smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)c1ccc(Cl)cc1[O-] ZINC000841759543 1032551572 /nfs/dbraw/zinc/55/15/72/1032551572.db2.gz ZOFVOXLRSAVAED-SJCJKPOMSA-N 0 1 336.838 4.138 20 10 EICDMN CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(Cl)cc(C(C)=O)c1O ZINC001167054372 1018968400 /nfs/dbraw/zinc/96/84/00/1018968400.db2.gz LCNXJFGISKDCCG-UHFFFAOYSA-N 0 1 347.842 4.279 20 10 EICDMN CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC001167054372 1018968416 /nfs/dbraw/zinc/96/84/16/1018968416.db2.gz LCNXJFGISKDCCG-UHFFFAOYSA-N 0 1 347.842 4.279 20 10 EICDMN CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC001167054372 1018968431 /nfs/dbraw/zinc/96/84/31/1018968431.db2.gz LCNXJFGISKDCCG-UHFFFAOYSA-N 0 1 347.842 4.279 20 10 EICDMN CC[C@@H]([NH2+][C@H]1CCCC[C@@H]1OC)c1cc(Br)ccc1[O-] ZINC000799729612 1019243426 /nfs/dbraw/zinc/24/34/26/1019243426.db2.gz PKAKFTGIDLIDMD-YCPHGPKFSA-N 0 1 342.277 4.153 20 10 EICDMN CC[C@@H](N[C@H](CC)c1ccc(C)cc1O)c1nnc2n1CCCCC2 ZINC000279940462 1033008743 /nfs/dbraw/zinc/00/87/43/1033008743.db2.gz BFDWXUQYCIMNLW-IAGOWNOFSA-N 0 1 342.487 4.211 20 10 EICDMN CC[C@@H](NCc1cc(COC(C)(C)C)on1)c1ccc(C)cc1O ZINC000279935427 1033015010 /nfs/dbraw/zinc/01/50/10/1033015010.db2.gz AYVCKJDQYBTJMV-QGZVFWFLSA-N 0 1 332.444 4.245 20 10 EICDMN COc1ccc(O)c([C@@H](C)NCc2ccsc2Br)c1 ZINC000282357019 1021942193 /nfs/dbraw/zinc/94/21/93/1021942193.db2.gz HJXZDJJWWVAPOD-SECBINFHSA-N 0 1 342.258 4.076 20 10 EICDMN CC[C@@H](C[NH2+]Cc1cc(Br)ccc1[O-])CC(F)(F)F ZINC000402595066 1023040935 /nfs/dbraw/zinc/04/09/35/1023040935.db2.gz LQWVZYXJMOZCAT-SECBINFHSA-N 0 1 340.183 4.223 20 10 EICDMN CC[C@H](NCc1nccn1CCc1ccccc1)c1ccccc1O ZINC000156272951 1023362771 /nfs/dbraw/zinc/36/27/71/1023362771.db2.gz IXFIHJCLOFYOBC-IBGZPJMESA-N 0 1 335.451 4.072 20 10 EICDMN COc1ccc(F)cc1CNCc1ccc(N2CCCCC2)cc1 ZINC000189213218 1023415303 /nfs/dbraw/zinc/41/53/03/1023415303.db2.gz XLVSCDZICOZHBS-UHFFFAOYSA-N 0 1 328.431 4.114 20 10 EICDMN CC[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000368687163 1023746652 /nfs/dbraw/zinc/74/66/52/1023746652.db2.gz IXGIYKQVYSVQRY-SKDRFNHKSA-N 0 1 340.254 4.020 20 10 EICDMN CN1CCc2cc(CNCc3ccc(CSC(F)F)o3)ccc21 ZINC000364454243 1023786361 /nfs/dbraw/zinc/78/63/61/1023786361.db2.gz YGYBBGFEOMQJRU-UHFFFAOYSA-N 0 1 338.423 4.018 20 10 EICDMN O=C(c1ccccc1)C1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000124003114 1023853447 /nfs/dbraw/zinc/85/34/47/1023853447.db2.gz XECKMMOFENUNOP-UHFFFAOYSA-N 0 1 329.827 4.141 20 10 EICDMN Oc1cccc(Cl)c1CNc1ccccc1CN1CCSCC1 ZINC000125207615 1024202808 /nfs/dbraw/zinc/20/28/08/1024202808.db2.gz MOONUOTXKINVQC-UHFFFAOYSA-N 0 1 348.899 4.207 20 10 EICDMN [O-]c1c(Br)cc(Cl)cc1C[NH+]1CCC(F)(F)CC1 ZINC000708074834 1026840745 /nfs/dbraw/zinc/84/07/45/1026840745.db2.gz HPDULRCBWNTLSC-UHFFFAOYSA-N 0 1 340.595 4.039 20 10 EICDMN CCN(Cc1cc(Cl)cc(Br)c1O)CC(F)(F)F ZINC000708141617 1027601768 /nfs/dbraw/zinc/60/17/68/1027601768.db2.gz TVTSHPUGRAFAFI-UHFFFAOYSA-N 0 1 346.574 4.192 20 10 EICDMN COc1ccc(OC)c([C@@H](C)NCc2c(C)c3ccccc3n2C)c1 ZINC000392975092 1030606075 /nfs/dbraw/zinc/60/60/75/1030606075.db2.gz CEFOLAUNRAYSFL-OAHLLOKOSA-N 0 1 338.451 4.355 20 10 EICDMN CCOc1ccccc1[C@H](CC)[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000179754850 1031283170 /nfs/dbraw/zinc/28/31/70/1031283170.db2.gz OUTIOKGSESWNTH-SFHVURJKSA-N 0 1 345.414 4.374 20 10 EICDMN Cc1cc(CN[C@H](C)c2ccc(Br)cn2)ccc1N(C)C ZINC000280208056 1035198616 /nfs/dbraw/zinc/19/86/16/1035198616.db2.gz TYQGGQSANIQBQY-CYBMUJFWSA-N 0 1 348.288 4.069 20 10 EICDMN C[C@@H](NCc1ccc(N(C)C2CCCCC2)cc1)c1cn(C)cn1 ZINC000924855791 1035619334 /nfs/dbraw/zinc/61/93/34/1035619334.db2.gz SEUQCSJACIWGAE-MRXNPFEDSA-N 0 1 326.488 4.040 20 10 EICDMN C[C@H](NCc1cc(Br)ccc1O)c1c(F)cccc1F ZINC000227438455 1035800001 /nfs/dbraw/zinc/80/00/01/1035800001.db2.gz MHHMKBNDIGCJRB-VIFPVBQESA-N 0 1 342.183 4.284 20 10 EICDMN COc1cc(Cl)cc(CN2C[C@H](C(F)(F)F)CC[C@H]2C)c1O ZINC000761217457 1036173845 /nfs/dbraw/zinc/17/38/45/1036173845.db2.gz VMHIRYSYGIBKGJ-MWLCHTKSSA-N 0 1 337.769 4.217 20 10 EICDMN CC[C@H]([NH2+]CC1CCSCC1)c1cc(Br)ccc1[O-] ZINC000229215505 1036898213 /nfs/dbraw/zinc/89/82/13/1036898213.db2.gz PRVAJKAMUFDLPT-AWEZNQCLSA-N 0 1 344.318 4.339 20 10 EICDMN C[C@H](NCc1ccc(N2CCSCC2)cc1)c1cc(F)ccc1F ZINC000163580831 1036992693 /nfs/dbraw/zinc/99/26/93/1036992693.db2.gz FZWLQMNJSQSBTC-AWEZNQCLSA-N 0 1 348.462 4.369 20 10 EICDMN C[C@H](NCc1c(F)cccc1OC(F)F)c1cc(F)ccc1O ZINC000273474218 1037478471 /nfs/dbraw/zinc/47/84/71/1037478471.db2.gz KHPOQHAYAQQZSO-VIFPVBQESA-N 0 1 329.293 4.123 20 10 EICDMN Cc1cc([C@@H](C)NCc2ccc(N3CCSCC3)cc2)oc1C ZINC000800477444 1038240651 /nfs/dbraw/zinc/24/06/51/1038240651.db2.gz VFRCWQIJPJQUAQ-OAHLLOKOSA-N 0 1 330.497 4.300 20 10 EICDMN CC[C@H](N[C@H](C)c1cscn1)c1cc(Br)ccc1O ZINC000697873330 1039880815 /nfs/dbraw/zinc/88/08/15/1039880815.db2.gz UYZIDJWITHHGST-SKDRFNHKSA-N 0 1 341.274 4.413 20 10 EICDMN CC[C@@H]([NH2+][C@H](C)C1CCOCC1)c1cc(Br)ccc1[O-] ZINC000156371680 1041443512 /nfs/dbraw/zinc/44/35/12/1041443512.db2.gz LTUBXXBIEQZKBV-IAQYHMDHSA-N 0 1 342.277 4.011 20 10 EICDMN CCCN(CC(=O)Nc1cc(Cl)ccc1C)Cc1ccccc1O ZINC000727831235 1043311674 /nfs/dbraw/zinc/31/16/74/1043311674.db2.gz PSHFHPKZCINJGA-UHFFFAOYSA-N 0 1 346.858 4.205 20 10 EICDMN CCOc1ccc(CC[NH2+]Cc2c([O-])cccc2Cl)cc1OCC ZINC000733323246 1044184633 /nfs/dbraw/zinc/18/46/33/1044184633.db2.gz SILJSBWFYKHWHH-UHFFFAOYSA-N 0 1 349.858 4.175 20 10 EICDMN CC[C@H]([NH2+]Cc1c([O-])cccc1Cl)c1ccc2c(c1)OCCO2 ZINC000733325504 1044191198 /nfs/dbraw/zinc/19/11/98/1044191198.db2.gz PNHSPKXZNXBBEK-HNNXBMFYSA-N 0 1 333.815 4.058 20 10 EICDMN [O-]c1ccc2ccncc2c1C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000734476859 1044586344 /nfs/dbraw/zinc/58/63/44/1044586344.db2.gz LRCRZCCLNNAXBH-UHFFFAOYSA-N 0 1 336.410 4.492 20 10 EICDMN [O-]c1ccc2ccncc2c1C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000734476859 1044586361 /nfs/dbraw/zinc/58/63/61/1044586361.db2.gz LRCRZCCLNNAXBH-UHFFFAOYSA-N 0 1 336.410 4.492 20 10 EICDMN COc1cc(C)cc(CNC2(c3c(F)cccc3F)CCC2)c1O ZINC000895416387 1044736234 /nfs/dbraw/zinc/73/62/34/1044736234.db2.gz VJHHEGZDCJEGAC-UHFFFAOYSA-N 0 1 333.378 4.156 20 10 EICDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H]1CCCCC1(F)F ZINC000706841573 1044788683 /nfs/dbraw/zinc/78/86/83/1044788683.db2.gz AAHOSAUXPRCYEJ-JTQLQIEISA-N 0 1 334.204 4.070 20 10 EICDMN C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000736596874 1044956406 /nfs/dbraw/zinc/95/64/06/1044956406.db2.gz UOIOBTPSSROIQS-PBHICJAKSA-N 0 1 336.410 4.458 20 10 EICDMN C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000736596874 1044956422 /nfs/dbraw/zinc/95/64/22/1044956422.db2.gz UOIOBTPSSROIQS-PBHICJAKSA-N 0 1 336.410 4.458 20 10 EICDMN CN(Cc1cnn(C)c1)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000915204800 1045180100 /nfs/dbraw/zinc/18/01/00/1045180100.db2.gz YAJDAGLRSPZCTR-UHFFFAOYSA-N 0 1 343.515 4.353 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000740900508 1045240915 /nfs/dbraw/zinc/24/09/15/1045240915.db2.gz SBJYTSPFZASMNL-CQSZACIVSA-N 0 1 346.641 4.176 20 10 EICDMN Cn1cccc1[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000768198768 1045738916 /nfs/dbraw/zinc/73/89/16/1045738916.db2.gz OVWIGTWDMBYQRO-OAHLLOKOSA-N 0 1 325.239 4.375 20 10 EICDMN CN(Cc1cc(Br)ccc1O)Cc1ccc(F)cc1F ZINC000768233731 1045760982 /nfs/dbraw/zinc/76/09/82/1045760982.db2.gz QPGXFYOTXRMVPL-UHFFFAOYSA-N 0 1 342.183 4.065 20 10 EICDMN c1ccc([C@@H]2CN(Cc3ccc(N4CCCCC4)cc3)CCO2)cc1 ZINC000768235653 1045764193 /nfs/dbraw/zinc/76/41/93/1045764193.db2.gz CJUPZNCXZCKXAJ-QFIPXVFZSA-N 0 1 336.479 4.250 20 10 EICDMN Cc1ccc(C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C2CC2)o1 ZINC000768258726 1045768300 /nfs/dbraw/zinc/76/83/00/1045768300.db2.gz WMCVGYVYXDTEKO-UHFFFAOYSA-N 0 1 336.775 4.020 20 10 EICDMN C[C@H](CC(F)(F)F)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000768272500 1045775762 /nfs/dbraw/zinc/77/57/62/1045775762.db2.gz SHLXHYDXEWDVPP-HTQZYQBOSA-N 0 1 326.156 4.146 20 10 EICDMN CC[N@@H+](CCc1cccs1)Cc1cccc(Br)c1[O-] ZINC000768758272 1045837470 /nfs/dbraw/zinc/83/74/70/1045837470.db2.gz MDLSZJBNQDOSNB-UHFFFAOYSA-N 0 1 340.286 4.281 20 10 EICDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000768931073 1045861361 /nfs/dbraw/zinc/86/13/61/1045861361.db2.gz CWVOMKSOTCLQCD-UHFFFAOYSA-N 0 1 345.870 4.269 20 10 EICDMN CCCN(Cc1c(Cl)nc2ccccn21)Cc1ccccc1O ZINC000769201611 1045893909 /nfs/dbraw/zinc/89/39/09/1045893909.db2.gz XZXLKGFGUWTDKD-UHFFFAOYSA-N 0 1 329.831 4.106 20 10 EICDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H](CCO)c1ccccc1 ZINC000769426669 1045958900 /nfs/dbraw/zinc/95/89/00/1045958900.db2.gz VFWABKDLBAANDT-MRXNPFEDSA-N 0 1 340.250 4.255 20 10 EICDMN CCSCC[C@H](C)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000769548114 1046016263 /nfs/dbraw/zinc/01/62/63/1046016263.db2.gz DZVFVOCFZLKFJC-NSHDSACASA-N 0 1 332.307 4.118 20 10 EICDMN CN(C)c1ccc(CN(Cc2ccc(C(F)(F)F)cn2)C2CC2)cc1 ZINC000769710256 1046049892 /nfs/dbraw/zinc/04/98/92/1046049892.db2.gz SZUVVDDJNVZEJZ-UHFFFAOYSA-N 0 1 349.400 4.331 20 10 EICDMN C[C@H](N[C@H](CO)c1ccsc1)c1ccc(N2CCCCC2)cc1 ZINC000769990591 1046124197 /nfs/dbraw/zinc/12/41/97/1046124197.db2.gz UWFYTCNTNYNZTB-HNAYVOBHSA-N 0 1 330.497 4.123 20 10 EICDMN [O-]c1ccccc1C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000770504560 1046209784 /nfs/dbraw/zinc/20/97/84/1046209784.db2.gz JFRFJOKRALWWEK-FPOVZHCZSA-N 0 1 325.452 4.261 20 10 EICDMN [O-]c1ccccc1C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000770504560 1046209802 /nfs/dbraw/zinc/20/98/02/1046209802.db2.gz JFRFJOKRALWWEK-FPOVZHCZSA-N 0 1 325.452 4.261 20 10 EICDMN C[C@]12CC[N@H+](Cc3c4c(ccc3[O-])oc3c4CCCC3)C[C@H]1C2(F)F ZINC000793522580 1046262795 /nfs/dbraw/zinc/26/27/95/1046262795.db2.gz DSCFEHPAZBYVFS-MJGOQNOKSA-N 0 1 347.405 4.494 20 10 EICDMN C[C@]12CC[N@@H+](Cc3c4c(ccc3[O-])oc3c4CCCC3)C[C@H]1C2(F)F ZINC000793522580 1046262821 /nfs/dbraw/zinc/26/28/21/1046262821.db2.gz DSCFEHPAZBYVFS-MJGOQNOKSA-N 0 1 347.405 4.494 20 10 EICDMN Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)c2ccc3ccccc3c2[O-])c1 ZINC000786576368 1046852425 /nfs/dbraw/zinc/85/24/25/1046852425.db2.gz UBDKOJRPFXADOT-APWZRJJASA-N 0 1 335.447 4.108 20 10 EICDMN CC[C@H](N[C@@H](C)c1cc(Br)cc(F)c1O)C(F)(F)F ZINC000786974159 1046887023 /nfs/dbraw/zinc/88/70/23/1046887023.db2.gz NSMLAWSMILFUMY-WKEGUHRASA-N 0 1 344.146 4.285 20 10 EICDMN C[C@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1cc(Cl)ccc1[O-] ZINC000806180177 1047190196 /nfs/dbraw/zinc/19/01/96/1047190196.db2.gz LNFGNQDSBVIXQI-AAEUAGOBSA-N 0 1 340.250 4.126 20 10 EICDMN C[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)c1cc(Cl)ccc1[O-] ZINC000806177213 1047200830 /nfs/dbraw/zinc/20/08/30/1047200830.db2.gz WARUTIQVAIWIBI-BDJLRTHQSA-N 0 1 340.250 4.473 20 10 EICDMN C[C@@H](N[C@@H]1CCCC1(F)F)c1cc(Br)cc(F)c1O ZINC000806179231 1047203182 /nfs/dbraw/zinc/20/31/82/1047203182.db2.gz BLLZXQBGMORRPY-RDDDGLTNSA-N 0 1 338.167 4.132 20 10 EICDMN C[C@@H]([NH2+][C@@H]1CCCC1(F)F)c1cc(Br)cc(F)c1[O-] ZINC000806179231 1047203194 /nfs/dbraw/zinc/20/31/94/1047203194.db2.gz BLLZXQBGMORRPY-RDDDGLTNSA-N 0 1 338.167 4.132 20 10 EICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cccnc1Cl ZINC000806225780 1047209423 /nfs/dbraw/zinc/20/94/23/1047209423.db2.gz AKAVQUBJAVETJV-UHFFFAOYSA-N 0 1 346.601 4.069 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000788531920 1047227598 /nfs/dbraw/zinc/22/75/98/1047227598.db2.gz HTWKRZVZNJWUER-OAHLLOKOSA-N 0 1 330.859 4.052 20 10 EICDMN CCN(CC)c1ccc(CN[C@@H](C)c2cn3ccccc3n2)cc1F ZINC000788594652 1047240117 /nfs/dbraw/zinc/24/01/17/1047240117.db2.gz XITBKKIPHABPPM-HNNXBMFYSA-N 0 1 340.446 4.170 20 10 EICDMN C[C@@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000788621396 1047252265 /nfs/dbraw/zinc/25/22/65/1047252265.db2.gz XLLUDUPPMWIFSN-HZPDHXFCSA-N 0 1 328.431 4.099 20 10 EICDMN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1)oc1ccccc12 ZINC000789513248 1047436012 /nfs/dbraw/zinc/43/60/12/1047436012.db2.gz KMSZMSBIVNRUOS-FXAWDEMLSA-N 0 1 337.419 4.435 20 10 EICDMN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1)oc1ccccc12 ZINC000789513248 1047436016 /nfs/dbraw/zinc/43/60/16/1047436016.db2.gz KMSZMSBIVNRUOS-FXAWDEMLSA-N 0 1 337.419 4.435 20 10 EICDMN C[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1cncs1 ZINC000897932553 1047502769 /nfs/dbraw/zinc/50/27/69/1047502769.db2.gz MZVVDOXLRVSOTI-JTQLQIEISA-N 0 1 329.391 4.079 20 10 EICDMN Cc1[nH]c2ccccc2c1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838855 1047511891 /nfs/dbraw/zinc/51/18/91/1047511891.db2.gz AMDZPARJMALHJL-UHFFFAOYSA-N 0 1 349.217 4.419 20 10 EICDMN O=C(CCCC(F)(F)F)NCc1cc(Cl)cc(Cl)c1O ZINC000807835595 1047520746 /nfs/dbraw/zinc/52/07/46/1047520746.db2.gz IVAIJUOQODNEND-UHFFFAOYSA-N 0 1 330.133 4.048 20 10 EICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1nccc2ccccc21 ZINC000807837296 1047522480 /nfs/dbraw/zinc/52/24/80/1047522480.db2.gz KNAHGBFOJYFSKO-UHFFFAOYSA-N 0 1 347.201 4.177 20 10 EICDMN CC(C)(C)CCOc1cnccc1CNCc1ccc2c(c1)CCO2 ZINC000808435701 1047899629 /nfs/dbraw/zinc/89/96/29/1047899629.db2.gz URGUXOVTOPXDIJ-UHFFFAOYSA-N 0 1 340.467 4.121 20 10 EICDMN CCc1nc(CN[C@H](CC)c2ccc(C(F)(F)F)cc2O)co1 ZINC000825061578 1048029305 /nfs/dbraw/zinc/02/93/05/1048029305.db2.gz ILANHATZVQMIIQ-CYBMUJFWSA-N 0 1 328.334 4.202 20 10 EICDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000825070742 1048030033 /nfs/dbraw/zinc/03/00/33/1048030033.db2.gz LSKMKDWWGRRECF-OAHLLOKOSA-N 0 1 338.270 4.457 20 10 EICDMN CC[C@@H]([NH2+][C@@H](C)c1cnn(CC)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000825129720 1048040437 /nfs/dbraw/zinc/04/04/37/1048040437.db2.gz BLYTYESJUJNXTO-XHDPSFHLSA-N 0 1 341.377 4.429 20 10 EICDMN CC[C@@](C)([NH2+]Cc1ccc(Br)cc1[O-])c1nccs1 ZINC000825292583 1048064258 /nfs/dbraw/zinc/06/42/58/1048064258.db2.gz YUJLWMXDWSPCLE-CQSZACIVSA-N 0 1 341.274 4.026 20 10 EICDMN Cc1cc(Cl)cc([C@@H](C)N[C@H](C)c2c(F)cncc2F)c1O ZINC000808719994 1048067955 /nfs/dbraw/zinc/06/79/55/1048067955.db2.gz ZNQYAZSAMAHIDA-NXEZZACHSA-N 0 1 326.774 4.439 20 10 EICDMN CN(Cc1ccccc1O)Cc1ccc(OC(F)(F)F)cc1F ZINC001143791656 1048207049 /nfs/dbraw/zinc/20/70/49/1048207049.db2.gz YGDLQDVNJDKQKS-UHFFFAOYSA-N 0 1 329.293 4.062 20 10 EICDMN CCN(CC)c1ccc(CNCc2cc(OC)ccc2F)cc1F ZINC000815124445 1048337705 /nfs/dbraw/zinc/33/77/05/1048337705.db2.gz YNQKMPHNRIQAEC-UHFFFAOYSA-N 0 1 334.410 4.109 20 10 EICDMN [O-]c1cccc(Cl)c1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000809700117 1048466381 /nfs/dbraw/zinc/46/63/81/1048466381.db2.gz XVHORLSDDCIBNJ-SUMDDJOVSA-N 0 1 343.854 4.050 20 10 EICDMN [O-]c1cccc(Cl)c1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000809700117 1048466390 /nfs/dbraw/zinc/46/63/90/1048466390.db2.gz XVHORLSDDCIBNJ-SUMDDJOVSA-N 0 1 343.854 4.050 20 10 EICDMN [O-]c1ccc(Cl)cc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000809699992 1048466633 /nfs/dbraw/zinc/46/66/33/1048466633.db2.gz VPEBRQGUGGHARZ-CEXWTWQISA-N 0 1 343.854 4.050 20 10 EICDMN [O-]c1ccc(Cl)cc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000809699992 1048466640 /nfs/dbraw/zinc/46/66/40/1048466640.db2.gz VPEBRQGUGGHARZ-CEXWTWQISA-N 0 1 343.854 4.050 20 10 EICDMN Cc1cc(Br)c([O-])c(C[N@@H+](Cc2ccccn2)C2CC2)c1 ZINC000809764723 1048524429 /nfs/dbraw/zinc/52/44/29/1048524429.db2.gz YTPPKGHZOCRNLO-UHFFFAOYSA-N 0 1 347.256 4.023 20 10 EICDMN CC[C@@H]([NH2+]Cc1ccccc1CO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810212600 1048682273 /nfs/dbraw/zinc/68/22/73/1048682273.db2.gz CSARVZURUGWVPC-MRXNPFEDSA-N 0 1 339.357 4.144 20 10 EICDMN CC[C@H]([NH2+]Cc1c(C)noc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810212601 1048682625 /nfs/dbraw/zinc/68/26/25/1048682625.db2.gz CSIKTGOOKFYPOP-AWEZNQCLSA-N 0 1 328.334 4.257 20 10 EICDMN CC[C@@H]([NH2+]CCc1ccccc1O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810214574 1048684172 /nfs/dbraw/zinc/68/41/72/1048684172.db2.gz BTTWSLVRBMDFBX-OAHLLOKOSA-N 0 1 339.357 4.400 20 10 EICDMN CC[C@H]([NH2+][C@H](C)Cc1cc(C)n[nH]1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227771 1048695526 /nfs/dbraw/zinc/69/55/26/1048695526.db2.gz JBFVQMRVQIDGMG-BMIGLBTASA-N 0 1 341.377 4.114 20 10 EICDMN CC[C@H]([NH2+]CCCc1ccccn1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228783 1048696005 /nfs/dbraw/zinc/69/60/05/1048696005.db2.gz YTEYBTSNEXDRPO-INIZCTEOSA-N 0 1 338.373 4.480 20 10 EICDMN CC[C@H]([NH2+]CCc1cnc(C)s1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228327 1048698034 /nfs/dbraw/zinc/69/80/34/1048698034.db2.gz SNKKUXJJCKABMX-AWEZNQCLSA-N 0 1 344.402 4.459 20 10 EICDMN CC(=O)c1cc(F)cc(C[NH2+]C(C)(C)c2ccc(Cl)cc2)c1[O-] ZINC000748049463 1048708562 /nfs/dbraw/zinc/70/85/62/1048708562.db2.gz AZXSOANADVYTGL-UHFFFAOYSA-N 0 1 335.806 4.412 20 10 EICDMN CC[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238000 1048719555 /nfs/dbraw/zinc/71/95/55/1048719555.db2.gz WQWLBLHJFMSTOV-KMFMINBZSA-N 0 1 343.389 4.409 20 10 EICDMN CC[C@@H]([NH2+]CCc1cccc(C)n1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237304 1048722770 /nfs/dbraw/zinc/72/27/70/1048722770.db2.gz FVONQISMUPQVOJ-MRXNPFEDSA-N 0 1 338.373 4.398 20 10 EICDMN C[C@H](O)[C@@H](NCc1ccc(N2CCCCC2)cc1)c1ccccc1F ZINC000846016870 1048785410 /nfs/dbraw/zinc/78/54/10/1048785410.db2.gz KEVLLNZUBGAVMX-HRAATJIYSA-N 0 1 342.458 4.028 20 10 EICDMN Cn1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])c(C2CCCCC2)n1 ZINC000846055580 1048808400 /nfs/dbraw/zinc/80/84/00/1048808400.db2.gz NGNRYRIAHVXVBC-UHFFFAOYSA-N 0 1 333.863 4.117 20 10 EICDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000816483522 1048812504 /nfs/dbraw/zinc/81/25/04/1048812504.db2.gz VLDDPCKGHBJTES-UHFFFAOYSA-N 0 1 333.790 4.180 20 10 EICDMN CN(Cc1ccn(-c2ccccc2)n1)Cc1cc(Cl)c(F)cc1O ZINC000816493480 1048814084 /nfs/dbraw/zinc/81/40/84/1048814084.db2.gz DAVBNDLUOZMPGN-UHFFFAOYSA-N 0 1 345.805 4.002 20 10 EICDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])C[C@@H]1OCCc2ccccc21 ZINC000816495846 1048815557 /nfs/dbraw/zinc/81/55/57/1048815557.db2.gz LMVYHNNJPKOZEE-NRFANRHFSA-N 0 1 333.431 4.291 20 10 EICDMN C[N@H+](Cc1ccc2ccccc2c1[O-])C[C@@H]1OCCc2ccccc21 ZINC000816495846 1048815561 /nfs/dbraw/zinc/81/55/61/1048815561.db2.gz LMVYHNNJPKOZEE-NRFANRHFSA-N 0 1 333.431 4.291 20 10 EICDMN CN(C)c1ccc(CN2CC[C@]3(CC3(F)F)C2)c(C(F)(F)F)c1 ZINC000846117446 1048815640 /nfs/dbraw/zinc/81/56/40/1048815640.db2.gz PZGJMQGTMMXTBZ-AWEZNQCLSA-N 0 1 334.332 4.003 20 10 EICDMN Oc1c(CN2CCO[C@@H](c3ccccc3F)C2)ccc2ccccc21 ZINC000816502231 1048821370 /nfs/dbraw/zinc/82/13/70/1048821370.db2.gz SHQBRSAHWSRSPK-HXUWFJFHSA-N 0 1 337.394 4.258 20 10 EICDMN [O-]c1cc(F)c(Cl)cc1C[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000816510970 1048822575 /nfs/dbraw/zinc/82/25/75/1048822575.db2.gz KXRQMPIFGPMAOA-SFHVURJKSA-N 0 1 349.833 4.057 20 10 EICDMN COc1ccccc1C1(C[NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816544800 1048826670 /nfs/dbraw/zinc/82/66/70/1048826670.db2.gz ULDABPMEDGESBP-UHFFFAOYSA-N 0 1 333.431 4.375 20 10 EICDMN C[C@H](O)[C@](C)(C[NH2+]Cc1ccc2ccccc2c1[O-])Cc1ccccc1 ZINC000816590646 1048832676 /nfs/dbraw/zinc/83/26/76/1048832676.db2.gz HKRYZMHUOYWPNG-SBUREZEXSA-N 0 1 349.474 4.265 20 10 EICDMN COc1cccc(O[C@@H](C)C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816553883 1048833774 /nfs/dbraw/zinc/83/37/74/1048833774.db2.gz JFWMFZKRGHFTIL-HNNXBMFYSA-N 0 1 337.419 4.111 20 10 EICDMN C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816565974 1048837665 /nfs/dbraw/zinc/83/76/65/1048837665.db2.gz HVMKAUVKHWIJJD-WCBMZHEXSA-N 0 1 325.733 4.348 20 10 EICDMN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2ccccc2c1[O-] ZINC000816600951 1048842047 /nfs/dbraw/zinc/84/20/47/1048842047.db2.gz LZGPRLLDQOKCJJ-MOPGFXCFSA-N 0 1 345.446 4.099 20 10 EICDMN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2ccccc2c1[O-] ZINC000816600951 1048842051 /nfs/dbraw/zinc/84/20/51/1048842051.db2.gz LZGPRLLDQOKCJJ-MOPGFXCFSA-N 0 1 345.446 4.099 20 10 EICDMN Cc1cc(Cl)cc(C[NH2+]Cc2cc(Br)ccc2[O-])c1 ZINC000816608675 1048843826 /nfs/dbraw/zinc/84/38/26/1048843826.db2.gz GUHIPSMMVBOSAS-UHFFFAOYSA-N 0 1 340.648 4.406 20 10 EICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccccc1F ZINC000806098520 1049046776 /nfs/dbraw/zinc/04/67/76/1049046776.db2.gz YSTOALYVPYSJHE-UHFFFAOYSA-N 0 1 329.158 4.160 20 10 EICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000811518026 1049103101 /nfs/dbraw/zinc/10/31/01/1049103101.db2.gz DKEIITWTMUDZTA-GOEBONIOSA-N 0 1 342.266 4.233 20 10 EICDMN O=C1CCN(Cc2cc(Cl)cc(Cl)c2O)c2ccccc2N1 ZINC000811508520 1049118990 /nfs/dbraw/zinc/11/89/90/1049118990.db2.gz UUGFHKZRBBJPBI-UHFFFAOYSA-N 0 1 337.206 4.048 20 10 EICDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000811512667 1049124496 /nfs/dbraw/zinc/12/44/96/1049124496.db2.gz JDDMZKQGHASYLJ-LJQANCHMSA-N 0 1 329.827 4.015 20 10 EICDMN C[C@@H](N[C@H](CO)c1cccc(F)c1)c1ccc(N2CCCCC2)cc1 ZINC000773006074 1049521483 /nfs/dbraw/zinc/52/14/83/1049521483.db2.gz BVJZBBMHYGLHCS-IIBYNOLFSA-N 0 1 342.458 4.200 20 10 EICDMN CC[C@@H]([NH2+]C[C@@](C)(OC)C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000812735230 1049555056 /nfs/dbraw/zinc/55/50/56/1049555056.db2.gz YFBDQLFGDWJAJD-GDBMZVCRSA-N 0 1 331.378 4.267 20 10 EICDMN CC[C@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1cc(Cl)ccc1[O-] ZINC000812736933 1049557927 /nfs/dbraw/zinc/55/79/27/1049557927.db2.gz FOHUMELODKCEIJ-INIZCTEOSA-N 0 1 329.831 4.173 20 10 EICDMN CC[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1cc(Br)ccc1[O-] ZINC000036993965 1049654145 /nfs/dbraw/zinc/65/41/45/1049654145.db2.gz PBYPNKWCROGHHQ-XHDPSFHLSA-N 0 1 338.245 4.420 20 10 EICDMN COCC1(C)CC[NH+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1 ZINC000773268308 1049680590 /nfs/dbraw/zinc/68/05/90/1049680590.db2.gz LLBKONHQDDFEEM-UHFFFAOYSA-N 0 1 343.467 4.266 20 10 EICDMN O=C(/C=C\c1cccs1)NCc1cc(Cl)cc(Cl)c1O ZINC000813686328 1049808664 /nfs/dbraw/zinc/80/86/64/1049808664.db2.gz ZHTNEXXVFUMUNV-ARJAWSKDSA-N 0 1 328.220 4.090 20 10 EICDMN COc1ccc(O)c([C@H](C)NCc2csc(-c3cccs3)n2)c1 ZINC000182457986 1050672912 /nfs/dbraw/zinc/67/29/12/1050672912.db2.gz AQDXHAWRXOTQEK-NSHDSACASA-N 0 1 346.477 4.437 20 10 EICDMN CCCOc1ccc(CNCc2ccc(Br)cn2)cc1C ZINC001179390565 1050688445 /nfs/dbraw/zinc/68/84/45/1050688445.db2.gz JLFBVCOGVIVPQQ-UHFFFAOYSA-N 0 1 349.272 4.231 20 10 EICDMN COc1nc(CN(C)Cc2ccc(N3CCCCC3)cc2)ccc1C ZINC001179845342 1050797963 /nfs/dbraw/zinc/79/79/63/1050797963.db2.gz PJTDZVXWOKMQEX-UHFFFAOYSA-N 0 1 339.483 4.021 20 10 EICDMN Cc1cc([O-])c(C[N@H+](C)CCCOc2ccc(F)cc2)cc1Cl ZINC001179988163 1050842679 /nfs/dbraw/zinc/84/26/79/1050842679.db2.gz AXZAFLSMDPMZFL-UHFFFAOYSA-N 0 1 337.822 4.394 20 10 EICDMN Cc1cc([O-])c(C[N@@H+](C)CCCOc2ccc(F)cc2)cc1Cl ZINC001179988163 1050842687 /nfs/dbraw/zinc/84/26/87/1050842687.db2.gz AXZAFLSMDPMZFL-UHFFFAOYSA-N 0 1 337.822 4.394 20 10 EICDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCSC2(CCCCC2)C1 ZINC001180058499 1050871136 /nfs/dbraw/zinc/87/11/36/1050871136.db2.gz SLNWCPJBUCMOJL-UHFFFAOYSA-N 0 1 329.868 4.436 20 10 EICDMN Oc1cc(Br)ccc1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001180076347 1050874670 /nfs/dbraw/zinc/87/46/70/1050874670.db2.gz FPZHWRRPAKCIGF-OAHLLOKOSA-N 0 1 346.268 4.219 20 10 EICDMN [O-]c1cc(Br)ccc1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001180076347 1050874679 /nfs/dbraw/zinc/87/46/79/1050874679.db2.gz FPZHWRRPAKCIGF-OAHLLOKOSA-N 0 1 346.268 4.219 20 10 EICDMN [O-]c1cc(Br)ccc1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001180076347 1050874683 /nfs/dbraw/zinc/87/46/83/1050874683.db2.gz FPZHWRRPAKCIGF-OAHLLOKOSA-N 0 1 346.268 4.219 20 10 EICDMN [O-]c1c(F)cc(F)cc1C[N@H+](Cc1ccco1)Cc1ccc(O)cc1 ZINC001180208964 1050916657 /nfs/dbraw/zinc/91/66/57/1050916657.db2.gz ULEJZUWHUXXCMU-UHFFFAOYSA-N 0 1 345.345 4.171 20 10 EICDMN CC[C@@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CCS1 ZINC001180198673 1050926060 /nfs/dbraw/zinc/92/60/60/1050926060.db2.gz HCVAQZIHFUGFRS-CQSZACIVSA-N 0 1 332.435 4.099 20 10 EICDMN CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1c([O-])ccc(Cl)c1F ZINC001180479752 1051000527 /nfs/dbraw/zinc/00/05/27/1051000527.db2.gz RSXPZFXOYXROLX-UHFFFAOYSA-N 0 1 336.838 4.273 20 10 EICDMN CC[C@@](C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(Cl)cc1[O-] ZINC001180962003 1051121948 /nfs/dbraw/zinc/12/19/48/1051121948.db2.gz IZLMMFCSBSVBPM-LJQANCHMSA-N 0 1 333.859 4.209 20 10 EICDMN CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(Cl)cc1[O-] ZINC001180962003 1051121953 /nfs/dbraw/zinc/12/19/53/1051121953.db2.gz IZLMMFCSBSVBPM-LJQANCHMSA-N 0 1 333.859 4.209 20 10 EICDMN [O-]c1c(F)cc(F)cc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC001181600541 1051258541 /nfs/dbraw/zinc/25/85/41/1051258541.db2.gz MPPIPIJMNYYQQC-LMMKCTJWSA-N 0 1 329.390 4.439 20 10 EICDMN CC(C)[C@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CCCO1 ZINC001182097932 1051399121 /nfs/dbraw/zinc/39/91/21/1051399121.db2.gz BFWQJUIVRHJJPT-QGZVFWFLSA-N 0 1 344.421 4.018 20 10 EICDMN CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000183801388 1051441735 /nfs/dbraw/zinc/44/17/35/1051441735.db2.gz LNHRJEYYNYQIKK-INIZCTEOSA-N 0 1 341.451 4.099 20 10 EICDMN CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000183801388 1051441743 /nfs/dbraw/zinc/44/17/43/1051441743.db2.gz LNHRJEYYNYQIKK-INIZCTEOSA-N 0 1 341.451 4.099 20 10 EICDMN CN(Cc1ccccc1O)Cc1cccc(Br)c1Cl ZINC001191682318 1051507778 /nfs/dbraw/zinc/50/77/78/1051507778.db2.gz PMVISXMWEPYYRB-UHFFFAOYSA-N 0 1 340.648 4.440 20 10 EICDMN CC[C@H]([NH2+]CCc1ccc(OC)c(OC)c1)c1cc(Cl)ccc1[O-] ZINC000775483214 1051551457 /nfs/dbraw/zinc/55/14/57/1051551457.db2.gz PJEJCCAKGXQQAS-INIZCTEOSA-N 0 1 349.858 4.346 20 10 EICDMN C[C@H](Nc1cnn(-c2ccncc2)c1)c1cc(Cl)c(Cl)cc1O ZINC000774315928 1051554073 /nfs/dbraw/zinc/55/40/73/1051554073.db2.gz RAKDXAIBYXGINI-JTQLQIEISA-N 0 1 349.221 4.453 20 10 EICDMN CC[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1cc(Cl)ccc1[O-] ZINC000774379333 1051568321 /nfs/dbraw/zinc/56/83/21/1051568321.db2.gz OLAZOSMLCCNTJT-LLVKDONJSA-N 0 1 343.748 4.003 20 10 EICDMN CC[C@@H]([NH2+]Cc1ccccc1OCCOC)c1cc(Cl)ccc1[O-] ZINC000775491759 1051589243 /nfs/dbraw/zinc/58/92/43/1051589243.db2.gz IXSIJYIMVJBQSV-QGZVFWFLSA-N 0 1 349.858 4.312 20 10 EICDMN CC[C@@H]([NH2+]Cc1cccc(OCCOC)c1)c1cc(Cl)ccc1[O-] ZINC000775492863 1051591964 /nfs/dbraw/zinc/59/19/64/1051591964.db2.gz PGWXEYFGUHCSEO-GOSISDBHSA-N 0 1 349.858 4.312 20 10 EICDMN CC[C@H]([NH2+][C@H](C)COCC(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000775497790 1051618482 /nfs/dbraw/zinc/61/84/82/1051618482.db2.gz UEHWPGWMQDLXID-SKDRFNHKSA-N 0 1 325.758 4.054 20 10 EICDMN CCCOc1ccc(C[NH2+][C@@H](CC)c2cc(Cl)ccc2[O-])cn1 ZINC000775501181 1051625816 /nfs/dbraw/zinc/62/58/16/1051625816.db2.gz CLFJTIZNNZGHDN-INIZCTEOSA-N 0 1 334.847 4.470 20 10 EICDMN CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1[O-] ZINC000775498785 1051629819 /nfs/dbraw/zinc/62/98/19/1051629819.db2.gz OCBFXEKXTCIPEW-MRXNPFEDSA-N 0 1 334.803 4.237 20 10 EICDMN C[C@@]1(c2cccc(F)c2)CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001182755029 1051685364 /nfs/dbraw/zinc/68/53/64/1051685364.db2.gz PKMPNNALXAXDRE-GOSISDBHSA-N 0 1 337.797 4.487 20 10 EICDMN CC[C@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000775523204 1051692081 /nfs/dbraw/zinc/69/20/81/1051692081.db2.gz FCKXQNIDYHOQMB-ROUUACIJSA-N 0 1 330.859 4.273 20 10 EICDMN CC[C@H]([NH2+][C@@H](C)[C@@H](O)Cc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775524585 1051709123 /nfs/dbraw/zinc/70/91/23/1051709123.db2.gz RPLCLMPRUBQKPB-IXDGSTSKSA-N 0 1 333.859 4.078 20 10 EICDMN CC[C@@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1cc(Cl)ccc1[O-] ZINC000775532199 1051747299 /nfs/dbraw/zinc/74/72/99/1051747299.db2.gz SYUZQSXDDPKGND-XJKSGUPXSA-N 0 1 325.880 4.275 20 10 EICDMN COC1(C)CC[NH+](Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000774640045 1051853470 /nfs/dbraw/zinc/85/34/70/1051853470.db2.gz OWKYTNUVBNLMQQ-UHFFFAOYSA-N 0 1 325.408 4.293 20 10 EICDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC001183865181 1051917797 /nfs/dbraw/zinc/91/77/97/1051917797.db2.gz QBFUETWXQILOFC-CYBMUJFWSA-N 0 1 348.899 4.370 20 10 EICDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC001183865181 1051917802 /nfs/dbraw/zinc/91/78/02/1051917802.db2.gz QBFUETWXQILOFC-CYBMUJFWSA-N 0 1 348.899 4.370 20 10 EICDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC001183865182 1051918234 /nfs/dbraw/zinc/91/82/34/1051918234.db2.gz QBFUETWXQILOFC-ZDUSSCGKSA-N 0 1 348.899 4.370 20 10 EICDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC001183865182 1051918250 /nfs/dbraw/zinc/91/82/50/1051918250.db2.gz QBFUETWXQILOFC-ZDUSSCGKSA-N 0 1 348.899 4.370 20 10 EICDMN O=C(Nc1ccc2cc(F)ccc2c1)c1cc(O)c(O)c(Cl)c1 ZINC001193625564 1051957074 /nfs/dbraw/zinc/95/70/74/1051957074.db2.gz PLGJABNJPFJVDE-UHFFFAOYSA-N 0 1 331.730 4.296 20 10 EICDMN Cc1ccccc1C1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CCOCC1 ZINC000185126817 1052447868 /nfs/dbraw/zinc/44/78/68/1052447868.db2.gz WRGIOLVRFOWEFO-MRXNPFEDSA-N 0 1 343.442 4.239 20 10 EICDMN CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2ccc3ccccc3c2[O-])cc1 ZINC000185338160 1052581715 /nfs/dbraw/zinc/58/17/15/1052581715.db2.gz IRVKCBSENKMOEI-OAHLLOKOSA-N 0 1 348.446 4.397 20 10 EICDMN COc1cc(CN[C@@H](C)c2ncc(C)s2)c(O)c(C(C)(C)C)c1 ZINC000850177535 1053081829 /nfs/dbraw/zinc/08/18/29/1053081829.db2.gz XCXQPJPLBOYFBD-LBPRGKRZSA-N 0 1 334.485 4.314 20 10 EICDMN Cc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1Cl ZINC000864018722 1053150486 /nfs/dbraw/zinc/15/04/86/1053150486.db2.gz RRMSTDAOWGSPFQ-UHFFFAOYSA-N 0 1 329.875 4.012 20 10 EICDMN CO[C@@]1(C)CCC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000794654901 1053249589 /nfs/dbraw/zinc/24/95/89/1053249589.db2.gz JMZSDWHOQPOQLM-FQEVSTJZSA-N 0 1 325.408 4.293 20 10 EICDMN CO[C@@]1(C)CCC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000794654901 1053249612 /nfs/dbraw/zinc/24/96/12/1053249612.db2.gz JMZSDWHOQPOQLM-FQEVSTJZSA-N 0 1 325.408 4.293 20 10 EICDMN C[C@H](C[NH2+][C@@H](C)c1cc(Br)ccc1[O-])c1ccccn1 ZINC000850483509 1053255380 /nfs/dbraw/zinc/25/53/80/1053255380.db2.gz YNNHCXAGXFBXRY-NEPJUHHUSA-N 0 1 335.245 4.004 20 10 EICDMN CC[C@@H](NCc1c(OC)cccc1OC)c1ccc(N(C)C)cc1 ZINC000850505081 1053265661 /nfs/dbraw/zinc/26/56/61/1053265661.db2.gz MGDVZIGSLHTYDW-GOSISDBHSA-N 0 1 328.456 4.011 20 10 EICDMN CC[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850523795 1053280375 /nfs/dbraw/zinc/28/03/75/1053280375.db2.gz PJOYSCUHAAPCFO-GXTWGEPZSA-N 0 1 329.362 4.163 20 10 EICDMN C[C@@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1ccc2ccccc2c1[O-] ZINC000850532475 1053293830 /nfs/dbraw/zinc/29/38/30/1053293830.db2.gz MAOSWSVZWIGYIS-NJAPINKUSA-N 0 1 333.378 4.010 20 10 EICDMN C[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)c1ccc(Br)cc1[O-] ZINC000850537652 1053301000 /nfs/dbraw/zinc/30/10/00/1053301000.db2.gz WQOOUUKHUIHEOY-NOZJJQNGSA-N 0 1 334.204 4.241 20 10 EICDMN Cc1cc(Cl)cc(CN2CCC(C(=O)c3ccccc3)CC2)c1O ZINC000775645359 1053330000 /nfs/dbraw/zinc/33/00/00/1053330000.db2.gz KBURBKLJTVJFQX-UHFFFAOYSA-N 0 1 343.854 4.449 20 10 EICDMN C[C@@H](NCc1ccsc1)c1ccc(N2CCOCC2)cc1Cl ZINC000764923541 1053376498 /nfs/dbraw/zinc/37/64/98/1053376498.db2.gz DPNIWUSACGWSBS-CYBMUJFWSA-N 0 1 336.888 4.089 20 10 EICDMN COc1ccc([C@@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C2)cc1 ZINC000775669487 1053479759 /nfs/dbraw/zinc/47/97/59/1053479759.db2.gz KOODMDAMBCRWBQ-CYBMUJFWSA-N 0 1 335.806 4.183 20 10 EICDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000775674465 1053502171 /nfs/dbraw/zinc/50/21/71/1053502171.db2.gz CXVLZTVZXDHXRW-INIZCTEOSA-N 0 1 345.826 4.154 20 10 EICDMN C[C@@H]1C[C@H](NCc2noc3ccc(F)cc32)c2c1c(F)ccc2O ZINC000866512354 1053762111 /nfs/dbraw/zinc/76/21/11/1053762111.db2.gz YLYMBRHQIMOPKB-RNCFNFMXSA-N 0 1 330.334 4.150 20 10 EICDMN C[C@@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1ccc(Br)cc1[O-] ZINC000854226856 1053784030 /nfs/dbraw/zinc/78/40/30/1053784030.db2.gz ROJMRPVLXNTDSK-QLJPJBMISA-N 0 1 347.256 4.075 20 10 EICDMN C[C@@H]1C[C@H](NCc2noc3cc(F)ccc32)c2c1c(F)ccc2O ZINC000866612216 1053803811 /nfs/dbraw/zinc/80/38/11/1053803811.db2.gz FGRDPCZQPRWVHM-RNCFNFMXSA-N 0 1 330.334 4.150 20 10 EICDMN CCN(C)c1ccc([C@H](C)NCc2noc3cc(F)ccc23)cc1 ZINC000866610412 1053804657 /nfs/dbraw/zinc/80/46/57/1053804657.db2.gz LPXDNQLJDAPIEE-ZDUSSCGKSA-N 0 1 327.403 4.274 20 10 EICDMN CC[C@@H](NCc1ncc(Br)s1)c1ccc(C)cc1O ZINC000866619532 1053808946 /nfs/dbraw/zinc/80/89/46/1053808946.db2.gz DLRJENNJKSUSDZ-LLVKDONJSA-N 0 1 341.274 4.161 20 10 EICDMN CCN(C)c1ccc([C@@H](C)NCc2c(C)cc(C)nc2OC)cc1 ZINC000765667315 1053834106 /nfs/dbraw/zinc/83/41/06/1053834106.db2.gz XFJOOGMMTXBISX-MRXNPFEDSA-N 0 1 327.472 4.014 20 10 EICDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](Cc2ccccc2)C(C)C)c1[O-] ZINC001197769471 1053992438 /nfs/dbraw/zinc/99/24/38/1053992438.db2.gz NDQVQTWFHJHIEY-LJQANCHMSA-N 0 1 329.415 4.091 20 10 EICDMN Cc1ccn2cc(CN[C@H](C)c3ccc(N4CCCCC4)cc3)nc2c1 ZINC000765757142 1054136804 /nfs/dbraw/zinc/13/68/04/1054136804.db2.gz FJUZUVDNLDBYCF-GOSISDBHSA-N 0 1 348.494 4.484 20 10 EICDMN CC[C@H]([NH2+][C@H](C)c1nccnc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000872133118 1054408447 /nfs/dbraw/zinc/40/84/47/1054408447.db2.gz KKJYXALEDUQURA-RISCZKNCSA-N 0 1 339.361 4.311 20 10 EICDMN CC(C)C[N@@H+](Cc1cc(F)ccc1O)[C@@H]1CCCc2cccnc21 ZINC000775993891 1054433086 /nfs/dbraw/zinc/43/30/86/1054433086.db2.gz HICPVVKCQYSABY-GOSISDBHSA-N 0 1 328.431 4.462 20 10 EICDMN CCOc1cccc(CNC2(c3c(F)cccc3F)CCC2)c1O ZINC000858341259 1054466673 /nfs/dbraw/zinc/46/66/73/1054466673.db2.gz AQDPPBAPSWULHC-UHFFFAOYSA-N 0 1 333.378 4.238 20 10 EICDMN C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])c1ccns1 ZINC000858575998 1054522692 /nfs/dbraw/zinc/52/26/92/1054522692.db2.gz HCLNXQLJOUZRCG-DTWKUNHWSA-N 0 1 327.247 4.023 20 10 EICDMN CC[C@@H]([NH2+]Cc1cc(N)cc(F)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000873290194 1054525910 /nfs/dbraw/zinc/52/59/10/1054525910.db2.gz OTRPHBQKDAXGGT-OAHLLOKOSA-N 0 1 342.336 4.373 20 10 EICDMN COc1cc(O)c(CNCc2cccc(Cl)c2Cl)cc1OC ZINC000776116049 1054552956 /nfs/dbraw/zinc/55/29/56/1054552956.db2.gz GTYHILWUTZUIFF-UHFFFAOYSA-N 0 1 342.222 4.006 20 10 EICDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001201735942 1054906890 /nfs/dbraw/zinc/90/68/90/1054906890.db2.gz ZBOQMLQRQIOUOY-CYBMUJFWSA-N 0 1 346.268 4.049 20 10 EICDMN COc1cc(CN(Cc2ccccn2)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000825934064 1055019110 /nfs/dbraw/zinc/01/91/10/1055019110.db2.gz GAKHHOLQXKBHLG-UHFFFAOYSA-N 0 1 340.467 4.258 20 10 EICDMN C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862326515 1055050191 /nfs/dbraw/zinc/05/01/91/1055050191.db2.gz PHNJHGWHDYWCGU-WBMJQRKESA-N 0 1 347.256 4.133 20 10 EICDMN C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862326515 1055050205 /nfs/dbraw/zinc/05/02/05/1055050205.db2.gz PHNJHGWHDYWCGU-WBMJQRKESA-N 0 1 347.256 4.133 20 10 EICDMN CCOCc1cc(CNC2(c3cccc(F)c3)CC2)ccc1OC ZINC000172674058 1056629140 /nfs/dbraw/zinc/62/91/40/1056629140.db2.gz JAFWOWZCBPFLKY-UHFFFAOYSA-N 0 1 329.415 4.150 20 10 EICDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1cccc(Cl)c1F ZINC000742388547 1058588251 /nfs/dbraw/zinc/58/82/51/1058588251.db2.gz WQWCWNUTJBOAEA-UHFFFAOYSA-N 0 1 344.611 4.237 20 10 EICDMN CC[C@H]([NH2+]CCCOC(C)C)c1cc(Br)ccc1[O-] ZINC000020198121 212111083 /nfs/dbraw/zinc/11/10/83/212111083.db2.gz TYYGAJKAXRYKLW-AWEZNQCLSA-N 0 1 330.266 4.011 20 10 EICDMN Cc1cc(CNCc2cnc(C)s2)c(C)n1-c1cccc(C)c1 ZINC000729682516 1032130467 /nfs/dbraw/zinc/13/04/67/1032130467.db2.gz YRTWCZJQNRWIBP-UHFFFAOYSA-N 0 1 325.481 4.457 20 10 EICDMN C[C@@H]([NH2+][C@H]1COCc2ccccc21)c1ccc(Br)cc1[O-] ZINC000841762554 1032643786 /nfs/dbraw/zinc/64/37/86/1032643786.db2.gz XONNAOIOJHDCCI-BZNIZROVSA-N 0 1 348.240 4.077 20 10 EICDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](c2ccccn2)C2CCCC2)c1[O-] ZINC000376162759 1021635774 /nfs/dbraw/zinc/63/57/74/1021635774.db2.gz OGPNCBJFQFAXIM-LJQANCHMSA-N 0 1 342.414 4.150 20 10 EICDMN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(F)cc1OC(F)F ZINC000160558882 1022241756 /nfs/dbraw/zinc/24/17/56/1022241756.db2.gz WHFUSWIVWLQHBP-GFCCVEGCSA-N 0 1 338.373 4.344 20 10 EICDMN COc1cccc(CN(CCC(F)(F)F)Cc2ccccc2)c1O ZINC000191782222 1023575491 /nfs/dbraw/zinc/57/54/91/1023575491.db2.gz UIDFXQUMCQFCSS-UHFFFAOYSA-N 0 1 339.357 4.355 20 10 EICDMN CC[C@@H]([NH2+][C@@H](C)c1ccccn1)c1cc(Br)ccc1[O-] ZINC000020123482 1023731564 /nfs/dbraw/zinc/73/15/64/1023731564.db2.gz WZWRBYDJOLONAP-SMDDNHRTSA-N 0 1 335.245 4.352 20 10 EICDMN C[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)c1cc(Cl)ccc1[O-] ZINC000756779662 1024673434 /nfs/dbraw/zinc/67/34/34/1024673434.db2.gz UPMVVBJFCCOPPY-ZEQHWRKHSA-N 0 1 329.918 4.076 20 10 EICDMN CC[C@H](C)c1nc([C@H](C)N[C@H](C)c2ccc(N(C)CC)cc2)n[nH]1 ZINC000277256328 1025405830 /nfs/dbraw/zinc/40/58/30/1025405830.db2.gz OLMXYEPXSBKCCE-ZNMIVQPWSA-N 0 1 329.492 4.186 20 10 EICDMN CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1c([O-])ccc2ccncc21 ZINC000728897713 1026198942 /nfs/dbraw/zinc/19/89/42/1026198942.db2.gz AOIZZBNLWYKUJA-UHFFFAOYSA-N 0 1 349.478 4.417 20 10 EICDMN CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1c([O-])ccc2ccncc21 ZINC000728897713 1026198946 /nfs/dbraw/zinc/19/89/46/1026198946.db2.gz AOIZZBNLWYKUJA-UHFFFAOYSA-N 0 1 349.478 4.417 20 10 EICDMN CC[C@H]1C[C@H](C)C[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708074827 1026840647 /nfs/dbraw/zinc/84/06/47/1026840647.db2.gz HHPYUINAAGQLAX-CABZTGNLSA-N 0 1 332.669 4.429 20 10 EICDMN C[C@@H](NCc1sccc1Br)c1ccc(N(C)C)cc1 ZINC000147918637 1027447528 /nfs/dbraw/zinc/44/75/28/1027447528.db2.gz UHHQRAZHMWSAEC-LLVKDONJSA-N 0 1 339.302 4.427 20 10 EICDMN C[C@H](NCc1sccc1Br)c1ccc(N(C)C)cc1 ZINC000147918419 1028734128 /nfs/dbraw/zinc/73/41/28/1028734128.db2.gz UHHQRAZHMWSAEC-NSHDSACASA-N 0 1 339.302 4.427 20 10 EICDMN Cc1ccc([C@@H](C)NCc2nnc(-c3ccccc3)s2)c(O)c1 ZINC000186105395 1030247671 /nfs/dbraw/zinc/24/76/71/1030247671.db2.gz PAZSDZBIXFKRIC-CYBMUJFWSA-N 0 1 325.437 4.070 20 10 EICDMN CCOc1ccccc1[C@@H](CC)[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000179754865 1031283302 /nfs/dbraw/zinc/28/33/02/1031283302.db2.gz OUTIOKGSESWNTH-GOSISDBHSA-N 0 1 345.414 4.374 20 10 EICDMN CCc1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])s1 ZINC000227437582 1035798835 /nfs/dbraw/zinc/79/88/35/1035798835.db2.gz IWJDSLSLUWAPEW-UHFFFAOYSA-N 0 1 326.259 4.068 20 10 EICDMN CC[C@H]([NH2+]CC1(SC)CCC1)c1cc(Br)ccc1[O-] ZINC000228016135 1036036535 /nfs/dbraw/zinc/03/65/35/1036036535.db2.gz RRVWDGSPDRUCDR-ZDUSSCGKSA-N 0 1 344.318 4.481 20 10 EICDMN C[C@H](NCc1ccc(N2CCSCC2)cc1)c1cccnc1Cl ZINC000163597493 1037404896 /nfs/dbraw/zinc/40/48/96/1037404896.db2.gz WDWHWANQCXNPDO-AWEZNQCLSA-N 0 1 347.915 4.139 20 10 EICDMN C[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)c1cc(Br)ccc1[O-] ZINC000273608676 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[O-]c1c(Br)cc(F)cc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001235304203 1045371456 /nfs/dbraw/zinc/37/14/56/1045371456.db2.gz UWUZCTGPDDNJRP-YGRLFVJLSA-N 0 1 328.225 4.058 20 10 EICDMN CC[C@@H]([NH2+][C@H]1CCc2cnn(C(C)C)c2C1)c1cc(Cl)ccc1[O-] ZINC000790694978 1045561057 /nfs/dbraw/zinc/56/10/57/1045561057.db2.gz CIHQSUYZQJITDI-DOTOQJQBSA-N 0 1 347.890 4.421 20 10 EICDMN CN(C)c1ccc(CN(Cc2c[nH]c(-c3ccccc3)n2)C2CC2)cc1 ZINC000768258127 1045767506 /nfs/dbraw/zinc/76/75/06/1045767506.db2.gz PLUPNNLBNOIGIR-UHFFFAOYSA-N 0 1 346.478 4.307 20 10 EICDMN C[C@@H]1C[C@H]1c1ccc(CN(Cc2cc3c(cc2O)OCO3)C2CC2)o1 ZINC000768258144 1045768264 /nfs/dbraw/zinc/76/82/64/1045768264.db2.gz QQPLYMUIUSWUSV-MLGOLLRUSA-N 0 1 341.407 4.002 20 10 EICDMN C[C@@H]([NH2+][C@@H](C)CC(F)(F)F)c1cc(Br)ccc1[O-] ZINC000768272502 1045775896 /nfs/dbraw/zinc/77/58/96/1045775896.db2.gz SHLXHYDXEWDVPP-JGVFFNPUSA-N 0 1 326.156 4.146 20 10 EICDMN Cc1ccc(O)c(CN2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1 ZINC000769307305 1045914552 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[O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000809767780 1048504305 /nfs/dbraw/zinc/50/43/05/1048504305.db2.gz SYBMUMOXYSCENX-INIZCTEOSA-N 0 1 341.842 4.060 20 10 EICDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000809767780 1048504320 /nfs/dbraw/zinc/50/43/20/1048504320.db2.gz SYBMUMOXYSCENX-INIZCTEOSA-N 0 1 341.842 4.060 20 10 EICDMN CC[N@@H+](Cc1cc(C)cc(Br)c1[O-])[C@@H](C)c1cccnc1 ZINC000809764375 1048525458 /nfs/dbraw/zinc/52/54/58/1048525458.db2.gz FCDMYIDXNGSTEB-ZDUSSCGKSA-N 0 1 349.272 4.441 20 10 EICDMN C[C@H]([NH2+]CCc1cccc(C(F)(F)F)n1)c1cc(Cl)ccc1[O-] ZINC000815636995 1048565922 /nfs/dbraw/zinc/56/59/22/1048565922.db2.gz IHNKYMUUJSKCOS-JTQLQIEISA-N 0 1 344.764 4.353 20 10 EICDMN Oc1cc(F)c(Br)cc1CN1CC[C@@H]1c1ccccc1 ZINC001144306553 1048581947 /nfs/dbraw/zinc/58/19/47/1048581947.db2.gz GSVPWHKGBIOTAU-OAHLLOKOSA-N 0 1 336.204 4.241 20 10 EICDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001144306936 1048585668 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CC1=C(Br)CN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC001181267307 1051194277 /nfs/dbraw/zinc/19/42/77/1051194277.db2.gz QEXKZBPZFJJOMK-UHFFFAOYSA-N 0 1 334.616 4.059 20 10 EICDMN Cc1ccc(Br)c(C[NH2+]Cc2ccc(Cl)cc2[O-])c1 ZINC001182424140 1051545495 /nfs/dbraw/zinc/54/54/95/1051545495.db2.gz OOVSIJXKRNQIMV-UHFFFAOYSA-N 0 1 340.648 4.406 20 10 EICDMN CC[C@H]([NH2+]CCCN1CCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775485185 1051555991 /nfs/dbraw/zinc/55/59/91/1051555991.db2.gz PQZZEOSXAWTKNV-AWEZNQCLSA-N 0 1 331.287 4.226 20 10 EICDMN CC[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1cc(Cl)ccc1[O-] ZINC000775491212 1051574806 /nfs/dbraw/zinc/57/48/06/1051574806.db2.gz CGIAHHXDTFZIQY-KRWDZBQOSA-N 0 1 345.874 4.282 20 10 EICDMN CC[C@@H]([NH2+]CCN1Cc2ccccc2C1)c1cc(Cl)ccc1[O-] ZINC000775496334 1051615507 /nfs/dbraw/zinc/61/55/07/1051615507.db2.gz GNNOBYRJKIIENS-GOSISDBHSA-N 0 1 330.859 4.102 20 10 EICDMN CC[C@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cc(Cl)ccc1[O-] ZINC000775504181 1051645318 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BVEPRKFVQCMCSP-UHFFFAOYSA-N 0 1 340.595 4.039 20 10 EICDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000708134345 1027414979 /nfs/dbraw/zinc/41/49/79/1027414979.db2.gz RUQWKEPDNILIET-AOOOYVTPSA-N 0 1 330.653 4.040 20 10 EICDMN COc1ccc([C@H]2CCC[N@@H+]2Cc2c([O-])ccc3ccncc32)cc1 ZINC000021968737 1029027569 /nfs/dbraw/zinc/02/75/69/1029027569.db2.gz QCYGVQTZWBKBTA-HXUWFJFHSA-N 0 1 334.419 4.286 20 10 EICDMN COc1ccc([C@H]2CCC[N@H+]2Cc2c([O-])ccc3ccncc32)cc1 ZINC000021968737 1029027588 /nfs/dbraw/zinc/02/75/88/1029027588.db2.gz QCYGVQTZWBKBTA-HXUWFJFHSA-N 0 1 334.419 4.286 20 10 EICDMN Cc1ccc(O)c([C@@H](C)NCc2nnc(-c3ccccc3)s2)c1 ZINC000186105125 1030249174 /nfs/dbraw/zinc/24/91/74/1030249174.db2.gz JOWUBWKLBOCXQZ-CYBMUJFWSA-N 0 1 325.437 4.070 20 10 EICDMN C[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000527929646 1030970057 /nfs/dbraw/zinc/97/00/57/1030970057.db2.gz DVGYGZZZBFLVEC-LRDDRELGSA-N 0 1 349.356 4.196 20 10 EICDMN Cc1nc(C)c(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])s1 ZINC000273361036 1037435716 /nfs/dbraw/zinc/43/57/16/1037435716.db2.gz AHUTTXYBRLHBTN-MRVPVSSYSA-N 0 1 341.274 4.079 20 10 EICDMN Cc1ccc([C@H](C)NCc2nn(-c3ccccc3)c3c2CCC3)c(O)c1 ZINC000273385081 1037445234 /nfs/dbraw/zinc/44/52/34/1037445234.db2.gz JIXPJWAGKXSEHM-INIZCTEOSA-N 0 1 347.462 4.226 20 10 EICDMN C[C@@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000273516827 1037489659 /nfs/dbraw/zinc/48/96/59/1037489659.db2.gz SRWUVYRTBXTLMR-DRONIGIMSA-N 0 1 337.872 4.195 20 10 EICDMN CC[C@@H](N[C@@H](C)c1ccc(C)c(C)c1O)c1nnc2n1CCCCC2 ZINC000273579592 1037510924 /nfs/dbraw/zinc/51/09/24/1037510924.db2.gz MJNGSDKRLPQLBU-DOTOQJQBSA-N 0 1 342.487 4.129 20 10 EICDMN CC[C@H]([NH2+]Cc1ccsc1)c1cc(Br)ccc1[O-] ZINC000063152086 1038035343 /nfs/dbraw/zinc/03/53/43/1038035343.db2.gz WVHUYTPZZONJPH-ZDUSSCGKSA-N 0 1 326.259 4.457 20 10 EICDMN CC[N@@H+](Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C)oc21)C1CC1 ZINC000912855066 1038371903 /nfs/dbraw/zinc/37/19/03/1038371903.db2.gz KACLVDSBBCWQDK-UHFFFAOYSA-N 0 1 349.430 4.458 20 10 EICDMN CCCCN(Cc1nnc(-c2ccccc2)o1)Cc1ccccc1O ZINC000282476216 1043205790 /nfs/dbraw/zinc/20/57/90/1043205790.db2.gz OHVLBGSPWVDWJR-UHFFFAOYSA-N 0 1 337.423 4.245 20 10 EICDMN C[C@H](Cc1cccc(F)c1)[NH2+]Cc1ccc(Br)cc1[O-] ZINC001168465683 1043574673 /nfs/dbraw/zinc/57/46/73/1043574673.db2.gz VBFUQEMEHWSPTD-LLVKDONJSA-N 0 1 338.220 4.015 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000113317034 1043721649 /nfs/dbraw/zinc/72/16/49/1043721649.db2.gz ARHZCYPYSMKOCP-UHFFFAOYSA-N 0 1 345.748 4.277 20 10 EICDMN CC(C)(C)c1noc(CN(Cc2ccccc2O)C2CCCC2)n1 ZINC000731847305 1043834938 /nfs/dbraw/zinc/83/49/38/1043834938.db2.gz IMBZSJIIWPYREU-UHFFFAOYSA-N 0 1 329.444 4.018 20 10 EICDMN C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N(C)Cc1ccccc1O ZINC000731842832 1043835854 /nfs/dbraw/zinc/83/58/54/1043835854.db2.gz IOGHSLNPRADREP-OAHLLOKOSA-N 0 1 340.467 4.149 20 10 EICDMN [O-]c1ccc2ccccc2c1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000732202030 1043886241 /nfs/dbraw/zinc/88/62/41/1043886241.db2.gz DYNHJIOAUIXPNH-GOSISDBHSA-N 0 1 325.452 4.469 20 10 EICDMN [O-]c1ccc2ccccc2c1C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000732202030 1043886244 /nfs/dbraw/zinc/88/62/44/1043886244.db2.gz DYNHJIOAUIXPNH-GOSISDBHSA-N 0 1 325.452 4.469 20 10 EICDMN CC[C@@H]([NH2+]CCC1(F)CCC1)c1cc(Br)ccc1[O-] ZINC000702486054 1043958773 /nfs/dbraw/zinc/95/87/73/1043958773.db2.gz BLHXTUOZGSMLNK-CYBMUJFWSA-N 0 1 330.241 4.478 20 10 EICDMN COCC1CC[NH+](Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000732797672 1044008452 /nfs/dbraw/zinc/00/84/52/1044008452.db2.gz DTVAYZRLABQZNK-UHFFFAOYSA-N 0 1 325.408 4.150 20 10 EICDMN CN(C)CC[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(C)(C)C ZINC000734849503 1044699620 /nfs/dbraw/zinc/69/96/20/1044699620.db2.gz IKVFXNUKROMECY-AWEZNQCLSA-N 0 1 333.303 4.155 20 10 EICDMN c1ccn(-c2ccc(-c3nc(-c4ccc5[nH]cnc5c4)no3)cc2)c1 ZINC000762116243 1044933498 /nfs/dbraw/zinc/93/34/98/1044933498.db2.gz 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ZINC000768207030 1045742634 /nfs/dbraw/zinc/74/26/34/1045742634.db2.gz ODBFTXGDALSRRP-UHFFFAOYSA-N 0 1 330.859 4.278 20 10 EICDMN COCC[N@@H+](Cc1cccs1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000768196522 1045750264 /nfs/dbraw/zinc/75/02/64/1045750264.db2.gz DTYJDMFIENOUPJ-UHFFFAOYSA-N 0 1 346.279 4.409 20 10 EICDMN [O-]c1c(Br)cccc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000768231682 1045759058 /nfs/dbraw/zinc/75/90/58/1045759058.db2.gz VXOCIYHTKBHYSF-UHFFFAOYSA-N 0 1 332.241 4.319 20 10 EICDMN Cc1ccc(C[N@@H+](Cc2cccc(Br)c2[O-])C2CC2)o1 ZINC000768257554 1045768448 /nfs/dbraw/zinc/76/84/48/1045768448.db2.gz MJFIZXLZGNTBDA-UHFFFAOYSA-N 0 1 336.229 4.221 20 10 EICDMN COc1cc(CN2CCC[C@H]2c2ccc(F)c(F)c2)c(O)cc1C ZINC000768449720 1045809129 /nfs/dbraw/zinc/80/91/29/1045809129.db2.gz ZKOIMMZEBAGRRP-KRWDZBQOSA-N 0 1 333.378 4.325 20 10 EICDMN Cc1csc(C2(NCc3cc4c(cc3O)CCCC4)CCC2)n1 ZINC000768464476 1045810544 /nfs/dbraw/zinc/81/05/44/1045810544.db2.gz ADPCHNGKXMZSQF-UHFFFAOYSA-N 0 1 328.481 4.205 20 10 EICDMN COCc1ccc([C@@H]2CCC[N@H+]2Cc2cc(Cl)cc(F)c2[O-])o1 ZINC000768540473 1045818347 /nfs/dbraw/zinc/81/83/47/1045818347.db2.gz HYBZHXFPMNSQLL-HNNXBMFYSA-N 0 1 339.794 4.261 20 10 EICDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000768908133 1045858492 /nfs/dbraw/zinc/85/84/92/1045858492.db2.gz CHXOFYPAFLDDFI-CQSZACIVSA-N 0 1 340.373 4.208 20 10 EICDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000768908133 1045858493 /nfs/dbraw/zinc/85/84/93/1045858493.db2.gz CHXOFYPAFLDDFI-CQSZACIVSA-N 0 1 340.373 4.208 20 10 EICDMN C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000792174663 1045871780 /nfs/dbraw/zinc/87/17/80/1045871780.db2.gz YFFUGKYQDMVCGD-IUCAKERBSA-N 0 1 325.733 4.348 20 10 EICDMN CCOc1cccc(CN2CCC[C@@H]2c2ccc(F)c(F)c2)c1O ZINC000769428158 1045958271 /nfs/dbraw/zinc/95/82/71/1045958271.db2.gz MSLSTGRKGMHNPT-QGZVFWFLSA-N 0 1 333.378 4.406 20 10 EICDMN COCCN(Cc1ccc(C)o1)Cc1ccc(N2CCCCC2)cc1 ZINC000769501760 1045996200 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[O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000770325639 1046181666 /nfs/dbraw/zinc/18/16/66/1046181666.db2.gz JNLJGMYJXSWGLE-MJGOQNOKSA-N 0 1 349.833 4.273 20 10 EICDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000770325639 1046181677 /nfs/dbraw/zinc/18/16/77/1046181677.db2.gz JNLJGMYJXSWGLE-MJGOQNOKSA-N 0 1 349.833 4.273 20 10 EICDMN C[C@@H](NCc1ccn(Cc2ccccc2)n1)c1cc(Cl)ccc1O ZINC000793565872 1046294030 /nfs/dbraw/zinc/29/40/30/1046294030.db2.gz IYIZKIYTJDIUAN-CQSZACIVSA-N 0 1 341.842 4.141 20 10 EICDMN CC[C@H](NCc1ccn(Cc2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000793567676 1046295756 /nfs/dbraw/zinc/29/57/56/1046295756.db2.gz MIAKUWCSJYIWSC-QFIPXVFZSA-N 0 1 348.494 4.238 20 10 EICDMN C[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1ccc2ccccc2c1[O-] ZINC000793574349 1046305799 /nfs/dbraw/zinc/30/57/99/1046305799.db2.gz RWWXLQQUEJBUFG-CQSZACIVSA-N 0 1 331.419 4.315 20 10 EICDMN CCOc1cccc(CN(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000771934902 1046528514 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CCc1csc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000806315656 1047228793 /nfs/dbraw/zinc/22/87/93/1047228793.db2.gz MUUVASKYMDBGHG-UHFFFAOYSA-N 0 1 346.239 4.040 20 10 EICDMN [O-]c1ccc2oc3c(c2c1C[N@@H+]1CC[C@]2(C1)CCCOC2)CCCC3 ZINC000789564501 1047441559 /nfs/dbraw/zinc/44/15/59/1047441559.db2.gz HAZUQBSNBSIASG-NRFANRHFSA-N 0 1 341.451 4.020 20 10 EICDMN [O-]c1ccc2oc3c(c2c1C[N@H+]1CC[C@]2(C1)CCCOC2)CCCC3 ZINC000789564501 1047441569 /nfs/dbraw/zinc/44/15/69/1047441569.db2.gz HAZUQBSNBSIASG-NRFANRHFSA-N 0 1 341.451 4.020 20 10 EICDMN C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccsc1 ZINC000807840290 1047513112 /nfs/dbraw/zinc/51/31/12/1047513112.db2.gz XHPRSRXQEUHWIH-QMMMGPOBSA-N 0 1 330.236 4.180 20 10 EICDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c1[O-] ZINC001170535129 1047519726 /nfs/dbraw/zinc/51/97/26/1047519726.db2.gz FXPVNAGKQCKZBX-ZDUSSCGKSA-N 0 1 347.817 4.377 20 10 EICDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](c3ccccc3F)C2)c1[O-] ZINC001170535129 1047519744 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ZINC000808428684 1047938339 /nfs/dbraw/zinc/93/83/39/1047938339.db2.gz LIMTZODFZRSFPA-UHFFFAOYSA-N 0 1 344.327 4.339 20 10 EICDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2([C@H](C)CCO)CCC2)c1[O-] ZINC000808710638 1048054888 /nfs/dbraw/zinc/05/48/88/1048054888.db2.gz SUSOOTGTAUUBKS-ZIAGYGMSSA-N 0 1 325.880 4.193 20 10 EICDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](CCO)c2ccccc2)c1[O-] ZINC000808697854 1048079964 /nfs/dbraw/zinc/07/99/64/1048079964.db2.gz XJFMRPPKPBXOCF-HOCLYGCPSA-N 0 1 333.859 4.171 20 10 EICDMN CCN(Cc1ccccc1O)Cc1ccc(OC(F)(F)F)cc1F ZINC001143791602 1048205268 /nfs/dbraw/zinc/20/52/68/1048205268.db2.gz WLEFKCJIOGXBSQ-UHFFFAOYSA-N 0 1 343.320 4.452 20 10 EICDMN CCN(C)c1ccc(CN[C@@H](COC)c2cccc(Cl)c2)cc1 ZINC000815119661 1048336327 /nfs/dbraw/zinc/33/63/27/1048336327.db2.gz CQAOWUXTUMAXJF-IBGZPJMESA-N 0 1 332.875 4.273 20 10 EICDMN [O-]c1cccc(Cl)c1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000809700118 1048465331 /nfs/dbraw/zinc/46/53/31/1048465331.db2.gz XVHORLSDDCIBNJ-SZVBFZGTSA-N 0 1 343.854 4.050 20 10 EICDMN [O-]c1cccc(Cl)c1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000809700118 1048465338 /nfs/dbraw/zinc/46/53/38/1048465338.db2.gz XVHORLSDDCIBNJ-SZVBFZGTSA-N 0 1 343.854 4.050 20 10 EICDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC=C(c3ccco3)C2)c1 ZINC000809688164 1048478878 /nfs/dbraw/zinc/47/88/78/1048478878.db2.gz CRCDBMREQVJLQC-UHFFFAOYSA-N 0 1 348.240 4.345 20 10 EICDMN C[C@H](CSC(C)(C)C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000809713193 1048491992 /nfs/dbraw/zinc/49/19/92/1048491992.db2.gz LMXHJRXXSRQOMV-SNVBAGLBSA-N 0 1 332.307 4.165 20 10 EICDMN CN(C)c1ccc(CN(Cc2ccco2)C[C@@H]2CCC=CO2)cc1 ZINC000809731926 1048485526 /nfs/dbraw/zinc/48/55/26/1048485526.db2.gz XJTAMTCCZKXQPK-IBGZPJMESA-N 0 1 326.440 4.041 20 10 EICDMN [O-]c1ccc(Br)cc1C[NH2+]C1CCC(C(F)F)CC1 ZINC000809712465 1048491516 /nfs/dbraw/zinc/49/15/16/1048491516.db2.gz NWFNVRCWJNYTIK-UHFFFAOYSA-N 0 1 334.204 4.068 20 10 EICDMN CCc1cccc(F)c1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000809712759 1048491556 /nfs/dbraw/zinc/49/15/56/1048491556.db2.gz DPQOYPAVEJAPFO-UHFFFAOYSA-N 0 1 338.220 4.146 20 10 EICDMN COc1ccc(O)c(CN(Cc2cccnc2)Cc2ccccc2C)c1 ZINC000809736020 1048507992 /nfs/dbraw/zinc/50/79/92/1048507992.db2.gz ZEZRYZXBJMGELE-UHFFFAOYSA-N 0 1 348.446 4.307 20 10 EICDMN CC[C@H]([NH2+]CCc1ccccc1O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810214573 1048684276 /nfs/dbraw/zinc/68/42/76/1048684276.db2.gz BTTWSLVRBMDFBX-HNNXBMFYSA-N 0 1 339.357 4.400 20 10 EICDMN CC[C@H]([NH2+]CC1([C@@H](O)C(C)C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810230025 1048698058 /nfs/dbraw/zinc/69/80/58/1048698058.db2.gz QLFPZVSOAJBQPN-HOCLYGCPSA-N 0 1 345.405 4.249 20 10 EICDMN COc1ccc([C@H]2CCCN2Cc2cc(F)cc(C(C)=O)c2O)cc1 ZINC000748046911 1048702392 /nfs/dbraw/zinc/70/23/92/1048702392.db2.gz WVCUGGIDRHAOEL-LJQANCHMSA-N 0 1 343.398 4.080 20 10 EICDMN CC[C@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810259682 1048711884 /nfs/dbraw/zinc/71/18/84/1048711884.db2.gz PEZPAVXYYHDSEC-LSDHHAIUSA-N 0 1 331.378 4.003 20 10 EICDMN CC[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810240830 1048724548 /nfs/dbraw/zinc/72/45/48/1048724548.db2.gz GRLZYIFLNRHCQO-ZOWXZIJZSA-N 0 1 331.378 4.124 20 10 EICDMN CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816521116 1048819717 /nfs/dbraw/zinc/81/97/17/1048819717.db2.gz HPECPAMAGAUALW-INIZCTEOSA-N 0 1 341.451 4.101 20 10 EICDMN CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816521116 1048819719 /nfs/dbraw/zinc/81/97/19/1048819719.db2.gz HPECPAMAGAUALW-INIZCTEOSA-N 0 1 341.451 4.101 20 10 EICDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000816502689 1048821869 /nfs/dbraw/zinc/82/18/69/1048821869.db2.gz LUELLWNNUWJANY-GOSISDBHSA-N 0 1 335.806 4.148 20 10 EICDMN COc1ccccc1[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816514821 1048822683 /nfs/dbraw/zinc/82/26/83/1048822683.db2.gz IFQZPNOCUXHVFL-GFCCVEGCSA-N 0 1 335.806 4.183 20 10 EICDMN C[C@@]1(c2ccccc2)C[N@H+](Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816509229 1048822825 /nfs/dbraw/zinc/82/28/25/1048822825.db2.gz IRSOUASYKWGITH-QFIPXVFZSA-N 0 1 333.431 4.293 20 10 EICDMN C[C@@]1(c2ccccc2)C[N@@H+](Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816509229 1048822827 /nfs/dbraw/zinc/82/28/27/1048822827.db2.gz IRSOUASYKWGITH-QFIPXVFZSA-N 0 1 333.431 4.293 20 10 EICDMN CN(Cc1nc2c(s1)CCCC2)Cc1cc(Cl)c(F)cc1O ZINC000816509572 1048823490 /nfs/dbraw/zinc/82/34/90/1048823490.db2.gz VTBZSLIBEOEXMU-UHFFFAOYSA-N 0 1 340.851 4.152 20 10 EICDMN CCn1c2ccccc2nc1[C@@H](C)N[C@H](C)c1cccc(OC)c1O ZINC000846156775 1048825061 /nfs/dbraw/zinc/82/50/61/1048825061.db2.gz YBLUTGQGXYMWRT-ZIAGYGMSSA-N 0 1 339.439 4.182 20 10 EICDMN [O-]c1c(C[NH2+]CCc2ccccc2OC(F)F)ccc2ccccc21 ZINC000816588878 1048832214 /nfs/dbraw/zinc/83/22/14/1048832214.db2.gz DEHAKOIPPPVFIX-UHFFFAOYSA-N 0 1 343.373 4.479 20 10 EICDMN COc1cccc(O[C@H](C)C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816553884 1048834010 /nfs/dbraw/zinc/83/40/10/1048834010.db2.gz JFWMFZKRGHFTIL-OAHLLOKOSA-N 0 1 337.419 4.111 20 10 EICDMN C[C@H](C[C@@H](O)c1cccs1)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816559244 1048835084 /nfs/dbraw/zinc/83/50/84/1048835084.db2.gz COZCXWKBINWRNK-CXAGYDPISA-N 0 1 327.449 4.209 20 10 EICDMN [O-]c1cc(F)c(Cl)cc1CNc1cccc(CC[NH+]2CCCC2)c1 ZINC000816558930 1048835608 /nfs/dbraw/zinc/83/56/08/1048835608.db2.gz QVCDLVIIRSZCJK-UHFFFAOYSA-N 0 1 348.849 4.435 20 10 EICDMN CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816570342 1048837350 /nfs/dbraw/zinc/83/73/50/1048837350.db2.gz QVIFFKOGQAYMJV-INIZCTEOSA-N 0 1 341.451 4.099 20 10 EICDMN CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816570342 1048837358 /nfs/dbraw/zinc/83/73/58/1048837358.db2.gz QVIFFKOGQAYMJV-INIZCTEOSA-N 0 1 341.451 4.099 20 10 EICDMN COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816601139 1048842557 /nfs/dbraw/zinc/84/25/57/1048842557.db2.gz SQCIIHDGHLAOFC-LJQANCHMSA-N 0 1 337.394 4.470 20 10 EICDMN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@H](CCO)CC1 ZINC000817419819 1048966947 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[O-]c1c(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)ccc2ccccc21 ZINC000822530267 1049767914 /nfs/dbraw/zinc/76/79/14/1049767914.db2.gz WAQDRHNIKIUFAN-NRFANRHFSA-N 0 1 337.463 4.327 20 10 EICDMN [O-]c1c(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)ccc2ccccc21 ZINC000822530267 1049767918 /nfs/dbraw/zinc/76/79/18/1049767918.db2.gz WAQDRHNIKIUFAN-NRFANRHFSA-N 0 1 337.463 4.327 20 10 EICDMN CNC(=O)Oc1cccc(NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000813791315 1049817072 /nfs/dbraw/zinc/81/70/72/1049817072.db2.gz GFRNQIOLZMLIBW-UHFFFAOYSA-N 0 1 341.194 4.029 20 10 EICDMN C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1cc(Cl)ccc1[O-] ZINC000813882914 1049831819 /nfs/dbraw/zinc/83/18/19/1049831819.db2.gz AFYSZQIIVXAGFI-GXTWGEPZSA-N 0 1 334.822 4.114 20 10 EICDMN CN(C)c1ccc(/C=C/CNCc2ccccc2Br)cc1 ZINC001177541948 1050249421 /nfs/dbraw/zinc/24/94/21/1050249421.db2.gz GMBVDHCPBHOSAH-AATRIKPKSA-N 0 1 345.284 4.318 20 10 EICDMN CC(C)([NH2+]Cc1ccc(Br)cc1[O-])c1cccs1 ZINC000825283382 1050527739 /nfs/dbraw/zinc/52/77/39/1050527739.db2.gz LEQFOQFTQQQLQI-UHFFFAOYSA-N 0 1 326.259 4.241 20 10 EICDMN Cc1ccccc1[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC001178595466 1050503576 /nfs/dbraw/zinc/50/35/76/1050503576.db2.gz PQVRPTKHUQRWQD-HDJSIYSDSA-N 0 1 346.268 4.499 20 10 EICDMN Cc1c2ccccc2n(C)c1CNc1ccc(F)c(-c2nc[nH]n2)c1 ZINC001178712805 1050537788 /nfs/dbraw/zinc/53/77/88/1050537788.db2.gz CXVVJQBHCHABGK-UHFFFAOYSA-N 0 1 335.386 4.023 20 10 EICDMN COc1ccc(O)c(CN[C@@H](c2ccccc2)c2ccccc2OC)c1 ZINC000182203415 1050542291 /nfs/dbraw/zinc/54/22/91/1050542291.db2.gz JFRNJTXYZUKRAS-QFIPXVFZSA-N 0 1 349.430 4.289 20 10 EICDMN COc1ccc(O)c([C@H](C)NCc2csc(-c3ccsc3)n2)c1 ZINC000182321413 1050604504 /nfs/dbraw/zinc/60/45/04/1050604504.db2.gz HWHDCPDGQGMVBU-NSHDSACASA-N 0 1 346.477 4.437 20 10 EICDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@H]2CC(C)C)c1 ZINC001180129503 1050882400 /nfs/dbraw/zinc/88/24/00/1050882400.db2.gz UTOCAMRLEUDRDH-CQSZACIVSA-N 0 1 326.278 4.474 20 10 EICDMN Nc1ccc(OC(=O)c2ccc(Nc3cccc4[nH]ncc43)cc2)cc1 ZINC001174345205 1050901830 /nfs/dbraw/zinc/90/18/30/1050901830.db2.gz NOPKHZRXZIAOOS-UHFFFAOYSA-N 0 1 344.374 4.108 20 10 EICDMN C[N@@H+](CCCOc1cccc(Cl)c1)Cc1cc(F)cc(F)c1[O-] ZINC001180164877 1050910039 /nfs/dbraw/zinc/91/00/39/1050910039.db2.gz CWATUUULAWLJNQ-UHFFFAOYSA-N 0 1 341.785 4.225 20 10 EICDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H](C(C)(C)C)C2)c1 ZINC001180317979 1050948920 /nfs/dbraw/zinc/94/89/20/1050948920.db2.gz TYUXTSJGUOIBKW-CYBMUJFWSA-N 0 1 326.278 4.331 20 10 EICDMN COc1ccc(C[N@@H+](Cc2cc(F)cc(F)c2[O-])[C@@H](C)C2CC2)cc1 ZINC001180574320 1051026559 /nfs/dbraw/zinc/02/65/59/1051026559.db2.gz SBEVSSBTUKHZFR-ZDUSSCGKSA-N 0 1 347.405 4.480 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c1[O-] ZINC001191048685 1051346750 /nfs/dbraw/zinc/34/67/50/1051346750.db2.gz RCLXKVQMMOPAAD-AWEZNQCLSA-N 0 1 347.817 4.377 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c1[O-] ZINC001191048685 1051346755 /nfs/dbraw/zinc/34/67/55/1051346755.db2.gz RCLXKVQMMOPAAD-AWEZNQCLSA-N 0 1 347.817 4.377 20 10 EICDMN CC[N@@H+](Cc1cc(C)cc(Br)c1[O-])C1CC(C)(C)C1 ZINC001182325714 1051500226 /nfs/dbraw/zinc/50/02/26/1051500226.db2.gz CNBWRUDUWGNKAT-UHFFFAOYSA-N 0 1 326.278 4.474 20 10 EICDMN CC[C@@H]([NH2+]CCCN1CCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775485186 1051556562 /nfs/dbraw/zinc/55/65/62/1051556562.db2.gz PQZZEOSXAWTKNV-CQSZACIVSA-N 0 1 331.287 4.226 20 10 EICDMN CC[C@H]([NH2+]Cc1ccc(OC)cc1OC)c1cc(Cl)ccc1[O-] ZINC000775490280 1051573277 /nfs/dbraw/zinc/57/32/77/1051573277.db2.gz BAXUGOSLZLRWPN-INIZCTEOSA-N 0 1 335.831 4.304 20 10 EICDMN CC[C@H](N[C@@H](C)c1nnc2n1CCCCC2)c1cc(Cl)ccc1O ZINC000775492827 1051592848 /nfs/dbraw/zinc/59/28/48/1051592848.db2.gz SUVAPSGMFXLIAK-WFASDCNBSA-N 0 1 348.878 4.165 20 10 EICDMN CC[C@@H]([NH2+]CCCCNc1ccccn1)c1cc(Cl)ccc1[O-] ZINC000775499683 1051624724 /nfs/dbraw/zinc/62/47/24/1051624724.db2.gz TWTBEDDYJQLQQU-MRXNPFEDSA-N 0 1 333.863 4.374 20 10 EICDMN CC[C@H]([NH2+]CCNc1ccccc1)c1cc(Br)ccc1[O-] ZINC000775513357 1051654091 /nfs/dbraw/zinc/65/40/91/1051654091.db2.gz XXYQIQBKINQVCB-INIZCTEOSA-N 0 1 349.272 4.308 20 10 EICDMN CC[C@@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000775521108 1051678256 /nfs/dbraw/zinc/67/82/56/1051678256.db2.gz QQRFZLGEBQTAAF-MJGOQNOKSA-N 0 1 331.843 4.400 20 10 EICDMN CC[C@@H]([NH2+]C[C@H]1OCCc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000775521107 1051678658 /nfs/dbraw/zinc/67/86/58/1051678658.db2.gz QQRFZLGEBQTAAF-IEBWSBKVSA-N 0 1 331.843 4.400 20 10 EICDMN CC[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)c1cc(Cl)ccc1[O-] ZINC000775523957 1051699177 /nfs/dbraw/zinc/69/91/77/1051699177.db2.gz BRFOQEIKXRRRCA-XNISGKROSA-N 0 1 343.945 4.466 20 10 EICDMN CC[C@@H]([NH2+][C@@H](CC)c1cc(Br)ccc1[O-])[C@H]1CCCO1 ZINC000775525184 1051705236 /nfs/dbraw/zinc/70/52/36/1051705236.db2.gz YFWOLDRMPHIMAH-SQWLQELKSA-N 0 1 342.277 4.153 20 10 EICDMN CC[C@H]([NH2+]CCCc1c(C)nn(C)c1C)c1cc(Cl)ccc1[O-] ZINC000775531891 1051748079 /nfs/dbraw/zinc/74/80/79/1051748079.db2.gz OZSCYARGIYAXOX-KRWDZBQOSA-N 0 1 335.879 4.069 20 10 EICDMN CC[C@H](Nc1cnn(-c2ccncc2)c1)c1cc(Cl)ccc1O ZINC000775541878 1051791576 /nfs/dbraw/zinc/79/15/76/1051791576.db2.gz HPWACQILLUMFBP-INIZCTEOSA-N 0 1 328.803 4.190 20 10 EICDMN [O-]c1c(C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)ccc2ccccc21 ZINC001183886711 1051914102 /nfs/dbraw/zinc/91/41/02/1051914102.db2.gz UQDYPLYJOPXEAF-HNNXBMFYSA-N 0 1 338.476 4.457 20 10 EICDMN [O-]c1c(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)ccc2ccccc21 ZINC001183886711 1051914112 /nfs/dbraw/zinc/91/41/12/1051914112.db2.gz UQDYPLYJOPXEAF-HNNXBMFYSA-N 0 1 338.476 4.457 20 10 EICDMN O=C(Nc1cccc2c(Cl)ccnc12)c1cc(O)c(O)c(Cl)c1 ZINC001193625729 1051956103 /nfs/dbraw/zinc/95/61/03/1051956103.db2.gz RIDLVWZZZNADHF-UHFFFAOYSA-N 0 1 349.173 4.205 20 10 EICDMN CCCc1nc2ccc(NC(=O)c3cc(O)c(O)c(Cl)c3)cc2o1 ZINC001193624423 1051956831 /nfs/dbraw/zinc/95/68/31/1051956831.db2.gz DKIOZYLYWJUPEG-UHFFFAOYSA-N 0 1 346.770 4.097 20 10 EICDMN Cc1cc(N(C)C)ccc1CNCc1cccc(F)c1OC(F)F ZINC000850137006 1053075868 /nfs/dbraw/zinc/07/58/68/1053075868.db2.gz IBUQCCDGBMMJRC-UHFFFAOYSA-N 0 1 338.373 4.091 20 10 EICDMN CSCC1(CC[NH2+][C@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000850506155 1053263264 /nfs/dbraw/zinc/26/32/64/1053263264.db2.gz HMSFSBUDBQDULH-LLVKDONJSA-N 0 1 344.318 4.339 20 10 EICDMN C[C@H](N[C@@H](C)c1cc(Br)ccc1O)c1cscn1 ZINC000850511475 1053269495 /nfs/dbraw/zinc/26/94/95/1053269495.db2.gz FYAJPHKZGIFUPH-IUCAKERBSA-N 0 1 327.247 4.023 20 10 EICDMN C[C@@H]([NH2+]CCCOC(C)(C)C)c1ccc(Br)cc1[O-] ZINC000850524195 1053284889 /nfs/dbraw/zinc/28/48/89/1053284889.db2.gz AMXQBKHAANJZKN-LLVKDONJSA-N 0 1 330.266 4.011 20 10 EICDMN C[C@@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1ccc(Br)cc1[O-] ZINC000850537653 1053301769 /nfs/dbraw/zinc/30/17/69/1053301769.db2.gz WQOOUUKHUIHEOY-RNCFNFMXSA-N 0 1 334.204 4.241 20 10 EICDMN CC[C@@H](N[C@H](c1nccn1C)c1ccccc1)c1ccc(C)cc1O ZINC000794793276 1053386938 /nfs/dbraw/zinc/38/69/38/1053386938.db2.gz NMFOPEVGIXYADL-QUCCMNQESA-N 0 1 335.451 4.264 20 10 EICDMN COc1ccc(O)c(CN2CCCC[C@H]2c2nc3ccccc3o2)c1 ZINC000775727776 1053709413 /nfs/dbraw/zinc/70/94/13/1053709413.db2.gz KOLOICNERLELDA-KRWDZBQOSA-N 0 1 338.407 4.269 20 10 EICDMN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(F)cc1OC(F)F ZINC000765607303 1053798786 /nfs/dbraw/zinc/79/87/86/1053798786.db2.gz AAZGNGKKULHJMM-NSHDSACASA-N 0 1 337.341 4.213 20 10 EICDMN CCC[N@H+](Cc1ccc(OC)cc1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC001196907680 1053806495 /nfs/dbraw/zinc/80/64/95/1053806495.db2.gz MNSWLFQZSZRWHX-UHFFFAOYSA-N 0 1 345.414 4.155 20 10 EICDMN CCC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC001196907680 1053806497 /nfs/dbraw/zinc/80/64/97/1053806497.db2.gz MNSWLFQZSZRWHX-UHFFFAOYSA-N 0 1 345.414 4.155 20 10 EICDMN C[C@@H](NCc1ccc(Oc2ccccc2)nn1)c1ccc(N(C)C)cc1 ZINC000775835695 1054118607 /nfs/dbraw/zinc/11/86/07/1054118607.db2.gz HWTICSVBGDAACO-MRXNPFEDSA-N 0 1 348.450 4.186 20 10 EICDMN CC(C)c1ncc2c(n1)CCN(Cc1ccc3ccccc3c1O)C2 ZINC000857878208 1054378083 /nfs/dbraw/zinc/37/80/83/1054378083.db2.gz UTYAYTKLNVWTHM-UHFFFAOYSA-N 0 1 333.435 4.017 20 10 EICDMN Cc1cnc(CC[N@@H+](Cc2ccco2)Cc2ccccc2O)c(C)c1 ZINC000828062149 1054419047 /nfs/dbraw/zinc/41/90/47/1054419047.db2.gz CESHDLCCJGAGDE-UHFFFAOYSA-N 0 1 336.435 4.242 20 10 EICDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1CCCOc2ccccc21 ZINC000858119151 1054421794 /nfs/dbraw/zinc/42/17/94/1054421794.db2.gz MHBPPSGQSIRRDP-HNNXBMFYSA-N 0 1 348.240 4.158 20 10 EICDMN [O-]c1cccc(Br)c1C[NH2+]C1CCC(C(F)F)CC1 ZINC000858178054 1054431208 /nfs/dbraw/zinc/43/12/08/1054431208.db2.gz REDWDZCUKUKOHS-UHFFFAOYSA-N 0 1 334.204 4.068 20 10 EICDMN Cc1cc(CNCc2cnc(C3CC3)nc2)c(C)n1-c1cccc(C)c1 ZINC000858292631 1054456291 /nfs/dbraw/zinc/45/62/91/1054456291.db2.gz CARRLQVZVLFJTF-UHFFFAOYSA-N 0 1 346.478 4.360 20 10 EICDMN CCc1ncc(CNCc2cc(C)n(-c3cccc(C)c3)c2C)cn1 ZINC000858293037 1054456418 /nfs/dbraw/zinc/45/64/18/1054456418.db2.gz IHQKAJJJZAUPEP-UHFFFAOYSA-N 0 1 334.467 4.045 20 10 EICDMN CCCOc1ccc(CNCc2cccnc2OCCC)cc1C ZINC001199769184 1054466050 /nfs/dbraw/zinc/46/60/50/1054466050.db2.gz KCTIOTTZRIKIFA-UHFFFAOYSA-N 0 1 328.456 4.257 20 10 EICDMN C[C@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1ccc2ccccc2c1[O-] ZINC000858452327 1054492695 /nfs/dbraw/zinc/49/26/95/1054492695.db2.gz KFYGFJYDVZINPF-NSHDSACASA-N 0 1 349.356 4.149 20 10 EICDMN C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1ccc2ccccc2c1[O-] ZINC000858453436 1054493142 /nfs/dbraw/zinc/49/31/42/1054493142.db2.gz LEOGWCFZLCRPPU-BEFAXECRSA-N 0 1 333.431 4.338 20 10 EICDMN CC[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000858448816 1054493459 /nfs/dbraw/zinc/49/34/59/1054493459.db2.gz GOQDMNXQDXLATN-OCCSQVGLSA-N 0 1 347.768 4.086 20 10 EICDMN CC[C@H](Nc1cnn(CCF)c1)c1ccc(Cl)c(Cl)c1O ZINC000858491856 1054499052 /nfs/dbraw/zinc/49/90/52/1054499052.db2.gz PNAHZMOLTGTHNZ-LBPRGKRZSA-N 0 1 332.206 4.428 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000776110466 1054550261 /nfs/dbraw/zinc/55/02/61/1054550261.db2.gz RJIBKLFEUJQZIA-UHFFFAOYSA-N 0 1 344.611 4.237 20 10 EICDMN CC[C@@H](NCc1cc(C)n(-c2cccc(C)c2)c1C)c1nccn1C ZINC000858542219 1054513269 /nfs/dbraw/zinc/51/32/69/1054513269.db2.gz JKOZCOVFEQHVFS-HXUWFJFHSA-N 0 1 336.483 4.377 20 10 EICDMN Cc1cc(NCc2ccc(F)c(F)c2O)ccc1OC1CCOCC1 ZINC000876861866 1054974732 /nfs/dbraw/zinc/97/47/32/1054974732.db2.gz GHTYBEKQOJVBKL-UHFFFAOYSA-N 0 1 349.377 4.149 20 10 EICDMN Cn1ccc(CNCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n1 ZINC000765791571 1055307809 /nfs/dbraw/zinc/30/78/09/1055307809.db2.gz QDKHUBJZUGWHKI-UHFFFAOYSA-N 0 1 329.488 4.011 20 10 EICDMN CC(C)n1cc2c(n1)[C@H](N[C@H](C)c1ccc(N(C)C)cc1)CCC2 ZINC000765822356 1055741008 /nfs/dbraw/zinc/74/10/08/1055741008.db2.gz ZXMKIUFWMCVJRP-DNVCBOLYSA-N 0 1 326.488 4.258 20 10 EICDMN CC(C)n1cc2c(n1)[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)CCC2 ZINC000765822357 1055743248 /nfs/dbraw/zinc/74/32/48/1055743248.db2.gz ZXMKIUFWMCVJRP-HNAYVOBHSA-N 0 1 326.488 4.258 20 10 EICDMN Cc1csc(C2(NCc3ccc4c(c3)CCCO4)CCCC2)n1 ZINC000921738413 1056294553 /nfs/dbraw/zinc/29/45/53/1056294553.db2.gz TXOHCXJEWRRTRT-UHFFFAOYSA-N 0 1 328.481 4.336 20 10 EICDMN Cc1ccc(N2CCC[C@@H]([NH2+]Cc3c([O-])cccc3Cl)C2)cc1 ZINC000742380183 1058605222 /nfs/dbraw/zinc/60/52/22/1058605222.db2.gz LVJBEDRDUUTOKZ-OAHLLOKOSA-N 0 1 330.859 4.113 20 10 EICDMN Cc1cc(CNCc2nc3ccccc3n2C)c(C)n1-c1ccccc1 ZINC000743768022 1059114459 /nfs/dbraw/zinc/11/44/59/1059114459.db2.gz XHZMEOOUNLGIBR-UHFFFAOYSA-N 0 1 344.462 4.271 20 10 EICDMN CC[C@@H](C[NH2+]Cc1ccc(Br)cc1[O-])CC(F)(F)F ZINC000691429567 1060951544 /nfs/dbraw/zinc/95/15/44/1060951544.db2.gz QOFITAHVYIPDKV-SECBINFHSA-N 0 1 340.183 4.223 20 10 EICDMN Cc1ccc(O)c([C@@H](C)NCc2cc(F)ccc2Br)c1 ZINC000038039088 202092932 /nfs/dbraw/zinc/09/29/32/202092932.db2.gz FNUBNLJXRICHNG-LLVKDONJSA-N 0 1 338.220 4.453 20 10 EICDMN CCOCc1cc(CNC2(c3ccc(F)cc3)CC2)ccc1OC ZINC000729685642 1032366075 /nfs/dbraw/zinc/36/60/75/1032366075.db2.gz HQMPTSTUBLPOAV-UHFFFAOYSA-N 0 1 329.415 4.150 20 10 EICDMN CC[C@@H]([NH2+]CC1CC(F)(F)C1)c1cc(Br)ccc1[O-] ZINC000383167549 1018852405 /nfs/dbraw/zinc/85/24/05/1018852405.db2.gz ROMDUYXQBMEOLX-GFCCVEGCSA-N 0 1 334.204 4.241 20 10 EICDMN C[C@@H](NCc1nc2cccc(Cl)c2n1C)c1ccc(N(C)C)cc1 ZINC000274777237 1019446010 /nfs/dbraw/zinc/44/60/10/1019446010.db2.gz OGGAPRHLUHRTQN-CYBMUJFWSA-N 0 1 342.874 4.144 20 10 EICDMN [O-]c1cccc(Br)c1C[NH+]1CCC2(CC[C@H](F)C2)CC1 ZINC001140102969 1020655928 /nfs/dbraw/zinc/65/59/28/1020655928.db2.gz BJPCSZFXQQKJAI-LBPRGKRZSA-N 0 1 342.252 4.259 20 10 EICDMN C[C@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)c1cc(Cl)ccc1[O-] ZINC000363858576 1022863370 /nfs/dbraw/zinc/86/33/70/1022863370.db2.gz DYCZRSUHWHCGAI-ZDUSSCGKSA-N 0 1 341.842 4.297 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000377761421 1023744429 /nfs/dbraw/zinc/74/44/29/1023744429.db2.gz LNYSXPQGQXGHBH-LJQANCHMSA-N 0 1 343.854 4.229 20 10 EICDMN C[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1Cl)c1cc(Cl)ccc1[O-] ZINC000756738138 1024259312 /nfs/dbraw/zinc/25/93/12/1024259312.db2.gz JOAFUYONVJEONN-RFAUZJTJSA-N 0 1 344.213 4.222 20 10 EICDMN Cc1cc(O)c(CN(C)Cc2ccc([S@](C)=O)cc2)cc1C(C)C ZINC000176118559 1024425684 /nfs/dbraw/zinc/42/56/84/1024425684.db2.gz ODXMLCFOYLLHOS-DEOSSOPVSA-N 0 1 345.508 4.193 20 10 EICDMN COCCc1nc2cc(N[C@@H](C)c3ccc(F)c(F)c3O)ccc2o1 ZINC000276983202 1024893822 /nfs/dbraw/zinc/89/38/22/1024893822.db2.gz WJTVKZCVRHQCRN-JTQLQIEISA-N 0 1 348.349 4.174 20 10 EICDMN CC[C@@H](C)c1nc([C@@H](C)NCc2ccc(N3CCCCC3)cc2)n[nH]1 ZINC000277170811 1025213166 /nfs/dbraw/zinc/21/31/66/1025213166.db2.gz HUEYUOLMJMBICV-HZPDHXFCSA-N 0 1 341.503 4.159 20 10 EICDMN CC[C@@H](N[C@@H](C)c1nnc([C@@H](C)CC)[nH]1)c1ccc(N(C)C)cc1 ZINC000277358375 1025801664 /nfs/dbraw/zinc/80/16/64/1025801664.db2.gz WFKGMQPGKQODRC-GRDNDAEWSA-N 0 1 329.492 4.186 20 10 EICDMN COc1ccc(O)c([C@@H](C)N[C@H](C)c2nc(C(F)(F)F)cs2)c1 ZINC000279450534 1026436236 /nfs/dbraw/zinc/43/62/36/1026436236.db2.gz IGKGIPYWMPKYGB-RKDXNWHRSA-N 0 1 346.374 4.288 20 10 EICDMN COc1ccc(N2CCC[N@@H+](Cc3ccc(F)cc3Cl)CC2)cc1 ZINC000108094617 1026794879 /nfs/dbraw/zinc/79/48/79/1026794879.db2.gz VZYDLPXSLLWBHL-UHFFFAOYSA-N 0 1 348.849 4.200 20 10 EICDMN COc1ccc(N2CCCN(Cc3ccc(F)cc3Cl)CC2)cc1 ZINC000108094617 1026794892 /nfs/dbraw/zinc/79/48/92/1026794892.db2.gz VZYDLPXSLLWBHL-UHFFFAOYSA-N 0 1 348.849 4.200 20 10 EICDMN Cc1cc(C)c(NC(=O)CN(C)Cc2cc(C)c(C)cc2O)c(C)c1 ZINC000119936199 1027415576 /nfs/dbraw/zinc/41/55/76/1027415576.db2.gz HKHZAZZZWIINJQ-UHFFFAOYSA-N 0 1 340.467 4.005 20 10 EICDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000894993555 1027686675 /nfs/dbraw/zinc/68/66/75/1027686675.db2.gz JYLJLTUUYMLEPS-IBGZPJMESA-N 0 1 345.389 4.024 20 10 EICDMN CC[C@@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000367560973 1030069754 /nfs/dbraw/zinc/06/97/54/1030069754.db2.gz COSUEGUALQCTEX-SMDDNHRTSA-N 0 1 340.254 4.020 20 10 EICDMN C[C@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000185134146 1030116371 /nfs/dbraw/zinc/11/63/71/1030116371.db2.gz AAAJWXBIMZIVJV-LBPRGKRZSA-N 0 1 345.805 4.221 20 10 EICDMN Cc1c2ccccc2n(C)c1CNCc1cnc(-c2ccccc2)nc1 ZINC000526988395 1030380885 /nfs/dbraw/zinc/38/08/85/1030380885.db2.gz XAERIDDLQLIZBN-UHFFFAOYSA-N 0 1 342.446 4.234 20 10 EICDMN COc1cccc([C@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])OC)c1 ZINC000527933236 1030975181 /nfs/dbraw/zinc/97/51/81/1030975181.db2.gz ZTCFIJVKGGIFKA-SGTLLEGYSA-N 0 1 335.831 4.093 20 10 EICDMN COc1cccc([C@@H](C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])OC)c1 ZINC000527933234 1030975505 /nfs/dbraw/zinc/97/55/05/1030975505.db2.gz ZTCFIJVKGGIFKA-KZULUSFZSA-N 0 1 335.831 4.093 20 10 EICDMN COc1ccc([C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2[O-])C2CC2)cn1 ZINC000528042265 1031059169 /nfs/dbraw/zinc/05/91/69/1031059169.db2.gz CPUHMWGAWVTTCE-ZMZPIMSZSA-N 0 1 332.831 4.251 20 10 EICDMN Cc1cc(CN[C@@H](C)c2ccc(Br)cn2)ccc1N(C)C ZINC000280208062 1035199198 /nfs/dbraw/zinc/19/91/98/1035199198.db2.gz TYQGGQSANIQBQY-ZDUSSCGKSA-N 0 1 348.288 4.069 20 10 EICDMN CC[C@H](NCc1nccn1CCc1ccccc1)c1ccc(C)cc1O ZINC000280256320 1035212518 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345.748 4.233 20 10 EICDMN Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3C[C@H](C)CCN3)n2)cc1 ZINC001211880580 1044663574 /nfs/dbraw/zinc/66/35/74/1044663574.db2.gz INLIEWCDYSLUDY-ACJLOTCBSA-N 0 1 336.439 4.205 20 10 EICDMN CC[C@@H](C[NH2+]Cc1c([O-])cccc1Br)CC(F)(F)F ZINC000706854176 1044783249 /nfs/dbraw/zinc/78/32/49/1044783249.db2.gz SKHQDMSHRYISCJ-SECBINFHSA-N 0 1 340.183 4.223 20 10 EICDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H]1CCCCC1(F)F ZINC000706841576 1044790712 /nfs/dbraw/zinc/79/07/12/1044790712.db2.gz AAHOSAUXPRCYEJ-SNVBAGLBSA-N 0 1 334.204 4.070 20 10 EICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000895583106 1044815980 /nfs/dbraw/zinc/81/59/80/1044815980.db2.gz KGRFNDGNPLJICQ-SECBINFHSA-N 0 1 329.252 4.145 20 10 EICDMN C[N@@H+](CCc1cccs1)Cc1cc(Br)cc(F)c1[O-] ZINC001235069155 1045220126 /nfs/dbraw/zinc/22/01/26/1045220126.db2.gz PRLOUPMTWWRAPP-UHFFFAOYSA-N 0 1 344.249 4.030 20 10 EICDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+](Cc2cccs2)C2CC2)c1[O-] ZINC000768252722 1045762992 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[O-]c1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000769245416 1045899959 /nfs/dbraw/zinc/89/99/59/1045899959.db2.gz RJICKKCUSYESAJ-IEBWSBKVSA-N 0 1 331.843 4.134 20 10 EICDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000769245416 1045899957 /nfs/dbraw/zinc/89/99/57/1045899957.db2.gz RJICKKCUSYESAJ-IEBWSBKVSA-N 0 1 331.843 4.134 20 10 EICDMN CCOc1ccc(O)c(CN2C[C@@H](c3ccccc3C)OC[C@H]2C)c1 ZINC000769474907 1045991454 /nfs/dbraw/zinc/99/14/54/1045991454.db2.gz SZAPBCADSGPMPO-IERDGZPVSA-N 0 1 341.451 4.061 20 10 EICDMN CC(C)(C)OC(=O)C1CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000769710817 1046050328 /nfs/dbraw/zinc/05/03/28/1046050328.db2.gz PKUWADKBVKXNNX-UHFFFAOYSA-N 0 1 339.863 4.036 20 10 EICDMN CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001170420409 1046070251 /nfs/dbraw/zinc/07/02/51/1046070251.db2.gz KHKSQIVVYNYDKT-IBGZPJMESA-N 0 1 349.430 4.385 20 10 EICDMN Oc1c(Cl)cccc1CN1Cc2cccc(Br)c2C1 ZINC000770664907 1046246350 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CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1[O-] ZINC001170535127 1047518792 /nfs/dbraw/zinc/51/87/92/1047518792.db2.gz FXPVNAGKQCKZBX-CYBMUJFWSA-N 0 1 347.817 4.377 20 10 EICDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)c1[O-] ZINC001170535127 1047518830 /nfs/dbraw/zinc/51/88/30/1047518830.db2.gz FXPVNAGKQCKZBX-CYBMUJFWSA-N 0 1 347.817 4.377 20 10 EICDMN CCc1ccc([C@@H]2C[N@@H+](Cc3c([O-])ccc4ccncc43)CCO2)cc1 ZINC000790458660 1047592304 /nfs/dbraw/zinc/59/23/04/1047592304.db2.gz CWYJFGSTAJMVOL-QFIPXVFZSA-N 0 1 348.446 4.076 20 10 EICDMN CCc1ccc([C@@H]2C[N@H+](Cc3c([O-])ccc4ccncc43)CCO2)cc1 ZINC000790458660 1047592282 /nfs/dbraw/zinc/59/22/82/1047592282.db2.gz CWYJFGSTAJMVOL-QFIPXVFZSA-N 0 1 348.446 4.076 20 10 EICDMN Oc1c(Cl)cc(Cl)cc1CNc1cc(Br)ccn1 ZINC000808088896 1047604233 /nfs/dbraw/zinc/60/42/33/1047604233.db2.gz FRHUSYLIMYYPEO-UHFFFAOYSA-N 0 1 348.027 4.469 20 10 EICDMN CC1(C)C[N@H+](Cc2c([O-])ccc3ccncc32)Cc2ccccc2O1 ZINC000808236907 1047853556 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20 10 EICDMN CC[C@@H]([NH2+]C[C@H](CCO)CC(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810221070 1048690998 /nfs/dbraw/zinc/69/09/98/1048690998.db2.gz KLMPPZORGMAKCN-CZUORRHYSA-N 0 1 347.421 4.496 20 10 EICDMN CC[C@H]([NH2+]CC1(CCO)CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228179 1048696447 /nfs/dbraw/zinc/69/64/47/1048696447.db2.gz QZCDYVNWERACOA-AWEZNQCLSA-N 0 1 331.378 4.004 20 10 EICDMN CC[C@@H]([NH2+][C@H](C)Cc1cc(C)n[nH]1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227773 1048696612 /nfs/dbraw/zinc/69/66/12/1048696612.db2.gz JBFVQMRVQIDGMG-MEBBXXQBSA-N 0 1 341.377 4.114 20 10 EICDMN CC[C@H]([NH2+]C[C@@H](OC)C(F)(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000810232334 1048699491 /nfs/dbraw/zinc/69/94/91/1048699491.db2.gz YHHFNUMJUPUVMQ-CMPLNLGQSA-N 0 1 345.283 4.029 20 10 EICDMN CC[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])[C@H](C)c1cccc(OC)c1 ZINC000748051427 1048725473 /nfs/dbraw/zinc/72/54/73/1048725473.db2.gz WAHCGASLHDVGPD-CYBMUJFWSA-N 0 1 345.414 4.326 20 10 EICDMN CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])[C@H](C)c1cccc(OC)c1 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0 1 343.430 4.080 20 10 EICDMN [O-]c1c(C[NH2+][C@@H]2CCCN(c3ccccc3)C2)ccc2ccccc21 ZINC000816551491 1048828629 /nfs/dbraw/zinc/82/86/29/1048828629.db2.gz CWWFLANBLAYKFD-LJQANCHMSA-N 0 1 332.447 4.304 20 10 EICDMN COc1ccccc1OCCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816546946 1048828811 /nfs/dbraw/zinc/82/88/11/1048828811.db2.gz CUEPWUUOANMSLL-UHFFFAOYSA-N 0 1 337.419 4.113 20 10 EICDMN [O-]c1c(C[NH2+]C[C@@H](O)c2ccccc2Cl)ccc2ccccc12 ZINC000816552747 1048833659 /nfs/dbraw/zinc/83/36/59/1048833659.db2.gz VATLUTRRHGGMTG-GOSISDBHSA-N 0 1 327.811 4.022 20 10 EICDMN COc1ccc2c(c1)OCC[C@@H]2[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816553746 1048834152 /nfs/dbraw/zinc/83/41/52/1048834152.db2.gz FXCAJRKFWZTCDY-IBGZPJMESA-N 0 1 335.403 4.167 20 10 EICDMN [O-]c1c(C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)ccc2ccccc12 ZINC000816559920 1048835302 /nfs/dbraw/zinc/83/53/02/1048835302.db2.gz YXXXWMNNBOJJAI-GOSISDBHSA-N 0 1 345.801 4.161 20 10 EICDMN C[C@@](O)(C[NH2+]Cc1ccc2ccccc2c1[O-])c1ccccc1Cl ZINC000816570537 1048837431 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[O-]c1cc(Cl)ccc1C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC001204205318 1050310327 /nfs/dbraw/zinc/31/03/27/1050310327.db2.gz RGEILJXNEHVOGX-MRXNPFEDSA-N 0 1 331.843 4.084 20 10 EICDMN C[C@H](NC/C=C/c1ccc(N(C)C)cc1)c1nc2ccccc2n1C ZINC001177904503 1050323637 /nfs/dbraw/zinc/32/36/37/1050323637.db2.gz JOGVLJHPCGHNJA-WAVCKPEOSA-N 0 1 334.467 4.003 20 10 EICDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2cc3ccccc3o2)c1[O-] ZINC000182636126 1050781026 /nfs/dbraw/zinc/78/10/26/1050781026.db2.gz AGUIIFQVZKPVGG-LLVKDONJSA-N 0 1 327.355 4.331 20 10 EICDMN CC[C@H](NCc1ccc(N(C)C2CCCCC2)cc1)c1nccn1C ZINC000182676524 1050789971 /nfs/dbraw/zinc/78/99/71/1050789971.db2.gz NNLANPKPGIYLRN-FQEVSTJZSA-N 0 1 340.515 4.430 20 10 EICDMN O=C(C[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1[O-])c1ccc(F)cc1 ZINC001179925460 1050818602 /nfs/dbraw/zinc/81/86/02/1050818602.db2.gz PZFSZXUGJFJKQP-MRXNPFEDSA-N 0 1 347.817 4.422 20 10 EICDMN C[N@@H+](Cc1cccc(OC(F)(F)F)c1)Cc1cc(F)cc(F)c1[O-] ZINC001180112479 1050888788 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CAOBCDINAHQDNR-KRWDZBQOSA-N 0 1 332.831 4.245 20 10 EICDMN CC[C@H]([NH2+]Cc1ccccc1-n1ccnc1)c1cc(Cl)ccc1[O-] ZINC000775487871 1051560479 /nfs/dbraw/zinc/56/04/79/1051560479.db2.gz FMSFJSIUZWIYCI-KRWDZBQOSA-N 0 1 341.842 4.472 20 10 EICDMN CC[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cc(Cl)ccc1[O-] ZINC000775487595 1051565109 /nfs/dbraw/zinc/56/51/09/1051565109.db2.gz LHYZQFCZSMHQJU-KRWDZBQOSA-N 0 1 345.874 4.150 20 10 EICDMN CC[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cc(Cl)ccc1[O-] ZINC000775508977 1051648900 /nfs/dbraw/zinc/64/89/00/1051648900.db2.gz HIFPDMIXSARIEU-CZUORRHYSA-N 0 1 325.861 4.056 20 10 EICDMN CC[C@@H]([NH2+]CCc1ccc(Cl)nc1)c1cc(Cl)ccc1[O-] ZINC000775514432 1051667137 /nfs/dbraw/zinc/66/71/37/1051667137.db2.gz VOXQDVNMYJFTTC-CQSZACIVSA-N 0 1 325.239 4.377 20 10 EICDMN CC[C@@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000775523203 1051692459 /nfs/dbraw/zinc/69/24/59/1051692459.db2.gz FCKXQNIDYHOQMB-QZTJIDSGSA-N 0 1 330.859 4.273 20 10 EICDMN CC[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)c1cc(Cl)ccc1[O-] ZINC000775523958 1051699510 /nfs/dbraw/zinc/69/95/10/1051699510.db2.gz BRFOQEIKXRRRCA-XRGAULLZSA-N 0 1 343.945 4.466 20 10 EICDMN CC[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1cc(Cl)ccc1[O-] ZINC000775525229 1051707629 /nfs/dbraw/zinc/70/76/29/1051707629.db2.gz FFNINYHTAIAKKS-GDBMZVCRSA-N 0 1 341.785 4.098 20 10 EICDMN CC[C@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1cc(Cl)ccc1[O-] ZINC000775532195 1051748036 /nfs/dbraw/zinc/74/80/36/1051748036.db2.gz SYUZQSXDDPKGND-BBRMVZONSA-N 0 1 325.880 4.275 20 10 EICDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC001182960777 1051748323 /nfs/dbraw/zinc/74/83/23/1051748323.db2.gz UVQUMVCJUUTFCN-GFCCVEGCSA-N 0 1 342.252 4.306 20 10 EICDMN CC[C@H]([NH2+][C@@H](CCOC)Cc1ccco1)c1cc(Cl)ccc1[O-] ZINC000775552302 1051822346 /nfs/dbraw/zinc/82/23/46/1051822346.db2.gz UERRTHBZGADWPI-YOEHRIQHSA-N 0 1 337.847 4.327 20 10 EICDMN CC[C@@H]([NH2+][C@H](CCOC)Cc1ccco1)c1cc(Cl)ccc1[O-] ZINC000775552299 1051823534 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O=C(Nc1ncc(-c2ccccc2)s1)c1cc(O)c(O)c(Cl)c1 ZINC001193589646 1051949884 /nfs/dbraw/zinc/94/98/84/1051949884.db2.gz NPFQUXSKCWHMSN-UHFFFAOYSA-N 0 1 346.795 4.127 20 10 EICDMN Cc1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)cc(C(F)(F)F)c1 ZINC001193624696 1051956166 /nfs/dbraw/zinc/95/61/66/1051956166.db2.gz JPJQPYGHOMNSJJ-UHFFFAOYSA-N 0 1 345.704 4.331 20 10 EICDMN CC(C)(C)[C@H]1CC[C@@H](NC(=O)c2cc(O)c(O)c(Cl)c2)CC1 ZINC001193634738 1051960701 /nfs/dbraw/zinc/96/07/01/1051960701.db2.gz IHJIUFCCTVKUQM-TXEJJXNPSA-N 0 1 325.836 4.086 20 10 EICDMN CCCCN(Cc1ccccc1)C(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193604321 1051964697 /nfs/dbraw/zinc/96/46/97/1051964697.db2.gz ULUGLHZGXRDDBQ-UHFFFAOYSA-N 0 1 333.815 4.194 20 10 EICDMN [O-]c1cc(Cl)ccc1C[NH2+]Cc1ccc(Br)cc1F ZINC001184208296 1051966353 /nfs/dbraw/zinc/96/63/53/1051966353.db2.gz ZSZRZAJEMVHZMA-UHFFFAOYSA-N 0 1 344.611 4.237 20 10 EICDMN Cc1cc(N(C)C)ccc1CNCc1cccc(OC2CC2)c1F ZINC000850137460 1053078139 /nfs/dbraw/zinc/07/81/39/1053078139.db2.gz PKGGDVRBINFWPI-UHFFFAOYSA-N 0 1 328.431 4.031 20 10 EICDMN Cc1cc(O)c(CN[C@H](CO)c2cccc(Cl)c2Cl)cc1C ZINC000850402482 1053167270 /nfs/dbraw/zinc/16/72/70/1053167270.db2.gz MDTOALVWQDBYLB-OAHLLOKOSA-N 0 1 340.250 4.139 20 10 EICDMN Oc1c(CNc2ccc(O[C@@H]3CC3(F)F)cc2)ccc(F)c1F ZINC000864041931 1053185046 /nfs/dbraw/zinc/18/50/46/1053185046.db2.gz WMBHQGFZZVWNFZ-CYBMUJFWSA-N 0 1 327.277 4.069 20 10 EICDMN Cc1cc(Br)cc(CN2CCC[C@H]2c2ccc[nH]2)c1O ZINC000775630419 1053216586 /nfs/dbraw/zinc/21/65/86/1053216586.db2.gz LCHLZRVSWWBFEH-HNNXBMFYSA-N 0 1 335.245 4.128 20 10 EICDMN C[C@@]1(O)CCC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000794665104 1053238881 /nfs/dbraw/zinc/23/88/81/1053238881.db2.gz FMEHSTFNCVPJEI-HXUWFJFHSA-N 0 1 325.408 4.029 20 10 EICDMN C[C@@]1(O)CCC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000794665104 1053238903 /nfs/dbraw/zinc/23/89/03/1053238903.db2.gz FMEHSTFNCVPJEI-HXUWFJFHSA-N 0 1 325.408 4.029 20 10 EICDMN C[C@@]1(O)CCC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000794665104 1053238922 /nfs/dbraw/zinc/23/89/22/1053238922.db2.gz FMEHSTFNCVPJEI-HXUWFJFHSA-N 0 1 325.408 4.029 20 10 EICDMN C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1)c1ccc2ccccc2c1[O-] ZINC000850540548 1053301661 /nfs/dbraw/zinc/30/16/61/1053301661.db2.gz MOCQQKNIKABDHC-KLHJMIIUSA-N 0 1 349.478 4.341 20 10 EICDMN CC[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000850570196 1053325766 /nfs/dbraw/zinc/32/57/66/1053325766.db2.gz FSKZVWSTZHXMFH-GXTWGEPZSA-N 0 1 331.378 4.267 20 10 EICDMN Cc1cc(Br)cc(CN2CCC[C@H]2c2cccn2C)c1O ZINC000775644781 1053332665 /nfs/dbraw/zinc/33/26/65/1053332665.db2.gz UYWWWVDIBNWVJJ-INIZCTEOSA-N 0 1 349.272 4.139 20 10 EICDMN COc1ccc(O)c(CN(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)c1 ZINC000775650366 1053367781 /nfs/dbraw/zinc/36/77/81/1053367781.db2.gz YYIGCAPLNDPTMU-ACJLOTCBSA-N 0 1 327.424 4.282 20 10 EICDMN Oc1c(Br)cccc1CNc1ccnc2cc(F)ccc21 ZINC000764935607 1053385141 /nfs/dbraw/zinc/38/51/41/1053385141.db2.gz ZROIKEXICLYDPB-UHFFFAOYSA-N 0 1 347.187 4.454 20 10 EICDMN Cc1ccc2[nH]c3c(c2c1)CN(Cc1cccc(Cl)c1O)CC3 ZINC000775655349 1053391447 /nfs/dbraw/zinc/39/14/47/1053391447.db2.gz YCEHTADNLNIKRD-UHFFFAOYSA-N 0 1 326.827 4.394 20 10 EICDMN Cc1ccc2[nH]c3c(c2c1)C[N@H+](Cc1cccc(Cl)c1[O-])CC3 ZINC000775655349 1053391466 /nfs/dbraw/zinc/39/14/66/1053391466.db2.gz YCEHTADNLNIKRD-UHFFFAOYSA-N 0 1 326.827 4.394 20 10 EICDMN Cc1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1cccc(Cl)c1[O-])CC3 ZINC000775655349 1053391478 /nfs/dbraw/zinc/39/14/78/1053391478.db2.gz YCEHTADNLNIKRD-UHFFFAOYSA-N 0 1 326.827 4.394 20 10 EICDMN CC[C@@H]([NH2+]CCc1cccc(C)n1)c1cc(Br)ccc1[O-] ZINC000794827916 1053439873 /nfs/dbraw/zinc/43/98/73/1053439873.db2.gz MBVXEEDVMOHJOV-MRXNPFEDSA-N 0 1 349.272 4.142 20 10 EICDMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000775665169 1053443577 /nfs/dbraw/zinc/44/35/77/1053443577.db2.gz ZQMMMJVXZFRXDK-CVEARBPZSA-N 0 1 336.907 4.132 20 10 EICDMN CC1(C)C[C@H](NCc2ccc3c(c2)CCO3)c2ccc(F)cc2O1 ZINC000765281701 1053491072 /nfs/dbraw/zinc/49/10/72/1053491072.db2.gz RGNGLRSVEYJMAI-KRWDZBQOSA-N 0 1 327.399 4.153 20 10 EICDMN CCCOc1ncccc1CN[C@@H](CC)c1ccc(N(C)C)cc1 ZINC000765330877 1053504761 /nfs/dbraw/zinc/50/47/61/1053504761.db2.gz KTQGMEHMTCXTQG-IBGZPJMESA-N 0 1 327.472 4.177 20 10 EICDMN CCC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000775715619 1053672425 /nfs/dbraw/zinc/67/24/25/1053672425.db2.gz HYNOPDPPZLXMFZ-XYPHTWIQSA-N 0 1 341.854 4.210 20 10 EICDMN C[C@@H]1CN(Cc2c(O)ccc3ccccc32)C[C@H](CC(F)(F)F)O1 ZINC000853614425 1053689035 /nfs/dbraw/zinc/68/90/35/1053689035.db2.gz LLAJGAAIPRCODQ-OCCSQVGLSA-N 0 1 339.357 4.087 20 10 EICDMN C[C@@H]1CN(Cc2c(O)ccc3ccccc32)C[C@@H](CC(F)(F)F)O1 ZINC000853614428 1053689275 /nfs/dbraw/zinc/68/92/75/1053689275.db2.gz LLAJGAAIPRCODQ-TZMCWYRMSA-N 0 1 339.357 4.087 20 10 EICDMN CC[C@@H]([NH2+]CCOC1CCCC1)c1cc(Br)ccc1[O-] ZINC000111634287 1053716860 /nfs/dbraw/zinc/71/68/60/1053716860.db2.gz OQNWPHCJCSHEDT-OAHLLOKOSA-N 0 1 342.277 4.155 20 10 EICDMN Cc1ccc([C@H](C)NCc2ncc(Br)s2)c(O)c1C ZINC000866619573 1053809047 /nfs/dbraw/zinc/80/90/47/1053809047.db2.gz FEAAVGXMDSHVEM-JTQLQIEISA-N 0 1 341.274 4.079 20 10 EICDMN CN(C)c1ccc(CN[C@@H]2CCCOc3ccc(F)cc32)cc1F ZINC000113326741 1053924444 /nfs/dbraw/zinc/92/44/44/1053924444.db2.gz XFOFSPZLODOCMK-QGZVFWFLSA-N 0 1 332.394 4.034 20 10 EICDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccc3ncsc3c2)c1[O-] ZINC000776819251 1053947750 /nfs/dbraw/zinc/94/77/50/1053947750.db2.gz VODOBKLFFLEIGZ-JTQLQIEISA-N 0 1 344.411 4.194 20 10 EICDMN COc1cc2c(cc1F)nccc2NCCCSc1nccs1 ZINC000795096590 1054037728 /nfs/dbraw/zinc/03/77/28/1054037728.db2.gz ZVBMVFMMZGGPMN-UHFFFAOYSA-N 0 1 349.456 4.433 20 10 EICDMN C[C@H](NCc1ccc(Oc2ccccc2)nn1)c1ccc(N(C)C)cc1 ZINC000775835693 1054117848 /nfs/dbraw/zinc/11/78/48/1054117848.db2.gz HWTICSVBGDAACO-INIZCTEOSA-N 0 1 348.450 4.186 20 10 EICDMN CC(C)c1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)nc1 ZINC000857507150 1054287735 /nfs/dbraw/zinc/28/77/35/1054287735.db2.gz BPPPHQYBCINHTL-UHFFFAOYSA-N 0 1 339.222 4.147 20 10 EICDMN Cc1nccnc1[C@H](C)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000872132135 1054407598 /nfs/dbraw/zinc/40/75/98/1054407598.db2.gz BZZAUGPGUIMIOO-HOCLYGCPSA-N 0 1 342.462 4.326 20 10 EICDMN CC(C)([NH2+]Cc1c([O-])cccc1Br)c1ccccc1F ZINC000858167951 1054429368 /nfs/dbraw/zinc/42/93/68/1054429368.db2.gz BIESKCGAKXTCBQ-UHFFFAOYSA-N 0 1 338.220 4.319 20 10 EICDMN CC(C)(NCc1c(O)cccc1Br)c1ccccc1F ZINC000858167951 1054429375 /nfs/dbraw/zinc/42/93/75/1054429375.db2.gz BIESKCGAKXTCBQ-UHFFFAOYSA-N 0 1 338.220 4.319 20 10 EICDMN CC(C)(C)c1ccncc1C[NH2+]Cc1c([O-])cccc1Br ZINC000858177558 1054431951 /nfs/dbraw/zinc/43/19/51/1054431951.db2.gz QHMADLJKIXMKPW-UHFFFAOYSA-N 0 1 349.272 4.137 20 10 EICDMN Cc1ncc(CN(Cc2ccccc2O)[C@H](C)c2ccccc2)cn1 ZINC000776006760 1054441908 /nfs/dbraw/zinc/44/19/08/1054441908.db2.gz CQUFBMMRXLLLMF-MRXNPFEDSA-N 0 1 333.435 4.254 20 10 EICDMN Cc1ncc(CN(Cc2ccccc2O)[C@@H](C)c2ccccc2)cn1 ZINC000776006289 1054443018 /nfs/dbraw/zinc/44/30/18/1054443018.db2.gz CQUFBMMRXLLLMF-INIZCTEOSA-N 0 1 333.435 4.254 20 10 EICDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000776013843 1054443802 /nfs/dbraw/zinc/44/38/02/1054443802.db2.gz JEIYHHNXNUPCRC-IBGZPJMESA-N 0 1 329.827 4.067 20 10 EICDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000776013843 1054443809 /nfs/dbraw/zinc/44/38/09/1054443809.db2.gz JEIYHHNXNUPCRC-IBGZPJMESA-N 0 1 329.827 4.067 20 10 EICDMN Cc1ccc(O)c(CNCc2c(F)cccc2OC(F)(F)F)c1 ZINC000858238944 1054444982 /nfs/dbraw/zinc/44/49/82/1054444982.db2.gz FNZJYOJEJKCNMK-UHFFFAOYSA-N 0 1 329.293 4.028 20 10 EICDMN COc1cc(Cl)cc(CN2Cc3ccccc3C3(CC3)C2)c1O ZINC000776015947 1054449105 /nfs/dbraw/zinc/44/91/05/1054449105.db2.gz XVVLBEJPCDWYOY-UHFFFAOYSA-N 0 1 329.827 4.102 20 10 EICDMN CN(Cc1ccc(N2CCCC2)o1)Cc1ccc(N2CCCC2)cc1 ZINC001137068015 1054490615 /nfs/dbraw/zinc/49/06/15/1054490615.db2.gz RQDGUOJGYLHBFB-UHFFFAOYSA-N 0 1 339.483 4.112 20 10 EICDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccc(C(F)(F)F)nc1 ZINC000873184911 1054504226 /nfs/dbraw/zinc/50/42/26/1054504226.db2.gz LNUILXBIYXYBMW-SECBINFHSA-N 0 1 330.737 4.310 20 10 EICDMN CC[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000858546520 1054512924 /nfs/dbraw/zinc/51/29/24/1054512924.db2.gz BGBLYHOCZUWLRK-IVMMDQJWSA-N 0 1 329.362 4.019 20 10 EICDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])c1ccns1 ZINC000858576201 1054522848 /nfs/dbraw/zinc/52/28/48/1054522848.db2.gz JEBYVVWMNPYOST-DTWKUNHWSA-N 0 1 327.247 4.023 20 10 EICDMN Cc1ccc(CN2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(O)c1 ZINC000876630904 1054943548 /nfs/dbraw/zinc/94/35/48/1054943548.db2.gz NJBSDOKHAFLKPR-TXEJJXNPSA-N 0 1 341.295 4.263 20 10 EICDMN COCc1ccc(CNCc2ccc(N(C)C3CCCCC3)cc2)o1 ZINC000126274502 1054991315 /nfs/dbraw/zinc/99/13/15/1054991315.db2.gz QLBADVLLDHREFY-UHFFFAOYSA-N 0 1 342.483 4.485 20 10 EICDMN CC(=O)N(c1ccc(NCc2ccc(F)c(F)c2O)cc1)[C@H]1C[C@H]1C ZINC000877553961 1055078524 /nfs/dbraw/zinc/07/85/24/1055078524.db2.gz DOQKSFKXRKOXCB-DIFFPNOSSA-N 0 1 346.377 4.044 20 10 EICDMN Cc1cc(O)c(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1Cl ZINC000826065309 1055384846 /nfs/dbraw/zinc/38/48/46/1055384846.db2.gz XJYAXGMTKFQDKZ-WBVHZDCISA-N 0 1 335.875 4.135 20 10 EICDMN Cc1cc([O-])c(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1Cl ZINC000826065309 1055384855 /nfs/dbraw/zinc/38/48/55/1055384855.db2.gz XJYAXGMTKFQDKZ-WBVHZDCISA-N 0 1 335.875 4.135 20 10 EICDMN Cc1cc([O-])c(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1Cl ZINC000826065309 1055384875 /nfs/dbraw/zinc/38/48/75/1055384875.db2.gz XJYAXGMTKFQDKZ-WBVHZDCISA-N 0 1 335.875 4.135 20 10 EICDMN CC[N@H+](Cc1ccc(F)cc1)Cc1cc(Br)ccc1[O-] ZINC000743871162 1059191048 /nfs/dbraw/zinc/19/10/48/1059191048.db2.gz UIAITRGXFUBNID-UHFFFAOYSA-N 0 1 338.220 4.316 20 10 EICDMN CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(Br)ccc1[O-] ZINC000743871162 1059191075 /nfs/dbraw/zinc/19/10/75/1059191075.db2.gz UIAITRGXFUBNID-UHFFFAOYSA-N 0 1 338.220 4.316 20 10 EICDMN C[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])C1CCC(F)(F)CC1 ZINC000690882852 1032236292 /nfs/dbraw/zinc/23/62/92/1032236292.db2.gz ZZPFFBCKPWKBJP-SNVBAGLBSA-N 0 1 348.231 4.458 20 10 EICDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)C[C@@H](C)c2ccccc2)c1[O-] ZINC001167313587 1021054925 /nfs/dbraw/zinc/05/49/25/1021054925.db2.gz HHLBBMWIOHEKIE-CYBMUJFWSA-N 0 1 331.843 4.484 20 10 EICDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000376167854 1021650121 /nfs/dbraw/zinc/65/01/21/1021650121.db2.gz TUYVDISAZZWWKG-ZDUSSCGKSA-N 0 1 344.361 4.191 20 10 EICDMN COc1ccc(O)c(CN[C@H](c2ccccc2)c2ccccc2OC)c1 ZINC000182203435 1022785275 /nfs/dbraw/zinc/78/52/75/1022785275.db2.gz JFRNJTXYZUKRAS-JOCHJYFZSA-N 0 1 349.430 4.289 20 10 EICDMN COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000326027671 1023018571 /nfs/dbraw/zinc/01/85/71/1023018571.db2.gz RWFDMQDRFKHCTP-ZDUSSCGKSA-N 0 1 349.858 4.126 20 10 EICDMN COc1ccccc1C[C@H](C)[N@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000326027671 1023018583 /nfs/dbraw/zinc/01/85/83/1023018583.db2.gz RWFDMQDRFKHCTP-ZDUSSCGKSA-N 0 1 349.858 4.126 20 10 EICDMN COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000326027671 1023018610 /nfs/dbraw/zinc/01/86/10/1023018610.db2.gz RWFDMQDRFKHCTP-ZDUSSCGKSA-N 0 1 349.858 4.126 20 10 EICDMN CC[C@@H]([NH2+]CC1(COC)CCC1)c1cc(Br)ccc1[O-] ZINC000312424823 1023182393 /nfs/dbraw/zinc/18/23/93/1023182393.db2.gz AHDXSVFZZXNLRZ-CQSZACIVSA-N 0 1 342.277 4.012 20 10 EICDMN CC[C@@H](NCc1nccn1CCc1ccccc1)c1ccccc1O ZINC000156273062 1023362954 /nfs/dbraw/zinc/36/29/54/1023362954.db2.gz IXFIHJCLOFYOBC-LJQANCHMSA-N 0 1 335.451 4.072 20 10 EICDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000707143484 1023491006 /nfs/dbraw/zinc/49/10/06/1023491006.db2.gz UDFMZISQOCFWIN-AWEZNQCLSA-N 0 1 332.241 4.144 20 10 EICDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000707143484 1023491012 /nfs/dbraw/zinc/49/10/12/1023491012.db2.gz UDFMZISQOCFWIN-AWEZNQCLSA-N 0 1 332.241 4.144 20 10 EICDMN [O-]c1ccc2oc3c(c2c1C[N@H+](C[C@@H]1CCOC1)C1CC1)CCCC3 ZINC000123811924 1023666277 /nfs/dbraw/zinc/66/62/77/1023666277.db2.gz RLTLESXNOFRSDG-AWEZNQCLSA-N 0 1 341.451 4.018 20 10 EICDMN [O-]c1ccc2oc3c(c2c1C[N@@H+](C[C@@H]1CCOC1)C1CC1)CCCC3 ZINC000123811924 