw/zinc/84/27/75/221842775.db2.gz CDVNYMDTHQJJFK-SFHVURJKSA-N 1 0 375.465 2.592 10 0 GFAERO Cc1c(C[NH2+][C@H](CO)Cc2ccc(Cl)cc2)c2ccccc2n1CC(N)=O ZINC000055307847 222019914 /nfs/dbraw/zinc/01/99/14/222019914.db2.gz WIRPSYGBQJMEOF-KRWDZBQOSA-N 1 0 385.895 2.782 10 0 GFAERO NC(=O)c1cc2c(s1)CCN(C(=O)c1ccc(C[C@@H]3CCC[NH2+]C3)cc1)C2 ZINC000072165818 222215102 /nfs/dbraw/zinc/21/51/02/222215102.db2.gz WWERFYMZSCHMJO-HNNXBMFYSA-N 1 0 383.517 2.588 10 0 GFAERO CC(C)(C)OC(=O)N1CC[NH2+][C@H]2CCN(C(=O)OCc3ccccc3)CC[C@H]21 ZINC000309946300 526410553 /nfs/dbraw/zinc/41/05/53/526410553.db2.gz KNPRWOAPSCCIED-ZWKOTPCHSA-N 1 0 389.496 2.997 10 0 GFAERO Cn1cc(C[N@@H+]2CCCN(Cc3cc(O)ccc3Br)CC2)cn1 ZINC000121588384 551237613 /nfs/dbraw/zinc/23/76/13/551237613.db2.gz KVVQCXMLZUBZOH-UHFFFAOYSA-N 1 0 379.302 2.596 10 0 GFAERO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)ccc1Cl ZINC000150702238 551399962 /nfs/dbraw/zinc/39/99/62/551399962.db2.gz MLWBEECAZLBUQR-OLZOCXBDSA-N 1 0 387.933 2.827 10 0 GFAERO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000150712141 551400470 /nfs/dbraw/zinc/40/04/70/551400470.db2.gz LHIWKNJCYNTYTB-VHSXEESVSA-N 1 0 377.794 2.883 10 0 GFAERO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152234193 551429029 /nfs/dbraw/zinc/42/90/29/551429029.db2.gz QIABCNGAHFPGJU-MAUKXSAKSA-N 1 0 393.281 2.737 10 0 GFAERO C[NH+](C)C[C@@H]1CN(Cc2ccnc(-c3ccc(Br)cc3)n2)CCO1 ZINC000154118985 551468020 /nfs/dbraw/zinc/46/80/20/551468020.db2.gz VHMCVYVCTUHWHK-QGZVFWFLSA-N 1 0 391.313 2.669 10 0 GFAERO CCC[C@@H](C(=O)NCCC(=O)N(C)Cc1ccccc1Br)[NH+](C)C ZINC000154932172 551486323 /nfs/dbraw/zinc/48/63/23/551486323.db2.gz KCVJHLAMMBABNA-INIZCTEOSA-N 1 0 398.345 2.644 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cccc(C)c1Br ZINC000156491080 551523676 /nfs/dbraw/zinc/52/36/76/551523676.db2.gz TUFNMOJRUJDKQH-ZDUSSCGKSA-N 1 0 375.332 2.862 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000176362609 552139293 /nfs/dbraw/zinc/13/92/93/552139293.db2.gz OPAXGHOWFIJYNA-ZDUSSCGKSA-N 1 0 388.921 2.660 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2cc(F)c(Br)c(F)c2)CCO1 ZINC000182507411 552286149 /nfs/dbraw/zinc/28/61/49/552286149.db2.gz MVZAVPQIFHXGAK-SNVBAGLBSA-N 1 0 378.217 2.522 10 0 GFAERO C[C@@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000182514972 552286663 /nfs/dbraw/zinc/28/66/63/552286663.db2.gz RCOPBKQZXBZOJT-OLZOCXBDSA-N 1 0 380.432 2.907 10 0 GFAERO C[C@@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1cccc(Br)c1 ZINC000182572340 552287692 /nfs/dbraw/zinc/28/76/92/552287692.db2.gz XJWNQJTYGVKBPI-GFCCVEGCSA-N 1 0 399.310 2.826 10 0 GFAERO C[C@@H]([NH2+]CC(=O)N[C@@H](C)C(=O)N1CCCCC1)c1cccc(Br)c1 ZINC000182579927 552288558 /nfs/dbraw/zinc/28/85/58/552288558.db2.gz GWUBRROKWOEPTB-KGLIPLIRSA-N 1 0 396.329 2.617 10 0 GFAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)s1 ZINC000182976172 552297535 /nfs/dbraw/zinc/29/75/35/552297535.db2.gz DBAGBYWZKOXNQS-ZJUUUORDSA-N 1 0 387.914 2.727 10 0 GFAERO CCCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 ZINC000183003586 552298538 /nfs/dbraw/zinc/29/85/38/552298538.db2.gz KWKBXDNSEQSPOG-AVGNSLFASA-N 1 0 392.974 2.866 10 0 GFAERO C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)[C@H]1CCCO1 ZINC000183091621 552300414 /nfs/dbraw/zinc/30/04/14/552300414.db2.gz VTAMAAHCGFTOGO-VHRBIJSZSA-N 1 0 378.694 2.999 10 0 GFAERO CC[C@@H](O)C[NH+]1CCN([C@@H](C(=O)OC)c2cccc(Cl)c2Cl)CC1 ZINC000183597244 552313890 /nfs/dbraw/zinc/31/38/90/552313890.db2.gz VMDYSGZNSBSSNY-MLGOLLRUSA-N 1 0 375.296 2.596 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC(C)(C)COc2ncccc2Br)C1 ZINC000185592246 552366579 /nfs/dbraw/zinc/36/65/79/552366579.db2.gz QHUSZPIPDLBUFW-CYBMUJFWSA-N 1 0 399.333 2.785 10 0 GFAERO CCO[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)C12CCOCC2 ZINC000186289181 552384043 /nfs/dbraw/zinc/38/40/43/552384043.db2.gz GXMVMVSLOIILRR-SJORKVTESA-N 1 0 387.929 2.678 10 0 GFAERO Cc1cc(Br)cc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000188072075 552433709 /nfs/dbraw/zinc/43/37/09/552433709.db2.gz LPLIYBNLWQLDIO-HNNXBMFYSA-N 1 0 384.318 2.789 10 0 GFAERO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000188621982 552450448 /nfs/dbraw/zinc/45/04/48/552450448.db2.gz QHAKKOFUEZBCEM-IJEWVQPXSA-N 1 0 379.444 2.922 10 0 GFAERO COC(=O)c1sc(N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)nc1Cl ZINC000190450384 552497223 /nfs/dbraw/zinc/49/72/23/552497223.db2.gz FFFJXUWIMXFLKU-CYBMUJFWSA-N 1 0 380.901 2.936 10 0 GFAERO Cc1[nH]c(=S)sc1CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190663638 552505228 /nfs/dbraw/zinc/50/52/28/552505228.db2.gz ZMNLQMDCKPWAND-OAHLLOKOSA-N 1 0 376.551 2.658 10 0 GFAERO CCC[C@H]([NH3+])C(=O)NCCSCCOc1cccc(Br)c1 ZINC000236859300 553072304 /nfs/dbraw/zinc/07/23/04/553072304.db2.gz YJNPQZCKDUIXJX-AWEZNQCLSA-N 1 0 375.332 2.805 10 0 GFAERO COc1ccc(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1Br ZINC000246974112 553116750 /nfs/dbraw/zinc/11/67/50/553116750.db2.gz DSHMYRKOBDLELO-OCCSQVGLSA-N 1 0 382.302 2.836 10 0 GFAERO CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CC[N@@H+]1C[C@H](C)O ZINC000247048545 553117996 /nfs/dbraw/zinc/11/79/96/553117996.db2.gz YLIWHCVXVRFBKJ-OKDNKWQNSA-N 1 0 395.341 2.856 10 0 GFAERO Cc1cnc(CNC(=O)NC[C@H](c2cccs2)N2CCO[C@@H](C)C2)s1 ZINC000248368376 553128774 /nfs/dbraw/zinc/12/87/74/553128774.db2.gz VDEDOSHILXWRPW-GXTWGEPZSA-N 1 0 380.539 2.774 10 0 GFAERO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000249195422 553141037 /nfs/dbraw/zinc/14/10/37/553141037.db2.gz QHAKKOFUEZBCEM-FMKPAKJESA-N 1 0 379.444 2.922 10 0 GFAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3ncc(Br)cc3Br)C[C@@H]12 ZINC000261584409 553153694 /nfs/dbraw/zinc/15/36/94/553153694.db2.gz SEKRSYHQDNSJCT-MKPLZMMCSA-N 1 0 375.108 2.776 10 0 GFAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)Cc1cccc(I)c1 ZINC000261705004 553156525 /nfs/dbraw/zinc/15/65/25/553156525.db2.gz UKEQCJUJRNPBKY-IHXNAJNRSA-N 1 0 398.288 2.856 10 0 GFAERO Cc1ncsc1CN(Cc1c(Br)cnn1C)C[C@@H]1CC[NH2+]C1 ZINC000261917256 553162694 /nfs/dbraw/zinc/16/26/94/553162694.db2.gz JZDVSPLJMBUKMG-GFCCVEGCSA-N 1 0 384.347 2.559 10 0 GFAERO Cc1c(I)cccc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000123054431 654751463 /nfs/dbraw/zinc/75/14/63/654751463.db2.gz OARXXXDQQVQSFF-WCQYABFASA-N 1 0 384.261 2.908 10 0 GFAERO CSCC[C@@H]1NC(=S)N(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1=O ZINC000067507289 654939795 /nfs/dbraw/zinc/93/97/95/654939795.db2.gz DSOGRERWANVBJD-SJORKVTESA-N 1 0 377.579 2.880 10 0 GFAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc(I)cc1 ZINC000096658519 655032016 /nfs/dbraw/zinc/03/20/16/655032016.db2.gz POGPQPYSNACPLU-SWLSCSKDSA-N 1 0 384.261 2.990 10 0 GFAERO C[NH+](C)C[C@@H]1CN(Cn2cc(Br)c(-c3ccc(F)cc3)n2)CCO1 ZINC000153003721 655063910 /nfs/dbraw/zinc/06/39/10/655063910.db2.gz ORZJICJEBMBXKW-OAHLLOKOSA-N 1 0 397.292 2.672 10 0 GFAERO CCOCC[N@@H+]1CCN(C[C@H](O)c2cccc(Br)c2)C[C@H]1CC ZINC000106118851 655103821 /nfs/dbraw/zinc/10/38/21/655103821.db2.gz KTGVFBCRJIYUEQ-MSOLQXFVSA-N 1 0 385.346 2.915 10 0 GFAERO CC[C@@H]1CN(C(=O)Cc2csc(-c3cccs3)n2)CC[N@@H+]1C[C@@H](C)O ZINC000174605933 655205234 /nfs/dbraw/zinc/20/52/34/655205234.db2.gz GHYWWYWLMXNNHG-UKRRQHHQSA-N 1 0 379.551 2.718 10 0 GFAERO Cc1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1I ZINC000113231132 655205611 /nfs/dbraw/zinc/20/56/11/655205611.db2.gz OMCORBPTMKZGET-GXTWGEPZSA-N 1 0 384.261 2.908 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000113228714 655205626 /nfs/dbraw/zinc/20/56/26/655205626.db2.gz QCGXBZVWWZBACU-SUMWQHHRSA-N 1 0 389.297 2.944 10 0 GFAERO CC(C)Oc1cc(Br)ccc1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116786851 655253518 /nfs/dbraw/zinc/25/35/18/655253518.db2.gz JAYOVYQVMKMXEM-AWEZNQCLSA-N 1 0 385.302 2.639 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)NCC(C)(C)c2ccc(Br)cc2)CCO1 ZINC000117034995 655258609 /nfs/dbraw/zinc/25/86/09/655258609.db2.gz JCAVLHNAPRFQEX-MRXNPFEDSA-N 1 0 398.345 2.699 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000176900435 655260083 /nfs/dbraw/zinc/26/00/83/655260083.db2.gz UYYNNRBCFMWYRY-LBPRGKRZSA-N 1 0 378.523 2.753 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000182538386 655345160 /nfs/dbraw/zinc/34/51/60/655345160.db2.gz UEWQNAHEFXAFFZ-QWHCGFSZSA-N 1 0 387.889 2.804 10 0 GFAERO Cc1csc([C@@H]2CCCN([C@@H](C)C(=O)Nc3sccc3C(N)=O)C2)n1 ZINC000195328909 655420118 /nfs/dbraw/zinc/42/01/18/655420118.db2.gz JAGWQFKFLDLRSC-NWDGAFQWSA-N 1 0 378.523 2.819 10 0 GFAERO CC[C@H]1CN(C(=O)CSc2nc3ccccc3s2)CCN1C[C@H](C)O ZINC000246815104 655430668 /nfs/dbraw/zinc/43/06/68/655430668.db2.gz KVZJUCFRZCXOHJ-KBPBESRZSA-N 1 0 379.551 2.692 10 0 GFAERO C[C@@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000261587231 655441236 /nfs/dbraw/zinc/44/12/36/655441236.db2.gz JJKJZBUBCDRFNQ-LDWIPMOCSA-N 1 0 388.114 2.866 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C[NH2+]Cc2csc(Br)c2)C1 ZINC000702765918 655521783 /nfs/dbraw/zinc/52/17/83/655521783.db2.gz STECWJDFJADCKJ-RYUDHWBXSA-N 1 0 391.331 2.828 10 0 GFAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]CCCn2cc(Br)cn2)C1 ZINC000711459619 655522441 /nfs/dbraw/zinc/52/24/41/655522441.db2.gz ROIBFLMSHNPNPN-UHFFFAOYSA-N 1 0 387.322 2.929 10 0 GFAERO COc1ccc2c(c1OC)C(=O)N/C2=C/c1cc2c(cc1CC[NH+](C)C)OCO2 ZINC000005689102 212148617 /nfs/dbraw/zinc/14/86/17/212148617.db2.gz ZMAHFZSTFDAVRW-CXUHLZMHSA-N 1 0 396.443 2.778 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(I)ccc1OC ZINC000006385022 212148277 /nfs/dbraw/zinc/14/82/77/212148277.db2.gz JHMTYLJMPBFCTD-LBPRGKRZSA-N 1 0 388.249 2.514 10 0 in-vivo GFAERO CCOc1ccc([C@@H]2[C@H](C(=O)N3CC[NH2+]CC3)CC(=O)N2c2ccccc2)cc1 ZINC000005576323 212147715 /nfs/dbraw/zinc/14/77/15/212147715.db2.gz JXXZVQPCPRADNI-IFMALSPDSA-N 1 0 393.487 2.611 10 0 GFAERO CNC(=O)c1ccc([C@H]2CCCC[N@@H+]2C[C@H](O)COCc2cccs2)n1C ZINC000328629623 212087563 /nfs/dbraw/zinc/08/75/63/212087563.db2.gz IKPWLQGGXKCJTO-MAUKXSAKSA-N 1 0 391.537 2.551 10 0 GFAERO COc1ccc(-c2cn3c(C(=O)N4CC[C@@H]([NH+](C)C)C4)csc3n2)cc1F ZINC000011819273 212077117 /nfs/dbraw/zinc/07/71/17/212077117.db2.gz HBKCAMNRPQVGCQ-CYBMUJFWSA-N 1 0 388.468 2.987 10 0 GFAERO c1nc(N2CCOCC2)sc1C[NH2+][C@H]1CCCc2c1cnn2-c1ccccn1 ZINC000011937551 221138618 /nfs/dbraw/zinc/13/86/18/221138618.db2.gz WDDWSMXJRFNRJZ-KRWDZBQOSA-N 1 0 396.520 2.728 10 0 GFAERO CSCCC[NH2+][C@@H]1CCc2c(c(C(=O)N(C)C)nn2Cc2ccccc2)C1 ZINC000014752111 221316454 /nfs/dbraw/zinc/31/64/54/221316454.db2.gz ZSXWAPIISLNEPE-QGZVFWFLSA-N 1 0 386.565 2.833 10 0 GFAERO O=C(c1cn(C2CC[NH+](C3Cc4ccccc4C3)CC2)nn1)N1CCCCC1 ZINC000014982261 221325133 /nfs/dbraw/zinc/32/51/33/221325133.db2.gz AMIBLXNAIORPBG-UHFFFAOYSA-N 1 0 379.508 2.709 10 0 GFAERO COc1ccc(C[N@@H+]2CCC[C@H](n3cc(C(=O)N4CCCC4)nn3)C2)c(C)c1C ZINC000014984733 221325421 /nfs/dbraw/zinc/32/54/21/221325421.db2.gz SEVCFGRXGCHITB-IBGZPJMESA-N 1 0 397.523 2.977 10 0 GFAERO Cc1c(-c2cc(C(=O)N3CCC[N@H+](CC4CC4)[C@@H](C(C)C)C3)[nH]n2)cnn1C ZINC000071759705 222193246 /nfs/dbraw/zinc/19/32/46/222193246.db2.gz YETFJDGIIAPYMD-HXUWFJFHSA-N 1 0 384.528 2.701 10 0 GFAERO [NH3+][C@H]1CCCN(c2nc3ccsc3c(=O)n2Cc2c(F)cccc2F)C1 ZINC000057344547 527402450 /nfs/dbraw/zinc/40/24/50/527402450.db2.gz SPDUULXOMLGELP-NSHDSACASA-N 1 0 376.432 2.712 10 0 GFAERO C[C@H](NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000049172778 551157970 /nfs/dbraw/zinc/15/79/70/551157970.db2.gz BQNDPMIBVPQZEU-XJKSGUPXSA-N 1 0 384.318 2.656 10 0 GFAERO C[C@@H](NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1Br ZINC000049172816 551158181 /nfs/dbraw/zinc/15/81/81/551158181.db2.gz XAAYGRXBBZKZOA-ZIAGYGMSSA-N 1 0 384.318 2.656 10 0 GFAERO O=C(Nc1ccc(I)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000104972253 551199171 /nfs/dbraw/zinc/19/91/71/551199171.db2.gz XBCKYIKXZCPIRR-CQSZACIVSA-N 1 0 385.249 2.993 10 0 GFAERO CC[C@H]1CN(CCC(=O)Nc2cccc(Br)c2)CC[N@@H+]1C[C@@H](C)O ZINC000124592348 551315834 /nfs/dbraw/zinc/31/58/34/551315834.db2.gz STUBLMLULOTAFD-PBHICJAKSA-N 1 0 398.345 2.555 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCN2C(=S)N=NC2c2cccs2)C1 ZINC000155428948 551499334 /nfs/dbraw/zinc/49/93/34/551499334.db2.gz LSCFKOKEITYEMF-OLZOCXBDSA-N 1 0 379.555 2.530 10 0 GFAERO Cc1cccc(S(=O)(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1Br ZINC000156445146 551522806 /nfs/dbraw/zinc/52/28/06/551522806.db2.gz RZZZCJUTXQPDEI-QWHCGFSZSA-N 1 0 375.332 2.765 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000159078423 551561047 /nfs/dbraw/zinc/56/10/47/551561047.db2.gz NXNKOFPEKDFGLF-DOMZBBRYSA-N 1 0 397.313 2.608 10 0 GFAERO O[C@H](COc1ccc(Cl)cc1Br)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171649198 551660381 /nfs/dbraw/zinc/66/03/81/551660381.db2.gz JUZKEGWCRFYLCU-KGLIPLIRSA-N 1 0 389.721 2.622 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000172001751 551668653 /nfs/dbraw/zinc/66/86/53/551668653.db2.gz WUWQZCFTUBRPFI-GFCCVEGCSA-N 1 0 378.270 2.505 10 0 GFAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cccc(Br)c3)C2=O)n(C)n1 ZINC000173853610 552094113 /nfs/dbraw/zinc/09/41/13/552094113.db2.gz GEWNJVOYHHIHQY-OAHLLOKOSA-N 1 0 377.286 2.776 10 0 GFAERO Cc1ccc(S(=O)(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c(Br)c1 ZINC000173884402 552095298 /nfs/dbraw/zinc/09/52/98/552095298.db2.gz MWYHPISBJJCBJP-GXTWGEPZSA-N 1 0 375.332 2.765 10 0 GFAERO C[C@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000174659707 552108211 /nfs/dbraw/zinc/10/82/11/552108211.db2.gz COSKFBUMWNQAEQ-LBPRGKRZSA-N 1 0 381.885 2.667 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000175398693 552120883 /nfs/dbraw/zinc/12/08/83/552120883.db2.gz XKZQSYCMAKEPAH-GFCCVEGCSA-N 1 0 391.896 2.542 10 0 GFAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000180124876 552214375 /nfs/dbraw/zinc/21/43/75/552214375.db2.gz ZWUJNZNJLHAAMO-LBPRGKRZSA-N 1 0 377.819 2.910 10 0 GFAERO CC(C)(C)OC[C@@H](O)C[NH2+]C(C)(C)COc1ncccc1Br ZINC000181517971 552259495 /nfs/dbraw/zinc/25/94/95/552259495.db2.gz MONBJVIGDXDDTR-LBPRGKRZSA-N 1 0 375.307 2.767 10 0 GFAERO COc1cc(Br)ccc1CCCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000182632785 552289429 /nfs/dbraw/zinc/28/94/29/552289429.db2.gz QHFZMDYEBAHKND-INIZCTEOSA-N 1 0 396.329 2.880 10 0 GFAERO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000182990250 552298042 /nfs/dbraw/zinc/29/80/42/552298042.db2.gz HWLQSDKPSIFHAN-SNVBAGLBSA-N 1 0 387.914 2.647 10 0 GFAERO O=C(Nc1ccc(Cl)cc1OC(F)F)N1CC[C@@H](N2CCOCC2)C1 ZINC000184399387 552334684 /nfs/dbraw/zinc/33/46/84/552334684.db2.gz QEJXAMGNQCSDDW-GFCCVEGCSA-N 1 0 375.803 2.880 10 0 GFAERO Cc1cc(Br)c(F)cc1NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000184850445 552345841 /nfs/dbraw/zinc/34/58/41/552345841.db2.gz MTQZSIIRKITNGN-GFCCVEGCSA-N 1 0 388.281 2.865 10 0 GFAERO O=C1OCCN1CCC[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186168803 552380578 /nfs/dbraw/zinc/38/05/78/552380578.db2.gz VEUINNSERYGVPC-MRXNPFEDSA-N 1 0 391.269 2.760 10 0 GFAERO O=C1OCCN1CCC[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186168783 552380644 /nfs/dbraw/zinc/38/06/44/552380644.db2.gz VEUINNSERYGVPC-INIZCTEOSA-N 1 0 391.269 2.760 10 0 GFAERO OCC1(C[NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)CCOCC1 ZINC000186294096 552384278 /nfs/dbraw/zinc/38/42/78/552384278.db2.gz RSJXIEUCJUPXMW-QGZVFWFLSA-N 1 0 392.297 2.707 10 0 GFAERO CC(C)(C)c1nnc(NC(=O)CN2C[C@@H](c3ccsc3)[C@H](CO)C2)s1 ZINC000188092408 552434580 /nfs/dbraw/zinc/43/45/80/552434580.db2.gz QIQDVOVUVNBPHB-STQMWFEESA-N 1 0 380.539 2.544 10 0 GFAERO CCN1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000188706776 552452721 /nfs/dbraw/zinc/45/27/21/552452721.db2.gz SQBORIWBMLIKFH-QGZVFWFLSA-N 1 0 382.346 2.860 10 0 GFAERO O=C1CCCN1C[C@@H](O)C[NH+]1CCC(c2ccccc2Br)CC1 ZINC000189805429 552480229 /nfs/dbraw/zinc/48/02/29/552480229.db2.gz HGGHVVYADYQMFA-HNNXBMFYSA-N 1 0 381.314 2.612 10 0 GFAERO O=C(Cc1ccc(I)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000190883674 552512244 /nfs/dbraw/zinc/51/22/44/552512244.db2.gz AHTFNDHZPLGHLC-OAHLLOKOSA-N 1 0 384.261 2.530 10 0 GFAERO COCC[N@@H+](Cc1cccnc1)C[C@H](O)COc1cccc(Br)c1 ZINC000191127622 552519691 /nfs/dbraw/zinc/51/96/91/552519691.db2.gz YHHFEAUOHOUONN-KRWDZBQOSA-N 1 0 395.297 2.732 10 0 GFAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2)C1 ZINC000192935609 552978363 /nfs/dbraw/zinc/97/83/63/552978363.db2.gz OBOTXEUHPGQZOK-INIZCTEOSA-N 1 0 379.913 2.878 10 0 GFAERO [NH3+]C[C@H]1CCCN1S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000193297917 552989622 /nfs/dbraw/zinc/98/96/22/552989622.db2.gz NXEWCBLVYFEJCS-SSDOTTSWSA-N 1 0 388.114 2.868 10 0 GFAERO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000237104474 553074720 /nfs/dbraw/zinc/07/47/20/553074720.db2.gz NYRQQILETHHLPT-DOTOQJQBSA-N 1 0 383.330 2.984 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H](C)c2ccc(Br)cc2)C[C@@H]1C ZINC000245927648 553099668 /nfs/dbraw/zinc/09/96/68/553099668.db2.gz JCYFUFGKCCOAJU-KKUMJFAQSA-N 1 0 383.330 2.856 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccccc2I)C1 ZINC000245990451 553100340 /nfs/dbraw/zinc/10/03/40/553100340.db2.gz LMGIQQOTTFTYBA-IUODEOHRSA-N 1 0 386.277 2.679 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccccc1I ZINC000246168659 553103704 /nfs/dbraw/zinc/10/37/04/553103704.db2.gz DPFSOIQYZYEAES-OCCSQVGLSA-N 1 0 384.261 2.529 10 0 GFAERO CCC[N@H+](C)C[C@H]1CCN(C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000246273781 553105064 /nfs/dbraw/zinc/10/50/64/553105064.db2.gz WEOODWIEFXFROH-NVXWUHKLSA-N 1 0 385.346 2.853 10 0 GFAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000246536268 553109545 /nfs/dbraw/zinc/10/95/45/553109545.db2.gz VENPEGIWDQAWGR-XHDPSFHLSA-N 1 0 388.921 2.562 10 0 GFAERO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247657002 553124634 /nfs/dbraw/zinc/12/46/34/553124634.db2.gz YSMRJLDSMADDMI-WBVHZDCISA-N 1 0 393.329 2.517 10 0 GFAERO COc1cc(Br)ccc1CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000249288003 553141682 /nfs/dbraw/zinc/14/16/82/553141682.db2.gz UEHVXJPAQUJWRE-SWLSCSKDSA-N 1 0 384.318 2.986 10 0 GFAERO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2Cl)C[C@H]1[NH+](C)C ZINC000251633862 553148464 /nfs/dbraw/zinc/14/84/64/553148464.db2.gz FODZIXQICZEXTO-BXKDBHETSA-N 1 0 381.723 2.673 10 0 GFAERO C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2Cl)C[C@H]1[NH+](C)C ZINC000251633866 553148684 /nfs/dbraw/zinc/14/86/84/553148684.db2.gz FODZIXQICZEXTO-JOYOIKCWSA-N 1 0 381.723 2.673 10 0 GFAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ncc(Br)cc3Br)C[C@H]12 ZINC000261584411 553153656 /nfs/dbraw/zinc/15/36/56/553153656.db2.gz SEKRSYHQDNSJCT-UBHAPETDSA-N 1 0 375.108 2.776 10 0 GFAERO C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)Oc1ccccc1Br ZINC000261934872 553162665 /nfs/dbraw/zinc/16/26/65/553162665.db2.gz MDLSGBGDBCKHBS-SRABZTEZSA-N 1 0 383.330 2.963 10 0 GFAERO CC[N@H+](C)[C@H]1CCN(c2ncnc3ccc(I)cc32)C1 ZINC000302614341 563426957 /nfs/dbraw/zinc/42/69/57/563426957.db2.gz BIQQCEFOLGURIX-LBPRGKRZSA-N 1 0 382.249 2.765 10 0 GFAERO COc1ccc(C[N@H+](C[C@@H](O)COCc2ccco2)C[C@H]2CCCO2)cc1 ZINC000247879957 570333287 /nfs/dbraw/zinc/33/32/87/570333287.db2.gz ISCYMZXRVKVDRZ-UYAOXDASSA-N 1 0 375.465 2.847 10 0 GFAERO C[N@H+](CCNC(=O)c1cc(=O)n2c3ccccc3nc2s1)C1CCCCC1 ZINC000033008882 570620406 /nfs/dbraw/zinc/62/04/06/570620406.db2.gz RFZBCYVKURIXOC-UHFFFAOYSA-N 1 0 384.505 2.904 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c(F)cccc1I ZINC000123050054 654751413 /nfs/dbraw/zinc/75/14/13/654751413.db2.gz OCJZUOLCHXUYTB-WDEREUQCSA-N 1 0 388.224 2.739 10 0 GFAERO CC[C@@H](O)C[NH+]1CCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000123565462 654759723 /nfs/dbraw/zinc/75/97/23/654759723.db2.gz YTMMNVNHQFZUKX-MRXNPFEDSA-N 1 0 393.329 2.728 10 0 GFAERO CN1CCO[C@H](C[NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000124558214 654778446 /nfs/dbraw/zinc/77/84/46/654778446.db2.gz WXVVVEPMORWKEM-LLVKDONJSA-N 1 0 378.108 2.632 10 0 GFAERO COC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000067227560 654933858 /nfs/dbraw/zinc/93/38/58/654933858.db2.gz WLYJUOVYSUMJST-LLVKDONJSA-N 1 0 387.249 2.802 10 0 GFAERO C[NH+](C)C[C@H](NC(=O)c1cnn2cc(Br)cnc12)c1ccccc1 ZINC000093907731 655022310 /nfs/dbraw/zinc/02/23/10/655022310.db2.gz NIYAUKLBUCBKTB-HNNXBMFYSA-N 1 0 388.269 2.525 10 0 GFAERO CC[C@H]1CN(CCC(=O)Nc2ccccc2Br)CC[N@@H+]1C[C@@H](C)O ZINC000106102120 655102722 /nfs/dbraw/zinc/10/27/22/655102722.db2.gz PMQYTISEZOHKOE-CABCVRRESA-N 1 0 398.345 2.555 10 0 GFAERO CCOCC[N@@H+]1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000106110548 655102985 /nfs/dbraw/zinc/10/29/85/655102985.db2.gz MNSVEHXPACIASW-HOCLYGCPSA-N 1 0 391.339 2.776 10 0 GFAERO CC[C@@H]1CN(CCC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1CCOC ZINC000106113807 655103365 /nfs/dbraw/zinc/10/33/65/655103365.db2.gz UUOAFXYKZWYOPI-QGZVFWFLSA-N 1 0 398.345 2.820 10 0 GFAERO CC[C@H]1CN(Cc2nnc(-c3ccc(Br)o3)o2)CC[N@@H+]1CCOC ZINC000106115473 655103557 /nfs/dbraw/zinc/10/35/57/655103557.db2.gz OVSVRUUBOBANCT-LBPRGKRZSA-N 1 0 399.289 2.635 10 0 GFAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000111815354 655177709 /nfs/dbraw/zinc/17/77/09/655177709.db2.gz DZXRSLIQPOLEGO-BBRMVZONSA-N 1 0 384.318 2.920 10 0 GFAERO Cc1nc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)sc1C ZINC000112519055 655192846 /nfs/dbraw/zinc/19/28/46/655192846.db2.gz WBWPORLBJOHOHV-NWDGAFQWSA-N 1 0 381.523 2.841 10 0 GFAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(Br)c1)CC2 ZINC000112550642 655193228 /nfs/dbraw/zinc/19/32/28/655193228.db2.gz NRQRZDODOPPYQG-RISCZKNCSA-N 1 0 392.301 2.535 10 0 GFAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000112548578 655193238 /nfs/dbraw/zinc/19/32/38/655193238.db2.gz RMDUGLCRCSTVHT-ZYHUDNBSSA-N 1 0 379.810 2.606 10 0 GFAERO COc1cc(C[NH2+][C@H]2CCCC[C@H]2O)cc(I)c1OC ZINC000114215844 655218356 /nfs/dbraw/zinc/21/83/56/655218356.db2.gz LMTIFYALUHCLGP-QWHCGFSZSA-N 1 0 391.249 2.702 10 0 GFAERO Cc1cc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c2ccc(Br)cc2n1 ZINC000116785657 655253324 /nfs/dbraw/zinc/25/33/24/655253324.db2.gz DZGFVWPANMQSIM-AWEZNQCLSA-N 1 0 392.297 2.708 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)CCO1 ZINC000116789006 655253551 /nfs/dbraw/zinc/25/35/51/655253551.db2.gz IDUQMPWZHCFNLW-ZDUSSCGKSA-N 1 0 383.279 2.582 10 0 GFAERO CCOc1ccc(Br)cc1NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000118818058 655282413 /nfs/dbraw/zinc/28/24/13/655282413.db2.gz KMZUXHXPYFHJMY-CYBMUJFWSA-N 1 0 386.290 2.642 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(I)c(F)cc2F)C1 ZINC000120469424 655336559 /nfs/dbraw/zinc/33/65/59/655336559.db2.gz HDTIPPMABVHVLH-SECBINFHSA-N 1 0 394.203 2.784 10 0 GFAERO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000193506828 655410761 /nfs/dbraw/zinc/41/07/61/655410761.db2.gz SJDYQHUEGGQZFP-OCCSQVGLSA-N 1 0 377.286 2.814 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(C(=O)CCSc2nc3ccccc3s2)C[C@@H]1C ZINC000246700644 655430387 /nfs/dbraw/zinc/43/03/87/655430387.db2.gz JZZRPOJKPBVFDL-KBPBESRZSA-N 1 0 379.551 2.692 10 0 GFAERO CC(C)(CNC(=O)C1([NH3+])CCOCC1)Sc1ccc(Br)cc1 ZINC000261849589 655442640 /nfs/dbraw/zinc/44/26/40/655442640.db2.gz MHJZOGWQXIKZQI-UHFFFAOYSA-N 1 0 387.343 2.944 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@@H](C[NH2+]Cc2csc(Br)c2)[C@H](O)C1 ZINC000702765921 655521760 /nfs/dbraw/zinc/52/17/60/655521760.db2.gz STECWJDFJADCKJ-VXGBXAGGSA-N 1 0 391.331 2.828 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+]Cc2csc(Br)c2)C1 ZINC000702765911 655521776 /nfs/dbraw/zinc/52/17/76/655521776.db2.gz STECWJDFJADCKJ-NEPJUHHUSA-N 1 0 391.331 2.828 10 0 GFAERO Cc1ccc(NC(=O)[C@H](CCCC[NH3+])NC(=O)CNc2cccc(F)c2)cc1 ZINC000034866036 212159978 /nfs/dbraw/zinc/15/99/78/212159978.db2.gz IZAMDOLRGFXOQB-IBGZPJMESA-N 1 0 386.471 2.799 10 0 GFAERO CCC[N@H+](CCN1CCOCC1)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000022859609 212154061 /nfs/dbraw/zinc/15/40/61/212154061.db2.gz WBRIHNFWEHGPQZ-INIZCTEOSA-N 1 0 391.339 2.777 10 0 GFAERO O=C1NC(=O)[C@](CCc2ccccc2)(C2CC[NH+](Cc3ccncc3)CC2)N1 ZINC000011880957 221134935 /nfs/dbraw/zinc/13/49/35/221134935.db2.gz FKWDZXSPVHPRAM-QFIPXVFZSA-N 1 0 378.476 2.505 10 0 GFAERO CSCCC[NH2+][C@H]1CCc2c(c(C(=O)NCCc3ccccc3)nn2C)C1 ZINC000014744676 221316366 /nfs/dbraw/zinc/31/63/66/221316366.db2.gz CPGXTSMPEBMOBG-KRWDZBQOSA-N 1 0 386.565 2.593 10 0 GFAERO O=C1CC2(CN1Cc1ccc(Cl)cc1)CC[NH+](C[C@H]1COCCO1)CC2 ZINC000077485506 222283783 /nfs/dbraw/zinc/28/37/83/222283783.db2.gz YFLSWPPJXQWQMU-SFHVURJKSA-N 1 0 378.900 2.570 10 0 GFAERO Cc1cnc(CN2C[C@]3(CCC[N@H+](Cc4ncccc4C)C3)CCC2=O)cn1 ZINC000077564059 222284880 /nfs/dbraw/zinc/28/48/80/222284880.db2.gz GMJNAOWSPMQEID-JOCHJYFZSA-N 1 0 379.508 2.893 10 0 GFAERO [NH3+]C1CCN(c2nc3ccsc3c(=O)n2Cc2c(F)cccc2F)CC1 ZINC000057344471 527145623 /nfs/dbraw/zinc/14/56/23/527145623.db2.gz RBUIGWGSNOSSOK-UHFFFAOYSA-N 1 0 376.432 2.712 10 0 GFAERO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000151428585 551413437 /nfs/dbraw/zinc/41/34/37/551413437.db2.gz OAJJCCMECFNPHD-CQSZACIVSA-N 1 0 377.286 2.719 10 0 GFAERO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152234284 551428891 /nfs/dbraw/zinc/42/88/91/551428891.db2.gz QIABCNGAHFPGJU-YJBOKZPZSA-N 1 0 393.281 2.737 10 0 GFAERO O=C(CN1CC[C@@H](Oc2cccnc2)C1)Nc1ccc(Br)cc1 ZINC000152581235 551435771 /nfs/dbraw/zinc/43/57/71/551435771.db2.gz QDHFXLHJFVCQET-MRXNPFEDSA-N 1 0 376.254 2.936 10 0 GFAERO CCN(C(=O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000155976618 551512231 /nfs/dbraw/zinc/51/22/31/551512231.db2.gz BUXYMXXKEALSDO-AAEUAGOBSA-N 1 0 393.336 2.680 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cccc(C)c1Br ZINC000156490941 551523390 /nfs/dbraw/zinc/52/33/90/551523390.db2.gz TUFNMOJRUJDKQH-CYBMUJFWSA-N 1 0 375.332 2.862 10 0 GFAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000170866857 551641794 /nfs/dbraw/zinc/64/17/94/551641794.db2.gz OFHJEFOQEADXOH-HZPDHXFCSA-N 1 0 384.307 2.761 10 0 GFAERO O[C@@H](COc1cccc(Br)c1)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000171509616 551657663 /nfs/dbraw/zinc/65/76/63/551657663.db2.gz PGXNUDTZEAJXKJ-QGZVFWFLSA-N 1 0 394.313 2.798 10 0 GFAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000174744411 552109256 /nfs/dbraw/zinc/10/92/56/552109256.db2.gz RHCAGIBKASALLX-GFCCVEGCSA-N 1 0 388.281 2.619 10 0 GFAERO Cc1cc(Br)ccc1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000176867034 552147976 /nfs/dbraw/zinc/14/79/76/552147976.db2.gz ZYUOQEXKTOWDTB-AWEZNQCLSA-N 1 0 383.330 2.922 10 0 GFAERO OC[C@H]1c2ccccc2CC[N@H+]1C[C@H](O)COc1cccc(Br)c1 ZINC000177826645 552159238 /nfs/dbraw/zinc/15/92/38/552159238.db2.gz LCVZNWWMOZWEPN-LPHOPBHVSA-N 1 0 392.293 2.781 10 0 GFAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(Br)cc(Br)c2)C1 ZINC000179903948 552206442 /nfs/dbraw/zinc/20/64/42/552206442.db2.gz NSKUPDSBCIDEAW-LBPRGKRZSA-N 1 0 376.092 2.988 10 0 GFAERO C[C@@H]([NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCO1 ZINC000183218303 552303261 /nfs/dbraw/zinc/30/32/61/552303261.db2.gz ASDODQLKHCFSGB-NOZJJQNGSA-N 1 0 375.782 2.992 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cc(Br)c(C)cc1C ZINC000188057940 552432768 /nfs/dbraw/zinc/43/27/68/552432768.db2.gz YGCYGCQDRCCLRX-ZDUSSCGKSA-N 1 0 384.318 2.851 10 0 GFAERO CC[C@@H]1CN(C(=O)Cc2ccc(F)cc2Br)CC[N@@H+]1CCOC ZINC000188166264 552437561 /nfs/dbraw/zinc/43/75/61/552437561.db2.gz LCBIXMOQEJTLPD-OAHLLOKOSA-N 1 0 387.293 2.700 10 0 GFAERO CC[C@@H]1CN(C(=O)Cc2cccc(Br)c2C)CC[N@@H+]1C[C@@H](C)O ZINC000188343714 552442960 /nfs/dbraw/zinc/44/29/60/552442960.db2.gz ZHPONOYNHANFLR-CZUORRHYSA-N 1 0 383.330 2.604 10 0 GFAERO CC[C@@H]1CN(CCOc2cc(F)cc(Br)c2)CC[N@@H+]1C[C@@H](C)O ZINC000188956069 552459307 /nfs/dbraw/zinc/45/93/07/552459307.db2.gz IWGWYQZOZWDZJB-CZUORRHYSA-N 1 0 389.309 2.744 10 0 GFAERO C[C@@H]1C(=O)NCCCN1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000189271712 552467509 /nfs/dbraw/zinc/46/75/09/552467509.db2.gz PDTXWHUXZBFKJB-GFCCVEGCSA-N 1 0 375.270 2.617 10 0 GFAERO CCOC(=O)C1CCC(O)(C[N@H+](C)Cc2cc(Br)cn2C)CC1 ZINC000190936888 552513786 /nfs/dbraw/zinc/51/37/86/552513786.db2.gz NGZPVYSQMNFJPC-UHFFFAOYSA-N 1 0 387.318 2.704 10 0 GFAERO Cn1cc([C@@H]2CSCCN2C[C@H](O)COCc2ccc(Cl)cc2)cn1 ZINC000191203449 552521769 /nfs/dbraw/zinc/52/17/69/552521769.db2.gz HJECLYJBYQSUSE-ROUUACIJSA-N 1 0 381.929 2.741 10 0 GFAERO CCN(CC(=O)OC(C)(C)C)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000192216091 552556143 /nfs/dbraw/zinc/55/61/43/552556143.db2.gz MNLIEZJNMCYYAR-UHFFFAOYSA-N 1 0 388.555 2.565 10 0 GFAERO Cc1csc([C@@H]2CCCN(C[C@H](O)c3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000195322318 553044875 /nfs/dbraw/zinc/04/48/75/553044875.db2.gz VFZPQRXXGHMQOM-WBVHZDCISA-N 1 0 380.535 2.768 10 0 GFAERO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000247023703 553117265 /nfs/dbraw/zinc/11/72/65/553117265.db2.gz LXXXWWWDUHDSHH-IAGOWNOFSA-N 1 0 394.313 2.858 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000247060652 553117943 /nfs/dbraw/zinc/11/79/43/553117943.db2.gz IOZNYKSYCZXTAP-IAQYHMDHSA-N 1 0 387.311 2.960 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000247547186 553124064 /nfs/dbraw/zinc/12/40/64/553124064.db2.gz YYBUNIABGRVVPG-YPMHNXCESA-N 1 0 381.270 2.529 10 0 GFAERO CCN(C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000249762806 553146318 /nfs/dbraw/zinc/14/63/18/553146318.db2.gz HEWTYGWNRNDIMY-MBNYWOFBSA-N 1 0 390.908 2.554 10 0 GFAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3c(F)ccc(I)c3F)C[C@H]12 ZINC000262045427 553164517 /nfs/dbraw/zinc/16/45/17/553164517.db2.gz YXMOYNRHGUIXJG-MWODSPESSA-N 1 0 378.204 2.739 10 0 GFAERO OCCN1CCC[C@@H]([NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000384331263 563517818 /nfs/dbraw/zinc/51/78/18/563517818.db2.gz ALGXGMCRBPXYKC-GFCCVEGCSA-N 1 0 392.135 2.758 10 0 GFAERO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Br)C[C@@H]1[NH+](C)C ZINC000282364561 563408680 /nfs/dbraw/zinc/40/86/80/563408680.db2.gz UPUSLTMNCGAAPJ-SKDRFNHKSA-N 1 0 381.723 2.673 10 0 GFAERO C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Br)C[C@H]1[NH+](C)C ZINC000282364556 563408849 /nfs/dbraw/zinc/40/88/49/563408849.db2.gz UPUSLTMNCGAAPJ-JOYOIKCWSA-N 1 0 381.723 2.673 10 0 GFAERO Cc1[nH+]c2ccc(Br)cc2c(NC[C@@H](O)CN2CCOCC2)c1C ZINC000301717186 563411011 /nfs/dbraw/zinc/41/10/11/563411011.db2.gz HJKFUCUMESCMAM-OAHLLOKOSA-N 1 0 394.313 2.719 10 0 GFAERO C[NH+](C)C[C@@H]1CN(c2nn3cc(-c4ccc(Cl)cc4)nc3s2)CCO1 ZINC000302560610 563426712 /nfs/dbraw/zinc/42/67/12/563426712.db2.gz ZPQNGBDEAGGEFM-CQSZACIVSA-N 1 0 377.901 2.878 10 0 GFAERO COC(=O)c1cc(C)c2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NC(=O)OC(C)(C)C ZINC000725260761 570310689 /nfs/dbraw/zinc/31/06/89/570310689.db2.gz VVZMMLOFEMZSAB-VBKZILBWSA-N 1 0 376.453 2.862 10 0 GFAERO COCC1CCN(C(=O)c2ccnc(N3CC[NH2+][C@H](c4ccccc4)C3)c2)CC1 ZINC000065255925 570754254 /nfs/dbraw/zinc/75/42/54/570754254.db2.gz JLOYLYLJUWFMGX-NRFANRHFSA-N 1 0 394.519 2.731 10 0 GFAERO COCCN(C)c1cnn([C@H]2CCC[N@H+](Cc3cccc(C)c3C)C2)c(=O)c1 ZINC000583618415 570800368 /nfs/dbraw/zinc/80/03/68/570800368.db2.gz UNIAYYMTJLXDPU-FQEVSTJZSA-N 1 0 384.524 2.780 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000124615224 654779421 /nfs/dbraw/zinc/77/94/21/654779421.db2.gz VENPEGIWDQAWGR-ABAIWWIYSA-N 1 0 388.921 2.562 10 0 GFAERO Cc1noc([C@@H]2CCC[N@H+](C[C@@H](O)COc3cccc(Br)c3)C2)n1 ZINC000064638857 654873287 /nfs/dbraw/zinc/87/32/87/654873287.db2.gz QGSOADMXXNEGBA-UKRRQHHQSA-N 1 0 396.285 2.760 10 0 GFAERO CC[C@@H]1CN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC[N@@H+]1CCOC ZINC000106113211 655103531 /nfs/dbraw/zinc/10/35/31/655103531.db2.gz USKOCIHUNPTCSU-CVEARBPZSA-N 1 0 391.339 2.776 10 0 GFAERO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000106176347 655104509 /nfs/dbraw/zinc/10/45/09/655104509.db2.gz IYMIEGYTZKEQSM-CQSZACIVSA-N 1 0 392.301 2.700 10 0 GFAERO C[C@@H](O)C[N@@H+]1CCN(Cc2coc(-c3ccc(Br)cc3)n2)C[C@@H]1C ZINC000108867352 655138846 /nfs/dbraw/zinc/13/88/46/655138846.db2.gz YCFXJYRESDOEIX-UONOGXRCSA-N 1 0 394.313 2.991 10 0 GFAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(Br)c1)CC2 ZINC000112550641 655193118 /nfs/dbraw/zinc/19/31/18/655193118.db2.gz NRQRZDODOPPYQG-BXUZGUMPSA-N 1 0 392.301 2.535 10 0 GFAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000112548415 655193153 /nfs/dbraw/zinc/19/31/53/655193153.db2.gz HPJMASYMRPBYBJ-JQWIXIFHSA-N 1 0 379.810 2.606 10 0 GFAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1Br)CC2 ZINC000112551258 655193377 /nfs/dbraw/zinc/19/33/77/655193377.db2.gz QQFGXLZIRTUEGK-VXGBXAGGSA-N 1 0 392.301 2.535 10 0 GFAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Br)CC2 ZINC000112551254 655193555 /nfs/dbraw/zinc/19/35/55/655193555.db2.gz QQFGXLZIRTUEGK-NWDGAFQWSA-N 1 0 392.301 2.535 10 0 GFAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCSc2nc3ccccc3s2)C[C@H]1C ZINC000174338607 655199723 /nfs/dbraw/zinc/19/97/23/655199723.db2.gz JZZRPOJKPBVFDL-ZIAGYGMSSA-N 1 0 379.551 2.692 10 0 GFAERO C[NH+](C)[C@@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000117786527 655267956 /nfs/dbraw/zinc/26/79/56/655267956.db2.gz WTKKLWTULCMYIR-CYBMUJFWSA-N 1 0 381.249 2.550 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2ccccc2I)C1 ZINC000119461298 655304530 /nfs/dbraw/zinc/30/45/30/655304530.db2.gz LMGIQQOTTFTYBA-DOMZBBRYSA-N 1 0 386.277 2.679 10 0 GFAERO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)c2c(C)nn(C)c2Cl)C1 ZINC000190528807 655392718 /nfs/dbraw/zinc/39/27/18/655392718.db2.gz WZHSUUOUTQCDAX-ZDUSSCGKSA-N 1 0 381.933 2.741 10 0 GFAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(Cl)c(I)c1 ZINC000193630248 655411444 /nfs/dbraw/zinc/41/14/44/655411444.db2.gz WXOWGEXAFYORET-PRHODGIISA-N 1 0 378.641 2.815 10 0 GFAERO [NH3+]C[C@H]1CCCN1C(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000238047050 655427010 /nfs/dbraw/zinc/42/70/10/655427010.db2.gz ZPNVDXYUMMNBHZ-LLVKDONJSA-N 1 0 398.166 2.873 10 0 GFAERO COc1cc([C@H](C)[NH2+]C[C@H]2CCCC[C@H]2O)ccc1S(=O)(=O)C(F)F ZINC000248146835 655432277 /nfs/dbraw/zinc/43/22/77/655432277.db2.gz QHLGGUNYJAFYMW-IACUBPJLSA-N 1 0 377.453 2.893 10 0 GFAERO COc1ccc(Br)cc1CNC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263509126 655452304 /nfs/dbraw/zinc/45/23/04/655452304.db2.gz MWJBFSNARVRAGT-UHFFFAOYSA-N 1 0 397.313 2.875 10 0 GFAERO Cn1cc(C[NH2+]C(C)(C)CCNC(=O)OC(C)(C)C)c(Br)n1 ZINC000712406740 655522723 /nfs/dbraw/zinc/52/27/23/655522723.db2.gz YHEABBSKDBMNDR-UHFFFAOYSA-N 1 0 375.311 2.966 10 0 GFAERO CCOCC[N@@H+]1CCN(Cc2cnc3ccc(Br)cn23)C[C@@H]1C ZINC000120866803 677397993 /nfs/dbraw/zinc/39/79/93/677397993.db2.gz JJVSSJVHVINLCE-AWEZNQCLSA-N 1 0 381.318 2.639 10 0 GFAERO COc1ccc2c3c1O[C@@H]1[C@]34CC[N@@H+](C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](C(C)=O)C2 ZINC000005379125 204129654 /nfs/dbraw/zinc/12/96/54/204129654.db2.gz KRWAWNXEYPCCLG-LLGZQOTFSA-N 1 0 383.488 2.729 10 0 in-vitro GFAERO C[NH+](C)[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CCC(=O)NCCCn1ccnc1 ZINC000011789512 204352441 /nfs/dbraw/zinc/35/24/41/204352441.db2.gz PRMFMKMYMDGSKC-FCHUYYIVSA-N 1 0 397.567 2.622 10 0 GFAERO O=c1cc(-c2cccnc2)nc(-c2ccc(C[NH+]3CCC(CO)CC3)cc2)[nH]1 ZINC000048241158 205115259 /nfs/dbraw/zinc/11/52/59/205115259.db2.gz KSCKGLUZFOETMG-UHFFFAOYSA-N 1 0 376.460 2.703 10 0 GFAERO Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@H]([NH2+]Cc1cccnc1)C2 ZINC000014741967 205178195 /nfs/dbraw/zinc/17/81/95/205178195.db2.gz AHTOBZCXMFGOGH-SFHVURJKSA-N 1 0 393.466 2.531 10 0 GFAERO CC(=O)N1CCC([N@@H+]2CC[C@@]3(C2)CCCN(CC2CCCCC2)C3=O)CC1 ZINC000014956109 205180327 /nfs/dbraw/zinc/18/03/27/205180327.db2.gz DJESRTNFSCDOEA-JOCHJYFZSA-N 1 0 375.557 2.892 10 0 GFAERO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)c1cccc(NCc2ccccn2)c1C ZINC000065418981 205234576 /nfs/dbraw/zinc/23/45/76/205234576.db2.gz QGRZJNFUURGKPR-SFTDATJTSA-N 1 0 382.508 2.840 10 0 GFAERO CC(C)[C@H]1CN(C(=O)Cc2ccc3c(c2)NC(=O)CO3)CCC[N@@H+]1CC1CC1 ZINC000071749795 205288716 /nfs/dbraw/zinc/28/87/16/205288716.db2.gz YDEIXBDTCAOCSV-LJQANCHMSA-N 1 0 385.508 2.529 10 0 GFAERO CCN1C(=O)NC(=O)C12CC[NH+](Cc1ccc([C@H]3CCCCO3)s1)CC2 ZINC000072135139 205308066 /nfs/dbraw/zinc/30/80/66/205308066.db2.gz AJPBYGHPKUBNGR-OAHLLOKOSA-N 1 0 377.510 2.896 10 0 GFAERO CCOC(=O)C1CCN(c2nc3c(C)cccc3cc2C[NH2+]C[C@@H](C)O)CC1 ZINC000299760132 206186750 /nfs/dbraw/zinc/18/67/50/206186750.db2.gz HKCVFLSQUMOJEG-MRXNPFEDSA-N 1 0 385.508 2.793 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000113270190 551207684 /nfs/dbraw/zinc/20/76/84/551207684.db2.gz XHYAKDGDFZJZAY-GXTWGEPZSA-N 1 0 386.359 2.638 10 0 GFAERO CC[C@@H]1CN(Cc2cnc3ccc(Br)cn23)CC[N@@H+]1CCOC ZINC000120915608 551222494 /nfs/dbraw/zinc/22/24/94/551222494.db2.gz YDJFXIHEYSMYGX-OAHLLOKOSA-N 1 0 381.318 2.639 10 0 GFAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000121823471 551243285 /nfs/dbraw/zinc/24/32/85/551243285.db2.gz UTJNHUSJYZJUHS-LBPRGKRZSA-N 1 0 388.281 2.619 10 0 GFAERO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1cccnc1Cl ZINC000163489323 551620074 /nfs/dbraw/zinc/62/00/74/551620074.db2.gz POKLBJPZYXIGPB-NWDGAFQWSA-N 1 0 381.885 2.816 10 0 GFAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(I)cc2Cl)C1 ZINC000170868703 551641852 /nfs/dbraw/zinc/64/18/52/551641852.db2.gz YQBRNVKVCLTGEX-JTQLQIEISA-N 1 0 378.641 2.721 10 0 GFAERO CCc1c(C(=O)N2CC[C@@H]([NH+](C)C)C2)cnn1-c1ccc(Br)cc1 ZINC000170865646 551641915 /nfs/dbraw/zinc/64/19/15/551641915.db2.gz NSZCNLHNBMXVDF-OAHLLOKOSA-N 1 0 391.313 2.973 10 0 GFAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(Br)cc3)C2=O)n(C)n1 ZINC000173850138 552094164 /nfs/dbraw/zinc/09/41/64/552094164.db2.gz BZDIUHITBXMZOW-OAHLLOKOSA-N 1 0 377.286 2.776 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2cc(F)c(Br)cc2F)CCO1 ZINC000181281973 552252365 /nfs/dbraw/zinc/25/23/65/552252365.db2.gz XGRQBRDUGQBPCJ-VIFPVBQESA-N 1 0 378.217 2.522 10 0 GFAERO Cc1nc(Br)ccc1NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000181337173 552253700 /nfs/dbraw/zinc/25/37/00/552253700.db2.gz DFSBIIKJUFRCDM-LBPRGKRZSA-N 1 0 399.333 2.709 10 0 GFAERO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000181562279 552261188 /nfs/dbraw/zinc/26/11/88/552261188.db2.gz CQYFONCGLYXRBU-LBPRGKRZSA-N 1 0 381.885 2.585 10 0 GFAERO CCCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000183003572 552298522 /nfs/dbraw/zinc/29/85/22/552298522.db2.gz KWKBXDNSEQSPOG-RWMBFGLXSA-N 1 0 392.974 2.866 10 0 GFAERO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)c1cc(F)ccc1Br ZINC000188221933 552439779 /nfs/dbraw/zinc/43/97/79/552439779.db2.gz HMBWVVCSTXPUDY-GFCCVEGCSA-N 1 0 381.311 2.843 10 0 GFAERO Cc1cc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc(C)c1Br ZINC000190624077 552503730 /nfs/dbraw/zinc/50/37/30/552503730.db2.gz VPSXVALFRWWORW-ZFWWWQNUSA-N 1 0 396.329 2.849 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccc(Br)c(C)c1F ZINC000192562233 552566950 /nfs/dbraw/zinc/56/69/50/552566950.db2.gz FKJRMTXQCGXANR-JTQLQIEISA-N 1 0 388.281 2.682 10 0 GFAERO [NH3+]C[C@@H]1CCCN1S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000193296454 552989450 /nfs/dbraw/zinc/98/94/50/552989450.db2.gz HTEBFAKMSQPNFM-VIFPVBQESA-N 1 0 387.221 2.580 10 0 GFAERO Cc1c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cnn1-c1ccc(Br)cc1 ZINC000195327950 553045755 /nfs/dbraw/zinc/04/57/55/553045755.db2.gz OEHMREZWJKMQGQ-INIZCTEOSA-N 1 0 389.297 2.863 10 0 GFAERO [NH3+]C[C@@H]1CCCN1S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000237980057 553084828 /nfs/dbraw/zinc/08/48/28/553084828.db2.gz IIXUNXZDSDXEMN-JTQLQIEISA-N 1 0 387.221 2.580 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@H](CO)c2cccc(Br)c2)C1 ZINC000246570422 553109971 /nfs/dbraw/zinc/10/99/71/553109971.db2.gz BUCSLHICQFNBJN-DAXOMENPSA-N 1 0 384.318 2.510 10 0 GFAERO CC[C@@H]1CN(C(=O)c2cc(Br)cn2C(C)C)CC[N@@H+]1C[C@H](C)O ZINC000246753013 553112786 /nfs/dbraw/zinc/11/27/86/553112786.db2.gz HAJPJYUUHZXFQO-DZGCQCFKSA-N 1 0 386.334 2.749 10 0 GFAERO CC[C@H]1CN(C(=O)CCc2cc(Br)cs2)CC[N@@H+]1C[C@H](C)O ZINC000246930066 553115747 /nfs/dbraw/zinc/11/57/47/553115747.db2.gz RFUMWNFTKFMMTP-JSGCOSHPSA-N 1 0 389.359 2.747 10 0 GFAERO COc1ccc(Br)cc1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247458472 553122266 /nfs/dbraw/zinc/12/22/66/553122266.db2.gz QOZGQCRQWHBRHD-WFASDCNBSA-N 1 0 382.302 2.836 10 0 GFAERO COc1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc(OC)c1Br ZINC000247555183 553124279 /nfs/dbraw/zinc/12/42/79/553124279.db2.gz ZPOPYJXRMRBWAP-YPMHNXCESA-N 1 0 383.286 2.775 10 0 GFAERO CC[C@H]1CN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC[N@@H+]1CCOC ZINC000247804684 553125630 /nfs/dbraw/zinc/12/56/30/553125630.db2.gz SGXHCLZBFRPOGV-LSDHHAIUSA-N 1 0 391.339 2.776 10 0 GFAERO C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000248496544 553130750 /nfs/dbraw/zinc/13/07/50/553130750.db2.gz LLDGBGIQJQBTGX-UWWQBHOKSA-N 1 0 389.323 2.890 10 0 GFAERO C[C@@H](C[N@H+](C)C[C@@H](O)CN1CCCC1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000248865265 553136303 /nfs/dbraw/zinc/13/63/03/553136303.db2.gz ATUPIDJKKIDMAR-QWHCGFSZSA-N 1 0 375.296 2.676 10 0 GFAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc(I)cc1 ZINC000252661797 553150419 /nfs/dbraw/zinc/15/04/19/553150419.db2.gz POGPQPYSNACPLU-DOMZBBRYSA-N 1 0 384.261 2.990 10 0 GFAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cccc(I)c1 ZINC000252661955 553150431 /nfs/dbraw/zinc/15/04/31/553150431.db2.gz RZOLZEXOLSALCQ-WFASDCNBSA-N 1 0 384.261 2.990 10 0 GFAERO CC[C@H]1CN(C(=O)Cc2ccc(C)c(Br)c2)CC[N@@H+]1C[C@H](C)O ZINC000253295679 553150764 /nfs/dbraw/zinc/15/07/64/553150764.db2.gz RUSVNGBBSOUINV-HOCLYGCPSA-N 1 0 383.330 2.604 10 0 GFAERO C[N@H+](CC(=O)[O-])[C@H]1CCCN(Cc2cc(Br)cc3c2OCC3)CC1 ZINC000263530661 553189025 /nfs/dbraw/zinc/18/90/25/553189025.db2.gz WJIPCSSEZICXJH-INIZCTEOSA-N 1 0 397.313 2.755 10 0 GFAERO O=C(Nc1ccc(I)cc1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000593903291 565365948 /nfs/dbraw/zinc/36/59/48/565365948.db2.gz XSVRFCPKIWJTKW-NXEZZACHSA-N 1 0 384.139 2.628 10 0 GFAERO COC(=O)c1cc(F)c2c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)C1)C[C@@H]2[NH3+] ZINC000725259712 570306705 /nfs/dbraw/zinc/30/67/05/570306705.db2.gz IGBIKQPCTLLHBU-DJJJIMSYSA-N 1 0 380.416 2.774 10 0 GFAERO COC(=O)c1cc(C)c2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NC(=O)OC(C)(C)C ZINC000725260766 570310719 /nfs/dbraw/zinc/31/07/19/570310719.db2.gz VVZMMLOFEMZSAB-XOBRGWDASA-N 1 0 376.453 2.862 10 0 GFAERO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000041066391 654622340 /nfs/dbraw/zinc/62/23/40/654622340.db2.gz KCTBIJDDCJDVDE-LLVKDONJSA-N 1 0 398.754 2.752 10 0 GFAERO Cc1c(C(=O)N2CC[C@H]([NH+](C)C)C2)cnn1-c1cccc(Br)c1 ZINC000106023687 655101023 /nfs/dbraw/zinc/10/10/23/655101023.db2.gz CRPCKRUEUJXEJV-HNNXBMFYSA-N 1 0 377.286 2.719 10 0 GFAERO CCOCC[N@@H+]1CCN(CC(=O)Nc2ccccc2Br)C[C@@H]1CC ZINC000106117933 655103528 /nfs/dbraw/zinc/10/35/28/655103528.db2.gz CFHYJOXSDGDYGW-HNNXBMFYSA-N 1 0 398.345 2.820 10 0 GFAERO CC[C@@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC[N@@H+]1CCOC ZINC000106113196 655103568 /nfs/dbraw/zinc/10/35/68/655103568.db2.gz OTQWAWYTFMYKJS-CVEARBPZSA-N 1 0 391.339 2.776 10 0 GFAERO CN(C(=O)c1cc(Br)cs1)C1CC[NH+](CCn2cccn2)CC1 ZINC000109291681 655144512 /nfs/dbraw/zinc/14/45/12/655144512.db2.gz IOGWRUBSYIVSHA-UHFFFAOYSA-N 1 0 397.342 2.944 10 0 GFAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccccc1Br ZINC000111799409 655177411 /nfs/dbraw/zinc/17/74/11/655177411.db2.gz OCORLCWUDWGEIH-UONOGXRCSA-N 1 0 384.318 2.920 10 0 GFAERO Cc1ccc(I)c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000113222546 655205671 /nfs/dbraw/zinc/20/56/71/655205671.db2.gz CUWWOPKPLFVZBW-STQMWFEESA-N 1 0 384.261 2.908 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(I)cc1 ZINC000174993679 655211754 /nfs/dbraw/zinc/21/17/54/655211754.db2.gz VUHGNRFHDBLORA-HUUCEWRRSA-N 1 0 384.261 2.990 10 0 GFAERO Cn1cc([C@@H]2CC[N@H+](Cn3ccc(=O)c4cccc(Br)c43)C2)cn1 ZINC000116259568 655247065 /nfs/dbraw/zinc/24/70/65/655247065.db2.gz RLOCJAIIOUSGCI-CYBMUJFWSA-N 1 0 387.281 2.945 10 0 GFAERO Cc1c2cc(Br)ccc2oc1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116794146 655253963 /nfs/dbraw/zinc/25/39/63/655253963.db2.gz PHBUZZFZVRQAMN-ZDUSSCGKSA-N 1 0 381.270 2.906 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)Cc2csc(-c3ccccc3Cl)n2)CCO1 ZINC000116796231 655253975 /nfs/dbraw/zinc/25/39/75/655253975.db2.gz DFYLWHLGXIWNGA-CQSZACIVSA-N 1 0 379.913 2.795 10 0 GFAERO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177683833 655285945 /nfs/dbraw/zinc/28/59/45/655285945.db2.gz UHLSPLWZNFXVMR-LLVKDONJSA-N 1 0 375.778 2.604 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1ccccc1I ZINC000119254642 655295262 /nfs/dbraw/zinc/29/52/62/655295262.db2.gz SDWDPVTZDRENCC-CQSZACIVSA-N 1 0 386.277 2.776 10 0 GFAERO CC[C@@H]1CN(C(=O)c2ccc(OC(F)(F)Cl)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000194695431 655417071 /nfs/dbraw/zinc/41/70/71/655417071.db2.gz WJSVYQVRCHHIMD-TZMCWYRMSA-N 1 0 376.831 2.772 10 0 GFAERO C[NH2+][C@@H](C)CNC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000261854190 655442633 /nfs/dbraw/zinc/44/26/33/655442633.db2.gz XPLQAURILOGFIY-NSHDSACASA-N 1 0 394.269 2.561 10 0 GFAERO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC(F)(F)CN2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000263039912 655448916 /nfs/dbraw/zinc/44/89/16/655448916.db2.gz SSFVFZVJIPUCKW-BYCMXARLSA-N 1 0 375.822 2.585 10 0 GFAERO CC[C@H](O)C[NH+]1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000118859325 677395717 /nfs/dbraw/zinc/39/57/17/677395717.db2.gz HZAFONWIIUDCQT-NSHDSACASA-N 1 0 394.730 2.974 10 0 GFAERO Cc1c(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)cnn1C ZINC000011700607 204351261 /nfs/dbraw/zinc/35/12/61/204351261.db2.gz VRGUPTPSKZYNPY-KRWDZBQOSA-N 1 0 378.480 2.765 10 0 GFAERO Cc1cc(C[N@@H+](C)C2CCN(c3ccc(C(=O)N4CCOCC4)cc3)CC2)on1 ZINC000011998036 204365340 /nfs/dbraw/zinc/36/53/40/204365340.db2.gz LCAPVTKPINQRJJ-UHFFFAOYSA-N 1 0 398.507 2.556 10 0 GFAERO CC(C)OCC[NH2+][C@H]1CCc2c(c(C(=O)N(C)C)nn2Cc2ccccc2)C1 ZINC000014751257 204541456 /nfs/dbraw/zinc/54/14/56/204541456.db2.gz TUJZWMWPFKAGIW-SFHVURJKSA-N 1 0 384.524 2.505 10 0 GFAERO CC[C@H](C)[C@@H]([NH2+]C[C@H](O)COC(C)C)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000036154956 205008267 /nfs/dbraw/zinc/00/82/67/205008267.db2.gz XCABMVCFTQFCMT-DHSIGJKJSA-N 1 0 391.468 2.928 10 0 GFAERO Cc1cc(C)c2nc(-c3cnc(N)nc3)cc(C(=O)N(C)CC[NH+](C)C)c2c1 ZINC000063869788 205186805 /nfs/dbraw/zinc/18/68/05/205186805.db2.gz OSKXGGQCTJLLCF-UHFFFAOYSA-N 1 0 378.480 2.524 10 0 GFAERO CN(C)C(=O)c1cc2c(s1)CC[C@@H](C(=O)N1CC[NH+](C3CCCC3)CC1)C2 ZINC000065273199 205226004 /nfs/dbraw/zinc/22/60/04/205226004.db2.gz YINPJAWBPBWKQR-OAHLLOKOSA-N 1 0 389.565 2.642 10 0 GFAERO CN(C)C(=O)c1cc2c(s1)CC[C@@H](C(=O)NCC[N@H+](C)C1CCCCC1)C2 ZINC000065273119 205226625 /nfs/dbraw/zinc/22/66/25/205226625.db2.gz BHFRWNRLWFHVDM-OAHLLOKOSA-N 1 0 391.581 2.936 10 0 GFAERO O=C1N[C@@](CCCc2ccccc2)(C2CC[NH2+]CC2)C(=O)N1Cc1cscn1 ZINC000067920797 205269002 /nfs/dbraw/zinc/26/90/02/205269002.db2.gz VIJNKBJWLTUWQV-NRFANRHFSA-N 1 0 398.532 2.956 10 0 GFAERO Cc1cc(=O)oc2cc(NC(=O)CC[NH+]3CCN(c4ccccn4)CC3)ccc12 ZINC000211656412 136202880 /nfs/dbraw/zinc/20/28/80/136202880.db2.gz QUFHSKOXZKKIPT-UHFFFAOYSA-N 1 0 392.459 2.647 10 0 GFAERO FC(F)(F)c1ccc(-n2nnc(CN3CC[NH2+]CC3)c2-c2ccncc2)cc1 ZINC000057345380 527681244 /nfs/dbraw/zinc/68/12/44/527681244.db2.gz RKOIREQUEWMKOU-UHFFFAOYSA-N 1 0 388.397 2.753 10 0 GFAERO Brc1ccc2c(c1)C=C(C[N@@H+]1CC[C@@H](N3CCOCC3)C1)CO2 ZINC000121055655 551226375 /nfs/dbraw/zinc/22/63/75/551226375.db2.gz QVWZPUFLNRVSBL-QGZVFWFLSA-N 1 0 379.298 2.631 10 0 GFAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cn1)c1ccc(S(C)(=O)=O)cc1 ZINC000125255223 551321063 /nfs/dbraw/zinc/32/10/63/551321063.db2.gz ODQAMJVORKISRF-NEPJUHHUSA-N 1 0 381.885 2.816 10 0 GFAERO CC[C@H]1C[N@H+](C[C@H](O)COCc2ccc(Cl)cc2)CCN1CC(F)F ZINC000153505017 551454088 /nfs/dbraw/zinc/45/40/88/551454088.db2.gz PNXAJLBDJXSRSX-IRXDYDNUSA-N 1 0 376.875 2.879 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(Br)c2)C1 ZINC000154932661 551486365 /nfs/dbraw/zinc/48/63/65/551486365.db2.gz IKISGTSEUWTAOB-LLVKDONJSA-N 1 0 388.693 2.642 10 0 GFAERO C[NH+](C)C[C@@H]1CN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CCO1 ZINC000155358484 551497965 /nfs/dbraw/zinc/49/79/65/551497965.db2.gz CIDNKKDVUYDSPX-GFCCVEGCSA-N 1 0 379.810 2.560 10 0 GFAERO C[NH+](C)[C@H]1CCN(C(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000170836024 551641007 /nfs/dbraw/zinc/64/10/07/551641007.db2.gz YPDFSPXPNIRTBB-LBPRGKRZSA-N 1 0 392.244 2.896 10 0 GFAERO COc1cc(Br)c(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000171891462 551666292 /nfs/dbraw/zinc/66/62/92/551666292.db2.gz WBOPNBRPKZHMSA-NSHDSACASA-N 1 0 384.274 2.778 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(I)c1 ZINC000174974859 552113203 /nfs/dbraw/zinc/11/32/03/552113203.db2.gz PPAKHIDZWGSVSD-HUUCEWRRSA-N 1 0 384.261 2.990 10 0 GFAERO CC[C@@H](O)C[NH+]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000179560308 552196551 /nfs/dbraw/zinc/19/65/51/552196551.db2.gz XLFQDXUCPFLYAD-GOSISDBHSA-N 1 0 393.329 2.523 10 0 GFAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(Br)cc(Br)c2)C1 ZINC000179903929 552206618 /nfs/dbraw/zinc/20/66/18/552206618.db2.gz NSKUPDSBCIDEAW-GFCCVEGCSA-N 1 0 376.092 2.988 10 0 GFAERO CC(C)(C)OC[C@H](O)C[NH2+]C(C)(C)COc1ncccc1Br ZINC000181517950 552259449 /nfs/dbraw/zinc/25/94/49/552259449.db2.gz MONBJVIGDXDDTR-GFCCVEGCSA-N 1 0 375.307 2.767 10 0 GFAERO COc1cc(Br)ccc1CCCN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000181815654 552268256 /nfs/dbraw/zinc/26/82/56/552268256.db2.gz MPLSSFOAJPFHOI-LSDHHAIUSA-N 1 0 385.346 2.777 10 0 GFAERO OCC[C@]1(C[NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)CCOC1 ZINC000186251351 552382660 /nfs/dbraw/zinc/38/26/60/552382660.db2.gz DAKCQDJAPVDCOJ-QZTJIDSGSA-N 1 0 392.297 2.707 10 0 GFAERO Fc1cc(Br)cc(OCC[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000189012417 552460950 /nfs/dbraw/zinc/46/09/50/552460950.db2.gz ZGLPOGGGEGDODD-ZDUSSCGKSA-N 1 0 383.265 2.971 10 0 GFAERO Cc1csc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1I ZINC000191650975 552534245 /nfs/dbraw/zinc/53/42/45/552534245.db2.gz JWGSGEUQSRVCBI-WDEREUQCSA-N 1 0 390.290 2.970 10 0 GFAERO O=C1[C@H]([NH2+][C@@H](CO)c2ccccc2)CCN1c1cccc(Br)c1 ZINC000192075764 552549360 /nfs/dbraw/zinc/54/93/60/552549360.db2.gz FWSDYXOCQCAMFQ-SJORKVTESA-N 1 0 375.266 2.878 10 0 GFAERO C[C@@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1Cl ZINC000193109653 552983704 /nfs/dbraw/zinc/98/37/04/552983704.db2.gz RANHXUGXQIGJKZ-VXGBXAGGSA-N 1 0 381.885 2.665 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000194147681 553012801 /nfs/dbraw/zinc/01/28/01/553012801.db2.gz YHGOMBFJVUOOBI-LLVKDONJSA-N 1 0 377.794 2.898 10 0 GFAERO O[C@H](COc1cccc(Br)c1)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195507089 553050892 /nfs/dbraw/zinc/05/08/92/553050892.db2.gz DEENBWOMGUHYBF-HNNXBMFYSA-N 1 0 380.286 2.792 10 0 GFAERO Cn1nccc1C1CC[NH+](C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000195503997 553051010 /nfs/dbraw/zinc/05/10/10/553051010.db2.gz SCJZEBAQJLFRQM-MRXNPFEDSA-N 1 0 394.313 2.802 10 0 GFAERO CCCC[N@H+](C[C@@H](O)COCc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000246223745 553104298 /nfs/dbraw/zinc/10/42/98/553104298.db2.gz DYWIURFFJKWHJX-ZWKOTPCHSA-N 1 0 389.945 2.507 10 0 GFAERO Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246267209 553105202 /nfs/dbraw/zinc/10/52/02/553105202.db2.gz ADZCIWQJERSXOW-IAQYHMDHSA-N 1 0 382.302 2.541 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000246536254 553108973 /nfs/dbraw/zinc/10/89/73/553108973.db2.gz VENPEGIWDQAWGR-IAQYHMDHSA-N 1 0 388.921 2.562 10 0 GFAERO COc1cc(Br)c(CN2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1OC ZINC000246631339 553110761 /nfs/dbraw/zinc/11/07/61/553110761.db2.gz ZLKJHFHBKHFLRS-CZUORRHYSA-N 1 0 399.329 2.619 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(C(=O)CCCOc2ccccc2Br)C[C@H]1C ZINC000246778688 553112975 /nfs/dbraw/zinc/11/29/75/553112975.db2.gz PWKMFETWDUFAQG-CABCVRRESA-N 1 0 399.329 2.522 10 0 GFAERO C[C@H](O)CN1CCN(C(=O)c2ccc(Br)cc2Cl)C[C@H]1C ZINC000246925560 553115914 /nfs/dbraw/zinc/11/59/14/553115914.db2.gz YZWSTVTTWJNEHH-MNOVXSKESA-N 1 0 375.694 2.630 10 0 GFAERO CC[C@@H]1CN([C@H](C)C(=O)Nc2cccc(Br)c2)CC[N@@H+]1CCOC ZINC000247543840 553123190 /nfs/dbraw/zinc/12/31/90/553123190.db2.gz DHGYUBVNUNVKHZ-RHSMWYFYSA-N 1 0 398.345 2.819 10 0 GFAERO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1)c1ccc(Br)cc1 ZINC000247572359 