1023666281 /nfs/dbraw/zinc/66/62/81/1023666281.db2.gz RLTLESXNOFRSDG-AWEZNQCLSA-N 0 1 341.451 4.018 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1ccc(Br)s1 ZINC000226646886 1026319067 /nfs/dbraw/zinc/31/90/67/1026319067.db2.gz RAVOUAILXXAQRA-UHFFFAOYSA-N 0 1 346.677 4.202 20 10 EICDMN O=[N+]([O-])c1ccc(NCc2cc(Cl)cc(Cl)c2O)c(F)c1 ZINC000043473828 1026348179 /nfs/dbraw/zinc/34/81/79/1026348179.db2.gz BOHRHVOECILJOY-UHFFFAOYSA-N 0 1 331.130 4.358 20 10 EICDMN CC[C@@H]([NH2+]Cc1ccc(C)nc1)c1cc(Br)ccc1[O-] ZINC000062050873 1026393338 /nfs/dbraw/zinc/39/33/38/1026393338.db2.gz XITYGGOFMKXLFC-OAHLLOKOSA-N 0 1 335.245 4.099 20 10 EICDMN C[C@H]([NH2+]Cc1ccccc1-n1ccnc1)c1cc(Cl)ccc1[O-] ZINC000185125172 1030129978 /nfs/dbraw/zinc/12/99/78/1030129978.db2.gz FGOGZYVDZFMFLW-ZDUSSCGKSA-N 0 1 327.815 4.082 20 10 EICDMN COc1cccc([C@H](C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])OC)c1 ZINC000527933238 1030973620 /nfs/dbraw/zinc/97/36/20/1030973620.db2.gz ZTCFIJVKGGIFKA-XIKOKIGWSA-N 0 1 335.831 4.093 20 10 EICDMN COc1cc(Cl)cc(CN(C)Cc2cc(F)c(F)c(F)c2)c1O ZINC000761214791 1036105417 /nfs/dbraw/zinc/10/54/17/1036105417.db2.gz FTHFWEXIZKAVSH-UHFFFAOYSA-N 0 1 345.748 4.104 20 10 EICDMN COCC[C@H](NCc1ccc(N2CCCCC2)cc1)c1ccco1 ZINC000272410225 1037182848 /nfs/dbraw/zinc/18/28/48/1037182848.db2.gz BXMVPNAZIDPQBY-IBGZPJMESA-N 0 1 328.456 4.137 20 10 EICDMN Clc1ccnc2c1CC[C@@H]2NCc1ccc(N2CCCC2)cc1 ZINC000924649616 1040953306 /nfs/dbraw/zinc/95/33/06/1040953306.db2.gz RQMWTAMABCGWDD-SFHVURJKSA-N 0 1 327.859 4.112 20 10 EICDMN CCN(C)c1ccc([C@@H](C)N[C@@H](c2cnn(C)c2)c2ccccc2)cc1 ZINC000366682553 1042015868 /nfs/dbraw/zinc/01/58/68/1042015868.db2.gz TUCVMQWMKBPLOW-VGOFRKELSA-N 0 1 348.494 4.316 20 10 EICDMN CCN(CC)c1ccc(CNCc2ccc(Cl)cc2OC)cc1 ZINC000730819404 1043632978 /nfs/dbraw/zinc/63/29/78/1043632978.db2.gz VWRRPJQDAWXKFF-UHFFFAOYSA-N 0 1 332.875 4.485 20 10 EICDMN CC(C)(C)c1nnc(CN(Cc2ccccc2O)C2CCCC2)o1 ZINC000732204554 1043887199 /nfs/dbraw/zinc/88/71/99/1043887199.db2.gz MUFOYMZRHVJKCN-UHFFFAOYSA-N 0 1 329.444 4.018 20 10 EICDMN CC1(c2ccccc2)CC([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000733326656 1044192090 /nfs/dbraw/zinc/19/20/90/1044192090.db2.gz RIINCAGYNYHUCA-UHFFFAOYSA-N 0 1 346.268 4.365 20 10 EICDMN CCc1cccc2c(CC[NH2+]Cc3c([O-])cccc3Cl)c[nH]c21 ZINC000733328698 1044192220 /nfs/dbraw/zinc/19/22/20/1044192220.db2.gz YIYMXXBSLFENSR-UHFFFAOYSA-N 0 1 328.843 4.422 20 10 EICDMN COc1cccc([C@@H](C)[NH2+]Cc2c([O-])cccc2Br)c1 ZINC000706833965 1044780555 /nfs/dbraw/zinc/78/05/55/1044780555.db2.gz NIILGFFCKXKHGP-LLVKDONJSA-N 0 1 336.229 4.014 20 10 EICDMN CCc1ccc(C[NH2+]Cc2c([O-])cccc2Br)s1 ZINC000706847041 1044784660 /nfs/dbraw/zinc/78/46/60/1044784660.db2.gz UYEJMFOXRCQFQP-UHFFFAOYSA-N 0 1 326.259 4.068 20 10 EICDMN C[N@H+](Cc1ccc(F)c(Cl)c1)Cc1c([O-])ccc2ccncc21 ZINC000762106531 1044926526 /nfs/dbraw/zinc/92/65/26/1044926526.db2.gz KXRDTLYHEITSRE-UHFFFAOYSA-N 0 1 330.790 4.365 20 10 EICDMN C[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1c([O-])ccc2ccncc21 ZINC000762106531 1044926539 /nfs/dbraw/zinc/92/65/39/1044926539.db2.gz KXRDTLYHEITSRE-UHFFFAOYSA-N 0 1 330.790 4.365 20 10 EICDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000738241119 1045051521 /nfs/dbraw/zinc/05/15/21/1045051521.db2.gz QBLOKCGOXBNUSX-HXUWFJFHSA-N 0 1 336.460 4.231 20 10 EICDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000738241119 1045051532 /nfs/dbraw/zinc/05/15/32/1045051532.db2.gz QBLOKCGOXBNUSX-HXUWFJFHSA-N 0 1 336.460 4.231 20 10 EICDMN C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000790935472 1045624892 /nfs/dbraw/zinc/62/48/92/1045624892.db2.gz WTGSFNOVASLJLZ-JXFKEZNVSA-N 0 1 325.452 4.185 20 10 EICDMN C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000790935472 1045624898 /nfs/dbraw/zinc/62/48/98/1045624898.db2.gz WTGSFNOVASLJLZ-JXFKEZNVSA-N 0 1 325.452 4.185 20 10 EICDMN Oc1c(Cl)cccc1CN(CCC(F)(F)F)CC(F)(F)F ZINC000790932976 1045626173 /nfs/dbraw/zinc/62/61/73/1045626173.db2.gz MICSEFVTPLIUMM-UHFFFAOYSA-N 0 1 335.675 4.362 20 10 EICDMN [O-]c1ccc(Cl)c(F)c1CNc1ccc(C[NH+]2CCCC2)cc1 ZINC000790951434 1045635459 /nfs/dbraw/zinc/63/54/59/1045635459.db2.gz OVBPYTATIQCDEG-UHFFFAOYSA-N 0 1 334.822 4.393 20 10 EICDMN C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1cc(Cl)ccc1[O-] ZINC000768159434 1045731401 /nfs/dbraw/zinc/73/14/01/1045731401.db2.gz FNWJSXZOBANZFT-UHFFFAOYSA-N 0 1 327.758 4.279 20 10 EICDMN C[N@H+](Cc1ccc(OC(F)F)cc1)Cc1cc(Cl)ccc1[O-] ZINC000768159434 1045731390 /nfs/dbraw/zinc/73/13/90/1045731390.db2.gz FNWJSXZOBANZFT-UHFFFAOYSA-N 0 1 327.758 4.279 20 10 EICDMN COc1cccc(O)c1CN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000768175774 1045736759 /nfs/dbraw/zinc/73/67/59/1045736759.db2.gz VNYQBKGZUFTXJV-UHFFFAOYSA-N 0 1 326.223 4.340 20 10 EICDMN Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000768198764 1045740741 /nfs/dbraw/zinc/74/07/41/1045740741.db2.gz OVWIGTWDMBYQRO-HNNXBMFYSA-N 0 1 325.239 4.375 20 10 EICDMN C[C@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000768272178 1045775249 /nfs/dbraw/zinc/77/52/49/1045775249.db2.gz QRDCVEWYJFQHBJ-HTQZYQBOSA-N 0 1 326.156 4.146 20 10 EICDMN C[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000768272180 1045776081 /nfs/dbraw/zinc/77/60/81/1045776081.db2.gz QRDCVEWYJFQHBJ-SFYZADRCSA-N 0 1 326.156 4.146 20 10 EICDMN COc1ccc(OC2CC[NH+](Cc3c([O-])cccc3Cl)CC2)cc1 ZINC000768366764 1045800403 /nfs/dbraw/zinc/80/04/03/1045800403.db2.gz IWNQOZSXRHFUQJ-UHFFFAOYSA-N 0 1 347.842 4.098 20 10 EICDMN COC[C@@H]1CCCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000768541231 1045817622 /nfs/dbraw/zinc/81/76/22/1045817622.db2.gz LSTCUTABQXQFHP-QGZVFWFLSA-N 0 1 325.452 4.308 20 10 EICDMN COC[C@@H]1CCCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000768541231 1045817623 /nfs/dbraw/zinc/81/76/23/1045817623.db2.gz LSTCUTABQXQFHP-QGZVFWFLSA-N 0 1 325.452 4.308 20 10 EICDMN COC[C@H]1CCCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000768541224 1045818169 /nfs/dbraw/zinc/81/81/69/1045818169.db2.gz LSTCUTABQXQFHP-KRWDZBQOSA-N 0 1 325.452 4.308 20 10 EICDMN COC[C@H]1CCCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000768541224 1045818173 /nfs/dbraw/zinc/81/81/73/1045818173.db2.gz LSTCUTABQXQFHP-KRWDZBQOSA-N 0 1 325.452 4.308 20 10 EICDMN Cc1cc(O)c(CN2CCO[C@@H](c3ccc(F)c(C)c3)C2)cc1C ZINC000763337013 1045828633 /nfs/dbraw/zinc/82/86/33/1045828633.db2.gz VCJXFMXZJKDLOT-HXUWFJFHSA-N 0 1 329.415 4.030 20 10 EICDMN CN(Cc1cnn(-c2ccccc2)c1)Cc1c(O)ccc(Cl)c1F ZINC000792156793 1045867085 /nfs/dbraw/zinc/86/70/85/1045867085.db2.gz NFZJHZKMSBMZBR-UHFFFAOYSA-N 0 1 345.805 4.002 20 10 EICDMN CN(C)c1ccccc1CN(Cc1ccco1)Cc1ccccc1O ZINC000744398800 1045940100 /nfs/dbraw/zinc/94/01/00/1045940100.db2.gz ZXHVHMBOLQSZAY-UHFFFAOYSA-N 0 1 336.435 4.254 20 10 EICDMN COc1cccc(O)c1CN(C)[C@H](C)c1sc(C(C)C)nc1C ZINC000769533876 1046008724 /nfs/dbraw/zinc/00/87/24/1046008724.db2.gz QRTYKZNMEXFYNY-CYBMUJFWSA-N 0 1 334.485 4.482 20 10 EICDMN CC(C)(C)c1ncc2c(n1)CCN(Cc1c(O)ccc3ccccc31)C2 ZINC000529641292 1046018497 /nfs/dbraw/zinc/01/84/97/1046018497.db2.gz LEZWUIVCKWXUHU-UHFFFAOYSA-N 0 1 347.462 4.191 20 10 EICDMN Cn1cc(Cl)cc1C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000770306584 1046176807 /nfs/dbraw/zinc/17/68/07/1046176807.db2.gz ZADMIZZVVYRISW-UHFFFAOYSA-N 0 1 333.646 4.323 20 10 EICDMN C[C@]12CC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C[C@H]1C2(Cl)Cl ZINC000793618129 1046313422 /nfs/dbraw/zinc/31/34/22/1046313422.db2.gz ZVXZVQRGCWZHEI-YPMHNXCESA-N 0 1 338.637 4.200 20 10 EICDMN CCOc1ccc(CN[C@@H](C)c2nc(C(F)(F)F)cs2)c(O)c1 ZINC000785602357 1046716711 /nfs/dbraw/zinc/71/67/11/1046716711.db2.gz PIJDYEAJMBUCBG-VIFPVBQESA-N 0 1 346.374 4.117 20 10 EICDMN Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])cc1 ZINC000786585859 1046850948 /nfs/dbraw/zinc/85/09/48/1046850948.db2.gz YWVRJNCZPJNKBN-LPHOPBHVSA-N 0 1 335.447 4.108 20 10 EICDMN CC[C@@H]([NH2+][C@H](C)Cc1cc(C)[nH]n1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806148308 1047173056 /nfs/dbraw/zinc/17/30/56/1047173056.db2.gz FMTXBNQIPWPUGQ-RFAUZJTJSA-N 0 1 342.270 4.402 20 10 EICDMN CC[C@H]([NH2+][C@@H](C)Cc1cc(C)[nH]n1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806148309 1047173689 /nfs/dbraw/zinc/17/36/89/1047173689.db2.gz FMTXBNQIPWPUGQ-VFZGTOFNSA-N 0 1 342.270 4.402 20 10 EICDMN CC[C@@H](Nc1cnn(-c2cc[nH+]cc2)c1)c1cccc(Cl)c1[O-] ZINC000806155414 1047180933 /nfs/dbraw/zinc/18/09/33/1047180933.db2.gz QSACOVZPBWYGCP-MRXNPFEDSA-N 0 1 328.803 4.190 20 10 EICDMN CC[C@@H](Nc1cn(C)nc1OC)c1cc(Cl)cc(Cl)c1O ZINC000806161382 1047185152 /nfs/dbraw/zinc/18/51/52/1047185152.db2.gz KGQDMRYLMXNKTR-LLVKDONJSA-N 0 1 330.215 4.004 20 10 EICDMN C[C@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1cc(Cl)ccc1[O-] ZINC000806180179 1047190377 /nfs/dbraw/zinc/19/03/77/1047190377.db2.gz LNFGNQDSBVIXQI-WCQYABFASA-N 0 1 340.250 4.126 20 10 EICDMN C[C@H](NCc1ccc(N2CCC(C)CC2)cc1)c1cn2ccccc2n1 ZINC000788589479 1047238277 /nfs/dbraw/zinc/23/82/77/1047238277.db2.gz BTZDXJYCINWBAH-SFHVURJKSA-N 0 1 348.494 4.421 20 10 EICDMN C[C@@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000788621392 1047252751 /nfs/dbraw/zinc/25/27/51/1047252751.db2.gz XLLUDUPPMWIFSN-CVEARBPZSA-N 0 1 328.431 4.099 20 10 EICDMN C[C@@H](Nc1cnn(-c2ccncc2)c1)c1cccc(C(F)(F)F)c1O ZINC000788720234 1047277907 /nfs/dbraw/zinc/27/79/07/1047277907.db2.gz UUUOSSSKUDOKEY-LLVKDONJSA-N 0 1 348.328 4.165 20 10 EICDMN O=C(c1ccc(F)cc1)C1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000789762633 1047469765 /nfs/dbraw/zinc/46/97/65/1047469765.db2.gz ROSMXQFQTCXEPP-UHFFFAOYSA-N 0 1 347.817 4.280 20 10 EICDMN O=C(c1ccc(F)cc1)C1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000789762633 1047469757 /nfs/dbraw/zinc/46/97/57/1047469757.db2.gz ROSMXQFQTCXEPP-UHFFFAOYSA-N 0 1 347.817 4.280 20 10 EICDMN CCCc1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)cc2C)c1 ZINC000790067725 1047511880 /nfs/dbraw/zinc/51/18/80/1047511880.db2.gz ALAWNCSAPRPTMI-UHFFFAOYSA-N 0 1 339.844 4.107 20 10 EICDMN Cn1ccc2c1cccc2C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840961 1047515746 /nfs/dbraw/zinc/51/57/46/1047515746.db2.gz OGNPUOREOSVFOJ-UHFFFAOYSA-N 0 1 349.217 4.121 20 10 EICDMN Cc1ccc(F)c(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807834127 1047519189 /nfs/dbraw/zinc/51/91/89/1047519189.db2.gz JTDQIDGHOSHAOT-UHFFFAOYSA-N 0 1 328.170 4.077 20 10 EICDMN Cc1cccc([C@H](C)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807837953 1047521764 /nfs/dbraw/zinc/52/17/64/1047521764.db2.gz HPVDQVFMJSENLZ-NSHDSACASA-N 0 1 338.234 4.427 20 10 EICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cncc2ccccc21 ZINC000807837445 1047523181 /nfs/dbraw/zinc/52/31/81/1047523181.db2.gz QFDJVDMQQLAJLW-UHFFFAOYSA-N 0 1 347.201 4.177 20 10 EICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1csc(Cl)c1 ZINC000807836851 1047524031 /nfs/dbraw/zinc/52/40/31/1047524031.db2.gz RIUFWGJGAPVPFL-UHFFFAOYSA-N 0 1 336.627 4.344 20 10 EICDMN C[C@H](CCC1CC1)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805295878 1047525672 /nfs/dbraw/zinc/52/56/72/1047525672.db2.gz ATSXGFBPBUACKO-SECBINFHSA-N 0 1 331.243 4.077 20 10 EICDMN COc1ccc(-n2c(C)cc(CN(C)Cc3cccnc3)c2C)cc1 ZINC000746894164 1047560295 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Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825529340 1048110305 /nfs/dbraw/zinc/11/03/05/1048110305.db2.gz AVYPHGJDHPYNOJ-GFCCVEGCSA-N 0 1 335.879 4.465 20 10 EICDMN Cc1cc(O)c(CN[C@@H]2CCCc3cn(C(C)C)nc32)cc1Cl ZINC000825526433 1048111224 /nfs/dbraw/zinc/11/12/24/1048111224.db2.gz SCHJTBCBUVQTMS-MRXNPFEDSA-N 0 1 333.863 4.299 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c1[O-] ZINC000808793483 1048112906 /nfs/dbraw/zinc/11/29/06/1048112906.db2.gz HJTNWBCWPWDKJD-XBXGTLAGSA-N 0 1 347.352 4.287 20 10 EICDMN CC[N@@H+](Cc1ccc(OC)c(C(F)(F)F)c1)Cc1ccccc1O ZINC001143646345 1048134632 /nfs/dbraw/zinc/13/46/32/1048134632.db2.gz PCAIIWKNPDAYJN-UHFFFAOYSA-N 0 1 339.357 4.442 20 10 EICDMN CCc1ccc(C[N@H+](CC)Cc2cc(Br)ccc2O)nc1 ZINC000815054990 1048305944 /nfs/dbraw/zinc/30/59/44/1048305944.db2.gz QWMNDELHUBYFMH-UHFFFAOYSA-N 0 1 349.272 4.134 20 10 EICDMN CCc1ccc(C[N@@H+](CC)Cc2cc(Br)ccc2[O-])nc1 ZINC000815054990 1048305957 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COCC1(CC[NH2+][C@H](C)c2ccc(Br)cc2[O-])CCC1 ZINC000815642372 1048566916 /nfs/dbraw/zinc/56/69/16/1048566916.db2.gz ADURYGHQAXJIMT-GFCCVEGCSA-N 0 1 342.277 4.012 20 10 EICDMN C[C@H]1C[C@H](NCc2c(F)cc(F)cc2F)c2c1c(F)ccc2O ZINC000815649822 1048573766 /nfs/dbraw/zinc/57/37/66/1048573766.db2.gz ZSMQUIJYNBXYKE-RTHLEPHNSA-N 0 1 325.305 4.287 20 10 EICDMN CC[C@H]([NH2+]Cc1cccc(O)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215239 1048683903 /nfs/dbraw/zinc/68/39/03/1048683903.db2.gz UPJNYEGCDBUPOR-HNNXBMFYSA-N 0 1 325.330 4.358 20 10 EICDMN CC[C@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217696 1048686183 /nfs/dbraw/zinc/68/61/83/1048686183.db2.gz ABGDDRFATZKIPW-ZFWWWQNUSA-N 0 1 345.386 4.247 20 10 EICDMN CC[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(C(F)(F)F)cc1[O-] ZINC000810224728 1048691845 /nfs/dbraw/zinc/69/18/45/1048691845.db2.gz XGNBLRPUWQELOE-LJIGWXMPSA-N 0 1 343.389 4.409 20 10 EICDMN CC[C@H]([NH2+]C[C@H]1CCO[C@@H](C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810222976 1048692089 /nfs/dbraw/zinc/69/20/89/1048692089.db2.gz AUXVNXPNZLUGRX-HUBLWGQQSA-N 0 1 331.378 4.267 20 10 EICDMN CC[C@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810224910 1048693026 /nfs/dbraw/zinc/69/30/26/1048693026.db2.gz ZTWOCZLNFGVFFE-HOTGVXAUSA-N 0 1 339.357 4.185 20 10 EICDMN CC[C@H]([NH2+]CC1(CCOC)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227824 1048696131 /nfs/dbraw/zinc/69/61/31/1048696131.db2.gz KKCCQKYLCVELJW-AWEZNQCLSA-N 0 1 331.378 4.268 20 10 EICDMN CC[C@H]([NH2+]Cc1cccc(F)n1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228471 1048697780 /nfs/dbraw/zinc/69/77/80/1048697780.db2.gz VPHXFWFFAQYICO-ZDUSSCGKSA-N 0 1 328.309 4.186 20 10 EICDMN CC[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810207619 1048704196 /nfs/dbraw/zinc/70/41/96/1048704196.db2.gz MMELWZGCMDZPDE-OAHLLOKOSA-N 0 1 349.356 4.300 20 10 EICDMN CC[C@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237378 1048719918 /nfs/dbraw/zinc/71/99/18/1048719918.db2.gz GUWCMJIVGUCZPD-HIFRSBDPSA-N 0 1 331.378 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EICDMN [O-]c1c(C[NH2+]CC2(c3ccccc3)CCOCC2)ccc2ccccc21 ZINC000816535403 1048825741 /nfs/dbraw/zinc/82/57/41/1048825741.db2.gz NSCMDAQSHYIVQA-UHFFFAOYSA-N 0 1 347.458 4.383 20 10 EICDMN COc1cccc([C@@H](C)NCc2ccsc2Br)c1O ZINC000846166642 1048827330 /nfs/dbraw/zinc/82/73/30/1048827330.db2.gz BLAMXJKEDBKQGK-SECBINFHSA-N 0 1 342.258 4.076 20 10 EICDMN COc1cc(Cl)ccc1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816551875 1048832404 /nfs/dbraw/zinc/83/24/04/1048832404.db2.gz RJFHDWKJXLGHPE-UHFFFAOYSA-N 0 1 327.811 4.497 20 10 EICDMN COc1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cc1Cl ZINC000816558401 1048834765 /nfs/dbraw/zinc/83/47/65/1048834765.db2.gz XOVDTNAORUMXDK-UHFFFAOYSA-N 0 1 327.811 4.497 20 10 EICDMN C[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000846187076 1048836994 /nfs/dbraw/zinc/83/69/94/1048836994.db2.gz HXYDTTKVLJCLIV-XOBRGWDASA-N 0 1 325.452 4.401 20 10 EICDMN C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816573762 1048838698 /nfs/dbraw/zinc/83/86/98/1048838698.db2.gz 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CCOc1cccc(Cl)c1CN[C@H](C)c1cc(OC)ccc1O ZINC000846845181 1048924279 /nfs/dbraw/zinc/92/42/79/1048924279.db2.gz UQKWCSWCMRKTSO-GFCCVEGCSA-N 0 1 335.831 4.304 20 10 EICDMN CC[C@@H]([NH2+]Cc1cc(C)nc(C)c1)c1cc(Br)ccc1[O-] ZINC000817589551 1049019442 /nfs/dbraw/zinc/01/94/42/1049019442.db2.gz OEXDFIZEEPXUJX-MRXNPFEDSA-N 0 1 349.272 4.407 20 10 EICDMN Cc1cnn([C@@H]2CC[N@H+](Cc3cc4oc5ccccc5c4cc3[O-])C2)c1 ZINC000811800155 1049270867 /nfs/dbraw/zinc/27/08/67/1049270867.db2.gz KVOJZIBCFUBRJF-MRXNPFEDSA-N 0 1 347.418 4.244 20 10 EICDMN Cc1cnn([C@@H]2CC[N@@H+](Cc3cc4oc5ccccc5c4cc3[O-])C2)c1 ZINC000811800155 1049270883 /nfs/dbraw/zinc/27/08/83/1049270883.db2.gz KVOJZIBCFUBRJF-MRXNPFEDSA-N 0 1 347.418 4.244 20 10 EICDMN [O-]c1cc2ccccc2cc1C[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170670048 1049394157 /nfs/dbraw/zinc/39/41/57/1049394157.db2.gz PPVGKKMLHKBFSG-GOSISDBHSA-N 0 1 339.385 4.471 20 10 EICDMN CCN(C)c1ccc([C@@H](C)NCc2nc3cc(F)ccc3n2C)cc1 ZINC000772997482 1049497978 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CC[C@H](C)OCC[C@H](C)N1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001172338083 1049888046 /nfs/dbraw/zinc/88/80/46/1049888046.db2.gz ACYNOFJHYNKIIU-HOTGVXAUSA-N 0 1 344.499 4.139 20 10 EICDMN CC(C)Oc1cccc(CNCc2cc(F)c(N(C)C)cc2F)c1 ZINC001177323414 1050191907 /nfs/dbraw/zinc/19/19/07/1050191907.db2.gz UULRYUNNSFEIDF-UHFFFAOYSA-N 0 1 334.410 4.108 20 10 EICDMN C[C@H]1C[C@@H]1c1ccc(CNCc2ccc(N3CCSCC3)cc2)o1 ZINC000069716541 1050314501 /nfs/dbraw/zinc/31/45/01/1050314501.db2.gz IUADUXRAYBNYCQ-KXBFYZLASA-N 0 1 342.508 4.246 20 10 EICDMN Cc1cc(NCc2ccc(N3CCN(C)CC3)cc2)ccc1C1CC1 ZINC001178513695 1050487355 /nfs/dbraw/zinc/48/73/55/1050487355.db2.gz AMCJNNCMIMXXQK-UHFFFAOYSA-N 0 1 335.495 4.236 20 10 EICDMN COC(=O)c1ccc(C[C@H](C)[NH2+]Cc2cc3ccccc3cc2[O-])cc1 ZINC001173721348 1050555125 /nfs/dbraw/zinc/55/51/25/1050555125.db2.gz PWHVNNMOPKXWCB-HNNXBMFYSA-N 0 1 349.430 4.053 20 10 EICDMN COc1ccc(O)c([C@@H](C)NCc2cc(-c3ccc(C)cc3)no2)c1 ZINC000182363389 1050628615 /nfs/dbraw/zinc/62/86/15/1050628615.db2.gz 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CC[C@@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1cc(Cl)ccc1[O-] ZINC000775488869 1051569363 /nfs/dbraw/zinc/56/93/63/1051569363.db2.gz VVVWHUHNFXIZEV-CVEARBPZSA-N 0 1 338.904 4.451 20 10 EICDMN C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1ccc(Cl)cn1 ZINC000775490566 1051576235 /nfs/dbraw/zinc/57/62/35/1051576235.db2.gz CUBPARLTEZGTOO-CQSZACIVSA-N 0 1 347.915 4.139 20 10 EICDMN CC[C@@H]([NH2+][C@H]1CCCc2nc(C)ncc21)c1cc(Cl)ccc1[O-] ZINC000775508558 1051639308 /nfs/dbraw/zinc/63/93/08/1051639308.db2.gz VQJQHGZCWGQILZ-WBVHZDCISA-N 0 1 331.847 4.262 20 10 EICDMN CC[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cc(Cl)ccc1[O-] ZINC000775510022 1051641033 /nfs/dbraw/zinc/64/10/33/1051641033.db2.gz UIXDBBOLOAMTMQ-HOCLYGCPSA-N 0 1 325.861 4.056 20 10 EICDMN CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1[O-] ZINC000775508383 1051642528 /nfs/dbraw/zinc/64/25/28/1051642528.db2.gz IJBCMBSGZQVERJ-HNNXBMFYSA-N 0 1 334.803 4.237 20 10 EICDMN CC[C@H]([NH2+][C@@H](C)Cc1c(C)nn(C)c1C)c1cc(Cl)ccc1[O-] ZINC000775509080 1051649299 /nfs/dbraw/zinc/64/92/99/1051649299.db2.gz NAUHJTGONDAILH-GTNSWQLSSA-N 0 1 335.879 4.068 20 10 EICDMN CC[C@H]([NH2+]CC1(CCO)CCCCC1)c1cc(Cl)ccc1[O-] ZINC000775513558 1051650755 /nfs/dbraw/zinc/65/07/55/1051650755.db2.gz RGHDZLFBARQTOP-INIZCTEOSA-N 0 1 325.880 4.419 20 10 EICDMN CC[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](=O)CC)C1)c1cc(Cl)ccc1[O-] ZINC000775513482 1051651964 /nfs/dbraw/zinc/65/19/64/1051651964.db2.gz ZQEAVCGDRNCCBO-WRMXOXQISA-N 0 1 343.920 4.166 20 10 EICDMN CC[C@@H]([NH2+]Cc1cccc2c1OCCCO2)c1cc(Cl)ccc1[O-] ZINC000775522486 1051694359 /nfs/dbraw/zinc/69/43/59/1051694359.db2.gz RAKYHWJXOCEMLS-MRXNPFEDSA-N 0 1 347.842 4.448 20 10 EICDMN CC[C@H]([NH2+][C@@H](C)[C@H](O)c1cccc(F)c1)c1cc(Cl)ccc1[O-] ZINC000775528402 1051739149 /nfs/dbraw/zinc/73/91/49/1051739149.db2.gz YBLBSXPZGLXAHA-PBQZTSCYSA-N 0 1 337.822 4.348 20 10 EICDMN C[C@H]1Cc2ccc(Br)cc2CN1Cc1ccccc1O ZINC001203562312 1051816483 /nfs/dbraw/zinc/81/64/83/1051816483.db2.gz HSILNBGHSWCHEL-LBPRGKRZSA-N 0 1 332.241 4.102 20 10 EICDMN COC1(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])CCCCC1 ZINC000775564007 1051866546 /nfs/dbraw/zinc/86/65/46/1051866546.db2.gz YBJPDRMPSNCULN-GFCCVEGCSA-N 0 1 342.277 4.155 20 10 EICDMN Cc1ccc(-c2nc(CNCc3ccc(Cl)cc3O)co2)cc1 ZINC001183754741 1051896134 /nfs/dbraw/zinc/89/61/34/1051896134.db2.gz JMSHXZAGJZKUTC-UHFFFAOYSA-N 0 1 328.799 4.299 20 10 EICDMN Cc1ccc(OC(C)C)cc1NC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193626161 1051957179 /nfs/dbraw/zinc/95/71/79/1051957179.db2.gz WIMXPWGNCVICJU-UHFFFAOYSA-N 0 1 335.787 4.099 20 10 EICDMN COc1c([O-])c(C[N@@H+](Cc2ccccc2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000774821778 1052171007 /nfs/dbraw/zinc/17/10/07/1052171007.db2.gz SNSSFZLKTDZGAD-UHFFFAOYSA-N 0 1 344.411 4.110 20 10 EICDMN Cc1ccccc1C1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CCOCC1 ZINC000185126797 1052447610 /nfs/dbraw/zinc/44/76/10/1052447610.db2.gz WRGIOLVRFOWEFO-INIZCTEOSA-N 0 1 343.442 4.239 20 10 EICDMN C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])[C@H](O)c1ccc(F)cc1 ZINC000185468562 1052610956 /nfs/dbraw/zinc/61/09/56/1052610956.db2.gz MZUQLWXBFUAAJX-MNVSYLFESA-N 0 1 339.410 4.457 20 10 EICDMN COC[C@@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1ccc(C)o1 ZINC000185630721 1052662465 /nfs/dbraw/zinc/66/24/65/1052662465.db2.gz KEBURQOQHAEHBN-KBXCAEBGSA-N 0 1 329.440 4.211 20 10 EICDMN C[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccc2ccccc2c1[O-] ZINC000186094843 1052870674 /nfs/dbraw/zinc/87/06/74/1052870674.db2.gz WJMVHADWBZXORW-LFPIHBKWSA-N 0 1 339.460 4.134 20 10 EICDMN CC[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1cc(Br)ccc1[O-] ZINC000850482033 1053253929 /nfs/dbraw/zinc/25/39/29/1053253929.db2.gz MDJXAEDGMXIETH-SWLSCSKDSA-N 0 1 349.272 4.394 20 10 EICDMN C[C@@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1cc(Br)ccc1[O-] ZINC000850543272 1053305325 /nfs/dbraw/zinc/30/53/25/1053305325.db2.gz HDPBPQQXAWWXGK-HWPZZCPQSA-N 0 1 348.240 4.198 20 10 EICDMN CC(C)[C@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC000850555216 1053308311 /nfs/dbraw/zinc/30/83/11/1053308311.db2.gz NQPQGBRNFQLZRT-AGRHKRQWSA-N 0 1 333.859 4.454 20 10 EICDMN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1Cl ZINC000850565134 1053319197 /nfs/dbraw/zinc/31/91/97/1053319197.db2.gz BAWVFKSPMATLRJ-HNNXBMFYSA-N 0 1 344.886 4.152 20 10 EICDMN C[C@H](N[C@@H](C)c1ccc(N2CCCCCC2)cc1)c1nccn1C ZINC000850572495 1053326564 /nfs/dbraw/zinc/32/65/64/1053326564.db2.gz KSCGLTNKRLJNKO-IRXDYDNUSA-N 0 1 326.488 4.212 20 10 EICDMN C[C@H]([NH2+]C[C@@H](O)[C@@H](C)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000850572094 1053326989 /nfs/dbraw/zinc/32/69/89/1053326989.db2.gz AJZQVVRNYFHZGH-CKJXQJPGSA-N 0 1 335.447 4.361 20 10 EICDMN CCN(C)c1ccc([C@H](C)NCc2cccnc2OC(C)C)cc1 ZINC000764985806 1053403000 /nfs/dbraw/zinc/40/30/00/1053403000.db2.gz VDFNXOMKQGOAPI-INIZCTEOSA-N 0 1 327.472 4.176 20 10 EICDMN CCCOc1ncccc1CN[C@H](CC)c1ccc(N(C)C)cc1 ZINC000765330880 1053504591 /nfs/dbraw/zinc/50/45/91/1053504591.db2.gz KTQGMEHMTCXTQG-LJQANCHMSA-N 0 1 327.472 4.177 20 10 EICDMN COc1ccc([C@@H](C)NCc2ccc3c(c2)CCCN3C)c(F)c1 ZINC000765484245 1053564093 /nfs/dbraw/zinc/56/40/93/1053564093.db2.gz AKELXNIHMLZGIG-CQSZACIVSA-N 0 1 328.431 4.068 20 10 EICDMN C[C@H](c1nc2ccccc2n1C(F)F)N(C)Cc1ccccc1O ZINC000171926003 1053585652 /nfs/dbraw/zinc/58/56/52/1053585652.db2.gz VYDOGCXRVOPHBU-GFCCVEGCSA-N 0 1 331.366 4.330 20 10 EICDMN CCC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000775715617 1053672369 /nfs/dbraw/zinc/67/23/69/1053672369.db2.gz HYNOPDPPZLXMFZ-KBRIMQKVSA-N 0 1 341.854 4.210 20 10 EICDMN C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000866540292 1053774874 /nfs/dbraw/zinc/77/48/74/1053774874.db2.gz YDXKFGJTHVESQH-LIVBEALHSA-N 0 1 325.452 4.259 20 10 EICDMN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1cc(F)ccc1F ZINC000112536862 1053838880 /nfs/dbraw/zinc/83/88/80/1053838880.db2.gz GPYDEVFDPKBDJH-LSDHHAIUSA-N 0 1 346.421 4.213 20 10 EICDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1[O-] ZINC001197646149 1053958956 /nfs/dbraw/zinc/95/89/56/1053958956.db2.gz BWNQJLNDTXBOOJ-SNVBAGLBSA-N 0 1 348.786 4.007 20 10 EICDMN C[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc2ccccc2c1[O-] ZINC000186165713 1054063557 /nfs/dbraw/zinc/06/35/57/1054063557.db2.gz VDRDBANWQXVJMQ-OYHNWAKOSA-N 0 1 333.431 4.030 20 10 EICDMN CCn1c(CN[C@@H](C)c2ccc(N(C)C)cc2)nc2cc(F)ccc21 ZINC000775835618 1054114551 /nfs/dbraw/zinc/11/45/51/1054114551.db2.gz GXECGJSAEYXDLP-AWEZNQCLSA-N 0 1 340.446 4.112 20 10 EICDMN Cc1ccccc1C1([NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000858181618 1054433959 /nfs/dbraw/zinc/43/39/59/1054433959.db2.gz UDFWDRUPTOBJEU-UHFFFAOYSA-N 0 1 332.241 4.242 20 10 EICDMN C[C@@H](NCc1ccc(N2CCCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000873184276 1054502760 /nfs/dbraw/zinc/50/27/60/1054502760.db2.gz JNSJXGNYIYAIGA-MRXNPFEDSA-N 0 1 339.439 4.436 20 10 EICDMN COc1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc(Cl)c1OC ZINC000776154266 1054754020 /nfs/dbraw/zinc/75/40/20/1054754020.db2.gz QZQAWNUCGDURMZ-UHFFFAOYSA-N 0 1 342.222 4.006 20 10 EICDMN C[C@H](NCc1c(O)cccc1Br)c1cccc(F)c1F ZINC001201541364 1054835922 /nfs/dbraw/zinc/83/59/22/1054835922.db2.gz DUNYJTAULHSOFD-VIFPVBQESA-N 0 1 342.183 4.284 20 10 EICDMN CC(C)n1cc2c(n1)[C@H](NCc1ccc(N3CCCC3)cc1)CCC2 ZINC001201617933 1054865663 /nfs/dbraw/zinc/86/56/63/1054865663.db2.gz JXULSEGISYOBEK-HXUWFJFHSA-N 0 1 338.499 4.231 20 10 EICDMN C[C@@H](NCc1ccccc1O)c1ccc(C(F)(F)F)nc1Cl ZINC000862379303 1055060973 /nfs/dbraw/zinc/06/09/73/1055060973.db2.gz JKWSQWKMFNIQCA-SECBINFHSA-N 0 1 330.737 4.310 20 10 EICDMN Cc1c2ccccc2n(C)c1CNCc1c(F)cccc1-n1cccn1 ZINC001202436680 1055174830 /nfs/dbraw/zinc/17/48/30/1055174830.db2.gz YBTZRQZAUHPVAQ-UHFFFAOYSA-N 0 1 348.425 4.101 20 10 EICDMN C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1Cl)c1cc(Cl)ccc1[O-] ZINC000765808749 1055448184 /nfs/dbraw/zinc/44/81/84/1055448184.db2.gz JUFPPLCKLOVTST-APPDUMDISA-N 0 1 340.250 4.257 20 10 EICDMN Oc1ccccc1C[N@@H+](CCCC1CCOCC1)Cc1ccco1 ZINC000765931491 1056570276 /nfs/dbraw/zinc/57/02/76/1056570276.db2.gz GJEHDPBQIMKGAN-UHFFFAOYSA-N 0 1 329.440 4.194 20 10 EICDMN CCCCOCCC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000756343640 1056591417 /nfs/dbraw/zinc/59/14/17/1056591417.db2.gz ZMARENRCUZBONR-LBPRGKRZSA-N 0 1 330.266 4.012 20 10 EICDMN COc1ccc([C@@H](C)[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000076275403 201363887 /nfs/dbraw/zinc/36/38/87/201363887.db2.gz CEJGNYAMWMUEMC-LLVKDONJSA-N 0 1 336.229 4.014 20 10 EICDMN C[C@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccco1 ZINC000529391663 1032340842 /nfs/dbraw/zinc/34/08/42/1032340842.db2.gz ILBYROGDZYHYQG-SECBINFHSA-N 0 1 328.195 4.102 20 10 EICDMN CC[C@@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841759539 1032551269 /nfs/dbraw/zinc/55/12/69/1032551269.db2.gz ZMRPQLXZSMYAMU-KOLCDFICSA-N 0 1 325.758 4.054 20 10 EICDMN CCCC[N@@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])C1CC1 ZINC000728194567 1019326089 /nfs/dbraw/zinc/32/60/89/1019326089.db2.gz AVWJLEZXVZWZOR-UHFFFAOYSA-N 0 1 339.435 4.093 20 10 EICDMN Cc1ccc(CN(Cc2ccc(N(C)C)cc2)C2CC2)nc1Cl ZINC001167107208 1020182528 /nfs/dbraw/zinc/18/25/28/1020182528.db2.gz AJPYEVOEVCSRTH-UHFFFAOYSA-N 0 1 329.875 4.274 20 10 EICDMN C[C@H](NCc1ccc(F)cc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000135965690 1021697870 /nfs/dbraw/zinc/69/78/70/1021697870.db2.gz YSKBRBCONLMFEP-AWEZNQCLSA-N 0 1 348.849 4.167 20 10 EICDMN C[C@H](CCc1ccco1)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000756356385 1022343065 /nfs/dbraw/zinc/34/30/65/1022343065.db2.gz AZCPQWJSCPDCEC-VXGBXAGGSA-N 0 1 338.245 4.420 20 10 EICDMN C[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000363855918 1022859432 /nfs/dbraw/zinc/85/94/32/1022859432.db2.gz OALJQSUMQMEYRY-YJYMSZOUSA-N 0 1 341.842 4.219 20 10 EICDMN C[C@@H](N[C@H](c1cnn(C)c1)c1ccccc1)c1cc(Cl)ccc1O ZINC000363855918 1022859437 /nfs/dbraw/zinc/85/94/37/1022859437.db2.gz OALJQSUMQMEYRY-YJYMSZOUSA-N 0 1 341.842 4.219 20 10 EICDMN COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000326027670 1023016965 /nfs/dbraw/zinc/01/69/65/1023016965.db2.gz RWFDMQDRFKHCTP-CYBMUJFWSA-N 0 1 349.858 4.126 20 10 EICDMN COc1ccccc1C[C@@H](C)[N@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000326027670 1023016982 /nfs/dbraw/zinc/01/69/82/1023016982.db2.gz RWFDMQDRFKHCTP-CYBMUJFWSA-N 0 1 349.858 4.126 20 10 EICDMN COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000326027670 1023016997 /nfs/dbraw/zinc/01/69/97/1023016997.db2.gz RWFDMQDRFKHCTP-CYBMUJFWSA-N 0 1 349.858 4.126 20 10 EICDMN CC[C@H](C[NH2+]Cc1cc(Br)ccc1[O-])CC(F)(F)F ZINC000402595069 1023039808 /nfs/dbraw/zinc/03/98/08/1023039808.db2.gz LQWVZYXJMOZCAT-VIFPVBQESA-N 0 1 340.183 4.223 20 10 EICDMN Cc1ccc(O)c([C@H](C)NCc2nccn2CCCc2ccccc2)c1 ZINC000185662025 1023061459 /nfs/dbraw/zinc/06/14/59/1023061459.db2.gz TUCCPSFGJXNZEC-SFHVURJKSA-N 0 1 349.478 4.381 20 10 EICDMN C[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)c1cc(Br)ccc1[O-] ZINC000756534685 1023405253 /nfs/dbraw/zinc/40/52/53/1023405253.db2.gz MPQYXOVJAFDKBP-YPMHNXCESA-N 0 1 332.241 4.145 20 10 EICDMN C[N@H+](Cc1c([O-])cccc1Br)[C@@H]1CCc2ccccc21 ZINC000707144074 1023489887 /nfs/dbraw/zinc/48/98/87/1023489887.db2.gz YLAHNTXEMWYJSL-MRXNPFEDSA-N 0 1 332.241 4.274 20 10 EICDMN C[N@@H+](Cc1c([O-])cccc1Br)[C@@H]1CCc2ccccc21 ZINC000707144074 1023489893 /nfs/dbraw/zinc/48/98/93/1023489893.db2.gz YLAHNTXEMWYJSL-MRXNPFEDSA-N 0 1 332.241 4.274 20 10 EICDMN CC[C@@H]([NH2+][C@H](C)c1ccccn1)c1cc(Br)ccc1[O-] ZINC000020123484 1023730881 /nfs/dbraw/zinc/73/08/81/1023730881.db2.gz WZWRBYDJOLONAP-BXUZGUMPSA-N 0 1 335.245 4.352 20 10 EICDMN CC[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000377799464 1023762852 /nfs/dbraw/zinc/76/28/52/1023762852.db2.gz VCPRFKRESMCZTH-MFKMUULPSA-N 0 1 340.254 4.020 20 10 EICDMN C[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1ccc(Br)cc1[O-] ZINC000756784969 1024782994 /nfs/dbraw/zinc/78/29/94/1024782994.db2.gz REGJUQHVUJPGSN-APPDUMDISA-N 0 1 347.256 4.352 20 10 EICDMN CC[C@H](C)c1nnc([C@H](C)N[C@@H](CC)c2ccc(N(C)C)cc2)[nH]1 ZINC000277358386 1025801028 /nfs/dbraw/zinc/80/10/28/1025801028.db2.gz WFKGMQPGKQODRC-ZQIUZPCESA-N 0 1 329.492 4.186 20 10 EICDMN CC[N@H+](CCOCCC(C)C)Cc1cc(Br)ccc1[O-] ZINC001167512508 1025854114 /nfs/dbraw/zinc/85/41/14/1025854114.db2.gz OQOQNBZSIFMTKJ-UHFFFAOYSA-N 0 1 344.293 4.039 20 10 EICDMN CC[N@@H+](CCOCCC(C)C)Cc1cc(Br)ccc1[O-] ZINC001167512508 1025854115 /nfs/dbraw/zinc/85/41/15/1025854115.db2.gz OQOQNBZSIFMTKJ-UHFFFAOYSA-N 0 1 344.293 4.039 20 10 EICDMN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708074828 1026840036 /nfs/dbraw/zinc/84/00/36/1026840036.db2.gz HHPYUINAAGQLAX-JOYOIKCWSA-N 0 1 332.669 4.429 20 10 EICDMN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708074829 1026840578 /nfs/dbraw/zinc/84/05/78/1026840578.db2.gz HHPYUINAAGQLAX-SKDRFNHKSA-N 0 1 332.669 4.429 20 10 EICDMN CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708132608 1027403930 /nfs/dbraw/zinc/40/39/30/1027403930.db2.gz FFGZREGSNNTZGP-SNVBAGLBSA-N 0 1 332.669 4.430 20 10 EICDMN Cc1cc(O)c(CN[C@@H](C)c2nc(C(F)(F)F)cs2)cc1C ZINC000278764577 1029835380 /nfs/dbraw/zinc/83/53/80/1029835380.db2.gz OEGRIPJJTFKSRH-JTQLQIEISA-N 0 1 330.375 4.335 20 10 EICDMN Oc1c(Cl)cc(Cl)cc1CNc1cccc2c1OCC[C@H]2O ZINC000184071000 1030049781 /nfs/dbraw/zinc/04/97/81/1030049781.db2.gz YEAWFEOXBHQPQK-CQSZACIVSA-N 0 1 340.206 4.127 20 10 EICDMN Cc1ccc([C@H](C)NCc2nnc(-c3ccccc3)s2)c(O)c1 ZINC000186105411 1030249867 /nfs/dbraw/zinc/24/98/67/1030249867.db2.gz PAZSDZBIXFKRIC-ZDUSSCGKSA-N 0 1 325.437 4.070 20 10 EICDMN Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc(Br)ccc1[O-] ZINC000188949014 1030439960 /nfs/dbraw/zinc/43/99/60/1030439960.db2.gz OHLTZXVLIKVOFC-HNNXBMFYSA-N 0 1 348.240 4.077 20 10 EICDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000305770251 1031299297 /nfs/dbraw/zinc/29/92/97/1031299297.db2.gz GZUGGTXJFXJLJL-UKRRQHHQSA-N 0 1 337.872 4.195 20 10 EICDMN C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])[C@@H](O)c1ccc(F)cc1 ZINC000248499666 1033860069 /nfs/dbraw/zinc/86/00/69/1033860069.db2.gz MZUQLWXBFUAAJX-LRDNONRASA-N 0 1 339.410 4.457 20 10 EICDMN CCc1ccc([C@@H](C)NCc2ccc(N3CCSCC3)cc2)o1 ZINC000163639828 1035643191 /nfs/dbraw/zinc/64/31/91/1035643191.db2.gz YBLVLGLAQJFOCJ-OAHLLOKOSA-N 0 1 330.497 4.246 20 10 EICDMN [O-]c1ccc(Br)cc1C[NH2+]CCc1ccc(Cl)s1 ZINC000227441278 1035795745 /nfs/dbraw/zinc/79/57/45/1035795745.db2.gz BSYKKGCBQDEAMZ-UHFFFAOYSA-N 0 1 346.677 4.202 20 10 EICDMN COc1cc(Cl)cc(CN2CCCC[C@@H]2c2cccn2C)c1O ZINC000761201566 1036024756 /nfs/dbraw/zinc/02/47/56/1036024756.db2.gz BZMWKPRPKIFAOE-MRXNPFEDSA-N 0 1 334.847 4.120 20 10 EICDMN CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000761207059 1036051409 /nfs/dbraw/zinc/05/14/09/1036051409.db2.gz XIUFBHNRKACHFN-ZIAGYGMSSA-N 0 1 329.893 4.160 20 10 EICDMN CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000761207059 1036051430 /nfs/dbraw/zinc/05/14/30/1036051430.db2.gz XIUFBHNRKACHFN-ZIAGYGMSSA-N 0 1 329.893 4.160 20 10 EICDMN C[C@@H]([NH2+]C1CCN(C2CCC2)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273462167 1037473581 /nfs/dbraw/zinc/47/35/81/1037473581.db2.gz CWLQBLYTTNQXAR-LLVKDONJSA-N 0 1 343.298 4.367 20 10 EICDMN CC[C@H]([NH2+]CCC(F)(F)F)c1cc(Br)ccc1[O-] ZINC000063098661 1038000975 /nfs/dbraw/zinc/00/09/75/1038000975.db2.gz OBIQAOLUMPPQON-JTQLQIEISA-N 0 1 326.156 4.148 20 10 EICDMN CCN(C)c1ccc([C@H](C)N[C@H](c2cnn(C)c2)c2ccccc2)cc1 ZINC000366682552 1042016359 /nfs/dbraw/zinc/01/63/59/1042016359.db2.gz TUCVMQWMKBPLOW-JTSKRJEESA-N 0 1 348.494 4.316 20 10 EICDMN Cc1sc(NS(=O)(=O)c2ccccc2C)nc1-c1ccccc1 ZINC000727244131 1043173508 /nfs/dbraw/zinc/17/35/08/1043173508.db2.gz VGGGTRVTHMCTIC-UHFFFAOYSA-N 0 1 344.461 4.228 20 10 EICDMN Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1c([O-])ccc3ccncc31)CCC2 ZINC000732189958 1043880928 /nfs/dbraw/zinc/88/09/28/1043880928.db2.gz WJIMFLHJRCKKHP-KRWDZBQOSA-N 0 1 339.464 4.215 20 10 EICDMN Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1c([O-])ccc3ccncc31)CCC2 ZINC000732189958 1043880933 /nfs/dbraw/zinc/88/09/33/1043880933.db2.gz WJIMFLHJRCKKHP-KRWDZBQOSA-N 0 1 339.464 4.215 20 10 EICDMN C[N@H+](CCc1ccc(Cl)cc1)Cc1c([O-])ccc2ccncc21 ZINC000733300641 1044167257 /nfs/dbraw/zinc/16/72/57/1044167257.db2.gz VEEQBVYZFJCDNK-UHFFFAOYSA-N 0 1 326.827 4.268 20 10 EICDMN C[N@@H+](CCc1ccc(Cl)cc1)Cc1c([O-])ccc2ccncc21 ZINC000733300641 1044167273 /nfs/dbraw/zinc/16/72/73/1044167273.db2.gz VEEQBVYZFJCDNK-UHFFFAOYSA-N 0 1 326.827 4.268 20 10 EICDMN [O-]c1ccccc1C[N@H+](CCCOCC(F)(F)F)C1CCCC1 ZINC000733613621 1044271409 /nfs/dbraw/zinc/27/14/09/1044271409.db2.gz DVMWFYPZNLWJCH-UHFFFAOYSA-N 0 1 331.378 4.106 20 10 EICDMN [O-]c1ccccc1C[N@@H+](CCCOCC(F)(F)F)C1CCCC1 ZINC000733613621 1044271423 /nfs/dbraw/zinc/27/14/23/1044271423.db2.gz DVMWFYPZNLWJCH-UHFFFAOYSA-N 0 1 331.378 4.106 20 10 EICDMN COc1cc(Cl)cc(CN[C@H](C)c2ccc(F)cc2F)c1O ZINC000378872693 1044414696 /nfs/dbraw/zinc/41/46/96/1044414696.db2.gz RUWFQOBALFTQEE-SECBINFHSA-N 0 1 327.758 4.183 20 10 EICDMN [O-]c1cccc(Br)c1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000706843316 1044788968 /nfs/dbraw/zinc/78/89/68/1044788968.db2.gz QNPQVHIJWLRIHK-QGZVFWFLSA-N 0 1 332.241 4.396 20 10 EICDMN CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2c([O-])ccc3ccncc32)c1 ZINC000735484813 1044824937 /nfs/dbraw/zinc/82/49/37/1044824937.db2.gz IFLIDLCPGPHWRZ-NRFANRHFSA-N 0 1 347.462 4.344 20 10 EICDMN CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2c([O-])ccc3ccncc32)c1 ZINC000735484813 1044824955 /nfs/dbraw/zinc/82/49/55/1044824955.db2.gz IFLIDLCPGPHWRZ-NRFANRHFSA-N 0 1 347.462 4.344 20 10 EICDMN CC[N@H+](Cc1cc2oc3ccccc3c2cc1[O-])C[C@H]1CCOC1 ZINC000738077960 1045032921 /nfs/dbraw/zinc/03/29/21/1045032921.db2.gz YRMIJIWSNPVAEW-CQSZACIVSA-N 0 1 325.408 4.150 20 10 EICDMN CCN(CC)c1ccc(CN(C)[C@@H](C)c2ccc(C(=O)OC)o2)cc1 ZINC000738299844 1045055974 /nfs/dbraw/zinc/05/59/74/1045055974.db2.gz RDXPNMDWVYKMNP-HNNXBMFYSA-N 0 1 344.455 4.105 20 10 EICDMN CCN(Cc1cnc([C@@H]2CCCO2)s1)Cc1ccc(N(C)C)cc1 ZINC000768131918 1045722845 /nfs/dbraw/zinc/72/28/45/1045722845.db2.gz BIHZGOUHYIWBFN-SFHVURJKSA-N 0 1 345.512 4.083 20 10 EICDMN COc1ccc(OC2CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)cc1 ZINC000768366586 1045801017 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FC(F)(F)c1ccc2nc(-c3ccc(N4CCOCC4)cc3)[nH]c2c1 ZINC000916855214 1046394954 /nfs/dbraw/zinc/39/49/54/1046394954.db2.gz ZFAQNWTZZMNKNG-UHFFFAOYSA-N 0 1 347.340 4.085 20 10 EICDMN CCN(CC)c1ccc(CNCc2ccnc(SC)c2)cc1F ZINC000771892411 1046520965 /nfs/dbraw/zinc/52/09/65/1046520965.db2.gz AFNIWWDXUVKBST-UHFFFAOYSA-N 0 1 333.476 4.079 20 10 EICDMN CN(Cc1c[nH]nc1C(C)(C)C)Cc1ccc(N2CCCCC2)cc1 ZINC000771935429 1046529986 /nfs/dbraw/zinc/52/99/86/1046529986.db2.gz SAZNQIPMELIBDD-UHFFFAOYSA-N 0 1 340.515 4.330 20 10 EICDMN Cc1cscc1C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000786925648 1046886175 /nfs/dbraw/zinc/88/61/75/1046886175.db2.gz FVOBAEITXOLTLS-SNVBAGLBSA-N 0 1 326.259 4.375 20 10 EICDMN CC[C@H](N[C@@H](C)c1cc(Br)c(F)cc1O)C(F)(F)F ZINC000786973695 1046886440 /nfs/dbraw/zinc/88/64/40/1046886440.db2.gz JKPDKHJGRGZNKO-KGFZYKRKSA-N 0 1 344.146 4.285 20 10 EICDMN CCN(Cc1cnc(-c2ccco2)s1)Cc1ccc(N(C)C)cc1 ZINC000787050682 1046901808 /nfs/dbraw/zinc/90/18/08/1046901808.db2.gz VGBWMHRVWVJUAN-UHFFFAOYSA-N 0 1 341.480 4.491 20 10 EICDMN CN(C)c1ccc(CN(Cc2scnc2C2CC2)C2CC2)cc1 ZINC000787086737 1046906362 /nfs/dbraw/zinc/90/63/62/1046906362.db2.gz LLVGVAOUKBFZCK-UHFFFAOYSA-N 0 1 327.497 4.251 20 10 EICDMN COc1ccc(N2CCCN(Cc3sccc3Cl)CC2)cc1 ZINC000787130230 1046913971 /nfs/dbraw/zinc/91/39/71/1046913971.db2.gz YTHJAHHGRIYXTM-UHFFFAOYSA-N 0 1 336.888 4.122 20 10 EICDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000917616514 1047027578 /nfs/dbraw/zinc/02/75/78/1047027578.db2.gz NPQMVBIRLRADOA-GOSISDBHSA-N 0 1 336.410 4.287 20 10 EICDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000917616514 1047027596 /nfs/dbraw/zinc/02/75/96/1047027596.db2.gz NPQMVBIRLRADOA-GOSISDBHSA-N 0 1 336.410 4.287 20 10 EICDMN CCCCN1CCC([NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000788573380 1047235503 /nfs/dbraw/zinc/23/55/03/1047235503.db2.gz POCVDMBYFZQEHN-CYBMUJFWSA-N 0 1 344.421 4.326 20 10 EICDMN Cc1ccc(CN(C)Cc2ccc(OCc3ccccc3)cc2O)nc1 ZINC000789595826 1047446255 /nfs/dbraw/zinc/44/62/55/1047446255.db2.gz XDULBHDNMZZZPM-UHFFFAOYSA-N 0 1 348.446 4.307 20 10 EICDMN Cc1cc(F)ccc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840172 1047511530 /nfs/dbraw/zinc/51/15/30/1047511530.db2.gz SHGVRJPDCCNBAI-UHFFFAOYSA-N 0 1 328.170 4.077 20 10 EICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccc(F)c1Cl ZINC000807835551 1047519829 /nfs/dbraw/zinc/51/98/29/1047519829.db2.gz HBPOREFMUYVRBY-UHFFFAOYSA-N 0 1 348.588 4.422 20 10 EICDMN Cc1oc(C(C)C)nc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837496 1047523846 /nfs/dbraw/zinc/52/38/46/1047523846.db2.gz RYFGDBKHMDFHHC-UHFFFAOYSA-N 0 1 343.210 4.049 20 10 EICDMN C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)c1cccc(F)c1 ZINC000807838660 1047524097 /nfs/dbraw/zinc/52/40/97/1047524097.db2.gz NCOVXAPURNWMDD-VIFPVBQESA-N 0 1 342.197 4.258 20 10 EICDMN CCCCS[C@@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837131 1047524403 /nfs/dbraw/zinc/52/44/03/1047524403.db2.gz CFOREIUWVDWNIF-VIFPVBQESA-N 0 1 336.284 4.237 20 10 EICDMN Oc1ccc2ccncc2c1CN1CCCn2c(cc3ccccc32)C1 ZINC000808221743 1047629117 /nfs/dbraw/zinc/62/91/17/1047629117.db2.gz IKYICXDNERLEPF-UHFFFAOYSA-N 0 1 343.430 4.301 20 10 EICDMN Cc1cc(C)c(O)c(CN2CCCC[C@H]2c2nnc(C3CCC3)o2)c1 ZINC000808241208 1047852746 /nfs/dbraw/zinc/85/27/46/1047852746.db2.gz QREPHZZYGWZKIG-KRWDZBQOSA-N 0 1 341.455 4.387 20 10 EICDMN CN(C)c1ccc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)c(C(F)(F)F)c1 ZINC000814169017 1047872319 /nfs/dbraw/zinc/87/23/19/1047872319.db2.gz BEFIZBYIDBRSRU-LSDHHAIUSA-N 0 1 348.359 4.249 20 10 EICDMN CC(C)(C)c1cc(CN[C@H]2CCn3ccnc32)c(O)c(C(C)(C)C)c1 ZINC000824526627 1047880374 /nfs/dbraw/zinc/88/03/74/1047880374.db2.gz NXSPCSDFCIGVRZ-KRWDZBQOSA-N 0 1 341.499 4.418 20 10 EICDMN CC[C@@H]([NH2+]CC1(CF)CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000824795363 1047966674 /nfs/dbraw/zinc/96/66/74/1047966674.db2.gz WNDNHQJARRQBFB-CQSZACIVSA-N 0 1 349.368 4.218 20 10 EICDMN CC[C@H](N[C@@H]1C[C@H](C)n2ccnc21)c1ccc(C(F)(F)F)cc1O ZINC000825017096 1048019097 /nfs/dbraw/zinc/01/90/97/1048019097.db2.gz LLPMJEOAQGTFMZ-LEWSCRJBSA-N 0 1 339.361 4.354 20 10 EICDMN COc1ccc(OC)c([C@H](C)[NH2+]Cc2cc(Cl)c(C)cc2[O-])c1 ZINC000825058948 1048026171 /nfs/dbraw/zinc/02/61/71/1048026171.db2.gz ORJNPPVMDOZTKD-LBPRGKRZSA-N 0 1 335.831 4.222 20 10 EICDMN CCc1nc(CN[C@@H](CC)c2ccc(C(F)(F)F)cc2O)co1 ZINC000825061585 1048029213 /nfs/dbraw/zinc/02/92/13/1048029213.db2.gz ILANHATZVQMIIQ-ZDUSSCGKSA-N 0 1 328.334 4.202 20 10 EICDMN CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cc(Cl)c(C)cc2[O-])c1 ZINC000825084266 1048031292 /nfs/dbraw/zinc/03/12/92/1048031292.db2.gz MTKOJYRISVXURN-LBPRGKRZSA-N 0 1 332.831 4.163 20 10 EICDMN Cc1cc(Cl)cc([C@@H](C)NCc2ccn(-c3ccccc3)n2)c1O ZINC000808684964 1048036607 /nfs/dbraw/zinc/03/66/07/1048036607.db2.gz QFHRMGFOCMGKBQ-CQSZACIVSA-N 0 1 341.842 4.391 20 10 EICDMN CC[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000825143731 1048043500 /nfs/dbraw/zinc/04/35/00/1048043500.db2.gz IHTQFAYJOIUPPH-IUODEOHRSA-N 0 1 331.378 4.268 20 10 EICDMN CC[C@H]([NH2+]Cc1ccc(Br)cc1[O-])c1c(C)noc1C ZINC000825385159 1048084103 /nfs/dbraw/zinc/08/41/03/1048084103.db2.gz STSFGCABRSHFFP-ZDUSSCGKSA-N 0 1 339.233 4.000 20 10 EICDMN C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825510305 1048107515 /nfs/dbraw/zinc/10/75/15/1048107515.db2.gz ZYIFQARBCIDNJZ-BLLLJJGKSA-N 0 1 347.256 4.133 20 10 EICDMN C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825510305 1048107520 /nfs/dbraw/zinc/10/75/20/1048107520.db2.gz ZYIFQARBCIDNJZ-BLLLJJGKSA-N 0 1 347.256 4.133 20 10 EICDMN C[C@H]1C[C@H](c2cccnc2)N(Cc2ccc(Br)cc2O)C1 ZINC000825510305 1048107522 /nfs/dbraw/zinc/10/75/22/1048107522.db2.gz ZYIFQARBCIDNJZ-BLLLJJGKSA-N 0 1 347.256 4.133 20 10 EICDMN Cc1ccccc1[C@H](O)C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000809703936 1048487749 /nfs/dbraw/zinc/48/77/49/1048487749.db2.gz WJTICGQNCURNFJ-HXUWFJFHSA-N 0 1 345.870 4.300 20 10 EICDMN [O-]c1ccc(Br)cc1C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000809713412 1048491450 /nfs/dbraw/zinc/49/14/50/1048491450.db2.gz PJQVDPLHUCSUDG-UPHRSURJSA-N 0 1 336.204 4.097 20 10 EICDMN CN(C)c1ccc(CN(Cc2ccccn2)C2CC2)c(C(F)(F)F)c1 ZINC000809762892 1048525110 /nfs/dbraw/zinc/52/51/10/1048525110.db2.gz DANBEQYCAJMOEC-UHFFFAOYSA-N 0 1 349.400 4.331 20 10 EICDMN CCN(CC)c1ccc(CN(Cc2cccnc2)C2CC2)cc1F ZINC000809762995 1048525154 /nfs/dbraw/zinc/52/51/54/1048525154.db2.gz GURHQUBVBIXZGB-UHFFFAOYSA-N 0 1 327.447 4.232 20 10 EICDMN CCCN(CCC)c1ccc(CNCc2ncccc2N(C)C)cc1 ZINC000810168105 1048652293 /nfs/dbraw/zinc/65/22/93/1048652293.db2.gz UNXJVQREHJYHSO-UHFFFAOYSA-N 0 1 340.515 4.064 20 10 EICDMN CC[C@@H]([NH2+][C@H](C)c1cn(C)nc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215215 1048684039 /nfs/dbraw/zinc/68/40/39/1048684039.db2.gz AMJBNRHINMGZKE-MEBBXXQBSA-N 0 1 341.377 4.255 20 10 EICDMN CC[C@H]([NH2+]CCc1ccc(C)nc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218147 1048686081 /nfs/dbraw/zinc/68/60/81/1048686081.db2.gz OYHOICJWXJWFEK-INIZCTEOSA-N 0 1 338.373 4.398 20 10 EICDMN CC[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810221630 1048690441 /nfs/dbraw/zinc/69/04/41/1048690441.db2.gz ILPRLLHKLYMCAA-RBOXIYTFSA-N 0 1 342.405 4.077 20 10 EICDMN CC[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810221627 1048690885 /nfs/dbraw/zinc/69/08/85/1048690885.db2.gz ILPRLLHKLYMCAA-FFSVYQOJSA-N 0 1 342.405 4.077 20 10 EICDMN CC[C@H]([NH2+]Cc1ccc(F)cn1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223958 1048692497 /nfs/dbraw/zinc/69/24/97/1048692497.db2.gz PLWDRNUOHWRVFB-AWEZNQCLSA-N 0 1 328.309 4.186 20 10 EICDMN CC[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228049 1048695453 /nfs/dbraw/zinc/69/54/53/1048695453.db2.gz QHKLNYCPIJUIRP-TZMCWYRMSA-N 0 1 331.378 4.409 20 10 EICDMN CC[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228048 1048696345 /nfs/dbraw/zinc/69/63/45/1048696345.db2.gz QHKLNYCPIJUIRP-OCCSQVGLSA-N 0 1 331.378 4.409 20 10 EICDMN CC[C@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237381 1048720190 /nfs/dbraw/zinc/72/01/90/1048720190.db2.gz GUWCMJIVGUCZPD-ZFWWWQNUSA-N 0 1 331.378 4.003 20 10 EICDMN Cc1cc(CN(C)Cc2ccccc2O)c(F)cc1Br ZINC001144591198 1048739749 /nfs/dbraw/zinc/73/97/49/1048739749.db2.gz UUDHGERAXNLCDO-UHFFFAOYSA-N 0 1 338.220 4.234 20 10 EICDMN COc1cc(CN2CCc3sccc3C2)c(O)c(C(C)(C)C)c1 ZINC000217961108 1048773432 /nfs/dbraw/zinc/77/34/32/1048773432.db2.gz LAOONJUISKQIEA-UHFFFAOYSA-N 0 1 331.481 4.318 20 10 EICDMN C[C@@H](O)[C@@H](NCc1ccc(N2CCCCC2)cc1)c1ccccc1F ZINC000846016874 1048784559 /nfs/dbraw/zinc/78/45/59/1048784559.db2.gz KEVLLNZUBGAVMX-IIBYNOLFSA-N 0 1 342.458 4.028 20 10 EICDMN CN(C)c1ccc(/C=C/CN2CCC3(CC2)C(F)(F)C3(F)F)cc1 ZINC000846016688 1048785523 /nfs/dbraw/zinc/78/55/23/1048785523.db2.gz ZPMZQZDFTRRTBO-ONEGZZNKSA-N 0 1 342.380 4.132 20 10 EICDMN C[C@]1(c2ccccc2)C[N@H+](Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816509228 1048823364 /nfs/dbraw/zinc/82/33/64/1048823364.db2.gz IRSOUASYKWGITH-JOCHJYFZSA-N 0 1 333.431 4.293 20 10 EICDMN C[C@]1(c2ccccc2)C[N@@H+](Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816509228 1048823371 /nfs/dbraw/zinc/82/33/71/1048823371.db2.gz IRSOUASYKWGITH-JOCHJYFZSA-N 0 1 333.431 4.293 20 10 EICDMN C[C@H]1CN(Cc2cc(Cl)c(F)cc2O)C[C@H](c2ccsc2)O1 ZINC000816516936 1048823873 /nfs/dbraw/zinc/82/38/73/1048823873.db2.gz XOOVJZOGGPXMEM-MGPLVRAMSA-N 0 1 341.835 4.208 20 10 EICDMN C[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)C[C@@H](c2ccsc2)O1 ZINC000816516935 1048824169 /nfs/dbraw/zinc/82/41/69/1048824169.db2.gz XOOVJZOGGPXMEM-HWPZZCPQSA-N 0 1 341.835 4.208 20 10 EICDMN COc1cc2c(cc1C[NH2+]Cc1ccc3ccccc3c1[O-])O[C@H](C)C2 ZINC000816534523 1048825177 /nfs/dbraw/zinc/82/51/77/1048825177.db2.gz LOYKEYKAWDRAGD-CQSZACIVSA-N 0 1 349.430 4.167 20 10 EICDMN [O-]c1c(C[NH2+]CCc2cnn(-c3ccccc3)c2)ccc2ccccc21 ZINC000816534121 1048825187 /nfs/dbraw/zinc/82/51/87/1048825187.db2.gz XIXXMJMFUSJUAM-UHFFFAOYSA-N 0 1 343.430 4.063 20 10 EICDMN COc1cccc([C@@H](C)N[C@@H](C)c2nc(C(F)(F)F)cs2)c1O ZINC000846167118 1048827198 /nfs/dbraw/zinc/82/71/98/1048827198.db2.gz GSEXLCCRVJGVAJ-BDAKNGLRSA-N 0 1 346.374 4.288 20 10 EICDMN COc1ccc(CC[NH2+]Cc2ccc3ccccc3c2[O-])cc1F ZINC000816546718 1048828774 /nfs/dbraw/zinc/82/87/74/1048828774.db2.gz UESAOVHQPYAXIV-UHFFFAOYSA-N 0 1 325.383 4.025 20 10 EICDMN Oc1c(CNCc2c(F)cc(F)c(F)c2F)ccc2ccccc21 ZINC000816594256 1048832240 /nfs/dbraw/zinc/83/22/40/1048832240.db2.gz VUXIBUVGVHSVPG-UHFFFAOYSA-N 0 1 335.300 4.392 20 10 EICDMN C[C@H](C[C@H](O)c1cccs1)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816559245 1048835880 /nfs/dbraw/zinc/83/58/80/1048835880.db2.gz COZCXWKBINWRNK-DYVFJYSZSA-N 0 1 327.449 4.209 20 10 EICDMN C[C@@](O)(C[NH2+]Cc1ccc2ccccc2c1[O-])c1cccc(Cl)c1 ZINC000816570251 1048837112 /nfs/dbraw/zinc/83/71/12/1048837112.db2.gz NXEHLXOEGDOMNE-HXUWFJFHSA-N 0 1 341.838 4.196 20 10 EICDMN C[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000846187075 1048837246 /nfs/dbraw/zinc/83/72/46/1048837246.db2.gz HXYDTTKVLJCLIV-VLIAUNLRSA-N 0 1 325.452 4.401 20 10 EICDMN C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816573759 1048838462 /nfs/dbraw/zinc/83/84/62/1048838462.db2.gz JWMLIZPMYCLYOI-PSASIEDQSA-N 0 1 325.733 4.348 20 10 EICDMN C[C@]1(C[NH2+]Cc2ccc3ccccc3c2[O-])OCCc2sccc21 ZINC000816614722 1048844890 /nfs/dbraw/zinc/84/48/90/1048844890.db2.gz DJIMBTWKXJBSBI-HXUWFJFHSA-N 0 1 339.460 4.185 20 10 EICDMN COc1cc(F)c([C@H](C)NCc2ccc(N(C)C)c(C)c2)cc1OC ZINC000772994801 1049358527 /nfs/dbraw/zinc/35/85/27/1049358527.db2.gz BNHXQDHFRXHWCL-AWEZNQCLSA-N 0 1 346.446 4.068 20 10 EICDMN [O-]c1ccc2ccncc2c1C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000747788080 1049439915 /nfs/dbraw/zinc/43/99/15/1049439915.db2.gz AQLKJQQQADGUQU-LJQANCHMSA-N 0 1 348.446 4.122 20 10 EICDMN [O-]c1ccc2ccncc2c1C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000747788080 1049439930 /nfs/dbraw/zinc/43/99/30/1049439930.db2.gz AQLKJQQQADGUQU-LJQANCHMSA-N 0 1 348.446 4.122 20 10 EICDMN CCOCc1cc(CNCc2ccc([C@@H]3C[C@H]3C)o2)ccc1OC ZINC000747853758 1049769617 /nfs/dbraw/zinc/76/96/17/1049769617.db2.gz GTJJBULAXASBDP-RDTXWAMCSA-N 0 1 329.440 4.238 20 10 EICDMN CCCc1nc(C)c(CNCc2ccc(N3CCCCC3)cc2)o1 ZINC000813792443 1049817535 /nfs/dbraw/zinc/81/75/35/1049817535.db2.gz PNZHZHIQEAQOFN-UHFFFAOYSA-N 0 1 327.472 4.216 20 10 EICDMN CC(C)([NH2+]Cc1cc(Br)ccc1[O-])c1ccccc1F ZINC000813791486 1049817729 /nfs/dbraw/zinc/81/77/29/1049817729.db2.gz BTNNGDARJBDZNL-UHFFFAOYSA-N 0 1 338.220 4.319 20 10 EICDMN Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1c([O-])cccc1Br ZINC001177650833 1050278111 /nfs/dbraw/zinc/27/81/11/1050278111.db2.gz OUQZPRPUBRLXIP-INIZCTEOSA-N 0 1 332.241 4.240 20 10 EICDMN CCN(CC)c1ccc(CNCc2cccc(Cl)c2N)cc1F ZINC001177795420 1050303844 /nfs/dbraw/zinc/30/38/44/1050303844.db2.gz SFDWXEHKFXTBIK-UHFFFAOYSA-N 0 1 335.854 4.197 20 10 EICDMN CCc1ccc2c(c1)[C@@H](NCc1ccc(N(C)C)c(F)c1)CCO2 ZINC001178445425 1050460692 /nfs/dbraw/zinc/46/06/92/1050460692.db2.gz YUQOQVUNUSJEHT-SFHVURJKSA-N 0 1 328.431 4.068 20 10 EICDMN CN(C)Cc1ccccc1Nc1ccccc1C(=O)c1ccncc1 ZINC001173931032 1050652402 /nfs/dbraw/zinc/65/24/02/1050652402.db2.gz DBKDQMKGAUOXSH-UHFFFAOYSA-N 0 1 331.419 4.118 20 10 EICDMN O=C(C[C@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1[O-])c1ccc(F)cc1 ZINC001179925147 1050819100 /nfs/dbraw/zinc/81/91/00/1050819100.db2.gz NKIWSXDCFJLLLL-MRXNPFEDSA-N 0 1 349.352 4.047 20 10 EICDMN COc1ccc(-n2c(C)cc(CN(C)Cc3ccc(C)nc3)c2C)cc1 ZINC001179920298 1050835722 /nfs/dbraw/zinc/83/57/22/1050835722.db2.gz SPCQXIYPEWCINX-UHFFFAOYSA-N 0 1 349.478 4.438 20 10 EICDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC001180557832 1051034094 /nfs/dbraw/zinc/03/40/94/1051034094.db2.gz HIRCLMFZFSBHQQ-GFCCVEGCSA-N 0 1 344.361 4.191 20 10 EICDMN CN(C)c1ccc(CN(C)Cc2cc(Cl)cc(Cl)c2N)cc1 ZINC001204145952 1051129281 /nfs/dbraw/zinc/12/92/81/1051129281.db2.gz PVGLEMCQUWMUGH-UHFFFAOYSA-N 0 1 338.282 4.274 20 10 EICDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC001182355751 1051522127 /nfs/dbraw/zinc/52/21/27/1051522127.db2.gz FWWASZRFQOVQMD-LLVKDONJSA-N 0 1 344.680 4.430 20 10 EICDMN CC[C@@H]([NH2+]CCc1ccc(OC)c(OC)c1)c1cc(Cl)ccc1[O-] ZINC000775483215 1051550642 /nfs/dbraw/zinc/55/06/42/1051550642.db2.gz PJEJCCAKGXQQAS-MRXNPFEDSA-N 0 1 349.858 4.346 20 10 EICDMN CC[C@@H]([NH2+]CCOc1ccccc1OC)c1cc(Cl)ccc1[O-] ZINC000775483620 1051555020 /nfs/dbraw/zinc/55/50/20/1051555020.db2.gz ZWMOKAHRNBDRGG-OAHLLOKOSA-N 0 1 335.831 4.174 20 10 EICDMN CCNC(=O)c1ccc(C[NH2+][C@H](CC)c2cc(Cl)ccc2[O-])cc1 ZINC000775488663 1051570415 /nfs/dbraw/zinc/57/04/15/1051570415.db2.gz QSQNVCBDRNXLFW-QGZVFWFLSA-N 0 1 346.858 4.036 20 10 EICDMN CCNC(=O)c1cccc(C[NH2+][C@H](CC)c2cc(Cl)ccc2[O-])c1 ZINC000775498432 1051622177 /nfs/dbraw/zinc/62/21/77/1051622177.db2.gz ZCYVAPUKVURCOX-QGZVFWFLSA-N 0 1 346.858 4.036 20 10 EICDMN CC[C@@H]([NH2+]Cc1c(C)cc(C)nc1OC)c1cc(Cl)ccc1[O-] ZINC000775499644 1051623987 /nfs/dbraw/zinc/62/39/87/1051623987.db2.gz STPZDXUVSWPGFZ-MRXNPFEDSA-N 0 1 334.847 4.307 20 10 EICDMN CC[C@H]([NH2+]Cc1c(C)cc(C)nc1OC)c1cc(Cl)ccc1[O-] ZINC000775499642 1051624531 /nfs/dbraw/zinc/62/45/31/1051624531.db2.gz STPZDXUVSWPGFZ-INIZCTEOSA-N 0 1 334.847 4.307 20 10 EICDMN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC001182555346 1051628594 /nfs/dbraw/zinc/62/85/94/1051628594.db2.gz PEHIULPEJDCRDQ-AWEZNQCLSA-N 0 1 344.817 4.313 20 10 EICDMN CC[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cc(Cl)ccc1[O-] ZINC000775510024 1051642064 /nfs/dbraw/zinc/64/20/64/1051642064.db2.gz UIXDBBOLOAMTMQ-ZBFHGGJFSA-N 0 1 325.861 4.056 20 10 EICDMN Oc1ccc(F)cc1CNCc1cccc(Oc2ccc(F)cc2)n1 ZINC001182752590 1051683661 /nfs/dbraw/zinc/68/36/61/1051683661.db2.gz AIOMFGVMMHEFFD-UHFFFAOYSA-N 0 1 342.345 4.148 20 10 EICDMN CC[C@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000775523205 1051691348 /nfs/dbraw/zinc/69/13/48/1051691348.db2.gz FCKXQNIDYHOQMB-ZWKOTPCHSA-N 0 1 330.859 4.273 20 10 EICDMN CC[C@@H]([NH2+]CCSCC(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000775526258 1051712832 /nfs/dbraw/zinc/71/28/32/1051712832.db2.gz PTFVYABSANKUJK-LLVKDONJSA-N 0 1 327.799 4.382 20 10 EICDMN Cc1[nH]nc2cc(-n3c(=N)ccc(N=Nc4ccccc4)c3N)ccc12 ZINC001175656504 1051714187 /nfs/dbraw/zinc/71/41/87/1051714187.db2.gz GEULBHRFMLCFRG-XKCNPXHNSA-N 0 1 343.394 4.139 20 10 EICDMN Cc1[nH]nc2ccc(Nc3ccccc3C(=O)c3ccncc3)cc12 ZINC001175702947 1051724353 /nfs/dbraw/zinc/72/43/53/1051724353.db2.gz UUTUGPHCQWNSMF-UHFFFAOYSA-N 0 1 328.375 4.241 20 10 EICDMN CC[C@H]([NH2+]C[C@@H]1CCC[C@H]1OC)c1cc(Br)ccc1[O-] ZINC000775532259 1051748235 /nfs/dbraw/zinc/74/82/35/1051748235.db2.gz ULCAQVMAGQQVJO-HZUKXOBISA-N 0 1 342.277 4.011 20 10 EICDMN CC[C@@H](Nc1cnn(-c2ccncc2)c1)c1cc(Cl)ccc1O ZINC000775541881 1051792370 /nfs/dbraw/zinc/79/23/70/1051792370.db2.gz HPWACQILLUMFBP-MRXNPFEDSA-N 0 1 328.803 4.190 20 10 EICDMN CC[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775551013 1051818921 /nfs/dbraw/zinc/81/89/21/1051818921.db2.gz GDCFYQRLYBFBOR-AEFFLSMTSA-N 0 1 333.859 4.080 20 10 EICDMN Cc1cc(-n2c(=N)ccc(/N=N/c3ccccc3)c2N)cc(C)c1N ZINC001175932299 1051847773 /nfs/dbraw/zinc/84/77/73/1051847773.db2.gz QCJMWXXNBJZSKA-GEQPAYBISA-N 0 1 332.411 4.153 20 10 EICDMN Nc1ccc(CCc2ccc(Nc3ccc4nn[nH]c4c3)cc2)cc1 ZINC001176002422 1051868642 /nfs/dbraw/zinc/86/86/42/1051868642.db2.gz MWECAUFAMWMBON-UHFFFAOYSA-N 0 1 329.407 4.069 20 10 EICDMN Nc1ccc(CCc2ccc(Nc3ccc4n[nH]nc4c3)cc2)cc1 ZINC001176002422 1051868644 /nfs/dbraw/zinc/86/86/44/1051868644.db2.gz MWECAUFAMWMBON-UHFFFAOYSA-N 0 1 329.407 4.069 20 10 EICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001203580072 1051935038 /nfs/dbraw/zinc/93/50/38/1051935038.db2.gz KPDHCCQCRGMVEY-OAHLLOKOSA-N 0 1 338.234 4.352 20 10 EICDMN CC[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)c1ccc(C)cc1C ZINC001193633634 1051957828 /nfs/dbraw/zinc/95/78/28/1051957828.db2.gz CGSALJFUQOZWFQ-OAHLLOKOSA-N 0 1 333.815 4.249 20 10 EICDMN O=C(N[C@H](c1ccccc1)C1CCCC1)c1cc(O)c(O)c(Cl)c1 ZINC001193633808 1051958794 /nfs/dbraw/zinc/95/87/94/1051958794.db2.gz HLUPJFXUIPANIE-QGZVFWFLSA-N 0 1 345.826 4.413 20 10 EICDMN Cc1c(NCc2cc(Cl)cc(Cl)c2O)cnn1CC(C)C ZINC000774823978 1052174564 /nfs/dbraw/zinc/17/45/64/1052174564.db2.gz QJZWASXJQMNWIY-UHFFFAOYSA-N 0 1 328.243 4.472 20 10 EICDMN CCc1cnc(CC[NH2+][C@H](C)c2ccc3ccccc3c2[O-])s1 ZINC000185583579 1052651273 /nfs/dbraw/zinc/65/12/73/1052651273.db2.gz FLBKHEIJBZZJAF-CYBMUJFWSA-N 0 1 326.465 4.458 20 10 EICDMN C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])[C@H](O)Cc1ccccc1 ZINC000186147683 1052950259 /nfs/dbraw/zinc/95/02/59/1052950259.db2.gz UWJLZYHIUJYBOS-GCKMJXCFSA-N 0 1 335.447 4.188 20 10 EICDMN COc1cc(CNCc2ccc(Cl)cn2)c(O)c(C(C)(C)C)c1 ZINC000850237058 1053095655 /nfs/dbraw/zinc/09/56/55/1053095655.db2.gz XHAGVFVMFBKMTI-UHFFFAOYSA-N 0 1 334.847 4.037 20 10 EICDMN CC[C@@H]([NH2+]CCC1CC(OC)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850483572 1053256761 /nfs/dbraw/zinc/25/67/61/1053256761.db2.gz YWIRPOUXMJZSDJ-ABIUDSBCSA-N 0 1 331.378 4.267 20 10 EICDMN Cc1cc(Br)cc([C@@H](C)N[C@H](C)c2cscn2)c1O ZINC000850511373 1053270324 /nfs/dbraw/zinc/27/03/24/1053270324.db2.gz DCCNUXXVHQHKCL-NXEZZACHSA-N 0 1 341.274 4.331 20 10 EICDMN COC[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])c1cccc(OC)c1 ZINC000850512914 1053271006 /nfs/dbraw/zinc/27/10/06/1053271006.db2.gz BWQRGKSAPRDLGF-SJKOYZFVSA-N 0 1 335.831 4.093 20 10 EICDMN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c1[O-] ZINC000850539759 1053300618 /nfs/dbraw/zinc/30/06/18/1053300618.db2.gz GBNXMLFSKBYHOU-JCKWVBRZSA-N 0 1 347.890 4.150 20 10 EICDMN CC(C)[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000850555209 1053309880 /nfs/dbraw/zinc/30/98/80/1053309880.db2.gz NKBYHGCASAKIGA-MJXNMMHHSA-N 0 1 333.859 4.454 20 10 EICDMN Oc1c(F)cc(Cl)cc1CN1CCc2[nH]c3ccccc3c2C1 ZINC000775645754 1053321324 /nfs/dbraw/zinc/32/13/24/1053321324.db2.gz QCOHTZMWPPAMOJ-UHFFFAOYSA-N 0 1 330.790 4.224 20 10 EICDMN CC[N@@H+](Cc1cccc(Cl)c1[O-])Cc1ccc(OC)cc1OC ZINC000775654347 1053399207 /nfs/dbraw/zinc/39/92/07/1053399207.db2.gz ZTZMCQUYOSPVMW-UHFFFAOYSA-N 0 1 335.831 4.085 20 10 EICDMN CC[C@@H](NCc1c(F)c(F)cc(F)c1F)c1ccc(C)cc1O ZINC000794813048 1053420588 /nfs/dbraw/zinc/42/05/88/1053420588.db2.gz BADVTKCMJPSQGV-CQSZACIVSA-N 0 1 327.321 4.498 20 10 EICDMN CCCCOc1ncccc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000765334469 1053507136 /nfs/dbraw/zinc/50/71/36/1053507136.db2.gz YSUURMSAWFBNQV-INIZCTEOSA-N 0 1 327.472 4.177 20 10 EICDMN CC1CCN(c2ccc(CNCc3cnc(Cl)c(F)c3)cc2)CC1 ZINC000865456352 1053511662 /nfs/dbraw/zinc/51/16/62/1053511662.db2.gz LYKBPPZMPDIUDQ-UHFFFAOYSA-N 0 1 347.865 4.400 20 10 EICDMN C[C@H](NCc1cccc(F)c1OC(F)F)c1ccc(N(C)C)cc1 ZINC000851949654 1053537563 /nfs/dbraw/zinc/53/75/63/1053537563.db2.gz HLHTXTFHELIGOW-LBPRGKRZSA-N 0 1 338.373 4.344 20 10 EICDMN C[C@@H](N[C@@H]1CCc2ccccc2-n2ccnc21)c1cc(F)ccc1O ZINC000853240509 1053657379 /nfs/dbraw/zinc/65/73/79/1053657379.db2.gz HNMFNBJNGZHANV-CXAGYDPISA-N 0 1 337.398 4.055 20 10 EICDMN CN(Cc1cc(-c2ccc(Cl)cc2)no1)Cc1ccccc1O ZINC000111235483 1053666043 /nfs/dbraw/zinc/66/60/43/1053666043.db2.gz FIBLGGBPGBQBJR-UHFFFAOYSA-N 0 1 328.799 4.333 20 10 EICDMN C[C@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)c1cc(Cl)ccc1[O-] ZINC000866421887 1053724629 /nfs/dbraw/zinc/72/46/29/1053724629.db2.gz DEBGRTYKNXYWDO-ZDUSSCGKSA-N 0 1 347.842 4.116 20 10 EICDMN COc1ccc2nc(CN[C@@H](C)c3ccc(N(C)C)cc3)sc2c1 ZINC000775836400 1054118138 /nfs/dbraw/zinc/11/81/38/1054118138.db2.gz GOTUCKCJTKKTBE-ZDUSSCGKSA-N 0 1 341.480 4.222 20 10 EICDMN CCOc1ccc(C(C)=O)cc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775834220 1054121255 /nfs/dbraw/zinc/12/12/55/1054121255.db2.gz LXFPXGYRZBGEPG-HNNXBMFYSA-N 0 1 340.467 4.205 20 10 EICDMN O=C(Nc1cccc(N2CCCCCC2)c1)c1c(O)cccc1F ZINC000857453405 1054251398 /nfs/dbraw/zinc/25/13/98/1054251398.db2.gz LJOAPNHMNCOOCM-UHFFFAOYSA-N 0 1 328.387 4.164 20 10 EICDMN Cc1nccnc1[C@H](C)N[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000872132138 1054408052 /nfs/dbraw/zinc/40/80/52/1054408052.db2.gz BZZAUGPGUIMIOO-ZBFHGGJFSA-N 0 1 342.462 4.326 20 10 EICDMN COc1ccc([C@H](C)NCc2cc(F)c(N(C)C)cc2F)cc1F ZINC000858090340 1054414848 /nfs/dbraw/zinc/41/48/48/1054414848.db2.gz MTPISAQSJKDQGX-NSHDSACASA-N 0 1 338.373 4.029 20 10 EICDMN CO[C@@H](CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1)C(F)(F)F ZINC000777012947 1054452793 /nfs/dbraw/zinc/45/27/93/1054452793.db2.gz SNOYSOACHSPEAS-LRDDRELGSA-N 0 1 348.384 4.044 20 10 EICDMN CC[C@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1cc(Cl)ccc1[O-] ZINC000858453014 1054493492 /nfs/dbraw/zinc/49/34/92/1054493492.db2.gz RMKDUNUZRYNORD-LBPRGKRZSA-N 0 1 347.768 4.039 20 10 EICDMN CCN(CC)c1ccc(CNCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC001201424897 1054797239 /nfs/dbraw/zinc/79/72/39/1054797239.db2.gz HZHWAYVTEQQWSQ-UHFFFAOYSA-N 0 1 347.846 4.384 20 10 EICDMN Cc1nc(-c2ccc(NCc3cc(Cl)cc(Cl)c3O)cc2)n[nH]1 ZINC001201529066 1054845210 /nfs/dbraw/zinc/84/52/10/1054845210.db2.gz BQBBDRBGXDUOQE-UHFFFAOYSA-N 0 1 349.221 4.405 20 10 EICDMN COc1ccc(OC)c(NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000021507310 1054867566 /nfs/dbraw/zinc/86/75/66/1054867566.db2.gz YGXFXBVSDNSXHH-UHFFFAOYSA-N 0 1 328.195 4.328 20 10 EICDMN Cc1ccc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(O)c1 ZINC000876630905 1054942238 /nfs/dbraw/zinc/94/22/38/1054942238.db2.gz NJBSDOKHAFLKPR-VXGBXAGGSA-N 0 1 341.295 4.263 20 10 EICDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000776231650 1054976682 /nfs/dbraw/zinc/97/66/82/1054976682.db2.gz LGRMIIORLLMYCT-UHFFFAOYSA-N 0 1 330.840 4.459 20 10 EICDMN Cc1cccc(O)c1CNCc1csc(CCc2ccccc2)n1 ZINC000877159012 1055029457 /nfs/dbraw/zinc/02/94/57/1055029457.db2.gz QOAPTJTVOKPATR-UHFFFAOYSA-N 0 1 338.476 4.232 20 10 EICDMN Oc1c(Cl)cc(Cl)cc1CNc1ccc(OC(F)F)nc1 ZINC001202134900 1055046624 /nfs/dbraw/zinc/04/66/24/1055046624.db2.gz LEOHWTDRDQRFFG-UHFFFAOYSA-N 0 1 335.137 4.308 20 10 EICDMN Cc1cc([O-])c(C[NH2+][C@H](C)[C@H]2OCCc3sccc32)cc1Cl ZINC000825987291 1055099837 /nfs/dbraw/zinc/09/98/37/1055099837.db2.gz SRPLGLNTUPPXLW-PIGZYNQJSA-N 0 1 337.872 4.208 20 10 EICDMN Cc1cc([O-])c(C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)cc1Cl ZINC000825987118 1055099926 /nfs/dbraw/zinc/09/99/26/1055099926.db2.gz SRPLGLNTUPPXLW-DIFFPNOSSA-N 0 1 337.872 4.208 20 10 EICDMN C[C@@H]([NH2+]CC(C)(F)F)c1cc(Br)cc(Cl)c1[O-] ZINC000815644580 1048566640 /nfs/dbraw/zinc/56/66/40/1048566640.db2.gz GFYLKOINOZCROT-ZCFIWIBFSA-N 0 1 328.584 4.114 20 10 EICDMN [O-]c1ccc(Br)cc1C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000729685457 1032159371 /nfs/dbraw/zinc/15/93/71/1032159371.db2.gz BVFGHYATSMUIOX-UHFFFAOYSA-N 0 1 336.204 4.073 20 10 EICDMN COCCOCc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000841752831 1032353150 /nfs/dbraw/zinc/35/31/50/1032353150.db2.gz CLPHIKQHWHVJRP-AWEZNQCLSA-N 0 1 349.858 4.059 20 10 EICDMN Cc1cccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)c1 ZINC000120414603 1019528868 /nfs/dbraw/zinc/52/88/68/1019528868.db2.gz WUHQQKQSCANAIY-INIZCTEOSA-N 0 1 344.886 4.336 20 10 EICDMN CC[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cc(Br)ccc1[O-] ZINC000693132467 1020978714 /nfs/dbraw/zinc/97/87/14/1020978714.db2.gz PRECRPXJGODYSM-FZMZJTMJSA-N 0 1 342.277 4.011 20 10 EICDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000728286333 1021726325 /nfs/dbraw/zinc/72/63/25/1021726325.db2.gz SZKFPLAQKIGITQ-SFHVURJKSA-N 0 1 348.402 4.006 20 10 EICDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000728286333 1021726337 /nfs/dbraw/zinc/72/63/37/1021726337.db2.gz SZKFPLAQKIGITQ-SFHVURJKSA-N 0 1 348.402 4.006 20 10 EICDMN CC[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1cc(Br)ccc1[O-] ZINC000312097731 1022640053 /nfs/dbraw/zinc/64/00/53/1022640053.db2.gz SGVDHWIKJPKXDG-JQWIXIFHSA-N 0 1 334.204 4.383 20 10 EICDMN CC[C@@H](NCc1nccn1CCCc1ccccc1)c1ccccc1O ZINC000156273445 1023365296 /nfs/dbraw/zinc/36/52/96/1023365296.db2.gz XTFNULMFDKFRJI-HXUWFJFHSA-N 0 1 349.478 4.462 20 10 EICDMN CCO[C@@H](CC[NH2+][C@H](C)c1cc(Br)ccc1[O-])C(C)C ZINC000756627304 1023823058 /nfs/dbraw/zinc/82/30/58/1023823058.db2.gz HAPOJPNTDYPNJC-WBMJQRKESA-N 0 1 344.293 4.257 20 10 EICDMN CCOCC(C)(C)C[NH2+][C@H](CC)c1cc(Br)ccc1[O-] ZINC000313595674 1024059109 /nfs/dbraw/zinc/05/91/09/1024059109.db2.gz AAVNFWZZMIREML-CQSZACIVSA-N 0 1 344.293 4.258 20 10 EICDMN CC(C)(C)c1coc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000894514009 1026104907 /nfs/dbraw/zinc/10/49/07/1026104907.db2.gz CMDVFCNXUQQPPO-UHFFFAOYSA-N 0 1 329.227 4.274 20 10 EICDMN COc1ccc(C[N@H+]2CC(C)(C)[C@H]2c2cccs2)c(O)c1OC ZINC000894517636 1026121317 /nfs/dbraw/zinc/12/13/17/1026121317.db2.gz NCXHZRZLFDCWCO-QGZVFWFLSA-N 0 1 333.453 4.054 20 10 EICDMN COc1ccc(CN2CC(C)(C)[C@H]2c2cccs2)c(O)c1OC ZINC000894517636 1026121348 /nfs/dbraw/zinc/12/13/48/1026121348.db2.gz NCXHZRZLFDCWCO-QGZVFWFLSA-N 0 1 333.453 4.054 20 10 EICDMN CC[C@H]([NH2+]Cc1cccc(C)n1)c1cc(Br)ccc1[O-] ZINC000051574172 1026418425 /nfs/dbraw/zinc/41/84/25/1026418425.db2.gz IYJLXMQUPJXYOU-HNNXBMFYSA-N 0 1 335.245 4.099 20 10 EICDMN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)c1O ZINC000318935276 1026532139 /nfs/dbraw/zinc/53/21/39/1026532139.db2.gz XXPWRCLLTMKCCX-GFCCVEGCSA-N 0 1 337.769 4.217 20 10 EICDMN C[C@@H]1[C@H](C)C[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])[C@H]1C ZINC000708074803 1026840101 /nfs/dbraw/zinc/84/01/01/1026840101.db2.gz GPHVAZXOTPYFLB-BBBLOLIVSA-N 0 1 332.669 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EICDMN O=C(Cc1cccc(Cl)c1)NCc1cc(Cl)cc(Cl)c1O ZINC000807840968 1047515220 /nfs/dbraw/zinc/51/52/20/1047515220.db2.gz OODPJASINYJVRA-UHFFFAOYSA-N 0 1 344.625 4.211 20 10 EICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccnc2ccccc21 ZINC000807839456 1047523942 /nfs/dbraw/zinc/52/39/42/1047523942.db2.gz DSOJJJQCYMFJKR-UHFFFAOYSA-N 0 1 347.201 4.177 20 10 EICDMN Cc1cccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1F ZINC000807839343 1047524218 /nfs/dbraw/zinc/52/42/18/1047524218.db2.gz CEFIAXDULPZBPV-UHFFFAOYSA-N 0 1 328.170 4.077 20 10 EICDMN COc1cccc(O)c1CNCc1ccc(-c2ccco2)cc1F ZINC000790483533 1047596978 /nfs/dbraw/zinc/59/69/78/1047596978.db2.gz HSBAGLSAZBOFIH-UHFFFAOYSA-N 0 1 327.355 4.090 20 10 EICDMN Oc1c(Cl)cc(Cl)cc1CNc1ncnc2c(F)cccc12 ZINC000808087531 1047603607 /nfs/dbraw/zinc/60/36/07/1047603607.db2.gz YPDHWGZXAYYBRF-UHFFFAOYSA-N 0 1 338.169 4.393 20 10 EICDMN Cc1cc(C)c([N+](=O)[O-])c(NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000808089892 1047603749 /nfs/dbraw/zinc/60/37/49/1047603749.db2.gz MFKQCKWNSBRULS-UHFFFAOYSA-N 0 1 342.182 4.231 20 10 EICDMN CN(Cc1ccccc1O)Cc1cc(Br)c(F)cc1F ZINC001136855263 1047855099 /nfs/dbraw/zinc/85/50/99/1047855099.db2.gz CRJGDGJPTIZATM-UHFFFAOYSA-N 0 1 342.183 4.065 20 10 EICDMN COc1cc(Br)cc(C[NH+](C2CCC2)C2CCC2)c1[O-] ZINC000814177766 1047866385 /nfs/dbraw/zinc/86/63/85/1047866385.db2.gz OJHVSJNWWRIWLO-UHFFFAOYSA-N 0 1 340.261 4.070 20 10 EICDMN Cc1ccc(O)c(CNCc2cc(F)c(C(F)(F)F)cc2F)c1 ZINC000808428522 1047938035 /nfs/dbraw/zinc/93/80/35/1047938035.db2.gz FLZGJGNUYDWLQS-UHFFFAOYSA-N 0 1 331.284 4.287 20 10 EICDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825045702 1048023203 /nfs/dbraw/zinc/02/32/03/1048023203.db2.gz JNMAQIQEZKLVBN-LBPRGKRZSA-N 0 1 327.733 4.240 20 10 EICDMN CCc1ncc(C[NH2+][C@@H](CC)c2ccc(C(F)(F)F)cc2[O-])o1 ZINC000825079187 1048032524 /nfs/dbraw/zinc/03/25/24/1048032524.db2.gz NHJYLBSTBZCYQI-ZDUSSCGKSA-N 0 1 328.334 4.202 20 10 EICDMN [O-]c1cc(Br)ccc1C[NH2+][C@H]1CCCOc2ccccc21 ZINC000825191038 1048053948 /nfs/dbraw/zinc/05/39/48/1048053948.db2.gz TYBOVPVMEVLGGO-HNNXBMFYSA-N 0 1 348.240 4.158 20 10 EICDMN CCC[C@H]([NH2+]Cc1ccc(Br)cc1[O-])c1ccccn1 ZINC000825233353 1048055193 /nfs/dbraw/zinc/05/51/93/1048055193.db2.gz BSUKGECLBKJNJQ-AWEZNQCLSA-N 0 1 335.245 4.181 20 10 EICDMN Cc1cccnc1[C@H]([NH2+]Cc1ccc(Br)cc1[O-])C(C)C ZINC000825286669 1048064012 /nfs/dbraw/zinc/06/40/12/1048064012.db2.gz FZJYQAJVOPJPMD-MRXNPFEDSA-N 0 1 349.272 4.345 20 10 EICDMN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1O)C[C@H](O)C(C)(C)C ZINC000808742334 1048099484 /nfs/dbraw/zinc/09/94/84/1048099484.db2.gz PVSWWFDWRLOLAK-JXFKEZNVSA-N 0 1 327.468 4.362 20 10 EICDMN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1O)C[C@@H](O)C(C)(C)C ZINC000808742335 1048100329 /nfs/dbraw/zinc/10/03/29/1048100329.db2.gz PVSWWFDWRLOLAK-OXJNMPFZSA-N 0 1 327.468 4.362 20 10 EICDMN Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825529346 1048109389 /nfs/dbraw/zinc/10/93/89/1048109389.db2.gz AVYPHGJDHPYNOJ-LBPRGKRZSA-N 0 1 335.879 4.465 20 10 EICDMN Cc1cc(CN2CCC[C@@H]2c2nc3ccccc3n2C)ccc1N(C)C ZINC000815072375 1048318861 /nfs/dbraw/zinc/31/88/61/1048318861.db2.gz KWKOJGMCPYPAGV-OAQYLSRUSA-N 0 1 348.494 4.285 20 10 EICDMN [O-]c1ccc(Cl)cc1C[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000815150208 1048349785 /nfs/dbraw/zinc/34/97/85/1048349785.db2.gz SWLYAYAMRJTSSO-UHFFFAOYSA-N 0 1 349.833 4.066 20 10 EICDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000815146448 1048369126 /nfs/dbraw/zinc/36/91/26/1048369126.db2.gz HUCIGROUQXGSLL-GFCCVEGCSA-N 0 1 345.805 4.221 20 10 EICDMN COc1cccc(CN(Cc2cccnc2)Cc2ccccc2C)c1O ZINC000809735689 1048483461 /nfs/dbraw/zinc/48/34/61/1048483461.db2.gz OUUMJFVPNDQVDG-UHFFFAOYSA-N 0 1 348.446 4.307 20 10 EICDMN Oc1ccc2c(c1)OCCN(Cc1cc(-c3ccccc3)ccc1O)C2 ZINC000809704654 1048487824 /nfs/dbraw/zinc/48/78/24/1048487824.db2.gz DVDRZWMOIPNDIJ-UHFFFAOYSA-N 0 1 347.414 4.159 20 10 EICDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1cscc1Cl ZINC000809713672 1048491540 /nfs/dbraw/zinc/49/15/40/1048491540.db2.gz XFPTXJOOMWOPRT-UHFFFAOYSA-N 0 1 332.650 4.159 20 10 EICDMN CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])CS1 ZINC000809712776 1048491738 /nfs/dbraw/zinc/49/17/38/1048491738.db2.gz DYKARDBVUIUKTK-OCCSQVGLSA-N 0 1 344.318 4.165 20 10 EICDMN COc1ccc(CN[C@H](CC(=O)OC(C)C)c2ccccc2)cc1C ZINC000809763922 1048524559 /nfs/dbraw/zinc/52/45/59/1048524559.db2.gz SQTIIOORHDJQSI-LJQANCHMSA-N 0 1 341.451 4.176 20 10 EICDMN COCC1(CC[NH2+][C@@H](C)c2ccc(Br)cc2[O-])CCC1 ZINC000815642373 1048568209 /nfs/dbraw/zinc/56/82/09/1048568209.db2.gz ADURYGHQAXJIMT-LBPRGKRZSA-N 0 1 342.277 4.012 20 10 EICDMN CN(C)c1ccc(CNCc2cscc2C(F)(F)F)cc1F ZINC000810139137 1048645062 /nfs/dbraw/zinc/64/50/62/1048645062.db2.gz ZWVPOMXAQUMTOW-UHFFFAOYSA-N 0 1 332.366 4.262 20 10 EICDMN CC[C@H]([NH2+]Cc1ccccc1CO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810212599 1048682548 /nfs/dbraw/zinc/68/25/48/1048682548.db2.gz CSARVZURUGWVPC-INIZCTEOSA-N 0 1 339.357 4.144 20 10 EICDMN CC[C@@H]([NH2+]Cc1cccc(O)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215241 1048684792 /nfs/dbraw/zinc/68/47/92/1048684792.db2.gz UPJNYEGCDBUPOR-OAHLLOKOSA-N 0 1 325.330 4.358 20 10 EICDMN CC[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219098 1048688973 /nfs/dbraw/zinc/68/89/73/1048688973.db2.gz FIKVFFYTSYUHAL-LNSITVRQSA-N 0 1 331.378 4.003 20 10 EICDMN CC[C@@H]([NH2+]CC1(CCO)CCCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220970 1048690496 /nfs/dbraw/zinc/69/04/96/1048690496.db2.gz IHBRBFPADRGSQW-OAHLLOKOSA-N 0 1 345.405 4.395 20 10 EICDMN CC[C@H]([NH2+]C1C[C@H](C)O[C@@H](C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228869 1048696457 /nfs/dbraw/zinc/69/64/57/1048696457.db2.gz NAYQLKKWTYRYMX-PGUXBMHVSA-N 0 1 331.378 4.408 20 10 EICDMN CC[C@H]([NH2+]C[C@H]1CCC[C@@H]1OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810229711 1048697460 /nfs/dbraw/zinc/69/74/60/1048697460.db2.gz ICOFSNJQYOWUPX-WPGHFRTFSA-N 0 1 331.378 4.267 20 10 EICDMN CC[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810234666 1048701492 /nfs/dbraw/zinc/70/14/92/1048701492.db2.gz GGXSCKDEJXYACL-DZGCQCFKSA-N 0 1 331.378 4.411 20 10 EICDMN CC[C@@H]([NH2+]Cc1cccnc1OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810210018 1048705091 /nfs/dbraw/zinc/70/50/91/1048705091.db2.gz ZCHVLCHHGRYLJO-CQSZACIVSA-N 0 1 340.345 4.056 20 10 EICDMN CC[C@@H]([NH2+]CC1(CO)CCCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236449 1048719187 /nfs/dbraw/zinc/71/91/87/1048719187.db2.gz GCBLJACJIZKZCS-CQSZACIVSA-N 0 1 331.378 4.004 20 10 EICDMN C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000810245634 1048726272 /nfs/dbraw/zinc/72/62/72/1048726272.db2.gz FGLSGGLQTDEJTM-JFJYTDJESA-N 0 1 347.458 4.362 20 10 EICDMN C[C@@H](NCc1c(Cl)cccc1OC(F)F)c1ccccc1O ZINC000845989872 1048776327 /nfs/dbraw/zinc/77/63/27/1048776327.db2.gz KCKSLSRRTUOUAQ-SNVBAGLBSA-N 0 1 327.758 4.498 20 10 EICDMN COc1ccc(C[N@@H+](C)Cc2ccc3ccccc3c2O)cc1F ZINC000816482467 1048812406 /nfs/dbraw/zinc/81/24/06/1048812406.db2.gz HGHYKMJDPAXQRG-UHFFFAOYSA-N 0 1 325.383 4.325 20 10 EICDMN COc1ccc(C[N@H+](C)Cc2ccc3ccccc3c2[O-])cc1F ZINC000816482467 1048812410 /nfs/dbraw/zinc/81/24/10/1048812410.db2.gz HGHYKMJDPAXQRG-UHFFFAOYSA-N 0 1 325.383 4.325 20 10 EICDMN COc1ccc(C[N@@H+](C)Cc2ccc3ccccc3c2[O-])cc1F ZINC000816482467 1048812417 /nfs/dbraw/zinc/81/24/17/1048812417.db2.gz HGHYKMJDPAXQRG-UHFFFAOYSA-N 0 1 325.383 4.325 20 10 EICDMN COc1cccc([C@@H]2CN(Cc3ccc4ccccc4c3O)CCO2)c1 ZINC000816503448 1048821859 /nfs/dbraw/zinc/82/18/59/1048821859.db2.gz XWIJPOKHTGCIDT-NRFANRHFSA-N 0 1 349.430 4.128 20 10 EICDMN [O-]c1c(C[NH2+]CCc2ccc(OC(F)F)cc2)ccc2ccccc21 ZINC000816529772 1048823828 /nfs/dbraw/zinc/82/38/28/1048823828.db2.gz HDMQUTUIVVOBEU-UHFFFAOYSA-N 0 1 343.373 4.479 20 10 EICDMN CCOc1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cc1OC ZINC000816535481 1048825247 /nfs/dbraw/zinc/82/52/47/1048825247.db2.gz PTQWTSWGSLCGQA-UHFFFAOYSA-N 0 1 337.419 4.243 20 10 EICDMN [O-]c1c(C[NH2+]Cc2ccc(N3CCCCC3)nc2)ccc2ccccc21 ZINC000816535551 1048826172 /nfs/dbraw/zinc/82/61/72/1048826172.db2.gz SCIUEAWZEYMYAW-UHFFFAOYSA-N 0 1 347.462 4.221 20 10 EICDMN [O-]c1c(C[NH2+]Cc2ccc(OCC3CC3)nc2)ccc2ccccc21 ZINC000816545072 1048827102 /nfs/dbraw/zinc/82/71/02/1048827102.db2.gz CGJIRLFARYLCQJ-UHFFFAOYSA-N 0 1 334.419 4.019 20 10 EICDMN C[C@@H](O)[C@@](C)(C[NH2+]Cc1ccc2ccccc2c1[O-])Cc1ccccc1 ZINC000816590647 1048832136 /nfs/dbraw/zinc/83/21/36/1048832136.db2.gz HKRYZMHUOYWPNG-UZUQRXQVSA-N 0 1 349.474 4.265 20 10 EICDMN CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816585055 1048832174 /nfs/dbraw/zinc/83/21/74/1048832174.db2.gz AEFBWTMZDRNERA-QGZVFWFLSA-N 0 1 339.357 4.089 20 10 EICDMN CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816585055 1048832177 /nfs/dbraw/zinc/83/21/77/1048832177.db2.gz AEFBWTMZDRNERA-QGZVFWFLSA-N 0 1 339.357 4.089 20 10 EICDMN COc1cccc(OCCC[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816552775 1048833691 /nfs/dbraw/zinc/83/36/91/1048833691.db2.gz WJSCDSIEMSGLJU-UHFFFAOYSA-N 0 1 337.419 4.113 20 10 EICDMN Cc1ccn(-c2ccccc2C[NH2+]Cc2ccc3ccccc3c2[O-])n1 ZINC000816556623 1048834068 /nfs/dbraw/zinc/83/40/68/1048834068.db2.gz PHWKPSSYCYHETG-UHFFFAOYSA-N 0 1 343.430 4.329 20 10 EICDMN C[C@@H](C[C@@H](O)c1cccs1)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816559247 1048835493 /nfs/dbraw/zinc/83/54/93/1048835493.db2.gz COZCXWKBINWRNK-SUMWQHHRSA-N 0 1 327.449 4.209 20 10 EICDMN [O-]c1c(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)ccc2ccccc12 ZINC000816559921 1048835821 /nfs/dbraw/zinc/83/58/21/1048835821.db2.gz YXXXWMNNBOJJAI-SFHVURJKSA-N 0 1 345.801 4.161 20 10 EICDMN CC[C@H](N[C@H](c1ccccc1F)[C@H](C)O)c1ccc(N(C)C)cc1 ZINC000846185080 1048836384 /nfs/dbraw/zinc/83/63/84/1048836384.db2.gz YMKQLMBMMOKZGL-GKCIPKSASA-N 0 1 330.447 4.055 20 10 EICDMN C[C@H]([NH2+][C@@H](C)[C@@](C)(O)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000846189712 1048838136 /nfs/dbraw/zinc/83/81/36/1048838136.db2.gz RSJHQTNYPWZBJD-PONJGIIJSA-N 0 1 335.447 4.492 20 10 EICDMN C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])[C@@](C)(O)c1ccccc1 ZINC000846189717 1048838922 /nfs/dbraw/zinc/83/89/22/1048838922.db2.gz RSJHQTNYPWZBJD-WJONJSRFSA-N 0 1 335.447 4.492 20 10 EICDMN [O-]c1c(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)ccc2ccccc21 ZINC000816614803 1048846020 /nfs/dbraw/zinc/84/60/20/1048846020.db2.gz GCAQUHSDPSSISC-HXUWFJFHSA-N 0 1 344.458 4.182 20 10 EICDMN [O-]c1c(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)ccc2ccccc21 ZINC000816614803 1048846025 /nfs/dbraw/zinc/84/60/25/1048846025.db2.gz GCAQUHSDPSSISC-HXUWFJFHSA-N 0 1 344.458 4.182 20 10 EICDMN Cc1cc(C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)ccc1N1CCCCC1 ZINC000846280657 1048853486 /nfs/dbraw/zinc/85/34/86/1048853486.db2.gz GNQDGESABFBQRP-SFHVURJKSA-N 0 1 344.499 4.062 20 10 EICDMN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000817419820 1048967508 /nfs/dbraw/zinc/96/75/08/1048967508.db2.gz YOGNEULTVPXCQR-QGZVFWFLSA-N 0 1 325.452 4.044 20 10 EICDMN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000817419820 1048967521 /nfs/dbraw/zinc/96/75/21/1048967521.db2.gz YOGNEULTVPXCQR-QGZVFWFLSA-N 0 1 325.452 4.044 20 10 EICDMN CC[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817956841 1049066812 /nfs/dbraw/zinc/06/68/12/1049066812.db2.gz DZVIOYAPWPZIBN-INIZCTEOSA-N 0 1 338.373 4.277 20 10 EICDMN Oc1c(Cl)cc(Cl)cc1CNc1nc2cc(Cl)ccn2n1 ZINC000811840289 1049289049 /nfs/dbraw/zinc/28/90/49/1049289049.db2.gz WHJPQECTSPVRJV-UHFFFAOYSA-N 0 1 343.601 4.007 20 10 EICDMN CCN(C)c1ccc([C@H](C)NCc2nc3cc(F)ccc3n2C)cc1 ZINC000772997479 1049496650 /nfs/dbraw/zinc/49/66/50/1049496650.db2.gz DBHQFZDTJPVZDO-AWEZNQCLSA-N 0 1 340.446 4.019 20 10 EICDMN CC(C)(C[NH2+]Cc1ccc(Br)cc1[O-])CC(F)(F)F ZINC000827979943 1049533193 /nfs/dbraw/zinc/53/31/93/1049533193.db2.gz GBUGBJRTYMFBMF-UHFFFAOYSA-N 0 1 340.183 4.223 20 10 EICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc2ccsc2[nH]1 ZINC000813685731 1049809060 /nfs/dbraw/zinc/80/90/60/1049809060.db2.gz PXLLDIXQBQOZCC-UHFFFAOYSA-N 0 1 341.219 4.172 20 10 EICDMN CN(Cc1ccc(N(C)Cc2cccs2)cc1)Cc1cccnc1 ZINC000824120175 1049898545 /nfs/dbraw/zinc/89/85/45/1049898545.db2.gz UGEPSUDAZZZIPR-UHFFFAOYSA-N 0 1 337.492 4.412 20 10 EICDMN COc1ccc([C@H](NCc2cc(F)c(N(C)C)cc2F)C2CC2)cc1 ZINC001177176033 1050164577 /nfs/dbraw/zinc/16/45/77/1050164577.db2.gz UWYLVRWGHBMPRZ-HXUWFJFHSA-N 0 1 346.421 4.280 20 10 EICDMN Cc1cccc2c1CCN(Cc1cc(Br)ccc1O)C2 ZINC001203636274 1050293765 /nfs/dbraw/zinc/29/37/65/1050293765.db2.gz RWMBNEMWYLAOBN-UHFFFAOYSA-N 0 1 332.241 4.021 20 10 EICDMN Cc1cc(O)cc(C)c1NS(=O)(=O)c1csc2ccccc21 ZINC001186499050 1050341226 /nfs/dbraw/zinc/34/12/26/1050341226.db2.gz SHOQEAOWCZSWIK-UHFFFAOYSA-N 0 1 333.434 4.025 20 10 EICDMN Cc1cc(O)c(CNCc2cccc(OC(C)(C)C)n2)c(Cl)c1 ZINC001178386525 1050449299 /nfs/dbraw/zinc/44/92/99/1050449299.db2.gz AUHZPHXMRXQFEO-UHFFFAOYSA-N 0 1 334.847 4.216 20 10 EICDMN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccc2c(c1)CCCO2 ZINC001179205988 1050649931 /nfs/dbraw/zinc/64/99/31/1050649931.db2.gz ZQNKTLFIZLOXPC-CYBMUJFWSA-N 0 1 346.421 4.207 20 10 EICDMN CC[NH+](CC)C1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237082610 1050667650 /nfs/dbraw/zinc/66/76/50/1050667650.db2.gz SSHXMKKQDGZODW-UHFFFAOYSA-N 0 1 331.287 4.005 20 10 EICDMN Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1c([O-])cccc1Br ZINC001179541096 1050723442 /nfs/dbraw/zinc/72/34/42/1050723442.db2.gz DYHTUVKYPWHNRB-NSHDSACASA-N 0 1 338.220 4.453 20 10 EICDMN Cc1nn(-c2cccc(C)c2)cc1CN(C)Cc1ccc(N(C)C)cc1 ZINC001179844855 1050796497 /nfs/dbraw/zinc/79/64/97/1050796497.db2.gz DVSKJUOUJPRWIR-UHFFFAOYSA-N 0 1 348.494 4.187 20 10 EICDMN CC[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cc(Br)ccc1[O-] ZINC000691849010 1050823392 /nfs/dbraw/zinc/82/33/92/1050823392.db2.gz SSUGJPYEOVRDCQ-JSGCOSHPSA-N 0 1 342.277 4.153 20 10 EICDMN [O-]c1c(F)cc(Cl)cc1C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC001180175479 1050896094 /nfs/dbraw/zinc/89/60/94/1050896094.db2.gz VGICUWFMJJIMNF-KRWDZBQOSA-N 0 1 349.833 4.366 20 10 EICDMN [O-]c1cc(Cl)ccc1C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC001180228862 1050922701 /nfs/dbraw/zinc/92/27/01/1050922701.db2.gz CZDICFYAJNDUGK-UHFFFAOYSA-N 0 1 345.870 4.474 20 10 EICDMN [O-]c1cc(Cl)ccc1C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC001180228862 1050922709 /nfs/dbraw/zinc/92/27/09/1050922709.db2.gz CZDICFYAJNDUGK-UHFFFAOYSA-N 0 1 345.870 4.474 20 10 EICDMN COc1ccccc1[C@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001180189743 1050924322 /nfs/dbraw/zinc/92/43/22/1050924322.db2.gz VRKFLFAHTRWSSR-QGZVFWFLSA-N 0 1 333.378 4.406 20 10 EICDMN COc1ccc(CN(Cc2ccco2)Cc2ccccc2O)cc1F ZINC000070975606 1050982611 /nfs/dbraw/zinc/98/26/11/1050982611.db2.gz AXEZRXFAQCFMBN-UHFFFAOYSA-N 0 1 341.382 4.335 20 10 EICDMN Cc1cc(Br)c([O-])c(C[N@@H+](C)CC2CCCCC2)c1 ZINC001180539995 1051029544 /nfs/dbraw/zinc/02/95/44/1051029544.db2.gz DWLZLAUJLBQAGE-UHFFFAOYSA-N 0 1 326.278 4.475 20 10 EICDMN COc1cc(Cl)cc(CN2CC[C@](F)(c3ccccc3)C2)c1O ZINC001181214267 1051187865 /nfs/dbraw/zinc/18/78/65/1051187865.db2.gz UIPAFDAMGBTSMS-GOSISDBHSA-N 0 1 335.806 4.125 20 10 EICDMN CCC[C@H](CN(Cc1ccco1)Cc1ccc(N(C)C)cc1)OC ZINC001181566595 1051260226 /nfs/dbraw/zinc/26/02/26/1051260226.db2.gz YDBBGHKFBVDYIN-LJQANCHMSA-N 0 1 330.472 4.163 20 10 EICDMN CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000183801409 1051441499 /nfs/dbraw/zinc/44/14/99/1051441499.db2.gz LNHRJEYYNYQIKK-MRXNPFEDSA-N 0 1 341.451 4.099 20 10 EICDMN CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000183801409 1051441503 /nfs/dbraw/zinc/44/15/03/1051441503.db2.gz LNHRJEYYNYQIKK-MRXNPFEDSA-N 0 1 341.451 4.099 20 10 EICDMN CC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1cc(Cl)ccc1[O-] ZINC000775484341 1051555699 /nfs/dbraw/zinc/55/56/99/1051555699.db2.gz BRZCWLOGGBKXJV-RDJZCZTQSA-N 0 1 340.250 4.473 20 10 EICDMN CCNC(=O)c1cccc(C[NH2+][C@@H](CC)c2cc(Cl)ccc2[O-])c1 ZINC000775498431 1051622523 /nfs/dbraw/zinc/62/25/23/1051622523.db2.gz ZCYVAPUKVURCOX-KRWDZBQOSA-N 0 1 346.858 4.036 20 10 EICDMN CC[C@H]([NH2+]Cc1ccc2c(c1)OCCCO2)c1cc(Cl)ccc1[O-] ZINC000775498522 1051631149 /nfs/dbraw/zinc/63/11/49/1051631149.db2.gz MKAVUTWXLNQQJT-INIZCTEOSA-N 0 1 347.842 4.448 20 10 EICDMN C[C@@]1(Cc2ccccc2F)CCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001182544537 1051636806 /nfs/dbraw/zinc/63/68/06/1051636806.db2.gz QHSTVTPGTUGVOK-IBGZPJMESA-N 0 1 335.369 4.407 20 10 EICDMN CC[C@H]([NH2+][C@H]1CCCc2nc(C)ncc21)c1cc(Cl)ccc1[O-] ZINC000775508556 1051639080 /nfs/dbraw/zinc/63/90/80/1051639080.db2.gz VQJQHGZCWGQILZ-RDJZCZTQSA-N 0 1 331.847 4.262 20 10 EICDMN CC[C@@H]([NH2+]Cc1cn2c(cccc2C)n1)c1cc(Cl)ccc1[O-] ZINC000775504054 1051644924 /nfs/dbraw/zinc/64/49/24/1051644924.db2.gz QVIYBBJVRAOTSE-MRXNPFEDSA-N 0 1 329.831 4.243 20 10 EICDMN CC[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775503697 1051645347 /nfs/dbraw/zinc/64/53/47/1051645347.db2.gz MRAWVSGMXOVVET-INIZCTEOSA-N 0 1 332.831 4.115 20 10 EICDMN CC[C@H]([NH2+]CCc1cn2cccc(C)c2n1)c1cc(Cl)ccc1[O-] ZINC000775513101 1051660384 /nfs/dbraw/zinc/66/03/84/1051660384.db2.gz NTJFTCLKJCWIRP-KRWDZBQOSA-N 0 1 343.858 4.285 20 10 EICDMN CC[C@H]([NH2+][C@@H](C)C[C@@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000775513725 1051662228 /nfs/dbraw/zinc/66/22/28/1051662228.db2.gz LGCMUOIWTWHHKA-HUBLWGQQSA-N 0 1 342.277 4.011 20 10 EICDMN CC[C@@H]([NH2+]CCCc1c(C)nn(C)c1C)c1cc(Cl)ccc1[O-] ZINC000775531893 1051747630 /nfs/dbraw/zinc/74/76/30/1051747630.db2.gz OZSCYARGIYAXOX-QGZVFWFLSA-N 0 1 335.879 4.069 20 10 EICDMN COc1cccc2c(NC(=O)c3cc(O)c(O)c(Cl)c3)cccc12 ZINC001193624646 1051957117 /nfs/dbraw/zinc/95/71/17/1051957117.db2.gz HWXDJKWKADVURA-UHFFFAOYSA-N 0 1 343.766 4.165 20 10 EICDMN CCN(C)c1ccc(CN2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)cc1 ZINC001176532860 1052115244 /nfs/dbraw/zinc/11/52/44/1052115244.db2.gz NPBBFYMPWUTBNM-HMFYCAOWSA-N 0 1 338.495 4.493 20 10 EICDMN CCc1cccnc1[C@@H](C)NCc1ccc(N2CCSCC2)cc1 ZINC000780714308 1052164051 /nfs/dbraw/zinc/16/40/51/1052164051.db2.gz RHAHEWAMXMETCQ-MRXNPFEDSA-N 0 1 341.524 4.048 20 10 EICDMN CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])cc1 ZINC000184916276 1052307921 /nfs/dbraw/zinc/30/79/21/1052307921.db2.gz CHIXOCNSBWZCGJ-AWEZNQCLSA-N 0 1 334.419 4.355 20 10 EICDMN C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc2ccccc2c1[O-] ZINC000185095706 1052410089 /nfs/dbraw/zinc/41/00/89/1052410089.db2.gz BLWPWRWBKXZROH-YJYMSZOUSA-N 0 1 325.383 4.069 20 10 EICDMN C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000185836821 1052777977 /nfs/dbraw/zinc/77/79/77/1052777977.db2.gz BFLLBZGGWRJWJM-QWQRMKEZSA-N 0 1 325.408 4.301 20 10 EICDMN C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000186147647 1052949741 /nfs/dbraw/zinc/94/97/41/1052949741.db2.gz UWJLZYHIUJYBOS-CKJXQJPGSA-N 0 1 335.447 4.188 20 10 EICDMN COc1cc(CNC(C)(C)c2ncc(C)s2)c(O)c(C(C)(C)C)c1 ZINC000850178586 1053082116 /nfs/dbraw/zinc/08/21/16/1053082116.db2.gz CTYVJRHVXWHHTA-UHFFFAOYSA-N 0 1 348.512 4.488 20 10 EICDMN COc1cc(CNc2ccc3c(c2)CN(C)C3)c(O)c(C(C)(C)C)c1 ZINC000850208660 1053087760 /nfs/dbraw/zinc/08/77/60/1053087760.db2.gz XFZQTFNEEJXYNN-UHFFFAOYSA-N 0 1 340.467 4.256 20 10 EICDMN CCCc1nc(C)c(CNCc2cc(OC)cc(C(C)(C)C)c2O)o1 ZINC000850308779 1053109694 /nfs/dbraw/zinc/10/96/94/1053109694.db2.gz IVDUYCRDNUSWJS-UHFFFAOYSA-N 0 1 346.471 4.237 20 10 EICDMN C[C@@H](Nc1cccc(-n2nccn2)c1)c1ccc(Cl)c(Cl)c1O ZINC000864024160 1053156525 /nfs/dbraw/zinc/15/65/25/1053156525.db2.gz VVCVDPFOGPETES-SNVBAGLBSA-N 0 1 349.221 4.453 20 10 EICDMN Cc1cc(O)c(CN[C@@H](CO)c2cccc(Cl)c2Cl)cc1C ZINC000850402481 1053168488 /nfs/dbraw/zinc/16/84/88/1053168488.db2.gz MDTOALVWQDBYLB-HNNXBMFYSA-N 0 1 340.250 4.139 20 10 EICDMN COC[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])c1cccc(OC)c1 ZINC000850515520 1053272023 /nfs/dbraw/zinc/27/20/23/1053272023.db2.gz YALAEJVEUVMHLX-SJKOYZFVSA-N 0 1 335.831 4.093 20 10 EICDMN CC[C@H]([NH2+]CC1SCCS1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850562724 1053317482 /nfs/dbraw/zinc/31/74/82/1053317482.db2.gz XCFPSYSGFGBSLE-NSHDSACASA-N 0 1 337.432 4.258 20 10 EICDMN COc1ccc(O)c(CN(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)c1 ZINC000775650370 1053368468 /nfs/dbraw/zinc/36/84/68/1053368468.db2.gz YYIGCAPLNDPTMU-SCLBCKFNSA-N 0 1 327.424 4.282 20 10 EICDMN C[C@@H](C(=O)Nc1ccc2ccccc2c1)N(C)Cc1ccccc1O ZINC000109770874 1053422481 /nfs/dbraw/zinc/42/24/81/1053422481.db2.gz VTCZSAMGMNSTMA-HNNXBMFYSA-N 0 1 334.419 4.004 20 10 EICDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000775665616 1053440749 /nfs/dbraw/zinc/44/07/49/1053440749.db2.gz GDWXQSKYLQEGRH-UHFFFAOYSA-N 0 1 335.806 4.303 20 10 EICDMN COc1ccc([C@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C2)cc1 ZINC000775669489 1053479256 /nfs/dbraw/zinc/47/92/56/1053479256.db2.gz KOODMDAMBCRWBQ-ZDUSSCGKSA-N 0 1 335.806 4.183 20 10 EICDMN C[C@H]1CO[C@H](c2ccccc2)CN1Cc1cc(Cl)cc(F)c1O ZINC000775675352 1053507115 /nfs/dbraw/zinc/50/71/15/1053507115.db2.gz YSQBEPNJFMGHKW-SJCJKPOMSA-N 0 1 335.806 4.147 20 10 EICDMN CCCOc1ncccc1CN[C@H](C)c1ccc(N(C)CC)cc1 ZINC000765332515 1053508480 /nfs/dbraw/zinc/50/84/80/1053508480.db2.gz QLBIXTZCJSRULF-MRXNPFEDSA-N 0 1 327.472 4.177 20 10 EICDMN C[N@@H+](Cc1cccc(Cl)c1[O-])[C@@H]1CCCN(c2ccccc2)C1 ZINC000775707966 1053638061 /nfs/dbraw/zinc/63/80/61/1053638061.db2.gz KJECFFDJYXMQFJ-QGZVFWFLSA-N 0 1 330.859 4.146 20 10 EICDMN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000111236133 1053666006 /nfs/dbraw/zinc/66/60/06/1053666006.db2.gz JXTNOIRHUDAWFA-JKSUJKDBSA-N 0 1 340.467 4.365 20 10 EICDMN CC[C@H](NCc1noc2ccc(F)cc12)c1ccc(N(C)C)cc1 ZINC000866511861 1053761705 /nfs/dbraw/zinc/76/17/05/1053761705.db2.gz UUJMADUDOVNKBF-KRWDZBQOSA-N 0 1 327.403 4.274 20 10 EICDMN C[C@H]1C[C@H](NCc2noc3cc(F)ccc32)c2c1c(F)ccc2O ZINC000866612218 1053804299 /nfs/dbraw/zinc/80/42/99/1053804299.db2.gz FGRDPCZQPRWVHM-ZANVPECISA-N 0 1 330.334 4.150 20 10 EICDMN C[C@@H](NCc1noc2cc(F)ccc21)c1cc2c(cc1O)CCCC2 ZINC000866612494 1053805455 /nfs/dbraw/zinc/80/54/55/1053805455.db2.gz KCBYWSROVMASCT-GFCCVEGCSA-N 0 1 340.398 4.402 20 10 EICDMN Cc1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1F ZINC001197429036 1053910150 /nfs/dbraw/zinc/91/01/50/1053910150.db2.gz SLKUCCLDJOBZFP-UHFFFAOYSA-N 0 1 343.185 4.468 20 10 EICDMN Cc1cc(N(C)C)ccc1CNCc1c(F)cccc1N1CCCC1 ZINC000115629383 1054366789 /nfs/dbraw/zinc/36/67/89/1054366789.db2.gz AYFBGJICFZMPGL-UHFFFAOYSA-N 0 1 341.474 4.090 20 10 EICDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000858118183 1054421193 /nfs/dbraw/zinc/42/11/93/1054421193.db2.gz QVTXEKQAZJGGLN-OAHLLOKOSA-N 0 1 336.204 4.071 20 10 EICDMN C[C@H](CCCc1cccnc1)[NH2+]Cc1c([O-])cccc1Br ZINC000858176308 1054431895 /nfs/dbraw/zinc/43/18/95/1054431895.db2.gz TWJOPUDFBNIZPZ-CYBMUJFWSA-N 0 1 349.272 4.051 20 10 EICDMN [O-]c1cccc(Br)c1C[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000858193653 1054435966 /nfs/dbraw/zinc/43/59/66/1054435966.db2.gz YZCRIFQHUKNNDD-UHFFFAOYSA-N 0 1 346.215 4.212 20 10 EICDMN Cc1cc(CNCc2cnc(Cl)n2C)c(C)n1-c1cccc(C)c1 ZINC000858292459 1054455017 /nfs/dbraw/zinc/45/50/17/1054455017.db2.gz ACGOUXZSBQYUOZ-UHFFFAOYSA-N 0 1 342.874 4.079 20 10 EICDMN C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1[O-])c1ccns1 ZINC000858576000 1054521834 /nfs/dbraw/zinc/52/18/34/1054521834.db2.gz HCLNXQLJOUZRCG-RKDXNWHRSA-N 0 1 327.247 4.023 20 10 EICDMN COc1ccc(CNCc2sccc2Br)cc1C ZINC000105467850 1054522982 /nfs/dbraw/zinc/52/29/82/1054522982.db2.gz HYDAMBUTKVPNKS-UHFFFAOYSA-N 0 1 326.259 4.117 20 10 EICDMN CC(=O)Nc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000021009415 1054792507 /nfs/dbraw/zinc/79/25/07/1054792507.db2.gz BTGJEQCCXIYQSK-UHFFFAOYSA-N 0 1 325.195 4.270 20 10 EICDMN CC(=O)Nc1cccc(NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000021031992 1054793775 /nfs/dbraw/zinc/79/37/75/1054793775.db2.gz KVSBZFQLILQQRI-UHFFFAOYSA-N 0 1 325.195 4.270 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000776174808 1054802615 /nfs/dbraw/zinc/80/26/15/1054802615.db2.gz GRXZUXJQNNUYEC-OAHLLOKOSA-N 0 1 346.641 4.176 20 10 EICDMN CC(C)Nc1ccc(Nc2ccc(CCN3CCOCC3)cc2)cc1 ZINC001201497555 1054820567 /nfs/dbraw/zinc/82/05/67/1054820567.db2.gz IQRRNDSJZGMWBQ-UHFFFAOYSA-N 0 1 339.483 4.125 20 10 EICDMN COc1ccc2c(c1)c1c(n2C)CC[N@H+](CCCc2ccccc2)C1 ZINC001201663799 1054879623 /nfs/dbraw/zinc/87/96/23/1054879623.db2.gz LCCAKLHOGVFKKL-UHFFFAOYSA-N 0 1 334.463 4.178 20 10 EICDMN COc1ccc2c(c1)c1c(n2C)CCN(CCCc2ccccc2)C1 ZINC001201663799 1054879630 /nfs/dbraw/zinc/87/96/30/1054879630.db2.gz LCCAKLHOGVFKKL-UHFFFAOYSA-N 0 1 334.463 4.178 20 10 EICDMN Cc1ccc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(O)c1 ZINC000876630903 1054943168 /nfs/dbraw/zinc/94/31/68/1054943168.db2.gz NJBSDOKHAFLKPR-RYUDHWBXSA-N 0 1 341.295 4.263 20 10 EICDMN CC(C)CC(=O)Nc1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000876820028 1054964357 /nfs/dbraw/zinc/96/43/57/1054964357.db2.gz PSEQKRLVHOXLQB-UHFFFAOYSA-N 0 1 334.366 4.267 20 10 EICDMN CC[C@H](NCc1ccc(C)cc1O)c1nc(C(F)(F)F)cs1 ZINC000877067944 1055012153 /nfs/dbraw/zinc/01/21/53/1055012153.db2.gz JYINPUGCJHJQFM-NSHDSACASA-N 0 1 330.375 4.417 20 10 EICDMN Cc1cccc([C@H]2CCC[N@@H+]2Cc2c([O-])cccc2Br)n1 ZINC000862245968 1055033225 /nfs/dbraw/zinc/03/32/25/1055033225.db2.gz DCMMTALASHFTRP-MRXNPFEDSA-N 0 1 347.256 4.195 20 10 EICDMN Cc1cccc([C@H]2CCC[N@H+]2Cc2c([O-])cccc2Br)n1 ZINC000862245968 1055033241 /nfs/dbraw/zinc/03/32/41/1055033241.db2.gz DCMMTALASHFTRP-MRXNPFEDSA-N 0 1 347.256 4.195 20 10 EICDMN Cc1cccc([C@@H]2CCC[N@@H+]2Cc2c([O-])cccc2Br)n1 ZINC000862245967 1055035900 /nfs/dbraw/zinc/03/59/00/1055035900.db2.gz DCMMTALASHFTRP-INIZCTEOSA-N 0 1 347.256 4.195 20 10 EICDMN Cc1cccc([C@@H]2CCC[N@H+]2Cc2c([O-])cccc2Br)n1 ZINC000862245967 1055035917 /nfs/dbraw/zinc/03/59/17/1055035917.db2.gz DCMMTALASHFTRP-INIZCTEOSA-N 0 1 347.256 4.195 20 10 EICDMN CC[C@H]([NH2+]CCCCSC)c1cc(Br)ccc1[O-] ZINC000119185416 1055126790 /nfs/dbraw/zinc/12/67/90/1055126790.db2.gz GSCBWIAPAXOMQY-ZDUSSCGKSA-N 0 1 332.307 4.339 20 10 EICDMN C[C@@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1cc(Cl)ccc1[O-] ZINC000765821088 1055669700 /nfs/dbraw/zinc/66/97/00/1055669700.db2.gz YSMIPOPTMNRYAE-DIFFPNOSSA-N 0 1 340.250 4.257 20 10 EICDMN COc1cc(F)c([C@H](C)NCc2ccc3c(c2)CCCO3)cc1OC ZINC000921744394 1056392070 /nfs/dbraw/zinc/39/20/70/1056392070.db2.gz UXLALDBCJGLQAK-ZDUSSCGKSA-N 0 1 345.414 4.019 20 10 EICDMN C[C@H](C[N@H+](Cc1ccccc1[O-])C1CCCC1)NC(=O)OC(C)(C)C ZINC000785453091 1056418666 /nfs/dbraw/zinc/41/86/66/1056418666.db2.gz AYIAUQHXXSZPMG-OAHLLOKOSA-N 0 1 348.487 4.050 20 10 EICDMN C[C@H](C[N@@H+](Cc1ccccc1[O-])C1CCCC1)NC(=O)OC(C)(C)C ZINC000785453091 1056418688 /nfs/dbraw/zinc/41/86/88/1056418688.db2.gz AYIAUQHXXSZPMG-OAHLLOKOSA-N 0 1 348.487 4.050 20 10 EICDMN CC(C)Cn1ccnc1CNCc1cc(-c2ccccc2)ccc1O ZINC000742373012 1058599582 /nfs/dbraw/zinc/59/95/82/1058599582.db2.gz COVYEQIFKXWITJ-UHFFFAOYSA-N 0 1 335.451 4.202 20 10 EICDMN COc1ccc(C2CC[NH+](Cc3c([O-])ccc4ccncc43)CC2)cc1 ZINC000744436953 1059473317 /nfs/dbraw/zinc/47/33/17/1059473317.db2.gz CLFCRYHZAOGHLK-UHFFFAOYSA-N 0 1 348.446 4.329 20 10 EICDMN C[C@H](NCc1ccc(F)cn1)c1ccc(N2CCCCCC2)cc1 ZINC000766606464 1060676665 /nfs/dbraw/zinc/67/66/65/1060676665.db2.gz ARYULQIPSMEUQP-INIZCTEOSA-N 0 1 327.447 4.452 20 10 EICDMN COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691439803 1061204483 /nfs/dbraw/zinc/20/44/83/1061204483.db2.gz KNVNSDAVUANDEU-LLVKDONJSA-N 0 1 336.229 4.014 20 10 EICDMN CC[C@H]([NH2+]CC1CC(F)(F)C1)c1cc(Br)ccc1[O-] ZINC000383167550 1018852341 /nfs/dbraw/zinc/85/23/41/1018852341.db2.gz ROMDUYXQBMEOLX-LBPRGKRZSA-N 0 1 334.204 4.241 20 10 EICDMN C[C@@H](NCc1ccc(F)cc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000135965730 1021696549 /nfs/dbraw/zinc/69/65/49/1021696549.db2.gz YSKBRBCONLMFEP-CQSZACIVSA-N 0 1 348.849 4.167 20 10 EICDMN CCN(C)c1ccc([C@@H](C)N[C@@H]2CCOc3ccc(F)cc32)cc1 ZINC000180718539 1022805715 /nfs/dbraw/zinc/80/57/15/1022805715.db2.gz XVORDIGIMNCLRR-AUUYWEPGSA-N 0 1 328.431 4.456 20 10 EICDMN [O-]c1cccc(Br)c1C[NH2+]CCc1ccc(Cl)s1 ZINC000706883094 1023008563 /nfs/dbraw/zinc/00/85/63/1023008563.db2.gz AFAQDYCRTNTIIR-UHFFFAOYSA-N 0 1 346.677 4.202 20 10 EICDMN CCc1nc(CC[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])cs1 ZINC000185310767 1023028641 /nfs/dbraw/zinc/02/86/41/1023028641.db2.gz IUXTXKMGIITLOM-ZDUSSCGKSA-N 0 1 326.465 4.458 20 10 EICDMN Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000185559423 1023054097 /nfs/dbraw/zinc/05/40/97/1023054097.db2.gz XCCQYKFAQDHAOD-UONOGXRCSA-N 0 1 337.467 4.178 20 10 EICDMN [O-]c1ccc(Br)cc1C[NH2+]CC1CCC(F)(F)CC1 ZINC000693386876 1023345930 /nfs/dbraw/zinc/34/59/30/1023345930.db2.gz QHOXKMOWYQJZLP-UHFFFAOYSA-N 0 1 334.204 4.070 20 10 EICDMN COc1ccc(CNCc2c(Cl)cccc2Cl)c(O)c1OC ZINC000892742867 1023361023 /nfs/dbraw/zinc/36/10/23/1023361023.db2.gz SRIVIQAMNCEMHC-UHFFFAOYSA-N 0 1 342.222 4.006 20 10 EICDMN COCCOc1ccccc1NCc1cc(Cl)cc(Cl)c1O ZINC000123188923 1023599391 /nfs/dbraw/zinc/59/93/91/1023599391.db2.gz PEBCXEGWWMKVAH-UHFFFAOYSA-N 0 1 342.222 4.336 20 10 EICDMN CCO[C@@H](CC[NH2+][C@@H](C)c1cc(Br)ccc1[O-])C(C)C ZINC000756627302 1023822259 /nfs/dbraw/zinc/82/22/59/1023822259.db2.gz HAPOJPNTDYPNJC-LRDDRELGSA-N 0 1 344.293 4.257 20 10 EICDMN CC[C@@H]([NH2+]CC1SCCS1)c1cc(Br)ccc1[O-] ZINC000692875282 1025062532 /nfs/dbraw/zinc/06/25/32/1025062532.db2.gz ULNQNLRHCBQPBY-LLVKDONJSA-N 0 1 348.331 4.002 20 10 EICDMN CC[C@H]([NH2+]CC1SCCS1)c1cc(Br)ccc1[O-] ZINC000692875308 1025062839 /nfs/dbraw/zinc/06/28/39/1025062839.db2.gz ULNQNLRHCBQPBY-NSHDSACASA-N 0 1 348.331 4.002 20 10 EICDMN COc1ccc([C@@H]([NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])C(C)C)cc1 ZINC000182058899 1026018156 /nfs/dbraw/zinc/01/81/56/1026018156.db2.gz NYZPMVWXXOJILH-IBGZPJMESA-N 0 1 345.414 4.229 20 10 EICDMN C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708132542 1027405283 /nfs/dbraw/zinc/40/52/83/1027405283.db2.gz DLRUIADXCSNOPN-VHSXEESVSA-N 0 1 332.669 4.429 20 10 EICDMN CN(C)c1ccc(CN[C@H](c2ccccn2)C2CC2)c(C(F)(F)F)c1 ZINC000896612282 1027682824 /nfs/dbraw/zinc/68/28/24/1027682824.db2.gz JTXLGNHWUCPQBH-SFHVURJKSA-N 0 1 349.400 4.407 20 10 EICDMN C[C@@H](N[C@@H](C)c1ccn(C)n1)c1ccc(N2CCCCCC2)cc1 ZINC000840815244 1029430941 /nfs/dbraw/zinc/43/09/41/1029430941.db2.gz CNBBUTCHSPWFAT-SJORKVTESA-N 0 1 326.488 4.212 20 10 EICDMN CC[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1cc(Cl)cc(Cl)c1[O-] ZINC000530213574 1030225314 /nfs/dbraw/zinc/22/53/14/1030225314.db2.gz ALUWRZMGUIEBHD-UONOGXRCSA-N 0 1 329.271 4.024 20 10 EICDMN C[C@]1(C[NH2+]Cc2cccc(Cl)c2[O-])CCN(Cc2ccccc2)C1 ZINC000310188943 1031050919 /nfs/dbraw/zinc/05/09/19/1031050919.db2.gz PPDUJNQGZPUWLB-HXUWFJFHSA-N 0 1 344.886 4.047 20 10 EICDMN COc1ccc(O)c([C@H](C)NCc2nc3cc(C)ccc3s2)c1 ZINC000528439345 1031523167 /nfs/dbraw/zinc/52/31/67/1031523167.db2.gz UOAUGJZCJSQCCO-LBPRGKRZSA-N 0 1 328.437 4.170 20 10 EICDMN CC(C)n1cc(CN(C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000178867462 1034801037 /nfs/dbraw/zinc/80/10/37/1034801037.db2.gz XCQONWDVCGNZIN-UHFFFAOYSA-N 0 1 326.488 4.086 20 10 EICDMN C[C@H](N[C@@H](C)c1ccc(Br)cn1)c1ccc(N(C)C)cc1 ZINC000280274420 1035226516 /nfs/dbraw/zinc/22/65/16/1035226516.db2.gz YCBMKSLOZPYNBX-STQMWFEESA-N 0 1 348.288 4.322 20 10 EICDMN CC[C@@H]([NH2+]CC(C)(C)SC)c1cc(Br)ccc1[O-] ZINC000169215046 1035844583 /nfs/dbraw/zinc/84/45/83/1035844583.db2.gz BTSVUMJVYMHKFP-GFCCVEGCSA-N 0 1 332.307 4.337 20 10 EICDMN COc1ccc([C@@H](C)[N@@H+](C)Cc2cc(Cl)cc(OC)c2O)cc1 ZINC000761191801 1036010499 /nfs/dbraw/zinc/01/04/99/1036010499.db2.gz WGSHXGZGXQLMOB-GFCCVEGCSA-N 0 1 335.831 4.256 20 10 EICDMN C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1ccc(F)cc1F ZINC000163593222 1037381502 /nfs/dbraw/zinc/38/15/02/1037381502.db2.gz AQHRXSGIXQOJOX-CQSZACIVSA-N 0 1 348.462 4.369 20 10 EICDMN Cc1nc(C)c(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])s1 ZINC000273361038 1037435041 /nfs/dbraw/zinc/43/50/41/1037435041.db2.gz AHUTTXYBRLHBTN-QMMMGPOBSA-N 0 1 341.274 4.079 20 10 EICDMN CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2[O-])CCO1 ZINC000273445295 1037466834 /nfs/dbraw/zinc/46/68/34/1037466834.db2.gz DXZQUMINBQPHNT-GHJWDPDVSA-N 0 1 342.277 4.009 20 10 EICDMN C[C@@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000273516835 1037491450 /nfs/dbraw/zinc/49/14/50/1037491450.db2.gz SRWUVYRTBXTLMR-WNDFPBNNSA-N 0 1 337.872 4.195 20 10 EICDMN C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])c1ccc(F)cc1F ZINC000226036150 1037888824 /nfs/dbraw/zinc/88/88/24/1037888824.db2.gz IHMSOUPFRBXDDM-VIFPVBQESA-N 0 1 342.183 4.284 20 10 EICDMN CC[C@H](N[C@@H](C)c1cscn1)c1cc(Br)ccc1O ZINC000697873326 1039879821 /nfs/dbraw/zinc/87/98/21/1039879821.db2.gz UYZIDJWITHHGST-CABZTGNLSA-N 0 1 341.274 4.413 20 10 EICDMN [O-]c1cc(Br)cc(F)c1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001233031604 1040112203 /nfs/dbraw/zinc/11/22/03/1040112203.db2.gz HYBVMAJMIVAHLW-QMTHXVAHSA-N 0 1 328.225 4.058 20 10 EICDMN CCCN(Cc1nnc(-c2ccc(C)cc2)o1)Cc1ccccc1O ZINC000727830816 1043312002 /nfs/dbraw/zinc/31/20/02/1043312002.db2.gz PPZHFPXOBMJPCC-UHFFFAOYSA-N 0 1 337.423 4.163 20 10 EICDMN CC[C@@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C[C@@H](C)O1 ZINC000732186118 1043883995 /nfs/dbraw/zinc/88/39/95/1043883995.db2.gz XUOGHSOECXXCHW-UKRRQHHQSA-N 0 1 325.408 4.291 20 10 EICDMN CC[C@@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C[C@@H](C)O1 ZINC000732186118 1043883996 /nfs/dbraw/zinc/88/39/96/1043883996.db2.gz XUOGHSOECXXCHW-UKRRQHHQSA-N 0 1 325.408 4.291 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000733322717 1044184700 /nfs/dbraw/zinc/18/47/00/1044184700.db2.gz SJLHALWRCIFKBV-UHFFFAOYSA-N 0 1 331.721 4.234 20 10 EICDMN C[N@H+](Cc1c([O-])cccc1Br)C1CCC(F)(F)CC1 ZINC000707150436 1044811446 /nfs/dbraw/zinc/81/14/46/1044811446.db2.gz PEKUFJTXUWUBLT-UHFFFAOYSA-N 0 1 334.204 4.164 20 10 EICDMN C[N@@H+](Cc1c([O-])cccc1Br)C1CCC(F)(F)CC1 ZINC000707150436 1044811452 /nfs/dbraw/zinc/81/14/52/1044811452.db2.gz PEKUFJTXUWUBLT-UHFFFAOYSA-N 0 1 334.204 4.164 20 10 EICDMN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1cccc(C(C)C)c1 ZINC000761996540 1044855612 /nfs/dbraw/zinc/85/56/12/1044855612.db2.gz XLGUBVBZLJGVPJ-UHFFFAOYSA-N 0 1 349.452 4.104 20 10 EICDMN CCO[C@H]1C[C@@H]([N@H+](C)Cc2c([O-])ccc3ccc(OC)cc32)C1(C)C ZINC000740863692 1045231999 /nfs/dbraw/zinc/23/19/99/1045231999.db2.gz WSNNADLWYMOWKA-UXHICEINSA-N 0 1 343.467 4.189 20 10 EICDMN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2c([O-])ccc3ccc(OC)cc32)C1(C)C ZINC000740863692 1045232009 /nfs/dbraw/zinc/23/20/09/1045232009.db2.gz WSNNADLWYMOWKA-UXHICEINSA-N 0 1 343.467 4.189 20 10 EICDMN C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000790935473 1045625570 /nfs/dbraw/zinc/62/55/70/1045625570.db2.gz WTGSFNOVASLJLZ-OXJNMPFZSA-N 0 1 325.452 4.185 20 10 EICDMN C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000790935473 1045625583 /nfs/dbraw/zinc/62/55/83/1045625583.db2.gz WTGSFNOVASLJLZ-OXJNMPFZSA-N 0 1 325.452 4.185 20 10 EICDMN CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(Cl)ccc1[O-] ZINC000768203519 1045740579 /nfs/dbraw/zinc/74/05/79/1045740579.db2.gz KABHZYVBEZBQLQ-UHFFFAOYSA-N 0 1 335.831 4.085 20 10 EICDMN CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(Cl)ccc1[O-] ZINC000768203519 1045740596 /nfs/dbraw/zinc/74/05/96/1045740596.db2.gz KABHZYVBEZBQLQ-UHFFFAOYSA-N 0 1 335.831 4.085 20 10 EICDMN CCN(CC)c1ccc(CN(C)Cc2c(C)nc3sccn23)cc1 ZINC000768208102 1045743813 /nfs/dbraw/zinc/74/38/13/1045743813.db2.gz NFBPYDMXRIUXRS-UHFFFAOYSA-N 0 1 342.512 4.182 20 10 EICDMN C[C@@H](c1ccccc1F)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000768265246 1045771120 /nfs/dbraw/zinc/77/11/20/1045771120.db2.gz SVEMGVPUQAVMPG-NSHDSACASA-N 0 1 338.220 4.487 20 10 EICDMN C[C@@H](c1cccs1)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768416839 1045808354 /nfs/dbraw/zinc/80/83/54/1045808354.db2.gz LRWZKCQGSNZSNG-VIFPVBQESA-N 0 1 326.805 4.208 20 10 EICDMN C[C@H]1CN(Cc2cc3c(cc2O)CCCC3)C[C@@H](c2ccsc2)O1 ZINC000768465340 1045811251 /nfs/dbraw/zinc/81/12/51/1045811251.db2.gz ZQSKZGNSWAZESQ-XOBRGWDASA-N 0 1 343.492 4.295 20 10 EICDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000792169425 1045873120 /nfs/dbraw/zinc/87/31/20/1045873120.db2.gz JTTJRGSHWUPJKQ-OAHLLOKOSA-N 0 1 349.833 4.223 20 10 EICDMN CCc1ccc([C@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])CCO2)cc1 ZINC000792188827 1045875725 /nfs/dbraw/zinc/87/57/25/1045875725.db2.gz LYRYOPNZSVZHIW-GOSISDBHSA-N 0 1 331.843 4.182 20 10 EICDMN COc1cc(CN(C)Cc2c(O)cccc2Cl)ccc1SC ZINC000769192032 1045885655 /nfs/dbraw/zinc/88/56/55/1045885655.db2.gz GRTCQFSQJCITFY-UHFFFAOYSA-N 0 1 337.872 4.408 20 10 EICDMN CCN1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1C ZINC000769470641 1045984763 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[O-]c1ccc2ccccc2c1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000917484362 1046907330 /nfs/dbraw/zinc/90/73/30/1046907330.db2.gz CFSBURIXFUUDNM-UHFFFAOYSA-N 0 1 332.447 4.258 20 10 EICDMN [O-]c1ccc2ccccc2c1C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000917484362 1046907345 /nfs/dbraw/zinc/90/73/45/1046907345.db2.gz CFSBURIXFUUDNM-UHFFFAOYSA-N 0 1 332.447 4.258 20 10 EICDMN CC[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806132753 1047126192 /nfs/dbraw/zinc/12/61/92/1047126192.db2.gz ZXBABCOVZKLNQH-BZNIZROVSA-N 0 1 343.298 4.224 20 10 EICDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000788532024 1047227635 /nfs/dbraw/zinc/22/76/35/1047227635.db2.gz KSFFOJYIFFRZPH-OAHLLOKOSA-N 0 1 330.859 4.052 20 10 EICDMN CCN(CC)c1ccc(CN[C@@H]2CCc3ccc(Cl)nc32)cc1F ZINC000788593403 1047240220 /nfs/dbraw/zinc/24/02/20/1047240220.db2.gz PFUJFJNDFCETKL-MRXNPFEDSA-N 0 1 347.865 4.497 20 10 EICDMN CCc1ncsc1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806363218 1047251468 /nfs/dbraw/zinc/25/14/68/1047251468.db2.gz 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CC[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810235477 1048700360 /nfs/dbraw/zinc/70/03/60/1048700360.db2.gz QNRHEWUHELONHB-HUBLWGQQSA-N 0 1 331.378 4.267 20 10 EICDMN CC[C@H]([NH2+]CCCOCC1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208056 1048704601 /nfs/dbraw/zinc/70/46/01/1048704601.db2.gz SHNJQBRZKLJNKU-HNNXBMFYSA-N 0 1 331.378 4.268 20 10 EICDMN CC[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236796 1048718894 /nfs/dbraw/zinc/71/88/94/1048718894.db2.gz NKDSPLMMYBVATQ-KGLIPLIRSA-N 0 1 343.345 4.168 20 10 EICDMN C[N@@H+](Cc1ccc(Br)o1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816485158 1048813170 /nfs/dbraw/zinc/81/31/70/1048813170.db2.gz BHCOQOOQAXOKPG-UHFFFAOYSA-N 0 1 348.599 4.172 20 10 EICDMN [O-]c1c(C[NH+]2CCC(OC3CCCC3)CC2)ccc2ccccc21 ZINC000816499281 1048819679 /nfs/dbraw/zinc/81/96/79/1048819679.db2.gz KLRULMFOZUGSBC-UHFFFAOYSA-N 0 1 325.452 4.469 20 10 EICDMN [O-]c1c(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)ccc2ccccc12 ZINC000816531473 1048826096 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CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816570343 1048836441 /nfs/dbraw/zinc/83/64/41/1048836441.db2.gz QVIFFKOGQAYMJV-MRXNPFEDSA-N 0 1 341.451 4.099 20 10 EICDMN CN(Cc1cccc(Br)c1O)Cc1c(F)cccc1F ZINC000816652043 1048848591 /nfs/dbraw/zinc/84/85/91/1048848591.db2.gz XXKNMHHBZAFCTN-UHFFFAOYSA-N 0 1 342.183 4.065 20 10 EICDMN Cc1cc(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])cc(C)n1 ZINC000817589999 1049018408 /nfs/dbraw/zinc/01/84/08/1049018408.db2.gz SDEXEAPUZBSIRX-GFCCVEGCSA-N 0 1 335.245 4.017 20 10 EICDMN Oc1ccc2oc3c(c2c1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1)CCCC3 ZINC000129046963 1049373194 /nfs/dbraw/zinc/37/31/94/1049373194.db2.gz ROFCIBONRZHQNN-KDOFPFPSSA-N 0 1 341.451 4.018 20 10 EICDMN [O-]c1ccc2oc3c(c2c1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1)CCCC3 ZINC000129046963 1049373206 /nfs/dbraw/zinc/37/32/06/1049373206.db2.gz ROFCIBONRZHQNN-KDOFPFPSSA-N 0 1 341.451 4.018 20 10 EICDMN [O-]c1ccc2oc3c(c2c1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1)CCCC3 ZINC000129046963 1049373218 /nfs/dbraw/zinc/37/32/18/1049373218.db2.gz ROFCIBONRZHQNN-KDOFPFPSSA-N 0 1 341.451 4.018 20 10 EICDMN CC[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1cc(Cl)ccc1[O-] ZINC000812736935 1049556867 /nfs/dbraw/zinc/55/68/67/1049556867.db2.gz FOHUMELODKCEIJ-MRXNPFEDSA-N 0 1 329.831 4.173 20 10 EICDMN C[C@@H](NCc1cccc(F)n1)c1ccc(N2CCCCC2)c(F)c1 ZINC000773088595 1049573928 /nfs/dbraw/zinc/57/39/28/1049573928.db2.gz PAPPWXAQKVXOKE-CQSZACIVSA-N 0 1 331.410 4.201 20 10 EICDMN CC[C@H]([NH2+][C@@H](C)Cc1ccco1)c1cc(Br)ccc1[O-] ZINC000036993963 1049653083 /nfs/dbraw/zinc/65/30/83/1049653083.db2.gz PBYPNKWCROGHHQ-NHYWBVRUSA-N 0 1 338.245 4.420 20 10 EICDMN COC(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000037307565 1049701253 /nfs/dbraw/zinc/70/12/53/1049701253.db2.gz BGAOVUXHUPERQA-UHFFFAOYSA-N 0 1 326.179 4.098 20 10 EICDMN C[C@@H](NC(=O)c1cc(Cl)c2ccccc2c1O)c1ccccc1O ZINC001171723053 1049784354 /nfs/dbraw/zinc/78/43/54/1049784354.db2.gz LLFUXTCALWOGDE-LLVKDONJSA-N 0 1 341.794 4.395 20 10 EICDMN COc1ccc(O)c(CNCc2ccc(Oc3ccccc3)o2)c1 ZINC000180953506 1049968552 /nfs/dbraw/zinc/96/85/52/1049968552.db2.gz BNXYFEZFISSGTJ-UHFFFAOYSA-N 0 1 325.364 4.076 20 10 EICDMN Cc1nc(CC(=O)Nc2ccc(N=Nc3ccccc3C)cc2C)n[nH]1 ZINC001177439928 1050219990 /nfs/dbraw/zinc/21/99/90/1050219990.db2.gz NUGCPDVOBCVICY-WCWDXBQESA-N 0 1 348.410 4.327 20 10 EICDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(F)cc2F)c1[O-] ZINC000181582719 1050221084 /nfs/dbraw/zinc/22/10/84/1050221084.db2.gz OWMOSNMUGZFOCN-SECBINFHSA-N 0 1 339.769 4.377 20 10 EICDMN CC[N@H+](Cc1ccccc1[O-])[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921382 1050233793 /nfs/dbraw/zinc/23/37/93/1050233793.db2.gz PNMCPEXFMKWRTE-GOSISDBHSA-N 0 1 340.423 4.070 20 10 EICDMN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921382 1050233802 /nfs/dbraw/zinc/23/38/02/1050233802.db2.gz PNMCPEXFMKWRTE-GOSISDBHSA-N 0 1 340.423 4.070 20 10 EICDMN C[C@@H](NC/C=C/c1ccc(N(C)C)cc1)c1nc2ccccc2n1C ZINC001177904496 1050325218 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O=C(C[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1[O-])c1ccc(F)cc1 ZINC001179925459 1050819753 /nfs/dbraw/zinc/81/97/53/1050819753.db2.gz PZFSZXUGJFJKQP-INIZCTEOSA-N 0 1 347.817 4.422 20 10 EICDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1Cl ZINC001180058272 1050871499 /nfs/dbraw/zinc/87/14/99/1050871499.db2.gz PHCADXPVMNJHPR-QGZVFWFLSA-N 0 1 330.859 4.431 20 10 EICDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1Cl ZINC001180058272 1050871502 /nfs/dbraw/zinc/87/15/02/1050871502.db2.gz PHCADXPVMNJHPR-QGZVFWFLSA-N 0 1 330.859 4.431 20 10 EICDMN C[N@@H+](Cc1ccoc1)Cc1cc(Cl)cc(Br)c1[O-] ZINC001180157360 1050904983 /nfs/dbraw/zinc/90/49/83/1050904983.db2.gz HIUXUJXQDNFDFQ-UHFFFAOYSA-N 0 1 330.609 4.033 20 10 EICDMN COc1ccc(O)c([C@H](C)NCc2nc(-c3ccsc3)oc2C)c1 ZINC000775364252 1051133678 /nfs/dbraw/zinc/13/36/78/1051133678.db2.gz QEYBKAXBGJWXOP-NSHDSACASA-N 0 1 344.436 4.277 20 10 EICDMN Oc1cc(F)c(Cl)cc1CN1CC(F)(c2ccccc2F)C1 ZINC001182228098 1051429607 /nfs/dbraw/zinc/42/96/07/1051429607.db2.gz 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CC[C@H](N[C@H](C)c1nnc2n1CCCCC2)c1cc(Cl)ccc1O ZINC000775492824 1051592444 /nfs/dbraw/zinc/59/24/44/1051592444.db2.gz SUVAPSGMFXLIAK-DOMZBBRYSA-N 0 1 348.878 4.165 20 10 EICDMN CC[C@@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000775493488 1051603340 /nfs/dbraw/zinc/60/33/40/1051603340.db2.gz TVTZBEYMFKIOOB-WBVHZDCISA-N 0 1 335.879 4.398 20 10 EICDMN CC[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1cc(Cl)ccc1[O-] ZINC000775508976 1051648600 /nfs/dbraw/zinc/64/86/00/1051648600.db2.gz HIFPDMIXSARIEU-CJNGLKHVSA-N 0 1 325.861 4.056 20 10 EICDMN Cc1ccc2[nH]ncc2c1Nc1ccccc1C(=O)c1ccncc1 ZINC001175527019 1051652458 /nfs/dbraw/zinc/65/24/58/1051652458.db2.gz BAJRHLFAPZLXND-UHFFFAOYSA-N 0 1 328.375 4.241 20 10 EICDMN CC[C@@H]([NH2+][C@H](C)Cc1ccncc1)c1cc(Br)ccc1[O-] ZINC000775512960 1051659811 /nfs/dbraw/zinc/65/98/11/1051659811.db2.gz ULTQWPBXNVNZBU-MLGOLLRUSA-N 0 1 349.272 4.222 20 10 EICDMN CC[C@@H]([NH2+][C@H](CCO)c1ccc(OC)cc1)c1cc(Cl)ccc1[O-] ZINC000775514205 1051660036 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CN(C)c1ccc(C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC001203586114 1051994502 /nfs/dbraw/zinc/99/45/02/1051994502.db2.gz LGDDWOVUORUGDW-UHFFFAOYSA-N 0 1 339.266 4.397 20 10 EICDMN COc1c([O-])c(C[N@@H+]2CCCCC[C@@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000774883495 1052243934 /nfs/dbraw/zinc/24/39/34/1052243934.db2.gz FZMUGJDVYKLOKE-CQSZACIVSA-N 0 1 346.383 4.019 20 10 EICDMN COc1c([O-])c(C[N@H+]2CCCCC[C@@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000774883495 1052243946 /nfs/dbraw/zinc/24/39/46/1052243946.db2.gz FZMUGJDVYKLOKE-CQSZACIVSA-N 0 1 346.383 4.019 20 10 EICDMN C[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccc2ccccc2c1[O-] ZINC000186094827 1052870723 /nfs/dbraw/zinc/87/07/23/1052870723.db2.gz WJMVHADWBZXORW-SHACYNPGSA-N 0 1 339.460 4.134 20 10 EICDMN C[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccc2ccccc2c1[O-] ZINC000186094860 1052870729 /nfs/dbraw/zinc/87/07/29/1052870729.db2.gz WJMVHADWBZXORW-JBEBIEQOSA-N 0 1 339.460 4.134 20 10 EICDMN Cc1csc(C2([NH2+]Cc3c([O-])ccc4ccncc43)CCCC2)n1 ZINC000764120330 1053032133 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C[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000853242477 1053657664 /nfs/dbraw/zinc/65/76/64/1053657664.db2.gz YYGDHLJWNRKWLN-SECBINFHSA-N 0 1 330.737 4.310 20 10 EICDMN COc1ccccc1[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775715317 1053663351 /nfs/dbraw/zinc/66/33/51/1053663351.db2.gz WUSRBDRMLPFGSH-LBPRGKRZSA-N 0 1 335.806 4.183 20 10 EICDMN CCC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000775715618 1053671845 /nfs/dbraw/zinc/67/18/45/1053671845.db2.gz HYNOPDPPZLXMFZ-XKQJLSEDSA-N 0 1 341.854 4.210 20 10 EICDMN CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H](O)c1ccc(C)cc1 ZINC000775717275 1053672722 /nfs/dbraw/zinc/67/27/22/1053672722.db2.gz OBJXODIKKGIIBI-KRWDZBQOSA-N 0 1 337.822 4.049 20 10 EICDMN C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)[C@@H](c2ccccc2)CO1 ZINC000775719620 1053682777 /nfs/dbraw/zinc/68/27/77/1053682777.db2.gz WFPNPBBBECFQHS-YVEFUNNKSA-N 0 1 335.806 4.147 20 10 EICDMN Oc1ccc2ccccc2c1C[N@H+]1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000853551506 1053686235 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C[C@H](NCc1noc2cc(F)ccc21)c1cc2c(cc1O)CCCC2 ZINC000866612495 1053806025 /nfs/dbraw/zinc/80/60/25/1053806025.db2.gz KCBYWSROVMASCT-LBPRGKRZSA-N 0 1 340.398 4.402 20 10 EICDMN CC[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(C(F)(F)F)cc1[O-] ZINC000866633134 1053813083 /nfs/dbraw/zinc/81/30/83/1053813083.db2.gz FZHBPEXRGGBCQH-ZIAGYGMSSA-N 0 1 339.361 4.183 20 10 EICDMN CC(=O)c1cc(F)cc(CN(Cc2cccc(F)c2)C2CCC2)c1O ZINC001197960336 1054037560 /nfs/dbraw/zinc/03/75/60/1054037560.db2.gz VBQVBBBYFQLYPS-UHFFFAOYSA-N 0 1 345.389 4.428 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@H+](Cc2cccc(F)c2)C2CCC2)c1[O-] ZINC001197960336 1054037571 /nfs/dbraw/zinc/03/75/71/1054037571.db2.gz VBQVBBBYFQLYPS-UHFFFAOYSA-N 0 1 345.389 4.428 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@@H+](Cc2cccc(F)c2)C2CCC2)c1[O-] ZINC001197960336 1054037578 /nfs/dbraw/zinc/03/75/78/1054037578.db2.gz VBQVBBBYFQLYPS-UHFFFAOYSA-N 0 1 345.389 4.428 20 10 EICDMN COc1ccc2nc(CN[C@H](C)c3ccc(N(C)C)cc3)sc2c1 ZINC000775836398 1054118084 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CC[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000858448817 1054493003 /nfs/dbraw/zinc/49/30/03/1054493003.db2.gz GOQDMNXQDXLATN-TZMCWYRMSA-N 0 1 347.768 4.086 20 10 EICDMN COc1ccc(O)c([C@@H](C)NC2(c3c(F)cccc3F)CCC2)c1 ZINC000858603111 1054531988 /nfs/dbraw/zinc/53/19/88/1054531988.db2.gz RERSDHQVLAWHPA-GFCCVEGCSA-N 0 1 333.378 4.409 20 10 EICDMN Cc1cc([O-])c(C[NH2+][C@H](C)C[C@@H](O)c2ccc(F)cc2)c(Cl)c1 ZINC001201788163 1054920018 /nfs/dbraw/zinc/92/00/18/1054920018.db2.gz VWMPWTVBVDZNNE-SJKOYZFVSA-N 0 1 337.822 4.095 20 10 EICDMN C[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000876656244 1054941544 /nfs/dbraw/zinc/94/15/44/1054941544.db2.gz ISNSZJDULUIDLU-JXFKEZNVSA-N 0 1 347.405 4.270 20 10 EICDMN COc1cccc(CN[C@H](C)c2nc(-c3ccccc3)cs2)c1O ZINC000107322169 1055221938 /nfs/dbraw/zinc/22/19/38/1055221938.db2.gz WXSANSRMCKBGQP-CYBMUJFWSA-N 0 1 340.448 4.375 20 10 EICDMN Cc1ccccc1[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)[C@@H](C)CO1 ZINC000742167804 1058530632 /nfs/dbraw/zinc/53/06/32/1058530632.db2.gz JBGAQWJYQCMHNI-AOMKIAJQSA-N 0 1 348.446 4.211 20 10 EICDMN Cc1ccccc1[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)[C@@H](C)CO1 ZINC000742167804 1058530650 /nfs/dbraw/zinc/53/06/50/1058530650.db2.gz JBGAQWJYQCMHNI-AOMKIAJQSA-N 0 1 348.446 4.211 20 10 EICDMN C[C@H](C[NH2+]Cc1c([O-])cccc1Cl)Oc1cccc(Cl)c1 ZINC000742380159 1058604193 /nfs/dbraw/zinc/60/41/93/1058604193.db2.gz LPIZGWUJXZDXIA-LLVKDONJSA-N 0 1 326.223 4.256 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@@H+](C)CCc2ccc(Cl)cc2)c1[O-] ZINC001168775074 1059774433 /nfs/dbraw/zinc/77/44/33/1059774433.db2.gz MHXFBIXVPXWAHT-UHFFFAOYSA-N 0 1 335.806 4.062 20 10 EICDMN C[C@H](NCc1ccc(F)cn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000766608757 1060660156 /nfs/dbraw/zinc/66/01/56/1060660156.db2.gz PVWFNTNDQVBCOU-AWEZNQCLSA-N 0 1 331.410 4.201 20 10 EICDMN Oc1c(Br)cccc1CNCC(F)(F)c1ccccc1 ZINC000788970206 1061135018 /nfs/dbraw/zinc/13/50/18/1061135018.db2.gz OOACNLHGVRXSMG-UHFFFAOYSA-N 0 1 342.183 4.036 20 10 EICDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000529644900 1032493132 /nfs/dbraw/zinc/49/31/32/1032493132.db2.gz QNJOWTDJCNSCKH-QGZVFWFLSA-N 0 1 347.256 4.181 20 10 EICDMN [O-]c1cc(Br)ccc1C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000529644899 1032493497 /nfs/dbraw/zinc/49/34/97/1032493497.db2.gz QNJOWTDJCNSCKH-KRWDZBQOSA-N 0 1 347.256 4.181 20 10 EICDMN CC[N@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])C1CCCC1 ZINC000728194887 1019323542 /nfs/dbraw/zinc/32/35/42/1019323542.db2.gz DHKIAJQFYMUFFM-UHFFFAOYSA-N 0 1 339.435 4.093 20 10 EICDMN CC[N@@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])C1CCCC1 ZINC000728194887 1019323557 /nfs/dbraw/zinc/32/35/57/1019323557.db2.gz DHKIAJQFYMUFFM-UHFFFAOYSA-N 0 1 339.435 4.093 20 10 EICDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](c2ccccn2)C2CCCC2)c1[O-] ZINC000376162758 1021636384 /nfs/dbraw/zinc/63/63/84/1021636384.db2.gz OGPNCBJFQFAXIM-IBGZPJMESA-N 0 1 342.414 4.150 20 10 EICDMN CC(C)CCOc1ccccc1CNCc1ccc2c(c1)CCO2 ZINC000725852510 1022106569 /nfs/dbraw/zinc/10/65/69/1022106569.db2.gz 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/nfs/dbraw/zinc/05/84/50/1048058450.db2.gz ZUUZGHUYKWKCSE-KYABYICQSA-N 0 1 335.875 4.352 20 10 EICDMN Cc1cc(C)c(NC(=O)C[NH2+]Cc2cc(Cl)c(C)cc2[O-])c(C)c1 ZINC000825417320 1048089639 /nfs/dbraw/zinc/08/96/39/1048089639.db2.gz LDPWFPAXPRLREZ-UHFFFAOYSA-N 0 1 346.858 4.008 20 10 EICDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000809688165 1048478038 /nfs/dbraw/zinc/47/80/38/1048478038.db2.gz CSZCTBRXPRASMD-UHFFFAOYSA-N 0 1 334.213 4.037 20 10 EICDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000809688165 1048478054 /nfs/dbraw/zinc/47/80/54/1048478054.db2.gz CSZCTBRXPRASMD-UHFFFAOYSA-N 0 1 334.213 4.037 20 10 EICDMN CCN(CC)c1ccc(CN2CCC[C@@H]2c2cccnc2)cc1F ZINC000809728758 1048481831 /nfs/dbraw/zinc/48/18/31/1048481831.db2.gz GXBCBRJYZNVRGC-LJQANCHMSA-N 0 1 327.447 4.404 20 10 EICDMN [O-]c1ccc(Cl)cc1C[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000809768731 1048501552 /nfs/dbraw/zinc/50/15/52/1048501552.db2.gz VJFPGYABIQMQTN-XJKSGUPXSA-N 0 1 349.883 4.046 20 10 EICDMN [O-]c1ccc(Cl)cc1C[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000809768731 1048501563 /nfs/dbraw/zinc/50/15/63/1048501563.db2.gz VJFPGYABIQMQTN-XJKSGUPXSA-N 0 1 349.883 4.046 20 10 EICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000809758164 1048520883 /nfs/dbraw/zinc/52/08/83/1048520883.db2.gz FIEZWBNHQUXPLA-QWHCGFSZSA-N 0 1 344.282 4.338 20 10 EICDMN CC1(C)CN(Cc2ccc(N3CCOCC3)cc2)[C@@H]1c1cccs1 ZINC000809782937 1048532352 /nfs/dbraw/zinc/53/23/52/1048532352.db2.gz LUVWKXWBDHKHNQ-LJQANCHMSA-N 0 1 342.508 4.168 20 10 EICDMN CCOC1(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])CCCC1 ZINC000815644809 1048569807 /nfs/dbraw/zinc/56/98/07/1048569807.db2.gz MMEXGQZMXKMQQD-GFCCVEGCSA-N 0 1 342.277 4.155 20 10 EICDMN CC[C@H](NCc1csc(C)n1)c1ccc(C(F)(F)F)cc1O ZINC000810211749 1048681046 /nfs/dbraw/zinc/68/10/46/1048681046.db2.gz VUJVXAGVWKXHOA-ZDUSSCGKSA-N 0 1 330.375 4.417 20 10 EICDMN CC[C@H]([NH2+]CCc1nccs1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810214582 1048684879 /nfs/dbraw/zinc/68/48/79/1048684879.db2.gz CAFRDLCLVOUQFU-LBPRGKRZSA-N 0 1 330.375 4.151 20 10 EICDMN CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C)o1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219984 1048688152 /nfs/dbraw/zinc/68/81/52/1048688152.db2.gz NXHTWRMZOFBINT-UKRRQHHQSA-N 0 1 343.345 4.087 20 10 EICDMN CC[C@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810221233 1048689828 /nfs/dbraw/zinc/68/98/28/1048689828.db2.gz CQWCOTMGBYPSEQ-UGWHAMFMSA-N 0 1 331.378 4.145 20 10 EICDMN CC[C@H]([NH2+]CC1(CCO)CCCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220969 1048690360 /nfs/dbraw/zinc/69/03/60/1048690360.db2.gz IHBRBFPADRGSQW-HNNXBMFYSA-N 0 1 345.405 4.395 20 10 EICDMN CC[C@@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810221232 1048690532 /nfs/dbraw/zinc/69/05/32/1048690532.db2.gz CQWCOTMGBYPSEQ-CXOJTPOUSA-N 0 1 331.378 4.145 20 10 EICDMN CC[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223500 1048692288 /nfs/dbraw/zinc/69/22/88/1048692288.db2.gz MKXHKQZWRKWMDN-XHDPSFHLSA-N 0 1 331.378 4.267 20 10 EICDMN C[C@@H](O)[C@H](NCc1ccc(N2CCCCC2)cc1)c1ccccc1F ZINC000846016872 1048786351 /nfs/dbraw/zinc/78/63/51/1048786351.db2.gz KEVLLNZUBGAVMX-IERDGZPVSA-N 0 1 342.458 4.028 20 10 EICDMN CCOc1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc(Cl)c1O ZINC000846056750 1048791469 /nfs/dbraw/zinc/79/14/69/1048791469.db2.gz ZKAARAGVLQAHTL-UHFFFAOYSA-N 0 1 342.222 4.093 20 10 EICDMN Cc1cccc(NC(=O)CN(C)Cc2ccc3ccccc3c2O)c1C ZINC000816482220 1048812162 /nfs/dbraw/zinc/81/21/62/1048812162.db2.gz YKEIXIBGIKCCAX-UHFFFAOYSA-N 0 1 348.446 4.233 20 10 EICDMN [O-]c1c(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)ccc2ccccc21 ZINC000816491799 1048813925 /nfs/dbraw/zinc/81/39/25/1048813925.db2.gz ZAPJQGYMPWNZJH-OAHLLOKOSA-N 0 1 339.357 4.089 20 10 EICDMN [O-]c1c(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)ccc2ccccc21 ZINC000816491799 1048813930 /nfs/dbraw/zinc/81/39/30/1048813930.db2.gz ZAPJQGYMPWNZJH-OAHLLOKOSA-N 0 1 339.357 4.089 20 10 EICDMN C[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)C[C@H](c2ccsc2)O1 ZINC000816516938 1048824193 /nfs/dbraw/zinc/82/41/93/1048824193.db2.gz XOOVJZOGGPXMEM-QLJPJBMISA-N 0 1 341.835 4.208 20 10 EICDMN [O-]c1c(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)ccc2ccccc12 ZINC000816531474 1048826010 /nfs/dbraw/zinc/82/60/10/1048826010.db2.gz SQPQRKIXXLPSSJ-SFHVURJKSA-N 0 1 327.811 4.022 20 10 EICDMN [O-]c1cc(F)c(Cl)cc1CNc1ccc(CC[NH+]2CCCC2)cc1 ZINC000816525967 1048831006 /nfs/dbraw/zinc/83/10/06/1048831006.db2.gz OZKCTEPQOKRPDX-UHFFFAOYSA-N 0 1 348.849 4.435 20 10 EICDMN C[C@@H](N[C@@H](Cc1ccccc1)c1nccn1C)c1ccc(N(C)C)cc1 ZINC000846207357 1048833468 /nfs/dbraw/zinc/83/34/68/1048833468.db2.gz NBJZKPGKZISCHM-UTKZUKDTSA-N 0 1 348.494 4.121 20 10 EICDMN C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816559275 1048835533 /nfs/dbraw/zinc/83/55/33/1048835533.db2.gz DBFBJUHDRFAMRQ-JLTOFOAXSA-N 0 1 339.410 4.286 20 10 EICDMN Cc1ccnc(C2CC[NH+](Cc3ccc4ccccc4c3[O-])CC2)n1 ZINC000816568277 1048836477 /nfs/dbraw/zinc/83/64/77/1048836477.db2.gz BPZBICTWTNCXMD-UHFFFAOYSA-N 0 1 333.435 4.023 20 10 EICDMN COCc1ccc([C@H]2CCC[N@H+]2Cc2cc(Cl)c(F)cc2[O-])o1 ZINC000816570863 1048838396 /nfs/dbraw/zinc/83/83/96/1048838396.db2.gz JTDNSHQLTIWHQK-OAHLLOKOSA-N 0 1 339.794 4.261 20 10 EICDMN Oc1c(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)ccc2ccccc21 ZINC000816610914 1048843351 /nfs/dbraw/zinc/84/33/51/1048843351.db2.gz CGYWLFYXHXZJJJ-IRXDYDNUSA-N 0 1 325.452 4.184 20 10 EICDMN [O-]c1c(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)ccc2ccccc21 ZINC000816610914 1048843352 /nfs/dbraw/zinc/84/33/52/1048843352.db2.gz CGYWLFYXHXZJJJ-IRXDYDNUSA-N 0 1 325.452 4.184 20 10 EICDMN [O-]c1c(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)ccc2ccccc21 ZINC000816610914 1048843355 /nfs/dbraw/zinc/84/33/55/1048843355.db2.gz CGYWLFYXHXZJJJ-IRXDYDNUSA-N 0 1 325.452 4.184 20 10 EICDMN COc1ccc(O)c(CN(Cc2ccco2)Cc2cccs2)c1 ZINC000179564515 1049674879 /nfs/dbraw/zinc/67/48/79/1049674879.db2.gz AJSODSGYUFDWCN-UHFFFAOYSA-N 0 1 329.421 4.258 20 10 EICDMN C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1cc(Cl)ccc1[O-] ZINC000813882916 1049831282 /nfs/dbraw/zinc/83/12/82/1049831282.db2.gz AFYSZQIIVXAGFI-OCCSQVGLSA-N 0 1 334.822 4.114 20 10 EICDMN C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1cc(Cl)ccc1[O-] ZINC000813882917 1049831622 /nfs/dbraw/zinc/83/16/22/1049831622.db2.gz AFYSZQIIVXAGFI-TZMCWYRMSA-N 0 1 334.822 4.114 20 10 EICDMN Cc1ccc2c(c1)C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])CC2 ZINC001172833039 1050168191 /nfs/dbraw/zinc/16/81/91/1050168191.db2.gz VMAYKOPSFFAXQI-QGZVFWFLSA-N 0 1 346.268 4.110 20 10 EICDMN CCC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC001204237368 1050615130 /nfs/dbraw/zinc/61/51/30/1050615130.db2.gz LTPVPRQCXJNEOC-CSMYWGQOSA-N 0 1 341.854 4.210 20 10 EICDMN CC1(C)C[N@H+](Cc2c([O-])cccc2Br)Cc2ccccc21 ZINC001179958165 1050846926 /nfs/dbraw/zinc/84/69/26/1050846926.db2.gz WIDRULLNJBJSHX-UHFFFAOYSA-N 0 1 346.268 4.448 20 10 EICDMN CC1(C)C[N@@H+](Cc2c([O-])cccc2Br)Cc2ccccc21 ZINC001179958165 1050846933 /nfs/dbraw/zinc/84/69/33/1050846933.db2.gz WIDRULLNJBJSHX-UHFFFAOYSA-N 0 1 346.268 4.448 20 10 EICDMN CC1(C)CN(Cc2c(O)cccc2Br)Cc2ccccc21 ZINC001179958165 1050846935 /nfs/dbraw/zinc/84/69/35/1050846935.db2.gz WIDRULLNJBJSHX-UHFFFAOYSA-N 0 1 346.268 4.448 20 10 EICDMN CCCCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])C1(C)C ZINC001179961650 1050848871 /nfs/dbraw/zinc/84/88/71/1050848871.db2.gz GWZSSMWHUUCXKC-HZPDHXFCSA-N 0 1 325.880 4.461 20 10 EICDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)cc1Cl ZINC001180058271 1050871030 /nfs/dbraw/zinc/87/10/30/1050871030.db2.gz PHCADXPVMNJHPR-KRWDZBQOSA-N 0 1 330.859 4.431 20 10 EICDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)cc1Cl ZINC001180058271 1050871039 /nfs/dbraw/zinc/87/10/39/1050871039.db2.gz PHCADXPVMNJHPR-KRWDZBQOSA-N 0 1 330.859 4.431 20 10 EICDMN CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2cc(F)cc(F)c2[O-])c1 ZINC001180202954 1050911361 /nfs/dbraw/zinc/91/13/61/1050911361.db2.gz FWNUZMGQFKTPHR-GOSISDBHSA-N 0 1 332.394 4.074 20 10 EICDMN COc1ccc(OCC[N@H+](C)Cc2ccc3ccccc3c2[O-])cc1 ZINC001180452994 1051005947 /nfs/dbraw/zinc/00/59/47/1051005947.db2.gz SWMYLZJCONKRSC-UHFFFAOYSA-N 0 1 337.419 4.065 20 10 EICDMN COc1ccc(OCC[N@@H+](C)Cc2ccc3ccccc3c2[O-])cc1 ZINC001180452994 1051005955 /nfs/dbraw/zinc/00/59/55/1051005955.db2.gz SWMYLZJCONKRSC-UHFFFAOYSA-N 0 1 337.419 4.065 20 10 EICDMN C[C@H](NCc1cnc(-c2ccccc2)nc1)c1ccc(N(C)C)cc1 ZINC000775361719 1051128168 /nfs/dbraw/zinc/12/81/68/1051128168.db2.gz FKJSWUMCUFSONJ-INIZCTEOSA-N 0 1 332.451 4.060 20 10 EICDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCCc2ccccc2CC1 ZINC001181818991 1051318226 /nfs/dbraw/zinc/31/82/26/1051318226.db2.gz RRHCOFNTBUFCGQ-UHFFFAOYSA-N 0 1 346.268 4.146 20 10 EICDMN [O-]c1cc(Br)ccc1C[N@H+]1CCCc2ccccc2CC1 ZINC001181818991 1051318234 /nfs/dbraw/zinc/31/82/34/1051318234.db2.gz RRHCOFNTBUFCGQ-UHFFFAOYSA-N 0 1 346.268 4.146 20 10 EICDMN Cc1cc([O-])c(C[N@@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)cc1Cl ZINC001182125451 1051395974 /nfs/dbraw/zinc/39/59/74/1051395974.db2.gz ABJDUDZZOZLSFG-CVEARBPZSA-N 0 1 347.886 4.341 20 10 EICDMN Cc1cc([O-])c(C[N@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)cc1Cl ZINC001182125451 1051395985 /nfs/dbraw/zinc/39/59/85/1051395985.db2.gz ABJDUDZZOZLSFG-CVEARBPZSA-N 0 1 347.886 4.341 20 10 EICDMN CN(Cc1cc(Cl)cc(F)c1O)[C@@H](C1CCC1)C(F)(F)F ZINC001237621599 1051456854 /nfs/dbraw/zinc/45/68/54/1051456854.db2.gz CVJJLHSENWUSAR-ZDUSSCGKSA-N 0 1 325.733 4.348 20 10 EICDMN CCCN1CCC([NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])CC1 ZINC000774110613 1051458211 /nfs/dbraw/zinc/45/82/11/1051458211.db2.gz FBXCKMRKZPGCQB-LLVKDONJSA-N 0 1 331.287 4.224 20 10 EICDMN CC[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1cc(Cl)ccc1[O-] ZINC000775482842 1051552821 /nfs/dbraw/zinc/55/28/21/1051552821.db2.gz CXMIDWIJSSMZQR-OAHLLOKOSA-N 0 1 333.815 4.058 20 10 EICDMN CC[C@H]([NH2+]Cc1cccnc1OC(C)C)c1cc(Cl)ccc1[O-] ZINC000775489803 1051581009 /nfs/dbraw/zinc/58/10/09/1051581009.db2.gz YAKHEMIEVRIRND-INIZCTEOSA-N 0 1 334.847 4.469 20 10 EICDMN CC[C@H]([NH2+][C@H](C)[C@@H](O)c1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000775506725 1051646753 /nfs/dbraw/zinc/64/67/53/1051646753.db2.gz CSJGXXABTZXTJT-DPZKZMLUSA-N 0 1 337.822 4.348 20 10 EICDMN CC[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cc(Cl)ccc1[O-] ZINC000775508978 1051648643 /nfs/dbraw/zinc/64/86/43/1051648643.db2.gz HIFPDMIXSARIEU-XJKSGUPXSA-N 0 1 325.861 4.056 20 10 EICDMN CC[C@@H](NCc1csc([C@H](C)OC)n1)c1cc(Cl)ccc1O ZINC000775511432 1051658031 /nfs/dbraw/zinc/65/80/31/1051658031.db2.gz FPPHGSIVHOPUTA-IINYFYTJSA-N 0 1 340.876 4.450 20 10 EICDMN CC[C@H]([NH2+][C@@H](CCO)c1ccc(OC)cc1)c1cc(Cl)ccc1[O-] ZINC000775514208 1051660181 /nfs/dbraw/zinc/66/01/81/1051660181.db2.gz RWOFOVXNIVCTKI-ROUUACIJSA-N 0 1 349.858 4.219 20 10 EICDMN C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])CCc2ccc(Cl)cc21 ZINC001182712509 1051681503 /nfs/dbraw/zinc/68/15/03/1051681503.db2.gz AQSIPJHTAVLHBG-NSHDSACASA-N 0 1 337.797 4.486 20 10 EICDMN CC[C@@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000775523202 1051690967 /nfs/dbraw/zinc/69/09/67/1051690967.db2.gz FCKXQNIDYHOQMB-MSOLQXFVSA-N 0 1 330.859 4.273 20 10 EICDMN CC[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1cc(Cl)ccc1[O-] ZINC000775522485 1051693894 /nfs/dbraw/zinc/69/38/94/1051693894.db2.gz RAKYHWJXOCEMLS-INIZCTEOSA-N 0 1 347.842 4.448 20 10 EICDMN [O-]c1c(C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)ccc(F)c1F ZINC001183045662 1051767865 /nfs/dbraw/zinc/76/78/65/1051767865.db2.gz MCNGYDSJYSBZLY-GFCCVEGCSA-N 0 1 339.332 4.328 20 10 EICDMN Cc1csc(C[C@H]2CCC[N@@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC001183854605 1051907701 /nfs/dbraw/zinc/90/77/01/1051907701.db2.gz IVJHFOHPFNZOCM-CYBMUJFWSA-N 0 1 336.888 4.265 20 10 EICDMN C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)c1cccc(Cl)c1F ZINC001193625275 1051957441 /nfs/dbraw/zinc/95/74/41/1051957441.db2.gz FZRRPFPDMAKBRO-SSDOTTSWSA-N 0 1 344.169 4.035 20 10 EICDMN CC(C)Cc1ccc([C@@H](C)NC(=O)c2cc(O)c(O)c(Cl)c2)cc1 ZINC001193633657 1051958048 /nfs/dbraw/zinc/95/80/48/1051958048.db2.gz DGGNRRUHTVNYAO-GFCCVEGCSA-N 0 1 347.842 4.441 20 10 EICDMN COc1ccccc1[C@H](C)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000774780957 1052094480 /nfs/dbraw/zinc/09/44/80/1052094480.db2.gz PUSNYHHUNQKWHB-NSHDSACASA-N 0 1 333.815 4.108 20 10 EICDMN Cc1cnc(NCc2cc(Cl)c3cccnc3c2O)c2[nH]ccc21 ZINC001168528354 1052617017 /nfs/dbraw/zinc/61/70/17/1052617017.db2.gz UJBXXUXDQRACKO-UHFFFAOYSA-N 0 1 338.798 4.391 20 10 EICDMN C[C@H](C[NH2+][C@H](C)c1cc(Br)ccc1[O-])c1ccccn1 ZINC000850483513 1053256283 /nfs/dbraw/zinc/25/62/83/1053256283.db2.gz YNNHCXAGXFBXRY-VXGBXAGGSA-N 0 1 335.245 4.004 20 10 EICDMN CC[C@H]([NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1)c1cc(Cl)ccc1[O-] ZINC000850541303 1053304249 /nfs/dbraw/zinc/30/42/49/1053304249.db2.gz UZSBXWWLTJDJEQ-WBAXXEDZSA-N 0 1 347.890 4.231 20 10 EICDMN CC[C@@H]([NH2+]CC1SCCS1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850562723 1053317331 /nfs/dbraw/zinc/31/73/31/1053317331.db2.gz XCFPSYSGFGBSLE-LLVKDONJSA-N 0 1 337.432 4.258 20 10 EICDMN CC[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cc(Cl)ccc1[O-] ZINC000850565551 1053319562 /nfs/dbraw/zinc/31/95/62/1053319562.db2.gz DCBLNUVHHAMVMM-ZDUSSCGKSA-N 0 1 333.806 4.027 20 10 EICDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000775651118 1053380478 /nfs/dbraw/zinc/38/04/78/1053380478.db2.gz ZKKPCGNHRNQNHF-LJQANCHMSA-N 0 1 338.838 4.452 20 10 EICDMN [O-]c1c(Cl)cccc1C[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000775651118 1053380487 /nfs/dbraw/zinc/38/04/87/1053380487.db2.gz ZKKPCGNHRNQNHF-LJQANCHMSA-N 0 1 338.838 4.452 20 10 EICDMN Oc1c(Cl)cccc1CN1CCn2cccc2[C@H]1c1ccccc1 ZINC000775651118 1053380502 /nfs/dbraw/zinc/38/05/02/1053380502.db2.gz ZKKPCGNHRNQNHF-LJQANCHMSA-N 0 1 338.838 4.452 20 10 EICDMN Cc1cc(C)c(NC(=O)[C@H](C)N(C)Cc2ccccc2O)c(Cl)c1 ZINC000109773665 1053422654 /nfs/dbraw/zinc/42/26/54/1053422654.db2.gz XQRDOHAMWBYJIS-AWEZNQCLSA-N 0 1 346.858 4.121 20 10 EICDMN Cc1cc(CN[C@H]2CCCc3c[nH]nc32)c(C)n1-c1cccc(C)c1 ZINC000765279806 1053490848 /nfs/dbraw/zinc/49/08/48/1053490848.db2.gz IRLXSFHESFKBRE-FQEVSTJZSA-N 0 1 334.467 4.293 20 10 EICDMN Oc1c(F)cc(Cl)cc1CN(Cc1cc[nH]n1)Cc1ccccc1 ZINC000775676041 1053532323 /nfs/dbraw/zinc/53/23/23/1053532323.db2.gz JNIOKJVXYIYTGB-UHFFFAOYSA-N 0 1 345.805 4.110 20 10 EICDMN COc1ccc(NCc2cc(Cl)cc(Cl)c2O)c(OC)c1 ZINC000083526305 1053633325 /nfs/dbraw/zinc/63/33/25/1053633325.db2.gz IGBWOFGJGZWKCH-UHFFFAOYSA-N 0 1 328.195 4.328 20 10 EICDMN C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000775715065 1053663910 /nfs/dbraw/zinc/66/39/10/1053663910.db2.gz BGEAEPGAOHNUKA-SJCJKPOMSA-N 0 1 335.806 4.147 20 10 EICDMN Cc1ncc([C@H](C)[NH2+][C@H](C)c2ccc(Br)cc2[O-])s1 ZINC000866455219 1053738288 /nfs/dbraw/zinc/73/82/88/1053738288.db2.gz KDJAIRYTMZHKGQ-BDAKNGLRSA-N 0 1 341.274 4.331 20 10 EICDMN C[C@@H]([NH2+]Cc1cccc2c1CCOC2)c1ccc2ccccc2c1[O-] ZINC000866478141 1053744428 /nfs/dbraw/zinc/74/44/28/1053744428.db2.gz FGZGYUSRDVEBPE-OAHLLOKOSA-N 0 1 333.431 4.469 20 10 EICDMN CC[C@H]([NH2+]Cc1cccc2c1CCOC2)c1cc(Cl)ccc1[O-] ZINC000866478928 1053747887 /nfs/dbraw/zinc/74/78/87/1053747887.db2.gz MRIPNFGBZOZMEW-SFHVURJKSA-N 0 1 331.843 4.359 20 10 EICDMN C[C@H]1C[C@@H](NCc2noc3ccc(F)cc32)c2c1c(F)ccc2O ZINC000866512355 1053760471 /nfs/dbraw/zinc/76/04/71/1053760471.db2.gz YLYMBRHQIMOPKB-TVQRCGJNSA-N 0 1 330.334 4.150 20 10 EICDMN C[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1cc(Br)ccc1[O-] ZINC000854225896 1053782712 /nfs/dbraw/zinc/78/27/12/1053782712.db2.gz MKOFOEDEWOCLJM-QFYYESIMSA-N 0 1 347.256 4.075 20 10 EICDMN Clc1ccc2c(c1)[C@@H](NCc1ccc3c(c1)CCO3)CCCO2 ZINC000765607928 1053802157 /nfs/dbraw/zinc/80/21/57/1053802157.db2.gz FTNBNWVEAICKSG-KRWDZBQOSA-N 0 1 329.827 4.278 20 10 EICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCCC1(F)F ZINC000857508180 1054287843 /nfs/dbraw/zinc/28/78/43/1054287843.db2.gz OCBUQTFXIVQQDC-JTQLQIEISA-N 0 1 338.181 4.141 20 10 EICDMN CCCOc1ccc(CNCc2cccnc2OC(C)C)cc1C ZINC001199320418 1054390440 /nfs/dbraw/zinc/39/04/40/1054390440.db2.gz MDBLTYLKXRYHOZ-UHFFFAOYSA-N 0 1 328.456 4.256 20 10 EICDMN Cc1nccnc1[C@@H](C)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000872132133 1054408471 /nfs/dbraw/zinc/40/84/71/1054408471.db2.gz BZZAUGPGUIMIOO-GOEBONIOSA-N 0 1 342.462 4.326 20 10 EICDMN C[C@@H]1C[C@H]1c1ccc(CNCc2c(O)cccc2Br)o1 ZINC000858100810 1054416928 /nfs/dbraw/zinc/41/69/28/1054416928.db2.gz NOUFQTSUBUHMEV-ZYHUDNBSSA-N 0 1 336.229 4.161 20 10 EICDMN Cc1cccnc1[C@@H](NCc1cc(F)c(N(C)C)cc1F)C(C)C ZINC000858137511 1054422365 /nfs/dbraw/zinc/42/23/65/1054422365.db2.gz AIGMIVQLUANTDM-SFHVURJKSA-N 0 1 333.426 4.221 20 10 EICDMN CC(C)([NH2+]Cc1c([O-])cccc1Br)c1cccs1 ZINC000858142386 1054423395 /nfs/dbraw/zinc/42/33/95/1054423395.db2.gz ZXEYMWGMALRDPX-UHFFFAOYSA-N 0 1 326.259 4.241 20 10 EICDMN C[C@@H]1CCCN(c2ccc(CNCc3ccnc(F)c3)cc2Cl)C1 ZINC000858161647 1054429815 /nfs/dbraw/zinc/42/98/15/1054429815.db2.gz CLEBLGPOXJSRBT-CQSZACIVSA-N 0 1 347.865 4.400 20 10 EICDMN CO[C@H](CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1)C(F)(F)F ZINC000777012949 1054453616 /nfs/dbraw/zinc/45/36/16/1054453616.db2.gz SNOYSOACHSPEAS-MLGOLLRUSA-N 0 1 348.384 4.044 20 10 EICDMN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(C(F)(F)F)nc1 ZINC000873186149 1054503747 /nfs/dbraw/zinc/50/37/47/1054503747.db2.gz GOFZLGXTAYGKJP-NSHDSACASA-N 0 1 341.352 4.156 20 10 EICDMN Cc1cc(CN[C@H](c2nccn2C)C2CC2)c(C)n1-c1ccccc1 ZINC000858541513 1054512169 /nfs/dbraw/zinc/51/21/69/1054512169.db2.gz ASYHATNNJGOKCY-FQEVSTJZSA-N 0 1 334.467 4.069 20 10 EICDMN COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825789335 1054787884 /nfs/dbraw/zinc/78/78/84/1054787884.db2.gz PMNHXRFCWPFKOQ-MRXNPFEDSA-N 0 1 335.806 4.279 20 10 EICDMN CC(C)Nc1ccc(Nc2c(F)cccc2N2CCN(C)CC2)cc1 ZINC001201499863 1054821591 /nfs/dbraw/zinc/82/15/91/1054821591.db2.gz RNFOHHXKPQBXSX-UHFFFAOYSA-N 0 1 342.462 4.141 20 10 EICDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000776208855 1054897847 /nfs/dbraw/zinc/89/78/47/1054897847.db2.gz IQBMOSYTXOEXDY-UHFFFAOYSA-N 0 1 348.233 4.175 20 10 EICDMN CCN(C)c1ccc([C@H](C)NCc2cn3cc(Cl)ccc3n2)cc1 ZINC000131552660 1055344055 /nfs/dbraw/zinc/34/40/55/1055344055.db2.gz UKVYFHQIAAUTKB-AWEZNQCLSA-N 0 1 342.874 4.295 20 10 EICDMN CCn1c2ccccc2nc1[C@H](C)NCc1ccc2c(c1)CCCO2 ZINC000921761396 1056464701 /nfs/dbraw/zinc/46/47/01/1056464701.db2.gz WJFRAQAEVMVZSD-HNNXBMFYSA-N 0 1 335.451 4.232 20 10 EICDMN Oc1c(Br)cccc1CN(CC(F)F)CC1CCC1 ZINC000770292147 1046172831 /nfs/dbraw/zinc/17/28/31/1046172831.db2.gz JLVVTDSETMHCOS-UHFFFAOYSA-N 0 1 334.204 4.022 20 10 EICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001203574234 1051879332 /nfs/dbraw/zinc/87/93/32/1051879332.db2.gz QPTVXVKGNFEFAV-NSHDSACASA-N 0 1 328.161 4.268 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](c3ccccc3)C[C@@H]2C)c1O ZINC001167398595 1022016477 /nfs/dbraw/zinc/01/64/77/1022016477.db2.gz TWHCAQQRGDIDIR-XJKSGUPXSA-N 0 1 327.399 4.112 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](c3ccccc3)C[C@@H]2C)c1[O-] ZINC001167398595 1022016494 /nfs/dbraw/zinc/01/64/94/1022016494.db2.gz TWHCAQQRGDIDIR-XJKSGUPXSA-N 0 1 327.399 4.112 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](c3ccccc3)C[C@@H]2C)c1[O-] ZINC001167398595 1022016513 /nfs/dbraw/zinc/01/65/13/1022016513.db2.gz TWHCAQQRGDIDIR-XJKSGUPXSA-N 0 1 327.399 4.112 20 10 EICDMN C[C@@H](NCc1ccn(C2CCCC2)n1)c1cc2c(cc1O)CCCC2 ZINC000186138315 1023099576 /nfs/dbraw/zinc/09/95/76/1023099576.db2.gz KYUKUESNPSITEA-OAHLLOKOSA-N 0 1 339.483 4.433 20 10 EICDMN CC[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000834844151 1023147874 /nfs/dbraw/zinc/14/78/74/1023147874.db2.gz NKRLUYGYSXEHGM-ONGXEEELSA-N 0 1 325.758 4.054 20 10 EICDMN C[C@@H](N[C@@H](C)c1cc(F)ccc1O)c1nccn1-c1ccccc1 ZINC000376787127 1023312762 /nfs/dbraw/zinc/31/27/62/1023312762.db2.gz JSROUVMNSPJSBR-UONOGXRCSA-N 0 1 325.387 4.129 20 10 EICDMN CSC1(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])CCC1 ZINC000193802537 1023726034 /nfs/dbraw/zinc/72/60/34/1023726034.db2.gz RTCIQKCSIABLJQ-JTQLQIEISA-N 0 1 330.291 4.091 20 10 EICDMN O=c1oc2ccc(C[N@H+](Cc3ccccc3O)C3CCCC3)cc2o1 ZINC000894016673 1033266120 /nfs/dbraw/zinc/26/61/20/1033266120.db2.gz HRVPPYJUGDZENG-UHFFFAOYSA-N 0 1 339.391 4.036 20 10 EICDMN COc1ccc(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])c(OC)c1 ZINC000327261305 1027694797 /nfs/dbraw/zinc/69/47/97/1027694797.db2.gz BQNZIQXAYLAPNQ-AWEZNQCLSA-N 0 1 337.419 4.413 20 10 EICDMN Cc1c2ccccc2n(C)c1CNCc1cn2cc(Cl)ccc2n1 ZINC000475201969 1029433210 /nfs/dbraw/zinc/43/32/10/1029433210.db2.gz KJOAZMXDWLOEQM-UHFFFAOYSA-N 0 1 338.842 4.078 20 10 EICDMN C[C@@H]([NH2+]Cc1ccccc1-n1cccn1)c1cc(Cl)ccc1[O-] ZINC000185229001 1030134382 /nfs/dbraw/zinc/13/43/82/1030134382.db2.gz XSFHBIALPLGDPU-CYBMUJFWSA-N 0 1 327.815 4.082 20 10 EICDMN CC[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1cc(Cl)cc(Cl)c1[O-] ZINC000530213575 1030223763 /nfs/dbraw/zinc/22/37/63/1030223763.db2.gz ALUWRZMGUIEBHD-ZIAGYGMSSA-N 0 1 329.271 4.024 20 10 EICDMN C[C@@H](N[C@@H](C)c1ncccc1F)c1ccc(Br)cc1O ZINC000528035386 1031049336 /nfs/dbraw/zinc/04/93/36/1031049336.db2.gz GYNINCQEWPAIAO-ZJUUUORDSA-N 0 1 339.208 4.101 20 10 EICDMN C[C@@H]([NH2+][C@@H](C)c1ncccc1F)c1ccc(Br)cc1[O-] ZINC000528035386 1031049357 /nfs/dbraw/zinc/04/93/57/1031049357.db2.gz GYNINCQEWPAIAO-ZJUUUORDSA-N 0 1 339.208 4.101 20 10 EICDMN C[C@H](N[C@@H](C)c1ncccc1F)c1cc(Br)ccc1O ZINC000528036281 1031049865 /nfs/dbraw/zinc/04/98/65/1031049865.db2.gz QUXBDXOQFZOUNJ-UWVGGRQHSA-N 0 1 339.208 4.101 20 10 EICDMN C[C@@H](N[C@H](C)c1ccc(Br)cn1)c1ccc(N(C)C)cc1 ZINC000280274411 1035226897 /nfs/dbraw/zinc/22/68/97/1035226897.db2.gz YCBMKSLOZPYNBX-CHWSQXEVSA-N 0 1 348.288 4.322 20 10 EICDMN [O-]c1ccc(Br)cc1C[NH2+]CCSc1ccccc1 ZINC000227435105 1035796317 /nfs/dbraw/zinc/79/63/17/1035796317.db2.gz SHBYJACGEDEEQF-UHFFFAOYSA-N 0 1 338.270 4.037 20 10 EICDMN CCS[C@H]1CCCC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000761199760 1036013277 /nfs/dbraw/zinc/01/32/77/1036013277.db2.gz RRFSOIZLWKEZEM-AWEZNQCLSA-N 0 1 329.893 4.162 20 10 EICDMN CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000761207057 1036052705 /nfs/dbraw/zinc/05/27/05/1036052705.db2.gz XIUFBHNRKACHFN-UONOGXRCSA-N 0 1 329.893 4.160 20 10 EICDMN CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000761207057 1036052724 /nfs/dbraw/zinc/05/27/24/1036052724.db2.gz XIUFBHNRKACHFN-UONOGXRCSA-N 0 1 329.893 4.160 20 10 EICDMN O=C(c1ccccc1)C1CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000027535122 1036936148 /nfs/dbraw/zinc/93/61/48/1036936148.db2.gz LGNQOQLANGBGOB-UHFFFAOYSA-N 0 1 346.430 4.035 20 10 EICDMN CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2[O-])CCO1 ZINC000273445291 1037466793 /nfs/dbraw/zinc/46/67/93/1037466793.db2.gz DXZQUMINBQPHNT-DETPVDSQSA-N 0 1 342.277 4.009 20 10 EICDMN CC[C@@H](N[C@@H](C)c1cc(Cl)ccc1O)c1nnc2n1CCCCC2 ZINC000273560447 1037505989 /nfs/dbraw/zinc/50/59/89/1037505989.db2.gz HYMZKRNLISVZHI-SWLSCSKDSA-N 0 1 348.878 4.165 20 10 EICDMN CCCN(Cc1ccccc1O)[C@H](C)c1nc(-c2cccs2)no1 ZINC000174374561 1038922380 /nfs/dbraw/zinc/92/23/80/1038922380.db2.gz XZRLZMPJYGTLEA-CYBMUJFWSA-N 0 1 343.452 4.477 20 10 EICDMN CC[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1cc(Br)ccc1[O-] ZINC000697702758 1040232008 /nfs/dbraw/zinc/23/20/08/1040232008.db2.gz WVFJORJHRCAHQR-JOYOIKCWSA-N 0 1 336.220 4.487 20 10 EICDMN [O-]c1ccc(Br)cc1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000152865050 1043004893 /nfs/dbraw/zinc/00/48/93/1043004893.db2.gz FGMXVZDBXUHQKN-UHFFFAOYSA-N 0 1 336.204 4.073 20 10 EICDMN CCCN(Cc1ccn(-c2cccc(F)c2)n1)Cc1ccccc1O ZINC000727830636 1043312687 /nfs/dbraw/zinc/31/26/87/1043312687.db2.gz FDFFQUMTFUFZNY-UHFFFAOYSA-N 0 1 339.414 4.129 20 10 EICDMN CC[C@H]([NH2+]CC[C@H]1CC1(F)F)c1cc(Br)ccc1[O-] ZINC000701943601 1043857870 /nfs/dbraw/zinc/85/78/70/1043857870.db2.gz IFXVUIOJDLLSHP-CABZTGNLSA-N 0 1 334.204 4.241 20 10 EICDMN Oc1cccc(Cl)c1CNCc1ccc(F)cc1Br ZINC000733325779 1044190093 /nfs/dbraw/zinc/19/00/93/1044190093.db2.gz XIASXMXCWJEXMC-UHFFFAOYSA-N 0 1 344.611 4.237 20 10 EICDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000691409381 1044659127 /nfs/dbraw/zinc/65/91/27/1044659127.db2.gz DZLKTMPBXGSXJJ-KRWDZBQOSA-N 0 1 332.241 4.396 20 10 EICDMN CC(C)(C)c1ccc([C@H](O)C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000734848386 1044700052 /nfs/dbraw/zinc/70/00/52/1044700052.db2.gz GCAKPCGBONSCMQ-GOSISDBHSA-N 0 1 333.859 4.166 20 10 EICDMN CC[C@H](C[NH2+]Cc1c([O-])cccc1Br)CC(F)(F)F ZINC000706854177 1044784546 /nfs/dbraw/zinc/78/45/46/1044784546.db2.gz SKHQDMSHRYISCJ-VIFPVBQESA-N 0 1 340.183 4.223 20 10 EICDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000735324279 1044795199 /nfs/dbraw/zinc/79/51/99/1044795199.db2.gz LUBJQQFZXZEMBV-CYBMUJFWSA-N 0 1 346.268 4.049 20 10 EICDMN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](n3ccnc3)C1)oc1ccccc12 ZINC000738147638 1045041265 /nfs/dbraw/zinc/04/12/65/1045041265.db2.gz FGVGDADWQZLRRG-INIZCTEOSA-N 0 1 347.418 4.325 20 10 EICDMN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](n3ccnc3)C1)oc1ccccc12 ZINC000738147638 1045041281 /nfs/dbraw/zinc/04/12/81/1045041281.db2.gz FGVGDADWQZLRRG-INIZCTEOSA-N 0 1 347.418 4.325 20 10 EICDMN CCCOc1ncccc1CNCc1ccc(N(CC)CC)c(F)c1 ZINC000740004554 1045175043 /nfs/dbraw/zinc/17/50/43/1045175043.db2.gz QHDQPRSQLNLHRC-UHFFFAOYSA-N 0 1 345.462 4.146 20 10 EICDMN Cc1ccc2nc(CNCc3ccc(N4CCC(C)CC4)cc3)cn2c1 ZINC000790534914 1045527157 /nfs/dbraw/zinc/52/71/57/1045527157.db2.gz XSQNEGHUVMDKTI-UHFFFAOYSA-N 0 1 348.494 4.169 20 10 EICDMN CC[C@@H]([NH2+][C@@H]1CCc2cnn(C(C)C)c2C1)c1cc(Cl)ccc1[O-] ZINC000790694990 1045559801 /nfs/dbraw/zinc/55/98/01/1045559801.db2.gz CIHQSUYZQJITDI-NVXWUHKLSA-N 0 1 347.890 4.421 20 10 EICDMN Oc1ccc(Cl)c(F)c1CNCc1c(F)c(F)cc(F)c1F ZINC000790972897 1045661081 /nfs/dbraw/zinc/66/10/81/1045661081.db2.gz KBOHJILTDQKDOX-UHFFFAOYSA-N 0 1 337.675 4.031 20 10 EICDMN COc1cccc(CN(C)Cc2ccc(Cl)cc2Cl)c1O ZINC000768168836 1045733130 /nfs/dbraw/zinc/73/31/30/1045733130.db2.gz OOWFHIUMRDAMAP-UHFFFAOYSA-N 0 1 326.223 4.340 20 10 EICDMN CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000792179668 1045874216 /nfs/dbraw/zinc/87/42/16/1045874216.db2.gz JUWMKUUYRYVMPG-NSHDSACASA-N 0 1 325.733 4.348 20 10 EICDMN CCc1ccc([C@@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])CCO2)cc1 ZINC000792188829 1045876557 /nfs/dbraw/zinc/87/65/57/1045876557.db2.gz LYRYOPNZSVZHIW-SFHVURJKSA-N 0 1 331.843 4.182 20 10 EICDMN C[C@@H](c1ccco1)[N@H+](Cc1cc(Br)ccc1[O-])C1CC1 ZINC000769102544 1045879284 /nfs/dbraw/zinc/87/92/84/1045879284.db2.gz PFVGCQCXXBVUFQ-NSHDSACASA-N 0 1 336.229 4.473 20 10 EICDMN C[C@@H](c1ccco1)[N@@H+](Cc1cc(Br)ccc1[O-])C1CC1 ZINC000769102544 1045879289 /nfs/dbraw/zinc/87/92/89/1045879289.db2.gz PFVGCQCXXBVUFQ-NSHDSACASA-N 0 1 336.229 4.473 20 10 EICDMN CC[N@@H+](Cc1cc(Br)cc(OC)c1[O-])[C@H](C)C(C)C ZINC000769153864 1045885235 /nfs/dbraw/zinc/88/52/35/1045885235.db2.gz QRLYOOYAJKBELC-LLVKDONJSA-N 0 1 330.266 4.030 20 10 EICDMN CC[N@H+](Cc1cc(Br)cc(OC)c1[O-])[C@H](C)C(C)C ZINC000769153864 1045885230 /nfs/dbraw/zinc/88/52/30/1045885230.db2.gz QRLYOOYAJKBELC-LLVKDONJSA-N 0 1 330.266 4.030 20 10 EICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000769483169 1045971753 /nfs/dbraw/zinc/97/17/53/1045971753.db2.gz GSBRKTCVHCDODQ-UHFFFAOYSA-N 0 1 326.145 4.393 20 10 EICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000769483169 1045971770 /nfs/dbraw/zinc/97/17/70/1045971770.db2.gz GSBRKTCVHCDODQ-UHFFFAOYSA-N 0 1 326.145 4.393 20 10 EICDMN Cc1noc(C)c1CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000153914431 1045968358 /nfs/dbraw/zinc/96/83/58/1045968358.db2.gz LHMLVKBINHRFLA-CYBMUJFWSA-N 0 1 331.435 4.272 20 10 EICDMN CCN1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1C ZINC000769470640 1045986575 /nfs/dbraw/zinc/98/65/75/1045986575.db2.gz MPHUSXWRLFSMHJ-RISCZKNCSA-N 0 1 331.287 4.004 20 10 EICDMN CCN1CC[C@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1C ZINC000769470640 1045986587 /nfs/dbraw/zinc/98/65/87/1045986587.db2.gz MPHUSXWRLFSMHJ-RISCZKNCSA-N 0 1 331.287 4.004 20 10 EICDMN [O-]c1c(Br)cccc1C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000769499863 1045995946 /nfs/dbraw/zinc/99/59/46/1045995946.db2.gz WZLCDKXDSSWZJR-KBPBESRZSA-N 0 1 342.302 4.015 20 10 EICDMN CCSCC[C@@H](C)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000769548113 1046015838 /nfs/dbraw/zinc/01/58/38/1046015838.db2.gz DZVFVOCFZLKFJC-LLVKDONJSA-N 0 1 332.307 4.118 20 10 EICDMN CC(C)(C)OC(=O)C1CCC([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000769710828 1046050744 /nfs/dbraw/zinc/05/07/44/1046050744.db2.gz PMGSEUIDNSJRFG-UHFFFAOYSA-N 0 1 339.863 4.036 20 10 EICDMN Cc1ncsc1CN(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792806263 1046070373 /nfs/dbraw/zinc/07/03/73/1046070373.db2.gz RNNDXMBPVQBLDT-UHFFFAOYSA-N 0 1 343.418 4.168 20 10 EICDMN COc1ccccc1[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])OC(C)C ZINC000769932685 1046114105 /nfs/dbraw/zinc/11/41/05/1046114105.db2.gz IGWYNSRCHMILHU-LJQANCHMSA-N 0 1 349.858 4.310 20 10 EICDMN C[C@@H](c1ccccn1)N(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793063144 1046133250 /nfs/dbraw/zinc/13/32/50/1046133250.db2.gz XVRZAVDEXFFIOX-ZDUSSCGKSA-N 0 1 337.389 4.359 20 10 EICDMN C[C@H](c1ccncc1)N(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793075412 1046135065 /nfs/dbraw/zinc/13/50/65/1046135065.db2.gz COHCDSWHPJDVOP-CYBMUJFWSA-N 0 1 337.389 4.359 20 10 EICDMN C[C@@H](c1cccnc1)N(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793075387 1046135162 /nfs/dbraw/zinc/13/51/62/1046135162.db2.gz BTWIJIYXRMYBGZ-ZDUSSCGKSA-N 0 1 337.389 4.359 20 10 EICDMN Cc1ccncc1CN(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793342299 1046201679 /nfs/dbraw/zinc/20/16/79/1046201679.db2.gz XKIBLDCVOOBAPS-UHFFFAOYSA-N 0 1 337.389 4.107 20 10 EICDMN CC1(C)CN(Cc2c(O)ccc3ccccc32)C[C@@H](C(F)(F)F)O1 ZINC000793707717 1046327899 /nfs/dbraw/zinc/32/78/99/1046327899.db2.gz VZBLGMFVMWAEDF-INIZCTEOSA-N 0 1 339.357 4.087 20 10 EICDMN COc1ccc(N(Cc2cccs2)Cc2n[nH]c(C(C)C)n2)cc1 ZINC000794411184 1046407190 /nfs/dbraw/zinc/40/71/90/1046407190.db2.gz ACJIBEHWBIUBMB-UHFFFAOYSA-N 0 1 342.468 4.205 20 10 EICDMN Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2ccc3ccccc3c2[O-])cc1 ZINC000786585864 1046851123 /nfs/dbraw/zinc/85/11/23/1046851123.db2.gz YWVRJNCZPJNKBN-VQIMIIECSA-N 0 1 335.447 4.108 20 10 EICDMN [O-]c1ccc2oc3c(c2c1C[N@@H+]1CCO[C@H]2CCCC[C@H]21)CCCC3 ZINC000917472973 1046898416 /nfs/dbraw/zinc/89/84/16/1046898416.db2.gz LNUHRHQDCYPHCH-APWZRJJASA-N 0 1 341.451 4.161 20 10 EICDMN [O-]c1ccc2oc3c(c2c1C[N@H+]1CCO[C@H]2CCCC[C@H]21)CCCC3 ZINC000917472973 1046898421 /nfs/dbraw/zinc/89/84/21/1046898421.db2.gz LNUHRHQDCYPHCH-APWZRJJASA-N 0 1 341.451 4.161 20 10 EICDMN C[C@@H](Cc1ccccc1)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807835760 1047519514 /nfs/dbraw/zinc/51/95/14/1047519514.db2.gz ADMHTYCQRUASIF-NSHDSACASA-N 0 1 338.234 4.194 20 10 EICDMN CCc1ccccc1CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839825 1047522263 /nfs/dbraw/zinc/52/22/63/1047522263.db2.gz MGJVSHMRJQCFOZ-UHFFFAOYSA-N 0 1 338.234 4.120 20 10 EICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccc2[nH]ccc21 ZINC000807837025 1047524152 /nfs/dbraw/zinc/52/41/52/1047524152.db2.gz YLPHCQQFFKNNSQ-UHFFFAOYSA-N 0 1 335.190 4.110 20 10 EICDMN COc1cccc(NCc2cc(Cl)cc(Cl)c2O)c1[N+](=O)[O-] ZINC000808088791 1047602940 /nfs/dbraw/zinc/60/29/40/1047602940.db2.gz BPUCHQOBUGYPRA-UHFFFAOYSA-N 0 1 343.166 4.228 20 10 EICDMN Oc1c(Cl)cc(Cl)cc1CNc1nccc(C(F)(F)F)n1 ZINC000808090350 1047605735 /nfs/dbraw/zinc/60/57/35/1047605735.db2.gz ZWBDKNPVLLTJSO-UHFFFAOYSA-N 0 1 338.116 4.120 20 10 EICDMN C[N@@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C[C@H]1CCCCO1 ZINC000918732337 1047624826 /nfs/dbraw/zinc/62/48/26/1047624826.db2.gz OBHNULYSGPCUCW-CQSZACIVSA-N 0 1 329.440 4.018 20 10 EICDMN C[N@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C[C@H]1CCCCO1 ZINC000918732337 1047624832 /nfs/dbraw/zinc/62/48/32/1047624832.db2.gz OBHNULYSGPCUCW-CQSZACIVSA-N 0 1 329.440 4.018 20 10 EICDMN COc1cc(Cl)cc(CN2CC[C@@H](C(F)(F)F)C[C@H]2C)c1O ZINC000824714670 1047908459 /nfs/dbraw/zinc/90/84/59/1047908459.db2.gz DUOKIRRTYZIWHC-MWLCHTKSSA-N 0 1 337.769 4.217 20 10 EICDMN COc1cc(Cl)cc(CN2CC[C@@H](C(F)(F)F)C[C@@H]2C)c1O ZINC000824714665 1047910140 /nfs/dbraw/zinc/91/01/40/1047910140.db2.gz DUOKIRRTYZIWHC-GXSJLCMTSA-N 0 1 337.769 4.217 20 10 EICDMN CC[C@H](N[C@H]1C[C@@H](C)n2ccnc21)c1ccc(C(F)(F)F)cc1O ZINC000825017097 1048019837 /nfs/dbraw/zinc/01/98/37/1048019837.db2.gz LLPMJEOAQGTFMZ-SWHYSGLUSA-N 0 1 339.361 4.354 20 10 EICDMN Cc1noc(C2CCC([NH2+][C@H](C)c3cc(Cl)cc(C)c3[O-])CC2)n1 ZINC000808706475 1048053438 /nfs/dbraw/zinc/05/34/38/1048053438.db2.gz KYPFVTDABPUHSX-NUYPLMSZSA-N 0 1 349.862 4.422 20 10 EICDMN CC(C)([NH2+]Cc1ccc(Br)cc1[O-])c1cccc(F)c1 ZINC000825287791 1048062123 /nfs/dbraw/zinc/06/21/23/1048062123.db2.gz MGTFXMOQKBYARE-UHFFFAOYSA-N 0 1 338.220 4.319 20 10 EICDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)c1[O-] ZINC000808697852 1048080980 /nfs/dbraw/zinc/08/09/80/1048080980.db2.gz XJFMRPPKPBXOCF-GDBMZVCRSA-N 0 1 333.859 4.171 20 10 EICDMN Cc1oc2c(ccc([O-])c2C[N@@H+](C)CC2CC2)c(=O)c1-c1ccccc1 ZINC000919941960 1048326531 /nfs/dbraw/zinc/32/65/31/1048326531.db2.gz HXTHYPUHXVLVAZ-UHFFFAOYSA-N 0 1 349.430 4.316 20 10 EICDMN COc1cc(CC[NH2+]Cc2cc(Cl)ccc2[O-])ccc1Cl ZINC000815163302 1048356854 /nfs/dbraw/zinc/35/68/54/1048356854.db2.gz NJMGOODGUOHIRS-UHFFFAOYSA-N 0 1 326.223 4.040 20 10 EICDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1ccccc1C1CC1 ZINC000809713634 1048491789 /nfs/dbraw/zinc/49/17/89/1048491789.db2.gz VUXBXBGKDHPORK-UHFFFAOYSA-N 0 1 332.241 4.322 20 10 EICDMN COc1cccc(CNCc2csc(-c3ccc(C)cc3)n2)c1O ZINC000809740360 1048512043 /nfs/dbraw/zinc/51/20/43/1048512043.db2.gz VLLYATPUGNNESF-UHFFFAOYSA-N 0 1 340.448 4.123 20 10 EICDMN CC[N@@H+](Cc1cc(C)cc(Br)c1[O-])[C@H](C)c1cccnc1 ZINC000809764374 1048523565 /nfs/dbraw/zinc/52/35/65/1048523565.db2.gz FCDMYIDXNGSTEB-CYBMUJFWSA-N 0 1 349.272 4.441 20 10 EICDMN COCC1(CC[NH2+][C@H](C)c2cc(Br)ccc2[O-])CCC1 ZINC000815642873 1048567908 /nfs/dbraw/zinc/56/79/08/1048567908.db2.gz NSYGZVIJDGQVPM-GFCCVEGCSA-N 0 1 342.277 4.012 20 10 EICDMN CC[C@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000815643279 1048567851 /nfs/dbraw/zinc/56/78/51/1048567851.db2.gz YKJZTUMQLIGSPN-HZMBPMFUSA-N 0 1 340.345 4.314 20 10 EICDMN C[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1cc(Cl)ccc1[O-] ZINC000815644498 1048568106 /nfs/dbraw/zinc/56/81/06/1048568106.db2.gz CYGOSMQWIJRSAX-SNVBAGLBSA-N 0 1 344.764 4.353 20 10 EICDMN O=c1[nH]c2cccc(NCc3cc(Cl)cc(Cl)c3O)c2o1 ZINC000810161444 1048667068 /nfs/dbraw/zinc/66/70/68/1048667068.db2.gz JYEBDHKPHXSSSH-UHFFFAOYSA-N 0 1 325.151 4.158 20 10 EICDMN CCC[C@H](CCO)C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220932 1048687658 /nfs/dbraw/zinc/68/76/58/1048687658.db2.gz HIRNMLIBQYNOEF-DOMZBBRYSA-N 0 1 333.394 4.250 20 10 EICDMN CC[C@@H]([NH2+]Cc1ccc(F)cn1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223959 1048691951 /nfs/dbraw/zinc/69/19/51/1048691951.db2.gz PLWDRNUOHWRVFB-CQSZACIVSA-N 0 1 328.309 4.186 20 10 EICDMN CC[C@H]([NH2+][C@@H](C)Cc1cc(C)n[nH]1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227772 1048695854 /nfs/dbraw/zinc/69/58/54/1048695854.db2.gz JBFVQMRVQIDGMG-BONVTDFDSA-N 0 1 341.377 4.114 20 10 EICDMN CC[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228047 1048696109 /nfs/dbraw/zinc/69/61/09/1048696109.db2.gz QHKLNYCPIJUIRP-JSGCOSHPSA-N 0 1 331.378 4.409 20 10 EICDMN CC[C@@H]([NH2+][C@@H](C)Cc1cc(C)n[nH]1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227774 1048696428 /nfs/dbraw/zinc/69/64/28/1048696428.db2.gz JBFVQMRVQIDGMG-ZUZCIYMTSA-N 0 1 341.377 4.114 20 10 EICDMN CC[C@@H]([NH2+]Cc1cccc(F)n1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228469 1048698044 /nfs/dbraw/zinc/69/80/44/1048698044.db2.gz VPHXFWFFAQYICO-CYBMUJFWSA-N 0 1 328.309 4.186 20 10 EICDMN CC[C@@H]([NH2+]C[C@@H](OC)C(F)(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000810232337 1048699665 /nfs/dbraw/zinc/69/96/65/1048699665.db2.gz YHHFNUMJUPUVMQ-ZYHUDNBSSA-N 0 1 345.283 4.029 20 10 EICDMN CC[C@H]([NH2+]CCCCn1ccnc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810210651 1048708702 /nfs/dbraw/zinc/70/87/02/1048708702.db2.gz AWIXUCCPPHCENH-HNNXBMFYSA-N 0 1 341.377 4.129 20 10 EICDMN CC[C@@H]([NH2+][C@@H](C(C)C)C(C)(C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810239761 1048721890 /nfs/dbraw/zinc/72/18/90/1048721890.db2.gz ZHFYVXYIYDUCSP-HIFRSBDPSA-N 0 1 333.394 4.247 20 10 EICDMN CC[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810240829 1048724400 /nfs/dbraw/zinc/72/44/00/1048724400.db2.gz GRLZYIFLNRHCQO-XUJVJEKNSA-N 0 1 331.378 4.124 20 10 EICDMN C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000810245639 1048725991 /nfs/dbraw/zinc/72/59/91/1048725991.db2.gz FGLSGGLQTDEJTM-YTJPUZGESA-N 0 1 347.458 4.362 20 10 EICDMN [O-]c1c(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)ccc2ccccc12 ZINC000816520375 1048820117 /nfs/dbraw/zinc/82/01/17/1048820117.db2.gz NSDCZPNYXUPWNL-HKUYNNGSSA-N 0 1 337.419 4.227 20 10 EICDMN [O-]c1c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)ccc2ccccc12 ZINC000816520375 1048820125 /nfs/dbraw/zinc/82/01/25/1048820125.db2.gz NSDCZPNYXUPWNL-HKUYNNGSSA-N 0 1 337.419 4.227 20 10 EICDMN Oc1c(CN2CCO[C@@H](c3cccc(F)c3)C2)ccc2ccccc21 ZINC000816502072 1048821898 /nfs/dbraw/zinc/82/18/98/1048821898.db2.gz MQRKUYZMPUUMMX-HXUWFJFHSA-N 0 1 337.394 4.258 20 10 EICDMN CC[C@H]([NH2+]CCC1(CO)CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000846105434 1048822920 /nfs/dbraw/zinc/82/29/20/1048822920.db2.gz VCRRMWRMIDFNKB-AWEZNQCLSA-N 0 1 331.378 4.004 20 10 EICDMN CC(C)[N@H+](CCc1nccs1)Cc1ccc2ccccc2c1[O-] ZINC000816516507 1048824678 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CCCOc1ccc(CN[C@@H](c2cccnc2)C(C)(C)CO)cc1C ZINC000877551160 1055079645 /nfs/dbraw/zinc/07/96/45/1055079645.db2.gz TWLVPEONSMZWGS-FQEVSTJZSA-N 0 1 342.483 4.028 20 10 EICDMN CC(C)(C)OC(=O)c1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000776256706 1055092031 /nfs/dbraw/zinc/09/20/31/1055092031.db2.gz GUDXVXISUBARGM-UHFFFAOYSA-N 0 1 347.842 4.291 20 10 EICDMN CC[C@@H]([NH2+]CCCCSC)c1cc(Br)ccc1[O-] ZINC000119185500 1055127295 /nfs/dbraw/zinc/12/72/95/1055127295.db2.gz GSCBWIAPAXOMQY-CYBMUJFWSA-N 0 1 332.307 4.339 20 10 EICDMN Cc1cc([O-])c(C[NH2+]CCc2cccc(C(F)(F)F)n2)cc1Cl ZINC000826003334 1055151655 /nfs/dbraw/zinc/15/16/55/1055151655.db2.gz KMSONRMVMVENPP-UHFFFAOYSA-N 0 1 344.764 4.100 20 10 EICDMN Cc1cccc(CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)n1 ZINC000127214212 1055352704 /nfs/dbraw/zinc/35/27/04/1055352704.db2.gz FLNHFSKHCZKEME-INIZCTEOSA-N 0 1 327.447 4.370 20 10 EICDMN [O-]c1ccccc1C[N@H+](CCc1ccc2c(c1)CCO2)C1CCCC1 ZINC000743848057 1059145273 /nfs/dbraw/zinc/14/52/73/1059145273.db2.gz NMBWFTPIHZKLGP-UHFFFAOYSA-N 0 1 337.463 4.314 20 10 EICDMN [O-]c1ccccc1C[N@@H+](CCc1ccc2c(c1)CCO2)C1CCCC1 ZINC000743848057 1059145299 /nfs/dbraw/zinc/14/52/99/1059145299.db2.gz NMBWFTPIHZKLGP-UHFFFAOYSA-N 0 1 337.463 4.314 20 10 EICDMN CC[C@H](C[NH2+]Cc1ccc(Br)cc1[O-])CC(F)(F)F ZINC000691429581 1060953458 /nfs/dbraw/zinc/95/34/58/1060953458.db2.gz QOFITAHVYIPDKV-VIFPVBQESA-N 0 1 340.183 4.223 20 10 EICDMN Cc1ccc(O)c([C@H](C)NCc2cc(F)ccc2Br)c1 ZINC000038039089 213196234 /nfs/dbraw/zinc/19/62/34/213196234.db2.gz FNUBNLJXRICHNG-NSHDSACASA-N 0 1 338.220 4.453 20 10 EICDMN C[C@@H]([NH2+][C@@H]1COCc2ccccc21)c1ccc(Br)cc1[O-] ZINC000841762553 1032643384 /nfs/dbraw/zinc/64/33/84/1032643384.db2.gz XONNAOIOJHDCCI-BDJLRTHQSA-N 0 1 348.240 4.077 20 10 EICDMN CCOC[C@@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000748095666 1020303346 /nfs/dbraw/zinc/30/33/46/1020303346.db2.gz SYVAQNOTFXRUFO-CQSZACIVSA-N 0 1 325.408 4.150 20 10 EICDMN CCOC[C@@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000748095666 1020303353 /nfs/dbraw/zinc/30/33/53/1020303353.db2.gz SYVAQNOTFXRUFO-CQSZACIVSA-N 0 1 325.408 4.150 20 10 EICDMN COc1cc(NCc2cc(Cl)cc(Cl)c2O)cc(OC)c1 ZINC000083526318 1021476613 /nfs/dbraw/zinc/47/66/13/1021476613.db2.gz MHEOXUDLOJVAJF-UHFFFAOYSA-N 0 1 328.195 4.328 20 10 EICDMN C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(F)cc1OC(F)F ZINC000160558721 1022241546 /nfs/dbraw/zinc/24/15/46/1022241546.db2.gz WHFUSWIVWLQHBP-LBPRGKRZSA-N 0 1 338.373 4.344 20 10 EICDMN CN1CCN(c2ccc(CNc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC001167431120 1022390406 /nfs/dbraw/zinc/39/04/06/1022390406.db2.gz IBZGZRUEGNMUOL-UHFFFAOYSA-N 0 1 337.511 4.348 20 10 EICDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1CCCc2sccc21 ZINC000706834351 1022887276 /nfs/dbraw/zinc/88/72/76/1022887276.db2.gz ZGVHTFUSGXNHJG-ZDUSSCGKSA-N 0 1 338.270 4.383 20 10 EICDMN CN(C)c1ccc(CN(C)Cn2c3ccccc3oc2=S)cc1 ZINC000022366561 1022930613 /nfs/dbraw/zinc/93/06/13/1022930613.db2.gz STWNBPDLDKJQFF-UHFFFAOYSA-N 0 1 327.453 4.119 20 10 EICDMN C[N@H+](CCCc1ccccc1)Cc1ccc(Br)cc1[O-] 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CC[C@H]([NH2+]CC[C@H]1CCCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000527924168 1030917103 /nfs/dbraw/zinc/91/71/03/1030917103.db2.gz HJSRLAAQNMJIJA-DOMZBBRYSA-N 0 1 331.378 4.268 20 10 EICDMN COc1cccc([C@@H](C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])OC)c1 ZINC000527932765 1030975067 /nfs/dbraw/zinc/97/50/67/1030975067.db2.gz YUDGCGNRUHNCQR-KZULUSFZSA-N 0 1 335.831 4.093 20 10 EICDMN CCc1ccc([C@@H](COC)N[C@@H](CC)c2ccc(N(C)C)cc2)o1 ZINC000165263594 1036742947 /nfs/dbraw/zinc/74/29/47/1036742947.db2.gz WGJAWWRLJAJGIW-RBUKOAKNSA-N 0 1 330.472 4.336 20 10 EICDMN C[C@@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1cc(Br)ccc1[O-] ZINC000757654743 1039859816 /nfs/dbraw/zinc/85/98/16/1039859816.db2.gz CSOQANNFVNXKJR-UPJWGTAASA-N 0 1 342.277 4.011 20 10 EICDMN C[N@@H+](Cc1ccc(F)cc1)Cc1c([O-])cc(Br)cc1F ZINC001233026946 1040083160 /nfs/dbraw/zinc/08/31/60/1040083160.db2.gz IYHSQAFAGMAGKD-UHFFFAOYSA-N 0 1 342.183 4.065 20 10 EICDMN CCOc1ccccc1CNCc1ccc(N(CC)CC)c(F)c1 ZINC000731360965 1043741301 /nfs/dbraw/zinc/74/13/01/1043741301.db2.gz RSXYRDQUBRAERH-UHFFFAOYSA-N 0 1 330.447 4.360 20 10 EICDMN Oc1ccccc1CN(CCOc1cccc(F)c1)Cc1ccco1 ZINC000731845399 1043833783 /nfs/dbraw/zinc/83/37/83/1043833783.db2.gz ZSXHXNYXEFYJNQ-UHFFFAOYSA-N 0 1 341.382 4.206 20 10 EICDMN CC[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1cc(Br)ccc1[O-] ZINC000701943602 1043858105 /nfs/dbraw/zinc/85/81/05/1043858105.db2.gz IFXVUIOJDLLSHP-JOYOIKCWSA-N 0 1 334.204 4.241 20 10 EICDMN CC[C@H]1C[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C[C@@H](C)O1 ZINC000732184032 1043881382 /nfs/dbraw/zinc/88/13/82/1043881382.db2.gz DLXOFCQFJJDIPX-KGLIPLIRSA-N 0 1 329.440 4.017 20 10 EICDMN CC[C@H]1C[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C[C@@H](C)O1 ZINC000732184032 1043881385 /nfs/dbraw/zinc/88/13/85/1043881385.db2.gz DLXOFCQFJJDIPX-KGLIPLIRSA-N 0 1 329.440 4.017 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000733324627 1044188826 /nfs/dbraw/zinc/18/88/26/1044188826.db2.gz OTCJRWJYUOFBGH-UHFFFAOYSA-N 0 1 345.748 4.277 20 10 EICDMN COc1cccc([C@H](C)[NH2+]Cc2cc(Br)ccc2[O-])c1 ZINC000227438547 1044435526 /nfs/dbraw/zinc/43/55/26/1044435526.db2.gz AFUBXHAXTQPFMT-NSHDSACASA-N 0 1 336.229 4.014 20 10 EICDMN [O-]c1cccc(Br)c1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000706843309 1044790152 /nfs/dbraw/zinc/79/01/52/1044790152.db2.gz QNPQVHIJWLRIHK-KRWDZBQOSA-N 0 1 332.241 4.396 20 10 EICDMN CCN(CC)c1ccc(CNCc2cccc([N+](=O)[O-])c2C)cc1F ZINC000791000460 1045653132 /nfs/dbraw/zinc/65/31/32/1045653132.db2.gz WSNRSCDLBZPDCP-UHFFFAOYSA-N 0 1 345.418 4.178 20 10 EICDMN COc1cccc(C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000768162810 1045730475 /nfs/dbraw/zinc/73/04/75/1045730475.db2.gz JCEHSTFZMKFZLI-UHFFFAOYSA-N 0 1 326.223 4.340 20 10 EICDMN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])Cc1ccccc1[N+](=O)[O-] ZINC000768338073 1045793034 /nfs/dbraw/zinc/79/30/34/1045793034.db2.gz YUUSVJRSIZKJTH-UHFFFAOYSA-N 0 1 341.194 4.239 20 10 EICDMN COc1cc(CN2CCC[C@@H]2c2ccc(F)c(F)c2)c(O)cc1C ZINC000768449722 1045808241 /nfs/dbraw/zinc/80/82/41/1045808241.db2.gz 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CCN(Cc1ccccn1)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792825435 1046073214 /nfs/dbraw/zinc/07/32/14/1046073214.db2.gz VMPKCADNXRCNTF-UHFFFAOYSA-N 0 1 337.389 4.189 20 10 EICDMN COc1ccc(O)c([C@@H](C)NCc2nc(-c3ccccc3)cs2)c1 ZINC000769788770 1046074861 /nfs/dbraw/zinc/07/48/61/1046074861.db2.gz YFLOQHPHSINIEQ-CYBMUJFWSA-N 0 1 340.448 4.375 20 10 EICDMN C[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1)N(C)C)c1cc(Cl)ccc1[O-] ZINC000769984984 1046122402 /nfs/dbraw/zinc/12/24/02/1046122402.db2.gz BOSDZYLJUKLZJX-CKFHNAJUSA-N 0 1 332.875 4.388 20 10 EICDMN C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000793230030 1046177320 /nfs/dbraw/zinc/17/73/20/1046177320.db2.gz CLYPFUVTQPSTSX-OIBJUYFYSA-N 0 1 328.161 4.472 20 10 EICDMN C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000793230029 1046177353 /nfs/dbraw/zinc/17/73/53/1046177353.db2.gz CLYPFUVTQPSTSX-GMSGAONNSA-N 0 1 328.161 4.472 20 10 EICDMN C[C@@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1ccc2ccccc2c1[O-] ZINC000793566003 1046293497 /nfs/dbraw/zinc/29/34/97/1046293497.db2.gz JLUOHZNPGJJKSZ-GFCCVEGCSA-N 0 1 344.361 4.393 20 10 EICDMN CC[C@@H](NCc1ccn(Cc2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000793567673 1046296468 /nfs/dbraw/zinc/29/64/68/1046296468.db2.gz MIAKUWCSJYIWSC-JOCHJYFZSA-N 0 1 348.494 4.238 20 10 EICDMN CN(C)c1ccc(CN(Cc2cnc(C(C)(C)C)nc2)C2CC2)cc1 ZINC000793571022 1046307163 /nfs/dbraw/zinc/30/71/63/1046307163.db2.gz JNDOMNSDQAHECI-UHFFFAOYSA-N 0 1 338.499 4.005 20 10 EICDMN COc1cc(Cl)cc(C[N@@H+](C)Cc2ccc(Cl)s2)c1O ZINC000761183529 1046846244 /nfs/dbraw/zinc/84/62/44/1046846244.db2.gz NEGZSMALSNXICL-UHFFFAOYSA-N 0 1 332.252 4.401 20 10 EICDMN COc1cc(Cl)cc(CN(C)Cc2ccc(Cl)s2)c1O ZINC000761183529 1046846246 /nfs/dbraw/zinc/84/62/46/1046846246.db2.gz NEGZSMALSNXICL-UHFFFAOYSA-N 0 1 332.252 4.401 20 10 EICDMN Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])c1 ZINC000786576371 1046852320 /nfs/dbraw/zinc/85/23/20/1046852320.db2.gz UBDKOJRPFXADOT-QFBILLFUSA-N 0 1 335.447 4.108 20 10 EICDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)C2CCC(F)(F)CC2)c1[O-] ZINC000805839024 1047028060 /nfs/dbraw/zinc/02/80/60/1047028060.db2.gz BQPHBSBHKCSVRL-UHFFFAOYSA-N 0 1 331.790 4.258 20 10 EICDMN CCN(CC)c1ccc(CN[C@@H]2CCc3ccc(Cl)nc32)cc1 ZINC000788545875 1047220716 /nfs/dbraw/zinc/22/07/16/1047220716.db2.gz KGJKCNRHELKQOV-QGZVFWFLSA-N 0 1 329.875 4.358 20 10 EICDMN Cc1cc(O)ccc1NS(=O)(=O)c1cc(C(C)C)ccc1Cl ZINC000790068520 1047509208 /nfs/dbraw/zinc/50/92/08/1047509208.db2.gz LXDBQSZZOUZOND-UHFFFAOYSA-N 0 1 339.844 4.278 20 10 EICDMN CCCCS[C@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837130 1047522602 /nfs/dbraw/zinc/52/26/02/1047522602.db2.gz CFOREIUWVDWNIF-SECBINFHSA-N 0 1 336.284 4.237 20 10 EICDMN Cc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c(F)cc1F ZINC000807838065 1047523628 /nfs/dbraw/zinc/52/36/28/1047523628.db2.gz JYFZLGIFNZZBDL-UHFFFAOYSA-N 0 1 346.160 4.216 20 10 EICDMN O=C(CCCc1cccs1)NCc1cc(Cl)cc(Cl)c1O ZINC000807837791 1047523961 /nfs/dbraw/zinc/52/39/61/1047523961.db2.gz DEDIQXCLASYJJX-UHFFFAOYSA-N 0 1 344.263 4.400 20 10 EICDMN O=C1CCN1c1cccc(NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000790485430 1047597040 /nfs/dbraw/zinc/59/70/40/1047597040.db2.gz HJFJMGUCTKGMJM-UHFFFAOYSA-N 0 1 337.206 4.048 20 10 EICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824697019 1047896987 /nfs/dbraw/zinc/89/69/87/1047896987.db2.gz XVDNVRQCUGAABT-NUEKZKHPSA-N 0 1 344.282 4.215 20 10 EICDMN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824715882 1047908893 /nfs/dbraw/zinc/90/88/93/1047908893.db2.gz QBJURSJQIXJLQS-VWPQPMDRSA-N 0 1 337.463 4.185 20 10 EICDMN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824715882 1047908927 /nfs/dbraw/zinc/90/89/27/1047908927.db2.gz QBJURSJQIXJLQS-VWPQPMDRSA-N 0 1 337.463 4.185 20 10 EICDMN COC[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1cccc(Cl)c1 ZINC000808454874 1047918802 /nfs/dbraw/zinc/91/88/02/1047918802.db2.gz QHOAVQQBOXMDGT-HNNXBMFYSA-N 0 1 326.223 4.176 20 10 EICDMN c1cc(Sc2ccccn2)oc1CNCc1ccc2c(c1)CCO2 ZINC000814291931 1047943280 /nfs/dbraw/zinc/94/32/80/1047943280.db2.gz FZSQWRGNDDTTJL-UHFFFAOYSA-N 0 1 338.432 4.051 20 10 EICDMN COc1cc(CN(C)Cc2cccc(C)n2)c(O)c(C(C)(C)C)c1 ZINC000824856525 1047975855 /nfs/dbraw/zinc/97/58/55/1047975855.db2.gz YXAHTDBYJIYIJI-UHFFFAOYSA-N 0 1 328.456 4.034 20 10 EICDMN Fc1cc2c(c(F)c1F)[C@@H](NCc1ccc(N3CCCC3)cc1)CC2 ZINC000825046876 1048024848 /nfs/dbraw/zinc/02/48/48/1048024848.db2.gz YWKIREVTJTXJSF-KRWDZBQOSA-N 0 1 346.396 4.481 20 10 EICDMN CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cc(Cl)c(C)cc2[O-])c1 ZINC000825084246 1048033422 /nfs/dbraw/zinc/03/34/22/1048033422.db2.gz MTKOJYRISVXURN-GFCCVEGCSA-N 0 1 332.831 4.163 20 10 EICDMN COC(=O)CC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])c1ccccc1 ZINC000825214942 1048049413 /nfs/dbraw/zinc/04/94/13/1048049413.db2.gz NRDROYICIMJTBN-QGZVFWFLSA-N 0 1 347.842 4.138 20 10 EICDMN Cc1cc(Cl)cc([C@@H](C)NCc2nc3cc(F)ccc3n2C)c1O ZINC000808707338 1048053912 /nfs/dbraw/zinc/05/39/12/1048053912.db2.gz MDCCRVKOBYVUGQ-LLVKDONJSA-N 0 1 347.821 4.231 20 10 EICDMN CCN(C)c1ccc(CN[C@H](COC)c2cccc(Cl)c2)cc1 ZINC000815119662 1048335384 /nfs/dbraw/zinc/33/53/84/1048335384.db2.gz CQAOWUXTUMAXJF-LJQANCHMSA-N 0 1 332.875 4.273 20 10 EICDMN CCc1nocc1CNCc1ccc(N(C)C2CCCCC2)cc1 ZINC000815120121 1048335699 /nfs/dbraw/zinc/33/56/99/1048335699.db2.gz BMBQEZPLLYGFJK-UHFFFAOYSA-N 0 1 327.472 4.296 20 10 EICDMN [O-]c1c(Cl)cccc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000809698572 1048458055 /nfs/dbraw/zinc/45/80/55/1048458055.db2.gz CSYZDCGSKXZIFJ-AOIWGVFYSA-N 0 1 343.854 4.050 20 10 EICDMN COc1cc(Cl)cc(CNCc2c(F)cccc2SC)c1O ZINC000809689257 1048476873 /nfs/dbraw/zinc/47/68/73/1048476873.db2.gz MDKMRZURPVEXIH-UHFFFAOYSA-N 0 1 341.835 4.205 20 10 EICDMN CC[C@@H](CSC)[N@@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000809767638 1048499992 /nfs/dbraw/zinc/49/99/92/1048499992.db2.gz PVDQBACFUBITNL-LBPRGKRZSA-N 0 1 332.307 4.037 20 10 EICDMN Cc1cc(Cl)cc(CN[C@H](C)c2nccn2-c2ccccc2)c1O ZINC000809769072 1048502081 /nfs/dbraw/zinc/50/20/81/1048502081.db2.gz GIVBZLZTNPFJLL-CQSZACIVSA-N 0 1 341.842 4.391 20 10 EICDMN COc1cccc(CNCc2ccc(F)c(Cl)c2Cl)c1O ZINC000809739701 1048510900 /nfs/dbraw/zinc/51/09/00/1048510900.db2.gz BUGOAIPCBSZTAU-UHFFFAOYSA-N 0 1 330.186 4.137 20 10 EICDMN Oc1ccccc1[C@@H](CCc1ccccc1)NCc1ncccc1F ZINC000815598307 1048530671 /nfs/dbraw/zinc/53/06/71/1048530671.db2.gz RHGZRFJZQCVSQT-LJQANCHMSA-N 0 1 336.410 4.390 20 10 EICDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000844937069 1048553643 /nfs/dbraw/zinc/55/36/43/1048553643.db2.gz LIYSAXHDGIKILD-MRXNPFEDSA-N 0 1 335.488 4.282 20 10 EICDMN CC[C@H]([NH2+][C@@H](C)c1cn(C)nc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215213 1048684651 /nfs/dbraw/zinc/68/46/51/1048684651.db2.gz AMJBNRHINMGZKE-BONVTDFDSA-N 0 1 341.377 4.255 20 10 EICDMN CC[C@@H]([NH2+]CC1(O)CCCCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810214634 1048684761 /nfs/dbraw/zinc/68/47/61/1048684761.db2.gz DNXNNCWHZJTGQQ-CQSZACIVSA-N 0 1 331.378 4.147 20 10 EICDMN CC[C@H]([NH2+]CC1(O)CCCCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810214633 1048684900 /nfs/dbraw/zinc/68/49/00/1048684900.db2.gz DNXNNCWHZJTGQQ-AWEZNQCLSA-N 0 1 331.378 4.147 20 10 EICDMN CC[C@H]([NH2+]C[C@H](CCO)CC(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810221069 1048690942 /nfs/dbraw/zinc/69/09/42/1048690942.db2.gz KLMPPZORGMAKCN-CJNGLKHVSA-N 0 1 347.421 4.496 20 10 EICDMN CC[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223979 1048692395 /nfs/dbraw/zinc/69/23/95/1048692395.db2.gz PRPHONARGDQHHP-WHOFXGATSA-N 0 1 331.378 4.003 20 10 EICDMN CC[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810224909 1048692956 /nfs/dbraw/zinc/69/29/56/1048692956.db2.gz ZTWOCZLNFGVFFE-CVEARBPZSA-N 0 1 339.357 4.185 20 10 EICDMN CC[C@@H]([NH2+]CC1([C@H](O)C(C)C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810230022 1048698086 /nfs/dbraw/zinc/69/80/86/1048698086.db2.gz QLFPZVSOAJBQPN-GDBMZVCRSA-N 0 1 345.405 4.249 20 10 EICDMN CC[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208222 1048705336 /nfs/dbraw/zinc/70/53/36/1048705336.db2.gz TYWCWXQZOSHSDM-WBVHZDCISA-N 0 1 339.357 4.185 20 10 EICDMN CC[C@@H]([NH2+]CCc1nc(C)cs1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209996 1048706154 /nfs/dbraw/zinc/70/61/54/1048706154.db2.gz YHZAZEYFLWMAIT-CYBMUJFWSA-N 0 1 344.402 4.459 20 10 EICDMN CC[C@@H]([NH2+]CCCCn1ccnc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810210652 1048708226 /nfs/dbraw/zinc/70/82/26/1048708226.db2.gz AWIXUCCPPHCENH-OAHLLOKOSA-N 0 1 341.377 4.129 20 10 EICDMN CC[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237282 1048721011 /nfs/dbraw/zinc/72/10/11/1048721011.db2.gz BEYGKVPTURJCHM-CQDKDKBSSA-N 0 1 331.378 4.003 20 10 EICDMN CC[C@H]([NH2+]CCc1cccc(C)n1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237302 1048721195 /nfs/dbraw/zinc/72/11/95/1048721195.db2.gz FVONQISMUPQVOJ-INIZCTEOSA-N 0 1 338.373 4.398 20 10 EICDMN CC[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000810247611 1048727116 /nfs/dbraw/zinc/72/71/16/1048727116.db2.gz KUMXUHDPXFZYAE-HBFSDRIKSA-N 0 1 345.870 4.253 20 10 EICDMN COc1cccc([C@H]2CCCN2Cc2cc(F)cc(C(C)=O)c2O)c1 ZINC000748050493 1048736160 /nfs/dbraw/zinc/73/61/60/1048736160.db2.gz DMOQBTJJIRZLAC-LJQANCHMSA-N 0 1 343.398 4.080 20 10 EICDMN COc1cccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c1OC(C)C ZINC000846059092 1048796251 /nfs/dbraw/zinc/79/62/51/1048796251.db2.gz XYUOIUWTMLBLHW-UHFFFAOYSA-N 0 1 335.831 4.131 20 10 EICDMN CC(C)(C)OC(=O)C1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816502849 1048821774 /nfs/dbraw/zinc/82/17/74/1048821774.db2.gz SPFJXHMDMLECDM-UHFFFAOYSA-N 0 1 341.451 4.099 20 10 EICDMN Oc1c(CN2CCO[C@@H](c3ccsc3)C2)ccc2ccccc21 ZINC000816516501 1048824106 /nfs/dbraw/zinc/82/41/06/1048824106.db2.gz HLSSEAGQDKVUOG-GOSISDBHSA-N 0 1 325.433 4.180 20 10 EICDMN CCOC(=O)CCC1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816517354 1048824480 /nfs/dbraw/zinc/82/44/80/1048824480.db2.gz NAMYDVPWNMULNZ-UHFFFAOYSA-N 0 1 341.451 4.101 20 10 EICDMN [O-]c1c(C[NH2+]Cc2ccc(-n3ccnc3)c(F)c2)ccc2ccccc12 ZINC000816539843 1048826642 /nfs/dbraw/zinc/82/66/42/1048826642.db2.gz VMPDDRYGSOJIKM-UHFFFAOYSA-N 0 1 347.393 4.160 20 10 EICDMN [O-]c1c(C[NH2+]C2CCN(c3ccccc3)CC2)ccc2ccccc21 ZINC000816538071 1048826802 /nfs/dbraw/zinc/82/68/02/1048826802.db2.gz DDWNHEDUKVVKRG-UHFFFAOYSA-N 0 1 332.447 4.304 20 10 EICDMN Oc1c(CNCc2ccn(-c3ccccc3)n2)ccc2ccccc21 ZINC000816542576 1048826899 /nfs/dbraw/zinc/82/68/99/1048826899.db2.gz USRAWYIKOBDXDX-UHFFFAOYSA-N 0 1 329.403 4.021 20 10 EICDMN [O-]c1c(C[NH2+]CCc2ccn(-c3ccccc3)n2)ccc2ccccc21 ZINC000816545006 1048827372 /nfs/dbraw/zinc/82/73/72/1048827372.db2.gz ZTKMMFWWFHSOBW-UHFFFAOYSA-N 0 1 343.430 4.063 20 10 EICDMN COc1cccc([C@H](C)NCc2cc(F)c(Cl)cc2F)c1O ZINC000846167611 1048828706 /nfs/dbraw/zinc/82/87/06/1048828706.db2.gz LPDKYMONHCSWIY-VIFPVBQESA-N 0 1 327.758 4.183 20 10 EICDMN COc1cccc([C@H](C)N[C@H](C)c2nc3ccccc3s2)c1O ZINC000846144306 1048831796 /nfs/dbraw/zinc/83/17/96/1048831796.db2.gz KHNOPYPUZNWDST-NWDGAFQWSA-N 0 1 328.437 4.422 20 10 EICDMN CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816585054 1048832614 /nfs/dbraw/zinc/83/26/14/1048832614.db2.gz AEFBWTMZDRNERA-KRWDZBQOSA-N 0 1 339.357 4.089 20 10 EICDMN CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816585054 1048832622 /nfs/dbraw/zinc/83/26/22/1048832622.db2.gz AEFBWTMZDRNERA-KRWDZBQOSA-N 0 1 339.357 4.089 20 10 EICDMN COc1ccccc1O[C@@H](C)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816554768 1048833522 /nfs/dbraw/zinc/83/35/22/1048833522.db2.gz IQTHPPFBSIRCSK-HNNXBMFYSA-N 0 1 337.419 4.111 20 10 EICDMN Oc1c(CNCc2nc(C(F)(F)F)cs2)ccc2ccccc21 ZINC000816552963 1048833626 /nfs/dbraw/zinc/83/36/26/1048833626.db2.gz CQXPJMUBYBIKHK-UHFFFAOYSA-N 0 1 338.354 4.311 20 10 EICDMN [O-]c1c(C[NH2+]CC2([C@@H](O)c3ccccc3)CC2)ccc2ccccc21 ZINC000816558298 1048834058 /nfs/dbraw/zinc/83/40/58/1048834058.db2.gz SVHJTEXGVHZMCQ-NRFANRHFSA-N 0 1 333.431 4.149 20 10 EICDMN C[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])Oc1ccccc1F ZINC000816554409 1048834227 /nfs/dbraw/zinc/83/42/27/1048834227.db2.gz XXBSQUVEBOJMNO-CQSZACIVSA-N 0 1 325.383 4.242 20 10 EICDMN Oc1c(CNCc2nnc(-c3ccccc3)s2)ccc2ccccc21 ZINC000816556816 1048834297 /nfs/dbraw/zinc/83/42/97/1048834297.db2.gz UWJORLHMLDEOBN-UHFFFAOYSA-N 0 1 347.443 4.354 20 10 EICDMN C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc2ccccc2c1[O-] ZINC000816601133 1048842535 /nfs/dbraw/zinc/84/25/35/1048842535.db2.gz SMQWJVQDOGUEMY-UHFFFAOYSA-N 0 1 336.391 4.128 20 10 EICDMN C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc2ccccc2c1[O-] ZINC000816601133 1048842538 /nfs/dbraw/zinc/84/25/38/1048842538.db2.gz SMQWJVQDOGUEMY-UHFFFAOYSA-N 0 1 336.391 4.128 20 10 EICDMN Oc1c(Cl)cccc1CN1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000811508356 1049119775 /nfs/dbraw/zinc/11/97/75/1049119775.db2.gz NBEAVHGTNATCHH-MRXNPFEDSA-N 0 1 328.843 4.030 20 10 EICDMN [O-]c1c(Cl)cccc1CN1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000811508356 1049119790 /nfs/dbraw/zinc/11/97/90/1049119790.db2.gz NBEAVHGTNATCHH-MRXNPFEDSA-N 0 1 328.843 4.030 20 10 EICDMN [O-]c1c(Cl)cccc1CN1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000811508356 1049119803 /nfs/dbraw/zinc/11/98/03/1049119803.db2.gz NBEAVHGTNATCHH-MRXNPFEDSA-N 0 1 328.843 4.030 20 10 EICDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000811512666 1049126609 /nfs/dbraw/zinc/12/66/09/1049126609.db2.gz JDDMZKQGHASYLJ-IBGZPJMESA-N 0 1 329.827 4.015 20 10 EICDMN Oc1c(Br)cccc1CNc1cc2c(cn1)CCCC2 ZINC000812345518 1049446790 /nfs/dbraw/zinc/44/67/90/1049446790.db2.gz CFANKKGFNLPCEC-UHFFFAOYSA-N 0 1 333.229 4.041 20 10 EICDMN C[C@H](NCc1cccc(F)n1)c1ccc(N2CCCCC2)c(F)c1 ZINC000773088594 1049574829 /nfs/dbraw/zinc/57/48/29/1049574829.db2.gz PAPPWXAQKVXOKE-AWEZNQCLSA-N 0 1 331.410 4.201 20 10 EICDMN C[C@H](NCc1ccc(N(C)C)cc1)c1sccc1Br ZINC000037233652 1049698721 /nfs/dbraw/zinc/69/87/21/1049698721.db2.gz KLGBGIBFVAOSHF-NSHDSACASA-N 0 1 339.302 4.427 20 10 EICDMN CC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])c1ccc(F)cc1F ZINC000179638578 1049707871 /nfs/dbraw/zinc/70/78/71/1049707871.db2.gz 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CN(C)c1cc(F)c(CN[C@@]2(C)CCCc3ccccc32)cc1F ZINC001180778633 1051083370 /nfs/dbraw/zinc/08/33/70/1051083370.db2.gz GBJNUHNJFYLXOD-FQEVSTJZSA-N 0 1 330.422 4.372 20 10 EICDMN CCC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@H](O)c1ccccc1 ZINC001181419198 1051219397 /nfs/dbraw/zinc/21/93/97/1051219397.db2.gz WCEOWXOWGMLRDK-IEBWSBKVSA-N 0 1 333.859 4.346 20 10 EICDMN CCC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@@H](O)c1ccccc1 ZINC001181419197 1051220036 /nfs/dbraw/zinc/22/00/36/1051220036.db2.gz WCEOWXOWGMLRDK-HKUYNNGSSA-N 0 1 333.859 4.346 20 10 EICDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCc2ccccc2F)c1[O-] ZINC001190854678 1051295359 /nfs/dbraw/zinc/29/53/59/1051295359.db2.gz JKLXFDCHESHAFD-UHFFFAOYSA-N 0 1 335.806 4.062 20 10 EICDMN CC[N@H+](CCCOC(C)(C)C)Cc1cc(Br)ccc1[O-] ZINC001191268755 1051413528 /nfs/dbraw/zinc/41/35/28/1051413528.db2.gz LRWGABYIPBNYAW-UHFFFAOYSA-N 0 1 344.293 4.182 20 10 EICDMN CC[N@@H+](CCCOC(C)(C)C)Cc1cc(Br)ccc1[O-] ZINC001191268755 1051413533 /nfs/dbraw/zinc/41/35/33/1051413533.db2.gz LRWGABYIPBNYAW-UHFFFAOYSA-N 0 1 344.293 4.182 20 10 EICDMN CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC001191276944 1051414437 /nfs/dbraw/zinc/41/44/37/1051414437.db2.gz HMSUJHLPSRUFCP-SFHVURJKSA-N 0 1 329.415 4.187 20 10 EICDMN CC[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1cc(Cl)ccc1[O-] ZINC000775491213 1051576909 /nfs/dbraw/zinc/57/69/09/1051576909.db2.gz CGIAHHXDTFZIQY-QGZVFWFLSA-N 0 1 345.874 4.282 20 10 EICDMN CC[C@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000775493483 1051604440 /nfs/dbraw/zinc/60/44/40/1051604440.db2.gz TVTZBEYMFKIOOB-DOTOQJQBSA-N 0 1 335.879 4.398 20 10 EICDMN CC[C@H]([NH2+]CCN1Cc2ccccc2C1)c1cc(Cl)ccc1[O-] ZINC000775496335 1051614739 /nfs/dbraw/zinc/61/47/39/1051614739.db2.gz GNNOBYRJKIIENS-SFHVURJKSA-N 0 1 330.859 4.102 20 10 EICDMN CC[C@H]([NH2+][C@H](C)[C@H](O)c1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000775506728 1051646833 /nfs/dbraw/zinc/64/68/33/1051646833.db2.gz CSJGXXABTZXTJT-VOZBZGINSA-N 0 1 337.822 4.348 20 10 EICDMN CC[C@H]([NH2+][C@@H](CC)[C@@H]1CCCO1)c1cc(Br)ccc1[O-] ZINC000775525179 1051705126 /nfs/dbraw/zinc/70/51/26/1051705126.db2.gz YFWOLDRMPHIMAH-DZKIICNBSA-N 0 1 342.277 4.153 20 10 EICDMN CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1Cl)c1cc(Cl)ccc1[O-] ZINC000775526902 1051717076 /nfs/dbraw/zinc/71/70/76/1051717076.db2.gz NLZJLBLULFKNCQ-NVXWUHKLSA-N 0 1 340.250 4.473 20 10 EICDMN CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1OC)c1cc(Br)ccc1[O-] ZINC000775532261 1051748106 /nfs/dbraw/zinc/74/81/06/1051748106.db2.gz ULCAQVMAGQQVJO-PJODQICGSA-N 0 1 342.277 4.011 20 10 EICDMN CC(C)(C)C[N@@H+](CC(=O)OC(C)(C)C)Cc1cccc(Cl)c1[O-] ZINC001183023019 1051772481 /nfs/dbraw/zinc/77/24/81/1051772481.db2.gz CFRJHUVOZFOSSH-UHFFFAOYSA-N 0 1 341.879 4.235 20 10 EICDMN CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cc(Cl)ccc1[O-] ZINC000775540539 1051789636 /nfs/dbraw/zinc/78/96/36/1051789636.db2.gz LQPUUXCEINPNDP-PLYYQAHHSA-N 0 1 335.875 4.434 20 10 EICDMN CC[C@@H](N[C@@H]1COc2cc(F)cc(F)c21)c1cc(Cl)ccc1O ZINC000775552897 1051831250 /nfs/dbraw/zinc/83/12/50/1051831250.db2.gz YKOYROVEXKJSFX-ZIAGYGMSSA-N 0 1 339.769 4.498 20 10 EICDMN COc1cccc2c1OCCC[C@@H]2[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC001183582184 1051869983 /nfs/dbraw/zinc/86/99/83/1051869983.db2.gz JETHSOMZTSWFAD-INIZCTEOSA-N 0 1 347.842 4.366 20 10 EICDMN Cc1cc(O)c(CN2CCO[C@H](c3ccc(Cl)cc3)C2)cc1C ZINC000071966768 1051880689 /nfs/dbraw/zinc/88/06/89/1051880689.db2.gz BRDOLMMJURHECG-IBGZPJMESA-N 0 1 331.843 4.236 20 10 EICDMN [O-]c1c(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)ccc2ccccc21 ZINC001183662206 1051885320 /nfs/dbraw/zinc/88/53/20/1051885320.db2.gz NMTGECZRBIJEIV-IBGZPJMESA-N 0 1 337.394 4.338 20 10 EICDMN [O-]c1c(C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)ccc2ccccc21 ZINC001183662206 1051885325 /nfs/dbraw/zinc/88/53/25/1051885325.db2.gz NMTGECZRBIJEIV-IBGZPJMESA-N 0 1 337.394 4.338 20 10 EICDMN Cc1nc2cc(NC(=O)c3cc(O)c(O)c(Cl)c3)c(C)cc2s1 ZINC001193624437 1051956580 /nfs/dbraw/zinc/95/65/80/1051956580.db2.gz DZJVXJATRJIEAV-UHFFFAOYSA-N 0 1 348.811 4.230 20 10 EICDMN CCCC[N@H+](CCc1ccc2c(c1)CCO2)Cc1ccccc1[O-] ZINC001193837926 1051996351 /nfs/dbraw/zinc/99/63/51/1051996351.db2.gz BHLRIMMIAKXVHG-UHFFFAOYSA-N 0 1 325.452 4.172 20 10 EICDMN CCCC[N@@H+](CCc1ccc2c(c1)CCO2)Cc1ccccc1[O-] ZINC001193837926 1051996358 /nfs/dbraw/zinc/99/63/58/1051996358.db2.gz BHLRIMMIAKXVHG-UHFFFAOYSA-N 0 1 325.452 4.172 20 10 EICDMN C[C@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000185026917 1052367086 /nfs/dbraw/zinc/36/70/86/1052367086.db2.gz KJUQITVZABELDM-ZDUSSCGKSA-N 0 1 340.389 4.080 20 10 EICDMN CC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])c1 ZINC000185020972 1052371629 /nfs/dbraw/zinc/37/16/29/1052371629.db2.gz HPCBAJKXBYKXDE-CQSZACIVSA-N 0 1 334.419 4.355 20 10 EICDMN CCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])c1 ZINC000185177400 1052512208 /nfs/dbraw/zinc/51/22/08/1052512208.db2.gz ZGTDMCKTIFWWDX-OAHLLOKOSA-N 0 1 348.446 4.146 20 10 EICDMN Cc1cccc2nc(C[NH2+][C@H](C)c3ccc4ccccc4c3[O-])cn21 ZINC000185412525 1052597672 /nfs/dbraw/zinc/59/76/72/1052597672.db2.gz MHLGGBHVYJJTNK-OAHLLOKOSA-N 0 1 331.419 4.352 20 10 EICDMN CC[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F ZINC000119583790 1053066904 /nfs/dbraw/zinc/06/69/04/1053066904.db2.gz DXJSGZZCYGQTCP-FQEVSTJZSA-N 0 1 346.421 4.042 20 10 EICDMN CN(C)c1ccc(CNc2ccc3c[nH]nc3c2)c(C(F)(F)F)c1 ZINC000864043567 1053186590 /nfs/dbraw/zinc/18/65/90/1053186590.db2.gz QXWUSMMRVLQIKW-UHFFFAOYSA-N 0 1 334.345 4.260 20 10 EICDMN C[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1[O-])c1ccccn1 ZINC000850482565 1053251167 /nfs/dbraw/zinc/25/11/67/1053251167.db2.gz PMCUCKKSHZETMG-VXGBXAGGSA-N 0 1 335.245 4.004 20 10 EICDMN CCN(C)c1ccc([C@@H](C)NCc2c(OC)cccc2OC)cc1 ZINC000850504969 1053262527 /nfs/dbraw/zinc/26/25/27/1053262527.db2.gz JDEKLFDFRMQNFO-OAHLLOKOSA-N 0 1 328.456 4.011 20 10 EICDMN C[C@@H]([NH2+]Cc1cccnc1N1CCCC1)c1ccc2ccccc2c1[O-] ZINC000850502548 1053265807 /nfs/dbraw/zinc/26/58/07/1053265807.db2.gz WPFZERLBGRBLDE-MRXNPFEDSA-N 0 1 347.462 4.391 20 10 EICDMN CC[C@H]([NH2+]Cc1cc(COC)cs1)c1cc(Cl)ccc1[O-] ZINC000850532183 1053293380 /nfs/dbraw/zinc/29/33/80/1053293380.db2.gz KJIPFKIRRMZTAQ-HNNXBMFYSA-N 0 1 325.861 4.494 20 10 EICDMN C[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1ccc(Br)cc1[O-] ZINC000850551475 1053305668 /nfs/dbraw/zinc/30/56/68/1053305668.db2.gz IQEVMHBYYIJIIK-PRHODGIISA-N 0 1 334.204 4.097 20 10 EICDMN C[N@H+](Cc1cccc(Cl)c1[O-])Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775645199 1053331269 /nfs/dbraw/zinc/33/12/69/1053331269.db2.gz ZBUOYWJCFOFXSQ-UHFFFAOYSA-N 0 1 341.194 4.239 20 10 EICDMN C[N@@H+](Cc1cccc(Cl)c1[O-])Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775645199 1053331286 /nfs/dbraw/zinc/33/12/86/1053331286.db2.gz ZBUOYWJCFOFXSQ-UHFFFAOYSA-N 0 1 341.194 4.239 20 10 EICDMN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1ccc(Br)cn1 ZINC000794799970 1053385321 /nfs/dbraw/zinc/38/53/21/1053385321.db2.gz AQPYCYJAYFSPBP-ZDUSSCGKSA-N 0 1 348.288 4.069 20 10 EICDMN CC[C@@H](N[C@@H](c1nccn1C)c1ccccc1)c1ccc(C)cc1O ZINC000794793279 1053387388 /nfs/dbraw/zinc/38/73/88/1053387388.db2.gz NMFOPEVGIXYADL-UYAOXDASSA-N 0 1 335.451 4.264 20 10 EICDMN C[C@H]1CO[C@@H](c2ccccc2)CN1Cc1cc(Cl)cc(F)c1O ZINC000775675357 1053506644 /nfs/dbraw/zinc/50/66/44/1053506644.db2.gz YSQBEPNJFMGHKW-YVEFUNNKSA-N 0 1 335.806 4.147 20 10 EICDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000775679339 1053555309 /nfs/dbraw/zinc/55/53/09/1053555309.db2.gz XSGYTDCWIKPFSA-QGZVFWFLSA-N 0 1 335.806 4.148 20 10 EICDMN C[C@H](N[C@H]1CCc2ccccc2-n2ccnc21)c1cc(F)ccc1O ZINC000853240513 1053657700 /nfs/dbraw/zinc/65/77/00/1053657700.db2.gz HNMFNBJNGZHANV-GUYCJALGSA-N 0 1 337.398 4.055 20 10 EICDMN C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000775715067 1053663387 /nfs/dbraw/zinc/66/33/87/1053663387.db2.gz BGEAEPGAOHNUKA-SJKOYZFVSA-N 0 1 335.806 4.147 20 10 EICDMN C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)[C@H](c2ccccc2)CO1 ZINC000775719618 1053682844 /nfs/dbraw/zinc/68/28/44/1053682844.db2.gz WFPNPBBBECFQHS-SJCJKPOMSA-N 0 1 335.806 4.147 20 10 EICDMN C[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCOC1)c1ccc2ccccc2c1[O-] ZINC000866512013 1053760420 /nfs/dbraw/zinc/76/04/20/1053760420.db2.gz HHXBZNZGEORENN-VHFSOBRXSA-N 0 1 325.452 4.401 20 10 EICDMN CCN(Cc1ccccc1O)Cc1ccc(C)cc1Br ZINC001137808236 1053777582 /nfs/dbraw/zinc/77/75/82/1053777582.db2.gz DUPHZIGCLYSMCB-UHFFFAOYSA-N 0 1 334.257 4.485 20 10 EICDMN C[C@@H](NCc1nn(C)cc1C(F)F)c1ccc2ccccc2c1O ZINC000866565368 1053787115 /nfs/dbraw/zinc/78/71/15/1053787115.db2.gz LAKDJSFGGQRJIR-LLVKDONJSA-N 0 1 331.366 4.067 20 10 EICDMN CC[C@@H](NCc1ccc(Br)cn1)c1ccc(N(C)C)cc1 ZINC000866568825 1053790585 /nfs/dbraw/zinc/79/05/85/1053790585.db2.gz FFDFLNACYPPBBX-QGZVFWFLSA-N 0 1 348.288 4.151 20 10 EICDMN CC[C@@H](NCc1noc2cc(F)ccc12)c1ccc(N(C)C)cc1 ZINC000866610044 1053803991 /nfs/dbraw/zinc/80/39/91/1053803991.db2.gz KPJDVEGTNNUTMQ-QGZVFWFLSA-N 0 1 327.403 4.274 20 10 EICDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccc3ncsc3c2)c1[O-] ZINC000776819252 1053947495 /nfs/dbraw/zinc/94/74/95/1053947495.db2.gz VODOBKLFFLEIGZ-SNVBAGLBSA-N 0 1 344.411 4.194 20 10 EICDMN CC[C@H]([NH2+][C@@H](C)c1nccnc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000872133117 1054407313 /nfs/dbraw/zinc/40/73/13/1054407313.db2.gz KKJYXALEDUQURA-FZMZJTMJSA-N 0 1 339.361 4.311 20 10 EICDMN Cc1cccnc1[C@H](NCc1cc(F)c(N(C)C)cc1F)C(C)C ZINC000858137508 1054422482 /nfs/dbraw/zinc/42/24/82/1054422482.db2.gz AIGMIVQLUANTDM-GOSISDBHSA-N 0 1 333.426 4.221 20 10 EICDMN Oc1cccc(Br)c1CNC1(c2cccc(F)c2)CC1 ZINC000858142455 1054423745 /nfs/dbraw/zinc/42/37/45/1054423745.db2.gz BIRFEBPMFBYUQW-UHFFFAOYSA-N 0 1 336.204 4.073 20 10 EICDMN [O-]c1cccc(Br)c1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000858142455 1054423751 /nfs/dbraw/zinc/42/37/51/1054423751.db2.gz BIRFEBPMFBYUQW-UHFFFAOYSA-N 0 1 336.204 4.073 20 10 EICDMN C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000776014470 1054438611 /nfs/dbraw/zinc/43/86/11/1054438611.db2.gz RWTWACPWQSLWBF-LDYMZIIASA-N 0 1 325.733 4.348 20 10 EICDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000776014807 1054439603 /nfs/dbraw/zinc/43/96/03/1054439603.db2.gz QPBBAZPCJGXCOT-IBGZPJMESA-N 0 1 329.827 4.067 20 10 EICDMN COc1cc(Cl)cc(CN2CCC[C@@H](C(F)(F)F)[C@H]2C)c1O ZINC000776013719 1054447699 /nfs/dbraw/zinc/44/76/99/1054447699.db2.gz NWWJCVBDHIDETN-BXKDBHETSA-N 0 1 337.769 4.217 20 10 EICDMN C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000858490527 1054499092 /nfs/dbraw/zinc/49/90/92/1054499092.db2.gz JUZDEMCKRHVVGQ-NEPJUHHUSA-N 0 1 331.287 4.082 20 10 EICDMN CC[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000858546519 1054511471 /nfs/dbraw/zinc/51/14/71/1054511471.db2.gz BGBLYHOCZUWLRK-INWMFGNUSA-N 0 1 329.362 4.019 20 10 EICDMN Cc1cc(CN[C@@H](C)c2nccnc2C)c(C)n1-c1cccc(C)c1 ZINC000858541790 1054512415 /nfs/dbraw/zinc/51/24/15/1054512415.db2.gz DAZUWQSLRJTOCP-KRWDZBQOSA-N 0 1 334.467 4.352 20 10 EICDMN C[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1ccc2ccccc2c1[O-] ZINC000186189851 1054628251 /nfs/dbraw/zinc/62/82/51/1054628251.db2.gz DFKYYGXJGNAYHE-SZNDQCEHSA-N 0 1 339.410 4.243 20 10 EICDMN Cc1cc(Cl)cc(CNCc2cc(-c3ccccc3)on2)c1O ZINC000776151687 1054738797 /nfs/dbraw/zinc/73/87/97/1054738797.db2.gz UCWQCVNPVVMELF-UHFFFAOYSA-N 0 1 328.799 4.299 20 10 EICDMN COc1ccc(CNCc2ccc(N3CCCCC3)cc2)c(F)c1 ZINC001201407044 1054778984 /nfs/dbraw/zinc/77/89/84/1054778984.db2.gz IKMARJOHVYNTRT-UHFFFAOYSA-N 0 1 328.431 4.114 20 10 EICDMN [O-]c1c(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)ccc(F)c1F ZINC000876565087 1054931783 /nfs/dbraw/zinc/93/17/83/1054931783.db2.gz XUFGJJOZKNUJTM-ZDUSSCGKSA-N 0 1 344.361 4.191 20 10 EICDMN CN(C)c1ccc(CN(Cc2ccc(C(F)F)nc2)C2CC2)cc1 ZINC000876570763 1054933118 /nfs/dbraw/zinc/93/31/18/1054933118.db2.gz NQTJJSRHUVQSCY-UHFFFAOYSA-N 0 1 331.410 4.250 20 10 EICDMN CC(C)Cn1ncc(NCc2ccc(F)c(F)c2O)c1C(F)F ZINC000877165808 1055031892 /nfs/dbraw/zinc/03/18/92/1055031892.db2.gz QPMLFQNPKUMBPQ-UHFFFAOYSA-N 0 1 331.313 4.073 20 10 EICDMN Cc1ncc([C@@H](C)NCc2ccc(N(C)C)cc2C(F)(F)F)s1 ZINC000877685448 1055106213 /nfs/dbraw/zinc/10/62/13/1055106213.db2.gz ZVGFSYTWBRTRAH-SNVBAGLBSA-N 0 1 343.418 4.387 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000877736414 1055114755 /nfs/dbraw/zinc/11/47/55/1055114755.db2.gz YOMPSHCKFWMNJZ-UHFFFAOYSA-N 0 1 347.846 4.076 20 10 EICDMN C[C@H](NCc1c[nH]c(=NC(=O)OC(C)(C)C)s1)c1ccccc1O ZINC000877758312 1055117459 /nfs/dbraw/zinc/11/74/59/1055117459.db2.gz SGDDWXONITWJOF-NSHDSACASA-N 0 1 349.456 4.047 20 10 EICDMN Cc1cc(C[N@@H+]2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)ccc1N1CCCCC1 ZINC000863476418 1055211791 /nfs/dbraw/zinc/21/17/91/1055211791.db2.gz DIDVVLBXMKXVSP-IZZQQSIFSA-N 0 1 344.499 4.059 20 10 EICDMN Cc1cc([O-])c(C[NH2+]Cc2ccnc(C(F)(F)F)c2)cc1Cl ZINC000826042970 1055327034 /nfs/dbraw/zinc/32/70/34/1055327034.db2.gz BBORSVGJTHZGTC-UHFFFAOYSA-N 0 1 330.737 4.058 20 10 EICDMN CCn1c2ccccc2nc1[C@@H](C)NCc1ccc2c(c1)CCCO2 ZINC000921761397 1056466448 /nfs/dbraw/zinc/46/64/48/1056466448.db2.gz WJFRAQAEVMVZSD-OAHLLOKOSA-N 0 1 335.451 4.232 20 10 EICDMN CC[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1cc(Br)ccc1[O-] ZINC000693132468 1020979058 /nfs/dbraw/zinc/97/90/58/1020979058.db2.gz PRECRPXJGODYSM-RISCZKNCSA-N 0 1 342.277 4.011 20 10 EICDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000725848901 1021589942 /nfs/dbraw/zinc/58/99/42/1021589942.db2.gz CGVDPZMASMUJJO-UHFFFAOYSA-N 0 1 330.859 4.326 20 10 EICDMN COc1ccc(O)c([C@H](C)NCc2ccsc2Br)c1 ZINC000282357024 1021941237 /nfs/dbraw/zinc/94/12/37/1021941237.db2.gz HJXZDJJWWVAPOD-VIFPVBQESA-N 0 1 342.258 4.076 20 10 EICDMN COc1cc(OC)c([C@@H](C)NCc2ccc(N(C)C)cc2)cc1Cl ZINC000160555186 1022231868 /nfs/dbraw/zinc/23/18/68/1022231868.db2.gz GFQXEVOMXYWDKU-CYBMUJFWSA-N 0 1 348.874 4.274 20 10 EICDMN CC[C@@H]([NH2+][C@H]1CCC(F)(F)C1)c1cc(Br)ccc1[O-] ZINC000312097730 1022636973 /nfs/dbraw/zinc/63/69/73/1022636973.db2.gz SGVDHWIKJPKXDG-CMPLNLGQSA-N 0 1 334.204 4.383 20 10 EICDMN C[C@@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)c1cc(Cl)ccc1[O-] ZINC000363858573 1022863670 /nfs/dbraw/zinc/86/36/70/1022863670.db2.gz DYCZRSUHWHCGAI-CYBMUJFWSA-N 0 1 341.842 4.297 20 10 EICDMN Cc1cn2c(n1)[C@H](C[NH2+][C@@H](C)c1ccc3ccccc3c1[O-])CCC2 ZINC000363867435 1022871603 /nfs/dbraw/zinc/87/16/03/1022871603.db2.gz QJFJFFHTNVFXQF-RDJZCZTQSA-N 0 1 335.451 4.279 20 10 EICDMN Cn1cc(NCc2cc(Cl)cc(Cl)c2O)c(-c2ccccn2)n1 ZINC000378646281 1022905923 /nfs/dbraw/zinc/90/59/23/1022905923.db2.gz OVBWPHFOQIMTRT-UHFFFAOYSA-N 0 1 349.221 4.107 20 10 EICDMN C[C@@H](N[C@@H](C)c1nccn1-c1ccccc1)c1cc(F)ccc1O