553124258 /nfs/dbraw/zinc/12/42/58/553124258.db2.gz WVYDJPIFYRLPGZ-DZGCQCFKSA-N 1 0 391.313 2.849 10 0 GFAERO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OCC3CCC3)C[C@@H]12 ZINC000249611740 553145023 /nfs/dbraw/zinc/14/50/23/553145023.db2.gz SEOWAEBWWBVBNB-NUEKZKHPSA-N 1 0 384.929 2.877 10 0 GFAERO C[C@@]([NH3+])(C(=O)N1CCC(c2cc[nH]n2)CC1)c1ccc(Br)cc1 ZINC000261877379 553161841 /nfs/dbraw/zinc/16/18/41/553161841.db2.gz YPSIPJTVGJVILH-KRWDZBQOSA-N 1 0 377.286 2.752 10 0 GFAERO COc1cc(Br)c(CN[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1OC ZINC000261912115 553162150 /nfs/dbraw/zinc/16/21/50/553162150.db2.gz JDHCDNBAQQHOFC-IMJJTQAJSA-N 1 0 399.329 2.713 10 0 GFAERO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)Oc1cccc(Br)c1 ZINC000261886611 553162173 /nfs/dbraw/zinc/16/21/73/553162173.db2.gz FXXHSANVWZXIOI-RNJTYBCJSA-N 1 0 383.330 2.963 10 0 GFAERO C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)Oc1cccc(Br)c1 ZINC000261886610 553162290 /nfs/dbraw/zinc/16/22/90/553162290.db2.gz FXXHSANVWZXIOI-PILAGYSTSA-N 1 0 383.330 2.963 10 0 GFAERO C[C@@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@@H]1C[NH3+] ZINC000638902065 565217007 /nfs/dbraw/zinc/21/70/07/565217007.db2.gz LFTKALDZYWYTRO-BDAKNGLRSA-N 1 0 376.092 2.878 10 0 GFAERO CCOC(=O)c1ccc2c(c1)[C@H](NC(=O)OC(C)(C)C)C[C@@]1(CC[NH2+]C1)O2 ZINC000725260134 570307810 /nfs/dbraw/zinc/30/78/10/570307810.db2.gz NEJAQFHCOUAUTG-FOIQADDNSA-N 1 0 376.453 2.944 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)OCc3ccccc3)C[C@@H](C1)[C@@H]2[NH3+] ZINC000238855615 570679823 /nfs/dbraw/zinc/67/98/23/570679823.db2.gz SGHUIAHMXYQPIE-FZDBZEDMSA-N 1 0 389.496 2.886 10 0 GFAERO CC[NH+]1CCN(c2ccc(N)cc2NC(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000226259720 570935246 /nfs/dbraw/zinc/93/52/46/570935246.db2.gz HLFZQGPOYMFANL-UHFFFAOYSA-N 1 0 384.480 2.680 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000052561799 654736872 /nfs/dbraw/zinc/73/68/72/654736872.db2.gz ZOZHVLTVSLJFMX-HNNXBMFYSA-N 1 0 397.317 2.561 10 0 GFAERO O[C@H](COCc1ccc(Cl)cc1)C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000064401234 654868334 /nfs/dbraw/zinc/86/83/34/654868334.db2.gz QYGYLNFYDQCTFB-KRWDZBQOSA-N 1 0 381.929 2.886 10 0 GFAERO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000134602603 654997408 /nfs/dbraw/zinc/99/74/08/654997408.db2.gz FQVJOJHTKGJDRX-HNNXBMFYSA-N 1 0 377.286 2.719 10 0 GFAERO CCOCC[N@@H+]1CCN(CC(=O)N(C)Cc2ccc(Cl)s2)C[C@@H]1CC ZINC000106118522 655103747 /nfs/dbraw/zinc/10/37/47/655103747.db2.gz KFMPZAXYFOVXEJ-HNNXBMFYSA-N 1 0 387.977 2.793 10 0 GFAERO Cn1c(COc2ccccc2Cl)nn(CN2CC[C@H]([NH+](C)C)C2)c1=S ZINC000170843692 655146486 /nfs/dbraw/zinc/14/64/86/655146486.db2.gz FUIKYELOIOZSHZ-ZDUSSCGKSA-N 1 0 381.933 2.777 10 0 GFAERO CC[C@@H]1CN(C(=O)CCc2ccc(Br)cc2)CC[N@@H+]1CCOC ZINC000176419563 655244959 /nfs/dbraw/zinc/24/49/59/655244959.db2.gz JKOLVVVVHJSQEC-QGZVFWFLSA-N 1 0 383.330 2.951 10 0 GFAERO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178632178 655306481 /nfs/dbraw/zinc/30/64/81/655306481.db2.gz HWEYVSMUUHRHCC-WMLDXEAASA-N 1 0 380.330 2.576 10 0 GFAERO O[C@@H](COCc1ccc(Cl)cc1)C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000120129139 655328648 /nfs/dbraw/zinc/32/86/48/655328648.db2.gz AELISDKANPKJIW-MRXNPFEDSA-N 1 0 380.838 2.788 10 0 GFAERO COC(=O)C[C@H](NC(=O)c1coc(C[NH3+])c1)c1cccc(Br)c1 ZINC000187512811 655375020 /nfs/dbraw/zinc/37/50/20/655375020.db2.gz RSUAMDQQYOXWIL-AWEZNQCLSA-N 1 0 381.226 2.535 10 0 GFAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000237700476 655426538 /nfs/dbraw/zinc/42/65/38/655426538.db2.gz XHYVPBMENROCLP-BRZZBQFESA-N 1 0 382.291 2.746 10 0 GFAERO [NH3+][C@H]1CC[C@@H](C(=O)NCCSCCOc2cccc(Br)c2)C1 ZINC000237933083 655426817 /nfs/dbraw/zinc/42/68/17/655426817.db2.gz BPMCRXTWFDUESS-OCCSQVGLSA-N 1 0 387.343 2.805 10 0 GFAERO COCCN1CCN(C(=O)[C@H](C)Sc2nc3ccccc3s2)C[C@H]1C ZINC000245756876 655428511 /nfs/dbraw/zinc/42/85/11/655428511.db2.gz YOJSPCMGQCEXGB-KGLIPLIRSA-N 1 0 379.551 2.956 10 0 GFAERO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000261733868 655442011 /nfs/dbraw/zinc/44/20/11/655442011.db2.gz LWCVPUHHEOBULZ-ZCFIWIBFSA-N 1 0 376.103 2.642 10 0 GFAERO COC[C@@H]([NH3+])C(=O)Nc1nc(C)c(Cc2cccc(Br)c2)s1 ZINC000262595496 655446411 /nfs/dbraw/zinc/44/64/11/655446411.db2.gz WYFDZVMRDNDPCG-GFCCVEGCSA-N 1 0 384.299 2.717 10 0 GFAERO O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262836951 655447353 /nfs/dbraw/zinc/44/73/53/655447353.db2.gz SQGCJJKLYRWSSZ-ABAIWWIYSA-N 1 0 383.279 2.578 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+]Cc2ccc(Br)s2)C1 ZINC000702763173 655521754 /nfs/dbraw/zinc/52/17/54/655521754.db2.gz MWWOVZUDQCHCSQ-PWSUYJOCSA-N 1 0 391.331 2.828 10 0 GFAERO CC(C)(C)n1nc(Br)c2c1ncnc2N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000891762928 663349614 /nfs/dbraw/zinc/34/96/14/663349614.db2.gz LAKZCIPAZZQCDS-LLVKDONJSA-N 1 0 379.306 2.628 10 0 GFAERO O=C(NC1CCCC1)c1cn([C@@H]2CCC[N@H+](Cc3ccc4c(c3)OCO4)C2)nn1 ZINC000012028626 204367220 /nfs/dbraw/zinc/36/72/20/204367220.db2.gz FTGZCLONHRAGAY-QGZVFWFLSA-N 1 0 397.479 2.516 10 0 GFAERO CC(C)[NH+]1CCC(N[C@@H]2CCCc3nc(N4CCC(CO)CC4)ncc32)CC1 ZINC000012432157 204408841 /nfs/dbraw/zinc/40/88/41/204408841.db2.gz LWBBJVHFZOAUCH-HXUWFJFHSA-N 1 0 387.572 2.525 10 0 GFAERO COc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)C2CCCCCC2)c1 ZINC000065314923 205229214 /nfs/dbraw/zinc/22/92/14/205229214.db2.gz QMGRFMPCCHZHEW-UHFFFAOYSA-N 1 0 387.524 2.682 10 0 GFAERO Cc1ccc(CN2CCc3c(cc(C(=O)NCC[NH+]4CCCC4)n3C)C2)cc1 ZINC000065210943 205219843 /nfs/dbraw/zinc/21/98/43/205219843.db2.gz SOPGTQOLURLIJX-UHFFFAOYSA-N 1 0 380.536 2.717 10 0 GFAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ncc(-c3ccccc3Br)o2)C[C@@H]1C ZINC000119142307 551214993 /nfs/dbraw/zinc/21/49/93/551214993.db2.gz AYPSFUZQIRRSAB-UONOGXRCSA-N 1 0 394.313 2.991 10 0 GFAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1cc(F)c(Br)cc1F ZINC000121524429 551236208 /nfs/dbraw/zinc/23/62/08/551236208.db2.gz KNPMEHPRXQQIDW-JTQLQIEISA-N 1 0 392.244 2.696 10 0 GFAERO CCn1cnnc1[C@@H]1CCC[N@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000152906135 551442136 /nfs/dbraw/zinc/44/21/36/551442136.db2.gz DCMCVXGOYDOSDZ-CJNGLKHVSA-N 1 0 379.302 2.974 10 0 GFAERO C[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1cccnc1Cl ZINC000163489092 551619972 /nfs/dbraw/zinc/61/99/72/551619972.db2.gz POKLBJPZYXIGPB-RYUDHWBXSA-N 1 0 381.885 2.816 10 0 GFAERO C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000170866819 551641609 /nfs/dbraw/zinc/64/16/09/551641609.db2.gz KXJLVALJCUVQDC-XJKSGUPXSA-N 1 0 384.307 2.761 10 0 GFAERO CN(Cc1cncc(Br)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000170942247 551643620 /nfs/dbraw/zinc/64/36/20/551643620.db2.gz JGMFAQJSIPMNKC-UHFFFAOYSA-N 1 0 378.318 2.637 10 0 GFAERO C[C@@H]([NH2+]CC(=O)NCC(=O)Nc1ccccc1Br)c1cccs1 ZINC000171112203 551647419 /nfs/dbraw/zinc/64/74/19/551647419.db2.gz ATCOZFHQWFIUND-LLVKDONJSA-N 1 0 396.310 2.916 10 0 GFAERO O[C@@H](COc1ccc(Cl)cc1Br)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171649194 551659552 /nfs/dbraw/zinc/65/95/52/551659552.db2.gz JUZKEGWCRFYLCU-ZIAGYGMSSA-N 1 0 389.721 2.622 10 0 GFAERO C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1c(Cl)ccc(F)c1Cl ZINC000174148257 552100633 /nfs/dbraw/zinc/10/06/33/552100633.db2.gz MCMBVMDOXYDDGR-QWRGUYRKSA-N 1 0 390.286 2.720 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2ccc(Cl)cc2Br)CCO1 ZINC000181239526 552251243 /nfs/dbraw/zinc/25/12/43/552251243.db2.gz YNGSQIWWPZVRMK-NSHDSACASA-N 1 0 376.682 2.897 10 0 GFAERO COC(=O)[C@@H](CC(C)C)NC(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000182394820 552283099 /nfs/dbraw/zinc/28/30/99/552283099.db2.gz ATMJXLJSCHUECE-SWLSCSKDSA-N 1 0 385.302 2.804 10 0 GFAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCc2ccccc2Br)CC1 ZINC000184979551 552350126 /nfs/dbraw/zinc/35/01/26/552350126.db2.gz HGLIIECTRJTBIW-CQSZACIVSA-N 1 0 398.345 2.683 10 0 GFAERO COCC[N@H+](C)CCCN[C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186107227 552379558 /nfs/dbraw/zinc/37/95/58/552379558.db2.gz ONAVSJUSYOXTBO-GOSISDBHSA-N 1 0 393.329 2.886 10 0 GFAERO Brc1ccc([C@H]([NH2+][C@@H]2CCc3ncnn3C2)c2cncnc2)cc1 ZINC000186267153 552383431 /nfs/dbraw/zinc/38/34/31/552383431.db2.gz JAYZVRCDAOLTGA-WBVHZDCISA-N 1 0 385.269 2.525 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Br)c(C)nc1OC ZINC000186631684 552392803 /nfs/dbraw/zinc/39/28/03/552392803.db2.gz UYLPHZYMWXCRAT-CHWSQXEVSA-N 1 0 382.302 2.860 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cc(F)c(Br)cc1C ZINC000187091391 552406496 /nfs/dbraw/zinc/40/64/96/552406496.db2.gz BGAUFWSELABCOH-NSHDSACASA-N 1 0 388.281 2.682 10 0 GFAERO CC[C@H]1CN(C(=O)NCc2cc(Br)ccc2C)CC[N@@H+]1C[C@@H](C)O ZINC000187681131 552421934 /nfs/dbraw/zinc/42/19/34/552421934.db2.gz ARPZAOHSZJZAPQ-PBHICJAKSA-N 1 0 398.345 2.744 10 0 GFAERO CO[C@H]1C[C@H](c2nc(C)no2)N(C[C@@H](O)c2ccccc2Br)C1 ZINC000189352689 552469191 /nfs/dbraw/zinc/46/91/91/552469191.db2.gz ABOUUFXRRWEIQC-NILFDRSVSA-N 1 0 382.258 2.636 10 0 GFAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2cccc(Br)n2)C1 ZINC000190635020 552504203 /nfs/dbraw/zinc/50/42/03/552504203.db2.gz YSNNJJLTAFSWNF-OAHLLOKOSA-N 1 0 389.297 2.833 10 0 GFAERO CCNc1ncc(C(=O)N2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)s1 ZINC000190711848 552506462 /nfs/dbraw/zinc/50/64/62/552506462.db2.gz RTIZUJQLBHWKFV-CYBMUJFWSA-N 1 0 379.555 2.934 10 0 GFAERO COc1cc(Cl)c(S(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1OC ZINC000192830896 552975339 /nfs/dbraw/zinc/97/53/39/552975339.db2.gz XZTOJIGVBSJGEE-GFCCVEGCSA-N 1 0 378.922 2.612 10 0 GFAERO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193692766 553000260 /nfs/dbraw/zinc/00/02/60/553000260.db2.gz VSEUFGPQDKDPEC-ZFWWWQNUSA-N 1 0 380.286 2.792 10 0 GFAERO Cc1ccc(I)c(C(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000194602433 553025219 /nfs/dbraw/zinc/02/52/19/553025219.db2.gz DDJVGPIHMWAWSG-ZDUSSCGKSA-N 1 0 384.261 2.910 10 0 GFAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(I)c(Cl)c1 ZINC000226789819 553062204 /nfs/dbraw/zinc/06/22/04/553062204.db2.gz RSRIOFPZBOMBSN-SNVBAGLBSA-N 1 0 392.668 2.968 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000245635905 553094375 /nfs/dbraw/zinc/09/43/75/553094375.db2.gz GPHHTNJOAAYPCO-ZJUUUORDSA-N 1 0 395.269 2.585 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(Cc2coc(-c3ccc(Br)cc3)n2)C[C@@H]1C ZINC000246309527 553105662 /nfs/dbraw/zinc/10/56/62/553105662.db2.gz YCFXJYRESDOEIX-KBPBESRZSA-N 1 0 394.313 2.991 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C)c2ccc(Cl)s2)CC1=O ZINC000246524617 553109088 /nfs/dbraw/zinc/10/90/88/553109088.db2.gz WAEPFISWEQWXRY-MELADBBJSA-N 1 0 383.945 2.912 10 0 GFAERO CC[C@@H]1CN(C(=O)[C@H](C)c2ccc(Br)s2)CC[N@@H+]1C[C@H](C)O ZINC000246964175 553116443 /nfs/dbraw/zinc/11/64/43/553116443.db2.gz SXBINGOJQKBZDO-YNEHKIRRSA-N 1 0 389.359 2.918 10 0 GFAERO Cc1csc(CNC(=O)NC[C@@H](c2cccs2)N2CCO[C@@H](C)C2)n1 ZINC000247098862 553118870 /nfs/dbraw/zinc/11/88/70/553118870.db2.gz WDILXLCAOZPAAB-KBPBESRZSA-N 1 0 380.539 2.774 10 0 GFAERO CC[C@@H]1CN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC[N@@H+]1CCOC ZINC000247804683 553126055 /nfs/dbraw/zinc/12/60/55/553126055.db2.gz SGXHCLZBFRPOGV-HUUCEWRRSA-N 1 0 391.339 2.776 10 0 GFAERO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2nccs2)C1 ZINC000248641119 553132313 /nfs/dbraw/zinc/13/23/13/553132313.db2.gz CJPMAJKGQMSIQT-ZIAGYGMSSA-N 1 0 379.555 2.689 10 0 GFAERO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000248915442 553137450 /nfs/dbraw/zinc/13/74/50/553137450.db2.gz ZPOMKPUVYANLBR-MNOVXSKESA-N 1 0 386.279 2.636 10 0 GFAERO CC[C@@H]1CN(CCOc2cc(F)cc(Br)c2)CC[N@@H+]1C[C@H](C)O ZINC000249266690 553141628 /nfs/dbraw/zinc/14/16/28/553141628.db2.gz IWGWYQZOZWDZJB-XJKSGUPXSA-N 1 0 389.309 2.744 10 0 GFAERO CCN(C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000249762801 553146062 /nfs/dbraw/zinc/14/60/62/553146062.db2.gz HEWTYGWNRNDIMY-DYEKYZERSA-N 1 0 390.908 2.554 10 0 GFAERO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])ccc1Cl ZINC000261951038 553163315 /nfs/dbraw/zinc/16/33/15/553163315.db2.gz HIVDVUIHQNIKNX-TZMCWYRMSA-N 1 0 387.933 2.684 10 0 GFAERO [NH3+]CC1(C(=O)NCC2(c3cccc(Br)c3)CCC2)CCOCC1 ZINC000262052740 553165197 /nfs/dbraw/zinc/16/51/97/553165197.db2.gz ZVQLRIRZOUNEJG-UHFFFAOYSA-N 1 0 381.314 2.743 10 0 GFAERO COC(=O)c1cc(F)c2c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)C1)C[C@H]2[NH3+] ZINC000725259715 570306568 /nfs/dbraw/zinc/30/65/68/570306568.db2.gz IGBIKQPCTLLHBU-YJYMSZOUSA-N 1 0 380.416 2.774 10 0 GFAERO COC(=O)c1cc(C)c2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NC(=O)OC(C)(C)C ZINC000725260755 570310625 /nfs/dbraw/zinc/31/06/25/570310625.db2.gz VVZMMLOFEMZSAB-JLTOFOAXSA-N 1 0 376.453 2.862 10 0 GFAERO CCOC[C@H](O)CN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C(C)C ZINC000104987093 570911146 /nfs/dbraw/zinc/91/11/46/570911146.db2.gz CTTNVCVRZJAWLU-UONOGXRCSA-N 1 0 393.553 2.717 10 0 GFAERO CCCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000226278014 570935620 /nfs/dbraw/zinc/93/56/20/570935620.db2.gz KPFSWSIHTPODLI-UHFFFAOYSA-N 1 0 387.402 2.530 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000122201024 654731440 /nfs/dbraw/zinc/73/14/40/654731440.db2.gz LCRHNJGPQMRTLA-LLVKDONJSA-N 1 0 377.794 2.898 10 0 GFAERO O[C@@H](COc1cccc(Br)c1)CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000066534764 654905474 /nfs/dbraw/zinc/90/54/74/654905474.db2.gz VJPPGJMVWOWSGD-IAGOWNOFSA-N 1 0 383.330 2.749 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cc3c(c(Br)c2)OCO3)C1 ZINC000132382069 654936075 /nfs/dbraw/zinc/93/60/75/654936075.db2.gz HROOGJSHWBRGBB-RISCZKNCSA-N 1 0 398.301 2.706 10 0 GFAERO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000091323999 655008784 /nfs/dbraw/zinc/00/87/84/655008784.db2.gz KRJJKYXSFZEFTB-KWQFWETISA-N 1 0 397.722 2.517 10 0 GFAERO C[C@@H]1CN(CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)CCS1 ZINC000171606137 655152627 /nfs/dbraw/zinc/15/26/27/655152627.db2.gz HXGBMZRGYFOEJL-BDJLRTHQSA-N 1 0 398.326 2.611 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)CCCc2ccc(Br)s2)CCO1 ZINC000116784376 655253194 /nfs/dbraw/zinc/25/31/94/655253194.db2.gz YIDXLFPSGUZOQH-LBPRGKRZSA-N 1 0 375.332 2.622 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)CCCCOc2ccc(Br)cc2)CCO1 ZINC000116785033 655253228 /nfs/dbraw/zinc/25/32/28/655253228.db2.gz DOFPYJBBYWSYQO-QGZVFWFLSA-N 1 0 399.329 2.787 10 0 GFAERO Cc1cc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c2cc(Br)ccc2n1 ZINC000116793128 655253532 /nfs/dbraw/zinc/25/35/32/655253532.db2.gz PFHFCOZLHIXYFK-AWEZNQCLSA-N 1 0 392.297 2.708 10 0 GFAERO Cc1cc(Br)ccc1SCC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116796435 655253837 /nfs/dbraw/zinc/25/38/37/655253837.db2.gz CLXZKXCGZJLOPD-CQSZACIVSA-N 1 0 387.343 2.639 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc(Br)cnc1Cl ZINC000118660636 655280263 /nfs/dbraw/zinc/28/02/63/655280263.db2.gz RFDGNIZOQODSIG-NSHDSACASA-N 1 0 396.738 2.602 10 0 GFAERO COc1cc(/C=C/C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc(Br)c1O ZINC000183502823 655351662 /nfs/dbraw/zinc/35/16/62/655351662.db2.gz XMCYJENGSLMMLC-GJBLVYBDSA-N 1 0 395.297 2.873 10 0 GFAERO CC[C@H]([NH2+][C@@H](C)CS(=O)(=O)CC)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188687720 655381636 /nfs/dbraw/zinc/38/16/36/655381636.db2.gz YSTBPLXXFHKYQA-JYJNAYRXSA-N 1 0 376.563 2.967 10 0 GFAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000193582827 655411042 /nfs/dbraw/zinc/41/10/42/655411042.db2.gz VOGJBLYMLQTRCF-CJNGLKHVSA-N 1 0 384.929 2.683 10 0 GFAERO COc1cc(Br)c(S(=O)(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1Cl ZINC000237200917 655425768 /nfs/dbraw/zinc/42/57/68/655425768.db2.gz QOMUQPNYGNRWPP-GZMMTYOYSA-N 1 0 397.722 2.517 10 0 GFAERO COCCN1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC000246325429 655429817 /nfs/dbraw/zinc/42/98/17/655429817.db2.gz FSJIAQUMTIQGGG-MLGOLLRUSA-N 1 0 375.296 2.596 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cn1c(=O)oc2cc(F)c(Br)cc21 ZINC000248714343 655433087 /nfs/dbraw/zinc/43/30/87/655433087.db2.gz JTFZFFPCFRYQQS-MNOVXSKESA-N 1 0 384.249 2.622 10 0 GFAERO O=C(/C=C\c1ccc(Cl)s1)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000255138476 655437456 /nfs/dbraw/zinc/43/74/56/655437456.db2.gz LQFMDQKMLLWHET-IOBAAEILSA-N 1 0 376.909 2.950 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C\c1ccc(I)o1 ZINC000255343531 655438390 /nfs/dbraw/zinc/43/83/90/655438390.db2.gz DBMZWXHINOGAJU-LWSHCTJVSA-N 1 0 386.233 2.593 10 0 GFAERO COc1ccc(CC[NH2+][C@H]2CCc3c(c(C(=O)N4CCCCC4)nn3C)C2)cc1 ZINC000014745353 204540064 /nfs/dbraw/zinc/54/00/64/204540064.db2.gz YIRHIZJSYLVTOG-SFHVURJKSA-N 1 0 396.535 2.744 10 0 GFAERO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]CCOC(C)C)C2 ZINC000014753464 204542068 /nfs/dbraw/zinc/54/20/68/204542068.db2.gz QLGVQUQUYZGQFB-QGZVFWFLSA-N 1 0 376.545 2.647 10 0 GFAERO Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1)C2 ZINC000014753367 204542207 /nfs/dbraw/zinc/54/22/07/204542207.db2.gz JUCXUNUSFHDKDY-OAHLLOKOSA-N 1 0 388.462 2.972 10 0 GFAERO CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)CN1Cc1cccc(Cl)c1 ZINC000039542639 205042774 /nfs/dbraw/zinc/04/27/74/205042774.db2.gz NZBKIYGXADWCCZ-OALUTQOASA-N 1 0 375.875 2.958 10 0 GFAERO CC(=O)N1CCc2ccccc2[C@@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000065230761 205220930 /nfs/dbraw/zinc/22/09/30/205220930.db2.gz VCMHCGIAXWBQPU-HSZRJFAPSA-N 1 0 391.515 2.913 10 0 GFAERO CN1CC[C@@H]([N@H+](C)CCC(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)C1 ZINC000077303697 205359271 /nfs/dbraw/zinc/35/92/71/205359271.db2.gz BRQUHCNACAZWJT-QGZVFWFLSA-N 1 0 379.932 2.736 10 0 GFAERO C[C@@H](CNC(=O)c1cc2ncccn2n1)Oc1cccc(C[NH+]2CCCC2)c1 ZINC000299787565 206189534 /nfs/dbraw/zinc/18/95/34/206189534.db2.gz PEQMHWSUDYDZKJ-INIZCTEOSA-N 1 0 379.464 2.522 10 0 GFAERO CNC(=O)c1ccc([C@H]2CCCN2c2nc(CC[NH3+])nc3ccccc32)s1 ZINC000065504961 206225747 /nfs/dbraw/zinc/22/57/47/206225747.db2.gz PBDLKSGSYQNMMJ-OAHLLOKOSA-N 1 0 381.505 2.894 10 0 GFAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000049191466 551158053 /nfs/dbraw/zinc/15/80/53/551158053.db2.gz CXUMSZZNNWRHKF-PBHICJAKSA-N 1 0 398.345 2.526 10 0 GFAERO CC[C@H]1CN(C(=O)NCc2ccc(Br)cc2)CC[N@@H+]1CCOC ZINC000117493918 551214151 /nfs/dbraw/zinc/21/41/51/551214151.db2.gz GGJNWOLIRNBRTL-INIZCTEOSA-N 1 0 384.318 2.701 10 0 GFAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000121659394 551239076 /nfs/dbraw/zinc/23/90/76/551239076.db2.gz UMYOZHCHNSBNBA-GFCCVEGCSA-N 1 0 388.281 2.619 10 0 GFAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000136979617 551390397 /nfs/dbraw/zinc/39/03/97/551390397.db2.gz COIBGGBZCMKLMI-HOTGVXAUSA-N 1 0 386.334 2.758 10 0 GFAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2cc(Cl)ccc2Br)C[C@@H]1C ZINC000152834775 551440584 /nfs/dbraw/zinc/44/05/84/551440584.db2.gz HMIRFIGSLPFCPO-NWDGAFQWSA-N 1 0 389.721 2.559 10 0 GFAERO COCCN1CCN(C(=O)[C@@H](C)Cc2ccc(Br)cc2)C[C@H]1C ZINC000155556432 551502313 /nfs/dbraw/zinc/50/23/13/551502313.db2.gz QWFPPWVMNPLXPU-LSDHHAIUSA-N 1 0 383.330 2.807 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2Br)C1 ZINC000155561462 551502523 /nfs/dbraw/zinc/50/25/23/551502523.db2.gz SFWPEWUQLUPHLU-LLVKDONJSA-N 1 0 388.693 2.642 10 0 GFAERO C[NH+](C)C[C@@H](NC(=O)c1cncc(I)c1)c1ccccc1 ZINC000156341015 551520598 /nfs/dbraw/zinc/52/05/98/551520598.db2.gz JMXBXRSRIQNNGQ-OAHLLOKOSA-N 1 0 395.244 2.719 10 0 GFAERO C[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000159091598 551560683 /nfs/dbraw/zinc/56/06/83/551560683.db2.gz MXKGUIYHNSUCNR-ZIAGYGMSSA-N 1 0 381.519 2.905 10 0 GFAERO O[C@H](COc1cccc(Br)c1)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173880806 552095206 /nfs/dbraw/zinc/09/52/06/552095206.db2.gz KOUXWDWPUCMATF-AEFFLSMTSA-N 1 0 397.357 2.997 10 0 GFAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000174744271 552109274 /nfs/dbraw/zinc/10/92/74/552109274.db2.gz FAJJMFOVUORLKZ-LBPRGKRZSA-N 1 0 388.281 2.619 10 0 GFAERO C[C@@H](NC(=O)N(C)CCCN1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000182319372 552281035 /nfs/dbraw/zinc/28/10/35/552281035.db2.gz MIGBCVKCYMWJRP-OAHLLOKOSA-N 1 0 397.361 2.789 10 0 GFAERO COc1cc(Br)ccc1CCCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000182633077 552289479 /nfs/dbraw/zinc/28/94/79/552289479.db2.gz WGHAXXPPTUSDIP-OAHLLOKOSA-N 1 0 384.318 2.736 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ncc(Br)cc2Br)C1 ZINC000183546479 552312376 /nfs/dbraw/zinc/31/23/76/552312376.db2.gz RRFLSXDNSDVKJN-SNVBAGLBSA-N 1 0 391.107 2.821 10 0 GFAERO OCC[C@]1(C[NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)CCOC1 ZINC000186251332 552382772 /nfs/dbraw/zinc/38/27/72/552382772.db2.gz DAKCQDJAPVDCOJ-ZWKOTPCHSA-N 1 0 392.297 2.707 10 0 GFAERO COc1cc(Br)ccc1CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000187851575 552426788 /nfs/dbraw/zinc/42/67/88/552426788.db2.gz OEVYISVVVDOKJL-OAHLLOKOSA-N 1 0 382.302 2.837 10 0 GFAERO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1Cl ZINC000188222244 552439457 /nfs/dbraw/zinc/43/94/57/552439457.db2.gz LSSQPDWTYULMMX-GFCCVEGCSA-N 1 0 393.912 2.692 10 0 GFAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1c(F)cc(F)cc1Br ZINC000192293803 552558502 /nfs/dbraw/zinc/55/85/02/552558502.db2.gz MRFYSVJQSSKXCJ-NSHDSACASA-N 1 0 392.244 2.696 10 0 GFAERO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000237427948 553077693 /nfs/dbraw/zinc/07/76/93/553077693.db2.gz MFKZVKVGIDERSI-FRFSOERESA-N 1 0 380.330 2.782 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c(F)cccc2I)C1 ZINC000246065648 553101762 /nfs/dbraw/zinc/10/17/62/553101762.db2.gz XBETZSLKYAGRAA-ZWNOBZJWSA-N 1 0 390.240 2.889 10 0 GFAERO CC[C@@H]1CN(C(=O)CCc2ccccc2Br)CC[N@@H+]1C[C@H](C)O ZINC000246692697 553111582 /nfs/dbraw/zinc/11/15/82/553111582.db2.gz BOSBQMLDNBFGCA-GOEBONIOSA-N 1 0 383.330 2.685 10 0 GFAERO CC[C@@H]1CN(C(=O)Cc2csc(-c3cccs3)n2)CC[N@@H+]1C[C@H](C)O ZINC000246742666 553112912 /nfs/dbraw/zinc/11/29/12/553112912.db2.gz GHYWWYWLMXNNHG-DZGCQCFKSA-N 1 0 379.551 2.718 10 0 GFAERO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000246942473 553115786 /nfs/dbraw/zinc/11/57/86/553115786.db2.gz JQYIITOZWJAJRF-GVXVVHGQSA-N 1 0 393.336 2.678 10 0 GFAERO C[C@@H]1CN([C@H](CNC(=O)NCCc2nccs2)c2cccs2)CCO1 ZINC000247105715 553119116 /nfs/dbraw/zinc/11/91/16/553119116.db2.gz WMFNDRGFUANECZ-ZIAGYGMSSA-N 1 0 380.539 2.508 10 0 GFAERO CC[C@@H]1CN(CCC(=O)Nc2cccc(Br)c2)CC[N@@H+]1C[C@H](C)O ZINC000247191293 553119327 /nfs/dbraw/zinc/11/93/27/553119327.db2.gz STUBLMLULOTAFD-WMLDXEAASA-N 1 0 398.345 2.555 10 0 GFAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc(Br)c1 ZINC000247144279 553119358 /nfs/dbraw/zinc/11/93/58/553119358.db2.gz TXBWXEFXUJWCKA-DLBZAZTESA-N 1 0 394.313 2.858 10 0 GFAERO COCCN1CCN(C(=O)N[C@H](C)c2ccccc2Br)C[C@@H]1C ZINC000247208822 553119391 /nfs/dbraw/zinc/11/93/91/553119391.db2.gz UKTVJKJQHLEIJD-UONOGXRCSA-N 1 0 384.318 2.872 10 0 GFAERO CC[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000247539377 553123412 /nfs/dbraw/zinc/12/34/12/553123412.db2.gz CWHOOLXGSSEOGW-FVQBIDKESA-N 1 0 391.339 2.510 10 0 GFAERO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247556902 553124210 /nfs/dbraw/zinc/12/42/10/553124210.db2.gz ZHCRHQCXPFARCJ-CJNGLKHVSA-N 1 0 379.298 2.965 10 0 GFAERO OC[C@@H]1C[N@H+](C[C@H](O)COCc2ccccc2Cl)C[C@H]1c1ccsc1 ZINC000249572394 553144290 /nfs/dbraw/zinc/14/42/90/553144290.db2.gz OPGKEAFOUHFJQK-BZSNNMDCSA-N 1 0 381.925 2.987 10 0 GFAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000261791109 553159329 /nfs/dbraw/zinc/15/93/29/553159329.db2.gz QDVMGAJAFGDVJG-CZUORRHYSA-N 1 0 381.314 2.946 10 0 GFAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1cc2c(cc1Br)OCCO2 ZINC000261815127 553159644 /nfs/dbraw/zinc/15/96/44/553159644.db2.gz SEHDIEQHRBHASE-QJPTWQEYSA-N 1 0 383.286 2.773 10 0 GFAERO C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)Oc1ccc(Br)cc1 ZINC000261934787 553163052 /nfs/dbraw/zinc/16/30/52/553163052.db2.gz MCTMVVNHXZONAZ-BNEJOLLZSA-N 1 0 383.330 2.963 10 0 GFAERO COc1cc(I)c(Cl)cc1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000423662305 563362825 /nfs/dbraw/zinc/36/28/25/563362825.db2.gz HJWWMGROBKIETH-HQJQHLMTSA-N 1 0 394.640 2.515 10 0 GFAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000290107954 563698897 /nfs/dbraw/zinc/69/88/97/563698897.db2.gz KVLGAQPWUDMQAS-QPUJVOFHSA-N 1 0 376.092 2.968 10 0 GFAERO C[C@H](C1CCN(C(=O)c2cc(COc3ccccc3)[nH]n2)CC1)[NH+]1CCOCC1 ZINC000020999083 570286638 /nfs/dbraw/zinc/28/66/38/570286638.db2.gz QTXCGKTYZPBOFQ-QGZVFWFLSA-N 1 0 398.507 2.562 10 0 GFAERO Cc1nc(C(=O)NCCc2nc3ccccc3n2C)c(C)n1C1CC[NH+](C)CC1 ZINC000065257298 570755916 /nfs/dbraw/zinc/75/59/16/570755916.db2.gz MPRQHVAOOMOFPJ-UHFFFAOYSA-N 1 0 394.523 2.626 10 0 GFAERO CCCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N1CC[NH+](CC)CC1 ZINC000226277936 570935544 /nfs/dbraw/zinc/93/55/44/570935544.db2.gz ULTTWPZLLHDMST-UHFFFAOYSA-N 1 0 387.402 2.896 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)NCC(C)(C)c2ccccc2Br)CCO1 ZINC000131364771 654903913 /nfs/dbraw/zinc/90/39/13/654903913.db2.gz KCFSOQIQENHBOU-CQSZACIVSA-N 1 0 398.345 2.699 10 0 GFAERO CCOC(=O)C[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000158175529 655105253 /nfs/dbraw/zinc/10/52/53/655105253.db2.gz OKCGTAYWXJTTLL-DZGCQCFKSA-N 1 0 383.286 2.559 10 0 GFAERO C[C@@H](CNC(=O)N[C@@H](C)c1cccc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000173791951 655181464 /nfs/dbraw/zinc/18/14/64/655181464.db2.gz BKLAWBUNYCCNFI-GJZGRUSLSA-N 1 0 397.361 2.693 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCn1c(=S)[nH]nc1-c1cccs1 ZINC000113444713 655210525 /nfs/dbraw/zinc/21/05/25/655210525.db2.gz NJUCVQRFULTYCH-CHWSQXEVSA-N 1 0 377.539 2.754 10 0 GFAERO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177683848 655285810 /nfs/dbraw/zinc/28/58/10/655285810.db2.gz UHLSPLWZNFXVMR-NSHDSACASA-N 1 0 375.778 2.604 10 0 GFAERO Cn1nc(Br)cc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000192095535 655402431 /nfs/dbraw/zinc/40/24/31/655402431.db2.gz PRQYDYLTPNTAHX-HNNXBMFYSA-N 1 0 391.313 2.967 10 0 GFAERO COc1cc(Br)c(S(=O)(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1Cl ZINC000193454432 655410334 /nfs/dbraw/zinc/41/03/34/655410334.db2.gz YOOVPEGNSKPDCX-GZMMTYOYSA-N 1 0 397.722 2.530 10 0 GFAERO C[NH2+][C@H](C)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000261575167 655441226 /nfs/dbraw/zinc/44/12/26/655441226.db2.gz NBFLNNOGLAVNQB-ZCFIWIBFSA-N 1 0 376.103 2.642 10 0 GFAERO CCOC(=O)C[C@@H](NC(=O)CC[C@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000261818012 655442484 /nfs/dbraw/zinc/44/24/84/655442484.db2.gz HSEIBWNVSXSNGD-XJKSGUPXSA-N 1 0 397.313 2.949 10 0 GFAERO O=C(CCC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1)NCC[NH+]1CCCC1 ZINC000006750798 204200199 /nfs/dbraw/zinc/20/01/99/204200199.db2.gz HXHZTTNROJNCSA-UHFFFAOYSA-N 1 0 394.519 2.776 10 0 GFAERO COCCC[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)COc1ccc(OC)cc1 ZINC000036095220 205005699 /nfs/dbraw/zinc/00/56/99/205005699.db2.gz CWVNHBFJEVHRPT-IBGZPJMESA-N 1 0 389.492 2.982 10 0 GFAERO CC(C)Cn1c(CN2CC[NH2+]CC2)nc2cc(C(=O)N3CCCCC3)ccc21 ZINC000049455917 205126583 /nfs/dbraw/zinc/12/65/83/205126583.db2.gz IPUTWIZUVGEGHY-UHFFFAOYSA-N 1 0 383.540 2.724 10 0 GFAERO C[NH+]1CCC(NC(=O)[C@@H]2CCc3sc(C(=O)N4CCCCC4)cc3C2)CC1 ZINC000065273218 205225587 /nfs/dbraw/zinc/22/55/87/205225587.db2.gz CAPXWNOZIZPEOW-OAHLLOKOSA-N 1 0 389.565 2.690 10 0 GFAERO O=C1N[C@@](CCCc2ccccc2)(C2CC[NH2+]CC2)C(=O)N1Cc1ccccn1 ZINC000067740052 205258181 /nfs/dbraw/zinc/25/81/81/205258181.db2.gz UUAVODKYCOCDKG-QHCPKHFHSA-N 1 0 392.503 2.895 10 0 GFAERO COc1ccc(C)cc1NC(=O)C[NH2+]Cc1cn(CCC(N)=O)c2ccccc12 ZINC000067789872 205260552 /nfs/dbraw/zinc/26/05/52/205260552.db2.gz XPSPCWUPVAQLTN-UHFFFAOYSA-N 1 0 394.475 2.562 10 0 GFAERO CC(C)[C@@H]1CN(C(=O)Cc2ccc3c(c2)NC(=O)CO3)CCC[N@@H+]1CC1CC1 ZINC000071749794 205290192 /nfs/dbraw/zinc/29/01/92/205290192.db2.gz YDEIXBDTCAOCSV-IBGZPJMESA-N 1 0 385.508 2.529 10 0 GFAERO Cc1ccccc1CN1CCC([NH+]2CCC(C(=O)NCc3ncc[nH]3)CC2)CC1 ZINC000071774520 205296738 /nfs/dbraw/zinc/29/67/38/205296738.db2.gz CCGXYSZWJLRPBZ-UHFFFAOYSA-N 1 0 395.551 2.711 10 0 GFAERO COc1ccc(F)c(CN2CCOc3ccc([C@](C)(O)C[NH+](C)C)cc3C2)c1 ZINC000011815472 221127421 /nfs/dbraw/zinc/12/74/21/221127421.db2.gz HHTMRTJEFZHZNM-JOCHJYFZSA-N 1 0 388.483 2.998 10 0 GFAERO Cc1ccnc(N2CCC(C(=O)NCCC[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000065001695 136158550 /nfs/dbraw/zinc/15/85/50/136158550.db2.gz LLOZJDGVRXUMBG-UHFFFAOYSA-N 1 0 381.524 2.640 10 0 GFAERO C[C@@H](NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000049172780 551157911 /nfs/dbraw/zinc/15/79/11/551157911.db2.gz BQNDPMIBVPQZEU-CZUORRHYSA-N 1 0 384.318 2.656 10 0 GFAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000121839126 551243622 /nfs/dbraw/zinc/24/36/22/551243622.db2.gz DQCCLASOACTHRI-LBPRGKRZSA-N 1 0 388.281 2.619 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(Br)sc1C ZINC000122460807 551298296 /nfs/dbraw/zinc/29/82/96/551298296.db2.gz YXEZMFGPELLLBS-LLVKDONJSA-N 1 0 381.361 2.924 10 0 GFAERO CC(C)C[N@@H+](Cc1ccccc1Br)C[C@H](O)CN1CCCC1=O ZINC000122553594 551299829 /nfs/dbraw/zinc/29/98/29/551299829.db2.gz LKPCCFKNIRLKIP-INIZCTEOSA-N 1 0 383.330 2.890 10 0 GFAERO C[C@@H](Cc1cccc(Br)c1)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000139275888 551392103 /nfs/dbraw/zinc/39/21/03/551392103.db2.gz YXKWPQRJBVANQI-WMLDXEAASA-N 1 0 398.345 2.526 10 0 GFAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(O)c(Br)c1 ZINC000151571292 551416483 /nfs/dbraw/zinc/41/64/83/551416483.db2.gz IGHKVSOVVFENSP-INIZCTEOSA-N 1 0 377.282 2.944 10 0 GFAERO CCn1cnnc1[C@H]1CCC[N@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000152906234 551442371 /nfs/dbraw/zinc/44/23/71/551442371.db2.gz DCMCVXGOYDOSDZ-BBRMVZONSA-N 1 0 379.302 2.974 10 0 GFAERO C[C@H]1C[N@H+](Cc2cc(Br)cc3c2OCC3)C[C@@H]1N1CCOCC1 ZINC000154009985 551465485 /nfs/dbraw/zinc/46/54/85/551465485.db2.gz QWGRQYYYPIYDKE-GUYCJALGSA-N 1 0 381.314 2.537 10 0 GFAERO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000154756962 551482159 /nfs/dbraw/zinc/48/21/59/551482159.db2.gz FRELIDCBNKWEIN-CQSZACIVSA-N 1 0 396.329 2.933 10 0 GFAERO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000170946081 551643858 /nfs/dbraw/zinc/64/38/58/551643858.db2.gz BRPHDMGXVIDGRT-INIZCTEOSA-N 1 0 375.270 2.555 10 0 GFAERO O=C(CC[N@@H+]1CCC[C@@H](n2cncn2)C1)Nc1ccc(Br)cc1F ZINC000171701948 551661239 /nfs/dbraw/zinc/66/12/39/551661239.db2.gz RCXHDFSCZXYKFH-CYBMUJFWSA-N 1 0 396.264 2.845 10 0 GFAERO Ic1ccc2ncnc(N3CC[N@@H+]4CCCC[C@@H]4C3)c2c1 ZINC000172974345 551690913 /nfs/dbraw/zinc/69/09/13/551690913.db2.gz GFAAUKYNZQVICD-CYBMUJFWSA-N 1 0 394.260 2.909 10 0 GFAERO CC[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000174614110 552106998 /nfs/dbraw/zinc/10/69/98/552106998.db2.gz DQHMTRHKJDSORC-RHSMWYFYSA-N 1 0 395.341 2.784 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1c(=S)[nH]nc1-c1cccs1 ZINC000175025995 552114218 /nfs/dbraw/zinc/11/42/18/552114218.db2.gz KNTVSKPYWDJUNX-QWHCGFSZSA-N 1 0 377.539 2.754 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000175397118 552120878 /nfs/dbraw/zinc/12/08/78/552120878.db2.gz CMSGLOCGFYRGMC-GFCCVEGCSA-N 1 0 391.331 2.563 10 0 GFAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CCc2ccccc2Br)CC1 ZINC000176866994 552147847 /nfs/dbraw/zinc/14/78/47/552147847.db2.gz YMVFEDQOMVGCDL-OAHLLOKOSA-N 1 0 397.357 2.933 10 0 GFAERO C[C@@H]1C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C[C@@H]1N1CCOCC1 ZINC000177219249 552151850 /nfs/dbraw/zinc/15/18/50/552151850.db2.gz ILBAYXOPBCRIBL-CJNGLKHVSA-N 1 0 386.323 2.975 10 0 GFAERO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178071581 552163695 /nfs/dbraw/zinc/16/36/95/552163695.db2.gz OONGOWUWGLHAET-KGLIPLIRSA-N 1 0 387.307 2.941 10 0 GFAERO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000178821654 552176763 /nfs/dbraw/zinc/17/67/63/552176763.db2.gz KRFOJKFTGLMXIE-HOCLYGCPSA-N 1 0 380.330 2.654 10 0 GFAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1cc(F)c(Br)c(F)c1 ZINC000182510533 552286222 /nfs/dbraw/zinc/28/62/22/552286222.db2.gz PFFDQVDZVLRWSB-NSHDSACASA-N 1 0 392.244 2.696 10 0 GFAERO CCOC(=O)C1CCN(C(=O)C[NH2+][C@@H](C)c2cccc(Br)c2)CC1 ZINC000182574213 552287593 /nfs/dbraw/zinc/28/75/93/552287593.db2.gz ZTDCDJIUJFZNLP-ZDUSSCGKSA-N 1 0 397.313 2.901 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000183452689 552310080 /nfs/dbraw/zinc/31/00/80/552310080.db2.gz GAUDEOBPTJRIOD-JTQLQIEISA-N 1 0 377.819 2.726 10 0 GFAERO CC(C)COC[C@H](O)C[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186127164 552380076 /nfs/dbraw/zinc/38/00/76/552380076.db2.gz HXRHICZTCFGKBJ-MSOLQXFVSA-N 1 0 394.313 2.952 10 0 GFAERO CCO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)C12CCOCC2 ZINC000186289161 552383840 /nfs/dbraw/zinc/38/38/40/552383840.db2.gz GXMVMVSLOIILRR-IAGOWNOFSA-N 1 0 387.929 2.678 10 0 GFAERO Cc1cc(C2CC[NH+](C[C@@H](O)CN3CCCC3=O)CC2)ccc1Br ZINC000188197075 552438659 /nfs/dbraw/zinc/43/86/59/552438659.db2.gz QLMVIXBXXWHHJD-QGZVFWFLSA-N 1 0 395.341 2.920 10 0 GFAERO CC[C@H]1CN(C(=O)NCc2cccc(C)c2Br)CC[N@@H+]1C[C@@H](C)O ZINC000190506251 552498536 /nfs/dbraw/zinc/49/85/36/552498536.db2.gz TXYHZTZRTIOQIH-ZBFHGGJFSA-N 1 0 398.345 2.744 10 0 GFAERO CNc1snc(C)c1C(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190559582 552501224 /nfs/dbraw/zinc/50/12/24/552501224.db2.gz ULMPAXMQAFDSMR-ZDUSSCGKSA-N 1 0 379.555 2.852 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000190624220 552504086 /nfs/dbraw/zinc/50/40/86/552504086.db2.gz XOBTVRJKEMGVRX-RNCFNFMXSA-N 1 0 376.259 2.916 10 0 GFAERO CCC[C@@H]([NH3+])C(=O)NCCSCCOc1cccc(Br)c1 ZINC000236948022 553072842 /nfs/dbraw/zinc/07/28/42/553072842.db2.gz YJNPQZCKDUIXJX-CQSZACIVSA-N 1 0 375.332 2.805 10 0 GFAERO COc1cc(Br)c(S(=O)(=O)N2CCCC[C@H]2C[NH3+])cc1Cl ZINC000237198868 553076156 /nfs/dbraw/zinc/07/61/56/553076156.db2.gz PCFHMOCQHMUVRK-VIFPVBQESA-N 1 0 397.722 2.613 10 0 GFAERO Cn1cc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2cccc(Br)c2)cn1 ZINC000245858159 553098234 /nfs/dbraw/zinc/09/82/34/553098234.db2.gz PJBOIANJOBGGIQ-NVXWUHKLSA-N 1 0 380.286 2.759 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccccc1I ZINC000247029127 553117171 /nfs/dbraw/zinc/11/71/71/553117171.db2.gz UAKAVNBKVAHLHK-OLZOCXBDSA-N 1 0 384.261 2.990 10 0 GFAERO CC[C@H]1CN(C(=O)CCc2cccc(Br)c2)CC[N@@H+]1C[C@H](C)O ZINC000247060115 553117752 /nfs/dbraw/zinc/11/77/52/553117752.db2.gz ZATOLMFBABBLRF-YOEHRIQHSA-N 1 0 383.330 2.685 10 0 GFAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000247348614 553121663 /nfs/dbraw/zinc/12/16/63/553121663.db2.gz NXNKOFPEKDFGLF-SWLSCSKDSA-N 1 0 397.313 2.608 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(I)c1 ZINC000247399536 553122144 /nfs/dbraw/zinc/12/21/44/553122144.db2.gz XAMOXQOOZBGMTR-RISCZKNCSA-N 1 0 385.249 2.992 10 0 GFAERO CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(Br)cc2)CC[N@@H+]1C[C@H](C)O ZINC000248460896 553129825 /nfs/dbraw/zinc/12/98/25/553129825.db2.gz TXWMRIHNHFSJGC-GRDNDAEWSA-N 1 0 398.345 2.997 10 0 GFAERO CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccccc2Br)CC[N@@H+]1C[C@H](C)O ZINC000248447806 553130043 /nfs/dbraw/zinc/13/00/43/553130043.db2.gz GYUZSGRJTIAHLZ-SOUVJXGZSA-N 1 0 398.345 2.997 10 0 GFAERO CC[C@H]1CN(CCOc2cc(F)cc(Br)c2)CC[N@@H+]1C[C@H](C)O ZINC000249266686 553141887 /nfs/dbraw/zinc/14/18/87/553141887.db2.gz IWGWYQZOZWDZJB-BBRMVZONSA-N 1 0 389.309 2.744 10 0 GFAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000262078860 553165308 /nfs/dbraw/zinc/16/53/08/553165308.db2.gz QHHZJZQAERPNKV-SWKMLJDHSA-N 1 0 378.416 2.611 10 0 GFAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(Oc2cccc(Br)c2)cc1 ZINC000262313548 553168437 /nfs/dbraw/zinc/16/84/37/553168437.db2.gz QRPNRECJWIMHSK-DYVFJYSZSA-N 1 0 391.265 2.552 10 0 GFAERO COc1cc(I)c(Cl)cc1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000423662306 563362909 /nfs/dbraw/zinc/36/29/09/563362909.db2.gz HJWWMGROBKIETH-RDDDGLTNSA-N 1 0 394.640 2.515 10 0 GFAERO Cc1ccc(I)cc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000593908953 565367474 /nfs/dbraw/zinc/36/74/74/565367474.db2.gz CEIGSGSLVNBFJL-NXEZZACHSA-N 1 0 398.166 2.936 10 0 GFAERO C[C@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@@H]1C[NH3+] ZINC000602592238 565856596 /nfs/dbraw/zinc/85/65/96/565856596.db2.gz IEPFKSXDSPXDKG-IUCAKERBSA-N 1 0 378.641 2.611 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000041605194 654627859 /nfs/dbraw/zinc/62/78/59/654627859.db2.gz PLMPZYQOPDADAE-JTQLQIEISA-N 1 0 390.709 2.888 10 0 GFAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000122328490 654734175 /nfs/dbraw/zinc/73/41/75/654734175.db2.gz JCMMWYDDERWSCT-CQSZACIVSA-N 1 0 394.317 2.736 10 0 GFAERO CCCC[N@H+](C[C@H](O)COCc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066544162 654905484 /nfs/dbraw/zinc/90/54/84/654905484.db2.gz DYWIURFFJKWHJX-MSOLQXFVSA-N 1 0 389.945 2.507 10 0 GFAERO COc1ccc(Br)cc1CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105209187 655089477 /nfs/dbraw/zinc/08/94/77/655089477.db2.gz XYOLSICJCQGHRT-HNNXBMFYSA-N 1 0 382.302 2.837 10 0 GFAERO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106176289 655104454 /nfs/dbraw/zinc/10/44/54/655104454.db2.gz MCYZHYJNKYAHFF-KBPBESRZSA-N 1 0 392.301 2.780 10 0 GFAERO C[C@H]1CN(CN2C(=O)C[C@@](C)(c3ccc(Br)cc3)C2=O)CCS1 ZINC000171604952 655152570 /nfs/dbraw/zinc/15/25/70/655152570.db2.gz DMRBTSVWNTWGBS-SJCJKPOMSA-N 1 0 397.338 2.861 10 0 GFAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Cc2ccc(Br)cc2)CC1 ZINC000176879085 655258744 /nfs/dbraw/zinc/25/87/44/655258744.db2.gz TUBUVAVWRMIOBQ-CQSZACIVSA-N 1 0 383.330 2.543 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(I)c(F)c1 ZINC000177043315 655265970 /nfs/dbraw/zinc/26/59/70/655265970.db2.gz YHSRMKSQSNQOER-LBPRGKRZSA-N 1 0 390.240 2.987 10 0 GFAERO C[NH+](C)[C@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000117786528 655268127 /nfs/dbraw/zinc/26/81/27/655268127.db2.gz WTKKLWTULCMYIR-ZDUSSCGKSA-N 1 0 381.249 2.550 10 0 GFAERO CC(C)[N@H+]1C[C@H](NC(=O)Cc2ccccc2I)[C@@H](C)C1 ZINC000119461445 655304486 /nfs/dbraw/zinc/30/44/86/655304486.db2.gz LMGIQQOTTFTYBA-WFASDCNBSA-N 1 0 386.277 2.679 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000180077620 655321625 /nfs/dbraw/zinc/32/16/25/655321625.db2.gz QDCYQOAFXFRLJM-LBPRGKRZSA-N 1 0 375.878 2.661 10 0 GFAERO CC[C@H]1CN(Cc2cc(Br)c(OC)s2)CC[N@@H+]1C[C@@H](C)O ZINC000120700716 655342506 /nfs/dbraw/zinc/34/25/06/655342506.db2.gz QWUPJYUIPFQHPL-NEPJUHHUSA-N 1 0 377.348 2.796 10 0 GFAERO C[NH2+][C@H](C)CNC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000261854185 655442671 /nfs/dbraw/zinc/44/26/71/655442671.db2.gz XPLQAURILOGFIY-LLVKDONJSA-N 1 0 394.269 2.561 10 0 GFAERO Cc1cccc(C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)c1I ZINC000380761723 677405944 /nfs/dbraw/zinc/40/59/44/677405944.db2.gz PNLCFZBKLXXEQZ-QWHCGFSZSA-N 1 0 384.261 2.623 10 0 GFAERO Cc1c(C[NH2+]CCC(=O)Nc2ccccc2F)c2ccccc2n1CC(N)=O ZINC000055370319 205147799 /nfs/dbraw/zinc/14/77/99/205147799.db2.gz RZVIBXCIJJHEOP-UHFFFAOYSA-N 1 0 382.439 2.693 10 0 GFAERO C[NH+]1CCC(NC(=O)[C@H]2CCc3sc(C(=O)N4CCCCC4)cc3C2)CC1 ZINC000065273219 205225975 /nfs/dbraw/zinc/22/59/75/205225975.db2.gz CAPXWNOZIZPEOW-HNNXBMFYSA-N 1 0 389.565 2.690 10 0 GFAERO CCC(=O)N1CCc2c1cccc2C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000065209957 205220001 /nfs/dbraw/zinc/22/00/01/205220001.db2.gz PLKSNYUCBDIPFP-UHFFFAOYSA-N 1 0 377.488 2.774 10 0 GFAERO Cc1c(-c2cc(C(=O)N3CCC[N@H+](CC4CC4)[C@H](C(C)C)C3)[nH]n2)cnn1C ZINC000071759704 205293905 /nfs/dbraw/zinc/29/39/05/205293905.db2.gz YETFJDGIIAPYMD-FQEVSTJZSA-N 1 0 384.528 2.701 10 0 GFAERO O=C(CCCn1cncn1)N[C@H]1CCCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000082086664 205385468 /nfs/dbraw/zinc/38/54/68/205385468.db2.gz ZPJGWDXXJMVZLM-SFHVURJKSA-N 1 0 375.904 2.883 10 0 GFAERO C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000129242446 551355085 /nfs/dbraw/zinc/35/50/85/551355085.db2.gz BUOCFPGGUVTLBN-RYUDHWBXSA-N 1 0 381.885 2.665 10 0 GFAERO O=C(c1c(F)cccc1I)N1CCN2CCCC[C@H]2C1 ZINC000129829035 551360178 /nfs/dbraw/zinc/36/01/78/551360178.db2.gz LDZHKYQXAZCLPN-NSHDSACASA-N 1 0 388.224 2.741 10 0 GFAERO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)ccc1Cl ZINC000150702242 551400033 /nfs/dbraw/zinc/40/00/33/551400033.db2.gz MLWBEECAZLBUQR-QWHCGFSZSA-N 1 0 387.933 2.827 10 0 GFAERO Cc1cc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)ccc1Br ZINC000150775831 551401213 /nfs/dbraw/zinc/40/12/13/551401213.db2.gz WJJQAJMOORKPBD-WFASDCNBSA-N 1 0 382.302 2.541 10 0 GFAERO CC[C@H]1CN(C(=O)Nc2ccc(C)nc2Br)CC[N@@H+]1CCOC ZINC000151432763 551413397 /nfs/dbraw/zinc/41/33/97/551413397.db2.gz MWJWVGIKZOBSHP-ZDUSSCGKSA-N 1 0 385.306 2.727 10 0 GFAERO O=C(CN1CC[C@H](Oc2cccnc2)C1)Nc1ccc(Br)cc1 ZINC000152581327 551436062 /nfs/dbraw/zinc/43/60/62/551436062.db2.gz QDHFXLHJFVCQET-INIZCTEOSA-N 1 0 376.254 2.936 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(F)c(I)c1 ZINC000154812454 551483322 /nfs/dbraw/zinc/48/33/22/551483322.db2.gz KPOGUQBJKIBHOD-ZYHUDNBSSA-N 1 0 388.224 2.739 10 0 GFAERO CCCC[NH+]1CCC(NC(=O)Nc2cc(Br)c(=O)n(C)c2)CC1 ZINC000156200186 551517018 /nfs/dbraw/zinc/51/70/18/551517018.db2.gz MPHQLYPVNGDNFD-UHFFFAOYSA-N 1 0 385.306 2.534 10 0 GFAERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2cc(Br)c(=O)n(C)c2)C1 ZINC000159013804 551559504 /nfs/dbraw/zinc/55/95/04/551559504.db2.gz USAYQIJHHBCCIM-CYBMUJFWSA-N 1 0 399.333 2.637 10 0 GFAERO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000159230610 551562516 /nfs/dbraw/zinc/56/25/16/551562516.db2.gz FNHQDKRECZOPMO-SFHVURJKSA-N 1 0 389.293 2.598 10 0 GFAERO Cc1c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cnn1-c1cccc(Br)c1 ZINC000171712617 551661274 /nfs/dbraw/zinc/66/12/74/551661274.db2.gz HTEQQCRBLASQET-MRXNPFEDSA-N 1 0 389.297 2.863 10 0 GFAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)C[C@H]1C ZINC000173675662 552090704 /nfs/dbraw/zinc/09/07/04/552090704.db2.gz JVUICZCRSHURDQ-ZIAGYGMSSA-N 1 0 394.313 2.991 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000175022635 552113966 /nfs/dbraw/zinc/11/39/66/552113966.db2.gz ITDHTGADEVXSNM-CHWSQXEVSA-N 1 0 381.270 2.877 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc(OC)ccc1Br ZINC000175400036 552120793 /nfs/dbraw/zinc/12/07/93/552120793.db2.gz DSIPUKDPBVJXGR-LBPRGKRZSA-N 1 0 391.331 2.563 10 0 GFAERO C[C@H]1C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C[C@@H]1N1CCOCC1 ZINC000177219270 552151628 /nfs/dbraw/zinc/15/16/28/552151628.db2.gz ILBAYXOPBCRIBL-BBRMVZONSA-N 1 0 386.323 2.975 10 0 GFAERO O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177698654 552157108 /nfs/dbraw/zinc/15/71/08/552157108.db2.gz CYIVLIOXKGGMAP-LLVKDONJSA-N 1 0 375.778 2.604 10 0 GFAERO Cc1nc(CN2CCCN(Cc3cc(O)ccc3Br)CC2)no1 ZINC000179212923 552187408 /nfs/dbraw/zinc/18/74/08/552187408.db2.gz OTCGCOARYZKDQY-UHFFFAOYSA-N 1 0 381.274 2.554 10 0 GFAERO O=S(=O)(c1c(Cl)cc(F)cc1Br)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179326118 552189927 /nfs/dbraw/zinc/18/99/27/552189927.db2.gz CHQNPSOUVQTWEP-SNVBAGLBSA-N 1 0 397.697 2.710 10 0 GFAERO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179410530 552192273 /nfs/dbraw/zinc/19/22/73/552192273.db2.gz RXWIMXBCEDIKHZ-MRXNPFEDSA-N 1 0 389.297 2.863 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2Br)CCO1 ZINC000181239511 552251104 /nfs/dbraw/zinc/25/11/04/552251104.db2.gz YNGSQIWWPZVRMK-LLVKDONJSA-N 1 0 376.682 2.897 10 0 GFAERO CC[C@@H]1CN(Cc2nc3cc(Br)ccc3[nH]2)CC[N@@H+]1CCOC ZINC000184967437 552349614 /nfs/dbraw/zinc/34/96/14/552349614.db2.gz CATNGWFDUXQLOR-CQSZACIVSA-N 1 0 381.318 2.868 10 0 GFAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C(N)=O)c2ccc(Br)cc2)C12CCOCC2 ZINC000185004339 552350990 /nfs/dbraw/zinc/35/09/90/552350990.db2.gz SUUFJQHJMKAUJB-OAGGEKHMSA-N 1 0 397.313 2.539 10 0 GFAERO C[C@H](C[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1)N1CCOCC1 ZINC000186096026 552378913 /nfs/dbraw/zinc/37/89/13/552378913.db2.gz XBUSANQGLRXKOH-KDOFPFPSSA-N 1 0 391.313 2.639 10 0 GFAERO CCO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)C12CCOCC2 ZINC000186287063 552383739 /nfs/dbraw/zinc/38/37/39/552383739.db2.gz XKKCPMXFRIMJMJ-JKSUJKDBSA-N 1 0 397.313 2.951 10 0 GFAERO COCC[N@@H+]1CCN(CCOc2cc(F)cc(Br)c2)C[C@@H]1C ZINC000188956382 552459146 /nfs/dbraw/zinc/45/91/46/552459146.db2.gz DMIKURMLCGCYKP-ZDUSSCGKSA-N 1 0 375.282 2.620 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000191127835 552519791 /nfs/dbraw/zinc/51/97/91/552519791.db2.gz CUIJQAYELLCJRL-VIFPVBQESA-N 1 0 392.244 2.512 10 0 GFAERO CN1CCO[C@H](C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000191529257 552530729 /nfs/dbraw/zinc/53/07/29/552530729.db2.gz YFVGLGLDRJGCIK-QZTJIDSGSA-N 1 0 383.330 2.837 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cc(Br)c(F)cc1C ZINC000191925217 552542516 /nfs/dbraw/zinc/54/25/16/552542516.db2.gz BPUIMWZZNDHGNO-NSHDSACASA-N 1 0 388.281 2.682 10 0 GFAERO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000192000786 552545792 /nfs/dbraw/zinc/54/57/92/552545792.db2.gz OTNASMZTJZLASN-OZVIIMIRSA-N 1 0 375.296 2.594 10 0 GFAERO CC[C@H](O)C[NH+]1CCN([C@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)CC1 ZINC000192045240 552547217 /nfs/dbraw/zinc/54/72/17/552547217.db2.gz MIUYLDQYJGTXMQ-BBRMVZONSA-N 1 0 375.296 2.596 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2ccc(I)cc2)C1 ZINC000192055787 552548311 /nfs/dbraw/zinc/54/83/11/552548311.db2.gz JRGBEXAWBDDFRH-DOMZBBRYSA-N 1 0 386.277 2.679 10 0 GFAERO O=C1[C@H]([NH2+][C@H](CO)c2ccccc2)CCN1c1cccc(Br)c1 ZINC000192075756 552549793 /nfs/dbraw/zinc/54/97/93/552549793.db2.gz FWSDYXOCQCAMFQ-IAGOWNOFSA-N 1 0 375.266 2.878 10 0 GFAERO Cc1ccc([C@@H](CNC(=O)N2CCSC[C@@H](C)C2)N2CCOCC2)s1 ZINC000192385606 552561465 /nfs/dbraw/zinc/56/14/65/552561465.db2.gz PEZRHYRVRXXFDX-GOEBONIOSA-N 1 0 383.583 2.824 10 0 GFAERO COc1cc(Cl)c(S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1OC ZINC000192830887 552975330 /nfs/dbraw/zinc/97/53/30/552975330.db2.gz XZTOJIGVBSJGEE-LBPRGKRZSA-N 1 0 378.922 2.612 10 0 GFAERO O[C@@H](COc1cccc(Br)c1)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246210634 553104586 /nfs/dbraw/zinc/10/45/86/553104586.db2.gz OVYMGNNANJXEBC-DOTOQJQBSA-N 1 0 383.330 2.607 10 0 GFAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000247060681 553117948 /nfs/dbraw/zinc/11/79/48/553117948.db2.gz IOZNYKSYCZXTAP-XHDPSFHLSA-N 1 0 387.311 2.960 10 0 GFAERO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247609246 553124053 /nfs/dbraw/zinc/12/40/53/553124053.db2.gz MCYZHYJNKYAHFF-UONOGXRCSA-N 1 0 392.301 2.780 10 0 GFAERO C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3cccc(Br)c3)CC[C@@H]21 ZINC000248034553 553127084 /nfs/dbraw/zinc/12/70/84/553127084.db2.gz REZAPSXVJFPVCJ-KYJSFNMBSA-N 1 0 383.330 2.605 10 0 GFAERO CN1CCO[C@@H](C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000248888393 553136463 /nfs/dbraw/zinc/13/64/63/553136463.db2.gz YFVGLGLDRJGCIK-ROUUACIJSA-N 1 0 383.330 2.837 10 0 GFAERO [NH3+]C1(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)CCOCC1 ZINC000261859745 553161190 /nfs/dbraw/zinc/16/11/90/553161190.db2.gz NBFKWZYUMNTDSZ-AWEZNQCLSA-N 1 0 377.243 2.540 10 0 GFAERO COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc(Br)c1OC ZINC000262019131 553164861 /nfs/dbraw/zinc/16/48/61/553164861.db2.gz WJQKVCYFWXJAAG-FVQBIDKESA-N 1 0 399.329 2.713 10 0 GFAERO COc1c(Br)cccc1CN1CCC[C@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000263486022 553188747 /nfs/dbraw/zinc/18/87/47/553188747.db2.gz HKTJCYZXALBMDO-AWEZNQCLSA-N 1 0 385.302 2.829 10 0 GFAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000282530359 563414412 /nfs/dbraw/zinc/41/44/12/563414412.db2.gz YZUAWTBGVQQKAB-UFBFGSQYSA-N 1 0 376.092 2.968 10 0 GFAERO COc1cc(-c2cnnc(N3CCC([NH+]4CCCC4)CC3)n2)cc(OC)c1OC ZINC000012835077 570264644 /nfs/dbraw/zinc/26/46/44/570264644.db2.gz SUNVXSJGQJSHPQ-UHFFFAOYSA-N 1 0 399.495 2.629 10 0 GFAERO CCOC(=O)c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NC(=O)OC(C)(C)C ZINC000725259704 570306138 /nfs/dbraw/zinc/30/61/38/570306138.db2.gz IFCURWONLDMBDV-QRWLVFNGSA-N 1 0 376.453 2.944 10 0 GFAERO COC(=O)c1cc(C)c2c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)C1)C[C@H]2[NH3+] ZINC000725259834 570306959 /nfs/dbraw/zinc/30/69/59/570306959.db2.gz KAISFNQBSCKUCT-JLTOFOAXSA-N 1 0 376.453 2.944 10 0 GFAERO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000046947278 654688236 /nfs/dbraw/zinc/68/82/36/654688236.db2.gz MZBFNBAVOPDCPW-UONOGXRCSA-N 1 0 388.339 2.903 10 0 GFAERO C[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc(Br)c1 ZINC000129214340 654860795 /nfs/dbraw/zinc/86/07/95/654860795.db2.gz IYDHJFNEOAGNKU-STQMWFEESA-N 1 0 375.332 2.771 10 0 GFAERO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106176345 655104405 /nfs/dbraw/zinc/10/44/05/655104405.db2.gz IYMIEGYTZKEQSM-AWEZNQCLSA-N 1 0 392.301 2.700 10 0 GFAERO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106174383 655104466 /nfs/dbraw/zinc/10/44/66/655104466.db2.gz HVSGRTFLECPYML-KBPBESRZSA-N 1 0 392.301 2.780 10 0 GFAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Br)cc1)CC2 ZINC000112550885 655193214 /nfs/dbraw/zinc/19/32/14/655193214.db2.gz QAGKKYQGOPUYMN-SMDDNHRTSA-N 1 0 392.301 2.535 10 0 GFAERO CC[C@H]1CN(C(=O)CCc2ccc(Br)cc2)CC[N@@H+]1CCOC ZINC000176419579 655244889 /nfs/dbraw/zinc/24/48/89/655244889.db2.gz JKOLVVVVHJSQEC-KRWDZBQOSA-N 1 0 383.330 2.951 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)CCSc2ccc(Br)cc2)CCO1 ZINC000116786912 655253641 /nfs/dbraw/zinc/25/36/41/655253641.db2.gz ZBMCERFFHOJRPX-AWEZNQCLSA-N 1 0 387.343 2.720 10 0 GFAERO Cc1c2cc(Br)ccc2oc1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116794143 655253892 /nfs/dbraw/zinc/25/38/92/655253892.db2.gz PHBUZZFZVRQAMN-CYBMUJFWSA-N 1 0 381.270 2.906 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)NCC(C)(C)c2cccc(Br)c2)CCO1 ZINC000117043016 655258730 /nfs/dbraw/zinc/25/87/30/655258730.db2.gz KTRXJINGRHOQNA-MRXNPFEDSA-N 1 0 398.345 2.699 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1I ZINC000177085544 655267660 /nfs/dbraw/zinc/26/76/60/655267660.db2.gz BYCINPJCTRGNHQ-VXGBXAGGSA-N 1 0 385.249 2.992 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(C)cc1Br ZINC000118670340 655280429 /nfs/dbraw/zinc/28/04/29/655280429.db2.gz FYWCCZBKYWNOKC-CYBMUJFWSA-N 1 0 375.332 2.862 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(Br)ccc1C ZINC000118670287 655280498 /nfs/dbraw/zinc/28/04/98/655280498.db2.gz NSMCCBCQSHODBG-CQSZACIVSA-N 1 0 375.332 2.862 10 0 GFAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NNc1ccc(Br)cn1 ZINC000181316525 655335011 /nfs/dbraw/zinc/33/50/11/655335011.db2.gz JBHVEUZYRVTAMI-ZDUSSCGKSA-N 1 0 392.301 2.991 10 0 GFAERO COc1cc(Br)c(S(=O)(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1Cl ZINC000193454457 655410433 /nfs/dbraw/zinc/41/04/33/655410433.db2.gz YOOVPEGNSKPDCX-KWQFWETISA-N 1 0 397.722 2.530 10 0 GFAERO Cc1c(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cnn1-c1ccc(Br)cc1 ZINC000193493782 655410600 /nfs/dbraw/zinc/41/06/00/655410600.db2.gz YCAVJEAWSFZTLB-BDJLRTHQSA-N 1 0 377.286 2.814 10 0 GFAERO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1ccc(Cn2cc(Br)cn2)cc1 ZINC000222539617 655422127 /nfs/dbraw/zinc/42/21/27/655422127.db2.gz RHOWBHFCVKBUTK-QGZVFWFLSA-N 1 0 389.297 2.518 10 0 GFAERO Cc1c(C(=O)N[C@H](C)c2cccc(Br)c2)nnn1C1CC[NH2+]CC1 ZINC000237372383 655426104 /nfs/dbraw/zinc/42/61/04/655426104.db2.gz VEGCVIKFKDQRDG-LLVKDONJSA-N 1 0 392.301 2.765 10 0 GFAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)C1 ZINC000247081263 655431157 /nfs/dbraw/zinc/43/11/57/655431157.db2.gz OXFAVJRKAABJKU-TZMCWYRMSA-N 1 0 376.469 2.826 10 0 GFAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000248880337 655433566 /nfs/dbraw/zinc/43/35/66/655433566.db2.gz SFLFGUNYERNYBU-OFERSUALSA-N 1 0 387.343 2.594 10 0 GFAERO CN(C)S(=O)(=O)Nc1ccc(N2CCC([NH2+]Cc3ccsc3)CC2)cc1 ZINC000012151982 204376508 /nfs/dbraw/zinc/37/65/08/204376508.db2.gz OZPMHUVECLWFGX-UHFFFAOYSA-N 1 0 394.566 2.725 10 0 GFAERO CCN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3ccncc3)CC2)C1=O ZINC000014754736 204541865 /nfs/dbraw/zinc/54/18/65/204541865.db2.gz RSADMUUXNKLWJJ-UHFFFAOYSA-N 1 0 392.503 2.943 10 0 GFAERO CN1Cc2ccccc2C[C@@H]1C[NH2+]Cc1cn(CCC(N)=O)c2ccccc12 ZINC000055370404 205147844 /nfs/dbraw/zinc/14/78/44/205147844.db2.gz DCROZSXVXITGNP-HXUWFJFHSA-N 1 0 376.504 2.663 10 0 GFAERO CN(C)C(=O)c1cc2c(s1)CC[C@H](C(=O)N1CC[NH+](C3CCCC3)CC1)C2 ZINC000065273198 205225528 /nfs/dbraw/zinc/22/55/28/205225528.db2.gz YINPJAWBPBWKQR-HNNXBMFYSA-N 1 0 389.565 2.642 10 0 GFAERO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C1CCN(c2ccccc2Cl)CC1 ZINC000067432837 205246903 /nfs/dbraw/zinc/24/69/03/205246903.db2.gz RNBPTQCNTYWYSA-BEFAXECRSA-N 1 0 378.948 2.579 10 0 GFAERO CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)CN1Cc1ccccc1Cl ZINC000299780738 206190315 /nfs/dbraw/zinc/19/03/15/206190315.db2.gz CLHZOMIMLDHDHS-HKUYNNGSSA-N 1 0 375.875 2.958 10 0 GFAERO O=C(NCCc1ccccn1)c1ccc(N2CC[NH2+][C@@H](c3ccccc3)C2)nc1 ZINC000065256101 136162063 /nfs/dbraw/zinc/16/20/63/136162063.db2.gz FTXAWGSMNLSFDE-OAQYLSRUSA-N 1 0 387.487 2.600 10 0 GFAERO CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066391621 551187125 /nfs/dbraw/zinc/18/71/25/551187125.db2.gz HEWTYGWNRNDIMY-SGMGOOAPSA-N 1 0 390.908 2.554 10 0 GFAERO Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000150798707 551401581 /nfs/dbraw/zinc/40/15/81/551401581.db2.gz ADZCIWQJERSXOW-XHDPSFHLSA-N 1 0 382.302 2.541 10 0 GFAERO C[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(I)cc1 ZINC000151328931 551411583 /nfs/dbraw/zinc/41/15/83/551411583.db2.gz WHRWLXVHXPBQGQ-BBRMVZONSA-N 1 0 388.293 2.789 10 0 GFAERO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000172120080 551670822 /nfs/dbraw/zinc/67/08/22/551670822.db2.gz CYIGQDVMIRXKQE-AWEZNQCLSA-N 1 0 393.260 2.694 10 0 GFAERO C[C@@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000175754213 552127989 /nfs/dbraw/zinc/12/79/89/552127989.db2.gz NLKHVSQNWYBBQY-HUUCEWRRSA-N 1 0 396.329 2.874 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000176970870 552148451 /nfs/dbraw/zinc/14/84/51/552148451.db2.gz AMCVZSFKMUXYKF-CYBMUJFWSA-N 1 0 383.286 2.777 10 0 GFAERO C[C@H]([NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000183029210 552298425 /nfs/dbraw/zinc/29/84/25/552298425.db2.gz OJOYPEPHEPQLKH-UONOGXRCSA-N 1 0 398.575 2.676 10 0 GFAERO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000183587955 552313967 /nfs/dbraw/zinc/31/39/67/552313967.db2.gz OYAQYJWGEJYFEU-OZVIIMIRSA-N 1 0 375.296 2.594 10 0 GFAERO CNC(=O)[C@H]([NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1)C(C)C ZINC000183645816 552315945 /nfs/dbraw/zinc/31/59/45/552315945.db2.gz CFCOQOKLMXUFLB-OAHLLOKOSA-N 1 0 377.286 2.766 10 0 GFAERO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C)c1ccccc1Br ZINC000185460013 552363918 /nfs/dbraw/zinc/36/39/18/552363918.db2.gz HZQHUCAVQJQGDR-CABCVRRESA-N 1 0 397.361 2.835 10 0 GFAERO CNC(=O)C(C)(C)C[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186307923 552384853 /nfs/dbraw/zinc/38/48/53/552384853.db2.gz FAPSUEWDJFCZEX-HNNXBMFYSA-N 1 0 377.286 2.690 10 0 GFAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000189463759 552471953 /nfs/dbraw/zinc/47/19/53/552471953.db2.gz URJXZHSRMMNEGN-LLVKDONJSA-N 1 0 378.885 2.565 10 0 GFAERO C[C@@H](C[N@H+](C)C[C@H](O)CN1CCCC1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000190362832 552493771 /nfs/dbraw/zinc/49/37/71/552493771.db2.gz ATUPIDJKKIDMAR-STQMWFEESA-N 1 0 375.296 2.676 10 0 GFAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)CSCc2cscn2)C1 ZINC000190620793 552503615 /nfs/dbraw/zinc/50/36/15/552503615.db2.gz CUJMYUGJKWZTMH-INIZCTEOSA-N 1 0 376.551 2.752 10 0 GFAERO O=C1[C@@H]([NH2+][C@@H](CO)c2ccccc2)CCN1c1cccc(Br)c1 ZINC000192075774 552549782 /nfs/dbraw/zinc/54/97/82/552549782.db2.gz FWSDYXOCQCAMFQ-IRXDYDNUSA-N 1 0 375.266 2.878 10 0 GFAERO C[C@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000192655699 552568697 /nfs/dbraw/zinc/56/86/97/552568697.db2.gz NXOQIKCZRFGFRA-RYUDHWBXSA-N 1 0 381.885 2.665 10 0 GFAERO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000237104533 553074811 /nfs/dbraw/zinc/07/48/11/553074811.db2.gz NYRQQILETHHLPT-RDJZCZTQSA-N 1 0 383.330 2.984 10 0 GFAERO COc1ccc(Br)cc1C(=O)CCC(=O)N1CCCC[C@H]1C[NH3+] ZINC000237109217 553074862 /nfs/dbraw/zinc/07/48/62/553074862.db2.gz SECKADZNDYPYCL-ZDUSSCGKSA-N 1 0 383.286 2.760 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1cccc(I)c1 ZINC000246029037 553100856 /nfs/dbraw/zinc/10/08/56/553100856.db2.gz PGVYQTDPKNGXJW-DOMZBBRYSA-N 1 0 384.261 2.529 10 0 GFAERO COCCN1CCN(C(=O)N[C@H]2CCc3c2cccc3Br)C[C@@H]1C ZINC000247090458 553118919 /nfs/dbraw/zinc/11/89/19/553118919.db2.gz LYYNQLIPFWYCQZ-GUYCJALGSA-N 1 0 396.329 2.799 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1csc(I)c1 ZINC000247527708 553123430 /nfs/dbraw/zinc/12/34/30/553123430.db2.gz XGBKJIXWGNQWCU-ONGXEEELSA-N 1 0 376.263 2.661 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000247547178 553123888 /nfs/dbraw/zinc/12/38/88/553123888.db2.gz YYBUNIABGRVVPG-AAEUAGOBSA-N 1 0 381.270 2.529 10 0 GFAERO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247556890 553124120 /nfs/dbraw/zinc/12/41/20/553124120.db2.gz ZHCRHQCXPFARCJ-BBRMVZONSA-N 1 0 379.298 2.965 10 0 GFAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000248683240 553133165 /nfs/dbraw/zinc/13/31/65/553133165.db2.gz XOBTVRJKEMGVRX-TVQRCGJNSA-N 1 0 376.259 2.916 10 0 GFAERO O=C(CC[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)N1CCc2sccc2C1 ZINC000249529110 553144446 /nfs/dbraw/zinc/14/44/46/553144446.db2.gz ANXUSFYZEOKDTH-IRXDYDNUSA-N 1 0 376.547 2.792 10 0 GFAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000261834929 553160686 /nfs/dbraw/zinc/16/06/86/553160686.db2.gz ULFMUNKUMYPROP-TZMCWYRMSA-N 1 0 384.307 2.653 10 0 GFAERO CCOc1c(Br)cc(C[NH2+][C@@H]2CCNC2=O)cc1Br ZINC000657523848 565105739 /nfs/dbraw/zinc/10/57/39/565105739.db2.gz SOBIYBIWITZBIY-LLVKDONJSA-N 1 0 392.091 2.588 10 0 GFAERO CC[C@H](O)C[NH+]1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000123474738 654757025 /nfs/dbraw/zinc/75/70/25/654757025.db2.gz LXCISWVQIVNOQV-INIZCTEOSA-N 1 0 393.329 2.728 10 0 GFAERO C[C@@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)N1CCOCC1 ZINC000126118414 654808505 /nfs/dbraw/zinc/80/85/05/654808505.db2.gz UBJDKBFEBVUDKH-NSHDSACASA-N 1 0 379.245 2.861 10 0 GFAERO Cc1ccc(Br)c(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000128244701 654842874 /nfs/dbraw/zinc/84/28/74/654842874.db2.gz OAWSWVKDHVVSQX-CYBMUJFWSA-N 1 0 384.318 2.789 10 0 GFAERO OCC[N@@H+](Cc1ccccc1)C[C@@H](O)COc1cccc(Br)c1 ZINC000068048946 654952781 /nfs/dbraw/zinc/95/27/81/654952781.db2.gz UJEBDKACJQJIPI-QGZVFWFLSA-N 1 0 380.282 2.683 10 0 GFAERO Cc1cccc(Nc2nn(CN3CCO[C@H](C[NH+](C)C)C3)c(=S)s2)c1 ZINC000153005072 655063903 /nfs/dbraw/zinc/06/39/03/655063903.db2.gz VVOXOVBCKXFMHV-OAHLLOKOSA-N 1 0 379.555 2.946 10 0 GFAERO CC[C@@H]1CN(CC(=O)Nc2ccc(Br)c(C)c2)CC[N@@H+]1CCOC ZINC000106114823 655103545 /nfs/dbraw/zinc/10/35/45/655103545.db2.gz PITOGIOJRGARHE-MRXNPFEDSA-N 1 0 398.345 2.739 10 0 GFAERO C[NH+](C)C[C@@H]1CN(Cc2ncc(-c3ccc(Br)cc3)o2)CCO1 ZINC000173701193 655176477 /nfs/dbraw/zinc/17/64/77/655176477.db2.gz CQOOXRJNMMBHFE-OAHLLOKOSA-N 1 0 380.286 2.867 10 0 GFAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc(Br)c(F)c2)CC1 ZINC000176442450 655245490 /nfs/dbraw/zinc/24/54/90/655245490.db2.gz ICGXIGPKSHYYSJ-GFCCVEGCSA-N 1 0 387.293 2.753 10 0 GFAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Cc2cccc(Br)c2)CC1 ZINC000176458620 655246157 /nfs/dbraw/zinc/24/61/57/655246157.db2.gz YMJDANPXEHQCOF-AWEZNQCLSA-N 1 0 383.330 2.543 10 0 GFAERO C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116783674 655253244 /nfs/dbraw/zinc/25/32/44/655253244.db2.gz ISFJLGBJYAPCGO-TZMCWYRMSA-N 1 0 387.343 2.719 10 0 GFAERO CC[C@@H]1CN(C(=O)CCc2ccccc2Br)CC[N@@H+]1CCOC ZINC000117300458 655263684 /nfs/dbraw/zinc/26/36/84/655263684.db2.gz DIZXSMJSLANAQO-MRXNPFEDSA-N 1 0 383.330 2.951 10 0 GFAERO CC[C@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)CC[N@@H+]1CCOC ZINC000117307948 655263841 /nfs/dbraw/zinc/26/38/41/655263841.db2.gz GJCVYLJWMZMVPJ-AWEZNQCLSA-N 1 0 387.293 2.700 10 0 GFAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000193536884 655410789 /nfs/dbraw/zinc/41/07/89/655410789.db2.gz BTJHAVDAYIJSAX-XZJROXQQSA-N 1 0 384.307 2.855 10 0 GFAERO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000248844505 655433416 /nfs/dbraw/zinc/43/34/16/655433416.db2.gz HGAMLMVXHKBBSK-ZNMIVQPWSA-N 1 0 384.567 2.608 10 0 GFAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H]2CSCCS2)C1 ZINC000251705873 655435056 /nfs/dbraw/zinc/43/50/56/655435056.db2.gz JSPGPMNIYFVFGS-GJZGRUSLSA-N 1 0 385.624 2.971 10 0 GFAERO Brc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3COCCN3)C2)cc1 ZINC000261864304 655442783 /nfs/dbraw/zinc/44/27/83/655442783.db2.gz CMOAXHVQNBUHBE-GDAAHCPNSA-N 1 0 394.357 2.775 10 0 GFAERO O[C@@H]1[C@@H](CNc2nc3ccccc3s2)C[C@@H]([NH2+]Cc2ccc(F)cc2)[C@@H]1O ZINC000225501967 291123358 /nfs/dbraw/zinc/12/33/58/291123358.db2.gz AZHYNQJQQSWORO-AZFSHXRASA-N 1 0 387.480 2.747 10 0 GFAERO COc1ccc(-c2noc(CC(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000021527997 204757747 /nfs/dbraw/zinc/75/77/47/204757747.db2.gz UMMGEBNNBQYBDG-HOTGVXAUSA-N 1 0 386.496 2.772 10 0 GFAERO CC[C@H](O)C[NH2+][C@@H](c1nc(-c2cc(OC)c(OC)c(OC)c2)no1)C(C)C ZINC000036160559 205007551 /nfs/dbraw/zinc/00/75/51/205007551.db2.gz QKGSKTPJTDQHFG-XJKSGUPXSA-N 1 0 379.457 2.820 10 0 GFAERO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCc1cccc(Cl)c1 ZINC000040180484 205123386 /nfs/dbraw/zinc/12/33/86/205123386.db2.gz CJHLRGCXPGIPCB-RTBURBONSA-N 1 0 385.895 2.517 10 0 GFAERO CC(C)Cn1c(CN2CC[NH2+]CC2)nc2cc(C(=O)N3CCC(C)CC3)ccc21 ZINC000049455921 205127393 /nfs/dbraw/zinc/12/73/93/205127393.db2.gz LOOUQYSLJVZXMP-UHFFFAOYSA-N 1 0 397.567 2.970 10 0 GFAERO COc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]Cc2cccnc2OC)C3)cc1 ZINC000096269387 206120437 /nfs/dbraw/zinc/12/04/37/206120437.db2.gz HRRKFFMQXSZLBQ-SFHVURJKSA-N 1 0 380.448 2.651 10 0 GFAERO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1cccc(Br)c1)c1ccccc1 ZINC000049379032 551159074 /nfs/dbraw/zinc/15/90/74/551159074.db2.gz CIIGVUKBHWOCOQ-INIZCTEOSA-N 1 0 390.281 2.807 10 0 GFAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000121823601 551243310 /nfs/dbraw/zinc/24/33/10/551243310.db2.gz UTJNHUSJYZJUHS-GFCCVEGCSA-N 1 0 388.281 2.619 10 0 GFAERO C[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000125255021 551321019 /nfs/dbraw/zinc/32/10/19/551321019.db2.gz ODQAMJVORKISRF-RYUDHWBXSA-N 1 0 381.885 2.816 10 0 GFAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000129353161 551356513 /nfs/dbraw/zinc/35/65/13/551356513.db2.gz RCUVJJIZAYAPAJ-OAHLLOKOSA-N 1 0 382.302 2.624 10 0 GFAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(Br)c1 ZINC000129449954 551357773 /nfs/dbraw/zinc/35/77/73/551357773.db2.gz KWYOYELFMRJSPS-OAHLLOKOSA-N 1 0 382.302 2.624 10 0 GFAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000152387874 551432061 /nfs/dbraw/zinc/43/20/61/551432061.db2.gz KQFVUBNBWJFYDO-IAGOWNOFSA-N 1 0 398.345 2.902 10 0 GFAERO CC[C@H]1CN(C(=O)Cc2ccc(Br)c(F)c2)CC[N@@H+]1CCOC ZINC000152388050 551432065 /nfs/dbraw/zinc/43/20/65/551432065.db2.gz HTMUYAYSQUHHLL-AWEZNQCLSA-N 1 0 387.293 2.700 10 0 GFAERO Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000154440203 551475333 /nfs/dbraw/zinc/47/53/33/551475333.db2.gz VWSKFOHPCSOFNS-SWLSCSKDSA-N 1 0 382.302 2.541 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2Br)C1 ZINC000155561332 551502456 /nfs/dbraw/zinc/50/24/56/551502456.db2.gz SFWPEWUQLUPHLU-NSHDSACASA-N 1 0 388.693 2.642 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000164921713 551627888 /nfs/dbraw/zinc/62/78/88/551627888.db2.gz HOHNGKFUKOWXJZ-RISCZKNCSA-N 1 0 375.441 2.533 10 0 GFAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2sccc2Br)CC1 ZINC000176868889 552147965 /nfs/dbraw/zinc/14/79/65/552147965.db2.gz ITKZJTAAYIXNDA-LLVKDONJSA-N 1 0 375.332 2.675 10 0 GFAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)C[C@@H]1C ZINC000179506434 552195014 /nfs/dbraw/zinc/19/50/14/552195014.db2.gz ZFMJMYWVTGDJAN-LSDHHAIUSA-N 1 0 393.329 2.522 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Br)c2)CCO1 ZINC000181230890 552250761 /nfs/dbraw/zinc/25/07/61/552250761.db2.gz JDSRVIFCPVKUQB-LLVKDONJSA-N 1 0 376.682 2.897 10 0 GFAERO C[C@@H](NC(=O)N(C)CCCN1CC[NH+](C)CC1)c1ccccc1Br ZINC000182210765 552278205 /nfs/dbraw/zinc/27/82/05/552278205.db2.gz KRVCPAIKUNBHIQ-OAHLLOKOSA-N 1 0 397.361 2.789 10 0 GFAERO CC(C)NC(=O)CC[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186102606 552379410 /nfs/dbraw/zinc/37/94/10/552379410.db2.gz QGHMGMPTNOSDFW-QGZVFWFLSA-N 1 0 377.286 2.833 10 0 GFAERO CN1C[C@H]([NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)CCC1=O ZINC000186203435 552381660 /nfs/dbraw/zinc/38/16/60/552381660.db2.gz YWJUINXGMNUMMW-WBVHZDCISA-N 1 0 375.270 2.539 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000186765646 552397210 /nfs/dbraw/zinc/39/72/10/552397210.db2.gz SWDKJLLBZWYJAD-ZDUSSCGKSA-N 1 0 393.289 2.636 10 0 GFAERO Fc1cc(Br)cc(OCC[N@@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000188953195 552459166 /nfs/dbraw/zinc/45/91/66/552459166.db2.gz OQEOHOVSNQGFGZ-UHFFFAOYSA-N 1 0 395.276 2.969 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)C[C@H]1C ZINC000245810574 553097871 /nfs/dbraw/zinc/09/78/71/553097871.db2.gz ZFMJMYWVTGDJAN-CABCVRRESA-N 1 0 393.329 2.522 10 0 GFAERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000246127845 553102964 /nfs/dbraw/zinc/10/29/64/553102964.db2.gz AMAZLNMHLFUZDK-XQQFMLRXSA-N 1 0 399.333 2.636 10 0 GFAERO C[C@H](NC(=O)[C@H](C)N1CCO[C@@H](C[NH+](C)C)C1)c1ccc(Cl)cc1Cl ZINC000246305816 553105986 /nfs/dbraw/zinc/10/59/86/553105986.db2.gz JLLYYKWTAIIVFN-YDHLFZDLSA-N 1 0 388.339 2.822 10 0 GFAERO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246767913 553112876 /nfs/dbraw/zinc/11/28/76/553112876.db2.gz QIABCNGAHFPGJU-CRAIPNDOSA-N 1 0 393.281 2.737 10 0 GFAERO C[C@H]1CN([C@H](CNC(=O)CSc2ccncc2)c2cccs2)CCO1 ZINC000246996104 553117020 /nfs/dbraw/zinc/11/70/20/553117020.db2.gz QXLRHKDAEIHGFL-GOEBONIOSA-N 1 0 377.535 2.813 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(I)cc1 ZINC000247046610 553117796 /nfs/dbraw/zinc/11/77/96/553117796.db2.gz VUHGNRFHDBLORA-CABCVRRESA-N 1 0 384.261 2.990 10 0 GFAERO CC[C@H]1CN(CCC(=O)Nc2ccccc2Br)CC[N@@H+]1C[C@H](C)O ZINC000247772062 553124978 /nfs/dbraw/zinc/12/49/78/553124978.db2.gz PMQYTISEZOHKOE-GJZGRUSLSA-N 1 0 398.345 2.555 10 0 GFAERO CC[C@@H]1CN(C(=O)N[C@@H](C)c2cccc(Br)c2)CC[N@@H+]1C[C@H](C)O ZINC000248445672 553129993 /nfs/dbraw/zinc/12/99/93/553129993.db2.gz FILQVLUWJZMEOL-GRDNDAEWSA-N 1 0 398.345 2.997 10 0 GFAERO Cc1c(Br)c2ccccc2n1CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248585281 553131066 /nfs/dbraw/zinc/13/10/66/553131066.db2.gz GBSIBWKWMUXYDY-AEGPPILISA-N 1 0 376.298 2.908 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccc(I)cc2)C1 ZINC000248714237 553133767 /nfs/dbraw/zinc/13/37/67/553133767.db2.gz JRGBEXAWBDDFRH-IUODEOHRSA-N 1 0 386.277 2.679 10 0 GFAERO Cc1cc(Br)cc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000249150982 553140465 /nfs/dbraw/zinc/14/04/65/553140465.db2.gz XDQKFYCQIISTBG-DOMZBBRYSA-N 1 0 382.302 2.541 10 0 GFAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccccc1Oc1cccc(Br)c1 ZINC000262068454 553165251 /nfs/dbraw/zinc/16/52/51/553165251.db2.gz BKTQKXITZPMBRF-BLLLJJGKSA-N 1 0 391.265 2.552 10 0 GFAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000282530355 563414859 /nfs/dbraw/zinc/41/48/59/563414859.db2.gz YZUAWTBGVQQKAB-PELKAZGASA-N 1 0 376.092 2.968 10 0 GFAERO C[N@@H+]1CCO[C@@H]2CN(c3nn4cc(-c5ccc(Cl)cc5)nc4s3)C[C@@H]21 ZINC000302390131 563424241 /nfs/dbraw/zinc/42/42/41/563424241.db2.gz DBHVDTHBUQJMKM-LSDHHAIUSA-N 1 0 375.885 2.630 10 0 GFAERO O=C(c1cccc(F)c1I)N1CCN2CCCC[C@H]2C1 ZINC000533540889 564964964 /nfs/dbraw/zinc/96/49/64/564964964.db2.gz AIEGVMBYZDPNJD-NSHDSACASA-N 1 0 388.224 2.741 10 0 GFAERO COC(=O)c1cc(F)c2c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)C1)C[C@@H]2[NH3+] ZINC000725259713 570306612 /nfs/dbraw/zinc/30/66/12/570306612.db2.gz IGBIKQPCTLLHBU-ORAYPTAESA-N 1 0 380.416 2.774 10 0 GFAERO COC(=O)c1cc2c(cc1F)[C@H](NC(=O)OC(C)(C)C)C[C@@]1(CC[NH2+]C1)O2 ZINC000725259910 570307101 /nfs/dbraw/zinc/30/71/01/570307101.db2.gz KJCJMDBPFCHHAL-AUUYWEPGSA-N 1 0 380.416 2.693 10 0 GFAERO COC(=O)c1cc2c(cc1F)[C@H]([NH3+])C[C@@]1(CCN(C(=O)OC(C)(C)C)C1)O2 ZINC000725260142 570307794 /nfs/dbraw/zinc/30/77/94/570307794.db2.gz NGPXGZMLKZJRKR-AUUYWEPGSA-N 1 0 380.416 2.774 10 0 GFAERO Cc1cc2ccccc2n1CCNC(=O)[C@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000023339016 570321542 /nfs/dbraw/zinc/32/15/42/570321542.db2.gz USQDVLLLBCYSDE-FQEVSTJZSA-N 1 0 382.552 2.872 10 0 GFAERO CCN1c2ccc(S(=O)(=O)NCCC[NH+](CC)CC)c3cccc(c23)C1=O ZINC000011691653 570339008 /nfs/dbraw/zinc/33/90/08/570339008.db2.gz FILFQLKFVITNHK-UHFFFAOYSA-N 1 0 389.521 2.830 10 0 GFAERO COC(=O)CC[C@H]1C[N@H+](Cc2c[nH]c3ccccc23)CC[C@H]1N1CCOCC1 ZINC000014993873 570870246 /nfs/dbraw/zinc/87/02/46/570870246.db2.gz NWHKNKFHAKGGTE-LAUBAEHRSA-N 1 0 385.508 2.644 10 0 GFAERO CCOC[C@@H](O)CN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C(C)C ZINC000104987097 570911329 /nfs/dbraw/zinc/91/13/29/570911329.db2.gz CTTNVCVRZJAWLU-KBPBESRZSA-N 1 0 393.553 2.717 10 0 GFAERO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2noc3c2CCCC3)C1 ZINC000095511387 571082166 /nfs/dbraw/zinc/08/21/66/571082166.db2.gz YKQPQJMRVUNBIA-MRXNPFEDSA-N 1 0 385.512 2.721 10 0 GFAERO CC(C)[N@H+]1C[C@H](NC(=O)Cc2cccc(I)c2)[C@@H](C)C1 ZINC000127361364 654827421 /nfs/dbraw/zinc/82/74/21/654827421.db2.gz ZZHYHNQALRTUJD-WFASDCNBSA-N 1 0 386.277 2.679 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)NCC(C)(C)c2ccccc2Br)CCO1 ZINC000131364969 654903814 /nfs/dbraw/zinc/90/38/14/654903814.db2.gz KCFSOQIQENHBOU-AWEZNQCLSA-N 1 0 398.345 2.699 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000096537651 655031398 /nfs/dbraw/zinc/03/13/98/655031398.db2.gz ALIOEFNLTOMJNK-CMPLNLGQSA-N 1 0 393.734 2.960 10 0 GFAERO Cc1c(C(=O)N2CC[C@@H]([NH+](C)C)C2)cnn1-c1cccc(Br)c1 ZINC000106023689 655101038 /nfs/dbraw/zinc/10/10/38/655101038.db2.gz CRPCKRUEUJXEJV-OAHLLOKOSA-N 1 0 377.286 2.719 10 0 GFAERO O=C(CC[N@@H+]1CCC[C@@H](Cn2cncn2)C1)Nc1ccccc1Br ZINC000106172604 655104537 /nfs/dbraw/zinc/10/45/37/655104537.db2.gz UWMOIKSLBHTWAE-CQSZACIVSA-N 1 0 392.301 2.781 10 0 GFAERO COCC[N@@H+]1CCN(Cn2ccc(-c3ccc(Br)cc3)n2)C[C@@H]1C ZINC000159966383 655118181 /nfs/dbraw/zinc/11/81/81/655118181.db2.gz CFRBWCXSCQVIMZ-HNNXBMFYSA-N 1 0 393.329 2.923 10 0 GFAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1Br)CC2 ZINC000112551260 655193363 /nfs/dbraw/zinc/19/33/63/655193363.db2.gz QQFGXLZIRTUEGK-NEPJUHHUSA-N 1 0 392.301 2.535 10 0 GFAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CCc2cccc(Br)c2)CC1 ZINC000176448268 655245939 /nfs/dbraw/zinc/24/59/39/655245939.db2.gz RCKYJPUGPUMPBK-OAHLLOKOSA-N 1 0 397.357 2.933 10 0 GFAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116783626 655253199 /nfs/dbraw/zinc/25/31/99/655253199.db2.gz ZKMWTGAZGHQNJO-AWEZNQCLSA-N 1 0 394.313 2.501 10 0 GFAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000176920200 655261286 /nfs/dbraw/zinc/26/12/86/655261286.db2.gz HODOEOBUVDPKTI-OAHLLOKOSA-N 1 0 376.469 2.530 10 0 GFAERO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000177131948 655269560 /nfs/dbraw/zinc/26/95/60/655269560.db2.gz SZDVOKXQPAXMKA-CYBMUJFWSA-N 1 0 388.339 2.903 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(I)ccc1O ZINC000177423136 655276297 /nfs/dbraw/zinc/27/62/97/655276297.db2.gz CQRJATYOJJBIPS-GFCCVEGCSA-N 1 0 388.249 2.553 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(Br)cc1-n1cncn1 ZINC000119207642 655292957 /nfs/dbraw/zinc/29/29/57/655292957.db2.gz YMUGMYBAYXGMSC-CQSZACIVSA-N 1 0 392.301 2.586 10 0 GFAERO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)NCCc1cccs1 ZINC000120172655 655330113 /nfs/dbraw/zinc/33/01/13/655330113.db2.gz MJSKQCOAUKNCAC-UONOGXRCSA-N 1 0 380.535 2.550 10 0 GFAERO CCOCC[N@@H+]1CCN(C(=O)Nc2cccc(Br)n2)C[C@@H]1CC ZINC000188481997 655380073 /nfs/dbraw/zinc/38/00/73/655380073.db2.gz XQFITRFBJBHZRT-ZDUSSCGKSA-N 1 0 385.306 2.809 10 0 GFAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(I)c(Cl)c1 ZINC000189746618 655387830 /nfs/dbraw/zinc/38/78/30/655387830.db2.gz LZTAXWOKKHWAFZ-QPUJVOFHSA-N 1 0 378.641 2.815 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1c(=O)oc2cc(F)c(Br)cc21 ZINC000192160499 655403071 /nfs/dbraw/zinc/40/30/71/655403071.db2.gz JTFZFFPCFRYQQS-WDEREUQCSA-N 1 0 384.249 2.622 10 0 GFAERO C[NH2+][C@H](C)CNC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 ZINC000261654722 655441607 /nfs/dbraw/zinc/44/16/07/655441607.db2.gz FJEOVZFOMSDFCR-CYBMUJFWSA-N 1 0 378.519 2.579 10 0 GFAERO O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262836959 655447300 /nfs/dbraw/zinc/44/73/00/655447300.db2.gz SQGCJJKLYRWSSZ-NHYWBVRUSA-N 1 0 383.279 2.578 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C[NH2+]Cc2cc(Br)cs2)C1 ZINC000702763044 655521784 /nfs/dbraw/zinc/52/17/84/655521784.db2.gz LMTKUDGSPAKWMJ-GWCFXTLKSA-N 1 0 391.331 2.828 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2Br)[C@H](O)C1 ZINC000702784034 655521830 /nfs/dbraw/zinc/52/18/30/655521830.db2.gz MTNWZMONMHPSJG-UKRRQHHQSA-N 1 0 385.302 2.767 10 0 GFAERO CCn1nc(C(=O)N(C)Cc2ccoc2)c2c1CC[C@H]([NH2+]CCCSC)C2 ZINC000014741649 207027676 /nfs/dbraw/zinc/02/76/76/207027676.db2.gz RYIQNTJAQLFOCZ-INIZCTEOSA-N 1 0 390.553 2.968 10 0 GFAERO Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]Cc1ccc(F)c(F)c1)C2 ZINC000014753366 207028936 /nfs/dbraw/zinc/02/89/36/207028936.db2.gz JUCXUNUSFHDKDY-HNNXBMFYSA-N 1 0 388.462 2.972 10 0 GFAERO CO[C@@H]1CCC[N@@H+](C2CCN(c3ccc(CC(=O)N4CCCC4)cc3)CC2)C1 ZINC000014984430 207038124 /nfs/dbraw/zinc/03/81/24/207038124.db2.gz HJHIIJXJUOGPEP-JOCHJYFZSA-N 1 0 385.552 2.931 10 0 GFAERO COC(=O)Cn1cc(C[NH2+][C@@H]2CCCN(Cc3ccccn3)C2)c2ccccc21 ZINC000019336904 207117307 /nfs/dbraw/zinc/11/73/07/207117307.db2.gz CCHGATVASRRPPO-HXUWFJFHSA-N 1 0 392.503 2.964 10 0 GFAERO CCn1ccnc1CN1CCC[C@H]([N@@H+]2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000019770282 207161614 /nfs/dbraw/zinc/16/16/14/207161614.db2.gz PHESWHFTJYKBQP-IBGZPJMESA-N 1 0 384.524 2.943 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC000067344723 207889768 /nfs/dbraw/zinc/88/97/68/207889768.db2.gz OPMZAKRUFLUCRU-INIZCTEOSA-N 1 0 384.480 2.967 10 0 GFAERO c1c(-c2ccc3c(c2)OCCCO3)nc2n1C[C@H](C[NH2+]Cc1ccncc1)OC2 ZINC000096269407 209013963 /nfs/dbraw/zinc/01/39/63/209013963.db2.gz VXOCOYCDJJWWEE-SFHVURJKSA-N 1 0 392.459 2.795 10 0 GFAERO COc1ccc(Cn2c(=O)c3sccc3nc2N2CCC[C@@H]([NH3+])C2)cc1F ZINC000057344580 524256667 /nfs/dbraw/zinc/25/66/67/524256667.db2.gz AKQQUOFIJYIUQE-CYBMUJFWSA-N 1 0 388.468 2.582 10 0 GFAERO CCN1CCO[C@H](C[NH2+]Cc2cc(Cl)ccc2I)C1 ZINC000405792295 563539637 /nfs/dbraw/zinc/53/96/37/563539637.db2.gz PDLIDRDRACZBAO-CYBMUJFWSA-N 1 0 394.684 2.755 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1cccc(I)c1 ZINC000121801900 551242895 /nfs/dbraw/zinc/24/28/95/551242895.db2.gz OWKOGIQZTDNPIP-OAHLLOKOSA-N 1 0 386.277 2.776 10 0 GFAERO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000121830982 551243614 /nfs/dbraw/zinc/24/36/14/551243614.db2.gz JZLSVYGDLAKRGJ-CQSZACIVSA-N 1 0 384.318 2.789 10 0 GFAERO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000150778098 551401133 /nfs/dbraw/zinc/40/11/33/551401133.db2.gz GSASNDRREHPZHZ-DZGCQCFKSA-N 1 0 396.329 2.849 10 0 GFAERO Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)ccc1Br ZINC000150775807 551401263 /nfs/dbraw/zinc/40/12/63/551401263.db2.gz WJJQAJMOORKPBD-SWLSCSKDSA-N 1 0 382.302 2.541 10 0 GFAERO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000156117131 551514841 /nfs/dbraw/zinc/51/48/41/551514841.db2.gz CEBIHYOVWMKDSN-ZDUSSCGKSA-N 1 0 399.333 2.924 10 0 GFAERO Cc1cc(Br)cc2cc(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)oc21 ZINC000157091113 551533261 /nfs/dbraw/zinc/53/32/61/551533261.db2.gz CLMINFJJNILEDM-AWEZNQCLSA-N 1 0 381.270 2.906 10 0 GFAERO CC[C@H](O)C[NH+]1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000163426246 551619515 /nfs/dbraw/zinc/61/95/15/551619515.db2.gz DMPRZYOCIVWPMF-KRWDZBQOSA-N 1 0 378.314 2.886 10 0 GFAERO O=C(c1ccc(I)cc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000170828868 551640953 /nfs/dbraw/zinc/64/09/53/551640953.db2.gz MCNQWESAJGIXIK-LLVKDONJSA-N 1 0 390.652 2.865 10 0 GFAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000170866817 551641834 /nfs/dbraw/zinc/64/18/34/551641834.db2.gz KXJLVALJCUVQDC-CZUORRHYSA-N 1 0 384.307 2.761 10 0 GFAERO COc1cc(Br)c(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000171891461 551666253 /nfs/dbraw/zinc/66/62/53/551666253.db2.gz WBOPNBRPKZHMSA-LLVKDONJSA-N 1 0 384.274 2.778 10 0 GFAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2cc(Br)ccc2F)CC1 ZINC000176868395 552147904 /nfs/dbraw/zinc/14/79/04/552147904.db2.gz PFDRPTLVSYIGFE-GFCCVEGCSA-N 1 0 387.293 2.753 10 0 GFAERO Cn1cc(NC(=O)N2CCC(CCC[NH+](C)C)CC2)cc(Br)c1=O ZINC000180586555 552230622 /nfs/dbraw/zinc/23/06/22/552230622.db2.gz REBMPWALJUGDAR-UHFFFAOYSA-N 1 0 399.333 2.734 10 0 GFAERO Cc1ccc(NC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c(Br)n1 ZINC000181245895 552251008 /nfs/dbraw/zinc/25/10/08/552251008.db2.gz ZQHVRGBNPWDVEP-CYBMUJFWSA-N 1 0 399.333 2.709 10 0 GFAERO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183128962 552301062 /nfs/dbraw/zinc/30/10/62/552301062.db2.gz NACOHXIWXPUOIV-ZANVPECISA-N 1 0 375.252 2.876 10 0 GFAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCc2cccc(Br)c2)CC1 ZINC000184979284 552349957 /nfs/dbraw/zinc/34/99/57/552349957.db2.gz FIDSIOGIIMBGQF-CQSZACIVSA-N 1 0 398.345 2.683 10 0 GFAERO OCC1(C[NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)CCOCC1 ZINC000186294076 552384249 /nfs/dbraw/zinc/38/42/49/552384249.db2.gz RSJXIEUCJUPXMW-KRWDZBQOSA-N 1 0 392.297 2.707 10 0 GFAERO Cc1c(Br)scc1C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000187637602 552420958 /nfs/dbraw/zinc/42/09/58/552420958.db2.gz WJMJQUSEJFSCML-LLVKDONJSA-N 1 0 389.359 2.984 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)C1 ZINC000190403533 552494945 /nfs/dbraw/zinc/49/49/45/552494945.db2.gz CPDSWKWOQUTCCP-CYBMUJFWSA-N 1 0 382.302 2.605 10 0 GFAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2cccnc2Br)C1 ZINC000190593252 552502272 /nfs/dbraw/zinc/50/22/72/552502272.db2.gz XZTNBKVZYVHVCH-OAHLLOKOSA-N 1 0 389.297 2.833 10 0 GFAERO COCCN1CCN(C(=O)Nc2cc(F)cc(F)c2Br)C[C@H]1C ZINC000190617709 552503341 /nfs/dbraw/zinc/50/33/41/552503341.db2.gz CUGXMEIWKCQCJT-SNVBAGLBSA-N 1 0 392.244 2.912 10 0 GFAERO CC[C@H]1CN(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC[N@@H+]1C[C@@H](C)O ZINC000192311404 552559545 /nfs/dbraw/zinc/55/95/45/552559545.db2.gz GVPNOTMMLXZRHF-PWSUYJOCSA-N 1 0 375.300 2.885 10 0 GFAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1cc2c(cc1Br)CCC2 ZINC000192472141 552565322 /nfs/dbraw/zinc/56/53/22/552565322.db2.gz HIHNQWIJIZZTTE-HNNXBMFYSA-N 1 0 396.329 2.906 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000194149967 553013244 /nfs/dbraw/zinc/01/32/44/553013244.db2.gz BROCRJDKIMIVIT-LLVKDONJSA-N 1 0 377.794 2.898 10 0 GFAERO Cc1c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cnn1-c1ccc(Br)cc1 ZINC000195327940 553045565 /nfs/dbraw/zinc/04/55/65/553045565.db2.gz OEHMREZWJKMQGQ-MRXNPFEDSA-N 1 0 389.297 2.863 10 0 GFAERO Cn1cc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(Br)cc2)cn1 ZINC000245840392 553097600 /nfs/dbraw/zinc/09/76/00/553097600.db2.gz GFMFBTJFIDIIJE-WBVHZDCISA-N 1 0 380.286 2.759 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(CC2=Cc3cc(Br)ccc3OC2)C[C@@H]1C ZINC000245806938 553097787 /nfs/dbraw/zinc/09/77/87/553097787.db2.gz YRNHTSZPLPNSEL-KBPBESRZSA-N 1 0 381.314 2.612 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000245896583 553099281 /nfs/dbraw/zinc/09/92/81/553099281.db2.gz KLLPJLQFMAFTAP-CJNGLKHVSA-N 1 0 389.297 2.944 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(Br)s1 ZINC000246074563 553101580 /nfs/dbraw/zinc/10/15/80/553101580.db2.gz FIPZUUHTMIBKJV-MNOVXSKESA-N 1 0 379.345 2.758 10 0 GFAERO CCC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000246273773 553105080 /nfs/dbraw/zinc/10/50/80/553105080.db2.gz WEOODWIEFXFROH-DOTOQJQBSA-N 1 0 385.346 2.853 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1I ZINC000246336958 553106581 /nfs/dbraw/zinc/10/65/81/553106581.db2.gz BYCINPJCTRGNHQ-RYUDHWBXSA-N 1 0 385.249 2.992 10 0 GFAERO CC[C@H]1CN(C(=O)CCc2ccc(Br)c(C)c2)CC[N@@H+]1C[C@H](C)O ZINC000246515631 553109002 /nfs/dbraw/zinc/10/90/02/553109002.db2.gz QYEASUOZCRLHSD-RDJZCZTQSA-N 1 0 397.357 2.994 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H](CO)c2cccc(Br)c2)C1 ZINC000246570431 553109858 /nfs/dbraw/zinc/10/98/58/553109858.db2.gz BUCSLHICQFNBJN-UHOFOFEASA-N 1 0 384.318 2.510 10 0 GFAERO CC[C@H]1CN(C(=O)c2cc(Br)cn2C(C)C)CC[N@@H+]1C[C@H](C)O ZINC000246753025 553112969 /nfs/dbraw/zinc/11/29/69/553112969.db2.gz HAJPJYUUHZXFQO-ZFWWWQNUSA-N 1 0 386.334 2.749 10 0 GFAERO CC[C@H]1CN(CCC(=O)Nc2cccc(Br)c2)CC[N@@H+]1C[C@H](C)O ZINC000247191303 553119549 /nfs/dbraw/zinc/11/95/49/553119549.db2.gz STUBLMLULOTAFD-YOEHRIQHSA-N 1 0 398.345 2.555 10 0 GFAERO CCOCC[N@@H+]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000247877920 553126704 /nfs/dbraw/zinc/12/67/04/553126704.db2.gz YWIHQRLZJNPTJJ-GOEBONIOSA-N 1 0 391.339 2.776 10 0 GFAERO CC[C@@H]1CN(C(=O)CCc2ccc(Br)cc2)CC[N@@H+]1C[C@H](C)O ZINC000248371031 553129041 /nfs/dbraw/zinc/12/90/41/553129041.db2.gz YFIQECYTZSSGLW-WMLDXEAASA-N 1 0 383.330 2.685 10 0 GFAERO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000248886738 553136886 /nfs/dbraw/zinc/13/68/86/553136886.db2.gz RBKXRNPQGVBHQF-QMTHXVAHSA-N 1 0 388.295 2.785 10 0 GFAERO OC[C@@H]1C[N@H+](C[C@@H](O)COCc2ccccc2Cl)C[C@H]1c1ccsc1 ZINC000249572395 553144156 /nfs/dbraw/zinc/14/41/56/553144156.db2.gz OPGKEAFOUHFJQK-KSZLIROESA-N 1 0 381.925 2.987 10 0 GFAERO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OCC3CCC3)C[C@H]12 ZINC000249611738 553145166 /nfs/dbraw/zinc/14/51/66/553145166.db2.gz SEOWAEBWWBVBNB-CWRNSKLLSA-N 1 0 384.929 2.877 10 0 GFAERO O[C@@H](COc1cccc(Br)c1)C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249734803 553145384 /nfs/dbraw/zinc/14/53/84/553145384.db2.gz VSEUFGPQDKDPEC-UKRRQHHQSA-N 1 0 380.286 2.792 10 0 GFAERO COc1c(Br)cc(Br)cc1CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261944125 553163564 /nfs/dbraw/zinc/16/35/64/553163564.db2.gz FBPLVWBQYKNTOZ-PELKAZGASA-N 1 0 378.108 2.999 10 0 GFAERO CN1C[C@@H](C[NH2+]Cc2cc(Br)cc(Br)c2)CC1=O ZINC000657696592 565120704 /nfs/dbraw/zinc/12/07/04/565120704.db2.gz VWWXETFNODWJLQ-SNVBAGLBSA-N 1 0 376.092 2.780 10 0 GFAERO C[C@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@@H]1C[NH3+] ZINC000638902604 565216607 /nfs/dbraw/zinc/21/66/07/565216607.db2.gz LFTKALDZYWYTRO-IUCAKERBSA-N 1 0 376.092 2.878 10 0 GFAERO CC[C@@H](O)C[N@@H+]1CCCN(c2ccc(NC(=O)c3cccc(F)c3)cn2)CC1 ZINC000034682254 570300143 /nfs/dbraw/zinc/30/01/43/570300143.db2.gz BFPXNWUDGSTDFQ-LJQANCHMSA-N 1 0 386.471 2.756 10 0 GFAERO O=C([C@H]1CCC(=O)N(Cc2ccccc2F)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000011874401 570442400 /nfs/dbraw/zinc/44/24/00/570442400.db2.gz SIBLWQXRUOGXOH-SFHVURJKSA-N 1 0 387.499 2.651 10 0 GFAERO Cc1ccc(C)c(C[N@@H+]2CCC[C@H](n3ncc(N4CCC(O)CC4)cc3=O)C2)c1 ZINC000583618324 570800403 /nfs/dbraw/zinc/80/04/03/570800403.db2.gz NZGBHJZAHDSOHE-FQEVSTJZSA-N 1 0 396.535 2.658 10 0 GFAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)C1 ZINC000133042274 654952880 /nfs/dbraw/zinc/95/28/80/654952880.db2.gz OXFAVJRKAABJKU-GXTWGEPZSA-N 1 0 376.469 2.826 10 0 GFAERO C[C@@H](Sc1nc2ccccc2s1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000133613149 654968275 /nfs/dbraw/zinc/96/82/75/654968275.db2.gz MJDGQOTUDCYALL-ZIAGYGMSSA-N 1 0 379.551 2.740 10 0 GFAERO CC[C@@H](O)C[NH+]1CCN(Cc2ncc(-c3ccccc3Br)o2)CC1 ZINC000174079104 655191590 /nfs/dbraw/zinc/19/15/90/655191590.db2.gz BGJKPSNWBJLNCH-CQSZACIVSA-N 1 0 394.313 2.993 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(C)c(Br)c1 ZINC000176901251 655259979 /nfs/dbraw/zinc/25/99/79/655259979.db2.gz PYTBFUQGNBAVET-CQSZACIVSA-N 1 0 382.302 2.639 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000194153686 655414384 /nfs/dbraw/zinc/41/43/84/655414384.db2.gz YLVGNYYBHLJLQR-NSHDSACASA-N 1 0 375.416 2.838 10 0 GFAERO COc1ccc(Br)cc1C(=O)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237110362 655425642 /nfs/dbraw/zinc/42/56/42/655425642.db2.gz JUOWJNOJLOFLFV-PBWFPOADSA-N 1 0 395.297 2.820 10 0 GFAERO COCCN1CCN(C(=O)[C@H](C)Sc2nc3ccccc3s2)C[C@@H]1C ZINC000245756870 655428590 /nfs/dbraw/zinc/42/85/90/655428590.db2.gz YOJSPCMGQCEXGB-KBPBESRZSA-N 1 0 379.551 2.956 10 0 GFAERO C[NH2+][C@H](C)CNC(=O)c1ccc(OCc2cc(C)no2)c(Br)c1 ZINC000261789319 655442373 /nfs/dbraw/zinc/44/23/73/655442373.db2.gz QQZXTORUGRQTND-LLVKDONJSA-N 1 0 382.258 2.662 10 0 GFAERO CCOC(=O)C[C@H](NC(=O)CC[C@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000261818003 655442518 /nfs/dbraw/zinc/44/25/18/655442518.db2.gz HSEIBWNVSXSNGD-BBRMVZONSA-N 1 0 397.313 2.949 10 0 GFAERO O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262836956 655447354 /nfs/dbraw/zinc/44/73/54/655447354.db2.gz SQGCJJKLYRWSSZ-IAQYHMDHSA-N 1 0 383.279 2.578 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@@H](C[NH2+]Cc2cc(Br)cs2)[C@H](O)C1 ZINC000702763049 655521779 /nfs/dbraw/zinc/52/17/79/655521779.db2.gz LMTKUDGSPAKWMJ-ZWNOBZJWSA-N 1 0 391.331 2.828 10 0 GFAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CCn2cc(Br)cn2)C1 ZINC000381068122 677405992 /nfs/dbraw/zinc/40/59/92/677405992.db2.gz NVBLVILKWZKXFI-ZDUSSCGKSA-N 1 0 387.322 2.882 10 0 GFAERO Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CCc1cccc(F)c1)C2 ZINC000014745835 207027808 /nfs/dbraw/zinc/02/78/08/207027808.db2.gz LOXOELROHWUCSE-GOSISDBHSA-N 1 0 384.499 2.875 10 0 GFAERO C[C@@H](C1CCN(C(=O)c2cc(COc3ccccc3)[nH]n2)CC1)[NH+]1CCOCC1 ZINC000020999082 207222376 /nfs/dbraw/zinc/22/23/76/207222376.db2.gz QTXCGKTYZPBOFQ-KRWDZBQOSA-N 1 0 398.507 2.562 10 0 GFAERO Cc1cnc(CN2C[C@@]3(CCC[N@H+](CCc4ccccn4)C3)CCC2=O)cn1 ZINC000092062452 208147932 /nfs/dbraw/zinc/14/79/32/208147932.db2.gz LBPMABQZKTYUSI-QFIPXVFZSA-N 1 0 379.508 2.627 10 0 GFAERO COc1ccccc1-c1cn2c(n1)CO[C@@H](C[NH2+]Cc1ccc3c(c1)OCO3)C2 ZINC000096269385 209013785 /nfs/dbraw/zinc/01/37/85/209013785.db2.gz OSAZZISBMLASQB-INIZCTEOSA-N 1 0 393.443 2.976 10 0 GFAERO O=C(CC[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH+]1CCCC1)N1CCC(O)CC1 ZINC000299784093 209088853 /nfs/dbraw/zinc/08/88/53/209088853.db2.gz YVOOUDJDIQKALJ-JTHBVZDNSA-N 1 0 399.579 2.736 10 0 GFAERO COc1cccc(C[N@@H+]2CCC[C@H](n3cc(C(=O)N4CCCCC4)nn3)C2)c1 ZINC000299780646 209086040 /nfs/dbraw/zinc/08/60/40/209086040.db2.gz BDGQWLPHICLSPC-SFHVURJKSA-N 1 0 383.496 2.750 10 0 GFAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cn1c2cccnc2n(C2CCCCC2)c1=O ZINC000065202685 222109526 /nfs/dbraw/zinc/10/95/26/222109526.db2.gz ZOSOTKLUPZCPSE-QGZVFWFLSA-N 1 0 399.539 2.694 10 0 GFAERO CC[NH+](CC)CCNC(=O)C1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000040921616 535529849 /nfs/dbraw/zinc/52/98/49/535529849.db2.gz XTSWPPFTDSXVEG-UHFFFAOYSA-N 1 0 381.524 2.818 10 0 GFAERO CCc1ncnc(N2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c1F ZINC000095525611 536176394 /nfs/dbraw/zinc/17/63/94/536176394.db2.gz OEQWCVYHIRWFKP-INIZCTEOSA-N 1 0 391.535 2.727 10 0 GFAERO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1ccc(Br)cc1)c1ccccc1 ZINC000049379025 551158974 /nfs/dbraw/zinc/15/89/74/551158974.db2.gz CQXLZGCRVRVIAF-MRXNPFEDSA-N 1 0 390.281 2.807 10 0 GFAERO CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000066391622 551187311 /nfs/dbraw/zinc/18/73/11/551187311.db2.gz HEWTYGWNRNDIMY-OBJOEFQTSA-N 1 0 390.908 2.554 10 0 GFAERO O=C(Nc1ccccc1I)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000104971109 551199193 /nfs/dbraw/zinc/19/91/93/551199193.db2.gz FLOWTMXXRDBEME-LBPRGKRZSA-N 1 0 385.249 2.993 10 0 GFAERO C[NH+](C)[C@H]1CCN(C(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000135335238 551387190 /nfs/dbraw/zinc/38/71/90/551387190.db2.gz NWLFRSIOGCHUQW-DLBZAZTESA-N 1 0 380.330 2.749 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000151818257 551421795 /nfs/dbraw/zinc/42/17/95/551421795.db2.gz KLLPJLQFMAFTAP-CZUORRHYSA-N 1 0 389.297 2.944 10 0 GFAERO C[C@H](Cc1ccccc1Br)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000152641774 551437539 /nfs/dbraw/zinc/43/75/39/551437539.db2.gz NUCLRPSRDDGASO-ZBFHGGJFSA-N 1 0 398.345 2.526 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(F)c(I)c1 ZINC000159122514 551561547 /nfs/dbraw/zinc/56/15/47/551561547.db2.gz WSLZMBBOHFMWEM-GFCCVEGCSA-N 1 0 390.240 2.987 10 0 GFAERO Cc1cc(I)ccc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171885797 551666313 /nfs/dbraw/zinc/66/63/13/551666313.db2.gz ZNPLZLUPBSAFRR-ZDUSSCGKSA-N 1 0 385.249 2.912 10 0 GFAERO CC[C@H]1CN(C(=O)CCc2cc(Br)cs2)CC[N@@H+]1C[C@@H](C)O ZINC000174617325 552106859 /nfs/dbraw/zinc/10/68/59/552106859.db2.gz RFUMWNFTKFMMTP-OCCSQVGLSA-N 1 0 389.359 2.747 10 0 GFAERO C[C@H]1C[N@H+](CC2=Cc3cc(Br)ccc3OC2)C[C@@H]1N1CCOCC1 ZINC000180233176 552218373 /nfs/dbraw/zinc/21/83/73/552218373.db2.gz NPGMHAKEJLIYQA-KSSFIOAISA-N 1 0 393.325 2.877 10 0 GFAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccc(Cl)s1 ZINC000183015853 552298741 /nfs/dbraw/zinc/29/87/41/552298741.db2.gz KPKIUDGSVMDSFF-ZJUUUORDSA-N 1 0 387.914 2.727 10 0 GFAERO O[C@]1(C[NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)CCSC1 ZINC000186233363 552382957 /nfs/dbraw/zinc/38/29/57/552382957.db2.gz CYCBMDCEAGOIPN-HOTGVXAUSA-N 1 0 380.311 2.786 10 0 GFAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2cncc(Br)c2)C1 ZINC000190574324 552501791 /nfs/dbraw/zinc/50/17/91/552501791.db2.gz WZWZVNKTUAALBD-OAHLLOKOSA-N 1 0 389.297 2.833 10 0 GFAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)NCCc2cscn2)C1 ZINC000190728609 552506750 /nfs/dbraw/zinc/50/67/50/552506750.db2.gz MPKAJWJHGGXIEJ-AWEZNQCLSA-N 1 0 379.555 2.614 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000192070058 552548834 /nfs/dbraw/zinc/54/88/34/552548834.db2.gz OJTJWQAAEOOYNX-LLVKDONJSA-N 1 0 388.295 2.883 10 0 GFAERO CN([C@H]1CCC[NH2+]CC1)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000226462799 553061423 /nfs/dbraw/zinc/06/14/23/553061423.db2.gz NJNOCGMTXAJMPL-NSHDSACASA-N 1 0 381.723 2.865 10 0 GFAERO C[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000226812329 553062076 /nfs/dbraw/zinc/06/20/76/553062076.db2.gz YGUJCQLIXCCOOA-TVQRCGJNSA-N 1 0 392.668 2.967 10 0 GFAERO [NH3+]C[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000237980669 553084467 /nfs/dbraw/zinc/08/44/67/553084467.db2.gz SSQSQIUPPPHXCF-QMMMGPOBSA-N 1 0 387.221 2.580 10 0 GFAERO CC[C@H](C)[C@@H](NC(=O)C[NH2+][C@H](C)c1cccc(Br)c1)C(=O)OC ZINC000246211464 553104617 /nfs/dbraw/zinc/10/46/17/553104617.db2.gz YSKOHPAOOQPXAR-HWWQOWPSSA-N 1 0 385.302 2.804 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(Cc2ncc(-c3ccccc3Br)o2)C[C@H]1C ZINC000246498876 553108340 /nfs/dbraw/zinc/10/83/40/553108340.db2.gz AYPSFUZQIRRSAB-KGLIPLIRSA-N 1 0 394.313 2.991 10 0 GFAERO COc1cc(Cl)c(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1Cl ZINC000246811721 553113421 /nfs/dbraw/zinc/11/34/21/553113421.db2.gz CDYASUGFKSFHBC-MNOVXSKESA-N 1 0 379.309 2.859 10 0 GFAERO C[C@@H]1CN([C@H](CNC(=O)CSc2ccncc2)c2cccs2)CCO1 ZINC000246996090 553117470 /nfs/dbraw/zinc/11/74/70/553117470.db2.gz QXLRHKDAEIHGFL-GDBMZVCRSA-N 1 0 377.535 2.813 10 0 GFAERO Cc1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1I ZINC000247317923 553121443 /nfs/dbraw/zinc/12/14/43/553121443.db2.gz OMCORBPTMKZGET-TZMCWYRMSA-N 1 0 384.261 2.908 10 0 GFAERO Cc1ccc(Br)c(S(=O)(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000247767310 553125193 /nfs/dbraw/zinc/12/51/93/553125193.db2.gz STYFPMMAPDFZLP-TZMCWYRMSA-N 1 0 375.332 2.765 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)c2ccc(Br)cc2)C[C@H]1C ZINC000248621345 553131929 /nfs/dbraw/zinc/13/19/29/553131929.db2.gz NAAWJSXPBCVQOA-RDBSUJKOSA-N 1 0 384.318 2.607 10 0 GFAERO O=S(=O)(c1cc(Cl)c(Br)cc1F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248758124 553134597 /nfs/dbraw/zinc/13/45/97/553134597.db2.gz MBPWLJKJJBROLT-VIFPVBQESA-N 1 0 397.697 2.710 10 0 GFAERO COc1cc(Br)ccc1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251999995 553149260 /nfs/dbraw/zinc/14/92/60/553149260.db2.gz WIVOIPYNSKNDLD-DOMZBBRYSA-N 1 0 382.302 2.836 10 0 GFAERO Cn1ncc(Br)c1CN(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000261992494 553163972 /nfs/dbraw/zinc/16/39/72/553163972.db2.gz SMVUWWIXWINFPP-AWEZNQCLSA-N 1 0 396.358 2.783 10 0 GFAERO C[C@@H]1CN(C(=O)c2scc(Br)c2Br)C[C@@H]1C[NH3+] ZINC000638906997 565217058 /nfs/dbraw/zinc/21/70/58/565217058.db2.gz WTNFAJVRUWBWAS-RQJHMYQMSA-N 1 0 382.121 2.940 10 0 GFAERO COC(=O)c1cc2c(cc1F)[C@@H]([NH3+])C[C@@]1(CCN(C(=O)OC(C)(C)C)C1)O2 ZINC000725260143 570308277 /nfs/dbraw/zinc/30/82/77/570308277.db2.gz NGPXGZMLKZJRKR-IFXJQAMLSA-N 1 0 380.416 2.774 10 0 GFAERO Cc1ccccc1C[N@H+](CCN1CCOCC1)C[C@H](O)COc1ccccc1 ZINC000036031465 570517833 /nfs/dbraw/zinc/51/78/33/570517833.db2.gz XBGUNHLPXRDYKM-QFIPXVFZSA-N 1 0 384.520 2.569 10 0 GFAERO Cc1cccc(C(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccc(C)c(C)c2)c1 ZINC000033032907 570670129 /nfs/dbraw/zinc/67/01/29/570670129.db2.gz LPKPHYDJAUBCCB-UHFFFAOYSA-N 1 0 379.504 2.686 10 0 GFAERO CN1Cc2ccccc2C[C@H]1C[NH2+]Cc1cn(CCC(N)=O)c2ccccc12 ZINC000055370408 570693422 /nfs/dbraw/zinc/69/34/22/570693422.db2.gz DCROZSXVXITGNP-FQEVSTJZSA-N 1 0 376.504 2.663 10 0 GFAERO COc1ccc(C(=O)N2CCc3ccc(C(=O)NC4CC[NH+](C)CC4)cc32)cc1 ZINC000065210336 570730531 /nfs/dbraw/zinc/73/05/31/570730531.db2.gz MZGCIQNMFNWDDL-UHFFFAOYSA-N 1 0 393.487 2.722 10 0 GFAERO [NH3+]CCc1nc2ccccc2c(NCc2ccccc2CN2CCCC2=O)n1 ZINC000065528147 570771624 /nfs/dbraw/zinc/77/16/24/570771624.db2.gz QVFWEKCTSJKFSW-UHFFFAOYSA-N 1 0 375.476 2.866 10 0 GFAERO c1ccc2c(c1)nnn2O[PH](N1CCCC1)(N1CCCC1)[NH+]1CCCC1 ZINC000043943125 570842827 /nfs/dbraw/zinc/84/28/27/570842827.db2.gz GHJCENFGIRFNPA-UHFFFAOYSA-N 1 0 376.445 2.557 10 0 GFAERO Cn1cc([C@H]2CCC[N@@H+]2Cn2nc(Br)c(=O)c3ccccc32)cn1 ZINC000124126295 654771188 /nfs/dbraw/zinc/77/11/88/654771188.db2.gz NLYVVIBCFNFNDF-CQSZACIVSA-N 1 0 388.269 2.687 10 0 GFAERO Cn1cc(C[N@@H+]2CCCN(C[C@H](O)c3ccc(Cl)cc3Cl)CC2)cn1 ZINC000134324046 654990674 /nfs/dbraw/zinc/99/06/74/654990674.db2.gz SOJSPSYLEFPUMS-SFHVURJKSA-N 1 0 383.323 2.968 10 0 GFAERO CCOCCN1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@@H]1C ZINC000106110930 655103002 /nfs/dbraw/zinc/10/30/02/655103002.db2.gz BSDQHBJGKNZHKK-HNNXBMFYSA-N 1 0 398.345 2.820 10 0 GFAERO CC[C@H]1CN(C(=O)Cc2csc(-c3cccs3)n2)CC[N@@H+]1C[C@@H](C)O ZINC000174605943 655205245 /nfs/dbraw/zinc/20/52/45/655205245.db2.gz GHYWWYWLMXNNHG-HIFRSBDPSA-N 1 0 379.551 2.718 10 0 GFAERO Cc1cc(CCC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1Br ZINC000176185702 655238867 /nfs/dbraw/zinc/23/88/67/655238867.db2.gz LSLQAOBCPCDVJJ-LSDHHAIUSA-N 1 0 383.330 2.604 10 0 GFAERO CC[C@H]1CN(C(=O)CCc2ccc(Br)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000176499960 655247919 /nfs/dbraw/zinc/24/79/19/655247919.db2.gz YFIQECYTZSSGLW-PBHICJAKSA-N 1 0 383.330 2.685 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)CCO1 ZINC000116796447 655253996 /nfs/dbraw/zinc/25/39/96/655253996.db2.gz MHPDCVAHFXMVME-SNVBAGLBSA-N 1 0 381.687 2.815 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(Br)c(C)c1 ZINC000176898100 655259666 /nfs/dbraw/zinc/25/96/66/655259666.db2.gz DCKWWEJGKPNHIN-CQSZACIVSA-N 1 0 382.302 2.639 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1c(C)cc(Br)cc1C ZINC000176903696 655260345 /nfs/dbraw/zinc/26/03/45/655260345.db2.gz OZXXIZMBOFOLSI-HNNXBMFYSA-N 1 0 396.329 2.947 10 0 GFAERO CCOCC[N@@H+]1CCN(C(=O)Nc2cccc(Br)n2)C[C@H]1CC ZINC000188481972 655380129 /nfs/dbraw/zinc/38/01/29/655380129.db2.gz XQFITRFBJBHZRT-CYBMUJFWSA-N 1 0 385.306 2.809 10 0 GFAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000193651333 655411539 /nfs/dbraw/zinc/41/15/39/655411539.db2.gz CXMWTNVFAYFDHE-XZJROXQQSA-N 1 0 384.307 2.855 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000245906414 655428681 /nfs/dbraw/zinc/42/86/81/655428681.db2.gz UEWQNAHEFXAFFZ-STQMWFEESA-N 1 0 387.889 2.804 10 0 GFAERO COC[C@H]([NH3+])C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000262349071 655445233 /nfs/dbraw/zinc/44/52/33/655445233.db2.gz UGGIGJKVMGSYCB-SKDRFNHKSA-N 1 0 384.299 2.724 10 0 GFAERO [NH3+]C1CC(CNS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 ZINC000715113482 655522911 /nfs/dbraw/zinc/52/29/11/655522911.db2.gz FZVRKYAIWOFMOI-UHFFFAOYSA-N 1 0 388.114 2.772 10 0 GFAERO C[C@@H](O)C[N@@H+]1CCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)C[C@@H]1C ZINC000120634553 677397481 /nfs/dbraw/zinc/39/74/81/677397481.db2.gz IUINWRDBKVGEMD-UONOGXRCSA-N 1 0 393.329 2.726 10 0 GFAERO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1 ZINC000013553590 206295421 /nfs/dbraw/zinc/29/54/21/206295421.db2.gz CJHLRGCXPGIPCB-MOPGFXCFSA-N 1 0 385.895 2.517 10 0 in-vivo GFAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(I)ccc1OC ZINC000033834820 206304305 /nfs/dbraw/zinc/30/43/05/206304305.db2.gz JHMTYLJMPBFCTD-GFCCVEGCSA-N 1 0 388.249 2.514 10 0 GFAERO CC1=C(C(=O)OCC[NH3+])[C@@H](c2ccccc2C(F)(F)F)C([N+](=O)[O-])=C(C)N1 ZINC000031541811 206302979 /nfs/dbraw/zinc/30/29/79/206302979.db2.gz RCJFYGYHESLEHK-CQSZACIVSA-N 1 0 385.342 2.676 10 0 GFAERO CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]Cc1ccco1)CC2 ZINC000014539748 207024280 /nfs/dbraw/zinc/02/42/80/207024280.db2.gz ZIJNYIITJCAUID-KRWDZBQOSA-N 1 0 378.476 2.932 10 0 GFAERO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc3c(c2)CCO3)C1 ZINC000095504345 208205285 /nfs/dbraw/zinc/20/52/85/208205285.db2.gz UFYULJINAQOWOU-IBGZPJMESA-N 1 0 382.508 2.790 10 0 GFAERO CC(C)C[C@@H]1C[N@@H+](C2CCN(c3cccc(N4CCNC4=O)c3)CC2)CCO1 ZINC000063835199 136156433 /nfs/dbraw/zinc/15/64/33/136156433.db2.gz IXPSQLJOMHETCH-OAQYLSRUSA-N 1 0 386.540 2.932 10 0 GFAERO CC(C)(C)OC(=O)N1CC[NH2+][C@@H]2CCN(C(=O)OCc3ccccc3)CC[C@H]21 ZINC000309946298 526410070 /nfs/dbraw/zinc/41/00/70/526410070.db2.gz KNPRWOAPSCCIED-QZTJIDSGSA-N 1 0 389.496 2.997 10 0 GFAERO CC[C@@H]1CN(C(=O)NCc2cc(Br)cs2)CC[N@@H+]1CCOC ZINC000117481009 551214232 /nfs/dbraw/zinc/21/42/32/551214232.db2.gz ZQPMVVYEDZUXGG-CYBMUJFWSA-N 1 0 390.347 2.763 10 0 GFAERO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000150939314 551404300 /nfs/dbraw/zinc/40/43/00/551404300.db2.gz ZJNNGNOFRAUTOQ-INIZCTEOSA-N 1 0 380.275 2.960 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2Br)C1 ZINC000154992935 551488256 /nfs/dbraw/zinc/48/82/56/551488256.db2.gz BHKKYNQEZNNGSJ-NSHDSACASA-N 1 0 388.693 2.642 10 0 GFAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000170866853 551641450 /nfs/dbraw/zinc/64/14/50/551641450.db2.gz OFHJEFOQEADXOH-CVEARBPZSA-N 1 0 384.307 2.761 10 0 GFAERO Cc1nc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)nn1-c1c(Cl)cccc1Cl ZINC000170877308 551642456 /nfs/dbraw/zinc/64/24/56/551642456.db2.gz TVOMZESRSFXCOM-LBPRGKRZSA-N 1 0 380.279 2.803 10 0 GFAERO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172120076 551671038 /nfs/dbraw/zinc/67/10/38/551671038.db2.gz CYIGQDVMIRXKQE-CQSZACIVSA-N 1 0 393.260 2.694 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2cc(F)ccc2SCC(F)F)CCO1 ZINC000175378705 552120591 /nfs/dbraw/zinc/12/05/91/552120591.db2.gz XMWNFBPSICJUDT-GFCCVEGCSA-N 1 0 377.432 2.977 10 0 GFAERO Cc1cc(I)cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000178113276 552164754 /nfs/dbraw/zinc/16/47/54/552164754.db2.gz PZQMLFJNLPOFMR-AWEZNQCLSA-N 1 0 384.261 2.828 10 0 GFAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000178319397 552169047 /nfs/dbraw/zinc/16/90/47/552169047.db2.gz LXXXWWWDUHDSHH-IRXDYDNUSA-N 1 0 394.313 2.858 10 0 GFAERO COc1cc(C)c(Br)cc1NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000184582308 552339461 /nfs/dbraw/zinc/33/94/61/552339461.db2.gz PVMAKJYMRIKPFA-GFCCVEGCSA-N 1 0 386.290 2.560 10 0 GFAERO C[C@@H](NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)c1cccc(Br)c1 ZINC000185515536 552365280 /nfs/dbraw/zinc/36/52/80/552365280.db2.gz SPNKXFSHCZDJGI-LSDHHAIUSA-N 1 0 397.361 2.835 10 0 GFAERO Cc1cc(Br)cc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000188130058 552436077 /nfs/dbraw/zinc/43/60/77/552436077.db2.gz XDQKFYCQIISTBG-WFASDCNBSA-N 1 0 382.302 2.541 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2cc(Br)c(F)cc2F)CCO1 ZINC000189062792 552461863 /nfs/dbraw/zinc/46/18/63/552461863.db2.gz ICKPFXKSOQWIRW-SECBINFHSA-N 1 0 378.217 2.522 10 0 GFAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cncc(Br)c2)C1 ZINC000190574306 552501859 /nfs/dbraw/zinc/50/18/59/552501859.db2.gz WZWZVNKTUAALBD-HNNXBMFYSA-N 1 0 389.297 2.833 10 0 GFAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc(Br)cn2)C1 ZINC000190589585 552502314 /nfs/dbraw/zinc/50/23/14/552502314.db2.gz NMZJLOSNORILTA-OAHLLOKOSA-N 1 0 389.297 2.833 10 0 GFAERO C[C@@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000192655748 552568211 /nfs/dbraw/zinc/56/82/11/552568211.db2.gz NXOQIKCZRFGFRA-VXGBXAGGSA-N 1 0 381.885 2.665 10 0 GFAERO C[C@@H]([NH3+])CCNS(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000193254486 552987743 /nfs/dbraw/zinc/98/77/43/552987743.db2.gz SFFQSVWKPXLONX-ZCFIWIBFSA-N 1 0 376.103 2.772 10 0 GFAERO Cn1cc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(Br)cc2)cn1 ZINC000245840386 553097933 /nfs/dbraw/zinc/09/79/33/553097933.db2.gz GFMFBTJFIDIIJE-NVXWUHKLSA-N 1 0 380.286 2.759 10 0 GFAERO CCOCCN1CCN(S(=O)(=O)c2cc(C)c(F)cc2Cl)C[C@H]1C ZINC000246039163 553101791 /nfs/dbraw/zinc/10/17/91/553101791.db2.gz RKLFTSBPVYAUQJ-CYBMUJFWSA-N 1 0 378.897 2.519 10 0 GFAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000246165254 553104178 /nfs/dbraw/zinc/10/41/78/553104178.db2.gz MEXISAVLXHBZNW-GXFFZTMASA-N 1 0 379.295 2.595 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1I ZINC000246336948 553106566 /nfs/dbraw/zinc/10/65/66/553106566.db2.gz BYCINPJCTRGNHQ-NEPJUHHUSA-N 1 0 385.249 2.992 10 0 GFAERO COc1ccc(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1Br ZINC000246974090 553116793 /nfs/dbraw/zinc/11/67/93/553116793.db2.gz DSHMYRKOBDLELO-JSGCOSHPSA-N 1 0 382.302 2.836 10 0 GFAERO COCCN1CCN(C(=O)N[C@H](C)c2ccccc2Br)C[C@H]1C ZINC000247208838 553119589 /nfs/dbraw/zinc/11/95/89/553119589.db2.gz UKTVJKJQHLEIJD-ZIAGYGMSSA-N 1 0 384.318 2.872 10 0 GFAERO Cc1ccc(N2CCCN(C[C@@H](O)c3cccc(Br)c3)CC2)nn1 ZINC000247569969 553124033 /nfs/dbraw/zinc/12/40/33/553124033.db2.gz HBLVKHPECYUDJL-QGZVFWFLSA-N 1 0 391.313 2.793 10 0 GFAERO C[C@H](NC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C)c1ccc(Br)cc1 ZINC000247559238 553124049 /nfs/dbraw/zinc/12/40/49/553124049.db2.gz ZXFDGCXKKUCXPD-KEYYUXOJSA-N 1 0 380.330 2.795 10 0 GFAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc(I)cc1 ZINC000252661798 553150449 /nfs/dbraw/zinc/15/04/49/553150449.db2.gz POGPQPYSNACPLU-WFASDCNBSA-N 1 0 384.261 2.990 10 0 GFAERO COc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1Cl ZINC000261676414 553156001 /nfs/dbraw/zinc/15/60/01/553156001.db2.gz JOPRUYWOXFSCSK-ZBFHGGJFSA-N 1 0 380.897 2.712 10 0 GFAERO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261719050 553157371 /nfs/dbraw/zinc/15/73/71/553157371.db2.gz JXBTWALXKDJRJB-TZMCWYRMSA-N 1 0 382.302 2.577 10 0 GFAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(Oc2cccc(Br)c2)cc1 ZINC000262313550 553168669 /nfs/dbraw/zinc/16/86/69/553168669.db2.gz QRPNRECJWIMHSK-GUYCJALGSA-N 1 0 391.265 2.552 10 0 GFAERO COc1ccc(CNC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)cc1Br ZINC000263535307 553188938 /nfs/dbraw/zinc/18/89/38/553188938.db2.gz YXSBXBQSSOAEMX-UHFFFAOYSA-N 1 0 397.313 2.875 10 0 GFAERO [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2ccccc2c1 ZINC000002579360 560188241 /nfs/dbraw/zinc/18/82/41/560188241.db2.gz OCFNAQIEUDCHBL-NRFANRHFSA-N 1 0 386.455 2.946 10 0 in-vitro GFAERO C[C@@H]([NH3+])CCNC(=O)c1ccc(I)c(Br)c1 ZINC000584052260 564917968 /nfs/dbraw/zinc/91/79/68/564917968.db2.gz ZHEYOTMQWDVUJT-SSDOTTSWSA-N 1 0 397.054 2.521 10 0 GFAERO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@@H]1C[NH3+] ZINC000602592235 565856248 /nfs/dbraw/zinc/85/62/48/565856248.db2.gz IEPFKSXDSPXDKG-BDAKNGLRSA-N 1 0 378.641 2.611 10 0 GFAERO Cc1c(C[NH2+][C@@H](CO)Cc2ccc(Cl)cc2)c2ccccc2n1CC(N)=O ZINC000055307848 570690661 /nfs/dbraw/zinc/69/06/61/570690661.db2.gz WIRPSYGBQJMEOF-QGZVFWFLSA-N 1 0 385.895 2.782 10 0 GFAERO Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000012453468 570724582 /nfs/dbraw/zinc/72/45/82/570724582.db2.gz CUAWMOARKYEFHW-HXUWFJFHSA-N 1 0 399.922 2.698 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccccc1I ZINC000133056914 654953491 /nfs/dbraw/zinc/95/34/91/654953491.db2.gz DPFSOIQYZYEAES-TZMCWYRMSA-N 1 0 384.261 2.529 10 0 GFAERO CCOCC[N@@H+]1CCN(CC(=O)Nc2ccc(Br)cc2)C[C@@H]1CC