ZINC000376787126 1023312068 /nfs/dbraw/zinc/31/20/68/1023312068.db2.gz JSROUVMNSPJSBR-KGLIPLIRSA-N 0 1 325.387 4.129 20 10 EICDMN Cc1cccc2c1OCC[C@H]2[NH2+]Cc1cc(Br)ccc1[O-] ZINC000188876039 1023385787 /nfs/dbraw/zinc/38/57/87/1023385787.db2.gz OHLTZXVLIKVOFC-OAHLLOKOSA-N 0 1 348.240 4.077 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000123781585 1023659482 /nfs/dbraw/zinc/65/94/82/1023659482.db2.gz IJBBNZDJHCOJLV-IBGZPJMESA-N 0 1 349.833 4.130 20 10 EICDMN C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1[O-] ZINC000326396234 1023844033 /nfs/dbraw/zinc/84/40/33/1023844033.db2.gz MGJYTBLUBKLDKF-CQSZACIVSA-N 0 1 336.391 4.347 20 10 EICDMN C[C@H]([NH2+]C1(c2ccccc2)CC1)c1ccc(Br)cc1[O-] ZINC000756817583 1024951119 /nfs/dbraw/zinc/95/11/19/1024951119.db2.gz LSEGDDNIRMEZQX-LBPRGKRZSA-N 0 1 332.241 4.495 20 10 EICDMN CC[C@H](C)c1nnc([C@@H](C)N[C@@H](CC)c2ccc(N(C)C)cc2)[nH]1 ZINC000277358382 1025801469 /nfs/dbraw/zinc/80/14/69/1025801469.db2.gz WFKGMQPGKQODRC-VBQJREDUSA-N 0 1 329.492 4.186 20 10 EICDMN CC[C@@H]([NH2+]Cc1cccc(C)n1)c1cc(Br)ccc1[O-] ZINC000051574174 1026419550 /nfs/dbraw/zinc/41/95/50/1026419550.db2.gz IYJLXMQUPJXYOU-OAHLLOKOSA-N 0 1 335.245 4.099 20 10 EICDMN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2nc(C(F)(F)F)cs2)c1 ZINC000279450530 1026436594 /nfs/dbraw/zinc/43/65/94/1026436594.db2.gz IGKGIPYWMPKYGB-BDAKNGLRSA-N 0 1 346.374 4.288 20 10 EICDMN COc1ccc(CN[C@H](C)c2ccc(Br)cn2)cc1C ZINC000279617080 1026548377 /nfs/dbraw/zinc/54/83/77/1026548377.db2.gz AIROESUEJYPBID-GFCCVEGCSA-N 0 1 335.245 4.012 20 10 EICDMN [O-]c1c(C[NH+]2CCC(Nc3ccccn3)CC2)ccc2ccccc21 ZINC000896193401 1027318764 /nfs/dbraw/zinc/31/87/64/1027318764.db2.gz AZXJAOMSRVYNJP-UHFFFAOYSA-N 0 1 333.435 4.017 20 10 EICDMN C[C@H]([NH2+]CC(C)(C)c1cccnc1)c1cc(Br)ccc1[O-] ZINC000840892312 1027573464 /nfs/dbraw/zinc/57/34/64/1027573464.db2.gz QPRFDFDZKVQITB-LBPRGKRZSA-N 0 1 349.272 4.178 20 10 EICDMN CC[N@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@H](O)c1ccc(C)cc1 ZINC001204608013 1028807228 /nfs/dbraw/zinc/80/72/28/1028807228.db2.gz CKAITKWIPHFDLN-SFHVURJKSA-N 0 1 337.822 4.049 20 10 EICDMN COc1ccc(CNCc2c(C)c3ccccc3n2C)c(Cl)c1 ZINC000475200640 1029433355 /nfs/dbraw/zinc/43/33/55/1029433355.db2.gz AYLCVPQHUQPFIL-UHFFFAOYSA-N 0 1 328.843 4.439 20 10 EICDMN CC[C@H]([NH2+]CC[C@H]1CCCOC1)c1cc(Br)ccc1[O-] ZINC000527926425 1030925472 /nfs/dbraw/zinc/92/54/72/1030925472.db2.gz KYFPNXUHQYHGBT-DOMZBBRYSA-N 0 1 342.277 4.012 20 10 EICDMN CC[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000310942356 1031945147 /nfs/dbraw/zinc/94/51/47/1031945147.db2.gz WOHGNINCJZPJFJ-IFMALSPDSA-N 0 1 338.495 4.345 20 10 EICDMN CC[C@H]([NH2+][C@@H]1CC[C@@H](SC)C1)c1cc(Br)ccc1[O-] ZINC000229557579 1037241247 /nfs/dbraw/zinc/24/12/47/1037241247.db2.gz JCFHDMDBLLZDCD-BZPMIXESSA-N 0 1 344.318 4.480 20 10 EICDMN CCC(CC)(C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])C(=O)OC ZINC000760871872 1037552286 /nfs/dbraw/zinc/55/22/86/1037552286.db2.gz WCFQWNIENCXHPV-AWEZNQCLSA-N 0 1 329.440 4.175 20 10 EICDMN CCN(CC)c1ccc(CN(C)Cc2ncc(C)c(OC)c2C)cc1 ZINC000727588826 1043238833 /nfs/dbraw/zinc/23/88/33/1043238833.db2.gz XATHZEQUMNAWSQ-UHFFFAOYSA-N 0 1 341.499 4.185 20 10 EICDMN CC[C@@H]1C[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C[C@@H](C)O1 ZINC000732184034 1043882078 /nfs/dbraw/zinc/88/20/78/1043882078.db2.gz DLXOFCQFJJDIPX-ZIAGYGMSSA-N 0 1 329.440 4.017 20 10 EICDMN CC[C@@H]1C[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C[C@@H](C)O1 ZINC000732184034 1043882079 /nfs/dbraw/zinc/88/20/79/1043882079.db2.gz DLXOFCQFJJDIPX-ZIAGYGMSSA-N 0 1 329.440 4.017 20 10 EICDMN CC[C@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C[C@@H](C)O1 ZINC000732186116 1043884635 /nfs/dbraw/zinc/88/46/35/1043884635.db2.gz XUOGHSOECXXCHW-HIFRSBDPSA-N 0 1 325.408 4.291 20 10 EICDMN CC[C@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C[C@@H](C)O1 ZINC000732186116 1043884638 /nfs/dbraw/zinc/88/46/38/1043884638.db2.gz XUOGHSOECXXCHW-HIFRSBDPSA-N 0 1 325.408 4.291 20 10 EICDMN COc1ccc(Cl)cc1CN(C)Cc1cc2c(cc1O)CCC2 ZINC000732556239 1043961400 /nfs/dbraw/zinc/96/14/00/1043961400.db2.gz NDZUDFJYEHZSLA-UHFFFAOYSA-N 0 1 331.843 4.175 20 10 EICDMN CCN(CC)c1ccc(C[NH2+]Cc2ccc([O-])c(Cl)c2)cc1F ZINC000733328366 1044194726 /nfs/dbraw/zinc/19/47/26/1044194726.db2.gz SCSJPMOTTDDFQW-UHFFFAOYSA-N 0 1 336.838 4.321 20 10 EICDMN CC(C)CCc1noc(CN(Cc2ccccc2O)C2CCCC2)n1 ZINC000733613805 1044268285 /nfs/dbraw/zinc/26/82/85/1044268285.db2.gz MDGBGEPGUUYXES-UHFFFAOYSA-N 0 1 343.471 4.309 20 10 EICDMN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1Cl ZINC000130319705 1044379084 /nfs/dbraw/zinc/37/90/84/1044379084.db2.gz OYSGXWAEKKNSIJ-CQSZACIVSA-N 0 1 348.849 4.167 20 10 EICDMN [O-]c1ccc2ccncc2c1C[NH+]1CCC(COc2ccccc2)CC1 ZINC000738100307 1045033906 /nfs/dbraw/zinc/03/39/06/1045033906.db2.gz WMBFDAZYDIBYFW-UHFFFAOYSA-N 0 1 348.446 4.231 20 10 EICDMN C[C@H](O)[C@](C)(C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])Cc1ccccc1 ZINC000790726720 1045570174 /nfs/dbraw/zinc/57/01/74/1045570174.db2.gz JFKLEXUTCRXBGW-AVYPCKFXSA-N 0 1 347.886 4.326 20 10 EICDMN CC1(C)CC([NH2+]Cc2cc3ccccc3cc2[O-])CC(C)(C)N1O ZINC001169982821 1045714173 /nfs/dbraw/zinc/71/41/73/1045714173.db2.gz VJANIEZGAGTCCG-UHFFFAOYSA-N 0 1 328.456 4.046 20 10 EICDMN CCCN(CC(=O)Nc1ccccc1C)Cc1cc(Cl)ccc1O ZINC000768169066 1045734781 /nfs/dbraw/zinc/73/47/81/1045734781.db2.gz DNCWCGWZWZOUHU-UHFFFAOYSA-N 0 1 346.858 4.205 20 10 EICDMN CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cc(Cl)ccc1[O-] ZINC000768169066 1045734808 /nfs/dbraw/zinc/73/48/08/1045734808.db2.gz DNCWCGWZWZOUHU-UHFFFAOYSA-N 0 1 346.858 4.205 20 10 EICDMN CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cc(Cl)ccc1[O-] ZINC000768169066 1045734796 /nfs/dbraw/zinc/73/47/96/1045734796.db2.gz DNCWCGWZWZOUHU-UHFFFAOYSA-N 0 1 346.858 4.205 20 10 EICDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2c2cccs2)c1[O-] ZINC000768196602 1045752915 /nfs/dbraw/zinc/75/29/15/1045752915.db2.gz SBBKFBQSOQWRMC-GFCCVEGCSA-N 0 1 338.816 4.352 20 10 EICDMN C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000768216218 1045755502 /nfs/dbraw/zinc/75/55/02/1045755502.db2.gz RUGLXYMXFDSQFM-LLVKDONJSA-N 0 1 338.220 4.487 20 10 EICDMN COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2[O-])cc1OC ZINC000768231997 1045759918 /nfs/dbraw/zinc/75/99/18/1045759918.db2.gz XQCXRDAUZIMORT-INIZCTEOSA-N 0 1 347.842 4.400 20 10 EICDMN COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[O-])cc1OC ZINC000768231997 1045759932 /nfs/dbraw/zinc/75/99/32/1045759932.db2.gz XQCXRDAUZIMORT-INIZCTEOSA-N 0 1 347.842 4.400 20 10 EICDMN C[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000768272504 1045774766 /nfs/dbraw/zinc/77/47/66/1045774766.db2.gz SHLXHYDXEWDVPP-SFYZADRCSA-N 0 1 326.156 4.146 20 10 EICDMN COc1cc(O)c(CN2CCC[C@H]2c2ccc(F)c(F)c2)cc1OC ZINC000768447067 1045808190 /nfs/dbraw/zinc/80/81/90/1045808190.db2.gz MBFZSFGZMQDNCA-INIZCTEOSA-N 0 1 349.377 4.025 20 10 EICDMN C[C@H]1CN(Cc2cc3c(cc2O)CCCC3)C[C@H](c2ccsc2)O1 ZINC000768465336 1045810916 /nfs/dbraw/zinc/81/09/16/1045810916.db2.gz ZQSKZGNSWAZESQ-VBKZILBWSA-N 0 1 343.492 4.295 20 10 EICDMN CC(=O)c1cc(Cl)cc(C[NH+]2CCC(c3cccnc3)CC2)c1[O-] ZINC000768755162 1045837912 /nfs/dbraw/zinc/83/79/12/1045837912.db2.gz VWFFYGXUDFSRRD-UHFFFAOYSA-N 0 1 344.842 4.023 20 10 EICDMN COc1cc(Br)cc(C[N@H+](CC(C)C)C(C)C)c1[O-] ZINC000768780133 1045841362 /nfs/dbraw/zinc/84/13/62/1045841362.db2.gz LIXFSBSGHMQMPD-UHFFFAOYSA-N 0 1 330.266 4.030 20 10 EICDMN COc1cc(Br)cc(C[N@@H+](CC(C)C)C(C)C)c1[O-] ZINC000768780133 1045841364 /nfs/dbraw/zinc/84/13/64/1045841364.db2.gz 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C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccsc1 ZINC000807840289 1047513218 /nfs/dbraw/zinc/51/32/18/1047513218.db2.gz XHPRSRXQEUHWIH-MRVPVSSYSA-N 0 1 330.236 4.180 20 10 EICDMN Cc1cc(F)c(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1F ZINC000807839011 1047513290 /nfs/dbraw/zinc/51/32/90/1047513290.db2.gz FQDYOPJPJAYERI-UHFFFAOYSA-N 0 1 346.160 4.216 20 10 EICDMN Cc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)ccc1F ZINC000807839810 1047522138 /nfs/dbraw/zinc/52/21/38/1047522138.db2.gz RFZCPFYDBNQULJ-UHFFFAOYSA-N 0 1 328.170 4.077 20 10 EICDMN CC(C)CCSCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836992 1047523218 /nfs/dbraw/zinc/52/32/18/1047523218.db2.gz XAACNAJYCAWLLB-UHFFFAOYSA-N 0 1 336.284 4.095 20 10 EICDMN Cc1cccc([C@@H](C)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807837952 1047523886 /nfs/dbraw/zinc/52/38/86/1047523886.db2.gz HPVDQVFMJSENLZ-LLVKDONJSA-N 0 1 338.234 4.427 20 10 EICDMN O=C(Cc1ccc(Cl)cc1)NCc1cc(Cl)cc(Cl)c1O ZINC000807839521 1047524522 /nfs/dbraw/zinc/52/45/22/1047524522.db2.gz OHRJPRXLNBJNDV-UHFFFAOYSA-N 0 1 344.625 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DUOKIRRTYZIWHC-ONGXEEELSA-N 0 1 337.769 4.217 20 10 EICDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1Cl ZINC000824926829 1047997243 /nfs/dbraw/zinc/99/72/43/1047997243.db2.gz HXENCMZUIBHOPM-YOEHRIQHSA-N 0 1 335.831 4.035 20 10 EICDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1Cl ZINC000824926829 1047997263 /nfs/dbraw/zinc/99/72/63/1047997263.db2.gz HXENCMZUIBHOPM-YOEHRIQHSA-N 0 1 335.831 4.035 20 10 EICDMN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2([C@@H](C)CCO)CCC2)c1[O-] ZINC000808710635 1048055161 /nfs/dbraw/zinc/05/51/61/1048055161.db2.gz SUSOOTGTAUUBKS-KBPBESRZSA-N 0 1 325.880 4.193 20 10 EICDMN CC[C@H]([NH2+]Cc1ccc(Br)cc1[O-])c1nc(C)cs1 ZINC000825252908 1048060366 /nfs/dbraw/zinc/06/03/66/1048060366.db2.gz BFJNHWHUKIUAEE-LBPRGKRZSA-N 0 1 341.274 4.161 20 10 EICDMN CCCCCn1cc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])c(C)n1 ZINC000825394481 1048088345 /nfs/dbraw/zinc/08/83/45/1048088345.db2.gz AUFYJHICTJUYOS-UHFFFAOYSA-N 0 1 335.879 4.339 20 10 EICDMN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(OC)c(F)c1F ZINC001143916693 1048300521 /nfs/dbraw/zinc/30/05/21/1048300521.db2.gz SVJCTCXTGGNWDE-UHFFFAOYSA-N 0 1 334.410 4.062 20 10 EICDMN CCN(C)c1ccc(CN[C@@H](C)c2ccc(Br)cn2)cc1 ZINC000815107412 1048350179 /nfs/dbraw/zinc/35/01/79/1048350179.db2.gz AHVYLUYXYHZTIM-ZDUSSCGKSA-N 0 1 348.288 4.151 20 10 EICDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1cc(Cl)ccc1F ZINC000809712131 1048491722 /nfs/dbraw/zinc/49/17/22/1048491722.db2.gz CRDWAGYKPIFCNY-UHFFFAOYSA-N 0 1 344.611 4.237 20 10 EICDMN C[C@@H](CCc1ccsc1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000809713657 1048492113 /nfs/dbraw/zinc/49/21/13/1048492113.db2.gz WOHNSCOXUODROZ-NSHDSACASA-N 0 1 340.286 4.327 20 10 EICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000809758163 1048521199 /nfs/dbraw/zinc/52/11/99/1048521199.db2.gz FIEZWBNHQUXPLA-OLZOCXBDSA-N 0 1 344.282 4.338 20 10 EICDMN CN(C)c1ccc(CN(Cc2cccnc2)C2CC2)c(C(F)(F)F)c1 ZINC000809763204 1048524392 /nfs/dbraw/zinc/52/43/92/1048524392.db2.gz LRDLMVXUHCKFIE-UHFFFAOYSA-N 0 1 349.400 4.331 20 10 EICDMN C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815589942 1048527892 /nfs/dbraw/zinc/52/78/92/1048527892.db2.gz HSXXYHIDCYYQPD-GFCCVEGCSA-N 0 1 344.421 4.325 20 10 EICDMN Oc1c(Cl)cccc1CN1CCCn2c(cc3ccccc32)C1 ZINC000809782981 1048532847 /nfs/dbraw/zinc/53/28/47/1048532847.db2.gz NFRLYBKXGIKUJS-UHFFFAOYSA-N 0 1 326.827 4.406 20 10 EICDMN C[C@@H]([NH2+]CCc1cccc(C(F)(F)F)n1)c1cc(Cl)ccc1[O-] ZINC000815636996 1048566363 /nfs/dbraw/zinc/56/63/63/1048566363.db2.gz IHNKYMUUJSKCOS-SNVBAGLBSA-N 0 1 344.764 4.353 20 10 EICDMN C[C@]1(F)CCC[N@@H+](Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144298563 1048573190 /nfs/dbraw/zinc/57/31/90/1048573190.db2.gz GSJMZSLDYOIPQM-AWEZNQCLSA-N 0 1 334.204 4.008 20 10 EICDMN CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000810043100 1048605870 /nfs/dbraw/zinc/60/58/70/1048605870.db2.gz OWBGUXMGPRWULO-OAHLLOKOSA-N 0 1 339.863 4.028 20 10 EICDMN CC[C@H]([NH2+]C[C@@H](CCO)CC(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810221068 1048690100 /nfs/dbraw/zinc/69/01/00/1048690100.db2.gz KLMPPZORGMAKCN-BBRMVZONSA-N 0 1 347.421 4.496 20 10 EICDMN CC[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810222978 1048691926 /nfs/dbraw/zinc/69/19/26/1048691926.db2.gz AUXVNXPNZLUGRX-XUJVJEKNSA-N 0 1 331.378 4.267 20 10 EICDMN CC[C@H]([NH2+][C@H](C)C1CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223497 1048691971 /nfs/dbraw/zinc/69/19/71/1048691971.db2.gz MKXHKQZWRKWMDN-ABAIWWIYSA-N 0 1 331.378 4.267 20 10 EICDMN CC[C@@H](NCc1ncccc1F)c1ccc(C(F)(F)F)cc1O ZINC000810228620 1048696286 /nfs/dbraw/zinc/69/62/86/1048696286.db2.gz XPQYKRFOZAZVLA-CYBMUJFWSA-N 0 1 328.309 4.186 20 10 EICDMN COc1ccc(O)c([C@@H](C)NCc2cscc2Br)c1 ZINC000845971181 1048773687 /nfs/dbraw/zinc/77/36/87/1048773687.db2.gz HWZVIGJTYTYUAA-SECBINFHSA-N 0 1 342.258 4.076 20 10 EICDMN [O-]c1c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)ccc2ccccc12 ZINC000816520378 1048820047 /nfs/dbraw/zinc/82/00/47/1048820047.db2.gz NSDCZPNYXUPWNL-PKOBYXMFSA-N 0 1 337.419 4.227 20 10 EICDMN [O-]c1c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)ccc2ccccc12 ZINC000816520378 1048820053 /nfs/dbraw/zinc/82/00/53/1048820053.db2.gz NSDCZPNYXUPWNL-PKOBYXMFSA-N 0 1 337.419 4.227 20 10 EICDMN CN(C)[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])c1cccc(F)c1 ZINC000816528553 1048824280 /nfs/dbraw/zinc/82/42/80/1048824280.db2.gz HUYPQMBSWYQHIV-FQEVSTJZSA-N 0 1 338.426 4.077 20 10 EICDMN COc1cccc([C@H](C)NCc2ccsc2Br)c1O ZINC000846166643 1048826581 /nfs/dbraw/zinc/82/65/81/1048826581.db2.gz BLAMXJKEDBKQGK-VIFPVBQESA-N 0 1 342.258 4.076 20 10 EICDMN Cc1nc2ccccc2n1CCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816529360 1048831423 /nfs/dbraw/zinc/83/14/23/1048831423.db2.gz QBYOXTPYMYBSBZ-UHFFFAOYSA-N 0 1 345.446 4.383 20 10 EICDMN C[C@H](O)[C@@](C)(C[NH2+]Cc1ccc2ccccc2c1[O-])Cc1ccccc1 ZINC000816590644 1048832477 /nfs/dbraw/zinc/83/24/77/1048832477.db2.gz HKRYZMHUOYWPNG-GAJHUEQPSA-N 0 1 349.474 4.265 20 10 EICDMN C[C@H](NCc1cc(Cl)c(F)cc1O)c1noc(-c2ccccc2)n1 ZINC000816556218 1048834496 /nfs/dbraw/zinc/83/44/96/1048834496.db2.gz CPDNIQSMXCLBOD-JTQLQIEISA-N 0 1 347.777 4.086 20 10 EICDMN Cn1cc(-c2ccccc2C[NH2+]Cc2ccc3ccccc3c2[O-])cn1 ZINC000816559349 1048835095 /nfs/dbraw/zinc/83/50/95/1048835095.db2.gz GTUYESSAIAUMMV-UHFFFAOYSA-N 0 1 343.430 4.236 20 10 EICDMN C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816559276 1048835216 /nfs/dbraw/zinc/83/52/16/1048835216.db2.gz DBFBJUHDRFAMRQ-VBKZILBWSA-N 0 1 339.410 4.286 20 10 EICDMN C[C@@H]([NH2+]Cc1ccc2ccccc2c1[O-])c1ccc([S@](C)=O)cc1 ZINC000816559398 1048835233 /nfs/dbraw/zinc/83/52/33/1048835233.db2.gz JBKCAMOXHUIUIW-SHACYNPGSA-N 0 1 339.460 4.134 20 10 EICDMN CC[C@H]([NH2+][C@@H](c1ccccc1F)[C@@H](C)O)c1cc(Cl)ccc1[O-] ZINC000846183458 1048837155 /nfs/dbraw/zinc/83/71/55/1048837155.db2.gz OKYDGAFPVJYBJE-DPZKZMLUSA-N 0 1 337.822 4.348 20 10 EICDMN CC[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817956842 1049067341 /nfs/dbraw/zinc/06/73/41/1049067341.db2.gz DZVIOYAPWPZIBN-MRXNPFEDSA-N 0 1 338.373 4.277 20 10 EICDMN Cc1cccc(CCC[NH2+][C@H](C)c2ccc(Br)cc2[O-])n1 ZINC000797015644 1049526415 /nfs/dbraw/zinc/52/64/15/1049526415.db2.gz HNTDOHKRHAOUGF-CYBMUJFWSA-N 0 1 349.272 4.142 20 10 EICDMN CCC[N@H+](Cc1ccccc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000179561600 1049675246 /nfs/dbraw/zinc/67/52/46/1049675246.db2.gz UBFQVLKCIVAVMR-UHFFFAOYSA-N 0 1 348.487 4.004 20 10 EICDMN CCC[N@@H+](Cc1ccccc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000179561600 1049675252 /nfs/dbraw/zinc/67/52/52/1049675252.db2.gz UBFQVLKCIVAVMR-UHFFFAOYSA-N 0 1 348.487 4.004 20 10 EICDMN Cc1cc([O-])c(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c(Cl)c1 ZINC000822530168 1049769144 /nfs/dbraw/zinc/76/91/44/1049769144.db2.gz SGUUABDZRXOFCG-SFHVURJKSA-N 0 1 335.875 4.135 20 10 EICDMN Cc1cc([O-])c(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c(Cl)c1 ZINC000822530168 1049769150 /nfs/dbraw/zinc/76/91/50/1049769150.db2.gz SGUUABDZRXOFCG-SFHVURJKSA-N 0 1 335.875 4.135 20 10 EICDMN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@@H]1OCCc2sccc21 ZINC000813884340 1049831507 /nfs/dbraw/zinc/83/15/07/1049831507.db2.gz IGVOXSKPWBHJRF-RVPKQNPDSA-N 0 1 337.872 4.460 20 10 EICDMN CC(=O)c1cc(F)cc(C[NH2+]C(C)(C)c2ccc(F)c(F)c2)c1[O-] ZINC000180880131 1049956472 /nfs/dbraw/zinc/95/64/72/1049956472.db2.gz QRMHLUZNGAGZNZ-UHFFFAOYSA-N 0 1 337.341 4.037 20 10 EICDMN CCc1cc(NCc2cc(Cl)cc(Cl)c2O)nc(CC)n1 ZINC001186627006 1050371143 /nfs/dbraw/zinc/37/11/43/1050371143.db2.gz NBRIERUAQSOTKL-UHFFFAOYSA-N 0 1 326.227 4.226 20 10 EICDMN FC(F)(F)c1cnccc1NCc1ccc(N2CCCCC2)cc1 ZINC001186888734 1050436048 /nfs/dbraw/zinc/43/60/48/1050436048.db2.gz OILMSXORNKGSLD-UHFFFAOYSA-N 0 1 335.373 4.125 20 10 EICDMN C[N@H+](CCc1cccc(NCc2cc(Cl)cc(F)c2[O-])c1)C1CC1 ZINC001178347285 1050441629 /nfs/dbraw/zinc/44/16/29/1050441629.db2.gz SLOBDAAGRVEDBW-UHFFFAOYSA-N 0 1 348.849 4.434 20 10 EICDMN C[N@@H+](CCc1cccc(NCc2cc(Cl)cc(F)c2[O-])c1)C1CC1 ZINC001178347285 1050441633 /nfs/dbraw/zinc/44/16/33/1050441633.db2.gz SLOBDAAGRVEDBW-UHFFFAOYSA-N 0 1 348.849 4.434 20 10 EICDMN COc1ccc2c(c1)[C@H](NCc1cc(F)c(N(C)C)cc1F)CCC2 ZINC001178369154 1050447420 /nfs/dbraw/zinc/44/74/20/1050447420.db2.gz GHMDBVXDUYINKH-LJQANCHMSA-N 0 1 346.421 4.207 20 10 EICDMN Cc1cc([O-])c(C[NH2+]Cc2sccc2Br)c(Cl)c1 ZINC001178625306 1050519866 /nfs/dbraw/zinc/51/98/66/1050519866.db2.gz RTFMELVLNAYSMK-UHFFFAOYSA-N 0 1 346.677 4.468 20 10 EICDMN Cc1cc(O)c(CNCc2sccc2Br)c(Cl)c1 ZINC001178625306 1050519881 /nfs/dbraw/zinc/51/98/81/1050519881.db2.gz RTFMELVLNAYSMK-UHFFFAOYSA-N 0 1 346.677 4.468 20 10 EICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000775137840 1050593658 /nfs/dbraw/zinc/59/36/58/1050593658.db2.gz QVMYFNHRLXDLSX-MRVPVSSYSA-N 0 1 328.161 4.473 20 10 EICDMN COc1ccc(O)c([C@@H](C)NCc2csc(-c3ccsc3)n2)c1 ZINC000182321429 1050604125 /nfs/dbraw/zinc/60/41/25/1050604125.db2.gz HWHDCPDGQGMVBU-LLVKDONJSA-N 0 1 346.477 4.437 20 10 EICDMN COc1ccc(O)c([C@H](C)NCc2coc(-c3ccc(F)cc3)n2)c1 ZINC000182363333 1050629408 /nfs/dbraw/zinc/62/94/08/1050629408.db2.gz UUKPQJNRGJRSGA-LBPRGKRZSA-N 0 1 342.370 4.046 20 10 EICDMN CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(F)c(F)c2[O-])s1 ZINC001179905742 1050829946 /nfs/dbraw/zinc/82/99/46/1050829946.db2.gz NVPVQXNDDWBXNB-SNVBAGLBSA-N 0 1 326.412 4.191 20 10 EICDMN Cc1cc(N(C)C)ccc1CN1CCc2c(F)cc(F)cc2[C@@H]1C ZINC001180112348 1050888378 /nfs/dbraw/zinc/88/83/78/1050888378.db2.gz IJHSYHBDGZFTEV-AWEZNQCLSA-N 0 1 330.422 4.459 20 10 EICDMN CC[C@H]([NH2+]Cc1scnc1C)c1cc(Br)ccc1[O-] ZINC000071212490 1051095089 /nfs/dbraw/zinc/09/50/89/1051095089.db2.gz UZKLEVIDYSZETJ-LBPRGKRZSA-N 0 1 341.274 4.161 20 10 EICDMN COc1ccc(O)c([C@@H](C)NCc2nc(-c3ccsc3)oc2C)c1 ZINC000775364251 1051133331 /nfs/dbraw/zinc/13/33/31/1051133331.db2.gz QEYBKAXBGJWXOP-LLVKDONJSA-N 0 1 344.436 4.277 20 10 EICDMN COc1ccc(O)c([C@H](C)NCc2nc(-c3ccccc3)oc2C)c1 ZINC000775368687 1051133750 /nfs/dbraw/zinc/13/37/50/1051133750.db2.gz DUJOHMVNWUOBNZ-ZDUSSCGKSA-N 0 1 338.407 4.215 20 10 EICDMN [O-]c1c(F)cc(F)cc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC001181600552 1051258396 /nfs/dbraw/zinc/25/83/96/1051258396.db2.gz MPPIPIJMNYYQQC-YQVWRLOYSA-N 0 1 329.390 4.439 20 10 EICDMN CN(Cc1cc(Cl)cc(F)c1O)[C@H](C1CCC1)C(F)(F)F ZINC001237621596 1051455582 /nfs/dbraw/zinc/45/55/82/1051455582.db2.gz CVJJLHSENWUSAR-CYBMUJFWSA-N 0 1 325.733 4.348 20 10 EICDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)cc1Cl ZINC001182299183 1051474427 /nfs/dbraw/zinc/47/44/27/1051474427.db2.gz WPRQWMCBMFPNMZ-JKSUJKDBSA-N 0 1 325.880 4.426 20 10 EICDMN CC[C@H]([NH2+]CCOc1ccccc1OC)c1cc(Cl)ccc1[O-] ZINC000775483618 1051555177 /nfs/dbraw/zinc/55/51/77/1051555177.db2.gz ZWMOKAHRNBDRGG-HNNXBMFYSA-N 0 1 335.831 4.174 20 10 EICDMN CC[C@@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1cc(Cl)ccc1[O-] ZINC000775488871 1051570852 /nfs/dbraw/zinc/57/08/52/1051570852.db2.gz VVVWHUHNFXIZEV-HZPDHXFCSA-N 0 1 338.904 4.451 20 10 EICDMN CC[N@@H+](CCOc1ccccc1C)Cc1cc(Cl)c(F)cc1[O-] ZINC001182471565 1051611062 /nfs/dbraw/zinc/61/10/62/1051611062.db2.gz YKOMSFWSZVGVPL-UHFFFAOYSA-N 0 1 337.822 4.394 20 10 EICDMN CC[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](=O)CC)C1)c1cc(Cl)ccc1[O-] ZINC000775513478 1051651748 /nfs/dbraw/zinc/65/17/48/1051651748.db2.gz ZQEAVCGDRNCCBO-RUEUISIXSA-N 0 1 343.920 4.166 20 10 EICDMN CC[C@H]([NH2+]CCc1ccc(Cl)nc1)c1cc(Cl)ccc1[O-] ZINC000775514431 1051666506 /nfs/dbraw/zinc/66/65/06/1051666506.db2.gz VOXQDVNMYJFTTC-AWEZNQCLSA-N 0 1 325.239 4.377 20 10 EICDMN CC[C@@H]([NH2+]Cc1nc2cc(F)ccc2n1C)c1cc(Cl)ccc1[O-] ZINC000775523130 1051691435 /nfs/dbraw/zinc/69/14/35/1051691435.db2.gz GZLBRIUVWRIREP-CQSZACIVSA-N 0 1 347.821 4.312 20 10 EICDMN Oc1cc(F)c(Cl)cc1CNCC(F)(F)c1ccc(F)cc1 ZINC001183058575 1051780507 /nfs/dbraw/zinc/78/05/07/1051780507.db2.gz FLJLNFRHBDNCIL-UHFFFAOYSA-N 0 1 333.712 4.205 20 10 EICDMN CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cc(Cl)ccc1[O-] ZINC000775540537 1051789458 /nfs/dbraw/zinc/78/94/58/1051789458.db2.gz LQPUUXCEINPNDP-AETAKHFUSA-N 0 1 335.875 4.434 20 10 EICDMN CC[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775551014 1051819056 /nfs/dbraw/zinc/81/90/56/1051819056.db2.gz GDCFYQRLYBFBOR-FUHWJXTLSA-N 0 1 333.859 4.080 20 10 EICDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(OC(F)F)cc2F)cc1Cl ZINC001183355930 1051828426 /nfs/dbraw/zinc/82/84/26/1051828426.db2.gz YSMVUQUUNYVBPB-UHFFFAOYSA-N 0 1 345.748 4.384 20 10 EICDMN CC[C@H](N[C@@H]1COc2cc(F)cc(F)c21)c1cc(Cl)ccc1O ZINC000775552896 1051831975 /nfs/dbraw/zinc/83/19/75/1051831975.db2.gz YKOYROVEXKJSFX-UONOGXRCSA-N 0 1 339.769 4.498 20 10 EICDMN COc1cccc2c1OCCC[C@H]2[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC001183582186 1051870733 /nfs/dbraw/zinc/87/07/33/1051870733.db2.gz JETHSOMZTSWFAD-MRXNPFEDSA-N 0 1 347.842 4.366 20 10 EICDMN C[C@H]1CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2[O-])C1 ZINC001237783949 1051900058 /nfs/dbraw/zinc/90/00/58/1051900058.db2.gz MONPPGFSHGGLBP-QMMMGPOBSA-N 0 1 338.167 4.015 20 10 EICDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC001183887564 1051915152 /nfs/dbraw/zinc/91/51/52/1051915152.db2.gz ZGDUTHQUFRDGMS-NSHDSACASA-N 0 1 340.851 4.096 20 10 EICDMN O=C(Nc1ccccc1-c1ccncc1)c1cc(O)c(O)c(Cl)c1 ZINC001193625112 1051957394 /nfs/dbraw/zinc/95/73/94/1051957394.db2.gz LZHUCMDPPSSUNM-UHFFFAOYSA-N 0 1 340.766 4.066 20 10 EICDMN O=C(Nc1c(Cl)ccc2ncccc21)c1cc(O)c(O)c(Cl)c1 ZINC001193624359 1051957453 /nfs/dbraw/zinc/95/74/53/1051957453.db2.gz AHYWFADMPNPRMH-UHFFFAOYSA-N 0 1 349.173 4.205 20 10 EICDMN Cc1cc([C@H](C)NC(=O)c2cc(O)c(O)c(Cl)c2)ccc1Cl ZINC001193633740 1051958582 /nfs/dbraw/zinc/95/85/82/1051958582.db2.gz FPFBLOMURIQTIE-VIFPVBQESA-N 0 1 340.206 4.204 20 10 EICDMN CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@@H](C)c1ccc(F)cc1 ZINC000774844502 1052198097 /nfs/dbraw/zinc/19/80/97/1052198097.db2.gz DHZGEGVYFPEISZ-LBPRGKRZSA-N 0 1 348.374 4.031 20 10 EICDMN CC(C)c1noc(CCC[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])n1 ZINC000185319331 1052580645 /nfs/dbraw/zinc/58/06/45/1052580645.db2.gz JFLJPLVJJUHPPI-AWEZNQCLSA-N 0 1 339.439 4.335 20 10 EICDMN COc1cc(CN[C@H](C)c2nc(C)cs2)c(O)c(C(C)(C)C)c1 ZINC000850117422 1053076737 /nfs/dbraw/zinc/07/67/37/1053076737.db2.gz BLNTYXUMHPTGQZ-GFCCVEGCSA-N 0 1 334.485 4.314 20 10 EICDMN CCN(CC)c1ccc(CN[C@H](COC)c2cccc(OC)c2)cc1 ZINC000850362757 1053134609 /nfs/dbraw/zinc/13/46/09/1053134609.db2.gz SATYTDYMQJZMAO-OAQYLSRUSA-N 0 1 342.483 4.019 20 10 EICDMN COC(=O)c1cc2cccc(NCc3ccc(F)c(F)c3O)c2s1 ZINC000864038756 1053178756 /nfs/dbraw/zinc/17/87/56/1053178756.db2.gz VPSDQWAEEJCHEV-UHFFFAOYSA-N 0 1 349.358 4.284 20 10 EICDMN CN(C)c1ccc(NCc2ccc(F)c(F)c2O)cc1C(F)(F)F ZINC000864040027 1053179921 /nfs/dbraw/zinc/17/99/21/1053179921.db2.gz HOTWOEYKDAUGOA-UHFFFAOYSA-N 0 1 346.299 4.367 20 10 EICDMN C[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1[O-])c1ccccn1 ZINC000850482555 1053254206 /nfs/dbraw/zinc/25/42/06/1053254206.db2.gz PMCUCKKSHZETMG-NEPJUHHUSA-N 0 1 335.245 4.004 20 10 EICDMN C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1)c1ccc2ccccc2c1[O-] ZINC000850540551 1053301404 /nfs/dbraw/zinc/30/14/04/1053301404.db2.gz MOCQQKNIKABDHC-XERREHJYSA-N 0 1 349.478 4.341 20 10 EICDMN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)c1[O-] ZINC000850539764 1053302655 /nfs/dbraw/zinc/30/26/55/1053302655.db2.gz GBNXMLFSKBYHOU-YEWWUXTCSA-N 0 1 347.890 4.150 20 10 EICDMN CC[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)c1cc(Cl)ccc1[O-] ZINC000850541300 1053303749 /nfs/dbraw/zinc/30/37/49/1053303749.db2.gz UZSBXWWLTJDJEQ-FHLIZLRMSA-N 0 1 347.890 4.231 20 10 EICDMN C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1ccc(Br)cc1[O-] ZINC000850551476 1053306313 /nfs/dbraw/zinc/30/63/13/1053306313.db2.gz IQEVMHBYYIJIIK-QPUJVOFHSA-N 0 1 334.204 4.097 20 10 EICDMN CC(C)[C@@H](O)[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000850555208 1053308787 /nfs/dbraw/zinc/30/87/87/1053308787.db2.gz NKBYHGCASAKIGA-FASAQXTFSA-N 0 1 333.859 4.454 20 10 EICDMN CC[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000850570198 1053325396 /nfs/dbraw/zinc/32/53/96/1053325396.db2.gz FSKZVWSTZHXMFH-OCCSQVGLSA-N 0 1 331.378 4.267 20 10 EICDMN C[C@H]([NH2+]CCC1SCCS1)c1ccc(Br)cc1[O-] ZINC000850570477 1053325705 /nfs/dbraw/zinc/32/57/05/1053325705.db2.gz JRZGPEZQCRXQBP-VIFPVBQESA-N 0 1 348.331 4.002 20 10 EICDMN COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2cccc(Cl)c2[O-])c1 ZINC000775644851 1053333187 /nfs/dbraw/zinc/33/31/87/1053333187.db2.gz WAXYJPNWFJZQTI-QGZVFWFLSA-N 0 1 347.842 4.400 20 10 EICDMN CC(C)([NH2+]Cc1cc(Br)ccc1[O-])c1cccs1 ZINC000735085475 1053353583 /nfs/dbraw/zinc/35/35/83/1053353583.db2.gz CERLMGMQEPSOJL-UHFFFAOYSA-N 0 1 326.259 4.241 20 10 EICDMN Cc1cc(C)c(NC(=O)[C@@H](C)N(C)Cc2ccccc2O)c(Cl)c1 ZINC000109773662 1053422357 /nfs/dbraw/zinc/42/23/57/1053422357.db2.gz XQRDOHAMWBYJIS-CQSZACIVSA-N 0 1 346.858 4.121 20 10 EICDMN Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000775658112 1053423635 /nfs/dbraw/zinc/42/36/35/1053423635.db2.gz MBGGZDLCTBPRTC-KRWDZBQOSA-N 0 1 341.842 4.269 20 10 EICDMN [O-]c1c(Cl)cccc1C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000775662426 1053429322 /nfs/dbraw/zinc/42/93/22/1053429322.db2.gz XGSWPPAWOIZWNN-KRWDZBQOSA-N 0 1 331.843 4.227 20 10 EICDMN COCCC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000794823579 1053437774 /nfs/dbraw/zinc/43/77/74/1053437774.db2.gz FVWUGRKPKDPBTC-CRAIPNDOSA-N 0 1 331.431 4.220 20 10 EICDMN [O-]c1c(Cl)cccc1C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000775665886 1053441913 /nfs/dbraw/zinc/44/19/13/1053441913.db2.gz MMUIKOKDCRHZHD-QGZVFWFLSA-N 0 1 349.833 4.366 20 10 EICDMN CCN(CC)c1ccc(CNCc2ccc(C(F)F)nc2)cc1F ZINC000865455784 1053513179 /nfs/dbraw/zinc/51/31/79/1053513179.db2.gz FTPHOABTTQKYFC-UHFFFAOYSA-N 0 1 337.389 4.294 20 10 EICDMN C[C@@H](NCc1nc(Cl)ccc1Br)c1ccccc1O ZINC001203536405 1053523317 /nfs/dbraw/zinc/52/33/17/1053523317.db2.gz RFAXSVYNNRYXAK-SECBINFHSA-N 0 1 341.636 4.054 20 10 EICDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c1O ZINC000852087402 1053548639 /nfs/dbraw/zinc/54/86/39/1053548639.db2.gz JNDFAQYTFSYJLU-CQSZACIVSA-N 0 1 344.842 4.023 20 10 EICDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c1[O-] ZINC000852087402 1053548659 /nfs/dbraw/zinc/54/86/59/1053548659.db2.gz JNDFAQYTFSYJLU-CQSZACIVSA-N 0 1 344.842 4.023 20 10 EICDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](c3ccccn3)C2)c1O ZINC000852087400 1053549219 /nfs/dbraw/zinc/54/92/19/1053549219.db2.gz JNDFAQYTFSYJLU-AWEZNQCLSA-N 0 1 344.842 4.023 20 10 EICDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](c3ccccn3)C2)c1[O-] ZINC000852087400 1053549239 /nfs/dbraw/zinc/54/92/39/1053549239.db2.gz JNDFAQYTFSYJLU-AWEZNQCLSA-N 0 1 344.842 4.023 20 10 EICDMN Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])[C@H](C)CO1 ZINC000775715467 1053663970 /nfs/dbraw/zinc/66/39/70/1053663970.db2.gz XQCULVTZNDQDNC-KDOFPFPSSA-N 0 1 331.843 4.316 20 10 EICDMN O=C(C[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1[O-])c1ccccc1 ZINC000775721187 1053682994 /nfs/dbraw/zinc/68/29/94/1053682994.db2.gz SHEGHRUJHPHCCR-MRXNPFEDSA-N 0 1 329.827 4.283 20 10 EICDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000775733775 1053713483 /nfs/dbraw/zinc/71/34/83/1053713483.db2.gz HZVCNXDTSVVVLH-SFHVURJKSA-N 0 1 345.870 4.269 20 10 EICDMN C[C@@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)c1ccc(Cl)cc1[O-] ZINC000866423004 1053724450 /nfs/dbraw/zinc/72/44/50/1053724450.db2.gz LRAGDOSBLFVRAS-CYBMUJFWSA-N 0 1 347.842 4.116 20 10 EICDMN C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)c1ccc2ccccc2c1[O-] ZINC000866512008 1053762800 /nfs/dbraw/zinc/76/28/00/1053762800.db2.gz HHXBZNZGEORENN-JNAXZKDPSA-N 0 1 325.452 4.401 20 10 EICDMN [O-]c1c(Cl)cccc1C[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000775741638 1053770410 /nfs/dbraw/zinc/77/04/10/1053770410.db2.gz UEYVDBRLHVFLRT-UHFFFAOYSA-N 0 1 340.250 4.084 20 10 EICDMN COc1cc(OC)c([C@@H](C)NCc2ccc3c(c2)CCO3)cc1Cl ZINC000765607387 1053797871 /nfs/dbraw/zinc/79/78/71/1053797871.db2.gz DKRZJERKZDPVEJ-GFCCVEGCSA-N 0 1 347.842 4.143 20 10 EICDMN C[C@@H](NCc1cc(C(F)(F)F)cc(Cl)n1)c1cc(F)ccc1O ZINC000872115600 1054396725 /nfs/dbraw/zinc/39/67/25/1054396725.db2.gz DWMHOCDHRWZLCV-MRVPVSSYSA-N 0 1 348.727 4.449 20 10 EICDMN C[C@@H](NCc1nc(-c2ccncc2)cs1)c1ccc(N(C)C)cc1 ZINC000872121999 1054400185 /nfs/dbraw/zinc/40/01/85/1054400185.db2.gz IPLZJVRXQXGTGQ-CQSZACIVSA-N 0 1 338.480 4.122 20 10 EICDMN COc1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])ccc1OC(C)C ZINC000775963522 1054410107 /nfs/dbraw/zinc/41/01/07/1054410107.db2.gz BHCIKCHUHXBUOR-UHFFFAOYSA-N 0 1 335.831 4.131 20 10 EICDMN Cc1nc([C@H]2CCCN2Cc2cc(Cl)cc(F)c2O)cs1 ZINC000775992655 1054433567 /nfs/dbraw/zinc/43/35/67/1054433567.db2.gz VQLVAFDFBYIDBN-CQSZACIVSA-N 0 1 326.824 4.287 20 10 EICDMN CC[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000858448815 1054493261 /nfs/dbraw/zinc/49/32/61/1054493261.db2.gz GOQDMNXQDXLATN-JSGCOSHPSA-N 0 1 347.768 4.086 20 10 EICDMN CC[C@H]([NH2+]Cc1ccc(N(C)C(C)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000858495453 1054501245 /nfs/dbraw/zinc/50/12/45/1054501245.db2.gz DPRRDCGHQIOJLI-SFHVURJKSA-N 0 1 346.858 4.269 20 10 EICDMN CC[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000858546518 1054513029 /nfs/dbraw/zinc/51/30/29/1054513029.db2.gz BGBLYHOCZUWLRK-DUVNUKRYSA-N 0 1 329.362 4.019 20 10 EICDMN COc1cccc([C@H](C)NC2(c3c(F)cccc3F)CCC2)c1O ZINC000858604955 1054534250 /nfs/dbraw/zinc/53/42/50/1054534250.db2.gz QPPYOGOQSONETC-LBPRGKRZSA-N 0 1 333.378 4.409 20 10 EICDMN Cc1cc([O-])c(C[NH2+][C@H](c2ccccc2)C(C)(C)CO)cc1Cl ZINC000825715952 1054637122 /nfs/dbraw/zinc/63/71/22/1054637122.db2.gz KULLQLCVLDUXBV-GOSISDBHSA-N 0 1 333.859 4.203 20 10 EICDMN Cc1ccc(NCc2cc(Cl)cc(Cl)c2[O-])c(N(C)C)[nH+]1 ZINC001201795482 1054905907 /nfs/dbraw/zinc/90/59/07/1054905907.db2.gz YPROPXFWYJQUIM-UHFFFAOYSA-N 0 1 326.227 4.081 20 10 EICDMN CN(c1ccc(CNCc2ccc(Cl)nn2)cc1)C1CCCCC1 ZINC000876988852 1054994461 /nfs/dbraw/zinc/99/44/61/1054994461.db2.gz OIDMABDVEKLHOM-UHFFFAOYSA-N 0 1 344.890 4.189 20 10 EICDMN C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862326514 1055049435 /nfs/dbraw/zinc/04/94/35/1055049435.db2.gz PHNJHGWHDYWCGU-MLGOLLRUSA-N 0 1 347.256 4.133 20 10 EICDMN C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862326514 1055049453 /nfs/dbraw/zinc/04/94/53/1055049453.db2.gz PHNJHGWHDYWCGU-MLGOLLRUSA-N 0 1 347.256 4.133 20 10 EICDMN Cc1ccc(NCc2ccc(F)c(F)c2O)cc1C(=O)N(C)C(C)C ZINC000877483360 1055062144 /nfs/dbraw/zinc/06/21/44/1055062144.db2.gz MXOOWOYWBULJAL-UHFFFAOYSA-N 0 1 348.393 4.071 20 10 EICDMN Oc1cc(F)c(Cl)cc1CN[C@H](c1nccs1)C(F)(F)F ZINC000862431426 1055064121 /nfs/dbraw/zinc/06/41/21/1055064121.db2.gz JACYPDKLVOAFKF-SNVBAGLBSA-N 0 1 340.729 4.034 20 10 EICDMN COc1ccc([C@H](C)[NH2+]Cc2cc(Cl)c(C)cc2[O-])c(OC)c1 ZINC000862485858 1055073965 /nfs/dbraw/zinc/07/39/65/1055073965.db2.gz SIXFPAZAEWMVGZ-LBPRGKRZSA-N 0 1 335.831 4.222 20 10 EICDMN C[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1ccns1 ZINC000862539937 1055080357 /nfs/dbraw/zinc/08/03/57/1055080357.db2.gz VBKQRRBBSWIHMP-JTQLQIEISA-N 0 1 329.391 4.079 20 10 EICDMN CC[C@@H](NCc1cn2cc(Cl)ccc2n1)c1ccc(N(C)C)cc1 ZINC000131572016 1055430855 /nfs/dbraw/zinc/43/08/55/1055430855.db2.gz VTVIBJUXXIUWED-GOSISDBHSA-N 0 1 342.874 4.295 20 10 EICDMN C[C@H]([NH2+]CCc1nn(C)c2ccccc12)c1ccc2ccccc2c1[O-] ZINC000186485790 1056563167 /nfs/dbraw/zinc/56/31/67/1056563167.db2.gz PNHMEKIWFOLTQY-HNNXBMFYSA-N 0 1 345.446 4.325 20 10 EICDMN Cc1ccc(CC[C@@H](C)[NH2+]Cc2cc(Br)ccc2[O-])o1 ZINC000742381230 1058584470 /nfs/dbraw/zinc/58/44/70/1058584470.db2.gz XCZGAGZGWCLREH-LLVKDONJSA-N 0 1 338.245 4.167 20 10 EICDMN CCN(CC)c1ccc(CN[C@H]2CCOc3ccc(OC)cc32)cc1 ZINC000767188008 1061138818 /nfs/dbraw/zinc/13/88/18/1061138818.db2.gz DGRUDDPUHIPUEL-FQEVSTJZSA-N 0 1 340.467 4.155 20 10 EICDMN Oc1c(Cl)cc(Cl)cc1CNc1cccc(-c2nnco2)c1 ZINC000120664819 1020005041 /nfs/dbraw/zinc/00/50/41/1020005041.db2.gz QIXHUEHKLXWHKZ-UHFFFAOYSA-N 0 1 336.178 4.361 20 10 EICDMN CCOC[C@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000748095665 1020302814 /nfs/dbraw/zinc/30/28/14/1020302814.db2.gz SYVAQNOTFXRUFO-AWEZNQCLSA-N 0 1 325.408 4.150 20 10 EICDMN CCOC[C@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000748095665 1020302826 /nfs/dbraw/zinc/30/28/26/1020302826.db2.gz SYVAQNOTFXRUFO-AWEZNQCLSA-N 0 1 325.408 4.150 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@@H+](Cc2ccccc2)CC(C)C)c1[O-] ZINC001167241267 1020654336 /nfs/dbraw/zinc/65/43/36/1020654336.db2.gz VYQGURGLQVTAHU-UHFFFAOYSA-N 0 1 329.415 4.392 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@H+](Cc2ccccc2)CC(C)C)c1[O-] ZINC001167241267 1020654349 /nfs/dbraw/zinc/65/43/49/1020654349.db2.gz VYQGURGLQVTAHU-UHFFFAOYSA-N 0 1 329.415 4.392 20 10 EICDMN C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000310651682 1021414120 /nfs/dbraw/zinc/41/41/20/1021414120.db2.gz VLJWTRISPUJYPV-ZIAGYGMSSA-N 0 1 344.455 4.109 20 10 EICDMN CN1CCN(c2ccc(CNc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC001167431133 1022390790 /nfs/dbraw/zinc/39/07/90/1022390790.db2.gz IPZSHLLPBVMCBX-UHFFFAOYSA-N 0 1 349.400 4.069 20 10 EICDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000781892867 1023325605 /nfs/dbraw/zinc/32/56/05/1023325605.db2.gz FWKUUJRETDJBLW-HNNXBMFYSA-N 0 1 335.245 4.128 20 10 EICDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000707142128 1023492919 /nfs/dbraw/zinc/49/29/19/1023492919.db2.gz FZFLUCPSELXHRF-MRXNPFEDSA-N 0 1 332.241 4.492 20 10 EICDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000707142128 1023492923 /nfs/dbraw/zinc/49/29/23/1023492923.db2.gz FZFLUCPSELXHRF-MRXNPFEDSA-N 0 1 332.241 4.492 20 10 EICDMN CC[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000377799463 1023763274 /nfs/dbraw/zinc/76/32/74/1023763274.db2.gz VCPRFKRESMCZTH-GXFFZTMASA-N 0 1 340.254 4.020 20 10 EICDMN CC[C@@H]([NH2+]Cc1ccc(C)c(C)n1)c1cc(Br)ccc1[O-] ZINC000313814625 1024329846 /nfs/dbraw/zinc/32/98/46/1024329846.db2.gz BSBJXHMTERYBLQ-MRXNPFEDSA-N 0 1 349.272 4.407 20 10 EICDMN CC[C@@H](C)c1nc([C@H](C)NCc2ccc(N3CCCCC3)cc2)n[nH]1 ZINC000277170809 1025212155 /nfs/dbraw/zinc/21/21/55/1025212155.db2.gz HUEYUOLMJMBICV-CVEARBPZSA-N 0 1 341.503 4.159 20 10 EICDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](c2ncccc2C)C(C)(C)C)c1[O-] ZINC000934292364 1026169133 /nfs/dbraw/zinc/16/91/33/1026169133.db2.gz YNDAHFLTSXGZIQ-LJQANCHMSA-N 0 1 344.430 4.314 20 10 EICDMN COc1cc(F)c([C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000168553855 1026191511 /nfs/dbraw/zinc/19/15/11/1026191511.db2.gz KCXUGLTVKHVGMC-ZIAGYGMSSA-N 0 1 346.446 4.321 20 10 EICDMN C[C@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)c1ccc2ccccc2c1[O-] ZINC000326882887 1026464239 /nfs/dbraw/zinc/46/42/39/1026464239.db2.gz CPEJIHUVFFPOQP-KKSFZXQISA-N 0 1 334.463 4.499 20 10 EICDMN CCc1cnc(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])s1 ZINC000185584712 1027769055 /nfs/dbraw/zinc/76/90/55/1027769055.db2.gz WVURJZPSJVAVRU-SECBINFHSA-N 0 1 341.274 4.024 20 10 EICDMN CCc1cnc(CN[C@H](C)c2ccc(Br)cc2O)s1 ZINC000185584712 1027769074 /nfs/dbraw/zinc/76/90/74/1027769074.db2.gz WVURJZPSJVAVRU-SECBINFHSA-N 0 1 341.274 4.024 20 10 EICDMN Cc1ncc(CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)s1 ZINC000123650686 1028085102 /nfs/dbraw/zinc/08/51/02/1028085102.db2.gz ACRZHELEMTYKBK-CYBMUJFWSA-N 0 1 333.476 4.432 20 10 EICDMN C[C@H]([NH2+]Cc1ccccc1-n1cccn1)c1cc(Cl)ccc1[O-] ZINC000185228985 1030133860 /nfs/dbraw/zinc/13/38/60/1030133860.db2.gz XSFHBIALPLGDPU-ZDUSSCGKSA-N 0 1 327.815 4.082 20 10 EICDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000527775013 1030853464 /nfs/dbraw/zinc/85/34/64/1030853464.db2.gz XQTOHOMEVPXWQU-QGZVFWFLSA-N 0 1 347.256 4.181 20 10 EICDMN C[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000527929648 1030971831 /nfs/dbraw/zinc/97/18/31/1030971831.db2.gz DVGYGZZZBFLVEC-MLGOLLRUSA-N 0 1 349.356 4.196 20 10 EICDMN COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])c(OC)c1 ZINC000527974115 1030987504 /nfs/dbraw/zinc/98/75/04/1030987504.db2.gz NFEICTXYCWTIOO-RYUDHWBXSA-N 0 1 335.831 4.475 20 10 EICDMN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccc(Br)cn1 ZINC000280274418 1035226590 /nfs/dbraw/zinc/22/65/90/1035226590.db2.gz YCBMKSLOZPYNBX-QWHCGFSZSA-N 0 1 348.288 4.322 20 10 EICDMN COc1ncccc1CN[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000151159385 1035536480 /nfs/dbraw/zinc/53/64/80/1035536480.db2.gz GYBXKNSDHPNAIG-QGZVFWFLSA-N 0 1 339.483 4.321 20 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CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cc(Cl)cc(Cl)c1[O-] ZINC000296256857 1042568437 /nfs/dbraw/zinc/56/84/37/1042568437.db2.gz DCKYQDOUWFSLTJ-IAYQEVDDSA-N 0 1 343.298 4.365 20 10 EICDMN Cc1cc(F)c(Br)cc1NCc1ccc(F)c(F)c1O ZINC000700788749 1043606615 /nfs/dbraw/zinc/60/66/15/1043606615.db2.gz RTUVRXOHPUEMTK-UHFFFAOYSA-N 0 1 346.146 4.493 20 10 EICDMN C[N@@H+](Cc1cc2oc3ccccc3c2cc1[O-])C[C@@H]1CCCOC1 ZINC000730804785 1043627839 /nfs/dbraw/zinc/62/78/39/1043627839.db2.gz ZNZVFGVURBLGLK-AWEZNQCLSA-N 0 1 325.408 4.150 20 10 EICDMN C[N@H+](Cc1cc2oc3ccccc3c2cc1[O-])C[C@@H]1CCCOC1 ZINC000730804785 1043627850 /nfs/dbraw/zinc/62/78/50/1043627850.db2.gz ZNZVFGVURBLGLK-AWEZNQCLSA-N 0 1 325.408 4.150 20 10 EICDMN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)cc2[O-])s1 ZINC000701094857 1043694128 /nfs/dbraw/zinc/69/41/28/1043694128.db2.gz QVTHQPUGXGFDNO-SNVBAGLBSA-N 0 1 326.259 4.375 20 10 EICDMN Cc1c(Br)cccc1NCc1ccc(F)c(F)c1O ZINC000703348372 1044130817 /nfs/dbraw/zinc/13/08/17/1044130817.db2.gz 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CN(C)c1ccc(CNCc2ccc(F)cc2F)c(C(F)(F)F)c1 ZINC000792944435 1046104949 /nfs/dbraw/zinc/10/49/49/1046104949.db2.gz DCEZZAVXWPECPM-UHFFFAOYSA-N 0 1 344.327 4.339 20 10 EICDMN C[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C)c1cc(Cl)ccc1[O-] ZINC000769984987 1046122238 /nfs/dbraw/zinc/12/22/38/1046122238.db2.gz BOSDZYLJUKLZJX-NJSLBKSFSA-N 0 1 332.875 4.388 20 10 EICDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000770289724 1046170317 /nfs/dbraw/zinc/17/03/17/1046170317.db2.gz GZQOYDCAZTZXCE-MLGOLLRUSA-N 0 1 337.872 4.195 20 10 EICDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000770289724 1046170323 /nfs/dbraw/zinc/17/03/23/1046170323.db2.gz GZQOYDCAZTZXCE-MLGOLLRUSA-N 0 1 337.872 4.195 20 10 EICDMN Cc1ccc(C)n1-c1ccc(C(=O)Nc2c(C)n[nH]c2C(F)F)cc1 ZINC000770551402 1046216689 /nfs/dbraw/zinc/21/66/89/1046216689.db2.gz VNXCMSKRANQFET-UHFFFAOYSA-N 0 1 344.365 4.316 20 10 EICDMN [O-]c1ccc2ccccc2c1C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000770669978 1046245229 /nfs/dbraw/zinc/24/52/29/1046245229.db2.gz XSIHTDHHTUKNNA-UHFFFAOYSA-N 0 1 332.447 4.395 20 10 EICDMN C[C@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1ccc2ccccc2c1[O-] ZINC000793566005 1046294628 /nfs/dbraw/zinc/29/46/28/1046294628.db2.gz JLUOHZNPGJJKSZ-LBPRGKRZSA-N 0 1 344.361 4.393 20 10 EICDMN CCN(CC)c1ccc(CNCc2cc(Cl)ccc2OC)cc1 ZINC000916836989 1046380309 /nfs/dbraw/zinc/38/03/09/1046380309.db2.gz DSGLLZDOOKSQEK-UHFFFAOYSA-N 0 1 332.875 4.485 20 10 EICDMN COc1cccc(CN(C)Cc2ccc(N(C)C)cc2)c1OC(C)C ZINC000771935396 1046528406 /nfs/dbraw/zinc/52/84/06/1046528406.db2.gz RCQQXPGFMCGRHB-UHFFFAOYSA-N 0 1 342.483 4.180 20 10 EICDMN CN(C)c1ccc(CN(Cc2cnn(-c3ccccc3)c2)C2CC2)cc1 ZINC000917074320 1046635545 /nfs/dbraw/zinc/63/55/45/1046635545.db2.gz XHDCYCPZQUFBKQ-UHFFFAOYSA-N 0 1 346.478 4.103 20 10 EICDMN Cc1ccc2nc(CN(Cc3ccc(N(C)C)cc3)C(C)C)cn2c1 ZINC000917075454 1046638195 /nfs/dbraw/zinc/63/81/95/1046638195.db2.gz WAJTYQMQXJPCRV-UHFFFAOYSA-N 0 1 336.483 4.119 20 10 EICDMN CC[C@@H]([NH2+]C[C@H](c1ccnn1C)C(C)C)c1cc(Cl)ccc1[O-] ZINC000788258313 1047146492 /nfs/dbraw/zinc/14/64/92/1047146492.db2.gz HFEXIMJUKHXFDN-JKSUJKDBSA-N 0 1 335.879 4.260 20 10 EICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cc(F)cc(F)c1 ZINC000806177212 1047202183 /nfs/dbraw/zinc/20/21/83/1047202183.db2.gz VYRTWPZKORSZDK-UHFFFAOYSA-N 0 1 347.148 4.299 20 10 EICDMN Cc1cc(C)c([C@H](C)NCc2c(F)cc(F)c(F)c2F)c(O)c1 ZINC000788800840 1047305537 /nfs/dbraw/zinc/30/55/37/1047305537.db2.gz WCYBEHWBGROZTH-JTQLQIEISA-N 0 1 327.321 4.416 20 10 EICDMN COc1c2ccccc2oc1CN[C@@H](C)c1cc(OC)ccc1O ZINC000788981716 1047350933 /nfs/dbraw/zinc/35/09/33/1047350933.db2.gz USJKGUJITYXUEQ-LBPRGKRZSA-N 0 1 327.380 4.006 20 10 EICDMN COc1c2ccccc2oc1CNCc1cc(Cl)cc(OC)c1O ZINC000789583965 1047443229 /nfs/dbraw/zinc/44/32/29/1047443229.db2.gz NDYJELUHKAHPRT-UHFFFAOYSA-N 0 1 347.798 4.099 20 10 EICDMN C[NH+](C)[C@H]1CCOc2c(NCc3cccc(Cl)c3[O-])cccc21 ZINC000789777881 1047473782 /nfs/dbraw/zinc/47/37/82/1047473782.db2.gz MRZRZHJVCHZRMH-INIZCTEOSA-N 0 1 332.831 4.043 20 10 EICDMN C[NH+](C)[C@@H]1CCOc2c(NCc3cccc(Cl)c3[O-])cccc21 ZINC000789777884 1047474403 /nfs/dbraw/zinc/47/44/03/1047474403.db2.gz MRZRZHJVCHZRMH-MRXNPFEDSA-N 0 1 332.831 4.043 20 10 EICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1C[C@H]1c1ccccc1 ZINC000807836548 1047519455 /nfs/dbraw/zinc/51/94/55/1047519455.db2.gz FDRPCSXBARGLAZ-UONOGXRCSA-N 0 1 336.218 4.119 20 10 EICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc2c(s1)CCC2 ZINC000807838349 1047524438 /nfs/dbraw/zinc/52/44/38/1047524438.db2.gz PNJUAZJDFNMZQH-UHFFFAOYSA-N 0 1 342.247 4.179 20 10 EICDMN O=[N+]([O-])c1cnc(NCc2cc(Cl)cc(Cl)c2O)c(Cl)c1 ZINC000808088851 1047602867 /nfs/dbraw/zinc/60/28/67/1047602867.db2.gz DVPJXLBFENBCHQ-UHFFFAOYSA-N 0 1 348.573 4.268 20 10 EICDMN Oc1ccccc1CN(Cc1cn(C2CCC2)nn1)C1CCCCC1 ZINC000824485023 1047873985 /nfs/dbraw/zinc/87/39/85/1047873985.db2.gz YQPXEPTXTJTJMB-UHFFFAOYSA-N 0 1 340.471 4.044 20 10 EICDMN C[C@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824775843 1047931853 /nfs/dbraw/zinc/93/18/53/1047931853.db2.gz CCWRWQYIMXMCJS-LLVKDONJSA-N 0 1 336.229 4.053 20 10 EICDMN C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824775843 1047931892 /nfs/dbraw/zinc/93/18/92/1047931892.db2.gz CCWRWQYIMXMCJS-LLVKDONJSA-N 0 1 336.229 4.053 20 10 EICDMN CCN(Cc1nc2ccccc2s1)Cc1ccc(N(C)C)cc1 ZINC001136958136 1047989447 /nfs/dbraw/zinc/98/94/47/1047989447.db2.gz ZVWNHHCZFCGMDG-UHFFFAOYSA-N 0 1 325.481 4.384 20 10 EICDMN Fc1cc2c(c(F)c1F)[C@H](NCc1ccc(N3CCCC3)cc1)CC2 ZINC000825046885 1048025171 /nfs/dbraw/zinc/02/51/71/1048025171.db2.gz YWKIREVTJTXJSF-QGZVFWFLSA-N 0 1 346.396 4.481 20 10 EICDMN Cc1cc([O-])c(C[NH2+]Cc2ccccc2OC(F)F)cc1Cl ZINC000825077618 1048033602 /nfs/dbraw/zinc/03/36/02/1048033602.db2.gz CJUNYZFQVIQFQI-UHFFFAOYSA-N 0 1 327.758 4.245 20 10 EICDMN CC[C@H]([NH2+]CCC[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000825143720 1048041632 /nfs/dbraw/zinc/04/16/32/1048041632.db2.gz IHTQFAYJOIUPPH-DOMZBBRYSA-N 0 1 331.378 4.268 20 10 EICDMN Cc1cc(Cl)cc([C@@H](C)N[C@H](C)c2nnc3n2CCCCC3)c1O ZINC000808674629 1048044977 /nfs/dbraw/zinc/04/49/77/1048044977.db2.gz KXYBMWVZRDPSSL-CHWSQXEVSA-N 0 1 348.878 4.084 20 10 EICDMN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1[O-] ZINC000808712042 1048057694 /nfs/dbraw/zinc/05/76/94/1048057694.db2.gz ZUUZGHUYKWKCSE-MZTNWIODSA-N 0 1 335.875 4.352 20 10 EICDMN C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825510306 1048107852 /nfs/dbraw/zinc/10/78/52/1048107852.db2.gz ZYIFQARBCIDNJZ-LRDDRELGSA-N 0 1 347.256 4.133 20 10 EICDMN C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825510306 1048107855 /nfs/dbraw/zinc/10/78/55/1048107855.db2.gz ZYIFQARBCIDNJZ-LRDDRELGSA-N 0 1 347.256 4.133 20 10 EICDMN C[C@H]1C[C@@H](c2cccnc2)N(Cc2ccc(Br)cc2O)C1 ZINC000825510306 1048107860 /nfs/dbraw/zinc/10/78/60/1048107860.db2.gz ZYIFQARBCIDNJZ-LRDDRELGSA-N 0 1 347.256 4.133 20 10 EICDMN [O-]c1ccc(Cl)cc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000809699994 1048465122 /nfs/dbraw/zinc/46/51/22/1048465122.db2.gz VPEBRQGUGGHARZ-QRVBRYPASA-N 0 1 343.854 4.050 20 10 EICDMN [O-]c1ccc(Cl)cc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000809699994 1048465135 /nfs/dbraw/zinc/46/51/35/1048465135.db2.gz VPEBRQGUGGHARZ-QRVBRYPASA-N 0 1 343.854 4.050 20 10 EICDMN CCN(CC)c1ccc(CN2CCC[C@H]2c2cccnc2)cc1F ZINC000809728757 1048480094 /nfs/dbraw/zinc/48/00/94/1048480094.db2.gz GXBCBRJYZNVRGC-IBGZPJMESA-N 0 1 327.447 4.404 20 10 EICDMN Cc1cc(Br)cc(CN2CCC[C@H]2c2cccnc2)c1O ZINC000809729029 1048482201 /nfs/dbraw/zinc/48/22/01/1048482201.db2.gz OUAIONHOFHUBDH-INIZCTEOSA-N 0 1 347.256 4.195 20 10 EICDMN CCC[N@@H+](CCc1ccccn1)Cc1cccc(Br)c1[O-] ZINC000809734734 1048485190 /nfs/dbraw/zinc/48/51/90/1048485190.db2.gz PGSKOPONOKPRPW-UHFFFAOYSA-N 0 1 349.272 4.004 20 10 EICDMN C[C@@H](CSC(C)(C)C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000809713192 1048490805 /nfs/dbraw/zinc/49/08/05/1048490805.db2.gz LMXHJRXXSRQOMV-JTQLQIEISA-N 0 1 332.307 4.165 20 10 EICDMN [O-]c1ccc2oc3c(c2c1C[N@@H+]1CC[C@]2(CC2(F)F)C1)CCCC3 ZINC000844756738 1048492734 /nfs/dbraw/zinc/49/27/34/1048492734.db2.gz LPVBYEIEIQESNQ-SFHVURJKSA-N 0 1 333.378 4.248 20 10 EICDMN [O-]c1ccc2oc3c(c2c1C[N@H+]1CC[C@]2(CC2(F)F)C1)CCCC3 ZINC000844756738 1048492747 /nfs/dbraw/zinc/49/27/47/1048492747.db2.gz LPVBYEIEIQESNQ-SFHVURJKSA-N 0 1 333.378 4.248 20 10 EICDMN Cc1cc(Br)cc(CN2CCc3cccc(O)c3C2)c1 ZINC001144222001 1048514355 /nfs/dbraw/zinc/51/43/55/1048514355.db2.gz KNVSFVHMDCOXIQ-UHFFFAOYSA-N 0 1 332.241 4.021 20 10 EICDMN Cc1cc(Br)c([O-])c(C[N@@H+](Cc2cccnc2)C2CC2)c1 ZINC000809763913 1048523303 /nfs/dbraw/zinc/52/33/03/1048523303.db2.gz SLQOOXZOQWPGOG-UHFFFAOYSA-N 0 1 347.256 4.023 20 10 EICDMN COc1ccncc1CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000815630148 1048552836 /nfs/dbraw/zinc/55/28/36/1048552836.db2.gz XSOOAEIAVNBGMT-HNNXBMFYSA-N 0 1 343.446 4.070 20 10 EICDMN CC[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000815643280 1048568883 /nfs/dbraw/zinc/56/88/83/1048568883.db2.gz YKJZTUMQLIGSPN-IINYFYTJSA-N 0 1 340.345 4.314 20 10 EICDMN C[N@@H+](CCc1cccs1)Cc1cc(Br)c(F)cc1[O-] ZINC001144299974 1048575602 /nfs/dbraw/zinc/57/56/02/1048575602.db2.gz NWVKEQQJELLZKL-UHFFFAOYSA-N 0 1 344.249 4.030 20 10 EICDMN CC[C@H]([NH2+]CCCC(C)(C)CO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218554 1048688104 /nfs/dbraw/zinc/68/81/04/1048688104.db2.gz BIMCDBMQKSXLJC-AWEZNQCLSA-N 0 1 333.394 4.250 20 10 EICDMN CC[C@@H]([NH2+]CCCC(C)(C)CO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218555 1048688869 /nfs/dbraw/zinc/68/88/69/1048688869.db2.gz BIMCDBMQKSXLJC-CQSZACIVSA-N 0 1 333.394 4.250 20 10 EICDMN CC[C@H]([NH2+][C@@H](C)C[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810224656 1048692263 /nfs/dbraw/zinc/69/22/63/1048692263.db2.gz XARGMUYPEYPEMU-ZOWXZIJZSA-N 0 1 331.378 4.267 20 10 EICDMN CC[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223973 1048692375 /nfs/dbraw/zinc/69/23/75/1048692375.db2.gz PRPHONARGDQHHP-LNSITVRQSA-N 0 1 331.378 4.003 20 10 EICDMN CC[C@H]([NH2+]C[C@H](OC)C(F)(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000810232335 1048698840 /nfs/dbraw/zinc/69/88/40/1048698840.db2.gz YHHFNUMJUPUVMQ-JQWIXIFHSA-N 0 1 345.283 4.029 20 10 EICDMN CC[C@@H]([NH2+]Cc1ccnc(OC)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810210220 1048707665 /nfs/dbraw/zinc/70/76/65/1048707665.db2.gz PLAOKPDRFZNCRN-CQSZACIVSA-N 0 1 340.345 4.056 20 10 EICDMN CC[C@@H]([NH2+]Cc1ccc(OC)nc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810210529 1048710059 /nfs/dbraw/zinc/71/00/59/1048710059.db2.gz XCQOMTGVSQOYML-CQSZACIVSA-N 0 1 340.345 4.056 20 10 EICDMN CC[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000810247608 1048726793 /nfs/dbraw/zinc/72/67/93/1048726793.db2.gz KUMXUHDPXFZYAE-BJLQDIEVSA-N 0 1 345.870 4.253 20 10 EICDMN C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000810245637 1048726935 /nfs/dbraw/zinc/72/69/35/1048726935.db2.gz FGLSGGLQTDEJTM-YROCYRMSSA-N 0 1 347.458 4.362 20 10 EICDMN COc1cc2c(cc1OC)C[N@H+](Cc1ccc3ccccc3c1[O-])CC2 ZINC000816481137 1048810471 /nfs/dbraw/zinc/81/04/71/1048810471.db2.gz KHHVCQMBPDBKCV-UHFFFAOYSA-N 0 1 349.430 4.121 20 10 EICDMN COc1cc2c(cc1OC)C[N@@H+](Cc1ccc3ccccc3c1[O-])CC2 ZINC000816481137 1048810472 /nfs/dbraw/zinc/81/04/72/1048810472.db2.gz KHHVCQMBPDBKCV-UHFFFAOYSA-N 0 1 349.430 4.121 20 10 EICDMN Oc1cc(F)c(Cl)cc1CN(Cc1cc[nH]n1)Cc1ccccc1 ZINC000816503088 1048821705 /nfs/dbraw/zinc/82/17/05/1048821705.db2.gz FAKUHIJDBJJZFL-UHFFFAOYSA-N 0 1 345.805 4.110 20 10 EICDMN [O-]c1c(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)ccc2ccccc21 ZINC000816515214 1048822767 /nfs/dbraw/zinc/82/27/67/1048822767.db2.gz SEWQMQMCSDLZII-QHCPKHFHSA-N 0 1 345.442 4.219 20 10 EICDMN [O-]c1c(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)ccc2ccccc21 ZINC000816515214 1048822770 /nfs/dbraw/zinc/82/27/70/1048822770.db2.gz SEWQMQMCSDLZII-QHCPKHFHSA-N 0 1 345.442 4.219 20 10 EICDMN [O-]c1c(C[NH+]2CCC(C3CCOCC3)CC2)ccc2ccccc21 ZINC000816515783 1048824878 /nfs/dbraw/zinc/82/48/78/1048824878.db2.gz KSIWPJJNTUPRNS-UHFFFAOYSA-N 0 1 325.452 4.184 20 10 EICDMN [O-]c1c(C[NH2+]Cc2ccc(OC(F)F)cc2)ccc2ccccc21 ZINC000816528436 1048830959 /nfs/dbraw/zinc/83/09/59/1048830959.db2.gz CBOHKFVRJCORCI-UHFFFAOYSA-N 0 1 329.346 4.437 20 10 EICDMN CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816589008 1048831978 /nfs/dbraw/zinc/83/19/78/1048831978.db2.gz IPCVONFFEQEXHY-LBPRGKRZSA-N 0 1 325.733 4.348 20 10 EICDMN Oc1c(CNCc2coc(-c3ccccc3)n2)ccc2ccccc21 ZINC000816551956 1048832840 /nfs/dbraw/zinc/83/28/40/1048832840.db2.gz WGWOQANZEAVBQL-UHFFFAOYSA-N 0 1 330.387 4.490 20 10 EICDMN [O-]c1c(C[NH2+]CCCc2ccc3c(c2)OCCO3)ccc2ccccc21 ZINC000816556468 1048833998 /nfs/dbraw/zinc/83/39/98/1048833998.db2.gz KBNSPENJMSEBHZ-UHFFFAOYSA-N 0 1 349.430 4.039 20 10 EICDMN CCN(C)c1ccc([C@H](C)N[C@H](c2ccccc2F)[C@@H](C)O)cc1 ZINC000846181507 1048835796 /nfs/dbraw/zinc/83/57/96/1048835796.db2.gz BOINGSSGLGEAGI-MDOVXXIYSA-N 0 1 330.447 4.055 20 10 EICDMN C[C@](O)(C[NH2+]Cc1ccc2ccccc2c1[O-])c1cccc(Cl)c1 ZINC000816570250 1048836605 /nfs/dbraw/zinc/83/66/05/1048836605.db2.gz NXEHLXOEGDOMNE-FQEVSTJZSA-N 0 1 341.838 4.196 20 10 EICDMN COCc1ccc([C@@H]2CCC[N@H+]2Cc2cc(Cl)c(F)cc2[O-])o1 ZINC000816570862 1048838764 /nfs/dbraw/zinc/83/87/64/1048838764.db2.gz JTDNSHQLTIWHQK-HNNXBMFYSA-N 0 1 339.794 4.261 20 10 EICDMN Oc1c(CNCc2ccn(Cc3ccccc3)n2)ccc2ccccc21 ZINC000816603841 1048841787 /nfs/dbraw/zinc/84/17/87/1048841787.db2.gz QUGBNPCWCVSUSA-UHFFFAOYSA-N 0 1 343.430 4.080 20 10 EICDMN Cc1cc(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])cc(C)n1 ZINC000817590462 1049019299 /nfs/dbraw/zinc/01/92/99/1049019299.db2.gz XNXKPNXOZBJTKP-GFCCVEGCSA-N 0 1 335.245 4.017 20 10 EICDMN CC1(C)C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@@H]1[C@@H]1CCCO1 ZINC000811510407 1049123962 /nfs/dbraw/zinc/12/39/62/1049123962.db2.gz FVGUENLLXDEWPU-DZGCQCFKSA-N 0 1 330.255 4.088 20 10 EICDMN CC[C@@H]([NH2+]C[C@](C)(OC)C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000812735233 1049555434 /nfs/dbraw/zinc/55/54/34/1049555434.db2.gz YFBDQLFGDWJAJD-ZBFHGGJFSA-N 0 1 331.378 4.267 20 10 EICDMN CC(C)(C)c1nc2c(ncnc2NCc2cc3ccccc3cc2O)[nH]1 ZINC001171403031 1049624349 /nfs/dbraw/zinc/62/43/49/1049624349.db2.gz WYGCNEMYDPVENA-UHFFFAOYSA-N 0 1 347.422 4.121 20 10 EICDMN Oc1cc2ccccc2cc1CNc1cc(OCC(F)(F)F)ccn1 ZINC001171405998 1049629339 /nfs/dbraw/zinc/62/93/39/1049629339.db2.gz DORMCIRCADIDAQ-UHFFFAOYSA-N 0 1 348.324 4.494 20 10 EICDMN CC[C@@H]([NH2+][C@H](C)c1ccns1)c1cc(Br)ccc1[O-] ZINC000715992931 1049664946 /nfs/dbraw/zinc/66/49/46/1049664946.db2.gz HGOZYPLNBBKPFG-BXKDBHETSA-N 0 1 341.274 4.413 20 10 EICDMN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000773255404 1049675231 /nfs/dbraw/zinc/67/52/31/1049675231.db2.gz AKVBBGATRAVCNN-DLBZAZTESA-N 0 1 325.452 4.184 20 10 EICDMN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000773255404 1049675241 /nfs/dbraw/zinc/67/52/41/1049675241.db2.gz AKVBBGATRAVCNN-DLBZAZTESA-N 0 1 325.452 4.184 20 10 EICDMN C[C@@H](NCc1ccc(N(C)C)cc1)c1sccc1Br ZINC000037233654 1049699517 /nfs/dbraw/zinc/69/95/17/1049699517.db2.gz KLGBGIBFVAOSHF-LLVKDONJSA-N 0 1 339.302 4.427 20 10 EICDMN CC(C)(C(=O)NCc1cc(Cl)cc(Cl)c1O)c1cccs1 ZINC000813683908 1049809027 /nfs/dbraw/zinc/80/90/27/1049809027.db2.gz HEYXMLQDQFSDHB-UHFFFAOYSA-N 0 1 344.263 4.355 20 10 EICDMN C[C@H]([NH2+][C@@H](C)[C@H]1OCCc2sccc21)c1cc(Cl)ccc1[O-] ZINC000813884339 1049831180 /nfs/dbraw/zinc/83/11/80/1049831180.db2.gz IGVOXSKPWBHJRF-PSVSLLHZSA-N 0 1 337.872 4.460 20 10 EICDMN CCOc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000807835112 1050470958 /nfs/dbraw/zinc/47/09/58/1050470958.db2.gz VNJOSDILZLTHDN-UHFFFAOYSA-N 0 1 340.206 4.028 20 10 EICDMN CN(C)c1cc(F)c(CNCc2ccc(C(C)(F)F)cc2)cc1F ZINC001178811857 1050560860 /nfs/dbraw/zinc/56/08/60/1050560860.db2.gz ZDFOWGSQKFOSKV-UHFFFAOYSA-N 0 1 340.364 4.432 20 10 EICDMN CCS[C@@H]1CCCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC001179892869 1050803566 /nfs/dbraw/zinc/80/35/66/1050803566.db2.gz VCJJXXSKHLXQEL-GFCCVEGCSA-N 0 1 344.318 4.262 20 10 EICDMN CCS[C@@H]1CCCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC001179892869 1050803572 /nfs/dbraw/zinc/80/35/72/1050803572.db2.gz VCJJXXSKHLXQEL-GFCCVEGCSA-N 0 1 344.318 4.262 20 10 EICDMN CCN(Cc1cc(Cl)c(F)cc1O)Cc1c(F)cccc1F ZINC001179868750 1050811474 /nfs/dbraw/zinc/81/14/74/1050811474.db2.gz IURHPDOXWPVEEX-UHFFFAOYSA-N 0 1 329.749 4.485 20 10 EICDMN COc1cc(C)c(C[N@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)c(O)c1 ZINC001179874464 1050813080 /nfs/dbraw/zinc/81/30/80/1050813080.db2.gz ZVPIADRJLUFQNY-APWZRJJASA-N 0 1 325.452 4.335 20 10 EICDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCCN(c2ccccc2)C1 ZINC001180203751 1050911488 /nfs/dbraw/zinc/91/14/88/1050911488.db2.gz ZCOARDWACHJZES-MRXNPFEDSA-N 0 1 348.849 4.286 20 10 EICDMN COc1cc(C)cc(CN2CCn3cccc3[C@H]2c2ccccc2)c1O ZINC001180244533 1050935293 /nfs/dbraw/zinc/93/52/93/1050935293.db2.gz FMQGZCVWPDWLHY-OAQYLSRUSA-N 0 1 348.446 4.116 20 10 EICDMN C[C@H](NCc1ccc(N2CCSCC2)cc1)c1cccc(F)c1F ZINC000183226594 1051026960 /nfs/dbraw/zinc/02/69/60/1051026960.db2.gz NJNNXUIPNWGYLU-AWEZNQCLSA-N 0 1 348.462 4.369 20 10 EICDMN Oc1c(F)cc(Cl)cc1CN1CCO[C@H](CCc2ccccc2)C1 ZINC001180666358 1051061111 /nfs/dbraw/zinc/06/11/11/1051061111.db2.gz XOWQJVIONHWHIM-QGZVFWFLSA-N 0 1 349.833 4.018 20 10 EICDMN COc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)c(Cl)c1OC ZINC000775365653 1051135122 /nfs/dbraw/zinc/13/51/22/1051135122.db2.gz VRAINTMWBHZJDR-ZDUSSCGKSA-N 0 1 348.874 4.274 20 10 EICDMN Oc1c(F)cc(F)cc1CN1CCn2c(cc3c2cccc3Cl)C1 ZINC001181316085 1051207448 /nfs/dbraw/zinc/20/74/48/1051207448.db2.gz WDTLALPBOJBDJB-UHFFFAOYSA-N 0 1 348.780 4.294 20 10 EICDMN CC(=O)c1cc(F)cc(C[NH2+]C(C)(C)c2cccc(Cl)c2)c1[O-] ZINC000775447061 1051395397 /nfs/dbraw/zinc/39/53/97/1051395397.db2.gz WDAJAROYSFRJES-UHFFFAOYSA-N 0 1 335.806 4.412 20 10 EICDMN CC(C)[C@@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CCCO1 ZINC001182097931 1051398742 /nfs/dbraw/zinc/39/87/42/1051398742.db2.gz BFWQJUIVRHJJPT-KRWDZBQOSA-N 0 1 344.421 4.018 20 10 EICDMN CC[C@H]([NH2+]Cc1ccc(NC(C)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000775484573 1051556602 /nfs/dbraw/zinc/55/66/02/1051556602.db2.gz FGKDHLXMKSNBQX-KRWDZBQOSA-N 0 1 332.831 4.245 20 10 EICDMN CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1[O-] ZINC000775498781 1051630417 /nfs/dbraw/zinc/63/04/17/1051630417.db2.gz OCBFXEKXTCIPEW-INIZCTEOSA-N 0 1 334.803 4.237 20 10 EICDMN CC[C@H]([NH2+]CCCc1nc(C(C)C)no1)c1cc(Cl)ccc1[O-] ZINC000775500782 1051637962 /nfs/dbraw/zinc/63/79/62/1051637962.db2.gz LBRAHYNRWILKOU-AWEZNQCLSA-N 0 1 337.851 4.226 20 10 EICDMN CC[C@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cc(Cl)ccc1[O-] ZINC000775504184 1051643809 /nfs/dbraw/zinc/64/38/09/1051643809.db2.gz VDGFFRNYTYTHJO-YGRLFVJLSA-N 0 1 345.830 4.429 20 10 EICDMN CC[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cc(Cl)ccc1[O-] ZINC000775504182 1051644865 /nfs/dbraw/zinc/64/48/65/1051644865.db2.gz VDGFFRNYTYTHJO-IINYFYTJSA-N 0 1 345.830 4.429 20 10 EICDMN CC[C@H]([NH2+][C@@H](C)CC(C)(C)OC)c1cc(Br)ccc1[O-] ZINC000775508048 1051645970 /nfs/dbraw/zinc/64/59/70/1051645970.db2.gz HFMQNKBJASQITI-FZMZJTMJSA-N 0 1 344.293 4.399 20 10 EICDMN CC[C@@H]([NH2+][C@@H](C)CC(C)(C)OC)c1cc(Br)ccc1[O-] ZINC000775508050 1051647094 /nfs/dbraw/zinc/64/70/94/1051647094.db2.gz HFMQNKBJASQITI-SMDDNHRTSA-N 0 1 344.293 4.399 20 10 EICDMN CC[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000775506727 1051647191 /nfs/dbraw/zinc/64/71/91/1051647191.db2.gz CSJGXXABTZXTJT-SDDDUWNISA-N 0 1 337.822 4.348 20 10 EICDMN CC[C@H]([NH2+][C@H](C)C[C@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000775513729 1051662962 /nfs/dbraw/zinc/66/29/62/1051662962.db2.gz LGCMUOIWTWHHKA-JMSVASOKSA-N 0 1 342.277 4.011 20 10 EICDMN COC(=O)CCC[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC001182683938 1051671563 /nfs/dbraw/zinc/67/15/63/1051671563.db2.gz IORQYNIRLIMMGR-CJNGLKHVSA-N 0 1 339.863 4.037 20 10 EICDMN CC[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000775526871 1051714241 /nfs/dbraw/zinc/71/42/41/1051714241.db2.gz MQASVCCMXXJDGJ-OPAMFIHVSA-N 0 1 337.872 4.024 20 10 EICDMN CCOc1ccc(N2CCN([C@H](C)c3ccc(F)cc3)CC2)cc1 ZINC001192412404 1051725407 /nfs/dbraw/zinc/72/54/07/1051725407.db2.gz HRNRIBKPBSXPBW-MRXNPFEDSA-N 0 1 328.431 4.108 20 10 EICDMN [O-]c1c(C[N@@H+]2CCC[C@H](Cc3nccs3)C2)ccc2ccccc21 ZINC001183886712 1051914489 /nfs/dbraw/zinc/91/44/89/1051914489.db2.gz UQDYPLYJOPXEAF-OAHLLOKOSA-N 0 1 338.476 4.457 20 10 EICDMN [O-]c1c(C[N@H+]2CCC[C@H](Cc3nccs3)C2)ccc2ccccc21 ZINC001183886712 1051914499 /nfs/dbraw/zinc/91/44/99/1051914499.db2.gz UQDYPLYJOPXEAF-OAHLLOKOSA-N 0 1 338.476 4.457 20 10 EICDMN C[C@@H]1C(=O)CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C12CCCC2 ZINC001203584446 1051968852 /nfs/dbraw/zinc/96/88/52/1051968852.db2.gz AUQOLRLXVAOHCW-LLVKDONJSA-N 0 1 342.266 4.423 20 10 EICDMN C[C@@H]1C(=O)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C12CCCC2 ZINC001203584446 1051968860 /nfs/dbraw/zinc/96/88/60/1051968860.db2.gz AUQOLRLXVAOHCW-LLVKDONJSA-N 0 1 342.266 4.423 20 10 EICDMN COc1c([O-])c(C[N@@H+]2CCCCC[C@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000774883492 1052244221 /nfs/dbraw/zinc/24/42/21/1052244221.db2.gz FZMUGJDVYKLOKE-AWEZNQCLSA-N 0 1 346.383 4.019 20 10 EICDMN COc1c([O-])c(C[N@H+]2CCCCC[C@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000774883492 1052244227 /nfs/dbraw/zinc/24/42/27/1052244227.db2.gz FZMUGJDVYKLOKE-AWEZNQCLSA-N 0 1 346.383 4.019 20 10 EICDMN C[C@H](NCc1cccnc1OC1CCCC1)c1cc(F)ccc1O ZINC000185010518 1052360730 /nfs/dbraw/zinc/36/07/30/1052360730.db2.gz CMDYCJBNPQYYTC-ZDUSSCGKSA-N 0 1 330.403 4.099 20 10 EICDMN CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])cc1 ZINC000185338138 1052582057 /nfs/dbraw/zinc/58/20/57/1052582057.db2.gz IRVKCBSENKMOEI-HNNXBMFYSA-N 0 1 348.446 4.397 20 10 EICDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000131184537 1052592470 /nfs/dbraw/zinc/59/24/70/1052592470.db2.gz YDTRFQBAQULUFZ-MRXNPFEDSA-N 0 1 331.843 4.084 20 10 EICDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000131184537 1052592476 /nfs/dbraw/zinc/59/24/76/1052592476.db2.gz YDTRFQBAQULUFZ-MRXNPFEDSA-N 0 1 331.843 4.084 20 10 EICDMN COc1cc(CNC(C)(C)c2nccs2)c(O)c(C(C)(C)C)c1 ZINC000850138812 1053078311 /nfs/dbraw/zinc/07/83/11/1053078311.db2.gz JUFHVOXBTKUHEU-UHFFFAOYSA-N 0 1 334.485 4.180 20 10 EICDMN COc1cc(CNCc2nc(C3CC3)cs2)c(O)c(C(C)(C)C)c1 ZINC000850193599 1053083811 /nfs/dbraw/zinc/08/38/11/1053083811.db2.gz KNYVTBTWDLIKCH-UHFFFAOYSA-N 0 1 346.496 4.322 20 10 EICDMN C[C@H](Nc1cccc(-n2nccn2)c1)c1ccc(Cl)c(Cl)c1O ZINC000864024159 1053158614 /nfs/dbraw/zinc/15/86/14/1053158614.db2.gz VVCVDPFOGPETES-JTQLQIEISA-N 0 1 349.221 4.453 20 10 EICDMN C[C@@H](N[C@@H](C)c1ccc(Br)cc1O)c1cscn1 ZINC000850511786 1053269776 /nfs/dbraw/zinc/26/97/76/1053269776.db2.gz NDONDHJYNSHCQB-DTWKUNHWSA-N 0 1 327.247 4.023 20 10 EICDMN CC[C@@H]([NH2+]C[C@@H](C)c1ccccn1)c1cc(Br)ccc1[O-] ZINC000850482032 1053252357 /nfs/dbraw/zinc/25/23/57/1053252357.db2.gz MDJXAEDGMXIETH-IUODEOHRSA-N 0 1 349.272 4.394 20 10 EICDMN CC[C@H]([NH2+]CCC1CC(OC)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850483573 1053255127 /nfs/dbraw/zinc/25/51/27/1053255127.db2.gz YWIRPOUXMJZSDJ-HGMXIMQMSA-N 0 1 331.378 4.267 20 10 EICDMN COc1ccc(N2CC[C@H](N[C@@H](C)c3csc(C(C)C)n3)C2)cc1 ZINC000850488780 1053257479 /nfs/dbraw/zinc/25/74/79/1053257479.db2.gz OSJGBOFIWGEWGQ-GJZGRUSLSA-N 0 1 345.512 4.205 20 10 EICDMN C[C@@H](N[C@H](C)c1cc(Br)ccc1O)c1cscn1 ZINC000850511476 1053270686 /nfs/dbraw/zinc/27/06/86/1053270686.db2.gz FYAJPHKZGIFUPH-RKDXNWHRSA-N 0 1 327.247 4.023 20 10 EICDMN C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)c1ccc2ccccc2c1[O-] ZINC000850540549 1053302262 /nfs/dbraw/zinc/30/22/62/1053302262.db2.gz MOCQQKNIKABDHC-RRMPHLOHSA-N 0 1 349.478 4.341 20 10 EICDMN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)c1[O-] ZINC000850539756 1053302336 /nfs/dbraw/zinc/30/23/36/1053302336.db2.gz GBNXMLFSKBYHOU-DHSIGJKJSA-N 0 1 347.890 4.150 20 10 EICDMN C[C@H]([NH2+]CCC1SCCS1)c1cc(Br)ccc1[O-] ZINC000850571387 1053324336 /nfs/dbraw/zinc/32/43/36/1053324336.db2.gz UXAIEBIYRBBUPX-VIFPVBQESA-N 0 1 348.331 4.002 20 10 EICDMN C[C@@H]([NH2+]CCC1SCCS1)c1ccc(Br)cc1[O-] ZINC000850570476 1053324775 /nfs/dbraw/zinc/32/47/75/1053324775.db2.gz JRZGPEZQCRXQBP-SECBINFHSA-N 0 1 348.331 4.002 20 10 EICDMN C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000850572096 1053327726 /nfs/dbraw/zinc/32/77/26/1053327726.db2.gz AJZQVVRNYFHZGH-VWKPWSFCSA-N 0 1 335.447 4.361 20 10 EICDMN CC[N@H+](CCCc1ccncc1)Cc1cc(Br)ccc1[O-] ZINC000764959229 1053393896 /nfs/dbraw/zinc/39/38/96/1053393896.db2.gz BHQIEUNFTXIHJW-UHFFFAOYSA-N 0 1 349.272 4.004 20 10 EICDMN CC[N@@H+](CCCc1ccncc1)Cc1cc(Br)ccc1[O-] ZINC000764959229 1053393910 /nfs/dbraw/zinc/39/39/10/1053393910.db2.gz BHQIEUNFTXIHJW-UHFFFAOYSA-N 0 1 349.272 4.004 20 10 EICDMN Cc1cc(Br)cc(C[N@H+](Cc2ccccn2)C(C)C)c1O ZINC000775657460 1053414380 /nfs/dbraw/zinc/41/43/80/1053414380.db2.gz ANRQRARAEHKYPE-UHFFFAOYSA-N 0 1 349.272 4.269 20 10 EICDMN C[C@H](C(=O)Nc1ccc2ccccc2c1)N(C)Cc1ccccc1O ZINC000109770877 1053421956 /nfs/dbraw/zinc/42/19/56/1053421956.db2.gz VTCZSAMGMNSTMA-OAHLLOKOSA-N 0 1 334.419 4.004 20 10 EICDMN COCCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000794823585 1053438425 /nfs/dbraw/zinc/43/84/25/1053438425.db2.gz FVWUGRKPKDPBTC-YJBOKZPZSA-N 0 1 331.431 4.220 20 10 EICDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000775670457 1053466041 /nfs/dbraw/zinc/46/60/41/1053466041.db2.gz ZHKNVSWIBVLXFO-PKOBYXMFSA-N 0 1 331.843 4.134 20 10 EICDMN C[C@@H](NCc1cccc(F)c1OC(F)F)c1ccc(N(C)C)cc1 ZINC000851949652 1053536641 /nfs/dbraw/zinc/53/66/41/1053536641.db2.gz HLHTXTFHELIGOW-GFCCVEGCSA-N 0 1 338.373 4.344 20 10 EICDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000775679338 1053554612 /nfs/dbraw/zinc/55/46/12/1053554612.db2.gz XSGYTDCWIKPFSA-KRWDZBQOSA-N 0 1 335.806 4.148 20 10 EICDMN COc1ccc(Cl)cc1[C@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000765473181 1053561722 /nfs/dbraw/zinc/56/17/22/1053561722.db2.gz DRKMCWZGTWLBNX-LBPRGKRZSA-N 0 1 336.838 4.405 20 10 EICDMN CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2cccc(Cl)c2[O-])c1 ZINC000775707665 1053639614 /nfs/dbraw/zinc/63/96/14/1053639614.db2.gz YJEWEIMMKFUQME-GOSISDBHSA-N 0 1 330.859 4.449 20 10 EICDMN C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000775715063 1053663187 /nfs/dbraw/zinc/66/31/87/1053663187.db2.gz BGEAEPGAOHNUKA-PXAZEXFGSA-N 0 1 335.806 4.147 20 10 EICDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000775717298 1053672181 /nfs/dbraw/zinc/67/21/81/1053672181.db2.gz ARKZTJFLLWZBEO-HNNXBMFYSA-N 0 1 327.827 4.108 20 10 EICDMN O=C(C[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1[O-])c1ccccc1 ZINC000775721185 1053682540 /nfs/dbraw/zinc/68/25/40/1053682540.db2.gz SHEGHRUJHPHCCR-INIZCTEOSA-N 0 1 329.827 4.283 20 10 EICDMN C[C@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)c1ccc(Cl)cc1[O-] ZINC000866423006 1053725824 /nfs/dbraw/zinc/72/58/24/1053725824.db2.gz LRAGDOSBLFVRAS-ZDUSSCGKSA-N 0 1 347.842 4.116 20 10 EICDMN Cc1ncc([C@H](C)[NH2+][C@@H](C)c2cc(Br)ccc2[O-])s1 ZINC000866455475 1053738088 /nfs/dbraw/zinc/73/80/88/1053738088.db2.gz LYVYMCOUQKLQED-IUCAKERBSA-N 0 1 341.274 4.331 20 10 EICDMN C[C@@H](NCc1noc2ccc(F)cc21)c1cc2c(cc1O)CCCC2 ZINC000866510625 1053759572 /nfs/dbraw/zinc/75/95/72/1053759572.db2.gz GFYOKNQKTJQWFD-GFCCVEGCSA-N 0 1 340.398 4.402 20 10 EICDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000776816154 1053944800 /nfs/dbraw/zinc/94/48/00/1053944800.db2.gz NNPBIGXAPRMSPL-AWEZNQCLSA-N 0 1 329.749 4.481 20 10 EICDMN C[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000775834527 1054120461 /nfs/dbraw/zinc/12/04/61/1054120461.db2.gz URCQOJXZBUGRSC-GFCCVEGCSA-N 0 1 333.819 4.165 20 10 EICDMN CN(c1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1)C1CCCCC1 ZINC000857851131 1054372274 /nfs/dbraw/zinc/37/22/74/1054372274.db2.gz IDFHPZMNUYUPJP-FQEVSTJZSA-N 0 1 338.499 4.346 20 10 EICDMN [O-]c1cccc(Br)c1C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000858090279 1054414012 /nfs/dbraw/zinc/41/40/12/1054414012.db2.gz KLIRNSRRQBHUQO-OAHLLOKOSA-N 0 1 338.270 4.457 20 10 EICDMN COc1ccc([C@@H](C)NCc2cc(F)c(N(C)C)cc2F)cc1F ZINC000858090339 1054415042 /nfs/dbraw/zinc/41/50/42/1054415042.db2.gz MTPISAQSJKDQGX-LLVKDONJSA-N 0 1 338.373 4.029 20 10 EICDMN CC(C)([NH2+]Cc1c([O-])cccc1Br)c1ccc(F)cc1 ZINC000858124396 1054419999 /nfs/dbraw/zinc/41/99/99/1054419999.db2.gz UDKCHXMFQMIEGJ-UHFFFAOYSA-N 0 1 338.220 4.319 20 10 EICDMN COc1cc(Cl)cc(CN2CCC[C@@H](C(F)(F)F)[C@@H]2C)c1O ZINC000776013721 1054447761 /nfs/dbraw/zinc/44/77/61/1054447761.db2.gz NWWJCVBDHIDETN-JOYOIKCWSA-N 0 1 337.769 4.217 20 10 EICDMN Cc1cc(CNCc2cn(C)nc2C(F)F)c(C)n1-c1ccccc1 ZINC000858294631 1054455909 /nfs/dbraw/zinc/45/59/09/1054455909.db2.gz LFSXMEOUDYCCEY-UHFFFAOYSA-N 0 1 344.409 4.055 20 10 EICDMN Cc1cc(CNCc2cnc(C3CC3)nc2)c(C)n1-c1ccccc1 ZINC000858294959 1054456323 /nfs/dbraw/zinc/45/63/23/1054456323.db2.gz RTJXNBHVMJMDAE-UHFFFAOYSA-N 0 1 332.451 4.051 20 10 EICDMN [O-]c1ccc2ccncc2c1C[NH+]1CCC2(CCSCC2)CC1 ZINC000872642195 1054456713 /nfs/dbraw/zinc/45/67/13/1054456713.db2.gz AYAFMIWQSLTFTF-UHFFFAOYSA-N 0 1 328.481 4.050 20 10 EICDMN COCc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1OC ZINC000858309702 1054460158 /nfs/dbraw/zinc/46/01/58/1054460158.db2.gz HJGFBOQMQCOIBV-UHFFFAOYSA-N 0 1 342.222 4.466 20 10 EICDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccccc1CC(F)(F)F ZINC000858330428 1054466812 /nfs/dbraw/zinc/46/68/12/1054466812.db2.gz VIDKIJGTAVSKKK-UHFFFAOYSA-N 0 1 329.749 4.440 20 10 EICDMN COc1ccc(CNCc2cc(C(F)(F)F)cc(Cl)n2)cc1C ZINC000873170511 1054496998 /nfs/dbraw/zinc/49/69/98/1054496998.db2.gz YIISQAYMYBLYOU-UHFFFAOYSA-N 0 1 344.764 4.361 20 10 EICDMN C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000858490528 1054498737 /nfs/dbraw/zinc/49/87/37/1054498737.db2.gz JUZDEMCKRHVVGQ-NWDGAFQWSA-N 0 1 331.287 4.082 20 10 EICDMN Cc1cc(CN[C@@H](C)c2cnc(C)nc2C)c(C)n1-c1ccccc1 ZINC000858541509 1054511512 /nfs/dbraw/zinc/51/15/12/1054511512.db2.gz ARCYROMALNIUTK-HNNXBMFYSA-N 0 1 334.467 4.352 20 10 EICDMN Cc1cc(CN[C@@H](C)c2cncnc2C)c(C)n1-c1cccc(C)c1 ZINC000858543088 1054512133 /nfs/dbraw/zinc/51/21/33/1054512133.db2.gz PYBQWQULVOVSKW-INIZCTEOSA-N 0 1 334.467 4.352 20 10 EICDMN CC(C)(C)OC(=O)c1cccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000776256370 1055092591 /nfs/dbraw/zinc/09/25/91/1055092591.db2.gz AFAXUWSEDHTFQS-UHFFFAOYSA-N 0 1 347.842 4.291 20 10 EICDMN Cc1cc(CN(Cc2ccccc2O)[C@H](C)c2ccccc2)ncn1 ZINC000794452280 1055123715 /nfs/dbraw/zinc/12/37/15/1055123715.db2.gz ANZRHEWKIILBBB-QGZVFWFLSA-N 0 1 333.435 4.254 20 10 EICDMN C[C@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1cc(Cl)ccc1[O-] ZINC000765821089 1055667491 /nfs/dbraw/zinc/66/74/91/1055667491.db2.gz YSMIPOPTMNRYAE-GTNSWQLSSA-N 0 1 340.250 4.257 20 10 EICDMN Cc1ccc(CC[C@H](C)[NH2+]Cc2cc(Br)ccc2[O-])o1 ZINC000742381231 1058583237 /nfs/dbraw/zinc/58/32/37/1058583237.db2.gz XCZGAGZGWCLREH-NSHDSACASA-N 0 1 338.245 4.167 20 10 EICDMN CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000742385805 1058588114 /nfs/dbraw/zinc/58/81/14/1058588114.db2.gz VLGLJUKRHOESGC-UHFFFAOYSA-N 0 1 347.842 4.291 20 10 EICDMN CC[C@H]([NH2+]CC[C@@H](OC)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000786953943 1046883227 /nfs/dbraw/zinc/88/32/27/1046883227.db2.gz PGCYSIHNRJWQKK-WCQYABFASA-N 0 1 325.758 4.054 20 10 EICDMN C[C@@H]([NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)c1ccc(Cl)cc1[O-] ZINC000841752509 1032337161 /nfs/dbraw/zinc/33/71/61/1032337161.db2.gz PGMJNQNFOXPNMM-ABKXIKBNSA-N 0 1 344.213 4.222 20 10 EICDMN Cc1cccc2nc(CN[C@H](C)c3ccc(N4CCCCC4)cc3)cn21 ZINC000160288431 1020805109 /nfs/dbraw/zinc/80/51/09/1020805109.db2.gz AGUPTFCOIQOZQV-GOSISDBHSA-N 0 1 348.494 4.484 20 10 EICDMN CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])cc1 ZINC000184916293 1022971931 /nfs/dbraw/zinc/97/19/31/1022971931.db2.gz CHIXOCNSBWZCGJ-CQSZACIVSA-N 0 1 334.419 4.355 20 10 EICDMN C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1)c1ccc2ccccc2c1[O-] ZINC000185468521 1023046167 /nfs/dbraw/zinc/04/61/67/1023046167.db2.gz MZUQLWXBFUAAJX-YRVVQQKDSA-N 0 1 339.410 4.457 20 10 EICDMN COC[C@H](N[C@H](C)c1cc2c(cc1O)CCCC2)c1ccc(C)o1 ZINC000185630775 1023059939 /nfs/dbraw/zinc/05/99/39/1023059939.db2.gz KEBURQOQHAEHBN-KDOFPFPSSA-N 0 1 329.440 4.211 20 10 EICDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@H]2c2cccn2C)c1 ZINC000781895556 1023375895 /nfs/dbraw/zinc/37/58/95/1023375895.db2.gz VARVCWWLKUGFSU-MRXNPFEDSA-N 0 1 349.272 4.139 20 10 EICDMN CCOCc1cc(CN[C@@H]2CCOc3c(C)cccc32)ccc1OC ZINC000188872187 1023386621 /nfs/dbraw/zinc/38/66/21/1023386621.db2.gz YQSSQEFZGUJGKX-LJQANCHMSA-N 0 1 341.451 4.154 20 10 EICDMN COc1cccc([C@H](NCc2cc(C)c(C)cc2O)c2ccccn2)c1 ZINC000364191520 1023472504 /nfs/dbraw/zinc/47/25/04/1023472504.db2.gz UEGJONWQLPLIHJ-QFIPXVFZSA-N 0 1 348.446 4.292 20 10 EICDMN C[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccc2ccccc2c1[O-] ZINC000326689193 1025202664 /nfs/dbraw/zinc/20/26/64/1025202664.db2.gz QHFIFJOAZHGBBV-ZBFHGGJFSA-N 0 1 335.403 4.036 20 10 EICDMN CC[C@H](C)c1nc([C@@H](C)NCc2ccc(N3CCCCC3)cc2)n[nH]1 ZINC000277170812 1025212777 /nfs/dbraw/zinc/21/27/77/1025212777.db2.gz HUEYUOLMJMBICV-JKSUJKDBSA-N 0 1 341.503 4.159 20 10 EICDMN [O-]c1c(Cl)cc(Cl)cc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000317074414 1025429897 /nfs/dbraw/zinc/42/98/97/1025429897.db2.gz NNCRMDNILQQIMW-UHFFFAOYSA-N 0 1 343.298 4.007 20 10 EICDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1ccc(Cl)s1 ZINC000227441092 1026346837 /nfs/dbraw/zinc/34/68/37/1026346837.db2.gz QFSNKSIMHZNHSG-UHFFFAOYSA-N 0 1 332.650 4.159 20 10 EICDMN COc1ccc(N2CCCN([C@H](C)c3c(F)cccc3F)CC2)cc1 ZINC000108090628 1026773634 /nfs/dbraw/zinc/77/36/34/1026773634.db2.gz OJMQFHAQASHBSX-OAHLLOKOSA-N 0 1 346.421 4.247 20 10 EICDMN Cc1cc(Cl)nc(CNCc2ccc(N3CCCCC3)cc2)c1 ZINC000281841757 1028887610 /nfs/dbraw/zinc/88/76/10/1028887610.db2.gz AQSGUNQYQSQONI-UHFFFAOYSA-N 0 1 329.875 4.324 20 10 EICDMN C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc2ccccc2c1[O-] ZINC000278428681 1029202024 /nfs/dbraw/zinc/20/20/24/1029202024.db2.gz JFWKZJAYQUODMB-LLVKDONJSA-N 0 1 345.336 4.113 20 10 EICDMN C[C@@H](N[C@H](C)c1ccc(N2CCCCCC2)cc1)c1ccn(C)n1 ZINC000840815242 1029430292 /nfs/dbraw/zinc/43/02/92/1029430292.db2.gz CNBBUTCHSPWFAT-IAGOWNOFSA-N 0 1 326.488 4.212 20 10 EICDMN C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc2ccccc2c1[O-] ZINC000186136458 1030252267 /nfs/dbraw/zinc/25/22/67/1030252267.db2.gz YMKAQBWTRMJXHT-YYFZDKIDSA-N 0 1 343.492 4.251 20 10 EICDMN Cn1cnc(-c2ccc(NCc3cc(Cl)cc(Cl)c3O)cc2)n1 ZINC000190875535 1030577846 /nfs/dbraw/zinc/57/78/46/1030577846.db2.gz BVYUWSAGWXMZEO-UHFFFAOYSA-N 0 1 349.221 4.107 20 10 EICDMN C[C@@H](NCc1c(O)ccc(Cl)c1F)c1noc(-c2ccccc2)n1 ZINC000191330101 1030616728 /nfs/dbraw/zinc/61/67/28/1030616728.db2.gz CTOKPIUYJSHSJI-SNVBAGLBSA-N 0 1 347.777 4.086 20 10 EICDMN C[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000191854540 1030660901 /nfs/dbraw/zinc/66/09/01/1030660901.db2.gz BCQIZWYNEDSNTN-RFUYNDQBSA-N 0 1 331.843 4.474 20 10 EICDMN CC[C@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000527924173 1030919590 /nfs/dbraw/zinc/91/95/90/1030919590.db2.gz HJSRLAAQNMJIJA-WFASDCNBSA-N 0 1 331.378 4.268 20 10 EICDMN CC[C@H]([NH2+]Cc1cccnc1C)c1cc(Br)ccc1[O-] ZINC000527986195 1031043029 /nfs/dbraw/zinc/04/30/29/1031043029.db2.gz JUMLXBUBAJCCSO-HNNXBMFYSA-N 0 1 335.245 4.099 20 10 EICDMN Oc1ccccc1CN1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000179568780 1031219516 /nfs/dbraw/zinc/21/95/16/1031219516.db2.gz HGTWSKVPXOHNKE-KRWDZBQOSA-N 0 1 335.407 4.169 20 10 EICDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](c2ccccn2)C2CCC2)c1[O-] ZINC000528656601 1031720398 /nfs/dbraw/zinc/72/03/98/1031720398.db2.gz IBIWPKSGIDHENY-GOSISDBHSA-N 0 1 344.842 4.274 20 10 EICDMN CC[C@H](NCc1nnc(-c2ccccc2)s1)c1ccc(C)cc1O ZINC000280036834 1035134564 /nfs/dbraw/zinc/13/45/64/1035134564.db2.gz IOKQKAQPEQFWTP-INIZCTEOSA-N 0 1 339.464 4.460 20 10 EICDMN CC[C@H]([NH2+][C@H]1CC[C@@H](SC)C1)c1cc(Br)ccc1[O-] ZINC000229557600 1037240214 /nfs/dbraw/zinc/24/02/14/1037240214.db2.gz JCFHDMDBLLZDCD-SCRDCRAPSA-N 0 1 344.318 4.480 20 10 EICDMN CC[C@H]([NH2+]CC[C@H]1CCCCO1)c1cc(Br)ccc1[O-] ZINC000229574215 1037260194 /nfs/dbraw/zinc/26/01/94/1037260194.db2.gz RBSUVLHTIODBQV-HIFRSBDPSA-N 0 1 342.277 4.155 20 10 EICDMN C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccc([S@](C)=O)cc1 ZINC000273516831 1037490135 /nfs/dbraw/zinc/49/01/35/1037490135.db2.gz SRWUVYRTBXTLMR-IBILFNBTSA-N 0 1 337.872 4.195 20 10 EICDMN C[C@H]([NH2+]CCCC(F)(F)F)c1cc(Br)ccc1[O-] ZINC000273616606 1037530898 /nfs/dbraw/zinc/53/08/98/1037530898.db2.gz XLKRASBZONQHBV-QMMMGPOBSA-N 0 1 326.156 4.148 20 10 EICDMN Cc1ccc(CNCc2ccc(N(C)C)cc2)c(Br)c1 ZINC000157747028 1037932342 /nfs/dbraw/zinc/93/23/42/1037932342.db2.gz HQNLEZOOICAHKP-UHFFFAOYSA-N 0 1 333.273 4.113 20 10 EICDMN CC[C@@H]([NH2+]CCC(F)(F)F)c1cc(Br)ccc1[O-] ZINC000063098662 1038000183 /nfs/dbraw/zinc/00/01/83/1038000183.db2.gz OBIQAOLUMPPQON-SNVBAGLBSA-N 0 1 326.156 4.148 20 10 EICDMN Cc1c2ccccc2n(C)c1CNc1nccn1Cc1ccccc1 ZINC000490063149 1038327969 /nfs/dbraw/zinc/32/79/69/1038327969.db2.gz XCQNFRNAGZGCDW-UHFFFAOYSA-N 0 1 330.435 4.344 20 10 EICDMN CC[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1cc(Br)ccc1[O-] ZINC000159990238 1040298339 /nfs/dbraw/zinc/29/83/39/1040298339.db2.gz SQBVGTBXKBYEAI-OCCSQVGLSA-N 0 1 342.277 4.153 20 10 EICDMN CCOCCCC[NH2+][C@@H](CC)c1cc(Br)ccc1[O-] ZINC000155217088 1040577393 /nfs/dbraw/zinc/57/73/93/1040577393.db2.gz SXIWLZVJVRHIBA-AWEZNQCLSA-N 0 1 330.266 4.012 20 10 EICDMN Cc1nc2c(s1)[C@H]([N@H+](C)Cc1c([O-])ccc3ccncc31)CCC2 ZINC000732189961 1043879975 /nfs/dbraw/zinc/87/99/75/1043879975.db2.gz WJIMFLHJRCKKHP-QGZVFWFLSA-N 0 1 339.464 4.215 20 10 EICDMN Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1c([O-])ccc3ccncc31)CCC2 ZINC000732189961 1043879978 /nfs/dbraw/zinc/87/99/78/1043879978.db2.gz WJIMFLHJRCKKHP-QGZVFWFLSA-N 0 1 339.464 4.215 20 10 EICDMN CCOC[C@@H]1CCC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000733787563 1044311673 /nfs/dbraw/zinc/31/16/73/1044311673.db2.gz LPSUGDWXSIJHDK-OAHLLOKOSA-N 0 1 343.467 4.266 20 10 EICDMN CCOC[C@@H]1CCC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000733787563 1044311686 /nfs/dbraw/zinc/31/16/86/1044311686.db2.gz LPSUGDWXSIJHDK-OAHLLOKOSA-N 0 1 343.467 4.266 20 10 EICDMN COc1cccc([C@@H](C)[NH2+]Cc2cc(Br)ccc2[O-])c1 ZINC000227438537 1044435237 /nfs/dbraw/zinc/43/52/37/1044435237.db2.gz AFUBXHAXTQPFMT-LLVKDONJSA-N 0 1 336.229 4.014 20 10 EICDMN CN(C)CC[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(C)(C)C ZINC000734849504 1044699185 /nfs/dbraw/zinc/69/91/85/1044699185.db2.gz IKVFXNUKROMECY-CQSZACIVSA-N 0 1 333.303 4.155 20 10 EICDMN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000762000279 1044858882 /nfs/dbraw/zinc/85/88/82/1044858882.db2.gz MSWUFFZXTRXWCH-UHFFFAOYSA-N 0 1 349.452 4.104 20 10 EICDMN C[C@H]1CC2(C[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-])CCOCC2 ZINC000843431620 1044967585 /nfs/dbraw/zinc/96/75/85/1044967585.db2.gz IZCWCBPRDYASJW-NSHDSACASA-N 0 1 330.255 4.090 20 10 EICDMN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](n3ccnc3)C1)oc1ccccc12 ZINC000738147639 1045039061 /nfs/dbraw/zinc/03/90/61/1045039061.db2.gz FGVGDADWQZLRRG-MRXNPFEDSA-N 0 1 347.418 4.325 20 10 EICDMN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](n3ccnc3)C1)oc1ccccc12 ZINC000738147639 1045039078 /nfs/dbraw/zinc/03/90/78/1045039078.db2.gz FGVGDADWQZLRRG-MRXNPFEDSA-N 0 1 347.418 4.325 20 10 EICDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000738241116 1045052320 /nfs/dbraw/zinc/05/23/20/1045052320.db2.gz QBLOKCGOXBNUSX-FQEVSTJZSA-N 0 1 336.460 4.231 20 10 EICDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000738241116 1045052328 /nfs/dbraw/zinc/05/23/28/1045052328.db2.gz QBLOKCGOXBNUSX-FQEVSTJZSA-N 0 1 336.460 4.231 20 10 EICDMN Cc1ccc([C@@H](C)C[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000738435910 1045061475 /nfs/dbraw/zinc/06/14/75/1045061475.db2.gz OROTZLFNMXMEEM-ZDUSSCGKSA-N 0 1 334.257 4.356 20 10 EICDMN CN(C)c1ccc(CNCc2ccc(F)c(Cl)c2Cl)cc1 ZINC000762424307 1045230495 /nfs/dbraw/zinc/23/04/95/1045230495.db2.gz MGDXGARRBYYRQY-UHFFFAOYSA-N 0 1 327.230 4.488 20 10 EICDMN CCO[C@H]1C[C@H]([N@H+](C)Cc2c([O-])ccc3ccc(OC)cc32)C1(C)C ZINC000740863691 1045231413 /nfs/dbraw/zinc/23/14/13/1045231413.db2.gz WSNNADLWYMOWKA-PMACEKPBSA-N 0 1 343.467 4.189 20 10 EICDMN CCO[C@H]1C[C@H]([N@@H+](C)Cc2c([O-])ccc3ccc(OC)cc32)C1(C)C ZINC000740863691 1045231421 /nfs/dbraw/zinc/23/14/21/1045231421.db2.gz WSNNADLWYMOWKA-PMACEKPBSA-N 0 1 343.467 4.189 20 10 EICDMN [O-]c1c(Br)cc(F)cc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001235304202 1045372290 /nfs/dbraw/zinc/37/22/90/1045372290.db2.gz UWUZCTGPDDNJRP-QMTHXVAHSA-N 0 1 328.225 4.058 20 10 EICDMN C[C@@H](O)[C@](C)(C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])Cc1ccccc1 ZINC000790726723 1045569668 /nfs/dbraw/zinc/56/96/68/1045569668.db2.gz JFKLEXUTCRXBGW-MDOVXXIYSA-N 0 1 347.886 4.326 20 10 EICDMN c1cc(N2CCCCC2)ccc1CNCc1ccc2c(n1)CCCC2 ZINC000767726578 1045620596 /nfs/dbraw/zinc/62/05/96/1045620596.db2.gz DQTCINJMHDDQOL-UHFFFAOYSA-N 0 1 335.495 4.241 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000768224059 1045756343 /nfs/dbraw/zinc/75/63/43/1045756343.db2.gz PRRHKGXLXWWZNW-UHFFFAOYSA-N 0 1 341.842 4.302 20 10 EICDMN COc1ccc([C@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[O-])cc1OC ZINC000768232004 1045759264 /nfs/dbraw/zinc/75/92/64/1045759264.db2.gz XQCXRDAUZIMORT-MRXNPFEDSA-N 0 1 347.842 4.400 20 10 EICDMN COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2[O-])cc1OC ZINC000768232004 1045759247 /nfs/dbraw/zinc/75/92/47/1045759247.db2.gz XQCXRDAUZIMORT-MRXNPFEDSA-N 0 1 347.842 4.400 20 10 EICDMN C[C@H](c1ccco1)N(C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768263888 1045773859 /nfs/dbraw/zinc/77/38/59/1045773859.db2.gz YGCTYLMOJDYMPC-OAHLLOKOSA-N 0 1 343.427 4.371 20 10 EICDMN O=[N+]([O-])c1ccc(C[N@H+](Cc2cc(Cl)ccc2[O-])C2CC2)cc1 ZINC000768338014 1045792463 /nfs/dbraw/zinc/79/24/63/1045792463.db2.gz YDCYZVUPNAHFPF-UHFFFAOYSA-N 0 1 332.787 4.118 20 10 EICDMN O=[N+]([O-])c1ccc(C[N@@H+](Cc2cc(Cl)ccc2[O-])C2CC2)cc1 ZINC000768338014 1045792436 /nfs/dbraw/zinc/79/24/36/1045792436.db2.gz YDCYZVUPNAHFPF-UHFFFAOYSA-N 0 1 332.787 4.118 20 10 EICDMN C[C@H]1c2ccccc2OCC[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000768931955 1045861076 /nfs/dbraw/zinc/86/10/76/1045861076.db2.gz XIJUOQKHEAIXDA-LBPRGKRZSA-N 0 1 348.240 4.110 20 10 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CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000808761936 1048090431 /nfs/dbraw/zinc/09/04/31/1048090431.db2.gz VACROGMVCFKRBN-LJQANCHMSA-N 0 1 345.414 4.326 20 10 EICDMN O=C(Nc1cccc(N2CCCCC2)c1)c1ccc(Cl)cc1O ZINC000919823609 1048116047 /nfs/dbraw/zinc/11/60/47/1048116047.db2.gz PMDLWWLTYMXSEX-UHFFFAOYSA-N 0 1 330.815 4.288 20 10 EICDMN [O-]c1cccc(Cl)c1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000809700115 1048465597 /nfs/dbraw/zinc/46/55/97/1048465597.db2.gz XVHORLSDDCIBNJ-AYBZRNKSSA-N 0 1 343.854 4.050 20 10 EICDMN [O-]c1cccc(Cl)c1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000809700115 1048465602 /nfs/dbraw/zinc/46/56/02/1048465602.db2.gz XVHORLSDDCIBNJ-AYBZRNKSSA-N 0 1 343.854 4.050 20 10 EICDMN C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809701478 1048467096 /nfs/dbraw/zinc/46/70/96/1048467096.db2.gz XWSHJZXDONPTGC-SMDDNHRTSA-N 0 1 332.271 4.215 20 10 EICDMN Cc1cc(Br)cc(CN2CCC[C@H]2c2ccncc2)c1O ZINC000809729351 1048476181 /nfs/dbraw/zinc/47/61/81/1048476181.db2.gz SQVPLBOOGARRQA-INIZCTEOSA-N 0 1 347.256 4.195 20 10 EICDMN Cc1ccccc1[C@@H](O)C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000809703935 1048488538 /nfs/dbraw/zinc/48/85/38/1048488538.db2.gz WJTICGQNCURNFJ-FQEVSTJZSA-N 0 1 345.870 4.300 20 10 EICDMN CC[C@H](CSC)[N@@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000809767637 1048499347 /nfs/dbraw/zinc/49/93/47/1048499347.db2.gz PVDQBACFUBITNL-GFCCVEGCSA-N 0 1 332.307 4.037 20 10 EICDMN CC[N@@H+](Cc1cccc(Br)c1[O-])[C@H](C)c1cccnc1 ZINC000809764737 1048524864 /nfs/dbraw/zinc/52/48/64/1048524864.db2.gz HLWLVTOQANOJMO-GFCCVEGCSA-N 0 1 335.245 4.133 20 10 EICDMN C[N@@H+](Cc1cccc(F)c1)Cc1cc(Br)c(F)cc1[O-] ZINC001144298533 1048574150 /nfs/dbraw/zinc/57/41/50/1048574150.db2.gz FTIWPOZSNKVZIP-UHFFFAOYSA-N 0 1 342.183 4.065 20 10 EICDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CCC2(CCCC2)C1 ZINC001144299672 1048575259 /nfs/dbraw/zinc/57/52/59/1048575259.db2.gz FWNNBTLKTLDYCB-UHFFFAOYSA-N 0 1 328.225 4.060 20 10 EICDMN CC[C@@H](NCc1ccn(C(C)C)n1)c1ccc(C(F)(F)F)cc1O ZINC000810217707 1048686370 /nfs/dbraw/zinc/68/63/70/1048686370.db2.gz AQTSEKJFFIIHAL-OAHLLOKOSA-N 0 1 341.377 4.429 20 10 EICDMN CC[C@H]([NH2+]CC1(C)CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227425 1048696264 /nfs/dbraw/zinc/69/62/64/1048696264.db2.gz WJHQEYGXGMNOQK-AWEZNQCLSA-N 0 1 331.378 4.268 20 10 EICDMN CC[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228046 1048696484 /nfs/dbraw/zinc/69/64/84/1048696484.db2.gz QHKLNYCPIJUIRP-GXTWGEPZSA-N 0 1 331.378 4.409 20 10 EICDMN CC[C@H]([NH2+]CC[C@@H]1CCCCO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810234669 1048701155 /nfs/dbraw/zinc/70/11/55/1048701155.db2.gz GGXSCKDEJXYACL-ZFWWWQNUSA-N 0 1 331.378 4.411 20 10 EICDMN CC[C@@H]([NH2+]CC[C@H]1CCCCO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810234668 1048702066 /nfs/dbraw/zinc/70/20/66/1048702066.db2.gz GGXSCKDEJXYACL-UKRRQHHQSA-N 0 1 331.378 4.411 20 10 EICDMN CC[C@H](N[C@@H](C)c1nnc(C)s1)c1ccc(C(F)(F)F)cc1O ZINC000810236750 1048718214 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ZINC000816503449 1048821171 /nfs/dbraw/zinc/82/11/71/1048821171.db2.gz XWIJPOKHTGCIDT-OAQYLSRUSA-N 0 1 349.430 4.128 20 10 EICDMN COc1ccccc1[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816514822 1048822402 /nfs/dbraw/zinc/82/24/02/1048822402.db2.gz IFQZPNOCUXHVFL-LBPRGKRZSA-N 0 1 335.806 4.183 20 10 EICDMN Cc1ccccc1[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000816513259 1048823340 /nfs/dbraw/zinc/82/33/40/1048823340.db2.gz LCJGQBPWMAPYTF-SFHVURJKSA-N 0 1 335.806 4.067 20 10 EICDMN [O-]c1c(C[NH2+]Cc2cnn(Cc3ccccc3)c2)ccc2ccccc21 ZINC000816535681 1048825209 /nfs/dbraw/zinc/82/52/09/1048825209.db2.gz WSCDJLVGHZSPBO-UHFFFAOYSA-N 0 1 343.430 4.080 20 10 EICDMN COc1ccc(Cl)cc1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816541067 1048826889 /nfs/dbraw/zinc/82/68/89/1048826889.db2.gz BLUOXIRXMFOQDO-UHFFFAOYSA-N 0 1 327.811 4.497 20 10 EICDMN [O-]c1c(C[NH2+]Cc2cccc(OCC(F)F)c2)ccc2ccccc21 ZINC000816548464 1048828920 /nfs/dbraw/zinc/82/89/20/1048828920.db2.gz ISQGSBDALRUMTQ-UHFFFAOYSA-N 0 1 343.373 4.479 20 10 EICDMN [O-]c1c(C[NH2+]CC2([C@H](O)c3ccccc3)CC2)ccc2ccccc21 ZINC000816558299 1048834509 /nfs/dbraw/zinc/83/45/09/1048834509.db2.gz SVHJTEXGVHZMCQ-OAQYLSRUSA-N 0 1 333.431 4.149 20 10 EICDMN CC(C)(CO)[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])c1ccccc1 ZINC000816558219 1048834561 /nfs/dbraw/zinc/83/45/61/1048834561.db2.gz RDHHAELFIABCFL-NRFANRHFSA-N 0 1 349.474 4.437 20 10 EICDMN [O-]c1c(C[NH2+][C@H]2CCOC3(CCSCC3)C2)ccc2ccccc21 ZINC000816558642 1048835700 /nfs/dbraw/zinc/83/57/00/1048835700.db2.gz IAPSPUINITVFRE-KRWDZBQOSA-N 0 1 343.492 4.080 20 10 EICDMN C[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000846187074 1048836850 /nfs/dbraw/zinc/83/68/50/1048836850.db2.gz HXYDTTKVLJCLIV-VBKZILBWSA-N 0 1 325.452 4.401 20 10 EICDMN C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816565972 1048836901 /nfs/dbraw/zinc/83/69/01/1048836901.db2.gz HVMKAUVKHWIJJD-PSASIEDQSA-N 0 1 325.733 4.348 20 10 EICDMN Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2ccccc2c1[O-] ZINC000816600982 1048842400 /nfs/dbraw/zinc/84/24/00/1048842400.db2.gz NDXBQUMGVRLHDF-YQQQUEKLSA-N 0 1 347.462 4.190 20 10 EICDMN Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2ccccc2c1[O-] ZINC000816600982 1048842404 /nfs/dbraw/zinc/84/24/04/1048842404.db2.gz NDXBQUMGVRLHDF-YQQQUEKLSA-N 0 1 347.462 4.190 20 10 EICDMN CC(C)[N@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)[C@@H]1CCOC1 ZINC000812290692 1049415452 /nfs/dbraw/zinc/41/54/52/1049415452.db2.gz FWQXLYXJISHHKE-CQSZACIVSA-N 0 1 329.440 4.017 20 10 EICDMN CC(C)[N@@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)[C@@H]1CCOC1 ZINC000812290692 1049415469 /nfs/dbraw/zinc/41/54/69/1049415469.db2.gz FWQXLYXJISHHKE-CQSZACIVSA-N 0 1 329.440 4.017 20 10 EICDMN CC(C)[N@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)[C@H]1CCOC1 ZINC000812290691 1049415859 /nfs/dbraw/zinc/41/58/59/1049415859.db2.gz FWQXLYXJISHHKE-AWEZNQCLSA-N 0 1 329.440 4.017 20 10 EICDMN CC(C)[N@@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)[C@H]1CCOC1 ZINC000812290691 1049415869 /nfs/dbraw/zinc/41/58/69/1049415869.db2.gz FWQXLYXJISHHKE-AWEZNQCLSA-N 0 1 329.440 4.017 20 10 EICDMN CC[C@@H](NCc1nc2cc(F)ccc2n1C)c1ccc(N(C)C)cc1 ZINC000772999312 1049503385 /nfs/dbraw/zinc/50/33/85/1049503385.db2.gz ITQYASNDUQOGDS-QGZVFWFLSA-N 0 1 340.446 4.019 20 10 EICDMN CCCn1c(CN[C@H](C)c2cc(OC)ccc2O)nc2ccccc21 ZINC000813331810 1049753269 /nfs/dbraw/zinc/75/32/69/1049753269.db2.gz VNHRXYXBHVJJJB-CQSZACIVSA-N 0 1 339.439 4.011 20 10 EICDMN Cc1cccc2c1CC[C@H]([NH2+]Cc1ccc(Br)cc1[O-])C2 ZINC001171560655 1049756674 /nfs/dbraw/zinc/75/66/74/1049756674.db2.gz VIULXMILYAOFPX-INIZCTEOSA-N 0 1 346.268 4.110 20 10 EICDMN CCC[C@H](NCc1ccc(OC)c(COCC)c1)c1ccccn1 ZINC001177688267 1050279810 /nfs/dbraw/zinc/27/98/10/1050279810.db2.gz QAYMCZQNWDVQFU-SFHVURJKSA-N 0 1 328.456 4.258 20 10 EICDMN CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC001177729128 1050281549 /nfs/dbraw/zinc/28/15/49/1050281549.db2.gz HWWKABFUOXEZCB-OLZOCXBDSA-N 0 1 326.278 4.459 20 10 EICDMN Cc1cc(NS(=O)(=O)c2csc3ccccc32)c(C)cc1O ZINC001186493689 1050338206 /nfs/dbraw/zinc/33/82/06/1050338206.db2.gz IKQIPJWYISZHMA-UHFFFAOYSA-N 0 1 333.434 4.025 20 10 EICDMN Cc1cc([O-])c(C[NH2+]C[C@]2(c3ccccc3)CCCO2)c(Cl)c1 ZINC001179652750 1050737882 /nfs/dbraw/zinc/73/78/82/1050737882.db2.gz ZDUPHLJAUXODRO-IBGZPJMESA-N 0 1 331.843 4.150 20 10 EICDMN COc1cc(C)c(C[N@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)c(O)c1 ZINC001179874465 1050812604 /nfs/dbraw/zinc/81/26/04/1050812604.db2.gz ZVPIADRJLUFQNY-LPHOPBHVSA-N 0 1 325.452 4.335 20 10 EICDMN CN(c1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001179974696 1050838826 /nfs/dbraw/zinc/83/88/26/1050838826.db2.gz PXSKISRNUKRGBT-UHFFFAOYSA-N 0 1 330.859 4.146 20 10 EICDMN CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc(Cl)c(C)cc1[O-] ZINC001180051541 1050865614 /nfs/dbraw/zinc/86/56/14/1050865614.db2.gz HTZGYCQXSXFYLV-KRWDZBQOSA-N 0 1 333.859 4.127 20 10 EICDMN CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(Cl)c(C)cc1[O-] ZINC001180051541 1050865623 /nfs/dbraw/zinc/86/56/23/1050865623.db2.gz HTZGYCQXSXFYLV-KRWDZBQOSA-N 0 1 333.859 4.127 20 10 EICDMN C[C@@H](Cc1cccs1)[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC001180064895 1050872186 /nfs/dbraw/zinc/87/21/86/1050872186.db2.gz ZFUNCIPRVYINDZ-NSHDSACASA-N 0 1 340.286 4.279 20 10 EICDMN C[C@@H](Cc1cccs1)[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC001180064895 1050872189 /nfs/dbraw/zinc/87/21/89/1050872189.db2.gz ZFUNCIPRVYINDZ-NSHDSACASA-N 0 1 340.286 4.279 20 10 EICDMN CC[N@@H+](Cc1cccc(F)c1[O-])[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001180174964 1050894179 /nfs/dbraw/zinc/89/41/79/1050894179.db2.gz QBDSOCXJIHZVHR-APWZRJJASA-N 0 1 342.458 4.189 20 10 EICDMN COc1ccccc1[C@@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001180189183 1050908491 /nfs/dbraw/zinc/90/84/91/1050908491.db2.gz OCXZNZZDMNBAPX-KRWDZBQOSA-N 0 1 333.378 4.406 20 10 EICDMN COc1cc(C)cc(CN2CCn3cccc3[C@@H]2c2ccccc2)c1O ZINC001180244531 1050934122 /nfs/dbraw/zinc/93/41/22/1050934122.db2.gz FMQGZCVWPDWLHY-NRFANRHFSA-N 0 1 348.446 4.116 20 10 EICDMN CC[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC001180378825 1050973553 /nfs/dbraw/zinc/97/35/53/1050973553.db2.gz JHFPNELHRXBUSW-ZDUSSCGKSA-N 0 1 335.394 4.132 20 10 EICDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC001180379349 1050977073 /nfs/dbraw/zinc/97/70/73/1050977073.db2.gz ZCGHBUFWAOYVNS-MRXNPFEDSA-N 0 1 337.847 4.475 20 10 EICDMN CCC[C@@H](CN(Cc1ccco1)Cc1ccc(N(C)C)cc1)OC ZINC001181566594 1051261563 /nfs/dbraw/zinc/26/15/63/1051261563.db2.gz YDBBGHKFBVDYIN-IBGZPJMESA-N 0 1 330.472 4.163 20 10 EICDMN Cc1cc([O-])c(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c(Cl)c1 ZINC001181729154 1051288745 /nfs/dbraw/zinc/28/87/45/1051288745.db2.gz KPNKRJDFPKMJQP-UONOGXRCSA-N 0 1 334.674 4.370 20 10 EICDMN Cc1cc([O-])c(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c(Cl)c1 ZINC001181729154 1051288753 /nfs/dbraw/zinc/28/87/53/1051288753.db2.gz KPNKRJDFPKMJQP-UONOGXRCSA-N 0 1 334.674 4.370 20 10 EICDMN Cc1cc([O-])c(C[N@@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)cc1Cl ZINC001182125452 1051395394 /nfs/dbraw/zinc/39/53/94/1051395394.db2.gz ABJDUDZZOZLSFG-HOTGVXAUSA-N 0 1 347.886 4.341 20 10 EICDMN Cc1cc([O-])c(C[N@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)cc1Cl ZINC001182125452 1051395404 /nfs/dbraw/zinc/39/54/04/1051395404.db2.gz ABJDUDZZOZLSFG-HOTGVXAUSA-N 0 1 347.886 4.341 20 10 EICDMN CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1)c1cc(Cl)ccc1[O-] ZINC000775483558 1051553914 /nfs/dbraw/zinc/55/39/14/1051553914.db2.gz YBVMWBZTDPBMLK-HNNXBMFYSA-N 0 1 335.831 4.304 20 10 EICDMN CC[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1cc(Cl)ccc1[O-] ZINC000775487023 1051560443 /nfs/dbraw/zinc/56/04/43/1051560443.db2.gz GCKRSAIIKKXFIS-GOSISDBHSA-N 0 1 341.842 4.472 20 10 EICDMN CC[C@H]([NH2+]CCc1cccc(OC)c1OC)c1cc(Cl)ccc1[O-] ZINC000775491284 1051573031 /nfs/dbraw/zinc/57/30/31/1051573031.db2.gz HMUILYLALHVJDK-INIZCTEOSA-N 0 1 349.858 4.346 20 10 EICDMN CC[C@H]([NH2+]Cc1cccc(OCCOC)c1)c1cc(Cl)ccc1[O-] ZINC000775492864 1051591920 /nfs/dbraw/zinc/59/19/20/1051591920.db2.gz PGWXEYFGUHCSEO-SFHVURJKSA-N 0 1 349.858 4.312 20 10 EICDMN CC[C@H]([NH2+]Cc1cn2cc(C)ccc2n1)c1cc(Cl)ccc1[O-] ZINC000775497680 1051618018 /nfs/dbraw/zinc/61/80/18/1051618018.db2.gz BUOLYGDVHIGCPS-INIZCTEOSA-N 0 1 329.831 4.243 20 10 EICDMN CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1[O-] ZINC000775508385 1051641919 /nfs/dbraw/zinc/64/19/19/1051641919.db2.gz IJBCMBSGZQVERJ-OAHLLOKOSA-N 0 1 334.803 4.237 20 10 EICDMN CC[C@@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000775504510 1051645251 /nfs/dbraw/zinc/64/52/51/1051645251.db2.gz ZOALYJPZDSBIJH-MEDUHNTESA-N 0 1 347.846 4.338 20 10 EICDMN CC[C@H]([NH2+][C@@H](C)Cc1ccncc1)c1cc(Br)ccc1[O-] ZINC000775512959 1051660427 /nfs/dbraw/zinc/66/04/27/1051660427.db2.gz ULTQWPBXNVNZBU-LRDDRELGSA-N 0 1 349.272 4.222 20 10 EICDMN CC[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1cc(Cl)ccc1[O-] ZINC000775514516 1051669845 /nfs/dbraw/zinc/66/98/45/1051669845.db2.gz ZAAUVGRNRKWOPG-ZDUSSCGKSA-N 0 1 347.768 4.045 20 10 EICDMN COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC001182683933 1051672712 /nfs/dbraw/zinc/67/27/12/1051672712.db2.gz IORQYNIRLIMMGR-BBRMVZONSA-N 0 1 339.863 4.037 20 10 EICDMN CC[C@@H]1COC(C)(C)CN1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001182754782 1051682536 /nfs/dbraw/zinc/68/25/36/1051682536.db2.gz ORMXVVSSBQNHAS-OAHLLOKOSA-N 0 1 335.488 4.088 20 10 EICDMN CC[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1cc(Cl)ccc1[O-] ZINC000775521906 1051689216 /nfs/dbraw/zinc/68/92/16/1051689216.db2.gz DKWBUFGOSXBBMI-UKPHBRMFSA-N 0 1 341.904 4.141 20 10 EICDMN CC[C@H]([NH2+]CCC[C@H]1CCCC[C@H]1O)c1cc(Cl)ccc1[O-] ZINC000775522504 1051694609 /nfs/dbraw/zinc/69/46/09/1051694609.db2.gz RIURVKIXFAWGAE-XOKHGSTOSA-N 0 1 325.880 4.418 20 10 EICDMN CC[C@H]([NH2+][C@H](C)[C@H](O)Cc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775524587 1051710064 /nfs/dbraw/zinc/71/00/64/1051710064.db2.gz RPLCLMPRUBQKPB-XVGQJIODSA-N 0 1 333.859 4.078 20 10 EICDMN CC[C@@H]([NH2+][C@@H](CO)c1sccc1C)c1cc(Cl)ccc1[O-] ZINC000775526843 1051714147 /nfs/dbraw/zinc/71/41/47/1051714147.db2.gz MBRPBSHZOAVYES-KGLIPLIRSA-N 0 1 325.861 4.190 20 10 EICDMN [O-]c1ccc(Br)cc1C[NH2+]CCc1ccc(Cl)cc1 ZINC000076275420 1051863958 /nfs/dbraw/zinc/86/39/58/1051863958.db2.gz