ZINC000106119784 655103795 /nfs/dbraw/zinc/10/37/95/655103795.db2.gz BGUPBPKSVXVGOL-KRWDZBQOSA-N 1 0 398.345 2.820 10 0 GFAERO CN(C(=O)c1sccc1Br)C1CC[NH+](CCn2cccn2)CC1 ZINC000109292257 655144400 /nfs/dbraw/zinc/14/44/00/655144400.db2.gz FCZAUJMXBCJEQS-UHFFFAOYSA-N 1 0 397.342 2.944 10 0 GFAERO CN(C(=O)c1nc(Cl)ccc1Cl)C1CC[NH+](CCn2cccn2)CC1 ZINC000109291527 655144451 /nfs/dbraw/zinc/14/44/51/655144451.db2.gz WHILEIMWYIYHNP-UHFFFAOYSA-N 1 0 382.295 2.822 10 0 GFAERO CCOCCN1CCN(S(=O)(=O)c2ccc(Cl)nc2Cl)C[C@@H]1CC ZINC000172030338 655155980 /nfs/dbraw/zinc/15/59/80/655155980.db2.gz ZMLWODYVCMRKNU-LBPRGKRZSA-N 1 0 396.340 2.510 10 0 GFAERO CC[C@@H]1CN(C(=O)CCc2ccc(Br)c(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000176279249 655243314 /nfs/dbraw/zinc/24/33/14/655243314.db2.gz QYEASUOZCRLHSD-NVXWUHKLSA-N 1 0 397.357 2.994 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(F)cc2I)C1 ZINC000117706040 655267001 /nfs/dbraw/zinc/26/70/01/655267001.db2.gz MWYUDFCIAOXDLF-LLVKDONJSA-N 1 0 376.213 2.644 10 0 GFAERO COCC[N@@H+]1CCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)C[C@H]1C ZINC000120826668 655344850 /nfs/dbraw/zinc/34/48/50/655344850.db2.gz LFFAUOMTAGOHAU-CQSZACIVSA-N 1 0 393.329 2.992 10 0 GFAERO [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000193290357 655409141 /nfs/dbraw/zinc/40/91/41/655409141.db2.gz XURLGUOCVKOCRH-HQJQHLMTSA-N 1 0 385.686 2.647 10 0 GFAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000193582802 655411099 /nfs/dbraw/zinc/41/10/99/655411099.db2.gz VOGJBLYMLQTRCF-CZUORRHYSA-N 1 0 384.929 2.683 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000245906409 655428719 /nfs/dbraw/zinc/42/87/19/655428719.db2.gz UEWQNAHEFXAFFZ-OLZOCXBDSA-N 1 0 387.889 2.804 10 0 GFAERO CN(CCc1ccc(Br)cc1)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000246322128 655429770 /nfs/dbraw/zinc/42/97/70/655429770.db2.gz ILZSYYBZQDXRGE-HZPDHXFCSA-N 1 0 377.282 2.832 10 0 GFAERO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)sc2C)s1 ZINC000262645341 655446521 /nfs/dbraw/zinc/44/65/21/655446521.db2.gz SJIRXMMVSIDHAV-NWDGAFQWSA-N 1 0 378.523 2.882 10 0 GFAERO CNC(=O)c1ccc([C@@H]2CCCN2c2nc(CC[NH3+])nc3ccccc32)s1 ZINC000065504956 209136516 /nfs/dbraw/zinc/13/65/16/209136516.db2.gz PBDLKSGSYQNMMJ-HNNXBMFYSA-N 1 0 381.505 2.894 10 0 GFAERO Cc1nn(C)c2ncc(C[NH2+]C[C@@H]3CCc4nc(C(F)(F)F)cn4C3)cc12 ZINC000328651793 206238250 /nfs/dbraw/zinc/23/82/50/206238250.db2.gz WAWXRBMQZLWATJ-LBPRGKRZSA-N 1 0 378.402 2.844 10 0 GFAERO O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NCCC[NH+]1CCCCC1 ZINC000003005989 206451771 /nfs/dbraw/zinc/45/17/71/206451771.db2.gz IOJXNPPMPQSTNS-UHFFFAOYSA-N 1 0 388.899 2.556 10 0 GFAERO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([C@H]2CC[N@H+](CC(C)(C)C)C2)CC1 ZINC000014948892 207032542 /nfs/dbraw/zinc/03/25/42/207032542.db2.gz XAAPWOVWGWTHQK-KRWDZBQOSA-N 1 0 382.574 2.795 10 0 GFAERO Cc1cnc(CN2C[C@@]3(CCC[N@H+](Cc4ncccc4C)C3)CCC2=O)cn1 ZINC000077564058 208049959 /nfs/dbraw/zinc/04/99/59/208049959.db2.gz GMJNAOWSPMQEID-QFIPXVFZSA-N 1 0 379.508 2.893 10 0 GFAERO Cc1nc2sc(C(N)=O)c(N)c2c(C)c1Cc1ccc(C2=[NH+]CCN2)cc1 ZINC000211802179 208816685 /nfs/dbraw/zinc/81/66/85/208816685.db2.gz WWZLETYETSNOBW-UHFFFAOYSA-N 1 0 379.489 2.535 10 0 GFAERO CC[C@@H](C)n1ncn(-c2ccccc2N2CC[NH2+]C[C@@H]2c2ccc(O)cc2)c1=O ZINC000049588652 136177601 /nfs/dbraw/zinc/17/76/01/136177601.db2.gz XNFBJDRHEJLNRV-IIBYNOLFSA-N 1 0 393.491 2.862 10 0 GFAERO Brc1cc2c(c(C[N@@H+]3CCC[C@H](Cn4cncn4)C3)c1)OCC2 ZINC000153686784 551458698 /nfs/dbraw/zinc/45/86/98/551458698.db2.gz WYRRNTNVOFDMAT-ZDUSSCGKSA-N 1 0 377.286 2.888 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Cl)ccc2Br)C1 ZINC000154993041 551488148 /nfs/dbraw/zinc/48/81/48/551488148.db2.gz BHKKYNQEZNNGSJ-LLVKDONJSA-N 1 0 388.693 2.642 10 0 GFAERO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCS(=O)(=O)N1CCSCC1 ZINC000155776522 551507742 /nfs/dbraw/zinc/50/77/42/551507742.db2.gz UCZNUESYVRAPES-KGLIPLIRSA-N 1 0 399.607 2.757 10 0 GFAERO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000170834059 551640931 /nfs/dbraw/zinc/64/09/31/551640931.db2.gz QFZKJIXSRPSQHR-WMLDXEAASA-N 1 0 395.345 2.621 10 0 GFAERO Cn1cc([C@H]2CCC[N@@H+]2C[C@H](O)COc2cccc(Br)c2)cn1 ZINC000171410621 551654476 /nfs/dbraw/zinc/65/44/76/551654476.db2.gz PJBOIANJOBGGIQ-DOTOQJQBSA-N 1 0 380.286 2.759 10 0 GFAERO O[C@@H](COc1cccc(Br)c1)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172644528 551683539 /nfs/dbraw/zinc/68/35/39/551683539.db2.gz OVYMGNNANJXEBC-NVXWUHKLSA-N 1 0 383.330 2.607 10 0 GFAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(F)c(Br)c3)C2=O)n(C)n1 ZINC000173851907 552094010 /nfs/dbraw/zinc/09/40/10/552094010.db2.gz NPMMSLIMHVFURM-HNNXBMFYSA-N 1 0 395.276 2.915 10 0 GFAERO COc1c(C[NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)c(C)nn1C ZINC000174461298 552104475 /nfs/dbraw/zinc/10/44/75/552104475.db2.gz ABJOXGDLZTVJGA-UHFFFAOYSA-N 1 0 378.782 2.973 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000174960706 552112930 /nfs/dbraw/zinc/11/29/30/552112930.db2.gz DILMQJLWIMISHU-ZIAGYGMSSA-N 1 0 395.297 2.919 10 0 GFAERO Cc1cc(Br)ccc1C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176867020 552147801 /nfs/dbraw/zinc/14/78/01/552147801.db2.gz ZYUOQEXKTOWDTB-CQSZACIVSA-N 1 0 383.330 2.922 10 0 GFAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(OC(F)F)c(Br)c2)C[C@@H]1C ZINC000180084959 552212633 /nfs/dbraw/zinc/21/26/33/552212633.db2.gz MJDSFJGPDLQYNQ-NWDGAFQWSA-N 1 0 393.272 2.937 10 0 GFAERO Cc1ccc(NC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c(Br)n1 ZINC000181245909 552251234 /nfs/dbraw/zinc/25/12/34/552251234.db2.gz ZQHVRGBNPWDVEP-ZDUSSCGKSA-N 1 0 399.333 2.709 10 0 GFAERO C[C@H](NC(=O)N(C)CCCN1CC[NH+](C)CC1)c1ccccc1Br ZINC000182210747 552278372 /nfs/dbraw/zinc/27/83/72/552278372.db2.gz KRVCPAIKUNBHIQ-HNNXBMFYSA-N 1 0 397.361 2.789 10 0 GFAERO Cc1cc(Br)c(F)cc1NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000184850426 552345924 /nfs/dbraw/zinc/34/59/24/552345924.db2.gz MTQZSIIRKITNGN-LBPRGKRZSA-N 1 0 388.281 2.865 10 0 GFAERO CC[C@@H]1CN(Cc2nc3cc(Br)ccc3[nH]2)CC[N@@H+]1C[C@@H](C)O ZINC000184966934 552349673 /nfs/dbraw/zinc/34/96/73/552349673.db2.gz GIKKNSHNCFKNBW-TZMCWYRMSA-N 1 0 381.318 2.602 10 0 GFAERO O[C@H](C[N@@H+]1CCC[C@H](Cn2cncn2)C1)c1ccc(F)c(Br)c1 ZINC000185008492 552350924 /nfs/dbraw/zinc/35/09/24/552350924.db2.gz YVZYSRCJQYOTJI-BLLLJJGKSA-N 1 0 383.265 2.625 10 0 GFAERO Cc1c(Br)cccc1CC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000188718241 552453104 /nfs/dbraw/zinc/45/31/04/552453104.db2.gz ZUFWIDURVZUIPG-AWEZNQCLSA-N 1 0 397.357 2.851 10 0 GFAERO C[C@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000189822652 552480798 /nfs/dbraw/zinc/48/07/98/552480798.db2.gz ZNZQZXDZPRXZMO-JTQLQIEISA-N 1 0 375.359 2.955 10 0 GFAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(N)nc(Cl)c2)C1 ZINC000190537920 552500246 /nfs/dbraw/zinc/50/02/46/552500246.db2.gz PFFLDPDYEQSOEY-LBPRGKRZSA-N 1 0 379.917 2.676 10 0 GFAERO CCc1nc(CC(=O)N2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)cs1 ZINC000190554804 552500993 /nfs/dbraw/zinc/50/09/93/552500993.db2.gz YIUIGZHNQKIPDW-AWEZNQCLSA-N 1 0 378.567 2.993 10 0 GFAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cccnc2Br)C1 ZINC000190593227 552502394 /nfs/dbraw/zinc/50/23/94/552502394.db2.gz XZTNBKVZYVHVCH-HNNXBMFYSA-N 1 0 389.297 2.833 10 0 GFAERO C[C@H](NC(=O)CN1CC[N@@H+]2CCCC[C@H]2C1)c1ccc(Br)cc1 ZINC000246150129 553103263 /nfs/dbraw/zinc/10/32/63/553103263.db2.gz GAZVUNYSWXDLQC-YOEHRIQHSA-N 1 0 380.330 2.796 10 0 GFAERO C[C@@H](NC(=O)CN1CC[N@@H+]2CCCC[C@H]2C1)c1ccc(Br)cc1 ZINC000246150122 553103542 /nfs/dbraw/zinc/10/35/42/553103542.db2.gz GAZVUNYSWXDLQC-PBHICJAKSA-N 1 0 380.330 2.796 10 0 GFAERO C[C@@H]1Cc2cc(S(=O)(=O)N3CCC[C@H]3Cn3ccnc3)cc(Cl)c2O1 ZINC000246241126 553105077 /nfs/dbraw/zinc/10/50/77/553105077.db2.gz RSLSXKZWUSZYIX-OCCSQVGLSA-N 1 0 381.885 2.713 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000246238947 553105349 /nfs/dbraw/zinc/10/53/49/553105349.db2.gz RKDZCZMSQUPGQC-OLZOCXBDSA-N 1 0 378.416 2.833 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000246758441 553112798 /nfs/dbraw/zinc/11/27/98/553112798.db2.gz ALIOEFNLTOMJNK-JQWIXIFHSA-N 1 0 393.734 2.960 10 0 GFAERO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246926689 553115944 /nfs/dbraw/zinc/11/59/44/553115944.db2.gz ZDRQRYWPFGAQJC-HLLBOEOZSA-N 1 0 397.357 2.931 10 0 GFAERO Cc1ccc([C@H](CNC(=O)N2CCS[C@H](C)[C@H]2C)N2CCOCC2)s1 ZINC000248371905 553128744 /nfs/dbraw/zinc/12/87/44/553128744.db2.gz ZGSHXVHQMJTTEA-OAGGEKHMSA-N 1 0 383.583 2.965 10 0 GFAERO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2nccs2)C1 ZINC000248641117 553132696 /nfs/dbraw/zinc/13/26/96/553132696.db2.gz CJPMAJKGQMSIQT-KGLIPLIRSA-N 1 0 379.555 2.689 10 0 GFAERO OC[C@@H]1C[N@H+](C[C@H](O)COCc2ccc(Cl)cc2)C[C@H]1c1ccsc1 ZINC000249538569 553144174 /nfs/dbraw/zinc/14/41/74/553144174.db2.gz DDURUEJYFUOYEN-WDSOQIARSA-N 1 0 381.925 2.987 10 0 GFAERO CC[C@@H]1CN(C(=O)Cc2cccc(Br)c2C)CC[N@@H+]1C[C@H](C)O ZINC000249713141 553145783 /nfs/dbraw/zinc/14/57/83/553145783.db2.gz ZHPONOYNHANFLR-XJKSGUPXSA-N 1 0 383.330 2.604 10 0 GFAERO C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)Oc1ccc(Br)cc1 ZINC000261934795 553162924 /nfs/dbraw/zinc/16/29/24/553162924.db2.gz MCTMVVNHXZONAZ-PILAGYSTSA-N 1 0 383.330 2.963 10 0 GFAERO CNC(=O)C[NH+]1CCC(CN(C)c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000301370177 563401484 /nfs/dbraw/zinc/40/14/84/563401484.db2.gz PPFJQAUYJLKECK-UHFFFAOYSA-N 1 0 378.826 2.648 10 0 GFAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(Cl)ccc1I ZINC000405629401 563539609 /nfs/dbraw/zinc/53/96/09/563539609.db2.gz YRMLLVFEBNCELM-QPUJVOFHSA-N 1 0 378.641 2.701 10 0 GFAERO Cc1ccccc1C[N@H+](CCN1CCOCC1)C[C@@H](O)COc1ccccc1 ZINC000036031467 570517789 /nfs/dbraw/zinc/51/77/89/570517789.db2.gz XBGUNHLPXRDYKM-JOCHJYFZSA-N 1 0 384.520 2.569 10 0 GFAERO Cc1noc([C@@H]2CCC[N@H+](C[C@H](O)COc3cccc(Br)c3)C2)n1 ZINC000052863741 654740974 /nfs/dbraw/zinc/74/09/74/654740974.db2.gz QGSOADMXXNEGBA-HIFRSBDPSA-N 1 0 396.285 2.760 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1cccc(I)c1 ZINC000123044429 654751274 /nfs/dbraw/zinc/75/12/74/654751274.db2.gz PGVYQTDPKNGXJW-IUODEOHRSA-N 1 0 384.261 2.529 10 0 GFAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000068222906 654957805 /nfs/dbraw/zinc/95/78/05/654957805.db2.gz FTNBNIUPXRFBHF-INIZCTEOSA-N 1 0 398.345 2.662 10 0 GFAERO Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CN2CCO[C@H](C[NH+](C)C)C2)n1 ZINC000152978707 655063525 /nfs/dbraw/zinc/06/35/25/655063525.db2.gz VWEXDEQJFXMMOO-CQSZACIVSA-N 1 0 384.311 2.780 10 0 GFAERO COCC[N@@H+]1CCN(Cc2ccc(OC)c(OC)c2Br)C[C@H]1C ZINC000106106948 655102776 /nfs/dbraw/zinc/10/27/76/655102776.db2.gz OVAXEWRVEBPQEC-CYBMUJFWSA-N 1 0 387.318 2.619 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000173553903 655174595 /nfs/dbraw/zinc/17/45/95/655174595.db2.gz WNPGUSJYXTZCKB-VXGBXAGGSA-N 1 0 376.448 2.973 10 0 GFAERO CC[C@@H](O)C[NH+]1CCN(Cc2coc(-c3ccc(Br)cc3)n2)CC1 ZINC000174078672 655191583 /nfs/dbraw/zinc/19/15/83/655191583.db2.gz YPMDPKJKSKSBAQ-QGZVFWFLSA-N 1 0 394.313 2.993 10 0 GFAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000112548413 655193327 /nfs/dbraw/zinc/19/33/27/655193327.db2.gz HPJMASYMRPBYBJ-ZYHUDNBSSA-N 1 0 379.810 2.606 10 0 GFAERO C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)Oc1ccccc1Br ZINC000175975024 655230369 /nfs/dbraw/zinc/23/03/69/655230369.db2.gz URJONOPFOLSZCH-UONOGXRCSA-N 1 0 382.302 2.706 10 0 GFAERO CC[C@@H]1CN(C(=O)Cc2csc(-c3cccs3)n2)CC[N@@H+]1CCOC ZINC000117303927 655263705 /nfs/dbraw/zinc/26/37/05/655263705.db2.gz SGMKWIHVTSQABC-OAHLLOKOSA-N 1 0 379.551 2.983 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(F)cc2I)C1 ZINC000117706037 655267017 /nfs/dbraw/zinc/26/70/17/655267017.db2.gz MWYUDFCIAOXDLF-NSHDSACASA-N 1 0 376.213 2.644 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc(Br)ccc1C ZINC000118670291 655280414 /nfs/dbraw/zinc/28/04/14/655280414.db2.gz NSMCCBCQSHODBG-AWEZNQCLSA-N 1 0 375.332 2.862 10 0 GFAERO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(Br)cs1 ZINC000119690767 655311285 /nfs/dbraw/zinc/31/12/85/655311285.db2.gz VRONTTZDXKJWIW-HNNXBMFYSA-N 1 0 395.322 2.660 10 0 GFAERO OCCN1CCC[C@H]([NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000394542742 655402323 /nfs/dbraw/zinc/40/23/23/655402323.db2.gz XJLYNLGHOZOZNE-AWEZNQCLSA-N 1 0 392.135 2.758 10 0 GFAERO Cc1c(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cnn1-c1ccc(Br)cc1 ZINC000193493808 655410492 /nfs/dbraw/zinc/41/04/92/655410492.db2.gz YCAVJEAWSFZTLB-MEDUHNTESA-N 1 0 377.286 2.814 10 0 GFAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000238035324 655426988 /nfs/dbraw/zinc/42/69/88/655426988.db2.gz TUUODIUPNAOAET-XZJROXQQSA-N 1 0 384.307 2.842 10 0 GFAERO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000248844499 655433442 /nfs/dbraw/zinc/43/34/42/655433442.db2.gz HGAMLMVXHKBBSK-RRFJBIMHSA-N 1 0 384.567 2.608 10 0 GFAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000262570398 655446298 /nfs/dbraw/zinc/44/62/98/655446298.db2.gz GTXKCKMWNQXKAB-IUIKQTSFSA-N 1 0 384.307 2.842 10 0 GFAERO C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC(F)(F)CN2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000263039914 655448844 /nfs/dbraw/zinc/44/88/44/655448844.db2.gz SSFVFZVJIPUCKW-KCPJHIHWSA-N 1 0 375.822 2.585 10 0 GFAERO COc1ccccc1N1CC[NH+](CCC2(C)[C@H](O)c3ccccc3[C@H]2O)CC1 ZINC000003619931 206294024 /nfs/dbraw/zinc/29/40/24/206294024.db2.gz SHTPUDPOZXQEMF-FGZHOGPDSA-N 1 0 382.504 2.994 10 0 GFAERO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]Cc1ccncc1)C2 ZINC000014535974 207023503 /nfs/dbraw/zinc/02/35/03/207023503.db2.gz JYXRFCANZUXIEC-GOSISDBHSA-N 1 0 381.524 2.817 10 0 GFAERO O=C(NCC[NH+]1CCC(O)CC1)c1ccc2nc(Cc3ccccc3F)oc2c1 ZINC000015079589 207046890 /nfs/dbraw/zinc/04/68/90/207046890.db2.gz MDUWAURLHXJKAT-UHFFFAOYSA-N 1 0 397.450 2.744 10 0 GFAERO CNC(=O)CC[C@H]1C[N@H+](Cc2cccc3ccccc32)CC[C@H]1N1CCOCC1 ZINC000019743760 207158099 /nfs/dbraw/zinc/15/80/99/207158099.db2.gz GJCCJXUKJQQMOU-JTHBVZDNSA-N 1 0 395.547 2.889 10 0 GFAERO C[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)nc2c(c3Cl)CCC2)CC1 ZINC000020331132 207187741 /nfs/dbraw/zinc/18/77/41/207187741.db2.gz YDNGMVLEYDOMSA-UHFFFAOYSA-N 1 0 386.927 2.744 10 0 GFAERO C[N@H+](Cc1ccccn1)Cc1ccccc1-c1nc([C@H]2CCOC2)cc(=O)[nH]1 ZINC000032573234 207397944 /nfs/dbraw/zinc/39/79/44/207397944.db2.gz HTMCPHVVFLSBSS-KRWDZBQOSA-N 1 0 376.460 2.968 10 0 GFAERO Nc1ncccc1C[NH+]1CCC2(CN(CCOc3ccccc3)C(=O)O2)CC1 ZINC000072432712 208025786 /nfs/dbraw/zinc/02/57/86/208025786.db2.gz UQTDFHSOYHOLFT-UHFFFAOYSA-N 1 0 382.464 2.530 10 0 GFAERO O=C(NCCC1=C[NH2+][C@H]2C=CC(Cl)=C[C@@H]12)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000100723486 208378711 /nfs/dbraw/zinc/37/87/11/208378711.db2.gz QUUMSXNYURVPGJ-WMZOPIPTSA-N 1 0 382.851 2.777 10 0 GFAERO CC[NH+](CC)CCNC(=O)c1ccc(Cn2cc(Br)cn2)cc1 ZINC000027970013 208927313 /nfs/dbraw/zinc/92/73/13/208927313.db2.gz CMJLMLKPZXIGPA-UHFFFAOYSA-N 1 0 379.302 2.766 10 0 GFAERO Cc1cccc(CN2CCN(c3nc(CC[NH3+])nc4ccccc43)[C@H](C)C2=O)c1 ZINC000065493933 136164052 /nfs/dbraw/zinc/16/40/52/136164052.db2.gz DSUIEHPKRJZCTC-QGZVFWFLSA-N 1 0 389.503 2.677 10 0 GFAERO C[C@H]([NH2+][C@@H](C)c1cccc(Br)c1)C(=O)NC(=O)NCC(F)(F)F ZINC000130923884 551370406 /nfs/dbraw/zinc/37/04/06/551370406.db2.gz BEARYHANZGYWGW-IUCAKERBSA-N 1 0 396.207 2.876 10 0 GFAERO C[C@@H](Cc1ccccc1Br)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000152641864 551437466 /nfs/dbraw/zinc/43/74/66/551437466.db2.gz NUCLRPSRDDGASO-GOEBONIOSA-N 1 0 398.345 2.526 10 0 GFAERO CN(Cc1cc(Br)cn1C)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000153533903 551454881 /nfs/dbraw/zinc/45/48/81/551454881.db2.gz XDVZMOCQDODJNC-KRWDZBQOSA-N 1 0 378.314 2.919 10 0 GFAERO C[C@@H]1C[N@H+](Cc2cc(Br)cc3c2OCC3)C[C@@H]1N1CCOCC1 ZINC000154009899 551465370 /nfs/dbraw/zinc/46/53/70/551465370.db2.gz QWGRQYYYPIYDKE-DYVFJYSZSA-N 1 0 381.314 2.537 10 0 GFAERO Cn1cc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc(Br)c1=O ZINC000156186681 551516339 /nfs/dbraw/zinc/51/63/39/551516339.db2.gz NEKZUUSXRRSJRI-HNNXBMFYSA-N 1 0 393.285 2.572 10 0 GFAERO Cn1cc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc(Br)c1=O ZINC000156186803 551516650 /nfs/dbraw/zinc/51/66/50/551516650.db2.gz NEKZUUSXRRSJRI-OAHLLOKOSA-N 1 0 393.285 2.572 10 0 GFAERO CN(C(=O)NCc1ccc(Cl)s1)C1CC[NH+](CCn2cccn2)CC1 ZINC000171758884 551662775 /nfs/dbraw/zinc/66/27/75/551662775.db2.gz JBFRMSTXOPXCBR-UHFFFAOYSA-N 1 0 381.933 2.904 10 0 GFAERO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000176298454 552137992 /nfs/dbraw/zinc/13/79/92/552137992.db2.gz AUQDZTFDMDQKTE-ZDUSSCGKSA-N 1 0 391.265 2.784 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000177027014 552149957 /nfs/dbraw/zinc/14/99/57/552149957.db2.gz USSKHDPXDFLLQZ-CYBMUJFWSA-N 1 0 392.297 2.847 10 0 GFAERO O=S(=O)(Cc1ccc(Cl)cc1Br)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179760594 552202004 /nfs/dbraw/zinc/20/20/04/552202004.db2.gz RYWPMEHUCZZBMZ-CYBMUJFWSA-N 1 0 393.734 2.712 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(Br)cc2C(F)(F)F)CCO1 ZINC000180552416 552229657 /nfs/dbraw/zinc/22/96/57/552229657.db2.gz ARXRXCSFGDEYSK-NSHDSACASA-N 1 0 395.219 2.871 10 0 GFAERO Cn1c(C[NH2+]C(C)(C)COc2ncccc2Br)nnc1C1CC1 ZINC000181513958 552259329 /nfs/dbraw/zinc/25/93/29/552259329.db2.gz YHUAXRPNINAAPR-UHFFFAOYSA-N 1 0 380.290 2.797 10 0 GFAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000184367198 552333791 /nfs/dbraw/zinc/33/37/91/552333791.db2.gz HFMHEJUWPNZXCK-OAHLLOKOSA-N 1 0 383.311 2.927 10 0 GFAERO CC[C@H](Cc1ccccc1Br)[N@H+](C)C[C@H](O)CN1CCCC1=O ZINC000185929112 552374590 /nfs/dbraw/zinc/37/45/90/552374590.db2.gz ZHHNBNOLGMFHGR-CVEARBPZSA-N 1 0 383.330 2.685 10 0 GFAERO C[C@H](C[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1)N1CCOCC1 ZINC000186096059 552378594 /nfs/dbraw/zinc/37/85/94/552378594.db2.gz XBUSANQGLRXKOH-RDTXWAMCSA-N 1 0 391.313 2.639 10 0 GFAERO COc1cc(Br)ccc1CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000187157542 552408251 /nfs/dbraw/zinc/40/82/51/552408251.db2.gz UEHVXJPAQUJWRE-DOMZBBRYSA-N 1 0 384.318 2.986 10 0 GFAERO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)Cc1ccc(Br)cc1 ZINC000189136999 552463838 /nfs/dbraw/zinc/46/38/38/552463838.db2.gz BIISXWLBVWFBBK-HNNXBMFYSA-N 1 0 377.348 2.845 10 0 GFAERO COCCN1CCN(C(=O)Nc2cc(F)cc(F)c2Br)C[C@@H]1C ZINC000190617726 552503258 /nfs/dbraw/zinc/50/32/58/552503258.db2.gz CUGXMEIWKCQCJT-JTQLQIEISA-N 1 0 392.244 2.912 10 0 GFAERO C[C@@H]([NH2+][C@H](C)c1cccs1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000192680633 552971154 /nfs/dbraw/zinc/97/11/54/552971154.db2.gz KVBKLOPPERRJIP-CHWSQXEVSA-N 1 0 381.523 2.676 10 0 GFAERO COc1ccc(Br)cc1S(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000194430774 553020189 /nfs/dbraw/zinc/02/01/89/553020189.db2.gz JXWUYHKGCPRFDT-CYBMUJFWSA-N 1 0 393.347 2.712 10 0 GFAERO COc1ccc(Br)cc1C(=O)CCC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000237109111 553074747 /nfs/dbraw/zinc/07/47/47/553074747.db2.gz SECKADZNDYPYCL-CYBMUJFWSA-N 1 0 383.286 2.760 10 0 GFAERO CC[C@@H]1CN(Cc2cc(Br)c(OC)s2)CC[N@@H+]1C[C@H](C)O ZINC000245766274 553097158 /nfs/dbraw/zinc/09/71/58/553097158.db2.gz QWUPJYUIPFQHPL-NWDGAFQWSA-N 1 0 377.348 2.796 10 0 GFAERO CCn1cnnc1[C@H]1CCC[N@H+](C[C@@H](O)c2cccc(Br)c2)C1 ZINC000246182377 553104048 /nfs/dbraw/zinc/10/40/48/553104048.db2.gz VAEGHOZIHMMWNR-GOEBONIOSA-N 1 0 379.302 2.974 10 0 GFAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000247023690 553117510 /nfs/dbraw/zinc/11/75/10/553117510.db2.gz LXXXWWWDUHDSHH-DLBZAZTESA-N 1 0 394.313 2.858 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000247507197 553123106 /nfs/dbraw/zinc/12/31/06/553123106.db2.gz VNQXRLYHGGDBRW-OCCSQVGLSA-N 1 0 377.337 2.936 10 0 GFAERO C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COc3cccc(Br)c3)CC[C@H]21 ZINC000248034564 553127251 /nfs/dbraw/zinc/12/72/51/553127251.db2.gz REZAPSXVJFPVCJ-UWWQBHOKSA-N 1 0 383.330 2.605 10 0 GFAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)C12CCOCC2 ZINC000248647402 553132590 /nfs/dbraw/zinc/13/25/90/553132590.db2.gz SUUFJQHJMKAUJB-BZUAXINKSA-N 1 0 397.313 2.539 10 0 GFAERO O=S(=O)(c1ccc(Br)cc1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249613732 553145123 /nfs/dbraw/zinc/14/51/23/553145123.db2.gz LLXSQENZKDAVBE-NSHDSACASA-N 1 0 379.707 2.571 10 0 GFAERO COc1c(Br)cc(Br)cc1CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261944126 553163370 /nfs/dbraw/zinc/16/33/70/553163370.db2.gz FBPLVWBQYKNTOZ-PRHODGIISA-N 1 0 378.108 2.999 10 0 GFAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3c(F)ccc(I)c3F)C[C@@H]12 ZINC000262045425 553164880 /nfs/dbraw/zinc/16/48/80/553164880.db2.gz YXMOYNRHGUIXJG-JRKPZEMJSA-N 1 0 378.204 2.739 10 0 GFAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(Cl)ccc1I ZINC000405629397 563539805 /nfs/dbraw/zinc/53/98/05/563539805.db2.gz YRMLLVFEBNCELM-PRHODGIISA-N 1 0 378.641 2.701 10 0 GFAERO C[C@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@H]1C[NH3+] ZINC000638913334 565217947 /nfs/dbraw/zinc/21/79/47/565217947.db2.gz LPRWSQPGKFAUDL-NKWVEPMBSA-N 1 0 382.121 2.940 10 0 GFAERO COc1ccc(C[N@H+](C[C@H](O)COCc2ccco2)C[C@H]2CCCO2)cc1 ZINC000036095267 570534533 /nfs/dbraw/zinc/53/45/33/570534533.db2.gz ISCYMZXRVKVDRZ-AZUAARDMSA-N 1 0 375.465 2.847 10 0 GFAERO COC1(c2nc(-c3ccccn3)no2)CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000583615876 570800981 /nfs/dbraw/zinc/80/09/81/570800981.db2.gz IHOWLQNDWLGLSL-GOSISDBHSA-N 1 0 398.438 2.942 10 0 GFAERO Cc1ccc(Br)c(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000127907476 654837055 /nfs/dbraw/zinc/83/70/55/654837055.db2.gz STYFPMMAPDFZLP-JSGCOSHPSA-N 1 0 375.332 2.765 10 0 GFAERO O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000106184364 655104763 /nfs/dbraw/zinc/10/47/63/655104763.db2.gz ZRXSEXDTTTVXFJ-QGZVFWFLSA-N 1 0 394.313 2.798 10 0 GFAERO O[C@@H](CNCc1nc(-c2ccc(Br)cc2)c[nH]1)C[NH+]1CCCCC1 ZINC000112372710 655190219 /nfs/dbraw/zinc/19/02/19/655190219.db2.gz MBBFPAMKXJFWOH-INIZCTEOSA-N 1 0 393.329 2.776 10 0 GFAERO Cc1nc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)sc1C ZINC000112519057 655193012 /nfs/dbraw/zinc/19/30/12/655193012.db2.gz WBWPORLBJOHOHV-RYUDHWBXSA-N 1 0 381.523 2.841 10 0 GFAERO Brc1ccc2ncc(C[NH2+][C@@H]3CCCN(c4cccnn4)C3)n2c1 ZINC000174361928 655200327 /nfs/dbraw/zinc/20/03/27/655200327.db2.gz WRVVVNAJEISIQY-CQSZACIVSA-N 1 0 387.285 2.645 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000113224055 655205586 /nfs/dbraw/zinc/20/55/86/655205586.db2.gz VDNBEVNZYDEWNO-CZUORRHYSA-N 1 0 389.297 2.944 10 0 GFAERO Cc1ccc(I)c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000113222549 655205621 /nfs/dbraw/zinc/20/56/21/655205621.db2.gz CUWWOPKPLFVZBW-QWHCGFSZSA-N 1 0 384.261 2.908 10 0 GFAERO C[C@H](NC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1ccc(Br)cc1 ZINC000113269978 655206421 /nfs/dbraw/zinc/20/64/21/655206421.db2.gz ZXFDGCXKKUCXPD-JKIFEVAISA-N 1 0 380.330 2.795 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)CCSc2ccccc2Br)CCO1 ZINC000116787830 655253706 /nfs/dbraw/zinc/25/37/06/655253706.db2.gz STRDRRFEXPQZNY-ZDUSSCGKSA-N 1 0 387.343 2.720 10 0 GFAERO COc1cc(Br)cc(C)c1NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116928622 655256764 /nfs/dbraw/zinc/25/67/64/655256764.db2.gz LWENYLLQOZHJSB-CYBMUJFWSA-N 1 0 386.290 2.560 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(Br)c(C)c1 ZINC000176898118 655259824 /nfs/dbraw/zinc/25/98/24/655259824.db2.gz DCKWWEJGKPNHIN-AWEZNQCLSA-N 1 0 382.302 2.639 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000177036778 655265683 /nfs/dbraw/zinc/26/56/83/655265683.db2.gz PJWYOFZEDXJQEM-MRXNPFEDSA-N 1 0 396.329 2.512 10 0 GFAERO CC[C@H]1CN(C(=O)Nc2cnc(Br)c(C)c2)CC[N@@H+]1CCOC ZINC000182414607 655343977 /nfs/dbraw/zinc/34/39/77/655343977.db2.gz MVPARNQMGDOOKK-AWEZNQCLSA-N 1 0 385.306 2.727 10 0 GFAERO OCCN1CCC[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000394542744 655402297 /nfs/dbraw/zinc/40/22/97/655402297.db2.gz XJLYNLGHOZOZNE-CQSZACIVSA-N 1 0 392.135 2.758 10 0 GFAERO COc1cc(Br)c(S(=O)(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1Cl ZINC000237200839 655425856 /nfs/dbraw/zinc/42/58/56/655425856.db2.gz QOMUQPNYGNRWPP-LDYMZIIASA-N 1 0 397.722 2.517 10 0 GFAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000246747422 655430528 /nfs/dbraw/zinc/43/05/28/655430528.db2.gz ZNDXXOGITLURBF-LAKHIVPPSA-N 1 0 387.343 2.581 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C\c1ccc(I)o1 ZINC000255767503 655440485 /nfs/dbraw/zinc/44/04/85/655440485.db2.gz CRILFQGLCKGRAC-UPZNUWHASA-N 1 0 388.249 2.840 10 0 GFAERO Brc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCCN3)C2)cc1 ZINC000261864315 655442812 /nfs/dbraw/zinc/44/28/12/655442812.db2.gz CMOAXHVQNBUHBE-KANFNMMFSA-N 1 0 394.357 2.775 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]Cc2cc(Br)cs2)C1 ZINC000702763046 655521757 /nfs/dbraw/zinc/52/17/57/655521757.db2.gz LMTKUDGSPAKWMJ-GXFFZTMASA-N 1 0 391.331 2.828 10 0 GFAERO CN(C)C(=O)[C@H]([NH2+]C[C@H]1CCc2nc(C(F)(F)F)cn2C1)c1ccccc1 ZINC000328625377 206234604 /nfs/dbraw/zinc/23/46/04/206234604.db2.gz DCBJTEQDFIEMQW-CXAGYDPISA-N 1 0 380.414 2.883 10 0 GFAERO COc1ccc2oc(C[NH2+]C[C@@H]3CC(=O)N(C)[C@H]3c3cnn(C)c3C)cc2c1 ZINC000328628565 206235318 /nfs/dbraw/zinc/23/53/18/206235318.db2.gz NWMUWFWJGDFBRG-YCRPNKLZSA-N 1 0 382.464 2.793 10 0 GFAERO CC(C)[N@H+](CCN1CCOCC1)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000022596239 206298548 /nfs/dbraw/zinc/29/85/48/206298548.db2.gz DLSSYXNMOPNCBD-MRXNPFEDSA-N 1 0 391.339 2.776 10 0 GFAERO COc1ccc(C[C@@H](c2ccc(C)cc2)[NH+]2CCN(CCO)CC2)cc1OC ZINC000022459511 206298869 /nfs/dbraw/zinc/29/88/69/206298869.db2.gz WSROJGZWMLBGKW-NRFANRHFSA-N 1 0 384.520 2.906 10 0 GFAERO Cc1cc(C[N@@H+](C)[C@H]2CCc3c(c(C(=O)N4CCCCCC4)nn3C)C2)on1 ZINC000014743509 207027380 /nfs/dbraw/zinc/02/73/80/207027380.db2.gz BLDKTEKFGASRCG-INIZCTEOSA-N 1 0 385.512 2.722 10 0 GFAERO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH+]1CCCCCC1)C2 ZINC000014743114 207027458 /nfs/dbraw/zinc/02/74/58/207027458.db2.gz JFPDQHXMECJYRT-GOSISDBHSA-N 1 0 388.556 2.745 10 0 GFAERO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([N@H+](C)Cc1cc(C)no1)C2 ZINC000014749500 207030122 /nfs/dbraw/zinc/03/01/22/207030122.db2.gz VSSRFKZKVZCVFD-INIZCTEOSA-N 1 0 385.512 2.815 10 0 GFAERO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](N(C)CC[NH+](CC)CC)C2 ZINC000023251412 207272000 /nfs/dbraw/zinc/27/20/00/207272000.db2.gz OYBLXSWGCYDIMP-SFHVURJKSA-N 1 0 389.588 2.660 10 0 GFAERO O=C(NCCC[NH+]1CCCC1)[C@H]1CCc2sc(C(=O)N3CCCC3)cc2C1 ZINC000065272950 207855932 /nfs/dbraw/zinc/85/59/32/207855932.db2.gz UTEWVXLCEPJRQD-INIZCTEOSA-N 1 0 389.565 2.691 10 0 GFAERO C[NH+](C)CCN1CC2(CCC1=O)CCN(C(=O)c1ccc(Cl)cc1)CC2 ZINC000091289441 208113771 /nfs/dbraw/zinc/11/37/71/208113771.db2.gz IZNPSQJRQGQVSK-UHFFFAOYSA-N 1 0 377.916 2.746 10 0 GFAERO O=C(N1CCC2(CC1)Nc1ccccc1NC2=O)C1([NH+]2CCCC2)CCCC1 ZINC000091325399 208113788 /nfs/dbraw/zinc/11/37/88/208113788.db2.gz GTSJXRXNMCHWTF-UHFFFAOYSA-N 1 0 382.508 2.820 10 0 GFAERO O=C(NCCC[NH+]1CCCC1)[C@@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1 ZINC000065023615 136158627 /nfs/dbraw/zinc/15/86/27/136158627.db2.gz NAFLEPKHYYQTFM-HXUWFJFHSA-N 1 0 393.535 2.962 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(C)ccc1Br ZINC000128014479 551345740 /nfs/dbraw/zinc/34/57/40/551345740.db2.gz BPPQDFPVEOLFRM-CYBMUJFWSA-N 1 0 375.332 2.862 10 0 GFAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000135335259 551387444 /nfs/dbraw/zinc/38/74/44/551387444.db2.gz NWLFRSIOGCHUQW-SJORKVTESA-N 1 0 380.330 2.749 10 0 GFAERO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000150712138 551400891 /nfs/dbraw/zinc/40/08/91/551400891.db2.gz LHIWKNJCYNTYTB-NXEZZACHSA-N 1 0 377.794 2.883 10 0 GFAERO CC[C@@H]1CN(C(=O)Cc2cc(F)ccc2Br)CC[N@@H+]1CCOC ZINC000151167333 551408349 /nfs/dbraw/zinc/40/83/49/551408349.db2.gz BJBHGOMNPGLVGE-OAHLLOKOSA-N 1 0 387.293 2.700 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(Br)cc(C(F)(F)F)c2)CCO1 ZINC000152218432 551428553 /nfs/dbraw/zinc/42/85/53/551428553.db2.gz HOYLGAXDJJYBEM-CYBMUJFWSA-N 1 0 395.219 2.871 10 0 GFAERO CN(Cc1cc(Br)cn1C)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000153533817 551454915 /nfs/dbraw/zinc/45/49/15/551454915.db2.gz XDVZMOCQDODJNC-QGZVFWFLSA-N 1 0 378.314 2.919 10 0 GFAERO C[C@H](NC(=O)[C@H](C)N1CCO[C@H](C[NH+](C)C)C1)c1ccc(Cl)cc1Cl ZINC000155266953 551495755 /nfs/dbraw/zinc/49/57/55/551495755.db2.gz JLLYYKWTAIIVFN-KCQAQPDRSA-N 1 0 388.339 2.822 10 0 GFAERO CCN(C(=O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000155976853 551512073 /nfs/dbraw/zinc/51/20/73/551512073.db2.gz BUXYMXXKEALSDO-YPMHNXCESA-N 1 0 393.336 2.680 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000157234478 551535264 /nfs/dbraw/zinc/53/52/64/551535264.db2.gz XORYXBAZJXBRST-ZDUSSCGKSA-N 1 0 399.333 2.726 10 0 GFAERO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)c1ccc(Br)cc1F ZINC000161993446 551602010 /nfs/dbraw/zinc/60/20/10/551602010.db2.gz OAENXCDSWHGJAS-GFCCVEGCSA-N 1 0 381.311 2.843 10 0 GFAERO Brc1cc2cccnc2c(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000163752560 551622004 /nfs/dbraw/zinc/62/20/04/551622004.db2.gz CDEZISPMUDRGDP-KRWDZBQOSA-N 1 0 376.298 2.904 10 0 GFAERO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000170946078 551643800 /nfs/dbraw/zinc/64/38/00/551643800.db2.gz BRPHDMGXVIDGRT-MRXNPFEDSA-N 1 0 375.270 2.555 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(I)c(F)c2)C1 ZINC000171464040 551656414 /nfs/dbraw/zinc/65/64/14/551656414.db2.gz RVEFCFYSHGYLGH-LLVKDONJSA-N 1 0 376.213 2.644 10 0 GFAERO Brc1cccc(Cc2noc(CN3CC[N@@H+]4CCC[C@@H]4C3)n2)c1 ZINC000171759446 551662647 /nfs/dbraw/zinc/66/26/47/551662647.db2.gz OYPUWTRIWXAQRI-OAHLLOKOSA-N 1 0 377.286 2.703 10 0 GFAERO Cn1ncc2c1CCC[C@H]2[N@H+](C)C[C@H](O)COc1cccc(Br)c1 ZINC000178501398 552171392 /nfs/dbraw/zinc/17/13/92/552171392.db2.gz WJUIFXWJEHFKEH-WMLDXEAASA-N 1 0 394.313 2.932 10 0 GFAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000180353714 552223605 /nfs/dbraw/zinc/22/36/05/552223605.db2.gz UNWCIMLYRFCUCV-YVEFUNNKSA-N 1 0 389.323 2.578 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2cc(F)c(Br)c(F)c2)CCO1 ZINC000182507430 552285959 /nfs/dbraw/zinc/28/59/59/552285959.db2.gz MVZAVPQIFHXGAK-JTQLQIEISA-N 1 0 378.217 2.522 10 0 GFAERO C[C@@H]([NH2+]CC(=O)NC(=O)NCc1ccco1)c1cccc(Br)c1 ZINC000182575941 552287532 /nfs/dbraw/zinc/28/75/32/552287532.db2.gz JRMDHZIANTVIOC-LLVKDONJSA-N 1 0 380.242 2.719 10 0 GFAERO COc1cc(Br)ccc1CCCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000182633096 552289286 /nfs/dbraw/zinc/28/92/86/552289286.db2.gz WGHAXXPPTUSDIP-HNNXBMFYSA-N 1 0 384.318 2.736 10 0 GFAERO Cc1sc(NC(=O)C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)c1C ZINC000182861693 552294942 /nfs/dbraw/zinc/29/49/42/552294942.db2.gz CIECZUBBMFXQOD-GFCCVEGCSA-N 1 0 381.523 2.610 10 0 GFAERO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000184943754 552348671 /nfs/dbraw/zinc/34/86/71/552348671.db2.gz QEQCKAXODQWWNF-ZDUSSCGKSA-N 1 0 375.778 2.604 10 0 GFAERO CN(C)C(=O)CCC[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186141858 552380081 /nfs/dbraw/zinc/38/00/81/552380081.db2.gz OONQHTFEWNVYGT-QGZVFWFLSA-N 1 0 377.286 2.787 10 0 GFAERO O=C(c1cc(Br)c[nH]1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186593461 552391918 /nfs/dbraw/zinc/39/19/18/552391918.db2.gz UPCYHPDKJJULSA-HNNXBMFYSA-N 1 0 377.286 2.957 10 0 GFAERO O=C(c1cc(Br)c[nH]1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186593441 552392080 /nfs/dbraw/zinc/39/20/80/552392080.db2.gz UPCYHPDKJJULSA-OAHLLOKOSA-N 1 0 377.286 2.957 10 0 GFAERO COc1cc(Br)ccc1CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000187157556 552408419 /nfs/dbraw/zinc/40/84/19/552408419.db2.gz UEHVXJPAQUJWRE-WFASDCNBSA-N 1 0 384.318 2.986 10 0 GFAERO C[C@@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000189822673 552480902 /nfs/dbraw/zinc/48/09/02/552480902.db2.gz ZNZQZXDZPRXZMO-SNVBAGLBSA-N 1 0 375.359 2.955 10 0 GFAERO Cc1csc(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1Br ZINC000190960047 552514473 /nfs/dbraw/zinc/51/44/73/552514473.db2.gz FWYDWKJJQCIXAQ-GFCCVEGCSA-N 1 0 389.359 2.984 10 0 GFAERO C[C@@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1Cl ZINC000193109638 552983824 /nfs/dbraw/zinc/98/38/24/552983824.db2.gz RANHXUGXQIGJKZ-NWDGAFQWSA-N 1 0 381.885 2.665 10 0 GFAERO C[C@@H]([NH3+])CCNS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000193254431 552987927 /nfs/dbraw/zinc/98/79/27/552987927.db2.gz SJFRZCNKJFEJPJ-ZCFIWIBFSA-N 1 0 376.103 2.772 10 0 GFAERO C[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@@H]1[NH+](C)C ZINC000226812311 553062176 /nfs/dbraw/zinc/06/21/76/553062176.db2.gz YGUJCQLIXCCOOA-ZANVPECISA-N 1 0 392.668 2.967 10 0 GFAERO COC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000245402566 553090322 /nfs/dbraw/zinc/09/03/22/553090322.db2.gz INJDAKSIVLUKDE-DZGCQCFKSA-N 1 0 397.313 2.681 10 0 GFAERO CC[C@H]1CN(Cc2cc(Br)c(OC)s2)CC[N@@H+]1C[C@H](C)O ZINC000245766276 553097237 /nfs/dbraw/zinc/09/72/37/553097237.db2.gz QWUPJYUIPFQHPL-RYUDHWBXSA-N 1 0 377.348 2.796 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(Cc2cc(Br)cc3cccnc32)C[C@@H]1C ZINC000246394249 553107351 /nfs/dbraw/zinc/10/73/51/553107351.db2.gz IHSGEGXWOWAYRE-KBPBESRZSA-N 1 0 378.314 2.884 10 0 GFAERO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246654325 553111421 /nfs/dbraw/zinc/11/14/21/553111421.db2.gz KJJXNAGHWZONDV-JTQLQIEISA-N 1 0 379.707 2.571 10 0 GFAERO COCCN1CCN(C(=O)N[C@H](C)c2ccc(Br)cc2)C[C@@H]1C ZINC000246997602 553117481 /nfs/dbraw/zinc/11/74/81/553117481.db2.gz GMJSGTUNMZGFHZ-UONOGXRCSA-N 1 0 384.318 2.872 10 0 GFAERO O[C@H](COc1cccc(Br)c1)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247486394 553122693 /nfs/dbraw/zinc/12/26/93/553122693.db2.gz KOUXWDWPUCMATF-WMZOPIPTSA-N 1 0 397.357 2.997 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000247465532 553122798 /nfs/dbraw/zinc/12/27/98/553122798.db2.gz REOBXKNCZWCKTF-QWRGUYRKSA-N 1 0 380.844 2.799 10 0 GFAERO O=S(=O)(CCN1CCN2CCCC[C@H]2C1)c1cc(Cl)ccc1Cl ZINC000248370590 553128750 /nfs/dbraw/zinc/12/87/50/553128750.db2.gz XRQQDSBMYYZXFV-AWEZNQCLSA-N 1 0 377.337 2.937 10 0 GFAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cccc(I)c1 ZINC000252661954 553150514 /nfs/dbraw/zinc/15/05/14/553150514.db2.gz RZOLZEXOLSALCQ-DOMZBBRYSA-N 1 0 384.261 2.990 10 0 GFAERO [NH3+]CC1(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)CCOCC1 ZINC000262323822 553169334 /nfs/dbraw/zinc/16/93/34/553169334.db2.gz ROMNTZIOAVNRRP-UHFFFAOYSA-N 1 0 383.222 2.967 10 0 GFAERO C[N@@H+]1CCO[C@@H]2CN(c3nn4cc(-c5ccc(Cl)cc5)nc4s3)C[C@H]21 ZINC000302390129 563424505 /nfs/dbraw/zinc/42/45/05/563424505.db2.gz DBHVDTHBUQJMKM-HUUCEWRRSA-N 1 0 375.885 2.630 10 0 GFAERO COC(=O)c1cc(F)c2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NC(=O)OC(C)(C)C ZINC000725260703 570310275 /nfs/dbraw/zinc/31/02/75/570310275.db2.gz VCVPNJUGVSEDJF-DJJJIMSYSA-N 1 0 380.416 2.693 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)OCc3ccccc3)C[C@@H](C1)[C@H]2[NH3+] ZINC000238855616 570679872 /nfs/dbraw/zinc/67/98/72/570679872.db2.gz SGHUIAHMXYQPIE-KNCDZKKRSA-N 1 0 389.496 2.886 10 0 GFAERO COCCN1C(=O)C[C@@H](C[NH2+]Cc2c(F)cccc2Cl)[C@@H]1c1cnn(C)c1 ZINC000275371206 570691461 /nfs/dbraw/zinc/69/14/61/570691461.db2.gz XGKOKEGOBDEBJI-ORAYPTAESA-N 1 0 394.878 2.538 10 0 GFAERO CC1=C(C(=O)Nc2ccc(Cl)cc2C(=O)NCC[NH+](C)C)SCCO1 ZINC000006894978 570692431 /nfs/dbraw/zinc/69/24/31/570692431.db2.gz KBYWLORCOAUXEL-UHFFFAOYSA-N 1 0 383.901 2.565 10 0 GFAERO COCCN(C)c1cnn([C@H]2CCC[N@H+](Cc3cc(C)cc(C)c3)C2)c(=O)c1 ZINC000583618336 570800408 /nfs/dbraw/zinc/80/04/08/570800408.db2.gz PIBHXPTWXPAYNQ-FQEVSTJZSA-N 1 0 384.524 2.780 10 0 GFAERO COc1cc(C[NH2+][C@H](C)[C@@H]2CCCO2)cc(I)c1OC ZINC000068840006 654968653 /nfs/dbraw/zinc/96/86/53/654968653.db2.gz ISDKWURLMBEDFB-MFKMUULPSA-N 1 0 391.249 2.966 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1csc(I)c1 ZINC000096537341 655031476 /nfs/dbraw/zinc/03/14/76/655031476.db2.gz XGBKJIXWGNQWCU-MWLCHTKSSA-N 1 0 376.263 2.661 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)c2ccc(Cl)s2)CC1=O ZINC000105316731 655090566 /nfs/dbraw/zinc/09/05/66/655090566.db2.gz WAEPFISWEQWXRY-BFHYXJOUSA-N 1 0 383.945 2.912 10 0 GFAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)c1 ZINC000112552317 655193400 /nfs/dbraw/zinc/19/34/00/655193400.db2.gz VUBKWYUWFJIGAW-AWEZNQCLSA-N 1 0 379.302 2.591 10 0 GFAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCc2ccc(Br)s2)C[C@@H]1C ZINC000174338068 655199737 /nfs/dbraw/zinc/19/97/37/655199737.db2.gz RWIQXJUKJJMCLZ-QWHCGFSZSA-N 1 0 389.359 2.747 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000113231329 655205708 /nfs/dbraw/zinc/20/57/08/655205708.db2.gz YYBUNIABGRVVPG-WCQYABFASA-N 1 0 381.270 2.529 10 0 GFAERO C[C@@H](NC(=O)NCC1([NH+](C)C)CCOCC1)c1cccc(Br)c1 ZINC000114019603 655217418 /nfs/dbraw/zinc/21/74/18/655217418.db2.gz ULESHKRIOUSCJG-CYBMUJFWSA-N 1 0 384.318 2.920 10 0 GFAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1c(F)cccc1Br ZINC000176079223 655234425 /nfs/dbraw/zinc/23/44/25/655234425.db2.gz AXTKAYGRSAKXJX-NSHDSACASA-N 1 0 388.281 2.619 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)CCCOc2cccc(Cl)c2Cl)CCO1 ZINC000116795303 655253984 /nfs/dbraw/zinc/25/39/84/655253984.db2.gz ILQJFDKLERBCML-ZDUSSCGKSA-N 1 0 375.296 2.941 10 0 GFAERO CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117261640 655262558 /nfs/dbraw/zinc/26/25/58/655262558.db2.gz VJSKXVOZYJLUGH-RDJZCZTQSA-N 1 0 383.330 2.807 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C/c1ccc(I)o1 ZINC000176984829 655264703 /nfs/dbraw/zinc/26/47/03/655264703.db2.gz CRILFQGLCKGRAC-CRALRDPISA-N 1 0 388.249 2.840 10 0 GFAERO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178632187 655306539 /nfs/dbraw/zinc/30/65/39/655306539.db2.gz HWEYVSMUUHRHCC-RHSMWYFYSA-N 1 0 380.330 2.576 10 0 GFAERO C[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)NCCc1cccs1 ZINC000120172351 655330190 /nfs/dbraw/zinc/33/01/90/655330190.db2.gz MJSKQCOAUKNCAC-KBPBESRZSA-N 1 0 380.535 2.550 10 0 GFAERO [NH3+][C@H]1CCCN(S(=O)(=O)c2cc(Br)c(Cl)cc2Cl)C1 ZINC000193225272 655408922 /nfs/dbraw/zinc/40/89/22/655408922.db2.gz HRSRRHNPZRZKOY-ZETCQYMHSA-N 1 0 388.114 2.868 10 0 GFAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000236961444 655425237 /nfs/dbraw/zinc/42/52/37/655425237.db2.gz KXMAWTGMCJWVPY-CXAGYDPISA-N 1 0 382.346 2.903 10 0 GFAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(Cl)c(I)c1 ZINC000238042428 655427045 /nfs/dbraw/zinc/42/70/45/655427045.db2.gz DPSXRRLUZHJCLU-JOYOIKCWSA-N 1 0 378.641 2.802 10 0 GFAERO O=C(/C=C\c1ccc(I)o1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000255557786 655439531 /nfs/dbraw/zinc/43/95/31/655439531.db2.gz GQMDBFXLBKZHEJ-SMYYYNMVSA-N 1 0 386.233 2.594 10 0 GFAERO C[C@H]([NH3+])CC(=O)Nc1ccc(Br)c(I)c1 ZINC000261533531 655441248 /nfs/dbraw/zinc/44/12/48/655441248.db2.gz KVOZOJIDFOBMEZ-LURJTMIESA-N 1 0 383.027 2.730 10 0 GFAERO CN1C[C@H](C[NH2+]Cc2cc(Br)c(Br)s2)CC1=O ZINC000723570200 655525559 /nfs/dbraw/zinc/52/55/59/655525559.db2.gz CZVGDEOBUSGRDS-ZETCQYMHSA-N 1 0 382.121 2.841 10 0 GFAERO CN(C)C(=O)[C@@H]([NH2+]C[C@H]1CCc2nc(C(F)(F)F)cn2C1)c1ccccc1 ZINC000328625378 206235117 /nfs/dbraw/zinc/23/51/17/206235117.db2.gz DCBJTEQDFIEMQW-DYVFJYSZSA-N 1 0 380.414 2.883 10 0 GFAERO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000010653079 206815503 /nfs/dbraw/zinc/81/55/03/206815503.db2.gz FYQPUZNCHAGFEA-OAHLLOKOSA-N 1 0 397.479 2.728 10 0 GFAERO COc1ccc(Cn2cc(C(=O)N3CCC([C@@H](C)[NH+]4CCCC4)CC3)nn2)cc1 ZINC000011840214 206835509 /nfs/dbraw/zinc/83/55/09/206835509.db2.gz QCDCKTVFQOBRNX-QGZVFWFLSA-N 1 0 397.523 2.672 10 0 GFAERO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH+]1CCC(C)CC1)C2 ZINC000014533431 207022855 /nfs/dbraw/zinc/02/28/55/207022855.db2.gz CDEIPBUTIRBPBM-MRXNPFEDSA-N 1 0 376.570 2.681 10 0 GFAERO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]CCc1ccccc1OC)C2 ZINC000014744488 207028552 /nfs/dbraw/zinc/02/85/52/207028552.db2.gz GNMFQJYMUNPMKX-GOSISDBHSA-N 1 0 396.535 2.837 10 0 GFAERO COc1ccc2c(c1)c(C[NH+]1CCC(C(=O)NC[C@@H]3CCCO3)CC1)cn2C ZINC000035504121 207493356 /nfs/dbraw/zinc/49/33/56/207493356.db2.gz UWGOHGNWSLABAE-IBGZPJMESA-N 1 0 385.508 2.694 10 0 GFAERO Cc1cc(C)c(C(=O)N2CCC[C@H](C(=O)NCC[N@@H+](C)Cc3ccccc3)C2)[nH]1 ZINC000085620474 208101088 /nfs/dbraw/zinc/10/10/88/208101088.db2.gz GWGXBUHDJCVZSG-FQEVSTJZSA-N 1 0 396.535 2.732 10 0 GFAERO O=C(c1ncc(F)cc1F)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095392007 208178293 /nfs/dbraw/zinc/17/82/93/208178293.db2.gz VGWGWMHWGQWSCA-PWIZWCRZSA-N 1 0 385.414 2.768 10 0 GFAERO COc1ccc(Cn2c(=O)c3sccc3nc2N2CCC[C@H]([NH3+])C2)cc1F ZINC000057344576 524255997 /nfs/dbraw/zinc/25/59/97/524255997.db2.gz AKQQUOFIJYIUQE-ZDUSSCGKSA-N 1 0 388.468 2.582 10 0 GFAERO O[C@@H](COc1cccc(Br)c1)CN1CC[NH+](C2CCCC2)CC1 ZINC000045821734 551148521 /nfs/dbraw/zinc/14/85/21/551148521.db2.gz RRSNLRCTMHTRRG-QGZVFWFLSA-N 1 0 383.330 2.749 10 0 GFAERO O=C(CCc1cc(Cl)cs1)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000119677461 551218375 /nfs/dbraw/zinc/21/83/75/551218375.db2.gz FCUUNQWAJOVBRB-KRWDZBQOSA-N 1 0 378.925 2.870 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000121069026 551226078 /nfs/dbraw/zinc/22/60/78/551226078.db2.gz HAHUJDZILHWBIZ-DOMZBBRYSA-N 1 0 375.332 2.597 10 0 GFAERO CC(C)[N@H+]1C[C@H](NS(=O)(=O)Cc2ccc(Br)cc2)[C@@H](C)C1 ZINC000121069201 551226058 /nfs/dbraw/zinc/22/60/58/551226058.db2.gz HAHUJDZILHWBIZ-WFASDCNBSA-N 1 0 375.332 2.597 10 0 GFAERO CC[C@@H]1CN(CCC(=O)Nc2cccc(Br)c2)CC[N@@H+]1C[C@@H](C)O ZINC000124592124 551315780 /nfs/dbraw/zinc/31/57/80/551315780.db2.gz STUBLMLULOTAFD-RHSMWYFYSA-N 1 0 398.345 2.555 10 0 GFAERO Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)ccc1Br ZINC000129394929 551356954 /nfs/dbraw/zinc/35/69/54/551356954.db2.gz BAVFPHTXSSWUQJ-OAHLLOKOSA-N 1 0 396.329 2.933 10 0 GFAERO C[C@H](Cc1cccc(Br)c1)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000139275788 551391871 /nfs/dbraw/zinc/39/18/71/551391871.db2.gz YXKWPQRJBVANQI-PBHICJAKSA-N 1 0 398.345 2.526 10 0 GFAERO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000151428661 551413248 /nfs/dbraw/zinc/41/32/48/551413248.db2.gz PBNSXZKWFFRNFT-LBPRGKRZSA-N 1 0 379.254 2.640 10 0 GFAERO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000156115500 551514750 /nfs/dbraw/zinc/51/47/50/551514750.db2.gz AMAZLNMHLFUZDK-JHJVBQTASA-N 1 0 399.333 2.636 10 0 GFAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000156206457 551517186 /nfs/dbraw/zinc/51/71/86/551517186.db2.gz ATFGNRGQTYUVFY-ZDUSSCGKSA-N 1 0 385.306 2.534 10 0 GFAERO CCOC(=O)C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000158175096 551547963 /nfs/dbraw/zinc/54/79/63/551547963.db2.gz OKCGTAYWXJTTLL-HIFRSBDPSA-N 1 0 383.286 2.559 10 0 GFAERO COC(=O)C[C@H](NC(=O)C1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000174743971 552109357 /nfs/dbraw/zinc/10/93/57/552109357.db2.gz ACVDZPXXKDHRJS-HNNXBMFYSA-N 1 0 383.286 2.511 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000174960727 552113031 /nfs/dbraw/zinc/11/30/31/552113031.db2.gz DILMQJLWIMISHU-UONOGXRCSA-N 1 0 395.297 2.919 10 0 GFAERO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000176298433 552137796 /nfs/dbraw/zinc/13/77/96/552137796.db2.gz AUQDZTFDMDQKTE-CYBMUJFWSA-N 1 0 391.265 2.784 10 0 GFAERO CC[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C)CC[N@@H+]1C[C@@H](C)O ZINC000182212110 552278503 /nfs/dbraw/zinc/27/85/03/552278503.db2.gz VEKXBQAIBRLNQJ-RHSMWYFYSA-N 1 0 383.330 2.604 10 0 GFAERO C[C@H]([NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCO1 ZINC000183218283 552303422 /nfs/dbraw/zinc/30/34/22/552303422.db2.gz ASDODQLKHCFSGB-TVQRCGJNSA-N 1 0 375.782 2.992 10 0 GFAERO C[C@@H]([NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000183218264 552303449 /nfs/dbraw/zinc/30/34/49/552303449.db2.gz ASDODQLKHCFSGB-RNCFNFMXSA-N 1 0 375.782 2.992 10 0 GFAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCc2cccc(Br)c2)CC1 ZINC000184979264 552350121 /nfs/dbraw/zinc/35/01/21/552350121.db2.gz FIDSIOGIIMBGQF-AWEZNQCLSA-N 1 0 398.345 2.683 10 0 GFAERO CN1C[C@@H]([NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)CCC1=O ZINC000186203483 552381473 /nfs/dbraw/zinc/38/14/73/552381473.db2.gz YWJUINXGMNUMMW-DOTOQJQBSA-N 1 0 375.270 2.539 10 0 GFAERO C[NH+](C)[C@H](CNC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1)c1cccs1 ZINC000186790355 552398309 /nfs/dbraw/zinc/39/83/09/552398309.db2.gz RUFBFNXEWFOLOC-HRCADAONSA-N 1 0 379.551 2.830 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000190335162 552492865 /nfs/dbraw/zinc/49/28/65/552492865.db2.gz UGHXYWHGBIZNNS-CHWSQXEVSA-N 1 0 398.276 2.612 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000190577519 552501873 /nfs/dbraw/zinc/50/18/73/552501873.db2.gz RQWDAKMAWFECOZ-HNNXBMFYSA-N 1 0 396.329 2.947 10 0 GFAERO Cc1csc(CNC(=O)N2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)n1 ZINC000190688355 552505954 /nfs/dbraw/zinc/50/59/54/552505954.db2.gz SETJKNWZVXIUQG-CQSZACIVSA-N 1 0 379.555 2.880 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000191911271 552542236 /nfs/dbraw/zinc/54/22/36/552542236.db2.gz DHVFWSQYAMNAQY-JTQLQIEISA-N 1 0 390.709 2.888 10 0 GFAERO Cn1cc([C@H]2CC[N@@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)cn1 ZINC000192073389 552548977 /nfs/dbraw/zinc/54/89/77/552548977.db2.gz LPBSTPQYYSHXTI-SUMWQHHRSA-N 1 0 389.297 2.777 10 0 GFAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cccc(Br)c2F)CC1 ZINC000192146537 552553483 /nfs/dbraw/zinc/55/34/83/552553483.db2.gz FNVYGAPFUQTIEW-LBPRGKRZSA-N 1 0 387.293 2.753 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2cc3c(cc2Br)CCC3)CCO1 ZINC000192466570 552564751 /nfs/dbraw/zinc/56/47/51/552564751.db2.gz XCIXGNDJVMSEMV-AWEZNQCLSA-N 1 0 382.302 2.732 10 0 GFAERO C[C@H]([NH2+]CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)c1cccs1 ZINC000192866277 552977013 /nfs/dbraw/zinc/97/70/13/552977013.db2.gz QLDJYFSVOBPHKJ-GOEBONIOSA-N 1 0 384.567 2.747 10 0 GFAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000192932051 552978506 /nfs/dbraw/zinc/97/85/06/552978506.db2.gz ISNKAYFFZBTIDW-CQSZACIVSA-N 1 0 383.514 2.733 10 0 GFAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc(I)c(Cl)c1 ZINC000226789822 553062161 /nfs/dbraw/zinc/06/21/61/553062161.db2.gz RSRIOFPZBOMBSN-JTQLQIEISA-N 1 0 392.668 2.968 10 0 GFAERO C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc(Br)c2)C[C@@H]1n1ccnc1 ZINC000245575090 553093692 /nfs/dbraw/zinc/09/36/92/553093692.db2.gz HNDINCZFWNYUIL-KYJSFNMBSA-N 1 0 394.313 2.968 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000245896580 553099045 /nfs/dbraw/zinc/09/90/45/553099045.db2.gz KLLPJLQFMAFTAP-BBRMVZONSA-N 1 0 389.297 2.944 10 0 GFAERO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000246127828 553102668 /nfs/dbraw/zinc/10/26/68/553102668.db2.gz AMAZLNMHLFUZDK-UPJWGTAASA-N 1 0 399.333 2.636 10 0 GFAERO CC[C@@H]1CN(CCC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C[C@H](C)O ZINC000247558954 553124288 /nfs/dbraw/zinc/12/42/88/553124288.db2.gz FUKDASUHRDCIRA-WMLDXEAASA-N 1 0 398.345 2.555 10 0 GFAERO CCCN(C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000248590589 553131403 /nfs/dbraw/zinc/13/14/03/553131403.db2.gz KWKBXDNSEQSPOG-FRRDWIJNSA-N 1 0 392.974 2.866 10 0 GFAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc(Br)c1 ZINC000250243924 553147180 /nfs/dbraw/zinc/14/71/80/553147180.db2.gz VKAXNEREBMFSPJ-NVXWUHKLSA-N 1 0 399.329 2.522 10 0 GFAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000261695533 553156439 /nfs/dbraw/zinc/15/64/39/553156439.db2.gz IAPHDIONMQLXEW-CHWSQXEVSA-N 1 0 377.535 2.622 10 0 GFAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000261693334 553156473 /nfs/dbraw/zinc/15/64/73/553156473.db2.gz HVOIPTRGTSTRRH-MLGOLLRUSA-N 1 0 384.307 2.653 10 0 GFAERO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)Oc1ccccc1Br ZINC000261934875 553162897 /nfs/dbraw/zinc/16/28/97/553162897.db2.gz MDLSGBGDBCKHBS-WTTBNOFXSA-N 1 0 383.330 2.963 10 0 GFAERO C[C@@H]([NH2+]CCn1cc(Br)cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000285507430 563524493 /nfs/dbraw/zinc/52/44/93/563524493.db2.gz AYLTZLRKPYZCEY-CHWSQXEVSA-N 1 0 387.322 2.881 10 0 GFAERO COCC1CCN(C(=O)c2ccnc(N3CC[NH2+][C@@H](c4ccccc4)C3)c2)CC1 ZINC000065255926 570754297 /nfs/dbraw/zinc/75/42/97/570754297.db2.gz JLOYLYLJUWFMGX-OAQYLSRUSA-N 1 0 394.519 2.731 10 0 GFAERO C[NH+](C)C[C@@H]1CN(Cc2cc(Br)ccc2OC(F)F)CCO1 ZINC000128236413 654843028 /nfs/dbraw/zinc/84/30/28/654843028.db2.gz GXTXGQKPLQGGFW-CYBMUJFWSA-N 1 0 379.245 2.813 10 0 GFAERO [NH3+]C[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000131696114 654914071 /nfs/dbraw/zinc/91/40/71/654914071.db2.gz RCSNPUYPLNSQMG-QMMMGPOBSA-N 1 0 388.114 2.868 10 0 GFAERO O[C@@H](COCc1ccc(Cl)cc1)C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000068254581 654958524 /nfs/dbraw/zinc/95/85/24/654958524.db2.gz QYGYLNFYDQCTFB-QGZVFWFLSA-N 1 0 381.929 2.886 10 0 GFAERO CC[C@H]1CN(CCC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000106102087 655102780 /nfs/dbraw/zinc/10/27/80/655102780.db2.gz FUKDASUHRDCIRA-PBHICJAKSA-N 1 0 398.345 2.555 10 0 GFAERO C[C@@H]1CN(CN2C(=O)C[C@@](C)(c3ccc(Br)cc3)C2=O)CCS1 ZINC000171604944 655152685 /nfs/dbraw/zinc/15/26/85/655152685.db2.gz DMRBTSVWNTWGBS-PXAZEXFGSA-N 1 0 397.338 2.861 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000113231326 655205578 /nfs/dbraw/zinc/20/55/78/655205578.db2.gz YYBUNIABGRVVPG-DGCLKSJQSA-N 1 0 381.270 2.529 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000113268743 655206541 /nfs/dbraw/zinc/20/65/41/655206541.db2.gz BKXCQRMCBQFKLK-ZYHUDNBSSA-N 1 0 388.256 2.834 10 0 GFAERO O=C(CSC(F)(F)F)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000174855422 655209214 /nfs/dbraw/zinc/20/92/14/655209214.db2.gz JQCYZCZMYKEFKJ-OAHLLOKOSA-N 1 0 376.444 2.801 10 0 GFAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000176447816 655245913 /nfs/dbraw/zinc/24/59/13/655245913.db2.gz IKNDXNJHPPLCRH-CYBMUJFWSA-N 1 0 389.323 2.923 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)CCSc2ccc(Br)cc2)CCO1 ZINC000116786910 655253586 /nfs/dbraw/zinc/25/35/86/655253586.db2.gz ZBMCERFFHOJRPX-CQSZACIVSA-N 1 0 387.343 2.720 10 0 GFAERO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000237111350 655425652 /nfs/dbraw/zinc/42/56/52/655425652.db2.gz NLPVOTZOAXUXSE-SMDDNHRTSA-N 1 0 383.286 2.664 10 0 GFAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000261575166 655441309 /nfs/dbraw/zinc/44/13/09/655441309.db2.gz NBFLNNOGLAVNQB-LURJTMIESA-N 1 0 376.103 2.642 10 0 GFAERO O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262836961 655447295 /nfs/dbraw/zinc/44/72/95/655447295.db2.gz SQGCJJKLYRWSSZ-XHDPSFHLSA-N 1 0 383.279 2.578 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]Cc2ccccc2Br)C1 ZINC000702784032 655521847 /nfs/dbraw/zinc/52/18/47/655521847.db2.gz MTNWZMONMHPSJG-DZGCQCFKSA-N 1 0 385.302 2.767 10 0 GFAERO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2N)CC1 ZINC000226263719 206259305 /nfs/dbraw/zinc/25/93/05/206259305.db2.gz MYEDOMMTZZIVTK-UHFFFAOYSA-N 1 0 384.480 2.680 10 0 GFAERO COc1cccc(NCC(=O)N[C@@H](CCCC[NH3+])C(=O)Nc2ccc(C)cc2)c1 ZINC000034865975 206305457 /nfs/dbraw/zinc/30/54/57/206305457.db2.gz LEALMLWVZMCJFQ-FQEVSTJZSA-N 1 0 398.507 2.668 10 0 GFAERO CCn1nc(C(=O)N(C)Cc2ccoc2)c2c1CC[C@@H](N(C)Cc1ccon1)C2 ZINC000014731547 207026387 /nfs/dbraw/zinc/02/63/87/207026387.db2.gz YIQLFNMAIJQWRM-QGZVFWFLSA-N 1 0 397.479 2.746 10 0 GFAERO Cc1cc(=O)[nH]c(-c2cccc(C[NH+]3CCC(O)(c4cccnc4)CC3)c2)n1 ZINC000019720930 207155040 /nfs/dbraw/zinc/15/50/40/207155040.db2.gz NCPHVNQVRPGZGS-UHFFFAOYSA-N 1 0 376.460 2.624 10 0 GFAERO Cc1cccc2cc(CN(CC[NH+](C)C)C(=O)[C@H]3CCCO3)c(N(C)C)nc12 ZINC000020451959 207192637 /nfs/dbraw/zinc/19/26/37/207192637.db2.gz JMAPGCRITNQSNO-LJQANCHMSA-N 1 0 384.524 2.678 10 0 GFAERO Cc1ncsc1CCOC[C@H](O)C[NH2+]Cc1ccc(Br)s1 ZINC000037984913 207247214 /nfs/dbraw/zinc/24/72/14/207247214.db2.gz SAHPKUMTMZEKCR-LLVKDONJSA-N 1 0 391.356 2.985 10 0 GFAERO CC(=O)N1CCC([N@@H+]2CC[C@]3(C2)CCCN(CC2CCCCC2)C3=O)CC1 ZINC000014956105 207784639 /nfs/dbraw/zinc/78/46/39/207784639.db2.gz DJESRTNFSCDOEA-QFIPXVFZSA-N 1 0 375.557 2.892 10 0 GFAERO O=C1N[C@](CCCc2ccccc2)(C2CC[NH2+]CC2)C(=O)N1Cc1ccccn1 ZINC000067740054 207903606 /nfs/dbraw/zinc/90/36/06/207903606.db2.gz UUAVODKYCOCDKG-HSZRJFAPSA-N 1 0 392.503 2.895 10 0 GFAERO O=C(Nc1ccccc1I)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000104971106 551198932 /nfs/dbraw/zinc/19/89/32/551198932.db2.gz FLOWTMXXRDBEME-GFCCVEGCSA-N 1 0 385.249 2.993 10 0 GFAERO Cc1sc(Br)cc1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000122463364 551298109 /nfs/dbraw/zinc/29/81/09/551298109.db2.gz YTYLEGQOZPKNAK-ONGXEEELSA-N 1 0 379.345 2.676 10 0 GFAERO CCCCN(C(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000128485112 551349469 /nfs/dbraw/zinc/34/94/69/551349469.db2.gz LEPOYUXWJKYUBH-YOEHRIQHSA-N 1 0 386.945 2.806 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(Br)cc1F ZINC000154533710 551477662 /nfs/dbraw/zinc/47/76/62/551477662.db2.gz SVIQJNJYYXOUBG-GFCCVEGCSA-N 1 0 379.295 2.693 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2c(F)cccc2I)C1 ZINC000155677994 551505786 /nfs/dbraw/zinc/50/57/86/551505786.db2.gz GRSIQDLUTMCXOY-SNVBAGLBSA-N 1 0 376.213 2.644 10 0 GFAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000157183887 551534214 /nfs/dbraw/zinc/53/42/14/551534214.db2.gz CFOXHIMAANAYLE-CYBMUJFWSA-N 1 0 394.313 2.997 10 0 GFAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)N[C@@H]1CCc2c1cccc2Br ZINC000170817207 551640366 /nfs/dbraw/zinc/64/03/66/551640366.db2.gz INUBQPIZKCQPMS-CXAGYDPISA-N 1 0 396.329 2.582 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(I)c(F)c2)C1 ZINC000171464033 551656143 /nfs/dbraw/zinc/65/61/43/551656143.db2.gz RVEFCFYSHGYLGH-NSHDSACASA-N 1 0 376.213 2.644 10 0 GFAERO C[C@@H](NC(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000172800352 551686997 /nfs/dbraw/zinc/68/69/97/551686997.db2.gz GAZVUNYSWXDLQC-RHSMWYFYSA-N 1 0 380.330 2.796 10 0 GFAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000174433070 552104152 /nfs/dbraw/zinc/10/41/52/552104152.db2.gz LPPTUYMAHZWUNY-MRVPVSSYSA-N 1 0 395.191 2.737 10 0 GFAERO CC[C@@H]1CN(C(=O)CCc2ccccc2Br)CC[N@@H+]1C[C@@H](C)O ZINC000174615726 552106761 /nfs/dbraw/zinc/10/67/61/552106761.db2.gz BOSBQMLDNBFGCA-GDBMZVCRSA-N 1 0 383.330 2.685 10 0 GFAERO COc1cccc([C@H]([NH2+]CCCNS(C)(=O)=O)c2ccccc2Cl)c1 ZINC000180035136 552210510 /nfs/dbraw/zinc/21/05/10/552210510.db2.gz QGVNBXGLSMAKCV-SFHVURJKSA-N 1 0 382.913 2.967 10 0 GFAERO Cc1cc(NC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cnc1Br ZINC000182433349 552283799 /nfs/dbraw/zinc/28/37/99/552283799.db2.gz DESLGKNEXQDCCA-ZDUSSCGKSA-N 1 0 399.333 2.709 10 0 GFAERO COC(=O)C1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(Br)c2)CC1 ZINC000182569728 552287730 /nfs/dbraw/zinc/28/77/30/552287730.db2.gz HQBCQMWSYMPYPA-STQMWFEESA-N 1 0 397.313 2.900 10 0 GFAERO CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(Br)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000184711419 552342926 /nfs/dbraw/zinc/34/29/26/552342926.db2.gz TXWMRIHNHFSJGC-JKIFEVAISA-N 1 0 398.345 2.997 10 0 GFAERO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000184943732 552348943 /nfs/dbraw/zinc/34/89/43/552348943.db2.gz QEQCKAXODQWWNF-CYBMUJFWSA-N 1 0 375.778 2.604 10 0 GFAERO Cc1ccc(CCC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c(Br)c1 ZINC000185870034 552372570 /nfs/dbraw/zinc/37/25/70/552372570.db2.gz XENSQVMPWLEPDF-LSDHHAIUSA-N 1 0 383.330 2.604 10 0 GFAERO CC(C)NC(=O)CC[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186102585 552379431 /nfs/dbraw/zinc/37/94/31/552379431.db2.gz QGHMGMPTNOSDFW-KRWDZBQOSA-N 1 0 377.286 2.833 10 0 GFAERO O=c1cc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)nc2ccc(Cl)cn12 ZINC000188087976 552434520 /nfs/dbraw/zinc/43/45/20/552434520.db2.gz IBHCRYVLQNBAQV-BBRMVZONSA-N 1 0 375.881 2.617 10 0 GFAERO CC[C@H]1CN(C(=O)Cc2ccc(C)c(Br)c2)CC[N@@H+]1C[C@@H](C)O ZINC000188190117 552438614 /nfs/dbraw/zinc/43/86/14/552438614.db2.gz RUSVNGBBSOUINV-ZBFHGGJFSA-N 1 0 383.330 2.604 10 0 GFAERO CCOc1ccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1Br ZINC000189490099 552473264 /nfs/dbraw/zinc/47/32/64/552473264.db2.gz AELUFEMVXOKGQJ-ZDUSSCGKSA-N 1 0 386.290 2.642 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000190076360 552486471 /nfs/dbraw/zinc/48/64/71/552486471.db2.gz JBLHMWQPILSDOA-NWDGAFQWSA-N 1 0 376.507 2.505 10 0 GFAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cc(Br)c[nH]2)C1 ZINC000190627037 552503772 /nfs/dbraw/zinc/50/37/72/552503772.db2.gz KXBSLAASGDJYEF-AWEZNQCLSA-N 1 0 377.286 2.766 10 0 GFAERO CC[C@H](O)C[NH+]1CCN([C@@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)CC1 ZINC000192045251 552547227 /nfs/dbraw/zinc/54/72/27/552547227.db2.gz MIUYLDQYJGTXMQ-XJKSGUPXSA-N 1 0 375.296 2.596 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1ccc(I)cc1 ZINC000192052992 552547766 /nfs/dbraw/zinc/54/77/66/552547766.db2.gz NCBGFMZNTNFFJF-OAHLLOKOSA-N 1 0 386.277 2.776 10 0 GFAERO C[C@@H]1CN([C@@H](CNC(=O)N2CCSC[C@@H](C)C2)c2cccs2)CCO1 ZINC000192385636 552561483 /nfs/dbraw/zinc/56/14/83/552561483.db2.gz QVQDDIXXDUMTCN-XHSDSOJGSA-N 1 0 383.583 2.904 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(C(=O)OC)c2Br)C1 ZINC000192423626 552563004 /nfs/dbraw/zinc/56/30/04/552563004.db2.gz GWEYLCRXEPOQCN-LLVKDONJSA-N 1 0 384.274 2.842 10 0 GFAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cccc(C)c2)C1 ZINC000192931515 552978726 /nfs/dbraw/zinc/97/87/26/552978726.db2.gz MUJXXYFHWBATMZ-MRXNPFEDSA-N 1 0 379.551 2.903 10 0 GFAERO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195505397 553050981 /nfs/dbraw/zinc/05/09/81/553050981.db2.gz PXQFMTUGIXFOFZ-HNNXBMFYSA-N 1 0 380.286 2.792 10 0 GFAERO COC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000245402567 553089835 /nfs/dbraw/zinc/08/98/35/553089835.db2.gz INJDAKSIVLUKDE-UKRRQHHQSA-N 1 0 397.313 2.681 10 0 GFAERO Cn1ncc2c1CCC[C@H]2[N@H+](C)C[C@@H](O)COc1cccc(Br)c1 ZINC000246353220 553106282 /nfs/dbraw/zinc/10/62/82/553106282.db2.gz WJUIFXWJEHFKEH-RHSMWYFYSA-N 1 0 394.313 2.932 10 0 GFAERO Ic1ccc2ncnc(N3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000246990736 553116596 /nfs/dbraw/zinc/11/65/96/553116596.db2.gz NFGJCRTZHYJGEX-LBPRGKRZSA-N 1 0 380.233 2.519 10 0 GFAERO COc1ccc(CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1Br ZINC000247339624 553121498 /nfs/dbraw/zinc/12/14/98/553121498.db2.gz NLSSLUWVYLFPOC-SWLSCSKDSA-N 1 0 384.318 2.986 10 0 GFAERO Brc1ccc(Cc2nc(CN3CC[N@@H+]4CCC[C@H]4C3)no2)cc1 ZINC000247476993 553122551 /nfs/dbraw/zinc/12/25/51/553122551.db2.gz INAWSLVULDKPBD-HNNXBMFYSA-N 1 0 377.286 2.703 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)C[C@H]1C ZINC000247477851 553122843 /nfs/dbraw/zinc/12/28/43/553122843.db2.gz JVUICZCRSHURDQ-KGLIPLIRSA-N 1 0 394.313 2.991 10 0 GFAERO CC[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC[N@@H+]1CCOC ZINC000247769865 553125309 /nfs/dbraw/zinc/12/53/09/553125309.db2.gz OTQWAWYTFMYKJS-HZPDHXFCSA-N 1 0 391.339 2.776 10 0 GFAERO O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247809496 553125912 /nfs/dbraw/zinc/12/59/12/553125912.db2.gz UKXRSBHIJNWWNF-UKRRQHHQSA-N 1 0 385.295 2.737 10 0 GFAERO CC[C@H](Cc1ccccc1Br)[N@H+](C)C[C@@H](O)CN1CCCC1=O ZINC000249490082 553143822 /nfs/dbraw/zinc/14/38/22/553143822.db2.gz ZHHNBNOLGMFHGR-HZPDHXFCSA-N 1 0 383.330 2.685 10 0 GFAERO OC[C@@H]1C[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)C[C@H]1c1ccsc1 ZINC000249538338 553144360 /nfs/dbraw/zinc/14/43/60/553144360.db2.gz DDURUEJYFUOYEN-UHOSZYNNSA-N 1 0 381.925 2.987 10 0 GFAERO Cc1ncsc1CN(Cc1c(Br)cnn1C)C[C@H]1CC[NH2+]C1 ZINC000261917257 553162714 /nfs/dbraw/zinc/16/27/14/553162714.db2.gz JZDVSPLJMBUKMG-LBPRGKRZSA-N 1 0 384.347 2.559 10 0 GFAERO [NH3+]C1(C(=O)Nc2cc(-c3cc(Br)ccc3Cl)[nH]n2)CCOCC1 ZINC000261950007 553163259 /nfs/dbraw/zinc/16/32/59/553163259.db2.gz YWPIYBZXDHVYKS-UHFFFAOYSA-N 1 0 399.676 2.939 10 0 GFAERO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000262669296 553173870 /nfs/dbraw/zinc/17/38/70/553173870.db2.gz MFKZVKVGIDERSI-UNEWFSDZSA-N 1 0 380.330 2.782 10 0 GFAERO Cc1ccc(/C=C/C(=O)NCC(=O)N2CCC([N@H+](C)C3CCCC3)CC2)cc1 ZINC000005057792 570407795 /nfs/dbraw/zinc/40/77/95/570407795.db2.gz MFDZJWYVSFRTHM-VAWYXSNFSA-N 1 0 383.536 2.990 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2cccnc2C)CC1 ZINC000012587221 570882318 /nfs/dbraw/zinc/88/23/18/570882318.db2.gz NSCUIBMMOMZNDD-LJQANCHMSA-N 1 0 386.540 2.623 10 0 GFAERO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CCCC[C@H]1C[NH3+] ZINC000044556790 654659671 /nfs/dbraw/zinc/65/96/71/654659671.db2.gz HRRYFWJDEOJGNV-JTQLQIEISA-N 1 0 397.722 2.613 10 0 GFAERO CC(C)[N@H+]1C[C@H](NC(=O)c2c(F)cccc2I)[C@@H](C)C1 ZINC000127367717 654827884 /nfs/dbraw/zinc/82/78/84/654827884.db2.gz XBETZSLKYAGRAA-GWCFXTLKSA-N 1 0 390.240 2.889 10 0 GFAERO Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000134209122 654986280 /nfs/dbraw/zinc/98/62/80/654986280.db2.gz BHCINMVVKOLUAK-CYBMUJFWSA-N 1 0 388.942 2.814 10 0 GFAERO CCCC(=O)N[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000101564221 655044077 /nfs/dbraw/zinc/04/40/77/655044077.db2.gz JKZBEKFESCBCGW-HOTGVXAUSA-N 1 0 399.329 2.570 10 0 GFAERO CN(C(=O)c1ccc(Br)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000109291581 655144468 /nfs/dbraw/zinc/14/44/68/655144468.db2.gz GMRNMCRUMQCAGY-UHFFFAOYSA-N 1 0 391.313 2.882 10 0 GFAERO CC[C@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1nc(C(F)(F)F)cs1 ZINC000173731159 655178065 /nfs/dbraw/zinc/17/80/65/655178065.db2.gz AIJQOFRRBBJKIA-MNOVXSKESA-N 1 0 380.436 2.585 10 0 GFAERO CC[C@@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1nc(C(F)(F)F)cs1 ZINC000173731197 655178136 /nfs/dbraw/zinc/17/81/36/655178136.db2.gz AIJQOFRRBBJKIA-WDEREUQCSA-N 1 0 380.436 2.585 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)CCCOc2ccc(Cl)cc2Cl)CCO1 ZINC000116790437 655253536 /nfs/dbraw/zinc/25/35/36/655253536.db2.gz GDJGAJPFCGPLTA-AWEZNQCLSA-N 1 0 375.296 2.941 10 0 GFAERO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177682044 655285896 /nfs/dbraw/zinc/28/58/96/655285896.db2.gz JMIRIVCMQVMMFX-LLVKDONJSA-N 1 0 375.778 2.604 10 0 GFAERO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000193457886 655410586 /nfs/dbraw/zinc/41/05/86/655410586.db2.gz XJVDXYOWECMXRQ-HQJQHLMTSA-N 1 0 385.686 2.660 10 0 GFAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000193574861 655411083 /nfs/dbraw/zinc/41/10/83/655411083.db2.gz VLGLJZQHVQHHCB-KOLCDFICSA-N 1 0 399.314 2.750 10 0 GFAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000193574847 655411101 /nfs/dbraw/zinc/41/11/01/655411101.db2.gz VLGLJZQHVQHHCB-GXSJLCMTSA-N 1 0 399.314 2.750 10 0 GFAERO Cn1c(C(=O)N(C(=O)[C@H]2CCC[NH2+]C2)C2CC2)cc2oc(Br)cc21 ZINC000223702026 655422224 /nfs/dbraw/zinc/42/22/24/655422224.db2.gz ALLDSFRWDKLKMF-JTQLQIEISA-N 1 0 394.269 2.665 10 0 GFAERO C[NH2+][C@H](C)CNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000261681393 655441921 /nfs/dbraw/zinc/44/19/21/655441921.db2.gz HOJQRVBVMQYFBW-GFCCVEGCSA-N 1 0 391.313 2.851 10 0 GFAERO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)sc2C)s1 ZINC000262645338 655446541 /nfs/dbraw/zinc/44/65/41/655446541.db2.gz SJIRXMMVSIDHAV-NEPJUHHUSA-N 1 0 378.523 2.882 10 0 GFAERO CC[C@@H](O)C[NH+]1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000118856749 677395675 /nfs/dbraw/zinc/39/56/75/677395675.db2.gz FGKLGWLIGIIYNM-DZGCQCFKSA-N 1 0 388.339 2.559 10 0 GFAERO CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]CCCSC)C2 ZINC000014744891 210126440 /nfs/dbraw/zinc/12/64/40/210126440.db2.gz SEBLSGJSKPDIEK-OAHLLOKOSA-N 1 0 396.626 2.682 10 0 GFAERO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H]([NH2+]Cc1nccs1)CC2 ZINC000014743917 210125232 /nfs/dbraw/zinc/12/52/32/210125232.db2.gz SILXQKGTPKAKGZ-INIZCTEOSA-N 1 0 395.532 2.737 10 0 GFAERO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH+]1CCSCC1)C2 ZINC000014743406 210125020 /nfs/dbraw/zinc/12/50/20/210125020.db2.gz UGNWLHWEZLVDHS-MRXNPFEDSA-N 1 0 376.570 2.681 10 0 GFAERO CN(C)c1ccc(NC(=O)C2CC2)cc1CN(CC[NH+](C)C)C(=O)c1ccco1 ZINC000006723137 209673768 /nfs/dbraw/zinc/67/37/68/209673768.db2.gz CSPKFSBTEDKNIT-UHFFFAOYSA-N 1 0 398.507 2.898 10 0 GFAERO [NH3+][C@H](CNC(=O)COc1ccccc1)c1ccc(C(=O)Nc2ccncc2)cc1 ZINC000090636230 209236531 /nfs/dbraw/zinc/23/65/31/209236531.db2.gz KTJVEIVNATVSOF-HXUWFJFHSA-N 1 0 390.443 2.529 10 0 GFAERO CN(Cc1cccc(Cl)c1)c1ncc(S(C)(=O)=O)c([C@@H]2CCC[NH2+]C2)n1 ZINC000071751885 211055338 /nfs/dbraw/zinc/05/53/38/211055338.db2.gz HYWXLAWUAUWBPX-CQSZACIVSA-N 1 0 394.928 2.637 10 0 GFAERO C[C@@H]1CNC(=O)CC[N@@H+]1Cc1cccc(C(=O)Nc2cccc3n[nH]cc32)c1 ZINC000067833377 211022672 /nfs/dbraw/zinc/02/26/72/211022672.db2.gz RDFOBJGPYNXWDW-CQSZACIVSA-N 1 0 377.448 2.526 10 0 GFAERO COc1ccc(-c2noc(CC(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)n2)cc1 ZINC000021527993 210384357 /nfs/dbraw/zinc/38/43/57/210384357.db2.gz UMMGEBNNBQYBDG-IYBDPMFKSA-N 1 0 386.496 2.772 10 0 GFAERO [NH3+][C@@H]1CCCN(c2nc3ccsc3c(=O)n2CCOc2ccc(F)cc2)C1 ZINC000057344505 527348884 /nfs/dbraw/zinc/34/88/84/527348884.db2.gz XDAPNKSHNGOHQO-CQSZACIVSA-N 1 0 388.468 2.604 10 0 GFAERO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000124116897 551310894 /nfs/dbraw/zinc/31/08/94/551310894.db2.gz KGPDNZQFOCTNFM-JTQLQIEISA-N 1 0 391.871 2.798 10 0 GFAERO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000129242838 551355238 /nfs/dbraw/zinc/35/52/38/551355238.db2.gz BUOCFPGGUVTLBN-NWDGAFQWSA-N 1 0 381.885 2.665 10 0 GFAERO COC[C@H](C)C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000136695193 551389715 /nfs/dbraw/zinc/38/97/15/551389715.db2.gz FQZUZJJQWFDUNB-AWEZNQCLSA-N 1 0 399.329 2.691 10 0 GFAERO Cc1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1Br ZINC000150778013 551401281 /nfs/dbraw/zinc/40/12/81/551401281.db2.gz GAXSOKGBCAQOIO-WFASDCNBSA-N 1 0 382.302 2.541 10 0 GFAERO CC(C)[N@H+]1C[C@H](NC(=O)C(=O)Nc2nc(-c3cccs3)cs2)[C@@H](C)C1 ZINC000150792695 551401530 /nfs/dbraw/zinc/40/15/30/551401530.db2.gz LPRACSJLGDZCKC-RYUDHWBXSA-N 1 0 378.523 2.655 10 0 GFAERO CN1CCO[C@H](CNC(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)C1 ZINC000151304253 551410867 /nfs/dbraw/zinc/41/08/67/551410867.db2.gz IZENEGKUCNPUAH-LLVKDONJSA-N 1 0 381.782 2.733 10 0 GFAERO Cc1ccc(N2CCC[N@H+](C[C@H](O)c3ccccc3Br)CC2)nn1 ZINC000152929152 551443224 /nfs/dbraw/zinc/44/32/24/551443224.db2.gz HWORHNCQNFCUEZ-KRWDZBQOSA-N 1 0 391.313 2.793 10 0 GFAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cncc(I)c1 ZINC000153031360 551445075 /nfs/dbraw/zinc/44/50/75/551445075.db2.gz VJTTZVSTGAHRHQ-CQSZACIVSA-N 1 0 387.265 2.536 10 0 GFAERO Brc1cc2c(c(C[N@@H+]3CCC[C@@H](Cn4cncn4)C3)c1)OCC2 ZINC000153686923 551458611 /nfs/dbraw/zinc/45/86/11/551458611.db2.gz WYRRNTNVOFDMAT-CYBMUJFWSA-N 1 0 377.286 2.888 10 0 GFAERO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(Cl)ncc1Cl ZINC000156141298 551515269 /nfs/dbraw/zinc/51/52/69/551515269.db2.gz NTBLOLSXDKRZKQ-AWEZNQCLSA-N 1 0 380.275 2.537 10 0 GFAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000163185229 551617329 /nfs/dbraw/zinc/61/73/29/551617329.db2.gz WSRQBPXBKAVZTP-GFCCVEGCSA-N 1 0 388.281 2.619 10 0 GFAERO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171781715 551663175 /nfs/dbraw/zinc/66/31/75/551663175.db2.gz CKUAXDQIXXFTCZ-HUUCEWRRSA-N 1 0 393.329 2.517 10 0 GFAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ncc(-c3cccc(Br)c3)o2)C[C@H]1C ZINC000173675835 552090975 /nfs/dbraw/zinc/09/09/75/552090975.db2.gz XJKNVXAVDRCLDX-ZIAGYGMSSA-N 1 0 394.313 2.991 10 0 GFAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(Br)s3)C2=O)n(C)n1 ZINC000173851047 552094157 /nfs/dbraw/zinc/09/41/57/552094157.db2.gz HVLRDUWADDPGNY-LBPRGKRZSA-N 1 0 383.315 2.838 10 0 GFAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(F)c(Br)c3)C2=O)n(C)n1 ZINC000173851920 552094356 /nfs/dbraw/zinc/09/43/56/552094356.db2.gz NPMMSLIMHVFURM-OAHLLOKOSA-N 1 0 395.276 2.915 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(OC)ccc1Br ZINC000175400013 552120650 /nfs/dbraw/zinc/12/06/50/552120650.db2.gz DSIPUKDPBVJXGR-GFCCVEGCSA-N 1 0 391.331 2.563 10 0 GFAERO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)Nc1c(F)cc(F)cc1Br ZINC000177774197 552158530 /nfs/dbraw/zinc/15/85/30/552158530.db2.gz VZBNFFQAXHVHBB-GFCCVEGCSA-N 1 0 388.256 2.836 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(F)c(I)c2)C1 ZINC000178229835 552167466 /nfs/dbraw/zinc/16/74/66/552167466.db2.gz QSYPGMUPXMTTKW-LLVKDONJSA-N 1 0 376.213 2.644 10 0 GFAERO COc1cccc([C@@H]([NH2+]CCCNS(C)(=O)=O)c2ccccc2Cl)c1 ZINC000180035149 552210231 /nfs/dbraw/zinc/21/02/31/552210231.db2.gz QGVNBXGLSMAKCV-GOSISDBHSA-N 1 0 382.913 2.967 10 0 GFAERO CCOc1cc(Br)ccc1NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000181240858 552251057 /nfs/dbraw/zinc/25/10/57/552251057.db2.gz VXVOKHCOGAYFII-CYBMUJFWSA-N 1 0 386.290 2.642 10 0 GFAERO C[C@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1cccc(Br)c1 ZINC000182572321 552287807 /nfs/dbraw/zinc/28/78/07/552287807.db2.gz XJWNQJTYGVKBPI-LBPRGKRZSA-N 1 0 399.310 2.826 10 0 GFAERO C[NH+](C)C[C@H]1CN(Cc2ccc(OC(F)F)c(Br)c2)CCO1 ZINC000183399990 552308632 /nfs/dbraw/zinc/30/86/32/552308632.db2.gz HPSJSLGPOJDMEC-LBPRGKRZSA-N 1 0 379.245 2.813 10 0 GFAERO CC[C@H](O)C[NH+]1CCN([C@@H](C(=O)OC)c2cccc(Cl)c2Cl)CC1 ZINC000183597229 552313921 /nfs/dbraw/zinc/31/39/21/552313921.db2.gz VMDYSGZNSBSSNY-BLLLJJGKSA-N 1 0 375.296 2.596 10 0 GFAERO CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccccc2Br)CC[N@@H+]1C[C@@H](C)O ZINC000184713281 552342715 /nfs/dbraw/zinc/34/27/15/552342715.db2.gz GYUZSGRJTIAHLZ-QLFBSQMISA-N 1 0 398.345 2.997 10 0 GFAERO Brc1ccc([C@@H]([NH2+]CCCN2CCOCC2)c2cncnc2)cc1 ZINC000186073607 552378167 /nfs/dbraw/zinc/37/81/67/552378167.db2.gz MHRUQTLDEMNMDA-GOSISDBHSA-N 1 0 391.313 2.640 10 0 GFAERO CC(C)[N@H+]1C[C@H](NC(=O)Cc2ccc(I)cc2)[C@@H](C)C1 ZINC000192055793 552548329 /nfs/dbraw/zinc/54/83/29/552548329.db2.gz JRGBEXAWBDDFRH-WFASDCNBSA-N 1 0 386.277 2.679 10 0 GFAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000192680619 552971058 /nfs/dbraw/zinc/97/10/58/552971058.db2.gz KVBKLOPPERRJIP-QWHCGFSZSA-N 1 0 381.523 2.676 10 0 GFAERO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(I)c(Cl)c1 ZINC000226791892 553062068 /nfs/dbraw/zinc/06/20/68/553062068.db2.gz VVBOTHHQQXNMKX-SNVBAGLBSA-N 1 0 378.641 2.769 10 0 GFAERO C[C@@H]1C[N@H+](CC2=Cc3cc(Br)ccc3OC2)C[C@H]1N1CCOCC1 ZINC000245749917 553096104 /nfs/dbraw/zinc/09/61/04/553096104.db2.gz NPGMHAKEJLIYQA-RDTXWAMCSA-N 1 0 393.325 2.877 10 0 GFAERO C[C@H]1C[N@H+](CC2=Cc3cc(Br)ccc3OC2)C[C@H]1N1CCOCC1 ZINC000245749916 553096572 /nfs/dbraw/zinc/09/65/72/553096572.db2.gz NPGMHAKEJLIYQA-KBXCAEBGSA-N 1 0 393.325 2.877 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(Br)c3cccnc23)C[C@H]1C ZINC000245933308 553099877 /nfs/dbraw/zinc/09/98/77/553099877.db2.gz INVIZNANRLBZOC-KGLIPLIRSA-N 1 0 378.314 2.884 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ncnc2ccc(I)cc21 ZINC000246157449 553103358 /nfs/dbraw/zinc/10/33/58/553103358.db2.gz HGQOFPQZSZOEMW-AAEUAGOBSA-N 1 0 394.260 2.907 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2cc(Cl)ccc2Br)C[C@@H]1C ZINC000246183972 553103734 /nfs/dbraw/zinc/10/37/34/553103734.db2.gz HMIRFIGSLPFCPO-RYUDHWBXSA-N 1 0 389.721 2.559 10 0 GFAERO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c(Br)c1 ZINC000246496095 553108433 /nfs/dbraw/zinc/10/84/33/553108433.db2.gz RSDYSEPJWOOPQT-IUODEOHRSA-N 1 0 382.302 2.541 10 0 GFAERO O=C(N[C@H]1CCN(c2ccccc2Br)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246547625 553108990 /nfs/dbraw/zinc/10/89/90/553108990.db2.gz CKUAXDQIXXFTCZ-GJZGRUSLSA-N 1 0 393.329 2.517 10 0 GFAERO O[C@@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246707149 553112201 /nfs/dbraw/zinc/11/22/01/553112201.db2.gz NOCDQQGXRGSHDX-CRAIPNDOSA-N 1 0 393.281 2.737 10 0 GFAERO COc1cc(Cl)c(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1Cl ZINC000246813340 553113759 /nfs/dbraw/zinc/11/37/59/553113759.db2.gz CDYASUGFKSFHBC-QWRGUYRKSA-N 1 0 379.309 2.859 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(I)c(F)c1 ZINC000247022278 553117180 /nfs/dbraw/zinc/11/71/80/553117180.db2.gz GDPXMFGTUHNAIZ-JQWIXIFHSA-N 1 0 388.224 2.739 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1csc(I)c1 ZINC000247527703 553123497 /nfs/dbraw/zinc/12/34/97/553123497.db2.gz XGBKJIXWGNQWCU-KOLCDFICSA-N 1 0 376.263 2.661 10 0 GFAERO C[C@@H](C(=O)Nc1nccs1)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000247548100 553124083 /nfs/dbraw/zinc/12/40/83/553124083.db2.gz DRJWFTUJVNRRRX-UONOGXRCSA-N 1 0 380.539 2.537 10 0 GFAERO Cn1ncc(Br)c1CN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000261658794 553155308 /nfs/dbraw/zinc/15/53/08/553155308.db2.gz BLYBFMRAGJGOTB-HNNXBMFYSA-N 1 0 378.318 2.722 10 0 GFAERO COc1c(Br)cc(Br)cc1CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000261944127 553163425 /nfs/dbraw/zinc/16/34/25/553163425.db2.gz FBPLVWBQYKNTOZ-QPUJVOFHSA-N 1 0 378.108 2.999 10 0 GFAERO Brc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)C1 ZINC000261984278 553163991 /nfs/dbraw/zinc/16/39/91/553163991.db2.gz RYSFKQLZPRZLQZ-ONIAQPFYSA-N 1 0 394.357 2.775 10 0 GFAERO C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Br)C[C@@H]1[NH+](C)C ZINC000282364552 563408861 /nfs/dbraw/zinc/40/88/61/563408861.db2.gz UPUSLTMNCGAAPJ-CABZTGNLSA-N 1 0 381.723 2.673 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(F)c1I ZINC000533543943 564965333 /nfs/dbraw/zinc/96/53/33/564965333.db2.gz YPFIFYWIJMDAFS-QWRGUYRKSA-N 1 0 388.224 2.739 10 0 GFAERO CN1C[C@@H](C[NH2+]Cc2cc(Cl)ccc2I)CC1=O ZINC000594982758 565439799 /nfs/dbraw/zinc/43/97/99/565439799.db2.gz GKCBPFYCZWQPSM-SECBINFHSA-N 1 0 378.641 2.513 10 0 GFAERO Cc1nc(C)c(Cc2cccc(F)c2)c(N2CC[NH+](C[C@H](O)C(C)C)CC2)n1 ZINC000036340168 570625302 /nfs/dbraw/zinc/62/53/02/570625302.db2.gz XYGMEVZGOQDLSY-NRFANRHFSA-N 1 0 386.515 2.962 10 0 GFAERO Cc1cc(C)c(C(=O)N2CCC(CC(=O)NCC[N@H+]3CCCC[C@@H]3C)CC2)[nH]1 ZINC000033024359 570653140 /nfs/dbraw/zinc/65/31/40/570653140.db2.gz HTDVMIWYZXCGDB-SFHVURJKSA-N 1 0 388.556 2.864 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2cccnc2C)CC1 ZINC000012587227 570882227 /nfs/dbraw/zinc/88/22/27/570882227.db2.gz NSCUIBMMOMZNDD-IBGZPJMESA-N 1 0 386.540 2.623 10 0 GFAERO C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000025695686 654552450 /nfs/dbraw/zinc/55/24/50/654552450.db2.gz JTZXRRXPJAMWRY-BBRMVZONSA-N 1 0 383.897 2.834 10 0 GFAERO C[C@@H](Sc1nc2ccccc2s1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000133612765 654968399 /nfs/dbraw/zinc/96/83/99/654968399.db2.gz MJDGQOTUDCYALL-KGLIPLIRSA-N 1 0 379.551 2.740 10 0 GFAERO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCCO2)cc(I)c1OC ZINC000068840005 654968711 /nfs/dbraw/zinc/96/87/11/654968711.db2.gz ISDKWURLMBEDFB-GWCFXTLKSA-N 1 0 391.249 2.966 10 0 GFAERO COCC[N@@H+]1CCN(Cn2ccc(-c3ccc(Br)cc3)n2)C[C@H]1C ZINC000159966232 655118212 /nfs/dbraw/zinc/11/82/12/655118212.db2.gz CFRBWCXSCQVIMZ-OAHLLOKOSA-N 1 0 393.329 2.923 10 0 GFAERO C[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)c1ccccc1Br ZINC000173400322 655170090 /nfs/dbraw/zinc/17/00/90/655170090.db2.gz FAAONALWDYGSQE-LSDHHAIUSA-N 1 0 397.361 2.693 10 0 GFAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)c1 ZINC000112552319 655193528 /nfs/dbraw/zinc/19/35/28/655193528.db2.gz VUBKWYUWFJIGAW-CQSZACIVSA-N 1 0 379.302 2.591 10 0 GFAERO COc1cc(Br)ccc1C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176442529 655245449 /nfs/dbraw/zinc/24/54/49/655245449.db2.gz CDCRCAJRENGTQD-CYBMUJFWSA-N 1 0 399.329 2.623 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(I)cc1 ZINC000177087370 655267906 /nfs/dbraw/zinc/26/79/06/655267906.db2.gz GWLUXYZYVUGOIY-BXUZGUMPSA-N 1 0 385.249 2.992 10 0 GFAERO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)c1O ZINC000181563200 655338949 /nfs/dbraw/zinc/33/89/49/655338949.db2.gz UPCUXSGBEWOCBQ-SNVBAGLBSA-N 1 0 382.869 2.746 10 0 GFAERO COCC[N@@H+]1CCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)C[C@@H]1C ZINC000120826799 655344822 /nfs/dbraw/zinc/34/48/22/655344822.db2.gz LFFAUOMTAGOHAU-AWEZNQCLSA-N 1 0 393.329 2.992 10 0 GFAERO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000193506814 655410749 /nfs/dbraw/zinc/41/07/49/655410749.db2.gz SJDYQHUEGGQZFP-TZMCWYRMSA-N 1 0 377.286 2.814 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000194153701 655414388 /nfs/dbraw/zinc/41/43/88/655414388.db2.gz YLVGNYYBHLJLQR-LLVKDONJSA-N 1 0 375.416 2.838 10 0 GFAERO CC[C@@H]1CN(C(=O)c2ccc(OC(F)(F)Cl)cc2)CC[N@@H+]1C[C@H](C)O ZINC000248819703 655433331 /nfs/dbraw/zinc/43/33/31/655433331.db2.gz WJSVYQVRCHHIMD-GXTWGEPZSA-N 1 0 376.831 2.772 10 0 GFAERO C[C@H]([NH2+]Cc1cn(C)nc1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000720661575 655524685 /nfs/dbraw/zinc/52/46/85/655524685.db2.gz ZHOZRWQVLJOVTK-NWDGAFQWSA-N 1 0 387.322 2.918 10 0 GFAERO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH+]1CCSCC1)C2 ZINC000014744521 210127451 /nfs/dbraw/zinc/12/74/51/210127451.db2.gz YKOYGMKJVYZNKO-INIZCTEOSA-N 1 0 376.570 2.825 10 0 GFAERO Cn1nc(C(=O)NCc2ccncc2)c2c1CC[C@H]([NH2+]Cc1cccc(F)c1)C2 ZINC000014537117 210119787 /nfs/dbraw/zinc/11/97/87/210119787.db2.gz JCLAANNFSNDIBL-SFHVURJKSA-N 1 0 393.466 2.531 10 0 GFAERO CC[NH+](CC)CCCNCc1ccc(OCC(=O)NC(C)(C)C)c(OC)c1 ZINC000013734335 210085779 /nfs/dbraw/zinc/08/57/79/210085779.db2.gz UFWNBANGMWGKFT-UHFFFAOYSA-N 1 0 379.545 2.810 10 0 GFAERO O=C(NCC[NH+]1CCCCC1)c1ccc2c(c1)CC(=O)N2Cc1ccccc1 ZINC000096386245 211338672 /nfs/dbraw/zinc/33/86/72/211338672.db2.gz BQYPFUANBFWAHD-UHFFFAOYSA-N 1 0 377.488 2.992 10 0 GFAERO C[C@@H](CNC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C[NH+]1CCCCC1 ZINC000057042521 210894488 /nfs/dbraw/zinc/89/44/88/210894488.db2.gz PDIXLBSMHNNYNW-HOTGVXAUSA-N 1 0 381.542 2.572 10 0 GFAERO Nc1ccc2c(c1)C=[NH+]CCN2C(=O)c1cccc(I)c1 ZINC000073642226 210746458 /nfs/dbraw/zinc/74/64/58/210746458.db2.gz NYEBORZYYRSQBA-UHFFFAOYSA-N 1 0 391.212 2.953 10 0 GFAERO CN(C)c1cn[nH+]c(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000224308433 136206732 /nfs/dbraw/zinc/20/67/32/136206732.db2.gz JKQLYNCOXMHRTD-UHFFFAOYSA-N 1 0 379.386 2.524 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1cccc(I)c1 ZINC000121802102 551243067 /nfs/dbraw/zinc/24/30/67/551243067.db2.gz OWKOGIQZTDNPIP-HNNXBMFYSA-N 1 0 386.277 2.776 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000122526587 551299339 /nfs/dbraw/zinc/29/93/39/551299339.db2.gz ALOQDJOEGKHVLP-LBPRGKRZSA-N 1 0 395.305 2.882 10 0 GFAERO COCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccccc2Br)CC1 ZINC000140214336 551393481 /nfs/dbraw/zinc/39/34/81/551393481.db2.gz BLXBCHKLQPJSIA-ZDUSSCGKSA-N 1 0 384.318 2.920 10 0 GFAERO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000150778123 551401307 /nfs/dbraw/zinc/40/13/07/551401307.db2.gz GSASNDRREHPZHZ-ZFWWWQNUSA-N 1 0 396.329 2.849 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000151865814 551422535 /nfs/dbraw/zinc/42/25/35/551422535.db2.gz CCRCHORDFYOZJI-LLVKDONJSA-N 1 0 388.693 2.642 10 0 GFAERO CCc1c(C(=O)N2CC[C@H]([NH+](C)C)C2)cnn1-c1ccc(Br)cc1 ZINC000170865643 551641917 /nfs/dbraw/zinc/64/19/17/551641917.db2.gz NSZCNLHNBMXVDF-HNNXBMFYSA-N 1 0 391.313 2.973 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(I)c1 ZINC000174974885 552113053 /nfs/dbraw/zinc/11/30/53/552113053.db2.gz PPAKHIDZWGSVSD-LSDHHAIUSA-N 1 0 384.261 2.990 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(S(=O)(=O)CC)ccc1Cl ZINC000175022202 552114134 /nfs/dbraw/zinc/11/41/34/552114134.db2.gz CIMPAWKOKLCMCQ-ZIAGYGMSSA-N 1 0 384.929 2.832 10 0 GFAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CCc2ccc(Br)cc2)CC1 ZINC000178320052 552169188 /nfs/dbraw/zinc/16/91/88/552169188.db2.gz CADYIYLTVDXBHS-OAHLLOKOSA-N 1 0 397.357 2.933 10 0 GFAERO Cc1cc(NC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cnc1Br ZINC000182433329 552283774 /nfs/dbraw/zinc/28/37/74/552283774.db2.gz DESLGKNEXQDCCA-CYBMUJFWSA-N 1 0 399.333 2.709 10 0 GFAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000182976191 552297292 /nfs/dbraw/zinc/29/72/92/552297292.db2.gz DBAGBYWZKOXNQS-VHSXEESVSA-N 1 0 387.914 2.727 10 0 GFAERO CCCNC(=O)CC[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186122608 552380067 /nfs/dbraw/zinc/38/00/67/552380067.db2.gz GSPPLHKNIUJSRV-QGZVFWFLSA-N 1 0 377.286 2.834 10 0 GFAERO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1)CC2 ZINC000186165788 552380605 /nfs/dbraw/zinc/38/06/05/552380605.db2.gz BOISDVBYUYSVFW-WMZOPIPTSA-N 1 0 399.296 2.833 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(I)c(O)c1 ZINC000230900352 553065588 /nfs/dbraw/zinc/06/55/88/553065588.db2.gz MWGYQCRPMJBSDA-LBPRGKRZSA-N 1 0 388.249 2.553 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(Br)c3cccnc23)C[C@@H]1C ZINC000245933306 553099848 /nfs/dbraw/zinc/09/98/48/553099848.db2.gz INVIZNANRLBZOC-KBPBESRZSA-N 1 0 378.314 2.884 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000246916692 553115997 /nfs/dbraw/zinc/11/59/97/553115997.db2.gz ITDHTGADEVXSNM-STQMWFEESA-N 1 0 381.270 2.877 10 0 GFAERO CCOCCN1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@H]1C ZINC000246961968 553116755 /nfs/dbraw/zinc/11/67/55/553116755.db2.gz BSDQHBJGKNZHKK-OAHLLOKOSA-N 1 0 398.345 2.820 10 0 GFAERO CC[C@@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000247539381 553123340 /nfs/dbraw/zinc/12/33/40/553123340.db2.gz CWHOOLXGSSEOGW-IMJJTQAJSA-N 1 0 391.339 2.510 10 0 GFAERO CN(Cc1cc(Br)cs1)C(=O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248358353 553128741 /nfs/dbraw/zinc/12/87/41/553128741.db2.gz QRRTXXAQPNVLDQ-AWEZNQCLSA-N 1 0 386.359 2.639 10 0 GFAERO CC[C@H]1CN(C(=O)NCc2ccc(Br)cc2C)CC[N@@H+]1C[C@H](C)O ZINC000248483574 553130419 /nfs/dbraw/zinc/13/04/19/553130419.db2.gz JMTRKQSYLNIQTM-YOEHRIQHSA-N 1 0 398.345 2.744 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Br)c(C)nc1OC ZINC000249147527 553140151 /nfs/dbraw/zinc/14/01/51/553140151.db2.gz UYLPHZYMWXCRAT-OLZOCXBDSA-N 1 0 382.302 2.860 10 0 GFAERO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1Br ZINC000249152625 553140447 /nfs/dbraw/zinc/14/04/47/553140447.db2.gz YJJNDXCITHGARI-CZUORRHYSA-N 1 0 396.329 2.849 10 0 GFAERO CCOC(=O)c1sc2ccsc2c1CNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261891437 553162235 /nfs/dbraw/zinc/16/22/35/553162235.db2.gz VQDGYFFRAJMFKU-CYBMUJFWSA-N 1 0 382.507 2.510 10 0 GFAERO CCOC(=O)c1sc2ccsc2c1CNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261892494 553162261 /nfs/dbraw/zinc/16/22/61/553162261.db2.gz VQDGYFFRAJMFKU-ZDUSSCGKSA-N 1 0 382.507 2.510 10 0 GFAERO CC[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)ccc2I)C1 ZINC000389973838 563522951 /nfs/dbraw/zinc/52/29/51/563522951.db2.gz IFIXKWLUGKVCAV-JTQLQIEISA-N 1 0 378.641 2.769 10 0 GFAERO CC[NH+]1CCN(c2ccc(NC(=O)C3CCN(C(=O)C4CC4)CC3)c(C)c2)CC1 ZINC000029374570 570472809 /nfs/dbraw/zinc/47/28/09/570472809.db2.gz BTPRBEQLTRZDSP-UHFFFAOYSA-N 1 0 398.551 2.724 10 0 GFAERO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000025695680 654552571 /nfs/dbraw/zinc/55/25/71/654552571.db2.gz JTZXRRXPJAMWRY-XJKSGUPXSA-N 1 0 383.897 2.834 10 0 GFAERO C[C@@H](NC(=O)NC1CCN(CC[NH+](C)C)CC1)c1cccc(Br)c1 ZINC000123780733 654763530 /nfs/dbraw/zinc/76/35/30/654763530.db2.gz GCGSWGPZTOFNAO-CQSZACIVSA-N 1 0 397.361 2.835 10 0 GFAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cnc(Br)c(Br)c2)C1 ZINC000136522298 655032697 /nfs/dbraw/zinc/03/26/97/655032697.db2.gz XYYWXXHMMIDBLP-SECBINFHSA-N 1 0 392.095 2.774 10 0 GFAERO CC[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(Br)cc2)CC[N@@H+]1CCOC ZINC000106116121 655103407 /nfs/dbraw/zinc/10/34/07/655103407.db2.gz YIUDFKOSJFALMH-WMLDXEAASA-N 1 0 398.345 2.819 10 0 GFAERO COc1ccc(Br)cc1CN1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000106156430 655104034 /nfs/dbraw/zinc/10/40/34/655104034.db2.gz LIBSRGFDVMNIGT-UHFFFAOYSA-N 1 0 393.329 2.899 10 0 GFAERO CCOC(=O)C[C@H](NC(=O)[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000158175396 655105179 /nfs/dbraw/zinc/10/51/79/655105179.db2.gz OKCGTAYWXJTTLL-ZFWWWQNUSA-N 1 0 383.286 2.559 10 0 GFAERO CCOC(=O)C[C@H](NC(=O)C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000158174134 655105204 /nfs/dbraw/zinc/10/52/04/655105204.db2.gz RFJKTLGAHBFYFF-HNNXBMFYSA-N 1 0 383.286 2.559 10 0 GFAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(Br)cc1)CC2 ZINC000112550890 655193414 /nfs/dbraw/zinc/19/34/14/655193414.db2.gz QAGKKYQGOPUYMN-RISCZKNCSA-N 1 0 392.301 2.535 10 0 GFAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCc2ccc(Br)s2)C[C@H]1C ZINC000174338056 655199859 /nfs/dbraw/zinc/19/98/59/655199859.db2.gz RWIQXJUKJJMCLZ-CHWSQXEVSA-N 1 0 389.359 2.747 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000113305913 655207984 /nfs/dbraw/zinc/20/79/84/655207984.db2.gz REOBXKNCZWCKTF-WDEREUQCSA-N 1 0 380.844 2.799 10 0 GFAERO COc1cc(Br)ccc1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000176442509 655245299 /nfs/dbraw/zinc/24/52/99/655245299.db2.gz CDCRCAJRENGTQD-ZDUSSCGKSA-N 1 0 399.329 2.623 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCC2)CCO1 ZINC000116791858 655253579 /nfs/dbraw/zinc/25/35/79/655253579.db2.gz HQCIXXRVOIXLFM-INIZCTEOSA-N 1 0 381.314 2.660 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(I)ccc1O ZINC000177423148 655276206 /nfs/dbraw/zinc/27/62/06/655276206.db2.gz CQRJATYOJJBIPS-LBPRGKRZSA-N 1 0 388.249 2.553 10 0 GFAERO C[NH+](C)C[C@@H]1CN(Cc2ncc(-c3ccccc3Br)o2)CCO1 ZINC000119301117 655297659 /nfs/dbraw/zinc/29/76/59/655297659.db2.gz DJNDFTWLGDDSJN-CYBMUJFWSA-N 1 0 380.286 2.867 10 0 GFAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000193574833 655411064 /nfs/dbraw/zinc/41/10/64/655411064.db2.gz VLGLJZQHVQHHCB-MWLCHTKSSA-N 1 0 399.314 2.750 10 0 GFAERO CN1CCO[C@@H](C[NH2+]Cc2cc(Br)c(Br)s2)C1 ZINC000227841200 655423108 /nfs/dbraw/zinc/42/31/08/655423108.db2.gz FIUNOWSLUAJKIJ-QMMMGPOBSA-N 1 0 384.137 2.693 10 0 GFAERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000248604311 655432782 /nfs/dbraw/zinc/43/27/82/655432782.db2.gz VCYIGRGMBXHKLS-VXGBXAGGSA-N 1 0 375.878 2.564 10 0 GFAERO C[NH2+][C@H](C)CNS(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000261766338 655442169 /nfs/dbraw/zinc/44/21/69/655442169.db2.gz OVGXETKLYIXCAA-ZCFIWIBFSA-N 1 0 376.103 2.642 10 0 GFAERO Brc1cccc(-c2noc(-c3ncn([C@H]4CCC[NH2+]C4)n3)n2)c1 ZINC000261861106 655442816 /nfs/dbraw/zinc/44/28/16/655442816.db2.gz UHOSJIHMXCJGKJ-LBPRGKRZSA-N 1 0 375.230 2.682 10 0 GFAERO [NH3+]C1(C(=O)Nc2ncc(Cc3cccc(Br)c3)s2)CCOCC1 ZINC000261947147 655443193 /nfs/dbraw/zinc/44/31/93/655443193.db2.gz YJKKXQNVFIASOB-UHFFFAOYSA-N 1 0 396.310 2.943 10 0 GFAERO C[C@@H]([NH2+]Cc1cn(C)nc1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000720661577 655524615 /nfs/dbraw/zinc/52/46/15/655524615.db2.gz ZHOZRWQVLJOVTK-VXGBXAGGSA-N 1 0 387.322 2.918 10 0 GFAERO CN1C[C@@H](C[NH2+]Cc2cc(Br)c(Br)s2)CC1=O ZINC000723570197 655525573 /nfs/dbraw/zinc/52/55/73/655525573.db2.gz CZVGDEOBUSGRDS-SSDOTTSWSA-N 1 0 382.121 2.841 10 0 GFAERO CC[C@@H](O)C[NH+]1CCN(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000118856754 677395620 /nfs/dbraw/zinc/39/56/20/677395620.db2.gz FGKLGWLIGIIYNM-UKRRQHHQSA-N 1 0 388.339 2.559 10 0 GFAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCn2cc(Br)cn2)C1 ZINC000381068121 677405918 /nfs/dbraw/zinc/40/59/18/677405918.db2.gz NVBLVILKWZKXFI-CYBMUJFWSA-N 1 0 387.322 2.882 10 0 GFAERO COc1ccc(C[NH2+][C@@H]2CCc3c(c(C(=O)N4CCCCC4)nn3C)C2)cc1 ZINC000014732734 210124701 /nfs/dbraw/zinc/12/47/01/210124701.db2.gz ARTSRUUUQIKSLO-QGZVFWFLSA-N 1 0 382.508 2.702 10 0 GFAERO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]CC1(O)CCCCC1)C2 ZINC000014743946 210124723 /nfs/dbraw/zinc/12/47/23/210124723.db2.gz QAISSAGJLZQREI-KRWDZBQOSA-N 1 0 388.556 2.671 10 0 GFAERO COc1ccccc1C[NH2+][C@@H]1CCc2c(c(C(=O)N3CCCCC3)nn2C)C1 ZINC000014731858 210124115 /nfs/dbraw/zinc/12/41/15/210124115.db2.gz GURFGSILDYAMJE-QGZVFWFLSA-N 1 0 382.508 2.702 10 0 GFAERO O=c1[nH]c2ccccc2c(=O)n1CC[N@@H+]1C[C@H]2[C@H](C[C@@H]2c2ccc(F)cc2)C1 ZINC000003822014 209229707 /nfs/dbraw/zinc/22/97/07/209229707.db2.gz XLJWJFKYRFPJSD-LZQZEXGQSA-N 1 0 379.435 2.564 10 0 in-man GFAERO CCn1cc(CN2CCC[C@@H]([N@@H+]3CCc4cc(OC)c(OC)cc4C3)C2)cn1 ZINC000023372862 209175355 /nfs/dbraw/zinc/17/53/55/209175355.db2.gz ZYQHNVYIULBUAO-HXUWFJFHSA-N 1 0 384.524 2.943 10 0 GFAERO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1noc3c1CCCC3)CC2 ZINC000096152984 211311033 /nfs/dbraw/zinc/31/10/33/211311033.db2.gz AGVIBOYGVJZTEM-UHFFFAOYSA-N 1 0 383.496 2.676 10 0 GFAERO C[NH+](C)CCN1CC[NH+]([C@@H](C(=O)[O-])c2ccc(Oc3ccccc3)cc2)CC1 ZINC000095384632 211234400 /nfs/dbraw/zinc/23/44/00/211234400.db2.gz SRKCPFKUDHJYQN-OAQYLSRUSA-N 1 0 383.492 2.784 10 0 GFAERO Cc1cnc(CN2C[C@]3(CCC[N@H+](CCc4ccccn4)C3)CCC2=O)cn1 ZINC000092062453 211213872 /nfs/dbraw/zinc/21/38/72/211213872.db2.gz LBPMABQZKTYUSI-JOCHJYFZSA-N 1 0 379.508 2.627 10 0 GFAERO CCn1ccnc1CN1CCC[C@@H]([N@@H+]2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000019770281 210295867 /nfs/dbraw/zinc/29/58/67/210295867.db2.gz PHESWHFTJYKBQP-LJQANCHMSA-N 1 0 384.524 2.943 10 0 GFAERO Cc1cccc(CN2CCN(c3nc(CC[NH3+])nc4ccccc43)[C@@H](C)C2=O)c1 ZINC000065493936 136164073 /nfs/dbraw/zinc/16/40/73/136164073.db2.gz DSUIEHPKRJZCTC-KRWDZBQOSA-N 1 0 389.503 2.677 10 0 GFAERO COc1cc2[nH]c(=O)n(C3CC[NH+](Cc4ccccc4)CC3)c(=O)c2cc1OC ZINC000073658067 522986537 /nfs/dbraw/zinc/98/65/37/522986537.db2.gz QWGKGMFFUZOQQA-UHFFFAOYSA-N 1 0 395.459 2.544 10 0 GFAERO NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1cccc(OCc3ccccc3)c1)CC2 ZINC000275534254 527098365 /nfs/dbraw/zinc/09/83/65/527098365.db2.gz MDMFUOPRLRKOFV-IBGZPJMESA-N 1 0 390.487 2.913 10 0 GFAERO CCN(CC)C(=O)c1cc(NC(=O)c2cccc(C)c2)cnc1N1CC[NH2+]CC1 ZINC000065025377 535472929 /nfs/dbraw/zinc/47/29/29/535472929.db2.gz WVAKQGYXQLTUNF-UHFFFAOYSA-N 1 0 395.507 2.534 10 0 GFAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000049191469 551158096 /nfs/dbraw/zinc/15/80/96/551158096.db2.gz CXUMSZZNNWRHKF-WMLDXEAASA-N 1 0 398.345 2.526 10 0 GFAERO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000150712133 551400409 /nfs/dbraw/zinc/40/04/09/551400409.db2.gz LHIWKNJCYNTYTB-UWVGGRQHSA-N 1 0 377.794 2.883 10 0 GFAERO Cc1ccc(I)cc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000154810667 551483335 /nfs/dbraw/zinc/48/33/35/551483335.db2.gz RQEWVLQNOAKNOL-GXTWGEPZSA-N 1 0 384.261 2.908 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(OC)cc2I)C1 ZINC000155678578 551505958 /nfs/dbraw/zinc/50/59/58/551505958.db2.gz WWZKZKGNRPYSOH-LLVKDONJSA-N 1 0 388.249 2.514 10 0 GFAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000156206345 551516982 /nfs/dbraw/zinc/51/69/82/551516982.db2.gz ATFGNRGQTYUVFY-CYBMUJFWSA-N 1 0 385.306 2.534 10 0 GFAERO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1Br ZINC000159320775 551563559 /nfs/dbraw/zinc/56/35/59/551563559.db2.gz RIOLVJJXOOIIOY-INIZCTEOSA-N 1 0 389.293 2.598 10 0 GFAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000163185102 551617268 /nfs/dbraw/zinc/61/72/68/551617268.db2.gz WSRQBPXBKAVZTP-LBPRGKRZSA-N 1 0 388.281 2.619 10 0 GFAERO COc1ccc(Br)cc1CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000172257978 551674491 /nfs/dbraw/zinc/67/44/91/551674491.db2.gz QOZGQCRQWHBRHD-IUODEOHRSA-N 1 0 382.302 2.836 10 0 GFAERO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174202461 552102503 /nfs/dbraw/zinc/10/25/03/552102503.db2.gz IZDSHRVCTMWPSJ-KGLIPLIRSA-N 1 0 387.307 2.941 10 0 GFAERO C[C@H]([NH2+]C[C@H](O)COc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000176696113 552143962 /nfs/dbraw/zinc/14/39/62/552143962.db2.gz YEQZPSVXTWCCLY-ZFWWWQNUSA-N 1 0 383.897 2.834 10 0 GFAERO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000176696128 552144305 /nfs/dbraw/zinc/14/43/05/552144305.db2.gz YEQZPSVXTWCCLY-HIFRSBDPSA-N 1 0 383.897 2.834 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)NC(C)(C)COc2ncccc2Br)C1 ZINC000185592228 552366684 /nfs/dbraw/zinc/36/66/84/552366684.db2.gz QHUSZPIPDLBUFW-ZDUSSCGKSA-N 1 0 399.333 2.785 10 0 GFAERO COCC[C@@](C)(O)C[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186196311 552381564 /nfs/dbraw/zinc/38/15/64/552381564.db2.gz QONVLGNEEOQTHZ-IAGOWNOFSA-N 1 0 380.286 2.706 10 0 GFAERO Cc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000188130033 552436094 /nfs/dbraw/zinc/43/60/94/552436094.db2.gz XDQKFYCQIISTBG-SWLSCSKDSA-N 1 0 382.302 2.541 10 0 GFAERO C[C@H](C[N@H+](C)C[C@H](O)CN1CCCC1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000190362850 552494006 /nfs/dbraw/zinc/49/40/06/552494006.db2.gz ATUPIDJKKIDMAR-OLZOCXBDSA-N 1 0 375.296 2.676 10 0 GFAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c(C)noc2Cl)C1 ZINC000190562211 552501345 /nfs/dbraw/zinc/50/13/45/552501345.db2.gz XVHHGVMDSVRWGT-ZDUSSCGKSA-N 1 0 382.917 2.924 10 0 GFAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)CSCc2cscn2)C1 ZINC000190620811 552503366 /nfs/dbraw/zinc/50/33/66/552503366.db2.gz CUJMYUGJKWZTMH-MRXNPFEDSA-N 1 0 376.551 2.752 10 0 GFAERO C[C@H](NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000192800169 552973750 /nfs/dbraw/zinc/97/37/50/552973750.db2.gz GLJKQLUAUZSIQW-XJKSGUPXSA-N 1 0 384.318 2.656 10 0 GFAERO C[C@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000237523144 553078842 /nfs/dbraw/zinc/07/88/42/553078842.db2.gz OZFYXLCZKAZKKS-SDDRHHMPSA-N 1 0 383.286 2.915 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000247085652 553118677 /nfs/dbraw/zinc/11/86/77/553118677.db2.gz ZOHPALJZGRJSGP-ZIAGYGMSSA-N 1 0 384.307 2.947 10 0 GFAERO Cc1csc(CNC(=O)NC[C@H](c2cccs2)N2CCO[C@@H](C)C2)n1 ZINC000247098883 553118705 /nfs/dbraw/zinc/11/87/05/553118705.db2.gz WDILXLCAOZPAAB-UONOGXRCSA-N 1 0 380.539 2.774 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000247465516 553122606 /nfs/dbraw/zinc/12/26/06/553122606.db2.gz REOBXKNCZWCKTF-MNOVXSKESA-N 1 0 380.844 2.799 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)C[C@@H]1C ZINC000247477841 553122961 /nfs/dbraw/zinc/12/29/61/553122961.db2.gz JVUICZCRSHURDQ-KBPBESRZSA-N 1 0 394.313 2.991 10 0 GFAERO CC[C@@H]1CN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000247573412 553123875 /nfs/dbraw/zinc/12/38/75/553123875.db2.gz HKYCLVWDSOSFRB-FVQBIDKESA-N 1 0 391.339 2.510 10 0 GFAERO C[N@H+](C[C@@H](O)c1cccc(Br)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000247869134 553125683 /nfs/dbraw/zinc/12/56/83/553125683.db2.gz XGLVVYICTYYNAB-DLBZAZTESA-N 1 0 391.313 2.873 10 0 GFAERO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1Br ZINC000249152623 553140504 /nfs/dbraw/zinc/14/05/04/553140504.db2.gz YJJNDXCITHGARI-CJNGLKHVSA-N 1 0 396.329 2.849 10 0 GFAERO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3ccc4cc(Br)ccc4c3)C[C@H]12 ZINC000249555115 553144456 /nfs/dbraw/zinc/14/44/56/553144456.db2.gz LTIULFUKKMMNLF-RRQGHBQHSA-N 1 0 395.322 2.960 10 0 GFAERO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)Oc1cccc(Br)c1 ZINC000261886609 553162104 /nfs/dbraw/zinc/16/21/04/553162104.db2.gz FXXHSANVWZXIOI-BVPBIZIASA-N 1 0 383.330 2.963 10 0 GFAERO C[C@@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@H]1C[NH3+] ZINC000638913335 565218112 /nfs/dbraw/zinc/21/81/12/565218112.db2.gz LPRWSQPGKFAUDL-RNFRBKRXSA-N 1 0 382.121 2.940 10 0 GFAERO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@H]1C[NH3+] ZINC000602592239 565856455 /nfs/dbraw/zinc/85/64/55/565856455.db2.gz IEPFKSXDSPXDKG-RKDXNWHRSA-N 1 0 378.641 2.611 10 0 GFAERO [NH3+][C@H]1CCCN(S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000122366333 654735514 /nfs/dbraw/zinc/73/55/14/654735514.db2.gz MMPCERAFUFULID-JTQLQIEISA-N 1 0 387.221 2.580 10 0 GFAERO CCOCCN1CC[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@@H]1C ZINC000124600701 654779144 /nfs/dbraw/zinc/77/91/44/654779144.db2.gz ILUQHNYWWIMMSW-HNNXBMFYSA-N 1 0 398.345 2.820 10 0 GFAERO [NH3+]C[C@H]1CCCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000131695930 654914147 /nfs/dbraw/zinc/91/41/47/654914147.db2.gz RCSNPUYPLNSQMG-MRVPVSSYSA-N 1 0 388.114 2.868 10 0 GFAERO CC[C@@H]1CN(CCC(=O)Nc2ccccc2Br)CC[N@@H+]1C[C@@H](C)O ZINC000106102117 655102749 /nfs/dbraw/zinc/10/27/49/655102749.db2.gz PMQYTISEZOHKOE-HUUCEWRRSA-N 1 0 398.345 2.555 10 0 GFAERO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](Cn3cncn3)C2)ccc1Br ZINC000106174148 655104416 /nfs/dbraw/zinc/10/44/16/655104416.db2.gz PSHUGWDKRWATCS-AWEZNQCLSA-N 1 0 392.301 2.700 10 0 GFAERO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000107246937 655118996 /nfs/dbraw/zinc/11/89/96/655118996.db2.gz OEFLLRXNUZSHFG-GJZGRUSLSA-N 1 0 384.567 2.513 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000173884518 655183839 /nfs/dbraw/zinc/18/38/39/655183839.db2.gz HINAGOQUVWYLLA-KOLCDFICSA-N 1 0 396.738 2.505 10 0 GFAERO CC[C@H](O)C[NH+]1CCN(Cc2ncc(-c3ccccc3Br)o2)CC1 ZINC000174079091 655191507 /nfs/dbraw/zinc/19/15/07/655191507.db2.gz BGJKPSNWBJLNCH-AWEZNQCLSA-N 1 0 394.313 2.993 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(I)c(F)c1 ZINC000113224024 655205676 /nfs/dbraw/zinc/20/56/76/655205676.db2.gz GDPXMFGTUHNAIZ-ZYHUDNBSSA-N 1 0 388.224 2.739 10 0 GFAERO CCN1CCC[C@H](NS(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)C1 ZINC000175236137 655215996 /nfs/dbraw/zinc/21/59/96/655215996.db2.gz AMSIGHPKMPVHHY-JTQLQIEISA-N 1 0 395.308 2.543 10 0 GFAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000175824674 655227392 /nfs/dbraw/zinc/22/73/92/655227392.db2.gz VQIANMHMNITYDF-LBPRGKRZSA-N 1 0 394.313 2.997 10 0 GFAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cc(Br)cs2)CC1 ZINC000176453853 655246209 /nfs/dbraw/zinc/24/62/09/655246209.db2.gz QEOKUUSWADCGDB-NSHDSACASA-N 1 0 375.332 2.675 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2ccc(Br)cc2Cl)CCO1 ZINC000118794377 655282143 /nfs/dbraw/zinc/28/21/43/655282143.db2.gz VKIWFSSSKSNRDU-NSHDSACASA-N 1 0 376.682 2.897 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccc(Br)c(C(C)=O)c1 ZINC000180177380 655323290 /nfs/dbraw/zinc/32/32/90/655323290.db2.gz SCGPYKYIJCFCOM-NSHDSACASA-N 1 0 391.331 2.660 10 0 GFAERO COCC[N@@H+]1CCN(CC2=Cc3cc(Br)ccc3OC2)C[C@H]1C ZINC000120835055 655344978 /nfs/dbraw/zinc/34/49/78/655344978.db2.gz NIVUZIMFEGPCLN-CQSZACIVSA-N 1 0 381.314 2.877 10 0 GFAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccnc(Br)c2)C1 ZINC000190581848 655393316 /nfs/dbraw/zinc/39/33/16/655393316.db2.gz AWSKUFBXHCOCCZ-HNNXBMFYSA-N 1 0 389.297 2.833 10 0 GFAERO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193549052 655410909 /nfs/dbraw/zinc/41/09/09/655410909.db2.gz ZKSCAAJEQWESRU-ZWNOBZJWSA-N 1 0 379.254 2.734 10 0 GFAERO CC[C@H]1CN(C(=O)c2ccc(OC(F)(F)Cl)cc2)CC[N@@H+]1C[C@H](C)O ZINC000248819710 655433469 /nfs/dbraw/zinc/43/34/69/655433469.db2.gz WJSVYQVRCHHIMD-JSGCOSHPSA-N 1 0 376.831 2.772 10 0 GFAERO CC(=O)c1c(C)nn(CC(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)C2)c1C ZINC000015078911 210153122 /nfs/dbraw/zinc/15/31/22/210153122.db2.gz TZKORAYYSHGRBF-FQEVSTJZSA-N 1 0 382.508 2.526 10 0 GFAERO CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@H]([NH2+]Cc1ccncc1)CC2 ZINC000014754005 210126510 /nfs/dbraw/zinc/12/65/10/210126510.db2.gz IBJOWFIIAVZARQ-LJQANCHMSA-N 1 0 389.503 2.528 10 0 GFAERO COc1cccc(CC[NH2+][C@@H]2CCc3c(c(C(=O)N(C)C)nn3CC(C)C)C2)c1 ZINC000014743672 210124643 /nfs/dbraw/zinc/12/46/43/210124643.db2.gz HYFFWBXBAPZQTE-GOSISDBHSA-N 1 0 398.551 2.939 10 0 GFAERO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH+]1CCCCCC1)C2 ZINC000014733783 210124157 /nfs/dbraw/zinc/12/41/57/210124157.db2.gz HICJINXLRBHFKW-MRXNPFEDSA-N 1 0 376.570 2.825 10 0 GFAERO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([N@H+](C)Cc1cc(C)no1)C2 ZINC000014539286 210119852 /nfs/dbraw/zinc/11/98/52/210119852.db2.gz DUIHBDFNAMFPRY-INIZCTEOSA-N 1 0 385.512 2.815 10 0 GFAERO CCOc1ccc2nc(N3CCC([NH2+]CCn4ccnc4)CC3)nc(C)c2c1 ZINC000011880572 209891938 /nfs/dbraw/zinc/89/19/38/209891938.db2.gz DFGNKNRSAOKETG-UHFFFAOYSA-N 1 0 380.496 2.792 10 0 GFAERO CC[NH+]1CCN(c2ccc(N)cc2NC(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000226259776 209187261 /nfs/dbraw/zinc/18/72/61/209187261.db2.gz YEBYBVZAYYAXGO-UHFFFAOYSA-N 1 0 384.480 2.680 10 0 GFAERO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cnc(-c2ccncc2)[nH]c1=O ZINC000091536830 211195489 /nfs/dbraw/zinc/19/54/89/211195489.db2.gz QXOMTTKIGWUUQO-IBGZPJMESA-N 1 0 389.459 2.811 10 0 GFAERO CC(C)c1ccc(CN2CCC[C@@](O)(C[NH2+]CCc3nccs3)C2=O)cc1 ZINC000067967029 211032096 /nfs/dbraw/zinc/03/20/96/211032096.db2.gz CBHUACXZUKELAU-OAQYLSRUSA-N 1 0 387.549 2.952 10 0 GFAERO O=C(C[C@@H]1C(=O)NCC[N@H+]1CC1CCCCC1)NCc1cccc2[nH]ccc21 ZINC000019792384 210297005 /nfs/dbraw/zinc/29/70/05/210297005.db2.gz QRXVOJAEFHWHKY-HXUWFJFHSA-N 1 0 382.508 2.555 10 0 GFAERO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)Cn1nnc2ccccc21 ZINC000014509647 221310961 /nfs/dbraw/zinc/31/09/61/221310961.db2.gz YAWURFZHFIQLKX-UHFFFAOYSA-N 1 0 391.479 2.762 10 0 GFAERO CN(C)c1cn[nH+]c(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1 ZINC000224313022 136206675 /nfs/dbraw/zinc/20/66/75/136206675.db2.gz JVXGZSBQEJDDSR-UHFFFAOYSA-N 1 0 378.839 2.689 10 0 GFAERO C[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@@H]1[NH+](C)C ZINC000226812304 553061807 /nfs/dbraw/zinc/06/18/07/553061807.db2.gz YGUJCQLIXCCOOA-RNCFNFMXSA-N 1 0 392.668 2.967 10 0 GFAERO C[C@H](NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1Br ZINC000049172814 551158049 /nfs/dbraw/zinc/15/80/49/551158049.db2.gz XAAYGRXBBZKZOA-UONOGXRCSA-N 1 0 384.318 2.656 10 0 GFAERO O=C(Nc1cccc(I)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000104975091 551198929 /nfs/dbraw/zinc/19/89/29/551198929.db2.gz SQOMTDJZMHPTJF-CQSZACIVSA-N 1 0 385.249 2.993 10 0 GFAERO Cn1cc([C@H]2CC[N@H+](Cc3cc4c(cc3Br)OCCO4)C2)cn1 ZINC000116313338 551211943 /nfs/dbraw/zinc/21/19/43/551211943.db2.gz LOEXWIXQKCMICZ-LBPRGKRZSA-N 1 0 378.270 2.943 10 0 GFAERO C[C@@H](NC(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1)c1ccc(Br)cc1 ZINC000116318179 551211960 /nfs/dbraw/zinc/21/19/60/551211960.db2.gz WVYDJPIFYRLPGZ-HIFRSBDPSA-N 1 0 391.313 2.849 10 0 GFAERO Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1Br ZINC000121169972 551228675 /nfs/dbraw/zinc/22/86/75/551228675.db2.gz OKZQFTUQRNDQKT-CQSZACIVSA-N 1 0 396.329 2.933 10 0 GFAERO C[C@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C[NH+]1CCN(C)CC1 ZINC000121929142 551292445 /nfs/dbraw/zinc/29/24/45/551292445.db2.gz GZEHHPFTRPYAPP-ZIAGYGMSSA-N 1 0 388.339 2.760 10 0 GFAERO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000121929016 551292593 /nfs/dbraw/zinc/29/25/93/551292593.db2.gz GZEHHPFTRPYAPP-UONOGXRCSA-N 1 0 388.339 2.760 10 0 GFAERO C[NH+](C)C[C@@H]1CN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)CCO1 ZINC000128065083 551345808 /nfs/dbraw/zinc/34/58/08/551345808.db2.gz RGOHHOOSEKTHRW-OAHLLOKOSA-N 1 0 379.302 2.602 10 0 GFAERO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c(Br)c1 ZINC000150788110 551401703 /nfs/dbraw/zinc/40/17/03/551401703.db2.gz RSDYSEPJWOOPQT-SWLSCSKDSA-N 1 0 382.302 2.541 10 0 GFAERO C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(I)cc1 ZINC000151328991 551411520 /nfs/dbraw/zinc/41/15/20/551411520.db2.gz WHRWLXVHXPBQGQ-CJNGLKHVSA-N 1 0 388.293 2.789 10 0 GFAERO CCn1cnnc1C1CC[NH+](C[C@@H](O)c2ccccc2Br)CC1 ZINC000152969586 551443886 /nfs/dbraw/zinc/44/38/86/551443886.db2.gz JIBZYZKFAFOIDV-MRXNPFEDSA-N 1 0 379.302 2.974 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000154506289 551476414 /nfs/dbraw/zinc/47/64/14/551476414.db2.gz LXSZHCISOUEUBV-JTQLQIEISA-N 1 0 390.709 2.888 10 0 GFAERO CCOCC[N@@H+]1CCN(c2ccnc3cc(Br)cnc32)C[C@@H]1C ZINC000157429536 551538320 /nfs/dbraw/zinc/53/83/20/551538320.db2.gz YDOPXWQXIZAZOL-ZDUSSCGKSA-N 1 0 379.302 2.939 10 0 GFAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(F)cc2I)[C@@H](C)C1 ZINC000158893664 551558386 /nfs/dbraw/zinc/55/83/86/551558386.db2.gz JKUGOPSYJIOFRD-HZMBPMFUSA-N 1 0 390.240 2.889 10 0 GFAERO CCOCC[N@@H+]1CCN(Cc2nc3cc(Br)ccc3[nH]2)C[C@@H]1C ZINC000159342563 551563966 /nfs/dbraw/zinc/56/39/66/551563966.db2.gz VOPMSSLOBRYDBK-ZDUSSCGKSA-N 1 0 381.318 2.868 10 0 GFAERO Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000170702858 551638178 /nfs/dbraw/zinc/63/81/78/551638178.db2.gz XUAUXIKBCWQDSX-ZDUSSCGKSA-N 1 0 384.318 2.789 10 0 GFAERO C[NH+](C)[C@@H]1CCN(C(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000170836023 551640951 /nfs/dbraw/zinc/64/09/51/551640951.db2.gz YPDFSPXPNIRTBB-GFCCVEGCSA-N 1 0 392.244 2.896 10 0 GFAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000170866839 551641873 /nfs/dbraw/zinc/64/18/73/551641873.db2.gz NDJXQDZPCRCIMV-CZUORRHYSA-N 1 0 384.307 2.761 10 0 GFAERO O=C(CC[N@@H+]1CCC[C@H](n2cncn2)C1)Nc1ccc(Br)cc1F ZINC000171701944 551661418 /nfs/dbraw/zinc/66/14/18/551661418.db2.gz RCXHDFSCZXYKFH-ZDUSSCGKSA-N 1 0 396.264 2.845 10 0 GFAERO C[C@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)c1ccccc1Br ZINC000175537405 552123870 /nfs/dbraw/zinc/12/38/70/552123870.db2.gz DZXOPCABDDPVMS-AWEZNQCLSA-N 1 0 397.361 2.835 10 0 GFAERO O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177698663 552157030 /nfs/dbraw/zinc/15/70/30/552157030.db2.gz CYIVLIOXKGGMAP-NSHDSACASA-N 1 0 375.778 2.604 10 0 GFAERO CC[C@@H](O)C[NH+]1CCN([C@H](C(=O)OC)c2cccc(Cl)c2Cl)CC1 ZINC000183597213 552314185 /nfs/dbraw/zinc/31/41/85/552314185.db2.gz VMDYSGZNSBSSNY-WBMJQRKESA-N 1 0 375.296 2.596 10 0 GFAERO C[C@@H](NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)c1ccccc1Br ZINC000185460036 552363695 /nfs/dbraw/zinc/36/36/95/552363695.db2.gz HZQHUCAVQJQGDR-LSDHHAIUSA-N 1 0 397.361 2.835 10 0 GFAERO Brc1ccc([C@H]([NH2+]CCCN2CCOCC2)c2cncnc2)cc1 ZINC000186073591 552378008 /nfs/dbraw/zinc/37/80/08/552378008.db2.gz MHRUQTLDEMNMDA-SFHVURJKSA-N 1 0 391.313 2.640 10 0 GFAERO COCC[C@](C)(O)C[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186196327 552381403 /nfs/dbraw/zinc/38/14/03/552381403.db2.gz QONVLGNEEOQTHZ-SJORKVTESA-N 1 0 380.286 2.706 10 0 GFAERO Cc1ccc(CC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1Br ZINC000188272133 552440630 /nfs/dbraw/zinc/44/06/30/552440630.db2.gz MEBCKNFAGATQAE-HNNXBMFYSA-N 1 0 397.357 2.851 10 0 GFAERO CO[C@H]1C[C@H](c2nc(C)no2)N(C[C@H](O)c2ccccc2Br)C1 ZINC000189352666 552469182 /nfs/dbraw/zinc/46/91/82/552469182.db2.gz ABOUUFXRRWEIQC-GLQYFDAESA-N 1 0 382.258 2.636 10 0 GFAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2cc(Br)c[nH]2)C1 ZINC000190627059 552503928 /nfs/dbraw/zinc/50/39/28/552503928.db2.gz KXBSLAASGDJYEF-CQSZACIVSA-N 1 0 377.286 2.766 10 0 GFAERO Cc1csc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1I ZINC000191265023 552523108 /nfs/dbraw/zinc/52/31/08/552523108.db2.gz GUBFSGRCQIHGPS-SNVBAGLBSA-N 1 0 376.263 2.581 10 0 GFAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000192932531 552978454 /nfs/dbraw/zinc/97/84/54/552978454.db2.gz QSKHIDYIKPUTSX-CQSZACIVSA-N 1 0 383.514 2.733 10 0 GFAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000192934773 552978628 /nfs/dbraw/zinc/97/86/28/552978628.db2.gz BACNRYNZJNAUGZ-INIZCTEOSA-N 1 0 379.551 2.903 10 0 GFAERO CCCCN(C(=O)C[NH2+][C@H](C)c1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 ZINC000193111987 552983698 /nfs/dbraw/zinc/98/36/98/552983698.db2.gz ZAGYINXGQUFWBU-OLZOCXBDSA-N 1 0 392.974 2.868 10 0 GFAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2ncccc2Br)C1 ZINC000194047574 553010457 /nfs/dbraw/zinc/01/04/57/553010457.db2.gz YADVVGYHHUQNJI-OAHLLOKOSA-N 1 0 389.297 2.833 10 0 GFAERO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)Nc1cccc(CSC2CCCCC2)c1 ZINC000237328629 553077216 /nfs/dbraw/zinc/07/72/16/553077216.db2.gz DFMOJPGGNOUGKF-QGZVFWFLSA-N 1 0 384.567 2.953 10 0 GFAERO CCOCC[N@@H+]1CCN(Cc2cnc3ccc(Br)cn23)C[C@H]1C ZINC000245729485 553096454 /nfs/dbraw/zinc/09/64/54/553096454.db2.gz JJVSSJVHVINLCE-CQSZACIVSA-N 1 0 381.318 2.639 10 0 GFAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Cc2ccccc2I)C1 ZINC000245990455 553100320 /nfs/dbraw/zinc/10/03/20/553100320.db2.gz LMGIQQOTTFTYBA-SWLSCSKDSA-N 1 0 386.277 2.679 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(F)c(I)c1 ZINC000246007792 553100818 /nfs/dbraw/zinc/10/08/18/553100818.db2.gz KPOGUQBJKIBHOD-PWSUYJOCSA-N 1 0 388.224 2.739 10 0 GFAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2c(F)cccc2I)C1 ZINC000246065642 553101794 /nfs/dbraw/zinc/10/17/94/553101794.db2.gz XBETZSLKYAGRAA-GXFFZTMASA-N 1 0 390.240 2.889 10 0 GFAERO C[C@@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1N1CCOCC1 ZINC000246438004 553107834 /nfs/dbraw/zinc/10/78/34/553107834.db2.gz LUAYLAOOPGJKMX-CXAGYDPISA-N 1 0 386.323 2.975 10 0 GFAERO Cc1cc(CCC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)ccc1Br ZINC000246437691 553107931 /nfs/dbraw/zinc/10/79/31/553107931.db2.gz LSLQAOBCPCDVJJ-GJZGRUSLSA-N 1 0 383.330 2.604 10 0 GFAERO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246547614 553109393 /nfs/dbraw/zinc/10/93/93/553109393.db2.gz CKUAXDQIXXFTCZ-CABCVRRESA-N 1 0 393.329 2.517 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000247528840 553123503 /nfs/dbraw/zinc/12/35/03/553123503.db2.gz XHYAKDGDFZJZAY-OCCSQVGLSA-N 1 0 386.359 2.638 10 0 GFAERO CC[C@@H]1CN(C(=O)N[C@H](C)c2cccc(Br)c2)CC[N@@H+]1C[C@@H](C)O ZINC000248445670 553129974 /nfs/dbraw/zinc/12/99/74/553129974.db2.gz FILQVLUWJZMEOL-CKEIUWERSA-N 1 0 398.345 2.997 10 0 GFAERO CC[C@@H](Cc1ccccc1Br)[N@H+](C)C[C@@H](O)CN1CCCC1=O ZINC000249490086 553143876 /nfs/dbraw/zinc/14/38/76/553143876.db2.gz ZHHNBNOLGMFHGR-JKSUJKDBSA-N 1 0 383.330 2.685 10 0 GFAERO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OCC3CCC3)C[C@H]12 ZINC000249611741 553145091 /nfs/dbraw/zinc/14/50/91/553145091.db2.gz SEOWAEBWWBVBNB-VNQPRFMTSA-N 1 0 384.929 2.877 10 0 GFAERO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249734798 553145629 /nfs/dbraw/zinc/14/56/29/553145629.db2.gz VSEUFGPQDKDPEC-HIFRSBDPSA-N 1 0 380.286 2.792 10 0 GFAERO [NH3+]C1(C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)CCOCC1 ZINC000261931440 553162884 /nfs/dbraw/zinc/16/28/84/553162884.db2.gz WJPOJALCTNHFTJ-UHFFFAOYSA-N 1 0 375.372 2.684 10 0 GFAERO CN1C[C@H](C[NH2+]Cc2ccc(Br)c(Br)c2)CC1=O ZINC000657698681 565120673 /nfs/dbraw/zinc/12/06/73/565120673.db2.gz ZWPPYWIEYMPLTG-JTQLQIEISA-N 1 0 376.092 2.780 10 0 GFAERO COCCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)COc1ccccc1 ZINC000036095903 570535368 /nfs/dbraw/zinc/53/53/68/570535368.db2.gz OUOXYNQYHSVWIO-LJQANCHMSA-N 1 0 389.492 2.982 10 0 GFAERO CC(=O)N(Cc1cncnc1)[C@H]1CCC[N@H+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000328643501 570789193 /nfs/dbraw/zinc/78/91/93/570789193.db2.gz RHVFMSCONJFUCA-FQEVSTJZSA-N 1 0 378.480 2.756 10 0 GFAERO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2Cl)C[C@@H]1[NH+](C)C ZINC000124019170 654769027 /nfs/dbraw/zinc/76/90/27/654769027.db2.gz FODZIXQICZEXTO-SKDRFNHKSA-N 1 0 381.723 2.673 10 0 GFAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(I)cc1Cl ZINC000130962921 654894191 /nfs/dbraw/zinc/89/41/91/654894191.db2.gz LSZWRBGOPVPXOZ-JTQLQIEISA-N 1 0 378.641 2.898 10 0 GFAERO O=S(=O)(NC[C@H]1CC[NH2+]C1)c1c(Cl)cc(Br)cc1Cl ZINC000133743582 654972695 /nfs/dbraw/zinc/97/26/95/654972695.db2.gz CMMYMIVTKDVNGW-ZETCQYMHSA-N 1 0 388.114 2.644 10 0 GFAERO COc1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1Br ZINC000105223379 655089802 /nfs/dbraw/zinc/08/98/02/655089802.db2.gz BQGZWUTYVIBKKI-CQSZACIVSA-N 1 0 382.302 2.837 10 0 GFAERO CCOCC[N@@H+]1CCN(CCC(=O)Nc2ccccc2Br)C[C@@H]1C ZINC000106110955 655103152 /nfs/dbraw/zinc/10/31/52/655103152.db2.gz XHZHTZIQHYGYCC-HNNXBMFYSA-N 1 0 398.345 2.820 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)CCO1 ZINC000116789004 655253679 /nfs/dbraw/zinc/25/36/79/655253679.db2.gz IDUQMPWZHCFNLW-CYBMUJFWSA-N 1 0 383.279 2.582 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)NCc2ccc(Br)cc2Cl)CCO1 ZINC000117039853 655258792 /nfs/dbraw/zinc/25/87/92/655258792.db2.gz SNMLVBWNJNPXDD-ZDUSSCGKSA-N 1 0 390.709 2.575 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1c(C)cc(Br)cc1C ZINC000176903679 655260276 /nfs/dbraw/zinc/26/02/76/655260276.db2.gz OZXXIZMBOFOLSI-OAHLLOKOSA-N 1 0 396.329 2.947 10 0 GFAERO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117261638 655262506 /nfs/dbraw/zinc/26/25/06/655262506.db2.gz VJSKXVOZYJLUGH-NVXWUHKLSA-N 1 0 383.330 2.807 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000118670324 655280376 /nfs/dbraw/zinc/28/03/76/655280376.db2.gz LJFWJOMXENDWMV-ZDUSSCGKSA-N 1 0 375.332 2.862 10 0 GFAERO COCC[N@@H+]1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)C[C@H]1C ZINC000120780216 655343700 /nfs/dbraw/zinc/34/37/00/655343700.db2.gz JACBDTZIHCUJLF-CQSZACIVSA-N 1 0 393.329 2.992 10 0 GFAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H]2CSCCS2)C1 ZINC000190532594 655392875 /nfs/dbraw/zinc/39/28/75/655392875.db2.gz JSPGPMNIYFVFGS-LSDHHAIUSA-N 1 0 385.624 2.971 10 0 GFAERO CN1CCO[C@H](C[NH2+]Cc2cc(Br)c(Br)s2)C1 ZINC000227841205 655423061 /nfs/dbraw/zinc/42/30/61/655423061.db2.gz FIUNOWSLUAJKIJ-MRVPVSSYSA-N 1 0 384.137 2.693 10 0 GFAERO CCOC(=O)C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000236864471 655425146 /nfs/dbraw/zinc/42/51/46/655425146.db2.gz UEQGOKMSHTVAHQ-CFVMTHIKSA-N 1 0 383.286 2.687 10 0 GFAERO C[NH2+][C@@H](C)CNC(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 ZINC000261618842 655441401 /nfs/dbraw/zinc/44/14/01/655441401.db2.gz BDNPYNNHAOHYNK-JTQLQIEISA-N 1 0 382.258 2.662 10 0 GFAERO C[C@@H](NC(=O)C1(n2cccn2)CC[NH2+]CC1)c1cccc(Br)c1 ZINC000261923516 655443054 /nfs/dbraw/zinc/44/30/54/655443054.db2.gz KSOSHGWCTFYTCJ-CYBMUJFWSA-N 1 0 377.286 2.602 10 0 GFAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000262642796 655446499 /nfs/dbraw/zinc/44/64/99/655446499.db2.gz TUUODIUPNAOAET-KNXALSJPSA-N 1 0 384.307 2.842 10 0 GFAERO CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@@H]([NH2+]Cc1ccccn1)C2 ZINC000014542881 210121184 /nfs/dbraw/zinc/12/11/84/210121184.db2.gz VCKQBHYDZFLVBC-MRXNPFEDSA-N 1 0 393.491 2.810 10 0 GFAERO CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@H]([NH2+]Cc1ccco1)CC2 ZINC000014539747 210118679 /nfs/dbraw/zinc/11/86/79/210118679.db2.gz ZIJNYIITJCAUID-QGZVFWFLSA-N 1 0 378.476 2.932 10 0 GFAERO C#[N+]c1ccc(C(=O)N2C[C@H](C)N(C(=O)[C@@](C)(O)C(F)(F)F)C[C@H]2C)cc1 ZINC000100454553 211387559 /nfs/dbraw/zinc/38/75/59/211387559.db2.gz OGLHCXPBMPUPLU-BWACUDIHSA-N 1 0 383.370 2.612 10 0 GFAERO C[N@H+](CCNC(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCCN21)C1CCCCC1 ZINC000021647121 210388147 /nfs/dbraw/zinc/38/81/47/210388147.db2.gz ZWLZSMUDZOIPJZ-HXUWFJFHSA-N 1 0 384.524 2.992 10 0 GFAERO CSc1ncc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)cn1 ZINC000020601661 210350307 /nfs/dbraw/zinc/35/03/07/210350307.db2.gz BZZFICXEHCAKNF-FQEVSTJZSA-N 1 0 383.565 2.985 10 0 GFAERO C[C@H]1C=NN(c2ccccc2N2CC[NH2+]C[C@@H]2C(=O)Cc2ccccc2)C(=O)C1 ZINC000095935747 136182583 /nfs/dbraw/zinc/18/25/83/136182583.db2.gz ZNOXJJOKUCXBAZ-DYESRHJHSA-N 1 0 390.487 2.635 10 0 GFAERO CN(C)c1cn[nH+]c(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000224308363 136206642 /nfs/dbraw/zinc/20/66/42/136206642.db2.gz DCSAHWVJGNHVSJ-UHFFFAOYSA-N 1 0 379.386 2.524 10 0 GFAERO Cc1cccc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1Br ZINC000120965543 551223885 /nfs/dbraw/zinc/22/38/85/551223885.db2.gz DZESVBIBXPRRHI-ZDUSSCGKSA-N 1 0 384.318 2.789 10 0 GFAERO C[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1Br ZINC000149033175 551398273 /nfs/dbraw/zinc/39/82/73/551398273.db2.gz GWVWUJHALRBOJK-STQMWFEESA-N 1 0 375.332 2.771 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000151818335 551422026 /nfs/dbraw/zinc/42/20/26/551422026.db2.gz KLLPJLQFMAFTAP-XJKSGUPXSA-N 1 0 389.297 2.944 10 0 GFAERO Cc1ccc(I)cc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000154810549 551483200 /nfs/dbraw/zinc/48/32/00/551483200.db2.gz RQEWVLQNOAKNOL-JSGCOSHPSA-N 1 0 384.261 2.908 10 0 GFAERO COc1ccc([C@H](C)C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1 ZINC000182215097 552278462 /nfs/dbraw/zinc/27/84/62/552278462.db2.gz WRDLONXQEIRKER-CYBMUJFWSA-N 1 0 376.469 2.653 10 0 GFAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C(N)=O)c2cccc(Br)c2)C12CCOCC2 ZINC000185005314 552350683 /nfs/dbraw/zinc/35/06/83/552350683.db2.gz NAMLCDIAOGEACS-XHSDSOJGSA-N 1 0 397.313 2.539 10 0 GFAERO CC(C)COC[C@H](O)C[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186127201 552379988 /nfs/dbraw/zinc/37/99/88/552379988.db2.gz HXRHICZTCFGKBJ-QZTJIDSGSA-N 1 0 394.313 2.952 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000190076345 552486735 /nfs/dbraw/zinc/48/67/35/552486735.db2.gz JBLHMWQPILSDOA-VXGBXAGGSA-N 1 0 376.507 2.505 10 0 GFAERO Cn1cc(Br)cc1C(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190639305 552504411 /nfs/dbraw/zinc/50/44/11/552504411.db2.gz JGISTVMWULTJFH-OAHLLOKOSA-N 1 0 391.313 2.777 10 0 GFAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NCCSC(F)(F)F)C1 ZINC000190697184 552506253 /nfs/dbraw/zinc/50/62/53/552506253.db2.gz DWSVRVULOATKHY-AWEZNQCLSA-N 1 0 376.448 2.798 10 0 GFAERO O=C1[C@@H]([NH2+][C@H](CO)c2ccccc2)CCN1c1cccc(Br)c1 ZINC000192075770 552549565 /nfs/dbraw/zinc/54/95/65/552549565.db2.gz FWSDYXOCQCAMFQ-DLBZAZTESA-N 1 0 375.266 2.878 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cccc(C(=O)OC)c2Br)C1 ZINC000192423624 552563109 /nfs/dbraw/zinc/56/31/09/552563109.db2.gz GWEYLCRXEPOQCN-NSHDSACASA-N 1 0 384.274 2.842 10 0 GFAERO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C[C@@H]1[NH+](C)C ZINC000235362542 553067893 /nfs/dbraw/zinc/06/78/93/553067893.db2.gz LUDGFDRKFIQXQZ-RNCFNFMXSA-N 1 0 381.723 2.673 10 0 GFAERO C[N@H+](C[C@@H](O)COCc1ccccc1)[C@H](CO)c1cccc(Br)c1 ZINC000245945662 553099818 /nfs/dbraw/zinc/09/98/18/553099818.db2.gz RSTFMJDOMVCJQQ-RTBURBONSA-N 1 0 394.309 2.992 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(F)c(I)c1 ZINC000246007788 553101138 /nfs/dbraw/zinc/10/11/38/553101138.db2.gz KPOGUQBJKIBHOD-JQWIXIFHSA-N 1 0 388.224 2.739 10 0 GFAERO Cc1csc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1I ZINC000248693097 553133116 /nfs/dbraw/zinc/13/31/16/553133116.db2.gz JWGSGEUQSRVCBI-GHMZBOCLSA-N 1 0 390.290 2.970 10 0 GFAERO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246281743 553105813 /nfs/dbraw/zinc/10/58/13/553105813.db2.gz HWEYVSMUUHRHCC-YOEHRIQHSA-N 1 0 380.330 2.576 10 0 GFAERO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246281720 553105883 /nfs/dbraw/zinc/10/58/83/553105883.db2.gz HWEYVSMUUHRHCC-PBHICJAKSA-N 1 0 380.330 2.576 10 0 GFAERO COc1ccc(Br)cc1CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247306059 553120730 /nfs/dbraw/zinc/12/07/30/553120730.db2.gz LPPYPPIGOGXOMV-IUODEOHRSA-N 1 0 384.318 2.986 10 0 GFAERO Cc1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1I ZINC000247317918 553121192 /nfs/dbraw/zinc/12/11/92/553121192.db2.gz OMCORBPTMKZGET-OCCSQVGLSA-N 1 0 384.261 2.908 10 0 GFAERO CC[C@H]1CN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC[N@@H+]1CCOC ZINC000247810415 553126023 /nfs/dbraw/zinc/12/60/23/553126023.db2.gz USKOCIHUNPTCSU-JKSUJKDBSA-N 1 0 391.339 2.776 10 0 GFAERO CC[C@@H]1CN(C(=O)NCc2cc(Br)ccc2C)CC[N@@H+]1C[C@H](C)O ZINC000249111531 553139569 /nfs/dbraw/zinc/13/95/69/553139569.db2.gz ARPZAOHSZJZAPQ-WMLDXEAASA-N 1 0 398.345 2.744 10 0 GFAERO CC[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2Br)CC[N@@H+]1CCOC ZINC000252352407 553149199 /nfs/dbraw/zinc/14/91/99/553149199.db2.gz BXOSWVOZLROBTO-HUUCEWRRSA-N 1 0 398.345 2.819 10 0 GFAERO NC(=O)[C@H](c1ccc(Br)cc1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261643136 553155233 /nfs/dbraw/zinc/15/52/33/553155233.db2.gz FUNLVRQZBQQOBY-NJAFHUGGSA-N 1 0 388.309 2.650 10 0 GFAERO C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)Oc1ccccc1Br ZINC000261934869 553162918 /nfs/dbraw/zinc/16/29/18/553162918.db2.gz MDLSGBGDBCKHBS-MUIFIZLQSA-N 1 0 383.330 2.963 10 0 GFAERO Cc1cccc(C[NH+]2CCC(Nc3cnn(C)c(=O)c3Br)CC2)c1 ZINC000301259892 563398732 /nfs/dbraw/zinc/39/87/32/563398732.db2.gz UWORZHJEDHRQJF-UHFFFAOYSA-N 1 0 391.313 2.928 10 0 GFAERO CC[C@H](O)C[N@@H+]1CCCN(c2ccc(NC(=O)c3cccc(F)c3)cn2)CC1 ZINC000034682253 570300355 /nfs/dbraw/zinc/30/03/55/570300355.db2.gz BFPXNWUDGSTDFQ-IBGZPJMESA-N 1 0 386.471 2.756 10 0 GFAERO CCOC(=O)c1ccc2c(c1)[C@H](NC(=O)OC(C)(C)C)C[C@]1(CC[NH2+]C1)O2 ZINC000725260136 570307646 /nfs/dbraw/zinc/30/76/46/570307646.db2.gz NEJAQFHCOUAUTG-QRWLVFNGSA-N 1 0 376.453 2.944 10 0 GFAERO COC(=O)c1cc(F)c2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NC(=O)OC(C)(C)C ZINC000725260707 570310304 /nfs/dbraw/zinc/31/03/04/570310304.db2.gz VCVPNJUGVSEDJF-YJYMSZOUSA-N 1 0 380.416 2.693 10 0 GFAERO Cc1cc(=O)[nH]c(-c2cccc(C[NH+]3CCC(Nc4ncccn4)CC3)c2)n1 ZINC000023581953 570326829 /nfs/dbraw/zinc/32/68/29/570326829.db2.gz WBUVFFUZHVFHJB-UHFFFAOYSA-N 1 0 376.464 2.612 10 0 GFAERO COc1ccc(S(=O)(=O)N2CCC(C[N@@H+]3CCC[C@H](C)C3)CC2)cc1OC ZINC000032951992 570428375 /nfs/dbraw/zinc/42/83/75/570428375.db2.gz VLRBHRUSEKAOAK-INIZCTEOSA-N 1 0 396.553 2.836 10 0 GFAERO COc1ccc(OC)c(CNC(=O)c2nc(C)n(C3CC[NH+](C)CC3)c2C)c1 ZINC000065257259 570755980 /nfs/dbraw/zinc/75/59/80/570755980.db2.gz MJISRHLLDOMJQQ-UHFFFAOYSA-N 1 0 386.496 2.714 10 0 GFAERO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000046947279 654688214 /nfs/dbraw/zinc/68/82/14/654688214.db2.gz MZBFNBAVOPDCPW-ZIAGYGMSSA-N 1 0 388.339 2.903 10 0 GFAERO C[N@H+](C[C@@H](O)COCc1ccccc1)[C@@H](CO)c1cccc(Br)c1 ZINC000125535329 654797118 /nfs/dbraw/zinc/79/71/18/654797118.db2.gz RSTFMJDOMVCJQQ-MOPGFXCFSA-N 1 0 394.309 2.992 10 0 GFAERO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000091323998 655008855 /nfs/dbraw/zinc/00/88/55/655008855.db2.gz KRJJKYXSFZEFTB-GZMMTYOYSA-N 1 0 397.722 2.517 10 0 GFAERO CC[C@@H]1CN(Cc2nnc(-c3ccc(Br)o3)o2)CC[N@@H+]1CCOC ZINC000106115472 655103479 /nfs/dbraw/zinc/10/34/79/655103479.db2.gz OVSVRUUBOBANCT-GFCCVEGCSA-N 1 0 399.289 2.635 10 0 GFAERO COc1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c(Br)c1OC ZINC000106171396 655104048 /nfs/dbraw/zinc/10/40/48/655104048.db2.gz TWHBFPZVHDPQAL-CYBMUJFWSA-N 1 0 395.301 2.970 10 0 GFAERO [NH3+][C@H]1CCCN(C(=O)CCCCc2ccc(I)cc2)C1 ZINC000158476305 655106960 /nfs/dbraw/zinc/10/69/60/655106960.db2.gz KSKFYEBNOYZEGR-HNNXBMFYSA-N 1 0 386.277 2.954 10 0 GFAERO COc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)ccc1S(=O)(=O)C(F)F ZINC000160566585 655123033 /nfs/dbraw/zinc/12/30/33/655123033.db2.gz QHLGGUNYJAFYMW-UBHSHLNASA-N 1 0 377.453 2.893 10 0 GFAERO C[C@@H](O)C[N@@H+]1CCN(Cc2coc(-c3ccc(Br)cc3)n2)C[C@H]1C ZINC000108867349 655138926 /nfs/dbraw/zinc/13/89/26/655138926.db2.gz YCFXJYRESDOEIX-ZIAGYGMSSA-N 1 0 394.313 2.991 10 0 GFAERO CCN(CC)c1nc2sc(C(=O)N3CCO[C@H](C[NH+](C)C)C3)cc2s1 ZINC000116792952 655253592 /nfs/dbraw/zinc/25/35/92/655253592.db2.gz DAGHXZUUCHCCRT-GFCCVEGCSA-N 1 0 382.555 2.607 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)CCO1 ZINC000116796449 655253905 /nfs/dbraw/zinc/25/39/05/655253905.db2.gz MHPDCVAHFXMVME-JTQLQIEISA-N 1 0 381.687 2.815 10 0 GFAERO CCOCC[N@@H+]1CCN(C[C@H](O)c2ccc(F)c(Br)c2)C[C@@H]1C ZINC000185001607 655361733 /nfs/dbraw/zinc/36/17/33/655361733.db2.gz MQQUIGTZSBDNFN-GUYCJALGSA-N 1 0 389.309 2.664 10 0 GFAERO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000189317890 655386042 /nfs/dbraw/zinc/38/60/42/655386042.db2.gz KEHKLOVQLGEZNJ-KWQFWETISA-N 1 0 397.722 2.530 10 0 GFAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(I)c(Cl)c1 ZINC000189746603 655387823 /nfs/dbraw/zinc/38/78/23/655387823.db2.gz LZTAXWOKKHWAFZ-PRHODGIISA-N 1 0 378.641 2.815 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1c(=O)oc2cc(F)c(Br)cc21 ZINC000192160492 655403092 /nfs/dbraw/zinc/40/30/92/655403092.db2.gz JTFZFFPCFRYQQS-GHMZBOCLSA-N 1 0 384.249 2.622 10 0 GFAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000193580733 655411110 /nfs/dbraw/zinc/41/11/10/655411110.db2.gz LGBBKZSXEUZWEQ-XZJROXQQSA-N 1 0 384.307 2.855 10 0 GFAERO CCC[NH+]1CCN(C(=O)COc2nsnc2-c2ccc(Cl)cc2)CC1 ZINC000223742492 655422438 /nfs/dbraw/zinc/42/24/38/655422438.db2.gz ZHRJPDKMSABWOW-UHFFFAOYSA-N 1 0 380.901 2.792 10 0 GFAERO CCOC(=O)C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000236863463 655425081 /nfs/dbraw/zinc/42/50/81/655425081.db2.gz UEQGOKMSHTVAHQ-YUELXQCFSA-N 1 0 383.286 2.687 10 0 GFAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000236898806 655425165 /nfs/dbraw/zinc/42/51/65/655425165.db2.gz OBARKGMVEJZFNM-XHDPSFHLSA-N 1 0 375.922 2.682 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cn1c(=O)oc2cc(F)c(Br)cc21 ZINC000248714350 655433082 /nfs/dbraw/zinc/43/30/82/655433082.db2.gz JTFZFFPCFRYQQS-QWRGUYRKSA-N 1 0 384.249 2.622 10 0 GFAERO C[C@@H]([NH3+])CC(=O)Nc1ccc(Br)c(I)c1 ZINC000261533532 655441221 /nfs/dbraw/zinc/44/12/21/655441221.db2.gz KVOZOJIDFOBMEZ-ZCFIWIBFSA-N 1 0 383.027 2.730 10 0 GFAERO C[C@H]([NH2+]Cc1cn(C)nc1Br)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000720661576 655524656 /nfs/dbraw/zinc/52/46/56/655524656.db2.gz ZHOZRWQVLJOVTK-RYUDHWBXSA-N 1 0 387.322 2.918 10 0 GFAERO Cc1cc(C[NH2+][C@@H]2CCc3c(c(C(=O)N(C)Cc4ccccc4)nn3C)C2)on1 ZINC000014755894 210126096 /nfs/dbraw/zinc/12/60/96/210126096.db2.gz BYXUULCRWBZJPA-QGZVFWFLSA-N 1 0 393.491 2.636 10 0 GFAERO CC[NH+](CC)CCOC(=O)[C@](C)(O)c1nn(-c2ccccc2)c2c1CCCC2 ZINC000003620305 209228233 /nfs/dbraw/zinc/22/82/33/209228233.db2.gz HDFVKMLCTJYZAB-JOCHJYFZSA-N 1 0 385.508 2.844 10 0 GFAERO CCOC(=O)C[C@@H]1CCc2cc(NC(=O)c3ccc(C(N)=[NH2+])cc3)ccc2O1 ZINC000003982108 209229675 /nfs/dbraw/zinc/22/96/75/209229675.db2.gz JQLSHBZNJIJYPF-KRWDZBQOSA-N 1 0 381.432 2.870 10 0 GFAERO Cc1c([C@H]2[C@H](C[NH2+]Cc3ccccc3OCC3CC3)CC(=O)N2C)cnn1C ZINC000328618162 209149402 /nfs/dbraw/zinc/14/94/02/209149402.db2.gz DKZWKFASSVLCEU-PGRDOPGGSA-N 1 0 382.508 2.827 10 0 GFAERO COc1cccc2c1OCC(C[NH+]1CCC3(CC1)c1[nH]cnc1CCN3C)=C2 ZINC000091860291 211207749 /nfs/dbraw/zinc/20/77/49/211207749.db2.gz ZMGSWNBFXOMDHW-UHFFFAOYSA-N 1 0 380.492 2.673 10 0 GFAERO Cc1nc(NC2CC[NH+](CC3(O)CCCCC3)CC2)c(C)c(-n2cccn2)n1 ZINC000089547977 211181343 /nfs/dbraw/zinc/18/13/43/211181343.db2.gz LGCSONNEYBEVQG-UHFFFAOYSA-N 1 0 384.528 2.851 10 0 GFAERO COc1cc2c(cc1OC)CN([C@H]1CCC[N@H+](Cc3ccc(CO)o3)C1)CC2 ZINC000020780459 210360454 /nfs/dbraw/zinc/36/04/54/210360454.db2.gz GTVXCDCXJSULIK-SFHVURJKSA-N 1 0 386.492 2.812 10 0 GFAERO COCC[C@H]1C[N@@H+](C2CCN(c3cccc(N4CCCC4=O)c3)CC2)CCO1 ZINC000063845234 136156465 /nfs/dbraw/zinc/15/64/65/136156465.db2.gz DXKPSWSIIDSPEL-NRFANRHFSA-N 1 0 387.524 2.520 10 0 GFAERO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000150712128 551400733 /nfs/dbraw/zinc/40/07/33/551400733.db2.gz LHIWKNJCYNTYTB-ZJUUUORDSA-N 1 0 377.794 2.883 10 0 GFAERO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000150800838 551401697 /nfs/dbraw/zinc/40/16/97/551401697.db2.gz YCVVYEWPWIRYQG-SWLSCSKDSA-N 1 0 382.302 2.541 10 0 GFAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)N[C@H]1CCc2c1cccc2Br ZINC000170817206 551640548 /nfs/dbraw/zinc/64/05/48/551640548.db2.gz INUBQPIZKCQPMS-DYVFJYSZSA-N 1 0 396.329 2.582 10 0 GFAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)N[C@@H]1CCc2c1cccc2Br ZINC000170817205 551640551 /nfs/dbraw/zinc/64/05/51/551640551.db2.gz INUBQPIZKCQPMS-SUMWQHHRSA-N 1 0 396.329 2.582 10 0 GFAERO O[C@@H](COc1cccc(Br)c1)C[NH+]1CCC(n2ccnc2)CC1 ZINC000171942850 551666837 /nfs/dbraw/zinc/66/68/37/551666837.db2.gz BFJYEAYWFFFXIC-MRXNPFEDSA-N 1 0 380.286 2.722 10 0 GFAERO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173574438 552088307 /nfs/dbraw/zinc/08/83/07/552088307.db2.gz HFDDUBRUXPCOAQ-GFCCVEGCSA-N 1 0 376.810 2.862 10 0 GFAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3cc(Br)cs3)C2=O)n(C)n1 ZINC000173850355 552094411 /nfs/dbraw/zinc/09/44/11/552094411.db2.gz PFVPQEMNJZYYFO-ZDUSSCGKSA-N 1 0 383.315 2.838 10 0 GFAERO CC[C@@H]1CN(C(=O)C2(c3cccc(Br)c3)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000174629273 552107321 /nfs/dbraw/zinc/10/73/21/552107321.db2.gz WCZYGERPMNWQCC-RHSMWYFYSA-N 1 0 395.341 2.784 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000175399074 552120469 /nfs/dbraw/zinc/12/04/69/552120469.db2.gz TZJLYMPFJQNXDT-CYBMUJFWSA-N 1 0 377.913 2.572 10 0 GFAERO Cc1cc(I)cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000178113267 552164861 /nfs/dbraw/zinc/16/48/61/552164861.db2.gz PZQMLFJNLPOFMR-CQSZACIVSA-N 1 0 384.261 2.828 10 0 GFAERO Cn1cc([C@@H]2CC[N@H+](Cc3cc(Br)c4c(c3)OCCO4)C2)cn1 ZINC000179806863 552203442 /nfs/dbraw/zinc/20/34/42/552203442.db2.gz RMJCEBQKYLCNCS-CYBMUJFWSA-N 1 0 378.270 2.943 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)CCO1 ZINC000180011796 552209841 /nfs/dbraw/zinc/20/98/41/552209841.db2.gz HJBRVEPYHYVWFR-CYBMUJFWSA-N 1 0 383.279 2.582 10 0 GFAERO Cc1nc(Br)ccc1NC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000181337151 552253393 /nfs/dbraw/zinc/25/33/93/552253393.db2.gz DFSBIIKJUFRCDM-GFCCVEGCSA-N 1 0 399.333 2.709 10 0 GFAERO CC[C@H]1CN(C(=O)NCc2ccc(Br)cc2C)CC[N@@H+]1C[C@@H](C)O ZINC000181740971 552266881 /nfs/dbraw/zinc/26/68/81/552266881.db2.gz JMTRKQSYLNIQTM-PBHICJAKSA-N 1 0 398.345 2.744 10 0 GFAERO C[C@@H]([NH2+]CC(=O)NCC(C)(C)N1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000181865409 552269971 /nfs/dbraw/zinc/26/99/71/552269971.db2.gz XVYJPYGGPILKMI-CYBMUJFWSA-N 1 0 388.339 2.871 10 0 GFAERO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)s1)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000183015834 552298662 /nfs/dbraw/zinc/29/86/62/552298662.db2.gz KPKIUDGSVMDSFF-UWVGGRQHSA-N 1 0 387.914 2.727 10 0 GFAERO COCCC[N@H+](C)CCN[C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186213652 552382404 /nfs/dbraw/zinc/38/24/04/552382404.db2.gz QHJJWFUXQODNIR-SFHVURJKSA-N 1 0 393.329 2.886 10 0 GFAERO OCC[C@@]1(C[NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)CCOC1 ZINC000186251295 552382844 /nfs/dbraw/zinc/38/28/44/552382844.db2.gz DAKCQDJAPVDCOJ-ROUUACIJSA-N 1 0 392.297 2.707 10 0 GFAERO CNC(=O)C(C)(C)C[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186307940 552384790 /nfs/dbraw/zinc/38/47/90/552384790.db2.gz FAPSUEWDJFCZEX-OAHLLOKOSA-N 1 0 377.286 2.690 10 0 GFAERO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1Br ZINC000188129960 552436210 /nfs/dbraw/zinc/43/62/10/552436210.db2.gz YJJNDXCITHGARI-XJKSGUPXSA-N 1 0 396.329 2.849 10 0 GFAERO C[N@H+](CCOCC(F)(F)C(F)F)C[C@@H](c1cccs1)N1CCOCC1 ZINC000189200404 552465445 /nfs/dbraw/zinc/46/54/45/552465445.db2.gz KVLZKOXWFNDRHB-ZDUSSCGKSA-N 1 0 384.439 2.970 10 0 GFAERO CSc1nsc(NC(=O)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)n1 ZINC000190505423 552498790 /nfs/dbraw/zinc/49/87/90/552498790.db2.gz AEIDSGXIVGXNEW-ZDUSSCGKSA-N 1 0 378.527 2.641 10 0 GFAERO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000192842948 552975892 /nfs/dbraw/zinc/97/58/92/552975892.db2.gz XHZXRLRYQOBQJX-GFCCVEGCSA-N 1 0 381.885 2.585 10 0 GFAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000192939720 552978373 /nfs/dbraw/zinc/97/83/73/552978373.db2.gz HZVFFSICQMWHTP-INIZCTEOSA-N 1 0 379.913 2.878 10 0 GFAERO C[C@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1Cl ZINC000193109607 552983769 /nfs/dbraw/zinc/98/37/69/552983769.db2.gz RANHXUGXQIGJKZ-RYUDHWBXSA-N 1 0 381.885 2.665 10 0 GFAERO O=C([C@H]1CNC(=O)C1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000194525361 553023294 /nfs/dbraw/zinc/02/32/94/553023294.db2.gz MDVFDHDDIVLWMG-CQSZACIVSA-N 1 0 384.307 2.554 10 0 GFAERO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CCn2ccnc2C1 ZINC000236071900 553068714 /nfs/dbraw/zinc/06/87/14/553068714.db2.gz JHWRYYSGOHLEEH-UHFFFAOYSA-N 1 0 376.663 2.504 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000245635903 553094246 /nfs/dbraw/zinc/09/42/46/553094246.db2.gz GPHHTNJOAAYPCO-UWVGGRQHSA-N 1 0 395.269 2.585 10 0 GFAERO Cc1cc(S(=O)(=O)N2CCN3CCCC[C@H]3C2)sc1Br ZINC000246540710 553109606 /nfs/dbraw/zinc/10/96/06/553109606.db2.gz QEVWLYWLPMSUOT-NSHDSACASA-N 1 0 379.345 2.678 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2csc(I)c2)C1 ZINC000246805996 553113278 /nfs/dbraw/zinc/11/32/78/553113278.db2.gz DEGGNZHWTXMPCF-MWLCHTKSSA-N 1 0 378.279 2.811 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(C(=O)CCCc2ccccc2Br)C[C@H]1C ZINC000246869934 553114361 /nfs/dbraw/zinc/11/43/61/553114361.db2.gz CNDCHIVEBLTYPP-CABCVRRESA-N 1 0 383.330 2.685 10 0 GFAERO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000246942490 553115654 /nfs/dbraw/zinc/11/56/54/553115654.db2.gz JQYIITOZWJAJRF-MDZLAQPJSA-N 1 0 393.336 2.678 10 0 GFAERO CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000246982121 553116636 /nfs/dbraw/zinc/11/66/36/553116636.db2.gz UPCBHFAJNGLJBF-NKGKWGDASA-N 1 0 395.341 2.856 10 0 GFAERO CC[C@@H]1CN(C(=O)CCc2cccc(Br)c2)CC[N@@H+]1C[C@H](C)O ZINC000247060094 553118011 /nfs/dbraw/zinc/11/80/11/553118011.db2.gz ZATOLMFBABBLRF-WMLDXEAASA-N 1 0 383.330 2.685 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCn1c(=S)[nH]nc1-c1cccs1 ZINC000247246959 553120235 /nfs/dbraw/zinc/12/02/35/553120235.db2.gz NJUCVQRFULTYCH-OLZOCXBDSA-N 1 0 377.539 2.754 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000247313499 553121044 /nfs/dbraw/zinc/12/10/44/553121044.db2.gz OEDCUHXOROVKQE-DYVFJYSZSA-N 1 0 389.297 2.944 10 0 GFAERO CCOCC[N@@H+]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000247877917 553126745 /nfs/dbraw/zinc/12/67/45/553126745.db2.gz YWIHQRLZJNPTJJ-GDBMZVCRSA-N 1 0 391.339 2.776 10 0 GFAERO COc1cc(Br)c(CN[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1OC ZINC000261912118 553162247 /nfs/dbraw/zinc/16/22/47/553162247.db2.gz JDHCDNBAQQHOFC-NUEKZKHPSA-N 1 0 399.329 2.713 10 0 GFAERO COC[C@H]([NH3+])C(=O)N[C@](C)(Cc1cccc(Br)c1)c1ccccc1 ZINC000262515018 553172026 /nfs/dbraw/zinc/17/20/26/553172026.db2.gz KCNSDFOKOGOJKN-PKOBYXMFSA-N 1 0 391.309 2.997 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(F)c1I ZINC000533543942 564964630 /nfs/dbraw/zinc/96/46/30/564964630.db2.gz YPFIFYWIJMDAFS-MNOVXSKESA-N 1 0 388.224 2.739 10 0 GFAERO COCCC1(C(=O)Nc2ccc(I)cc2)CC[NH2+]CC1 ZINC000591592729 565233882 /nfs/dbraw/zinc/23/38/82/565233882.db2.gz WTTFPWMRSDBFPF-UHFFFAOYSA-N 1 0 388.249 2.636 10 0 GFAERO COc1cc(CNCc2csc(C)n2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000012373528 570413644 /nfs/dbraw/zinc/41/36/44/570413644.db2.gz BVLIVHLOVCBMHT-SFHVURJKSA-N 1 0 391.537 2.585 10 0 GFAERO COCCN1C(=O)C[C@@H](C[NH2+]C2CC(c3ccccc3C)C2)[C@@H]1c1cnn(C)c1 ZINC000275420614 570692345 /nfs/dbraw/zinc/69/23/45/570692345.db2.gz DOTPDIVKFYIDOD-IOORSOFGSA-N 1 0 396.535 2.800 10 0 GFAERO Cc1cc(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)ccc1Br ZINC000125632721 654800109 /nfs/dbraw/zinc/80/01/09/654800109.db2.gz YCUDWPDTOJFHFT-CQSZACIVSA-N 1 0 383.330 2.922 10 0 GFAERO CC[C@H]1CN(CC(=O)Nc2ccc(C)cc2Br)CC[N@@H+]1CCOC ZINC000106115719 655103573 /nfs/dbraw/zinc/10/35/73/655103573.db2.gz XWKSLKQVMRDOEB-HNNXBMFYSA-N 1 0 398.345 2.739 10 0 GFAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccccc1Br ZINC000111799404 655177437 /nfs/dbraw/zinc/17/74/37/655177437.db2.gz OCORLCWUDWGEIH-KBPBESRZSA-N 1 0 384.318 2.920 10 0 GFAERO C[C@H](CNC(=O)N[C@H](C)c1cccc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000173791992 655181378 /nfs/dbraw/zinc/18/13/78/655181378.db2.gz BKLAWBUNYCCNFI-HUUCEWRRSA-N 1 0 397.361 2.693 10 0 GFAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Br)c1)CC2 ZINC000112550638 655193304 /nfs/dbraw/zinc/19/33/04/655193304.db2.gz NRQRZDODOPPYQG-SMDDNHRTSA-N 1 0 392.301 2.535 10 0 GFAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Br)CC2 ZINC000112551257 655193583 /nfs/dbraw/zinc/19/35/83/655193583.db2.gz QQFGXLZIRTUEGK-RYUDHWBXSA-N 1 0 392.301 2.535 10 0 GFAERO C[C@@H](CCc1ccc(Br)cc1)NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117037902 655258717 /nfs/dbraw/zinc/25/87/17/655258717.db2.gz MQEYDHQBOLMIIH-YOEHRIQHSA-N 1 0 398.345 2.742 10 0 GFAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000176890270 655259193 /nfs/dbraw/zinc/25/91/93/655259193.db2.gz UHQDIHKBUCFLLJ-ZDUSSCGKSA-N 1 0 389.323 2.923 10 0 GFAERO COc1cc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)cc(Br)c1O ZINC000177557831 655281362 /nfs/dbraw/zinc/28/13/62/655281362.db2.gz NXEXMJORGHIYGT-ZDUSSCGKSA-N 1 0 393.285 2.712 10 0 GFAERO COc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)nc1Br ZINC000180607962 655328727 /nfs/dbraw/zinc/32/87/27/655328727.db2.gz SPNVTRQTOXNGTR-CQSZACIVSA-N 1 0 378.270 2.885 10 0 GFAERO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000189317865 655386036 /nfs/dbraw/zinc/38/60/36/655386036.db2.gz KEHKLOVQLGEZNJ-KCJUWKMLSA-N 1 0 397.722 2.530 10 0 GFAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000261766335 655442166 /nfs/dbraw/zinc/44/21/66/655442166.db2.gz OVGXETKLYIXCAA-LURJTMIESA-N 1 0 376.103 2.642 10 0 GFAERO COC[C@H]([NH3+])C(=O)Nc1nc(C)c(Cc2cccc(Br)c2)s1 ZINC000262595497 655446333 /nfs/dbraw/zinc/44/63/33/655446333.db2.gz WYFDZVMRDNDPCG-LBPRGKRZSA-N 1 0 384.299 2.717 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+]Cc2cccc(Br)c2)C1 ZINC000702781333 655521773 /nfs/dbraw/zinc/52/17/73/655521773.db2.gz PKYCZUWWHZUXRI-HIFRSBDPSA-N 1 0 385.302 2.767 10 0 GFAERO COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](CC(C)C)CC2 ZINC000014744925 210127254 /nfs/dbraw/zinc/12/72/54/210127254.db2.gz FSZWUZRBUKEEJM-UHFFFAOYSA-N 1 0 399.535 2.555 10 0 GFAERO Cc1cccc(C[NH2+][C@H]2CCc3c(c(C(=O)N4CCCCCC4)nn3C)C2)n1 ZINC000014530312 210119025 /nfs/dbraw/zinc/11/90/25/210119025.db2.gz GLOJVUONURIAIM-KRWDZBQOSA-N 1 0 381.524 2.787 10 0 GFAERO [NH3+][C@H](CNC(=O)c1ccc(F)cc1)c1ccc(C(=O)Nc2ccncc2)cc1 ZINC000090558132 209238392 /nfs/dbraw/zinc/23/83/92/209238392.db2.gz YMDMEDJJJCJVIT-LJQANCHMSA-N 1 0 378.407 2.903 10 0 GFAERO CC(C)CN1CCn2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)nc2C1 ZINC000097939176 211374336 /nfs/dbraw/zinc/37/43/36/211374336.db2.gz NDBOJRUDCRUVGS-UHFFFAOYSA-N 1 0 395.551 2.749 10 0 GFAERO [NH3+]C1CCN(c2nc3ccsc3c(=O)n2Cc2cc(F)ccc2F)CC1 ZINC000057344468 527145276 /nfs/dbraw/zinc/14/52/76/527145276.db2.gz FXMGULOGJXTUBJ-UHFFFAOYSA-N 1 0 376.432 2.712 10 0 GFAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1I ZINC000405629392 563539616 /nfs/dbraw/zinc/53/96/16/563539616.db2.gz YRMLLVFEBNCELM-PELKAZGASA-N 1 0 378.641 2.701 10 0 GFAERO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)c1ccc(F)cc1Br ZINC000040446199 551134785 /nfs/dbraw/zinc/13/47/85/551134785.db2.gz YIQXSRWKZNBTLM-GFCCVEGCSA-N 1 0 381.311 2.843 10 0 GFAERO Cc1cc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)ccc1Br ZINC000121823774 551243486 /nfs/dbraw/zinc/24/34/86/551243486.db2.gz YXNBSTBTJDQLNT-AWEZNQCLSA-N 1 0 384.318 2.789 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc(Br)sc1C ZINC000122461076 551298384 /nfs/dbraw/zinc/29/83/84/551298384.db2.gz YXEZMFGPELLLBS-NSHDSACASA-N 1 0 381.361 2.924 10 0 GFAERO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000151428516 551413448 /nfs/dbraw/zinc/41/34/48/551413448.db2.gz OAJJCCMECFNPHD-AWEZNQCLSA-N 1 0 377.286 2.719 10 0 GFAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000158270135 551549611 /nfs/dbraw/zinc/54/96/11/551549611.db2.gz DAGIWZSVQJVCHJ-OAHLLOKOSA-N 1 0 392.301 2.862 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000162559184 551609751 /nfs/dbraw/zinc/60/97/51/551609751.db2.gz GPHHTNJOAAYPCO-NXEZZACHSA-N 1 0 395.269 2.585 10 0 GFAERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)[C@@H](C)C1 ZINC000164921845 551627870 /nfs/dbraw/zinc/62/78/70/551627870.db2.gz HOHNGKFUKOWXJZ-FZMZJTMJSA-N 1 0 375.441 2.533 10 0 GFAERO CCOc1cc(Br)c(CC(=O)N2CC[C@H]([NH+](C)C)C2)cc1OCC ZINC000170859296 551641659 /nfs/dbraw/zinc/64/16/59/551641659.db2.gz DMHBRWKALGMIMT-AWEZNQCLSA-N 1 0 399.329 2.952 10 0 GFAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000175897727 552131377 /nfs/dbraw/zinc/13/13/77/552131377.db2.gz NBMFTKQZKIFOJM-GFCCVEGCSA-N 1 0 380.539 2.903 10 0 GFAERO C[C@@H]([NH2+]CC(=O)N(CCC(N)=O)Cc1ccccc1)c1ccc(Cl)s1 ZINC000182991477 552297852 /nfs/dbraw/zinc/29/78/52/552297852.db2.gz XDLFONHQHQFGPD-CYBMUJFWSA-N 1 0 379.913 2.956 10 0 GFAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C(N)=O)c2cccc(Br)c2)C12CCOCC2 ZINC000185005346 552350904 /nfs/dbraw/zinc/35/09/04/552350904.db2.gz NAMLCDIAOGEACS-OAGGEKHMSA-N 1 0 397.313 2.539 10 0 GFAERO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000185515516 552365267 /nfs/dbraw/zinc/36/52/67/552365267.db2.gz SPNKXFSHCZDJGI-CABCVRRESA-N 1 0 397.361 2.835 10 0 GFAERO CC[C@@H]1CN(C(=O)Cc2ccc(C)c(Br)c2)CC[N@@H+]1C[C@@H](C)O ZINC000188190086 552438801 /nfs/dbraw/zinc/43/88/01/552438801.db2.gz RUSVNGBBSOUINV-GDBMZVCRSA-N 1 0 383.330 2.604 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000190334969 552492907 /nfs/dbraw/zinc/49/29/07/552492907.db2.gz WMEMQFYCKLHPIQ-CHWSQXEVSA-N 1 0 398.276 2.612 10 0 GFAERO O=C(Cc1ccc(I)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000190883695 552512506 /nfs/dbraw/zinc/51/25/06/552512506.db2.gz AHTFNDHZPLGHLC-HNNXBMFYSA-N 1 0 384.261 2.530 10 0 GFAERO COc1cc(Cl)c(Cl)cc1NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000191277391 552523760 /nfs/dbraw/zinc/52/37/60/552523760.db2.gz LATMRZDIYKCHKV-LLVKDONJSA-N 1 0 376.284 2.970 10 0 GFAERO CN1CCO[C@@H](C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000191529271 552530809 /nfs/dbraw/zinc/53/08/09/552530809.db2.gz YFVGLGLDRJGCIK-ZWKOTPCHSA-N 1 0 383.330 2.837 10 0 GFAERO [NH3+]C[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000193245880 552987288 /nfs/dbraw/zinc/98/72/88/552987288.db2.gz KHOUHPVBEYFCGV-QMMMGPOBSA-N 1 0 385.686 2.744 10 0 GFAERO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C[C@@H]1[NH3+] ZINC000235346613 553068229 /nfs/dbraw/zinc/06/82/29/553068229.db2.gz BXTHKIBXJXVWTH-LDWIPMOCSA-N 1 0 388.114 2.724 10 0 GFAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(I)c1 ZINC000237847081 553082793 /nfs/dbraw/zinc/08/27/93/553082793.db2.gz MWOQWNXBPJFWSB-JTQLQIEISA-N 1 0 378.641 2.898 10 0 GFAERO CC[C@H]1CN(C(=O)Nc2nnc(-c3ccsc3)s2)CC[N@@H+]1C[C@H](C)O ZINC000245617369 553094396 /nfs/dbraw/zinc/09/43/96/553094396.db2.gz VRBNARZZGFRFLR-AAEUAGOBSA-N 1 0 381.527 2.576 10 0 GFAERO OC[C@H]1c2ccccc2CC[N@H+]1C[C@@H](O)COc1cccc(Br)c1 ZINC000246367908 553107222 /nfs/dbraw/zinc/10/72/22/553107222.db2.gz LCVZNWWMOZWEPN-APWZRJJASA-N 1 0 392.293 2.781 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N(C)Cc1ccccc1Br ZINC000247086223 553118948 /nfs/dbraw/zinc/11/89/48/553118948.db2.gz IAQYIXLQULVJCR-ZBFHGGJFSA-N 1 0 380.330 2.576 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000247480704 553122432 /nfs/dbraw/zinc/12/24/32/553122432.db2.gz SQELTYXJXYDUAE-ZJUUUORDSA-N 1 0 395.269 2.585 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(Br)ccc1Cl ZINC000247510000 553123594 /nfs/dbraw/zinc/12/35/94/553123594.db2.gz VTKFIXSXQUENTH-JQWIXIFHSA-N 1 0 393.734 2.960 10 0 GFAERO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247576388 553124061 /nfs/dbraw/zinc/12/40/61/553124061.db2.gz HVSGRTFLECPYML-ZIAGYGMSSA-N 1 0 392.301 2.780 10 0 GFAERO CCOCC[N@@H+]1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)C[C@H]1C ZINC000247601641 553124131 /nfs/dbraw/zinc/12/41/31/553124131.db2.gz LBSWKFHFGZORAY-CABCVRRESA-N 1 0 391.339 2.776 10 0 GFAERO C[C@@H]1C[N@H+](Cc2cc(Br)cc3c2OCC3)C[C@H]1N1CCOCC1 ZINC000248873781 553136109 /nfs/dbraw/zinc/13/61/09/553136109.db2.gz QWGRQYYYPIYDKE-CXAGYDPISA-N 1 0 381.314 2.537 10 0 GFAERO CC[C@@H]1CN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000252352396 553149202 /nfs/dbraw/zinc/14/92/02/553149202.db2.gz BXGPBNURXREFAG-RBSFLKMASA-N 1 0 391.339 2.510 10 0 GFAERO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C[C@H]1[NH3+] ZINC000261563997 553153408 /nfs/dbraw/zinc/15/34/08/553153408.db2.gz BXTHKIBXJXVWTH-LHLIQPBNSA-N 1 0 388.114 2.724 10 0 GFAERO C[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C[C@H]1[NH3+] ZINC000261563998 553153659 /nfs/dbraw/zinc/15/36/59/553153659.db2.gz BXTHKIBXJXVWTH-QUBYGPBYSA-N 1 0 388.114 2.724 10 0 GFAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1Oc1cccc(Br)c1 ZINC000262068457 553165206 /nfs/dbraw/zinc/16/52/06/553165206.db2.gz BKTQKXITZPMBRF-LRDDRELGSA-N 1 0 391.265 2.552 10 0 GFAERO c1csc(C[NH2+]C[C@H]2Cn3cc(-c4ccc5c(c4)OCCCO5)nc3CO2)n1 ZINC000096269333 560054001 /nfs/dbraw/zinc/05/40/01/560054001.db2.gz QVPNEADSKJMJRK-HNNXBMFYSA-N 1 0 398.488 2.857 10 0 GFAERO C[C@@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@H]1C[NH3+] ZINC000638897559 565217290 /nfs/dbraw/zinc/21/72/90/565217290.db2.gz BEWXZXLFEIDLRZ-RKDXNWHRSA-N 1 0 376.092 2.878 10 0 GFAERO C[N@@H+]1CCCN(Cc2ccc(-c3nc(-c4cccnc4)cc(=O)[nH]3)cc2)CC1 ZINC000048057138 570217680 /nfs/dbraw/zinc/21/76/80/570217680.db2.gz WLBZNAWMVCBQOK-UHFFFAOYSA-N 1 0 375.476 2.636 10 0 GFAERO COCCN(C)c1cnn([C@@H]2CCC[N@H+](Cc3cc(C)cc(C)c3)C2)c(=O)c1 ZINC000583618341 570800453 /nfs/dbraw/zinc/80/04/53/570800453.db2.gz PIBHXPTWXPAYNQ-HXUWFJFHSA-N 1 0 384.524 2.780 10 0 GFAERO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2)cc1S(N)(=O)=O ZINC000015482961 654510268 /nfs/dbraw/zinc/51/02/68/654510268.db2.gz BIEQWCIWKRCOKV-GFCCVEGCSA-N 1 0 381.885 2.585 10 0 GFAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Cc1ccccc1I ZINC000123198720 654752941 /nfs/dbraw/zinc/75/29/41/654752941.db2.gz XXUCVIJFTXABFB-CQSZACIVSA-N 1 0 388.293 2.926 10 0 GFAERO CN1CCO[C@@H](C[NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000124558402 654778726 /nfs/dbraw/zinc/77/87/26/654778726.db2.gz WXVVVEPMORWKEM-NSHDSACASA-N 1 0 378.108 2.632 10 0 GFAERO Cn1cc(C[N@@H+]2CCCN(CCOc3ccccc3Br)CC2)cn1 ZINC000126673411 654818640 /nfs/dbraw/zinc/81/86/40/654818640.db2.gz XEQMCMKBXBAZSD-UHFFFAOYSA-N 1 0 393.329 2.769 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccccc1I ZINC000133057112 654953514 /nfs/dbraw/zinc/95/35/14/654953514.db2.gz DPFSOIQYZYEAES-GXTWGEPZSA-N 1 0 384.261 2.529 10 0 GFAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cccc(F)c2I)C1 ZINC000133569890 654967886 /nfs/dbraw/zinc/96/78/86/654967886.db2.gz XRKVWQRAMVBWKC-VIFPVBQESA-N 1 0 377.201 2.598 10 0 GFAERO CC[C@@H]1CN(C[C@H](O)COc2c(Cl)cccc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000106103018 655102733 /nfs/dbraw/zinc/10/27/33/655102733.db2.gz BXGPBNURXREFAG-KFWWJZLASA-N 1 0 391.339 2.510 10 0 GFAERO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106174080 655104460 /nfs/dbraw/zinc/10/44/60/655104460.db2.gz OMPKHVVIKPECDP-KBPBESRZSA-N 1 0 385.295 2.737 10 0 GFAERO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1nc(Cl)ccc1Cl ZINC000159355999 655113799 /nfs/dbraw/zinc/11/37/99/655113799.db2.gz XTPCZTZHAHEBSO-AWEZNQCLSA-N 1 0 380.275 2.537 10 0 GFAERO Cn1c(COc2ccccc2Cl)nn(CN2CC[C@@H]([NH+](C)C)C2)c1=S ZINC000170843694 655146635 /nfs/dbraw/zinc/14/66/35/655146635.db2.gz FUIKYELOIOZSHZ-CYBMUJFWSA-N 1 0 381.933 2.777 10 0 GFAERO CC[C@H](O)C[NH+]1CCN(Cc2coc(-c3ccc(Br)cc3)n2)CC1 ZINC000174078655 655191543 /nfs/dbraw/zinc/19/15/43/655191543.db2.gz YPMDPKJKSKSBAQ-KRWDZBQOSA-N 1 0 394.313 2.993 10 0 GFAERO CC[C@@H](O)C[NH+]1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)CC1 ZINC000174075633 655191554 /nfs/dbraw/zinc/19/15/54/655191554.db2.gz RRTHSEKQJQRBIO-MRXNPFEDSA-N 1 0 394.313 2.993 10 0 GFAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCSc2nc3ccccc3s2)C[C@@H]1C ZINC000174338616 655199877 /nfs/dbraw/zinc/19/98/77/655199877.db2.gz JZZRPOJKPBVFDL-UONOGXRCSA-N 1 0 379.551 2.692 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C)Cc1ccccc1Br ZINC000113270035 655206416 /nfs/dbraw/zinc/20/64/16/655206416.db2.gz IAQYIXLQULVJCR-GDBMZVCRSA-N 1 0 380.330 2.576 10 0 GFAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Cc2cccc(Br)c2)CC1 ZINC000176458636 655246146 /nfs/dbraw/zinc/24/61/46/655246146.db2.gz YMJDANPXEHQCOF-CQSZACIVSA-N 1 0 383.330 2.543 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)CCSc2ccccc2Br)CCO1 ZINC000116787827 655253630 /nfs/dbraw/zinc/25/36/30/655253630.db2.gz STRDRRFEXPQZNY-CYBMUJFWSA-N 1 0 387.343 2.720 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(Br)cnc1Cl ZINC000118660633 655280138 /nfs/dbraw/zinc/28/01/38/655280138.db2.gz RFDGNIZOQODSIG-LLVKDONJSA-N 1 0 396.738 2.602 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)c2nc(Br)ccc2Br)C1 ZINC000191300841 655397546 /nfs/dbraw/zinc/39/75/46/655397546.db2.gz MLPVVYWTTDAGGL-VIFPVBQESA-N 1 0 391.107 2.821 10 0 GFAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(I)c(Cl)c1 ZINC000226270661 655422657 /nfs/dbraw/zinc/42/26/57/655422657.db2.gz ZBHYOESVNRSIHF-JOYOIKCWSA-N 1 0 378.641 2.802 10 0 GFAERO CC[C@@H]1CN(C(=O)CSc2nc3ccccc3s2)CCN1C[C@H](C)O ZINC000246815152 655430661 /nfs/dbraw/zinc/43/06/61/655430661.db2.gz KVZJUCFRZCXOHJ-UONOGXRCSA-N 1 0 379.551 2.692 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C/c1ccc(I)o1 ZINC000252443619 655435139 /nfs/dbraw/zinc/43/51/39/655435139.db2.gz DBMZWXHINOGAJU-BAEOLTKYSA-N 1 0 386.233 2.593 10 0 GFAERO C[NH2+][C@@H](C)CNC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 ZINC000261654723 655441570 /nfs/dbraw/zinc/44/15/70/655441570.db2.gz FJEOVZFOMSDFCR-ZDUSSCGKSA-N 1 0 378.519 2.579 10 0 GFAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1cc2c(c(Br)c1)OCO2 ZINC000261688254 655441901 /nfs/dbraw/zinc/44/19/01/655441901.db2.gz RKYIEURWADNOEX-BTOWRCTQSA-N 1 0 381.270 2.814 10 0 GFAERO Brc1cccc(-c2noc(-c3ncn([C@@H]4CCC[NH2+]C4)n3)n2)c1 ZINC000261861105 655442635 /nfs/dbraw/zinc/44/26/35/655442635.db2.gz UHOSJIHMXCJGKJ-GFCCVEGCSA-N 1 0 375.230 2.682 10 0 GFAERO CC[C@@H](O)C[NH+]1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000118858530 677395725 /nfs/dbraw/zinc/39/57/25/677395725.db2.gz VFALMGBWCZDCMB-GFCCVEGCSA-N 1 0 394.730 2.974 10 0 GFAERO COc1ccc(CN2C(=O)N(C)C3(CC[NH+](Cc4ccncc4)CC3)C2=O)cc1 ZINC000014749430 210127274 /nfs/dbraw/zinc/12/72/74/210127274.db2.gz KLGZFPXFIABOMX-UHFFFAOYSA-N 1 0 394.475 2.519 10 0 GFAERO CSCCC[NH2+][C@@H]1CCc2c(c(C(=O)N(C)Cc3ccccc3)nn2C)C1 ZINC000014755054 210126088 /nfs/dbraw/zinc/12/60/88/210126088.db2.gz DSAFXHWDCAXJHT-QGZVFWFLSA-N 1 0 386.565 2.892 10 0 GFAERO CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]Cc1cccnc1)CC2 ZINC000014742025 210124823 /nfs/dbraw/zinc/12/48/23/210124823.db2.gz SYCLFSHMNUYVDB-IBGZPJMESA-N 1 0 389.503 2.734 10 0 GFAERO NC(=[NH2+])c1cccc(Oc2cc(C(=O)[O-])cc(Oc3cccc(C(N)=[NH2+])c3)n2)c1 ZINC000013474062 210063753 /nfs/dbraw/zinc/06/37/53/210063753.db2.gz NKMYAABWJWHHLH-UHFFFAOYSA-N 1 0 391.387 2.933 10 0 GFAERO COc1ccc(C[C@H](c2ccc(C)cc2)[NH+]2CCN(CCO)CC2)cc1OC ZINC000022459505 209237982 /nfs/dbraw/zinc/23/79/82/209237982.db2.gz WSROJGZWMLBGKW-OAQYLSRUSA-N 1 0 384.520 2.906 10 0 GFAERO COc1ccc([C@H]2CCCN2C(=O)[C@@H]2C[C@H]([NH3+])CN2C(=O)OC(C)(C)C)cc1 ZINC000261507038 209224558 /nfs/dbraw/zinc/22/45/58/209224558.db2.gz DRHWFQYBDIGCKB-JQHSSLGASA-N 1 0 389.496 2.695 10 0 GFAERO O=C(Cn1cc(-c2ccc(F)cc2)oc1=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000065255645 211954823 /nfs/dbraw/zinc/95/48/23/211954823.db2.gz QFCJBQXUJRDPAD-UHFFFAOYSA-N 1 0 387.455 2.724 10 0 GFAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cn1c2cccnc2n(C2CCCCC2)c1=O ZINC000065202694 211953247 /nfs/dbraw/zinc/95/32/47/211953247.db2.gz ZOSOTKLUPZCPSE-KRWDZBQOSA-N 1 0 399.539 2.694 10 0 GFAERO COc1cccc(N2CCN(C(=O)[C@@H]3CCCN(c4cc[nH+]cc4)C3)CC2)c1 ZINC000035259858 210676191 /nfs/dbraw/zinc/67/61/91/210676191.db2.gz GDVZMNROUOQIRD-GOSISDBHSA-N 1 0 380.492 2.655 10 0 GFAERO COc1ccc(-c2cn3c(C(=O)N4CC[C@H]([NH+](C)C)C4)csc3n2)cc1F ZINC000011819274 221129895 /nfs/dbraw/zinc/12/98/95/221129895.db2.gz HBKCAMNRPQVGCQ-ZDUSSCGKSA-N 1 0 388.468 2.987 10 0 GFAERO [NH3+][C@@H]1CCCN(c2nc3ccsc3c(=O)n2Cc2cc(F)cc(F)c2)C1 ZINC000057344539 527348548 /nfs/dbraw/zinc/34/85/48/527348548.db2.gz DAMNLMOKMKNACY-CQSZACIVSA-N 1 0 376.432 2.712 10 0 GFAERO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000028878504 551125105 /nfs/dbraw/zinc/12/51/05/551125105.db2.gz JQYIITOZWJAJRF-GMXVVIOVSA-N 1 0 393.336 2.678 10 0 GFAERO O=C(Nc1cccc(I)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000104975094 551198860 /nfs/dbraw/zinc/19/88/60/551198860.db2.gz SQOMTDJZMHPTJF-AWEZNQCLSA-N 1 0 385.249 2.993 10 0 GFAERO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000129356616 551356335 /nfs/dbraw/zinc/35/63/35/551356335.db2.gz FUEJEOQPPFAGMG-OAHLLOKOSA-N 1 0 396.329 2.933 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000151545397 551416070 /nfs/dbraw/zinc/41/60/70/551416070.db2.gz ZGKJHMQAIARZRA-JTQLQIEISA-N 1 0 390.709 2.888 10 0 GFAERO CC[C@@H]1CN(C(=O)Cc2ccc(Br)c(F)c2)CC[N@@H+]1CCOC ZINC000152387960 551432128 /nfs/dbraw/zinc/43/21/28/551432128.db2.gz HTMUYAYSQUHHLL-CQSZACIVSA-N 1 0 387.293 2.700 10 0 GFAERO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000156117015 551514916 /nfs/dbraw/zinc/51/49/16/551514916.db2.gz CEBIHYOVWMKDSN-CYBMUJFWSA-N 1 0 399.333 2.924 10 0 GFAERO O=C(CN1CCC[C@@H](C(F)(F)F)C1)N1CCN(Cc2cccs2)CC1 ZINC000170717227 551638100 /nfs/dbraw/zinc/63/81/00/551638100.db2.gz WKKBYUHALAPAQV-CQSZACIVSA-N 1 0 375.460 2.667 10 0 GFAERO C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000170866842 551641464 /nfs/dbraw/zinc/64/14/64/551641464.db2.gz NDJXQDZPCRCIMV-XJKSGUPXSA-N 1 0 384.307 2.761 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000177027027 552150127 /nfs/dbraw/zinc/15/01/27/552150127.db2.gz USSKHDPXDFLLQZ-ZDUSSCGKSA-N 1 0 392.297 2.847 10 0 GFAERO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177697193 552157264 /nfs/dbraw/zinc/15/72/64/552157264.db2.gz HQPGPROQCHHBIA-NSHDSACASA-N 1 0 375.778 2.604 10 0 GFAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000180124887 552214323 /nfs/dbraw/zinc/21/43/23/552214323.db2.gz ZWUJNZNJLHAAMO-GFCCVEGCSA-N 1 0 377.819 2.910 10 0 GFAERO CC[C@@H](O)C[NH+]1CCN(Cc2ccc(Br)c3cccnc23)CC1 ZINC000180128920 552214336 /nfs/dbraw/zinc/21/43/36/552214336.db2.gz BXDMDXKRJZOSFK-OAHLLOKOSA-N 1 0 378.314 2.886 10 0 GFAERO CC[C@H]1CN(Cc2nc3cc(Br)ccc3[nH]2)CC[N@@H+]1C[C@@H](C)O ZINC000184966953 552349346 /nfs/dbraw/zinc/34/93/46/552349346.db2.gz GIKKNSHNCFKNBW-OCCSQVGLSA-N 1 0 381.318 2.602 10 0 GFAERO COCC[C@@](C)(O)C[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186196272 552381856 /nfs/dbraw/zinc/38/18/56/552381856.db2.gz QONVLGNEEOQTHZ-DLBZAZTESA-N 1 0 380.286 2.706 10 0 GFAERO CCO[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)C12CCOCC2 ZINC000186287077 552383938 /nfs/dbraw/zinc/38/39/38/552383938.db2.gz XKKCPMXFRIMJMJ-HOTGVXAUSA-N 1 0 397.313 2.951 10 0 GFAERO Cc1c(Br)c2ccccc2n1CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000186890895 552400727 /nfs/dbraw/zinc/40/07/27/552400727.db2.gz GBSIBWKWMUXYDY-CFVMTHIKSA-N 1 0 376.298 2.908 10 0 GFAERO Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc(C)c1Br ZINC000190624055 552503833 /nfs/dbraw/zinc/50/38/33/552503833.db2.gz VPSXVALFRWWORW-DZGCQCFKSA-N 1 0 396.329 2.849 10 0 GFAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc(C)c2)C1 ZINC000192931526 552978431 /nfs/dbraw/zinc/97/84/31/552978431.db2.gz MUJXXYFHWBATMZ-INIZCTEOSA-N 1 0 379.551 2.903 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000194634955 553025891 /nfs/dbraw/zinc/02/58/91/553025891.db2.gz PKLJMZRSDSEBOA-GFCCVEGCSA-N 1 0 378.523 2.600 10 0 GFAERO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2nccs2)C1 ZINC000195265363 553043155 /nfs/dbraw/zinc/04/31/55/553043155.db2.gz CJPMAJKGQMSIQT-KBPBESRZSA-N 1 0 379.555 2.689 10 0 GFAERO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C[C@@H]1[NH+](C)C ZINC000235670535 553068686 /nfs/dbraw/zinc/06/86/86/553068686.db2.gz LUDGFDRKFIQXQZ-ZANVPECISA-N 1 0 381.723 2.673 10 0 GFAERO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246337025 553106466 /nfs/dbraw/zinc/10/64/66/553106466.db2.gz GSASNDRREHPZHZ-UKRRQHHQSA-N 1 0 396.329 2.849 10 0 GFAERO Cc1cc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)ccc1Br ZINC000246557221 553109879 /nfs/dbraw/zinc/10/98/79/553109879.db2.gz WJJQAJMOORKPBD-DOMZBBRYSA-N 1 0 382.302 2.541 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000246863749 553114206 /nfs/dbraw/zinc/11/42/06/553114206.db2.gz DILMQJLWIMISHU-KGLIPLIRSA-N 1 0 395.297 2.919 10 0 GFAERO CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC[N@@H+]1C[C@H](C)O ZINC000247048507 553118217 /nfs/dbraw/zinc/11/82/17/553118217.db2.gz YLIWHCVXVRFBKJ-HNONPPJISA-N 1 0 395.341 2.856 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000247507191 553123555 /nfs/dbraw/zinc/12/35/55/553123555.db2.gz VNQXRLYHGGDBRW-JSGCOSHPSA-N 1 0 377.337 2.936 10 0 GFAERO C[C@@H](NC(=O)CN1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000247813709 553125642 /nfs/dbraw/zinc/12/56/42/553125642.db2.gz VPSSGILZUPUFIB-MELADBBJSA-N 1 0 388.339 2.558 10 0 GFAERO CCOCC[N@@H+]1CCN(Cc2nc3cc(Br)ccc3[nH]2)C[C@H]1C ZINC000248580386 553131029 /nfs/dbraw/zinc/13/10/29/553131029.db2.gz VOPMSSLOBRYDBK-CYBMUJFWSA-N 1 0 381.318 2.868 10 0 GFAERO Cc1c(Br)c2ccccc2n1CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248585284 553131219 /nfs/dbraw/zinc/13/12/19/553131219.db2.gz GBSIBWKWMUXYDY-QEJZJMRPSA-N 1 0 376.298 2.908 10 0 GFAERO CC[N@H+](CCO)CCNC(=O)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000248638212 553132578 /nfs/dbraw/zinc/13/25/78/553132578.db2.gz LYXQNLPDONIUPT-WBVHZDCISA-N 1 0 389.323 2.892 10 0 GFAERO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000248886735 553136834 /nfs/dbraw/zinc/13/68/34/553136834.db2.gz RBKXRNPQGVBHQF-IINYFYTJSA-N 1 0 388.295 2.785 10 0 GFAERO CC[C@@H]1CN(C(=O)CCc2ccc(C)cc2Br)CC[N@@H+]1C[C@H](C)O ZINC000249369484 553142233 /nfs/dbraw/zinc/14/22/33/553142233.db2.gz WDJPIBYXPXBIMH-DOTOQJQBSA-N 1 0 397.357 2.994 10 0 GFAERO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc4cc(Br)ccc4c3)C[C@@H]12 ZINC000249555113 553144261 /nfs/dbraw/zinc/14/42/61/553144261.db2.gz LTIULFUKKMMNLF-KBRIMQKVSA-N 1 0 395.322 2.960 10 0 GFAERO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000262669294 553174132 /nfs/dbraw/zinc/17/41/32/553174132.db2.gz MFKZVKVGIDERSI-KMFMINBZSA-N 1 0 380.330 2.782 10 0 GFAERO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](n3ncc(N4CCC(O)CC4)cc3=O)C2)c1 ZINC000583618325 570800388 /nfs/dbraw/zinc/80/03/88/570800388.db2.gz NZGBHJZAHDSOHE-HXUWFJFHSA-N 1 0 396.535 2.658 10 0 GFAERO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(Br)nc2)C[C@@H]1CC ZINC000133008992 