PFHBIHAAFRUAPP-UHFFFAOYSA-N 0 1 340.648 4.140 20 10 EICDMN CN(C)c1cc(NCc2ccc(F)c(F)c2O)cc(C(F)(F)F)c1 ZINC001183950560 1051930415 /nfs/dbraw/zinc/93/04/15/1051930415.db2.gz SNENHIGAEYKRPF-UHFFFAOYSA-N 0 1 346.299 4.367 20 10 EICDMN COc1c([O-])c(C[N@@H+]([C@@H](C)c2ccccc2)C2CC2)ccc1[N+](=O)[O-] ZINC000774835392 1052177339 /nfs/dbraw/zinc/17/73/39/1052177339.db2.gz KVTLARWLPQXANS-ZDUSSCGKSA-N 0 1 342.395 4.035 20 10 EICDMN Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000185559401 1052639317 /nfs/dbraw/zinc/63/93/17/1052639317.db2.gz XCCQYKFAQDHAOD-ZIAGYGMSSA-N 0 1 337.467 4.178 20 10 EICDMN [O-]c1ccc2ccncc2c1C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000764123570 1053032953 /nfs/dbraw/zinc/03/29/53/1053032953.db2.gz FVOLCQMSUMRSEC-UHFFFAOYSA-N 0 1 340.373 4.388 20 10 EICDMN Cc1c2ccccc2n(C)c1CNCc1ccc(Br)o1 ZINC000381010879 1053051091 /nfs/dbraw/zinc/05/10/91/1053051091.db2.gz KBUUPUUYRPQNOP-UHFFFAOYSA-N 0 1 333.229 4.132 20 10 EICDMN COc1cc(CNCc2nc(C)c(C)s2)c(O)c(C(C)(C)C)c1 ZINC000850167568 1053080274 /nfs/dbraw/zinc/08/02/74/1053080274.db2.gz FFCZGXBEOOSMNP-UHFFFAOYSA-N 0 1 334.485 4.061 20 10 EICDMN Oc1c(CNc2cccc(Oc3ccccn3)c2)ccc(F)c1F ZINC000864008042 1053127745 /nfs/dbraw/zinc/12/77/45/1053127745.db2.gz HBQDZOOPSYFTRM-UHFFFAOYSA-N 0 1 328.318 4.470 20 10 EICDMN C[C@@H](N[C@@H](C)c1cc(Br)ccc1O)c1cscn1 ZINC000850511474 1053268299 /nfs/dbraw/zinc/26/82/99/1053268299.db2.gz FYAJPHKZGIFUPH-DTWKUNHWSA-N 0 1 327.247 4.023 20 10 EICDMN C[C@@H](N[C@@H](C)c1cscn1)c1cc(Br)ccc1O ZINC000850511473 1053267253 /nfs/dbraw/zinc/26/72/53/1053267253.db2.gz FYAJPHKZGIFUPH-BDAKNGLRSA-N 0 1 327.247 4.023 20 10 EICDMN C[C@@H](N[C@@H](C)c1cscn1)c1ccc(Br)cc1O ZINC000850511785 1053271072 /nfs/dbraw/zinc/27/10/72/1053271072.db2.gz NDONDHJYNSHCQB-BDAKNGLRSA-N 0 1 327.247 4.023 20 10 EICDMN CC[C@@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1cc(Cl)ccc1[O-] ZINC000850549128 1053307722 /nfs/dbraw/zinc/30/77/22/1053307722.db2.gz FHCKQCJQZIMLEW-MRXNPFEDSA-N 0 1 333.863 4.288 20 10 EICDMN C[C@@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1ccc2ccccc2c1[O-] ZINC000850573790 1053329887 /nfs/dbraw/zinc/32/98/87/1053329887.db2.gz RBTFXYLLAJCGHR-OAHLLOKOSA-N 0 1 340.467 4.022 20 10 EICDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000775644819 1053333036 /nfs/dbraw/zinc/33/30/36/1053333036.db2.gz QOUIOIHDCBXHKO-UHFFFAOYSA-N 0 1 333.790 4.180 20 10 EICDMN CN(Cc1ccccc1O)Cc1c(Cl)cccc1N1CCCC1 ZINC000775656627 1053398185 /nfs/dbraw/zinc/39/81/85/1053398185.db2.gz XTQADWCXGVJGAF-UHFFFAOYSA-N 0 1 330.859 4.278 20 10 EICDMN Oc1c(Cl)cc(Cl)cc1CNc1nnc([C@@H]2CCCO2)s1 ZINC000865296019 1053471045 /nfs/dbraw/zinc/47/10/45/1053471045.db2.gz QERLCNOESPJLQR-JTQLQIEISA-N 0 1 346.239 4.014 20 10 EICDMN Cc1nc2sccn2c1CN(C)Cc1cc(Cl)cc(C)c1O ZINC000775679233 1053555634 /nfs/dbraw/zinc/55/56/34/1053555634.db2.gz RRBDPHVIEFBNCA-UHFFFAOYSA-N 0 1 335.860 4.004 20 10 EICDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000775721284 1053684113 /nfs/dbraw/zinc/68/41/13/1053684113.db2.gz VOMDRFIAFGEEKE-HNNXBMFYSA-N 0 1 349.833 4.223 20 10 EICDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000775738067 1053733435 /nfs/dbraw/zinc/73/34/35/1053733435.db2.gz YUEXOEPZPQSCIB-UHFFFAOYSA-N 0 1 325.733 4.349 20 10 EICDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000775737552 1053736886 /nfs/dbraw/zinc/73/68/86/1053736886.db2.gz PNDAVYCHIIPLHF-QGZVFWFLSA-N 0 1 349.833 4.018 20 10 EICDMN CCN(C)c1ccc([C@@H](C)NCc2noc3ccc(F)cc23)cc1 ZINC000866511320 1053762396 /nfs/dbraw/zinc/76/23/96/1053762396.db2.gz OPLLCDUKNMVUAG-CYBMUJFWSA-N 0 1 327.403 4.274 20 10 EICDMN CCOc1ccc2c(c1)[C@@H](NCc1ccc(OC)c(C)c1)CCO2 ZINC000765621240 1053821712 /nfs/dbraw/zinc/82/17/12/1053821712.db2.gz AVYBZFVQKUYJAZ-SFHVURJKSA-N 0 1 327.424 4.016 20 10 EICDMN [O-]c1cccc2c(N3CC=C(c4ccc(Cl)nc4)CC3)cc[nH+]c12 ZINC000795124371 1054113759 /nfs/dbraw/zinc/11/37/59/1054113759.db2.gz NVCPXSXEXAGXQC-UHFFFAOYSA-N 0 1 337.810 4.283 20 10 EICDMN Cc1ccc2nc(CN[C@@H](C)c3ccc(N4CCCCC4)cc3)cn2c1 ZINC000765759788 1054235931 /nfs/dbraw/zinc/23/59/31/1054235931.db2.gz UGSIURFKTRXEGM-SFHVURJKSA-N 0 1 348.494 4.484 20 10 EICDMN Cc1ccc(F)c(CC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000857507662 1054286453 /nfs/dbraw/zinc/28/64/53/1054286453.db2.gz HEDXZOWGJFBOFB-UHFFFAOYSA-N 0 1 342.197 4.005 20 10 EICDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000858119152 1054421443 /nfs/dbraw/zinc/42/14/43/1054421443.db2.gz MHBPPSGQSIRRDP-OAHLLOKOSA-N 0 1 348.240 4.158 20 10 EICDMN C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000776014467 1054438980 /nfs/dbraw/zinc/43/89/80/1054438980.db2.gz RWTWACPWQSLWBF-KCJUWKMLSA-N 0 1 325.733 4.348 20 10 EICDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000776014808 1054439218 /nfs/dbraw/zinc/43/92/18/1054439218.db2.gz QPBBAZPCJGXCOT-LJQANCHMSA-N 0 1 329.827 4.067 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccccc1CC(F)(F)F ZINC000858329983 1054466855 /nfs/dbraw/zinc/46/68/55/1054466855.db2.gz HWMBXTHFBIGOQU-UHFFFAOYSA-N 0 1 329.749 4.440 20 10 EICDMN CC[C@H](Nc1cnn(CCF)c1)c1cc(Cl)cc(Cl)c1O ZINC000858491838 1054498958 /nfs/dbraw/zinc/49/89/58/1054498958.db2.gz OXEUFPXAACZBNC-ZDUSSCGKSA-N 0 1 332.206 4.428 20 10 EICDMN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(C(F)(F)F)nc1 ZINC000873184703 1054503302 /nfs/dbraw/zinc/50/33/02/1054503302.db2.gz GOFZLGXTAYGKJP-LLVKDONJSA-N 0 1 341.352 4.156 20 10 EICDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000825773719 1054772349 /nfs/dbraw/zinc/77/23/49/1054772349.db2.gz NZWGNQROJZOFIB-SNVBAGLBSA-N 0 1 334.204 4.070 20 10 EICDMN C[C@@H](NCc1c(O)cccc1Br)c1cccc(F)c1F ZINC001201541363 1054835740 /nfs/dbraw/zinc/83/57/40/1054835740.db2.gz DUNYJTAULHSOFD-SECBINFHSA-N 0 1 342.183 4.284 20 10 EICDMN CC(C)n1cc2c(n1)[C@@H](NCc1ccc(N3CCCC3)cc1)CCC2 ZINC001201617932 1054865152 /nfs/dbraw/zinc/86/51/52/1054865152.db2.gz JXULSEGISYOBEK-FQEVSTJZSA-N 0 1 338.499 4.231 20 10 EICDMN COc1cc(C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])ccc1O ZINC000125976498 1054925201 /nfs/dbraw/zinc/92/52/01/1054925201.db2.gz SKMIOBDHTIBBBI-UHFFFAOYSA-N 0 1 342.222 4.045 20 10 EICDMN CCCC(=O)Nc1cccc(NCc2ccc(F)c(F)c2O)c1C ZINC000876823467 1054965928 /nfs/dbraw/zinc/96/59/28/1054965928.db2.gz LJLXEZMXKWKBEB-UHFFFAOYSA-N 0 1 334.366 4.330 20 10 EICDMN CCN(CC)c1ccc(CNCc2nc3ccccc3nc2C)cc1 ZINC000876943251 1054986280 /nfs/dbraw/zinc/98/62/80/1054986280.db2.gz CMWWEVIJTMEVRU-UHFFFAOYSA-N 0 1 334.467 4.074 20 10 EICDMN Cc1cc([O-])c(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)cc1Cl ZINC000825939643 1055031308 /nfs/dbraw/zinc/03/13/08/1055031308.db2.gz FAXOCIBWDQCWQM-MRXNPFEDSA-N 0 1 340.250 4.221 20 10 EICDMN CC(=O)N(c1ccc(NCc2ccc(F)c(F)c2O)cc1)[C@H]1C[C@@H]1C ZINC000877553962 1055079031 /nfs/dbraw/zinc/07/90/31/1055079031.db2.gz DOQKSFKXRKOXCB-GTNSWQLSSA-N 0 1 346.377 4.044 20 10 EICDMN Fc1cc2c(c(F)c1F)[C@@H](NCc1ccc3c(c1)CCCO3)CC2 ZINC001202417931 1055163928 /nfs/dbraw/zinc/16/39/28/1055163928.db2.gz PLKWLPCRZNIHDQ-HNNXBMFYSA-N 0 1 333.353 4.206 20 10 EICDMN C[C@H]([NH2+]C[C@](C)(O)c1ccccc1Cl)c1cc(Cl)ccc1[O-] ZINC000765808753 1055448819 /nfs/dbraw/zinc/44/88/19/1055448819.db2.gz JUFPPLCKLOVTST-GTNSWQLSSA-N 0 1 340.250 4.257 20 10 EICDMN Cc1cc(CNCc2cn3ccccc3n2)c(C)n1-c1cccc(C)c1 ZINC000743705985 1059090079 /nfs/dbraw/zinc/09/00/79/1059090079.db2.gz WJSFATKUCPSPLQ-UHFFFAOYSA-N 0 1 344.462 4.340 20 10 EICDMN CCCC[N@H+](Cc1ccccc1O)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC001169755097 1060944279 /nfs/dbraw/zinc/94/42/79/1060944279.db2.gz SGOGZCAGBBTZCS-UHFFFAOYSA-N 0 1 345.414 4.242 20 10 EICDMN CCCC[N@@H+](Cc1ccccc1O)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC001169755097 1060944308 /nfs/dbraw/zinc/94/43/08/1060944308.db2.gz SGOGZCAGBBTZCS-UHFFFAOYSA-N 0 1 345.414 4.242 20 10 EICDMN CC[C@@H]([NH2+]Cc1nc(C)cs1)c1cc(Br)ccc1[O-] ZINC000038090667 213200602 /nfs/dbraw/zinc/20/06/02/213200602.db2.gz ZLJCIUMCCQYYKN-GFCCVEGCSA-N 0 1 341.274 4.161 20 10 EICDMN CCN(CC)c1ccc(CNCc2ncoc2-c2ccccc2)cc1 ZINC000360036204 1032234380 /nfs/dbraw/zinc/23/43/80/1032234380.db2.gz MVJSOBFSKQNXMI-UHFFFAOYSA-N 0 1 335.451 4.478 20 10 EICDMN C[C@H]([N@H+](C)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])C(C)(C)C ZINC000728195331 1019328113 /nfs/dbraw/zinc/32/81/13/1019328113.db2.gz KBHBIQGYECNRIV-AWEZNQCLSA-N 0 1 341.451 4.195 20 10 EICDMN C[C@H]([N@@H+](C)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])C(C)(C)C ZINC000728195331 1019328131 /nfs/dbraw/zinc/32/81/31/1019328131.db2.gz KBHBIQGYECNRIV-AWEZNQCLSA-N 0 1 341.451 4.195 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1cc(Br)ccc1F ZINC000083551721 1021486779 /nfs/dbraw/zinc/48/67/79/1021486779.db2.gz AAEPUIKTQVSZTQ-UHFFFAOYSA-N 0 1 344.611 4.237 20 10 EICDMN Oc1cccc(Cl)c1CNCc1cc(Br)ccc1F ZINC000083551721 1021486795 /nfs/dbraw/zinc/48/67/95/1021486795.db2.gz AAEPUIKTQVSZTQ-UHFFFAOYSA-N 0 1 344.611 4.237 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](c3ccccc3)C[C@H]2C)c1O ZINC001167398593 1022015367 /nfs/dbraw/zinc/01/53/67/1022015367.db2.gz TWHCAQQRGDIDIR-CJNGLKHVSA-N 0 1 327.399 4.112 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](c3ccccc3)C[C@H]2C)c1[O-] ZINC001167398593 1022015393 /nfs/dbraw/zinc/01/53/93/1022015393.db2.gz TWHCAQQRGDIDIR-CJNGLKHVSA-N 0 1 327.399 4.112 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](c3ccccc3)C[C@H]2C)c1[O-] ZINC001167398593 1022015409 /nfs/dbraw/zinc/01/54/09/1022015409.db2.gz TWHCAQQRGDIDIR-CJNGLKHVSA-N 0 1 327.399 4.112 20 10 EICDMN C[C@@H](NC(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1nnc[nH]1 ZINC000588383342 1022275228 /nfs/dbraw/zinc/27/52/28/1022275228.db2.gz ZMYYKFJEGXSMFE-GFCCVEGCSA-N 0 1 335.371 4.103 20 10 EICDMN CN1CCN(c2ccc(CNc3cc(F)c4ccccc4c3)cc2)CC1 ZINC001167436928 1022620428 /nfs/dbraw/zinc/62/04/28/1022620428.db2.gz HMXGDBIDYAKCJJ-UHFFFAOYSA-N 0 1 349.453 4.343 20 10 EICDMN Cc1noc(C2CCC([NH2+][C@@H](C)c3cc(Cl)ccc3[O-])CC2)n1 ZINC000363848515 1022850802 /nfs/dbraw/zinc/85/08/02/1022850802.db2.gz FUFHJDCXUQKRAM-JKDOVBDQSA-N 0 1 335.835 4.114 20 10 EICDMN Cc1cn2c(n1)[C@@H](C[NH2+][C@H](C)c1ccc3ccccc3c1[O-])CCC2 ZINC000363867434 1022872263 /nfs/dbraw/zinc/87/22/63/1022872263.db2.gz QJFJFFHTNVFXQF-NVXWUHKLSA-N 0 1 335.451 4.279 20 10 EICDMN CC(C)(C[NH2+]Cc1c([O-])cccc1Br)c1ccccc1 ZINC000706884645 1023010319 /nfs/dbraw/zinc/01/03/19/1023010319.db2.gz ALGGCYZKNBLZED-UHFFFAOYSA-N 0 1 334.257 4.222 20 10 EICDMN Cc1cc(Br)c([O-])c(C[N@H+](Cc2ccco2)C(C)C)c1 ZINC000781896727 1023442420 /nfs/dbraw/zinc/44/24/20/1023442420.db2.gz MRUNTLOOCIBBID-UHFFFAOYSA-N 0 1 338.245 4.467 20 10 EICDMN COc1ccc(O)c([C@H](C)N[C@H](C)c2nc(C(F)(F)F)cs2)c1 ZINC000279450531 1026435300 /nfs/dbraw/zinc/43/53/00/1026435300.db2.gz IGKGIPYWMPKYGB-DTWKUNHWSA-N 0 1 346.374 4.288 20 10 EICDMN COc1ccc(N2CCCN([C@@H](C)c3c(F)cccc3F)CC2)cc1 ZINC000108090624 1026772511 /nfs/dbraw/zinc/77/25/11/1026772511.db2.gz OJMQFHAQASHBSX-HNNXBMFYSA-N 0 1 346.421 4.247 20 10 EICDMN C[C@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ccc2ccccc2c1[O-] ZINC000185878755 1030238986 /nfs/dbraw/zinc/23/89/86/1030238986.db2.gz VMCKVCSDWBQXBU-IFXJQAMLSA-N 0 1 346.430 4.322 20 10 EICDMN CC[C@H]([NH2+]Cc1ccc2cn(C)nc2c1)c1cc(Cl)ccc1[O-] ZINC000527961959 1031003638 /nfs/dbraw/zinc/00/36/38/1031003638.db2.gz KBTPZYYQASZDPH-INIZCTEOSA-N 0 1 329.831 4.173 20 10 EICDMN C[C@@H](N[C@@H](C)c1ccc(Br)cn1)c1ccc(N(C)C)cc1 ZINC000280274415 1035226784 /nfs/dbraw/zinc/22/67/84/1035226784.db2.gz YCBMKSLOZPYNBX-OLZOCXBDSA-N 0 1 348.288 4.322 20 10 EICDMN [O-]c1ccc(Cl)cc1C[NH2+]CCc1ccc(Br)s1 ZINC000227439996 1035799235 /nfs/dbraw/zinc/79/92/35/1035799235.db2.gz PCGCPFUAMVPYCI-UHFFFAOYSA-N 0 1 346.677 4.202 20 10 EICDMN C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1cccnc1Cl ZINC000163597616 1037415757 /nfs/dbraw/zinc/41/57/57/1037415757.db2.gz WDWHWANQCXNPDO-CQSZACIVSA-N 0 1 347.915 4.139 20 10 EICDMN C[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])c1ccc(F)cc1F ZINC000226036139 1037889108 /nfs/dbraw/zinc/88/91/08/1037889108.db2.gz IHMSOUPFRBXDDM-SECBINFHSA-N 0 1 342.183 4.284 20 10 EICDMN CC[C@@H]([NH2+]Cc1ccsc1)c1cc(Br)ccc1[O-] ZINC000063152087 1038033426 /nfs/dbraw/zinc/03/34/26/1038033426.db2.gz WVHUYTPZZONJPH-CYBMUJFWSA-N 0 1 326.259 4.457 20 10 EICDMN C[C@@H](c1cccs1)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000157833932 1038168591 /nfs/dbraw/zinc/16/85/91/1038168591.db2.gz VTJCJMVERXMYBI-JTQLQIEISA-N 0 1 326.259 4.409 20 10 EICDMN C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1nc(C(C)(C)C)no1 ZINC000174663467 1040683601 /nfs/dbraw/zinc/68/36/01/1040683601.db2.gz UBBHTQHGHWCNNR-QMMMGPOBSA-N 0 1 344.242 4.230 20 10 EICDMN COc1ccc2ccc(O)c(C[N@@H+](C)Cc3ccc(Cl)nc3)c2c1 ZINC000029886533 1042429847 /nfs/dbraw/zinc/42/98/47/1042429847.db2.gz CSCBEILWWWVPDW-UHFFFAOYSA-N 0 1 342.826 4.234 20 10 EICDMN CC[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715736048 1043207563 /nfs/dbraw/zinc/20/75/63/1043207563.db2.gz FTJNTAKXIBQPEQ-WDEREUQCSA-N 0 1 330.241 4.304 20 10 EICDMN Oc1ccc2ccccc2c1CN1CCO[C@H](c2ccccc2F)C1 ZINC000727423369 1043218893 /nfs/dbraw/zinc/21/88/93/1043218893.db2.gz FZRYQBHESOKSOP-NRFANRHFSA-N 0 1 337.394 4.258 20 10 EICDMN CN(Cc1ccc(F)cc1Cl)Cc1c(O)ccc2ccncc21 ZINC000730455813 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CCC[C@H](C[NH2+][C@H](CC)c1cc(Br)ccc1[O-])OC ZINC000378839876 1044414905 /nfs/dbraw/zinc/41/49/05/1044414905.db2.gz XJUIMUXBBKRTGD-TZMCWYRMSA-N 0 1 330.266 4.011 20 10 EICDMN CC(C)n1cc(NCc2cc(Cl)cc(Br)c2O)cn1 ZINC000708073663 1044833993 /nfs/dbraw/zinc/83/39/93/1044833993.db2.gz UGFHZEVXXGPYLZ-UHFFFAOYSA-N 0 1 344.640 4.198 20 10 EICDMN C[N@H+](Cc1cc(Br)ccc1[O-])C1CCC(F)(F)CC1 ZINC000711086034 1044839071 /nfs/dbraw/zinc/83/90/71/1044839071.db2.gz IZTSAWSOSAJAFO-UHFFFAOYSA-N 0 1 334.204 4.164 20 10 EICDMN C[N@@H+](Cc1cc(Br)ccc1[O-])C1CCC(F)(F)CC1 ZINC000711086034 1044839072 /nfs/dbraw/zinc/83/90/72/1044839072.db2.gz IZTSAWSOSAJAFO-UHFFFAOYSA-N 0 1 334.204 4.164 20 10 EICDMN CC[N@H+](Cc1cc2oc3ccccc3c2cc1[O-])C[C@@H]1CCOC1 ZINC000738077958 1045032727 /nfs/dbraw/zinc/03/27/27/1045032727.db2.gz YRMIJIWSNPVAEW-AWEZNQCLSA-N 0 1 325.408 4.150 20 10 EICDMN Fc1ccc(CNCc2ccc3c(c2)CCO3)c(Cl)c1Cl ZINC000762442023 1045240240 /nfs/dbraw/zinc/24/02/40/1045240240.db2.gz FJMQAMBHNVYCIF-UHFFFAOYSA-N 0 1 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C[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000185340698 1052581228 /nfs/dbraw/zinc/58/12/28/1052581228.db2.gz CWYOMBMSPPCDNJ-CQSZACIVSA-N 0 1 344.455 4.111 20 10 EICDMN Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000185559357 1052639661 /nfs/dbraw/zinc/63/96/61/1052639661.db2.gz XCCQYKFAQDHAOD-KGLIPLIRSA-N 0 1 337.467 4.178 20 10 EICDMN Cc1ccc(O)c([C@@H](C)NCc2nccn2CCCc2ccccc2)c1 ZINC000185662004 1052667488 /nfs/dbraw/zinc/66/74/88/1052667488.db2.gz TUCCPSFGJXNZEC-GOSISDBHSA-N 0 1 349.478 4.381 20 10 EICDMN CC[C@H]([NH2+]CCC1CC(OC)C1)c1cc(Br)ccc1[O-] ZINC000850483533 1053257643 /nfs/dbraw/zinc/25/76/43/1053257643.db2.gz YQEUNWFGONZCNB-HGMXIMQMSA-N 0 1 342.277 4.011 20 10 EICDMN CC[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850523799 1053282246 /nfs/dbraw/zinc/28/22/46/1053282246.db2.gz PJOYSCUHAAPCFO-OCCSQVGLSA-N 0 1 329.362 4.163 20 10 EICDMN CCN(C)c1ccc([C@H](C)NCc2cc(OC)ccc2OC)cc1 ZINC000764750234 1053288378 /nfs/dbraw/zinc/28/83/78/1053288378.db2.gz XSOVTITWHYLQLB-HNNXBMFYSA-N 0 1 328.456 4.011 20 10 EICDMN C[C@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1ccc2ccccc2c1[O-] ZINC000850552627 1053306093 /nfs/dbraw/zinc/30/60/93/1053306093.db2.gz XBUXEGBTYSCNJE-AWEZNQCLSA-N 0 1 335.451 4.397 20 10 EICDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000775647586 1053342911 /nfs/dbraw/zinc/34/29/11/1053342911.db2.gz YRGMKBMLORQTKJ-INIZCTEOSA-N 0 1 345.826 4.154 20 10 EICDMN Cc1cc(Br)cc(CN2CCC[C@H]2c2ccccn2)c1O ZINC000775650403 1053367588 /nfs/dbraw/zinc/36/75/88/1053367588.db2.gz BSWADOBMNDWACB-INIZCTEOSA-N 0 1 347.256 4.195 20 10 EICDMN CC[C@@H](NCc1cccnc1OC(C)C)c1ccc(N(C)C)cc1 ZINC000764985699 1053409903 /nfs/dbraw/zinc/40/99/03/1053409903.db2.gz UHOLRWJOLLUVNH-LJQANCHMSA-N 0 1 327.472 4.176 20 10 EICDMN CC[C@H](NCc1cccnc1OC(C)C)c1ccc(N(C)C)cc1 ZINC000764985697 1053410855 /nfs/dbraw/zinc/41/08/55/1053410855.db2.gz UHOLRWJOLLUVNH-IBGZPJMESA-N 0 1 327.472 4.176 20 10 EICDMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000775665171 1053443153 /nfs/dbraw/zinc/44/31/53/1053443153.db2.gz ZQMMMJVXZFRXDK-HOTGVXAUSA-N 0 1 336.907 4.132 20 10 EICDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000775670455 1053467090 /nfs/dbraw/zinc/46/70/90/1053467090.db2.gz ZHKNVSWIBVLXFO-IEBWSBKVSA-N 0 1 331.843 4.134 20 10 EICDMN [O-]c1c(Cl)cccc1CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000775679251 1053554436 /nfs/dbraw/zinc/55/44/36/1053554436.db2.gz SCKTWEBHJXDOJB-MRXNPFEDSA-N 0 1 336.907 4.134 20 10 EICDMN CC[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1cccc(OC)c1OC ZINC000865758531 1053585969 /nfs/dbraw/zinc/58/59/69/1053585969.db2.gz JZKNALHSVHVMOZ-HNNXBMFYSA-N 0 1 335.831 4.304 20 10 EICDMN CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1cccc(OC)c1OC ZINC000865758532 1053586411 /nfs/dbraw/zinc/58/64/11/1053586411.db2.gz JZKNALHSVHVMOZ-OAHLLOKOSA-N 0 1 335.831 4.304 20 10 EICDMN Fc1ccc2onc(CNCc3ccc(N4CCCCC4)cc3)c2c1 ZINC000865761686 1053587559 /nfs/dbraw/zinc/58/75/59/1053587559.db2.gz ZKAUPPLXYBMCKF-UHFFFAOYSA-N 0 1 339.414 4.247 20 10 EICDMN Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc(Cl)cc(F)c1[O-])CCC2 ZINC000775696053 1053612277 /nfs/dbraw/zinc/61/22/77/1053612277.db2.gz VRTKBMFWBCQDEU-CQSZACIVSA-N 0 1 340.851 4.459 20 10 EICDMN C[C@@H](N[C@H]1CCc2ccccc2-n2ccnc21)c1ccc(N(C)C)cc1 ZINC000853240817 1053657918 /nfs/dbraw/zinc/65/79/18/1053657918.db2.gz ILHQNPKIPXUVPS-UZLBHIALSA-N 0 1 346.478 4.276 20 10 EICDMN C[C@H]([NH2+]Cc1cnccc1C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000853242518 1053659577 /nfs/dbraw/zinc/65/95/77/1053659577.db2.gz PZRYSOZSNPXOAK-VIFPVBQESA-N 0 1 330.737 4.310 20 10 EICDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000775721286 1053685142 /nfs/dbraw/zinc/68/51/42/1053685142.db2.gz VOMDRFIAFGEEKE-OAHLLOKOSA-N 0 1 349.833 4.223 20 10 EICDMN COc1cc(O)c(CN2CC3(CCCC3)[C@H]2c2ccco2)cc1OC ZINC000853539100 1053685569 /nfs/dbraw/zinc/68/55/69/1053685569.db2.gz NDZDSUDZZAUYBI-LJQANCHMSA-N 0 1 343.423 4.120 20 10 EICDMN [O-]c1c(Cl)cccc1C[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000775724746 1053698824 /nfs/dbraw/zinc/69/88/24/1053698824.db2.gz KAUBEXQBTDLBDV-LJQANCHMSA-N 0 1 345.870 4.308 20 10 EICDMN COc1ccc(O)c(CN2CCCC[C@@H]2c2nc3ccccc3o2)c1 ZINC000775727778 1053708903 /nfs/dbraw/zinc/70/89/03/1053708903.db2.gz KOLOICNERLELDA-QGZVFWFLSA-N 0 1 338.407 4.269 20 10 EICDMN Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2cc(Br)ccc2[O-])s1 ZINC000866455473 1053739190 /nfs/dbraw/zinc/73/91/90/1053739190.db2.gz LYVYMCOUQKLQED-DTWKUNHWSA-N 0 1 341.274 4.331 20 10 EICDMN CC[C@H](NCc1ncc(Br)s1)c1ccc(C)cc1O ZINC000866619533 1053808217 /nfs/dbraw/zinc/80/82/17/1053808217.db2.gz DLRJENNJKSUSDZ-NSHDSACASA-N 0 1 341.274 4.161 20 10 EICDMN CC(C)(CC(F)(F)F)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000854473794 1053818327 /nfs/dbraw/zinc/81/83/27/1053818327.db2.gz DTYIYPGRGGJUKJ-UHFFFAOYSA-N 0 1 344.160 4.294 20 10 EICDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000858118182 1054420273 /nfs/dbraw/zinc/42/02/73/1054420273.db2.gz QVTXEKQAZJGGLN-HNNXBMFYSA-N 0 1 336.204 4.071 20 10 EICDMN CN(C)c1ccc(CNCc2csc(C(F)(F)F)c2)cc1F ZINC000858117008 1054421395 /nfs/dbraw/zinc/42/13/95/1054421395.db2.gz WTUFIECNPZOPHM-UHFFFAOYSA-N 0 1 332.366 4.262 20 10 EICDMN Cc1cccnc1[C@@H]([NH2+]Cc1c([O-])cccc1Br)C(C)C ZINC000858138431 1054422701 /nfs/dbraw/zinc/42/27/01/1054422701.db2.gz ZZKBZLADQBVLQN-INIZCTEOSA-N 0 1 349.272 4.345 20 10 EICDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](c2ccccc2C)C2CC2)c1[O-] ZINC000776020893 1054460502 /nfs/dbraw/zinc/46/05/02/1054460502.db2.gz BFJKOWVNCJRSOP-LJQANCHMSA-N 0 1 327.399 4.283 20 10 EICDMN C[C@@H](NCc1ccc(N(C)C)cc1)c1cc(-c2ccccc2)n(C)n1 ZINC000858347363 1054470884 /nfs/dbraw/zinc/47/08/84/1054470884.db2.gz WSPBRSXBAIQNMP-MRXNPFEDSA-N 0 1 334.467 4.004 20 10 EICDMN Cc1cc(CN[C@@H](c2nccn2C)C2CC2)c(C)n1-c1ccccc1 ZINC000858541514 1054512251 /nfs/dbraw/zinc/51/22/51/1054512251.db2.gz ASYHATNNJGOKCY-HXUWFJFHSA-N 0 1 334.467 4.069 20 10 EICDMN C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])c1ccns1 ZINC000858575999 1054521645 /nfs/dbraw/zinc/52/16/45/1054521645.db2.gz HCLNXQLJOUZRCG-IUCAKERBSA-N 0 1 327.247 4.023 20 10 EICDMN C[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1ccc2ccccc2c1[O-] ZINC000186189831 1054627096 /nfs/dbraw/zinc/62/70/96/1054627096.db2.gz DFKYYGXJGNAYHE-QKKBWIMNSA-N 0 1 339.410 4.243 20 10 EICDMN CC[C@H](c1ccncc1)[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000825935149 1055024671 /nfs/dbraw/zinc/02/46/71/1055024671.db2.gz NWHKJDPYCIZDQM-OAHLLOKOSA-N 0 1 335.245 4.133 20 10 EICDMN CC[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000825935149 1055024685 /nfs/dbraw/zinc/02/46/85/1055024685.db2.gz NWHKJDPYCIZDQM-OAHLLOKOSA-N 0 1 335.245 4.133 20 10 EICDMN Cc1cc([O-])c(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000825987348 1055098629 /nfs/dbraw/zinc/09/86/29/1055098629.db2.gz UQVOMXLXLOSCPA-UHFFFAOYSA-N 0 1 334.803 4.287 20 10 EICDMN Oc1ccccc1CN(Cc1nc2c(o1)CCCC2)C1CCCC1 ZINC000878102675 1055187726 /nfs/dbraw/zinc/18/77/26/1055187726.db2.gz CUUZAGOWPUUWCC-UHFFFAOYSA-N 0 1 326.440 4.204 20 10 EICDMN CO[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)c1ccc(Cl)cc1 ZINC000742377653 1058602390 /nfs/dbraw/zinc/60/23/90/1058602390.db2.gz PFSSARRKEFNKCY-INIZCTEOSA-N 0 1 326.223 4.176 20 10 EICDMN [O-]c1cc2c(cc1C[N@@H+]1CCC3(C1)CCOCC3)oc1ccccc12 ZINC000743404771 1058989128 /nfs/dbraw/zinc/98/91/28/1058989128.db2.gz CBIWHHDCODFBFG-UHFFFAOYSA-N 0 1 337.419 4.294 20 10 EICDMN [O-]c1cc2c(cc1C[N@H+]1CCC3(C1)CCOCC3)oc1ccccc12 ZINC000743404771 1058989156 /nfs/dbraw/zinc/98/91/56/1058989156.db2.gz CBIWHHDCODFBFG-UHFFFAOYSA-N 0 1 337.419 4.294 20 10 EICDMN COc1cccc([C@H](C)[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC000691441930 1061206105 /nfs/dbraw/zinc/20/61/05/1061206105.db2.gz YVIDHLZJIPPSPO-NSHDSACASA-N 0 1 336.229 4.014 20 10 EICDMN CC[C@H]([NH2+]Cc1cnc(C)s1)c1cc(Br)ccc1[O-] ZINC000040997429 522664620 /nfs/dbraw/zinc/66/46/20/522664620.db2.gz KXNDWZUSIHTXEV-ZDUSSCGKSA-N 0 1 341.274 4.161 20 10 EICDMN CCOCc1cc(CNCc2cccc(Cl)c2OC)ccc1OC ZINC000897483271 1032085054 /nfs/dbraw/zinc/08/50/54/1032085054.db2.gz NPJUAOGIHMNLCR-UHFFFAOYSA-N 0 1 349.858 4.184 20 10 EICDMN CC[C@H]([NH2+][C@H]1CCS[C@H]1C)c1cc(Br)ccc1[O-] ZINC000386139611 1021944966 /nfs/dbraw/zinc/94/49/66/1021944966.db2.gz APNOSVZATUYXNR-XDTLVQLUSA-N 0 1 330.291 4.089 20 10 EICDMN CC[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1cc(Br)ccc1[O-] ZINC000386139610 1021946169 /nfs/dbraw/zinc/94/61/69/1021946169.db2.gz APNOSVZATUYXNR-TVYUQYBPSA-N 0 1 330.291 4.089 20 10 EICDMN Cc1ccc([C@H](C)NCc2ccsc2Br)c(O)c1 ZINC000282436805 1021971522 /nfs/dbraw/zinc/97/15/22/1021971522.db2.gz MRJCDLOFXNXYNL-JTQLQIEISA-N 0 1 326.259 4.375 20 10 EICDMN CCNC(=O)Nc1cccc(N[C@@H](C)c2ccc(F)c(F)c2O)c1C ZINC000278806400 1022896899 /nfs/dbraw/zinc/89/68/99/1022896899.db2.gz NHDAGUIVMFYMRG-NSHDSACASA-N 0 1 349.381 4.293 20 10 EICDMN C[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccc2ccccc2c1[O-] ZINC000185091114 1023006121 /nfs/dbraw/zinc/00/61/21/1023006121.db2.gz GOHYIZYHWOHXMY-OAHLLOKOSA-N 0 1 340.467 4.035 20 10 EICDMN Cc1cc(Br)cc(C[N@H+]2CCCC(F)(F)CC2)c1O ZINC000702823675 1023063713 /nfs/dbraw/zinc/06/37/13/1023063713.db2.gz KDKBVGHZKGRGGW-UHFFFAOYSA-N 0 1 334.204 4.084 20 10 EICDMN C[C@H]([NH2+]C[C@H]1Cc2ccccc21)c1cc(Br)ccc1[O-] ZINC000756534684 1023404139 /nfs/dbraw/zinc/40/41/39/1023404139.db2.gz MPQYXOVJAFDKBP-WCQYABFASA-N 0 1 332.241 4.145 20 10 EICDMN CSCC[C@@H](C)[N@@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000781908432 1023505515 /nfs/dbraw/zinc/50/55/15/1023505515.db2.gz IWCVHFZCUJQWJW-LLVKDONJSA-N 0 1 332.307 4.037 20 10 EICDMN COC(=O)Nc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000122406045 1023536642 /nfs/dbraw/zinc/53/66/42/1023536642.db2.gz RPNPQIQMXQQTKD-UHFFFAOYSA-N 0 1 341.194 4.489 20 10 EICDMN CC[C@@H]([NH2+]CC1(SC)CC1)c1cc(Br)ccc1[O-] ZINC000193824736 1023729701 /nfs/dbraw/zinc/72/97/01/1023729701.db2.gz KWMRELTXOBKQJW-GFCCVEGCSA-N 0 1 330.291 4.091 20 10 EICDMN CC[C@H]([NH2+]CCOC(C)(C)C)c1cc(Br)ccc1[O-] ZINC000308693672 1024360267 /nfs/dbraw/zinc/36/02/67/1024360267.db2.gz NRFGLZOUYNFJSS-ZDUSSCGKSA-N 0 1 330.266 4.011 20 10 EICDMN CCN(C)c1ccc([C@H](C)N[C@H](c2n[nH]c(C)n2)c2ccccc2)cc1 ZINC000162498621 1025147398 /nfs/dbraw/zinc/14/73/98/1025147398.db2.gz KSEGXMKDHWHSOS-YWZLYKJASA-N 0 1 349.482 4.009 20 10 EICDMN COc1ccc(C[N@H+]2CC(C)(C)[C@@H]2c2cccs2)c(O)c1OC ZINC000894517635 1026120521 /nfs/dbraw/zinc/12/05/21/1026120521.db2.gz NCXHZRZLFDCWCO-KRWDZBQOSA-N 0 1 333.453 4.054 20 10 EICDMN COc1ccc(CN2CC(C)(C)[C@@H]2c2cccs2)c(O)c1OC ZINC000894517635 1026120526 /nfs/dbraw/zinc/12/05/26/1026120526.db2.gz NCXHZRZLFDCWCO-KRWDZBQOSA-N 0 1 333.453 4.054 20 10 EICDMN CN(C)c1ccc(CNCc2ccc(CSC(F)F)o2)cc1 ZINC000061556618 1026368375 /nfs/dbraw/zinc/36/83/75/1026368375.db2.gz DBKDXSLIOMTADB-UHFFFAOYSA-N 0 1 326.412 4.091 20 10 EICDMN CC[C@H]([NH2+]Cc1ccc(C)nc1)c1cc(Br)ccc1[O-] ZINC000062050871 1026391266 /nfs/dbraw/zinc/39/12/66/1026391266.db2.gz XITYGGOFMKXLFC-HNNXBMFYSA-N 0 1 335.245 4.099 20 10 EICDMN Cc1nnc([C@H](C)NCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)[nH]1 ZINC000894771580 1026413572 /nfs/dbraw/zinc/41/35/72/1026413572.db2.gz NYTULBPTYXDFDK-LBPRGKRZSA-N 0 1 344.503 4.265 20 10 EICDMN C[C@H]1[C@@H](C)[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C[C@H]1C ZINC000708074805 1026840429 /nfs/dbraw/zinc/84/04/29/1026840429.db2.gz GPHVAZXOTPYFLB-OPRDCNLKSA-N 0 1 332.669 4.284 20 10 EICDMN CC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708132603 1027405078 /nfs/dbraw/zinc/40/50/78/1027405078.db2.gz FFGZREGSNNTZGP-JTQLQIEISA-N 0 1 332.669 4.430 20 10 EICDMN CC[C@H](NCc1nnc(-c2ccccc2)s1)c1ccccc1O ZINC000155806698 1028528690 /nfs/dbraw/zinc/52/86/90/1028528690.db2.gz IWBGLYPHCBGWHI-HNNXBMFYSA-N 0 1 325.437 4.152 20 10 EICDMN COc1cc(C[NH2+]Cc2c([O-])cc(C)cc2Cl)ccc1OC(C)C ZINC000840876230 1029726078 /nfs/dbraw/zinc/72/60/78/1029726078.db2.gz SMQMSUJVNUWFBH-UHFFFAOYSA-N 0 1 349.858 4.440 20 10 EICDMN C[C@@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccc2ccccc2c1[O-] ZINC000185878883 1030236132 /nfs/dbraw/zinc/23/61/32/1030236132.db2.gz VMCKVCSDWBQXBU-KUHUBIRLSA-N 0 1 346.430 4.322 20 10 EICDMN CCOc1ccc(O)c(CNC(C)(C)c2nc3ccccc3s2)c1 ZINC000527746261 1030839932 /nfs/dbraw/zinc/83/99/32/1030839932.db2.gz VAMPFGMUWHMBNI-UHFFFAOYSA-N 0 1 342.464 4.426 20 10 EICDMN COc1ccc([C@@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])C2CC2)cn1 ZINC000528042632 1031055545 /nfs/dbraw/zinc/05/55/45/1031055545.db2.gz GDCVFNYAGCOAGO-ZMZPIMSZSA-N 0 1 332.831 4.251 20 10 EICDMN [O-]c1ccc(Br)cc1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000227435698 1035799697 /nfs/dbraw/zinc/79/96/97/1035799697.db2.gz DVRPCHGFMPAYDG-QGZVFWFLSA-N 0 1 332.241 4.396 20 10 EICDMN COc1cc(Cl)cc(CN2CCCC[C@H]2c2cccn2C)c1O ZINC000761201563 1036026643 /nfs/dbraw/zinc/02/66/43/1036026643.db2.gz BZMWKPRPKIFAOE-INIZCTEOSA-N 0 1 334.847 4.120 20 10 EICDMN CCc1ccc([C@@H](COC)N[C@H](CC)c2ccc(N(C)C)cc2)o1 ZINC000165263824 1036742036 /nfs/dbraw/zinc/74/20/36/1036742036.db2.gz WGJAWWRLJAJGIW-RTBURBONSA-N 0 1 330.472 4.336 20 10 EICDMN CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Br)ccc2[O-])CCO1 ZINC000273447926 1037468085 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C[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1cncs1 ZINC000897932554 1047502530 /nfs/dbraw/zinc/50/25/30/1047502530.db2.gz MZVVDOXLRVSOTI-SNVBAGLBSA-N 0 1 329.391 4.079 20 10 EICDMN CC(C)c1ncc(C(=O)NCc2cc(Cl)cc(Cl)c2O)s1 ZINC000807840815 1047511499 /nfs/dbraw/zinc/51/14/99/1047511499.db2.gz KYPBGLZFVOURJP-UHFFFAOYSA-N 0 1 345.251 4.209 20 10 EICDMN Cn1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c2ccccc21 ZINC000807835587 1047519900 /nfs/dbraw/zinc/51/99/00/1047519900.db2.gz IKYGCVFHYWXBAF-UHFFFAOYSA-N 0 1 349.217 4.121 20 10 EICDMN Cc1cc(F)cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807835303 1047520065 /nfs/dbraw/zinc/52/00/65/1047520065.db2.gz DYNLQWKXFYYUJS-UHFFFAOYSA-N 0 1 328.170 4.077 20 10 EICDMN Cc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)sc1C ZINC000807839588 1047521805 /nfs/dbraw/zinc/52/18/05/1047521805.db2.gz IESFBOWCNQTZNM-UHFFFAOYSA-N 0 1 330.236 4.307 20 10 EICDMN O=C(C[C@H]1CCC(F)(F)C1)NCc1cc(Cl)cc(Cl)c1O ZINC000807839634 1047522222 /nfs/dbraw/zinc/52/22/22/1047522222.db2.gz QQCRZKNYWYROJM-MRVPVSSYSA-N 0 1 338.181 4.141 20 10 EICDMN CC(C)C[C@@H](C)OCCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838623 1047522730 /nfs/dbraw/zinc/52/27/30/1047522730.db2.gz ZIPAXMMBFWYYLJ-LLVKDONJSA-N 0 1 348.270 4.157 20 10 EICDMN O=C(C[C@@H]1CCC(F)(F)C1)NCc1cc(Cl)cc(Cl)c1O ZINC000807839635 1047523572 /nfs/dbraw/zinc/52/35/72/1047523572.db2.gz QQCRZKNYWYROJM-QMMMGPOBSA-N 0 1 338.181 4.141 20 10 EICDMN C[N@@H+](CCc1ccc(C(F)(F)F)cc1)Cc1cc(F)c(F)cc1[O-] ZINC001142534778 1047555438 /nfs/dbraw/zinc/55/54/38/1047555438.db2.gz WHTAQEQCVKKCFO-UHFFFAOYSA-N 0 1 345.311 4.364 20 10 EICDMN CSC[C@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000814178941 1047868835 /nfs/dbraw/zinc/86/88/35/1047868835.db2.gz JVXPTDCVNSJCKG-LBPRGKRZSA-N 0 1 344.318 4.038 20 10 EICDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1Cl ZINC000824926826 1047996017 /nfs/dbraw/zinc/99/60/17/1047996017.db2.gz HXENCMZUIBHOPM-PBHICJAKSA-N 0 1 335.831 4.035 20 10 EICDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1Cl ZINC000824926826 1047996039 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[O-]c1cc(Br)ccc1C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000825240141 1048057882 /nfs/dbraw/zinc/05/78/82/1048057882.db2.gz DLOLYRPQIMEJES-HNNXBMFYSA-N 0 1 336.204 4.071 20 10 EICDMN Cc1cc([O-])c(C[NH2+]Cc2cccc(OCC(F)F)c2)cc1Cl ZINC000825254639 1048060965 /nfs/dbraw/zinc/06/09/65/1048060965.db2.gz TWWCMZKAQNODNU-UHFFFAOYSA-N 0 1 341.785 4.288 20 10 EICDMN Cc1cc(Cl)cc([C@H](C)N[C@H](C)c2c(F)cncc2F)c1O ZINC000808719996 1048069486 /nfs/dbraw/zinc/06/94/86/1048069486.db2.gz ZNQYAZSAMAHIDA-VHSXEESVSA-N 0 1 326.774 4.439 20 10 EICDMN Cc1cc([O-])c(C[NH2+][C@@H](C)C[C@@H](O)c2cccs2)cc1Cl ZINC000825396575 1048087495 /nfs/dbraw/zinc/08/74/95/1048087495.db2.gz VBIIPCVFAOTIRL-XHDPSFHLSA-N 0 1 325.861 4.017 20 10 EICDMN Cc1cc([O-])c(C[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)cc1Cl ZINC000825526387 1048111326 /nfs/dbraw/zinc/11/13/26/1048111326.db2.gz RASZUASHRDCATB-LPHOPBHVSA-N 0 1 331.843 4.364 20 10 EICDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000809728883 1048480722 /nfs/dbraw/zinc/48/07/22/1048480722.db2.gz KEDKUQRRSDULSP-MRXNPFEDSA-N 0 1 347.256 4.195 20 10 EICDMN CC(C)c1cnc(CNCc2cc(Br)ccc2O)s1 ZINC000809713078 1048490286 /nfs/dbraw/zinc/49/02/86/1048490286.db2.gz HUBUOBIIFVMNQD-UHFFFAOYSA-N 0 1 341.274 4.024 20 10 EICDMN [O-]c1c(Cl)cccc1C[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000809768339 1048501414 /nfs/dbraw/zinc/50/14/14/1048501414.db2.gz INIUHQPILBZRSL-DZGCQCFKSA-N 0 1 349.883 4.046 20 10 EICDMN COc1cccc(CNCc2ccc(Oc3ccccc3)o2)c1O ZINC000809740359 1048513204 /nfs/dbraw/zinc/51/32/04/1048513204.db2.gz VIWIMLSHOWHZHW-UHFFFAOYSA-N 0 1 325.364 4.076 20 10 EICDMN Cc1cc(C)c([C@@H](C)NCc2c(F)c(F)cc(F)c2F)c(O)c1 ZINC000815595821 1048529413 /nfs/dbraw/zinc/52/94/13/1048529413.db2.gz CIYBPYIEKXPVFI-SNVBAGLBSA-N 0 1 327.321 4.416 20 10 EICDMN C[C@H]1C[C@@H](NCc2c(F)cc(F)cc2F)c2c1c(F)ccc2O ZINC000815649821 1048574694 /nfs/dbraw/zinc/57/46/94/1048574694.db2.gz ZSMQUIJYNBXYKE-RMLUDKJBSA-N 0 1 325.305 4.287 20 10 EICDMN Cc1ccc(C[N@H+](C)Cc2cc(Br)c(F)cc2[O-])cc1 ZINC001144300178 1048577436 /nfs/dbraw/zinc/57/74/36/1048577436.db2.gz VVXPQOWAQPWGTP-UHFFFAOYSA-N 0 1 338.220 4.234 20 10 EICDMN O=C(Nc1cccc(N2CCCCC2)c1)c1c(O)cccc1Cl ZINC000920462729 1048679449 /nfs/dbraw/zinc/67/94/49/1048679449.db2.gz JCLDIQBWDZHGDQ-UHFFFAOYSA-N 0 1 330.815 4.288 20 10 EICDMN CC[C@H]([NH2+]Cc1cnc(C)s1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215914 1048684620 /nfs/dbraw/zinc/68/46/20/1048684620.db2.gz ONQRGSRNBAIAPR-ZDUSSCGKSA-N 0 1 330.375 4.417 20 10 EICDMN CC[C@@H]([NH2+][C@@H](C)c1cn(C)nc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215217 1048684710 /nfs/dbraw/zinc/68/47/10/1048684710.db2.gz AMJBNRHINMGZKE-ZUZCIYMTSA-N 0 1 341.377 4.255 20 10 EICDMN CC[C@@H]([NH2+]Cc1scnc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217188 1048686736 /nfs/dbraw/zinc/68/67/36/1048686736.db2.gz XXTJEFMWBLZTHO-GFCCVEGCSA-N 0 1 330.375 4.417 20 10 EICDMN CC[C@H]([NH2+]Cc1cccnc1F)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238162 1048718493 /nfs/dbraw/zinc/71/84/93/1048718493.db2.gz NLEYQBMFEWCHRK-ZDUSSCGKSA-N 0 1 328.309 4.186 20 10 EICDMN CC[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810240827 1048723633 /nfs/dbraw/zinc/72/36/33/1048723633.db2.gz GRLZYIFLNRHCQO-HUBLWGQQSA-N 0 1 331.378 4.124 20 10 EICDMN C[C@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1cc(Cl)ccc1[O-] ZINC000810253478 1048732793 /nfs/dbraw/zinc/73/27/93/1048732793.db2.gz VBNDFHLCELRAGS-GTNSWQLSSA-N 0 1 337.872 4.246 20 10 EICDMN Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc(Cl)c(F)cc1[O-])CCC2 ZINC000816510522 1048823290 /nfs/dbraw/zinc/82/32/90/1048823290.db2.gz YCENIHJHXMVFDI-CQSZACIVSA-N 0 1 340.851 4.459 20 10 EICDMN Oc1c(CN2CCO[C@H](c3ccsc3)C2)ccc2ccccc21 ZINC000816516502 1048823800 /nfs/dbraw/zinc/82/38/00/1048823800.db2.gz HLSSEAGQDKVUOG-SFHVURJKSA-N 0 1 325.433 4.180 20 10 EICDMN CN1CCCc2cc(C[NH2+]Cc3ccc4ccccc4c3[O-])ccc21 ZINC000816542843 1048827588 /nfs/dbraw/zinc/82/75/88/1048827588.db2.gz CTQNNAGHTHETLG-UHFFFAOYSA-N 0 1 332.447 4.218 20 10 EICDMN COc1cccc([C@@H](C)N[C@H](C)c2nc(C(F)(F)F)cs2)c1O ZINC000846167121 1048828406 /nfs/dbraw/zinc/82/84/06/1048828406.db2.gz GSEXLCCRVJGVAJ-RKDXNWHRSA-N 0 1 346.374 4.288 20 10 EICDMN COc1cccc([C@@H](C)N[C@H](C)c2nc3ccccc3s2)c1O ZINC000846144312 1048831634 /nfs/dbraw/zinc/83/16/34/1048831634.db2.gz KHNOPYPUZNWDST-VXGBXAGGSA-N 0 1 328.437 4.422 20 10 EICDMN [O-]c1c(C[NH2+]C[C@H](O)c2c(F)cccc2Cl)ccc2ccccc12 ZINC000816553395 1048831940 /nfs/dbraw/zinc/83/19/40/1048831940.db2.gz UHHBOSDRJVGSMB-KRWDZBQOSA-N 0 1 345.801 4.161 20 10 EICDMN CC(=O)N1CC[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])c2ccccc21 ZINC000816559017 1048835939 /nfs/dbraw/zinc/83/59/39/1048835939.db2.gz UXLZEHNBCGXQHC-FQEVSTJZSA-N 0 1 346.430 4.133 20 10 EICDMN Cc1cc(C)c(NC(=O)C[NH2+]Cc2ccc3ccccc3c2[O-])c(C)c1 ZINC000816560969 1048835953 /nfs/dbraw/zinc/83/59/53/1048835953.db2.gz HDWYBAUAJHJWAF-UHFFFAOYSA-N 0 1 348.446 4.199 20 10 EICDMN [O-]c1c(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)ccc2ccccc21 ZINC000816558643 1048836001 /nfs/dbraw/zinc/83/60/01/1048836001.db2.gz IAPSPUINITVFRE-QGZVFWFLSA-N 0 1 343.492 4.080 20 10 EICDMN C[C@H]([NH2+]Cc1ccc2ccccc2c1[O-])c1ccc([S@@](C)=O)cc1 ZINC000816559397 1048836149 /nfs/dbraw/zinc/83/61/49/1048836149.db2.gz JBKCAMOXHUIUIW-LFPIHBKWSA-N 0 1 339.460 4.134 20 10 EICDMN [O-]c1c(C[NH2+]CCc2ccc(F)c(F)c2F)ccc2ccccc21 ZINC000816568025 1048836485 /nfs/dbraw/zinc/83/64/85/1048836485.db2.gz ULHZMIFVRQEIAP-UHFFFAOYSA-N 0 1 331.337 4.295 20 10 EICDMN CC(C)(C)Oc1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cn1 ZINC000816564797 1048836639 /nfs/dbraw/zinc/83/66/39/1048836639.db2.gz QEMPQOYRQHFGBI-UHFFFAOYSA-N 0 1 336.435 4.408 20 10 EICDMN C[C@@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000846187073 1048836766 /nfs/dbraw/zinc/83/67/66/1048836766.db2.gz HXYDTTKVLJCLIV-JLTOFOAXSA-N 0 1 325.452 4.401 20 10 EICDMN C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1cc(Cl)ccc1[O-] ZINC000846201280 1048841342 /nfs/dbraw/zinc/84/13/42/1048841342.db2.gz NCZXJQXEKWSXHX-DWQUBVKVSA-N 0 1 332.831 4.012 20 10 EICDMN CC[C@@H]([NH2+][C@H]1CCO[C@H](CC)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817415731 1048966806 /nfs/dbraw/zinc/96/68/06/1048966806.db2.gz XQHKBXPYXABGFQ-GZBFAFLISA-N 0 1 331.378 4.409 20 10 EICDMN Cc1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])cc(C)n1 ZINC000817590463 1049018761 /nfs/dbraw/zinc/01/87/61/1049018761.db2.gz XNXKPNXOZBJTKP-LBPRGKRZSA-N 0 1 335.245 4.017 20 10 EICDMN CC[C@H]([NH2+][C@@H]1CCO[C@H](CC)C1)c1cc(Br)ccc1[O-] ZINC000817586791 1049019531 /nfs/dbraw/zinc/01/95/31/1049019531.db2.gz SGXIZZYSARZBBU-NFAWXSAZSA-N 0 1 342.277 4.153 20 10 EICDMN CCOC(=O)CCC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000747816410 1049580339 /nfs/dbraw/zinc/58/03/39/1049580339.db2.gz FBKWYNUTEMIUFQ-UHFFFAOYSA-N 0 1 341.451 4.101 20 10 EICDMN CC[C@H]([NH2+][C@H](C)c1ccns1)c1cc(Br)ccc1[O-] ZINC000715992944 1049666419 /nfs/dbraw/zinc/66/64/19/1049666419.db2.gz HGOZYPLNBBKPFG-SKDRFNHKSA-N 0 1 341.274 4.413 20 10 EICDMN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1Br ZINC000037363175 1049702947 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EICDMN CN(Cc1ccc(N(C)Cc2cccs2)cc1)Cc1ccccn1 ZINC000824153243 1049902991 /nfs/dbraw/zinc/90/29/91/1049902991.db2.gz DVANQNFQFAEQOW-UHFFFAOYSA-N 0 1 337.492 4.412 20 10 EICDMN CCOc1cccc([C@@H](C)NCc2cc(F)c(N(C)C)cc2F)c1 ZINC001177553939 1050238870 /nfs/dbraw/zinc/23/88/70/1050238870.db2.gz GQVTXBGBERDJEO-CYBMUJFWSA-N 0 1 334.410 4.280 20 10 EICDMN CCOc1cc(Cl)ccc1CNCc1ccc(N(C)C)c(F)c1 ZINC001178272563 1050426945 /nfs/dbraw/zinc/42/69/45/1050426945.db2.gz ZVKQPACNWIBCTR-UHFFFAOYSA-N 0 1 336.838 4.234 20 10 EICDMN Cc1nc2c(cccc2CC[NH2+]Cc2c([O-])cc(C)cc2Cl)o1 ZINC001179531093 1050711564 /nfs/dbraw/zinc/71/15/64/1050711564.db2.gz HQFQQUDGTNHXAJ-UHFFFAOYSA-N 0 1 330.815 4.136 20 10 EICDMN CN(C)c1ccc(CN(C)Cc2ccsc2C(F)(F)F)cc1 ZINC001179845294 1050798137 /nfs/dbraw/zinc/79/81/37/1050798137.db2.gz NVSRPNWWIUEBQY-UHFFFAOYSA-N 0 1 328.403 4.465 20 10 EICDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC001179855034 1050800551 /nfs/dbraw/zinc/80/05/51/1050800551.db2.gz 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C[C@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1cc(Br)ccc1[O-] ZINC000850543274 1053304213 /nfs/dbraw/zinc/30/42/13/1053304213.db2.gz HDPBPQQXAWWXGK-QFYYESIMSA-N 0 1 348.240 4.198 20 10 EICDMN CCSC1(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000850552293 1053306425 /nfs/dbraw/zinc/30/64/25/1053306425.db2.gz LTXALBGBSAJMJE-JTQLQIEISA-N 0 1 330.291 4.091 20 10 EICDMN CC(C)[C@H](O)[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000850555207 1053310519 /nfs/dbraw/zinc/31/05/19/1053310519.db2.gz NKBYHGCASAKIGA-BKTGTZMESA-N 0 1 333.859 4.454 20 10 EICDMN CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cccc(Cl)c1[O-] ZINC000775644365 1053312525 /nfs/dbraw/zinc/31/25/25/1053312525.db2.gz JEOIAGYXQQDLNC-UHFFFAOYSA-N 0 1 335.831 4.085 20 10 EICDMN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1Cl ZINC000850565135 1053320484 /nfs/dbraw/zinc/32/04/84/1053320484.db2.gz BAWVFKSPMATLRJ-OAHLLOKOSA-N 0 1 344.886 4.152 20 10 EICDMN Cc1cc(Br)cc(CN2CCC[C@@H]2c2cccn2C)c1O ZINC000775644782 1053333550 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Cc1ncc([C@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2[O-])s1 ZINC000866455225 1053737806 /nfs/dbraw/zinc/73/78/06/1053737806.db2.gz KDJAIRYTMZHKGQ-IUCAKERBSA-N 0 1 341.274 4.331 20 10 EICDMN CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])CCO2 ZINC000825548872 1053751696 /nfs/dbraw/zinc/75/16/96/1053751696.db2.gz IYHIMFVQDSJSDY-KRWDZBQOSA-N 0 1 347.842 4.366 20 10 EICDMN C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000866540293 1053776545 /nfs/dbraw/zinc/77/65/45/1053776545.db2.gz YDXKFGJTHVESQH-VHFSOBRXSA-N 0 1 325.452 4.259 20 10 EICDMN Cc1cc(C)c([C@H](C)NCc2ncc(Br)s2)c(O)c1 ZINC000866619536 1053809027 /nfs/dbraw/zinc/80/90/27/1053809027.db2.gz DMXZXLCWUOZZHZ-JTQLQIEISA-N 0 1 341.274 4.079 20 10 EICDMN Cc1ccc([C@@H](C)NCc2ncc(Br)s2)c(O)c1C ZINC000866619574 1053809234 /nfs/dbraw/zinc/80/92/34/1053809234.db2.gz FEAAVGXMDSHVEM-SNVBAGLBSA-N 0 1 341.274 4.079 20 10 EICDMN O=S(=O)(Nc1cccnc1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197147855 1053844083 /nfs/dbraw/zinc/84/40/83/1053844083.db2.gz IUBFJTQWJARGPD-FMQUCBEESA-N 0 1 338.392 4.298 20 10 EICDMN CCn1c(CN[C@@H](C)c2ccc(N(C)C)cc2)nc2c1cccc2F ZINC000775831866 1054105555 /nfs/dbraw/zinc/10/55/55/1054105555.db2.gz VQYYAGABNPLBCS-AWEZNQCLSA-N 0 1 340.446 4.112 20 10 EICDMN CC(C)c1cccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000857508787 1054286294 /nfs/dbraw/zinc/28/62/94/1054286294.db2.gz XZXLSYVDEMKEBM-UHFFFAOYSA-N 0 1 339.222 4.147 20 10 EICDMN CCN(CC)c1ccc(CNCc2nc3c(s2)C[C@H](C)CC3)cc1 ZINC001199403607 1054406526 /nfs/dbraw/zinc/40/65/26/1054406526.db2.gz WOMVIKFOBVDBRA-OAHLLOKOSA-N 0 1 343.540 4.404 20 10 EICDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872261570 1054427679 /nfs/dbraw/zinc/42/76/79/1054427679.db2.gz HVQIMAFVYPQTET-HNNXBMFYSA-N 0 1 327.827 4.108 20 10 EICDMN CO[C@H](CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1)C(F)(F)F ZINC000777012946 1054453899 /nfs/dbraw/zinc/45/38/99/1054453899.db2.gz SNOYSOACHSPEAS-BLLLJJGKSA-N 0 1 348.384 4.044 20 10 EICDMN C[C@@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1ccc2ccccc2c1[O-] ZINC000858452325 1054493391 /nfs/dbraw/zinc/49/33/91/1054493391.db2.gz KFYGFJYDVZINPF-LLVKDONJSA-N 0 1 349.356 4.149 20 10 EICDMN CC[C@@H](Nc1cnn(CCF)c1)c1ccc(Cl)c(Cl)c1O ZINC000858491855 1054499457 /nfs/dbraw/zinc/49/94/57/1054499457.db2.gz PNAHZMOLTGTHNZ-GFCCVEGCSA-N 0 1 332.206 4.428 20 10 EICDMN C[C@H](NCc1ccc(N2CCCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000873183803 1054504779 /nfs/dbraw/zinc/50/47/79/1054504779.db2.gz JNSJXGNYIYAIGA-INIZCTEOSA-N 0 1 339.439 4.436 20 10 EICDMN CCCN(CCC)c1ccc(CN[C@@H](C)c2nccnc2C)cc1 ZINC000873187944 1054507438 /nfs/dbraw/zinc/50/74/38/1054507438.db2.gz DFJRGUDALOMZEI-KRWDZBQOSA-N 0 1 326.488 4.262 20 10 EICDMN COc1ccccc1OC[C@@H](C)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC001201529495 1054845707 /nfs/dbraw/zinc/84/57/07/1054845707.db2.gz PPSPKKFPZYZISV-AWEZNQCLSA-N 0 1 349.858 4.167 20 10 EICDMN Cc1ccc(NC(=O)C(C)C)cc1NCc1ccc(F)c(F)c1O ZINC000876818741 1054962774 /nfs/dbraw/zinc/96/27/74/1054962774.db2.gz YIYASABRSLJQQW-UHFFFAOYSA-N 0 1 334.366 4.185 20 10 EICDMN Cc1ccc(CNCc2csc(CCc3ccccc3)n2)c(O)c1 ZINC000877158682 1055027764 /nfs/dbraw/zinc/02/77/64/1055027764.db2.gz KRJVDDSTXAGQHB-UHFFFAOYSA-N 0 1 338.476 4.232 20 10 EICDMN Oc1ccccc1CN(Cc1ccco1)Cc1cccc2c1CCOC2 ZINC000878240431 1055216473 /nfs/dbraw/zinc/21/64/73/1055216473.db2.gz HLIPDCNYYITRET-UHFFFAOYSA-N 0 1 349.430 4.260 20 10 EICDMN C[C@@H](C[N@H+](Cc1ccccc1[O-])C1CCCC1)NC(=O)OC(C)(C)C ZINC000785453089 1056421039 /nfs/dbraw/zinc/42/10/39/1056421039.db2.gz AYIAUQHXXSZPMG-HNNXBMFYSA-N 0 1 348.487 4.050 20 10 EICDMN C[C@@H](C[N@@H+](Cc1ccccc1[O-])C1CCCC1)NC(=O)OC(C)(C)C ZINC000785453089 1056421080 /nfs/dbraw/zinc/42/10/80/1056421080.db2.gz AYIAUQHXXSZPMG-HNNXBMFYSA-N 0 1 348.487 4.050 20 10 EICDMN C[C@@H]([NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1)c1ccc(Cl)cc1[O-] ZINC000841752513 1032338463 /nfs/dbraw/zinc/33/84/63/1032338463.db2.gz PGMJNQNFOXPNMM-JDNHERCYSA-N 0 1 344.213 4.222 20 10 EICDMN CC(C)c1ncc(CN(Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000160171938 1018774256 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C[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)cc1)c1cc(Cl)ccc1[O-] ZINC000359958557 1031903406 /nfs/dbraw/zinc/90/34/06/1031903406.db2.gz KKLLXWCTSHWKSW-GFCCVEGCSA-N 0 1 327.815 4.287 20 10 EICDMN CCS[C@@H]1CCCC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000761199765 1036014126 /nfs/dbraw/zinc/01/41/26/1036014126.db2.gz RRFSOIZLWKEZEM-CQSZACIVSA-N 0 1 329.893 4.162 20 10 EICDMN CCOCc1cc(CN[C@@H](CCOC)c2ccc(C)o2)ccc1OC ZINC000272265032 1037148647 /nfs/dbraw/zinc/14/86/47/1037148647.db2.gz JQSMCZWJTISVSS-SFHVURJKSA-N 0 1 347.455 4.001 20 10 EICDMN C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000273549123 1037502912 /nfs/dbraw/zinc/50/29/12/1037502912.db2.gz FPISRHIISAPGJW-NEPJUHHUSA-N 0 1 327.346 4.163 20 10 EICDMN C[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000273549127 1037503294 /nfs/dbraw/zinc/50/32/94/1037503294.db2.gz FPISRHIISAPGJW-VXGBXAGGSA-N 0 1 327.346 4.163 20 10 EICDMN CC[C@H](N[C@H](C)c1cc(Cl)ccc1O)c1nnc2n1CCCCC2 ZINC000273560443 1037507221 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335.831 4.085 20 10 EICDMN CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1c([O-])cccc1Cl ZINC000768204217 1045744584 /nfs/dbraw/zinc/74/45/84/1045744584.db2.gz SHIUSYXCIZLEND-UHFFFAOYSA-N 0 1 335.831 4.085 20 10 EICDMN COc1cccc(O)c1CN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000768258674 1045767111 /nfs/dbraw/zinc/76/71/11/1045767111.db2.gz VIVJIIAIIKTKCH-CZUORRHYSA-N 0 1 327.424 4.282 20 10 EICDMN C[C@@H]1C[C@@H]1c1ccc(CN(Cc2cc3c(cc2O)OCO3)C2CC2)o1 ZINC000768258145 1045769909 /nfs/dbraw/zinc/76/99/09/1045769909.db2.gz QQPLYMUIUSWUSV-WBMJQRKESA-N 0 1 341.407 4.002 20 10 EICDMN C[C@H](c1ccccc1F)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000768265245 1045772091 /nfs/dbraw/zinc/77/20/91/1045772091.db2.gz SVEMGVPUQAVMPG-LLVKDONJSA-N 0 1 338.220 4.487 20 10 EICDMN C[C@@H]1CN(Cc2cc3c(cc2O)CCCC3)C[C@H](c2ccsc2)O1 ZINC000768465324 1045811342 /nfs/dbraw/zinc/81/13/42/1045811342.db2.gz ZQSKZGNSWAZESQ-JLTOFOAXSA-N 0 1 343.492 4.295 20 10 EICDMN Cc1cc([C@H]2CCCN2Cc2ccc(N3CCCCC3)cc2)on1 ZINC000768879824 1045853061 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[O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825045701 1048023984 /nfs/dbraw/zinc/02/39/84/1048023984.db2.gz JNMAQIQEZKLVBN-GFCCVEGCSA-N 0 1 327.733 4.240 20 10 EICDMN CCc1ncc(CNCc2ccc(N(C)Cc3cccs3)cc2)o1 ZINC000825079059 1048033237 /nfs/dbraw/zinc/03/32/37/1048033237.db2.gz KLQSEOLXZIVSSN-UHFFFAOYSA-N 0 1 341.480 4.225 20 10 EICDMN CCc1ncc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)o1 ZINC000825078962 1048033282 /nfs/dbraw/zinc/03/32/82/1048033282.db2.gz HTIVGHBLFBLHEC-UHFFFAOYSA-N 0 1 347.462 4.090 20 10 EICDMN Cc1ccn2cc(CN[C@H](C)c3cc(Cl)cc(C)c3O)nc2c1 ZINC000808690274 1048039037 /nfs/dbraw/zinc/03/90/37/1048039037.db2.gz CIFHFLBHRSMINT-CYBMUJFWSA-N 0 1 329.831 4.161 20 10 EICDMN CC[C@@H]([NH2+]CCC[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000825143734 1048041858 /nfs/dbraw/zinc/04/18/58/1048041858.db2.gz IHTQFAYJOIUPPH-SWLSCSKDSA-N 0 1 331.378 4.268 20 10 EICDMN Cc1cc(Cl)cc([C@H](C)NCc2nc3cc(F)ccc3n2C)c1O ZINC000808707339 1048053014 /nfs/dbraw/zinc/05/30/14/1048053014.db2.gz MDCCRVKOBYVUGQ-NSHDSACASA-N 0 1 347.821 4.231 20 10 EICDMN CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000808761932 1048090572 /nfs/dbraw/zinc/09/05/72/1048090572.db2.gz VACROGMVCFKRBN-IBGZPJMESA-N 0 1 345.414 4.326 20 10 EICDMN CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000808761932 1048090586 /nfs/dbraw/zinc/09/05/86/1048090586.db2.gz VACROGMVCFKRBN-IBGZPJMESA-N 0 1 345.414 4.326 20 10 EICDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000809728630 1048476267 /nfs/dbraw/zinc/47/62/67/1048476267.db2.gz DETIQTBOZQIMPE-MRXNPFEDSA-N 0 1 347.256 4.195 20 10 EICDMN [O-]c1c(Br)cccc1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000809688817 1048479001 /nfs/dbraw/zinc/47/90/01/1048479001.db2.gz PQGYORSLSGJQMY-UHFFFAOYSA-N 0 1 334.213 4.037 20 10 EICDMN [O-]c1ccc(Br)cc1C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000809713411 1048491762 /nfs/dbraw/zinc/49/17/62/1048491762.db2.gz PJQVDPLHUCSUDG-OWOJBTEDSA-N 0 1 336.204 4.097 20 10 EICDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1sccc1Cl ZINC000809713164 1048492220 /nfs/dbraw/zinc/49/22/20/1048492220.db2.gz KJBJAPMOXGGUFX-UHFFFAOYSA-N 0 1 332.650 4.159 20 10 EICDMN Cc1noc([C@@H]2CCCCN2Cc2cc(-c3ccccc3)ccc2O)n1 ZINC000809719021 1048495992 /nfs/dbraw/zinc/49/59/92/1048495992.db2.gz VBKJALDKBFTSGF-IBGZPJMESA-N 0 1 349.434 4.478 20 10 EICDMN CCN(Cc1ccncc1)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809726362 1048499086 /nfs/dbraw/zinc/49/90/86/1048499086.db2.gz HIRRAHNNOPQHLK-UHFFFAOYSA-N 0 1 337.389 4.189 20 10 EICDMN CCN(CC)c1ccc(CN2CCC[C@@H]2c2c(C)n[nH]c2C)cc1F ZINC000809768567 1048502769 /nfs/dbraw/zinc/50/27/69/1048502769.db2.gz OUXQDVCUZXJRPX-LJQANCHMSA-N 0 1 344.478 4.349 20 10 EICDMN CC[C@H](c1ccncc1)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000809766024 1048526303 /nfs/dbraw/zinc/52/63/03/1048526303.db2.gz SJKLGFPAZVRBMB-OAHLLOKOSA-N 0 1 335.245 4.133 20 10 EICDMN CC[C@H](c1ccncc1)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000809766024 1048526313 /nfs/dbraw/zinc/52/63/13/1048526313.db2.gz SJKLGFPAZVRBMB-OAHLLOKOSA-N 0 1 335.245 4.133 20 10 EICDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000844933623 1048552072 /nfs/dbraw/zinc/55/20/72/1048552072.db2.gz GSGZHLILPNASKY-CXAGYDPISA-N 0 1 347.499 4.425 20 10 EICDMN CC[C@@H]([NH2+][C@H](C)Cc1ccncc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810221129 1048688512 /nfs/dbraw/zinc/68/85/12/1048688512.db2.gz APMAXSRQSXMPNB-MLGOLLRUSA-N 0 1 338.373 4.478 20 10 EICDMN COC[C@H](NCc1ccc(N(C)C)c(C)c1)c1cccc(Cl)c1 ZINC000810225430 1048694674 /nfs/dbraw/zinc/69/46/74/1048694674.db2.gz CZMJIUJVAGJHEO-SFHVURJKSA-N 0 1 332.875 4.192 20 10 EICDMN CC[C@@H]([NH2+]CCc1csc(C)n1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209651 1048706673 /nfs/dbraw/zinc/70/66/73/1048706673.db2.gz HMWMXHYQCPZHCZ-CQSZACIVSA-N 0 1 344.402 4.459 20 10 EICDMN CC[C@H]([NH2+][C@H](CO)c1ccsc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236612 1048718125 /nfs/dbraw/zinc/71/81/25/1048718125.db2.gz JBKKEZQQBDYJEY-UONOGXRCSA-N 0 1 345.386 4.247 20 10 EICDMN CC[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000810247613 1048727188 /nfs/dbraw/zinc/72/71/88/1048727188.db2.gz KUMXUHDPXFZYAE-WSTZPKSXSA-N 0 1 345.870 4.253 20 10 EICDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000816520032 1048820621 /nfs/dbraw/zinc/82/06/21/1048820621.db2.gz DLLGQXJFNFVJJR-UHFFFAOYSA-N 0 1 325.733 4.349 20 10 EICDMN [O-]c1c(C[NH2+]CCCOc2ccccc2F)ccc2ccccc21 ZINC000816530854 1048826222 /nfs/dbraw/zinc/82/62/22/1048826222.db2.gz XVMIXSJXLIATHA-UHFFFAOYSA-N 0 1 325.383 4.243 20 10 EICDMN COc1ccc(OCCC[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816540464 1048827313 /nfs/dbraw/zinc/82/73/13/1048827313.db2.gz MHSWCFXKYQYJBV-UHFFFAOYSA-N 0 1 337.419 4.113 20 10 EICDMN C[C@@H](O)C[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])c1ccccc1 ZINC000816556946 1048833494 /nfs/dbraw/zinc/83/34/94/1048833494.db2.gz YVELMJFNNCGTBR-UZLBHIALSA-N 0 1 335.447 4.190 20 10 EICDMN [O-]c1c(C[NH2+]CCCSc2nccs2)ccc2ccccc21 ZINC000816552933 1048834183 /nfs/dbraw/zinc/83/41/83/1048834183.db2.gz BTBUMBHSONPDGM-UHFFFAOYSA-N 0 1 330.478 4.274 20 10 EICDMN C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816573761 1048838431 /nfs/dbraw/zinc/83/84/31/1048838431.db2.gz JWMLIZPMYCLYOI-WCBMZHEXSA-N 0 1 325.733 4.348 20 10 EICDMN [O-]c1c(C[NH+]2CCC(O)(c3ccccc3)CC2)ccc2ccccc21 ZINC000816571143 1048839298 /nfs/dbraw/zinc/83/92/98/1048839298.db2.gz SYVXSQUVZFIZOT-UHFFFAOYSA-N 0 1 333.431 4.029 20 10 EICDMN CC[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1cc(Cl)ccc1[O-] ZINC000846201293 1048841388 /nfs/dbraw/zinc/84/13/88/1048841388.db2.gz NKGREZQFQLNSII-SUMDDJOVSA-N 0 1 346.858 4.402 20 10 EICDMN CC1(C)CN(Cc2cccc(Br)c2O)[C@H]1c1ccncc1 ZINC000816621820 1048845516 /nfs/dbraw/zinc/84/55/16/1048845516.db2.gz QDTVGNFVMZPVJD-INIZCTEOSA-N 0 1 347.256 4.133 20 10 EICDMN CC[C@H]([NH2+]Cc1cc(C)nc(C)c1)c1cc(Br)ccc1[O-] ZINC000817589547 1049018185 /nfs/dbraw/zinc/01/81/85/1049018185.db2.gz OEXDFIZEEPXUJX-INIZCTEOSA-N 0 1 349.272 4.407 20 10 EICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000811518025 1049104228 /nfs/dbraw/zinc/10/42/28/1049104228.db2.gz DKEIITWTMUDZTA-GDBMZVCRSA-N 0 1 342.266 4.233 20 10 EICDMN CC[C@H]([NH2+]C[C@@](C)(OC)C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000812735231 1049554221 /nfs/dbraw/zinc/55/42/21/1049554221.db2.gz YFBDQLFGDWJAJD-GOEBONIOSA-N 0 1 331.378 4.267 20 10 EICDMN C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1cc(Cl)ccc1[O-] ZINC000812736911 1049557561 /nfs/dbraw/zinc/55/75/61/1049557561.db2.gz PYOXHWWSKPLXRN-KBPBESRZSA-N 0 1 348.849 4.362 20 10 EICDMN CCOCc1cc(CNCc2ccc3ccccc3n2)ccc1OC ZINC000747854593 1049765521 /nfs/dbraw/zinc/76/55/21/1049765521.db2.gz QFOOJIFGXSOLFN-UHFFFAOYSA-N 0 1 336.435 4.070 20 10 EICDMN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000822525567 1049767384 /nfs/dbraw/zinc/76/73/84/1049767384.db2.gz IMKBIEGXHFZFIU-HZPDHXFCSA-N 0 1 338.234 4.007 20 10 EICDMN CC[N@H+](Cc1ccccc1[O-])C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171929453 1049829365 /nfs/dbraw/zinc/82/93/65/1049829365.db2.gz GQQHHDDQVHPAHM-UHFFFAOYSA-N 0 1 333.472 4.115 20 10 EICDMN CC[N@@H+](Cc1ccccc1[O-])C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171929453 1049829366 /nfs/dbraw/zinc/82/93/66/1049829366.db2.gz GQQHHDDQVHPAHM-UHFFFAOYSA-N 0 1 333.472 4.115 20 10 EICDMN COc1ccc(O)c(C[N@@H+](C)[C@H](C)c2sc(C(C)C)nc2C)c1 ZINC000180617767 1049920651 /nfs/dbraw/zinc/92/06/51/1049920651.db2.gz PXORQHGAPIDWID-CYBMUJFWSA-N 0 1 334.485 4.482 20 10 EICDMN COc1ccc(CNCc2ccc3c(c2)CCCN3C)c(Cl)c1 ZINC001177528534 1050240599 /nfs/dbraw/zinc/24/05/99/1050240599.db2.gz BWFNOKIBNYJXOI-UHFFFAOYSA-N 0 1 330.859 4.021 20 10 EICDMN C[N@H+](CC/C=C/c1cccnc1)Cc1cc(Br)ccc1[O-] ZINC001203650396 1050454516 /nfs/dbraw/zinc/45/45/16/1050454516.db2.gz RXFJNSTZKCWOHJ-GORDUTHDSA-N 0 1 347.256 4.085 20 10 EICDMN C[N@@H+](CC/C=C/c1cccnc1)Cc1cc(Br)ccc1[O-] ZINC001203650396 1050454520 /nfs/dbraw/zinc/45/45/20/1050454520.db2.gz RXFJNSTZKCWOHJ-GORDUTHDSA-N 0 1 347.256 4.085 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC001178709910 1050537906 /nfs/dbraw/zinc/53/79/06/1050537906.db2.gz OCCXNBVSNIXJAT-UHFFFAOYSA-N 0 1 332.806 4.388 20 10 EICDMN CCc1ccc(C)nc1NCc1cc(C)cc(Br)c1O ZINC001179141099 1050640310 /nfs/dbraw/zinc/64/03/10/1050640310.db2.gz WLVWRBLBURZZBS-UHFFFAOYSA-N 0 1 335.245 4.341 20 10 EICDMN CC(C)(C)C(F)(F)CNCc1cc(Br)cc(F)c1O ZINC001179222345 1050651247 /nfs/dbraw/zinc/65/12/47/1050651247.db2.gz HDYZMGAZGZZGAJ-UHFFFAOYSA-N 0 1 340.183 4.065 20 10 EICDMN CC(C)(C)C(F)(F)C[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC001179222345 1050651253 /nfs/dbraw/zinc/65/12/53/1050651253.db2.gz HDYZMGAZGZZGAJ-UHFFFAOYSA-N 0 1 340.183 4.065 20 10 EICDMN COc1cccc(C2(NCc3cc(F)c(N(C)C)cc3F)CCC2)c1 ZINC001179228937 1050655168 /nfs/dbraw/zinc/65/51/68/1050655168.db2.gz WWAPKYUKHRYQGG-UHFFFAOYSA-N 0 1 346.421 4.208 20 10 EICDMN COc1cccc(CN(C)Cc2ccc(N3CCCCC3)cc2)c1F ZINC001179845357 1050795436 /nfs/dbraw/zinc/79/54/36/1050795436.db2.gz QOVZWAZAPRKIHQ-UHFFFAOYSA-N 0 1 342.458 4.457 20 10 EICDMN CCC[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1COc2ccccc2O1 ZINC001180353382 1050965299 /nfs/dbraw/zinc/96/52/99/1050965299.db2.gz FHAMCGMCHUJLBT-OAHLLOKOSA-N 0 1 347.842 4.098 20 10 EICDMN COc1cc(Cl)cc(CN2CC=C(c3ccc(F)cc3)CC2)c1O ZINC001180452504 1051005185 /nfs/dbraw/zinc/00/51/85/1051005185.db2.gz MCTRNFIMZDAHBH-UHFFFAOYSA-N 0 1 347.817 4.483 20 10 EICDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)c(Cl)c1 ZINC001181056517 1051138070 /nfs/dbraw/zinc/13/80/70/1051138070.db2.gz RQAQEPBIHHZIJR-HXUWFJFHSA-N 0 1 343.854 4.376 20 10 EICDMN Cc1cc([O-])c(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)c(Cl)c1 ZINC001181056517 1051138081 /nfs/dbraw/zinc/13/80/81/1051138081.db2.gz RQAQEPBIHHZIJR-HXUWFJFHSA-N 0 1 343.854 4.376 20 10 EICDMN [O-]c1c(F)cc(F)cc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC001181600557 1051257771 /nfs/dbraw/zinc/25/77/71/1051257771.db2.gz MPPIPIJMNYYQQC-ZHALLVOQSA-N 0 1 329.390 4.439 20 10 EICDMN CN(Cc1ccccc1O)Cc1cc(Cl)ccc1OCC1CC1 ZINC001191681852 1051506642 /nfs/dbraw/zinc/50/66/42/1051506642.db2.gz JDCXSRKCXCSCPT-UHFFFAOYSA-N 0 1 331.843 4.466 20 10 EICDMN CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1)c1cc(Cl)ccc1[O-] ZINC000775483559 1051553019 /nfs/dbraw/zinc/55/30/19/1051553019.db2.gz YBVMWBZTDPBMLK-OAHLLOKOSA-N 0 1 335.831 4.304 20 10 EICDMN CC[C@@H]([NH2+]Cc1ccc(NC(C)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000775484574 1051556057 /nfs/dbraw/zinc/55/60/57/1051556057.db2.gz FGKDHLXMKSNBQX-QGZVFWFLSA-N 0 1 332.831 4.245 20 10 EICDMN CC[C@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1cc(Cl)ccc1[O-] ZINC000775488872 1051570241 /nfs/dbraw/zinc/57/02/41/1051570241.db2.gz VVVWHUHNFXIZEV-JKSUJKDBSA-N 0 1 338.904 4.451 20 10 EICDMN CC[C@H]([NH2+]Cc1ccccc1OCCOC)c1cc(Cl)ccc1[O-] ZINC000775491758 1051590396 /nfs/dbraw/zinc/59/03/96/1051590396.db2.gz IXSIJYIMVJBQSV-KRWDZBQOSA-N 0 1 349.858 4.312 20 10 EICDMN CC[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000775498466 1051622072 /nfs/dbraw/zinc/62/20/72/1051622072.db2.gz LBCXYTTWKIEWBE-CQSZACIVSA-N 0 1 342.867 4.001 20 10 EICDMN CC[C@H](NCc1nccn1CC(F)(F)F)c1cc(Cl)ccc1O ZINC000775499382 1051626421 /nfs/dbraw/zinc/62/64/21/1051626421.db2.gz RSWDPLYHCHYOSY-LBPRGKRZSA-N 0 1 347.768 4.045 20 10 EICDMN CC[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000775499382 1051626428 /nfs/dbraw/zinc/62/64/28/1051626428.db2.gz RSWDPLYHCHYOSY-LBPRGKRZSA-N 0 1 347.768 4.045 20 10 EICDMN CC[C@@H]([NH2+]C[C@H](C)c1ccncc1)c1cc(Br)ccc1[O-] ZINC000775513462 1051651149 /nfs/dbraw/zinc/65/11/49/1051651149.db2.gz ZLRPZDOXBFZSHP-BLLLJJGKSA-N 0 1 349.272 4.394 20 10 EICDMN CC[C@H]([NH2+][C@@H]1CCC[C@H]([S@](=O)CC)C1)c1cc(Cl)ccc1[O-] ZINC000775513476 1051651455 /nfs/dbraw/zinc/65/14/55/1051651455.db2.gz ZQEAVCGDRNCCBO-JLXHKYTDSA-N 0 1 343.920 4.166 20 10 EICDMN CC[C@H](NCc1csc([C@@H](C)OC)n1)c1cc(Cl)ccc1O ZINC000775511435 1051657774 /nfs/dbraw/zinc/65/77/74/1051657774.db2.gz FPPHGSIVHOPUTA-YGRLFVJLSA-N 0 1 340.876 4.450 20 10 EICDMN CC[C@H]([NH2+]C[C@H]1OCCc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000775521109 1051679056 /nfs/dbraw/zinc/67/90/56/1051679056.db2.gz QQRFZLGEBQTAAF-PKOBYXMFSA-N 0 1 331.843 4.400 20 10 EICDMN CC[C@H]([NH2+]CCOCc1ccc(OC)cc1)c1cc(Cl)ccc1[O-] ZINC000775519120 1051682425 /nfs/dbraw/zinc/68/24/25/1051682425.db2.gz IOICFZJSXJLADM-SFHVURJKSA-N 0 1 349.858 4.312 20 10 EICDMN CC[C@H]([NH2+][C@@H](CO)c1sccc1C)c1cc(Cl)ccc1[O-] ZINC000775526840 1051719653 /nfs/dbraw/zinc/71/96/53/1051719653.db2.gz MBRPBSHZOAVYES-KBPBESRZSA-N 0 1 325.861 4.190 20 10 EICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001203574233 1051879039 /nfs/dbraw/zinc/87/90/39/1051879039.db2.gz QPTVXVKGNFEFAV-LLVKDONJSA-N 0 1 328.161 4.268 20 10 EICDMN C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc2ccccc2c1[O-] ZINC000184944599 1052330431 /nfs/dbraw/zinc/33/04/31/1052330431.db2.gz UECYBRDNEVVYBT-YJYMSZOUSA-N 0 1 325.383 4.069 20 10 EICDMN C[C@@H]([NH2+]CCc1cn2ccccc2n1)c1ccc2ccccc2c1[O-] ZINC000184969782 1052334762 /nfs/dbraw/zinc/33/47/62/1052334762.db2.gz BZDNJOHIPHZOSI-OAHLLOKOSA-N 0 1 331.419 4.086 20 10 EICDMN C[C@H]([NH2+]CCCOCC1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000185520264 1052622782 /nfs/dbraw/zinc/62/27/82/1052622782.db2.gz UJXJLCPWULWVEA-INIZCTEOSA-N 0 1 343.467 4.029 20 10 EICDMN COc1cc(CNCc2cc(C(C)C)no2)c(O)c(C(C)(C)C)c1 ZINC000850137086 1053078249 /nfs/dbraw/zinc/07/82/49/1053078249.db2.gz JVSVTOMFBZSYLY-UHFFFAOYSA-N 0 1 332.444 4.100 20 10 EICDMN CCN(CC)c1ccc(CN[C@@H](COC)c2cccc(OC)c2)cc1 ZINC000850362756 1053136469 /nfs/dbraw/zinc/13/64/69/1053136469.db2.gz SATYTDYMQJZMAO-NRFANRHFSA-N 0 1 342.483 4.019 20 10 EICDMN Cc1cc(C)n(-c2ccccc2NCc2ccc(F)c(F)c2O)n1 ZINC000864029983 1053166603 /nfs/dbraw/zinc/16/66/03/1053166603.db2.gz GPXVNWSVWSYADX-UHFFFAOYSA-N 0 1 329.350 4.085 20 10 EICDMN CCOc1ccc(NCc2ccc(F)c(F)c2O)c2ncccc12 ZINC000864033968 1053173897 /nfs/dbraw/zinc/17/38/97/1053173897.db2.gz PGBBWHYHGSZXND-UHFFFAOYSA-N 0 1 330.334 4.229 20 10 EICDMN Cc1ncn(-c2ccc(NCc3ccc(F)c(F)c3O)cc2)c1C ZINC000864038678 1053180840 /nfs/dbraw/zinc/18/08/40/1053180840.db2.gz QZRYCJRDALYGDC-UHFFFAOYSA-N 0 1 329.350 4.085 20 10 EICDMN C[C@@H](C[NH2+][C@@H](C)c1cc(Br)ccc1[O-])c1ccccn1 ZINC000850483512 1053257560 /nfs/dbraw/zinc/25/75/60/1053257560.db2.gz YNNHCXAGXFBXRY-RYUDHWBXSA-N 0 1 335.245 4.004 20 10 EICDMN COCc1cnc(CN(Cc2ccccc2O)C2CCCCC2)s1 ZINC000775638038 1053272837 /nfs/dbraw/zinc/27/28/37/1053272837.db2.gz WYYZWSJGEGVSMB-UHFFFAOYSA-N 0 1 346.496 4.330 20 10 EICDMN CC[C@H]([NH2+][C@H](COC)c1cccc(OC)c1)c1cc(Cl)ccc1[O-] ZINC000850515535 1053273917 /nfs/dbraw/zinc/27/39/17/1053273917.db2.gz YBLPFHBPBXYINI-ZWKOTPCHSA-N 0 1 349.858 4.483 20 10 EICDMN CC[C@@H]([NH2+]Cc1cc(COC)cs1)c1cc(Cl)ccc1[O-] ZINC000850532186 1053295907 /nfs/dbraw/zinc/29/59/07/1053295907.db2.gz KJIPFKIRRMZTAQ-OAHLLOKOSA-N 0 1 325.861 4.494 20 10 EICDMN C[C@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1ccc(Br)cc1[O-] ZINC000850542796 1053303496 /nfs/dbraw/zinc/30/34/96/1053303496.db2.gz CCVAFDCQFWMEDC-MGPLVRAMSA-N 0 1 348.240 4.198 20 10 EICDMN CC[C@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1cc(Cl)ccc1[O-] ZINC000850549126 1053307254 /nfs/dbraw/zinc/30/72/54/1053307254.db2.gz FHCKQCJQZIMLEW-INIZCTEOSA-N 0 1 333.863 4.288 20 10 EICDMN CC(C)[C@@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC000850555218 1053312674 /nfs/dbraw/zinc/31/26/74/1053312674.db2.gz NQPQGBRNFQLZRT-FASAQXTFSA-N 0 1 333.859 4.454 20 10 EICDMN C[C@H](NCc1cc(F)ccc1OC(F)F)c1ccc(N(C)C)cc1 ZINC000850570633 1053323718 /nfs/dbraw/zinc/32/37/18/1053323718.db2.gz YGPKKMTXJZAJNU-LBPRGKRZSA-N 0 1 338.373 4.344 20 10 EICDMN CC[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000850570199 1053323766 /nfs/dbraw/zinc/32/37/66/1053323766.db2.gz FSKZVWSTZHXMFH-TZMCWYRMSA-N 0 1 331.378 4.267 20 10 EICDMN CC(C)N(Cc1nc2c(s1)CCC2)Cc1ccc(N(C)C)cc1 ZINC000775651423 1053381893 /nfs/dbraw/zinc/38/18/93/1053381893.db2.gz NHOUCJYDUKGGKH-UHFFFAOYSA-N 0 1 329.513 4.108 20 10 EICDMN CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(Cl)c1[O-] ZINC000775652480 1053399599 /nfs/dbraw/zinc/39/95/99/1053399599.db2.gz ZZLNYIYCTDOVRA-UHFFFAOYSA-N 0 1 334.803 4.364 20 10 EICDMN Oc1c(Cl)cc(Cl)cc1CNc1nnc([C@H]2CCCO2)s1 ZINC000865296020 1053471969 /nfs/dbraw/zinc/47/19/69/1053471969.db2.gz QERLCNOESPJLQR-SNVBAGLBSA-N 0 1 346.239 4.014 20 10 EICDMN C[C@H](N[C@H]1CCc2ccccc2-n2ccnc21)c1ccc(N(C)C)cc1 ZINC000853240807 1053658215 /nfs/dbraw/zinc/65/82/15/1053658215.db2.gz ILHQNPKIPXUVPS-JXFKEZNVSA-N 0 1 346.478 4.276 20 10 EICDMN CCC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000775715616 1053671246 /nfs/dbraw/zinc/67/12/46/1053671246.db2.gz HYNOPDPPZLXMFZ-IAOVAPTHSA-N 0 1 341.854 4.210 20 10 EICDMN Cc1cc([C@@H]2C[N@H+](Cc3cccc(Cl)c3[O-])CCO2)ccc1F ZINC000775717176 1053672686 /nfs/dbraw/zinc/67/26/86/1053672686.db2.gz NDPJBYFPFJIYFU-KRWDZBQOSA-N 0 1 335.806 4.067 20 10 EICDMN Cc1cc([C@@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])CCO2)ccc1F ZINC000775717176 1053672692 /nfs/dbraw/zinc/67/26/92/1053672692.db2.gz NDPJBYFPFJIYFU-KRWDZBQOSA-N 0 1 335.806 4.067 20 10 EICDMN Cc1cc([C@@H]2CN(Cc3cccc(Cl)c3O)CCO2)ccc1F ZINC000775717176 1053672700 /nfs/dbraw/zinc/67/27/00/1053672700.db2.gz NDPJBYFPFJIYFU-KRWDZBQOSA-N 0 1 335.806 4.067 20 10 EICDMN Cc1ncc([C@H](C)[NH2+][C@H](C)c2cc(Br)ccc2[O-])s1 ZINC000866455471 1053738241 /nfs/dbraw/zinc/73/82/41/1053738241.db2.gz LYVYMCOUQKLQED-BDAKNGLRSA-N 0 1 341.274 4.331 20 10 EICDMN CC[C@H]([NH2+]Cc1ccnc(F)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000866475343 1053744286 /nfs/dbraw/zinc/74/42/86/1053744286.db2.gz XBFJICYMMXZEAR-ZDUSSCGKSA-N 0 1 328.309 4.186 20 10 EICDMN C[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1ccc(Br)cc1[O-] ZINC000854226854 1053782656 /nfs/dbraw/zinc/78/26/56/1053782656.db2.gz ROJMRPVLXNTDSK-QFYYESIMSA-N 0 1 347.256 4.075 20 10 EICDMN O=S(=O)(Nc1ccc(O)cc1)c1csc2ccc(Cl)cc21 ZINC000776745406 1053819669 /nfs/dbraw/zinc/81/96/69/1053819669.db2.gz WQNCRXPZTFTXNS-UHFFFAOYSA-N 0 1 339.825 4.061 20 10 EICDMN C[C@H](N[C@@H](C)c1cc(F)ccc1F)c1ccc(N2CCOCC2)cc1 ZINC000112536860 1053837614 /nfs/dbraw/zinc/83/76/14/1053837614.db2.gz GPYDEVFDPKBDJH-GJZGRUSLSA-N 0 1 346.421 4.213 20 10 EICDMN O=S(=O)(Nc1ccoc1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197163175 1053845881 /nfs/dbraw/zinc/84/58/81/1053845881.db2.gz ZTAYFCUPURVLKT-ISLYRVAYSA-N 0 1 327.365 4.496 20 10 EICDMN Cc1csc(C2(NCc3ccc(N(C)C)c(F)c3)CCCC2)n1 ZINC000113342763 1053924906 /nfs/dbraw/zinc/92/49/06/1053924906.db2.gz XYKIYPOHMRFFMW-UHFFFAOYSA-N 0 1 333.476 4.216 20 10 EICDMN C[C@H](NCc1cc(-c2ccc(F)cc2)no1)c1ccc(N(C)C)cc1 ZINC000775835777 1054117963 /nfs/dbraw/zinc/11/79/63/1054117963.db2.gz JEOKCWGXMYKHAW-AWEZNQCLSA-N 0 1 339.414 4.398 20 10 EICDMN C[C@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000775834528 1054120897 /nfs/dbraw/zinc/12/08/97/1054120897.db2.gz URCQOJXZBUGRSC-LBPRGKRZSA-N 0 1 333.819 4.165 20 10 EICDMN [O-]c1cccc2c(NCc3cccc(Br)c3O)cc[nH+]c12 ZINC000795174939 1054212554 /nfs/dbraw/zinc/21/25/54/1054212554.db2.gz YVGKTFXRNDBUSV-UHFFFAOYSA-N 0 1 345.196 4.021 20 10 EICDMN C[C@H](NCc1ccc(N2CCCC2)cc1)c1nc2c(s1)CCCC2 ZINC000172474142 1054436412 /nfs/dbraw/zinc/43/64/12/1054436412.db2.gz OEIZQVBKFPFFEQ-HNNXBMFYSA-N 0 1 341.524 4.473 20 10 EICDMN CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825635286 1054470567 /nfs/dbraw/zinc/47/05/67/1054470567.db2.gz YTUFIVPXGGSQIF-LLVKDONJSA-N 0 1 340.183 4.221 20 10 EICDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)c1[O-] ZINC000776032701 1054491065 /nfs/dbraw/zinc/49/10/65/1054491065.db2.gz ZUCLCXWMIGYHCJ-LJQANCHMSA-N 0 1 345.389 4.422 20 10 EICDMN CC[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000858448814 1054492565 /nfs/dbraw/zinc/49/25/65/1054492565.db2.gz GOQDMNXQDXLATN-GXTWGEPZSA-N 0 1 347.768 4.086 20 10 EICDMN Cc1cc([C@@H](C)NCc2cc(C)n(-c3cccc(C)c3)c2C)n(C)n1 ZINC000858542923 1054511641 /nfs/dbraw/zinc/51/16/41/1054511641.db2.gz NWFBUJZRDOJCGC-QGZVFWFLSA-N 0 1 336.483 4.295 20 10 EICDMN Cc1cc([O-])c(C[NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)c(Cl)c1 ZINC001201550126 1054839251 /nfs/dbraw/zinc/83/92/51/1054839251.db2.gz ZCCYLDDVRVKQLJ-KRWDZBQOSA-N 0 1 347.886 4.246 20 10 EICDMN CN(C)c1ccc(CN[C@@H]2CCCOc3c(F)cccc32)cc1F ZINC001201735730 1054907293 /nfs/dbraw/zinc/90/72/93/1054907293.db2.gz WFEZSUMAUGZTNR-QGZVFWFLSA-N 0 1 332.394 4.034 20 10 EICDMN Cc1cc([O-])c(C[NH2+][C@@H](C)C[C@H](O)c2ccc(F)cc2)c(Cl)c1 ZINC001201788161 1054921123 /nfs/dbraw/zinc/92/11/23/1054921123.db2.gz VWMPWTVBVDZNNE-SJCJKPOMSA-N 0 1 337.822 4.095 20 10 EICDMN Cc1cc(F)cc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC001201828006 1054925591 /nfs/dbraw/zinc/92/55/91/1054925591.db2.gz CJQSMPOGQVFQRP-UHFFFAOYSA-N 0 1 343.185 4.468 20 10 EICDMN C[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000876656246 1054945740 /nfs/dbraw/zinc/94/57/40/1054945740.db2.gz ISNSZJDULUIDLU-OXQOHEQNSA-N 0 1 347.405 4.270 20 10 EICDMN Cc1cnn(-c2ccncc2NCc2ccc(N3CCCCC3)cc2)c1 ZINC000776251894 1055057163 /nfs/dbraw/zinc/05/71/63/1055057163.db2.gz AXCMBAKGXKSFDM-UHFFFAOYSA-N 0 1 347.466 4.178 20 10 EICDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCCC(F)(F)CC2)c1 ZINC000862467701 1055072849 /nfs/dbraw/zinc/07/28/49/1055072849.db2.gz ZGZUZXIMWPDZCA-UHFFFAOYSA-N 0 1 334.204 4.084 20 10 EICDMN Cc1cc([O-])c(C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)cc1Cl ZINC000825987108 1055099305 /nfs/dbraw/zinc/09/93/05/1055099305.db2.gz SRPLGLNTUPPXLW-APPDUMDISA-N 0 1 337.872 4.208 20 10 EICDMN C[C@@H]([NH2+]CCc1nn(C)c2ccccc12)c1ccc2ccccc2c1[O-] ZINC000186485807 1056563864 /nfs/dbraw/zinc/56/38/64/1056563864.db2.gz PNHMEKIWFOLTQY-OAHLLOKOSA-N 0 1 345.446 4.325 20 10 EICDMN Cc1ccc(N2CCC[C@H]([NH2+]Cc3c([O-])cccc3Cl)C2)cc1 ZINC000742380172 1058604434 /nfs/dbraw/zinc/60/44/34/1058604434.db2.gz LVJBEDRDUUTOKZ-HNNXBMFYSA-N 0 1 330.859 4.113 20 10 EICDMN CC[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841759540 1032552032 /nfs/dbraw/zinc/55/20/32/1032552032.db2.gz ZMRPQLXZSMYAMU-MWLCHTKSSA-N 0 1 325.758 4.054 20 10 EICDMN C[C@H](NCc1nc2cccc(Cl)c2n1C)c1ccc(N(C)C)cc1 ZINC000274777240 1019446068 /nfs/dbraw/zinc/44/60/68/1019446068.db2.gz OGGAPRHLUHRTQN-ZDUSSCGKSA-N 0 1 342.874 4.144 20 10 EICDMN CC[C@H](N[C@@H](CC)c1ccc(C)cc1O)c1nnc2n1CCCCC2 ZINC000279940464 1033007410 /nfs/dbraw/zinc/00/74/10/1033007410.db2.gz BFDWXUQYCIMNLW-IRXDYDNUSA-N 0 1 342.487 4.211 20 10 EICDMN COc1ccc(O)c([C@@H](C)NCc2csc(CCC(C)C)n2)c1 ZINC000182447321 1022811335 /nfs/dbraw/zinc/81/13/35/1022811335.db2.gz GPUXSPBRPZZKOS-CYBMUJFWSA-N 0 1 334.485 4.297 20 10 EICDMN CC[C@@H](NCc1ccn(-c2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000163189058 1022816318 /nfs/dbraw/zinc/81/63/18/1022816318.db2.gz WZQMOBOPAKSZFM-OAQYLSRUSA-N 0 1 334.467 4.179 20 10 EICDMN Oc1ccccc1CN(Cc1nccn1C1CC1)C1CCCCC1 ZINC000891435990 1023410601 /nfs/dbraw/zinc/41/06/01/1023410601.db2.gz JXYIWZMQJUZZSS-UHFFFAOYSA-N 0 1 325.456 4.259 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000377761420 1023744030 /nfs/dbraw/zinc/74/40/30/1023744030.db2.gz LNYSXPQGQXGHBH-IBGZPJMESA-N 0 1 343.854 4.229 20 10 EICDMN CS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(Br)ccc2[O-])C1 ZINC000756612302 1023780887 /nfs/dbraw/zinc/78/08/87/1023780887.db2.gz 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ZINC000840859099 1029628172 /nfs/dbraw/zinc/62/81/72/1029628172.db2.gz GLNCIXWWGAQREG-MMPTUQATSA-N 0 1 342.277 4.009 20 10 EICDMN C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000191854553 1030660834 /nfs/dbraw/zinc/66/08/34/1030660834.db2.gz BCQIZWYNEDSNTN-WTANOLMUSA-N 0 1 331.843 4.474 20 10 EICDMN CC[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000527924172 1030918064 /nfs/dbraw/zinc/91/80/64/1030918064.db2.gz HJSRLAAQNMJIJA-SWLSCSKDSA-N 0 1 331.378 4.268 20 10 EICDMN COc1cccc([C@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])OC)c1 ZINC000527932767 1030975326 /nfs/dbraw/zinc/97/53/26/1030975326.db2.gz YUDGCGNRUHNCQR-SGTLLEGYSA-N 0 1 335.831 4.093 20 10 EICDMN COc1ccc([C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C2CC2)cn1 ZINC000528042630 1031058057 /nfs/dbraw/zinc/05/80/57/1031058057.db2.gz GDCVFNYAGCOAGO-BBATYDOGSA-N 0 1 332.831 4.251 20 10 EICDMN COc1ccc(O)c([C@@H](C)NCc2cc(F)c(Cl)cc2F)c1 ZINC000278787189 1031294760 /nfs/dbraw/zinc/29/47/60/1031294760.db2.gz 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ZINC000273549126 1037504887 /nfs/dbraw/zinc/50/48/87/1037504887.db2.gz FPISRHIISAPGJW-RYUDHWBXSA-N 0 1 327.346 4.163 20 10 EICDMN C[C@H]([NH2+][C@@H]1CCc2c1cccc2O)c1ccc(Br)cc1[O-] ZINC000273612124 1037523081 /nfs/dbraw/zinc/52/30/81/1037523081.db2.gz WHPKBZPZGHAOID-ZUZCIYMTSA-N 0 1 348.240 4.198 20 10 EICDMN CC[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1cc(Br)ccc1[O-] ZINC000159990359 1040302139 /nfs/dbraw/zinc/30/21/39/1040302139.db2.gz SQBVGTBXKBYEAI-TZMCWYRMSA-N 0 1 342.277 4.153 20 10 EICDMN COC[C@H](NCc1c(C)c2ccccc2n1C)c1ccc(F)c(F)c1 ZINC000479434935 1040341336 /nfs/dbraw/zinc/34/13/36/1040341336.db2.gz FIBKWJAIMLLEGZ-SFHVURJKSA-N 0 1 344.405 4.242 20 10 EICDMN COc1ccc([C@H](C)NCc2c(C)c3ccccc3n2C)c(F)c1 ZINC000479441431 1040349179 /nfs/dbraw/zinc/34/91/79/1040349179.db2.gz VWOWFJAPMRUTIT-AWEZNQCLSA-N 0 1 326.415 4.485 20 10 EICDMN C[C@@H]([NH2+][C@H](c1ccccn1)C1CC1)c1ccc(Br)cc1[O-] ZINC000903334546 1041015204 /nfs/dbraw/zinc/01/52/04/1041015204.db2.gz BMTKULGIQTUMQK-DIFFPNOSSA-N 0 1 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CC(=O)[C@@H](C)CCCCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840002 1047511556 /nfs/dbraw/zinc/51/15/56/1047511556.db2.gz PCHRYBCZIKCEDX-JTQLQIEISA-N 0 1 346.254 4.101 20 10 EICDMN CC[C@H](OC1CCCC1)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807841278 1047515493 /nfs/dbraw/zinc/51/54/93/1047515493.db2.gz WWVRIKBEIOIMBQ-AWEZNQCLSA-N 0 1 346.254 4.053 20 10 EICDMN Cc1ccc(F)c(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1F ZINC000807837306 1047522655 /nfs/dbraw/zinc/52/26/55/1047522655.db2.gz KVRLBEAXWPFNKN-UHFFFAOYSA-N 0 1 346.160 4.216 20 10 EICDMN Cc1cccc(CCC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807835998 1047522869 /nfs/dbraw/zinc/52/28/69/1047522869.db2.gz DTKWSHMBJSBPGO-UHFFFAOYSA-N 0 1 338.234 4.256 20 10 EICDMN CCc1ccsc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837480 1047523028 /nfs/dbraw/zinc/52/30/28/1047523028.db2.gz RMQQNYFQCQJUTB-UHFFFAOYSA-N 0 1 330.236 4.253 20 10 EICDMN CSc1ccsc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837017 1047524262 /nfs/dbraw/zinc/52/42/62/1047524262.db2.gz YIOWLQLAKFKZTE-UHFFFAOYSA-N 0 1 348.276 4.412 20 10 EICDMN CCCC(O)(CCC)CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838470 1047524726 /nfs/dbraw/zinc/52/47/26/1047524726.db2.gz SJZBOMQXLOYLIE-UHFFFAOYSA-N 0 1 348.270 4.037 20 10 EICDMN Oc1c(Cl)cc(Cl)cc1CNc1ncnc2ccc(F)cc21 ZINC000808088755 1047603946 /nfs/dbraw/zinc/60/39/46/1047603946.db2.gz BHWBNOVHDIWBBX-UHFFFAOYSA-N 0 1 338.169 4.393 20 10 EICDMN CCN(CC)c1ccc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1F ZINC000814170027 1047871968 /nfs/dbraw/zinc/87/19/68/1047871968.db2.gz QGGFVFHQKNIBCW-SJORKVTESA-N 0 1 326.406 4.149 20 10 EICDMN [O-]c1ccc2ccccc2c1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824696073 1047904472 /nfs/dbraw/zinc/90/44/72/1047904472.db2.gz HJFIINGNNCTGIW-DFQSSKMNSA-N 0 1 325.452 4.061 20 10 EICDMN [O-]c1ccc2ccccc2c1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824696073 1047904479 /nfs/dbraw/zinc/90/44/79/1047904479.db2.gz HJFIINGNNCTGIW-DFQSSKMNSA-N 0 1 325.452 4.061 20 10 EICDMN COC[C@H](NCc1ccc(N2CCCC2)cc1)c1cccc(Cl)c1 ZINC000808453980 1047919087 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C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809701476 1048466292 /nfs/dbraw/zinc/46/62/92/1048466292.db2.gz XWSHJZXDONPTGC-RISCZKNCSA-N 0 1 332.271 4.215 20 10 EICDMN CCN(CC)c1ccc(CN2CCC[C@@H]2c2ccncc2)cc1F ZINC000809729346 1048478146 /nfs/dbraw/zinc/47/81/46/1048478146.db2.gz SMAAUBPNNUYEAT-LJQANCHMSA-N 0 1 327.447 4.404 20 10 EICDMN CN(C)c1ccc(CN(Cc2ccco2)C[C@H]2CCC=CO2)cc1 ZINC000809731927 1048483925 /nfs/dbraw/zinc/48/39/25/1048483925.db2.gz XJTAMTCCZKXQPK-LJQANCHMSA-N 0 1 326.440 4.041 20 10 EICDMN CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000809765223 1048525376 /nfs/dbraw/zinc/52/53/76/1048525376.db2.gz LLRZPAXMDYMEHS-INIZCTEOSA-N 0 1 349.272 4.441 20 10 EICDMN COc1ccncc1CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000815630149 1048554185 /nfs/dbraw/zinc/55/41/85/1048554185.db2.gz XSOOAEIAVNBGMT-OAHLLOKOSA-N 0 1 343.446 4.070 20 10 EICDMN CC[C@@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000815643281 1048567614 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CC[C@@H]([NH2+]CC(C)(C)CCCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223069 1048690848 /nfs/dbraw/zinc/69/08/48/1048690848.db2.gz CCGONEAZSRTUSL-CQSZACIVSA-N 0 1 333.394 4.250 20 10 EICDMN CC[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223977 1048693044 /nfs/dbraw/zinc/69/30/44/1048693044.db2.gz PRPHONARGDQHHP-UXIGCNINSA-N 0 1 331.378 4.003 20 10 EICDMN CC[C@H]([NH2+]C[C@@H]1CCC[C@H]1OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810229709 1048698105 /nfs/dbraw/zinc/69/81/05/1048698105.db2.gz ICOFSNJQYOWUPX-HZUKXOBISA-N 0 1 331.378 4.267 20 10 EICDMN CC[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237380 1048719319 /nfs/dbraw/zinc/71/93/19/1048719319.db2.gz GUWCMJIVGUCZPD-UKRRQHHQSA-N 0 1 331.378 4.003 20 10 EICDMN CC[C@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236610 1048720407 /nfs/dbraw/zinc/72/04/07/1048720407.db2.gz JBKKEZQQBDYJEY-KBPBESRZSA-N 0 1 345.386 4.247 20 10 EICDMN CCN(Cc1ccc(N(C)C)cc1)Cc1cccnc1C(F)(F)F ZINC001144560576 1048728700 /nfs/dbraw/zinc/72/87/00/1048728700.db2.gz BUGWCYMQAUQUAK-UHFFFAOYSA-N 0 1 337.389 4.189 20 10 EICDMN CC1(C)C[C@H](NCc2ccc3c(c2)CCO3)c2cc(F)ccc2O1 ZINC000846052054 1048807395 /nfs/dbraw/zinc/80/73/95/1048807395.db2.gz JYBFBBCIASOJPH-KRWDZBQOSA-N 0 1 327.399 4.153 20 10 EICDMN CN(C)c1ccc(CN2CC[C@@]3(CC3(F)F)C2)c(C(F)(F)F)c1 ZINC000846117447 1048815111 /nfs/dbraw/zinc/81/51/11/1048815111.db2.gz PZGJMQGTMMXTBZ-CQSZACIVSA-N 0 1 334.332 4.003 20 10 EICDMN CCOC(=O)CC[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816521117 1048820402 /nfs/dbraw/zinc/82/04/02/1048820402.db2.gz HPECPAMAGAUALW-MRXNPFEDSA-N 0 1 341.451 4.101 20 10 EICDMN CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816521117 1048820404 /nfs/dbraw/zinc/82/04/04/1048820404.db2.gz HPECPAMAGAUALW-MRXNPFEDSA-N 0 1 341.451 4.101 20 10 EICDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000816516224 1048823071 /nfs/dbraw/zinc/82/30/71/1048823071.db2.gz YITVQYPPZYKKGB-OAHLLOKOSA-N 0 1 349.833 4.223 20 10 EICDMN COc1c2ccccc2oc1CN[C@H](C)c1cccc(OC)c1O ZINC000846163546 1048827558 /nfs/dbraw/zinc/82/75/58/1048827558.db2.gz BJFBIALOEPEUID-GFCCVEGCSA-N 0 1 327.380 4.006 20 10 EICDMN C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816548468 1048828276 /nfs/dbraw/zinc/82/82/76/1048828276.db2.gz ITLQYXGMRDCQHX-UWJYYQICSA-N 0 1 346.474 4.471 20 10 EICDMN C[C@H](N[C@@H](Cc1ccccc1)c1nccn1C)c1ccc(N(C)C)cc1 ZINC000846207358 1048832675 /nfs/dbraw/zinc/83/26/75/1048832675.db2.gz NBJZKPGKZISCHM-UWJYYQICSA-N 0 1 348.494 4.121 20 10 EICDMN CC(=O)N1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])c2ccccc21 ZINC000816559018 1048835672 /nfs/dbraw/zinc/83/56/72/1048835672.db2.gz UXLZEHNBCGXQHC-HXUWFJFHSA-N 0 1 346.430 4.133 20 10 EICDMN [O-]c1c(C[NH+]2CCC(Cc3cccnc3)CC2)ccc2ccccc21 ZINC000816565701 1048837728 /nfs/dbraw/zinc/83/77/28/1048837728.db2.gz YXYXIRRKWXSQSN-UHFFFAOYSA-N 0 1 332.447 4.395 20 10 EICDMN Cc1nc([C@H]2CCCN2Cc2cc(Cl)c(F)cc2O)cs1 ZINC000816572633 1048838732 /nfs/dbraw/zinc/83/87/32/1048838732.db2.gz XXKJVEWZGYTSBF-CQSZACIVSA-N 0 1 326.824 4.287 20 10 EICDMN [O-]c1c(C[NH2+]CCc2nc3ccccc3s2)ccc2ccccc21 ZINC000816610610 1048843866 /nfs/dbraw/zinc/84/38/66/1048843866.db2.gz RCZVIWRNKMDHLM-UHFFFAOYSA-N 0 1 334.444 4.487 20 10 EICDMN CC(C)[C@]1(CO)CCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000816662035 1048850180 /nfs/dbraw/zinc/85/01/80/1048850180.db2.gz GDEPAFCEUVFSKF-JOCHJYFZSA-N 0 1 339.479 4.290 20 10 EICDMN CC(C)[C@]1(CO)CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000816662035 1048850186 /nfs/dbraw/zinc/85/01/86/1048850186.db2.gz GDEPAFCEUVFSKF-JOCHJYFZSA-N 0 1 339.479 4.290 20 10 EICDMN CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCOC(C)(C)C1 ZINC000811511476 1049126561 /nfs/dbraw/zinc/12/65/61/1049126561.db2.gz JMIOXVPZNSWCNJ-ZDUSSCGKSA-N 0 1 332.271 4.479 20 10 EICDMN C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1cc(Cl)ccc1[O-] ZINC000812736914 1049557030 /nfs/dbraw/zinc/55/70/30/1049557030.db2.gz PYOXHWWSKPLXRN-KGLIPLIRSA-N 0 1 348.849 4.362 20 10 EICDMN C[C@@H](NCc1cccc(F)n1)c1ccc(N2CCCCCC2)cc1 ZINC000773094025 1049577648 /nfs/dbraw/zinc/57/76/48/1049577648.db2.gz FSCDYRGGOJRPAT-MRXNPFEDSA-N 0 1 327.447 4.452 20 10 EICDMN CCCCN1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000037150438 1049663685 /nfs/dbraw/zinc/66/36/85/1049663685.db2.gz WWNLCSNESFHONG-UHFFFAOYSA-N 0 1 331.287 4.053 20 10 EICDMN CC[C@@H](C)OCC[C@@H](C)N1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001172338085 1049887574 /nfs/dbraw/zinc/88/75/74/1049887574.db2.gz ACYNOFJHYNKIIU-HZPDHXFCSA-N 0 1 344.499 4.139 20 10 EICDMN CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC001177729129 1050280486 /nfs/dbraw/zinc/28/04/86/1050280486.db2.gz HWWKABFUOXEZCB-QWHCGFSZSA-N 0 1 326.278 4.459 20 10 EICDMN CN(Cc1cccs1)c1ccc(CNc2ccc3nn[nH]c3c2)cc1 ZINC001178046653 1050363424 /nfs/dbraw/zinc/36/34/24/1050363424.db2.gz XVLIZAMFBQPFQZ-UHFFFAOYSA-N 0 1 349.463 4.268 20 10 EICDMN CN(Cc1cccs1)c1ccc(CNc2ccc3n[nH]nc3c2)cc1 ZINC001178046653 1050363432 /nfs/dbraw/zinc/36/34/32/1050363432.db2.gz XVLIZAMFBQPFQZ-UHFFFAOYSA-N 0 1 349.463 4.268 20 10 EICDMN Cc1cc([O-])c(C[NH2+]CCOCc2ccc(Cl)cc2)c(Cl)c1 ZINC001178191892 1050400243 /nfs/dbraw/zinc/40/02/43/1050400243.db2.gz IKCMLUWSUZDRLR-UHFFFAOYSA-N 0 1 340.250 4.314 20 10 EICDMN CC[C@H](NCc1cc(F)c(N(C)C)cc1F)c1cccc([N+](=O)[O-])c1 ZINC001178366078 1050453570 /nfs/dbraw/zinc/45/35/70/1050453570.db2.gz YYMDYUQALHADNM-KRWDZBQOSA-N 0 1 349.381 4.180 20 10 EICDMN CCCOc1ccc(CN[C@@H]2CCOc3ccc(OC)cc32)cc1C ZINC001178445049 1050460639 /nfs/dbraw/zinc/46/06/39/1050460639.db2.gz PCCLSSULWTYXIW-LJQANCHMSA-N 0 1 341.451 4.406 20 10 EICDMN COc1c([O-])c(C[N@H+]2CCCC[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000775069763 1050461847 /nfs/dbraw/zinc/46/18/47/1050461847.db2.gz SVXGJSLPMXDUTP-MRXNPFEDSA-N 0 1 342.395 4.036 20 10 EICDMN [O-]c1cccc(Br)c1C[NH2+]C1(Cc2ccccc2)CC1 ZINC001178524985 1050491077 /nfs/dbraw/zinc/49/10/77/1050491077.db2.gz SVFXMHXBBCBNKG-UHFFFAOYSA-N 0 1 332.241 4.020 20 10 EICDMN CCCN(Cc1cccc(Br)c1[O-])c1ccc(C[NH3+])cc1 ZINC000775140152 1050605363 /nfs/dbraw/zinc/60/53/63/1050605363.db2.gz JEHNCGCIPMJRDQ-UHFFFAOYSA-N 0 1 349.272 4.030 20 10 EICDMN COc1ccc(O)c([C@H](C)NCc2csc(CCC(C)C)n2)c1 ZINC000182447298 1050665859 /nfs/dbraw/zinc/66/58/59/1050665859.db2.gz GPUXSPBRPZZKOS-ZDUSSCGKSA-N 0 1 334.485 4.297 20 10 EICDMN CCN(C)c1ccc(CN[C@@H](C)c2cc(OC)ccc2OC)cc1 ZINC000773826154 1050773574 /nfs/dbraw/zinc/77/35/74/1050773574.db2.gz ZZXPUIJENHXTSL-HNNXBMFYSA-N 0 1 328.456 4.011 20 10 EICDMN Cc1ccc(C[C@H]2CCC[N@@H+](Cc3cc(F)c(F)cc3[O-])C2)cc1 ZINC001179858526 1050807360 /nfs/dbraw/zinc/80/73/60/1050807360.db2.gz GCJLMCMWKMHEDX-MRXNPFEDSA-N 0 1 331.406 4.434 20 10 EICDMN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2c(C)cc(OC)cc2O)C1(CC)CC ZINC001179950748 1050827374 /nfs/dbraw/zinc/82/73/74/1050827374.db2.gz HHTPXAFAXQNDPO-MOPGFXCFSA-N 0 1 335.488 4.125 20 10 EICDMN C[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])C(C1CC1)C1CC1 ZINC001180006542 1050852201 /nfs/dbraw/zinc/85/22/01/1050852201.db2.gz GJKYKPRYQSVHDY-UHFFFAOYSA-N 0 1 344.680 4.429 20 10 EICDMN COc1cccc(CN(Cc2ccc(N(C)C)cc2)C(C)C)c1F ZINC001180072281 1050872028 /nfs/dbraw/zinc/87/20/28/1050872028.db2.gz POLIZCOXFUGWNH-UHFFFAOYSA-N 0 1 330.447 4.311 20 10 EICDMN CC(C)CC1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC001180115988 1050891291 /nfs/dbraw/zinc/89/12/91/1050891291.db2.gz FHYLLVJHNAOHON-UHFFFAOYSA-N 0 1 326.278 4.413 20 10 EICDMN COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC001180185205 1050897460 /nfs/dbraw/zinc/89/74/60/1050897460.db2.gz XZSQZPWCXPCDAR-LBPRGKRZSA-N 0 1 337.822 4.256 20 10 EICDMN C[N@H+](Cc1ccc(Br)o1)Cc1ccc(Cl)cc1[O-] ZINC001180392764 1050976054 /nfs/dbraw/zinc/97/60/54/1050976054.db2.gz HQWSFPMYELPIAQ-UHFFFAOYSA-N 0 1 330.609 4.033 20 10 EICDMN C[N@@H+](Cc1ccc(Br)o1)Cc1ccc(Cl)cc1[O-] ZINC001180392764 1050976064 /nfs/dbraw/zinc/97/60/64/1050976064.db2.gz HQWSFPMYELPIAQ-UHFFFAOYSA-N 0 1 330.609 4.033 20 10 EICDMN CN(Cc1ccc(Br)o1)Cc1ccc(Cl)cc1O ZINC001180392764 1050976081 /nfs/dbraw/zinc/97/60/81/1050976081.db2.gz HQWSFPMYELPIAQ-UHFFFAOYSA-N 0 1 330.609 4.033 20 10 EICDMN C[C@@H](NCc1cccc(F)c1Cl)c1ccc(N2CCOCC2)cc1 ZINC000775258344 1051002638 /nfs/dbraw/zinc/00/26/38/1051002638.db2.gz XXLMLWJJEJNZHT-CQSZACIVSA-N 0 1 348.849 4.167 20 10 EICDMN C[C@@H](NCc1cnc(-c2ccccc2)nc1)c1ccc(N(C)C)cc1 ZINC000775361720 1051128436 /nfs/dbraw/zinc/12/84/36/1051128436.db2.gz FKJSWUMCUFSONJ-MRXNPFEDSA-N 0 1 332.451 4.060 20 10 EICDMN Cc1cc(N(C)C)ccc1CNc1ccc(Cl)c(CN(C)C)c1 ZINC001181253853 1051191448 /nfs/dbraw/zinc/19/14/48/1051191448.db2.gz FKNDWMGTUQQNJD-UHFFFAOYSA-N 0 1 331.891 4.388 20 10 EICDMN [O-]c1cc(F)c(Cl)cc1CNC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001181276281 1051196441 /nfs/dbraw/zinc/19/64/41/1051196441.db2.gz LLSNSEOXYMQKIE-HNNXBMFYSA-N 0 1 340.870 4.071 20 10 EICDMN [O-]c1cc(F)c(Cl)cc1CNC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001181276281 1051196448 /nfs/dbraw/zinc/19/64/48/1051196448.db2.gz LLSNSEOXYMQKIE-HNNXBMFYSA-N 0 1 340.870 4.071 20 10 EICDMN C[C@@H]([NH2+]Cc1ccc(Cl)cc1[O-])c1nccn1-c1ccccc1 ZINC001182184710 1051414495 /nfs/dbraw/zinc/41/44/95/1051414495.db2.gz RSUKDALUZQEPBM-CYBMUJFWSA-N 0 1 327.815 4.082 20 10 EICDMN CC[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1cc(Cl)ccc1[O-] ZINC000775482841 1051553204 /nfs/dbraw/zinc/55/32/04/1051553204.db2.gz CXMIDWIJSSMZQR-HNNXBMFYSA-N 0 1 333.815 4.058 20 10 EICDMN CC[C@@H]([NH2+]CCn1c(C)nc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000775484627 1051555472 /nfs/dbraw/zinc/55/54/72/1051555472.db2.gz HJWKRSWKTSKYNB-MRXNPFEDSA-N 0 1 343.858 4.445 20 10 EICDMN CC[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1cc(Cl)ccc1[O-] ZINC000775490300 1051576444 /nfs/dbraw/zinc/57/64/44/1051576444.db2.gz VPTNUPXHJUNCJR-GOSISDBHSA-N 0 1 341.842 4.472 20 10 EICDMN CCCOc1ncccc1C[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000775491189 1051576939 /nfs/dbraw/zinc/57/69/39/1051576939.db2.gz ZLPRHSXPHWUKND-MRXNPFEDSA-N 0 1 334.847 4.470 20 10 EICDMN C[C@H](NCc1ccc2c(c1)CCO2)c1nc2ccc(Cl)cc2n1C ZINC000774406322 1051583004 /nfs/dbraw/zinc/58/30/04/1051583004.db2.gz RRBCNCNHUSHGBB-LBPRGKRZSA-N 0 1 341.842 4.012 20 10 EICDMN CC[C@@H](NCc1ccn(-c2ccccc2)n1)c1cc(Cl)ccc1O ZINC000775497151 1051610391 /nfs/dbraw/zinc/61/03/91/1051610391.db2.gz NLCSWRGVDQBKDS-GOSISDBHSA-N 0 1 341.842 4.472 20 10 EICDMN CC[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1cc(Cl)ccc1[O-] ZINC000775497151 1051610400 /nfs/dbraw/zinc/61/04/00/1051610400.db2.gz NLCSWRGVDQBKDS-GOSISDBHSA-N 0 1 341.842 4.472 20 10 EICDMN CC[C@@H]([NH2+]Cc1cn2ccc(C)cc2n1)c1cc(Cl)ccc1[O-] ZINC000775499728 1051624963 /nfs/dbraw/zinc/62/49/63/1051624963.db2.gz UXQGVYHOPUMEDX-MRXNPFEDSA-N 0 1 329.831 4.243 20 10 EICDMN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC001182555355 1051628401 /nfs/dbraw/zinc/62/84/01/1051628401.db2.gz PEHIULPEJDCRDQ-CQSZACIVSA-N 0 1 344.817 4.313 20 10 EICDMN CC[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cc(Cl)ccc1[O-] ZINC000775510018 1051640184 /nfs/dbraw/zinc/64/01/84/1051640184.db2.gz UIXDBBOLOAMTMQ-GDBMZVCRSA-N 0 1 325.861 4.056 20 10 EICDMN CC[C@H]([NH2+][C@H](C)Cc1c(C)nn(C)c1C)c1cc(Cl)ccc1[O-] ZINC000775509077 1051649219 /nfs/dbraw/zinc/64/92/19/1051649219.db2.gz NAUHJTGONDAILH-DIFFPNOSSA-N 0 1 335.879 4.068 20 10 EICDMN CC[C@H]([NH2+]C[C@@H](C)c1ccncc1)c1cc(Br)ccc1[O-] ZINC000775513465 1051651568 /nfs/dbraw/zinc/65/15/68/1051651568.db2.gz ZLRPZDOXBFZSHP-WBMJQRKESA-N 0 1 349.272 4.394 20 10 EICDMN COc1ccc(C2CC[NH+](Cc3c([O-])cc(C)cc3Cl)CC2)nc1 ZINC001182726186 1051688473 /nfs/dbraw/zinc/68/84/73/1051688473.db2.gz PDDNSUBJTNZCPD-UHFFFAOYSA-N 0 1 346.858 4.137 20 10 EICDMN C[C@@H]1C[N@H+](Cc2ccc(Br)cc2[O-])CCc2ccccc21 ZINC001182734171 1051691952 /nfs/dbraw/zinc/69/19/52/1051691952.db2.gz PFDBOIZBJYXGHL-CYBMUJFWSA-N 0 1 346.268 4.317 20 10 EICDMN C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2[O-])CCc2ccccc21 ZINC001182734171 1051691962 /nfs/dbraw/zinc/69/19/62/1051691962.db2.gz PFDBOIZBJYXGHL-CYBMUJFWSA-N 0 1 346.268 4.317 20 10 EICDMN Oc1ccccc1C[N@@H+](CCCc1ccccc1)C[C@H]1CCCO1 ZINC000071809387 1051698234 /nfs/dbraw/zinc/69/82/34/1051698234.db2.gz DTPZJTBYRFDKKF-HXUWFJFHSA-N 0 1 325.452 4.006 20 10 EICDMN CC[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1cc(Cl)ccc1[O-] ZINC000775525230 1051707372 /nfs/dbraw/zinc/70/73/72/1051707372.db2.gz FFNINYHTAIAKKS-GOEBONIOSA-N 0 1 341.785 4.098 20 10 EICDMN CC[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000775526869 1051715557 /nfs/dbraw/zinc/71/55/57/1051715557.db2.gz MQASVCCMXXJDGJ-KSFYIVLOSA-N 0 1 337.872 4.024 20 10 EICDMN CC[C@@H]([NH2+]CC1([C@H](C)CCO)CCC1)c1cc(Cl)ccc1[O-] ZINC000775532197 1051747576 /nfs/dbraw/zinc/74/75/76/1051747576.db2.gz SYUZQSXDDPKGND-CZUORRHYSA-N 0 1 325.880 4.275 20 10 EICDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC001183779533 1051895022 /nfs/dbraw/zinc/89/50/22/1051895022.db2.gz OQXLVOTVHNORBM-SNVBAGLBSA-N 0 1 341.760 4.452 20 10 EICDMN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CC2(C1)CC(F)(F)CS2 ZINC001203581969 1051942489 /nfs/dbraw/zinc/94/24/89/1051942489.db2.gz JBAOLRBTXYSZDE-UHFFFAOYSA-N 0 1 340.222 4.026 20 10 EICDMN O=C(Nc1ccc2c3c(cccc31)CC2)c1cc(O)c(O)c(Cl)c1 ZINC001193624701 1051956711 /nfs/dbraw/zinc/95/67/11/1051956711.db2.gz JSPWBLPWAVNRJO-UHFFFAOYSA-N 0 1 339.778 4.255 20 10 EICDMN C[C@]12CC3CC(NC(=O)c4cc(O)c(O)c(Cl)c4)(C1)C[C@@](C)(C3)C2 ZINC001193625368 1051957030 /nfs/dbraw/zinc/95/70/30/1051957030.db2.gz HNTKVXYQFHGUSD-PDPGNDQDSA-N 0 1 349.858 4.230 20 10 EICDMN CC(C)[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)c1ccc(F)cc1 ZINC001193633779 1051959004 /nfs/dbraw/zinc/95/90/04/1051959004.db2.gz GOAFZRZXWMXKFA-OAHLLOKOSA-N 0 1 337.778 4.017 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)c1[O-] ZINC001194536029 1052165903 /nfs/dbraw/zinc/16/59/03/1052165903.db2.gz XSFYGBWRXCBPGP-INIZCTEOSA-N 0 1 327.399 4.114 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](c3ccccc3)C2)c1[O-] ZINC001194536029 1052165914 /nfs/dbraw/zinc/16/59/14/1052165914.db2.gz XSFYGBWRXCBPGP-INIZCTEOSA-N 0 1 327.399 4.114 20 10 EICDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H]2CCc3ccccc3C2)c1[O-] ZINC001176908244 1052209059 /nfs/dbraw/zinc/20/90/59/1052209059.db2.gz BRGMXVSGAILCIY-GOSISDBHSA-N 0 1 343.854 4.238 20 10 EICDMN C[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc2ccccc2c1[O-] ZINC000185121691 1052443571 /nfs/dbraw/zinc/44/35/71/1052443571.db2.gz QQQNXUNTTLRSJR-ZDUSSCGKSA-N 0 1 325.383 4.028 20 10 EICDMN Cc1cc(Br)cc(CN2CCC[C@@H]2c2ccc[nH]2)c1O ZINC000775630422 1053217899 /nfs/dbraw/zinc/21/78/99/1053217899.db2.gz LCHLZRVSWWBFEH-OAHLLOKOSA-N 0 1 335.245 4.128 20 10 EICDMN COC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1cccc(OC)c1 ZINC000850515461 1053273321 /nfs/dbraw/zinc/27/33/21/1053273321.db2.gz YALAEJVEUVMHLX-SJCJKPOMSA-N 0 1 335.831 4.093 20 10 EICDMN C[C@H]([NH2+]CC[C@]1(C)CC1(F)F)c1ccc(Br)cc1[O-] ZINC000850537654 1053302201 /nfs/dbraw/zinc/30/22/01/1053302201.db2.gz WQOOUUKHUIHEOY-TVQRCGJNSA-N 0 1 334.204 4.241 20 10 EICDMN C[C@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1ccc(Br)cc1[O-] ZINC000850542797 1053304519 /nfs/dbraw/zinc/30/45/19/1053304519.db2.gz CCVAFDCQFWMEDC-QFYYESIMSA-N 0 1 348.240 4.198 20 10 EICDMN CC[C@H](NCc1c(F)c(F)cc(F)c1F)c1ccc(C)cc1O ZINC000794813047 1053419649 /nfs/dbraw/zinc/41/96/49/1053419649.db2.gz BADVTKCMJPSQGV-AWEZNQCLSA-N 0 1 327.321 4.498 20 10 EICDMN C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@@H](c2ccccc2)O1 ZINC000775661052 1053428551 /nfs/dbraw/zinc/42/85/51/1053428551.db2.gz IASKGRKTAXQQJY-PXAZEXFGSA-N 0 1 335.806 4.147 20 10 EICDMN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@@H](c2ccccc2)O1 ZINC000775661052 1053428556 /nfs/dbraw/zinc/42/85/56/1053428556.db2.gz IASKGRKTAXQQJY-PXAZEXFGSA-N 0 1 335.806 4.147 20 10 EICDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@@H](c2ccccc2)O1 ZINC000775661052 1053428562 /nfs/dbraw/zinc/42/85/62/1053428562.db2.gz IASKGRKTAXQQJY-PXAZEXFGSA-N 0 1 335.806 4.147 20 10 EICDMN CC1(C)C[C@@H](NCc2ccc3c(c2)CCO3)c2ccc(F)cc2O1 ZINC000765281703 1053489327 /nfs/dbraw/zinc/48/93/27/1053489327.db2.gz RGNGLRSVEYJMAI-QGZVFWFLSA-N 0 1 327.399 4.153 20 10 EICDMN Clc1cncc(Cl)c1CNCCCSc1nccs1 ZINC000865468595 1053517533 /nfs/dbraw/zinc/51/75/33/1053517533.db2.gz JBSNEBRZRWXRHQ-UHFFFAOYSA-N 0 1 334.297 4.117 20 10 EICDMN COc1ccc(Cl)cc1[C@@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000765473179 1053562308 /nfs/dbraw/zinc/56/23/08/1053562308.db2.gz DRKMCWZGTWLBNX-GFCCVEGCSA-N 0 1 336.838 4.405 20 10 EICDMN O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000775713699 1053664134 /nfs/dbraw/zinc/66/41/34/1053664134.db2.gz LWDBNUNASHJHHW-AWEZNQCLSA-N 0 1 347.817 4.280 20 10 EICDMN C[C@H](Nc1cnn2c1CCCC2)c1ccc(Cl)c(Cl)c1O ZINC000866461289 1053740339 /nfs/dbraw/zinc/74/03/39/1053740339.db2.gz PAJCTDRGDYLFDO-VIFPVBQESA-N 0 1 326.227 4.405 20 10 EICDMN C[C@H](NCc1noc2ccc(F)cc21)c1cc2c(cc1O)CCCC2 ZINC000866510628 1053759192 /nfs/dbraw/zinc/75/91/92/1053759192.db2.gz GFYOKNQKTJQWFD-LBPRGKRZSA-N 0 1 340.398 4.402 20 10 EICDMN C[C@@H]1C[C@@H](NCc2noc3ccc(F)cc32)c2c1c(F)ccc2O ZINC000866512353 1053761774 /nfs/dbraw/zinc/76/17/74/1053761774.db2.gz YLYMBRHQIMOPKB-NOZJJQNGSA-N 0 1 330.334 4.150 20 10 EICDMN C[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1cc(Br)ccc1[O-] ZINC000854225891 1053782456 /nfs/dbraw/zinc/78/24/56/1053782456.db2.gz MKOFOEDEWOCLJM-HWPZZCPQSA-N 0 1 347.256 4.075 20 10 EICDMN C[C@@H](N[C@@H](C)c1cc(F)ccc1F)c1ccc(N2CCOCC2)cc1 ZINC000112536861 1053839151 /nfs/dbraw/zinc/83/91/51/1053839151.db2.gz GPYDEVFDPKBDJH-CABCVRRESA-N 0 1 346.421 4.213 20 10 EICDMN CC(C)(C)C1CC(C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000857507148 1054286682 /nfs/dbraw/zinc/28/66/82/1054286682.db2.gz BNYDYGWSVNPGMF-UHFFFAOYSA-N 0 1 330.255 4.388 20 10 EICDMN CC1CCN(c2ccc(CNCc3ccncc3Cl)cc2)CC1 ZINC000858131736 1054420994 /nfs/dbraw/zinc/42/09/94/1054420994.db2.gz GOHGAWUHZZYGIQ-UHFFFAOYSA-N 0 1 329.875 4.261 20 10 EICDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000858162353 1054428711 /nfs/dbraw/zinc/42/87/11/1054428711.db2.gz XZABRGMQYCTAJF-JTQLQIEISA-N 0 1 334.204 4.070 20 10 EICDMN C[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Br)c2ccccc2O1 ZINC000858170327 1054431708 /nfs/dbraw/zinc/43/17/08/1054431708.db2.gz DXHGIFYUJNLQSQ-IAQYHMDHSA-N 0 1 348.240 4.157 20 10 EICDMN Cc1cc([C@H](C)NCc2cc(C)n(-c3cccc(C)c3)c2C)n(C)n1 ZINC000858542922 1054512826 /nfs/dbraw/zinc/51/28/26/1054512826.db2.gz NWFBUJZRDOJCGC-KRWDZBQOSA-N 0 1 336.483 4.295 20 10 EICDMN C[C@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1ccc2ccccc2c1[O-] ZINC000186189870 1054628290 /nfs/dbraw/zinc/62/82/90/1054628290.db2.gz DFKYYGXJGNAYHE-LHSJRXKWSA-N 0 1 339.410 4.243 20 10 EICDMN Cc1cc([O-])c(C[NH2+][C@@H](C)C[C@@H](O)c2ccc(F)cc2)c(Cl)c1 ZINC001201788164 1054919399 /nfs/dbraw/zinc/91/93/99/1054919399.db2.gz VWMPWTVBVDZNNE-YVEFUNNKSA-N 0 1 337.822 4.095 20 10 EICDMN Cc1cc([O-])c(C[NH2+]C[C@](C)(O)c2ccccc2Cl)c(Cl)c1 ZINC001201890198 1054936097 /nfs/dbraw/zinc/93/60/97/1054936097.db2.gz VNNBPRGYEXOCSN-KRWDZBQOSA-N 0 1 340.250 4.005 20 10 EICDMN C[C@@H](NCc1c[nH]c(=NC(=O)OC(C)(C)C)s1)c1ccccc1O ZINC000877755912 1055115270 /nfs/dbraw/zinc/11/52/70/1055115270.db2.gz SGDDWXONITWJOF-LLVKDONJSA-N 0 1 349.456 4.047 20 10 EICDMN Fc1cc2c(c(F)c1F)[C@H](NCc1ccc3c(c1)CCCO3)CC2 ZINC001202417935 1055163417 /nfs/dbraw/zinc/16/34/17/1055163417.db2.gz PLKWLPCRZNIHDQ-OAHLLOKOSA-N 0 1 333.353 4.206 20 10 EICDMN Cc1c2ccccc2n(C)c1CNCc1cccc(C(F)(F)F)n1 ZINC001202475653 1055292155 /nfs/dbraw/zinc/29/21/55/1055292155.db2.gz ZBMJUQXNXKGDMR-UHFFFAOYSA-N 0 1 333.357 4.190 20 10 EICDMN Cc1cc(C#N)ccc1CN(Cc1ccco1)Cc1ccccc1O ZINC000186291012 1055324292 /nfs/dbraw/zinc/32/42/92/1055324292.db2.gz VZDODFYBLDKOQX-UHFFFAOYSA-N 0 1 332.403 4.368 20 10 EICDMN CCCN(Cc1ccn(-c2ccc(F)cc2)n1)Cc1ccccc1O ZINC000743870162 1059191669 /nfs/dbraw/zinc/19/16/69/1059191669.db2.gz JSLMCPFIHGGZLL-UHFFFAOYSA-N 0 1 339.414 4.129 20 10 EICDMN CCC[N@H+](Cc1ccc(OC)cc1)Cc1c([O-])ccc2ccncc21 ZINC000746034288 1059979576 /nfs/dbraw/zinc/97/95/76/1059979576.db2.gz NBNLACJFZUYRNO-UHFFFAOYSA-N 0 1 336.435 4.361 20 10 EICDMN CCC[N@@H+](Cc1ccc(OC)cc1)Cc1c([O-])ccc2ccncc21 ZINC000746034288 1059979599 /nfs/dbraw/zinc/97/95/99/1059979599.db2.gz NBNLACJFZUYRNO-UHFFFAOYSA-N 0 1 336.435 4.361 20 10 EICDMN C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])C1CCC(F)(F)CC1 ZINC000690882851 1032235555 /nfs/dbraw/zinc/23/55/55/1032235555.db2.gz ZZPFFBCKPWKBJP-JTQLQIEISA-N 0 1 348.231 4.458 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2Cc2ccccc2C)c1O ZINC001167433475 1022477947 /nfs/dbraw/zinc/47/79/47/1022477947.db2.gz FCPPWTDNYANREX-IBGZPJMESA-N 0 1 341.426 4.249 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2Cc2ccccc2C)c1[O-] ZINC001167433475 1022477958 /nfs/dbraw/zinc/47/79/58/1022477958.db2.gz FCPPWTDNYANREX-IBGZPJMESA-N 0 1 341.426 4.249 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2Cc2ccccc2C)c1[O-] ZINC001167433475 1022477970 /nfs/dbraw/zinc/47/79/70/1022477970.db2.gz FCPPWTDNYANREX-IBGZPJMESA-N 0 1 341.426 4.249 20 10 EICDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1[O-] ZINC000180422830 1022654004 /nfs/dbraw/zinc/65/40/04/1022654004.db2.gz XHKAATGPEYYCII-SNVBAGLBSA-N 0 1 348.786 4.007 20 10 EICDMN C[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000363855915 1022859463 /nfs/dbraw/zinc/85/94/63/1022859463.db2.gz OALJQSUMQMEYRY-ORAYPTAESA-N 0 1 341.842 4.219 20 10 EICDMN C[C@H](N[C@@H](c1cnn(C)c1)c1ccccc1)c1cc(Cl)ccc1O ZINC000363855915 1022859465 /nfs/dbraw/zinc/85/94/65/1022859465.db2.gz OALJQSUMQMEYRY-ORAYPTAESA-N 0 1 341.842 4.219 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)c1[O-] ZINC001167707645 1022993909 /nfs/dbraw/zinc/99/39/09/1022993909.db2.gz AVLODEJCLGSDIL-HXUWFJFHSA-N 0 1 339.410 4.386 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)c1[O-] ZINC001167707645 1022993922 /nfs/dbraw/zinc/99/39/22/1022993922.db2.gz AVLODEJCLGSDIL-HXUWFJFHSA-N 0 1 339.410 4.386 20 10 EICDMN C[C@@H](NCc1cc(Cl)ccc1O)c1nccn1-c1ccccc1 ZINC000377355395 1023483785 /nfs/dbraw/zinc/48/37/85/1023483785.db2.gz VMYSECLBSSHGRM-CYBMUJFWSA-N 0 1 327.815 4.082 20 10 EICDMN C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1[O-] ZINC000326396233 1023844125 /nfs/dbraw/zinc/84/41/25/1023844125.db2.gz MGJYTBLUBKLDKF-AWEZNQCLSA-N 0 1 336.391 4.347 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ZINC000825233354 1048054487 /nfs/dbraw/zinc/05/44/87/1048054487.db2.gz BSUKGECLBKJNJQ-CQSZACIVSA-N 0 1 335.245 4.181 20 10 EICDMN CCOc1cc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])ccc1OC ZINC000825283378 1048063379 /nfs/dbraw/zinc/06/33/79/1048063379.db2.gz KZQPOGREALONST-UHFFFAOYSA-N 0 1 335.831 4.051 20 10 EICDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000825311407 1048072653 /nfs/dbraw/zinc/07/26/53/1048072653.db2.gz JVXNELYPFYOFFT-MRXNPFEDSA-N 0 1 337.872 4.101 20 10 EICDMN [O-]c1c(Cl)cccc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000809698581 1048459070 /nfs/dbraw/zinc/45/90/70/1048459070.db2.gz CSYZDCGSKXZIFJ-ZIFCJYIRSA-N 0 1 343.854 4.050 20 10 EICDMN CC(C)c1ncc(C[NH2+]Cc2cc(Br)ccc2[O-])s1 ZINC000809712815 1048490481 /nfs/dbraw/zinc/49/04/81/1048490481.db2.gz VAMRJCAKNIVNKL-UHFFFAOYSA-N 0 1 341.274 4.024 20 10 EICDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1ccc2occc2c1 ZINC000809712757 1048491806 /nfs/dbraw/zinc/49/18/06/1048491806.db2.gz DNPAZEMVURMBQJ-UHFFFAOYSA-N 0 1 332.197 4.191 20 10 EICDMN Cc1cc(Br)cc(CN(Cc2ccccn2)C2CC2)c1O ZINC000809763128 1048524005 /nfs/dbraw/zinc/52/40/05/1048524005.db2.gz KCOSYGDYULCCBW-UHFFFAOYSA-N 0 1 347.256 4.023 20 10 EICDMN CC(C)(C)CCOc1cnccc1CNCc1cc(F)ccc1O ZINC000809783394 1048529206 /nfs/dbraw/zinc/52/92/06/1048529206.db2.gz BCEFUSNEKBKIMS-UHFFFAOYSA-N 0 1 332.419 4.031 20 10 EICDMN COc1ccncc1CN[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000815629505 1048554267 /nfs/dbraw/zinc/55/42/67/1048554267.db2.gz FIIIFZYIDHNQEN-QGZVFWFLSA-N 0 1 339.483 4.321 20 10 EICDMN CC[C@@H]([NH2+]Cc1cnccc1OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000815629845 1048554609 /nfs/dbraw/zinc/55/46/09/1048554609.db2.gz ONURWDQGQBEEOH-CQSZACIVSA-N 0 1 340.345 4.056 20 10 EICDMN COC[C@@H](NCc1ccc(N(C)C)cc1C)c1cccc(Cl)c1 ZINC000810220037 1048688376 /nfs/dbraw/zinc/68/83/76/1048688376.db2.gz ZSZVLUVQUSRELO-LJQANCHMSA-N 0 1 332.875 4.192 20 10 EICDMN CC[C@H]([NH2+]CCc1csc(C)n1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209650 1048704802 /nfs/dbraw/zinc/70/48/02/1048704802.db2.gz HMWMXHYQCPZHCZ-AWEZNQCLSA-N 0 1 344.402 4.459 20 10 EICDMN CC[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810259679 1048710578 /nfs/dbraw/zinc/71/05/78/1048710578.db2.gz PEZPAVXYYHDSEC-CABCVRRESA-N 0 1 331.378 4.003 20 10 EICDMN C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000810245635 1048727427 /nfs/dbraw/zinc/72/74/27/1048727427.db2.gz FGLSGGLQTDEJTM-POCHDABASA-N 0 1 347.458 4.362 20 10 EICDMN COc1ccc(O)c([C@H](C)NCc2cscc2Br)c1 ZINC000845971183 1048771861 /nfs/dbraw/zinc/77/18/61/1048771861.db2.gz HWZVIGJTYTYUAA-VIFPVBQESA-N 0 1 342.258 4.076 20 10 EICDMN COCC[N@@H+](Cc1cccs1)Cc1ccc2ccccc2c1O ZINC000816482585 1048813286 /nfs/dbraw/zinc/81/32/86/1048813286.db2.gz LLYMATQAKHFASC-UHFFFAOYSA-N 0 1 327.449 4.256 20 10 EICDMN COCC[N@H+](Cc1cccs1)Cc1ccc2ccccc2c1[O-] ZINC000816482585 1048813293 /nfs/dbraw/zinc/81/32/93/1048813293.db2.gz LLYMATQAKHFASC-UHFFFAOYSA-N 0 1 327.449 4.256 20 10 EICDMN COCC[N@@H+](Cc1cccs1)Cc1ccc2ccccc2c1[O-] ZINC000816482585 1048813294 /nfs/dbraw/zinc/81/32/94/1048813294.db2.gz LLYMATQAKHFASC-UHFFFAOYSA-N 0 1 327.449 4.256 20 10 EICDMN C[C@H](N[C@H](Cc1ccccc1)c1nccn1C)c1ccc(N(C)C)cc1 ZINC000846207356 1048832844 /nfs/dbraw/zinc/83/28/44/1048832844.db2.gz NBJZKPGKZISCHM-LAUBAEHRSA-N 0 1 348.494 4.121 20 10 EICDMN [O-]c1c(C[NH2+]C[C@H](O)c2ccccc2Cl)ccc2ccccc12 ZINC000816552748 1048834652 /nfs/dbraw/zinc/83/46/52/1048834652.db2.gz VATLUTRRHGGMTG-SFHVURJKSA-N 0 1 327.811 4.022 20 10 EICDMN [O-]c1c(C[NH2+]CCc2cccc(C(F)(F)F)n2)ccc2ccccc21 ZINC000816627234 1048840812 /nfs/dbraw/zinc/84/08/12/1048840812.db2.gz INNAJTFSQNTIAO-UHFFFAOYSA-N 0 1 346.352 4.292 20 10 EICDMN C[C@@]12CC[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C[C@@H]1C2(Cl)Cl ZINC000816603705 1048842224 /nfs/dbraw/zinc/84/22/24/1048842224.db2.gz NXRGWZNSPNBPIB-QWHCGFSZSA-N 0 1 338.637 4.200 20 10 EICDMN CC1(C)CN(Cc2cccc(Br)c2O)[C@@H]1c1ccncc1 ZINC000816621821 1048845060 /nfs/dbraw/zinc/84/50/60/1048845060.db2.gz QDTVGNFVMZPVJD-MRXNPFEDSA-N 0 1 347.256 4.133 20 10 EICDMN CC[C@@H]([NH2+]CCc1ccc(N)cc1)c1cc(Br)ccc1[O-] ZINC000817958839 1049067881 /nfs/dbraw/zinc/06/78/81/1049067881.db2.gz ZLXGTVLREQOTJA-MRXNPFEDSA-N 0 1 349.272 4.020 20 10 EICDMN C[C@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1ccc2ccccc2c1[O-] ZINC000817975854 1049075702 /nfs/dbraw/zinc/07/57/02/1049075702.db2.gz YRQUFUREPFISED-BTYIYWSLSA-N 0 1 332.447 4.083 20 10 EICDMN CC1(C)C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1[C@@H]1CCCO1 ZINC000811510410 1049123657 /nfs/dbraw/zinc/12/36/57/1049123657.db2.gz FVGUENLLXDEWPU-ZFWWWQNUSA-N 0 1 330.255 4.088 20 10 EICDMN C[C@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1ccc2ccccc2c1[O-] ZINC000812738256 1049557678 /nfs/dbraw/zinc/55/76/78/1049557678.db2.gz ZXEYQGCHDOAOLA-AWEZNQCLSA-N 0 1 335.451 4.009 20 10 EICDMN O=C(/C=C/c1ccccc1F)NCc1cc(Cl)cc(Cl)c1O ZINC000813684003 1049808715 /nfs/dbraw/zinc/80/87/15/1049808715.db2.gz IVQATDCAZJKYLF-AATRIKPKSA-N 0 1 340.181 4.168 20 10 EICDMN C[C@H]([NH2+][C@@H](C)[C@@H]1OCCc2sccc21)c1cc(Cl)ccc1[O-] ZINC000813884338 1049831681 /nfs/dbraw/zinc/83/16/81/1049831681.db2.gz IGVOXSKPWBHJRF-DINDLPBHSA-N 0 1 337.872 4.460 20 10 EICDMN C[C@H](Cc1c(F)cccc1Cl)N1CCCc2cc(O)c(O)cc2C1 ZINC001172862348 1050198489 /nfs/dbraw/zinc/19/84/89/1050198489.db2.gz QMQCUWMKLLMGBB-GFCCVEGCSA-N 0 1 349.833 4.270 20 10 EICDMN Oc1ccccc1CNCc1nc2ccc(Br)cc2s1 ZINC000774983023 1050254799 /nfs/dbraw/zinc/25/47/99/1050254799.db2.gz NAGKIVWXVHARFD-UHFFFAOYSA-N 0 1 349.253 4.054 20 10 EICDMN CC[C@@H](Cc1ccccc1)[NH2+]Cc1c([O-])cccc1Br ZINC001177624785 1050269074 /nfs/dbraw/zinc/26/90/74/1050269074.db2.gz SYAGBYKYVHLAIQ-AWEZNQCLSA-N 0 1 334.257 4.266 20 10 EICDMN Cc1cc([O-])c(C[NH2+]C[C@@]2(c3ccccc3)CCCO2)c(Cl)c1 ZINC001179652751 1050737406 /nfs/dbraw/zinc/73/74/06/1050737406.db2.gz ZDUPHLJAUXODRO-LJQANCHMSA-N 0 1 331.843 4.150 20 10 EICDMN O=C(C[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1[O-])c1ccc(F)cc1 ZINC001179925146 1050820106 /nfs/dbraw/zinc/82/01/06/1050820106.db2.gz NKIWSXDCFJLLLL-INIZCTEOSA-N 0 1 349.352 4.047 20 10 EICDMN CN(C)c1ccc(/C=C\CN(Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC001180174954 1050895855 /nfs/dbraw/zinc/89/58/55/1050895855.db2.gz PQHVDBIKRPUPSA-IXWARAEBSA-N 0 1 340.467 4.040 20 10 EICDMN COc1ccccc1[C@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001180189184 1050908550 /nfs/dbraw/zinc/90/85/50/1050908550.db2.gz OCXZNZZDMNBAPX-QGZVFWFLSA-N 0 1 333.378 4.406 20 10 EICDMN C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)Cc1cc(F)cc(F)c1[O-] ZINC001180392711 1050977561 /nfs/dbraw/zinc/97/75/61/1050977561.db2.gz GOBATYHYCYNWTO-UHFFFAOYSA-N 0 1 347.283 4.201 20 10 EICDMN COc1ccccc1CN(C/C=C/c1ccc(N(C)C)cc1)C1CC1 ZINC001180558790 1051033581 /nfs/dbraw/zinc/03/35/81/1051033581.db2.gz UPPXOAMOCXSRGW-VOTSOKGWSA-N 0 1 336.479 4.439 20 10 EICDMN COc1ccc(F)c(CN(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC001180558072 1051033756 /nfs/dbraw/zinc/03/37/56/1051033756.db2.gz JDJXXTZQJHSLJV-UHFFFAOYSA-N 0 1 328.431 4.065 20 10 EICDMN CCc1cccnc1[C@H](C)NCc1ccc(N(CC)CC)c(F)c1 ZINC000780726152 1051054004 /nfs/dbraw/zinc/05/40/04/1051054004.db2.gz XEXDTOCHWRNNIR-HNNXBMFYSA-N 0 1 329.463 4.480 20 10 EICDMN Oc1c(CN2CCCc3cc(OC(F)F)ccc32)ccc(F)c1F ZINC001180654901 1051055785 /nfs/dbraw/zinc/05/57/85/1051055785.db2.gz ROENVOWLLFZBNB-UHFFFAOYSA-N 0 1 341.304 4.225 20 10 EICDMN Cc1cc([O-])c(C[NH2+]CCC2CC(OC(C)(C)C)C2)cc1Cl ZINC001180859575 1051096269 /nfs/dbraw/zinc/09/62/69/1051096269.db2.gz YWSJUORBFDWNLR-UHFFFAOYSA-N 0 1 325.880 4.427 20 10 EICDMN CC[C@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1cc(Cl)ccc1[O-] ZINC000775483071 1051550826 /nfs/dbraw/zinc/55/08/26/1051550826.db2.gz JMWJJWKEIVYDOK-LSDHHAIUSA-N 0 1 338.904 4.451 20 10 EICDMN CC[C@@H]([NH2+]Cc1ccc(OCCOC)cc1)c1cc(Cl)ccc1[O-] ZINC000775493317 1051603725 /nfs/dbraw/zinc/60/37/25/1051603725.db2.gz XJYXJQDVFWBFKS-GOSISDBHSA-N 0 1 349.858 4.312 20 10 EICDMN CC[C@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1cc(Cl)ccc1[O-] ZINC000775500056 1051622831 /nfs/dbraw/zinc/62/28/31/1051622831.db2.gz NINKAEWRXWHXMP-KRWDZBQOSA-N 0 1 346.858 4.470 20 10 EICDMN CC[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775509663 1051652823 /nfs/dbraw/zinc/65/28/23/1051652823.db2.gz OEOMWOAZSOTJRT-QAPCUYQASA-N 0 1 333.859 4.253 20 10 EICDMN CC[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775509662 1051654041 /nfs/dbraw/zinc/65/40/41/1051654041.db2.gz OEOMWOAZSOTJRT-MAUKXSAKSA-N 0 1 333.859 4.253 20 10 EICDMN COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC001182683942 1051671906 /nfs/dbraw/zinc/67/19/06/1051671906.db2.gz IORQYNIRLIMMGR-XJKSGUPXSA-N 0 1 339.863 4.037 20 10 EICDMN COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC001182683940 1051672103 /nfs/dbraw/zinc/67/21/03/1051672103.db2.gz IORQYNIRLIMMGR-CZUORRHYSA-N 0 1 339.863 4.037 20 10 EICDMN CC[C@@H]([NH2+]CCOCc1ccc(OC)cc1)c1cc(Cl)ccc1[O-] ZINC000775519119 1051683048 /nfs/dbraw/zinc/68/30/48/1051683048.db2.gz IOICFZJSXJLADM-GOSISDBHSA-N 0 1 349.858 4.312 20 10 EICDMN CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc(Cl)ccc1[O-] ZINC000775524707 1051710426 /nfs/dbraw/zinc/71/04/26/1051710426.db2.gz GSDNYTLSXLQVOT-INIZCTEOSA-N 0 1 334.803 4.237 20 10 EICDMN CC[C@@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1cc(Cl)ccc1[O-] ZINC000775526904 1051716061 /nfs/dbraw/zinc/71/60/61/1051716061.db2.gz NLZJLBLULFKNCQ-WBVHZDCISA-N 0 1 340.250 4.473 20 10 EICDMN CC[C@H]([NH2+]C[C@H]1CCC[C@@H]1OC)c1cc(Br)ccc1[O-] ZINC000775532425 1051750452 /nfs/dbraw/zinc/75/04/52/1051750452.db2.gz ULCAQVMAGQQVJO-WPGHFRTFSA-N 0 1 342.277 4.011 20 10 EICDMN CC[C@@H]([NH2+]Cc1nn(C)c2ccccc12)c1cc(Cl)ccc1[O-] ZINC000775555850 1051839677 /nfs/dbraw/zinc/83/96/77/1051839677.db2.gz RFWUAGZZXGJYCJ-OAHLLOKOSA-N 0 1 329.831 4.173 20 10 EICDMN Cc1csc(C[C@H]2CC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)n1 ZINC001183972179 1051934640 /nfs/dbraw/zinc/93/46/40/1051934640.db2.gz NWFZDHDOLVIWPN-LLVKDONJSA-N 0 1 340.851 4.014 20 10 EICDMN CC[C@H](C)C1CCC(NC(=O)c2cc(O)c(O)c(Cl)c2)CC1 ZINC001193633948 1051958413 /nfs/dbraw/zinc/95/84/13/1051958413.db2.gz MEXDTMWYKLHVHH-ZBOXLXRLSA-N 0 1 325.836 4.086 20 10 EICDMN CC(C)[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)c1ccc(F)cc1 ZINC001193633778 1051958480 /nfs/dbraw/zinc/95/84/80/1051958480.db2.gz GOAFZRZXWMXKFA-HNNXBMFYSA-N 0 1 337.778 4.017 20 10 EICDMN Cc1cc(N(C)C)ccc1CN(C)Cc1cc(-c2ccccc2)n[nH]1 ZINC001184239616 1051977267 /nfs/dbraw/zinc/97/72/67/1051977267.db2.gz ORLDYSKNTQESAF-UHFFFAOYSA-N 0 1 334.467 4.083 20 10 EICDMN CCN(C)c1ccc(CN2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)cc1 ZINC001176532865 1052114782 /nfs/dbraw/zinc/11/47/82/1052114782.db2.gz NPBBFYMPWUTBNM-JBYIUTFZSA-N 0 1 338.495 4.493 20 10 EICDMN COc1c([O-])c(C[N@@H+](C)[C@@H](C)c2ccc(C)cc2C)ccc1[N+](=O)[O-] ZINC000774834239 1052175683 /nfs/dbraw/zinc/17/56/83/1052175683.db2.gz DYEKGGZSRSOCSF-AWEZNQCLSA-N 0 1 344.411 4.119 20 10 EICDMN CC[C@H](c1ccccc1)[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774838152 1052189333 /nfs/dbraw/zinc/18/93/33/1052189333.db2.gz BFFZPZIBIXJTQY-MRXNPFEDSA-N 0 1 344.411 4.282 20 10 EICDMN C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc2ccccc2c1[O-] ZINC000184944660 1052330603 /nfs/dbraw/zinc/33/06/03/1052330603.db2.gz UECYBRDNEVVYBT-BFUOFWGJSA-N 0 1 325.383 4.069 20 10 EICDMN CCNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])cc1 ZINC000185027567 1052366633 /nfs/dbraw/zinc/36/66/33/1052366633.db2.gz GZULXDALFJCCNA-OAHLLOKOSA-N 0 1 348.446 4.146 20 10 EICDMN CCc1cnc(CC[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])s1 ZINC000185583559 1052650486 /nfs/dbraw/zinc/65/04/86/1052650486.db2.gz FLBKHEIJBZZJAF-ZDUSSCGKSA-N 0 1 326.465 4.458 20 10 EICDMN COc1cc(CNCc2noc3ccccc23)c(O)c(C(C)(C)C)c1 ZINC000850339172 1053119662 /nfs/dbraw/zinc/11/96/62/1053119662.db2.gz LNORQLBDEKZBPJ-UHFFFAOYSA-N 0 1 340.423 4.129 20 10 EICDMN COC(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1F ZINC000864008914 1053132234 /nfs/dbraw/zinc/13/22/34/1053132234.db2.gz RTLIKWYBZBMQGG-UHFFFAOYSA-N 0 1 344.169 4.237 20 10 EICDMN Oc1c(F)c(F)ccc1CNc1ccc2c(cnn2C(F)F)c1 ZINC000864030692 1053168916 /nfs/dbraw/zinc/16/89/16/1053168916.db2.gz OVFHHCCVASVPCW-UHFFFAOYSA-N 0 1 325.265 4.027 20 10 EICDMN CC[C@@H]([NH2+]Cc1cccnc1N1CCCC1)c1cc(Cl)ccc1[O-] ZINC000850499941 1053259466 /nfs/dbraw/zinc/25/94/66/1053259466.db2.gz AROJGUHFXOXYJQ-QGZVFWFLSA-N 0 1 345.874 4.282 20 10 EICDMN CC[C@H]([NH2+]Cc1cccnc1N1CCCC1)c1cc(Cl)ccc1[O-] ZINC000850499940 1053262027 /nfs/dbraw/zinc/26/20/27/1053262027.db2.gz AROJGUHFXOXYJQ-KRWDZBQOSA-N 0 1 345.874 4.282 20 10 EICDMN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)c1[O-] ZINC000850539761 1053300443 /nfs/dbraw/zinc/30/04/43/1053300443.db2.gz GBNXMLFSKBYHOU-JOQOYGCGSA-N 0 1 347.890 4.150 20 10 EICDMN C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)c1ccc2ccccc2c1[O-] ZINC000850540550 1053302486 /nfs/dbraw/zinc/30/24/86/1053302486.db2.gz MOCQQKNIKABDHC-UQASEVPWSA-N 0 1 349.478 4.341 20 10 EICDMN C[C@@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1cc(Br)ccc1[O-] ZINC000850543275 1053304959 /nfs/dbraw/zinc/30/49/59/1053304959.db2.gz HDPBPQQXAWWXGK-QLJPJBMISA-N 0 1 348.240 4.198 20 10 EICDMN Cc1cccc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)c1O ZINC000775664120 1053436438 /nfs/dbraw/zinc/43/64/38/1053436438.db2.gz SHGCOOUVAAHHHO-LJQANCHMSA-N 0 1 335.451 4.315 20 10 EICDMN C[C@H](NCc1cccnc1F)c1ccc(N2CCCCCC2)cc1 ZINC000794827104 1053440134 /nfs/dbraw/zinc/44/01/34/1053440134.db2.gz FXDUJPRVRHVXAR-INIZCTEOSA-N 0 1 327.447 4.452 20 10 EICDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CCCc2ccccc21 ZINC000109871475 1053451211 /nfs/dbraw/zinc/45/12/11/1053451211.db2.gz COXRXBOZSRPBAP-INIZCTEOSA-N 0 1 332.241 4.322 20 10 EICDMN CN(C)c1ccc(CN[C@@H]2CC(C)(C)Oc3cc(F)ccc32)cc1F ZINC000765285638 1053492867 /nfs/dbraw/zinc/49/28/67/1053492867.db2.gz MAECZIJDUZVAOE-QGZVFWFLSA-N 0 1 346.421 4.423 20 10 EICDMN C[C@@H]1CO[C@H](c2ccccc2)CN1Cc1cc(Cl)cc(F)c1O ZINC000775675351 1053507755 /nfs/dbraw/zinc/50/77/55/1053507755.db2.gz YSQBEPNJFMGHKW-PXAZEXFGSA-N 0 1 335.806 4.147 20 10 EICDMN COc1cc(CN(Cc2ccccc2O)[C@@H](C)c2ccccc2)on1 ZINC000851880403 1053528142 /nfs/dbraw/zinc/52/81/42/1053528142.db2.gz XXMBDTNYXQJHGB-HNNXBMFYSA-N 0 1 338.407 4.152 20 10 EICDMN C[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1ccc(Br)cc1[O-] ZINC000797586333 1053541217 /nfs/dbraw/zinc/54/12/17/1053541217.db2.gz YXFVJRYADBVRRN-NXEZZACHSA-N 0 1 334.204 4.241 20 10 EICDMN Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])s1 ZINC000775685488 1053563218 /nfs/dbraw/zinc/56/32/18/1053563218.db2.gz OMJMFUHEEUQDTH-SECBINFHSA-N 0 1 328.840 4.451 20 10 EICDMN c1ccc(CC[C@@H](NCc2ccc3c(c2)CCO3)c2ccccn2)cc1 ZINC000865664566 1053568627 /nfs/dbraw/zinc/56/86/27/1053568627.db2.gz KQJKZBLXWTXVND-JOCHJYFZSA-N 0 1 344.458 4.480 20 10 EICDMN CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1cccc(Cl)c1[O-] ZINC000775705261 1053623331 /nfs/dbraw/zinc/62/33/31/1053623331.db2.gz IBDVYMPDVMVRMH-GOSISDBHSA-N 0 1 333.859 4.065 20 10 EICDMN CCN(Cc1ccccc1)c1ccc(CNCc2ccnn2CC)cc1 ZINC000853094076 1053642899 /nfs/dbraw/zinc/64/28/99/1053642899.db2.gz XJICREHHSFLCJS-UHFFFAOYSA-N 0 1 348.494 4.219 20 10 EICDMN Cc1cc([O-])c(C[NH2+]Cc2cnccc2C(F)(F)F)c(Cl)c1 ZINC000853095045 1053645086 /nfs/dbraw/zinc/64/50/86/1053645086.db2.gz GHYGGIWTIFVYHC-UHFFFAOYSA-N 0 1 330.737 4.058 20 10 EICDMN C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)[C@H](c2ccccc2)CO1 ZINC000775719617 1053682509 /nfs/dbraw/zinc/68/25/09/1053682509.db2.gz WFPNPBBBECFQHS-PXAZEXFGSA-N 0 1 335.806 4.147 20 10 EICDMN C[C@H]([NH2+]C[C@H]1CCC12CCOCC2)c1ccc2ccccc2c1[O-] ZINC000866530231 1053770412 /nfs/dbraw/zinc/77/04/12/1053770412.db2.gz ZGOJBYYTMCVXOD-DOTOQJQBSA-N 0 1 325.452 4.403 20 10 EICDMN C[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1cc(Br)ccc1[O-] ZINC000854225893 1053784447 /nfs/dbraw/zinc/78/44/47/1053784447.db2.gz MKOFOEDEWOCLJM-MGPLVRAMSA-N 0 1 347.256 4.075 20 10 EICDMN C[C@@H](NCc1ccc2c(c1)CCO2)c1sccc1Br ZINC000765609966 1053803984 /nfs/dbraw/zinc/80/39/84/1053803984.db2.gz SDXXXFLOTIXYJB-SNVBAGLBSA-N 0 1 338.270 4.296 20 10 EICDMN CC(=O)c1cc(F)cc(CN2CCC(c3ccsc3)CC2)c1O ZINC000776886024 1054070450 /nfs/dbraw/zinc/07/04/50/1054070450.db2.gz AQRCIHWCYNIHAG-UHFFFAOYSA-N 0 1 333.428 4.175 20 10 EICDMN CC(=O)c1cc(F)cc(C[NH+]2CCC(c3ccsc3)CC2)c1[O-] ZINC000776886024 1054070456 /nfs/dbraw/zinc/07/04/56/1054070456.db2.gz AQRCIHWCYNIHAG-UHFFFAOYSA-N 0 1 333.428 4.175 20 10 EICDMN Cc1nc(C(F)(F)F)c(CN[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775832300 1054104189 /nfs/dbraw/zinc/10/41/89/1054104189.db2.gz YGHBXVFTEBHJGB-JTQLQIEISA-N 0 1 343.418 4.387 20 10 EICDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](c2ccccc2C)C2CC2)c1[O-] ZINC000776020892 1054459971 /nfs/dbraw/zinc/45/99/71/1054459971.db2.gz BFJKOWVNCJRSOP-IBGZPJMESA-N 0 1 327.399 4.283 20 10 EICDMN CCCN(CCC)c1ccc(CN[C@H](C)c2nccnc2C)cc1 ZINC000873187945 1054506175 /nfs/dbraw/zinc/50/61/75/1054506175.db2.gz DFJRGUDALOMZEI-QGZVFWFLSA-N 0 1 326.488 4.262 20 10 EICDMN C[C@H](CCCC(F)(F)F)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825691762 1054588986 /nfs/dbraw/zinc/58/89/86/1054588986.db2.gz BBLNXACWFQMGIR-SECBINFHSA-N 0 1 340.183 4.365 20 10 EICDMN Cc1cc([O-])c(C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)cc1Cl ZINC000825715953 1054638548 /nfs/dbraw/zinc/63/85/48/1054638548.db2.gz KULLQLCVLDUXBV-SFHVURJKSA-N 0 1 333.859 4.203 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000776174802 1054802637 /nfs/dbraw/zinc/80/26/37/1054802637.db2.gz GRXZUXJQNNUYEC-HNNXBMFYSA-N 0 1 346.641 4.176 20 10 EICDMN Cc1cc([O-])c(C[NH2+][C@H](C)C[C@H](O)c2ccc(F)cc2)c(Cl)c1 ZINC001201788149 1054920784 /nfs/dbraw/zinc/92/07/84/1054920784.db2.gz VWMPWTVBVDZNNE-PXAZEXFGSA-N 0 1 337.822 4.095 20 10 EICDMN Cc1cc([O-])c(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)cc1Cl ZINC000825939642 1055029745 /nfs/dbraw/zinc/02/97/45/1055029745.db2.gz FAXOCIBWDQCWQM-INIZCTEOSA-N 0 1 340.250 4.221 20 10 EICDMN Cc1cccc(CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)n1 ZINC000127214428 1055353101 /nfs/dbraw/zinc/35/31/01/1055353101.db2.gz FLNHFSKHCZKEME-MRXNPFEDSA-N 0 1 327.447 4.370 20 10 EICDMN COc1cc(F)c([C@@H](C)NCc2ccc3c(c2)CCCO3)cc1OC ZINC000921744391 1056392618 /nfs/dbraw/zinc/39/26/18/1056392618.db2.gz UXLALDBCJGLQAK-CYBMUJFWSA-N 0 1 345.414 4.019 20 10 EICDMN COc1ccc2ccc(O)c(CN3CCOC[C@H]3c3ccccc3)c2c1 ZINC000743401509 1058980359 /nfs/dbraw/zinc/98/03/59/1058980359.db2.gz BHWSUXZCGAMVAK-NRFANRHFSA-N 0 1 349.430 4.128 20 10 EICDMN C[C@@H](NCc1ccc(F)cn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000766608758 1060661364 /nfs/dbraw/zinc/66/13/64/1060661364.db2.gz PVWFNTNDQVBCOU-CQSZACIVSA-N 0 1 331.410 4.201 20 10 EICDMN COc1ccc([C@H](C)[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000691427711 1060942849 /nfs/dbraw/zinc/94/28/49/1060942849.db2.gz FURBGMCSAZZGHO-NSHDSACASA-N 0 1 336.229 4.014 20 10 EICDMN CC[C@H]([NH2+]Cc1cccs1)c1cc(Br)ccc1[O-] ZINC000020139201 1054599129 /nfs/dbraw/zinc/59/91/29/1054599129.db2.gz NOSGFJJTRZURIH-ZDUSSCGKSA-N 0 1 326.259 4.457 20 10 EICDMN Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c(C)c1 ZINC000003360686 1018887478 /nfs/dbraw/zinc/88/74/78/1018887478.db2.gz COIMFDHBMYMNBB-UHFFFAOYSA-N 0 1 344.461 4.228 20 10 EICDMN CC[C@@H](N[C@@H](CC)c1nnc2n1CCCCC2)c1ccc(C)cc1O ZINC000279940466 1033008252 /nfs/dbraw/zinc/00/82/52/1033008252.db2.gz BFDWXUQYCIMNLW-SJORKVTESA-N 0 1 342.487 4.211 20 10 EICDMN COc1ccc(O)c(CN(Cc2cccc(C)c2)Cc2ccccn2)c1 ZINC000180053351 1022423797 /nfs/dbraw/zinc/42/37/97/1022423797.db2.gz LZZPLWXDFWJAMY-UHFFFAOYSA-N 0 1 348.446 4.307 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2Cc2ccccc2C)c1O ZINC001167433476 1022478749 /nfs/dbraw/zinc/47/87/49/1022478749.db2.gz FCPPWTDNYANREX-LJQANCHMSA-N 0 1 341.426 4.249 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2C)c1[O-] ZINC001167433476 1022478771 /nfs/dbraw/zinc/47/87/71/1022478771.db2.gz FCPPWTDNYANREX-LJQANCHMSA-N 0 1 341.426 4.249 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2Cc2ccccc2C)c1[O-] ZINC001167433476 1022478790 /nfs/dbraw/zinc/47/87/90/1022478790.db2.gz FCPPWTDNYANREX-LJQANCHMSA-N 0 1 341.426 4.249 20 10 EICDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CCCc2sccc21 ZINC000706834350 1022886585 /nfs/dbraw/zinc/88/65/85/1022886585.db2.gz ZGVHTFUSGXNHJG-CYBMUJFWSA-N 0 1 338.270 4.383 20 10 EICDMN C[C@H]([NH2+]CCCCNc1ccccn1)c1ccc2ccccc2c1[O-] ZINC000185325606 1023032399 /nfs/dbraw/zinc/03/23/99/1023032399.db2.gz PAOHGWWOGZZBIT-INIZCTEOSA-N 0 1 335.451 4.483 20 10 EICDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000707142126 1023492361 /nfs/dbraw/zinc/49/23/61/1023492361.db2.gz FZFLUCPSELXHRF-INIZCTEOSA-N 0 1 332.241 4.492 20 10 EICDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000707142126 1023492363 /nfs/dbraw/zinc/49/23/63/1023492363.db2.gz FZFLUCPSELXHRF-INIZCTEOSA-N 0 1 332.241 4.492 20 10 EICDMN [O-]c1ccc2oc3c(c2c1C[N@H+](C[C@H]1CCOC1)C1CC1)CCCC3 ZINC000123812133 1023666350 /nfs/dbraw/zinc/66/63/50/1023666350.db2.gz RLTLESXNOFRSDG-CQSZACIVSA-N 0 1 341.451 4.018 20 10 EICDMN [O-]c1ccc2oc3c(c2c1C[N@@H+](C[C@H]1CCOC1)C1CC1)CCCC3 ZINC000123812133 1023666353 /nfs/dbraw/zinc/66/63/53/1023666353.db2.gz RLTLESXNOFRSDG-CQSZACIVSA-N 0 1 341.451 4.018 20 10 EICDMN CC[C@H](c1ccccc1O)[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000364476377 1023813552 /nfs/dbraw/zinc/81/35/52/1023813552.db2.gz JKFFQXANFUMBQC-LJQANCHMSA-N 0 1 339.435 4.144 20 10 EICDMN CCN(C)c1ccc([C@@H](C)N[C@H](c2n[nH]c(C)n2)c2ccccc2)cc1 ZINC000162498491 1025146103 /nfs/dbraw/zinc/14/61/03/1025146103.db2.gz KSEGXMKDHWHSOS-QRWLVFNGSA-N 0 1 349.482 4.009 20 10 EICDMN C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1ccc2ccccc2c1[O-] ZINC000326689183 1025203095 /nfs/dbraw/zinc/20/30/95/1025203095.db2.gz QHFIFJOAZHGBBV-GOEBONIOSA-N 0 1 335.403 4.036 20 10 EICDMN CC[C@@H](N[C@H](C)c1nnc([C@@H](C)CC)[nH]1)c1ccc(N(C)C)cc1 ZINC000277358379 1025800931 /nfs/dbraw/zinc/80/09/31/1025800931.db2.gz WFKGMQPGKQODRC-JJRVBVJISA-N 0 1 329.492 4.186 20 10 EICDMN C[C@@]1(C[NH2+]Cc2cccc(Cl)c2[O-])CCN(Cc2ccccc2)C1 ZINC000310188942 1025847728 /nfs/dbraw/zinc/84/77/28/1025847728.db2.gz PPDUJNQGZPUWLB-FQEVSTJZSA-N 0 1 344.886 4.047 20 10 EICDMN CCNC(=O)Nc1ccc(C)c(N[C@@H](C)c2ccc(F)c(F)c2O)c1 ZINC000279406139 1026413237 /nfs/dbraw/zinc/41/32/37/1026413237.db2.gz DJZVAYNMUUAUHI-NSHDSACASA-N 0 1 349.381 4.293 20 10 EICDMN COc1ccc(N2CCCN(Cc3ccc(Cl)s3)CC2)cc1 ZINC000108091739 1026791085 /nfs/dbraw/zinc/79/10/85/1026791085.db2.gz OAQYWBWFWZJZKT-UHFFFAOYSA-N 0 1 336.888 4.122 20 10 EICDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])[C@@H](C)[C@H]1C ZINC000708074806 1026840697 /nfs/dbraw/zinc/84/06/97/1026840697.db2.gz GPHVAZXOTPYFLB-UTLUCORTSA-N 0 1 332.669 4.284 20 10 EICDMN C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000310651671 1027395977 /nfs/dbraw/zinc/39/59/77/1027395977.db2.gz VLJWTRISPUJYPV-KGLIPLIRSA-N 0 1 344.455 4.109 20 10 EICDMN CC[C@H](N[C@@H](C)c1nc(-c2ccc(F)cc2)no1)c1ccccc1O ZINC000367319098 1029352878 /nfs/dbraw/zinc/35/28/78/1029352878.db2.gz TZHVBSPCJYBVAJ-LRDDRELGSA-N 0 1 341.386 4.383 20 10 EICDMN Cc1ccc(N2CCC([NH2+][C@@H](C)c3cc(Cl)ccc3[O-])CC2)nc1 ZINC000185539359 1030201793 /nfs/dbraw/zinc/20/17/93/1030201793.db2.gz NDWCAPPNXATMTI-AWEZNQCLSA-N 0 1 345.874 4.069 20 10 EICDMN CC[C@@H]([NH2+]CC[C@H]1CCCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000527924169 1030919158 /nfs/dbraw/zinc/91/91/58/1030919158.db2.gz HJSRLAAQNMJIJA-IUODEOHRSA-N 0 1 331.378 4.268 20 10 EICDMN Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000375844173 1031346940 /nfs/dbraw/zinc/34/69/40/1031346940.db2.gz CDDRXCOBEDFTAA-HNNXBMFYSA-N 0 1 340.254 4.078 20 10 EICDMN C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccc(Cl)c(Cl)c1[O-] ZINC000273532012 1037498182 /nfs/dbraw/zinc/49/81/82/1037498182.db2.gz WMVXJBNXKWDWDY-PRHODGIISA-N 0 1 326.227 4.150 20 10 EICDMN Cc1ncsc1C[N@@H+](C)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000172495806 1038152133 /nfs/dbraw/zinc/15/21/33/1038152133.db2.gz IQPDYYBOUJBXBA-UHFFFAOYSA-N 0 1 342.464 4.414 20 10 EICDMN Cc1ncsc1C[N@H+](C)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000172495806 1038152154 /nfs/dbraw/zinc/15/21/54/1038152154.db2.gz IQPDYYBOUJBXBA-UHFFFAOYSA-N 0 1 342.464 4.414 20 10 EICDMN CC[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cc(Br)ccc1[O-] ZINC000159990600 1040302344 /nfs/dbraw/zinc/30/23/44/1040302344.db2.gz SQBVGTBXKBYEAI-GXTWGEPZSA-N 0 1 342.277 4.153 20 10 EICDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000715752210 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[O-]c1cc2c(cc1C[NH+]1CCC(n3ccnc3)CC1)oc1ccccc12 ZINC000738110110 1045041136 /nfs/dbraw/zinc/04/11/36/1045041136.db2.gz LDZBHBOWGJUGEZ-UHFFFAOYSA-N 0 1 347.418 4.325 20 10 EICDMN C[S@](=O)Cc1ccccc1NCc1cc(Cl)cc(Cl)c1O ZINC000762556356 1045291874 /nfs/dbraw/zinc/29/18/74/1045291874.db2.gz OEDITMDOEIXPJT-NRFANRHFSA-N 0 1 344.263 4.190 20 10 EICDMN CC[C@H]([NH2+][C@H]1CCc2cnn(C(C)C)c2C1)c1cc(Cl)ccc1[O-] ZINC000790695007 1045560206 /nfs/dbraw/zinc/56/02/06/1045560206.db2.gz CIHQSUYZQJITDI-RDJZCZTQSA-N 0 1 347.890 4.421 20 10 EICDMN [O-]c1ccc(Cl)c(F)c1CNc1cccc(CC[NH+]2CCCC2)c1 ZINC000790980874 1045665897 /nfs/dbraw/zinc/66/58/97/1045665897.db2.gz GLAQBZGUMSFXQF-UHFFFAOYSA-N 0 1 348.849 4.435 20 10 EICDMN Cc1ccc2ncc(CN(C)Cc3ccc(N4CCCCC4)cc3)n2c1 ZINC000768131210 1045723850 /nfs/dbraw/zinc/72/38/50/1045723850.db2.gz WOOIQHSJZCWOSI-UHFFFAOYSA-N 0 1 348.494 4.265 20 10 EICDMN CCN(Cc1cnc(C2CCC2)s1)Cc1ccc(N(C)C)cc1 ZINC000768134896 1045724762 /nfs/dbraw/zinc/72/47/62/1045724762.db2.gz 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Cc1ccc(O)c(CN2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1 ZINC000769307307 1045913949 /nfs/dbraw/zinc/91/39/49/1045913949.db2.gz GRRMPFCUMFSACT-SFHVURJKSA-N 0 1 349.434 4.478 20 10 EICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000769484561 1045972513 /nfs/dbraw/zinc/97/25/13/1045972513.db2.gz KSZXYZDVRIWMJZ-INIZCTEOSA-N 0 1 330.255 4.092 20 10 EICDMN Cc1cccc(NC2CC[NH+](Cc3c([O-])cccc3Cl)CC2)c1 ZINC000769470715 1045987163 /nfs/dbraw/zinc/98/71/63/1045987163.db2.gz OCTYYPNTPGGLRZ-UHFFFAOYSA-N 0 1 330.859 4.431 20 10 EICDMN Oc1c(Br)cccc1CN1CC[C@@H]1c1cccc(F)c1 ZINC000769506097 1046001293 /nfs/dbraw/zinc/00/12/93/1046001293.db2.gz AFVNNHKHCWQDNN-OAHLLOKOSA-N 0 1 336.204 4.241 20 10 EICDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@H]2c2cccc(F)c2)c1[O-] ZINC000769507846 1046001883 /nfs/dbraw/zinc/00/18/83/1046001883.db2.gz OYAHVSLNFPBAPM-AWEZNQCLSA-N 0 1 336.750 4.040 20 10 EICDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@H]2c2cccc(F)c2)c1[O-] ZINC000769507846 1046001898 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CCOc1ccc(CN[C@H](c2ccc(C)cc2)c2ccccn2)c(O)c1 ZINC000793249664 1046191859 /nfs/dbraw/zinc/19/18/59/1046191859.db2.gz HVLVEUQVOOBSKZ-JOCHJYFZSA-N 0 1 348.446 4.374 20 10 EICDMN Cn1c(=O)ccc2ccc(NCc3cc(Cl)cc(Cl)c3O)cc21 ZINC000785535381 1046704161 /nfs/dbraw/zinc/70/41/61/1046704161.db2.gz WZVPSKAUMCOTKS-UHFFFAOYSA-N 0 1 349.217 4.163 20 10 EICDMN CC[C@@H]([NH2+]CC[C@@H](OC)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000786953942 1046884063 /nfs/dbraw/zinc/88/40/63/1046884063.db2.gz PGCYSIHNRJWQKK-DGCLKSJQSA-N 0 1 325.758 4.054 20 10 EICDMN [O-]c1ccc2oc3c(c2c1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21)CCCC3 ZINC000917472974 1046898106 /nfs/dbraw/zinc/89/81/06/1046898106.db2.gz LNUHRHQDCYPHCH-LPHOPBHVSA-N 0 1 341.451 4.161 20 10 EICDMN [O-]c1ccc2oc3c(c2c1C[N@H+]1CCO[C@H]2CCCC[C@@H]21)CCCC3 ZINC000917472974 1046898108 /nfs/dbraw/zinc/89/81/08/1046898108.db2.gz LNUHRHQDCYPHCH-LPHOPBHVSA-N 0 1 341.451 4.161 20 10 EICDMN COc1ccccc1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806088406 1047114914 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342.247 4.108 20 10 EICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(Cl)cc1F ZINC000807835776 1047520133 /nfs/dbraw/zinc/52/01/33/1047520133.db2.gz KKOKPAKQZBHFHH-UHFFFAOYSA-N 0 1 348.588 4.422 20 10 EICDMN CC(C)(C(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccccc1 ZINC000807835958 1047523479 /nfs/dbraw/zinc/52/34/79/1047523479.db2.gz NUMWFCPOPDIKFT-UHFFFAOYSA-N 0 1 338.234 4.293 20 10 EICDMN OCc1cc2ccccc2nc1NCc1cc(Cl)cc(Cl)c1O ZINC000808090266 1047603360 /nfs/dbraw/zinc/60/33/60/1047603360.db2.gz WLRXLKNSLSNDCS-UHFFFAOYSA-N 0 1 349.217 4.352 20 10 EICDMN [O-]c1c(C[NH+]2CCC3(CCC(O)CC3)CC2)ccc2ccccc21 ZINC000824521055 1047878765 /nfs/dbraw/zinc/87/87/65/1047878765.db2.gz FDBMBWZEYWBLBY-UHFFFAOYSA-N 0 1 325.452 4.063 20 10 EICDMN CN1CCN(c2ccc(CNc3ccccc3C(C)(F)F)cc2)CC1 ZINC000824722301 1047913253 /nfs/dbraw/zinc/91/32/53/1047913253.db2.gz PRKIQZSSZNADNH-UHFFFAOYSA-N 0 1 345.437 4.162 20 10 EICDMN COC[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1cccc(Cl)c1 ZINC000808454875 1047921879 /nfs/dbraw/zinc/92/18/79/1047921879.db2.gz QHOAVQQBOXMDGT-OAHLLOKOSA-N 0 1 326.223 4.176 20 10 EICDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(N3CCCCC3)nc2)cc1Cl ZINC000825120869 1048039689 /nfs/dbraw/zinc/03/96/89/1048039689.db2.gz NOLKCTHEGDJVGJ-UHFFFAOYSA-N 0 1 345.874 4.029 20 10 EICDMN CC[C@@H](NCc1ncccc1OC)c1ccc(C(F)(F)F)cc1O ZINC000825250090 1048057373 /nfs/dbraw/zinc/05/73/73/1048057373.db2.gz UQJBJANHVXLZCB-CYBMUJFWSA-N 0 1 340.345 4.056 20 10 EICDMN CC(C)[C@@H](C[NH2+]Cc1ccc(Br)cc1[O-])c1cccnc1 ZINC000825330668 1048070012 /nfs/dbraw/zinc/07/00/12/1048070012.db2.gz CABZEDUFIXJHPF-MRXNPFEDSA-N 0 1 349.272 4.079 20 10 EICDMN C[C@H](NCc1cc2c(cc1Cl)OCCO2)c1ccc(N(C)C)cc1 ZINC000808748706 1048082359 /nfs/dbraw/zinc/08/23/59/1048082359.db2.gz YOFAZADBRSXRTF-ZDUSSCGKSA-N 0 1 346.858 4.028 20 10 EICDMN Cc1cc([O-])c(C[NH2+][C@H](C)C[C@H](O)c2cccs2)cc1Cl ZINC000825396563 1048086987 /nfs/dbraw/zinc/08/69/87/1048086987.db2.gz VBIIPCVFAOTIRL-ABAIWWIYSA-N 0 1 325.861 4.017 20 10 EICDMN CCN(CC)c1ccc(CN2CCC[C@H]2c2ccncc2)cc1F ZINC000809729345 1048477153 /nfs/dbraw/zinc/47/71/53/1048477153.db2.gz SMAAUBPNNUYEAT-IBGZPJMESA-N 0 1 327.447 4.404 20 10 EICDMN COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000809710980 1048491609 /nfs/dbraw/zinc/49/16/09/1048491609.db2.gz FLXPCJCJEBLPLD-OAHLLOKOSA-N 0 1 347.842 4.098 20 10 EICDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000809713177 1048491954 /nfs/dbraw/zinc/49/19/54/1048491954.db2.gz KXMYMNBVFZCPJF-UHFFFAOYSA-N 0 1 344.611 4.237 20 10 EICDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000809767781 1048502589 /nfs/dbraw/zinc/50/25/89/1048502589.db2.gz SYBMUMOXYSCENX-MRXNPFEDSA-N 0 1 341.842 4.060 20 10 EICDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000809767781 1048502602 /nfs/dbraw/zinc/50/26/02/1048502602.db2.gz SYBMUMOXYSCENX-MRXNPFEDSA-N 0 1 341.842 4.060 20 10 EICDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CCC12CCCCC2 ZINC001144293718 1048571452 /nfs/dbraw/zinc/57/14/52/1048571452.db2.gz RXFLMLBHXCUQFP-UHFFFAOYSA-N 0 1 328.225 4.202 20 10 EICDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001144306935 1048585130 /nfs/dbraw/zinc/58/51/30/1048585130.db2.gz XCEYDZSGAFZEEV-QMTHXVAHSA-N 0 1 328.225 4.058 20 10 EICDMN CC[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217695 1048685946 /nfs/dbraw/zinc/68/59/46/1048685946.db2.gz ABGDDRFATZKIPW-UKRRQHHQSA-N 0 1 345.386 4.247 20 10 EICDMN CC[C@@H]([NH2+]CCc1c(C)noc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810216906 1048686753 /nfs/dbraw/zinc/68/67/53/1048686753.db2.gz RNNNRUMCRDFAAF-OAHLLOKOSA-N 0 1 342.361 4.299 20 10 EICDMN CC[C@@H]([NH2+]Cc1cccc(CO)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217292 1048686784 /nfs/dbraw/zinc/68/67/84/1048686784.db2.gz ZYYXXMCQZBJNNT-MRXNPFEDSA-N 0 1 339.357 4.144 20 10 EICDMN CC[C@@H]([NH2+]C[C@H](O)c1ccc(C)o1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219983 1048688031 /nfs/dbraw/zinc/68/80/31/1048688031.db2.gz NXHTWRMZOFBINT-HIFRSBDPSA-N 0 1 343.345 4.087 20 10 EICDMN CC[C@H](NCc1ncc(C)s1)c1ccc(C(F)(F)F)cc1O ZINC000810220232 1048690344 /nfs/dbraw/zinc/69/03/44/1048690344.db2.gz SIFJANMDQFBLAG-LBPRGKRZSA-N 0 1 330.375 4.417 20 10 EICDMN CC[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(C(F)(F)F)cc1[O-] ZINC000810224724 1048692453 /nfs/dbraw/zinc/69/24/53/1048692453.db2.gz XGNBLRPUWQELOE-DLTWYDFYSA-N 0 1 343.389 4.409 20 10 EICDMN CC[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810226378 1048694215 /nfs/dbraw/zinc/69/42/15/1048694215.db2.gz FDHXEESWFNAKEQ-RISCZKNCSA-N 0 1 333.394 4.249 20 10 EICDMN CC[C@H](NCc1ncccc1F)c1ccc(C(F)(F)F)cc1O ZINC000810228621 1048695564 /nfs/dbraw/zinc/69/55/64/1048695564.db2.gz XPQYKRFOZAZVLA-ZDUSSCGKSA-N 0 1 328.309 4.186 20 10 EICDMN CC[C@H]([NH2+][C@@H](CC)[C@H]1CCCO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810229144 1048695594 /nfs/dbraw/zinc/69/55/94/1048695594.db2.gz SZWMJZJSVLAIQE-OFQRWUPVSA-N 0 1 331.378 4.409 20 10 EICDMN CC[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228867 1048696375 /nfs/dbraw/zinc/69/63/75/1048696375.db2.gz NAYQLKKWTYRYMX-HFAKWTLXSA-N 0 1 331.378 4.408 20 10 EICDMN CC[C@@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236798 1048718533 /nfs/dbraw/zinc/71/85/33/1048718533.db2.gz NKDSPLMMYBVATQ-ZIAGYGMSSA-N 0 1 343.345 4.168 20 10 EICDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000846105230 1048821877 /nfs/dbraw/zinc/82/18/77/1048821877.db2.gz RNUGCKOYQJLRSC-AWEZNQCLSA-N 0 1 346.215 4.084 20 10 EICDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000816502690 1048821955 /nfs/dbraw/zinc/82/19/55/1048821955.db2.gz LUELLWNNUWJANY-SFHVURJKSA-N 0 1 335.806 4.148 20 10 EICDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000816516223 1048822969 /nfs/dbraw/zinc/82/29/69/1048822969.db2.gz YITVQYPPZYKKGB-HNNXBMFYSA-N 0 1 349.833 4.223 20 10 EICDMN [O-]c1c(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)ccc2ccccc21 ZINC000816534970 1048825384 /nfs/dbraw/zinc/82/53/84/1048825384.db2.gz AQYLAIJIFAYRMI-QGZVFWFLSA-N 0 1 332.447 4.162 20 10 EICDMN CCN(CC)c1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cn1 ZINC000816534971 1048825930 /nfs/dbraw/zinc/82/59/30/1048825930.db2.gz ASFKFBNKEYAHEU-UHFFFAOYSA-N 0 1 335.451 4.076 20 10 EICDMN [O-]c1c(C[NH2+]CCc2cc(F)c(F)c(F)c2)ccc2ccccc21 ZINC000816566580 1048836406 /nfs/dbraw/zinc/83/64/06/1048836406.db2.gz ZMJBZWNHPBMYMU-UHFFFAOYSA-N 0 1 331.337 4.295 20 10 EICDMN Cc1cc(C[N@@H+](CC(=O)[O-])C2CCCCC2)ccc1N1CCCCC1 ZINC000846272761 1048851668 /nfs/dbraw/zinc/85/16/68/1048851668.db2.gz MXSPABDPXXUINH-UHFFFAOYSA-N 0 1 344.499 4.205 20 10 EICDMN Cc1nc(C(C)C)oc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000816682061 1048853632 /nfs/dbraw/zinc/85/36/32/1048853632.db2.gz NROUXLHJCXIQQN-UHFFFAOYSA-N 0 1 343.210 4.049 20 10 EICDMN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(Cl)c(O)c2)cc1 ZINC001135946373 1049003303 /nfs/dbraw/zinc/00/33/03/1049003303.db2.gz PWWBCRRFKHGLKV-UHFFFAOYSA-N 0 1 346.858 4.164 20 10 EICDMN CC[C@H]([NH2+]CCc1ccc(N)cc1)c1cc(Br)ccc1[O-] ZINC000817958838 1049066194 /nfs/dbraw/zinc/06/61/94/1049066194.db2.gz ZLXGTVLREQOTJA-INIZCTEOSA-N 0 1 349.272 4.020 20 10 EICDMN C[C@H]([NH2+]C[C@H]1NCCc2ccccc21)c1ccc2ccccc2c1[O-] ZINC000817975857 1049075236 /nfs/dbraw/zinc/07/52/36/1049075236.db2.gz YRQUFUREPFISED-YCRPNKLZSA-N 0 1 332.447 4.083 20 10 EICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000811518028 1049103647 /nfs/dbraw/zinc/10/36/47/1049103647.db2.gz DKEIITWTMUDZTA-ZBFHGGJFSA-N 0 1 342.266 4.233 20 10 EICDMN COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1cccc(Cl)c1[O-])C2 ZINC000811518601 1049107060 /nfs/dbraw/zinc/10/70/60/1049107060.db2.gz MINJWHOURFHEQH-UHFFFAOYSA-N 0 1 329.827 4.102 20 10 EICDMN [O-]c1cc2ccccc2cc1C[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171351079 1049505877 /nfs/dbraw/zinc/50/58/77/1049505877.db2.gz RCBDSPBKUOCRIH-GOSISDBHSA-N 0 1 339.385 4.471 20 10 EICDMN C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1cc(Cl)ccc1[O-] ZINC000812736915 1049557735 /nfs/dbraw/zinc/55/77/35/1049557735.db2.gz PYOXHWWSKPLXRN-UONOGXRCSA-N 0 1 348.849 4.362 20 10 EICDMN C[C@@H](NCc1cc(F)ccc1O)c1ccc(C(F)(F)F)nc1Cl ZINC000820846549 1049567685 /nfs/dbraw/zinc/56/76/85/1049567685.db2.gz HUCXLBYEORKINW-MRVPVSSYSA-N 0 1 348.727 4.449 20 10 EICDMN CCCn1c(CN[C@@H](C)c2cc(OC)ccc2O)nc2ccccc21 ZINC000813331809 1049753374 /nfs/dbraw/zinc/75/33/74/1049753374.db2.gz VNHRXYXBHVJJJB-AWEZNQCLSA-N 0 1 339.439 4.011 20 10 EICDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(Br)cc2)c(Cl)c1 ZINC001177511544 1050233369 /nfs/dbraw/zinc/23/33/69/1050233369.db2.gz YDSDAHYMHUBQKU-UHFFFAOYSA-N 0 1 340.648 4.406 20 10 EICDMN COc1c([O-])c(C[N@H+]2CCCC[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000775069759 1050460727 /nfs/dbraw/zinc/46/07/27/1050460727.db2.gz SVXGJSLPMXDUTP-INIZCTEOSA-N 0 1 342.395 4.036 20 10 EICDMN C[C@@H]1SCC[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@@H]1c1ccccc1 ZINC001179938942 1050823316 /nfs/dbraw/zinc/82/33/16/1050823316.db2.gz ZVGHYZKCEIHGTG-SJCJKPOMSA-N 0 1 335.419 4.349 20 10 EICDMN CCCOc1ccc2c(c1)CCN(Cc1ccc(Cl)cc1O)C2 ZINC001179979475 1050839678 /nfs/dbraw/zinc/83/96/78/1050839678.db2.gz GKFKAPIWHNXYCG-UHFFFAOYSA-N 0 1 331.843 4.393 20 10 EICDMN Nc1ccc(CCc2ccc(Nc3ccc4nccn4c3)cc2)cc1 ZINC001174278333 1050877263 /nfs/dbraw/zinc/87/72/63/1050877263.db2.gz ACWQNGXOSBQXHF-UHFFFAOYSA-N 0 1 328.419 4.445 20 10 EICDMN [O-]c1c(F)cc(Cl)cc1C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC001180175480 1050895139 /nfs/dbraw/zinc/89/51/39/1050895139.db2.gz VGICUWFMJJIMNF-QGZVFWFLSA-N 0 1 349.833 4.366 20 10 EICDMN COc1ccccc1[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001180189742 1050922278 /nfs/dbraw/zinc/92/22/78/1050922278.db2.gz VRKFLFAHTRWSSR-KRWDZBQOSA-N 0 1 333.378 4.406 20 10 EICDMN CCC1(CC)CC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC001180267300 1050941973 /nfs/dbraw/zinc/94/19/73/1050941973.db2.gz SUWXKMKLGXTTOP-UHFFFAOYSA-N 0 1 326.278 4.475 20 10 EICDMN C[N@@H+](CCOc1cccc(Cl)c1)Cc1cc(Cl)c(F)cc1[O-] ZINC001180437662 1050990166 /nfs/dbraw/zinc/99/01/66/1050990166.db2.gz OOGSITDYBMUENK-UHFFFAOYSA-N 0 1 344.213 4.349 20 10 EICDMN CCN(C)c1ccc(CNC(C)(C)c2nc3ccccc3n2C)cc1 ZINC000773857630 1050994617 /nfs/dbraw/zinc/99/46/17/1050994617.db2.gz KZBBCUGJRMENHV-UHFFFAOYSA-N 0 1 336.483 4.054 20 10 EICDMN CCCOc1ccc(CNCc2nc3cc(C)ccc3n2C)cc1C ZINC001181066048 1051140021 /nfs/dbraw/zinc/14/00/21/1051140021.db2.gz QMEPMTXLTVXFFO-UHFFFAOYSA-N 0 1 337.467 4.269 20 10 EICDMN CC(=O)c1cc(F)cc(C[NH+]2CCC(c3ccccc3)CC2)c1[O-] ZINC001190318057 1051148866 /nfs/dbraw/zinc/14/88/66/1051148866.db2.gz KBDRECVFJZJRRA-UHFFFAOYSA-N 0 1 327.399 4.114 20 10 EICDMN COc1ccc(O)c([C@H](C)NCc2csc(-c3ccc(C)o3)n2)c1 ZINC000775375047 1051161893 /nfs/dbraw/zinc/16/18/93/1051161893.db2.gz HZQBWWLEFOQNKE-LBPRGKRZSA-N 0 1 344.436 4.277 20 10 EICDMN COc1cc(Cl)cc(CN2CC[C@@](F)(c3ccccc3)C2)c1O ZINC001181214268 1051186765 /nfs/dbraw/zinc/18/67/65/1051186765.db2.gz UIPAFDAMGBTSMS-SFHVURJKSA-N 0 1 335.806 4.125 20 10 EICDMN CN(C)Cc1cc(NCc2ccc(Cl)cc2O)ccc1Cl ZINC001181255724 1051200772 /nfs/dbraw/zinc/20/07/72/1051200772.db2.gz NXNJHLRZOBRPED-UHFFFAOYSA-N 0 1 325.239 4.373 20 10 EICDMN CC[C@@H]([NH2+]Cc1ccc(Cl)cc1[O-])c1ccc(OC)c(OC)c1 ZINC001181656554 1051272754 /nfs/dbraw/zinc/27/27/54/1051272754.db2.gz SJWPSNLUNGADPY-OAHLLOKOSA-N 0 1 335.831 4.304 20 10 EICDMN CCCN1CCC([NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])CC1 ZINC000774110615 1051458777 /nfs/dbraw/zinc/45/87/77/1051458777.db2.gz FBXCKMRKZPGCQB-NSHDSACASA-N 0 1 331.287 4.224 20 10 EICDMN CC[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1cc(Cl)ccc1[O-] ZINC000775487024 1051560349 /nfs/dbraw/zinc/56/03/49/1051560349.db2.gz GCKRSAIIKKXFIS-SFHVURJKSA-N 0 1 341.842 4.472 20 10 EICDMN CC[C@@H]([NH2+]CCc1cccc(OC)c1OC)c1cc(Cl)ccc1[O-] ZINC000775491285 1051571315 /nfs/dbraw/zinc/57/13/15/1051571315.db2.gz HMUILYLALHVJDK-MRXNPFEDSA-N 0 1 349.858 4.346 20 10 EICDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC001182460627 1051592987 /nfs/dbraw/zinc/59/29/87/1051592987.db2.gz AKTMAVRDQWEUAF-SECBINFHSA-N 0 1 325.733 4.349 20 10 EICDMN CC[C@@H]([NH2+]Cc1cccc(OC)c1OC)c1cc(Cl)ccc1[O-] ZINC000775493893 1051601167 /nfs/dbraw/zinc/60/11/67/1051601167.db2.gz WHBPMGGXOOKECM-OAHLLOKOSA-N 0 1 335.831 4.304 20 10 EICDMN CC[C@@H]([NH2+]Cc1cn2cc(C)ccc2n1)c1cc(Cl)ccc1[O-] ZINC000775497681 1051617328 /nfs/dbraw/zinc/61/73/28/1051617328.db2.gz BUOLYGDVHIGCPS-MRXNPFEDSA-N 0 1 329.831 4.243 20 10 EICDMN CC[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](=O)CC)C1)c1cc(Cl)ccc1[O-] ZINC000775513480 1051650526 /nfs/dbraw/zinc/65/05/26/1051650526.db2.gz ZQEAVCGDRNCCBO-UWAQFDASSA-N 0 1 343.920 4.166 20 10 EICDMN CN(C)c1ccc(CN2CCC3(CC3(F)F)CC2)c(C(F)(F)F)c1 ZINC001182755510 1051685568 /nfs/dbraw/zinc/68/55/68/1051685568.db2.gz SGZGUEBUBMCPAA-UHFFFAOYSA-N 0 1 348.359 4.393 20 10 EICDMN C[C@H]1C[N@H+](Cc2ccc(Br)cc2[O-])CCc2ccccc21 ZINC001182734172 1051691483 /nfs/dbraw/zinc/69/14/83/1051691483.db2.gz PFDBOIZBJYXGHL-ZDUSSCGKSA-N 0 1 346.268 4.317 20 10 EICDMN C[C@H]1C[N@@H+](Cc2ccc(Br)cc2[O-])CCc2ccccc21 ZINC001182734172 1051691490 /nfs/dbraw/zinc/69/14/90/1051691490.db2.gz PFDBOIZBJYXGHL-ZDUSSCGKSA-N 0 1 346.268 4.317 20 10 EICDMN CC[C@H]([NH2+]CCC[C@@H]1CCCC[C@H]1O)c1cc(Cl)ccc1[O-] ZINC000775522503 1051694737 /nfs/dbraw/zinc/69/47/37/1051694737.db2.gz RIURVKIXFAWGAE-RRQGHBQHSA-N 0 1 325.880 4.418 20 10 EICDMN CC[C@H]([NH2+][C@@H](CC)[C@H]1CCCO1)c1cc(Br)ccc1[O-] ZINC000775525182 1051706876 /nfs/dbraw/zinc/70/68/76/1051706876.db2.gz YFWOLDRMPHIMAH-OFQRWUPVSA-N 0 1 342.277 4.153 20 10 EICDMN CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cc(Cl)ccc1[O-] ZINC000775540538 1051790985 /nfs/dbraw/zinc/79/09/85/1051790985.db2.gz LQPUUXCEINPNDP-OXXUSNJHSA-N 0 1 335.875 4.434 20 10 EICDMN CC(C)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)c1ccccc1 ZINC001193626365 1051957232 /nfs/dbraw/zinc/95/72/32/1051957232.db2.gz VKVOVWRKQWWWDU-HNNXBMFYSA-N 0 1 333.815 4.268 20 10 EICDMN CCc1cccnc1[C@H](C)NCc1ccc(N2CCSCC2)cc1 ZINC000780714307 1052164495 /nfs/dbraw/zinc/16/44/95/1052164495.db2.gz RHAHEWAMXMETCQ-INIZCTEOSA-N 0 1 341.524 4.048 20 10 EICDMN CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])c1 ZINC000185177383 1052511350 /nfs/dbraw/zinc/51/13/50/1052511350.db2.gz ZGTDMCKTIFWWDX-HNNXBMFYSA-N 0 1 348.446 4.146 20 10 EICDMN C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000185836766 1052778151 /nfs/dbraw/zinc/77/81/51/1052778151.db2.gz BFLLBZGGWRJWJM-GLJUWKHASA-N 0 1 325.408 4.301 20 10 EICDMN C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc2ccccc2c1[O-] ZINC000186080195 1052864533 /nfs/dbraw/zinc/86/45/33/1052864533.db2.gz YDLOQKACEHCUNZ-HNNXBMFYSA-N 0 1 332.403 4.147 20 10 EICDMN [O-]c1ccc(Br)cc1C[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000850391075 1053157921 /nfs/dbraw/zinc/15/79/21/1053157921.db2.gz CXIYAYUKVJXHMF-UHFFFAOYSA-N 0 1 346.215 4.212 20 10 EICDMN CC[C@@H]([NH2+]CCc1cnccc1C)c1cc(Br)ccc1[O-] ZINC000850505877 1053262609 /nfs/dbraw/zinc/26/26/09/1053262609.db2.gz BXOMRMGPFFSGAM-MRXNPFEDSA-N 0 1 349.272 4.142 20 10 EICDMN CCN(C)c1ccc([C@@H](C)NCc2cc(OC)ccc2OC)cc1 ZINC000764750236 1053290891 /nfs/dbraw/zinc/29/08/91/1053290891.db2.gz XSOVTITWHYLQLB-OAHLLOKOSA-N 0 1 328.456 4.011 20 10 EICDMN C[C@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1cc(Br)ccc1[O-] ZINC000850543273 1053303813 /nfs/dbraw/zinc/30/38/13/1053303813.db2.gz HDPBPQQXAWWXGK-MGPLVRAMSA-N 0 1 348.240 4.198 20 10 EICDMN CC[C@@H]([NH2+]CC1CCC(O)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850552967 1053305904 /nfs/dbraw/zinc/30/59/04/1053305904.db2.gz QWDKSYNJTJXSBO-ABIUDSBCSA-N 0 1 331.378 4.003 20 10 EICDMN CC[C@H]([NH2+]CC1CCC(O)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850552971 1053308085 /nfs/dbraw/zinc/30/80/85/1053308085.db2.gz QWDKSYNJTJXSBO-HGMXIMQMSA-N 0 1 331.378 4.003 20 10 EICDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000775647587 1053341160 /nfs/dbraw/zinc/34/11/60/1053341160.db2.gz YRGMKBMLORQTKJ-MRXNPFEDSA-N 0 1 345.826 4.154 20 10 EICDMN Oc1c(Cl)cccc1CN1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000775654987 1053397284 /nfs/dbraw/zinc/39/72/84/1053397284.db2.gz SPPZHEAYSXGTCC-UHFFFAOYSA-N 0 1 330.790 4.224 20 10 EICDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000775670453 1053466504 /nfs/dbraw/zinc/46/65/04/1053466504.db2.gz ZHKNVSWIBVLXFO-HKUYNNGSSA-N 0 1 331.843 4.134 20 10 EICDMN CN(Cc1ccc(N2CCCCC2)cc1)Cc1cnc2ccccc2n1 ZINC000851717320 1053507320 /nfs/dbraw/zinc/50/73/20/1053507320.db2.gz WQBULJIHRUYFPD-UHFFFAOYSA-N 0 1 346.478 4.252 20 10 EICDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000775733772 1053713103 /nfs/dbraw/zinc/71/31/03/1053713103.db2.gz HZVCNXDTSVVVLH-GOSISDBHSA-N 0 1 345.870 4.269 20 10 EICDMN C[C@@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1ccc2ccccc2c1[O-] ZINC000866530234 1053769791 /nfs/dbraw/zinc/76/97/91/1053769791.db2.gz ZGOJBYYTMCVXOD-WBVHZDCISA-N 0 1 325.452 4.403 20 10 EICDMN CCN(C)c1ccc([C@@H](C)NCc2ccc(Br)cn2)cc1 ZINC000866569507 1053791582 /nfs/dbraw/zinc/79/15/82/1053791582.db2.gz WMLBCBNDEMYBTL-CYBMUJFWSA-N 0 1 348.288 4.151 20 10 EICDMN Clc1ccc2c(c1)[C@H](NCc1ccc3c(c1)CCO3)CCCO2 ZINC000765607930 1053803075 /nfs/dbraw/zinc/80/30/75/1053803075.db2.gz FTNBNWVEAICKSG-QGZVFWFLSA-N 0 1 329.827 4.278 20 10 EICDMN CN(c1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1)C1CCCCC1 ZINC000857851132 1054371690 /nfs/dbraw/zinc/37/16/90/1054371690.db2.gz IDFHPZMNUYUPJP-HXUWFJFHSA-N 0 1 338.499 4.346 20 10 EICDMN C[C@H]1C[C@H]1c1ccc(CNCc2c(O)cccc2Br)o1 ZINC000858100807 1054417284 /nfs/dbraw/zinc/41/72/84/1054417284.db2.gz NOUFQTSUBUHMEV-CMPLNLGQSA-N 0 1 336.229 4.161 20 10 EICDMN CN(C)c1cc(F)c(CN[C@H]2CCCOc3ccccc32)cc1F ZINC000858118859 1054420646 /nfs/dbraw/zinc/42/06/46/1054420646.db2.gz INKDBBUULVENKK-KRWDZBQOSA-N 0 1 332.394 4.034 20 10 EICDMN CCCOc1ccc(CNCc2c(C3CCC3)cnn2C)cc1C ZINC000873139024 1054492665 /nfs/dbraw/zinc/49/26/65/1054492665.db2.gz ZVPAUKDBHMLNBX-UHFFFAOYSA-N 0 1 327.472 4.075 20 10 EICDMN Cc1cc(O)c(CNCc2ccsc2Br)cc1C ZINC000282209859 1054619931 /nfs/dbraw/zinc/61/99/31/1054619931.db2.gz JAEJEDYPRWUPAN-UHFFFAOYSA-N 0 1 326.259 4.123 20 10 EICDMN COc1cc(CN(C)Cc2cnccc2C)c(O)c(C(C)(C)C)c1 ZINC000825749255 1054723652 /nfs/dbraw/zinc/72/36/52/1054723652.db2.gz POUYCPZLOWXHIJ-UHFFFAOYSA-N 0 1 328.456 4.034 20 10 EICDMN CC(=O)N(Cc1ccc(NCc2ccc(F)c(F)c2O)cc1)C(C)C ZINC000876862599 1054974602 /nfs/dbraw/zinc/97/46/02/1054974602.db2.gz QTIBQWDYLAPAFK-UHFFFAOYSA-N 0 1 348.393 4.039 20 10 EICDMN CC(C)([NH2+]Cc1ccc(Br)cc1[O-])c1ccccc1F ZINC000825986546 1055093582 /nfs/dbraw/zinc/09/35/82/1055093582.db2.gz GVBATZITESKVID-UHFFFAOYSA-N 0 1 338.220 4.319 20 10 EICDMN Oc1ccccc1CN1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC001203557084 1055225611 /nfs/dbraw/zinc/22/56/11/1055225611.db2.gz ZBIWBZNEGYUOOE-UHFFFAOYSA-N 0 1 337.250 4.021 20 10 EICDMN CCN(C)c1ccc([C@@H](C)NCc2cn3cc(Cl)ccc3n2)cc1 ZINC000131552461 1055344493 /nfs/dbraw/zinc/34/44/93/1055344493.db2.gz UKVYFHQIAAUTKB-CQSZACIVSA-N 0 1 342.874 4.295 20 10 EICDMN C[C@@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1cc(Cl)ccc1[O-] ZINC000765821090 1055667300 /nfs/dbraw/zinc/66/73/00/1055667300.db2.gz YSMIPOPTMNRYAE-PIGZYNQJSA-N 0 1 340.250 4.257 20 10 EICDMN Cc1ccccc1[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)[C@H](C)CO1 ZINC000742167991 1058528157 /nfs/dbraw/zinc/52/81/57/1058528157.db2.gz JBGAQWJYQCMHNI-ZHRRBRCNSA-N 0 1 348.446 4.211 20 10 EICDMN Cc1ccccc1[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)[C@H](C)CO1 ZINC000742167991 1058528176 /nfs/dbraw/zinc/52/81/76/1058528176.db2.gz JBGAQWJYQCMHNI-ZHRRBRCNSA-N 0 1 348.446 4.211 20 10 EICDMN O=C(Nc1cccc(N2CCCCCC2)c1)c1cccc2cn[nH]c21 ZINC000740847267 1061070553 /nfs/dbraw/zinc/07/05/53/1061070553.db2.gz FGTCWBYIHZEDEO-UHFFFAOYSA-N 0 1 334.423 4.196 20 10 EICDMN CCCCOCC[NH2+][C@@H](CC)c1cc(Br)ccc1[O-] ZINC000040506382 1023370913 /nfs/dbraw/zinc/37/09/13/1023370913.db2.gz OGDRSJOEHJTZDU-AWEZNQCLSA-N 0 1 330.266 4.012 20 10 EICDMN COc1cccc(CNCc2cc(C)n(-c3cccc(C)c3)c2C)n1 ZINC000729682928 1032145920 /nfs/dbraw/zinc/14/59/20/1032145920.db2.gz JAAIYZUQKVSBNQ-UHFFFAOYSA-N 0 1 335.451 4.096 20 10 EICDMN C[C@@H]([NH2+][C@H](CN(C)C)c1ccc(F)cc1)c1ccc(Cl)cc1[O-] ZINC000841759544 1032551314 /nfs/dbraw/zinc/55/13/14/1032551314.db2.gz ZOFVOXLRSAVAED-SJKOYZFVSA-N 0 1 336.838 4.138 20 10 EICDMN Cc1cn2c(n1)[C@@H](C[NH2+][C@@H](C)c1ccc3ccccc3c1[O-])CCC2 ZINC000363867432 1022871512 /nfs/dbraw/zinc/87/15/12/1022871512.db2.gz QJFJFFHTNVFXQF-DOTOQJQBSA-N 0 1 335.451 4.279 20 10 EICDMN C[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000185443488 1023043122 /nfs/dbraw/zinc/04/31/22/1023043122.db2.gz WRCHZOWVGVFCCM-HNNXBMFYSA-N 0 1 334.419 4.225 20 10 EICDMN C[C@@H]([NH2+]CCCOCC1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000185520279 1023049252 /nfs/dbraw/zinc/04/92/52/1023049252.db2.gz UJXJLCPWULWVEA-MRXNPFEDSA-N 0 1 343.467 4.029 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1ccc(Br)cc1 ZINC000311789900 1023257130 /nfs/dbraw/zinc/25/71/30/1023257130.db2.gz ZZLVNLWLYCAQTL-UHFFFAOYSA-N 0 1 340.648 4.140 20 10 EICDMN CCN(C)c1ccc([C@@H](C)N[C@H]2CCOc3c(F)cccc32)cc1 ZINC000188054880 1023314813 /nfs/dbraw/zinc/31/48/13/1023314813.db2.gz CNFOANGJIOAKDV-KUHUBIRLSA-N 0 1 328.431 4.456 20 10 EICDMN C[C@H](NCc1cc(Cl)ccc1O)c1nccn1-c1ccccc1 ZINC000377355396 1023483386 /nfs/dbraw/zinc/48/33/86/1023483386.db2.gz VMYSECLBSSHGRM-ZDUSSCGKSA-N 0 1 327.815 4.082 20 10 EICDMN [O-]c1cccc(Br)c1C[N@@H+]1CCCc2ccccc2C1 ZINC000707144170 1023490411 /nfs/dbraw/zinc/49/04/11/1023490411.db2.gz ZPBWAEIZGMHPTN-UHFFFAOYSA-N 0 1 332.241 4.103 20 10 EICDMN [O-]c1cccc(Br)c1C[N@H+]1CCCc2ccccc2C1 ZINC000707144170 1023490419 /nfs/dbraw/zinc/49/04/19/1023490419.db2.gz ZPBWAEIZGMHPTN-UHFFFAOYSA-N 0 1 332.241 4.103 20 10 EICDMN CC[C@H](C)c1nnc([C@H](C)N[C@@H](C)c2cc3c(cc2O)CCCC3)[nH]1 ZINC000277070913 1025020530 /nfs/dbraw/zinc/02/05/30/1025020530.db2.gz DVNGDOSOFXLMCQ-IHRRRGAJSA-N 0 1 342.487 4.314 20 10 EICDMN CC[C@H](C)c1nnc([C@@H](C)N[C@H](C)c2cc3c(cc2O)CCCC3)[nH]1 ZINC000277070903 1025021019 /nfs/dbraw/zinc/02/10/19/1025021019.db2.gz DVNGDOSOFXLMCQ-BFHYXJOUSA-N 0 1 342.487 4.314 20 10 EICDMN CC[C@H](C)c1nnc([C@@H](C)N[C@@H](C)c2cc3c(cc2O)CCCC3)[nH]1 ZINC000277070923 1025022132 /nfs/dbraw/zinc/02/21/32/1025022132.db2.gz DVNGDOSOFXLMCQ-MELADBBJSA-N 0 1 342.487 4.314 20 10 EICDMN COc1cc(F)c([C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000168553761 1026191156 /nfs/dbraw/zinc/19/11/56/1026191156.db2.gz KCXUGLTVKHVGMC-UONOGXRCSA-N 0 1 346.446 4.321 20 10 EICDMN C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc2ccccc2c1[O-] ZINC000278428683 1029201001 /nfs/dbraw/zinc/20/10/01/1029201001.db2.gz JFWKZJAYQUODMB-NSHDSACASA-N 0 1 345.336 4.113 20 10 EICDMN CCOc1ccc(C[NH2+]Cc2c([O-])cc(C)cc2Cl)cc1OC ZINC000840876702 1029708672 /nfs/dbraw/zinc/70/86/72/1029708672.db2.gz SVBAFXOXBFRMMW-UHFFFAOYSA-N 0 1 335.831 4.051 20 10 EICDMN [O-]c1ccc2ccccc2c1C[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000192375060 1030690539 /nfs/dbraw/zinc/69/05/39/1030690539.db2.gz UHONMNSOTNHLCY-AVRDEDQJSA-N 0 1 333.431 4.413 20 10 EICDMN COc1cccc([C@H](C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])OC)c1 ZINC000527932770 1030976552 /nfs/dbraw/zinc/97/65/52/1030976552.db2.gz YUDGCGNRUHNCQR-XIKOKIGWSA-N 0 1 335.831 4.093 20 10 EICDMN COc1ccc([C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C2CC2)cn1 ZINC000528042263 1031060461 /nfs/dbraw/zinc/06/04/61/1031060461.db2.gz CPUHMWGAWVTTCE-BBATYDOGSA-N 0 1 332.831 4.251 20 10 EICDMN COc1ccc(O)c([C@H](C)NCc2cc(F)c(Cl)cc2F)c1 ZINC000278787191 1031303802 /nfs/dbraw/zinc/30/38/02/1031303802.db2.gz MAAOHIORSOEHBW-VIFPVBQESA-N 0 1 327.758 4.183 20 10 EICDMN C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccc([S@@](C)=O)cc1 ZINC000273516838 1037490820 /nfs/dbraw/zinc/49/08/20/1037490820.db2.gz SRWUVYRTBXTLMR-YEZLUTFDSA-N 0 1 337.872 4.195 20 10 EICDMN C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccc(Cl)c(Cl)c1[O-] ZINC000273532019 1037496446 /nfs/dbraw/zinc/49/64/46/1037496446.db2.gz WMVXJBNXKWDWDY-UFBFGSQYSA-N 0 1 326.227 4.150 20 10 EICDMN C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccc(Cl)c(Cl)c1[O-] ZINC000273532008 1037498400 /nfs/dbraw/zinc/49/84/00/1037498400.db2.gz WMVXJBNXKWDWDY-PELKAZGASA-N 0 1 326.227 4.150 20 10 EICDMN C[C@@H]([NH2+][C@H]1CCc2c1cccc2O)c1cc(Br)ccc1[O-] ZINC000273608670 1037522380 /nfs/dbraw/zinc/52/23/80/1037522380.db2.gz VBLZKOYUCVFWRB-BMIGLBTASA-N 0 1 348.240 4.198 20 10 EICDMN C[C@H]([NH2+]C[C@H]1CCCCS1)c1cc(Br)ccc1[O-] ZINC000757657288 1039872596 /nfs/dbraw/zinc/87/25/96/1039872596.db2.gz KZSFOVYLEBTZSD-CMPLNLGQSA-N 0 1 330.291 4.091 20 10 EICDMN CC[C@@H]([NH2+]C[C@H](C)CC(F)F)c1cc(Br)ccc1[O-] ZINC000697702756 1040231195 /nfs/dbraw/zinc/23/11/95/1040231195.db2.gz WVFJORJHRCAHQR-BXKDBHETSA-N 0 1 336.220 4.487 20 10 EICDMN C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1nc(C(C)(C)C)no1 ZINC000174663479 1040684051 /nfs/dbraw/zinc/68/40/51/1040684051.db2.gz UBBHTQHGHWCNNR-MRVPVSSYSA-N 0 1 344.242 4.230 20 10 EICDMN C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000760042731 1042938002 /nfs/dbraw/zinc/93/80/02/1042938002.db2.gz XNMXHZKWKBGVHD-KHDYIWLOSA-N 0 1 349.833 4.002 20 10 EICDMN CCCN(Cc1nc(-c2ccc(C)cc2)no1)Cc1ccccc1O ZINC000727831102 1043312911 /nfs/dbraw/zinc/31/29/11/1043312911.db2.gz IKIPIAGHZHPHSK-UHFFFAOYSA-N 0 1 337.423 4.163 20 10 EICDMN Cc1cc(Br)c(F)cc1NCc1ccc(F)c(F)c1O ZINC000700766432 1043615779 /nfs/dbraw/zinc/61/57/79/1043615779.db2.gz XKUINNLZWGUAQQ-UHFFFAOYSA-N 0 1 346.146 4.493 20 10 EICDMN CC1CCN(c2ccc(CNCc3nn(C)c4ccccc34)cc2)CC1 ZINC000731041552 1043681652 /nfs/dbraw/zinc/68/16/52/1043681652.db2.gz GKAWZJJDKFBYAU-UHFFFAOYSA-N 0 1 348.494 4.099 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH2+]CCSCc1ccccc1F ZINC000733322970 1044183590 /nfs/dbraw/zinc/18/35/90/1044183590.db2.gz HHCVCVOALMGPDH-UHFFFAOYSA-N 0 1 325.836 4.208 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1ccccc1C(F)(F)F ZINC000733325479 1044191571 /nfs/dbraw/zinc/19/15/71/1044191571.db2.gz OHBLTWHHRXSHNF-UHFFFAOYSA-N 0 1 329.749 4.397 20 10 EICDMN COc1cccc([C@H](C)[NH2+]Cc2c([O-])cccc2Br)c1 ZINC000706830289 1044782368 /nfs/dbraw/zinc/78/23/68/1044782368.db2.gz NIILGFFCKXKHGP-NSHDSACASA-N 0 1 336.229 4.014 20 10 EICDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CSc2ccccc21 ZINC000735508940 1044830454 /nfs/dbraw/zinc/83/04/54/1044830454.db2.gz RHIKXRPCBSWJMF-CYBMUJFWSA-N 0 1 336.254 4.091 20 10 EICDMN CC1CCN(c2cccc(NC(=O)c3cccc4cn[nH]c43)c2)CC1 ZINC000739754534 1045167036 /nfs/dbraw/zinc/16/70/36/1045167036.db2.gz MQSCBCFRRNGQTQ-UHFFFAOYSA-N 0 1 334.423 4.052 20 10 EICDMN Fc1cc(CN2CCC[C@H]2c2ccsc2)ccc1N1CCOCC1 ZINC000153546756 1045240627 /nfs/dbraw/zinc/24/06/27/1045240627.db2.gz XKPKZINURUAPRU-SFHVURJKSA-N 0 1 346.471 4.061 20 10 EICDMN Cn1ccc2ccc(NCc3cc(Cl)cc(Cl)c3O)cc2c1=O ZINC000790637740 1045546915 /nfs/dbraw/zinc/54/69/15/1045546915.db2.gz NMWJDKKDEMNOQQ-UHFFFAOYSA-N 0 1 349.217 4.163 20 10 EICDMN COc1cccc(CNCc2ccc(N(C)C3CCCCC3)cc2)n1 ZINC000790962831 1045641214 /nfs/dbraw/zinc/64/12/14/1045641214.db2.gz UQWNSGHEWVOQDT-UHFFFAOYSA-N 0 1 339.483 4.149 20 10 EICDMN CCN(Cc1c[nH]c(-c2ccccc2)n1)Cc1ccc(N(C)C)cc1 ZINC000768134090 1045723966 /nfs/dbraw/zinc/72/39/66/1045723966.db2.gz PCVXYNGVFVCDGR-UHFFFAOYSA-N 0 1 334.467 4.165 20 10 EICDMN CCOc1ccc(O)c(CN(C)Cc2cc(Cl)ccc2OC)c1 ZINC000768205427 1045743522 /nfs/dbraw/zinc/74/35/22/1045743522.db2.gz FDYLGHUOVVEHGK-UHFFFAOYSA-N 0 1 335.831 4.085 20 10 EICDMN COc1cccc(CN(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)c1O ZINC000768256335 1045767384 /nfs/dbraw/zinc/76/73/84/1045767384.db2.gz CLKZQTJGTWZLSV-CXAGYDPISA-N 0 1 327.424 4.282 20 10 EICDMN C[C@H]1C[C@H]1c1ccc(CN(Cc2cc3c(cc2O)OCO3)C2CC2)o1 ZINC000768258142 1045769964 /nfs/dbraw/zinc/76/99/64/1045769964.db2.gz QQPLYMUIUSWUSV-BLLLJJGKSA-N 0 1 341.407 4.002 20 10 EICDMN C[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000768272506 1045777128 /nfs/dbraw/zinc/77/71/28/1045777128.db2.gz SHLXHYDXEWDVPP-YUMQZZPRSA-N 0 1 326.156 4.146 20 10 EICDMN C[C@H](c1cccs1)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000768416420 1045808877 /nfs/dbraw/zinc/80/88/77/1045808877.db2.gz FNVDPIRBVKJMGL-SNVBAGLBSA-N 0 1 326.259 4.409 20 10 EICDMN C[C@H](c1cccs1)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000768416420 1045808871 /nfs/dbraw/zinc/80/88/71/1045808871.db2.gz FNVDPIRBVKJMGL-SNVBAGLBSA-N 0 1 326.259 4.409 20 10 EICDMN C[C@H](c1ccco1)[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000769101186 1045878907 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10 EICDMN CCCc1nc(C)c(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)o1 ZINC000794275218 1046391233 /nfs/dbraw/zinc/39/12/33/1046391233.db2.gz NLJFSNXNWYAGLH-UHFFFAOYSA-N 0 1 329.488 4.412 20 10 EICDMN COc1ccsc1CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000771935151 1046530157 /nfs/dbraw/zinc/53/01/57/1046530157.db2.gz KYKJSOXIAWHYGP-UHFFFAOYSA-N 0 1 330.497 4.379 20 10 EICDMN Cc1nc2ccccc2nc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917074293 1046634031 /nfs/dbraw/zinc/63/40/31/1046634031.db2.gz WDSPRNUCCFERKM-UHFFFAOYSA-N 0 1 346.478 4.169 20 10 EICDMN CN(Cc1ccn(-c2ccccc2)n1)Cc1c(O)ccc2ccccc21 ZINC000917480771 1046903059 /nfs/dbraw/zinc/90/30/59/1046903059.db2.gz MFDIZPWYFNSOCX-UHFFFAOYSA-N 0 1 343.430 4.363 20 10 EICDMN CC[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139954 1047134598 /nfs/dbraw/zinc/13/45/98/1047134598.db2.gz STOOYISFODZOOW-XHDPSFHLSA-N 0 1 331.287 4.082 20 10 EICDMN C[C@@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000806173713 1047159572 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1047524243 /nfs/dbraw/zinc/52/42/43/1047524243.db2.gz PPYGJEDFUDNQFG-CYBMUJFWSA-N 0 1 336.284 4.093 20 10 EICDMN O=C(CCCc1ccccc1)NCc1cc(Cl)cc(Cl)c1O ZINC000807837280 1047524281 /nfs/dbraw/zinc/52/42/81/1047524281.db2.gz JTKJJGWJIFPKCX-UHFFFAOYSA-N 0 1 338.234 4.338 20 10 EICDMN CN(C)c1ccc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c(C(F)(F)F)c1 ZINC000814169014 1047872044 /nfs/dbraw/zinc/87/20/44/1047872044.db2.gz BEFIZBYIDBRSRU-CABCVRRESA-N 0 1 348.359 4.249 20 10 EICDMN CN(C)c1ccc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)c(C(F)(F)F)c1 ZINC000814169014 1047872047 /nfs/dbraw/zinc/87/20/47/1047872047.db2.gz BEFIZBYIDBRSRU-CABCVRRESA-N 0 1 348.359 4.249 20 10 EICDMN CC1(C)CN(Cc2cccc(Br)c2O)[C@H]1c1cccnc1 ZINC000814170644 1047873868 /nfs/dbraw/zinc/87/38/68/1047873868.db2.gz BBXWAVPULUDJFB-INIZCTEOSA-N 0 1 347.256 4.133 20 10 EICDMN CC(C)(C)c1cc(CN[C@@H]2CCn3ccnc32)c(O)c(C(C)(C)C)c1 ZINC000824526628 1047881466 /nfs/dbraw/zinc/88/14/66/1047881466.db2.gz NXSPCSDFCIGVRZ-QGZVFWFLSA-N 0 1 341.499 4.418 20 10 EICDMN CCCN(CCC)c1ccc(CNCc2cnccc2OC)cc1 ZINC000814298054 1047962159 /nfs/dbraw/zinc/96/21/59/1047962159.db2.gz DEIIZKRALCUKKG-UHFFFAOYSA-N 0 1 327.472 4.006 20 10 EICDMN COc1cc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])ccc1OC(C)C ZINC000825102163 1048024280 /nfs/dbraw/zinc/02/42/80/1048024280.db2.gz KCDKPHUTUCDKFQ-UHFFFAOYSA-N 0 1 349.858 4.440 20 10 EICDMN C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(Br)cc2[O-])o1 ZINC000825125057 1048040817 /nfs/dbraw/zinc/04/08/17/1048040817.db2.gz FEGGBCGUAFVRSV-YGRLFVJLSA-N 0 1 336.229 4.161 20 10 EICDMN Cc1cc([O-])c(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000825326076 1048071779 /nfs/dbraw/zinc/07/17/79/1048071779.db2.gz MSUBEWHWWIEKHV-LBPRGKRZSA-N 0 1 334.803 4.421 20 10 EICDMN CC(C)[C@H](C[NH2+]Cc1ccc(Br)cc1[O-])c1cccnc1 ZINC000825330667 1048071884 /nfs/dbraw/zinc/07/18/84/1048071884.db2.gz CABZEDUFIXJHPF-INIZCTEOSA-N 0 1 349.272 4.079 20 10 EICDMN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(CCO)CCCCC2)c1[O-] ZINC000808701744 1048081349 /nfs/dbraw/zinc/08/13/49/1048081349.db2.gz GYPMURHLWKCOJN-AWEZNQCLSA-N 0 1 325.880 4.338 20 10 EICDMN COC[C@H](N[C@H](C)c1ccc(N(C)C)cc1)c1cccc(Cl)c1 ZINC000808732307 1048095687 /nfs/dbraw/zinc/09/56/87/1048095687.db2.gz IMSBPWVEFBBJDI-KUHUBIRLSA-N 0 1 332.875 4.444 20 10 EICDMN CC1([NH2+]Cc2ccc(Br)cc2[O-])CCC(F)(F)CC1 ZINC000825489844 1048099957 /nfs/dbraw/zinc/09/99/57/1048099957.db2.gz PXAVUBVWVOQSLA-UHFFFAOYSA-N 0 1 334.204 4.212 20 10 EICDMN CCCN(CCC)c1ccc(CNCc2c(C)onc2CC)cc1 ZINC000815146292 1048369187 /nfs/dbraw/zinc/36/91/87/1048369187.db2.gz PURXUKSLYIPGGS-UHFFFAOYSA-N 0 1 329.488 4.462 20 10 EICDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1cc(Cl)cs1 ZINC000809713168 1048491224 /nfs/dbraw/zinc/49/12/24/1048491224.db2.gz KMQMCXWKHJXELT-UHFFFAOYSA-N 0 1 332.650 4.159 20 10 EICDMN CC[N@@H+](Cc1cccs1)Cc1cc(Br)c(F)cc1[O-] ZINC001144308270 1048583581 /nfs/dbraw/zinc/58/35/81/1048583581.db2.gz URPALLCSBZZIQP-UHFFFAOYSA-N 0 1 344.249 4.377 20 10 EICDMN Cc1nn(-c2ccccc2C)c(C)c1CNCc1ccc2c(c1)CCO2 ZINC000920410626 1048668330 /nfs/dbraw/zinc/66/83/30/1048668330.db2.gz AUCZWQIJYBYBGJ-UHFFFAOYSA-N 0 1 347.462 4.022 20 10 EICDMN CC[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810221126 1048687934 /nfs/dbraw/zinc/68/79/34/1048687934.db2.gz APMAXSRQSXMPNB-BLLLJJGKSA-N 0 1 338.373 4.478 20 10 EICDMN CC[C@H]([NH2+]CC(C)(C)C[C@H](C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810226377 1048694482 /nfs/dbraw/zinc/69/44/82/1048694482.db2.gz FDHXEESWFNAKEQ-FZMZJTMJSA-N 0 1 333.394 4.249 20 10 EICDMN CC[C@H]([NH2+][C@@H](CC)[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810229142 1048696197 /nfs/dbraw/zinc/69/61/97/1048696197.db2.gz SZWMJZJSVLAIQE-DZKIICNBSA-N 0 1 331.378 4.409 20 10 EICDMN CC[C@@H]([NH2+]CC1(C)CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227426 1048696544 /nfs/dbraw/zinc/69/65/44/1048696544.db2.gz WJHQEYGXGMNOQK-CQSZACIVSA-N 0 1 331.378 4.268 20 10 EICDMN CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810235480 1048700220 /nfs/dbraw/zinc/70/02/20/1048700220.db2.gz QNRHEWUHELONHB-ZOWXZIJZSA-N 0 1 331.378 4.267 20 10 EICDMN CC[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237284 1048722252 /nfs/dbraw/zinc/72/22/52/1048722252.db2.gz BEYGKVPTURJCHM-UGFHNGPFSA-N 0 1 331.378 4.003 20 10 EICDMN CC[C@H]([NH2+]Cc1cnn2ccccc12)c1ccc(C(F)(F)F)cc1[O-] ZINC000810240419 1048723558 /nfs/dbraw/zinc/72/35/58/1048723558.db2.gz AQNCJMDCARYROV-HNNXBMFYSA-N 0 1 349.356 4.300 20 10 EICDMN COc1cccc([C@@H]2CCCN2Cc2cc(F)cc(C(C)=O)c2O)c1 ZINC000748050490 1048736659 /nfs/dbraw/zinc/73/66/59/1048736659.db2.gz DMOQBTJJIRZLAC-IBGZPJMESA-N 0 1 343.398 4.080 20 10 EICDMN C[C@H](CCc1n[nH]c2ccccc21)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846054517 1048808551 /nfs/dbraw/zinc/80/85/51/1048808551.db2.gz DCKSUWQEPZCFHG-GFCCVEGCSA-N 0 1 329.831 4.033 20 10 EICDMN [O-]c1c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)ccc2ccccc12 ZINC000816520376 1048819771 /nfs/dbraw/zinc/81/97/71/1048819771.db2.gz NSDCZPNYXUPWNL-IEBWSBKVSA-N 0 1 337.419 4.227 20 10 EICDMN [O-]c1c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)ccc2ccccc12 ZINC000816520376 1048819776 /nfs/dbraw/zinc/81/97/76/1048819776.db2.gz NSDCZPNYXUPWNL-IEBWSBKVSA-N 0 1 337.419 4.227 20 10 EICDMN Oc1c(CN2CCO[C@H](c3ccccc3F)C2)ccc2ccccc21 ZINC000816502230 1048822148 /nfs/dbraw/zinc/82/21/48/1048822148.db2.gz SHQBRSAHWSRSPK-FQEVSTJZSA-N 0 1 337.394 4.258 20 10 EICDMN Oc1ccccc1CN(Cc1c(F)ccc(O)c1F)C1CCCC1 ZINC000816508718 1048823590 /nfs/dbraw/zinc/82/35/90/1048823590.db2.gz SGLCJHIHKOWXOA-UHFFFAOYSA-N 0 1 333.378 4.321 20 10 EICDMN COc1cccc([C@H](C)NCc2coc(-c3ccc(C)cc3)n2)c1O ZINC000846149329 1048823891 /nfs/dbraw/zinc/82/38/91/1048823891.db2.gz YALOVIHLGKSBNS-AWEZNQCLSA-N 0 1 338.407 4.215 20 10 EICDMN C[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816548467 1048828693 /nfs/dbraw/zinc/82/86/93/1048828693.db2.gz ITLQYXGMRDCQHX-UTKZUKDTSA-N 0 1 346.474 4.471 20 10 EICDMN Cc1cccc2oc(CC[NH2+]Cc3ccc4ccccc4c3[O-])nc21 ZINC000816553712 1048833959 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EICDMN CC(C)[C@@]1(CO)CCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000816662036 1048849781 /nfs/dbraw/zinc/84/97/81/1048849781.db2.gz GDEPAFCEUVFSKF-QFIPXVFZSA-N 0 1 339.479 4.290 20 10 EICDMN CC(C)[C@@]1(CO)CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000816662036 1048849790 /nfs/dbraw/zinc/84/97/90/1048849790.db2.gz GDEPAFCEUVFSKF-QFIPXVFZSA-N 0 1 339.479 4.290 20 10 EICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc(F)ccc1Cl ZINC000816681922 1048852600 /nfs/dbraw/zinc/85/26/00/1048852600.db2.gz KFWNSGYGJQJURZ-UHFFFAOYSA-N 0 1 348.588 4.422 20 10 EICDMN C[C@@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1ccc2ccccc2c1[O-] ZINC000817975856 1049074301 /nfs/dbraw/zinc/07/43/01/1049074301.db2.gz YRQUFUREPFISED-VFNWGFHPSA-N 0 1 332.447 4.083 20 10 EICDMN COC(OC)c1ccc(F)c(CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000818203994 1049108870 /nfs/dbraw/zinc/10/88/70/1049108870.db2.gz KDQSJYUJLNAWTA-CQSZACIVSA-N 0 1 346.446 4.034 20 10 EICDMN CC1(C)C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@@H]1[C@H]1CCCO1 ZINC000811510409 1049123936 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O=C(/C=C\c1cccc(F)c1)NCc1cc(Cl)cc(Cl)c1O ZINC000813682618 1049808005 /nfs/dbraw/zinc/80/80/05/1049808005.db2.gz GXIWINVJRROQFI-PLNGDYQASA-N 0 1 340.181 4.168 20 10 EICDMN Oc1ccc(CN(Cc2ccco2)Cc2cc(F)ccc2O)cc1 ZINC000180065242 1049838466 /nfs/dbraw/zinc/83/84/66/1049838466.db2.gz RZWYQEZNWOUASO-UHFFFAOYSA-N 0 1 327.355 4.032 20 10 EICDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccccc2OC(C)C)c1[O-] ZINC000774993367 1050275501 /nfs/dbraw/zinc/27/55/01/1050275501.db2.gz UYVNPRXMORZSCV-CYBMUJFWSA-N 0 1 345.414 4.372 20 10 EICDMN Cc1cc([O-])c(C[NH2+]CCc2cccc3cccnc32)c(Cl)c1 ZINC001177678646 1050276259 /nfs/dbraw/zinc/27/62/59/1050276259.db2.gz CQBRNMSLBNEKRE-UHFFFAOYSA-N 0 1 326.827 4.235 20 10 EICDMN CCC[C@@H](NCc1ccc(OC)c(COCC)c1)c1ccccn1 ZINC001177688266 1050281236 /nfs/dbraw/zinc/28/12/36/1050281236.db2.gz QAYMCZQNWDVQFU-GOSISDBHSA-N 0 1 328.456 4.258 20 10 EICDMN COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1c([O-])cc(C)cc1Cl)C2 ZINC001178294849 1050430991 /nfs/dbraw/zinc/43/09/91/1050430991.db2.gz CVBBYUMJYBTQSF-OAHLLOKOSA-N 0 1 331.843 4.010 20 10 EICDMN Cc1ccc(Cl)c(NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001178386731 1050451447 /nfs/dbraw/zinc/45/14/47/1050451447.db2.gz JCKLEYPNIPMGHP-UHFFFAOYSA-N 0 1 329.875 4.012 20 10 EICDMN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001237077761 1050640623 /nfs/dbraw/zinc/64/06/23/1050640623.db2.gz KGYXKTAMIMVZEP-VXNVDRBHSA-N 0 1 346.151 4.279 20 10 EICDMN Cc1cc(CNCc2cccc3c2OCCO3)c(C)n1-c1ccccc1 ZINC001179333511 1050677214 /nfs/dbraw/zinc/67/72/14/1050677214.db2.gz XMVSRHKPYNQRGU-UHFFFAOYSA-N 0 1 348.446 4.155 20 10 EICDMN CCN(C)c1ccc(CN[C@H](C)c2cc(OC)c(OC)cc2F)cc1 ZINC000773813781 1050703671 /nfs/dbraw/zinc/70/36/71/1050703671.db2.gz WBZOAGRXWRLTQX-CQSZACIVSA-N 0 1 346.446 4.150 20 10 EICDMN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2c(C)cc(OC)cc2O)C1(CC)CC ZINC001179950750 1050828234 /nfs/dbraw/zinc/82/82/34/1050828234.db2.gz HHTPXAFAXQNDPO-RBUKOAKNSA-N 0 1 335.488 4.125 20 10 EICDMN CCCCO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])C1(C)C 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10 EICDMN Cc1cc([O-])c(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)cc1Cl ZINC001182432771 1051546257 /nfs/dbraw/zinc/54/62/57/1051546257.db2.gz FSDRUPUGRBZLBW-OAHLLOKOSA-N 0 1 346.902 4.449 20 10 EICDMN CC[C@H]([NH2+]Cc1ccc(OC(C)C)nc1)c1cc(Cl)ccc1[O-] ZINC000775486506 1051559446 /nfs/dbraw/zinc/55/94/46/1051559446.db2.gz CJHJQAVZNFGFIR-INIZCTEOSA-N 0 1 334.847 4.469 20 10 EICDMN CC(=O)c1cc(F)cc(C[NH+]2CCC(c3ccc(F)cc3)CC2)c1[O-] ZINC001175436062 1051590627 /nfs/dbraw/zinc/59/06/27/1051590627.db2.gz DJXPHHXQLXGDFS-UHFFFAOYSA-N 0 1 345.389 4.253 20 10 EICDMN CC[C@@H](N[C@@H](C)c1nnc2n1CCCCC2)c1cc(Cl)ccc1O ZINC000775492826 1051592041 /nfs/dbraw/zinc/59/20/41/1051592041.db2.gz SUVAPSGMFXLIAK-SWLSCSKDSA-N 0 1 348.878 4.165 20 10 EICDMN CC[C@H](NCc1ccn(-c2ccccc2)n1)c1cc(Cl)ccc1O ZINC000775497152 1051609803 /nfs/dbraw/zinc/60/98/03/1051609803.db2.gz NLCSWRGVDQBKDS-SFHVURJKSA-N 0 1 341.842 4.472 20 10 EICDMN CC[C@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1cc(Cl)ccc1[O-] ZINC000775497152 1051609828 /nfs/dbraw/zinc/60/98/28/1051609828.db2.gz NLCSWRGVDQBKDS-SFHVURJKSA-N 0 1 341.842 4.472 20 10 EICDMN CC[C@H]([NH2+]Cc1ccccc1-n1cccn1)c1cc(Cl)ccc1[O-] ZINC000775497799 1051618213 /nfs/dbraw/zinc/61/82/13/1051618213.db2.gz UVNJKWRXDGWPGM-KRWDZBQOSA-N 0 1 341.842 4.472 20 10 EICDMN COc1ccc(N(Cc2n[nH]c(C(C)C)n2)Cc2ccccc2)cc1 ZINC001192061388 1051628287 /nfs/dbraw/zinc/62/82/87/1051628287.db2.gz MIVMOWGLGFBUKG-UHFFFAOYSA-N 0 1 336.439 4.144 20 10 EICDMN CC[C@H]([NH2+][C@H](C)C[C@@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000775513730 1051662762 /nfs/dbraw/zinc/66/27/62/1051662762.db2.gz LGCMUOIWTWHHKA-XUJVJEKNSA-N 0 1 342.277 4.011 20 10 EICDMN CCOc1c(Cl)cccc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC001182686148 1051671937 /nfs/dbraw/zinc/67/19/37/1051671937.db2.gz XXUUPTMDHCVUEM-UHFFFAOYSA-N 0 1 326.223 4.388 20 10 EICDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)Cc2ccc3cc[nH]c3c2)c1[O-] ZINC001175612419 1051699673 /nfs/dbraw/zinc/69/96/73/1051699673.db2.gz RVNXTGIPHKBKMM-UHFFFAOYSA-N 0 1 342.826 4.362 20 10 EICDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)Cc2ccc3cc[nH]c3c2)c1[O-] ZINC001175612419 1051699681 /nfs/dbraw/zinc/69/96/81/1051699681.db2.gz RVNXTGIPHKBKMM-UHFFFAOYSA-N 0 1 342.826 4.362 20 10 EICDMN CC[C@H]([NH2+]Cc1cccc2c1OCCO2)c1cc(Cl)ccc1[O-] ZINC000775523617 1051703139 /nfs/dbraw/zinc/70/31/39/1051703139.db2.gz LCBIQSQYUJZDIO-HNNXBMFYSA-N 0 1 333.815 4.058 20 10 EICDMN CC[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000775525228 1051706196 /nfs/dbraw/zinc/70/61/96/1051706196.db2.gz IYSWSWFRIQUDJI-WMZOPIPTSA-N 0 1 337.822 4.133 20 10 EICDMN CC[C@H]([NH2+][C@H](CO)c1sccc1C)c1cc(Cl)ccc1[O-] ZINC000775526845 1051715198 /nfs/dbraw/zinc/71/51/98/1051715198.db2.gz MBRPBSHZOAVYES-UONOGXRCSA-N 0 1 325.861 4.190 20 10 EICDMN CC[C@H]([NH2+][C@H](CO)[C@H](C)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775525610 1051725296 /nfs/dbraw/zinc/72/52/96/1051725296.db2.gz XPSPNKJSZGYFKJ-JEBQAFNWSA-N 0 1 333.859 4.251 20 10 EICDMN CC[C@H]([NH2+][C@H](C)[C@@H](O)c1cccc(F)c1)c1cc(Cl)ccc1[O-] ZINC000775528401 1051739632 /nfs/dbraw/zinc/73/96/32/1051739632.db2.gz YBLBSXPZGLXAHA-DPZKZMLUSA-N 0 1 337.822 4.348 20 10 EICDMN CC[C@H]([NH2+][C@H](CCOC)Cc1ccco1)c1cc(Cl)ccc1[O-] ZINC000775552297 1051823450 /nfs/dbraw/zinc/82/34/50/1051823450.db2.gz UERRTHBZGADWPI-PBHICJAKSA-N 0 1 337.847 4.327 20 10 EICDMN COC1(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])CCCCC1 ZINC000775562023 1051850448 /nfs/dbraw/zinc/85/04/48/1051850448.db2.gz ALUKVDFYLPUMIR-LBPRGKRZSA-N 0 1 342.277 4.155 20 10 EICDMN COc1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])c(C)c1OC ZINC001183951349 1051930597 /nfs/dbraw/zinc/93/05/97/1051930597.db2.gz XNFDFYTYUVAXJL-UHFFFAOYSA-N 0 1 337.419 4.161 20 10 EICDMN CC(C)N(C(=O)c1cc(O)c(O)c(Cl)c1)[C@@H](C)c1ccccc1 ZINC001193611363 1051955229 /nfs/dbraw/zinc/95/52/29/1051955229.db2.gz CVOACNVAEUGGMS-LBPRGKRZSA-N 0 1 333.815 4.363 20 10 EICDMN CC(C)c1ccc([C@@H](C)NC(=O)c2cc(O)c(O)c(Cl)c2)cc1 ZINC001193633864 1051958531 /nfs/dbraw/zinc/95/85/31/1051958531.db2.gz JIHGBLXYCQZCKM-LLVKDONJSA-N 0 1 333.815 4.366 20 10 EICDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H]2CCc3ccccc3C2)c1[O-] ZINC001176908245 1052209692 /nfs/dbraw/zinc/20/96/92/1052209692.db2.gz BRGMXVSGAILCIY-SFHVURJKSA-N 0 1 343.854 4.238 20 10 EICDMN C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc2ccccc2c1[O-] ZINC000184944563 1052328632 /nfs/dbraw/zinc/32/86/32/1052328632.db2.gz UECYBRDNEVVYBT-DJJJIMSYSA-N 0 1 325.383 4.069 20 10 EICDMN C[C@H]([NH2+]CCCOCC(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000184992831 1052346781 /nfs/dbraw/zinc/34/67/81/1052346781.db2.gz ANPOANIWRDSJCV-LBPRGKRZSA-N 0 1 327.346 4.165 20 10 EICDMN C[C@@H](NCc1cccnc1OC1CCCC1)c1cc(F)ccc1O ZINC000185010539 1052360821 /nfs/dbraw/zinc/36/08/21/1052360821.db2.gz CMDYCJBNPQYYTC-CYBMUJFWSA-N 0 1 330.403 4.099 20 10 EICDMN C[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc2ccccc2c1[O-] ZINC000185095689 1052408967 /nfs/dbraw/zinc/40/89/67/1052408967.db2.gz BLWPWRWBKXZROH-DJJJIMSYSA-N 0 1 325.383 4.069 20 10 EICDMN CC(C)c1noc(CCC[NH2+][C@H](C)c2ccc3ccccc3c2[O-])n1 ZINC000185319348 1052580776 /nfs/dbraw/zinc/58/07/76/1052580776.db2.gz JFLJPLVJJUHPPI-CQSZACIVSA-N 0 1 339.439 4.335 20 10 EICDMN Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000185559379 1052639534 /nfs/dbraw/zinc/63/95/34/1052639534.db2.gz XCCQYKFAQDHAOD-KBPBESRZSA-N 0 1 337.467 4.178 20 10 EICDMN COc1cc(CN[C@@H](C)c2nc(C)cs2)c(O)c(C(C)(C)C)c1 ZINC000850117423 1053076157 /nfs/dbraw/zinc/07/61/57/1053076157.db2.gz BLNTYXUMHPTGQZ-LBPRGKRZSA-N 0 1 334.485 4.314 20 10 EICDMN COc1cc(CNCc2cc(C)cc(Cl)n2)c(O)c(C(C)(C)C)c1 ZINC000850284648 1053107020 /nfs/dbraw/zinc/10/70/20/1053107020.db2.gz KSRSPYFWODPGJX-UHFFFAOYSA-N 0 1 348.874 4.345 20 10 EICDMN COc1ccc(CNCc2c(F)cccc2N2CCCC2)cc1C ZINC000101601341 1053250643 /nfs/dbraw/zinc/25/06/43/1053250643.db2.gz ADDJXRBNQWWTBQ-UHFFFAOYSA-N 0 1 328.431 4.033 20 10 EICDMN Cc1ccc(N2CCC[N@@H+](Cc3cccc(Cl)c3[O-])CC2)cc1 ZINC000775634795 1053260116 /nfs/dbraw/zinc/26/01/16/1053260116.db2.gz YKVFWEVCQANVOR-UHFFFAOYSA-N 0 1 330.859 4.066 20 10 EICDMN CC[C@H]([NH2+]Cc1c(OC)cccc1OC)c1cc(Cl)ccc1[O-] ZINC000850505228 1053263597 /nfs/dbraw/zinc/26/35/97/1053263597.db2.gz PNESCOGFABJNOC-HNNXBMFYSA-N 0 1 335.831 4.304 20 10 EICDMN COC[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1cccc(OC)c1 ZINC000850515521 1053274290 /nfs/dbraw/zinc/27/42/90/1053274290.db2.gz YALAEJVEUVMHLX-YVEFUNNKSA-N 0 1 335.831 4.093 20 10 EICDMN C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775643332 1053305709 /nfs/dbraw/zinc/30/57/09/1053305709.db2.gz UTSIALPBDPDMJX-UHFFFAOYSA-N 0 1 345.748 4.418 20 10 EICDMN C[C@@H]([NH2+]CCC1SCCS1)c1cc(Br)ccc1[O-] ZINC000850571385 1053325509 /nfs/dbraw/zinc/32/55/09/1053325509.db2.gz UXAIEBIYRBBUPX-SECBINFHSA-N 0 1 348.331 4.002 20 10 EICDMN C[C@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1ccc2ccccc2c1[O-] ZINC000850573789 1053330084 /nfs/dbraw/zinc/33/00/84/1053330084.db2.gz RBTFXYLLAJCGHR-HNNXBMFYSA-N 0 1 340.467 4.022 20 10 EICDMN COc1ccc([C@H]2CCC[N@H+]2Cc2cccc(Cl)c2[O-])c(OC)c1 ZINC000775646960 1053344214 /nfs/dbraw/zinc/34/42/14/1053344214.db2.gz NFODRPKMMVNXLU-QGZVFWFLSA-N 0 1 347.842 4.400 20 10 EICDMN CN(Cc1ccn(-c2ccccc2)n1)Cc1cc(Cl)cc(F)c1O ZINC000775657995 1053426881 /nfs/dbraw/zinc/42/68/81/1053426881.db2.gz KFOGRVIJPYTFPC-UHFFFAOYSA-N 0 1 345.805 4.002 20 10 EICDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000775669849 1053476984 /nfs/dbraw/zinc/47/69/84/1053476984.db2.gz RDQMDNHSOCLVOF-HKUYNNGSSA-N 0 1 349.833 4.273 20 10 EICDMN Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])s1 ZINC000775685489 1053564672 /nfs/dbraw/zinc/56/46/72/1053564672.db2.gz OMJMFUHEEUQDTH-VIFPVBQESA-N 0 1 328.840 4.451 20 10 EICDMN C[C@H](N[C@@H]1CCc2ccccc2-n2ccnc21)c1ccc(N(C)C)cc1 ZINC000853240810 1053657871 /nfs/dbraw/zinc/65/78/71/1053657871.db2.gz ILHQNPKIPXUVPS-OXJNMPFZSA-N 0 1 346.478 4.276 20 10 EICDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000775717299 1053671293 /nfs/dbraw/zinc/67/12/93/1053671293.db2.gz ARKZTJFLLWZBEO-OAHLLOKOSA-N 0 1 327.827 4.108 20 10 EICDMN C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@H](c2ccsc2)O1 ZINC000775725726 1053696895 /nfs/dbraw/zinc/69/68/95/1053696895.db2.gz MSIADXWECRYDAZ-ZUZCIYMTSA-N 0 1 341.835 4.208 20 10 EICDMN C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCOC1)c1ccc2ccccc2c1[O-] ZINC000866512007 1053760684 /nfs/dbraw/zinc/76/06/84/1053760684.db2.gz HHXBZNZGEORENN-GZRFBZBPSA-N 0 1 325.452 4.401 20 10 EICDMN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(F)cc1OC(F)F ZINC000765607302 1053799365 /nfs/dbraw/zinc/79/93/65/1053799365.db2.gz AAZGNGKKULHJMM-LLVKDONJSA-N 0 1 337.341 4.213 20 10 EICDMN C[C@H]1C[C@@H](NCc2noc3cc(F)ccc32)c2c1c(F)ccc2O ZINC000866612217 1053804472 /nfs/dbraw/zinc/80/44/72/1053804472.db2.gz FGRDPCZQPRWVHM-TVQRCGJNSA-N 0 1 330.334 4.150 20 10 EICDMN CC[C@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(C(F)(F)F)cc1[O-] ZINC000866633126 1053811386 /nfs/dbraw/zinc/81/13/86/1053811386.db2.gz FZHBPEXRGGBCQH-KBPBESRZSA-N 0 1 339.361 4.183 20 10 EICDMN C[C@@H](N[C@H](C)c1cc(F)ccc1F)c1ccc(N2CCOCC2)cc1 ZINC000112536863 1053838309 /nfs/dbraw/zinc/83/83/09/1053838309.db2.gz GPYDEVFDPKBDJH-HUUCEWRRSA-N 0 1 346.421 4.213 20 10 EICDMN CN(C)c1ccc(CN[C@H]2CCCOc3ccc(F)cc32)cc1F ZINC000113326742 1053925026 /nfs/dbraw/zinc/92/50/26/1053925026.db2.gz XFOFSPZLODOCMK-KRWDZBQOSA-N 0 1 332.394 4.034 20 10 EICDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000776816156 1053945791 /nfs/dbraw/zinc/94/57/91/1053945791.db2.gz NNPBIGXAPRMSPL-CQSZACIVSA-N 0 1 329.749 4.481 20 10 EICDMN Cc1ccn2cc(CN[C@@H](C)c3ccc(N4CCCCC4)cc3)nc2c1 ZINC000765757143 1054137208 /nfs/dbraw/zinc/13/72/08/1054137208.db2.gz FJUZUVDNLDBYCF-SFHVURJKSA-N 0 1 348.494 4.484 20 10 EICDMN C[C@H](NCCCSc1nccs1)c1c(F)cccc1[N+](=O)[O-] ZINC000872038219 1054353407 /nfs/dbraw/zinc/35/34/07/1054353407.db2.gz LQBKHDZDBYMKQM-JTQLQIEISA-N 0 1 341.433 4.023 20 10 EICDMN CC[C@@H]([NH2+][C@H](C)c1nccnc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000872133116 1054408285 /nfs/dbraw/zinc/40/82/85/1054408285.db2.gz KKJYXALEDUQURA-BXUZGUMPSA-N 0 1 339.361 4.311 20 10 EICDMN CO[C@@H](CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1)C(F)(F)F ZINC000777012951 1054454122 /nfs/dbraw/zinc/45/41/22/1054454122.db2.gz SNOYSOACHSPEAS-WBMJQRKESA-N 0 1 348.384 4.044 20 10 EICDMN CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825635287 1054469769 /nfs/dbraw/zinc/46/97/69/1054469769.db2.gz YTUFIVPXGGSQIF-NSHDSACASA-N 0 1 340.183 4.221 20 10 EICDMN C[C@H](NCc1ccc(N(C)C)cc1)c1cc(-c2ccccc2)n(C)n1 ZINC000858347361 1054470836 /nfs/dbraw/zinc/47/08/36/1054470836.db2.gz WSPBRSXBAIQNMP-INIZCTEOSA-N 0 1 334.467 4.004 20 10 EICDMN CCN(CC)c1ccc(CN(C)Cc2ccc(OC)cc2OC)cc1 ZINC001203942846 1054480304 /nfs/dbraw/zinc/48/03/04/1054480304.db2.gz ULALQEMWLTWRBM-UHFFFAOYSA-N 0 1 342.483 4.182 20 10 EICDMN Cc1ccc(O)c(CNCc2cc(C(F)(F)F)cc(Cl)n2)c1 ZINC000873169324 1054496924 /nfs/dbraw/zinc/49/69/24/1054496924.db2.gz KGNZQSHWLPGCDF-UHFFFAOYSA-N 0 1 330.737 4.058 20 10 EICDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccc(C(F)(F)F)nc1 ZINC000873186298 1054503520 /nfs/dbraw/zinc/50/35/20/1054503520.db2.gz LNUILXBIYXYBMW-VIFPVBQESA-N 0 1 330.737 4.310 20 10 EICDMN Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])CC2 ZINC000776174136 1054803156 /nfs/dbraw/zinc/80/31/56/1054803156.db2.gz ANFJDIYHLHGWRX-INIZCTEOSA-N 0 1 332.241 4.240 20 10 EICDMN Cc1cc([O-])c(C[NH2+]C[C@H](c2ccccc2)C(C)(C)CO)c(Cl)c1 ZINC001201550127 1054839840 /nfs/dbraw/zinc/83/98/40/1054839840.db2.gz ZCCYLDDVRVKQLJ-QGZVFWFLSA-N 0 1 347.886 4.246 20 10 EICDMN CC[C@@H](NCc1ccc(C)cc1O)c1nc(C(F)(F)F)cs1 ZINC000877067942 1055010770 /nfs/dbraw/zinc/01/07/70/1055010770.db2.gz JYINPUGCJHJQFM-LLVKDONJSA-N 0 1 330.375 4.417 20 10 EICDMN CN(C)c1ccc(CN[C@@H]2COc3c2ccc(Cl)c3Cl)cc1 ZINC000742384038 1058583989 /nfs/dbraw/zinc/58/39/89/1058583989.db2.gz ZIHQNXLDNFRRSG-OAHLLOKOSA-N 0 1 337.250 4.283 20 10 EICDMN COc1ccc2ccc(O)c(CN3CCOC[C@@H]3c3ccccc3)c2c1 ZINC000743401510 1058980836 /nfs/dbraw/zinc/98/08/36/1058980836.db2.gz BHWSUXZCGAMVAK-OAQYLSRUSA-N 0 1 349.430 4.128 20 10 EICDMN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc3nc[nH]c3c2)cc1 ZINC000743936920 1059202979 /nfs/dbraw/zinc/20/29/79/1059202979.db2.gz HFZMRZVSUYLQJW-UHFFFAOYSA-N 0 1 330.391 4.223 20 10 EICDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)CC2(c3ccccc3)CC2)c1[O-] ZINC001169291735 1060749080 /nfs/dbraw/zinc/74/90/80/1060749080.db2.gz CPPQYWANWHYDJA-UHFFFAOYSA-N 0 1 343.854 4.412 20 10 EICDMN C[C@H]([NH2+][C@H]1COCc2ccccc21)c1ccc(Br)cc1[O-] ZINC000841762556 1032643989 /nfs/dbraw/zinc/64/39/89/1032643989.db2.gz XONNAOIOJHDCCI-ZBEGNZNMSA-N 0 1 348.240 4.077 20 10 EICDMN Nc1ccc(CCc2ccc(Nc3ccc(O)c([N+](=O)[O-])c3)cc2)cc1 ZINC001210400768 1021073830 /nfs/dbraw/zinc/07/38/30/1021073830.db2.gz LQQZFOBWXUIOHP-UHFFFAOYSA-N 0 1 349.390 4.411 20 10 EICDMN CC[C@@H](N[C@@H](CC)c1ccc(C)cc1O)c1nnc2n1CCCCC2 ZINC000279940459 1033008102 /nfs/dbraw/zinc/00/81/02/1033008102.db2.gz BFDWXUQYCIMNLW-DLBZAZTESA-N 0 1 342.487 4.211 20 10 EICDMN Cc1ccc(O)c([C@@H](C)NCc2ccsc2Br)c1 ZINC000282318599 1021894757 /nfs/dbraw/zinc/89/47/57/1021894757.db2.gz DYILYWSVVJNJLE-SNVBAGLBSA-N 0 1 326.259 4.375 20 10 EICDMN CC(C)(C[NH2+]Cc1c([O-])cccc1Br)c1cccs1 ZINC000706834309 1022887405 /nfs/dbraw/zinc/88/74/05/1022887405.db2.gz VAIBLJSEQRGFAV-UHFFFAOYSA-N 0 1 340.286 4.284 20 10 EICDMN CN(Cc1ccccc1O)Cc1ccc(Br)cc1Cl ZINC001137565614 1023379275 /nfs/dbraw/zinc/37/92/75/1023379275.db2.gz WHRULSWXILEHLZ-UHFFFAOYSA-N 0 1 340.648 4.440 20 10 EICDMN C[C@@H](NCc1ccc(N2CCC(C)CC2)cc1)c1ccc(F)cn1 ZINC000092747652 1023668838 /nfs/dbraw/zinc/66/88/38/1023668838.db2.gz JMYBFQARAGCQOY-MRXNPFEDSA-N 0 1 327.447 4.308 20 10 EICDMN CC[C@H]([NH2+][C@H](C)c1ccccn1)c1cc(Br)ccc1[O-] ZINC000020123486 1023731095 /nfs/dbraw/zinc/73/10/95/1023731095.db2.gz WZWRBYDJOLONAP-RISCZKNCSA-N 0 1 335.245 4.352 20 10 EICDMN C[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1Cl)c1cc(Cl)ccc1[O-] ZINC000756738137 1024260360 /nfs/dbraw/zinc/26/03/60/1024260360.db2.gz JOAFUYONVJEONN-PSLIRLAXSA-N 0 1 344.213 4.222 20 10 EICDMN CCc1nc([C@@H](C)NC2CCN(c3ccc(OC)cc3)CC2)cs1 ZINC000162346328 1025123195 /nfs/dbraw/zinc/12/31/95/1025123195.db2.gz YBWOOSKGODLVMH-CQSZACIVSA-N 0 1 345.512 4.034 20 10 EICDMN CCN(C)c1ccc([C@@H](C)NCc2cccc(OC)c2OC)cc1 ZINC000165949383 1025455063 /nfs/dbraw/zinc/45/50/63/1025455063.db2.gz QTEKVALGSSXEEF-OAHLLOKOSA-N 0 1 328.456 4.011 20 10 EICDMN C[S@@](=O)c1cccc(NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000121776698 1026217053 /nfs/dbraw/zinc/21/70/53/1026217053.db2.gz POUMPODDWGDANZ-FQEVSTJZSA-N 0 1 330.236 4.049 20 10 EICDMN C[C@@H](C1CC1)[N@@H+](Cc1cc(Br)cc(F)c1[O-])C1CC1 ZINC001204743437 1026248078 /nfs/dbraw/zinc/24/80/78/1026248078.db2.gz HJCMTXVXMSXGHH-VIFPVBQESA-N 0 1 328.225 4.057 20 10 EICDMN C[C@@H]([NH2+]C[C@H](c1ccccc1)N(C)C)c1ccc2ccccc2c1[O-] ZINC000326882885 1026465130 /nfs/dbraw/zinc/46/51/30/1026465130.db2.gz CPEJIHUVFFPOQP-IIBYNOLFSA-N 0 1 334.463 4.499 20 10 EICDMN C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708074804 1026840143 /nfs/dbraw/zinc/84/01/43/1026840143.db2.gz GPHVAZXOTPYFLB-KXUCPTDWSA-N 0 1 332.669 4.284 20 10 EICDMN Cn1cnc(-c2cccc(NCc3cc(Cl)cc(Cl)c3O)c2)n1 ZINC000153578915 1027659520 /nfs/dbraw/zinc/65/95/20/1027659520.db2.gz FPISBXUCORCDHU-UHFFFAOYSA-N 0 1 349.221 4.107 20 10 EICDMN Cc1cc([O-])c(C[NH2+]Cc2ccccc2OC(F)F)c(Cl)c1 ZINC000840871262 1029647601 /nfs/dbraw/zinc/64/76/01/1029647601.db2.gz CUCWMZQVHRKCIA-UHFFFAOYSA-N 0 1 327.758 4.245 20 10 EICDMN Cc1cc(O)c(CNCc2ccccc2OC(F)F)c(Cl)c1 ZINC000840871262 1029647613 /nfs/dbraw/zinc/64/76/13/1029647613.db2.gz CUCWMZQVHRKCIA-UHFFFAOYSA-N 0 1 327.758 4.245 20 10 EICDMN C[C@@H]([NH2+]Cc1ccccc1-n1ccnc1)c1cc(Cl)ccc1[O-] ZINC000185125193 1030128858 /nfs/dbraw/zinc/12/88/58/1030128858.db2.gz FGOGZYVDZFMFLW-CYBMUJFWSA-N 0 1 327.815 4.082 20 10 EICDMN C[C@@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ccc2ccccc2c1[O-] ZINC000185878807 1030236537 /nfs/dbraw/zinc/23/65/37/1030236537.db2.gz VMCKVCSDWBQXBU-AUUYWEPGSA-N 0 1 346.430 4.322 20 10 EICDMN C[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000527929651 1030971614 /nfs/dbraw/zinc/97/16/14/1030971614.db2.gz DVGYGZZZBFLVEC-WBMJQRKESA-N 0 1 349.356 4.196 20 10 EICDMN C[C@H](N[C@@H](C)c1ncccc1F)c1ccc(Br)cc1O ZINC000528035385 1031050167 /nfs/dbraw/zinc/05/01/67/1031050167.db2.gz GYNINCQEWPAIAO-UWVGGRQHSA-N 0 1 339.208 4.101 20 10 EICDMN C[C@H]([NH2+][C@@H](C)c1ncccc1F)c1ccc(Br)cc1[O-] ZINC000528035385 1031050185 /nfs/dbraw/zinc/05/01/85/1031050185.db2.gz GYNINCQEWPAIAO-UWVGGRQHSA-N 0 1 339.208 4.101 20 10 EICDMN COc1ccc([C@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])C2CC2)cn1 ZINC000528042629 1031057891 /nfs/dbraw/zinc/05/78/91/1031057891.db2.gz GDCVFNYAGCOAGO-ADLMAVQZSA-N 0 1 332.831 4.251 20 10 EICDMN CCCO[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000177152931 1031357954 /nfs/dbraw/zinc/35/79/54/1031357954.db2.gz GDISDVIEIGXJLI-INIZCTEOSA-N 0 1 339.863 4.029 20 10 EICDMN COc1ccc(O)c([C@H](C)N[C@H](c2ccccc2)c2ccccn2)c1 ZINC000359975289 1031902889 /nfs/dbraw/zinc/90/28/89/1031902889.db2.gz QPTBEQNGHPLEED-YCRPNKLZSA-N 0 1 334.419 4.236 20 10 EICDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000227446763 1035806878 /nfs/dbraw/zinc/80/68/78/1035806878.db2.gz YOUFNFDBISWJGE-UHFFFAOYSA-N 0 1 344.611 4.237 20 10 EICDMN Cc1nccn1-c1ccc(NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000319648107 1035877143 /nfs/dbraw/zinc/87/71/43/1035877143.db2.gz AMOLGLJCCREOSS-UHFFFAOYSA-N 0 1 349.221 4.200 20 10 EICDMN COc1ccc2c(c1)CCCN(Cc1cc(Cl)cc(OC)c1O)C2 ZINC000761193774 1036005140 /nfs/dbraw/zinc/00/51/40/1036005140.db2.gz HWQQTXVSCAEGQI-UHFFFAOYSA-N 0 1 347.842 4.011 20 10 EICDMN CC[C@H]([NH2+]CC[C@@H]1CCCCO1)c1cc(Br)ccc1[O-] ZINC000229574198 1037260732 /nfs/dbraw/zinc/26/07/32/1037260732.db2.gz RBSUVLHTIODBQV-ZFWWWQNUSA-N 0 1 342.277 4.155 20 10 EICDMN CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Br)ccc2[O-])CCO1 ZINC000273447915 1037466864 /nfs/dbraw/zinc/46/68/64/1037466864.db2.gz FOMVTVQHQJFZLU-DETPVDSQSA-N 0 1 342.277 4.009 20 10 EICDMN Cc1nc(C)c(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])s1 ZINC000273466089 1037472944 /nfs/dbraw/zinc/47/29/44/1037472944.db2.gz DTFKJHZAQMPCCX-MRVPVSSYSA-N 0 1 341.274 4.079 20 10 EICDMN 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ZINC000810215532 1048683980 /nfs/dbraw/zinc/68/39/80/1048683980.db2.gz YYYXUYKLLIUSAO-HNNXBMFYSA-N 0 1 341.377 4.002 20 10 EICDMN CC[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219097 1048686708 /nfs/dbraw/zinc/68/67/08/1048686708.db2.gz FIKVFFYTSYUHAL-KYOSRNDESA-N 0 1 331.378 4.003 20 10 EICDMN CC[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219100 1048688127 /nfs/dbraw/zinc/68/81/27/1048688127.db2.gz FIKVFFYTSYUHAL-ZLDLUXBVSA-N 0 1 331.378 4.003 20 10 EICDMN CC[C@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223499 1048692142 /nfs/dbraw/zinc/69/21/42/1048692142.db2.gz MKXHKQZWRKWMDN-NHYWBVRUSA-N 0 1 331.378 4.267 20 10 EICDMN CC[C@@H]([NH2+]CCc1ccncc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228853 1048695762 /nfs/dbraw/zinc/69/57/62/1048695762.db2.gz MNUGACZMNDHLKA-MRXNPFEDSA-N 0 1 338.373 4.398 20 10 EICDMN CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208220 1048706970 /nfs/dbraw/zinc/70/69/70/1048706970.db2.gz TYWCWXQZOSHSDM-NVXWUHKLSA-N 0 1 339.357 4.185 20 10 EICDMN CC[C@H]([NH2+]Cc1ccc(OC)nc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810210528 1048708414 /nfs/dbraw/zinc/70/84/14/1048708414.db2.gz XCQOMTGVSQOYML-AWEZNQCLSA-N 0 1 340.345 4.056 20 10 EICDMN CC[C@@H](N[C@H](C)c1nnc(C)s1)c1ccc(C(F)(F)F)cc1O ZINC000810236748 1048719881 /nfs/dbraw/zinc/71/98/81/1048719881.db2.gz MNACJADWUKHNNC-PRHODGIISA-N 0 1 345.390 4.373 20 10 EICDMN CC[C@@H]([NH2+][C@H](CO)c1ccsc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236613 1048719963 /nfs/dbraw/zinc/71/99/63/1048719963.db2.gz JBKKEZQQBDYJEY-ZIAGYGMSSA-N 0 1 345.386 4.247 20 10 EICDMN CC[C@@H]([NH2+]Cc1cnn2ccccc12)c1ccc(C(F)(F)F)cc1[O-] ZINC000810240420 1048724961 /nfs/dbraw/zinc/72/49/61/1048724961.db2.gz AQNCJMDCARYROV-OAHLLOKOSA-N 0 1 349.356 4.300 20 10 EICDMN CC[C@@H]([NH2+]CCCOC(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000810240955 1048725353 /nfs/dbraw/zinc/72/53/53/1048725353.db2.gz JLVWZKCOJHBYNV-LLVKDONJSA-N 0 1 327.293 4.081 20 10 EICDMN CC[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000810247609 1048727809 /nfs/dbraw/zinc/72/78/09/1048727809.db2.gz KUMXUHDPXFZYAE-CMKODMSKSA-N 0 1 345.870 4.253 20 10 EICDMN Cc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)c(Cl)c1 ZINC000845928156 1048765607 /nfs/dbraw/zinc/76/56/07/1048765607.db2.gz KAKWBULYCKPLRF-MRXNPFEDSA-N 0 1 344.886 4.336 20 10 EICDMN C[C@H](NCc1c(Cl)cccc1OC(F)F)c1ccccc1O ZINC000845989869 1048774450 /nfs/dbraw/zinc/77/44/50/1048774450.db2.gz KCKSLSRRTUOUAQ-JTQLQIEISA-N 0 1 327.758 4.498 20 10 EICDMN COc1ccc(C[N@H+](C)Cc2ccc3ccccc3c2[O-])cc1OC ZINC000816482086 1048809957 /nfs/dbraw/zinc/80/99/57/1048809957.db2.gz UGNSVAFECXCBMZ-UHFFFAOYSA-N 0 1 337.419 4.195 20 10 EICDMN COc1ccc(C[N@@H+](C)Cc2ccc3ccccc3c2[O-])cc1OC ZINC000816482086 1048809963 /nfs/dbraw/zinc/80/99/63/1048809963.db2.gz UGNSVAFECXCBMZ-UHFFFAOYSA-N 0 1 337.419 4.195 20 10 EICDMN [O-]c1c(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)ccc2ccccc21 ZINC000816491798 1048814523 /nfs/dbraw/zinc/81/45/23/1048814523.db2.gz ZAPJQGYMPWNZJH-HNNXBMFYSA-N 0 1 339.357 4.089 20 10 EICDMN [O-]c1c(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)ccc2ccccc21 ZINC000816491798 1048814528 /nfs/dbraw/zinc/81/45/28/1048814528.db2.gz ZAPJQGYMPWNZJH-HNNXBMFYSA-N 0 1 339.357 4.089 20 10 EICDMN Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc(Cl)c(F)cc1[O-])CCC2 ZINC000816510521 1048822954 /nfs/dbraw/zinc/82/29/54/1048822954.db2.gz YCENIHJHXMVFDI-AWEZNQCLSA-N 0 1 340.851 4.459 20 10 EICDMN COc1cccc([C@@H](C)NCc2coc(-c3ccc(C)cc3)n2)c1O ZINC000846149335 1048823109 /nfs/dbraw/zinc/82/31/09/1048823109.db2.gz YALOVIHLGKSBNS-CQSZACIVSA-N 0 1 338.407 4.215 20 10 EICDMN [O-]c1c(C[NH2+]CCc2cccc3cccnc32)ccc2ccccc21 ZINC000816533726 1048825833 /nfs/dbraw/zinc/82/58/33/1048825833.db2.gz HZXVAMWFLMIIDD-UHFFFAOYSA-N 0 1 328.415 4.426 20 10 EICDMN CN(C)[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])c1ccc(F)cc1 ZINC000816535949 1048825860 /nfs/dbraw/zinc/82/58/60/1048825860.db2.gz HFMWAOGMFABBBY-HXUWFJFHSA-N 0 1 338.426 4.077 20 10 EICDMN Cc1nc(CNCc2ccc3ccccc3c2O)nc2ccccc12 ZINC000816545114 1048826824 /nfs/dbraw/zinc/82/68/24/1048826824.db2.gz DUXGFPCPSHJRSY-UHFFFAOYSA-N 0 1 329.403 4.087 20 10 EICDMN Cc1csc(CCCC[NH2+]Cc2ccc3ccccc3c2[O-])n1 ZINC000816545721 1048828023 /nfs/dbraw/zinc/82/80/23/1048828023.db2.gz FLUQSQQAMVXWJJ-UHFFFAOYSA-N 0 1 326.465 4.423 20 10 EICDMN COCc1cc(C[NH2+]Cc2ccc3ccccc3c2[O-])ccc1F ZINC000816547244 1048828449 /nfs/dbraw/zinc/82/84/49/1048828449.db2.gz PFZKNAKDVOJOLL-UHFFFAOYSA-N 0 1 325.383 4.121 20 10 EICDMN Cc1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816565745 1048836758 /nfs/dbraw/zinc/83/67/58/1048836758.db2.gz AJSQQNBLMPXXQA-UHFFFAOYSA-N 0 1 343.430 4.329 20 10 EICDMN C[C@](O)(C[NH2+]Cc1ccc2ccccc2c1[O-])c1ccccc1Cl ZINC000816570536 1048836930 /nfs/dbraw/zinc/83/69/30/1048836930.db2.gz XYVDFJWIMQZLNR-FQEVSTJZSA-N 0 1 341.838 4.196 20 10 EICDMN COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc3ccccc3c1[O-])C2 ZINC000816567929 1048836941 /nfs/dbraw/zinc/83/69/41/1048836941.db2.gz PMTUGUXTWFFPFG-LJQANCHMSA-N 0 1 333.431 4.201 20 10 EICDMN [O-]c1c(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)ccc2ccccc21 ZINC000816566090 1048837073 /nfs/dbraw/zinc/83/70/73/1048837073.db2.gz LCZNJBYYJMBMTQ-QGZVFWFLSA-N 0 1 333.431 4.446 20 10 EICDMN [O-]c1c(C[N@H+]2CC[C@@H](COc3ccccc3)C2)ccc2ccccc21 ZINC000816566090 1048837078 /nfs/dbraw/zinc/83/70/78/1048837078.db2.gz LCZNJBYYJMBMTQ-QGZVFWFLSA-N 0 1 333.431 4.446 20 10 EICDMN Cc1c(C(=O)NCc2cc(Cl)cc(Cl)c2O)ccn1C(C)C ZINC000816681756 1048853281 /nfs/dbraw/zinc/85/32/81/1048853281.db2.gz GIGQNGZJSDOAIN-UHFFFAOYSA-N 0 1 341.238 4.320 20 10 EICDMN CC[C@H]([NH2+][C@H]1CCO[C@H](CC)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817415730 