654952013 /nfs/dbraw/zinc/95/20/13/654952013.db2.gz NEEYGXBWLHFWRJ-AWEZNQCLSA-N 1 0 385.306 2.809 10 0 GFAERO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106171500 655104016 /nfs/dbraw/zinc/10/40/16/655104016.db2.gz PHTPFMLJNRZSRQ-ZFWWWQNUSA-N 1 0 385.295 2.737 10 0 GFAERO Brc1cc2c(cc1C[N@@H+]1CCC[C@H](Cn3cncn3)C1)OCO2 ZINC000106174807 655104370 /nfs/dbraw/zinc/10/43/70/655104370.db2.gz OYINJWGTGRJFQC-LBPRGKRZSA-N 1 0 379.258 2.682 10 0 GFAERO CN(C(=O)c1ccccc1Br)C1CC[NH+](CCn2cccn2)CC1 ZINC000112910736 655199530 /nfs/dbraw/zinc/19/95/30/655199530.db2.gz WMNIVAXCLDSYJU-UHFFFAOYSA-N 1 0 391.313 2.882 10 0 GFAERO Brc1ccc2ncc(C[NH2+][C@H]3CCCN(c4cccnn4)C3)n2c1 ZINC000174361911 655200276 /nfs/dbraw/zinc/20/02/76/655200276.db2.gz WRVVVNAJEISIQY-AWEZNQCLSA-N 1 0 387.285 2.645 10 0 GFAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CCc2cccc(Br)c2)CC1 ZINC000176448257 655245933 /nfs/dbraw/zinc/24/59/33/655245933.db2.gz RCKYJPUGPUMPBK-HNNXBMFYSA-N 1 0 397.357 2.933 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)CCCCOc2ccc(Br)cc2)CCO1 ZINC000116785035 655253347 /nfs/dbraw/zinc/25/33/47/655253347.db2.gz DOFPYJBBYWSYQO-KRWDZBQOSA-N 1 0 399.329 2.787 10 0 GFAERO CC[C@H]1CN(C(=O)CCc2cccc(Br)c2)CC[N@@H+]1CCOC ZINC000117307354 655263942 /nfs/dbraw/zinc/26/39/42/655263942.db2.gz MBLQHALMLSMTFT-KRWDZBQOSA-N 1 0 383.330 2.951 10 0 GFAERO CC[C@H]1CN(Cn2nc(Cc3cccs3)oc2=S)CC[N@@H+]1CCOC ZINC000117324544 655264139 /nfs/dbraw/zinc/26/41/39/655264139.db2.gz ZIUSRAAVOSJKHG-AWEZNQCLSA-N 1 0 382.555 2.858 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(C)cc1Br ZINC000118670343 655280347 /nfs/dbraw/zinc/28/03/47/655280347.db2.gz FYWCCZBKYWNOKC-ZDUSSCGKSA-N 1 0 375.332 2.862 10 0 GFAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H]2CSCCS2)C1 ZINC000190532615 655392838 /nfs/dbraw/zinc/39/28/38/655392838.db2.gz JSPGPMNIYFVFGS-HUUCEWRRSA-N 1 0 385.624 2.971 10 0 GFAERO CC[C@H]1CN(C(=O)c2ccc(OC(F)(F)Cl)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000194695450 655417027 /nfs/dbraw/zinc/41/70/27/655417027.db2.gz WJSVYQVRCHHIMD-OCCSQVGLSA-N 1 0 376.831 2.772 10 0 GFAERO Cn1c(C(=O)N(C(=O)[C@@H]2CCC[NH2+]C2)C2CC2)cc2oc(Br)cc21 ZINC000223701971 655422342 /nfs/dbraw/zinc/42/23/42/655422342.db2.gz ALLDSFRWDKLKMF-SNVBAGLBSA-N 1 0 394.269 2.665 10 0 GFAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)c(I)c1 ZINC000237834027 655426712 /nfs/dbraw/zinc/42/67/12/655426712.db2.gz DPSXRRLUZHJCLU-BXKDBHETSA-N 1 0 378.641 2.802 10 0 GFAERO [NH3+][C@@H]1CC[C@H](C(=O)NCCSCCOc2cccc(Br)c2)C1 ZINC000237995784 655426831 /nfs/dbraw/zinc/42/68/31/655426831.db2.gz BPMCRXTWFDUESS-GXTWGEPZSA-N 1 0 387.343 2.805 10 0 GFAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000237997706 655426847 /nfs/dbraw/zinc/42/68/47/655426847.db2.gz GTXKCKMWNQXKAB-UVBJJODRSA-N 1 0 384.307 2.842 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C\c1ccc(I)o1 ZINC000255767550 655440511 /nfs/dbraw/zinc/44/05/11/655440511.db2.gz CRILFQGLCKGRAC-ZVTBTPLYSA-N 1 0 388.249 2.840 10 0 GFAERO Cc1cccc(C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@H]3C2)c1I ZINC000380761724 677405888 /nfs/dbraw/zinc/40/58/88/677405888.db2.gz PNLCFZBKLXXEQZ-STQMWFEESA-N 1 0 384.261 2.623 10 0 GFAERO CCN(CC)C(=O)c1cc2c(s1)CC[C@H](C(=O)NC1CC[NH+](C)CC1)C2 ZINC000065272702 222119339 /nfs/dbraw/zinc/11/93/39/222119339.db2.gz GMQVRGFZYAEXHP-AWEZNQCLSA-N 1 0 377.554 2.545 10 0 GFAERO O=c1c2sccc2nc(N2CC[NH2+]CC2)n1Cc1cccc(C(F)(F)F)c1 ZINC000057344444 527472800 /nfs/dbraw/zinc/47/28/00/527472800.db2.gz DXDDXGPNISATBK-UHFFFAOYSA-N 1 0 394.422 2.935 10 0 GFAERO O=C(c1cc(Cl)ccc1I)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000049516024 551159015 /nfs/dbraw/zinc/15/90/15/551159015.db2.gz KUAGAUMXSKXLJZ-LLVKDONJSA-N 1 0 390.652 2.865 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc(C)ccc1Br ZINC000128014735 551345592 /nfs/dbraw/zinc/34/55/92/551345592.db2.gz BPPQDFPVEOLFRM-ZDUSSCGKSA-N 1 0 375.332 2.862 10 0 GFAERO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1Br ZINC000129349252 551356344 /nfs/dbraw/zinc/35/63/44/551356344.db2.gz FPWRGCJBXDVSOF-OAHLLOKOSA-N 1 0 396.329 2.933 10 0 GFAERO CC[C@H]1CN(C(=O)Cc2cc(Br)ccc2F)CC[N@@H+]1CCOC ZINC000151167824 551408382 /nfs/dbraw/zinc/40/83/82/551408382.db2.gz HDXDAKOIXRLOIX-HNNXBMFYSA-N 1 0 387.293 2.700 10 0 GFAERO C[C@@H]([NH2+]CCS(=O)(=O)N1CCSCC1)[C@H](C)c1nc2ccccc2s1 ZINC000155776436 551507565 /nfs/dbraw/zinc/50/75/65/551507565.db2.gz UCZNUESYVRAPES-UONOGXRCSA-N 1 0 399.607 2.757 10 0 GFAERO CCN(C(=O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000155976742 551512060 /nfs/dbraw/zinc/51/20/60/551512060.db2.gz BUXYMXXKEALSDO-DGCLKSJQSA-N 1 0 393.336 2.680 10 0 GFAERO Cn1cc(NC(=O)NCCC[NH+]2CCCCCC2)cc(Br)c1=O ZINC000156079210 551514364 /nfs/dbraw/zinc/51/43/64/551514364.db2.gz MYHRVNQWSHHUME-UHFFFAOYSA-N 1 0 385.306 2.535 10 0 GFAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(Br)ccc2Br)C1 ZINC000160544340 551582141 /nfs/dbraw/zinc/58/21/41/551582141.db2.gz NKJOQONHXPQSPC-SNVBAGLBSA-N 1 0 376.092 2.988 10 0 GFAERO Cc1c(Br)cccc1NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000170702860 551638094 /nfs/dbraw/zinc/63/80/94/551638094.db2.gz XUAUXIKBCWQDSX-CYBMUJFWSA-N 1 0 384.318 2.789 10 0 GFAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000170866834 551641570 /nfs/dbraw/zinc/64/15/70/551641570.db2.gz NDJXQDZPCRCIMV-CJNGLKHVSA-N 1 0 384.307 2.761 10 0 GFAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000170866812 551641930 /nfs/dbraw/zinc/64/19/30/551641930.db2.gz KXJLVALJCUVQDC-CJNGLKHVSA-N 1 0 384.307 2.761 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000172621533 551683587 /nfs/dbraw/zinc/68/35/87/551683587.db2.gz ZOHPALJZGRJSGP-KGLIPLIRSA-N 1 0 384.307 2.947 10 0 GFAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000174744398 552109381 /nfs/dbraw/zinc/10/93/81/552109381.db2.gz RHCAGIBKASALLX-LBPRGKRZSA-N 1 0 388.281 2.619 10 0 GFAERO C[C@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000175754196 552128159 /nfs/dbraw/zinc/12/81/59/552128159.db2.gz NLKHVSQNWYBBQY-LSDHHAIUSA-N 1 0 396.329 2.874 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)CCS(=O)(=O)c1cccc(Br)c1 ZINC000175788533 552129139 /nfs/dbraw/zinc/12/91/39/552129139.db2.gz IEEZMEGDQDEMMH-HNNXBMFYSA-N 1 0 389.359 2.639 10 0 GFAERO COc1nc(N2CC[C@@H](CNc3cccc(C)[nH+]3)C2)ncc1Br ZINC000176240679 552137135 /nfs/dbraw/zinc/13/71/35/552137135.db2.gz BMCVRSXKEUYFRV-LBPRGKRZSA-N 1 0 378.274 2.890 10 0 GFAERO COc1ccc(Br)c(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000176862524 552147638 /nfs/dbraw/zinc/14/76/38/552147638.db2.gz UNERWQPYURBPGH-ZDUSSCGKSA-N 1 0 399.329 2.623 10 0 GFAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Cc2ccccc2Br)CC1 ZINC000176867836 552147821 /nfs/dbraw/zinc/14/78/21/552147821.db2.gz XHNDUBZLJKHFEJ-AWEZNQCLSA-N 1 0 383.330 2.543 10 0 GFAERO CC[C@H]1CN(C(=O)Nc2ccc(Br)nc2C)CC[N@@H+]1CCOC ZINC000181358191 552253968 /nfs/dbraw/zinc/25/39/68/552253968.db2.gz GVJBSNVJNHIOGV-ZDUSSCGKSA-N 1 0 385.306 2.727 10 0 GFAERO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000181414423 552255816 /nfs/dbraw/zinc/25/58/16/552255816.db2.gz DFZICZOKVARQBE-LBPRGKRZSA-N 1 0 381.885 2.585 10 0 GFAERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(Cc3ncc(Cl)cc3Cl)CC2)C1 ZINC000182236145 552278767 /nfs/dbraw/zinc/27/87/67/552278767.db2.gz RIUCNMCRVKGLOD-INIZCTEOSA-N 1 0 387.355 2.615 10 0 GFAERO COC(=O)[C@@H](CC(C)C)NC(=O)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000182578196 552287604 /nfs/dbraw/zinc/28/76/04/552287604.db2.gz OOGXZTJUVCLRES-IUODEOHRSA-N 1 0 385.302 2.804 10 0 GFAERO C[C@@H]([NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000183029267 552298439 /nfs/dbraw/zinc/29/84/39/552298439.db2.gz OJOYPEPHEPQLKH-KGLIPLIRSA-N 1 0 398.575 2.676 10 0 GFAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000183015868 552298763 /nfs/dbraw/zinc/29/87/63/552298763.db2.gz KPKIUDGSVMDSFF-VHSXEESVSA-N 1 0 387.914 2.727 10 0 GFAERO C[NH+](C)C[C@@H]1CN(Cc2ccc(OC(F)F)c(Br)c2)CCO1 ZINC000183399971 552308539 /nfs/dbraw/zinc/30/85/39/552308539.db2.gz HPSJSLGPOJDMEC-GFCCVEGCSA-N 1 0 379.245 2.813 10 0 GFAERO C[C@H]1C[N@H+](CCOc2cc(F)cc(Br)c2)C[C@@H]1N1CCOCC1 ZINC000189095043 552462892 /nfs/dbraw/zinc/46/28/92/552462892.db2.gz MFUYKUBBSFGRBD-GUYCJALGSA-N 1 0 387.293 2.620 10 0 GFAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000194501393 553022524 /nfs/dbraw/zinc/02/25/24/553022524.db2.gz DRKHVXONLKQOOL-HNNXBMFYSA-N 1 0 399.333 2.663 10 0 GFAERO NC(=O)c1cc2c(s1)c(N1CCC(CC[NH3+])CC1)ncc2Br ZINC000224970761 553058002 /nfs/dbraw/zinc/05/80/02/553058002.db2.gz UUNPPPIICQMGNB-UHFFFAOYSA-N 1 0 383.315 2.723 10 0 GFAERO Cc1cc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)sc1Br ZINC000227440621 553062625 /nfs/dbraw/zinc/06/26/25/553062625.db2.gz RIJDXUKYTHIMQT-GHMZBOCLSA-N 1 0 379.345 2.676 10 0 GFAERO CC[C@@H]1CN(C(=O)[C@@H](C)Cc2ccc(Br)cc2)CC[N@@H+]1C[C@H](C)O ZINC000245689960 553095750 /nfs/dbraw/zinc/09/57/50/553095750.db2.gz ABDAIOCIJLVJJG-RLFYNMQTSA-N 1 0 397.357 2.931 10 0 GFAERO CC[C@@H]1C[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)CCN1CC(F)F ZINC000245758733 553096858 /nfs/dbraw/zinc/09/68/58/553096858.db2.gz PNXAJLBDJXSRSX-IAGOWNOFSA-N 1 0 376.875 2.879 10 0 GFAERO Cc1cccc(S(=O)(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1Br ZINC000246317570 553105601 /nfs/dbraw/zinc/10/56/01/553105601.db2.gz RZZZCJUTXQPDEI-CHWSQXEVSA-N 1 0 375.332 2.765 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(Cc2cc(Br)cc3cccnc32)C[C@H]1C ZINC000246394263 553106938 /nfs/dbraw/zinc/10/69/38/553106938.db2.gz IHSGEGXWOWAYRE-KGLIPLIRSA-N 1 0 378.314 2.884 10 0 GFAERO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246580061 553110349 /nfs/dbraw/zinc/11/03/49/553110349.db2.gz YCVVYEWPWIRYQG-DOMZBBRYSA-N 1 0 382.302 2.541 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(C(=O)CCCc2ccc(Br)s2)C[C@H]1C ZINC000246810207 553113751 /nfs/dbraw/zinc/11/37/51/553113751.db2.gz RWIQXJUKJJMCLZ-OLZOCXBDSA-N 1 0 389.359 2.747 10 0 GFAERO CC[C@@H]1CN(C(=O)CCc2cc(Br)cs2)CC[N@@H+]1C[C@H](C)O ZINC000246930052 553115514 /nfs/dbraw/zinc/11/55/14/553115514.db2.gz RFUMWNFTKFMMTP-GXTWGEPZSA-N 1 0 389.359 2.747 10 0 GFAERO Cc1cccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1I ZINC000247468617 553122771 /nfs/dbraw/zinc/12/27/71/553122771.db2.gz RMOPHCQMFAAGFZ-OLZOCXBDSA-N 1 0 384.261 2.908 10 0 GFAERO CCOCCN1CCN([C@H](C)C(=O)Nc2cccc(Br)c2)C[C@@H]1C ZINC000247568918 553124088 /nfs/dbraw/zinc/12/40/88/553124088.db2.gz GYFBOGIWJCYXJW-LSDHHAIUSA-N 1 0 398.345 2.819 10 0 GFAERO CC[C@H]1CN(C(=O)NCc2cc(Br)ccc2C)CC[N@@H+]1C[C@H](C)O ZINC000249111536 553139797 /nfs/dbraw/zinc/13/97/97/553139797.db2.gz ARPZAOHSZJZAPQ-YOEHRIQHSA-N 1 0 398.345 2.744 10 0 GFAERO COc1cc(Br)ccc1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000251999998 553149002 /nfs/dbraw/zinc/14/90/02/553149002.db2.gz WIVOIPYNSKNDLD-WFASDCNBSA-N 1 0 382.302 2.836 10 0 GFAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@H](Sc1ccccc1Cl)c1ccccc1 ZINC000262403599 553170255 /nfs/dbraw/zinc/17/02/55/553170255.db2.gz YUPUIRQUCNMAEW-YXJHDRRASA-N 1 0 376.909 2.870 10 0 GFAERO COC[C@@H]([NH3+])C(=O)N[C@](C)(Cc1cccc(Br)c1)c1ccccc1 ZINC000262515013 553172133 /nfs/dbraw/zinc/17/21/33/553172133.db2.gz KCNSDFOKOGOJKN-IEBWSBKVSA-N 1 0 391.309 2.997 10 0 GFAERO CCOCC[N@@H+]1CCN(c2ccnc3cc(Br)cnc32)C[C@H]1C ZINC000302254332 563424211 /nfs/dbraw/zinc/42/42/11/563424211.db2.gz YDOPXWQXIZAZOL-CYBMUJFWSA-N 1 0 379.302 2.939 10 0 GFAERO [NH3+]C[C@@H](NC(=O)c1scc(Br)c1Br)C(F)(F)F ZINC000638398203 565194768 /nfs/dbraw/zinc/19/47/68/565194768.db2.gz PYJATQOJZHFMHQ-SCSAIBSYSA-N 1 0 396.026 2.893 10 0 GFAERO COC1(c2nc(-c3cnccn3)no2)CC[NH+](CCOc2ccccc2F)CC1 ZINC000583615939 570800932 /nfs/dbraw/zinc/80/09/32/570800932.db2.gz SQCDUFVLYJYFSD-UHFFFAOYSA-N 1 0 399.426 2.682 10 0 GFAERO Cc1cc2nc(C)c(=O)n(CC(=O)NCCC[N@H+]3CCC[C@H](C)C3)c2cc1C ZINC000033254822 570861778 /nfs/dbraw/zinc/86/17/78/570861778.db2.gz BLJQVSHKJGLTCH-HNNXBMFYSA-N 1 0 384.524 2.560 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1cccc(I)c1 ZINC000123044587 654751260 /nfs/dbraw/zinc/75/12/60/654751260.db2.gz PGVYQTDPKNGXJW-SWLSCSKDSA-N 1 0 384.261 2.529 10 0 GFAERO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000071193011 654999800 /nfs/dbraw/zinc/99/98/00/654999800.db2.gz SXOJYIGBDNDNMG-JTQLQIEISA-N 1 0 381.723 2.675 10 0 GFAERO C[N@H+](C[C@H](O)c1cccc(Br)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106078243 655102006 /nfs/dbraw/zinc/10/20/06/655102006.db2.gz XGLVVYICTYYNAB-SJORKVTESA-N 1 0 391.313 2.873 10 0 GFAERO CC[C@@H]1CN(CCC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000106102085 655102560 /nfs/dbraw/zinc/10/25/60/655102560.db2.gz FUKDASUHRDCIRA-RHSMWYFYSA-N 1 0 398.345 2.555 10 0 GFAERO CC[C@@H]1CN(CC(=O)Nc2ccc(C)cc2Br)CC[N@@H+]1CCOC ZINC000106115717 655103536 /nfs/dbraw/zinc/10/35/36/655103536.db2.gz XWKSLKQVMRDOEB-OAHLLOKOSA-N 1 0 398.345 2.739 10 0 GFAERO C[C@@H](NC(=O)NCC1([NH+](C)C)CCOCC1)c1ccccc1Br ZINC000114016877 655217399 /nfs/dbraw/zinc/21/73/99/655217399.db2.gz FQHMXNNVGPVNOB-CYBMUJFWSA-N 1 0 384.318 2.920 10 0 GFAERO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000176298398 655243587 /nfs/dbraw/zinc/24/35/87/655243587.db2.gz INPUNAQPFZKFRC-OAHLLOKOSA-N 1 0 389.297 2.863 10 0 GFAERO Cc1cc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c2cc(Br)ccc2n1 ZINC000116793125 655253512 /nfs/dbraw/zinc/25/35/12/655253512.db2.gz PFHFCOZLHIXYFK-CQSZACIVSA-N 1 0 392.297 2.708 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)NCCCOc2ccc(Cl)cc2Cl)CCO1 ZINC000117040478 655258756 /nfs/dbraw/zinc/25/87/56/655258756.db2.gz HAXFVLVEQIGJSA-AWEZNQCLSA-N 1 0 390.311 2.734 10 0 GFAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc(Br)cc2F)CC1 ZINC000176887199 655258909 /nfs/dbraw/zinc/25/89/09/655258909.db2.gz XSYPFXDZMHEHEJ-GFCCVEGCSA-N 1 0 387.293 2.753 10 0 GFAERO CN(Cc1cc(Br)cs1)C(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177772779 655288428 /nfs/dbraw/zinc/28/84/28/655288428.db2.gz QRRTXXAQPNVLDQ-CQSZACIVSA-N 1 0 386.359 2.639 10 0 GFAERO COc1ccc(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1Br ZINC000119217616 655293462 /nfs/dbraw/zinc/29/34/62/655293462.db2.gz NLSSLUWVYLFPOC-WFASDCNBSA-N 1 0 384.318 2.986 10 0 GFAERO C[NH2+][C@H](C)CNC(=O)c1c(C)nn(Cc2cccc(Br)c2)c1C ZINC000261643247 655441593 /nfs/dbraw/zinc/44/15/93/655441593.db2.gz DKEHLZIJVPOYII-LLVKDONJSA-N 1 0 379.302 2.648 10 0 GFAERO [NH3+]C1(C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)CCOCC1 ZINC000261855560 655442682 /nfs/dbraw/zinc/44/26/82/655442682.db2.gz MTNLNOQQLKJVDY-UHFFFAOYSA-N 1 0 396.310 2.943 10 0 GFAERO Cc1ccc(NC(=O)C[NH2+]CCCO)cc1Nc1nccc(-c2cccnc2)n1 ZINC000091361930 230959934 /nfs/dbraw/zinc/95/99/34/230959934.db2.gz FPXQHBAFKDNYRK-UHFFFAOYSA-N 1 0 392.463 2.501 10 0 GFAERO O=C(C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NCC1CC1 ZINC000013594180 221275415 /nfs/dbraw/zinc/27/54/15/221275415.db2.gz QBIPYIGHVBAPQP-NRFANRHFSA-N 1 0 377.488 2.570 10 0 GFAERO Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([N@H+](C)CCc1ccccn1)C2 ZINC000014747431 221316458 /nfs/dbraw/zinc/31/64/58/221316458.db2.gz IEGBKFAEDQQNQL-LJQANCHMSA-N 1 0 395.551 2.863 10 0 GFAERO O=C(NCCc1ccccn1)c1ccc(N2CC[NH2+][C@H](c3ccccc3)C2)nc1 ZINC000065256100 136162144 /nfs/dbraw/zinc/16/21/44/136162144.db2.gz FTXAWGSMNLSFDE-NRFANRHFSA-N 1 0 387.487 2.600 10 0 GFAERO Cc1nc(CC[NH2+]C2CCN(c3cc(=O)[nH]c(C(C)C)n3)CC2)sc1C ZINC000095503750 136180191 /nfs/dbraw/zinc/18/01/91/136180191.db2.gz MUPDORAOWPRQPM-UHFFFAOYSA-N 1 0 375.542 2.768 10 0 GFAERO CN(C)c1cn[nH+]c(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1 ZINC000224308234 136206646 /nfs/dbraw/zinc/20/66/46/136206646.db2.gz MJLUBZYVWAIUHY-UHFFFAOYSA-N 1 0 380.279 2.812 10 0 GFAERO C[C@H](CNC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C[NH+]1CCCCC1 ZINC000057042523 222028905 /nfs/dbraw/zinc/02/89/05/222028905.db2.gz PDIXLBSMHNNYNW-CVEARBPZSA-N 1 0 381.542 2.572 10 0 GFAERO CCOC(=O)c1ccc(S(=O)(=O)N2CC[NH+](C3CCCCCC3)CC2)cc1 ZINC000095921885 222361228 /nfs/dbraw/zinc/36/12/28/222361228.db2.gz UCJWFNFSQSYDQP-UHFFFAOYSA-N 1 0 394.537 2.892 10 0 GFAERO COCc1cc(C[C@@H]2CC[C@H](O)[C@@H](C[NH2+]Cc3ccccc3Cl)O2)no1 ZINC000096268975 222406539 /nfs/dbraw/zinc/40/65/39/222406539.db2.gz SVWDSJBUCICJST-ZYSHUDEJSA-N 1 0 380.872 2.715 10 0 GFAERO CC[C@@H]1CN(C(=O)NCc2ccc(Br)cc2)CC[N@@H+]1CCOC ZINC000117493915 551213794 /nfs/dbraw/zinc/21/37/94/551213794.db2.gz GGJNWOLIRNBRTL-MRXNPFEDSA-N 1 0 384.318 2.701 10 0 GFAERO Cc1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c(Br)c1 ZINC000150788131 551401592 /nfs/dbraw/zinc/40/15/92/551401592.db2.gz RSDYSEPJWOOPQT-WFASDCNBSA-N 1 0 382.302 2.541 10 0 GFAERO COc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CO)ccc1S(=O)(=O)C(F)F ZINC000153786512 551460428 /nfs/dbraw/zinc/46/04/28/551460428.db2.gz JBZWMXRLHWRRDS-IACUBPJLSA-N 1 0 377.453 2.893 10 0 GFAERO O=S(=O)(NC[C@@H](O)C[NH+]1CCCCC1)c1cc2cc(Cl)ccc2s1 ZINC000158980444 551559754 /nfs/dbraw/zinc/55/97/54/551559754.db2.gz FEMDRXASMQJKDL-CQSZACIVSA-N 1 0 388.942 2.680 10 0 GFAERO CC[C@@H](O)C[NH+]1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000163426342 551619731 /nfs/dbraw/zinc/61/97/31/551619731.db2.gz DMPRZYOCIVWPMF-QGZVFWFLSA-N 1 0 378.314 2.886 10 0 GFAERO O=C(NCC1(c2cccc(Br)c2)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000172155147 551672075 /nfs/dbraw/zinc/67/20/75/551672075.db2.gz MPLMSPYCVWZTMI-INIZCTEOSA-N 1 0 378.314 2.970 10 0 GFAERO CC[C@H]1CN(C(=O)NCc2sccc2Br)CC[N@@H+]1CCOC ZINC000172331902 551676482 /nfs/dbraw/zinc/67/64/82/551676482.db2.gz DLBHDKCNVCKKIW-LBPRGKRZSA-N 1 0 390.347 2.763 10 0 GFAERO CC[C@H]1CN(C(=O)Cc2cc(Br)ccc2OC)CC[N@@H+]1CCOC ZINC000173807219 552092481 /nfs/dbraw/zinc/09/24/81/552092481.db2.gz ZJDJVRIERRCNQB-INIZCTEOSA-N 1 0 399.329 2.569 10 0 GFAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000174433085 552104098 /nfs/dbraw/zinc/10/40/98/552104098.db2.gz LPPTUYMAHZWUNY-QMMMGPOBSA-N 1 0 395.191 2.737 10 0 GFAERO C[C@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1Br ZINC000175569165 552125071 /nfs/dbraw/zinc/12/50/71/552125071.db2.gz AVGJTTZQNRFOJK-GJZGRUSLSA-N 1 0 396.329 2.874 10 0 GFAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(I)c(Cl)c2)C1 ZINC000176205964 552136705 /nfs/dbraw/zinc/13/67/05/552136705.db2.gz ZMZOIQNRWKBMGH-SNVBAGLBSA-N 1 0 378.641 2.721 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000177310260 552152808 /nfs/dbraw/zinc/15/28/08/552152808.db2.gz IOZNYKSYCZXTAP-ABAIWWIYSA-N 1 0 387.311 2.960 10 0 GFAERO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000178319412 552169067 /nfs/dbraw/zinc/16/90/67/552169067.db2.gz LXXXWWWDUHDSHH-SJORKVTESA-N 1 0 394.313 2.858 10 0 GFAERO C[C@@H]1C[N@H+](CC2=Cc3cc(Br)ccc3OC2)C[C@@H]1N1CCOCC1 ZINC000180233159 552218674 /nfs/dbraw/zinc/21/86/74/552218674.db2.gz NPGMHAKEJLIYQA-KDOFPFPSSA-N 1 0 393.325 2.877 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2cc(F)c(Br)cc2F)CCO1 ZINC000181281947 552252466 /nfs/dbraw/zinc/25/24/66/552252466.db2.gz XGRQBRDUGQBPCJ-SECBINFHSA-N 1 0 378.217 2.522 10 0 GFAERO COC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000182578131 552287497 /nfs/dbraw/zinc/28/74/97/552287497.db2.gz OOGXZTJUVCLRES-WFASDCNBSA-N 1 0 385.302 2.804 10 0 GFAERO C[C@@H](NC(=O)C[NH2+][C@H](C)c1cccc(Br)c1)C(=O)N1CCCCC1 ZINC000182579962 552288565 /nfs/dbraw/zinc/28/85/65/552288565.db2.gz GWUBRROKWOEPTB-ZIAGYGMSSA-N 1 0 396.329 2.617 10 0 GFAERO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000182990228 552298141 /nfs/dbraw/zinc/29/81/41/552298141.db2.gz HWLQSDKPSIFHAN-JTQLQIEISA-N 1 0 387.914 2.647 10 0 GFAERO C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)[C@@H]1CCCO1 ZINC000183091593 552300608 /nfs/dbraw/zinc/30/06/08/552300608.db2.gz VTAMAAHCGFTOGO-JKOKRWQUSA-N 1 0 378.694 2.999 10 0 GFAERO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](c1ccc(Br)cc1)c1cncnc1)CC2 ZINC000186165824 552380544 /nfs/dbraw/zinc/38/05/44/552380544.db2.gz BOISDVBYUYSVFW-FUHWJXTLSA-N 1 0 399.296 2.833 10 0 GFAERO CCO[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)C12CCOCC2 ZINC000186289144 552383717 /nfs/dbraw/zinc/38/37/17/552383717.db2.gz GXMVMVSLOIILRR-IRXDYDNUSA-N 1 0 387.929 2.678 10 0 GFAERO O=C(c1ncc(Br)cc1Br)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000186304978 552384333 /nfs/dbraw/zinc/38/43/33/552384333.db2.gz PJTVELTXOHTDES-JTQLQIEISA-N 1 0 389.091 2.527 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000186765669 552397121 /nfs/dbraw/zinc/39/71/21/552397121.db2.gz SWDKJLLBZWYJAD-CYBMUJFWSA-N 1 0 393.289 2.636 10 0 GFAERO Cc1cnc(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c(Br)c1 ZINC000191010900 552516296 /nfs/dbraw/zinc/51/62/96/552516296.db2.gz ZLIKBUFDSAPOEN-INIZCTEOSA-N 1 0 376.298 2.984 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1ccc(I)cc1 ZINC000192053000 552547872 /nfs/dbraw/zinc/54/78/72/552547872.db2.gz NCBGFMZNTNFFJF-HNNXBMFYSA-N 1 0 386.277 2.776 10 0 GFAERO CCCC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000245200298 553089327 /nfs/dbraw/zinc/08/93/27/553089327.db2.gz JKZBEKFESCBCGW-JKSUJKDBSA-N 1 0 399.329 2.570 10 0 GFAERO CC[C@@H]1CN(C(=O)[C@H](C)Cc2ccc(Br)cc2)CC[N@@H+]1C[C@H](C)O ZINC000245689967 553095427 /nfs/dbraw/zinc/09/54/27/553095427.db2.gz ABDAIOCIJLVJJG-RVKKMQEKSA-N 1 0 397.357 2.931 10 0 GFAERO C[C@H]1C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C[C@H]1N1CCOCC1 ZINC000246385255 553107185 /nfs/dbraw/zinc/10/71/85/553107185.db2.gz ILBAYXOPBCRIBL-XJKSGUPXSA-N 1 0 386.323 2.975 10 0 GFAERO OC[C@@H]1c2ccccc2CC[N@H+]1C[C@@H](O)COc1cccc(Br)c1 ZINC000246367917 553107235 /nfs/dbraw/zinc/10/72/35/553107235.db2.gz LCVZNWWMOZWEPN-VQIMIIECSA-N 1 0 392.293 2.781 10 0 GFAERO C[C@H]1CN([C@H](CNC(=O)N(C)Cc2nccs2)c2cccs2)CCO1 ZINC000248334281 553128198 /nfs/dbraw/zinc/12/81/98/553128198.db2.gz GBLUTAKEHPJDBI-UONOGXRCSA-N 1 0 380.539 2.808 10 0 GFAERO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OCC3CCC3)C[C@@H]12 ZINC000249611739 553145096 /nfs/dbraw/zinc/14/50/96/553145096.db2.gz SEOWAEBWWBVBNB-FVQBIDKESA-N 1 0 384.929 2.877 10 0 GFAERO COc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261618123 553154404 /nfs/dbraw/zinc/15/44/04/553154404.db2.gz CXLZBYSLCQHZOP-ZBFHGGJFSA-N 1 0 380.897 2.712 10 0 GFAERO COc1cc(Br)c(CN[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1OC ZINC000261912109 553162180 /nfs/dbraw/zinc/16/21/80/553162180.db2.gz JDHCDNBAQQHOFC-BMFZPTHFSA-N 1 0 399.329 2.713 10 0 GFAERO COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc(Br)c1OC ZINC000262019127 553164623 /nfs/dbraw/zinc/16/46/23/553164623.db2.gz WJQKVCYFWXJAAG-BMFZPTHFSA-N 1 0 399.329 2.713 10 0 GFAERO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C[C@H]1[NH+](C)C ZINC000300186907 563391433 /nfs/dbraw/zinc/39/14/33/563391433.db2.gz LUDGFDRKFIQXQZ-TVQRCGJNSA-N 1 0 381.723 2.673 10 0 GFAERO C[C@H](C(=O)NCC[NH+]1CCCCC1)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944801 570299343 /nfs/dbraw/zinc/29/93/43/570299343.db2.gz ORHYPDQLQUMQOU-CYBMUJFWSA-N 1 0 396.413 2.578 10 0 GFAERO COc1ccc(S(=O)(=O)N2CCC(C[N@@H+]3CCC[C@@H](C)C3)CC2)cc1OC ZINC000032951990 570428302 /nfs/dbraw/zinc/42/83/02/570428302.db2.gz VLRBHRUSEKAOAK-MRXNPFEDSA-N 1 0 396.553 2.836 10 0 GFAERO CC[C@H](O)C[NH2+][C@H](c1nc(-c2cc(OC)c(OC)c(OC)c2)no1)C(C)C ZINC000036160566 570555928 /nfs/dbraw/zinc/55/59/28/570555928.db2.gz QKGSKTPJTDQHFG-BBRMVZONSA-N 1 0 379.457 2.820 10 0 GFAERO CCCc1ncc(C[NH2+][C@H]2CCCc3nc(N4CCC(CO)CC4)ncc32)cn1 ZINC000015071819 570723748 /nfs/dbraw/zinc/72/37/48/570723748.db2.gz AUDGYNFYSPTGSN-IBGZPJMESA-N 1 0 396.539 2.595 10 0 GFAERO COc1ccccc1C[NH+]1CCC(OC)(c2nc(-c3cnccn3)no2)CC1 ZINC000583615986 570801537 /nfs/dbraw/zinc/80/15/37/570801537.db2.gz ZTYOYAUQUIJHOH-UHFFFAOYSA-N 1 0 381.436 2.673 10 0 GFAERO Cn1cc([C@@H]2CCC[N@@H+]2Cn2nc(Br)c(=O)c3ccccc32)cn1 ZINC000124126092 654771095 /nfs/dbraw/zinc/77/10/95/654771095.db2.gz NLYVVIBCFNFNDF-AWEZNQCLSA-N 1 0 388.269 2.687 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccccc1I ZINC000125418171 654794072 /nfs/dbraw/zinc/79/40/72/654794072.db2.gz CSYIVSBLSYQCOX-HUUCEWRRSA-N 1 0 398.288 2.919 10 0 GFAERO COc1cc(C[NH2+][C@H](C)[C@H]2CCCO2)cc(I)c1OC ZINC000068840007 654968717 /nfs/dbraw/zinc/96/87/17/654968717.db2.gz ISDKWURLMBEDFB-ZWNOBZJWSA-N 1 0 391.249 2.966 10 0 GFAERO Brc1cc2c(cc1C[N@@H+]1CCC[C@@H](Cn3cncn3)C1)OCCO2 ZINC000106175852 655104475 /nfs/dbraw/zinc/10/44/75/655104475.db2.gz XRAOHHQSCGMQJR-CYBMUJFWSA-N 1 0 393.285 2.724 10 0 GFAERO O=C(CC[N@@H+]1CCC[C@@H](n2cncn2)C1)Nc1ccc(Br)cc1 ZINC000106218200 655105020 /nfs/dbraw/zinc/10/50/20/655105020.db2.gz PZQMTCIXUKZACH-OAHLLOKOSA-N 1 0 378.274 2.706 10 0 GFAERO CN(C(=O)c1cccc(Br)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000109291898 655144371 /nfs/dbraw/zinc/14/43/71/655144371.db2.gz AGLBQLJPFUGATE-UHFFFAOYSA-N 1 0 391.313 2.882 10 0 GFAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000112548417 655193340 /nfs/dbraw/zinc/19/33/40/655193340.db2.gz HPJMASYMRPBYBJ-PWSUYJOCSA-N 1 0 379.810 2.606 10 0 GFAERO CSc1ccsc1C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114413731 655223523 /nfs/dbraw/zinc/22/35/23/655223523.db2.gz KUCWWPSRUBBSQQ-UHFFFAOYSA-N 1 0 376.551 2.889 10 0 GFAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000176447801 655245705 /nfs/dbraw/zinc/24/57/05/655245705.db2.gz IKNDXNJHPPLCRH-ZDUSSCGKSA-N 1 0 389.323 2.923 10 0 GFAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2cc(Br)cs2)CC1 ZINC000176453864 655246132 /nfs/dbraw/zinc/24/61/32/655246132.db2.gz QEOKUUSWADCGDB-LLVKDONJSA-N 1 0 375.332 2.675 10 0 GFAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116783624 655253362 /nfs/dbraw/zinc/25/33/62/655253362.db2.gz ZKMWTGAZGHQNJO-CQSZACIVSA-N 1 0 394.313 2.501 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(Br)cc2Cl)CCO1 ZINC000118794375 655282305 /nfs/dbraw/zinc/28/23/05/655282305.db2.gz VKIWFSSSKSNRDU-LLVKDONJSA-N 1 0 376.682 2.897 10 0 GFAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CN1C(=S)N=NC1c1cccs1 ZINC000119345564 655299912 /nfs/dbraw/zinc/29/99/12/655299912.db2.gz HMVYXZFLNZZSCJ-CYBMUJFWSA-N 1 0 379.555 2.532 10 0 GFAERO COc1cc(Br)c(S(=O)(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1Cl ZINC000193454445 655410339 /nfs/dbraw/zinc/41/03/39/655410339.db2.gz YOOVPEGNSKPDCX-KCJUWKMLSA-N 1 0 397.722 2.530 10 0 GFAERO Cc1c(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cnn1-c1ccc(Br)cc1 ZINC000193493796 655410613 /nfs/dbraw/zinc/41/06/13/655410613.db2.gz YCAVJEAWSFZTLB-BZNIZROVSA-N 1 0 377.286 2.814 10 0 GFAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(Cl)c(I)c1 ZINC000193631001 655411424 /nfs/dbraw/zinc/41/14/24/655411424.db2.gz WXOWGEXAFYORET-PELKAZGASA-N 1 0 378.641 2.815 10 0 GFAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000248831985 655433455 /nfs/dbraw/zinc/43/34/55/655433455.db2.gz BTJHAVDAYIJSAX-IUIKQTSFSA-N 1 0 384.307 2.855 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C[NH2+]Cc2cccc(Br)c2)C1 ZINC000702781337 655521833 /nfs/dbraw/zinc/52/18/33/655521833.db2.gz PKYCZUWWHZUXRI-ZFWWWQNUSA-N 1 0 385.302 2.767 10 0 GFAERO CC[C@@H](C)n1ncn(-c2ccccc2N2CC[NH2+]C[C@H]2c2ccc(O)cc2)c1=O ZINC000245224502 212134927 /nfs/dbraw/zinc/13/49/27/212134927.db2.gz XNFBJDRHEJLNRV-IERDGZPVSA-N 1 0 393.491 2.862 10 0 GFAERO CC[C@H](C)n1ncn(-c2ccccc2N2CC[NH2+]C[C@H]2c2ccc(O)cc2)c1=O ZINC000245224503 212134384 /nfs/dbraw/zinc/13/43/84/212134384.db2.gz XNFBJDRHEJLNRV-KKSFZXQISA-N 1 0 393.491 2.862 10 0 GFAERO CNC(=O)c1ccc([C@@H]2CCCC[N@@H+]2C[C@H](O)COCc2cccs2)n1C ZINC000328629626 212087717 /nfs/dbraw/zinc/08/77/17/212087717.db2.gz IKPWLQGGXKCJTO-YJBOKZPZSA-N 1 0 391.537 2.551 10 0 GFAERO Cc1ccc([C@H](C)CC[N@H+](C)CCn2cc(C(=O)NCc3ccncc3)nn2)o1 ZINC000011913185 221136540 /nfs/dbraw/zinc/13/65/40/221136540.db2.gz DOTXEZPYRVCMAA-MRXNPFEDSA-N 1 0 396.495 2.630 10 0 GFAERO COc1cc(C[N@H+](CCCN2CCOCC2)Cc2cccnc2)cc(OC)c1 ZINC000013569040 221274491 /nfs/dbraw/zinc/27/44/91/221274491.db2.gz CIWJWQFIOWQNET-UHFFFAOYSA-N 1 0 385.508 2.823 10 0 GFAERO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CC1(O)CCCCC1)C2 ZINC000014743947 221315238 /nfs/dbraw/zinc/31/52/38/221315238.db2.gz QAISSAGJLZQREI-QGZVFWFLSA-N 1 0 388.556 2.671 10 0 GFAERO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([C@@H]2CC[N@H+](CC(C)(C)C)C2)CC1 ZINC000014948889 221319308 /nfs/dbraw/zinc/31/93/08/221319308.db2.gz XAAPWOVWGWTHQK-QGZVFWFLSA-N 1 0 382.574 2.795 10 0 GFAERO CC(=O)N1CCC([N@@H+]2CC[C@@]3(C2)CCCN(C(=O)OCC(C)(C)C)C3)CC1 ZINC000067514287 222148495 /nfs/dbraw/zinc/14/84/95/222148495.db2.gz TUEZVGODNIOWML-OAQYLSRUSA-N 1 0 379.545 2.968 10 0 GFAERO C[C@H](Nc1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cn1)c1cccnc1 ZINC000071759755 222194047 /nfs/dbraw/zinc/19/40/47/222194047.db2.gz BBRKZLAAHUFCSV-KRWDZBQOSA-N 1 0 395.507 2.587 10 0 GFAERO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116318763 551212009 /nfs/dbraw/zinc/21/20/09/551212009.db2.gz GNRWTNDETZMAAS-AWEZNQCLSA-N 1 0 391.313 2.631 10 0 GFAERO C[C@@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1ccccc1Br ZINC000119680449 551218421 /nfs/dbraw/zinc/21/84/21/551218421.db2.gz UZCHGUQREBXRAG-GFCCVEGCSA-N 1 0 399.310 2.826 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(OC)cc1I ZINC000121738852 551241617 /nfs/dbraw/zinc/24/16/17/551241617.db2.gz BIZBSFZCWBJQRK-NSHDSACASA-N 1 0 390.265 2.760 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc(C)c(Br)s1 ZINC000122134195 551294969 /nfs/dbraw/zinc/29/49/69/551294969.db2.gz ZFTZCTWIXXQBRM-NSHDSACASA-N 1 0 381.361 2.924 10 0 GFAERO C[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000125255666 551321441 /nfs/dbraw/zinc/32/14/41/551321441.db2.gz ODQAMJVORKISRF-VXGBXAGGSA-N 1 0 381.885 2.816 10 0 GFAERO CCOc1c(Br)cc(CN2CCO[C@H](C[NH+](C)C)C2)cc1OC ZINC000128106926 551346603 /nfs/dbraw/zinc/34/66/03/551346603.db2.gz YZXBQFOUYRUZQH-CQSZACIVSA-N 1 0 387.318 2.619 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(Br)c2)C1 ZINC000154932542 551486333 /nfs/dbraw/zinc/48/63/33/551486333.db2.gz IKISGTSEUWTAOB-NSHDSACASA-N 1 0 388.693 2.642 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000155215675 551494408 /nfs/dbraw/zinc/49/44/08/551494408.db2.gz RHDUVJNXNILACY-JTQLQIEISA-N 1 0 390.709 2.888 10 0 GFAERO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)N1CCO[C@H](C[NH+](C)C)C1 ZINC000155266724 551495825 /nfs/dbraw/zinc/49/58/25/551495825.db2.gz JLLYYKWTAIIVFN-GZBFAFLISA-N 1 0 388.339 2.822 10 0 GFAERO C[NH+](C)C[C@@H]1CN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CCO1 ZINC000155324321 551497478 /nfs/dbraw/zinc/49/74/78/551497478.db2.gz ASLGPRJTNBNHCA-LLVKDONJSA-N 1 0 380.703 2.848 10 0 GFAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(Br)cc3cccnc32)C[C@H]1C ZINC000162556339 551609774 /nfs/dbraw/zinc/60/97/74/551609774.db2.gz IHSGEGXWOWAYRE-ZIAGYGMSSA-N 1 0 378.314 2.884 10 0 GFAERO O=C(N[C@H]1CCN(c2ccccc2Br)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171781713 551663135 /nfs/dbraw/zinc/66/31/35/551663135.db2.gz CKUAXDQIXXFTCZ-LSDHHAIUSA-N 1 0 393.329 2.517 10 0 GFAERO O=C(CCC[S@](=O)c1ccc(Br)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171867270 551665456 /nfs/dbraw/zinc/66/54/56/551665456.db2.gz AZLNYLSENSHXKU-CMJOXMDJSA-N 1 0 399.354 2.644 10 0 GFAERO O=C(CCC[S@@](=O)c1ccc(Br)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171867272 551665563 /nfs/dbraw/zinc/66/55/63/551665563.db2.gz AZLNYLSENSHXKU-IQMFZBJNSA-N 1 0 399.354 2.644 10 0 GFAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cc(Br)cs3)C2=O)n(C)n1 ZINC000173850367 552094056 /nfs/dbraw/zinc/09/40/56/552094056.db2.gz PFVPQEMNJZYYFO-CYBMUJFWSA-N 1 0 383.315 2.838 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000175397136 552120547 /nfs/dbraw/zinc/12/05/47/552120547.db2.gz CMSGLOCGFYRGMC-LBPRGKRZSA-N 1 0 391.331 2.563 10 0 GFAERO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COc1cccc(Br)c1 ZINC000177350576 552153725 /nfs/dbraw/zinc/15/37/25/552153725.db2.gz PQAHCVQTKMTRHS-IKGGRYGDSA-N 1 0 383.330 2.747 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000177708096 552156930 /nfs/dbraw/zinc/15/69/30/552156930.db2.gz YKFSUVBNKBAYNQ-AWEZNQCLSA-N 1 0 388.375 2.885 10 0 GFAERO Brc1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c2ncccc12 ZINC000179943788 552207522 /nfs/dbraw/zinc/20/75/22/552207522.db2.gz FTGGRJJLRTUXAF-HNNXBMFYSA-N 1 0 376.298 2.904 10 0 GFAERO COc1ccc([C@@H](C)C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1 ZINC000182215078 552278459 /nfs/dbraw/zinc/27/84/59/552278459.db2.gz WRDLONXQEIRKER-ZDUSSCGKSA-N 1 0 376.469 2.653 10 0 GFAERO Cc1cc2cc(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)oc2c(Br)c1 ZINC000183621512 552315201 /nfs/dbraw/zinc/31/52/01/552315201.db2.gz PMSNKXAKARTCNN-ZDUSSCGKSA-N 1 0 381.270 2.906 10 0 GFAERO CC(C)(C)c1nc2ccc(S(=O)(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cc2s1 ZINC000184317677 552332574 /nfs/dbraw/zinc/33/25/74/552332574.db2.gz WDGYVSGCUNVICH-YUTCNCBUSA-N 1 0 379.551 2.952 10 0 GFAERO Cc1ccc(CCC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c(Br)c1 ZINC000185870010 552372661 /nfs/dbraw/zinc/37/26/61/552372661.db2.gz XENSQVMPWLEPDF-HUUCEWRRSA-N 1 0 383.330 2.604 10 0 GFAERO CC[C@H]1CN(C(=O)CCc2ccc(C)cc2Br)CC[N@@H+]1C[C@@H](C)O ZINC000185870356 552372685 /nfs/dbraw/zinc/37/26/85/552372685.db2.gz WDJPIBYXPXBIMH-WBVHZDCISA-N 1 0 397.357 2.994 10 0 GFAERO C[C@@H](C[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1)N1CCOCC1 ZINC000186096007 552378907 /nfs/dbraw/zinc/37/89/07/552378907.db2.gz XBUSANQGLRXKOH-KSSFIOAISA-N 1 0 391.313 2.639 10 0 GFAERO O=C1CCCN1C[C@H](O)C[NH+]1CCC(c2ccccc2Br)CC1 ZINC000189805445 552480293 /nfs/dbraw/zinc/48/02/93/552480293.db2.gz HGGHVVYADYQMFA-OAHLLOKOSA-N 1 0 381.314 2.612 10 0 GFAERO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000192208133 552556273 /nfs/dbraw/zinc/55/62/73/552556273.db2.gz UIMVHOQZHVZMJJ-SNVBAGLBSA-N 1 0 379.707 2.571 10 0 GFAERO Cc1ccc([C@@H](CNC(=O)N2CCS[C@@H](C)CC2)N2CCOCC2)s1 ZINC000192429129 552563092 /nfs/dbraw/zinc/56/30/92/552563092.db2.gz CDPDWOCWSBCFAY-GOEBONIOSA-N 1 0 383.583 2.967 10 0 GFAERO C[C@@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)c1ccc(S(C)(=O)=O)cc1 ZINC000192525053 552566365 /nfs/dbraw/zinc/56/63/65/552566365.db2.gz FIAJBKBBLMQTQS-GFCCVEGCSA-N 1 0 376.503 2.854 10 0 GFAERO Cc1cc(Cl)ccc1NC(=O)C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000192843978 552975549 /nfs/dbraw/zinc/97/55/49/552975549.db2.gz XYCQKGCDYQWOJW-GFCCVEGCSA-N 1 0 381.885 2.585 10 0 GFAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccccc2F)C1 ZINC000192932895 552978709 /nfs/dbraw/zinc/97/87/09/552978709.db2.gz XOUSPWMQHXHWOM-AWEZNQCLSA-N 1 0 383.514 2.733 10 0 GFAERO O=C([C@@H]1CNC(=O)C1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000194525375 553022904 /nfs/dbraw/zinc/02/29/04/553022904.db2.gz MDVFDHDDIVLWMG-AWEZNQCLSA-N 1 0 384.307 2.554 10 0 GFAERO CCOc1c(Br)cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000195310403 553045063 /nfs/dbraw/zinc/04/50/63/553045063.db2.gz RCFAGBXKSFZXPT-CYBMUJFWSA-N 1 0 383.286 2.777 10 0 GFAERO Cn1nccc1C1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000195502225 553051024 /nfs/dbraw/zinc/05/10/24/553051024.db2.gz VZFTWFIYKRELLR-INIZCTEOSA-N 1 0 394.313 2.802 10 0 GFAERO CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000234354891 553067081 /nfs/dbraw/zinc/06/70/81/553067081.db2.gz ZLGBSDXWEZJACT-SNVBAGLBSA-N 1 0 381.723 2.675 10 0 GFAERO Cn1cc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2cccc(Br)c2)cn1 ZINC000245858160 553098365 /nfs/dbraw/zinc/09/83/65/553098365.db2.gz PJBOIANJOBGGIQ-WBVHZDCISA-N 1 0 380.286 2.759 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(Cc2coc(-c3ccc(Br)cc3)n2)C[C@H]1C ZINC000246309554 553105924 /nfs/dbraw/zinc/10/59/24/553105924.db2.gz YCFXJYRESDOEIX-KGLIPLIRSA-N 1 0 394.313 2.991 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000246734889 553111865 /nfs/dbraw/zinc/11/18/65/553111865.db2.gz ASLVZINDOYVONH-WPGHFRTFSA-N 1 0 381.929 2.988 10 0 GFAERO CC[C@H]1CN(C(=O)C2(c3cccc(Br)c3)CC2)CC[N@@H+]1C[C@H](C)O ZINC000247009678 553117398 /nfs/dbraw/zinc/11/73/98/553117398.db2.gz WCZYGERPMNWQCC-YOEHRIQHSA-N 1 0 395.341 2.784 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(I)cc1 ZINC000247290398 553121056 /nfs/dbraw/zinc/12/10/56/553121056.db2.gz GWLUXYZYVUGOIY-FZMZJTMJSA-N 1 0 385.249 2.992 10 0 GFAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3)C[C@@H]12 ZINC000248588096 553131426 /nfs/dbraw/zinc/13/14/26/553131426.db2.gz GNZMLMUMODPLQR-HOJOPBEUSA-N 1 0 382.291 2.542 10 0 GFAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)C12CCOCC2 ZINC000248647401 553132640 /nfs/dbraw/zinc/13/26/40/553132640.db2.gz SUUFJQHJMKAUJB-ARFHVFGLSA-N 1 0 397.313 2.539 10 0 GFAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)COc1ccc(Br)cc1F ZINC000261662511 553155979 /nfs/dbraw/zinc/15/59/79/553155979.db2.gz ODIMJEODTJPKKA-RPBQFNSTSA-N 1 0 385.277 2.989 10 0 GFAERO Brc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)C1 ZINC000261984274 553164132 /nfs/dbraw/zinc/16/41/32/553164132.db2.gz RYSFKQLZPRZLQZ-CWLKWCNXSA-N 1 0 394.357 2.775 10 0 GFAERO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc(Br)c1OC ZINC000262019139 553164893 /nfs/dbraw/zinc/16/48/93/553164893.db2.gz WJQKVCYFWXJAAG-NUEKZKHPSA-N 1 0 399.329 2.713 10 0 GFAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H](Sc1ccccc1Cl)c1ccccc1 ZINC000262403593 553170408 /nfs/dbraw/zinc/17/04/08/553170408.db2.gz YUPUIRQUCNMAEW-LESCRADOSA-N 1 0 376.909 2.870 10 0 GFAERO COC[C@H]([NH3+])C(=O)N[C@@H](c1ccccc1)c1ccc(OC)c(Br)c1 ZINC000262564384 553172572 /nfs/dbraw/zinc/17/25/72/553172572.db2.gz RIPGHJBFJQEHNY-RDJZCZTQSA-N 1 0 393.281 2.637 10 0 GFAERO CNC(=O)[C@@H](c1ccc(OC)cc1)N1CCC[C@H]1C(=O)N(C)Cc1ccccc1 ZINC000225401544 560043657 /nfs/dbraw/zinc/04/36/57/560043657.db2.gz CVWRJQNZPRAUGY-LEWJYISDSA-N 1 0 395.503 2.605 10 0 GFAERO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Br)C[C@H]1[NH+](C)C ZINC000282364548 563408731 /nfs/dbraw/zinc/40/87/31/563408731.db2.gz UPUSLTMNCGAAPJ-BXKDBHETSA-N 1 0 381.723 2.673 10 0 GFAERO C[C@@H]1CN(C(=O)c2scc(Br)c2Br)C[C@H]1C[NH3+] ZINC000638906995 565217161 /nfs/dbraw/zinc/21/71/61/565217161.db2.gz WTNFAJVRUWBWAS-RNFRBKRXSA-N 1 0 382.121 2.940 10 0 GFAERO Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)cc1I ZINC000593901243 565366060 /nfs/dbraw/zinc/36/60/60/565366060.db2.gz CUHWSGLVKOLOLA-NXEZZACHSA-N 1 0 398.166 2.936 10 0 GFAERO Cc1cccc(C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c1I ZINC000596003836 565505594 /nfs/dbraw/zinc/50/55/94/565505594.db2.gz SVDWFXNNHBUQFD-SECBINFHSA-N 1 0 386.155 2.561 10 0 GFAERO COC(=O)c1cc(C)c2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NC(=O)OC(C)(C)C ZINC000725260763 570310686 /nfs/dbraw/zinc/31/06/86/570310686.db2.gz VVZMMLOFEMZSAB-VLIAUNLRSA-N 1 0 376.453 2.862 10 0 GFAERO COc1ccc(-c2nc(NCC[NH+]3CCCCC3)nc3nn(C)c(N)c32)c(F)c1 ZINC000035929151 570480218 /nfs/dbraw/zinc/48/02/18/570480218.db2.gz PVVAKGZOUNXVQL-UHFFFAOYSA-N 1 0 399.474 2.658 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C[C@@H](C1)[C@H]2[NH3+] ZINC000238855617 570679980 /nfs/dbraw/zinc/67/99/80/570679980.db2.gz SGHUIAHMXYQPIE-USTZCAOPSA-N 1 0 389.496 2.886 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2c(F)cc(Br)cc2F)CCO1 ZINC000136847581 655035814 /nfs/dbraw/zinc/03/58/14/655035814.db2.gz FUHCWZFNCDRPOZ-SNVBAGLBSA-N 1 0 378.217 2.522 10 0 GFAERO CC[C@H]1CN(CC(=O)Nc2ccc(Br)cc2C)CC[N@@H+]1CCOC ZINC000106116163 655103494 /nfs/dbraw/zinc/10/34/94/655103494.db2.gz LOYVMHGSIRDHCQ-INIZCTEOSA-N 1 0 398.345 2.739 10 0 GFAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1ccccc1Br ZINC000111799406 655177446 /nfs/dbraw/zinc/17/74/46/655177446.db2.gz OCORLCWUDWGEIH-KGLIPLIRSA-N 1 0 384.318 2.920 10 0 GFAERO CC[C@@H]1CN(C(=O)c2cc(Br)cn2C(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000174596511 655204746 /nfs/dbraw/zinc/20/47/46/655204746.db2.gz HAJPJYUUHZXFQO-UKRRQHHQSA-N 1 0 386.334 2.749 10 0 GFAERO CC[C@@H]1CN(C(=O)c2cc(Cl)ccc2OC(F)F)CC[N@@H+]1C[C@@H](C)O ZINC000176499832 655247885 /nfs/dbraw/zinc/24/78/85/655247885.db2.gz NHEJKASAQGBXTQ-DGCLKSJQSA-N 1 0 376.831 2.859 10 0 GFAERO CCN(CC)c1nc2sc(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)cc2s1 ZINC000116792954 655253718 /nfs/dbraw/zinc/25/37/18/655253718.db2.gz DAGHXZUUCHCCRT-LBPRGKRZSA-N 1 0 382.555 2.607 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccc(Br)c1C ZINC000176902450 655259994 /nfs/dbraw/zinc/25/99/94/655259994.db2.gz YNPDVDBKBOBTNA-CYBMUJFWSA-N 1 0 382.302 2.639 10 0 GFAERO [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000193290344 655409157 /nfs/dbraw/zinc/40/91/57/655409157.db2.gz XURLGUOCVKOCRH-RDDDGLTNSA-N 1 0 385.686 2.647 10 0 GFAERO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000193290367 655409165 /nfs/dbraw/zinc/40/91/65/655409165.db2.gz XURLGUOCVKOCRH-WRWORJQWSA-N 1 0 385.686 2.647 10 0 GFAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000193582817 655411113 /nfs/dbraw/zinc/41/11/13/655411113.db2.gz VOGJBLYMLQTRCF-XJKSGUPXSA-N 1 0 384.929 2.683 10 0 GFAERO [NH3+][C@H]1CC[C@H](C(=O)NCCSCCOc2cccc(Br)c2)C1 ZINC000237940364 655426837 /nfs/dbraw/zinc/42/68/37/655426837.db2.gz BPMCRXTWFDUESS-JSGCOSHPSA-N 1 0 387.343 2.805 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(C(=O)CCSc2nc3ccccc3s2)C[C@H]1C ZINC000246700661 655430414 /nfs/dbraw/zinc/43/04/14/655430414.db2.gz JZZRPOJKPBVFDL-KGLIPLIRSA-N 1 0 379.551 2.692 10 0 GFAERO CCOCC[N@@H+]1CCN(C[C@@H](O)c2ccc(F)c(Br)c2)C[C@H]1C ZINC000248426292 655432398 /nfs/dbraw/zinc/43/23/98/655432398.db2.gz MQQUIGTZSBDNFN-CXAGYDPISA-N 1 0 389.309 2.664 10 0 GFAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1csc(I)c1 ZINC000261671570 655441742 /nfs/dbraw/zinc/44/17/42/655441742.db2.gz PESJZQLESPONHP-DGQGSHBHSA-N 1 0 390.290 2.989 10 0 GFAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000262172462 655444326 /nfs/dbraw/zinc/44/43/26/655444326.db2.gz XJGNIYWBIGIHNZ-XHVZSJERSA-N 1 0 378.826 2.822 10 0 GFAERO C[C@@H]([NH3+])CCNC(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000262532465 655446095 /nfs/dbraw/zinc/44/60/95/655446095.db2.gz JOIHZKHVANATGB-SSDOTTSWSA-N 1 0 386.155 2.777 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]Cc2cccc(Br)c2)C1 ZINC000702781331 655521769 /nfs/dbraw/zinc/52/17/69/655521769.db2.gz PKYCZUWWHZUXRI-DZGCQCFKSA-N 1 0 385.302 2.767 10 0 GFAERO CCOc1ccc([C@@H]2[C@@H](C(=O)N3CC[NH2+]CC3)CC(=O)N2c2ccccc2)cc1 ZINC000005576324 212148231 /nfs/dbraw/zinc/14/82/31/212148231.db2.gz JXXZVQPCPRADNI-RBBKRZOGSA-N 1 0 393.487 2.611 10 0 GFAERO COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)cc1 ZINC000328625752 212085464 /nfs/dbraw/zinc/08/54/64/212085464.db2.gz KYXNLUUWBXECSW-FXCLAUTBSA-N 1 0 384.524 2.867 10 0 GFAERO O=C1NC(=O)[C@@](CCc2ccccc2)(C2CC[NH+](Cc3ccncc3)CC2)N1 ZINC000011880956 221134361 /nfs/dbraw/zinc/13/43/61/221134361.db2.gz FKWDZXSPVHPRAM-JOCHJYFZSA-N 1 0 378.476 2.505 10 0 GFAERO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH+]1CCSCC1)C2 ZINC000014743405 221315256 /nfs/dbraw/zinc/31/52/56/221315256.db2.gz UGNWLHWEZLVDHS-INIZCTEOSA-N 1 0 376.570 2.681 10 0 GFAERO CCn1nc(C(=O)NC)c2c1CC[C@H]([NH2+]Cc1cc(-c3ccccc3)on1)C2 ZINC000014745673 221315308 /nfs/dbraw/zinc/31/53/08/221315308.db2.gz UXFLGPYEMRQPNW-HNNXBMFYSA-N 1 0 379.464 2.565 10 0 GFAERO COCCNC(=O)c1cn(C2CC[NH+](C[C@@H](C)CCC=C(C)C)CC2)nn1 ZINC000014997930 221325936 /nfs/dbraw/zinc/32/59/36/221325936.db2.gz VGFLAEVDQOOTNO-KRWDZBQOSA-N 1 0 377.533 2.674 10 0 GFAERO C[NH+]1CCN(CCNC(=O)c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)CC1 ZINC000065229924 222112429 /nfs/dbraw/zinc/11/24/29/222112429.db2.gz UYBHTDSAPRBULV-UHFFFAOYSA-N 1 0 397.910 2.632 10 0 GFAERO C[C@@H]1CN(Cc2cccc(-c3nc(-c4ccncc4)cc(=O)[nH]3)c2)CC[N@@H+]1C ZINC000067788038 222160068 /nfs/dbraw/zinc/16/00/68/222160068.db2.gz NOSXFTOEBNSTCA-MRXNPFEDSA-N 1 0 375.476 2.635 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@H]2CC(NC(=O)OCc3ccccc3)C[C@@H](C1)C2[NH3+] ZINC000095882081 222361575 /nfs/dbraw/zinc/36/15/75/222361575.db2.gz SGHUIAHMXYQPIE-OQSMONGASA-N 1 0 389.496 2.886 10 0 GFAERO O=C(c1ccc(Cl)c(I)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000049516022 551159054 /nfs/dbraw/zinc/15/90/54/551159054.db2.gz KIVMAAUFCMPXNK-LLVKDONJSA-N 1 0 390.652 2.865 10 0 GFAERO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000125255416 551321029 /nfs/dbraw/zinc/32/10/29/551321029.db2.gz ODQAMJVORKISRF-NWDGAFQWSA-N 1 0 381.885 2.816 10 0 GFAERO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000150947161 551404433 /nfs/dbraw/zinc/40/44/33/551404433.db2.gz JOEVTKRNUFTCTI-JTQLQIEISA-N 1 0 377.794 2.755 10 0 GFAERO CC[C@@H]1C[N@H+](C[C@H](O)COCc2ccc(Cl)cc2)CCN1CC(F)F ZINC000153504927 551454430 /nfs/dbraw/zinc/45/44/30/551454430.db2.gz PNXAJLBDJXSRSX-SJORKVTESA-N 1 0 376.875 2.879 10 0 GFAERO O=C(CCc1ccc(Cl)s1)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000159148865 551561422 /nfs/dbraw/zinc/56/14/22/551561422.db2.gz CXODEIDRQXEHDB-INIZCTEOSA-N 1 0 378.925 2.870 10 0 GFAERO O[C@H](COc1cccc(Br)c1)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000171509622 551657653 /nfs/dbraw/zinc/65/76/53/551657653.db2.gz PGXNUDTZEAJXKJ-KRWDZBQOSA-N 1 0 394.313 2.798 10 0 GFAERO Ic1ccc2ncnc(N3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000172974302 551691086 /nfs/dbraw/zinc/69/10/86/551691086.db2.gz NFGJCRTZHYJGEX-GFCCVEGCSA-N 1 0 380.233 2.519 10 0 GFAERO C[C@@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000175754184 552127976 /nfs/dbraw/zinc/12/79/76/552127976.db2.gz NLKHVSQNWYBBQY-CABCVRRESA-N 1 0 396.329 2.874 10 0 GFAERO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179220157 552187318 /nfs/dbraw/zinc/18/73/18/552187318.db2.gz PVHTUFBMPGUKMY-ZDUSSCGKSA-N 1 0 396.285 2.938 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)CCO1 ZINC000180011812 552209867 /nfs/dbraw/zinc/20/98/67/552209867.db2.gz HJBRVEPYHYVWFR-ZDUSSCGKSA-N 1 0 383.279 2.582 10 0 GFAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(OC(F)F)c(Br)c2)C[C@H]1C ZINC000180084944 552212712 /nfs/dbraw/zinc/21/27/12/552212712.db2.gz MJDSFJGPDLQYNQ-VXGBXAGGSA-N 1 0 393.272 2.937 10 0 GFAERO C[C@H]([NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000183218251 552303205 /nfs/dbraw/zinc/30/32/05/552303205.db2.gz ASDODQLKHCFSGB-ZANVPECISA-N 1 0 375.782 2.992 10 0 GFAERO CN1C[C@H]([NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)CCC1=O ZINC000186203466 552381549 /nfs/dbraw/zinc/38/15/49/552381549.db2.gz YWJUINXGMNUMMW-NVXWUHKLSA-N 1 0 375.270 2.539 10 0 GFAERO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)C12CCOCC2 ZINC000186287098 552383854 /nfs/dbraw/zinc/38/38/54/552383854.db2.gz XKKCPMXFRIMJMJ-HZPDHXFCSA-N 1 0 397.313 2.951 10 0 GFAERO O=C(C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)NCCc1ccc(Cl)cc1 ZINC000188117498 552435464 /nfs/dbraw/zinc/43/54/64/552435464.db2.gz HVCOMPGCZJUTPB-WMZOPIPTSA-N 1 0 378.925 2.768 10 0 GFAERO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1Br ZINC000188129989 552436017 /nfs/dbraw/zinc/43/60/17/552436017.db2.gz YJJNDXCITHGARI-BBRMVZONSA-N 1 0 396.329 2.849 10 0 GFAERO Cc1cc(F)c(Br)cc1NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000190884496 552512499 /nfs/dbraw/zinc/51/24/99/552512499.db2.gz LVBQSKBSMCEVSA-LBPRGKRZSA-N 1 0 388.281 2.865 10 0 GFAERO Cc1csc(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1Br ZINC000190960060 552514517 /nfs/dbraw/zinc/51/45/17/552514517.db2.gz FWYDWKJJQCIXAQ-LBPRGKRZSA-N 1 0 389.359 2.984 10 0 GFAERO COc1cc(Cl)c(S(=O)(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1OC ZINC000192823981 552975082 /nfs/dbraw/zinc/97/50/82/552975082.db2.gz LCVVYDIFLVORPP-CYBMUJFWSA-N 1 0 390.933 2.756 10 0 GFAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2)C1 ZINC000192935627 552978421 /nfs/dbraw/zinc/97/84/21/552978421.db2.gz OBOTXEUHPGQZOK-MRXNPFEDSA-N 1 0 379.913 2.878 10 0 GFAERO [NH3+]C[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000193297871 552989517 /nfs/dbraw/zinc/98/95/17/552989517.db2.gz ZUMWUFHLIOBJHU-ZETCQYMHSA-N 1 0 388.114 2.868 10 0 GFAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000194150523 553013532 /nfs/dbraw/zinc/01/35/32/553013532.db2.gz UIRFMFUPTLVSEV-LLVKDONJSA-N 1 0 377.794 2.898 10 0 GFAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000194501406 553022659 /nfs/dbraw/zinc/02/26/59/553022659.db2.gz DRKHVXONLKQOOL-OAHLLOKOSA-N 1 0 399.333 2.663 10 0 GFAERO O[C@H](COc1cccc(Br)c1)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246210642 553104528 /nfs/dbraw/zinc/10/45/28/553104528.db2.gz OVYMGNNANJXEBC-RDJZCZTQSA-N 1 0 383.330 2.607 10 0 GFAERO C[C@H](O)CN1CCN(C(=O)C(C)(C)c2ccc(Br)cc2)C[C@H]1C ZINC000246596685 553110667 /nfs/dbraw/zinc/11/06/67/553110667.db2.gz BBRKAPADSONSDT-KGLIPLIRSA-N 1 0 383.330 2.640 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(S(=O)(=O)CC)ccc1Cl ZINC000246850152 553114408 /nfs/dbraw/zinc/11/44/08/553114408.db2.gz CIMPAWKOKLCMCQ-KBPBESRZSA-N 1 0 384.929 2.832 10 0 GFAERO CC[C@@H]1CN(C(=O)C2(c3cccc(Br)c3)CC2)CC[N@@H+]1C[C@H](C)O ZINC000247009664 553117080 /nfs/dbraw/zinc/11/70/80/553117080.db2.gz WCZYGERPMNWQCC-WMLDXEAASA-N 1 0 395.341 2.784 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(I)c1 ZINC000247399527 553122194 /nfs/dbraw/zinc/12/21/94/553122194.db2.gz XAMOXQOOZBGMTR-FZMZJTMJSA-N 1 0 385.249 2.992 10 0 GFAERO CC[C@H]1CN(CCC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C[C@H](C)O ZINC000247558960 553123928 /nfs/dbraw/zinc/12/39/28/553123928.db2.gz FUKDASUHRDCIRA-YOEHRIQHSA-N 1 0 398.345 2.555 10 0 GFAERO CCOCC[N@@H+]1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000247734260 553125237 /nfs/dbraw/zinc/12/52/37/553125237.db2.gz MNSVEHXPACIASW-ZBFHGGJFSA-N 1 0 391.339 2.776 10 0 GFAERO C[C@@H](NC(=O)CN1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000247813700 553126098 /nfs/dbraw/zinc/12/60/98/553126098.db2.gz VPSSGILZUPUFIB-HZSPNIEDSA-N 1 0 388.339 2.558 10 0 GFAERO C[C@@H]1CN([C@H](CNC(=O)N(C)Cc2nccs2)c2cccs2)CCO1 ZINC000248334283 553128035 /nfs/dbraw/zinc/12/80/35/553128035.db2.gz GBLUTAKEHPJDBI-ZIAGYGMSSA-N 1 0 380.539 2.808 10 0 GFAERO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)[C@H]1CCCO1 ZINC000248628286 553131723 /nfs/dbraw/zinc/13/17/23/553131723.db2.gz VTAMAAHCGFTOGO-ZKYQVNSYSA-N 1 0 378.694 2.999 10 0 GFAERO O=C(CCC[S@@](=O)c1ccc(Br)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000252441868 553149825 /nfs/dbraw/zinc/14/98/25/553149825.db2.gz AZLNYLSENSHXKU-NPMXOYFQSA-N 1 0 399.354 2.644 10 0 GFAERO CC(C)(C)c1nc2ccc(S(=O)(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cc2s1 ZINC000252977927 553150127 /nfs/dbraw/zinc/15/01/27/553150127.db2.gz WDGYVSGCUNVICH-UBHSHLNASA-N 1 0 379.551 2.952 10 0 GFAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(Oc2cccc(Br)c2)cc1 ZINC000262313546 553168578 /nfs/dbraw/zinc/16/85/78/553168578.db2.gz QRPNRECJWIMHSK-CXAGYDPISA-N 1 0 391.265 2.552 10 0 GFAERO COc1c(Br)cccc1CNC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263457674 553188232 /nfs/dbraw/zinc/18/82/32/553188232.db2.gz BBJKYQGBKZOTET-UHFFFAOYSA-N 1 0 397.313 2.875 10 0 GFAERO Clc1ccc(I)c(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)c1 ZINC000405321806 563538608 /nfs/dbraw/zinc/53/86/08/563538608.db2.gz ZOKQCMFOGUUQSO-KGLIPLIRSA-N 1 0 392.668 2.507 10 0 GFAERO C[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@H]1C[NH3+] ZINC000602590696 565856222 /nfs/dbraw/zinc/85/62/22/565856222.db2.gz DJRRNLOZNXXWLA-PSASIEDQSA-N 1 0 378.641 2.611 10 0 GFAERO Cc1c(C[NH2+]CCN2CCc3ccccc3C2)c2ccccc2n1CC(N)=O ZINC000055042002 570680178 /nfs/dbraw/zinc/68/01/78/570680178.db2.gz XDZKHHMDFJHBMQ-UHFFFAOYSA-N 1 0 376.504 2.583 10 0 GFAERO C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)CCc1c[nH]c3ccccc13)CC2 ZINC000091871725 571034176 /nfs/dbraw/zinc/03/41/76/571034176.db2.gz RHLPFEGAVFXAOT-UHFFFAOYSA-N 1 0 377.492 2.829 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1c(C)cc(Br)cc1C ZINC000041604837 654627802 /nfs/dbraw/zinc/62/78/02/654627802.db2.gz VJPWRCIITAIYHD-ZDUSSCGKSA-N 1 0 384.318 2.851 10 0 GFAERO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1C[NH3+] ZINC000044556787 654659679 /nfs/dbraw/zinc/65/96/79/654659679.db2.gz HRRYFWJDEOJGNV-SNVBAGLBSA-N 1 0 397.722 2.613 10 0 GFAERO CCOc1cc(CN2CCO[C@H](C[NH+](C)C)C2)cc(Br)c1OC ZINC000128048317 654840641 /nfs/dbraw/zinc/84/06/41/654840641.db2.gz WTHBBTRLIQHTRP-CQSZACIVSA-N 1 0 387.318 2.619 10 0 GFAERO CSCC[C@H]1NC(=S)N(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1=O ZINC000067507288 654939737 /nfs/dbraw/zinc/93/97/37/654939737.db2.gz DSOGRERWANVBJD-IAGOWNOFSA-N 1 0 377.579 2.880 10 0 GFAERO CSCC[C@@H]1NC(=S)N(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1=O ZINC000067507287 654939759 /nfs/dbraw/zinc/93/97/59/654939759.db2.gz DSOGRERWANVBJD-IRXDYDNUSA-N 1 0 377.579 2.880 10 0 GFAERO