1048967706 /nfs/dbraw/zinc/96/77/06/1048967706.db2.gz XQHKBXPYXABGFQ-GUTXKFCHSA-N 0 1 331.378 4.409 20 10 EICDMN CC[C@@H]([NH2+][C@H]1CCO[C@H](CC)C1)c1cc(Br)ccc1[O-] ZINC000817586790 1049018217 /nfs/dbraw/zinc/01/82/17/1049018217.db2.gz SGXIZZYSARZBBU-GZBFAFLISA-N 0 1 342.277 4.153 20 10 EICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811518027 1049100058 /nfs/dbraw/zinc/10/00/58/1049100058.db2.gz DKEIITWTMUDZTA-HOCLYGCPSA-N 0 1 342.266 4.233 20 10 EICDMN Cc1cccc(CCC[NH2+][C@@H](C)c2ccc(Br)cc2[O-])n1 ZINC000797015645 1049530103 /nfs/dbraw/zinc/53/01/03/1049530103.db2.gz HNTDOHKRHAOUGF-ZDUSSCGKSA-N 0 1 349.272 4.142 20 10 EICDMN C[C@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1ccc2ccccc2c1[O-] ZINC000812735439 1049554384 /nfs/dbraw/zinc/55/43/84/1049554384.db2.gz RQTWNXRFVGOECA-AWEZNQCLSA-N 0 1 331.419 4.283 20 10 EICDMN CCCN(CCC)c1ccc(CNCc2oc(CC)nc2C)cc1 ZINC000813795709 1049818839 /nfs/dbraw/zinc/81/88/39/1049818839.db2.gz RKTHXJOWTZQVHR-UHFFFAOYSA-N 0 1 329.488 4.462 20 10 EICDMN CCN(CC)c1ccc(CN[C@H](C)c2nc3ccccc3n2C)cc1 ZINC000180027561 1049824800 /nfs/dbraw/zinc/82/48/00/1049824800.db2.gz WBTVOAPSCLETMB-MRXNPFEDSA-N 0 1 336.483 4.270 20 10 EICDMN CCOCc1cc(CNCc2ccccc2OC(C)C)ccc1OC ZINC001177429212 1050217140 /nfs/dbraw/zinc/21/71/40/1050217140.db2.gz SLKDVSYGVXVDGN-UHFFFAOYSA-N 0 1 343.467 4.309 20 10 EICDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccccc2OC(C)C)c1[O-] ZINC000774993369 1050276249 /nfs/dbraw/zinc/27/62/49/1050276249.db2.gz UYVNPRXMORZSCV-ZDUSSCGKSA-N 0 1 345.414 4.372 20 10 EICDMN C[C@@H]1c2ccccc2CCN1Cc1cc(Br)ccc1O ZINC001203635810 1050288587 /nfs/dbraw/zinc/28/85/87/1050288587.db2.gz HHLHOMCVIIIQAX-GFCCVEGCSA-N 0 1 332.241 4.274 20 10 EICDMN [O-]c1cccc(Br)c1C[NH2+]Cc1coc2ccccc12 ZINC001178782203 1050551217 /nfs/dbraw/zinc/55/12/17/1050551217.db2.gz DJMIFJSOVWBSHM-UHFFFAOYSA-N 0 1 332.197 4.191 20 10 EICDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC2(Cc3ccccc3O2)CC1 ZINC001203663730 1050561941 /nfs/dbraw/zinc/56/19/41/1050561941.db2.gz GASRAQKQMIXETN-UHFFFAOYSA-N 0 1 329.827 4.015 20 10 EICDMN COc1cc([O-])c(C[N@@H+]2CCC23CCCCC3)c(Br)c1 ZINC001237065344 1050617534 /nfs/dbraw/zinc/61/75/34/1050617534.db2.gz NBULGKAWSRGLRO-UHFFFAOYSA-N 0 1 340.261 4.072 20 10 EICDMN COc1cc([O-])c(C[N@H+]2CCC23CCCCC3)c(Br)c1 ZINC001237065344 1050617546 /nfs/dbraw/zinc/61/75/46/1050617546.db2.gz NBULGKAWSRGLRO-UHFFFAOYSA-N 0 1 340.261 4.072 20 10 EICDMN Cc1ccccc1C(F)(F)CNCc1cc(Cl)cc(F)c1O ZINC001179247923 1050659367 /nfs/dbraw/zinc/65/93/67/1050659367.db2.gz MRRSGVPFQHULBI-UHFFFAOYSA-N 0 1 329.749 4.375 20 10 EICDMN CCN(C)c1ccc(CN[C@H](C)c2cc(OC)ccc2OC)cc1 ZINC000773826155 1050772157 /nfs/dbraw/zinc/77/21/57/1050772157.db2.gz ZZXPUIJENHXTSL-OAHLLOKOSA-N 0 1 328.456 4.011 20 10 EICDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@H]2CC(C)C)c1 ZINC001180129502 1050881392 /nfs/dbraw/zinc/88/13/92/1050881392.db2.gz UTOCAMRLEUDRDH-AWEZNQCLSA-N 0 1 326.278 4.474 20 10 EICDMN CCCCO[C@H]1C[C@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])C1(C)C ZINC001179961649 1050848821 /nfs/dbraw/zinc/84/88/21/1050848821.db2.gz GWZSSMWHUUCXKC-HOTGVXAUSA-N 0 1 325.880 4.461 20 10 EICDMN CC[N@@H+](Cc1cccc(F)c1[O-])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001180174967 1050894764 /nfs/dbraw/zinc/89/47/64/1050894764.db2.gz QBDSOCXJIHZVHR-QFBILLFUSA-N 0 1 342.458 4.189 20 10 EICDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cc(Br)cs1 ZINC000070937864 1050956351 /nfs/dbraw/zinc/95/63/51/1050956351.db2.gz HQVCDQHPJXPESU-UHFFFAOYSA-N 0 1 332.650 4.159 20 10 EICDMN Oc1ccc(Cl)c(F)c1CN1CCSC[C@@H]1c1ccccc1 ZINC001180378697 1050974190 /nfs/dbraw/zinc/97/41/90/1050974190.db2.gz DMCFDNKUYJJGIC-OAHLLOKOSA-N 0 1 337.847 4.475 20 10 EICDMN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1c(C)cccc1F ZINC000775284588 1051032225 /nfs/dbraw/zinc/03/22/25/1051032225.db2.gz UJNKZSQYULNDRN-UHFFFAOYSA-N 0 1 337.416 4.072 20 10 EICDMN Nc1ccc(OC(=O)c2ccc(Nc3ccc4c[nH]nc4c3)cc2)cc1 ZINC001174501080 1051034515 /nfs/dbraw/zinc/03/45/15/1051034515.db2.gz GDSKSFIPEJXVMQ-UHFFFAOYSA-N 0 1 344.374 4.108 20 10 EICDMN [O-]c1cc(F)c(Cl)cc1CNC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001181276282 1051196062 /nfs/dbraw/zinc/19/60/62/1051196062.db2.gz LLSNSEOXYMQKIE-OAHLLOKOSA-N 0 1 340.870 4.071 20 10 EICDMN [O-]c1cc(F)c(Cl)cc1CNC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001181276282 1051196066 /nfs/dbraw/zinc/19/60/66/1051196066.db2.gz LLSNSEOXYMQKIE-OAHLLOKOSA-N 0 1 340.870 4.071 20 10 EICDMN CC[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cc(Cl)ccc1[O-] ZINC000775487596 1051565550 /nfs/dbraw/zinc/56/55/50/1051565550.db2.gz LHYZQFCZSMHQJU-QGZVFWFLSA-N 0 1 345.874 4.150 20 10 EICDMN CC[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1cc(Cl)ccc1[O-] ZINC000775491160 1051573601 /nfs/dbraw/zinc/57/36/01/1051573601.db2.gz AYWALZYIYVCDMH-QGZVFWFLSA-N 0 1 345.874 4.282 20 10 EICDMN CC[C@@H]([NH2+]Cc1ccccc1-n1cccn1)c1cc(Cl)ccc1[O-] ZINC000775497800 1051617875 /nfs/dbraw/zinc/61/78/75/1051617875.db2.gz UVNJKWRXDGWPGM-QGZVFWFLSA-N 0 1 341.842 4.472 20 10 EICDMN CC[C@@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1cc(Cl)ccc1[O-] ZINC000775500057 1051622037 /nfs/dbraw/zinc/62/20/37/1051622037.db2.gz NINKAEWRXWHXMP-QGZVFWFLSA-N 0 1 346.858 4.470 20 10 EICDMN CC[C@@H]([NH2+]CCc1ccc(NC(C)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000775499231 1051628011 /nfs/dbraw/zinc/62/80/11/1051628011.db2.gz PWMYZQMRFQKCCY-GOSISDBHSA-N 0 1 346.858 4.287 20 10 EICDMN CC[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cc(Cl)ccc1[O-] ZINC000775510021 1051641675 /nfs/dbraw/zinc/64/16/75/1051641675.db2.gz UIXDBBOLOAMTMQ-GOEBONIOSA-N 0 1 325.861 4.056 20 10 EICDMN CC[C@H]([NH2+]CCC[C@@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1[O-] ZINC000775522502 1051693591 /nfs/dbraw/zinc/69/35/91/1051693591.db2.gz RIURVKIXFAWGAE-JQFCIGGWSA-N 0 1 325.880 4.418 20 10 EICDMN CC[C@@H]([NH2+][C@@H](CC)c1cc(Br)ccc1[O-])[C@@H]1CCCO1 ZINC000775525180 1051706371 /nfs/dbraw/zinc/70/63/71/1051706371.db2.gz YFWOLDRMPHIMAH-LZWOXQAQSA-N 0 1 342.277 4.153 20 10 EICDMN CC[C@H]([NH2+][C@@H](CO)[C@H](C)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775525608 1051726627 /nfs/dbraw/zinc/72/66/27/1051726627.db2.gz XPSPNKJSZGYFKJ-BVGQSLNGSA-N 0 1 333.859 4.251 20 10 EICDMN CC[C@@H]([NH2+][C@@H](CCOC)Cc1ccco1)c1cc(Cl)ccc1[O-] ZINC000775552300 1051823662 /nfs/dbraw/zinc/82/36/62/1051823662.db2.gz UERRTHBZGADWPI-WMLDXEAASA-N 0 1 337.847 4.327 20 10 EICDMN COC1(C)CC[NH+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1 ZINC000774640182 1051853802 /nfs/dbraw/zinc/85/38/02/1051853802.db2.gz QAOXDJISLMAXRC-UHFFFAOYSA-N 0 1 329.440 4.018 20 10 EICDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC001183779532 1051894134 /nfs/dbraw/zinc/89/41/34/1051894134.db2.gz OQXLVOTVHNORBM-JTQLQIEISA-N 0 1 341.760 4.452 20 10 EICDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC001183887562 1051914218 /nfs/dbraw/zinc/91/42/18/1051914218.db2.gz ZGDUTHQUFRDGMS-LLVKDONJSA-N 0 1 340.851 4.096 20 10 EICDMN Cc1ccc(CNC(=O)c2cc(O)c(O)c(Cl)c2)c2ccccc12 ZINC001193626252 1051956416 /nfs/dbraw/zinc/95/64/16/1051956416.db2.gz SWNAOUDOEKJMLD-UHFFFAOYSA-N 0 1 341.794 4.143 20 10 EICDMN CN(Cc1cc(-c2ccccc2)n[nH]1)Cc1c(O)ccc(Cl)c1F ZINC001184239830 1051975964 /nfs/dbraw/zinc/97/59/64/1051975964.db2.gz RCJKCHFAVOWASL-UHFFFAOYSA-N 0 1 345.805 4.207 20 10 EICDMN C[C@@H]([NH2+]CCCOCC(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000184992848 1052346763 /nfs/dbraw/zinc/34/67/63/1052346763.db2.gz ANPOANIWRDSJCV-GFCCVEGCSA-N 0 1 327.346 4.165 20 10 EICDMN C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc2ccccc2c1[O-] ZINC000185095743 1052410042 /nfs/dbraw/zinc/41/00/42/1052410042.db2.gz BLWPWRWBKXZROH-BFUOFWGJSA-N 0 1 325.383 4.069 20 10 EICDMN CN(Cc1ccccc1O)Cc1ccc(F)c(Br)c1F ZINC001238087036 1052472869 /nfs/dbraw/zinc/47/28/69/1052472869.db2.gz NOVSTHLUCUZJOC-UHFFFAOYSA-N 0 1 342.183 4.065 20 10 EICDMN CCc1nc(CC[NH2+][C@H](C)c2ccc3ccccc3c2[O-])cs1 ZINC000185310785 1052575342 /nfs/dbraw/zinc/57/53/42/1052575342.db2.gz IUXTXKMGIITLOM-CYBMUJFWSA-N 0 1 326.465 4.458 20 10 EICDMN COc1cc(CN[C@H](C)c2ncc(C)s2)c(O)c(C(C)(C)C)c1 ZINC000850177533 1053082749 /nfs/dbraw/zinc/08/27/49/1053082749.db2.gz XCXQPJPLBOYFBD-GFCCVEGCSA-N 0 1 334.485 4.314 20 10 EICDMN CCCCN1CCc2ccc(NCc3ccc(F)c(F)c3O)cc21 ZINC000864030854 1053166242 /nfs/dbraw/zinc/16/62/42/1053166242.db2.gz RCSQFZGEXYCAMG-UHFFFAOYSA-N 0 1 332.394 4.445 20 10 EICDMN C[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1cc(Br)ccc1[O-] ZINC000850483510 1053255502 /nfs/dbraw/zinc/25/55/02/1053255502.db2.gz 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ZINC000775651117 1053380962 /nfs/dbraw/zinc/38/09/62/1053380962.db2.gz ZKKPCGNHRNQNHF-IBGZPJMESA-N 0 1 338.838 4.452 20 10 EICDMN CC[C@H](N[C@@H](c1nccn1C)c1ccccc1)c1ccc(C)cc1O ZINC000794793270 1053387947 /nfs/dbraw/zinc/38/79/47/1053387947.db2.gz NMFOPEVGIXYADL-AZUAARDMSA-N 0 1 335.451 4.264 20 10 EICDMN COCCCC[N@@H+](Cc1ccccc1)Cc1cccc(Cl)c1[O-] ZINC000775660342 1053422328 /nfs/dbraw/zinc/42/23/28/1053422328.db2.gz DWCCQKPNPWOZDF-UHFFFAOYSA-N 0 1 333.859 4.474 20 10 EICDMN Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000775658115 1053424079 /nfs/dbraw/zinc/42/40/79/1053424079.db2.gz MBGGZDLCTBPRTC-QGZVFWFLSA-N 0 1 341.842 4.269 20 10 EICDMN Cc1cc(Cl)cc(CN(Cc2ccco2)C[C@@H]2CCCO2)c1O ZINC000775661941 1053428852 /nfs/dbraw/zinc/42/88/52/1053428852.db2.gz SDWSATSJRICKHC-KRWDZBQOSA-N 0 1 335.831 4.128 20 10 EICDMN C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@H](c2ccccc2)O1 ZINC000775661061 1053429486 /nfs/dbraw/zinc/42/94/86/1053429486.db2.gz IASKGRKTAXQQJY-YVEFUNNKSA-N 0 1 335.806 4.147 20 10 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[O-]c1ccc2oc3c(c2c1C[N@@H+]1CCC2(C1)CCOCC2)CCCC3 ZINC000743405455 1058991044 /nfs/dbraw/zinc/99/10/44/1058991044.db2.gz KQJOXQYMBPTSTA-UHFFFAOYSA-N 0 1 341.451 4.020 20 10 EICDMN [O-]c1ccc2oc3c(c2c1C[N@H+]1CCC2(C1)CCOCC2)CCCC3 ZINC000743405455 1058991068 /nfs/dbraw/zinc/99/10/68/1058991068.db2.gz KQJOXQYMBPTSTA-UHFFFAOYSA-N 0 1 341.451 4.020 20 10 EICDMN CCC[N@@H+](CCC(=O)Nc1ccccc1Cl)Cc1ccccc1O ZINC000103479517 1061040661 /nfs/dbraw/zinc/04/06/61/1061040661.db2.gz FEHGUMRNWNSJLJ-UHFFFAOYSA-N 0 1 346.858 4.286 20 10 EICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1sccc1Cl ZINC000807837247 1047521699 /nfs/dbraw/zinc/52/16/99/1047521699.db2.gz IQWMZNUFELSQGN-UHFFFAOYSA-N 0 1 336.627 4.344 20 10 EICDMN C[C@H](NCc1nc2cc(Cl)ccc2n1C)c1ccc(N(C)C)cc1 ZINC000274774211 1019430096 /nfs/dbraw/zinc/43/00/96/1019430096.db2.gz JCXCQVSTDCNIBQ-ZDUSSCGKSA-N 0 1 342.874 4.144 20 10 EICDMN CC[C@H]([NH2+][C@@H]1CC[C@H](SC)C1)c1cc(Br)ccc1[O-] ZINC000300419583 1020197930 /nfs/dbraw/zinc/19/79/30/1020197930.db2.gz 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EICDMN CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810229710 1048698180 /nfs/dbraw/zinc/69/81/80/1048698180.db2.gz ICOFSNJQYOWUPX-PJODQICGSA-N 0 1 331.378 4.267 20 10 EICDMN CC[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237999 1048719368 /nfs/dbraw/zinc/71/93/68/1048719368.db2.gz WQWLBLHJFMSTOV-JLJPHGGASA-N 0 1 343.389 4.409 20 10 EICDMN CC[C@@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237376 1048720096 /nfs/dbraw/zinc/72/00/96/1048720096.db2.gz GUWCMJIVGUCZPD-DZGCQCFKSA-N 0 1 331.378 4.003 20 10 EICDMN CC[C@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236797 1048720264 /nfs/dbraw/zinc/72/02/64/1048720264.db2.gz NKDSPLMMYBVATQ-UONOGXRCSA-N 0 1 343.345 4.168 20 10 EICDMN CC[C@H]([NH2+][C@@H](C(C)C)C(C)(C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810239762 1048721093 /nfs/dbraw/zinc/72/10/93/1048721093.db2.gz ZHFYVXYIYDUCSP-ZFWWWQNUSA-N 0 1 333.394 4.247 20 10 EICDMN CN(C)c1ccc(/C=C\CN2CCC3(CC2)C(F)(F)C3(F)F)cc1 ZINC000846016685 1048785279 /nfs/dbraw/zinc/78/52/79/1048785279.db2.gz ZPMZQZDFTRRTBO-ARJAWSKDSA-N 0 1 342.380 4.132 20 10 EICDMN Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846056736 1048795140 /nfs/dbraw/zinc/79/51/40/1048795140.db2.gz YQIPDCLKJBYQDZ-UHFFFAOYSA-N 0 1 347.871 4.230 20 10 EICDMN [O-]c1c(C[NH2+]CCc2nc3c(s2)CCCC3)ccc2ccccc21 ZINC000816550563 1048828223 /nfs/dbraw/zinc/82/82/23/1048828223.db2.gz UZDFOHKXPMSUQQ-UHFFFAOYSA-N 0 1 338.476 4.213 20 10 EICDMN COc1cccc([C@@H](C)N[C@H](COCC(C)C)c2ccco2)c1O ZINC000846143669 1048831590 /nfs/dbraw/zinc/83/15/90/1048831590.db2.gz FPJJSYJMTMRCJX-GDBMZVCRSA-N 0 1 333.428 4.058 20 10 EICDMN CCN(C)c1ccc([C@H](C)N[C@@H](c2ccccc2F)[C@H](C)O)cc1 ZINC000846181496 1048835494 /nfs/dbraw/zinc/83/54/94/1048835494.db2.gz BOINGSSGLGEAGI-AUSJPIAWSA-N 0 1 330.447 4.055 20 10 EICDMN C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816565975 1048836836 /nfs/dbraw/zinc/83/68/36/1048836836.db2.gz HVMKAUVKHWIJJD-WPRPVWTQSA-N 0 1 325.733 4.348 20 10 EICDMN Cc1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])c(N2CCCC2)n1 ZINC000816566367 1048837443 /nfs/dbraw/zinc/83/74/43/1048837443.db2.gz SRSUJHWRYQCZQL-UHFFFAOYSA-N 0 1 347.462 4.139 20 10 EICDMN Oc1c(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)ccc2ccccc21 ZINC000816610912 1048844101 /nfs/dbraw/zinc/84/41/01/1048844101.db2.gz CGYWLFYXHXZJJJ-DLBZAZTESA-N 0 1 325.452 4.184 20 10 EICDMN [O-]c1c(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)ccc2ccccc21 ZINC000816610912 1048844104 /nfs/dbraw/zinc/84/41/04/1048844104.db2.gz CGYWLFYXHXZJJJ-DLBZAZTESA-N 0 1 325.452 4.184 20 10 EICDMN [O-]c1c(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)ccc2ccccc21 ZINC000816610912 1048844108 /nfs/dbraw/zinc/84/41/08/1048844108.db2.gz CGYWLFYXHXZJJJ-DLBZAZTESA-N 0 1 325.452 4.184 20 10 EICDMN CC[C@@H]([NH2+][C@@H]1CCO[C@H](CC)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817415733 1048967241 /nfs/dbraw/zinc/96/72/41/1048967241.db2.gz XQHKBXPYXABGFQ-UMVBOHGHSA-N 0 1 331.378 4.409 20 10 EICDMN COc1ccc([C@H](NCc2ccc3c(c2)CCO3)C2CC2)c(F)c1 ZINC000817573139 1049004017 /nfs/dbraw/zinc/00/40/17/1049004017.db2.gz BNLMIUOFEHSYSA-HXUWFJFHSA-N 0 1 327.399 4.010 20 10 EICDMN CC(C)c1scnc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000811528774 1049109135 /nfs/dbraw/zinc/10/91/35/1049109135.db2.gz HHLJYJNZTZLHQV-UHFFFAOYSA-N 0 1 345.251 4.209 20 10 EICDMN C[C@@H]1C[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CCC1(F)F ZINC000811780081 1049263119 /nfs/dbraw/zinc/26/31/19/1049263119.db2.gz VGIPFMCZMQINIL-GFCCVEGCSA-N 0 1 335.394 4.494 20 10 EICDMN C[C@@H]1C[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CCC1(F)F ZINC000811780081 1049263132 /nfs/dbraw/zinc/26/31/32/1049263132.db2.gz VGIPFMCZMQINIL-GFCCVEGCSA-N 0 1 335.394 4.494 20 10 EICDMN COc1cc(F)c([C@@H](C)NCc2ccc(N(C)C)c(C)c2)cc1OC ZINC000772994805 1049385887 /nfs/dbraw/zinc/38/58/87/1049385887.db2.gz BNHXQDHFRXHWCL-CQSZACIVSA-N 0 1 346.446 4.068 20 10 EICDMN CC[C@H]([NH2+][C@@H](C)c1ccns1)c1cc(Br)ccc1[O-] ZINC000715992937 1049665939 /nfs/dbraw/zinc/66/59/39/1049665939.db2.gz HGOZYPLNBBKPFG-CABZTGNLSA-N 0 1 341.274 4.413 20 10 EICDMN C[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1Br ZINC000037363173 1049704003 /nfs/dbraw/zinc/70/40/03/1049704003.db2.gz XAUWBFHUKNFCLT-LBPRGKRZSA-N 0 1 332.241 4.235 20 10 EICDMN Cc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(Br)cc1[O-])CC2 ZINC001172830970 1050169809 /nfs/dbraw/zinc/16/98/09/1050169809.db2.gz LNJMPPTUERGDHW-QGZVFWFLSA-N 0 1 346.268 4.110 20 10 EICDMN C[C@@H](Cc1c(F)cccc1Cl)N1CCCc2cc(O)c(O)cc2C1 ZINC001172862352 1050198073 /nfs/dbraw/zinc/19/80/73/1050198073.db2.gz QMQCUWMKLLMGBB-LBPRGKRZSA-N 0 1 349.833 4.270 20 10 EICDMN CN(C)c1ccc(/C=C\CNCc2ccccc2Br)cc1 ZINC001177541949 1050248863 /nfs/dbraw/zinc/24/88/63/1050248863.db2.gz GMBVDHCPBHOSAH-WAYWQWQTSA-N 0 1 345.284 4.318 20 10 EICDMN CCC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC001204237369 1050617570 /nfs/dbraw/zinc/61/75/70/1050617570.db2.gz LTPVPRQCXJNEOC-JCURWCKSSA-N 0 1 341.854 4.210 20 10 EICDMN COc1ccc(O)c([C@H](C)NCc2cc(-c3ccc(C)cc3)no2)c1 ZINC000182363377 1050628147 /nfs/dbraw/zinc/62/81/47/1050628147.db2.gz GDBDAFNZLWRODI-AWEZNQCLSA-N 0 1 338.407 4.215 20 10 EICDMN COc1ccc(O)c([C@@H](C)NCc2csc(-c3ccccc3)n2)c1 ZINC000182426490 1050652890 /nfs/dbraw/zinc/65/28/90/1050652890.db2.gz BGXHJHYEVGZCMQ-CYBMUJFWSA-N 0 1 340.448 4.375 20 10 EICDMN COc1ccc(O)c([C@H](C)NCc2nc(-c3cccs3)oc2C)c1 ZINC000182460385 1050671714 /nfs/dbraw/zinc/67/17/14/1050671714.db2.gz ROVCYEXYPPKMHT-NSHDSACASA-N 0 1 344.436 4.277 20 10 EICDMN COCc1ccc(CNCc2cc(C)n(-c3cccc(C)c3)c2C)o1 ZINC001179332782 1050676924 /nfs/dbraw/zinc/67/69/24/1050676924.db2.gz DXDSMZFLGSNIJV-UHFFFAOYSA-N 0 1 338.451 4.432 20 10 EICDMN Cc1nn(-c2ccc(C)cc2)cc1CN(C)Cc1ccc(N(C)C)cc1 ZINC001179845592 1050797910 /nfs/dbraw/zinc/79/79/10/1050797910.db2.gz VLBUDTLUGLUSJG-UHFFFAOYSA-N 0 1 348.494 4.187 20 10 EICDMN C[C@H]1SCC[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@@H]1c1ccccc1 ZINC001179938940 1050824295 /nfs/dbraw/zinc/82/42/95/1050824295.db2.gz ZVGHYZKCEIHGTG-PXAZEXFGSA-N 0 1 335.419 4.349 20 10 EICDMN Cc1cc(O)c(C[N@H+]2CCCN(c3ccccc3)CC2)cc1Cl ZINC001179969438 1050851213 /nfs/dbraw/zinc/85/12/13/1050851213.db2.gz FFMKGSDULFNKEJ-UHFFFAOYSA-N 0 1 330.859 4.066 20 10 EICDMN Cc1cc([O-])c(C[N@@H+]2CCCN(c3ccccc3)CC2)cc1Cl ZINC001179969438 1050851223 /nfs/dbraw/zinc/85/12/23/1050851223.db2.gz FFMKGSDULFNKEJ-UHFFFAOYSA-N 0 1 330.859 4.066 20 10 EICDMN Cc1cc([O-])c(C[N@H+]2CCCN(c3ccccc3)CC2)cc1Cl ZINC001179969438 1050851228 /nfs/dbraw/zinc/85/12/28/1050851228.db2.gz FFMKGSDULFNKEJ-UHFFFAOYSA-N 0 1 330.859 4.066 20 10 EICDMN C[C@@H](c1ccco1)[N@H+](Cc1ccc(Br)cc1[O-])C1CC1 ZINC001180064711 1050872996 /nfs/dbraw/zinc/87/29/96/1050872996.db2.gz SKDFBUCTEZXOTR-NSHDSACASA-N 0 1 336.229 4.473 20 10 EICDMN C[C@@H](c1ccco1)[N@@H+](Cc1ccc(Br)cc1[O-])C1CC1 ZINC001180064711 1050873001 /nfs/dbraw/zinc/87/30/01/1050873001.db2.gz SKDFBUCTEZXOTR-NSHDSACASA-N 0 1 336.229 4.473 20 10 EICDMN C[N@@H+](CCOc1cccc(Cl)c1)Cc1c([O-])ccc(Cl)c1F ZINC001180437948 1050990066 /nfs/dbraw/zinc/99/00/66/1050990066.db2.gz SBYRYWZETOSSHA-UHFFFAOYSA-N 0 1 344.213 4.349 20 10 EICDMN CN(C)c1ccc(C[N@H+](Cc2ccc(Cl)cc2[O-])C2CC2)cc1 ZINC001180558822 1051034719 /nfs/dbraw/zinc/03/47/19/1051034719.db2.gz WKNLPPZLMBRMML-UHFFFAOYSA-N 0 1 330.859 4.276 20 10 EICDMN CN(C)c1ccc(C[N@@H+](Cc2ccc(Cl)cc2[O-])C2CC2)cc1 ZINC001180558822 1051034734 /nfs/dbraw/zinc/03/47/34/1051034734.db2.gz WKNLPPZLMBRMML-UHFFFAOYSA-N 0 1 330.859 4.276 20 10 EICDMN COc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)cc(F)c2[O-])c(OC)c1 ZINC001180585851 1051044008 /nfs/dbraw/zinc/04/40/08/1051044008.db2.gz OSMCJVYVVARVHV-QGZVFWFLSA-N 0 1 349.377 4.025 20 10 EICDMN CCC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@H](O)c1ccccc1 ZINC001181419200 1051219495 /nfs/dbraw/zinc/21/94/95/1051219495.db2.gz WCEOWXOWGMLRDK-PKOBYXMFSA-N 0 1 333.859 4.346 20 10 EICDMN CN(Cc1nc(-c2ccccc2)c[nH]1)Cc1cc(Cl)cc(F)c1O ZINC001181544632 1051250543 /nfs/dbraw/zinc/25/05/43/1051250543.db2.gz TXFKGWPRGBDXJG-UHFFFAOYSA-N 0 1 345.805 4.207 20 10 EICDMN CC[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775483563 1051556536 /nfs/dbraw/zinc/55/65/36/1051556536.db2.gz YFWKUTPLHPJUFA-ZDUSSCGKSA-N 0 1 333.303 4.328 20 10 EICDMN CC[C@@H]([NH2+]Cc1ccc(OC(C)C)nc1)c1cc(Cl)ccc1[O-] ZINC000775486507 1051560534 /nfs/dbraw/zinc/56/05/34/1051560534.db2.gz CJHJQAVZNFGFIR-MRXNPFEDSA-N 0 1 334.847 4.469 20 10 EICDMN CC[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1cc(Cl)ccc1[O-] ZINC000775490301 1051575695 /nfs/dbraw/zinc/57/56/95/1051575695.db2.gz VPTNUPXHJUNCJR-SFHVURJKSA-N 0 1 341.842 4.472 20 10 EICDMN CC[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1cc(Cl)ccc1[O-] ZINC000775492491 1051585088 /nfs/dbraw/zinc/58/50/88/1051585088.db2.gz OHLXXPRBVFUYIX-SFHVURJKSA-N 0 1 341.842 4.472 20 10 EICDMN CC[C@H]([NH2+]CCCOCC(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000775492032 1051586390 /nfs/dbraw/zinc/58/63/90/1051586390.db2.gz KQRTVJVAXVOJHZ-LBPRGKRZSA-N 0 1 325.758 4.055 20 10 EICDMN CC[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1cc(Cl)ccc1[O-] ZINC000775492488 1051594633 /nfs/dbraw/zinc/59/46/33/1051594633.db2.gz OHLXXPRBVFUYIX-GOSISDBHSA-N 0 1 341.842 4.472 20 10 EICDMN CC[C@@H]([NH2+][C@@H](C)Cc1c(C)nn(C)c1C)c1cc(Cl)ccc1[O-] ZINC000775509074 1051648831 /nfs/dbraw/zinc/64/88/31/1051648831.db2.gz NAUHJTGONDAILH-APPDUMDISA-N 0 1 335.879 4.068 20 10 EICDMN CC[C@@H]([NH2+][C@H](C)Cc1c(C)nn(C)c1C)c1cc(Cl)ccc1[O-] ZINC000775509083 1051648925 /nfs/dbraw/zinc/64/89/25/1051648925.db2.gz NAUHJTGONDAILH-PIGZYNQJSA-N 0 1 335.879 4.068 20 10 EICDMN CC[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1cc(Cl)ccc1[O-] ZINC000775521903 1051689588 /nfs/dbraw/zinc/68/95/88/1051689588.db2.gz DKWBUFGOSXBBMI-JLJPHGGASA-N 0 1 341.904 4.141 20 10 EICDMN CC[C@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1[O-] ZINC000775522501 1051694231 /nfs/dbraw/zinc/69/42/31/1051694231.db2.gz RIURVKIXFAWGAE-COXVUDFISA-N 0 1 325.880 4.418 20 10 EICDMN CC[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)c1cc(Cl)ccc1[O-] ZINC000775523955 1051699798 /nfs/dbraw/zinc/69/97/98/1051699798.db2.gz BRFOQEIKXRRRCA-LQKXBSAESA-N 0 1 343.945 4.466 20 10 EICDMN CC[C@H]([NH2+][C@H](CO)[C@@H](C)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775525609 1051725493 /nfs/dbraw/zinc/72/54/93/1051725493.db2.gz XPSPNKJSZGYFKJ-DOPJRALCSA-N 0 1 333.859 4.251 20 10 EICDMN [O-]c1c(Cl)cccc1C[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC001182910725 1051741940 /nfs/dbraw/zinc/74/19/40/1051741940.db2.gz PKXJONRWTOGHEI-HNNXBMFYSA-N 0 1 325.786 4.402 20 10 EICDMN CC[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775551015 1051819308 /nfs/dbraw/zinc/81/93/08/1051819308.db2.gz GDCFYQRLYBFBOR-SJLPKXTDSA-N 0 1 333.859 4.080 20 10 EICDMN Oc1cc2c(cc1O)CN(Cc1ccc(C(F)(F)F)cc1)CCC2 ZINC001204165514 1051874775 /nfs/dbraw/zinc/87/47/75/1051874775.db2.gz CUXKGVQKJNLOPD-UHFFFAOYSA-N 0 1 337.341 4.065 20 10 EICDMN O=C(Nc1ncccc1-c1ccccc1)c1cc(O)c(O)c(Cl)c1 ZINC001193590053 1051950850 /nfs/dbraw/zinc/95/08/50/1051950850.db2.gz UZXZHHIWVXRYDA-UHFFFAOYSA-N 0 1 340.766 4.066 20 10 EICDMN Cc1ccccc1CC(C)(C)CNC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193633849 1051959192 /nfs/dbraw/zinc/95/91/92/1051959192.db2.gz IWTQZSZKNRHKDW-UHFFFAOYSA-N 0 1 347.842 4.058 20 10 EICDMN C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc2ccccc2c1[O-] ZINC000184944630 1052330961 /nfs/dbraw/zinc/33/09/61/1052330961.db2.gz UECYBRDNEVVYBT-ORAYPTAESA-N 0 1 325.383 4.069 20 10 EICDMN C[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc2ccccc2c1[O-] ZINC000185121709 1052443984 /nfs/dbraw/zinc/44/39/84/1052443984.db2.gz QQQNXUNTTLRSJR-CYBMUJFWSA-N 0 1 325.383 4.028 20 10 EICDMN COC[C@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1ccc(C)o1 ZINC000185630738 1052662415 /nfs/dbraw/zinc/66/24/15/1052662415.db2.gz KEBURQOQHAEHBN-KSSFIOAISA-N 0 1 329.440 4.211 20 10 EICDMN CC[C@@H]([NH2+]CCc1noc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000850483485 1053252309 /nfs/dbraw/zinc/25/23/09/1053252309.db2.gz QGYILKJYXCLJTH-OAHLLOKOSA-N 0 1 330.815 4.470 20 10 EICDMN COc1ccc(N2CC[C@@H](N[C@@H](C)c3csc(C(C)C)n3)C2)cc1 ZINC000850488784 1053257066 /nfs/dbraw/zinc/25/70/66/1053257066.db2.gz OSJGBOFIWGEWGQ-LSDHHAIUSA-N 0 1 345.512 4.205 20 10 EICDMN CSCC1(CC[NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000850506156 1053264087 /nfs/dbraw/zinc/26/40/87/1053264087.db2.gz HMSFSBUDBQDULH-NSHDSACASA-N 0 1 344.318 4.339 20 10 EICDMN CC[C@@H]([NH2+][C@H](COC)c1cccc(OC)c1)c1cc(Cl)ccc1[O-] ZINC000850515533 1053271756 /nfs/dbraw/zinc/27/17/56/1053271756.db2.gz YBLPFHBPBXYINI-QZTJIDSGSA-N 0 1 349.858 4.483 20 10 EICDMN C[C@H]([NH2+]CCCOC(C)(C)C)c1cc(Br)ccc1[O-] ZINC000850526262 1053284358 /nfs/dbraw/zinc/28/43/58/1053284358.db2.gz OOGWWJDUFHJGPE-NSHDSACASA-N 0 1 330.266 4.011 20 10 EICDMN C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775647658 1053366968 /nfs/dbraw/zinc/36/69/68/1053366968.db2.gz XHMGQNIUEZFEPT-UHFFFAOYSA-N 0 1 345.805 4.002 20 10 EICDMN CCN(C)c1ccc([C@@H](C)NCc2cccnc2OC(C)C)cc1 ZINC000764985807 1053405551 /nfs/dbraw/zinc/40/55/51/1053405551.db2.gz VDFNXOMKQGOAPI-MRXNPFEDSA-N 0 1 327.472 4.176 20 10 EICDMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000775665175 1053443255 /nfs/dbraw/zinc/44/32/55/1053443255.db2.gz ZQMMMJVXZFRXDK-JKSUJKDBSA-N 0 1 336.907 4.132 20 10 EICDMN CC(C)(C[NH2+]Cc1cc(Br)ccc1[O-])CC(F)(F)F ZINC000853096303 1053644850 /nfs/dbraw/zinc/64/48/50/1053644850.db2.gz WPKYYOONJQRIFQ-UHFFFAOYSA-N 0 1 340.183 4.223 20 10 EICDMN C[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000853242515 1053658064 /nfs/dbraw/zinc/65/80/64/1053658064.db2.gz PZRYSOZSNPXOAK-SECBINFHSA-N 0 1 330.737 4.310 20 10 EICDMN C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000775715069 1053663268 /nfs/dbraw/zinc/66/32/68/1053663268.db2.gz BGEAEPGAOHNUKA-YVEFUNNKSA-N 0 1 335.806 4.147 20 10 EICDMN [O-]c1c(Cl)cccc1C[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000775724745 1053698505 /nfs/dbraw/zinc/69/85/05/1053698505.db2.gz KAUBEXQBTDLBDV-IBGZPJMESA-N 0 1 345.870 4.308 20 10 EICDMN Cc1ncc([C@@H](C)[NH2+][C@H](C)c2ccc(Br)cc2[O-])s1 ZINC000866455226 1053738387 /nfs/dbraw/zinc/73/83/87/1053738387.db2.gz KDJAIRYTMZHKGQ-RKDXNWHRSA-N 0 1 341.274 4.331 20 10 EICDMN COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1cccc(Cl)c1[O-] ZINC000775739831 1053744710 /nfs/dbraw/zinc/74/47/10/1053744710.db2.gz IXELFEJUZWHRGB-UHFFFAOYSA-N 0 1 347.842 4.001 20 10 EICDMN Cc1nn(C)c(Cl)c1CN(Cc1ccccc1O)C1CCCC1 ZINC000113506132 1053958386 /nfs/dbraw/zinc/95/83/86/1053958386.db2.gz GBXZJVNQHWXURH-UHFFFAOYSA-N 0 1 333.863 4.032 20 10 EICDMN CN(Cc1ccc(N2CCCCC2)cc1)Cc1cncc(Cl)c1 ZINC000856718943 1054098347 /nfs/dbraw/zinc/09/83/47/1054098347.db2.gz NPKMFAZAJZRIGZ-UHFFFAOYSA-N 0 1 329.875 4.357 20 10 EICDMN Cc1nc(C(F)(F)F)c(CN[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775832301 1054103406 /nfs/dbraw/zinc/10/34/06/1054103406.db2.gz YGHBXVFTEBHJGB-SNVBAGLBSA-N 0 1 343.418 4.387 20 10 EICDMN COC(=O)c1ccc(Cl)c(CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775834286 1054122538 /nfs/dbraw/zinc/12/25/38/1054122538.db2.gz QEZJAMAULSOTSG-CYBMUJFWSA-N 0 1 346.858 4.043 20 10 EICDMN FC(F)(F)c1sccc1CNCc1ccc2c(c1)CCCO2 ZINC001203320485 1054402642 /nfs/dbraw/zinc/40/26/42/1054402642.db2.gz MJPFQMJSCAMVBE-UHFFFAOYSA-N 0 1 327.371 4.382 20 10 EICDMN CC(C)OCc1ccccc1CNCc1cc(F)c(N(C)C)cc1F ZINC000858090198 1054414798 /nfs/dbraw/zinc/41/47/98/1054414798.db2.gz CTOZTIGWQOYRSF-UHFFFAOYSA-N 0 1 348.437 4.246 20 10 EICDMN CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1c([O-])cccc1Br ZINC000858158677 1054426676 /nfs/dbraw/zinc/42/66/76/1054426676.db2.gz OIPXGJBVYNVAPE-NSHDSACASA-N 0 1 340.183 4.221 20 10 EICDMN CCOc1ccc(CNC2(c3c(F)cccc3F)CCC2)c(O)c1 ZINC000858343184 1054468282 /nfs/dbraw/zinc/46/82/82/1054468282.db2.gz YKXAPUVHTOJKRD-UHFFFAOYSA-N 0 1 333.378 4.238 20 10 EICDMN CN(C)c1ccc(CN[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1F ZINC001199812092 1054474933 /nfs/dbraw/zinc/47/49/33/1054474933.db2.gz HGEDUSOKVUFNLA-VQTJNVASSA-N 0 1 346.421 4.041 20 10 EICDMN C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])c1ccns1 ZINC000858576202 1054523344 /nfs/dbraw/zinc/52/33/44/1054523344.db2.gz JEBYVVWMNPYOST-IUCAKERBSA-N 0 1 327.247 4.023 20 10 EICDMN COc1ccc(O)c([C@H](C)NC2(c3c(F)cccc3F)CCC2)c1 ZINC000858603112 1054532271 /nfs/dbraw/zinc/53/22/71/1054532271.db2.gz RERSDHQVLAWHPA-LBPRGKRZSA-N 0 1 333.378 4.409 20 10 EICDMN C[N@@H+](Cc1ccc(Cl)nc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000125739665 1054853350 /nfs/dbraw/zinc/85/33/50/1054853350.db2.gz JPFIJMMLVPZOND-UHFFFAOYSA-N 0 1 331.630 4.379 20 10 EICDMN CC(C)Oc1ccc(NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC001201573297 1054853949 /nfs/dbraw/zinc/85/39/49/1054853949.db2.gz UBUJDWXUZQHVCV-UHFFFAOYSA-N 0 1 327.211 4.493 20 10 EICDMN Cc1cc([O-])c(C[NH2+]CCc2cn(C)c3cc(F)ccc23)c(Cl)c1 ZINC001202092814 1055029373 /nfs/dbraw/zinc/02/93/73/1055029373.db2.gz NZPRYROCEOBMAW-UHFFFAOYSA-N 0 1 346.833 4.317 20 10 EICDMN CC(C)(C)c1ncc2c(n1)CCN(Cc1ccc3ccccc3c1O)C2 ZINC000862441517 1055069271 /nfs/dbraw/zinc/06/92/71/1055069271.db2.gz VVKPFXUEJSPYSL-UHFFFAOYSA-N 0 1 347.462 4.191 20 10 EICDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000877735890 1055112540 /nfs/dbraw/zinc/11/25/40/1055112540.db2.gz LEDIHNKRAWKLQK-UHFFFAOYSA-N 0 1 347.846 4.076 20 10 EICDMN C[C@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1cc(Cl)ccc1[O-] ZINC000765821087 1055669017 /nfs/dbraw/zinc/66/90/17/1055669017.db2.gz YSMIPOPTMNRYAE-APPDUMDISA-N 0 1 340.250 4.257 20 10 EICDMN CCN(C)c1ccc(CN(C)Cc2ccc(Br)o2)cc1 ZINC000741753785 1058363201 /nfs/dbraw/zinc/36/32/01/1058363201.db2.gz BGECUYRTFKLRPD-UHFFFAOYSA-N 0 1 337.261 4.130 20 10 EICDMN C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)Oc1ccc(Cl)cc1 ZINC000742388770 1058586481 /nfs/dbraw/zinc/58/64/81/1058586481.db2.gz SBSUZXCBTWAZTK-NSHDSACASA-N 0 1 326.223 4.256 20 10 EICDMN C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)Oc1ccccc1Cl ZINC000742379007 1058604666 /nfs/dbraw/zinc/60/46/66/1058604666.db2.gz HWQLNNJYWIFLRW-NSHDSACASA-N 0 1 326.223 4.256 20 10 EICDMN Cc1cc(CNCc2cn3ccccc3n2)c(C)n1-c1ccccc1 ZINC000743699761 1059089781 /nfs/dbraw/zinc/08/97/81/1059089781.db2.gz TVRKYSUNWIJHMM-UHFFFAOYSA-N 0 1 330.435 4.032 20 10 EICDMN CCc1cccc(CNCc2ccsc2Br)c1O ZINC000691434272 1061125334 /nfs/dbraw/zinc/12/53/34/1061125334.db2.gz MADOUNCOAOEAMV-UHFFFAOYSA-N 0 1 326.259 4.068 20 10 EICDMN COc1ccc(O)c([C@@H](C)NCc2c(F)ccc(F)c2Cl)c1 ZINC000529568545 1032461093 /nfs/dbraw/zinc/46/10/93/1032461093.db2.gz BHRHZVZZXOWHIY-SECBINFHSA-N 0 1 327.758 4.183 20 10 EICDMN COc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1OC ZINC000083526316 1021476537 /nfs/dbraw/zinc/47/65/37/1021476537.db2.gz CXIAFSANRWLFPJ-UHFFFAOYSA-N 0 1 328.195 4.328 20 10 EICDMN CC[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)c1cc(Br)ccc1[O-] ZINC000312097733 1022635642 /nfs/dbraw/zinc/63/56/42/1022635642.db2.gz SGVDHWIKJPKXDG-ZYHUDNBSSA-N 0 1 334.204 4.383 20 10 EICDMN CCN(C)c1ccc([C@H](C)N[C@@H]2CCOc3ccc(F)cc32)cc1 ZINC000180718568 1022805918 /nfs/dbraw/zinc/80/59/18/1022805918.db2.gz XVORDIGIMNCLRR-IFXJQAMLSA-N 0 1 328.431 4.456 20 10 EICDMN CCC(F)(F)C(C)(C)C[NH2+]Cc1c([O-])cccc1Br ZINC000706831893 1022885823 /nfs/dbraw/zinc/88/58/23/1022885823.db2.gz TXKIVNWCKJGTBV-UHFFFAOYSA-N 0 1 336.220 4.316 20 10 EICDMN CCNC(=O)Nc1cccc(N[C@H](C)c2ccc(F)c(F)c2O)c1C ZINC000278806396 1022896666 /nfs/dbraw/zinc/89/66/66/1022896666.db2.gz NHDAGUIVMFYMRG-LLVKDONJSA-N 0 1 349.381 4.293 20 10 EICDMN C[C@H]([NH2+]CCc1cn2ccccc2n1)c1ccc2ccccc2c1[O-] ZINC000184969761 1022980333 /nfs/dbraw/zinc/98/03/33/1022980333.db2.gz BZDNJOHIPHZOSI-HNNXBMFYSA-N 0 1 331.419 4.086 20 10 EICDMN C[C@H](Cc1cccs1)[N@@H+](C)Cc1c(O)cccc1Br ZINC001204563385 1023359627 /nfs/dbraw/zinc/35/96/27/1023359627.db2.gz ADGIQNCNIBZQSL-LLVKDONJSA-N 0 1 340.286 4.279 20 10 EICDMN C[C@H](Cc1cccs1)[N@H+](C)Cc1c([O-])cccc1Br ZINC001204563385 1023359632 /nfs/dbraw/zinc/35/96/32/1023359632.db2.gz ADGIQNCNIBZQSL-LLVKDONJSA-N 0 1 340.286 4.279 20 10 EICDMN C[C@H](Cc1cccs1)[N@@H+](C)Cc1c([O-])cccc1Br ZINC001204563385 1023359639 /nfs/dbraw/zinc/35/96/39/1023359639.db2.gz ADGIQNCNIBZQSL-LLVKDONJSA-N 0 1 340.286 4.279 20 10 EICDMN Cc1ccc(CN2CCc3ccc(Br)cc3C2)c(O)c1 ZINC001140950936 1023367620 /nfs/dbraw/zinc/36/76/20/1023367620.db2.gz PTMUTFNQVBXUMK-UHFFFAOYSA-N 0 1 332.241 4.021 20 10 EICDMN C[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1ccc(Br)cc1[O-] ZINC000834913174 1023412657 /nfs/dbraw/zinc/41/26/57/1023412657.db2.gz ZMRUMLGHWGJLIE-NWDGAFQWSA-N 0 1 342.277 4.011 20 10 EICDMN CC[C@@H]([NH2+]Cc1cnccc1C)c1cc(Br)ccc1[O-] ZINC000162622085 1023624073 /nfs/dbraw/zinc/62/40/73/1023624073.db2.gz UBFXIJTZQONEKG-OAHLLOKOSA-N 0 1 335.245 4.099 20 10 EICDMN CC[C@@H]([NH2+][C@@H](C)c1cccnc1)c1cc(Br)ccc1[O-] ZINC000020127691 1023736740 /nfs/dbraw/zinc/73/67/40/1023736740.db2.gz WXKMKJBXRNXUFK-XHDPSFHLSA-N 0 1 335.245 4.352 20 10 EICDMN CN(Cc1sccc1NC(=O)OC(C)(C)C)Cc1ccccc1O ZINC000891714325 1023899417 /nfs/dbraw/zinc/89/94/17/1023899417.db2.gz WSGXYIVAVZMPPD-UHFFFAOYSA-N 0 1 348.468 4.433 20 10 EICDMN Cc1noc2ncc(C[N@@H+](Cc3ccccc3O)C3CCCC3)cc12 ZINC000894016582 1033266775 /nfs/dbraw/zinc/26/67/75/1033266775.db2.gz GKANTHMIOCPZTN-UHFFFAOYSA-N 0 1 337.423 4.182 20 10 EICDMN CCN(C)c1ccc([C@H](C)NCc2cccc(OC)c2OC)cc1 ZINC000165949516 1025455138 /nfs/dbraw/zinc/45/51/38/1025455138.db2.gz QTEKVALGSSXEEF-HNNXBMFYSA-N 0 1 328.456 4.011 20 10 EICDMN COc1cc(F)c([C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000168553668 1026191322 /nfs/dbraw/zinc/19/13/22/1026191322.db2.gz KCXUGLTVKHVGMC-KGLIPLIRSA-N 0 1 346.446 4.321 20 10 EICDMN C[S@](=O)c1cccc(NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000121776848 1026202413 /nfs/dbraw/zinc/20/24/13/1026202413.db2.gz POUMPODDWGDANZ-HXUWFJFHSA-N 0 1 330.236 4.049 20 10 EICDMN Cn1cnnc1-c1cccc(NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000122644196 1026547178 /nfs/dbraw/zinc/54/71/78/1026547178.db2.gz VNAMVYXWOVSTBW-UHFFFAOYSA-N 0 1 349.221 4.107 20 10 EICDMN CC[C@@H](NCc1nnc(-c2ccccc2)s1)c1ccccc1O ZINC000155806800 1028528935 /nfs/dbraw/zinc/52/89/35/1028528935.db2.gz IWBGLYPHCBGWHI-OAHLLOKOSA-N 0 1 325.437 4.152 20 10 EICDMN CO[C@@](C)([C@@H](C)[NH2+][C@H](C)c1cc(Br)ccc1[O-])C1CC1 ZINC000840859104 1029628561 /nfs/dbraw/zinc/62/85/61/1029628561.db2.gz GLNCIXWWGAQREG-UVWXRNBGSA-N 0 1 342.277 4.009 20 10 EICDMN COc1ccc(CNC2(c3ccc(F)cc3F)CCOCC2)cc1C ZINC000089802542 1029853864 /nfs/dbraw/zinc/85/38/64/1029853864.db2.gz ZPMGCHQSQXBDGY-UHFFFAOYSA-N 0 1 347.405 4.077 20 10 EICDMN CC[C@@H]([NH2+]CC[C@H]1CCCOC1)c1cc(Br)ccc1[O-] ZINC000527926429 1030926705 /nfs/dbraw/zinc/92/67/05/1030926705.db2.gz KYFPNXUHQYHGBT-IUODEOHRSA-N 0 1 342.277 4.012 20 10 EICDMN COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2[O-])c(OC)c1 ZINC000527974114 1030985505 /nfs/dbraw/zinc/98/55/05/1030985505.db2.gz NFEICTXYCWTIOO-NEPJUHHUSA-N 0 1 335.831 4.475 20 10 EICDMN COc1ccc([C@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2[O-])c(OC)c1 ZINC000527974164 1030986097 /nfs/dbraw/zinc/98/60/97/1030986097.db2.gz ODHNIBHDRNMHMD-NWDGAFQWSA-N 0 1 335.831 4.475 20 10 EICDMN COc1ccc([C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C2CC2)cn1 ZINC000528042631 1031056161 /nfs/dbraw/zinc/05/61/61/1031056161.db2.gz GDCVFNYAGCOAGO-VOJFVSQTSA-N 0 1 332.831 4.251 20 10 EICDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2cccc(OC(C)C)c2)c1[O-] ZINC000179683115 1031272016 /nfs/dbraw/zinc/27/20/16/1031272016.db2.gz XNEKPNXNZQPTCJ-ZDUSSCGKSA-N 0 1 345.414 4.372 20 10 EICDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000179800450 1031299777 /nfs/dbraw/zinc/29/97/77/1031299777.db2.gz VPSNPXHFVWASPY-UHFFFAOYSA-N 0 1 331.843 4.227 20 10 EICDMN COc1ccc(O)c([C@H](C)N[C@@H](c2ccccc2)c2ccccn2)c1 ZINC000359975286 1031902378 /nfs/dbraw/zinc/90/23/78/1031902378.db2.gz QPTBEQNGHPLEED-BTYIYWSLSA-N 0 1 334.419 4.236 20 10 EICDMN CC(C)(C[NH2+]Cc1cc(Br)ccc1[O-])c1ccccc1 ZINC000227437125 1035798643 /nfs/dbraw/zinc/79/86/43/1035798643.db2.gz AHROBDHKXQFPOX-UHFFFAOYSA-N 0 1 334.257 4.222 20 10 EICDMN CCOC1CC[NH+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1 ZINC000060445392 1036102699 /nfs/dbraw/zinc/10/26/99/1036102699.db2.gz GQRLRBPFZQTGTB-UHFFFAOYSA-N 0 1 329.440 4.018 20 10 EICDMN CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(Br)ccc2[O-])CCO1 ZINC000273447919 1037467918 /nfs/dbraw/zinc/46/79/18/1037467918.db2.gz FOMVTVQHQJFZLU-GHJWDPDVSA-N 0 1 342.277 4.009 20 10 EICDMN C[C@@H]([NH2+]Cc1nn(C)c2ccccc12)c1ccc2ccccc2c1[O-] ZINC000760895658 1037606555 /nfs/dbraw/zinc/60/65/55/1037606555.db2.gz AOEAGRWQPMPOCP-CQSZACIVSA-N 0 1 331.419 4.283 20 10 EICDMN COc1cc(C)cc(CN[C@@H](C)c2nc3ccccc3s2)c1O ZINC000894275992 1037826874 /nfs/dbraw/zinc/82/68/74/1037826874.db2.gz GNVOAWVTKVJATO-LBPRGKRZSA-N 0 1 328.437 4.170 20 10 EICDMN Oc1c(Cl)cc(Cl)cc1CNc1ccc(Br)nc1 ZINC000225944743 1037855469 /nfs/dbraw/zinc/85/54/69/1037855469.db2.gz NUTDIPNANPPLCG-UHFFFAOYSA-N 0 1 348.027 4.469 20 10 EICDMN Cc1cc([C@H](C)NCc2ccc(N3CCSCC3)cc2)oc1C ZINC000800477443 1038240546 /nfs/dbraw/zinc/24/05/46/1038240546.db2.gz VFRCWQIJPJQUAQ-HNNXBMFYSA-N 0 1 330.497 4.300 20 10 EICDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000715726640 1043167779 /nfs/dbraw/zinc/16/77/79/1043167779.db2.gz VBJHASGDEDIDPI-QMTHXVAHSA-N 0 1 328.225 4.058 20 10 EICDMN CCCN(Cc1ccccc1O)Cc1cc(C(C)=O)ccc1OCC ZINC000727831314 1043311132 /nfs/dbraw/zinc/31/11/32/1043311132.db2.gz VQLRIPVELQWMIK-UHFFFAOYSA-N 0 1 341.451 4.406 20 10 EICDMN Cc1ccc(NCc2ccc(F)c(F)c2O)c(Br)c1 ZINC000703366038 1044140738 /nfs/dbraw/zinc/14/07/38/1044140738.db2.gz SPRBXHKFRLCCGT-UHFFFAOYSA-N 0 1 328.156 4.353 20 10 EICDMN COc1ccc(CN[C@H](C)c2cc(OC)c(OC)cc2F)cc1C ZINC000734004504 1044454002 /nfs/dbraw/zinc/45/40/02/1044454002.db2.gz LPWIOQMFCRGJKA-CYBMUJFWSA-N 0 1 333.403 4.011 20 10 EICDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1coc2ccccc12 ZINC000734003991 1044454349 /nfs/dbraw/zinc/45/43/49/1044454349.db2.gz GBWLBDDUEXLYST-UHFFFAOYSA-N 0 1 332.197 4.191 20 10 EICDMN CN(C)c1ccc(CN[C@H]2CCCc3cccnc32)c(C(F)(F)F)c1 ZINC000922883357 1045022642 /nfs/dbraw/zinc/02/26/42/1045022642.db2.gz IFAOCHXHEYRNCT-KRWDZBQOSA-N 0 1 349.400 4.334 20 10 EICDMN C[C@H](NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1cn[nH]c1 ZINC000763144469 1045543291 /nfs/dbraw/zinc/54/32/91/1045543291.db2.gz XLCTZCOAGAASNK-AWEZNQCLSA-N 0 1 348.410 4.114 20 10 EICDMN C[C@@H](O)[C@@](C)(C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])Cc1ccccc1 ZINC000790726722 1045571059 /nfs/dbraw/zinc/57/10/59/1045571059.db2.gz JFKLEXUTCRXBGW-BXTJHSDWSA-N 0 1 347.886 4.326 20 10 EICDMN COc1cc(O)c(CN2CCC[C@@H]2c2ccc(F)c(F)c2)cc1OC ZINC000768447071 1045809103 /nfs/dbraw/zinc/80/91/03/1045809103.db2.gz MBFZSFGZMQDNCA-MRXNPFEDSA-N 0 1 349.377 4.025 20 10 EICDMN COc1cc(Br)cc(C[N@H+](C)[C@H](C)C(C)(C)C)c1[O-] ZINC000768545153 1045822433 /nfs/dbraw/zinc/82/24/33/1045822433.db2.gz TYLBZJGJMGAZHI-SNVBAGLBSA-N 0 1 330.266 4.030 20 10 EICDMN COc1cc(Br)cc(C[N@@H+](C)[C@H](C)C(C)(C)C)c1[O-] ZINC000768545153 1045822435 /nfs/dbraw/zinc/82/24/35/1045822435.db2.gz TYLBZJGJMGAZHI-SNVBAGLBSA-N 0 1 330.266 4.030 20 10 EICDMN C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000768893874 1045854625 /nfs/dbraw/zinc/85/46/25/1045854625.db2.gz UHJSVAUKJVRJFT-GFCCVEGCSA-N 0 1 340.250 4.082 20 10 EICDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000792167772 1045872594 /nfs/dbraw/zinc/87/25/94/1045872594.db2.gz QWMDTQLUZRUMRV-KRWDZBQOSA-N 0 1 335.806 4.148 20 10 EICDMN C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000792174661 1045873205 /nfs/dbraw/zinc/87/32/05/1045873205.db2.gz YFFUGKYQDMVCGD-BDAKNGLRSA-N 0 1 325.733 4.348 20 10 EICDMN COc1cccc(O)c1CN(CCC(F)(F)F)Cc1ccccc1 ZINC000792193084 1045875760 /nfs/dbraw/zinc/87/57/60/1045875760.db2.gz QENKDHPADKATPF-UHFFFAOYSA-N 0 1 339.357 4.355 20 10 EICDMN C[C@@H](c1ccco1)[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000769101183 1045879156 /nfs/dbraw/zinc/87/91/56/1045879156.db2.gz BCSMBFROXGQLPC-JTQLQIEISA-N 0 1 336.775 4.272 20 10 EICDMN [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000769107596 1045880836 /nfs/dbraw/zinc/88/08/36/1045880836.db2.gz YOUGIVAFHOHFBW-MRXNPFEDSA-N 0 1 348.240 4.197 20 10 EICDMN CCOc1ccc(CN2C[C@@H](c3ccccc3C)OC[C@@H]2C)c(O)c1 ZINC000769476118 1045992093 /nfs/dbraw/zinc/99/20/93/1045992093.db2.gz WHWBONVTIAZHLC-KKSFZXQISA-N 0 1 341.451 4.061 20 10 EICDMN CCOc1ccc(O)c(CN2C[C@H](c3ccccc3C)OC[C@H]2C)c1 ZINC000769474911 1045992183 /nfs/dbraw/zinc/99/21/83/1045992183.db2.gz SZAPBCADSGPMPO-IIBYNOLFSA-N 0 1 341.451 4.061 20 10 EICDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000769499927 1045997561 /nfs/dbraw/zinc/99/75/61/1045997561.db2.gz XTYKGXTYRPOKEI-UKRRQHHQSA-N 0 1 342.302 4.015 20 10 EICDMN [O-]c1ccc(Br)cc1C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000769499927 1045997577 /nfs/dbraw/zinc/99/75/77/1045997577.db2.gz XTYKGXTYRPOKEI-UKRRQHHQSA-N 0 1 342.302 4.015 20 10 EICDMN [O-]c1c(Br)cccc1C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000769499865 1045997711 /nfs/dbraw/zinc/99/77/11/1045997711.db2.gz WZLCDKXDSSWZJR-KGLIPLIRSA-N 0 1 342.302 4.015 20 10 EICDMN CCN(CC)c1ccc(CNCc2nn(CC)c3ccccc23)cc1 ZINC000769911004 1046094447 /nfs/dbraw/zinc/09/44/47/1046094447.db2.gz WIOXFNZUICROQH-UHFFFAOYSA-N 0 1 336.483 4.192 20 10 EICDMN O=[N+]([O-])c1cc(Cl)cc(CNc2cccc3cc[nH+]cc32)c1[O-] ZINC000770571971 1046223295 /nfs/dbraw/zinc/22/32/95/1046223295.db2.gz ZSQWJNJVCQNLLD-UHFFFAOYSA-N 0 1 329.743 4.114 20 10 EICDMN CC[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cc(Cl)ccc1[O-] ZINC000793576092 1046299894 /nfs/dbraw/zinc/29/98/94/1046299894.db2.gz XNTXPDRMOAFZKJ-MRXNPFEDSA-N 0 1 329.831 4.205 20 10 EICDMN CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1c([O-])ccc2ccncc21 ZINC000785518254 1046701917 /nfs/dbraw/zinc/70/19/17/1046701917.db2.gz WUEQWEOBZWWEOW-UHFFFAOYSA-N 0 1 331.419 4.444 20 10 EICDMN CC[N@H+](Cc1c[nH]c2ccccc12)Cc1c([O-])ccc2ccncc21 ZINC000785518254 1046701903 /nfs/dbraw/zinc/70/19/03/1046701903.db2.gz WUEQWEOBZWWEOW-UHFFFAOYSA-N 0 1 331.419 4.444 20 10 EICDMN Cc1nc(F)ccc1CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000787044317 1046899824 /nfs/dbraw/zinc/89/98/24/1046899824.db2.gz ZSOCKMIUBKWJNY-UHFFFAOYSA-N 0 1 327.447 4.151 20 10 EICDMN Oc1ccc2ccncc2c1CN(Cc1ccc(F)cc1F)C1CC1 ZINC000917475821 1046900995 /nfs/dbraw/zinc/90/09/95/1046900995.db2.gz YTEJIGWWYZTPAQ-UHFFFAOYSA-N 0 1 340.373 4.383 20 10 EICDMN CC[C@@H]([NH2+]C[C@@H](c1ccnn1C)C(C)C)c1cc(Cl)ccc1[O-] ZINC000788258312 1047145385 /nfs/dbraw/zinc/14/53/85/1047145385.db2.gz HFEXIMJUKHXFDN-HZPDHXFCSA-N 0 1 335.879 4.260 20 10 EICDMN CC[C@H]([NH2+]C1CCN(C2CCCC2)CC1)c1cccc(Cl)c1[O-] ZINC000806141309 1047167333 /nfs/dbraw/zinc/16/73/33/1047167333.db2.gz IGDVUYVSEOVCPG-SFHVURJKSA-N 0 1 336.907 4.493 20 10 EICDMN C[C@@H](N[C@H]1CCCC1(F)F)c1cc(Br)c(F)cc1O ZINC000806180963 1047204432 /nfs/dbraw/zinc/20/44/32/1047204432.db2.gz UMIWUASJKNRAPO-KRTXAFLBSA-N 0 1 338.167 4.132 20 10 EICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cccc(Cl)n1 ZINC000806336015 1047236658 /nfs/dbraw/zinc/23/66/58/1047236658.db2.gz HHGNKSSGRBDQNX-UHFFFAOYSA-N 0 1 346.601 4.069 20 10 EICDMN Cc1c(F)cccc1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806326985 1047237186 /nfs/dbraw/zinc/23/71/86/1047237186.db2.gz XIMNINICMRXLRS-UHFFFAOYSA-N 0 1 343.185 4.468 20 10 EICDMN Cc1cscc1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806362223 1047251627 /nfs/dbraw/zinc/25/16/27/1047251627.db2.gz UUIYOSVTOYYPBP-UHFFFAOYSA-N 0 1 331.224 4.391 20 10 EICDMN C[C@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000788621398 1047252724 /nfs/dbraw/zinc/25/27/24/1047252724.db2.gz XLLUDUPPMWIFSN-JKSUJKDBSA-N 0 1 328.431 4.099 20 10 EICDMN CC(C)[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@@H](O)c1ccccc1 ZINC000788622550 1047254216 /nfs/dbraw/zinc/25/42/16/1047254216.db2.gz RIFOHCNESGQMBV-BKTGTZMESA-N 0 1 333.859 4.454 20 10 EICDMN Cc1cccc(F)c1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806397179 1047257757 /nfs/dbraw/zinc/25/77/57/1047257757.db2.gz VREKTXUJBWFFOX-UHFFFAOYSA-N 0 1 343.185 4.468 20 10 EICDMN O=C(Cc1ccccc1Cl)NCc1cc(Cl)cc(Cl)c1O ZINC000807834588 1047520627 /nfs/dbraw/zinc/52/06/27/1047520627.db2.gz OJBDFSGZJROHTP-UHFFFAOYSA-N 0 1 344.625 4.211 20 10 EICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc(Cl)cs1 ZINC000807836920 1047522934 /nfs/dbraw/zinc/52/29/34/1047522934.db2.gz UNEGMQXNCMVNSE-UHFFFAOYSA-N 0 1 336.627 4.344 20 10 EICDMN CC(C)C[C@H](C)OCCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838624 1047522987 /nfs/dbraw/zinc/52/29/87/1047522987.db2.gz ZIPAXMMBFWYYLJ-NSHDSACASA-N 0 1 348.270 4.157 20 10 EICDMN CCc1ccc([C@H]2C[N@H+](Cc3c([O-])ccc4ccncc43)CCO2)cc1 ZINC000790458658 1047592525 /nfs/dbraw/zinc/59/25/25/1047592525.db2.gz CWYJFGSTAJMVOL-JOCHJYFZSA-N 0 1 348.446 4.076 20 10 EICDMN CCc1ccc([C@H]2C[N@@H+](Cc3c([O-])ccc4ccncc43)CCO2)cc1 ZINC000790458658 1047592536 /nfs/dbraw/zinc/59/25/36/1047592536.db2.gz CWYJFGSTAJMVOL-JOCHJYFZSA-N 0 1 348.446 4.076 20 10 EICDMN CC[C@@H]([NH2+]CCc1scnc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000824737582 1047905502 /nfs/dbraw/zinc/90/55/02/1047905502.db2.gz CQWQCMWVKDJQCQ-CYBMUJFWSA-N 0 1 344.402 4.459 20 10 EICDMN CCOc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])cc1OC ZINC000825106977 1048037658 /nfs/dbraw/zinc/03/76/58/1048037658.db2.gz AGCJPVIUJSAPFB-UHFFFAOYSA-N 0 1 335.831 4.051 20 10 EICDMN C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(Br)cc2[O-])o1 ZINC000825125056 1048039585 /nfs/dbraw/zinc/03/95/85/1048039585.db2.gz FEGGBCGUAFVRSV-QMTHXVAHSA-N 0 1 336.229 4.161 20 10 EICDMN CCCC(=O)Nc1cccc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])c1 ZINC000825120839 1048041094 /nfs/dbraw/zinc/04/10/94/1048041094.db2.gz NJTYIQDIZSJJGP-UHFFFAOYSA-N 0 1 346.858 4.382 20 10 EICDMN COc1cc(O)c(CN2CCC[C@H]2c2ccc(F)cc2F)cc1OC ZINC000825215573 1048051369 /nfs/dbraw/zinc/05/13/69/1048051369.db2.gz RBHDCNCNPUPGSR-INIZCTEOSA-N 0 1 349.377 4.025 20 10 EICDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000825311405 1048075437 /nfs/dbraw/zinc/07/54/37/1048075437.db2.gz JVXNELYPFYOFFT-INIZCTEOSA-N 0 1 337.872 4.101 20 10 EICDMN COc1ccc(F)c(CNCc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000815124457 1048338891 /nfs/dbraw/zinc/33/88/91/1048338891.db2.gz YYSJTOBONOZWAH-UHFFFAOYSA-N 0 1 342.458 4.360 20 10 EICDMN CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2[O-])CS1 ZINC000809712775 1048491428 /nfs/dbraw/zinc/49/14/28/1048491428.db2.gz DYKARDBVUIUKTK-JSGCOSHPSA-N 0 1 344.318 4.165 20 10 EICDMN COc1ccccc1O[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000809710979 1048491794 /nfs/dbraw/zinc/49/17/94/1048491794.db2.gz FLXPCJCJEBLPLD-HNNXBMFYSA-N 0 1 347.842 4.098 20 10 EICDMN C[C@@H]([NH2+]C1CCN(C2CCC2)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815570502 1048507170 /nfs/dbraw/zinc/50/71/70/1048507170.db2.gz DOIBKDSOGATZMU-GFCCVEGCSA-N 0 1 342.405 4.079 20 10 EICDMN CC[C@H](c1ccncc1)[N@@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000809765225 1048523800 /nfs/dbraw/zinc/52/38/00/1048523800.db2.gz LLRZPAXMDYMEHS-MRXNPFEDSA-N 0 1 349.272 4.441 20 10 EICDMN C[C@@]1(F)CCCCN(Cc2cc(Br)c(F)cc2O)C1 ZINC001144298299 1048574306 /nfs/dbraw/zinc/57/43/06/1048574306.db2.gz AYWLTXZGTDFDMZ-CQSZACIVSA-N 0 1 334.204 4.008 20 10 EICDMN CC[C@H]([NH2+]CCOCC(F)(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000810212858 1048681104 /nfs/dbraw/zinc/68/11/04/1048681104.db2.gz ZRWOXEPJRWSSAX-NSHDSACASA-N 0 1 345.283 4.031 20 10 EICDMN CC[C@H]([NH2+][C@H](C)c1cn(C)nc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215207 1048684493 /nfs/dbraw/zinc/68/44/93/1048684493.db2.gz AMJBNRHINMGZKE-BMIGLBTASA-N 0 1 341.377 4.255 20 10 EICDMN CC[C@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208221 1048706050 /nfs/dbraw/zinc/70/60/50/1048706050.db2.gz TYWCWXQZOSHSDM-RDJZCZTQSA-N 0 1 339.357 4.185 20 10 EICDMN CC[C@H]([NH2+]Cc1ccnc(OC)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810210219 1048709544 /nfs/dbraw/zinc/70/95/44/1048709544.db2.gz PLAOKPDRFZNCRN-AWEZNQCLSA-N 0 1 340.345 4.056 20 10 EICDMN CN(Cc1ccc(N2CCCC2)cc1)Cc1cccnc1C(F)(F)F ZINC001144531615 1048715976 /nfs/dbraw/zinc/71/59/76/1048715976.db2.gz PIBNLYCLVGIWMJ-UHFFFAOYSA-N 0 1 349.400 4.333 20 10 EICDMN Cc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c(Cl)c1 ZINC000845928154 1048763950 /nfs/dbraw/zinc/76/39/50/1048763950.db2.gz KAKWBULYCKPLRF-INIZCTEOSA-N 0 1 344.886 4.336 20 10 EICDMN Cc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])c(C)c1 ZINC000846055815 1048808186 /nfs/dbraw/zinc/80/81/86/1048808186.db2.gz OLFOAYXMDXRNRI-AWEZNQCLSA-N 0 1 346.858 4.169 20 10 EICDMN CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846055584 1048808517 /nfs/dbraw/zinc/80/85/17/1048808517.db2.gz NIXGYCJIODIQMN-CYBMUJFWSA-N 0 1 346.858 4.115 20 10 EICDMN Cc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])c(C)c1 ZINC000846055816 1048808594 /nfs/dbraw/zinc/80/85/94/1048808594.db2.gz OLFOAYXMDXRNRI-CQSZACIVSA-N 0 1 346.858 4.169 20 10 EICDMN [O-]c1cc(F)c(Cl)cc1C[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000816510969 1048822520 /nfs/dbraw/zinc/82/25/20/1048822520.db2.gz KXRQMPIFGPMAOA-GOSISDBHSA-N 0 1 349.833 4.057 20 10 EICDMN CN(C)[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])c1ccc(F)cc1 ZINC000816535948 1048825569 /nfs/dbraw/zinc/82/55/69/1048825569.db2.gz HFMWAOGMFABBBY-FQEVSTJZSA-N 0 1 338.426 4.077 20 10 EICDMN COc1cc2c(cc1C[NH2+]Cc1ccc3ccccc3c1[O-])O[C@@H](C)C2 ZINC000816534522 1048825659 /nfs/dbraw/zinc/82/56/59/1048825659.db2.gz LOYKEYKAWDRAGD-AWEZNQCLSA-N 0 1 349.430 4.167 20 10 EICDMN Cc1ccc([C@H](C[NH2+]Cc2ccc3ccccc3c2[O-])N(C)C)cc1 ZINC000816543585 1048826514 /nfs/dbraw/zinc/82/65/14/1048826514.db2.gz GZBXXKLZGPNNFF-NRFANRHFSA-N 0 1 334.463 4.246 20 10 EICDMN COc1ccc(O[C@@H](C)C[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816554686 1048833723 /nfs/dbraw/zinc/83/37/23/1048833723.db2.gz GSEOCWPEXASNIA-HNNXBMFYSA-N 0 1 337.419 4.111 20 10 EICDMN CC[C@H]([NH2+][C@H](c1ccccc1F)[C@H](C)O)c1cc(Cl)ccc1[O-] ZINC000846183461 1048836900 /nfs/dbraw/zinc/83/69/00/1048836900.db2.gz OKYDGAFPVJYBJE-PBQZTSCYSA-N 0 1 337.822 4.348 20 10 EICDMN [O-]c1c(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)ccc2ccccc12 ZINC000816593709 1048840979 /nfs/dbraw/zinc/84/09/79/1048840979.db2.gz BDHQFKTZPMILBJ-GOSISDBHSA-N 0 1 345.801 4.161 20 10 EICDMN [O-]c1c(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)ccc2ccccc12 ZINC000816593710 1048841051 /nfs/dbraw/zinc/84/10/51/1048841051.db2.gz BDHQFKTZPMILBJ-SFHVURJKSA-N 0 1 345.801 4.161 20 10 EICDMN C[C@@H](N[C@@H](CO)c1cccc(F)c1)c1ccc(N2CCCCC2)cc1 ZINC000773006072 1049520660 /nfs/dbraw/zinc/52/06/60/1049520660.db2.gz BVJZBBMHYGLHCS-IERDGZPVSA-N 0 1 342.458 4.200 20 10 EICDMN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000773255406 1049674021 /nfs/dbraw/zinc/67/40/21/1049674021.db2.gz AKVBBGATRAVCNN-IRXDYDNUSA-N 0 1 325.452 4.184 20 10 EICDMN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000773255406 1049674033 /nfs/dbraw/zinc/67/40/33/1049674033.db2.gz AKVBBGATRAVCNN-IRXDYDNUSA-N 0 1 325.452 4.184 20 10 EICDMN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000773255407 1049674986 /nfs/dbraw/zinc/67/49/86/1049674986.db2.gz AKVBBGATRAVCNN-SJORKVTESA-N 0 1 325.452 4.184 20 10 EICDMN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000773255407 1049674988 /nfs/dbraw/zinc/67/49/88/1049674988.db2.gz AKVBBGATRAVCNN-SJORKVTESA-N 0 1 325.452 4.184 20 10 EICDMN CC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])c1cc(F)ccc1F ZINC000179803404 1049765640 /nfs/dbraw/zinc/76/56/40/1049765640.db2.gz GDXRFCABNXWSQH-QGZVFWFLSA-N 0 1 337.341 4.253 20 10 EICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc[nH]c1C1CCC1 ZINC000813682884 1049808705 /nfs/dbraw/zinc/80/87/05/1049808705.db2.gz MJGOMSRXYGJKAK-UHFFFAOYSA-N 0 1 339.222 4.225 20 10 EICDMN CC[C@H](N[C@H](C)c1cc(Br)c(F)cc1O)C(F)(F)F ZINC000786973693 1049844605 /nfs/dbraw/zinc/84/46/05/1049844605.db2.gz JKPDKHJGRGZNKO-KBUNVGBDSA-N 0 1 344.146 4.285 20 10 EICDMN Cc1cc(N(C)C)ccc1CN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000823851614 1049881335 /nfs/dbraw/zinc/88/13/35/1049881335.db2.gz RRIMUMMHGGMTPZ-INIZCTEOSA-N 0 1 334.385 4.255 20 10 EICDMN C[C@H](NC/C=C\c1ccc(N(C)C)cc1)c1nc2ccccc2n1C ZINC001177904501 1050324830 /nfs/dbraw/zinc/32/48/30/1050324830.db2.gz JOGVLJHPCGHNJA-PTZVLDCSSA-N 0 1 334.467 4.003 20 10 EICDMN C[C@H]1SCC[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@H]1c1ccccc1 ZINC001179938943 1050823954 /nfs/dbraw/zinc/82/39/54/1050823954.db2.gz ZVGHYZKCEIHGTG-SJKOYZFVSA-N 0 1 335.419 4.349 20 10 EICDMN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2c(C)cc(OC)cc2O)C1(CC)CC ZINC001179950751 1050827504 /nfs/dbraw/zinc/82/75/04/1050827504.db2.gz HHTPXAFAXQNDPO-RTBURBONSA-N 0 1 335.488 4.125 20 10 EICDMN CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(F)c(F)c2[O-])s1 ZINC001179905741 1050829563 /nfs/dbraw/zinc/82/95/63/1050829563.db2.gz NVPVQXNDDWBXNB-JTQLQIEISA-N 0 1 326.412 4.191 20 10 EICDMN C[N@@H+](CCCOc1ccc(F)cc1)Cc1c([O-])ccc(Cl)c1F ZINC001179984484 1050842698 /nfs/dbraw/zinc/84/26/98/1050842698.db2.gz RDHDYCVULZHJEG-UHFFFAOYSA-N 0 1 341.785 4.225 20 10 EICDMN C[C@@H](C[N@H+](C)Cc1c([O-])cccc1Br)c1ccccc1 ZINC001180072303 1050873252 /nfs/dbraw/zinc/87/32/52/1050873252.db2.gz QHKSORODCDCGOW-ZDUSSCGKSA-N 0 1 334.257 4.390 20 10 EICDMN C[C@@H](C[N@@H+](C)Cc1c([O-])cccc1Br)c1ccccc1 ZINC001180072303 1050873255 /nfs/dbraw/zinc/87/32/55/1050873255.db2.gz QHKSORODCDCGOW-ZDUSSCGKSA-N 0 1 334.257 4.390 20 10 EICDMN Cc1ccccc1[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC001180288129 1050956214 /nfs/dbraw/zinc/95/62/14/1050956214.db2.gz BPWMAQZKVNUSNK-CQSZACIVSA-N 0 1 346.268 4.453 20 10 EICDMN Cc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC001180288129 1050956231 /nfs/dbraw/zinc/95/62/31/1050956231.db2.gz BPWMAQZKVNUSNK-CQSZACIVSA-N 0 1 346.268 4.453 20 10 EICDMN Cc1cc(N(C)C)ccc1CN(C)Cc1ccc(Br)o1 ZINC001180392762 1050977406 /nfs/dbraw/zinc/97/74/06/1050977406.db2.gz HQBSPFWADMDLCR-UHFFFAOYSA-N 0 1 337.261 4.049 20 10 EICDMN CN(C)c1cc(F)c(CN[C@]2(C)CCCc3ccccc32)cc1F ZINC001180778644 1051083395 /nfs/dbraw/zinc/08/33/95/1051083395.db2.gz GBJNUHNJFYLXOD-HXUWFJFHSA-N 0 1 330.422 4.372 20 10 EICDMN CCOc1ccc2c(c1)[C@H]([NH2+]Cc1c([O-])cccc1Cl)CCO2 ZINC000775345590 1051115675 /nfs/dbraw/zinc/11/56/75/1051115675.db2.gz PKNFDYBKUSBWGU-MRXNPFEDSA-N 0 1 333.815 4.058 20 10 EICDMN COc1ccc(O)c([C@H](C)NCc2cc(-c3ccc(F)cc3)no2)c1 ZINC000775375523 1051156457 /nfs/dbraw/zinc/15/64/57/1051156457.db2.gz MJTUBFLFIIJDPI-LBPRGKRZSA-N 0 1 342.370 4.046 20 10 EICDMN CC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1cc(Cl)ccc1[O-] ZINC000775484340 1051556096 /nfs/dbraw/zinc/55/60/96/1051556096.db2.gz BRZCWLOGGBKXJV-NVXWUHKLSA-N 0 1 340.250 4.473 20 10 EICDMN C[C@H](NCc1ccc(N2CCSCC2)cc1)c1ccc(Cl)cn1 ZINC000775490564 1051575195 /nfs/dbraw/zinc/57/51/95/1051575195.db2.gz CUBPARLTEZGTOO-AWEZNQCLSA-N 0 1 347.915 4.139 20 10 EICDMN C[C@@H](NCc1ccc2c(c1)CCO2)c1nc2ccc(Cl)cc2n1C ZINC000774406321 1051583651 /nfs/dbraw/zinc/58/36/51/1051583651.db2.gz RRBCNCNHUSHGBB-GFCCVEGCSA-N 0 1 341.842 4.012 20 10 EICDMN CC[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000775498465 1051621664 /nfs/dbraw/zinc/62/16/64/1051621664.db2.gz LBCXYTTWKIEWBE-AWEZNQCLSA-N 0 1 342.867 4.001 20 10 EICDMN CCCOc1ccc(C[NH2+][C@H](CC)c2cc(Cl)ccc2[O-])cn1 ZINC000775501183 1051626691 /nfs/dbraw/zinc/62/66/91/1051626691.db2.gz CLFJTIZNNZGHDN-MRXNPFEDSA-N 0 1 334.847 4.470 20 10 EICDMN CC[C@H]([NH2+][C@H](C)CC(C)(C)OC)c1cc(Br)ccc1[O-] ZINC000775508049 1051647186 /nfs/dbraw/zinc/64/71/86/1051647186.db2.gz HFMQNKBJASQITI-RISCZKNCSA-N 0 1 344.293 4.399 20 10 EICDMN CC[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775509660 1051653356 /nfs/dbraw/zinc/65/33/56/1051653356.db2.gz OEOMWOAZSOTJRT-CRAIPNDOSA-N 0 1 333.859 4.253 20 10 EICDMN CC[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1cc(Br)ccc1[O-] ZINC000775512958 1051659788 /nfs/dbraw/zinc/65/97/88/1051659788.db2.gz ULTQWPBXNVNZBU-BLLLJJGKSA-N 0 1 349.272 4.222 20 10 EICDMN CC[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1cc(Cl)ccc1[O-] ZINC000775521905 1051688921 /nfs/dbraw/zinc/68/89/21/1051688921.db2.gz DKWBUFGOSXBBMI-QRTARXTBSA-N 0 1 341.904 4.141 20 10 EICDMN CC[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1cc(Cl)ccc1[O-] ZINC000775525232 1051705664 /nfs/dbraw/zinc/70/56/64/1051705664.db2.gz FFNINYHTAIAKKS-HOCLYGCPSA-N 0 1 341.785 4.098 20 10 EICDMN CC[C@H](N[C@H]1COc2cc(F)cc(F)c21)c1cc(Cl)ccc1O ZINC000775552893 1051831726 /nfs/dbraw/zinc/83/17/26/1051831726.db2.gz YKOYROVEXKJSFX-KBPBESRZSA-N 0 1 339.769 4.498 20 10 EICDMN Cc1[nH]c2c(cccc2NC(=O)c2cc(O)c(O)c(Cl)c2)c1C ZINC001193624424 1051956465 /nfs/dbraw/zinc/95/64/65/1051956465.db2.gz DKUBUVFUWHLXPX-UHFFFAOYSA-N 0 1 330.771 4.102 20 10 EICDMN O=C(Nc1cnc2cc(Cl)ccc2c1)c1cc(O)c(O)c(Cl)c1 ZINC001193606204 1051964891 /nfs/dbraw/zinc/96/48/91/1051964891.db2.gz WGSMWASCSOGMQO-UHFFFAOYSA-N 0 1 349.173 4.205 20 10 EICDMN C[C@H]1C(=O)CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C12CCCC2 ZINC001203584450 1051968969 /nfs/dbraw/zinc/96/89/69/1051968969.db2.gz AUQOLRLXVAOHCW-NSHDSACASA-N 0 1 342.266 4.423 20 10 EICDMN C[C@H]1C(=O)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C12CCCC2 ZINC001203584450 1051968978 /nfs/dbraw/zinc/96/89/78/1051968978.db2.gz AUQOLRLXVAOHCW-NSHDSACASA-N 0 1 342.266 4.423 20 10 EICDMN COc1cccc(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])c1OC ZINC000185076930 1052388874 /nfs/dbraw/zinc/38/88/74/1052388874.db2.gz UHMCMKXFGRKRFF-AWEZNQCLSA-N 0 1 337.419 4.413 20 10 EICDMN C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc2ccccc2c1[O-] ZINC000185095724 1052409757 /nfs/dbraw/zinc/40/97/57/1052409757.db2.gz BLWPWRWBKXZROH-ORAYPTAESA-N 0 1 325.383 4.069 20 10 EICDMN C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000185340679 1052581983 /nfs/dbraw/zinc/58/19/83/1052581983.db2.gz CWYOMBMSPPCDNJ-AWEZNQCLSA-N 0 1 344.455 4.111 20 10 EICDMN C[C@@H]([NH2+]CCCCNc1ccccn1)c1ccc2ccccc2c1[O-] ZINC000185325619 1052582807 /nfs/dbraw/zinc/58/28/07/1052582807.db2.gz PAOHGWWOGZZBIT-MRXNPFEDSA-N 0 1 335.451 4.483 20 10 EICDMN COc1ccc(CNCc2cc(F)ccc2OC(F)F)cc1C ZINC000850113547 1053074556 /nfs/dbraw/zinc/07/45/56/1053074556.db2.gz MAUMFISQBMEFKT-UHFFFAOYSA-N 0 1 325.330 4.034 20 10 EICDMN CCc1cnc(CNCc2cc(OC)cc(C(C)(C)C)c2O)s1 ZINC000850164488 1053080863 /nfs/dbraw/zinc/08/08/63/1053080863.db2.gz ORRWIOOOOFOPOY-UHFFFAOYSA-N 0 1 334.485 4.007 20 10 EICDMN COC[C@H](NCc1cc(OC)cc(C(C)(C)C)c1O)c1ccc(C)o1 ZINC000850170487 1053081657 /nfs/dbraw/zinc/08/16/57/1053081657.db2.gz LIRLXXHVPBULOP-KRWDZBQOSA-N 0 1 347.455 4.077 20 10 EICDMN Cc1cc(Br)cc([C@H](C)N[C@H](C)c2cscn2)c1O ZINC000850511375 1053268273 /nfs/dbraw/zinc/26/82/73/1053268273.db2.gz DCCNUXXVHQHKCL-VHSXEESVSA-N 0 1 341.274 4.331 20 10 EICDMN CC[C@H]([NH2+]C[C@@H](C)c1ccccn1)c1cc(Br)ccc1[O-] ZINC000850482031 1053251554 /nfs/dbraw/zinc/25/15/54/1053251554.db2.gz MDJXAEDGMXIETH-DOMZBBRYSA-N 0 1 349.272 4.394 20 10 EICDMN CSCC1(CC[NH2+][C@@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000850506118 1053266076 /nfs/dbraw/zinc/26/60/76/1053266076.db2.gz FVSTTZGODMKUPO-NSHDSACASA-N 0 1 344.318 4.339 20 10 EICDMN COC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1cccc(OC)c1 ZINC000850512912 1053268793 /nfs/dbraw/zinc/26/87/93/1053268793.db2.gz BWQRGKSAPRDLGF-SJCJKPOMSA-N 0 1 335.831 4.093 20 10 EICDMN CC[C@@H]([NH2+][C@@H](COC)c1cccc(OC)c1)c1cc(Cl)ccc1[O-] ZINC000850515532 1053274444 /nfs/dbraw/zinc/27/44/44/1053274444.db2.gz YBLPFHBPBXYINI-MSOLQXFVSA-N 0 1 349.858 4.483 20 10 EICDMN COC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])c1cccc(OC)c1 ZINC000850515458 1053275162 /nfs/dbraw/zinc/27/51/62/1053275162.db2.gz YALAEJVEUVMHLX-PXAZEXFGSA-N 0 1 335.831 4.093 20 10 EICDMN C[C@H]([NH2+]CCCOC(C)(C)C)c1ccc(Br)cc1[O-] ZINC000850524197 1053286082 /nfs/dbraw/zinc/28/60/82/1053286082.db2.gz AMXQBKHAANJZKN-NSHDSACASA-N 0 1 330.266 4.011 20 10 EICDMN C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1ccc(Br)cc1[O-] ZINC000850551477 1053308051 /nfs/dbraw/zinc/30/80/51/1053308051.db2.gz IQEVMHBYYIJIIK-UFBFGSQYSA-N 0 1 334.204 4.097 20 10 EICDMN CCSC1(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000850552352 1053305612 /nfs/dbraw/zinc/30/56/12/1053305612.db2.gz MNOIGPICSYVQAG-JTQLQIEISA-N 0 1 330.291 4.091 20 10 EICDMN C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1cc(Br)ccc1[O-] ZINC000850553596 1053306015 /nfs/dbraw/zinc/30/60/15/1053306015.db2.gz ZHGWHWXGTSIVAM-UFBFGSQYSA-N 0 1 334.204 4.097 20 10 EICDMN COc1ccc(CN(C)Cc2cc(Cl)cc(C)c2O)c(OC)c1 ZINC000775643119 1053306493 /nfs/dbraw/zinc/30/64/93/1053306493.db2.gz TXLPSSFYSXZPJN-UHFFFAOYSA-N 0 1 335.831 4.003 20 10 EICDMN C[N@@H+](Cc1ccccc1N1CCCC1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775646910 1053344559 /nfs/dbraw/zinc/34/45/59/1053344559.db2.gz LUOAGVOBYNAZTQ-UHFFFAOYSA-N 0 1 348.849 4.417 20 10 EICDMN C[C@@H](C(=O)Nc1cccc2ccccc21)N(C)Cc1ccccc1O ZINC000109772587 1053422913 /nfs/dbraw/zinc/42/29/13/1053422913.db2.gz PZMGMKFXGXFCDI-HNNXBMFYSA-N 0 1 334.419 4.004 20 10 EICDMN Oc1c(Cl)cccc1CN1CCO[C@@H](c2ccccc2Cl)C1 ZINC000775675775 1053535169 /nfs/dbraw/zinc/53/51/69/1053535169.db2.gz BWXVAZWYMFFDJV-MRXNPFEDSA-N 0 1 338.234 4.273 20 10 EICDMN CCOCc1cc(CN[C@@H](C)c2cc3cnccc3o2)ccc1OC ZINC000865853049 1053610277 /nfs/dbraw/zinc/61/02/77/1053610277.db2.gz FIOKCBQOLLSVEG-AWEZNQCLSA-N 0 1 340.423 4.224 20 10 EICDMN COc1ccccc1[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775715316 1053663758 /nfs/dbraw/zinc/66/37/58/1053663758.db2.gz WUSRBDRMLPFGSH-GFCCVEGCSA-N 0 1 335.806 4.183 20 10 EICDMN C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@H](c2ccsc2)O1 ZINC000775725725 1053697336 /nfs/dbraw/zinc/69/73/36/1053697336.db2.gz MSIADXWECRYDAZ-MEBBXXQBSA-N 0 1 341.835 4.208 20 10 EICDMN C[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)c1ccc2ccccc2c1[O-] ZINC000866512010 1053760996 /nfs/dbraw/zinc/76/09/96/1053760996.db2.gz HHXBZNZGEORENN-NQYLQCIDSA-N 0 1 325.452 4.401 20 10 EICDMN C[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1ccc(Br)cc1[O-] ZINC000854226850 1053782964 /nfs/dbraw/zinc/78/29/64/1053782964.db2.gz ROJMRPVLXNTDSK-HWPZZCPQSA-N 0 1 347.256 4.075 20 10 EICDMN CC(C)Oc1ncc(Cl)cc1NCc1ccc(F)c(F)c1O ZINC001205789796 1053785792 /nfs/dbraw/zinc/78/57/92/1053785792.db2.gz USJSERLSIYLSBW-UHFFFAOYSA-N 0 1 328.746 4.118 20 10 EICDMN CSc1ccc(C)c(NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000775762772 1053850705 /nfs/dbraw/zinc/85/07/05/1053850705.db2.gz ULDGBHSFIFGVIJ-UHFFFAOYSA-N 0 1 341.524 4.081 20 10 EICDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](Cc2ccccc2)C(C)C)c1[O-] ZINC001197769468 1053992345 /nfs/dbraw/zinc/99/23/45/1053992345.db2.gz NDQVQTWFHJHIEY-IBGZPJMESA-N 0 1 329.415 4.091 20 10 EICDMN C[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc2ccccc2c1[O-] ZINC000186165728 1054063165 /nfs/dbraw/zinc/06/31/65/1054063165.db2.gz VDRDBANWQXVJMQ-IVZQSRNASA-N 0 1 333.431 4.030 20 10 EICDMN CCOc1ccc(C(C)=O)cc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775834221 1054120197 /nfs/dbraw/zinc/12/01/97/1054120197.db2.gz LXFPXGYRZBGEPG-OAHLLOKOSA-N 0 1 340.467 4.205 20 10 EICDMN CCC(CC)[C@H](CNCc1cc(Cl)cc(F)c1[O-])[NH+]1CCCC1 ZINC001199143489 1054351203 /nfs/dbraw/zinc/35/12/03/1054351203.db2.gz HCYYGINLZABJTA-KRWDZBQOSA-N 0 1 342.886 4.175 20 10 EICDMN C[C@@H](CCCC(F)(F)F)[NH2+]Cc1c([O-])cccc1Br ZINC000858160256 1054427642 /nfs/dbraw/zinc/42/76/42/1054427642.db2.gz GGBICTAKPLZZRX-VIFPVBQESA-N 0 1 340.183 4.365 20 10 EICDMN CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1c([O-])cccc1Br ZINC000858158675 1054427748 /nfs/dbraw/zinc/42/77/48/1054427748.db2.gz OIPXGJBVYNVAPE-LLVKDONJSA-N 0 1 340.183 4.221 20 10 EICDMN C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000776014468 1054439491 /nfs/dbraw/zinc/43/94/91/1054439491.db2.gz RWTWACPWQSLWBF-KWQFWETISA-N 0 1 325.733 4.348 20 10 EICDMN Cc1cc(N(C)C)ccc1CN[C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000858366187 1054475261 /nfs/dbraw/zinc/47/52/61/1054475261.db2.gz XZCYWVMTTPHYDE-QGZVFWFLSA-N 0 1 348.494 4.312 20 10 EICDMN CN(C)c1ccc(CN[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1F ZINC001199812087 1054475606 /nfs/dbraw/zinc/47/56/06/1054475606.db2.gz HGEDUSOKVUFNLA-PMACEKPBSA-N 0 1 346.421 4.041 20 10 EICDMN COc1cc(O)c(CNCc2c(Cl)cccc2Cl)cc1OC ZINC000776109400 1054548230 /nfs/dbraw/zinc/54/82/30/1054548230.db2.gz YJXQHCLOSKAXIS-UHFFFAOYSA-N 0 1 342.222 4.006 20 10 EICDMN COc1ccccc1OC[C@H](C)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC001201529496 1054845923 /nfs/dbraw/zinc/84/59/23/1054845923.db2.gz PPSPKKFPZYZISV-CQSZACIVSA-N 0 1 349.858 4.167 20 10 EICDMN CCN(CC)c1ccc(CN(C)Cc2cc3c(cc[nH]c3=O)o2)cc1 ZINC000876550858 1054930214 /nfs/dbraw/zinc/93/02/14/1054930214.db2.gz DLTXWVOXUPAUJT-UHFFFAOYSA-N 0 1 339.439 4.012 20 10 EICDMN Oc1c(CNc2ccc(OCC3CCOCC3)cc2)ccc(F)c1F ZINC000876827652 1054965524 /nfs/dbraw/zinc/96/55/24/1054965524.db2.gz VJDZRVSCASBCSO-UHFFFAOYSA-N 0 1 349.377 4.088 20 10 EICDMN Cc1c(CN(C)Cc2ccc(N3CCCCC3)cc2)ccnc1F ZINC000862210161 1055029228 /nfs/dbraw/zinc/02/92/28/1055029228.db2.gz BJQSSPMIFLJLKA-UHFFFAOYSA-N 0 1 327.447 4.151 20 10 EICDMN C[C@H](NCc1ccccc1O)c1ccc(C(F)(F)F)nc1Cl ZINC000862379304 1055060639 /nfs/dbraw/zinc/06/06/39/1055060639.db2.gz JKWSQWKMFNIQCA-VIFPVBQESA-N 0 1 330.737 4.310 20 10 EICDMN Oc1cc(F)c(Cl)cc1CN[C@@H](c1nccs1)C(F)(F)F ZINC000862431422 1055064044 /nfs/dbraw/zinc/06/40/44/1055064044.db2.gz JACYPDKLVOAFKF-JTQLQIEISA-N 0 1 340.729 4.034 20 10 EICDMN Oc1c(F)cc(Cl)cc1CN[C@@H](c1nccs1)C(F)(F)F ZINC000862432075 1055067183 /nfs/dbraw/zinc/06/71/83/1055067183.db2.gz QPTMRBJICBAXJH-JTQLQIEISA-N 0 1 340.729 4.034 20 10 EICDMN Oc1ccc(Cl)c(F)c1CN[C@H](c1nccs1)C(F)(F)F ZINC000862432066 1055067323 /nfs/dbraw/zinc/06/73/23/1055067323.db2.gz QFELEJVMPVPZTA-SNVBAGLBSA-N 0 1 340.729 4.034 20 10 EICDMN Cc1cc([O-])c(C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)cc1Cl ZINC000825987121 1055098946 /nfs/dbraw/zinc/09/89/46/1055098946.db2.gz SRPLGLNTUPPXLW-GTNSWQLSSA-N 0 1 337.872 4.208 20 10 EICDMN C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1Cl)c1cc(Cl)ccc1[O-] ZINC000765808751 1055447579 /nfs/dbraw/zinc/44/75/79/1055447579.db2.gz JUFPPLCKLOVTST-DIFFPNOSSA-N 0 1 340.250 4.257 20 10 EICDMN C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1Cl)c1cc(Cl)ccc1[O-] ZINC000765808755 1055447992 /nfs/dbraw/zinc/44/79/92/1055447992.db2.gz JUFPPLCKLOVTST-PIGZYNQJSA-N 0 1 340.250 4.257 20 10 EICDMN Cc1ccccc1[C@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)[C@H](C)CO1 ZINC000742167990 1058530561 /nfs/dbraw/zinc/53/05/61/1058530561.db2.gz JBGAQWJYQCMHNI-OPAMFIHVSA-N 0 1 348.446 4.211 20 10 EICDMN Cc1ccccc1[C@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)[C@H](C)CO1 ZINC000742167990 1058530572 /nfs/dbraw/zinc/53/05/72/1058530572.db2.gz JBGAQWJYQCMHNI-OPAMFIHVSA-N 0 1 348.446 4.211 20 10 EICDMN CO[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])c1ccc(Cl)cc1 ZINC000742377459 1058603182 /nfs/dbraw/zinc/60/31/82/1058603182.db2.gz MFJXZEATQGIOKU-INIZCTEOSA-N 0 1 326.223 4.176 20 10 EICDMN CC[N@H+](CCc1cccs1)Cc1cc(Br)ccc1[O-] ZINC000743870897 1059187130 /nfs/dbraw/zinc/18/71/30/1059187130.db2.gz GKAXPWDSHWOTAW-UHFFFAOYSA-N 0 1 340.286 4.281 20 10 EICDMN CC[N@@H+](CCc1cccs1)Cc1cc(Br)ccc1[O-] ZINC000743870897 1059187144 /nfs/dbraw/zinc/18/71/44/1059187144.db2.gz GKAXPWDSHWOTAW-UHFFFAOYSA-N 0 1 340.286 4.281 20 10 EICDMN CN(C)c1cccc(CN(Cc2ccco2)Cc2ccccc2O)c1 ZINC000744397822 1059444759 /nfs/dbraw/zinc/44/47/59/1059444759.db2.gz FGTCGUVXBCWYQN-UHFFFAOYSA-N 0 1 336.435 4.254 20 10 EICDMN COc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000691427710 1060944040 /nfs/dbraw/zinc/94/40/40/1060944040.db2.gz FURBGMCSAZZGHO-LLVKDONJSA-N 0 1 336.229 4.014 20 10 EICDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccc(Br)s1 ZINC000038018510 213190415 /nfs/dbraw/zinc/19/04/15/213190415.db2.gz CTEFYRUYHOFLFC-UHFFFAOYSA-N 0 1 332.650 4.159 20 10 EICDMN C[C@H]([NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)c1ccc(Cl)cc1[O-] ZINC000841752511 1032336318 /nfs/dbraw/zinc/33/63/18/1032336318.db2.gz PGMJNQNFOXPNMM-FVMDXXJSSA-N 0 1 344.213 4.222 20 10 EICDMN C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000310651664 1021415636 /nfs/dbraw/zinc/41/56/36/1021415636.db2.gz VLJWTRISPUJYPV-KBPBESRZSA-N 0 1 344.455 4.109 20 10 EICDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000728286332 1021728053 /nfs/dbraw/zinc/72/80/53/1021728053.db2.gz SZKFPLAQKIGITQ-GOSISDBHSA-N 0 1 348.402 4.006 20 10 EICDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000728286332 1021728073 /nfs/dbraw/zinc/72/80/73/1021728073.db2.gz SZKFPLAQKIGITQ-GOSISDBHSA-N 0 1 348.402 4.006 20 10 EICDMN Cc1ccc([C@@H](C)NCc2ccsc2Br)c(O)c1 ZINC000282436809 1021973244 /nfs/dbraw/zinc/97/32/44/1021973244.db2.gz MRJCDLOFXNXYNL-SNVBAGLBSA-N 0 1 326.259 4.375 20 10 EICDMN CC(=O)c1cc(F)cc(CN2CCC(c3ccccc3F)CC2)c1O ZINC001167443616 1022809033 /nfs/dbraw/zinc/80/90/33/1022809033.db2.gz YEHPVICISXRFNG-UHFFFAOYSA-N 0 1 345.389 4.253 20 10 EICDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000706843192 1022919923 /nfs/dbraw/zinc/91/99/23/1022919923.db2.gz NMLFCDOQDXMVPT-MRXNPFEDSA-N 0 1 332.241 4.322 20 10 EICDMN O=C1CCc2cc(NCc3cc(Cl)cc(Cl)c3O)ccc2N1 ZINC000122584899 1023612842 /nfs/dbraw/zinc/61/28/42/1023612842.db2.gz SYDYKEUFBZNFGM-UHFFFAOYSA-N 0 1 337.206 4.196 20 10 EICDMN Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000756573001 1023625346 /nfs/dbraw/zinc/62/53/46/1023625346.db2.gz KUDMFVGXTTWIQI-DTWKUNHWSA-N 0 1 339.233 4.171 20 10 EICDMN Cc1cnc(CC[N@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])s1 ZINC000093807256 1024882956 /nfs/dbraw/zinc/88/29/56/1024882956.db2.gz JJYIVRJJNRRRIK-UHFFFAOYSA-N 0 1 331.268 4.138 20 10 EICDMN COC1CCN(c2ccc(CN(Cc3ccoc3)C3CC3)cc2)CC1 ZINC000934003137 1024939578 /nfs/dbraw/zinc/93/95/78/1024939578.db2.gz CTCXHHKBGQZENO-UHFFFAOYSA-N 0 1 340.467 4.059 20 10 EICDMN C[C@@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)c1ccc2ccccc2c1[O-] ZINC000326882883 1026463768 /nfs/dbraw/zinc/46/37/68/1026463768.db2.gz CPEJIHUVFFPOQP-IERDGZPVSA-N 0 1 334.463 4.499 20 10 EICDMN Cc1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])nc1C ZINC000840785449 1029281338 /nfs/dbraw/zinc/28/13/38/1029281338.db2.gz ZEVGLGGNXOCSFE-GFCCVEGCSA-N 0 1 335.245 4.017 20 10 EICDMN CCOc1cccc(CNC(C)(C)c2nc3ccccc3s2)c1O ZINC000527746404 1030839762 /nfs/dbraw/zinc/83/97/62/1030839762.db2.gz WWISSHAJZDVVCB-UHFFFAOYSA-N 0 1 342.464 4.426 20 10 EICDMN C[C@@H](N[C@@H](C)c1ncccc1F)c1cc(Br)ccc1O ZINC000528036282 1031050690 /nfs/dbraw/zinc/05/06/90/1031050690.db2.gz QUXBDXOQFZOUNJ-ZJUUUORDSA-N 0 1 339.208 4.101 20 10 EICDMN CCSCCC[NH2+][C@H](CC)c1cc(Br)ccc1[O-] ZINC000310612398 1031600837 /nfs/dbraw/zinc/60/08/37/1031600837.db2.gz DPLFPKMQGQVYJC-CYBMUJFWSA-N 0 1 332.307 4.339 20 10 EICDMN COc1cccc(CN(C)[C@H](c2ccccc2)c2ccccn2)c1O ZINC000130960887 1031853872 /nfs/dbraw/zinc/85/38/72/1031853872.db2.gz XMHJWDAYMAHDDR-HXUWFJFHSA-N 0 1 334.419 4.017 20 10 EICDMN CN(C)c1ccc(CNCc2ccc(Cl)cn2)c(C(F)(F)F)c1 ZINC000280186790 1035199405 /nfs/dbraw/zinc/19/94/05/1035199405.db2.gz GWUZXIWGLFRKGI-UHFFFAOYSA-N 0 1 343.780 4.110 20 10 EICDMN CCc1ccc([C@H](C)NCc2ccc(N3CCSCC3)cc2)o1 ZINC000163639949 1035644303 /nfs/dbraw/zinc/64/43/03/1035644303.db2.gz YBLVLGLAQJFOCJ-HNNXBMFYSA-N 0 1 330.497 4.246 20 10 EICDMN CC[C@H]([NH2+]CC(C)(C)SC)c1cc(Br)ccc1[O-] ZINC000169214968 1035843804 /nfs/dbraw/zinc/84/38/04/1035843804.db2.gz BTSVUMJVYMHKFP-LBPRGKRZSA-N 0 1 332.307 4.337 20 10 EICDMN COc1cc(Cl)cc(C[N@H+]2CCSC[C@@H]2c2ccccc2)c1O ZINC000761191115 1035998949 /nfs/dbraw/zinc/99/89/49/1035998949.db2.gz NOSJQQFYWLSIKM-MRXNPFEDSA-N 0 1 349.883 4.344 20 10 EICDMN COc1cc(Cl)cc(CN2CCSC[C@@H]2c2ccccc2)c1O ZINC000761191115 1035999003 /nfs/dbraw/zinc/99/90/03/1035999003.db2.gz NOSJQQFYWLSIKM-MRXNPFEDSA-N 0 1 349.883 4.344 20 10 EICDMN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1O ZINC000761198746 1036013003 /nfs/dbraw/zinc/01/30/03/1036013003.db2.gz LPXDBGHWWONENU-CYBMUJFWSA-N 0 1 335.806 4.183 20 10 EICDMN CC[N@@H+](Cc1ccccn1)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000164472320 1036165134 /nfs/dbraw/zinc/16/51/34/1036165134.db2.gz PYUTWCVZLRFMCH-UHFFFAOYSA-N 0 1 328.456 4.115 20 10 EICDMN CC[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1cc(Br)ccc1[O-] ZINC000229574189 1037257248 /nfs/dbraw/zinc/25/72/48/1037257248.db2.gz RBSUVLHTIODBQV-DZGCQCFKSA-N 0 1 342.277 4.155 20 10 EICDMN CC[C@H]([NH2+]C[C@H](C)CC(F)F)c1cc(Br)ccc1[O-] ZINC000697702759 1040230676 /nfs/dbraw/zinc/23/06/76/1040230676.db2.gz WVFJORJHRCAHQR-SKDRFNHKSA-N 0 1 336.220 4.487 20 10 EICDMN CC[C@H]([NH2+][C@@H](C)C1CCOCC1)c1cc(Br)ccc1[O-] ZINC000156371344 1041443745 /nfs/dbraw/zinc/44/37/45/1041443745.db2.gz LTUBXXBIEQZKBV-NHYWBVRUSA-N 0 1 342.277 4.011 20 10 EICDMN Oc1ccc2ccccc2c1CN1CCO[C@@H](c2ccccc2F)C1 ZINC000727423370 1043218728 /nfs/dbraw/zinc/21/87/28/1043218728.db2.gz FZRYQBHESOKSOP-OAQYLSRUSA-N 0 1 337.394 4.258 20 10 EICDMN CCN(CC)c1ccc(CNC2(c3nc(C)cs3)CCC2)cc1 ZINC000727644571 1043255354 /nfs/dbraw/zinc/25/53/54/1043255354.db2.gz ONINYNCMGASTAP-UHFFFAOYSA-N 0 1 329.513 4.467 20 10 EICDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000715752206 1043637612 /nfs/dbraw/zinc/63/76/12/1043637612.db2.gz GQQSHQKUSUMECC-NEPJUHHUSA-N 0 1 342.252 4.306 20 10 EICDMN CC[C@@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C[C@H](C)O1 ZINC000732186114 1043883149 /nfs/dbraw/zinc/88/31/49/1043883149.db2.gz XUOGHSOECXXCHW-DZGCQCFKSA-N 0 1 325.408 4.291 20 10 EICDMN CC[C@@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C[C@H](C)O1 ZINC000732186114 1043883154 /nfs/dbraw/zinc/88/31/54/1043883154.db2.gz XUOGHSOECXXCHW-DZGCQCFKSA-N 0 1 325.408 4.291 20 10 EICDMN Cc1ccc(Br)c(NCc2ccc(F)c(F)c2O)c1 ZINC000703346934 1044129412 /nfs/dbraw/zinc/12/94/12/1044129412.db2.gz GCVLHRZAMSSHAL-UHFFFAOYSA-N 0 1 328.156 4.353 20 10 EICDMN CCOc1c(Cl)cccc1CNCc1ccc(N(C)C)cc1C ZINC000785467928 1044147193 /nfs/dbraw/zinc/14/71/93/1044147193.db2.gz BVPRYKFALYSUGF-UHFFFAOYSA-N 0 1 332.875 4.403 20 10 EICDMN CN(C)[C@H](C[NH2+]Cc1c([O-])cccc1Cl)c1ccccc1Cl ZINC000733323369 1044188256 /nfs/dbraw/zinc/18/82/56/1044188256.db2.gz WPQWDDNHULOEPC-MRXNPFEDSA-N 0 1 339.266 4.092 20 10 EICDMN CCc1cc(CN[C@H](C)c2ccc(N3CCCCCC3)cc2)on1 ZINC000766135570 1044320533 /nfs/dbraw/zinc/32/05/33/1044320533.db2.gz LSMJWXSZAKIWLC-MRXNPFEDSA-N 0 1 327.472 4.468 20 10 EICDMN CC(C)(C)c1ccc([C@@H](O)C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000734848388 1044699233 /nfs/dbraw/zinc/69/92/33/1044699233.db2.gz GCAKPCGBONSCMQ-SFHVURJKSA-N 0 1 333.859 4.166 20 10 EICDMN O=[N+]([O-])c1cc(CNCc2cccc(F)c2)ccc1N1CCCCC1 ZINC000914797463 1044790474 /nfs/dbraw/zinc/79/04/74/1044790474.db2.gz ZTNYMAFZIZGVRF-UHFFFAOYSA-N 0 1 343.402 4.014 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000735677173 1044853541 /nfs/dbraw/zinc/85/35/41/1044853541.db2.gz NEPXMBOQSXXWGG-OAHLLOKOSA-N 0 1 346.641 4.176 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000740900507 1045241176 /nfs/dbraw/zinc/24/11/76/1045241176.db2.gz SBJYTSPFZASMNL-AWEZNQCLSA-N 0 1 346.641 4.176 20 10 EICDMN CCN(Cc1ccccc1)c1ccc(CNCc2cc(C)nn2C)cc1 ZINC000790601803 1045543330 /nfs/dbraw/zinc/54/33/30/1045543330.db2.gz OVQGSLUDXWXDPC-UHFFFAOYSA-N 0 1 348.494 4.045 20 10 EICDMN Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000742373884 1045655340 /nfs/dbraw/zinc/65/53/40/1045655340.db2.gz TWJBAMAHHZRTPR-UHFFFAOYSA-N 0 1 335.451 4.134 20 10 EICDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@H]2c2cccs2)c1[O-] ZINC000768196605 1045752328 /nfs/dbraw/zinc/75/23/28/1045752328.db2.gz SBBKFBQSOQWRMC-LBPRGKRZSA-N 0 1 338.816 4.352 20 10 EICDMN COc1ccc([C@@H]2CCC[N@@H+]2Cc2c([O-])cccc2Cl)cc1OC ZINC000768227755 1045756113 /nfs/dbraw/zinc/75/61/13/1045756113.db2.gz HXACNCDYSCTNJZ-INIZCTEOSA-N 0 1 347.842 4.400 20 10 EICDMN COc1ccc([C@@H]2CCC[N@H+]2Cc2c([O-])cccc2Cl)cc1OC ZINC000768227755 1045756128 /nfs/dbraw/zinc/75/61/28/1045756128.db2.gz HXACNCDYSCTNJZ-INIZCTEOSA-N 0 1 347.842 4.400 20 10 EICDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2c2ccsc2)c1[O-] ZINC000768330190 1045789041 /nfs/dbraw/zinc/78/90/41/1045789041.db2.gz PLWOKDVYCATRJB-CYBMUJFWSA-N 0 1 338.816 4.352 20 10 EICDMN Cc1ccccc1[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000792165869 1045870683 /nfs/dbraw/zinc/87/06/83/1045870683.db2.gz LVTLBUQIDUQFDQ-QGZVFWFLSA-N 0 1 335.806 4.067 20 10 EICDMN Cc1nc([C@H]2CCCN2Cc2c(O)ccc(Cl)c2F)cs1 ZINC000792174800 1045873302 /nfs/dbraw/zinc/87/33/02/1045873302.db2.gz KUETZVFUNSNLPB-CYBMUJFWSA-N 0 1 326.824 4.287 20 10 EICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000769228866 1045897335 /nfs/dbraw/zinc/89/73/35/1045897335.db2.gz AHZOZRPWJQCAIG-HNNXBMFYSA-N 0 1 337.250 4.385 20 10 EICDMN CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cc(Br)ccc2[O-])C1 ZINC000769550414 1046019968 /nfs/dbraw/zinc/01/99/68/1046019968.db2.gz RWFSFEUWNFVOTN-UONOGXRCSA-N 0 1 344.318 4.261 20 10 EICDMN CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cc(Br)ccc2[O-])C1 ZINC000769550414 1046019947 /nfs/dbraw/zinc/01/99/47/1046019947.db2.gz RWFSFEUWNFVOTN-UONOGXRCSA-N 0 1 344.318 4.261 20 10 EICDMN COC[C@H](NCc1cc(-c2ccccc2)ccc1O)c1ccc(C)o1 ZINC000747099488 1046127885 /nfs/dbraw/zinc/12/78/85/1046127885.db2.gz DALJNUDSZSMDLX-IBGZPJMESA-N 0 1 337.419 4.438 20 10 EICDMN CCc1cccc(CNCc2cc(F)ccc2Br)c1O ZINC000691481839 1046188339 /nfs/dbraw/zinc/18/83/39/1046188339.db2.gz HVWJVNKCPFADIF-UHFFFAOYSA-N 0 1 338.220 4.146 20 10 EICDMN COc1cc(Cl)cc(CN2CCC(CC(F)(F)F)CC2)c1O ZINC000793620326 1046314228 /nfs/dbraw/zinc/31/42/28/1046314228.db2.gz OCNJWUAPGQATQU-UHFFFAOYSA-N 0 1 337.769 4.219 20 10 EICDMN CC(C)N(Cc1cc(-c2ccco2)on1)Cc1ccc(N(C)C)cc1 ZINC000917075010 1046637541 /nfs/dbraw/zinc/63/75/41/1046637541.db2.gz OHHRQPAUWRNFRX-UHFFFAOYSA-N 0 1 339.439 4.411 20 10 EICDMN C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccccc1 ZINC000804861693 1046822297 /nfs/dbraw/zinc/82/22/97/1046822297.db2.gz ADLFSCGBVLWRTI-JTQLQIEISA-N 0 1 339.222 4.259 20 10 EICDMN Cc1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000804857304 1046825618 /nfs/dbraw/zinc/82/56/18/1046825618.db2.gz JPYUEJJGICAVKO-UHFFFAOYSA-N 0 1 339.222 4.007 20 10 EICDMN CC[C@H]([NH2+]CC[C@H](OC)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000786953941 1046884381 /nfs/dbraw/zinc/88/43/81/1046884381.db2.gz PGCYSIHNRJWQKK-AAEUAGOBSA-N 0 1 325.758 4.054 20 10 EICDMN C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccsc1 ZINC000805458767 1046896929 /nfs/dbraw/zinc/89/69/29/1046896929.db2.gz LQYZPZFLGVMANI-QMMMGPOBSA-N 0 1 345.251 4.321 20 10 EICDMN COc1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000806089939 1047115726 /nfs/dbraw/zinc/11/57/26/1047115726.db2.gz IHJFSRBKLDZNOB-UHFFFAOYSA-N 0 1 341.194 4.029 20 10 EICDMN COCC(C)(C)CCC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000806176296 1047179160 /nfs/dbraw/zinc/17/91/60/1047179160.db2.gz NPGCIFZFXHKKIH-GFCCVEGCSA-N 0 1 344.293 4.258 20 10 EICDMN CCc1cnc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)s1 ZINC000806310681 1047228335 /nfs/dbraw/zinc/22/83/35/1047228335.db2.gz HHKVXDXKDJKEOQ-UHFFFAOYSA-N 0 1 346.239 4.040 20 10 EICDMN C[C@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000788621394 1047251978 /nfs/dbraw/zinc/25/19/78/1047251978.db2.gz XLLUDUPPMWIFSN-HOTGVXAUSA-N 0 1 328.431 4.099 20 10 EICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cc(Cl)ccn1 ZINC000806531823 1047289392 /nfs/dbraw/zinc/28/93/92/1047289392.db2.gz AKSTWUMWXWHWPL-UHFFFAOYSA-N 0 1 346.601 4.069 20 10 EICDMN [O-]c1ccc2oc3c(c2c1C[N@@H+]1CC[C@@]2(C1)CCCOC2)CCCC3 ZINC000789564502 1047441763 /nfs/dbraw/zinc/44/17/63/1047441763.db2.gz HAZUQBSNBSIASG-OAQYLSRUSA-N 0 1 341.451 4.020 20 10 EICDMN [O-]c1ccc2oc3c(c2c1C[N@H+]1CC[C@@]2(C1)CCCOC2)CCCC3 ZINC000789564502 1047441770 /nfs/dbraw/zinc/44/17/70/1047441770.db2.gz HAZUQBSNBSIASG-OAQYLSRUSA-N 0 1 341.451 4.020 20 10 EICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc2cc[nH]c2c1 ZINC000807835680 1047518579 /nfs/dbraw/zinc/51/85/79/1047518579.db2.gz ZKVLTQHUKVMYLR-UHFFFAOYSA-N 0 1 335.190 4.110 20 10 EICDMN O=C(C=C(C1CC1)C1CC1)NCc1cc(Cl)cc(Cl)c1O ZINC000807836493 1047519555 /nfs/dbraw/zinc/51/95/55/1047519555.db2.gz YLGXGQVSMGWGKV-UHFFFAOYSA-N 0 1 326.223 4.062 20 10 EICDMN CC(C)n1cccc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836779 1047519783 /nfs/dbraw/zinc/51/97/83/1047519783.db2.gz ONZKHWDNXHAWKM-UHFFFAOYSA-N 0 1 327.211 4.011 20 10 EICDMN CSc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000807833729 1047520270 /nfs/dbraw/zinc/52/02/70/1047520270.db2.gz DURNHGXMHVNHOC-UHFFFAOYSA-N 0 1 342.247 4.351 20 10 EICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCC(F)(F)C1 ZINC000807835601 1047520486 /nfs/dbraw/zinc/52/04/86/1047520486.db2.gz JEBYVGNQPNAOHE-QMMMGPOBSA-N 0 1 338.181 4.141 20 10 EICDMN C[C@H](Cc1ccccc1)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837689 1047522770 /nfs/dbraw/zinc/52/27/70/1047522770.db2.gz ADMHTYCQRUASIF-LLVKDONJSA-N 0 1 338.234 4.194 20 10 EICDMN Cc1noc(C(C)C)c1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837443 1047524556 /nfs/dbraw/zinc/52/45/56/1047524556.db2.gz QDNSSKVVFQQNPT-UHFFFAOYSA-N 0 1 343.210 4.049 20 10 EICDMN O=C(CCCc1ccsc1)NCc1cc(Cl)cc(Cl)c1O ZINC000807838609 1047524599 /nfs/dbraw/zinc/52/45/99/1047524599.db2.gz ZCCAHLLBEIMHMH-UHFFFAOYSA-N 0 1 344.263 4.400 20 10 EICDMN Oc1c(Cl)cc(Cl)cc1CNc1nc(C(F)(F)F)ns1 ZINC000808086355 1047604304 /nfs/dbraw/zinc/60/43/04/1047604304.db2.gz BGXGCBZHNOIBDY-UHFFFAOYSA-N 0 1 344.145 4.181 20 10 EICDMN Cc1cc2nccn2cc1NCc1cc(Cl)c2cccnc2c1O ZINC001168524352 1047743858 /nfs/dbraw/zinc/74/38/58/1047743858.db2.gz ZYFDPQXNSMHDRX-UHFFFAOYSA-N 0 1 338.798 4.162 20 10 EICDMN CC[C@H](NCc1nc(C)c(Br)s1)c1ccccc1O ZINC000824591452 1047890877 /nfs/dbraw/zinc/89/08/77/1047890877.db2.gz VLMBEKHMZFWQEF-NSHDSACASA-N 0 1 341.274 4.161 20 10 EICDMN COC[C@@H](NCc1ccc(N2CCCC2)cc1)c1cccc(Cl)c1 ZINC000808453981 1047921233 /nfs/dbraw/zinc/92/12/33/1047921233.db2.gz DAGIQRYEBCROFB-HXUWFJFHSA-N 0 1 344.886 4.418 20 10 EICDMN C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824775844 1047933227 /nfs/dbraw/zinc/93/32/27/1047933227.db2.gz CCWRWQYIMXMCJS-NSHDSACASA-N 0 1 336.229 4.053 20 10 EICDMN C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824775844 1047933233 /nfs/dbraw/zinc/93/32/33/1047933233.db2.gz CCWRWQYIMXMCJS-NSHDSACASA-N 0 1 336.229 4.053 20 10 EICDMN Cc1ccc2nc(CN[C@@H](C)c3cc(Cl)cc(C)c3O)cn2c1 ZINC000808690899 1048038252 /nfs/dbraw/zinc/03/82/52/1048038252.db2.gz GSNHCQIXXFOOQX-ZDUSSCGKSA-N 0 1 329.831 4.161 20 10 EICDMN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1[O-] ZINC000808712040 1048059679 /nfs/dbraw/zinc/05/96/79/1048059679.db2.gz ZUUZGHUYKWKCSE-GGBBIFEXSA-N 0 1 335.875 4.352 20 10 EICDMN Cc1cc([O-])c(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000825326075 1048072382 /nfs/dbraw/zinc/07/23/82/1048072382.db2.gz MSUBEWHWWIEKHV-GFCCVEGCSA-N 0 1 334.803 4.421 20 10 EICDMN Cc1cc(Cl)cc([C@H](C)NCc2cn3c(cccc3C)n2)c1O ZINC000808695511 1048076728 /nfs/dbraw/zinc/07/67/28/1048076728.db2.gz NWKLNQZQWRLHSB-ZDUSSCGKSA-N 0 1 329.831 4.161 20 10 EICDMN Cc1cc([O-])c(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)cc1Cl ZINC000825406747 1048090377 /nfs/dbraw/zinc/09/03/77/1048090377.db2.gz YHMDBPQGXBHKHU-DNVCBOLYSA-N 0 1 331.843 4.221 20 10 EICDMN CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000919954920 1048339019 /nfs/dbraw/zinc/33/90/19/1048339019.db2.gz UIKKIXYFCPGUIF-KRWDZBQOSA-N 0 1 326.440 4.127 20 10 EICDMN Cc1ccccc1C(C)(C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000815151807 1048349104 /nfs/dbraw/zinc/34/91/04/1048349104.db2.gz UQEVGTLFWWEACX-UHFFFAOYSA-N 0 1 334.257 4.488 20 10 EICDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000815153859 1048352435 /nfs/dbraw/zinc/35/24/35/1048352435.db2.gz ZTPVQLWADCILFS-UHFFFAOYSA-N 0 1 331.721 4.076 20 10 EICDMN Cc1cccc(CNCc2cc(F)c(F)cc2Br)c1O ZINC000809709681 1048491347 /nfs/dbraw/zinc/49/13/47/1048491347.db2.gz GLALKZPEILZSGL-UHFFFAOYSA-N 0 1 342.183 4.031 20 10 EICDMN Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809768381 1048501897 /nfs/dbraw/zinc/50/18/97/1048501897.db2.gz JDHZLBMBSSANBD-CQSZACIVSA-N 0 1 340.254 4.376 20 10 EICDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+](Cc1ccc(O)cc1)CC1CC1 ZINC000809738166 1048510196 /nfs/dbraw/zinc/51/01/96/1048510196.db2.gz SDHJBNINJPEZRV-UHFFFAOYSA-N 0 1 335.806 4.303 20 10 EICDMN CC[N@@H+](Cc1cccc(Br)c1[O-])[C@@H](C)c1cccnc1 ZINC000809764739 1048523671 /nfs/dbraw/zinc/52/36/71/1048523671.db2.gz HLWLVTOQANOJMO-LBPRGKRZSA-N 0 1 335.245 4.133 20 10 EICDMN C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815589943 1048526995 /nfs/dbraw/zinc/52/69/95/1048526995.db2.gz HSXXYHIDCYYQPD-LBPRGKRZSA-N 0 1 344.421 4.325 20 10 EICDMN Cc1cc(Br)c([O-])c(C[N@H+](C)C2CCC(F)(F)CC2)c1 ZINC000809782138 1048529944 /nfs/dbraw/zinc/52/99/44/1048529944.db2.gz IWHPTNOGQKEZEQ-UHFFFAOYSA-N 0 1 348.231 4.473 20 10 EICDMN CC(C)(C)c1cc(C[N@H+](CC(=O)[O-])CC2CC2)c(O)c(C(C)(C)C)c1 ZINC000844934369 1048552858 /nfs/dbraw/zinc/55/28/58/1048552858.db2.gz DALUQLMYPZNKBB-UHFFFAOYSA-N 0 1 347.499 4.284 20 10 EICDMN CC[C@@H]([NH2+]Cc1cnc(C)s1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215913 1048684463 /nfs/dbraw/zinc/68/44/63/1048684463.db2.gz ONQRGSRNBAIAPR-CYBMUJFWSA-N 0 1 330.375 4.417 20 10 EICDMN CC[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217693 1048686382 /nfs/dbraw/zinc/68/63/82/1048686382.db2.gz ABGDDRFATZKIPW-DZGCQCFKSA-N 0 1 345.386 4.247 20 10 EICDMN CC[C@H](C[C@H](C)CO)[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220874 1048688220 /nfs/dbraw/zinc/68/82/20/1048688220.db2.gz GGKLKOCMHYMGOF-LNSITVRQSA-N 0 1 333.394 4.249 20 10 EICDMN CC[C@@H]([NH2+]CCc1cscn1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223064 1048690975 /nfs/dbraw/zinc/69/09/75/1048690975.db2.gz HHEUJPOHSJOTKL-CYBMUJFWSA-N 0 1 330.375 4.151 20 10 EICDMN CC[C@H]([NH2+]CC[C@H]1CCCCO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810234667 1048700470 /nfs/dbraw/zinc/70/04/70/1048700470.db2.gz GGXSCKDEJXYACL-HIFRSBDPSA-N 0 1 331.378 4.411 20 10 EICDMN CC[C@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236795 1048718318 /nfs/dbraw/zinc/71/83/18/1048718318.db2.gz NKDSPLMMYBVATQ-KBPBESRZSA-N 0 1 343.345 4.168 20 10 EICDMN CC[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236611 1048718704 /nfs/dbraw/zinc/71/87/04/1048718704.db2.gz JBKKEZQQBDYJEY-KGLIPLIRSA-N 0 1 345.386 4.247 20 10 EICDMN CC[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810240828 1048725193 /nfs/dbraw/zinc/72/51/93/1048725193.db2.gz GRLZYIFLNRHCQO-JMSVASOKSA-N 0 1 331.378 4.124 20 10 EICDMN Cc1cccc(C)c1NC(=O)CN(C)Cc1ccc2ccccc2c1O ZINC000816481713 1048812615 /nfs/dbraw/zinc/81/26/15/1048812615.db2.gz GNYFVGWJURJIGJ-UHFFFAOYSA-N 0 1 348.446 4.233 20 10 EICDMN [O-]c1c(C[NH2+]C[C@H](c2ccco2)N2CCCC2)ccc2ccccc21 ZINC000816528548 1048824504 /nfs/dbraw/zinc/82/45/04/1048824504.db2.gz HUGNCQSZXQBBKI-LJQANCHMSA-N 0 1 336.435 4.065 20 10 EICDMN [O-]c1c(C[NH2+]Cc2ccccc2OC(F)F)ccc2ccccc21 ZINC000816531146 1048825120 /nfs/dbraw/zinc/82/51/20/1048825120.db2.gz HJOLBBBSTIASQP-UHFFFAOYSA-N 0 1 329.346 4.437 20 10 EICDMN [O-]c1c(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)ccc2ccccc21 ZINC000816534969 1048825537 /nfs/dbraw/zinc/82/55/37/1048825537.db2.gz AQYLAIJIFAYRMI-KRWDZBQOSA-N 0 1 332.447 4.162 20 10 EICDMN C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816548466 1048827899 /nfs/dbraw/zinc/82/78/99/1048827899.db2.gz ITLQYXGMRDCQHX-LAUBAEHRSA-N 0 1 346.474 4.471 20 10 EICDMN C[C@H](O)C[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])c1ccccc1 ZINC000816556944 1048834740 /nfs/dbraw/zinc/83/47/40/1048834740.db2.gz YVELMJFNNCGTBR-OXJNMPFZSA-N 0 1 335.447 4.190 20 10 EICDMN C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816559278 1048835590 /nfs/dbraw/zinc/83/55/90/1048835590.db2.gz DBFBJUHDRFAMRQ-XOBRGWDASA-N 0 1 339.410 4.286 20 10 EICDMN COc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc3ccccc3c1[O-])C2 ZINC000816567928 1048837460 /nfs/dbraw/zinc/83/74/60/1048837460.db2.gz PMTUGUXTWFFPFG-IBGZPJMESA-N 0 1 333.431 4.201 20 10 EICDMN COCCCN(C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000921192916 1048873656 /nfs/dbraw/zinc/87/36/56/1048873656.db2.gz FSHLCOBQMQQTDI-UHFFFAOYSA-N 0 1 340.427 4.009 20 10 EICDMN C[C@@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CCC1(F)F ZINC000811513491 1049125842 /nfs/dbraw/zinc/12/58/42/1049125842.db2.gz ZVXYONJAFVIBHQ-LLVKDONJSA-N 0 1 336.348 4.249 20 10 EICDMN CN(C)c1ccc(CN(Cc2cncc(C(F)(F)F)c2)C2CC2)cc1 ZINC000812823589 1049584390 /nfs/dbraw/zinc/58/43/90/1049584390.db2.gz FWBMFBXADGAKOD-UHFFFAOYSA-N 0 1 349.400 4.331 20 10 EICDMN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000773255405 1049674568 /nfs/dbraw/zinc/67/45/68/1049674568.db2.gz AKVBBGATRAVCNN-IAGOWNOFSA-N 0 1 325.452 4.184 20 10 EICDMN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000773255405 1049674577 /nfs/dbraw/zinc/67/45/77/1049674577.db2.gz AKVBBGATRAVCNN-IAGOWNOFSA-N 0 1 325.452 4.184 20 10 EICDMN [O-]c1cc2ccccc2cc1C[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171462859 1049714505 /nfs/dbraw/zinc/71/45/05/1049714505.db2.gz KRPCHVKNKQLTBT-SFHVURJKSA-N 0 1 339.385 4.471 20 10 EICDMN Oc1ccc(CN(Cc2ccco2)Cc2ccccc2O)cc1F ZINC000813334240 1049754585 /nfs/dbraw/zinc/75/45/85/1049754585.db2.gz AVFNNTUEKSDEGP-UHFFFAOYSA-N 0 1 327.355 4.032 20 10 EICDMN C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1cc(Cl)ccc1[O-] ZINC000813882915 1049831487 /nfs/dbraw/zinc/83/14/87/1049831487.db2.gz AFYSZQIIVXAGFI-JSGCOSHPSA-N 0 1 334.822 4.114 20 10 EICDMN CC1CCN(c2ccc(CNCc3ccnc(Cl)c3F)cc2)CC1 ZINC000823837158 1049879509 /nfs/dbraw/zinc/87/95/09/1049879509.db2.gz QHHNXVURLLOULT-UHFFFAOYSA-N 0 1 347.865 4.400 20 10 EICDMN COc1ccc([C@@H](NCc2cc(F)c(N(C)C)cc2F)C2CC2)cc1 ZINC001177176030 1050164094 /nfs/dbraw/zinc/16/40/94/1050164094.db2.gz UWYLVRWGHBMPRZ-FQEVSTJZSA-N 0 1 346.421 4.280 20 10 EICDMN Cc1ccc(CNCc2ccc(N3CCSCC3)cc2)c(Cl)c1 ZINC001177315127 1050190354 /nfs/dbraw/zinc/19/03/54/1050190354.db2.gz KTBGPPYRWVBDJY-UHFFFAOYSA-N 0 1 346.927 4.491 20 10 EICDMN CCCCOc1ccccc1CNCc1ccc(N(C)C)c(F)c1 ZINC001177554430 1050240403 /nfs/dbraw/zinc/24/04/03/1050240403.db2.gz XQFUTSTWXPALSR-UHFFFAOYSA-N 0 1 330.447 4.360 20 10 EICDMN CC(C)n1c2ccccc2nc1CNCc1ccc2c(c1)CCCN2C ZINC001177529974 1050242921 /nfs/dbraw/zinc/24/29/21/1050242921.db2.gz XDYVDCGPCQRQEH-UHFFFAOYSA-N 0 1 348.494 4.289 20 10 EICDMN [O-]c1cc2ccccc2cc1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173041544 1050269532 /nfs/dbraw/zinc/26/95/32/1050269532.db2.gz BTTPTXYWCYJGKP-UHFFFAOYSA-N 0 1 325.452 4.374 20 10 EICDMN C[C@H]1c2ccccc2CCN1Cc1cc(Br)ccc1O ZINC001203635822 1050288427 /nfs/dbraw/zinc/28/84/27/1050288427.db2.gz HHLHOMCVIIIQAX-LBPRGKRZSA-N 0 1 332.241 4.274 20 10 EICDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC001204205317 1050309567 /nfs/dbraw/zinc/30/95/67/1050309567.db2.gz RGEILJXNEHVOGX-INIZCTEOSA-N 0 1 331.843 4.084 20 10 EICDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC001204205317 1050309578 /nfs/dbraw/zinc/30/95/78/1050309578.db2.gz RGEILJXNEHVOGX-INIZCTEOSA-N 0 1 331.843 4.084 20 10 EICDMN Cc1nc2ccc(-n3c(=N)ccc(N=Nc4ccccc4)c3N)cc2[nH]1 ZINC001213071580 1050328158 /nfs/dbraw/zinc/32/81/58/1050328158.db2.gz YSPQYSDHPCLEMP-RPIFJFPMSA-N 0 1 343.394 4.139 20 10 EICDMN CO[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)c1ccccc1Cl ZINC000763517977 1050616030 /nfs/dbraw/zinc/61/60/30/1050616030.db2.gz VXTZCHDGDLRVCD-INIZCTEOSA-N 0 1 326.223 4.176 20 10 EICDMN CCC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC001204237371 1050618345 /nfs/dbraw/zinc/61/83/45/1050618345.db2.gz LTPVPRQCXJNEOC-VUCTXSBTSA-N 0 1 341.854 4.210 20 10 EICDMN COc1ccc(O)c([C@@H](C)NCc2coc(-c3cccc(F)c3)n2)c1 ZINC000182407351 1050648841 /nfs/dbraw/zinc/64/88/41/1050648841.db2.gz YDNIINVHFMHSJE-GFCCVEGCSA-N 0 1 342.370 4.046 20 10 EICDMN CCC[N@H+](CCc1cccc(F)c1)Cc1c(C)cc(OC)cc1[O-] ZINC001180133233 1050880786 /nfs/dbraw/zinc/88/07/86/1050880786.db2.gz SFIYCJFWIJBSAK-UHFFFAOYSA-N 0 1 331.431 4.303 20 10 EICDMN CCC[N@@H+](CCc1cccc(F)c1)Cc1c(C)cc(OC)cc1[O-] ZINC001180133233 1050880790 /nfs/dbraw/zinc/88/07/90/1050880790.db2.gz SFIYCJFWIJBSAK-UHFFFAOYSA-N 0 1 331.431 4.303 20 10 EICDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCCN(c2ccccc2)C1 ZINC001180203750 1050913112 /nfs/dbraw/zinc/91/31/12/1050913112.db2.gz ZCOARDWACHJZES-INIZCTEOSA-N 0 1 348.849 4.286 20 10 EICDMN Oc1c(CN2CCc3c(F)cc(F)cc3C2)ccc2ccccc21 ZINC001180219739 1050919809 /nfs/dbraw/zinc/91/98/09/1050919809.db2.gz USUCYAPJGSSXME-UHFFFAOYSA-N 0 1 325.358 4.382 20 10 EICDMN CCC[N@H+](Cc1cccc(Cl)c1[O-])C[C@H]1COc2ccccc2O1 ZINC001180353381 1050965880 /nfs/dbraw/zinc/96/58/80/1050965880.db2.gz FHAMCGMCHUJLBT-HNNXBMFYSA-N 0 1 347.842 4.098 20 10 EICDMN Oc1ccc(Cl)c(F)c1CN1CCSC[C@H]1c1ccccc1 ZINC001180378696 1050972613 /nfs/dbraw/zinc/97/26/13/1050972613.db2.gz DMCFDNKUYJJGIC-HNNXBMFYSA-N 0 1 337.847 4.475 20 10 EICDMN CN(C)c1ccc(/C=C\CN(C)Cc2ccc(Br)o2)cc1 ZINC001180393267 1050980020 /nfs/dbraw/zinc/98/00/20/1050980020.db2.gz MXOIDWATUCQMMR-PLNGDYQASA-N 0 1 349.272 4.253 20 10 EICDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC001180557833 1051035239 /nfs/dbraw/zinc/03/52/39/1051035239.db2.gz HIRCLMFZFSBHQQ-LBPRGKRZSA-N 0 1 344.361 4.191 20 10 EICDMN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1c(F)ccc(O)c1O ZINC001182219155 1051435014 /nfs/dbraw/zinc/43/50/14/1051435014.db2.gz WWJXEFLXVILZPY-UHFFFAOYSA-N 0 1 335.334 4.060 20 10 EICDMN Oc1cc(F)c(Cl)cc1CN1CCc2cccc(Cl)c2C1 ZINC001182271144 1051452283 /nfs/dbraw/zinc/45/22/83/1051452283.db2.gz FZTQRALBTXRKSM-UHFFFAOYSA-N 0 1 326.198 4.396 20 10 EICDMN CC[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775483562 1051555226 /nfs/dbraw/zinc/55/52/26/1051555226.db2.gz YFWKUTPLHPJUFA-CYBMUJFWSA-N 0 1 333.303 4.328 20 10 EICDMN CC[C@@H]([NH2+]Cc1cc(OC)ccc1OC)c1cc(Cl)ccc1[O-] ZINC000775485583 1051558497 /nfs/dbraw/zinc/55/84/97/1051558497.db2.gz XDCLPWATBSSGKF-MRXNPFEDSA-N 0 1 335.831 4.304 20 10 EICDMN CC[C@H]([NH2+][C@@H](C)COCC(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000775497788 1051617533 /nfs/dbraw/zinc/61/75/33/1051617533.db2.gz UEHWPGWMQDLXID-CABZTGNLSA-N 0 1 325.758 4.054 20 10 EICDMN CC[C@@H]([NH2+][C@H](C)COCC(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000775497787 1051617940 /nfs/dbraw/zinc/61/79/40/1051617940.db2.gz UEHWPGWMQDLXID-BXKDBHETSA-N 0 1 325.758 4.054 20 10 EICDMN CC[C@H]([NH2+]CCn1cnc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000775498010 1051618557 /nfs/dbraw/zinc/61/85/57/1051618557.db2.gz VXCVWSOBIJVIPO-HNNXBMFYSA-N 0 1 329.831 4.136 20 10 EICDMN CC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000775497417 1051620824 /nfs/dbraw/zinc/62/08/24/1051620824.db2.gz QGEYJTVLMPBKFW-INIZCTEOSA-N 0 1 336.838 4.492 20 10 EICDMN CC[C@@H]([NH2+]CCCc1nc(C(C)C)no1)c1cc(Cl)ccc1[O-] ZINC000775500784 1051636974 /nfs/dbraw/zinc/63/69/74/1051636974.db2.gz LBRAHYNRWILKOU-CQSZACIVSA-N 0 1 337.851 4.226 20 10 EICDMN