CCOCC[N@@H+]1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000106111611 655103028 /nfs/dbraw/zinc/10/30/28/655103028.db2.gz LBSWKFHFGZORAY-GJZGRUSLSA-N 1 0 391.339 2.776 10 0 GFAERO C[C@H](C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)N1CCOCC1 ZINC000111382996 655172268 /nfs/dbraw/zinc/17/22/68/655172268.db2.gz KTVHUJDBXRJPSE-CYBMUJFWSA-N 1 0 379.302 2.650 10 0 GFAERO CC[C@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1nc(C(F)(F)F)cs1 ZINC000173731185 655178057 /nfs/dbraw/zinc/17/80/57/655178057.db2.gz AIJQOFRRBBJKIA-QWRGUYRKSA-N 1 0 380.436 2.585 10 0 GFAERO Cc1nc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)sc1C ZINC000112519061 655192978 /nfs/dbraw/zinc/19/29/78/655192978.db2.gz WBWPORLBJOHOHV-VXGBXAGGSA-N 1 0 381.523 2.841 10 0 GFAERO CC(C)Oc1cc(Br)cc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000174245051 655195299 /nfs/dbraw/zinc/19/52/99/655195299.db2.gz HLJKZHIIUCYCHY-INIZCTEOSA-N 1 0 385.302 2.639 10 0 GFAERO CC[C@@H]1CN(C(=O)[C@@H](C)c2ccc(Br)s2)CC[N@@H+]1C[C@@H](C)O ZINC000174603785 655204931 /nfs/dbraw/zinc/20/49/31/655204931.db2.gz SXBINGOJQKBZDO-FRRDWIJNSA-N 1 0 389.359 2.918 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCn1c(=S)[nH]nc1-c1cccs1 ZINC000113444715 655210654 /nfs/dbraw/zinc/21/06/54/655210654.db2.gz NJUCVQRFULTYCH-QWHCGFSZSA-N 1 0 377.539 2.754 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(C)c(Br)c1 ZINC000176901267 655259940 /nfs/dbraw/zinc/25/99/40/655259940.db2.gz PYTBFUQGNBAVET-AWEZNQCLSA-N 1 0 382.302 2.639 10 0 GFAERO COCC[N@@H+]1CCN(Cn2ncn(-c3cccc(Cl)c3)c2=S)C[C@H]1C ZINC000117322339 655264249 /nfs/dbraw/zinc/26/42/49/655264249.db2.gz WSVYTMNESKZFCV-CQSZACIVSA-N 1 0 381.933 2.667 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(I)c(F)c1 ZINC000177043299 655265919 /nfs/dbraw/zinc/26/59/19/655265919.db2.gz YHSRMKSQSNQOER-GFCCVEGCSA-N 1 0 390.240 2.987 10 0 GFAERO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193549066 655410969 /nfs/dbraw/zinc/41/09/69/655410969.db2.gz ZKSCAAJEQWESRU-MFKMUULPSA-N 1 0 379.254 2.734 10 0 GFAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000236965284 655425218 /nfs/dbraw/zinc/42/52/18/655425218.db2.gz BQMXLFHATXSBJB-CZUORRHYSA-N 1 0 383.330 2.987 10 0 GFAERO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000237118470 655425692 /nfs/dbraw/zinc/42/56/92/655425692.db2.gz YCAJYXKNKOQOLR-BFYDXBDKSA-N 1 0 383.330 2.888 10 0 GFAERO CC[C@H]([NH2+][C@H](C)CS(=O)(=O)CC)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000249117792 655433792 /nfs/dbraw/zinc/43/37/92/655433792.db2.gz YSTBPLXXFHKYQA-PMPSAXMXSA-N 1 0 376.563 2.967 10 0 GFAERO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)sc2C)s1 ZINC000262645346 655446471 /nfs/dbraw/zinc/44/64/71/655446471.db2.gz SJIRXMMVSIDHAV-VXGBXAGGSA-N 1 0 378.523 2.882 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]Cc2ccc(Br)s2)C1 ZINC000702763169 655521759 /nfs/dbraw/zinc/52/17/59/655521759.db2.gz MWWOVZUDQCHCSQ-CMPLNLGQSA-N 1 0 391.331 2.828 10 0 GFAERO CCc1ccc(OCC(=O)Nc2cc(N)ccc2N2CC[NH+](CC)CC2)cc1 ZINC000226260190 212115099 /nfs/dbraw/zinc/11/50/99/212115099.db2.gz TYNGGAWWGSOCDQ-UHFFFAOYSA-N 1 0 382.508 2.991 10 0 GFAERO COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)cc1 ZINC000328625753 212085568 /nfs/dbraw/zinc/08/55/68/212085568.db2.gz KYXNLUUWBXECSW-LZFQIVBZSA-N 1 0 384.524 2.867 10 0 GFAERO c1nc(N2CCOCC2)sc1C[NH2+][C@@H]1CCCc2c1cnn2-c1ccccn1 ZINC000011937550 221139462 /nfs/dbraw/zinc/13/94/62/221139462.db2.gz WDDWSMXJRFNRJZ-QGZVFWFLSA-N 1 0 396.520 2.728 10 0 GFAERO Cc1cnc(C)c(-c2cc3c(c(F)c2)O[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C3)n1 ZINC000012131416 221157107 /nfs/dbraw/zinc/15/71/07/221157107.db2.gz SGVSYOXJNKMLAO-HKUYNNGSSA-N 1 0 398.482 2.804 10 0 GFAERO CC(=O)Nc1ccc(C[NH2+]CCn2cc(C(=O)Nc3ccccc3C)nn2)cc1 ZINC000012278617 221174991 /nfs/dbraw/zinc/17/49/91/221174991.db2.gz JLUQECGXGKYCKQ-UHFFFAOYSA-N 1 0 392.463 2.587 10 0 GFAERO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@H]([NH2+]Cc1nccs1)CC2 ZINC000014743916 221316528 /nfs/dbraw/zinc/31/65/28/221316528.db2.gz SILXQKGTPKAKGZ-MRXNPFEDSA-N 1 0 395.532 2.737 10 0 GFAERO CC(C)CC(=O)N[C@H](C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)C(C)C ZINC000057055131 222028106 /nfs/dbraw/zinc/02/81/06/222028106.db2.gz LYYHXNHNLGGAFZ-NRFANRHFSA-N 1 0 388.556 2.559 10 0 GFAERO Cc1nc(-c2cccc(CN3CCN(c4cc[nH+]cc4)CC3)c2)[nH]c(=O)c1C ZINC000067588673 222149260 /nfs/dbraw/zinc/14/92/60/222149260.db2.gz KLBHKINSJRCSGE-UHFFFAOYSA-N 1 0 375.476 2.771 10 0 GFAERO C[C@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1Br ZINC000049172810 551157999 /nfs/dbraw/zinc/15/79/99/551157999.db2.gz XAAYGRXBBZKZOA-KBPBESRZSA-N 1 0 384.318 2.656 10 0 GFAERO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000121855418 551244362 /nfs/dbraw/zinc/24/43/62/551244362.db2.gz RGSPIUAWNZXCGQ-CQSZACIVSA-N 1 0 384.318 2.789 10 0 GFAERO C[C@@H](Cc1cccc(Br)c1)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000139275671 551392202 /nfs/dbraw/zinc/39/22/02/551392202.db2.gz YXKWPQRJBVANQI-YOEHRIQHSA-N 1 0 398.345 2.526 10 0 GFAERO CCn1cnnc1C1CC[NH+](C[C@H](O)c2ccccc2Br)CC1 ZINC000152969505 551443601 /nfs/dbraw/zinc/44/36/01/551443601.db2.gz JIBZYZKFAFOIDV-INIZCTEOSA-N 1 0 379.302 2.974 10 0 GFAERO C[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000159091364 551561009 /nfs/dbraw/zinc/56/10/09/551561009.db2.gz MXKGUIYHNSUCNR-KBPBESRZSA-N 1 0 381.519 2.905 10 0 GFAERO C[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1cccnc1Cl ZINC000163489435 551620273 /nfs/dbraw/zinc/62/02/73/551620273.db2.gz POKLBJPZYXIGPB-VXGBXAGGSA-N 1 0 381.885 2.816 10 0 GFAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(Cl)ccc2I)C1 ZINC000170866221 551641405 /nfs/dbraw/zinc/64/14/05/551641405.db2.gz ZKGRSWQYIYBNGO-JTQLQIEISA-N 1 0 378.641 2.721 10 0 GFAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc(Br)ccc1OC ZINC000174536739 552106252 /nfs/dbraw/zinc/10/62/52/552106252.db2.gz HPLWOXNRPNTQGF-ZDUSSCGKSA-N 1 0 391.331 2.563 10 0 GFAERO CC[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000174614124 552107082 /nfs/dbraw/zinc/10/70/82/552107082.db2.gz DQHMTRHKJDSORC-PBHICJAKSA-N 1 0 395.341 2.784 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1c(=S)[nH]nc1-c1cccs1 ZINC000175025977 552114087 /nfs/dbraw/zinc/11/40/87/552114087.db2.gz KNTVSKPYWDJUNX-CHWSQXEVSA-N 1 0 377.539 2.754 10 0 GFAERO COc1nc(N2CC[C@H](CNc3cccc(C)[nH+]3)C2)ncc1Br ZINC000176240696 552137132 /nfs/dbraw/zinc/13/71/32/552137132.db2.gz BMCVRSXKEUYFRV-GFCCVEGCSA-N 1 0 378.274 2.890 10 0 GFAERO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000176696156 552143988 /nfs/dbraw/zinc/14/39/88/552143988.db2.gz YEQZPSVXTWCCLY-UKRRQHHQSA-N 1 0 383.897 2.834 10 0 GFAERO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179280847 552189034 /nfs/dbraw/zinc/18/90/34/552189034.db2.gz HCTVSNRBANXRHU-CQSZACIVSA-N 1 0 394.313 2.818 10 0 GFAERO CC[C@H](O)C[NH+]1CCN(Cc2ccc(Br)c3cccnc23)CC1 ZINC000180128902 552214454 /nfs/dbraw/zinc/21/44/54/552214454.db2.gz BXDMDXKRJZOSFK-HNNXBMFYSA-N 1 0 378.314 2.886 10 0 GFAERO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000184367217 552334332 /nfs/dbraw/zinc/33/43/32/552334332.db2.gz HFMHEJUWPNZXCK-HNNXBMFYSA-N 1 0 383.311 2.927 10 0 GFAERO CCO[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)C12CCOCC2 ZINC000186289129 552383698 /nfs/dbraw/zinc/38/36/98/552383698.db2.gz GXMVMVSLOIILRR-DLBZAZTESA-N 1 0 387.929 2.678 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(C)cc(Br)c1 ZINC000188115241 552435573 /nfs/dbraw/zinc/43/55/73/552435573.db2.gz CPOYHSLKJWUPDO-OAHLLOKOSA-N 1 0 382.302 2.639 10 0 GFAERO C[N@H+](CCOCC(F)(F)C(F)F)C[C@H](c1cccs1)N1CCOCC1 ZINC000189200428 552465495 /nfs/dbraw/zinc/46/54/95/552465495.db2.gz KVLZKOXWFNDRHB-CYBMUJFWSA-N 1 0 384.439 2.970 10 0 GFAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)c2cn3ccnc3s2)C1 ZINC000189245445 552466520 /nfs/dbraw/zinc/46/65/20/552466520.db2.gz ZUHFMOBEMJCXMJ-CYBMUJFWSA-N 1 0 375.523 2.755 10 0 GFAERO CC[C@H]1CN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC[N@@H+]1CCOC ZINC000189660794 552477043 /nfs/dbraw/zinc/47/70/43/552477043.db2.gz RGGNSLRXPBMVOX-LBPRGKRZSA-N 1 0 382.917 2.974 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc(I)cc1 ZINC000190934163 552513903 /nfs/dbraw/zinc/51/39/03/552513903.db2.gz KOWMCWDCWHHPKB-SWLSCSKDSA-N 1 0 384.261 2.529 10 0 GFAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1c(F)cc(F)cc1Br ZINC000192293807 552558426 /nfs/dbraw/zinc/55/84/26/552558426.db2.gz MRFYSVJQSSKXCJ-LLVKDONJSA-N 1 0 392.244 2.696 10 0 GFAERO COc1ccc(Br)cc1S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000194430764 553020348 /nfs/dbraw/zinc/02/03/48/553020348.db2.gz JXWUYHKGCPRFDT-ZDUSSCGKSA-N 1 0 393.347 2.712 10 0 GFAERO CC(=O)Nc1nc(CN2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)cs1 ZINC000195250531 553042564 /nfs/dbraw/zinc/04/25/64/553042564.db2.gz PPUFMRGWPXAOOQ-CQSZACIVSA-N 1 0 379.555 2.820 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(I)c(O)c1 ZINC000230900349 553065757 /nfs/dbraw/zinc/06/57/57/553065757.db2.gz MWGYQCRPMJBSDA-GFCCVEGCSA-N 1 0 388.249 2.553 10 0 GFAERO O[C@@H](COc1cccc(Br)c1)CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000246292780 553106056 /nfs/dbraw/zinc/10/60/56/553106056.db2.gz VJPPGJMVWOWSGD-DLBZAZTESA-N 1 0 383.330 2.749 10 0 GFAERO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246464468 553107567 /nfs/dbraw/zinc/10/75/67/553107567.db2.gz PQENXKCWGIZYIR-IUODEOHRSA-N 1 0 382.302 2.541 10 0 GFAERO CC[NH+](CC)C[C@H]1CCN(C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000247479462 553122975 /nfs/dbraw/zinc/12/29/75/553122975.db2.gz JYLOYQXRSHAPSG-NVXWUHKLSA-N 1 0 385.346 2.853 10 0 GFAERO C[C@H]1C[N@H+](Cc2cc(Br)cc3c2OCC3)C[C@H]1N1CCOCC1 ZINC000248873783 553136014 /nfs/dbraw/zinc/13/60/14/553136014.db2.gz QWGRQYYYPIYDKE-SUMWQHHRSA-N 1 0 381.314 2.537 10 0 GFAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc(Br)c1 ZINC000250243928 553147150 /nfs/dbraw/zinc/14/71/50/553147150.db2.gz VKAXNEREBMFSPJ-WBVHZDCISA-N 1 0 399.329 2.522 10 0 GFAERO CC[C@@H]1CN(C(=O)Cc2ccc(C)c(Br)c2)CC[N@@H+]1C[C@H](C)O ZINC000253295676 553150883 /nfs/dbraw/zinc/15/08/83/553150883.db2.gz RUSVNGBBSOUINV-GOEBONIOSA-N 1 0 383.330 2.604 10 0 GFAERO C[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000262297022 553168406 /nfs/dbraw/zinc/16/84/06/553168406.db2.gz OZFYXLCZKAZKKS-SRVKXCTJSA-N 1 0 383.286 2.915 10 0 GFAERO O=C(c1cccc(F)c1I)N1CCN2CCCC[C@@H]2C1 ZINC000533540888 564965222 /nfs/dbraw/zinc/96/52/22/564965222.db2.gz AIEGVMBYZDPNJD-LLVKDONJSA-N 1 0 388.224 2.741 10 0 GFAERO C[C@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@@H]1C[NH3+] ZINC000638913333 565218148 /nfs/dbraw/zinc/21/81/48/565218148.db2.gz LPRWSQPGKFAUDL-BQBZGAKWSA-N 1 0 382.121 2.940 10 0 GFAERO COC(=O)c1cc(C)c2c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)C1)C[C@@H]2[NH3+] ZINC000725259837 570307017 /nfs/dbraw/zinc/30/70/17/570307017.db2.gz KAISFNQBSCKUCT-XOBRGWDASA-N 1 0 376.453 2.944 10 0 GFAERO CC[C@H](C)[C@H]([NH2+]C[C@H](O)COC(C)C)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000036154949 570389680 /nfs/dbraw/zinc/38/96/80/570389680.db2.gz XCABMVCFTQFCMT-YEWWUXTCSA-N 1 0 391.468 2.928 10 0 GFAERO COc1ccc(C[N@H+](C[C@@H](O)COCc2ccco2)C[C@@H]2CCCO2)cc1 ZINC000169677781 570597828 /nfs/dbraw/zinc/59/78/28/570597828.db2.gz ISCYMZXRVKVDRZ-QUCCMNQESA-N 1 0 375.465 2.847 10 0 GFAERO CC[C@H](C)[C@H]([NH2+]C[C@@H](O)COC(C)C)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000169681299 570904620 /nfs/dbraw/zinc/90/46/20/570904620.db2.gz XCABMVCFTQFCMT-JOQOYGCGSA-N 1 0 391.468 2.928 10 0 GFAERO O=C(NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)c1noc2c1CCCC2 ZINC000091906630 571035582 /nfs/dbraw/zinc/03/55/82/571035582.db2.gz YXUKZRPWWXAAAQ-UHFFFAOYSA-N 1 0 383.496 2.828 10 0 GFAERO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2)cc1S(N)(=O)=O ZINC000015482962 654510314 /nfs/dbraw/zinc/51/03/14/654510314.db2.gz BIEQWCIWKRCOKV-LBPRGKRZSA-N 1 0 381.885 2.585 10 0 GFAERO O=S(=O)(c1ccc(Br)cc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000040693086 654621612 /nfs/dbraw/zinc/62/16/12/654621612.db2.gz LLXSQENZKDAVBE-LLVKDONJSA-N 1 0 379.707 2.571 10 0 GFAERO CCCC[N@H+](C[C@@H](O)COCc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066544164 654905293 /nfs/dbraw/zinc/90/52/93/654905293.db2.gz DYWIURFFJKWHJX-QZTJIDSGSA-N 1 0 389.945 2.507 10 0 GFAERO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(Br)nc2)C[C@H]1CC ZINC000133008776 654951850 /nfs/dbraw/zinc/95/18/50/654951850.db2.gz NEEYGXBWLHFWRJ-CQSZACIVSA-N 1 0 385.306 2.809 10 0 GFAERO C[C@H](Sc1nc2ccccc2s1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000133612950 654968329 /nfs/dbraw/zinc/96/83/29/654968329.db2.gz MJDGQOTUDCYALL-UONOGXRCSA-N 1 0 379.551 2.740 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000134095686 654982887 /nfs/dbraw/zinc/98/28/87/654982887.db2.gz FUDNLOPAMAAGEF-JTQLQIEISA-N 1 0 390.709 2.888 10 0 GFAERO Cc1csc([C@H]2CCC[N@H+](CCC(=O)Nc3sccc3C(N)=O)C2)n1 ZINC000103472996 655073155 /nfs/dbraw/zinc/07/31/55/655073155.db2.gz WITGNWDOBZBJOC-LBPRGKRZSA-N 1 0 378.523 2.820 10 0 GFAERO CC[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2Br)CC[N@@H+]1CCOC ZINC000106114280 655103311 /nfs/dbraw/zinc/10/33/11/655103311.db2.gz BXOSWVOZLROBTO-LSDHHAIUSA-N 1 0 398.345 2.819 10 0 GFAERO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106171540 655104387 /nfs/dbraw/zinc/10/43/87/655104387.db2.gz UKXRSBHIJNWWNF-ZFWWWQNUSA-N 1 0 385.295 2.737 10 0 GFAERO CN(C(=O)c1cc(Cl)c(Cl)n1C)C1CC[NH+](CCn2cccn2)CC1 ZINC000109292812 655144388 /nfs/dbraw/zinc/14/43/88/655144388.db2.gz SSYZUOHFPDNLNV-UHFFFAOYSA-N 1 0 384.311 2.765 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(F)cc1I ZINC000113230069 655205615 /nfs/dbraw/zinc/20/56/15/655205615.db2.gz IRSAFFHMRHMVRU-ZYHUDNBSSA-N 1 0 388.224 2.739 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccc(Br)cc2Cl)CCO1 ZINC000117039850 655258774 /nfs/dbraw/zinc/25/87/74/655258774.db2.gz SNMLVBWNJNPXDD-CYBMUJFWSA-N 1 0 390.709 2.575 10 0 GFAERO COCC[N@@H+]1CCN(Cn2ncn(-c3cccc(Cl)c3)c2=S)C[C@@H]1C ZINC000117322342 655264178 /nfs/dbraw/zinc/26/41/78/655264178.db2.gz WSVYTMNESKZFCV-AWEZNQCLSA-N 1 0 381.933 2.667 10 0 GFAERO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)/C=C/c2cccc(Cl)c2)CC1 ZINC000184162166 655355464 /nfs/dbraw/zinc/35/54/64/655355464.db2.gz GPWKVNOYRDFYOH-SHQCLWGWSA-N 1 0 386.945 2.665 10 0 GFAERO Cc1c(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cnn1-c1cccc(Br)c1 ZINC000193648141 655411544 /nfs/dbraw/zinc/41/15/44/655411544.db2.gz ZKSQVGKRXXPFLV-BDJLRTHQSA-N 1 0 377.286 2.814 10 0 GFAERO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000237111749 655425688 /nfs/dbraw/zinc/42/56/88/655425688.db2.gz NLPVOTZOAXUXSE-FZMZJTMJSA-N 1 0 383.286 2.664 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@@H](C[NH2+]Cc2sccc2Br)[C@H](O)C1 ZINC000702764949 655521777 /nfs/dbraw/zinc/52/17/77/655521777.db2.gz PTIVHZOEPJZHAI-ZYHUDNBSSA-N 1 0 391.331 2.828 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@@H](C[NH2+]Cc2cccc(Br)c2)[C@H](O)C1 ZINC000702781335 655521844 /nfs/dbraw/zinc/52/18/44/655521844.db2.gz PKYCZUWWHZUXRI-UKRRQHHQSA-N 1 0 385.302 2.767 10 0 GFAERO O=C([C@@H]1C[C@H](Sc2ccc(F)cc2)C[NH2+]1)N1CCN(c2ccccc2)CC1 ZINC000011782435 221124683 /nfs/dbraw/zinc/12/46/83/221124683.db2.gz ADWZMYDJMYNMOF-PMACEKPBSA-N 1 0 385.508 2.997 10 0 GFAERO O=C(c1ccc[n+]([O-])c1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000012443336 221196180 /nfs/dbraw/zinc/19/61/80/221196180.db2.gz YSZQGTCOSLLRPG-OAQYLSRUSA-N 1 0 387.430 2.727 10 0 GFAERO CCC[N@H+](CC1CC1)[C@@H]1CCc2c(c(C(=O)N3CCSCC3)nn2C)C1 ZINC000014753438 221316237 /nfs/dbraw/zinc/31/62/37/221316237.db2.gz LTLUSRADAOWELF-MRXNPFEDSA-N 1 0 376.570 2.588 10 0 GFAERO O[C@H](COc1ccc(Cl)cc1CN1CCOCC1)C[NH+]1CCCCCC1 ZINC000015076013 221331886 /nfs/dbraw/zinc/33/18/86/221331886.db2.gz ZBXSVMFDOFCDFG-IBGZPJMESA-N 1 0 382.932 2.788 10 0 GFAERO O=C1N[C@](CCCc2ccccc2)(C2CC[NH2+]CC2)C(=O)N1Cc1cscn1 ZINC000067920799 222167396 /nfs/dbraw/zinc/16/73/96/222167396.db2.gz VIJNKBJWLTUWQV-OAQYLSRUSA-N 1 0 398.532 2.956 10 0 GFAERO C[C@H]([NH2+]Cc1c(C(=O)N2CCOCC2)nc2ccccn21)c1ccc(F)cc1 ZINC000082039542 222306711 /nfs/dbraw/zinc/30/67/11/222306711.db2.gz LQGLPHBNBBKQQB-HNNXBMFYSA-N 1 0 382.439 2.797 10 0 GFAERO COCC[NH2+]CCCn1c2ncnc(N)c2c(-c2ccc(C)cc2)c1C(=O)CF ZINC000095570474 222355988 /nfs/dbraw/zinc/35/59/88/222355988.db2.gz UPTQGXMIZXGVSC-UHFFFAOYSA-N 1 0 399.470 2.767 10 0 GFAERO CC[C@H]1CN(C(=O)NCc2cccc(Br)c2)CC[N@@H+]1CCOC ZINC000117486568 551214016 /nfs/dbraw/zinc/21/40/16/551214016.db2.gz XJNMCPUKGZJAPD-INIZCTEOSA-N 1 0 384.318 2.701 10 0 GFAERO CC[C@H](O)C[NH+]1CCN(CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000123581613 551307117 /nfs/dbraw/zinc/30/71/17/551307117.db2.gz SRGXYYUOALRYKX-KRWDZBQOSA-N 1 0 381.314 2.613 10 0 GFAERO CN1CCO[C@@H](CNC(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)C1 ZINC000151304326 551410861 /nfs/dbraw/zinc/41/08/61/551410861.db2.gz IZENEGKUCNPUAH-NSHDSACASA-N 1 0 381.782 2.733 10 0 GFAERO CCC[C@H](C(=O)NCCC(=O)N(C)Cc1ccccc1Br)[NH+](C)C ZINC000154932287 551486065 /nfs/dbraw/zinc/48/60/65/551486065.db2.gz KCVJHLAMMBABNA-MRXNPFEDSA-N 1 0 398.345 2.644 10 0 GFAERO C[NH+](C)C[C@H]1CN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CCO1 ZINC000155324434 551497646 /nfs/dbraw/zinc/49/76/46/551497646.db2.gz ASLGPRJTNBNHCA-NSHDSACASA-N 1 0 380.703 2.848 10 0 GFAERO Cc1cc(Br)cc2cc(C(=O)N3CCO[C@H](C[NH+](C)C)C3)oc21 ZINC000157090956 551533116 /nfs/dbraw/zinc/53/31/16/551533116.db2.gz CLMINFJJNILEDM-CQSZACIVSA-N 1 0 381.270 2.906 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(F)cc2I)C1 ZINC000158893499 551558515 /nfs/dbraw/zinc/55/85/15/551558515.db2.gz JKUGOPSYJIOFRD-YGRLFVJLSA-N 1 0 390.240 2.889 10 0 GFAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(Br)cc3cccnc32)C[C@@H]1C ZINC000162556433 551609575 /nfs/dbraw/zinc/60/95/75/551609575.db2.gz IHSGEGXWOWAYRE-UONOGXRCSA-N 1 0 378.314 2.884 10 0 GFAERO CCOc1cc(Br)c(CC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1OCC ZINC000170859299 551641414 /nfs/dbraw/zinc/64/14/14/551641414.db2.gz DMHBRWKALGMIMT-CQSZACIVSA-N 1 0 399.329 2.952 10 0 GFAERO Cn1cc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2cccc(Br)c2)cn1 ZINC000171410617 551654223 /nfs/dbraw/zinc/65/42/23/551654223.db2.gz PJBOIANJOBGGIQ-RDJZCZTQSA-N 1 0 380.286 2.759 10 0 GFAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)C[C@@H]1C ZINC000173675674 552091039 /nfs/dbraw/zinc/09/10/39/552091039.db2.gz JVUICZCRSHURDQ-UONOGXRCSA-N 1 0 394.313 2.991 10 0 GFAERO COC(=O)[C@@H](CC(C)C)NC(=O)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000182578155 552287761 /nfs/dbraw/zinc/28/77/61/552287761.db2.gz OOGXZTJUVCLRES-SWLSCSKDSA-N 1 0 385.302 2.804 10 0 GFAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000182964573 552297402 /nfs/dbraw/zinc/29/74/02/552297402.db2.gz KWYRYCXDUOXGIC-QWHCGFSZSA-N 1 0 379.917 2.579 10 0 GFAERO C[C@H]([NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000183029250 552298409 /nfs/dbraw/zinc/29/84/09/552298409.db2.gz OJOYPEPHEPQLKH-KBPBESRZSA-N 1 0 398.575 2.676 10 0 GFAERO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(Cl)s2)cc1S(N)(=O)=O ZINC000183002241 552298563 /nfs/dbraw/zinc/29/85/63/552298563.db2.gz IIJYGECLDIPTMS-SNVBAGLBSA-N 1 0 387.914 2.647 10 0 GFAERO CC[C@@H]1CN(C(=O)NCc2cccc(C)c2Br)CC[N@@H+]1C[C@@H](C)O ZINC000190506233 552498438 /nfs/dbraw/zinc/49/84/38/552498438.db2.gz TXYHZTZRTIOQIH-GDBMZVCRSA-N 1 0 398.345 2.744 10 0 GFAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)Cc2c(C)noc2Cl)C1 ZINC000190562191 552501406 /nfs/dbraw/zinc/50/14/06/552501406.db2.gz XVHHGVMDSVRWGT-CYBMUJFWSA-N 1 0 382.917 2.924 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2cc3c(cc2Br)CCC3)CCO1 ZINC000192466559 552564541 /nfs/dbraw/zinc/56/45/41/552564541.db2.gz XCIXGNDJVMSEMV-CQSZACIVSA-N 1 0 382.302 2.732 10 0 GFAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000192655714 552568359 /nfs/dbraw/zinc/56/83/59/552568359.db2.gz NXOQIKCZRFGFRA-NEPJUHHUSA-N 1 0 381.885 2.665 10 0 GFAERO CCOc1c(Br)cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000195310412 553044817 /nfs/dbraw/zinc/04/48/17/553044817.db2.gz RCFAGBXKSFZXPT-ZDUSSCGKSA-N 1 0 383.286 2.777 10 0 GFAERO O=C1[C@H](N2CC[C@@H](N3CCOCC3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000245552488 553092650 /nfs/dbraw/zinc/09/26/50/553092650.db2.gz QNFQSLDWBLEARA-RHSMWYFYSA-N 1 0 384.307 2.505 10 0 GFAERO O=C1[C@@H](N2CC[C@@H](N3CCOCC3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000245552486 553092700 /nfs/dbraw/zinc/09/27/00/553092700.db2.gz QNFQSLDWBLEARA-PBHICJAKSA-N 1 0 384.307 2.505 10 0 GFAERO Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000245601933 553093294 /nfs/dbraw/zinc/09/32/94/553093294.db2.gz VWSKFOHPCSOFNS-IUODEOHRSA-N 1 0 382.302 2.541 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccccc1I ZINC000246162162 553103567 /nfs/dbraw/zinc/10/35/67/553103567.db2.gz CSYIVSBLSYQCOX-CABCVRRESA-N 1 0 398.288 2.919 10 0 GFAERO CCCC[N@H+](C[C@H](O)COCc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000246223738 553104553 /nfs/dbraw/zinc/10/45/53/553104553.db2.gz DYWIURFFJKWHJX-ROUUACIJSA-N 1 0 389.945 2.507 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000246758460 553112417 /nfs/dbraw/zinc/11/24/17/553112417.db2.gz ALIOEFNLTOMJNK-PWSUYJOCSA-N 1 0 393.734 2.960 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000246790164 553113656 /nfs/dbraw/zinc/11/36/56/553113656.db2.gz BKXCQRMCBQFKLK-JQWIXIFHSA-N 1 0 388.256 2.834 10 0 GFAERO O[C@H](COc1ccc(Cl)cc1Br)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247592594 553124071 /nfs/dbraw/zinc/12/40/71/553124071.db2.gz JUZKEGWCRFYLCU-KBPBESRZSA-N 1 0 389.721 2.622 10 0 GFAERO Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc(C)c1Br ZINC000248679706 553133035 /nfs/dbraw/zinc/13/30/35/553133035.db2.gz VPSXVALFRWWORW-UKRRQHHQSA-N 1 0 396.329 2.849 10 0 GFAERO O=C(CCC[S@](=O)c1ccc(Br)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000252441869 553149596 /nfs/dbraw/zinc/14/95/96/553149596.db2.gz AZLNYLSENSHXKU-WNSKOXEYSA-N 1 0 399.354 2.644 10 0 GFAERO O=C([O-])C[N@@H+](CC1CC1)C1CC(NCc2cccc(O)c2Br)C1 ZINC000263533347 553189133 /nfs/dbraw/zinc/18/91/33/553189133.db2.gz XTUUOXZHRKAOEY-UHFFFAOYSA-N 1 0 383.286 2.572 10 0 GFAERO [NH3+]C[C@H]1CN(c2ccc(I)cn2)CC[C@@H]1C(F)(F)F ZINC000600863403 565753187 /nfs/dbraw/zinc/75/31/87/565753187.db2.gz MDXASMWWUJSONT-WPRPVWTQSA-N 1 0 385.171 2.650 10 0 GFAERO COc1ccc(C[N@H+](C[C@H](O)COCc2ccco2)C[C@@H]2CCCO2)cc1 ZINC000036095266 570534279 /nfs/dbraw/zinc/53/42/79/570534279.db2.gz ISCYMZXRVKVDRZ-ICSRJNTNSA-N 1 0 375.465 2.847 10 0 GFAERO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)sc1Br ZINC000122028325 654728644 /nfs/dbraw/zinc/72/86/44/654728644.db2.gz RIJDXUKYTHIMQT-QWRGUYRKSA-N 1 0 379.345 2.676 10 0 GFAERO Cc1cc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)sc1Br ZINC000122028578 654728663 /nfs/dbraw/zinc/72/86/63/654728663.db2.gz RIJDXUKYTHIMQT-WDEREUQCSA-N 1 0 379.345 2.676 10 0 GFAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(O)c(Br)c1 ZINC000126149519 654809027 /nfs/dbraw/zinc/80/90/27/654809027.db2.gz NZXYXZAMYFJTLO-ZIAGYGMSSA-N 1 0 382.302 2.923 10 0 GFAERO O=C(CCCCCc1ccc(I)cc1)N[C@@H]1CC[NH2+]C1 ZINC000126330161 654812606 /nfs/dbraw/zinc/81/26/06/654812606.db2.gz FHLPSIVVBHWQFI-OAHLLOKOSA-N 1 0 386.277 2.872 10 0 GFAERO C[C@@H](NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000061954907 654843165 /nfs/dbraw/zinc/84/31/65/654843165.db2.gz GLJKQLUAUZSIQW-CZUORRHYSA-N 1 0 384.318 2.656 10 0 GFAERO CC[C@@H](Cc1ccccc1Br)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000134365716 654992067 /nfs/dbraw/zinc/99/20/67/654992067.db2.gz YUOUEDLWKTUCNZ-HOCLYGCPSA-N 1 0 383.330 2.807 10 0 GFAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccccc1I ZINC000096658511 655031967 /nfs/dbraw/zinc/03/19/67/655031967.db2.gz OFAPHGQNFSHMDC-QWHCGFSZSA-N 1 0 384.261 2.990 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)/C=C/c2ccc(I)o2)C1 ZINC000155327534 655083707 /nfs/dbraw/zinc/08/37/07/655083707.db2.gz AXSBJLAGNKEWJP-HASJVIIQSA-N 1 0 388.249 2.742 10 0 GFAERO C[NH+](C)C[C@H]1CN(Cc2ncc(-c3cccc(Br)c3)o2)CCO1 ZINC000173701443 655176527 /nfs/dbraw/zinc/17/65/27/655176527.db2.gz MBOJJEFCOKWSHY-HNNXBMFYSA-N 1 0 380.286 2.867 10 0 GFAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000111815359 655177717 /nfs/dbraw/zinc/17/77/17/655177717.db2.gz DZXRSLIQPOLEGO-CZUORRHYSA-N 1 0 384.318 2.920 10 0 GFAERO COc1c(C[NH2+]CCC(=O)Nc2cc(Br)ccc2C)c(C)nn1C ZINC000113353678 655208178 /nfs/dbraw/zinc/20/81/78/655208178.db2.gz XCCSJVMLCIHQLA-UHFFFAOYSA-N 1 0 395.301 2.926 10 0 GFAERO Cc1cc(Br)ccc1SCC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116796438 655253797 /nfs/dbraw/zinc/25/37/97/655253797.db2.gz CLXZKXCGZJLOPD-AWEZNQCLSA-N 1 0 387.343 2.639 10 0 GFAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Cc2ccc(Br)cc2)CC1 ZINC000176879068 655258692 /nfs/dbraw/zinc/25/86/92/655258692.db2.gz TUBUVAVWRMIOBQ-AWEZNQCLSA-N 1 0 383.330 2.543 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)NCC(C)(C)c2ccc(Br)cc2)CCO1 ZINC000117034998 655258626 /nfs/dbraw/zinc/25/86/26/655258626.db2.gz JCAVLHNAPRFQEX-INIZCTEOSA-N 1 0 398.345 2.699 10 0 GFAERO C[C@H](CCc1ccc(Br)cc1)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117037898 655258699 /nfs/dbraw/zinc/25/86/99/655258699.db2.gz MQEYDHQBOLMIIH-RHSMWYFYSA-N 1 0 398.345 2.742 10 0 GFAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc(F)cc2Br)CC1 ZINC000176890864 655259234 /nfs/dbraw/zinc/25/92/34/655259234.db2.gz MKYHJMGRRQYXKH-GFCCVEGCSA-N 1 0 387.293 2.753 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000176900416 655259915 /nfs/dbraw/zinc/25/99/15/655259915.db2.gz UYYNNRBCFMWYRY-GFCCVEGCSA-N 1 0 378.523 2.753 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1I ZINC000177085566 655267748 /nfs/dbraw/zinc/26/77/48/655267748.db2.gz BYCINPJCTRGNHQ-NWDGAFQWSA-N 1 0 385.249 2.992 10 0 GFAERO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000120172512 655330185 /nfs/dbraw/zinc/33/01/85/655330185.db2.gz MJSKQCOAUKNCAC-KGLIPLIRSA-N 1 0 380.535 2.550 10 0 GFAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(I)c(Cl)c1 ZINC000189746634 655387977 /nfs/dbraw/zinc/38/79/77/655387977.db2.gz LZTAXWOKKHWAFZ-PELKAZGASA-N 1 0 378.641 2.815 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cn1ccc(=O)c2cccc(Br)c21 ZINC000246892070 655430781 /nfs/dbraw/zinc/43/07/81/655430781.db2.gz BOTNMHISWRRLAK-KGLIPLIRSA-N 1 0 376.298 2.890 10 0 GFAERO CN(C)C(=O)[C@H]([NH2+]C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)c1ccccc1 ZINC000328625380 212085820 /nfs/dbraw/zinc/08/58/20/212085820.db2.gz DCBJTEQDFIEMQW-SUMWQHHRSA-N 1 0 380.414 2.883 10 0 GFAERO Cc1nc(-c2ccccc2)[nH]c1C(=O)N[C@@H]1CCCN(C2CC[NH+](C)CC2)C1 ZINC000012305313 221177851 /nfs/dbraw/zinc/17/78/51/221177851.db2.gz ODSCXPJNOHUZCE-GOSISDBHSA-N 1 0 381.524 2.674 10 0 GFAERO Cc1cc2c(cc1C[N@H+](CCCN1CCOCC1)Cc1cccnc1)OCO2 ZINC000013569063 221274548 /nfs/dbraw/zinc/27/45/48/221274548.db2.gz JYUDDPFNEHOCOZ-UHFFFAOYSA-N 1 0 383.492 2.843 10 0 GFAERO COc1ccccc1CC[NH2+][C@H]1CCc2c(c(C(=O)N(C)C)nn2CC(C)C)C1 ZINC000014751113 221316445 /nfs/dbraw/zinc/31/64/45/221316445.db2.gz RXZNHCWRGBQLTK-SFHVURJKSA-N 1 0 398.551 2.939 10 0 GFAERO O=C(NCCC[NH+]1CCCC1)[C@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1 ZINC000065023614 136158604 /nfs/dbraw/zinc/15/86/04/136158604.db2.gz NAFLEPKHYYQTFM-FQEVSTJZSA-N 1 0 393.535 2.962 10 0 GFAERO c1ccc2c(c1)Cc1c(ncnc1N1CCC[C@H](C[NH+]3CCOCC3)C1)CO2 ZINC000095503778 136180113 /nfs/dbraw/zinc/18/01/13/136180113.db2.gz JOCDFRCFUKNBCB-QGZVFWFLSA-N 1 0 380.492 2.508 10 0 GFAERO CCc1ncnc(N2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c1F ZINC000095525610 136181409 /nfs/dbraw/zinc/18/14/09/136181409.db2.gz OEQWCVYHIRWFKP-MRXNPFEDSA-N 1 0 391.535 2.727 10 0 GFAERO O=c1cc(C(F)(F)F)nc(NCCC[NH+]2CCN(c3ccc(F)cc3)CC2)[nH]1 ZINC000057342619 527474129 /nfs/dbraw/zinc/47/41/29/527474129.db2.gz BMDGGJCHEVCUAR-UHFFFAOYSA-N 1 0 399.392 2.552 10 0 GFAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(I)c(Cl)c1 ZINC000226791899 553061824 /nfs/dbraw/zinc/06/18/24/553061824.db2.gz VVBOTHHQQXNMKX-JTQLQIEISA-N 1 0 378.641 2.769 10 0 GFAERO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1ccccc1Br)c1ccccc1 ZINC000049379017 551158626 /nfs/dbraw/zinc/15/86/26/551158626.db2.gz PBWPPIZAOOYFIW-MRXNPFEDSA-N 1 0 390.281 2.807 10 0 GFAERO CC[C@H]1CN(Cc2cnc3ccc(Br)cn23)CC[N@@H+]1CCOC ZINC000120915773 551222734 /nfs/dbraw/zinc/22/27/34/551222734.db2.gz YDJFXIHEYSMYGX-HNNXBMFYSA-N 1 0 381.318 2.639 10 0 GFAERO O=C(Cc1ccccc1I)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000123176372 551304019 /nfs/dbraw/zinc/30/40/19/551304019.db2.gz OOJPJRAIORESJT-CQSZACIVSA-N 1 0 384.261 2.530 10 0 GFAERO CC[C@@H](O)C[NH+]1CCN(CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000123581817 551307040 /nfs/dbraw/zinc/30/70/40/551307040.db2.gz SRGXYYUOALRYKX-QGZVFWFLSA-N 1 0 381.314 2.613 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000126771693 551332820 /nfs/dbraw/zinc/33/28/20/551332820.db2.gz MSJCYZLEDIFIIZ-LBPRGKRZSA-N 1 0 392.363 2.524 10 0 GFAERO C[NH+](C)[C@H]1CCN(C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000135335277 551387037 /nfs/dbraw/zinc/38/70/37/551387037.db2.gz NWLFRSIOGCHUQW-IRXDYDNUSA-N 1 0 380.330 2.749 10 0 GFAERO Cc1nc([C@@]2(c3cccc(Br)c3)NC(=[NH2+])N3CCCN=C32)cs1 ZINC000142536074 551395209 /nfs/dbraw/zinc/39/52/09/551395209.db2.gz OEZBORDLRRNNBF-MRXNPFEDSA-N 1 0 390.310 2.890 10 0 GFAERO C[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1Br ZINC000149033450 551399157 /nfs/dbraw/zinc/39/91/57/551399157.db2.gz GWVWUJHALRBOJK-QWHCGFSZSA-N 1 0 375.332 2.771 10 0 GFAERO CCOCC[N@@H+]1CCN(C[C@H](O)c2ccccc2Br)C[C@@H]1CC ZINC000152943140 551443330 /nfs/dbraw/zinc/44/33/30/551443330.db2.gz BOQPHLJLXSQVQH-YJBOKZPZSA-N 1 0 385.346 2.915 10 0 GFAERO C[NH+](C)C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CCO1 ZINC000155252144 551495811 /nfs/dbraw/zinc/49/58/11/551495811.db2.gz ANTPKIPVXJRPLX-GFCCVEGCSA-N 1 0 379.810 2.560 10 0 GFAERO Cc1nn(-c2ccc(Br)cc2)cc1CN1CCO[C@H](C[NH+](C)C)C1 ZINC000156637767 551526268 /nfs/dbraw/zinc/52/62/68/551526268.db2.gz INHGYMFRRFYPLN-GOSISDBHSA-N 1 0 393.329 2.706 10 0 GFAERO C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000170866814 551641865 /nfs/dbraw/zinc/64/18/65/551641865.db2.gz KXJLVALJCUVQDC-BBRMVZONSA-N 1 0 384.307 2.761 10 0 GFAERO Cc1nc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)nn1-c1c(Cl)cccc1Cl ZINC000170877306 551642235 /nfs/dbraw/zinc/64/22/35/551642235.db2.gz TVOMZESRSFXCOM-GFCCVEGCSA-N 1 0 380.279 2.803 10 0 GFAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000172621530 551683532 /nfs/dbraw/zinc/68/35/32/551683532.db2.gz ZOHPALJZGRJSGP-KBPBESRZSA-N 1 0 384.307 2.947 10 0 GFAERO CC[C@@H]1CN(C(=O)Cc2cc(Br)ccc2OC)CC[N@@H+]1CCOC ZINC000173807208 552092692 /nfs/dbraw/zinc/09/26/92/552092692.db2.gz ZJDJVRIERRCNQB-MRXNPFEDSA-N 1 0 399.329 2.569 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000173883696 552095233 /nfs/dbraw/zinc/09/52/33/552095233.db2.gz MEXISAVLXHBZNW-MFKMUULPSA-N 1 0 379.295 2.595 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(Br)ccc1F ZINC000175398646 552120891 /nfs/dbraw/zinc/12/08/91/552120891.db2.gz RMQRXCDMPVNOKX-GFCCVEGCSA-N 1 0 379.295 2.693 10 0 GFAERO C[C@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1Br ZINC000175569209 552125101 /nfs/dbraw/zinc/12/51/01/552125101.db2.gz AVGJTTZQNRFOJK-LSDHHAIUSA-N 1 0 396.329 2.874 10 0 GFAERO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000175893026 552131579 /nfs/dbraw/zinc/13/15/79/552131579.db2.gz DVSFORACCUSEEB-GFCCVEGCSA-N 1 0 390.281 2.601 10 0 GFAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2sccc2Br)CC1 ZINC000176868876 552147878 /nfs/dbraw/zinc/14/78/78/552147878.db2.gz ITKZJTAAYIXNDA-NSHDSACASA-N 1 0 375.332 2.675 10 0 GFAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cc(Br)ccc2F)CC1 ZINC000176868380 552147953 /nfs/dbraw/zinc/14/79/53/552147953.db2.gz PFDRPTLVSYIGFE-LBPRGKRZSA-N 1 0 387.293 2.753 10 0 GFAERO CN(Cc1ccccc1Br)C(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177774386 552158814 /nfs/dbraw/zinc/15/88/14/552158814.db2.gz BKWWXZKFKLIRFK-MRXNPFEDSA-N 1 0 380.330 2.578 10 0 GFAERO COC(=O)Cn1cc(CC[NH2+][C@H](C)c2c(Cl)ccc(F)c2Cl)nn1 ZINC000179543152 552196106 /nfs/dbraw/zinc/19/61/06/552196106.db2.gz BEKCHBGGPLLWJG-SECBINFHSA-N 1 0 375.231 2.790 10 0 GFAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000180353754 552223545 /nfs/dbraw/zinc/22/35/45/552223545.db2.gz UNWCIMLYRFCUCV-SJCJKPOMSA-N 1 0 389.323 2.578 10 0 GFAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2ccc(Br)c(Cl)c2)CCO1 ZINC000181247831 552251312 /nfs/dbraw/zinc/25/13/12/552251312.db2.gz KSZDHUTXXKTCND-NSHDSACASA-N 1 0 376.682 2.897 10 0 GFAERO COc1cc(Br)ccc1CCC[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000181850989 552269408 /nfs/dbraw/zinc/26/94/08/552269408.db2.gz AKGKPEXKOMHGLN-QGZVFWFLSA-N 1 0 394.313 2.988 10 0 GFAERO CC(C)COC[C@@H](O)C[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186127180 552379751 /nfs/dbraw/zinc/37/97/51/552379751.db2.gz HXRHICZTCFGKBJ-ROUUACIJSA-N 1 0 394.313 2.952 10 0 GFAERO CCCNC(=O)CC[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186122589 552379846 /nfs/dbraw/zinc/37/98/46/552379846.db2.gz GSPPLHKNIUJSRV-KRWDZBQOSA-N 1 0 377.286 2.834 10 0 GFAERO O[C@@]1(C[NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)CCSC1 ZINC000186233328 552382667 /nfs/dbraw/zinc/38/26/67/552382667.db2.gz CYCBMDCEAGOIPN-JKSUJKDBSA-N 1 0 380.311 2.786 10 0 GFAERO Cc1sc2[nH]c(CN3C[C@@H](c4ccsc4)[C@H](CO)C3)nc(=O)c2c1C ZINC000188079960 552434141 /nfs/dbraw/zinc/43/41/41/552434141.db2.gz CLPUWPJDGNSSAO-KBPBESRZSA-N 1 0 375.519 2.871 10 0 GFAERO CC[C@H]1CN(C(=O)C2(c3ccccc3Br)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000188660854 552451448 /nfs/dbraw/zinc/45/14/48/552451448.db2.gz ZYXJWJNIHSGVEB-CABCVRRESA-N 1 0 395.341 2.784 10 0 GFAERO Cc1csc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1I ZINC000191650961 552533898 /nfs/dbraw/zinc/53/38/98/552533898.db2.gz JWGSGEUQSRVCBI-QWRGUYRKSA-N 1 0 390.290 2.970 10 0 GFAERO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195338611 553045560 /nfs/dbraw/zinc/04/55/60/553045560.db2.gz IDRZJNUAISVVCV-ZDUSSCGKSA-N 1 0 375.270 2.759 10 0 GFAERO O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195505396 553051066 /nfs/dbraw/zinc/05/10/66/553051066.db2.gz PXQFMTUGIXFOFZ-OAHLLOKOSA-N 1 0 380.286 2.792 10 0 GFAERO Cc1sc(Br)cc1S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000227318755 553062632 /nfs/dbraw/zinc/06/26/32/553062632.db2.gz YTYLEGQOZPKNAK-MWLCHTKSSA-N 1 0 379.345 2.676 10 0 GFAERO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246464447 553107621 /nfs/dbraw/zinc/10/76/21/553107621.db2.gz PQENXKCWGIZYIR-DOMZBBRYSA-N 1 0 382.302 2.541 10 0 GFAERO Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)ccc1Br ZINC000246557233 553110182 /nfs/dbraw/zinc/11/01/82/553110182.db2.gz WJJQAJMOORKPBD-IUODEOHRSA-N 1 0 382.302 2.541 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000246734880 553112104 /nfs/dbraw/zinc/11/21/04/553112104.db2.gz ASLVZINDOYVONH-DJSGYFEHSA-N 1 0 381.929 2.988 10 0 GFAERO Cc1ccc(I)c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000246832719 553114448 /nfs/dbraw/zinc/11/44/48/553114448.db2.gz CUWWOPKPLFVZBW-CHWSQXEVSA-N 1 0 384.261 2.908 10 0 GFAERO C[C@H]1CN([C@H](CNC(=O)NCCc2cscn2)c2cccs2)CCO1 ZINC000247548252 553124022 /nfs/dbraw/zinc/12/40/22/553124022.db2.gz QQTRNPQLKSQYHC-DZGCQCFKSA-N 1 0 380.539 2.508 10 0 GFAERO CCOCC[N@@H+]1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000247734255 553125225 /nfs/dbraw/zinc/12/52/25/553125225.db2.gz MNSVEHXPACIASW-GDBMZVCRSA-N 1 0 391.339 2.776 10 0 GFAERO CC[C@H]1CN(C(=O)CCc2ccc(Br)cc2)CC[N@@H+]1C[C@H](C)O ZINC000248371032 553128783 /nfs/dbraw/zinc/12/87/83/553128783.db2.gz YFIQECYTZSSGLW-YOEHRIQHSA-N 1 0 383.330 2.685 10 0 GFAERO O=C(CN1CC[N@@H+]2CCCC[C@H]2C1)Nc1c(F)cc(F)cc1Br ZINC000248369173 553128945 /nfs/dbraw/zinc/12/89/45/553128945.db2.gz VZBNFFQAXHVHBB-LBPRGKRZSA-N 1 0 388.256 2.836 10 0 GFAERO CC[C@@H]1CN(C(=O)NCc2ccc(Br)cc2C)CC[N@@H+]1C[C@H](C)O ZINC000248483572 553130658 /nfs/dbraw/zinc/13/06/58/553130658.db2.gz JMTRKQSYLNIQTM-WMLDXEAASA-N 1 0 398.345 2.744 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)c2ccc(Br)cc2)C[C@@H]1C ZINC000248621339 553131912 /nfs/dbraw/zinc/13/19/12/553131912.db2.gz NAAWJSXPBCVQOA-IHRRRGAJSA-N 1 0 384.318 2.607 10 0 GFAERO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248878719 553136918 /nfs/dbraw/zinc/13/69/18/553136918.db2.gz OTNASMZTJZLASN-WQGACYEGSA-N 1 0 375.296 2.594 10 0 GFAERO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000249195424 553140966 /nfs/dbraw/zinc/14/09/66/553140966.db2.gz QHAKKOFUEZBCEM-IIAWOOMASA-N 1 0 379.444 2.922 10 0 GFAERO C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249603350 553144837 /nfs/dbraw/zinc/14/48/37/553144837.db2.gz YXZSBGIDFSIBHC-COXVUDFISA-N 1 0 376.547 2.791 10 0 GFAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3c(F)ccc(I)c3F)C[C@@H]12 ZINC000262045423 553164502 /nfs/dbraw/zinc/16/45/02/553164502.db2.gz YXMOYNRHGUIXJG-IGJMFERPSA-N 1 0 378.204 2.739 10 0 GFAERO Clc1ccc(I)c(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)c1 ZINC000405321812 563538577 /nfs/dbraw/zinc/53/85/77/563538577.db2.gz ZOKQCMFOGUUQSO-ZIAGYGMSSA-N 1 0 392.668 2.507 10 0 GFAERO C[C@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@@H]1C[NH3+] ZINC000638897558 565216951 /nfs/dbraw/zinc/21/69/51/565216951.db2.gz BEWXZXLFEIDLRZ-IUCAKERBSA-N 1 0 376.092 2.878 10 0 GFAERO CN1C[C@H](C[NH2+]Cc2cc(Cl)ccc2I)CC1=O ZINC000594982759 565439948 /nfs/dbraw/zinc/43/99/48/565439948.db2.gz GKCBPFYCZWQPSM-VIFPVBQESA-N 1 0 378.641 2.513 10 0 GFAERO COC1(c2nc(Cc3ccccc3)no2)CC[NH+](Cc2cn(C)nc2C)CC1 ZINC000284610137 570885257 /nfs/dbraw/zinc/88/52/57/570885257.db2.gz XHSJMKZZMJPCCT-UHFFFAOYSA-N 1 0 381.480 2.840 10 0 GFAERO O[C@H](COCc1ccc(Cl)cc1)C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000058578208 654820171 /nfs/dbraw/zinc/82/01/71/654820171.db2.gz AELISDKANPKJIW-INIZCTEOSA-N 1 0 380.838 2.788 10 0 GFAERO CC[C@H](Cc1ccccc1Br)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000134365738 654992032 /nfs/dbraw/zinc/99/20/32/654992032.db2.gz YUOUEDLWKTUCNZ-ZBFHGGJFSA-N 1 0 383.330 2.807 10 0 GFAERO C[NH+](C)C[C@@H](NC(=O)c1cnn2cc(Br)cnc12)c1ccccc1 ZINC000093907732 655022387 /nfs/dbraw/zinc/02/23/87/655022387.db2.gz NIYAUKLBUCBKTB-OAHLLOKOSA-N 1 0 388.269 2.525 10 0 GFAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CSc1nnc(-c2cccs2)n1C ZINC000102637799 655056957 /nfs/dbraw/zinc/05/69/57/655056957.db2.gz ZIQDMRQIHKWGJR-CYBMUJFWSA-N 1 0 381.571 2.728 10 0 GFAERO C[NH+](C)C[C@H]1CN(Cn2ccc(-c3ccc(Br)cc3)n2)CCO1 ZINC000160647510 655123516 /nfs/dbraw/zinc/12/35/16/655123516.db2.gz SEJDJYGBUQFUBG-INIZCTEOSA-N 1 0 379.302 2.533 10 0 GFAERO CCc1nc2n(n1)C[C@H]([NH2+]CC1=Cc3cc(Br)ccc3OC1)CC2 ZINC000109073080 655141730 /nfs/dbraw/zinc/14/17/30/655141730.db2.gz HSHXVBMCJYNWPY-OAHLLOKOSA-N 1 0 389.297 2.983 10 0 GFAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)CCO1 ZINC000116782950 655253270 /nfs/dbraw/zinc/25/32/70/655253270.db2.gz ZJMWQLDWUACOGS-CQSZACIVSA-N 1 0 383.279 2.582 10 0 GFAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc(Br)cc2F)CC1 ZINC000176887182 655258928 /nfs/dbraw/zinc/25/89/28/655258928.db2.gz XSYPFXDZMHEHEJ-LBPRGKRZSA-N 1 0 387.293 2.753 10 0 GFAERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000180044702 655321425 /nfs/dbraw/zinc/32/14/25/655321425.db2.gz VCYIGRGMBXHKLS-NWDGAFQWSA-N 1 0 375.878 2.564 10 0 GFAERO [NH3+][C@H]1CCCN(S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)C1 ZINC000193225208 655408909 /nfs/dbraw/zinc/40/89/09/655408909.db2.gz RSMDNJSLRSGVQP-ZETCQYMHSA-N 1 0 388.114 2.868 10 0 GFAERO Brc1csc(-c2noc(-c3ncn([C@H]4CCC[NH2+]C4)n3)n2)c1 ZINC000261791503 655442356 /nfs/dbraw/zinc/44/23/56/655442356.db2.gz OOCFXUYHUAHKKL-VIFPVBQESA-N 1 0 381.259 2.744 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]Cc2csc(Br)c2)C1 ZINC000702765914 655521767 /nfs/dbraw/zinc/52/17/67/655521767.db2.gz STECWJDFJADCKJ-NWDGAFQWSA-N 1 0 391.331 2.828 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@@H](C[NH2+]Cc2ccc(Br)cc2)[C@H](O)C1 ZINC000702781910 655521851 /nfs/dbraw/zinc/52/18/51/655521851.db2.gz AAYZLCADZGXICY-UKRRQHHQSA-N 1 0 385.302 2.767 10 0 GFAERO COc1c(Br)cc(C[NH2+]C2CC(C(N)=O)C2)cc1Br ZINC000716791475 655523843 /nfs/dbraw/zinc/52/38/43/655523843.db2.gz WHWCRNKFORUPQG-UHFFFAOYSA-N 1 0 392.091 2.574 10 0 GFAERO [NH3+][C@@H](CNC(=O)c1ccc(F)cc1)c1ccc(C(=O)Nc2ccncc2)cc1 ZINC000090558133 212151357 /nfs/dbraw/zinc/15/13/57/212151357.db2.gz YMDMEDJJJCJVIT-IBGZPJMESA-N 1 0 378.407 2.903 10 0 GFAERO CN1CCO[C@@H](C[NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000394665780 563530041 /nfs/dbraw/zinc/53/00/41/563530041.db2.gz ZGRUIMANAFZRLU-ZDUSSCGKSA-N 1 0 378.108 2.632 10 0 GFAERO Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]CCCc1ccccc1)C2 ZINC000014744542 221315475 /nfs/dbraw/zinc/31/54/75/221315475.db2.gz OEVVWLBAFLPCOG-SFHVURJKSA-N 1 0 398.576 2.689 10 0 GFAERO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]CCc1ccccc1)C2 ZINC000014745856 221315697 /nfs/dbraw/zinc/31/56/97/221315697.db2.gz FFBUZFVQHFFBAA-SFHVURJKSA-N 1 0 398.576 2.782 10 0 GFAERO CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@@H]([NH2+]C1Cc3ccccc3C1)C2 ZINC000014755326 221316376 /nfs/dbraw/zinc/31/63/76/221316376.db2.gz HSOJBRYBHQIIEU-GOSISDBHSA-N 1 0 380.536 2.855 10 0 GFAERO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000015942364 221353444 /nfs/dbraw/zinc/35/34/44/221353444.db2.gz NFHUXVZCBSBRLW-SFTDATJTSA-N 1 0 385.552 2.848 10 0 GFAERO CCOc1cccc([C@H]2[NH2+][C@](CO)(Cc3ccc(O)cc3)[C@H]3CN(C)C[C@H]32)c1 ZINC000065488816 222131804 /nfs/dbraw/zinc/13/18/04/222131804.db2.gz RYNOTAPGZXJFKC-ACESQOTJSA-N 1 0 382.504 2.587 10 0 GFAERO O=c1c2sccc2nc(N2CC[NH2+]CC2)n1Cc1ccc(F)cc1Cl ZINC000057344440 527472243 /nfs/dbraw/zinc/47/22/43/527472243.db2.gz LERSXJJXQKJNLF-UHFFFAOYSA-N 1 0 378.860 2.708 10 0 GFAERO CCC[NH+]1CCN(Cc2nc(-c3ccc(N4CCC(C)CC4)nc3)no2)CC1 ZINC000065216151 534929457 /nfs/dbraw/zinc/92/94/57/534929457.db2.gz DWZBKXPBOINAFI-UHFFFAOYSA-N 1 0 384.528 2.896 10 0 GFAERO CC[C@H](C)n1ncn(-c2ccccc2N2CC[NH2+]C[C@@H]2c2ccc(O)cc2)c1=O ZINC000049588654 536047863 /nfs/dbraw/zinc/04/78/63/536047863.db2.gz XNFBJDRHEJLNRV-HRAATJIYSA-N 1 0 393.491 2.862 10 0 GFAERO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1ccc(Br)cc1)c1ccccc1 ZINC000049379022 551158465 /nfs/dbraw/zinc/15/84/65/551158465.db2.gz CQXLZGCRVRVIAF-INIZCTEOSA-N 1 0 390.281 2.807 10 0 GFAERO CCCCN(C(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000128484889 551349701 /nfs/dbraw/zinc/34/97/01/551349701.db2.gz LEPOYUXWJKYUBH-WMLDXEAASA-N 1 0 386.945 2.806 10 0 GFAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000136979670 551390383 /nfs/dbraw/zinc/39/03/83/551390383.db2.gz COIBGGBZCMKLMI-CVEARBPZSA-N 1 0 386.334 2.758 10 0 GFAERO C[C@@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1Br ZINC000148964350 551398240 /nfs/dbraw/zinc/39/82/40/551398240.db2.gz GWVWUJHALRBOJK-CHWSQXEVSA-N 1 0 375.332 2.771 10 0 GFAERO C[C@H](Cc1ccccc1Br)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000152641964 551437412 /nfs/dbraw/zinc/43/74/12/551437412.db2.gz NUCLRPSRDDGASO-GDBMZVCRSA-N 1 0 398.345 2.526 10 0 GFAERO Cc1nn(-c2ccc(Br)cc2)cc1CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000156637890 551526192 /nfs/dbraw/zinc/52/61/92/551526192.db2.gz INHGYMFRRFYPLN-SFHVURJKSA-N 1 0 393.329 2.706 10 0 GFAERO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000159091470 551560820 /nfs/dbraw/zinc/56/08/20/551560820.db2.gz MXKGUIYHNSUCNR-OKILXGFUSA-N 1 0 381.519 2.905 10 0 GFAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000161826706 551598995 /nfs/dbraw/zinc/59/89/95/551598995.db2.gz PILZWJYCALAJQK-WFASDCNBSA-N 1 0 387.933 2.540 10 0 GFAERO Cc1c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cnn1-c1cccc(Br)c1 ZINC000171712625 551661482 /nfs/dbraw/zinc/66/14/82/551661482.db2.gz HTEQQCRBLASQET-INIZCTEOSA-N 1 0 389.297 2.863 10 0 GFAERO O=C(c1ccc(I)c(Cl)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000176282560 552137709 /nfs/dbraw/zinc/13/77/09/552137709.db2.gz NNYWYJRLUYVLLX-NSHDSACASA-N 1 0 390.652 2.865 10 0 GFAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000177708081 552157137 /nfs/dbraw/zinc/15/71/37/552157137.db2.gz YKFSUVBNKBAYNQ-CQSZACIVSA-N 1 0 388.375 2.885 10 0 GFAERO COc1cc(C)c(Br)cc1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000184582326 552339405 /nfs/dbraw/zinc/33/94/05/552339405.db2.gz PVMAKJYMRIKPFA-LBPRGKRZSA-N 1 0 386.290 2.560 10 0 GFAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCc2ccccc2Br)CC1 ZINC000184979534 552350327 /nfs/dbraw/zinc/35/03/27/552350327.db2.gz HGLIIECTRJTBIW-AWEZNQCLSA-N 1 0 398.345 2.683 10 0 GFAERO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1)CC2 ZINC000186165768 552380724 /nfs/dbraw/zinc/38/07/24/552380724.db2.gz BOISDVBYUYSVFW-AEFFLSMTSA-N 1 0 399.296 2.833 10 0 GFAERO CCO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)C12CCOCC2 ZINC000186287113 552384014 /nfs/dbraw/zinc/38/40/14/552384014.db2.gz XKKCPMXFRIMJMJ-CVEARBPZSA-N 1 0 397.313 2.951 10 0 GFAERO COc1cc(Br)ccc1CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000187855130 552426755 /nfs/dbraw/zinc/42/67/55/552426755.db2.gz WIVOIPYNSKNDLD-IUODEOHRSA-N 1 0 382.302 2.836 10 0 GFAERO CCN1CCC[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000188706750 552452583 /nfs/dbraw/zinc/45/25/83/552452583.db2.gz SQBORIWBMLIKFH-KRWDZBQOSA-N 1 0 382.346 2.860 10 0 GFAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2cn3ccnc3s2)C1 ZINC000189245424 552466594 /nfs/dbraw/zinc/46/65/94/552466594.db2.gz ZUHFMOBEMJCXMJ-ZDUSSCGKSA-N 1 0 375.523 2.755 10 0 GFAERO C[C@H]([NH2+]CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)c1cccs1 ZINC000192866306 552976694 /nfs/dbraw/zinc/97/66/94/552976694.db2.gz QLDJYFSVOBPHKJ-HOCLYGCPSA-N 1 0 384.567 2.747 10 0 GFAERO COCC[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc(Br)c2)CC1 ZINC000195141162 553039331 /nfs/dbraw/zinc/03/93/31/553039331.db2.gz SPXSRGYHNMWYSU-ZDUSSCGKSA-N 1 0 384.318 2.920 10 0 GFAERO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@H]1[NH+](C)C ZINC000229729081 553064270 /nfs/dbraw/zinc/06/42/70/553064270.db2.gz PERRWQTXOMFLOC-NOZJJQNGSA-N 1 0 392.668 2.967 10 0 GFAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cc(Cl)ccc1I ZINC000221953681 553055175 /nfs/dbraw/zinc/05/51/75/553055175.db2.gz LXQYNTXKLKLDSM-SNVBAGLBSA-N 1 0 392.668 2.968 10 0 GFAERO CC[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C)CC[N@@H+]1C[C@H](C)O ZINC000245533236 553092233 /nfs/dbraw/zinc/09/22/33/553092233.db2.gz VEKXBQAIBRLNQJ-WMLDXEAASA-N 1 0 383.330 2.604 10 0 GFAERO NC(=O)[C@@H](c1ccc(Br)cc1)N1CC[C@H](CNc2ccccn2)C1 ZINC000245928676 553099641 /nfs/dbraw/zinc/09/96/41/553099641.db2.gz XRXYUUSAIPETOS-CXAGYDPISA-N 1 0 389.297 2.805 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(Br)s1 ZINC000246074567 553101634 /nfs/dbraw/zinc/10/16/34/553101634.db2.gz FIPZUUHTMIBKJV-QWRGUYRKSA-N 1 0 379.345 2.758 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000246238954 553104805 /nfs/dbraw/zinc/10/48/05/553104805.db2.gz RKDZCZMSQUPGQC-STQMWFEESA-N 1 0 378.416 2.833 10 0 GFAERO O[C@H](COc1cccc(Br)c1)CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000246292789 553106023 /nfs/dbraw/zinc/10/60/23/553106023.db2.gz VJPPGJMVWOWSGD-IRXDYDNUSA-N 1 0 383.330 2.749 10 0 GFAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000246863732 553114495 /nfs/dbraw/zinc/11/44/95/553114495.db2.gz DILMQJLWIMISHU-KBPBESRZSA-N 1 0 395.297 2.919 10 0 GFAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000247313504 553120715 /nfs/dbraw/zinc/12/07/15/553120715.db2.gz OEDCUHXOROVKQE-GUYCJALGSA-N 1 0 389.297 2.944 10 0 GFAERO COc1ccc(Br)cc1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247458465 553121800 /nfs/dbraw/zinc/12/18/00/553121800.db2.gz QOZGQCRQWHBRHD-DOMZBBRYSA-N 1 0 382.302 2.836 10 0 GFAERO CC[C@H]1CN([C@H](C)C(=O)Nc2cccc(Br)c2)CC[N@@H+]1CCOC ZINC000247543835 553123562 /nfs/dbraw/zinc/12/35/62/553123562.db2.gz DHGYUBVNUNVKHZ-PBHICJAKSA-N 1 0 398.345 2.819 10 0 GFAERO CC[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000247539385 553123600 /nfs/dbraw/zinc/12/36/00/553123600.db2.gz CWHOOLXGSSEOGW-NUEKZKHPSA-N 1 0 391.339 2.510 10 0 GFAERO C[C@H](O)C[N@@H+]1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000247813704 553125558 /nfs/dbraw/zinc/12/55/58/553125558.db2.gz VPSSGILZUPUFIB-IHRRRGAJSA-N 1 0 388.339 2.558 10 0 GFAERO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248450400 553129949 /nfs/dbraw/zinc/12/99/49/553129949.db2.gz OYAQYJWGEJYFEU-MKBNYLNASA-N 1 0 375.296 2.594 10 0 GFAERO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)[C@@H]1CCCO1 ZINC000248628284 553131629 /nfs/dbraw/zinc/13/16/29/553131629.db2.gz VTAMAAHCGFTOGO-SUHUHFCYSA-N 1 0 378.694 2.999 10 0 GFAERO Cc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000249150984 553140390 /nfs/dbraw/zinc/14/03/90/553140390.db2.gz XDQKFYCQIISTBG-IUODEOHRSA-N 1 0 382.302 2.541 10 0 GFAERO Cn1cc([C@H]2CC[N@@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)cn1 ZINC000249300719 553141674 /nfs/dbraw/zinc/14/16/74/553141674.db2.gz LPBSTPQYYSHXTI-GUYCJALGSA-N 1 0 389.297 2.777 10 0 GFAERO Clc1ccc(I)c(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)c1 ZINC000405321803 563538679 /nfs/dbraw/zinc/53/86/79/563538679.db2.gz ZOKQCMFOGUUQSO-KBPBESRZSA-N 1 0 392.668 2.507 10 0 GFAERO O=C(Nc1cccc(I)c1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000593903303 565366015 /nfs/dbraw/zinc/36/60/15/565366015.db2.gz ZEAAGZMKEMIUGK-NXEZZACHSA-N 1 0 384.139 2.628 10 0 GFAERO CCOC(=O)N1CCC([N@@H+]2CCCn3nc([C@@H](O)C4CCC4)cc3C2)CC1 ZINC000222972420 570433984 /nfs/dbraw/zinc/43/39/84/570433984.db2.gz XYCHZOISUKQURT-IBGZPJMESA-N 1 0 376.501 2.543 10 0 GFAERO CCOc1cc(CN2CCO[C@@H](C[NH+](C)C)C2)cc(Br)c1OC ZINC000128048570 654840576 /nfs/dbraw/zinc/84/05/76/654840576.db2.gz WTHBBTRLIQHTRP-AWEZNQCLSA-N 1 0 387.318 2.619 10 0 GFAERO O[C@H](COc1cccc(Br)c1)CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000066534766 654905443 /nfs/dbraw/zinc/90/54/43/654905443.db2.gz VJPPGJMVWOWSGD-SJORKVTESA-N 1 0 383.330 2.749 10 0 GFAERO Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000134209241 654986302 /nfs/dbraw/zinc/98/63/02/654986302.db2.gz BHCINMVVKOLUAK-ZDUSSCGKSA-N 1 0 388.942 2.814 10 0 GFAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000096537650 655031464 /nfs/dbraw/zinc/03/14/64/655031464.db2.gz ALIOEFNLTOMJNK-ZYHUDNBSSA-N 1 0 393.734 2.960 10 0 GFAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000112548410 655193348 /nfs/dbraw/zinc/19/33/48/655193348.db2.gz HPJMASYMRPBYBJ-CMPLNLGQSA-N 1 0 379.810 2.606 10 0 GFAERO COc1ccc(Br)cc1CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000176520763 655249291 /nfs/dbraw/zinc/24/92/91/655249291.db2.gz LPPYPPIGOGXOMV-DOMZBBRYSA-N 1 0 384.318 2.986 10 0 GFAERO C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116783679 655253240 /nfs/dbraw/zinc/25/32/40/655253240.db2.gz ISFJLGBJYAPCGO-OCCSQVGLSA-N 1 0 387.343 2.719 10 0 GFAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000176890278 655259174 /nfs/dbraw/zinc/25/91/74/655259174.db2.gz UHQDIHKBUCFLLJ-CYBMUJFWSA-N 1 0 389.323 2.923 10 0 GFAERO COCC[N@@H+]1CCN(Cn2nc(-c3ccc(Cl)cc3)[nH]c2=S)C[C@H]1C ZINC000117322966 655264199 /nfs/dbraw/zinc/26/41/99/655264199.db2.gz RKCKMSXXXPWZJI-CYBMUJFWSA-N 1 0 381.933 2.871 10 0 GFAERO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1O ZINC000181563179 655338927 /nfs/dbraw/zinc/33/89/27/655338927.db2.gz UPCUXSGBEWOCBQ-JTQLQIEISA-N 1 0 382.869 2.746 10 0 GFAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(I)cc1Cl ZINC000193507585 655410752 /nfs/dbraw/zinc/41/07/52/655410752.db2.gz VXGUXUPFSOMEHT-QPUJVOFHSA-N 1 0 378.641 2.815 10 0 GFAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(I)c(Cl)c1 ZINC000226270643 655422635 /nfs/dbraw/zinc/42/26/35/655422635.db2.gz ZBHYOESVNRSIHF-CABZTGNLSA-N 1 0 378.641 2.802 10 0 GFAERO C[NH2+][C@@H](C)CNC(=O)c1c(C)nn(Cc2cccc(Br)c2)c1C ZINC000261643251 655441575 /nfs/dbraw/zinc/44/15/75/655441575.db2.gz DKEHLZIJVPOYII-NSHDSACASA-N 1 0 379.302 2.648 10 0 GFAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)/C=C\c2ccc(I)o2)C1 ZINC000263635689 655452729 /nfs/dbraw/zinc/45/27/29/655452729.db2.gz AXSBJLAGNKEWJP-HHQZKXIDSA-N 1 0 388.249 2.742 10 0 GFAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C[NH2+]Cc2ccc(Br)cc2)C1 ZINC000702781913 655521843 /nfs/dbraw/zinc/52/18/43/655521843.db2.gz AAYZLCADZGXICY-ZFWWWQNUSA-N 1 0 385.302 2.767 10 0 GFAERO