CC[C@H](NCc1csc([C@H](C)OC)n1)c1cc(Cl)ccc1O ZINC000775511423 1051658149 /nfs/dbraw/zinc/65/81/49/1051658149.db2.gz FPPHGSIVHOPUTA-HZMBPMFUSA-N 0 1 340.876 4.450 20 10 EICDMN CC[C@@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000775525225 1051706111 /nfs/dbraw/zinc/70/61/11/1051706111.db2.gz IYSWSWFRIQUDJI-SJLPKXTDSA-N 0 1 337.822 4.133 20 10 EICDMN Cc1[nH]nc2cc(Nc3ccccc3C(=O)c3ccncc3)ccc12 ZINC001175665845 1051722727 /nfs/dbraw/zinc/72/27/27/1051722727.db2.gz TXJYUSQKELNWBT-UHFFFAOYSA-N 0 1 328.375 4.241 20 10 EICDMN COC1(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])CCCCC1 ZINC000775564008 1051865896 /nfs/dbraw/zinc/86/58/96/1051865896.db2.gz YBJPDRMPSNCULN-LBPRGKRZSA-N 0 1 342.277 4.155 20 10 EICDMN O=C(NC1CCC(c2ccccc2)CC1)c1cc(O)c(O)c(Cl)c1 ZINC001193626582 1051956855 /nfs/dbraw/zinc/95/68/55/1051956855.db2.gz XFQYCPOYDARFSB-UHFFFAOYSA-N 0 1 345.826 4.207 20 10 EICDMN CC(C)(C)c1ccc(O)c(NC(=O)c2cc(O)c(O)c(Cl)c2)c1 ZINC001193625609 1051957210 /nfs/dbraw/zinc/95/72/10/1051957210.db2.gz PZVLKTZDMZGUGK-UHFFFAOYSA-N 0 1 335.787 4.007 20 10 EICDMN CC[C@@H](C)C1CCC(NC(=O)c2cc(O)c(O)c(Cl)c2)CC1 ZINC001193633947 1051958869 /nfs/dbraw/zinc/95/88/69/1051958869.db2.gz MEXDTMWYKLHVHH-XSRFYTQQSA-N 0 1 325.836 4.086 20 10 EICDMN CCN(C)c1ccc(CN2[C@H](C)CO[C@@H](c3ccccc3)[C@@H]2C)cc1 ZINC001176532870 1052115515 /nfs/dbraw/zinc/11/55/15/1052115515.db2.gz NPBBFYMPWUTBNM-KGVIQGDOSA-N 0 1 338.495 4.493 20 10 EICDMN CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H](C)c1ccc(F)cc1 ZINC000774844501 1052198354 /nfs/dbraw/zinc/19/83/54/1052198354.db2.gz DHZGEGVYFPEISZ-GFCCVEGCSA-N 0 1 348.374 4.031 20 10 EICDMN CC(C)(C)OC(=O)NCCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000774881675 1052250487 /nfs/dbraw/zinc/25/04/87/1052250487.db2.gz VSEVLPHHRKRXMJ-UHFFFAOYSA-N 0 1 348.487 4.052 20 10 EICDMN CC(C)(C)OC(=O)NCCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000774881675 1052250490 /nfs/dbraw/zinc/25/04/90/1052250490.db2.gz VSEVLPHHRKRXMJ-UHFFFAOYSA-N 0 1 348.487 4.052 20 10 EICDMN C[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccc2ccccc2c1[O-] ZINC000185091096 1052409350 /nfs/dbraw/zinc/40/93/50/1052409350.db2.gz GOHYIZYHWOHXMY-HNNXBMFYSA-N 0 1 340.467 4.035 20 10 EICDMN C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc2ccccc2c1[O-] ZINC000185162669 1052497125 /nfs/dbraw/zinc/49/71/25/1052497125.db2.gz YJSKLTANIOVMED-ORAYPTAESA-N 0 1 325.383 4.069 20 10 EICDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000131184726 1052592084 /nfs/dbraw/zinc/59/20/84/1052592084.db2.gz YDTRFQBAQULUFZ-INIZCTEOSA-N 0 1 331.843 4.084 20 10 EICDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000131184726 1052592093 /nfs/dbraw/zinc/59/20/93/1052592093.db2.gz YDTRFQBAQULUFZ-INIZCTEOSA-N 0 1 331.843 4.084 20 10 EICDMN COC[C@@H](N[C@H](C)c1cc2c(cc1O)CCCC2)c1ccc(C)o1 ZINC000185630760 1052662225 /nfs/dbraw/zinc/66/22/25/1052662225.db2.gz KEBURQOQHAEHBN-RDTXWAMCSA-N 0 1 329.440 4.211 20 10 EICDMN CC(C)Oc1c(F)cc(NCc2ccc(F)c(F)c2O)cc1F ZINC000864034225 1053171340 /nfs/dbraw/zinc/17/13/40/1053171340.db2.gz ZHBZZZDMXFTQQP-UHFFFAOYSA-N 0 1 329.293 4.348 20 10 EICDMN CC[C@H]([NH2+]C[C@H](C)c1ccccn1)c1cc(Br)ccc1[O-] ZINC000850482034 1053254132 /nfs/dbraw/zinc/25/41/32/1053254132.db2.gz MDJXAEDGMXIETH-WFASDCNBSA-N 0 1 349.272 4.394 20 10 EICDMN COc1ccc(N2CC[C@@H](N[C@H](C)c3csc(C(C)C)n3)C2)cc1 ZINC000850488782 1053255560 /nfs/dbraw/zinc/25/55/60/1053255560.db2.gz OSJGBOFIWGEWGQ-HUUCEWRRSA-N 0 1 345.512 4.205 20 10 EICDMN CCN(C)c1ccc([C@H](C)NCc2c(OC)cccc2OC)cc1 ZINC000850504968 1053265451 /nfs/dbraw/zinc/26/54/51/1053265451.db2.gz JDEKLFDFRMQNFO-HNNXBMFYSA-N 0 1 328.456 4.011 20 10 EICDMN C[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1cc(Br)ccc1[O-] ZINC000850553594 1053307621 /nfs/dbraw/zinc/30/76/21/1053307621.db2.gz ZHGWHWXGTSIVAM-PRHODGIISA-N 0 1 334.204 4.097 20 10 EICDMN CCSC1(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000850552295 1053307777 /nfs/dbraw/zinc/30/77/77/1053307777.db2.gz LTXALBGBSAJMJE-SNVBAGLBSA-N 0 1 330.291 4.091 20 10 EICDMN CC[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000850570197 1053324827 /nfs/dbraw/zinc/32/48/27/1053324827.db2.gz FSKZVWSTZHXMFH-JSGCOSHPSA-N 0 1 331.378 4.267 20 10 EICDMN COc1ccc(Cl)cc1C[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000775646374 1053338762 /nfs/dbraw/zinc/33/87/62/1053338762.db2.gz HZGSTBQCIYHASU-UHFFFAOYSA-N 0 1 326.223 4.340 20 10 EICDMN Cc1cccc(CN(C)Cc2cc(Br)ccc2F)c1O ZINC000775649190 1053367329 /nfs/dbraw/zinc/36/73/29/1053367329.db2.gz MGWPDISSIWOEJP-UHFFFAOYSA-N 0 1 338.220 4.234 20 10 EICDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000775651088 1053379389 /nfs/dbraw/zinc/37/93/89/1053379389.db2.gz XIXVISZAOPVYDZ-MRXNPFEDSA-N 0 1 338.234 4.273 20 10 EICDMN [O-]c1c(Cl)cccc1C[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000775651088 1053379408 /nfs/dbraw/zinc/37/94/08/1053379408.db2.gz XIXVISZAOPVYDZ-MRXNPFEDSA-N 0 1 338.234 4.273 20 10 EICDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000865654629 1053566847 /nfs/dbraw/zinc/56/68/47/1053566847.db2.gz SRNBTLLOGXAJFA-HNNXBMFYSA-N 0 1 344.213 4.051 20 10 EICDMN CN(Cc1nc2c(s1)CCCC2)Cc1cc(Cl)cc(F)c1O ZINC000775690762 1053609044 /nfs/dbraw/zinc/60/90/44/1053609044.db2.gz SPBJZTCYOLJDLM-UHFFFAOYSA-N 0 1 340.851 4.152 20 10 EICDMN C[N@H+](Cc1nc2c(s1)CCCC2)Cc1cc(Cl)cc(F)c1[O-] ZINC000775690762 1053609056 /nfs/dbraw/zinc/60/90/56/1053609056.db2.gz SPBJZTCYOLJDLM-UHFFFAOYSA-N 0 1 340.851 4.152 20 10 EICDMN C[N@@H+](Cc1nc2c(s1)CCCC2)Cc1cc(Cl)cc(F)c1[O-] ZINC000775690762 1053609062 /nfs/dbraw/zinc/60/90/62/1053609062.db2.gz SPBJZTCYOLJDLM-UHFFFAOYSA-N 0 1 340.851 4.152 20 10 EICDMN CCOCc1cc(CN[C@H](C)c2cc3cnccc3o2)ccc1OC ZINC000865853050 1053610215 /nfs/dbraw/zinc/61/02/15/1053610215.db2.gz FIOKCBQOLLSVEG-CQSZACIVSA-N 0 1 340.423 4.224 20 10 EICDMN Cc1ccccc1[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])[C@@H](C)CO1 ZINC000775715465 1053663446 /nfs/dbraw/zinc/66/34/46/1053663446.db2.gz XQCULVTZNDQDNC-KBXCAEBGSA-N 0 1 331.843 4.316 20 10 EICDMN O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000775713700 1053664212 /nfs/dbraw/zinc/66/42/12/1053664212.db2.gz LWDBNUNASHJHHW-CQSZACIVSA-N 0 1 347.817 4.280 20 10 EICDMN Oc1cccc(Cl)c1CNCc1cc(F)ccc1Br ZINC000083552015 1053680037 /nfs/dbraw/zinc/68/00/37/1053680037.db2.gz RSPFHVYNDDXSLL-UHFFFAOYSA-N 0 1 344.611 4.237 20 10 EICDMN CCN(C)c1ccc([C@H](C)NCc2noc3ccc(F)cc23)cc1 ZINC000866511327 1053762864 /nfs/dbraw/zinc/76/28/64/1053762864.db2.gz OPLLCDUKNMVUAG-ZDUSSCGKSA-N 0 1 327.403 4.274 20 10 EICDMN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1OC(F)(F)F ZINC000765607887 1053802546 /nfs/dbraw/zinc/80/25/46/1053802546.db2.gz FHAKLBYONIPWBA-GFCCVEGCSA-N 0 1 337.341 4.371 20 10 EICDMN CC[C@@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(C(F)(F)F)cc1[O-] ZINC000866633130 1053811665 /nfs/dbraw/zinc/81/16/65/1053811665.db2.gz FZHBPEXRGGBCQH-KGLIPLIRSA-N 0 1 339.361 4.183 20 10 EICDMN CCn1c(CN[C@H](C)c2ccc(N(C)C)cc2)nc2c1cccc2F ZINC000775831868 1054105494 /nfs/dbraw/zinc/10/54/94/1054105494.db2.gz VQYYAGABNPLBCS-CQSZACIVSA-N 0 1 340.446 4.112 20 10 EICDMN C[C@@H](NCc1cc(-c2ccc(F)cc2)no1)c1ccc(N(C)C)cc1 ZINC000775835779 1054118203 /nfs/dbraw/zinc/11/82/03/1054118203.db2.gz JEOKCWGXMYKHAW-CQSZACIVSA-N 0 1 339.414 4.398 20 10 EICDMN C[C@H](NCc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000775835688 1054119000 /nfs/dbraw/zinc/11/90/00/1054119000.db2.gz WAMJIHNNYIVMAP-LBPRGKRZSA-N 0 1 333.819 4.165 20 10 EICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCCC1(F)F ZINC000857508181 1054286248 /nfs/dbraw/zinc/28/62/48/1054286248.db2.gz OCBUQTFXIVQQDC-SNVBAGLBSA-N 0 1 338.181 4.141 20 10 EICDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc2c(c1)CCO2 ZINC000872030605 1054348161 /nfs/dbraw/zinc/34/81/61/1054348161.db2.gz IKOBROCSYLLNPP-LBPRGKRZSA-N 0 1 344.436 4.102 20 10 EICDMN C[C@H](NCc1nc(-c2ccncc2)cs1)c1ccc(N(C)C)cc1 ZINC000872121996 1054400416 /nfs/dbraw/zinc/40/04/16/1054400416.db2.gz IPLZJVRXQXGTGQ-AWEZNQCLSA-N 0 1 338.480 4.122 20 10 EICDMN CC(C)([NH2+]Cc1c([O-])cccc1Br)c1cccc(F)c1 ZINC000858141426 1054423526 /nfs/dbraw/zinc/42/35/26/1054423526.db2.gz OGQMMNDBODGLKH-UHFFFAOYSA-N 0 1 338.220 4.319 20 10 EICDMN C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000776014465 1054439706 /nfs/dbraw/zinc/43/97/06/1054439706.db2.gz RWTWACPWQSLWBF-GZMMTYOYSA-N 0 1 325.733 4.348 20 10 EICDMN Cc1cc(CNCc2cncn2C(C)C)c(C)n1-c1cccc(C)c1 ZINC000858292985 1054455953 /nfs/dbraw/zinc/45/59/53/1054455953.db2.gz HXSXHHFQFYBKSP-UHFFFAOYSA-N 0 1 336.483 4.470 20 10 EICDMN CCCOc1ccc(CNCc2cccnc2N2CCCC2)cc1C ZINC000873134452 1054491053 /nfs/dbraw/zinc/49/10/53/1054491053.db2.gz AGCNKVTYRYQFPW-UHFFFAOYSA-N 0 1 339.483 4.069 20 10 EICDMN CC[C@@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1cc(Cl)ccc1[O-] ZINC000858453012 1054492817 /nfs/dbraw/zinc/49/28/17/1054492817.db2.gz RMKDUNUZRYNORD-GFCCVEGCSA-N 0 1 347.768 4.039 20 10 EICDMN CC[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000858546521 1054511316 /nfs/dbraw/zinc/51/13/16/1054511316.db2.gz BGBLYHOCZUWLRK-NOLJZWGESA-N 0 1 329.362 4.019 20 10 EICDMN COc1cccc([C@@H](C)NC2(c3c(F)cccc3F)CCC2)c1O ZINC000858604953 1054533094 /nfs/dbraw/zinc/53/30/94/1054533094.db2.gz QPPYOGOQSONETC-GFCCVEGCSA-N 0 1 333.378 4.409 20 10 EICDMN Cc1c(Cl)cccc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001201063187 1054633144 /nfs/dbraw/zinc/63/31/44/1054633144.db2.gz YOFXOKGLQSMBJK-UHFFFAOYSA-N 0 1 329.875 4.012 20 10 EICDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001201735943 1054906239 /nfs/dbraw/zinc/90/62/39/1054906239.db2.gz ZBOQMLQRQIOUOY-ZDUSSCGKSA-N 0 1 346.268 4.049 20 10 EICDMN [O-]c1cccc(Br)c1C[NH2+]CC1CC(c2ccccc2)C1 ZINC001202126272 1055041934 /nfs/dbraw/zinc/04/19/34/1055041934.db2.gz IEDVYTNRNSRYLF-UHFFFAOYSA-N 0 1 346.268 4.438 20 10 EICDMN C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862326508 1055050959 /nfs/dbraw/zinc/05/09/59/1055050959.db2.gz PHNJHGWHDYWCGU-BLLLJJGKSA-N 0 1 347.256 4.133 20 10 EICDMN C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862326508 1055050972 /nfs/dbraw/zinc/05/09/72/1055050972.db2.gz PHNJHGWHDYWCGU-BLLLJJGKSA-N 0 1 347.256 4.133 20 10 EICDMN CC(=O)N(c1ccc(NCc2ccc(F)c(F)c2O)cc1)[C@@H]1C[C@@H]1C ZINC000877553960 1055079175 /nfs/dbraw/zinc/07/91/75/1055079175.db2.gz DOQKSFKXRKOXCB-APPDUMDISA-N 0 1 346.377 4.044 20 10 EICDMN C[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1ccns1 ZINC000862539941 1055079384 /nfs/dbraw/zinc/07/93/84/1055079384.db2.gz VBKQRRBBSWIHMP-SNVBAGLBSA-N 0 1 329.391 4.079 20 10 EICDMN CC1(C)CCc2onc(CNCc3ccc4ccccc4c3O)c2C1 ZINC000877809966 1055126007 /nfs/dbraw/zinc/12/60/07/1055126007.db2.gz KQDQRYMCTBPPQC-UHFFFAOYSA-N 0 1 336.435 4.338 20 10 EICDMN COc1cccc(CN[C@H](c2ccccc2)c2ccccc2OC)c1O ZINC000108421286 1055295908 /nfs/dbraw/zinc/29/59/08/1055295908.db2.gz BPJVSYQEYOAFPE-OAQYLSRUSA-N 0 1 349.430 4.289 20 10 EICDMN C[C@@H](NCc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000131754755 1056675830 /nfs/dbraw/zinc/67/58/30/1056675830.db2.gz TUHSIXOHLIQPFF-CQSZACIVSA-N 0 1 348.849 4.167 20 10 EICDMN C[C@H](NCc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000131754528 1056679579 /nfs/dbraw/zinc/67/95/79/1056679579.db2.gz TUHSIXOHLIQPFF-AWEZNQCLSA-N 0 1 348.849 4.167 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c1O ZINC001167398592 1022017258 /nfs/dbraw/zinc/01/72/58/1022017258.db2.gz TWHCAQQRGDIDIR-BBRMVZONSA-N 0 1 327.399 4.112 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c1[O-] ZINC001167398592 1022017274 /nfs/dbraw/zinc/01/72/74/1022017274.db2.gz TWHCAQQRGDIDIR-BBRMVZONSA-N 0 1 327.399 4.112 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c1[O-] ZINC001167398592 1022017291 /nfs/dbraw/zinc/01/72/91/1022017291.db2.gz TWHCAQQRGDIDIR-BBRMVZONSA-N 0 1 327.399 4.112 20 10 EICDMN C[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000363855912 1022859375 /nfs/dbraw/zinc/85/93/75/1022859375.db2.gz OALJQSUMQMEYRY-DJJJIMSYSA-N 0 1 341.842 4.219 20 10 EICDMN C[C@H](N[C@H](c1cnn(C)c1)c1ccccc1)c1cc(Cl)ccc1O ZINC000363855912 1022859378 /nfs/dbraw/zinc/85/93/78/1022859378.db2.gz OALJQSUMQMEYRY-DJJJIMSYSA-N 0 1 341.842 4.219 20 10 EICDMN C[C@H]([NH2+]Cc1c([O-])cccc1Br)c1ccc(F)c(F)c1 ZINC000706833759 1022885678 /nfs/dbraw/zinc/88/56/78/1022885678.db2.gz FOMWJEGXDRNNKN-VIFPVBQESA-N 0 1 342.183 4.284 20 10 EICDMN C[C@H](NCc1ccn(C2CCCC2)n1)c1cc2c(cc1O)CCCC2 ZINC000186138299 1023100803 /nfs/dbraw/zinc/10/08/03/1023100803.db2.gz KYUKUESNPSITEA-HNNXBMFYSA-N 0 1 339.483 4.433 20 10 EICDMN C[C@@H]([NH2+]Cc1cccc(N(C)C)c1)c1cc(Br)ccc1[O-] ZINC000756533562 1023399863 /nfs/dbraw/zinc/39/98/63/1023399863.db2.gz JCHXSHOQAYNHEI-GFCCVEGCSA-N 0 1 349.272 4.072 20 10 EICDMN C[C@@H](NCc1cccc(F)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000124297993 1023910832 /nfs/dbraw/zinc/91/08/32/1023910832.db2.gz TXNAKSQWZLQFNA-CQSZACIVSA-N 0 1 348.849 4.167 20 10 EICDMN C[C@H](NCc1cccc(F)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000124297788 1023910957 /nfs/dbraw/zinc/91/09/57/1023910957.db2.gz TXNAKSQWZLQFNA-AWEZNQCLSA-N 0 1 348.849 4.167 20 10 EICDMN CC[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cc(Br)ccc1[O-] ZINC000248551541 1024872520 /nfs/dbraw/zinc/87/25/20/1024872520.db2.gz IQBIZJLYWBBPGY-NDPMZMCLSA-N 0 1 342.277 4.151 20 10 EICDMN C[C@@H](NCc1cnc(CC(F)(F)F)s1)c1ccc(N(C)C)cc1 ZINC000893682836 1026332916 /nfs/dbraw/zinc/33/29/16/1026332916.db2.gz DGHHDBVJBZMMON-LLVKDONJSA-N 0 1 343.418 4.165 20 10 EICDMN Cc1nnc([C@@H](C)NCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)[nH]1 ZINC000894771579 1026413752 /nfs/dbraw/zinc/41/37/52/1026413752.db2.gz NYTULBPTYXDFDK-GFCCVEGCSA-N 0 1 344.503 4.265 20 10 EICDMN CCCC(=O)Nc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000113322849 1026782471 /nfs/dbraw/zinc/78/24/71/1026782471.db2.gz JTMJJFBKIDVWIP-UHFFFAOYSA-N 0 1 332.831 4.074 20 10 EICDMN CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1ccc(N(C)C)cc1 ZINC001167594738 1026909736 /nfs/dbraw/zinc/90/97/36/1026909736.db2.gz QUIJJSOUFPUOJH-NRFANRHFSA-N 0 1 348.494 4.459 20 10 EICDMN C[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708132544 1027403762 /nfs/dbraw/zinc/40/37/62/1027403762.db2.gz DLRUIADXCSNOPN-ZJUUUORDSA-N 0 1 332.669 4.429 20 10 EICDMN CCN(CC)c1ccc(CNCc2nc3cc(C)ccc3n2C)cc1 ZINC000187586192 1028663282 /nfs/dbraw/zinc/66/32/82/1028663282.db2.gz VCCFZTRYUSNCAL-UHFFFAOYSA-N 0 1 336.483 4.018 20 10 EICDMN CC[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000530213516 1030223076 /nfs/dbraw/zinc/22/30/76/1030223076.db2.gz ADDYXVCPOLDJOZ-OLZOCXBDSA-N 0 1 329.271 4.024 20 10 EICDMN CCOCc1cc(CN[C@H](c2ccccn2)C2CCC2)ccc1OC ZINC000527770904 1030851493 /nfs/dbraw/zinc/85/14/93/1030851493.db2.gz HAWGJTNJBOUQRT-NRFANRHFSA-N 0 1 340.467 4.258 20 10 EICDMN CC[C@@H]([NH2+]Cc1cccnc1C)c1cc(Br)ccc1[O-] ZINC000527986197 1031040982 /nfs/dbraw/zinc/04/09/82/1031040982.db2.gz JUMLXBUBAJCCSO-OAHLLOKOSA-N 0 1 335.245 4.099 20 10 EICDMN COc1ccc([C@H]([NH2+][C@H](C)c2ccc(Cl)cc2[O-])C2CC2)cn1 ZINC000528042262 1031059541 /nfs/dbraw/zinc/05/95/41/1031059541.db2.gz CPUHMWGAWVTTCE-ADLMAVQZSA-N 0 1 332.831 4.251 20 10 EICDMN CCOc1cccc(CN(C)[C@@H](c2ccccc2)c2ccccn2)c1O ZINC000130939802 1031854930 /nfs/dbraw/zinc/85/49/30/1031854930.db2.gz DKIHDNSCQODESC-NRFANRHFSA-N 0 1 348.446 4.407 20 10 EICDMN COc1cc(CN(C)Cc2scnc2C)c(O)c(C(C)(C)C)c1 ZINC000178891960 1034882279 /nfs/dbraw/zinc/88/22/79/1034882279.db2.gz FLSXGZJPSMPCKM-UHFFFAOYSA-N 0 1 334.485 4.095 20 10 EICDMN Cc1ccc([C@@H](C)[NH2+]Cc2cc(Br)ccc2[O-])s1 ZINC000227439589 1035799052 /nfs/dbraw/zinc/79/90/52/1035799052.db2.gz GDWGAIAYFBLNQN-SNVBAGLBSA-N 0 1 326.259 4.375 20 10 EICDMN CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc(C)cc(OC)c1O)CCC2 ZINC000164510987 1036163393 /nfs/dbraw/zinc/16/33/93/1036163393.db2.gz JRMDWFVBCYSPGA-HNNXBMFYSA-N 0 1 346.496 4.238 20 10 EICDMN Cc1ccc([C@@H](C)NCc2nnc(-c3ccccc3)s2)c(O)c1C ZINC000273456759 1037470997 /nfs/dbraw/zinc/47/09/97/1037470997.db2.gz HGJYLHMARSRKQK-CQSZACIVSA-N 0 1 339.464 4.378 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273488019 1037481411 /nfs/dbraw/zinc/48/14/11/1037481411.db2.gz MSTUQWBELLOQGP-KBXCAEBGSA-N 0 1 335.806 4.195 20 10 EICDMN Cc1ccc([C@H](C)NCc2nccn2CCc2ccccc2)c(O)c1C 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COC(=O)CC[N@@H+](Cc1cc2oc3ccccc3c2cc1[O-])C(C)C ZINC000733182846 1044125894 /nfs/dbraw/zinc/12/58/94/1044125894.db2.gz AYZBUIPZICZIOH-UHFFFAOYSA-N 0 1 341.407 4.065 20 10 EICDMN Cc1ccc(Br)cc1NCc1ccc(F)c(F)c1O ZINC000703348675 1044129382 /nfs/dbraw/zinc/12/93/82/1044129382.db2.gz QBUCLIFNJOZZHL-UHFFFAOYSA-N 0 1 328.156 4.353 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1ccc(N2CCCCC2)cc1 ZINC000733324798 1044189424 /nfs/dbraw/zinc/18/94/24/1044189424.db2.gz CTCDIGUAWBNZMG-UHFFFAOYSA-N 0 1 344.886 4.368 20 10 EICDMN Cc1ccc([C@@H](C[NH2+]Cc2c([O-])cccc2Cl)N2CCCC2)cc1 ZINC000733326386 1044193105 /nfs/dbraw/zinc/19/31/05/1044193105.db2.gz ZRBKLJZBLHUTPF-LJQANCHMSA-N 0 1 344.886 4.281 20 10 EICDMN Oc1ccc(-c2ccccc2)cc1CNCc1nc2c(s1)CCC2 ZINC000922469832 1044744630 /nfs/dbraw/zinc/74/46/30/1044744630.db2.gz JHGNWXRUOOHYRI-UHFFFAOYSA-N 0 1 336.460 4.294 20 10 EICDMN C[C@@H]1CC2(C[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-])CCOCC2 ZINC000843431619 1044968411 /nfs/dbraw/zinc/96/84/11/1044968411.db2.gz 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Cc1cccc(C2(O)CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)c1C ZINC000769496845 1045995003 /nfs/dbraw/zinc/99/50/03/1045995003.db2.gz MYZQWPMGNHZMBJ-UHFFFAOYSA-N 0 1 345.870 4.146 20 10 EICDMN Cn1cccc1[C@@H]1CCCCN1Cc1cc(Br)ccc1O ZINC000769537542 1046014368 /nfs/dbraw/zinc/01/43/68/1046014368.db2.gz LVYRZOJIAFBWGT-INIZCTEOSA-N 0 1 349.272 4.220 20 10 EICDMN COc1ccccc1[C@H](C[NH2+]Cc1cc(Cl)ccc1[O-])OC(C)C ZINC000769932684 1046114527 /nfs/dbraw/zinc/11/45/27/1046114527.db2.gz IGWYNSRCHMILHU-IBGZPJMESA-N 0 1 349.858 4.310 20 10 EICDMN C[C@@H](N[C@@H](CO)c1ccsc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000769985043 1046121651 /nfs/dbraw/zinc/12/16/51/1046121651.db2.gz GDQVIIRFAATOPR-KDOFPFPSSA-N 0 1 348.487 4.262 20 10 EICDMN C[C@@H](Nc1cnn(C)c1C1CC1)c1ccc(Cl)c(Cl)c1O ZINC000769985840 1046121825 /nfs/dbraw/zinc/12/18/25/1046121825.db2.gz FDKGDAQOILDVCN-MRVPVSSYSA-N 0 1 326.227 4.483 20 10 EICDMN [O-]c1ccccc1C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000770504561 1046210297 /nfs/dbraw/zinc/21/02/97/1046210297.db2.gz 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KZLIMZVJYBBWQY-INIZCTEOSA-N 0 1 338.373 4.351 20 10 EICDMN CC1(C)C[N@H+](Cc2c([O-])ccc3ccncc32)CC[C@@H]1C(F)(F)F ZINC000790460109 1047593824 /nfs/dbraw/zinc/59/38/24/1047593824.db2.gz KZLIMZVJYBBWQY-INIZCTEOSA-N 0 1 338.373 4.351 20 10 EICDMN Oc1c(Cl)cc(Cl)cc1CNc1ncnc2ccsc21 ZINC000808089104 1047603090 /nfs/dbraw/zinc/60/30/90/1047603090.db2.gz HOQKLDWYRNXXGK-UHFFFAOYSA-N 0 1 326.208 4.316 20 10 EICDMN COc1ccc([N+](=O)[O-])c(NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000808090270 1047605007 /nfs/dbraw/zinc/60/50/07/1047605007.db2.gz WQRUVXWJNOHPIA-UHFFFAOYSA-N 0 1 343.166 4.228 20 10 EICDMN C[C@H]1CCCN(c2ccc(CNCc3ccncc3F)cc2Cl)C1 ZINC000824339097 1047856498 /nfs/dbraw/zinc/85/64/98/1047856498.db2.gz OFSWZLXABWMIGN-AWEZNQCLSA-N 0 1 347.865 4.400 20 10 EICDMN COc1c([O-])c(C[N@@H+](C(C)C)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000814169534 1047872996 /nfs/dbraw/zinc/87/29/96/1047872996.db2.gz JELINXSDHXECPS-CQSZACIVSA-N 0 1 344.411 4.281 20 10 EICDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1Cl ZINC000824926828 1047995847 /nfs/dbraw/zinc/99/58/47/1047995847.db2.gz HXENCMZUIBHOPM-WMLDXEAASA-N 0 1 335.831 4.035 20 10 EICDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1Cl ZINC000824926828 1047995884 /nfs/dbraw/zinc/99/58/84/1047995884.db2.gz HXENCMZUIBHOPM-WMLDXEAASA-N 0 1 335.831 4.035 20 10 EICDMN CC[C@@H](N[C@@H](C)c1nccn1CC)c1ccc(C(F)(F)F)cc1O ZINC000825004959 1048010904 /nfs/dbraw/zinc/01/09/04/1048010904.db2.gz AKMRDNPNUSELJK-SMDDNHRTSA-N 0 1 341.377 4.429 20 10 EICDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(OC(F)F)cc2)cc1Cl ZINC000825044635 1048025363 /nfs/dbraw/zinc/02/53/63/1048025363.db2.gz YNGWOLQFZHTRHM-UHFFFAOYSA-N 0 1 327.758 4.245 20 10 EICDMN COc1ccc(OC)c([C@@H](C)[NH2+]Cc2cc(Cl)c(C)cc2[O-])c1 ZINC000825058947 1048027750 /nfs/dbraw/zinc/02/77/50/1048027750.db2.gz ORJNPPVMDOZTKD-GFCCVEGCSA-N 0 1 335.831 4.222 20 10 EICDMN Cc1ccc2nc(CN[C@H](C)c3cc(Cl)cc(C)c3O)cn2c1 ZINC000808690898 1048039284 /nfs/dbraw/zinc/03/92/84/1048039284.db2.gz GSNHCQIXXFOOQX-CYBMUJFWSA-N 0 1 329.831 4.161 20 10 EICDMN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1[O-] ZINC000808712043 1048059075 /nfs/dbraw/zinc/05/90/75/1048059075.db2.gz ZUUZGHUYKWKCSE-WPPQDWHVSA-N 0 1 335.875 4.352 20 10 EICDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)c1[O-] ZINC000808697853 1048080058 /nfs/dbraw/zinc/08/00/58/1048080058.db2.gz XJFMRPPKPBXOCF-GOEBONIOSA-N 0 1 333.859 4.171 20 10 EICDMN Nc1ccc(CC(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)cc1 ZINC000844188376 1048218710 /nfs/dbraw/zinc/21/87/10/1048218710.db2.gz RWYXXYBAZKEMPO-UHFFFAOYSA-N 0 1 348.450 4.374 20 10 EICDMN COc1cc(CC[NH2+]Cc2c([O-])cccc2Cl)ccc1Cl ZINC000815164585 1048356591 /nfs/dbraw/zinc/35/65/91/1048356591.db2.gz YDTRLZSRXKSWSY-UHFFFAOYSA-N 0 1 326.223 4.040 20 10 EICDMN [O-]c1ccc(Cl)cc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000809699993 1048464354 /nfs/dbraw/zinc/46/43/54/1048464354.db2.gz VPEBRQGUGGHARZ-GUDVDZBRSA-N 0 1 343.854 4.050 20 10 EICDMN [O-]c1ccc(Cl)cc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000809699993 1048464369 /nfs/dbraw/zinc/46/43/69/1048464369.db2.gz VPEBRQGUGGHARZ-GUDVDZBRSA-N 0 1 343.854 4.050 20 10 EICDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000809728882 1048481383 /nfs/dbraw/zinc/48/13/83/1048481383.db2.gz KEDKUQRRSDULSP-INIZCTEOSA-N 0 1 347.256 4.195 20 10 EICDMN Cc1cc(Cl)cc(CN[C@@H](C)c2nccn2-c2ccccc2)c1O ZINC000809769070 1048504187 /nfs/dbraw/zinc/50/41/87/1048504187.db2.gz GIVBZLZTNPFJLL-AWEZNQCLSA-N 0 1 341.842 4.391 20 10 EICDMN CC[C@H]([NH2+]CCc1ccc(O)cc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810211842 1048680782 /nfs/dbraw/zinc/68/07/82/1048680782.db2.gz IIMMXNYVYWUHLX-INIZCTEOSA-N 0 1 339.357 4.400 20 10 EICDMN CC[C@H]([NH2+]Cc1cccc(CO)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217291 1048686430 /nfs/dbraw/zinc/68/64/30/1048686430.db2.gz ZYYXXMCQZBJNNT-INIZCTEOSA-N 0 1 339.357 4.144 20 10 EICDMN CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220873 1048687967 /nfs/dbraw/zinc/68/79/67/1048687967.db2.gz GGKLKOCMHYMGOF-KYOSRNDESA-N 0 1 333.394 4.249 20 10 EICDMN CCc1cc(C[NH2+][C@H](CC)c2ccc(C(F)(F)F)cc2[O-])on1 ZINC000810219820 1048688574 /nfs/dbraw/zinc/68/85/74/1048688574.db2.gz NLHPJPMIODGKBW-CQSZACIVSA-N 0 1 328.334 4.202 20 10 EICDMN CC[C@H]([NH2+][C@H](C)Cc1ccncc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810221130 1048688636 /nfs/dbraw/zinc/68/86/36/1048688636.db2.gz APMAXSRQSXMPNB-WBMJQRKESA-N 0 1 338.373 4.478 20 10 EICDMN CC[C@H]([NH2+]C[C@H](O)c1ccc(C)o1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219985 1048688902 /nfs/dbraw/zinc/68/89/02/1048688902.db2.gz NXHTWRMZOFBINT-ZFWWWQNUSA-N 0 1 343.345 4.087 20 10 EICDMN CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220168 1048688934 /nfs/dbraw/zinc/68/89/34/1048688934.db2.gz RCAXTJNKTUKCHJ-OCVGTWLNSA-N 0 1 343.389 4.265 20 10 EICDMN CC[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810221628 1048689915 /nfs/dbraw/zinc/68/99/15/1048689915.db2.gz ILPRLLHKLYMCAA-GHJWDPDVSA-N 0 1 342.405 4.077 20 10 EICDMN CC[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810222977 1048692908 /nfs/dbraw/zinc/69/29/08/1048692908.db2.gz AUXVNXPNZLUGRX-JMSVASOKSA-N 0 1 331.378 4.267 20 10 EICDMN CC[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810226379 1048694651 /nfs/dbraw/zinc/69/46/51/1048694651.db2.gz FDHXEESWFNAKEQ-SMDDNHRTSA-N 0 1 333.394 4.249 20 10 EICDMN CC[C@@H]([NH2+]CCCOCC1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208057 1048703045 /nfs/dbraw/zinc/70/30/45/1048703045.db2.gz SHNJQBRZKLJNKU-OAHLLOKOSA-N 0 1 331.378 4.268 20 10 EICDMN CC[C@@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810259681 1048712466 /nfs/dbraw/zinc/71/24/66/1048712466.db2.gz PEZPAVXYYHDSEC-HUUCEWRRSA-N 0 1 331.378 4.003 20 10 EICDMN C[C@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1cc(Cl)ccc1[O-] ZINC000810253476 1048732009 /nfs/dbraw/zinc/73/20/09/1048732009.db2.gz VBNDFHLCELRAGS-APPDUMDISA-N 0 1 337.872 4.246 20 10 EICDMN [O-]c1c(C[N@@H+]2CCCN(c3ccccc3)CC2)ccc2ccccc21 ZINC000816495394 1048814601 /nfs/dbraw/zinc/81/46/01/1048814601.db2.gz VQPGOAUJBPRQFK-UHFFFAOYSA-N 0 1 332.447 4.258 20 10 EICDMN [O-]c1c(C[N@H+]2CCCN(c3ccccc3)CC2)ccc2ccccc21 ZINC000816495394 1048814602 /nfs/dbraw/zinc/81/46/02/1048814602.db2.gz VQPGOAUJBPRQFK-UHFFFAOYSA-N 0 1 332.447 4.258 20 10 EICDMN Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])s1 ZINC000816506618 1048821233 /nfs/dbraw/zinc/82/12/33/1048821233.db2.gz IIXPBMKOBMBFIX-SECBINFHSA-N 0 1 328.840 4.451 20 10 EICDMN [O-]c1c(C[NH2+]CCCn2cnc3ccccc32)ccc2ccccc21 ZINC000816530428 1048824270 /nfs/dbraw/zinc/82/42/70/1048824270.db2.gz HYNWGROADRCRHB-UHFFFAOYSA-N 0 1 331.419 4.075 20 10 EICDMN CCn1c2ccccc2nc1[C@H](C)N[C@@H](C)c1cccc(OC)c1O ZINC000846156764 1048824423 /nfs/dbraw/zinc/82/44/23/1048824423.db2.gz YBLUTGQGXYMWRT-KBPBESRZSA-N 0 1 339.439 4.182 20 10 EICDMN [O-]c1c(C[NH2+]Cc2ccccc2-n2ccnc2)ccc2ccccc21 ZINC000816539185 1048826680 /nfs/dbraw/zinc/82/66/80/1048826680.db2.gz VOUODESPCOAWIU-UHFFFAOYSA-N 0 1 329.403 4.021 20 10 EICDMN COc1cccc([C@H](C)N[C@@H](C)c2nc(C(F)(F)F)cs2)c1O ZINC000846167120 1048827232 /nfs/dbraw/zinc/82/72/32/1048827232.db2.gz GSEXLCCRVJGVAJ-IUCAKERBSA-N 0 1 346.374 4.288 20 10 EICDMN COc1cccc([C@H](C)N[C@@H](C)c2nc3ccccc3s2)c1O ZINC000846144310 1048831913 /nfs/dbraw/zinc/83/19/13/1048831913.db2.gz KHNOPYPUZNWDST-RYUDHWBXSA-N 0 1 328.437 4.422 20 10 EICDMN CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816589007 1048832904 /nfs/dbraw/zinc/83/29/04/1048832904.db2.gz IPCVONFFEQEXHY-GFCCVEGCSA-N 0 1 325.733 4.348 20 10 EICDMN C[C@@H](O)C[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])c1ccccc1 ZINC000816556945 1048833834 /nfs/dbraw/zinc/83/38/34/1048833834.db2.gz YVELMJFNNCGTBR-OXQOHEQNSA-N 0 1 335.447 4.190 20 10 EICDMN C[C@@H]([NH2+]Cc1ccc2ccccc2c1[O-])c1ccc([S@@](C)=O)cc1 ZINC000816559396 1048835546 /nfs/dbraw/zinc/83/55/46/1048835546.db2.gz JBKCAMOXHUIUIW-JBEBIEQOSA-N 0 1 339.460 4.134 20 10 EICDMN CCN(C)c1ccc([C@H](C)N[C@H](c2ccccc2F)[C@H](C)O)cc1 ZINC000846181499 1048835811 /nfs/dbraw/zinc/83/58/11/1048835811.db2.gz BOINGSSGLGEAGI-AVYPCKFXSA-N 0 1 330.447 4.055 20 10 EICDMN CC[C@H]([NH2+]CCCC1(O)CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817415023 1048966857 /nfs/dbraw/zinc/96/68/57/1048966857.db2.gz RPBYLLSGGIJONL-AWEZNQCLSA-N 0 1 331.378 4.147 20 10 EICDMN CC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])c1ccc(F)cc1F ZINC000179638563 1049708834 /nfs/dbraw/zinc/70/88/34/1049708834.db2.gz SBGFPTWBOZQYMQ-KRWDZBQOSA-N 0 1 337.341 4.253 20 10 EICDMN [O-]c1cc2ccccc2cc1C[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171462858 1049713958 /nfs/dbraw/zinc/71/39/58/1049713958.db2.gz KRPCHVKNKQLTBT-GOSISDBHSA-N 0 1 339.385 4.471 20 10 EICDMN Oc1ccc2ccccc2c1CN1CCO[C@H](c2cccc(F)c2)C1 ZINC000216679807 1049828662 /nfs/dbraw/zinc/82/86/62/1049828662.db2.gz HNHFXQAYOQHLPM-NRFANRHFSA-N 0 1 337.394 4.258 20 10 EICDMN Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])CC2 ZINC001172830962 1050168803 /nfs/dbraw/zinc/16/88/03/1050168803.db2.gz LNJMPPTUERGDHW-KRWDZBQOSA-N 0 1 346.268 4.110 20 10 EICDMN CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC001177729127 1050280037 /nfs/dbraw/zinc/28/00/37/1050280037.db2.gz HWWKABFUOXEZCB-CHWSQXEVSA-N 0 1 326.278 4.459 20 10 EICDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001173216021 1050351229 /nfs/dbraw/zinc/35/12/29/1050351229.db2.gz BLWMDFOUBRYDKF-AWEZNQCLSA-N 0 1 336.391 4.174 20 10 EICDMN Cc1cc(CNCc2cc(C(F)(F)F)n[nH]2)c(C)n1-c1ccccc1 ZINC001179333324 1050678013 /nfs/dbraw/zinc/67/80/13/1050678013.db2.gz UJNGSOYGOVIXMV-UHFFFAOYSA-N 0 1 348.372 4.126 20 10 EICDMN CCN(C)c1ccc(CN[C@@H](C)c2cc(OC)c(OC)cc2F)cc1 ZINC000773813773 1050704234 /nfs/dbraw/zinc/70/42/34/1050704234.db2.gz WBZOAGRXWRLTQX-AWEZNQCLSA-N 0 1 346.446 4.150 20 10 EICDMN Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000775206049 1050859928 /nfs/dbraw/zinc/85/99/28/1050859928.db2.gz UGGCKDUBZPQCIQ-IBGZPJMESA-N 0 1 347.462 4.172 20 10 EICDMN Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000775206050 1050859999 /nfs/dbraw/zinc/85/99/99/1050859999.db2.gz UGGCKDUBZPQCIQ-LJQANCHMSA-N 0 1 347.462 4.172 20 10 EICDMN CC[C@](C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(Cl)cc1[O-] ZINC001180962002 1051120944 /nfs/dbraw/zinc/12/09/44/1051120944.db2.gz IZLMMFCSBSVBPM-IBGZPJMESA-N 0 1 333.859 4.209 20 10 EICDMN CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(Cl)cc1[O-] ZINC001180962002 1051120950 /nfs/dbraw/zinc/12/09/50/1051120950.db2.gz IZLMMFCSBSVBPM-IBGZPJMESA-N 0 1 333.859 4.209 20 10 EICDMN COc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)c(Cl)c1OC ZINC000775365650 1051135395 /nfs/dbraw/zinc/13/53/95/1051135395.db2.gz VRAINTMWBHZJDR-CYBMUJFWSA-N 0 1 348.874 4.274 20 10 EICDMN COc1ccc(O)c([C@@H](C)NCc2ncc(-c3ccccc3)s2)c1 ZINC000775371483 1051151220 /nfs/dbraw/zinc/15/12/20/1051151220.db2.gz PWDHIEXKXLQJMS-CYBMUJFWSA-N 0 1 340.448 4.375 20 10 EICDMN COc1cc(C)cc(CNc2ccc(CN(C)C)c(Cl)c2)c1O ZINC001181337911 1051203750 /nfs/dbraw/zinc/20/37/50/1051203750.db2.gz VDDSAWFTROUVHS-UHFFFAOYSA-N 0 1 334.847 4.036 20 10 EICDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](CC2CC2)c2ccccc2)c1[O-] ZINC000775422898 1051308536 /nfs/dbraw/zinc/30/85/36/1051308536.db2.gz MEKOUKIAUZBHER-IBGZPJMESA-N 0 1 327.399 4.365 20 10 EICDMN Cc1cc(Br)c([O-])c(C[N@@H+](C)CCc2ccccc2C)c1 ZINC001182021551 1051384411 /nfs/dbraw/zinc/38/44/11/1051384411.db2.gz XPIBHIZHNQWXTE-UHFFFAOYSA-N 0 1 348.284 4.446 20 10 EICDMN Cc1cc(O)c(CN2CCN(c3cccc(F)c3)C[C@@H]2C)cc1Cl ZINC001182114568 1051393569 /nfs/dbraw/zinc/39/35/69/1051393569.db2.gz AEFATNAFTPIVOI-AWEZNQCLSA-N 0 1 348.849 4.204 20 10 EICDMN Cc1cc(NS(=O)(=O)c2ccc(Cl)c(C)c2Cl)ccc1O ZINC001191756229 1051539535 /nfs/dbraw/zinc/53/95/35/1051539535.db2.gz TUSANLLNQKSOCL-UHFFFAOYSA-N 0 1 346.235 4.117 20 10 EICDMN CC[C@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1cc(Cl)ccc1[O-] ZINC000775483069 1051551795 /nfs/dbraw/zinc/55/17/95/1051551795.db2.gz JMWJJWKEIVYDOK-GJZGRUSLSA-N 0 1 338.904 4.451 20 10 EICDMN CC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1cc(Cl)ccc1[O-] ZINC000775484339 1051555939 /nfs/dbraw/zinc/55/59/39/1051555939.db2.gz BRZCWLOGGBKXJV-DOTOQJQBSA-N 0 1 340.250 4.473 20 10 EICDMN CC[C@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1cc(Cl)ccc1[O-] ZINC000775488870 1051569510 /nfs/dbraw/zinc/56/95/10/1051569510.db2.gz VVVWHUHNFXIZEV-HOTGVXAUSA-N 0 1 338.904 4.451 20 10 EICDMN CC[C@@H]([NH2+]Cc1ccc(OC)cc1OC)c1cc(Cl)ccc1[O-] ZINC000775490282 1051571650 /nfs/dbraw/zinc/57/16/50/1051571650.db2.gz BAXUGOSLZLRWPN-MRXNPFEDSA-N 0 1 335.831 4.304 20 10 EICDMN CC[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1cc(Cl)ccc1[O-] ZINC000775491158 1051573655 /nfs/dbraw/zinc/57/36/55/1051573655.db2.gz AYWALZYIYVCDMH-KRWDZBQOSA-N 0 1 345.874 4.282 20 10 EICDMN CC[C@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000775525166 1051706998 /nfs/dbraw/zinc/70/69/98/1051706998.db2.gz IYSWSWFRIQUDJI-FUHWJXTLSA-N 0 1 337.822 4.133 20 10 EICDMN CC[C@H]([NH2+]CCSCC(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000775526262 1051711589 /nfs/dbraw/zinc/71/15/89/1051711589.db2.gz PTFVYABSANKUJK-NSHDSACASA-N 0 1 327.799 4.382 20 10 EICDMN CC[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000775526872 1051713517 /nfs/dbraw/zinc/71/35/17/1051713517.db2.gz MQASVCCMXXJDGJ-ZHRRBRCNSA-N 0 1 337.872 4.024 20 10 EICDMN CC[C@@H]([NH2+][C@H](CO)c1sccc1C)c1cc(Cl)ccc1[O-] ZINC000775526847 1051714012 /nfs/dbraw/zinc/71/40/12/1051714012.db2.gz MBRPBSHZOAVYES-ZIAGYGMSSA-N 0 1 325.861 4.190 20 10 EICDMN CC[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000775526868 1051714376 /nfs/dbraw/zinc/71/43/76/1051714376.db2.gz MQASVCCMXXJDGJ-AOMKIAJQSA-N 0 1 337.872 4.024 20 10 EICDMN CCOc1ccc(N2CCN([C@@H](C)c3ccc(F)cc3)CC2)cc1 ZINC001192412402 1051726342 /nfs/dbraw/zinc/72/63/42/1051726342.db2.gz HRNRIBKPBSXPBW-INIZCTEOSA-N 0 1 328.431 4.108 20 10 EICDMN Cc1ccc(O)c(CNCc2ccc(C(F)(F)F)nc2Cl)c1 ZINC001182959177 1051749322 /nfs/dbraw/zinc/74/93/22/1051749322.db2.gz HWFPVYRIENCSJO-UHFFFAOYSA-N 0 1 330.737 4.058 20 10 EICDMN Cc1cc([C@@H]2CC[N@@H+](Cc3cccc(F)c3[O-])C2)c(O)cc1Cl ZINC001183026103 1051774387 /nfs/dbraw/zinc/77/43/87/1051774387.db2.gz WXOHLSIEQLOECC-GFCCVEGCSA-N 0 1 335.806 4.188 20 10 EICDMN C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2[O-])C1 ZINC001237783947 1051900908 /nfs/dbraw/zinc/90/09/08/1051900908.db2.gz MONPPGFSHGGLBP-MRVPVSSYSA-N 0 1 338.167 4.015 20 10 EICDMN CC(C)Cc1ccc([C@H](C)NC(=O)c2cc(O)c(O)c(Cl)c2)cc1 ZINC001193633658 1051959143 /nfs/dbraw/zinc/95/91/43/1051959143.db2.gz DGGNRRUHTVNYAO-LBPRGKRZSA-N 0 1 347.842 4.441 20 10 EICDMN CCN(C)c1ccc(CN2[C@H](C)CO[C@H](c3ccccc3)[C@@H]2C)cc1 ZINC001176532857 1052114828 /nfs/dbraw/zinc/11/48/28/1052114828.db2.gz NPBBFYMPWUTBNM-FGSXEWAUSA-N 0 1 338.495 4.493 20 10 EICDMN CC[C@H](C)[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774818256 1052167100 /nfs/dbraw/zinc/16/71/00/1052167100.db2.gz DCAZGGZCCTXSPD-AWEZNQCLSA-N 0 1 344.411 4.110 20 10 EICDMN CC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])c1 ZINC000185020953 1052371472 /nfs/dbraw/zinc/37/14/72/1052371472.db2.gz HPCBAJKXBYKXDE-AWEZNQCLSA-N 0 1 334.419 4.355 20 10 EICDMN Cc1cccc2nc(C[NH2+][C@@H](C)c3ccc4ccccc4c3[O-])cn21 ZINC000185412507 1052597897 /nfs/dbraw/zinc/59/78/97/1052597897.db2.gz MHLGGBHVYJJTNK-HNNXBMFYSA-N 0 1 331.419 4.352 20 10 EICDMN C[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000185443507 1052605872 /nfs/dbraw/zinc/60/58/72/1052605872.db2.gz WRCHZOWVGVFCCM-OAHLLOKOSA-N 0 1 334.419 4.225 20 10 EICDMN Cc1cc(C)n(-c2cccc(NCc3ccc(F)c(F)c3O)c2)n1 ZINC000864025675 1053162465 /nfs/dbraw/zinc/16/24/65/1053162465.db2.gz OIKRZHYTQFOAKR-UHFFFAOYSA-N 0 1 329.350 4.085 20 10 EICDMN CCCCOc1ccc(OC)cc1NCc1ccc(F)c(F)c1O ZINC000864026652 1053164728 /nfs/dbraw/zinc/16/47/28/1053164728.db2.gz VMHMNGTYZXBTJJ-UHFFFAOYSA-N 0 1 337.366 4.470 20 10 EICDMN C[C@]1(O)CCC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000794665099 1053238071 /nfs/dbraw/zinc/23/80/71/1053238071.db2.gz FMEHSTFNCVPJEI-FQEVSTJZSA-N 0 1 325.408 4.029 20 10 EICDMN C[C@]1(O)CCC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000794665099 1053238103 /nfs/dbraw/zinc/23/81/03/1053238103.db2.gz FMEHSTFNCVPJEI-FQEVSTJZSA-N 0 1 325.408 4.029 20 10 EICDMN C[C@]1(O)CCC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000794665099 1053238119 /nfs/dbraw/zinc/23/81/19/1053238119.db2.gz FMEHSTFNCVPJEI-FQEVSTJZSA-N 0 1 325.408 4.029 20 10 EICDMN Cc1cc(Br)cc([C@H](C)N[C@@H](C)c2cscn2)c1O ZINC000850511374 1053269461 /nfs/dbraw/zinc/26/94/61/1053269461.db2.gz DCCNUXXVHQHKCL-UWVGGRQHSA-N 0 1 341.274 4.331 20 10 EICDMN C[C@@H]([NH2+]CCCOC(C)(C)C)c1cc(Br)ccc1[O-] ZINC000850526261 1053285118 /nfs/dbraw/zinc/28/51/18/1053285118.db2.gz OOGWWJDUFHJGPE-LLVKDONJSA-N 0 1 330.266 4.011 20 10 EICDMN CC(C)[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC000850555219 1053311291 /nfs/dbraw/zinc/31/12/91/1053311291.db2.gz NQPQGBRNFQLZRT-MJXNMMHHSA-N 0 1 333.859 4.454 20 10 EICDMN C[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1ccc2ccccc2c1[O-] ZINC000850565460 1053319412 /nfs/dbraw/zinc/31/94/12/1053319412.db2.gz BXCBEQYYRSRTRY-ZDUSSCGKSA-N 0 1 335.394 4.136 20 10 EICDMN C[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1ccc2ccccc2c1[O-] ZINC000850565458 1053319462 /nfs/dbraw/zinc/31/94/62/1053319462.db2.gz BXCBEQYYRSRTRY-CYBMUJFWSA-N 0 1 335.394 4.136 20 10 EICDMN C[C@@H](NCc1cc(F)ccc1OC(F)F)c1ccc(N(C)C)cc1 ZINC000850570632 1053325364 /nfs/dbraw/zinc/32/53/64/1053325364.db2.gz YGPKKMTXJZAJNU-GFCCVEGCSA-N 0 1 338.373 4.344 20 10 EICDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000775651087 1053381727 /nfs/dbraw/zinc/38/17/27/1053381727.db2.gz XIXVISZAOPVYDZ-INIZCTEOSA-N 0 1 338.234 4.273 20 10 EICDMN [O-]c1c(Cl)cccc1C[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000775651087 1053381741 /nfs/dbraw/zinc/38/17/41/1053381741.db2.gz XIXVISZAOPVYDZ-INIZCTEOSA-N 0 1 338.234 4.273 20 10 EICDMN CC[C@H](N[C@H](c1nccn1C)c1ccccc1)c1ccc(C)cc1O ZINC000794793273 1053387414 /nfs/dbraw/zinc/38/74/14/1053387414.db2.gz NMFOPEVGIXYADL-ICSRJNTNSA-N 0 1 335.451 4.264 20 10 EICDMN Cn1c2ccccc2nc1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000109797467 1053422726 /nfs/dbraw/zinc/42/27/26/1053422726.db2.gz WPTISCXKDPXLLC-UHFFFAOYSA-N 0 1 335.451 4.224 20 10 EICDMN C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@@H](c2ccccc2)O1 ZINC000775661055 1053428689 /nfs/dbraw/zinc/42/86/89/1053428689.db2.gz IASKGRKTAXQQJY-SJCJKPOMSA-N 0 1 335.806 4.147 20 10 EICDMN C[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@@H](c2ccccc2)O1 ZINC000775661055 1053428696 /nfs/dbraw/zinc/42/86/96/1053428696.db2.gz IASKGRKTAXQQJY-SJCJKPOMSA-N 0 1 335.806 4.147 20 10 EICDMN C[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@@H](c2ccccc2)O1 ZINC000775661055 1053428703 /nfs/dbraw/zinc/42/87/03/1053428703.db2.gz IASKGRKTAXQQJY-SJCJKPOMSA-N 0 1 335.806 4.147 20 10 EICDMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000775665173 1053443708 /nfs/dbraw/zinc/44/37/08/1053443708.db2.gz ZQMMMJVXZFRXDK-HZPDHXFCSA-N 0 1 336.907 4.132 20 10 EICDMN CN(C)c1ccc(CN[C@H]2CC(C)(C)Oc3cc(F)ccc32)cc1F ZINC000765285636 1053492921 /nfs/dbraw/zinc/49/29/21/1053492921.db2.gz MAECZIJDUZVAOE-KRWDZBQOSA-N 0 1 346.421 4.423 20 10 EICDMN CCCOc1ncccc1CN[C@@H](C)c1ccc(N(C)CC)cc1 ZINC000765332513 1053507614 /nfs/dbraw/zinc/50/76/14/1053507614.db2.gz QLBIXTZCJSRULF-INIZCTEOSA-N 0 1 327.472 4.177 20 10 EICDMN CCCCOc1ncccc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000765334471 1053507700 /nfs/dbraw/zinc/50/77/00/1053507700.db2.gz YSUURMSAWFBNQV-MRXNPFEDSA-N 0 1 327.472 4.177 20 10 EICDMN C[C@H]([NH2+]Cc1cnccc1C(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000853242479 1053657365 /nfs/dbraw/zinc/65/73/65/1053657365.db2.gz YYGDHLJWNRKWLN-VIFPVBQESA-N 0 1 330.737 4.310 20 10 EICDMN Oc1ccccc1CN(Cc1ccco1)Cc1ccc2c(c1)CCO2 ZINC000111232754 1053664536 /nfs/dbraw/zinc/66/45/36/1053664536.db2.gz XAUTYPNXBFCEAC-UHFFFAOYSA-N 0 1 335.403 4.123 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1sccc1Br ZINC000083552470 1053682152 /nfs/dbraw/zinc/68/21/52/1053682152.db2.gz HGTASLJMHRSREE-UHFFFAOYSA-N 0 1 332.650 4.159 20 10 EICDMN C[C@@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)c1cc(Cl)ccc1[O-] ZINC000866421886 1053726431 /nfs/dbraw/zinc/72/64/31/1053726431.db2.gz DEBGRTYKNXYWDO-CYBMUJFWSA-N 0 1 347.842 4.116 20 10 EICDMN C[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1OC(F)(F)F ZINC000765607888 1053802953 /nfs/dbraw/zinc/80/29/53/1053802953.db2.gz FHAKLBYONIPWBA-LBPRGKRZSA-N 0 1 337.341 4.371 20 10 EICDMN Cc1ccc(OC(F)F)c([C@@H](C)NCc2ccc3c(c2)CCO3)c1 ZINC000765609974 1053804873 /nfs/dbraw/zinc/80/48/73/1053804873.db2.gz SHLZYIXZDZYWSS-CYBMUJFWSA-N 0 1 333.378 4.382 20 10 EICDMN CCN(C)c1ccc([C@H](C)NCc2c(C)cc(C)nc2OC)cc1 ZINC000765667314 1053834799 /nfs/dbraw/zinc/83/47/99/1053834799.db2.gz XFJOOGMMTXBISX-INIZCTEOSA-N 0 1 327.472 4.014 20 10 EICDMN C[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc2ccccc2c1[O-] ZINC000186165762 1054064586 /nfs/dbraw/zinc/06/45/86/1054064586.db2.gz VDRDBANWQXVJMQ-QRQCRPRQSA-N 0 1 333.431 4.030 20 10 EICDMN Cc1nccnc1[C@@H](C)N[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000872132125 1054407373 /nfs/dbraw/zinc/40/73/73/1054407373.db2.gz BZZAUGPGUIMIOO-GDBMZVCRSA-N 0 1 342.462 4.326 20 10 EICDMN CN(C)c1cc(F)c(CN[C@@H]2CCSc3ccccc32)cc1F ZINC000858088153 1054412848 /nfs/dbraw/zinc/41/28/48/1054412848.db2.gz RXUARIWJGPBBQB-MRXNPFEDSA-N 0 1 334.435 4.358 20 10 EICDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000858128720 1054420022 /nfs/dbraw/zinc/42/00/22/1054420022.db2.gz ZPRIPADCJKCQCA-OAHLLOKOSA-N 0 1 336.204 4.071 20 10 EICDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872261572 1054427824 /nfs/dbraw/zinc/42/78/24/1054427824.db2.gz HVQIMAFVYPQTET-OAHLLOKOSA-N 0 1 327.827 4.108 20 10 EICDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000776013844 1054443258 /nfs/dbraw/zinc/44/32/58/1054443258.db2.gz JEIYHHNXNUPCRC-LJQANCHMSA-N 0 1 329.827 4.067 20 10 EICDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000776013844 1054443266 /nfs/dbraw/zinc/44/32/66/1054443266.db2.gz JEIYHHNXNUPCRC-LJQANCHMSA-N 0 1 329.827 4.067 20 10 EICDMN CC[C@H](NCc1cc(C)n(-c2cccc(C)c2)c1C)c1nccn1C ZINC000858542218 1054512364 /nfs/dbraw/zinc/51/23/64/1054512364.db2.gz JKOZCOVFEQHVFS-FQEVSTJZSA-N 0 1 336.483 4.377 20 10 EICDMN Oc1ccc(Br)cc1CNCc1c(F)cccc1Cl ZINC000776117419 1054553814 /nfs/dbraw/zinc/55/38/14/1054553814.db2.gz PZXDNUFATGLMFP-UHFFFAOYSA-N 0 1 344.611 4.237 20 10 EICDMN Cc1csc([C@@H](C)NCc2cc(Br)cc(C)c2O)n1 ZINC000776163452 1054776706 /nfs/dbraw/zinc/77/67/06/1054776706.db2.gz RFXOXBYEXFGSLD-SNVBAGLBSA-N 0 1 341.274 4.079 20 10 EICDMN C[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000876656247 1054945157 /nfs/dbraw/zinc/94/51/57/1054945157.db2.gz ISNSZJDULUIDLU-UZLBHIALSA-N 0 1 347.405 4.270 20 10 EICDMN Cc1nc(C)c(CNCc2ccc(N(C)C3CCCCC3)cc2)o1 ZINC000862274072 1055044866 /nfs/dbraw/zinc/04/48/66/1055044866.db2.gz DHTOHZZZCVLYDB-UHFFFAOYSA-N 0 1 327.472 4.350 20 10 EICDMN CCOc1cc(Cl)ccc1C[NH2+]Cc1c([O-])cccc1Cl ZINC000776253555 1055061301 /nfs/dbraw/zinc/06/13/01/1055061301.db2.gz SEDIZZRZZHBEOM-UHFFFAOYSA-N 0 1 326.223 4.388 20 10 EICDMN COc1ccc(O)c(CNC(C)(C)c2nc3cc(Cl)ccc3o2)c1 ZINC000877669213 1055104190 /nfs/dbraw/zinc/10/41/90/1055104190.db2.gz YIUSFSRQIGHBJM-UHFFFAOYSA-N 0 1 346.814 4.220 20 10 EICDMN C[N@@H+](CCC=C1c2ccccc2CCc2ccccc21)Cc1cc[nH]n1 ZINC001137130820 1055277402 /nfs/dbraw/zinc/27/74/02/1055277402.db2.gz KIPSSNYRYZVKRO-UHFFFAOYSA-N 0 1 343.474 4.462 20 10 EICDMN CN(CCC=C1c2ccccc2CCc2ccccc21)Cc1cc[nH]n1 ZINC001137130820 1055277423 /nfs/dbraw/zinc/27/74/23/1055277423.db2.gz KIPSSNYRYZVKRO-UHFFFAOYSA-N 0 1 343.474 4.462 20 10 EICDMN CO[C@H](C[NH2+]Cc1c([O-])cccc1Cl)c1ccc(Cl)cc1 ZINC000742377655 1058601419 /nfs/dbraw/zinc/60/14/19/1058601419.db2.gz PFSSARRKEFNKCY-MRXNPFEDSA-N 0 1 326.223 4.176 20 10 EICDMN CC[N@H+](Cc1cccc(F)c1)Cc1cc(Br)ccc1[O-] ZINC000743870803 1059188409 /nfs/dbraw/zinc/18/84/09/1059188409.db2.gz BOMQZXFSOXYUGB-UHFFFAOYSA-N 0 1 338.220 4.316 20 10 EICDMN CC[N@@H+](Cc1cccc(F)c1)Cc1cc(Br)ccc1[O-] ZINC000743870803 1059188438 /nfs/dbraw/zinc/18/84/38/1059188438.db2.gz BOMQZXFSOXYUGB-UHFFFAOYSA-N 0 1 338.220 4.316 20 10 EICDMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Oc2ccccc2)C1 ZINC000766320867 1059571515 /nfs/dbraw/zinc/57/15/15/1059571515.db2.gz RXVJFPUXGJSJGR-UHFFFAOYSA-N 0 1 348.446 4.013 20 10 EICDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Oc2ccccc2)C1 ZINC000766320867 1059571534 /nfs/dbraw/zinc/57/15/34/1059571534.db2.gz RXVJFPUXGJSJGR-UHFFFAOYSA-N 0 1 348.446 4.013 20 10 EICDMN COc1ccccc1[C@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691428184 1060948148 /nfs/dbraw/zinc/94/81/48/1060948148.db2.gz KNVNSDAVUANDEU-NSHDSACASA-N 0 1 336.229 4.014 20 10 EICDMN CCCOc1ccc(CNCc2ncoc2-c2ccccc2)c(O)c1 ZINC000360038640 1032232748 /nfs/dbraw/zinc/23/27/48/1032232748.db2.gz VFVWTYVMCAWTDY-UHFFFAOYSA-N 0 1 338.407 4.126 20 10 EICDMN COc1ccc(O)c(CNC(C)(C)c2nc3ccccc3s2)c1 ZINC000529642222 1032502450 /nfs/dbraw/zinc/50/24/50/1032502450.db2.gz RWZWJIIHUUBUBV-UHFFFAOYSA-N 0 1 328.437 4.035 20 10 EICDMN C[C@H]([NH2+][C@H](CN(C)C)c1ccc(F)cc1)c1ccc(Cl)cc1[O-] ZINC000841759545 1032550244 /nfs/dbraw/zinc/55/02/44/1032550244.db2.gz ZOFVOXLRSAVAED-YVEFUNNKSA-N 0 1 336.838 4.138 20 10 EICDMN [O-]c1cccc(Br)c1C[NH+]1CCC2(CC[C@@H](F)C2)CC1 ZINC001140102968 1020656502 /nfs/dbraw/zinc/65/65/02/1020656502.db2.gz BJPCSZFXQQKJAI-GFCCVEGCSA-N 0 1 342.252 4.259 20 10 EICDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)C[C@H](C)c2ccccc2)c1[O-] ZINC001167313589 1021054838 /nfs/dbraw/zinc/05/48/38/1021054838.db2.gz HHLBBMWIOHEKIE-ZDUSSCGKSA-N 0 1 331.843 4.484 20 10 EICDMN C[C@@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000310651677 1021415192 /nfs/dbraw/zinc/41/51/92/1021415192.db2.gz VLJWTRISPUJYPV-UONOGXRCSA-N 0 1 344.455 4.109 20 10 EICDMN CN1CCN(c2ccc(CNc3cccc(C4CCC4)c3)cc2)CC1 ZINC001167436991 1022635619 /nfs/dbraw/zinc/63/56/19/1022635619.db2.gz KEDLWJCKPBBJPU-UHFFFAOYSA-N 0 1 335.495 4.318 20 10 EICDMN Cc1cn2c(n1)[C@H](C[NH2+][C@H](C)c1ccc3ccccc3c1[O-])CCC2 ZINC000363867436 1022872020 /nfs/dbraw/zinc/87/20/20/1022872020.db2.gz QJFJFFHTNVFXQF-WBVHZDCISA-N 0 1 335.451 4.279 20 10 EICDMN CC[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000310942363 1023481940 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C[C@@H](N[C@@H](C)c1ccc(N2CCCCCC2)cc1)c1ccn(C)n1 ZINC000840815241 1029429753 /nfs/dbraw/zinc/42/97/53/1029429753.db2.gz CNBBUTCHSPWFAT-DLBZAZTESA-N 0 1 326.488 4.212 20 10 EICDMN C[C@H](N[C@@H](C)c1ccc(N2CCCCCC2)cc1)c1ccn(C)n1 ZINC000840815243 1029430697 /nfs/dbraw/zinc/43/06/97/1029430697.db2.gz CNBBUTCHSPWFAT-IRXDYDNUSA-N 0 1 326.488 4.212 20 10 EICDMN C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000185134165 1030116118 /nfs/dbraw/zinc/11/61/18/1030116118.db2.gz AAAJWXBIMZIVJV-GFCCVEGCSA-N 0 1 345.805 4.221 20 10 EICDMN CC[C@H](N[C@H]1CC[NH2+]C12CCC2)c1cc(Cl)cc(Cl)c1[O-] ZINC000530213572 1030223391 /nfs/dbraw/zinc/22/33/91/1030223391.db2.gz ALUWRZMGUIEBHD-KBPBESRZSA-N 0 1 329.271 4.024 20 10 EICDMN CC[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000530213519 1030224451 /nfs/dbraw/zinc/22/44/51/1030224451.db2.gz ADDYXVCPOLDJOZ-QWHCGFSZSA-N 0 1 329.271 4.024 20 10 EICDMN C[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])NC(=O)OC(C)(C)C ZINC000192688266 1030712945 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Cc1cc([O-])c(C[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)cc1Cl ZINC000825526388 1048109613 /nfs/dbraw/zinc/10/96/13/1048109613.db2.gz RASZUASHRDCATB-QFBILLFUSA-N 0 1 331.843 4.364 20 10 EICDMN CCOc1c(F)cc(CN(C)Cc2ccc(N(C)C)cc2)cc1F ZINC001144032560 1048363437 /nfs/dbraw/zinc/36/34/37/1048363437.db2.gz PBWOCRGJWGFNOY-UHFFFAOYSA-N 0 1 334.410 4.062 20 10 EICDMN CCC[N@H+](CCc1ccccn1)Cc1cc(Br)ccc1[O-] ZINC000809734543 1048484838 /nfs/dbraw/zinc/48/48/38/1048484838.db2.gz JFKJOHIMSFQAPT-UHFFFAOYSA-N 0 1 349.272 4.004 20 10 EICDMN CCC[N@@H+](CCc1ccccn1)Cc1cc(Br)ccc1[O-] ZINC000809734543 1048484852 /nfs/dbraw/zinc/48/48/52/1048484852.db2.gz JFKJOHIMSFQAPT-UHFFFAOYSA-N 0 1 349.272 4.004 20 10 EICDMN CC(C)OC(=O)C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000809763919 1048523472 /nfs/dbraw/zinc/52/34/72/1048523472.db2.gz SNWNPSGMFFNSHB-QGZVFWFLSA-N 0 1 347.842 4.218 20 10 EICDMN Oc1ccccc1[C@H](CCc1ccccc1)NCc1ncccc1F ZINC000815598306 1048529265 /nfs/dbraw/zinc/52/92/65/1048529265.db2.gz 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CC[C@H]([NH2+][C@H](C)C[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810224653 1048692558 /nfs/dbraw/zinc/69/25/58/1048692558.db2.gz XARGMUYPEYPEMU-JMSVASOKSA-N 0 1 331.378 4.267 20 10 EICDMN CC[C@@H]([NH2+]CCCc1c[nH]nc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810210599 1048707862 /nfs/dbraw/zinc/70/78/62/1048707862.db2.gz ZMGGBNWZSBUPNC-OAHLLOKOSA-N 0 1 341.377 4.116 20 10 EICDMN CC[C@H]([NH2+]CCCc1c[nH]nc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810210598 1048709218 /nfs/dbraw/zinc/70/92/18/1048709218.db2.gz ZMGGBNWZSBUPNC-HNNXBMFYSA-N 0 1 341.377 4.116 20 10 EICDMN CC[C@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810259680 1048711678 /nfs/dbraw/zinc/71/16/78/1048711678.db2.gz PEZPAVXYYHDSEC-GJZGRUSLSA-N 0 1 331.378 4.003 20 10 EICDMN CC[C@H](N[C@H](C)c1nnc(C)s1)c1ccc(C(F)(F)F)cc1O ZINC000810236747 1048719283 /nfs/dbraw/zinc/71/92/83/1048719283.db2.gz MNACJADWUKHNNC-PELKAZGASA-N 0 1 345.390 4.373 20 10 EICDMN CC[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])[C@@H](C)c1cccc(OC)c1 ZINC000748051428 1048724963 /nfs/dbraw/zinc/72/49/63/1048724963.db2.gz WAHCGASLHDVGPD-ZDUSSCGKSA-N 0 1 345.414 4.326 20 10 EICDMN CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])[C@@H](C)c1cccc(OC)c1 ZINC000748051428 1048724975 /nfs/dbraw/zinc/72/49/75/1048724975.db2.gz WAHCGASLHDVGPD-ZDUSSCGKSA-N 0 1 345.414 4.326 20 10 EICDMN [O-]c1c(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)ccc2ccccc21 ZINC000846015429 1048785027 /nfs/dbraw/zinc/78/50/27/1048785027.db2.gz MZHBUCQOUPPCEE-UHFFFAOYSA-N 0 1 339.332 4.412 20 10 EICDMN CC(=O)Nc1cccc2c1CC[N@H+](Cc1ccc3ccccc3c1[O-])C2 ZINC000816494420 1048814677 /nfs/dbraw/zinc/81/46/77/1048814677.db2.gz KQJKKRJIPOJYDA-UHFFFAOYSA-N 0 1 346.430 4.062 20 10 EICDMN CC(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc3ccccc3c1[O-])C2 ZINC000816494420 1048814681 /nfs/dbraw/zinc/81/46/81/1048814681.db2.gz KQJKKRJIPOJYDA-UHFFFAOYSA-N 0 1 346.430 4.062 20 10 EICDMN CCC(=O)Nc1cccc(C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816535877 1048825609 /nfs/dbraw/zinc/82/56/09/1048825609.db2.gz CZYDWXTWZAWTTQ-UHFFFAOYSA-N 0 1 334.419 4.184 20 10 EICDMN [O-]c1c(C[NH2+]Cc2cccc(Cn3cccn3)c2)ccc2ccccc21 ZINC000816537924 1048827540 /nfs/dbraw/zinc/82/75/40/1048827540.db2.gz YMFCMAJDANIQBN-UHFFFAOYSA-N 0 1 343.430 4.080 20 10 EICDMN [O-]c1c(C[NH2+]C[C@@H](O)c2c(F)cccc2Cl)ccc2ccccc12 ZINC000816553396 1048832304 /nfs/dbraw/zinc/83/23/04/1048832304.db2.gz UHHBOSDRJVGSMB-QGZVFWFLSA-N 0 1 345.801 4.161 20 10 EICDMN C[C@@H](C[C@H](O)c1cccs1)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816559246 1048836098 /nfs/dbraw/zinc/83/60/98/1048836098.db2.gz COZCXWKBINWRNK-GUYCJALGSA-N 0 1 327.449 4.209 20 10 EICDMN CC[C@H](N[C@@H](c1ccccc1F)[C@@H](C)O)c1ccc(N(C)C)cc1 ZINC000846185083 1048836676 /nfs/dbraw/zinc/83/66/76/1048836676.db2.gz YMKQLMBMMOKZGL-VOBQZIQPSA-N 0 1 330.447 4.055 20 10 EICDMN [O-]c1c(C[NH2+]C2CCC(O)(c3ccccc3)CC2)ccc2ccccc21 ZINC000816569126 1048836956 /nfs/dbraw/zinc/83/69/56/1048836956.db2.gz AHUDDMYLXLMSCE-UHFFFAOYSA-N 0 1 347.458 4.465 20 10 EICDMN COCc1ccnc(N[C@H](C)c2ccc(Cl)c(Cl)c2O)c1 ZINC000846213334 1048841105 /nfs/dbraw/zinc/84/11/05/1048841105.db2.gz REZWGBRWMUGODW-SECBINFHSA-N 0 1 327.211 4.414 20 10 EICDMN COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816601138 1048841725 /nfs/dbraw/zinc/84/17/25/1048841725.db2.gz SQCIIHDGHLAOFC-IBGZPJMESA-N 0 1 337.394 4.470 20 10 EICDMN [O-]c1c(C[NH+]2CCC(CCCn3ccnc3)CC2)ccc2ccccc21 ZINC000816611394 1048843295 /nfs/dbraw/zinc/84/32/95/1048843295.db2.gz OTJPFDOJJDJQQB-UHFFFAOYSA-N 0 1 349.478 4.434 20 10 EICDMN Oc1c(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)ccc2ccccc21 ZINC000816610915 1048843763 /nfs/dbraw/zinc/84/37/63/1048843763.db2.gz CGYWLFYXHXZJJJ-SJORKVTESA-N 0 1 325.452 4.184 20 10 EICDMN [O-]c1c(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)ccc2ccccc21 ZINC000816610915 1048843770 /nfs/dbraw/zinc/84/37/70/1048843770.db2.gz CGYWLFYXHXZJJJ-SJORKVTESA-N 0 1 325.452 4.184 20 10 EICDMN [O-]c1c(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)ccc2ccccc21 ZINC000816610915 1048843773 /nfs/dbraw/zinc/84/37/73/1048843773.db2.gz CGYWLFYXHXZJJJ-SJORKVTESA-N 0 1 325.452 4.184 20 10 EICDMN C[C@H](NCc1ccc(N2CCSCC2)cc1)c1ccncc1Cl ZINC000817575530 1049007382 /nfs/dbraw/zinc/00/73/82/1049007382.db2.gz ICGMWXYFWMPMDC-AWEZNQCLSA-N 0 1 347.915 4.139 20 10 EICDMN C[C@@H]([NH2+]C[C@H]1NCCc2ccccc21)c1ccc2ccccc2c1[O-] ZINC000817975855 1049075122 /nfs/dbraw/zinc/07/51/22/1049075122.db2.gz YRQUFUREPFISED-QVKFZJNVSA-N 0 1 332.447 4.083 20 10 EICDMN C[C@@H](NCc1cccc(OC(C)(C)C)n1)c1ccc(N(C)C)cc1 ZINC000773133101 1049596706 /nfs/dbraw/zinc/59/67/06/1049596706.db2.gz QEUAEBAWGIRCQG-OAHLLOKOSA-N 0 1 327.472 4.176 20 10 EICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1(C(F)F)CCCC1 ZINC000813683735 1049808932 /nfs/dbraw/zinc/80/89/32/1049808932.db2.gz BCHRAYVLTGMMHL-UHFFFAOYSA-N 0 1 338.181 4.141 20 10 EICDMN C[C@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)c1ccc(N2CCOCC2)cc1 ZINC000068478424 1049856410 /nfs/dbraw/zinc/85/64/10/1049856410.db2.gz FKPRAFQBOTWFPI-TWOQFEAHSA-N 0 1 340.467 4.090 20 10 EICDMN CN(c1ccc(CNCc2ccncc2F)cc1)C1CCCCC1 ZINC000823737442 1049871638 /nfs/dbraw/zinc/87/16/38/1049871638.db2.gz YMZICRRNCLAMQF-UHFFFAOYSA-N 0 1 327.447 4.279 20 10 EICDMN Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])CC2 ZINC001172833038 1050169436 /nfs/dbraw/zinc/16/94/36/1050169436.db2.gz VMAYKOPSFFAXQI-KRWDZBQOSA-N 0 1 346.268 4.110 20 10 EICDMN CCOc1cccc([C@H](C)NCc2cc(F)c(N(C)C)cc2F)c1 ZINC001177553940 1050240890 /nfs/dbraw/zinc/24/08/90/1050240890.db2.gz GQVTXBGBERDJEO-ZDUSSCGKSA-N 0 1 334.410 4.280 20 10 EICDMN CC[C@H](Cc1ccccc1)[NH2+]Cc1c([O-])cccc1Br ZINC001177624786 1050268565 /nfs/dbraw/zinc/26/85/65/1050268565.db2.gz SYAGBYKYVHLAIQ-CQSZACIVSA-N 0 1 334.257 4.266 20 10 EICDMN CC(C)[C@H]1CCC[C@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC001177729130 1050280786 /nfs/dbraw/zinc/28/07/86/1050280786.db2.gz HWWKABFUOXEZCB-STQMWFEESA-N 0 1 326.278 4.459 20 10 EICDMN c1cc(-c2ccccc2)oc1CNCc1ccc(N2CCOCC2)cc1 ZINC000069783639 1050346433 /nfs/dbraw/zinc/34/64/33/1050346433.db2.gz XYDZKKNSRIDQOA-UHFFFAOYSA-N 0 1 348.446 4.073 20 10 EICDMN COc1ccccc1OC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC001203664151 1050558723 /nfs/dbraw/zinc/55/87/23/1050558723.db2.gz OQVRCUPSFVLXLF-UHFFFAOYSA-N 0 1 347.842 4.098 20 10 EICDMN COc1ccc(O)c([C@@H](C)NCc2coc(-c3ccc(F)cc3)n2)c1 ZINC000182363348 1050628239 /nfs/dbraw/zinc/62/82/39/1050628239.db2.gz UUKPQJNRGJRSGA-GFCCVEGCSA-N 0 1 342.370 4.046 20 10 EICDMN Cc1[nH]ncc1C(=O)Nc1ccc(C=Cc2ccc(N(C)C)cc2)cc1 ZINC001188059856 1050687187 /nfs/dbraw/zinc/68/71/87/1050687187.db2.gz VZNUWADETCPTHU-SNAWJCMRSA-N 0 1 346.434 4.207 20 10 EICDMN CC[N@H+](Cc1ccccc1C)Cc1c([O-])cccc1Br ZINC001179909061 1050832334 /nfs/dbraw/zinc/83/23/34/1050832334.db2.gz BTPBNJYVYNCUTQ-UHFFFAOYSA-N 0 1 334.257 4.485 20 10 EICDMN CC[N@@H+](Cc1ccccc1C)Cc1c([O-])cccc1Br ZINC001179909061 1050832337 /nfs/dbraw/zinc/83/23/37/1050832337.db2.gz BTPBNJYVYNCUTQ-UHFFFAOYSA-N 0 1 334.257 4.485 20 10 EICDMN CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc(Cl)c(C)cc1[O-] ZINC001180051543 1050867003 /nfs/dbraw/zinc/86/70/03/1050867003.db2.gz HTZGYCQXSXFYLV-QGZVFWFLSA-N 0 1 333.859 4.127 20 10 EICDMN CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(Cl)c(C)cc1[O-] ZINC001180051543 1050867006 /nfs/dbraw/zinc/86/70/06/1050867006.db2.gz HTZGYCQXSXFYLV-QGZVFWFLSA-N 0 1 333.859 4.127 20 10 EICDMN Cc1cc(N(C)C)ccc1CN1CCc2c(F)cc(F)cc2[C@H]1C ZINC001180112352 1050887498 /nfs/dbraw/zinc/88/74/98/1050887498.db2.gz IJHSYHBDGZFTEV-CQSZACIVSA-N 0 1 330.422 4.459 20 10 EICDMN CC[C@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CCS1 ZINC001180198672 1050927720 /nfs/dbraw/zinc/92/77/20/1050927720.db2.gz HCVAQZIHFUGFRS-AWEZNQCLSA-N 0 1 332.435 4.099 20 10 EICDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC001180379348 1050975937 /nfs/dbraw/zinc/97/59/37/1050975937.db2.gz ZCGHBUFWAOYVNS-INIZCTEOSA-N 0 1 337.847 4.475 20 10 EICDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](CC2CC2)c2ccccc2)c1[O-] ZINC000775422900 1051307535 /nfs/dbraw/zinc/30/75/35/1051307535.db2.gz MEKOUKIAUZBHER-LJQANCHMSA-N 0 1 327.399 4.365 20 10 EICDMN CCc1ccc(C(C)(C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])cc1 ZINC000775463801 1051477324 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CC[C@H]([NH2+]CCc1ccc(NC(C)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000775499234 1051629007 /nfs/dbraw/zinc/62/90/07/1051629007.db2.gz PWMYZQMRFQKCCY-SFHVURJKSA-N 0 1 346.858 4.287 20 10 EICDMN CC[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775551016 1051819617 /nfs/dbraw/zinc/81/96/17/1051819617.db2.gz GDCFYQRLYBFBOR-WMZOPIPTSA-N 0 1 333.859 4.080 20 10 EICDMN [O-]c1cc(Cl)ccc1C[NH2+]CCc1sccc1Br ZINC001183527283 1051853841 /nfs/dbraw/zinc/85/38/41/1051853841.db2.gz UAUIPFCAFBOBPA-UHFFFAOYSA-N 0 1 346.677 4.202 20 10 EICDMN CCN(CC)c1ccc(NC(=O)c2cc(O)c(O)c(Cl)c2)c(C)c1 ZINC001193625110 1051955855 /nfs/dbraw/zinc/95/58/55/1051955855.db2.gz LVPFAQJBGOWCIU-UHFFFAOYSA-N 0 1 348.830 4.158 20 10 EICDMN CCCC[N@H+](Cc1ccccc1[O-])C[Si](C)(C)c1ccccc1 ZINC001193839497 1051995930 /nfs/dbraw/zinc/99/59/30/1051995930.db2.gz SQTZMUAHEBGFBZ-UHFFFAOYSA-N 0 1 327.544 4.149 20 10 EICDMN CCCC[N@@H+](Cc1ccccc1[O-])C[Si](C)(C)c1ccccc1 ZINC001193839497 1051995942 /nfs/dbraw/zinc/99/59/42/1051995942.db2.gz 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[O-]c1c(F)cc(Cl)cc1C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000775737551 1053736329 /nfs/dbraw/zinc/73/63/29/1053736329.db2.gz PNDAVYCHIIPLHF-KRWDZBQOSA-N 0 1 349.833 4.018 20 10 EICDMN C[C@@H]([NH2+]C[C@H]1CCC12CCOCC2)c1ccc2ccccc2c1[O-] ZINC000866530232 1053770835 /nfs/dbraw/zinc/77/08/35/1053770835.db2.gz ZGOJBYYTMCVXOD-NVXWUHKLSA-N 0 1 325.452 4.403 20 10 EICDMN CC[C@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(C(F)(F)F)cc1[O-] ZINC000866633132 1053811501 /nfs/dbraw/zinc/81/15/01/1053811501.db2.gz FZHBPEXRGGBCQH-UONOGXRCSA-N 0 1 339.361 4.183 20 10 EICDMN COc1cc2c(cc1F)nccc2NCc1ccc(N(C)C)cc1 ZINC000795067876 1053979815 /nfs/dbraw/zinc/97/98/15/1053979815.db2.gz MVBWWBOCECOZHF-UHFFFAOYSA-N 0 1 325.387 4.061 20 10 EICDMN C[C@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc2ccccc2c1[O-] ZINC000186165746 1054063294 /nfs/dbraw/zinc/06/32/94/1054063294.db2.gz VDRDBANWQXVJMQ-NYHFZMIOSA-N 0 1 333.431 4.030 20 10 EICDMN C[C@@H](NCc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000775835686 1054118530 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[O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000776014379 1054439927 /nfs/dbraw/zinc/43/99/27/1054439927.db2.gz PGLMBFNOZPNFOV-LJQANCHMSA-N 0 1 329.827 4.067 20 10 EICDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000776014379 1054439936 /nfs/dbraw/zinc/43/99/36/1054439936.db2.gz PGLMBFNOZPNFOV-LJQANCHMSA-N 0 1 329.827 4.067 20 10 EICDMN CN(C)c1ccc(CNC(C)(C)c2nc3ccccc3s2)cc1 ZINC000858217460 1054441287 /nfs/dbraw/zinc/44/12/87/1054441287.db2.gz WMDJTTNHMNYPCL-UHFFFAOYSA-N 0 1 325.481 4.387 20 10 EICDMN [O-]c1cccc(Br)c1C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000858237815 1054443236 /nfs/dbraw/zinc/44/32/36/1054443236.db2.gz DKWGHDHQAWOWAU-QGZVFWFLSA-N 0 1 347.256 4.181 20 10 EICDMN Cc1ccc(CNCc2ccc3c(c2)CCCO3)c(OC(C)C)c1 ZINC001201017780 1054608941 /nfs/dbraw/zinc/60/89/41/1054608941.db2.gz UHSKQXQFCMVSKC-UHFFFAOYSA-N 0 1 325.452 4.397 20 10 EICDMN COc1cccc(C(C)(C)C[NH2+]Cc2c([O-])cc(C)cc2Cl)c1 ZINC001201616891 1054865450 /nfs/dbraw/zinc/86/54/50/1054865450.db2.gz 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CC[C@H]([NH2+][C@H]1CC[C@H](SC)C1)c1cc(Br)ccc1[O-] ZINC000300419584 1020198158 /nfs/dbraw/zinc/19/81/58/1020198158.db2.gz JCFHDMDBLLZDCD-OBJOEFQTSA-N 0 1 344.318 4.480 20 10 EICDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccccc1Br ZINC000042419181 1020362836 /nfs/dbraw/zinc/36/28/36/1020362836.db2.gz GBVRLYYIWWBPSG-UHFFFAOYSA-N 0 1 326.621 4.098 20 10 EICDMN CN1CCCc2cc(CNCc3ccccc3Br)ccc21 ZINC000050266795 1022130496 /nfs/dbraw/zinc/13/04/96/1022130496.db2.gz QIOOEIPTKFLTKN-UHFFFAOYSA-N 0 1 345.284 4.121 20 10 EICDMN C[C@H](NC(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1nnc[nH]1 ZINC000588383343 1022263464 /nfs/dbraw/zinc/26/34/64/1022263464.db2.gz ZMYYKFJEGXSMFE-LBPRGKRZSA-N 0 1 335.371 4.103 20 10 EICDMN Oc1ccc(F)cc1CNCc1nc(-c2ccccc2F)cs1 ZINC000378130637 1022408941 /nfs/dbraw/zinc/40/89/41/1022408941.db2.gz UGYYYSXVKLUILT-UHFFFAOYSA-N 0 1 332.375 4.084 20 10 EICDMN CC(=O)c1cc(F)cc(CNC2(c3ccc(F)cc3F)CCC2)c1O ZINC000179994336 1022412822 /nfs/dbraw/zinc/41/28/22/1022412822.db2.gz DPVOHNLBVQUGAW-UHFFFAOYSA-N 0 1 349.352 4.181 20 10 EICDMN CC(=O)c1cc(F)cc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)c1[O-] ZINC000179994336 1022412835 /nfs/dbraw/zinc/41/28/35/1022412835.db2.gz DPVOHNLBVQUGAW-UHFFFAOYSA-N 0 1 349.352 4.181 20 10 EICDMN CCn1ccc2cc(NCc3ccc(N4CCN(C)CC4)cc3)ccc21 ZINC001167436846 1022613812 /nfs/dbraw/zinc/61/38/12/1022613812.db2.gz CHOMRTLLPHUGAD-UHFFFAOYSA-N 0 1 348.494 4.025 20 10 EICDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2cc3ccccc3o2)c1[O-] ZINC000182636102 1022820428 /nfs/dbraw/zinc/82/04/28/1022820428.db2.gz AGUIIFQVZKPVGG-NSHDSACASA-N 0 1 327.355 4.331 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)c1[O-] ZINC001167707644 1022990720 /nfs/dbraw/zinc/99/07/20/1022990720.db2.gz AVLODEJCLGSDIL-FQEVSTJZSA-N 0 1 339.410 4.386 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)c1[O-] ZINC001167707644 1022990729 /nfs/dbraw/zinc/99/07/29/1022990729.db2.gz AVLODEJCLGSDIL-FQEVSTJZSA-N 0 1 339.410 4.386 20 10 EICDMN [O-]c1cccc(Br)c1C[NH2+]CC(C1CCC1)C1CCC1 ZINC000706881112 1023009876 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C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)c1cccs1 ZINC000807835566 1047520391 /nfs/dbraw/zinc/52/03/91/1047520391.db2.gz HNQSTDPDTFBUCC-MRVPVSSYSA-N 0 1 330.236 4.180 20 10 EICDMN CC(C)c1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000807836729 1047521429 /nfs/dbraw/zinc/52/14/29/1047521429.db2.gz MKBGMYLFMNXHHA-UHFFFAOYSA-N 0 1 339.222 4.147 20 10 EICDMN CCCCSCCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837789 1047522960 /nfs/dbraw/zinc/52/29/60/1047522960.db2.gz DBSKFLSDBGWGFK-UHFFFAOYSA-N 0 1 336.284 4.239 20 10 EICDMN C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)c(F)cc1[O-] ZINC001142527132 1047524623 /nfs/dbraw/zinc/52/46/23/1047524623.db2.gz LVBYUBMDSDZFQI-UHFFFAOYSA-N 0 1 331.284 4.321 20 10 EICDMN CC1(C)C[N@H+](Cc2c([O-])ccc3ccncc32)CC[C@H]1C(F)(F)F ZINC000790460110 1047594056 /nfs/dbraw/zinc/59/40/56/1047594056.db2.gz KZLIMZVJYBBWQY-MRXNPFEDSA-N 0 1 338.373 4.351 20 10 EICDMN CC1(C)C[N@@H+](Cc2c([O-])ccc3ccncc32)CC[C@H]1C(F)(F)F ZINC000790460110 1047594064 /nfs/dbraw/zinc/59/40/64/1047594064.db2.gz KZLIMZVJYBBWQY-MRXNPFEDSA-N 0 1 338.373 4.351 20 10 EICDMN C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(Br)cc2[O-])o1 ZINC000825125054 1048040251 /nfs/dbraw/zinc/04/02/51/1048040251.db2.gz FEGGBCGUAFVRSV-HZMBPMFUSA-N 0 1 336.229 4.161 20 10 EICDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000825144918 1048042750 /nfs/dbraw/zinc/04/27/50/1048042750.db2.gz UASUXQLINDVDMJ-OAHLLOKOSA-N 0 1 336.204 4.071 20 10 EICDMN COC(=O)CC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])c1ccccc1 ZINC000825214940 1048051533 /nfs/dbraw/zinc/05/15/33/1048051533.db2.gz NRDROYICIMJTBN-KRWDZBQOSA-N 0 1 347.842 4.138 20 10 EICDMN CCc1nc([C@H](C)NCc2ccc(Br)cc2O)cs1 ZINC000825291198 1048063691 /nfs/dbraw/zinc/06/36/91/1048063691.db2.gz GNUUSPOYECAKOW-VIFPVBQESA-N 0 1 341.274 4.024 20 10 EICDMN Cc1cc(Cl)cc([C@H](C)N[C@@H](C)c2c(F)cncc2F)c1O ZINC000808719995 1048068822 /nfs/dbraw/zinc/06/88/22/1048068822.db2.gz ZNQYAZSAMAHIDA-UWVGGRQHSA-N 0 1 326.774 4.439 20 10 EICDMN Cc1cccc2oc(CC[NH2+]Cc3cc(Cl)c(C)cc3[O-])nc21 ZINC000825315248 1048075392 /nfs/dbraw/zinc/07/53/92/1048075392.db2.gz GASRSQYQFCPZDK-UHFFFAOYSA-N 0 1 330.815 4.136 20 10 EICDMN Cc1cc([O-])c(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)cc1Cl ZINC000825406731 1048088847 /nfs/dbraw/zinc/08/88/47/1048088847.db2.gz YHMDBPQGXBHKHU-BEFAXECRSA-N 0 1 331.843 4.221 20 10 EICDMN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1O)C[C@H](O)C(C)(C)C ZINC000808742337 1048100059 /nfs/dbraw/zinc/10/00/59/1048100059.db2.gz PVSWWFDWRLOLAK-UZLBHIALSA-N 0 1 327.468 4.362 20 10 EICDMN CCn1c2ccccc2nc1CNCc1cc(Cl)c(C)cc1O ZINC000825509550 1048107966 /nfs/dbraw/zinc/10/79/66/1048107966.db2.gz MGSOHKHMFAMYIA-UHFFFAOYSA-N 0 1 329.831 4.013 20 10 EICDMN [O-]c1c(Cl)cccc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000809698577 1048459815 /nfs/dbraw/zinc/45/98/15/1048459815.db2.gz CSYZDCGSKXZIFJ-ZHALLVOQSA-N 0 1 343.854 4.050 20 10 EICDMN Cc1cc(Br)cc(CN2CCC[C@@H]2c2ccncc2)c1O ZINC000809729352 1048477518 /nfs/dbraw/zinc/47/75/18/1048477518.db2.gz SQVPLBOOGARRQA-MRXNPFEDSA-N 0 1 347.256 4.195 20 10 EICDMN CC(C)OC(=O)C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000809763916 1048525776 /nfs/dbraw/zinc/52/57/76/1048525776.db2.gz SNWNPSGMFFNSHB-KRWDZBQOSA-N 0 1 347.842 4.218 20 10 EICDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCCc3occc3C2)c1 ZINC000809791899 1048536381 /nfs/dbraw/zinc/53/63/81/1048536381.db2.gz AZDVVOACPHSEFN-UHFFFAOYSA-N 0 1 336.229 4.005 20 10 EICDMN CC[C@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000815643282 1048567037 /nfs/dbraw/zinc/56/70/37/1048567037.db2.gz YKJZTUMQLIGSPN-YGRLFVJLSA-N 0 1 340.345 4.314 20 10 EICDMN CC[C@@H]([NH2+]CCC1(OC)CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000815642233 1048567581 /nfs/dbraw/zinc/56/75/81/1048567581.db2.gz WJNVMSXEEUVGFM-CQSZACIVSA-N 0 1 331.378 4.411 20 10 EICDMN Oc1cc(F)c(Br)cc1CN1CC[C@H]1c1ccccc1 ZINC001144306552 1048582791 /nfs/dbraw/zinc/58/27/91/1048582791.db2.gz GSVPWHKGBIOTAU-HNNXBMFYSA-N 0 1 336.204 4.241 20 10 EICDMN CC[C@@H]([NH2+]CCc1ccc(O)cc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810211844 1048680115 /nfs/dbraw/zinc/68/01/15/1048680115.db2.gz IIMMXNYVYWUHLX-MRXNPFEDSA-N 0 1 339.357 4.400 20 10 EICDMN CC[C@@H]([NH2+]CCc1nccs1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810214581 1048684584 /nfs/dbraw/zinc/68/45/84/1048684584.db2.gz CAFRDLCLVOUQFU-GFCCVEGCSA-N 0 1 330.375 4.151 20 10 EICDMN CC[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217694 1048686270 /nfs/dbraw/zinc/68/62/70/1048686270.db2.gz ABGDDRFATZKIPW-HIFRSBDPSA-N 0 1 345.386 4.247 20 10 EICDMN CCC[C@@H](CCO)C[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220934 1048688532 /nfs/dbraw/zinc/68/85/32/1048688532.db2.gz HIRNMLIBQYNOEF-SWLSCSKDSA-N 0 1 333.394 4.250 20 10 EICDMN CC[C@H](C[C@@H](C)CO)[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220876 1048688603 /nfs/dbraw/zinc/68/86/03/1048688603.db2.gz GGKLKOCMHYMGOF-UXIGCNINSA-N 0 1 333.394 4.249 20 10 EICDMN CC[C@H]([NH2+]CCc1cscn1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223066 1048689933 /nfs/dbraw/zinc/68/99/33/1048689933.db2.gz HHEUJPOHSJOTKL-ZDUSSCGKSA-N 0 1 330.375 4.151 20 10 EICDMN CC[C@H]([NH2+][C@@H](C)C[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810224651 1048692222 /nfs/dbraw/zinc/69/22/22/1048692222.db2.gz XARGMUYPEYPEMU-HUBLWGQQSA-N 0 1 331.378 4.267 20 10 EICDMN CC[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223498 1048692945 /nfs/dbraw/zinc/69/29/45/1048692945.db2.gz MKXHKQZWRKWMDN-IAQYHMDHSA-N 0 1 331.378 4.267 20 10 EICDMN CC[C@H]([NH2+]CCc1ccncc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228852 1048696143 /nfs/dbraw/zinc/69/61/43/1048696143.db2.gz MNUGACZMNDHLKA-INIZCTEOSA-N 0 1 338.373 4.398 20 10 EICDMN CC[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810207617 1048704055 /nfs/dbraw/zinc/70/40/55/1048704055.db2.gz MMELWZGCMDZPDE-HNNXBMFYSA-N 0 1 349.356 4.300 20 10 EICDMN CC[C@@H]([NH2+]Cc1cccnc1F)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238161 1048719214 /nfs/dbraw/zinc/71/92/14/1048719214.db2.gz NLEYQBMFEWCHRK-CYBMUJFWSA-N 0 1 328.309 4.186 20 10 EICDMN COc1ccc(C2CC[NH+](Cc3ccc4ccccc4c3[O-])CC2)nc1 ZINC000845998702 1048781319 /nfs/dbraw/zinc/78/13/19/1048781319.db2.gz QHWSOHIWVWHUON-UHFFFAOYSA-N 0 1 348.446 4.329 20 10 EICDMN C[C@H](O)[C@H](NCc1ccc(N2CCCCC2)cc1)c1ccccc1F ZINC000846016876 1048786972 /nfs/dbraw/zinc/78/69/72/1048786972.db2.gz KEVLLNZUBGAVMX-KKSFZXQISA-N 0 1 342.458 4.028 20 10 EICDMN CC1(C)C[C@@H](NCc2ccc3c(c2)CCO3)c2cc(F)ccc2O1 ZINC000846052057 1048807703 /nfs/dbraw/zinc/80/77/03/1048807703.db2.gz JYBFBBCIASOJPH-QGZVFWFLSA-N 0 1 327.399 4.153 20 10 EICDMN CC(C)[N@@H+](CCc1nccs1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816516290 1048822484 /nfs/dbraw/zinc/82/24/84/1048822484.db2.gz ANYJVNTVPHLUAW-UHFFFAOYSA-N 0 1 328.840 4.094 20 10 EICDMN CCn1c2ccccc2nc1[C@H](C)N[C@H](C)c1cccc(OC)c1O ZINC000846156767 1048824725 /nfs/dbraw/zinc/82/47/25/1048824725.db2.gz YBLUTGQGXYMWRT-KGLIPLIRSA-N 0 1 339.439 4.182 20 10 EICDMN COc1cccc([C@H](C)N[C@H](C)c2nc(C(F)(F)F)cs2)c1O ZINC000846167119 1048826644 /nfs/dbraw/zinc/82/66/44/1048826644.db2.gz GSEXLCCRVJGVAJ-DTWKUNHWSA-N 0 1 346.374 4.288 20 10 EICDMN [O-]c1c(C[NH2+]CCc2c[nH]c3cc(F)ccc23)ccc2ccccc12 ZINC000816544952 1048826945 /nfs/dbraw/zinc/82/69/45/1048826945.db2.gz YELXQVBVIRHKDA-UHFFFAOYSA-N 0 1 334.394 4.498 20 10 EICDMN COc1cccc([C@@H](C)N[C@@H](C)c2nc3ccccc3s2)c1O ZINC000846144303 1048831986 /nfs/dbraw/zinc/83/19/86/1048831986.db2.gz KHNOPYPUZNWDST-NEPJUHHUSA-N 0 1 328.437 4.422 20 10 EICDMN CCN(C)c1ccc([C@H](C)N[C@@H](c2ccccc2F)[C@@H](C)O)cc1 ZINC000846181503 1048835993 /nfs/dbraw/zinc/83/59/93/1048835993.db2.gz BOINGSSGLGEAGI-BXTJHSDWSA-N 0 1 330.447 4.055 20 10 EICDMN CC[C@H]([NH2+][C@H](c1ccccc1F)[C@@H](C)O)c1cc(Cl)ccc1[O-] ZINC000846183464 1048837066 /nfs/dbraw/zinc/83/70/66/1048837066.db2.gz OKYDGAFPVJYBJE-VOZBZGINSA-N 0 1 337.822 4.348 20 10 EICDMN [O-]c1c(C[NH+]2CCC(CO)(c3ccccc3)CC2)ccc2ccccc21 ZINC000816624965 1048839451 /nfs/dbraw/zinc/83/94/51/1048839451.db2.gz MVFKFOOZBDFOSX-UHFFFAOYSA-N 0 1 347.458 4.072 20 10 EICDMN [O-]c1c(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)ccc2ccccc12 ZINC000816611939 1048844143 /nfs/dbraw/zinc/84/41/43/1048844143.db2.gz BFRSYLYIXBXDPP-KRWDZBQOSA-N 0 1 341.838 4.065 20 10 EICDMN Cc1cc(C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)ccc1N1CCCCC1 ZINC000846280656 1048852779 /nfs/dbraw/zinc/85/27/79/1048852779.db2.gz GNQDGESABFBQRP-GOSISDBHSA-N 0 1 344.499 4.062 20 10 EICDMN COc1cccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000806088475 1049011742 /nfs/dbraw/zinc/01/17/42/1049011742.db2.gz WLKFOGKJOWYSQS-UHFFFAOYSA-N 0 1 341.194 4.029 20 10 EICDMN CC[C@@H]([NH2+][C@@H]1CCO[C@H](CC)C1)c1cc(Br)ccc1[O-] ZINC000817586793 1049017742 /nfs/dbraw/zinc/01/77/42/1049017742.db2.gz SGXIZZYSARZBBU-UMVBOHGHSA-N 0 1 342.277 4.153 20 10 EICDMN Cc1cc(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])cc(C)n1 ZINC000817590000 1049019066 /nfs/dbraw/zinc/01/90/66/1049019066.db2.gz SDEXEAPUZBSIRX-LBPRGKRZSA-N 0 1 335.245 4.017 20 10 EICDMN CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000811511475 1049125583 /nfs/dbraw/zinc/12/55/83/1049125583.db2.gz JMIOXVPZNSWCNJ-CYBMUJFWSA-N 0 1 332.271 4.479 20 10 EICDMN C[C@H]1C[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CCC1(F)F ZINC000811780083 1049263509 /nfs/dbraw/zinc/26/35/09/1049263509.db2.gz VGIPFMCZMQINIL-LBPRGKRZSA-N 0 1 335.394 4.494 20 10 EICDMN C[C@H]1C[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CCC1(F)F ZINC000811780083 1049263533 /nfs/dbraw/zinc/26/35/33/1049263533.db2.gz VGIPFMCZMQINIL-LBPRGKRZSA-N 0 1 335.394 4.494 20 10 EICDMN CC(C)[N@H+](Cc1cc2oc3ccccc3c2cc1[O-])[C@H]1CCOC1 ZINC000812290220 1049415219 /nfs/dbraw/zinc/41/52/19/1049415219.db2.gz BJEHUHUCOFTUOI-HNNXBMFYSA-N 0 1 325.408 4.291 20 10 EICDMN CC(C)[N@@H+](Cc1cc2oc3ccccc3c2cc1[O-])[C@H]1CCOC1 ZINC000812290220 1049415235 /nfs/dbraw/zinc/41/52/35/1049415235.db2.gz BJEHUHUCOFTUOI-HNNXBMFYSA-N 0 1 325.408 4.291 20 10 EICDMN CC[C@H]([NH2+]C[C@](C)(OC)C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000812735232 1049554893 /nfs/dbraw/zinc/55/48/93/1049554893.db2.gz YFBDQLFGDWJAJD-HOCLYGCPSA-N 0 1 331.378 4.267 20 10 EICDMN C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1cc(Cl)ccc1[O-] ZINC000812736916 1049557102 /nfs/dbraw/zinc/55/71/02/1049557102.db2.gz PYOXHWWSKPLXRN-ZIAGYGMSSA-N 0 1 348.849 4.362 20 10 EICDMN CCN(CC)c1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000813791715 1049817950 /nfs/dbraw/zinc/81/79/50/1049817950.db2.gz ITXTVEUDJIXPAL-UHFFFAOYSA-N 0 1 341.455 4.466 20 10 EICDMN CCN(CC)c1ccc(CNCc2cc3cccnc3o2)cc1F ZINC000823843038 1049880354 /nfs/dbraw/zinc/88/03/54/1049880354.db2.gz VRINFMMYPKCAAD-UHFFFAOYSA-N 0 1 327.403 4.103 20 10 EICDMN CCOc1ccc(Cl)cc1CNCc1ccc(N(C)C)cc1C ZINC001177804858 1050307760 /nfs/dbraw/zinc/30/77/60/1050307760.db2.gz UVMPGINRMVJOPO-UHFFFAOYSA-N 0 1 332.875 4.403 20 10 EICDMN C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc(N3CCSCC3)cc2)o1 ZINC000069716538 1050314437 /nfs/dbraw/zinc/31/44/37/1050314437.db2.gz IUADUXRAYBNYCQ-BEFAXECRSA-N 0 1 342.508 4.246 20 10 EICDMN Cc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)c(Cl)c1 ZINC000773733126 1050415875 /nfs/dbraw/zinc/41/58/75/1050415875.db2.gz GZMAMWATFDUKIS-UHFFFAOYSA-N 0 1 344.886 4.117 20 10 EICDMN COc1ccc(O)c([C@H](C)NCc2csc(C3CCCC3)n2)c1 ZINC000182368231 1050629439 /nfs/dbraw/zinc/62/94/39/1050629439.db2.gz CNWZNFQVABYPNC-LBPRGKRZSA-N 0 1 332.469 4.366 20 10 EICDMN CC[N@H+](Cc1ccc(Br)cc1[O-])[C@H](C)c1cccnc1 ZINC000825934508 1050639244 /nfs/dbraw/zinc/63/92/44/1050639244.db2.gz JUBQGCWCQNFMLR-GFCCVEGCSA-N 0 1 335.245 4.133 20 10 EICDMN CC[N@@H+](Cc1ccc(Br)cc1[O-])[C@H](C)c1cccnc1 ZINC000825934508 1050639256 /nfs/dbraw/zinc/63/92/56/1050639256.db2.gz JUBQGCWCQNFMLR-GFCCVEGCSA-N 0 1 335.245 4.133 20 10 EICDMN CCc1ccc(N2CCN(Cc3cc(Cl)c(C)cc3O)CC2)cc1 ZINC001179909021 1050831384 /nfs/dbraw/zinc/83/13/84/1050831384.db2.gz APICUJUWKFXMLW-UHFFFAOYSA-N 0 1 344.886 4.239 20 10 EICDMN CCOc1ccc(Cl)cc1CN(C)Cc1ccc(N(C)C)cc1 ZINC001204145463 1051119522 /nfs/dbraw/zinc/11/95/22/1051119522.db2.gz NSEXHEJRLPQCLK-UHFFFAOYSA-N 0 1 332.875 4.437 20 10 EICDMN Cc1cc(CN(C)Cc2ccc(N3CCCC3)cc2)cc(Cl)n1 ZINC001181556025 1051251545 /nfs/dbraw/zinc/25/15/45/1051251545.db2.gz RGLBDXHUZZXSMH-UHFFFAOYSA-N 0 1 329.875 4.276 20 10 EICDMN CC(=O)c1cc(F)cc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)c1[O-] ZINC000775422380 1051311524 /nfs/dbraw/zinc/31/15/24/1051311524.db2.gz LVEJSVCPOCPZJD-UHFFFAOYSA-N 0 1 333.790 4.166 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c1[O-] ZINC001191048686 1051349249 /nfs/dbraw/zinc/34/92/49/1051349249.db2.gz RCLXKVQMMOPAAD-CQSZACIVSA-N 0 1 347.817 4.377 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c1[O-] ZINC001191048686 1051349258 /nfs/dbraw/zinc/34/92/58/1051349258.db2.gz RCLXKVQMMOPAAD-CQSZACIVSA-N 0 1 347.817 4.377 20 10 EICDMN COc1cc(CN2CC(C)(CC(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC001182227514 1051427642 /nfs/dbraw/zinc/42/76/42/1051427642.db2.gz ONXDYENYZKXUPQ-UHFFFAOYSA-N 0 1 345.405 4.473 20 10 EICDMN CC[C@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000775493486 1051604070 /nfs/dbraw/zinc/60/40/70/1051604070.db2.gz TVTZBEYMFKIOOB-RDJZCZTQSA-N 0 1 335.879 4.398 20 10 EICDMN CC[C@@H]([NH2+]CCn1cnc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000775498011 1051617506 /nfs/dbraw/zinc/61/75/06/1051617506.db2.gz VXCVWSOBIJVIPO-OAHLLOKOSA-N 0 1 329.831 4.136 20 10 EICDMN CC[C@@H]([NH2+][C@@H]1CCCc2nc(C)ncc21)c1cc(Cl)ccc1[O-] ZINC000775508554 1051640109 /nfs/dbraw/zinc/64/01/09/1051640109.db2.gz VQJQHGZCWGQILZ-NVXWUHKLSA-N 0 1 331.847 4.262 20 10 EICDMN CC[C@H]([NH2+]Cc1cn2c(cccc2C)n1)c1cc(Cl)ccc1[O-] ZINC000775504053 1051644822 /nfs/dbraw/zinc/64/48/22/1051644822.db2.gz QVIYBBJVRAOTSE-INIZCTEOSA-N 0 1 329.831 4.243 20 10 EICDMN CC[C@H]([NH2+]C[C@H](C)c1ccncc1)c1cc(Br)ccc1[O-] ZINC000775513463 1051650674 /nfs/dbraw/zinc/65/06/74/1051650674.db2.gz ZLRPZDOXBFZSHP-LRDDRELGSA-N 0 1 349.272 4.394 20 10 EICDMN CC[C@@H]([NH2+]CC1(CCO)CCCCC1)c1cc(Cl)ccc1[O-] ZINC000775513559 1051651911 /nfs/dbraw/zinc/65/19/11/1051651911.db2.gz RGHDZLFBARQTOP-MRXNPFEDSA-N 0 1 325.880 4.419 20 10 EICDMN CC[C@H]([NH2+]Cc1nc2cc(F)ccc2n1C)c1cc(Cl)ccc1[O-] ZINC000775523129 1051691720 /nfs/dbraw/zinc/69/17/20/1051691720.db2.gz GZLBRIUVWRIREP-AWEZNQCLSA-N 0 1 347.821 4.312 20 10 EICDMN Oc1ccccc1C[N@@H+](CCCc1ccccc1)C[C@@H]1CCCO1 ZINC000071809386 1051699346 /nfs/dbraw/zinc/69/93/46/1051699346.db2.gz DTPZJTBYRFDKKF-FQEVSTJZSA-N 0 1 325.452 4.006 20 10 EICDMN CCc1nn(C)c(CC)c1C[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000775523775 1051700137 /nfs/dbraw/zinc/70/01/37/1051700137.db2.gz NHGRARGZLLKTLR-OAHLLOKOSA-N 0 1 335.879 4.145 20 10 EICDMN [O-]c1c(Cl)cccc1C[NH2+][C@H](CCc1ccccc1)C(F)F ZINC001182910727 1051742287 /nfs/dbraw/zinc/74/22/87/1051742287.db2.gz PKXJONRWTOGHEI-OAHLLOKOSA-N 0 1 325.786 4.402 20 10 EICDMN CC[C@H]([NH2+]Cc1nn(C)c2ccccc12)c1cc(Cl)ccc1[O-] ZINC000775555849 1051839815 /nfs/dbraw/zinc/83/98/15/1051839815.db2.gz RFWUAGZZXGJYCJ-HNNXBMFYSA-N 0 1 329.831 4.173 20 10 EICDMN CC[C@@H]([NH2+]CCc1nn(C)c2ccccc12)c1cc(Cl)ccc1[O-] ZINC000775561933 1051859062 /nfs/dbraw/zinc/85/90/62/1051859062.db2.gz HDIDLYQIIKWWAV-MRXNPFEDSA-N 0 1 343.858 4.216 20 10 EICDMN COc1ccc(N(c2ccc(N)cc2)c2ccc3n[nH]nc3c2)cc1 ZINC001176005299 1051871339 /nfs/dbraw/zinc/87/13/39/1051871339.db2.gz WLTGYEKIXCZACP-UHFFFAOYSA-N 0 1 331.379 4.019 20 10 EICDMN COc1ccc(N(c2ccc(N)cc2)c2ccc3nn[nH]c3c2)cc1 ZINC001176005299 1051871347 /nfs/dbraw/zinc/87/13/47/1051871347.db2.gz WLTGYEKIXCZACP-UHFFFAOYSA-N 0 1 331.379 4.019 20 10 EICDMN Cc1cc(C[N@@H+]2CC[C@H](C)C(F)(F)CC2)c(O)cc1Br ZINC001250120301 1051877958 /nfs/dbraw/zinc/87/79/58/1051877958.db2.gz AWHNQFKGENWYLF-NSHDSACASA-N 0 1 348.231 4.330 20 10 EICDMN Cc1cnc(C2CCN(Cc3ccc(N(C)C)c(F)c3)CC2)s1 ZINC000763673065 1051901017 /nfs/dbraw/zinc/90/10/17/1051901017.db2.gz GNEXZIPLDOEVHM-UHFFFAOYSA-N 0 1 333.476 4.036 20 10 EICDMN Cc1csc(C[C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC001183854621 1051906293 /nfs/dbraw/zinc/90/62/93/1051906293.db2.gz IVJHFOHPFNZOCM-ZDUSSCGKSA-N 0 1 336.888 4.265 20 10 EICDMN COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000774823139 1052170032 /nfs/dbraw/zinc/17/00/32/1052170032.db2.gz GTCCKNVKPYBNSA-GFCCVEGCSA-N 0 1 347.842 4.416 20 10 EICDMN COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000774823141 1052171029 /nfs/dbraw/zinc/17/10/29/1052171029.db2.gz GTCCKNVKPYBNSA-LBPRGKRZSA-N 0 1 347.842 4.416 20 10 EICDMN C[C@@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000185026939 1052366447 /nfs/dbraw/zinc/36/64/47/1052366447.db2.gz KJUQITVZABELDM-CYBMUJFWSA-N 0 1 340.389 4.080 20 10 EICDMN C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc2ccccc2c1[O-] ZINC000186080216 1052864518 /nfs/dbraw/zinc/86/45/18/1052864518.db2.gz YDLOQKACEHCUNZ-OAHLLOKOSA-N 0 1 332.403 4.147 20 10 EICDMN CC[C@H](NCc1c(OC)cccc1OC)c1ccc(N(C)C)cc1 ZINC000850505082 1053264946 /nfs/dbraw/zinc/26/49/46/1053264946.db2.gz MGDVZIGSLHTYDW-SFHVURJKSA-N 0 1 328.456 4.011 20 10 EICDMN C[C@@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1ccc(Br)cc1[O-] ZINC000850542798 1053303951 /nfs/dbraw/zinc/30/39/51/1053303951.db2.gz CCVAFDCQFWMEDC-QLJPJBMISA-N 0 1 348.240 4.198 20 10 EICDMN CN(C)c1ccc(C[N@@H+](Cc2cccc(Cl)c2[O-])C2CC2)cc1 ZINC000775649988 1053387187 /nfs/dbraw/zinc/38/71/87/1053387187.db2.gz VWGQQYDSGMBQSA-UHFFFAOYSA-N 0 1 330.859 4.276 20 10 EICDMN Cc1cccc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3n2C)c1O ZINC000775664108 1053436256 /nfs/dbraw/zinc/43/62/56/1053436256.db2.gz SHGCOOUVAAHHHO-IBGZPJMESA-N 0 1 335.451 4.315 20 10 EICDMN Oc1c(Cl)cccc1CN1CCO[C@H](c2ccccc2Cl)C1 ZINC000775675774 1053534017 /nfs/dbraw/zinc/53/40/17/1053534017.db2.gz BWXVAZWYMFFDJV-INIZCTEOSA-N 0 1 338.234 4.273 20 10 EICDMN Cc1cccc(CN2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1O ZINC000775679331 1053554182 /nfs/dbraw/zinc/55/41/82/1053554182.db2.gz XLVSLYWDVMEFBE-SFHVURJKSA-N 0 1 349.434 4.478 20 10 EICDMN Cc1cccc(CN2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1O ZINC000775679330 1053554706 /nfs/dbraw/zinc/55/47/06/1053554706.db2.gz XLVSLYWDVMEFBE-GOSISDBHSA-N 0 1 349.434 4.478 20 10 EICDMN Fc1ccc2c(c1)onc2CNCc1ccc(N2CCCCC2)cc1 ZINC000865835897 1053605831 /nfs/dbraw/zinc/60/58/31/1053605831.db2.gz IUIBFDVQBRHESY-UHFFFAOYSA-N 0 1 339.414 4.247 20 10 EICDMN C[C@H](N[C@@H]1CCc2ccccc2-n2ccnc21)c1cc(F)ccc1O ZINC000853240514 1053657564 /nfs/dbraw/zinc/65/75/64/1053657564.db2.gz HNMFNBJNGZHANV-SUMWQHHRSA-N 0 1 337.398 4.055 20 10 EICDMN Oc1c(F)cc(Cl)cc1CN1CCc2c3ccccc3[nH]c2C1 ZINC000775725141 1053699938 /nfs/dbraw/zinc/69/99/38/1053699938.db2.gz SZVBTRYYARQFHA-UHFFFAOYSA-N 0 1 330.790 4.224 20 10 EICDMN CCN(C)c1ccc([C@@H](C)NCc2noc3cc(F)ccc23)cc1 ZINC000866610410 1053803901 /nfs/dbraw/zinc/80/39/01/1053803901.db2.gz LPXDNQLJDAPIEE-CYBMUJFWSA-N 0 1 327.403 4.274 20 10 EICDMN CC[C@H](NCc1noc2cc(F)ccc12)c1ccc(N(C)C)cc1 ZINC000866610042 1053804573 /nfs/dbraw/zinc/80/45/73/1053804573.db2.gz KPJDVEGTNNUTMQ-KRWDZBQOSA-N 0 1 327.403 4.274 20 10 EICDMN Oc1c(Cl)cccc1CN1Cc2ccc(Br)cc2C1 ZINC000765672723 1053837567 /nfs/dbraw/zinc/83/75/67/1053837567.db2.gz POZALDRCSWKATI-UHFFFAOYSA-N 0 1 338.632 4.324 20 10 EICDMN Cc1ccc2nc(CN[C@H](C)c3ccc(N4CCCCC4)cc3)cn2c1 ZINC000765759785 1054235991 /nfs/dbraw/zinc/23/59/91/1054235991.db2.gz UGSIURFKTRXEGM-GOSISDBHSA-N 0 1 348.494 4.484 20 10 EICDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000858162354 1054428751 /nfs/dbraw/zinc/42/87/51/1054428751.db2.gz XZABRGMQYCTAJF-SNVBAGLBSA-N 0 1 334.204 4.070 20 10 EICDMN C[C@H]1CCCN(c2ccc(CNCc3ccnc(F)c3)cc2Cl)C1 ZINC000858161646 1054429050 /nfs/dbraw/zinc/42/90/50/1054429050.db2.gz CLEBLGPOXJSRBT-AWEZNQCLSA-N 0 1 347.865 4.400 20 10 EICDMN C[C@@H](CCCc1cccnc1)[NH2+]Cc1c([O-])cccc1Br ZINC000858176309 1054430807 /nfs/dbraw/zinc/43/08/07/1054430807.db2.gz TWJOPUDFBNIZPZ-ZDUSSCGKSA-N 0 1 349.272 4.051 20 10 EICDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000776014378 1054439299 /nfs/dbraw/zinc/43/92/99/1054439299.db2.gz PGLMBFNOZPNFOV-IBGZPJMESA-N 0 1 329.827 4.067 20 10 EICDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000776014378 1054439304 /nfs/dbraw/zinc/43/93/04/1054439304.db2.gz PGLMBFNOZPNFOV-IBGZPJMESA-N 0 1 329.827 4.067 20 10 EICDMN CN(C)c1ccc(CN[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1F ZINC001199812090 1054475099 /nfs/dbraw/zinc/47/50/99/1054475099.db2.gz HGEDUSOKVUFNLA-UXHICEINSA-N 0 1 346.421 4.041 20 10 EICDMN Cc1cc(CN[C@H](C)c2nccnc2C)c(C)n1-c1cccc(C)c1 ZINC000858541791 1054513227 /nfs/dbraw/zinc/51/32/27/1054513227.db2.gz DAZUWQSLRJTOCP-QGZVFWFLSA-N 0 1 334.467 4.352 20 10 EICDMN CC[C@H]([NH2+]Cc1cc(N)cc(F)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000873290193 1054526291 /nfs/dbraw/zinc/52/62/91/1054526291.db2.gz OTRPHBQKDAXGGT-HNNXBMFYSA-N 0 1 342.336 4.373 20 10 EICDMN Cc1cc([O-])c(C[NH2+]C[C@@](C)(O)c2ccccc2Cl)c(Cl)c1 ZINC001201890201 1054936447 /nfs/dbraw/zinc/93/64/47/1054936447.db2.gz VNNBPRGYEXOCSN-QGZVFWFLSA-N 0 1 340.250 4.005 20 10 EICDMN Cc1ncc([C@H](C)NCc2ccc(N(C)C)cc2C(F)(F)F)s1 ZINC000877685447 1055107684 /nfs/dbraw/zinc/10/76/84/1055107684.db2.gz ZVGFSYTWBRTRAH-JTQLQIEISA-N 0 1 343.418 4.387 20 10 EICDMN Cc1cc([O-])c(C[NH2+]CCc2cc(C(F)(F)F)ccn2)cc1Cl ZINC000826017554 1055180927 /nfs/dbraw/zinc/18/09/27/1055180927.db2.gz SYSKSVNUUUSAJW-UHFFFAOYSA-N 0 1 344.764 4.100 20 10 EICDMN COc1cccc(CN[C@@H](c2ccccc2)c2ccccc2OC)c1O ZINC000108421288 1055294921 /nfs/dbraw/zinc/29/49/21/1055294921.db2.gz BPJVSYQEYOAFPE-NRFANRHFSA-N 0 1 349.430 4.289 20 10 EICDMN C[C@H](C[NH2+]Cc1c([O-])cccc1Cl)Oc1ccccc1Cl ZINC000742379006 1058605397 /nfs/dbraw/zinc/60/53/97/1058605397.db2.gz HWQLNNJYWIFLRW-LLVKDONJSA-N 0 1 326.223 4.256 20 10 EICDMN Cc1noc(C)c1C[N@@H+](C)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000054463392 1032063866 /nfs/dbraw/zinc/06/38/66/1032063866.db2.gz GXNQJCXMJFODMO-UHFFFAOYSA-N 0 1 340.423 4.254 20 10 EICDMN Cc1noc(C)c1C[N@H+](C)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000054463392 1032063882 /nfs/dbraw/zinc/06/38/82/1032063882.db2.gz GXNQJCXMJFODMO-UHFFFAOYSA-N 0 1 340.423 4.254 20 10 EICDMN COc1ccc(O)c([C@H](C)NCc2c(F)ccc(F)c2Cl)c1 ZINC000529568546 1032460741 /nfs/dbraw/zinc/46/07/41/1032460741.db2.gz BHRHZVZZXOWHIY-VIFPVBQESA-N 0 1 327.758 4.183 20 10 EICDMN C[C@H]([NH2+][C@@H]1COCc2ccccc21)c1ccc(Br)cc1[O-] ZINC000841762555 1032644392 /nfs/dbraw/zinc/64/43/92/1032644392.db2.gz XONNAOIOJHDCCI-MEDUHNTESA-N 0 1 348.240 4.077 20 10 EICDMN CC[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cc(Br)ccc1[O-] ZINC000693132469 1020978606 /nfs/dbraw/zinc/97/86/06/1020978606.db2.gz PRECRPXJGODYSM-SMDDNHRTSA-N 0 1 342.277 4.011 20 10 EICDMN CCN(Cc1ccccc1O)Cc1c(F)cccc1OC(F)F ZINC001207117818 1022217462 /nfs/dbraw/zinc/21/74/62/1022217462.db2.gz CNGBRECOEHHXTC-UHFFFAOYSA-N 0 1 325.330 4.155 20 10 EICDMN COc1cc(OC)c([C@H](C)NCc2ccc(N(C)C)cc2)cc1Cl ZINC000160555057 1022232005 /nfs/dbraw/zinc/23/20/05/1022232005.db2.gz GFQXEVOMXYWDKU-ZDUSSCGKSA-N 0 1 348.874 4.274 20 10 EICDMN C[C@@H](N[C@H](C)c1cc(F)ccc1O)c1nccn1-c1ccccc1 ZINC000376787128 1023311595 /nfs/dbraw/zinc/31/15/95/1023311595.db2.gz JSROUVMNSPJSBR-ZIAGYGMSSA-N 0 1 325.387 4.129 20 10 EICDMN CC[N@@H+](Cc1ccccc1O)Cc1ccc(OC)cc1C(F)(F)F ZINC001143485183 1023342159 /nfs/dbraw/zinc/34/21/59/1023342159.db2.gz XMOFYVNLAAEKJJ-UHFFFAOYSA-N 0 1 339.357 4.442 20 10 EICDMN C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1ccc(Br)cc1[O-] ZINC000834913177 1023413143 /nfs/dbraw/zinc/41/31/43/1023413143.db2.gz ZMRUMLGHWGJLIE-RYUDHWBXSA-N 0 1 342.277 4.011 20 10 EICDMN CC[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000377799462 1023763519 /nfs/dbraw/zinc/76/35/19/1023763519.db2.gz VCPRFKRESMCZTH-GWCFXTLKSA-N 0 1 340.254 4.020 20 10 EICDMN CC[C@@H]([NH2+]CCOC(C)(C)C)c1cc(Br)ccc1[O-] ZINC000308693671 1024361122 /nfs/dbraw/zinc/36/11/22/1024361122.db2.gz NRFGLZOUYNFJSS-CYBMUJFWSA-N 0 1 330.266 4.011 20 10 EICDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000091891097 1025868012 /nfs/dbraw/zinc/86/80/12/1025868012.db2.gz BDVDYHKZYUVNND-HOCLYGCPSA-N 0 1 337.872 4.195 20 10 EICDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000091891097 1025868019 /nfs/dbraw/zinc/86/80/19/1025868019.db2.gz BDVDYHKZYUVNND-HOCLYGCPSA-N 0 1 337.872 4.195 20 10 EICDMN COc1ccc([C@H]([NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])C(C)C)cc1 ZINC000182058917 1026017522 /nfs/dbraw/zinc/01/75/22/1026017522.db2.gz NYZPMVWXXOJILH-LJQANCHMSA-N 0 1 345.414 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CC[N@@H+](CCc1ccccn1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769032795 1045872019 /nfs/dbraw/zinc/87/20/19/1045872019.db2.gz GHEPAZBFJAYQPU-UHFFFAOYSA-N 0 1 325.239 4.159 20 10 EICDMN [O-]c1c(Cl)cc(Cl)cc1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000769210171 1045895448 /nfs/dbraw/zinc/89/54/48/1045895448.db2.gz XCXLZBAYAXAHTJ-UHFFFAOYSA-N 0 1 343.298 4.149 20 10 EICDMN Cn1cccc1[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769537196 1046014394 /nfs/dbraw/zinc/01/43/94/1046014394.db2.gz IQWJHNKDPDKJLH-OAHLLOKOSA-N 0 1 349.818 4.020 20 10 EICDMN C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])c1cncc(F)c1 ZINC000757636269 1046057619 /nfs/dbraw/zinc/05/76/19/1046057619.db2.gz FCGWSGFKBSTDFV-UWVGGRQHSA-N 0 1 339.208 4.101 20 10 EICDMN CN(C)c1ccc(CN(C)Cc2cccc(O)c2)c(C(F)(F)F)c1 ZINC000792759809 1046062727 /nfs/dbraw/zinc/06/27/27/1046062727.db2.gz DZAJPUWOCINBAG-UHFFFAOYSA-N 0 1 338.373 4.109 20 10 EICDMN CCc1noc(C)c1[C@@H](C)NCc1ccc(N(CC)CC)c(F)c1 ZINC000769877584 1046104936 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[O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1)oc1ccccc12 ZINC000789513254 1047434909 /nfs/dbraw/zinc/43/49/09/1047434909.db2.gz KMSZMSBIVNRUOS-YLJYHZDGSA-N 0 1 337.419 4.435 20 10 EICDMN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1)oc1ccccc12 ZINC000789513254 1047434914 /nfs/dbraw/zinc/43/49/14/1047434914.db2.gz KMSZMSBIVNRUOS-YLJYHZDGSA-N 0 1 337.419 4.435 20 10 EICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1(c2ccccc2)CC1 ZINC000807835598 1047521372 /nfs/dbraw/zinc/52/13/72/1047521372.db2.gz IYOFBFCTNCZNFL-UHFFFAOYSA-N 0 1 336.218 4.047 20 10 EICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccc(Cl)c1F ZINC000807839500 1047524124 /nfs/dbraw/zinc/52/41/24/1047524124.db2.gz NWWLOIZBUSBDPT-UHFFFAOYSA-N 0 1 348.588 4.422 20 10 EICDMN C[N@@H+](Cc1cccc(OC(F)(F)F)c1)Cc1cc(F)c(F)cc1[O-] ZINC001142534370 1047555602 /nfs/dbraw/zinc/55/56/02/1047555602.db2.gz HHGVMGZYMPHNMO-UHFFFAOYSA-N 0 1 347.283 4.201 20 10 EICDMN COc1ccc(CCC[N@H+](C)Cc2c([O-])ccc3ccncc32)cc1 ZINC000918731452 1047624386 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20 10 EICDMN CC[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])c1nc(C)cs1 ZINC000825252907 1048061184 /nfs/dbraw/zinc/06/11/84/1048061184.db2.gz BFJNHWHUKIUAEE-GFCCVEGCSA-N 0 1 341.274 4.161 20 10 EICDMN Cc1cc([O-])c(C[NH2+]C2(c3ccccc3)CCOCC2)cc1Cl ZINC000825287716 1048062404 /nfs/dbraw/zinc/06/24/04/1048062404.db2.gz LUEBMNVAKJGQLV-UHFFFAOYSA-N 0 1 331.843 4.150 20 10 EICDMN C[C@@H](NCc1cc2c(cc1Cl)OCCO2)c1ccc(N(C)C)cc1 ZINC000808748705 1048081518 /nfs/dbraw/zinc/08/15/18/1048081518.db2.gz YOFAZADBRSXRTF-CYBMUJFWSA-N 0 1 346.858 4.028 20 10 EICDMN Cc1cc([O-])c(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000825519711 1048107713 /nfs/dbraw/zinc/10/77/13/1048107713.db2.gz KKQVUHRNUFBJEQ-UHFFFAOYSA-N 0 1 334.803 4.287 20 10 EICDMN COc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1C(F)(F)F ZINC001143646263 1048134571 /nfs/dbraw/zinc/13/45/71/1048134571.db2.gz LOHTVIGBWRYZPT-UHFFFAOYSA-N 0 1 325.330 4.052 20 10 EICDMN CCN(CC)c1ccc(CNCc2conc2Cc2ccccc2)cc1 ZINC000815115799 1048328970 /nfs/dbraw/zinc/32/89/70/1048328970.db2.gz NESFEYRNOLEIER-UHFFFAOYSA-N 0 1 349.478 4.401 20 10 EICDMN CCN(C)c1ccc(CN[C@@H](COC)c2ccc(Cl)cc2)cc1 ZINC000815104603 1048347382 /nfs/dbraw/zinc/34/73/82/1048347382.db2.gz NYLJEYVTPFPCGS-IBGZPJMESA-N 0 1 332.875 4.273 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000815152989 1048348925 /nfs/dbraw/zinc/34/89/25/1048348925.db2.gz DMIKCJSHZIAFPA-UHFFFAOYSA-N 0 1 331.721 4.076 20 10 EICDMN CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2[O-])CS1 ZINC000809712774 1048490437 /nfs/dbraw/zinc/49/04/37/1048490437.db2.gz DYKARDBVUIUKTK-GXTWGEPZSA-N 0 1 344.318 4.165 20 10 EICDMN COCCN(Cc1cccnc1)Cc1cc(-c2ccccc2)ccc1O ZINC000809740692 1048511677 /nfs/dbraw/zinc/51/16/77/1048511677.db2.gz AQKBJGFKUGMMQA-UHFFFAOYSA-N 0 1 348.446 4.103 20 10 EICDMN CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000809764388 1048525606 /nfs/dbraw/zinc/52/56/06/1048525606.db2.gz FSOHTOTUEISYIT-HNNXBMFYSA-N 0 1 335.245 4.133 20 10 EICDMN CCOC1(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])CCCC1 ZINC000815644810 1048569933 /nfs/dbraw/zinc/56/99/33/1048569933.db2.gz MMEXGQZMXKMQQD-LBPRGKRZSA-N 0 1 342.277 4.155 20 10 EICDMN C[C@@H]1C[C@H](NCc2c(F)cc(F)cc2F)c2c1c(F)ccc2O ZINC000815649820 1048572402 /nfs/dbraw/zinc/57/24/02/1048572402.db2.gz ZSMQUIJYNBXYKE-CLAHSXSESA-N 0 1 325.305 4.287 20 10 EICDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CCCC2(CCC2)C1 ZINC001144307559 1048585950 /nfs/dbraw/zinc/58/59/50/1048585950.db2.gz ABLFCQGPHRHJKJ-UHFFFAOYSA-N 0 1 328.225 4.060 20 10 EICDMN CC[C@H](NCc1ccn(C(C)C)n1)c1ccc(C(F)(F)F)cc1O ZINC000810217706 1048685701 /nfs/dbraw/zinc/68/57/01/1048685701.db2.gz AQTSEKJFFIIHAL-HNNXBMFYSA-N 0 1 341.377 4.429 20 10 EICDMN CC[C@H]([NH2+]Cc1scnc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217189 1048686113 /nfs/dbraw/zinc/68/61/13/1048686113.db2.gz XXTJEFMWBLZTHO-LBPRGKRZSA-N 0 1 330.375 4.417 20 10 EICDMN CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220170 1048687912 /nfs/dbraw/zinc/68/79/12/1048687912.db2.gz RCAXTJNKTUKCHJ-WMHQRMGPSA-N 0 1 343.389 4.265 20 10 EICDMN CC[C@@H]([NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-])[C@@H]1CCCO1 ZINC000810229143 1048695632 /nfs/dbraw/zinc/69/56/32/1048695632.db2.gz SZWMJZJSVLAIQE-LZWOXQAQSA-N 0 1 331.378 4.409 20 10 EICDMN CC[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208219 1048705876 /nfs/dbraw/zinc/70/58/76/1048705876.db2.gz TYWCWXQZOSHSDM-DOTOQJQBSA-N 0 1 339.357 4.185 20 10 EICDMN Oc1c(CN2CCO[C@@H](c3ccc(F)cc3)C2)ccc2ccccc21 ZINC000816488255 1048813861 /nfs/dbraw/zinc/81/38/61/1048813861.db2.gz NPANZPFFQFTJFN-HXUWFJFHSA-N 0 1 337.394 4.258 20 10 EICDMN CN(Cc1ccc(Sc2ccccn2)o1)Cc1ccccc1O ZINC000816492818 1048814433 /nfs/dbraw/zinc/81/44/33/1048814433.db2.gz FAGWLRAROKOYFU-UHFFFAOYSA-N 0 1 326.421 4.163 20 10 EICDMN Oc1c(CN2CCO[C@H](c3ccc(F)cc3)C2)ccc2ccccc21 ZINC000816488254 1048814657 /nfs/dbraw/zinc/81/46/57/1048814657.db2.gz NPANZPFFQFTJFN-FQEVSTJZSA-N 0 1 337.394 4.258 20 10 EICDMN CCN(CC)[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])c1ccco1 ZINC000816543662 1048826502 /nfs/dbraw/zinc/82/65/02/1048826502.db2.gz JNZJDOKERKCZDJ-IBGZPJMESA-N 0 1 338.451 4.311 20 10 EICDMN Oc1c(CNCc2cc(-c3ccccc3)on2)ccc2ccccc21 ZINC000816544679 1048827158 /nfs/dbraw/zinc/82/71/58/1048827158.db2.gz PFLLCYBRZPVQIL-UHFFFAOYSA-N 0 1 330.387 4.490 20 10 EICDMN C[C@@H](O)[C@](C)(C[NH2+]Cc1ccc2ccccc2c1[O-])Cc1ccccc1 ZINC000816590645 1048833007 /nfs/dbraw/zinc/83/30/07/1048833007.db2.gz HKRYZMHUOYWPNG-HXOBKFHXSA-N 0 1 349.474 4.265 20 10 EICDMN COc1ccccc1O[C@H](C)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816554769 1048834372 /nfs/dbraw/zinc/83/43/72/1048834372.db2.gz IQTHPPFBSIRCSK-OAHLLOKOSA-N 0 1 337.419 4.111 20 10 EICDMN [O-]c1c(C[NH2+]Cc2ccnc(N3CCCCC3)c2)ccc2ccccc21 ZINC000816561649 1048836073 /nfs/dbraw/zinc/83/60/73/1048836073.db2.gz GLYLURDIFMTYLZ-UHFFFAOYSA-N 0 1 347.462 4.221 20 10 EICDMN CC[C@H](N[C@H](c1ccccc1F)[C@@H](C)O)c1ccc(N(C)C)cc1 ZINC000846185082 1048837411 /nfs/dbraw/zinc/83/74/11/1048837411.db2.gz YMKQLMBMMOKZGL-UAOJZALGSA-N 0 1 330.447 4.055 20 10 EICDMN COC(=O)Nc1cccc(C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816609179 1048843942 /nfs/dbraw/zinc/84/39/42/1048843942.db2.gz UQHSMCWMBVDGKZ-UHFFFAOYSA-N 0 1 336.391 4.014 20 10 EICDMN [O-]c1c(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)ccc2ccccc21 ZINC000816614802 1048845296 /nfs/dbraw/zinc/84/52/96/1048845296.db2.gz GCAQUHSDPSSISC-FQEVSTJZSA-N 0 1 344.458 4.182 20 10 EICDMN [O-]c1c(C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)ccc2ccccc21 ZINC000816614802 1048845301 /nfs/dbraw/zinc/84/53/01/1048845301.db2.gz GCAQUHSDPSSISC-FQEVSTJZSA-N 0 1 344.458 4.182 20 10 EICDMN [O-]c1c(C[NH2+][C@H]2CCN(c3ccccc3F)C2)ccc2ccccc21 ZINC000816617183 1048845546 /nfs/dbraw/zinc/84/55/46/1048845546.db2.gz QGCXGGPMQUDHOX-KRWDZBQOSA-N 0 1 336.410 4.053 20 10 EICDMN CC[C@H]([NH2+][C@@H]1CCO[C@H](CC)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817415732 1048966317 /nfs/dbraw/zinc/96/63/17/1048966317.db2.gz XQHKBXPYXABGFQ-NFAWXSAZSA-N 0 1 331.378 4.409 20 10 EICDMN CC[C@@H]([NH2+]Cc1cc(C)cc(N)c1)c1cc(Br)ccc1[O-] ZINC000817981339 1049077123 /nfs/dbraw/zinc/07/71/23/1049077123.db2.gz RECPSVKREFNZBJ-MRXNPFEDSA-N 0 1 349.272 4.286 20 10 EICDMN Oc1ccc(CCNc2ccnc3cc(C(F)(F)F)ccc32)cc1O ZINC000811810779 1049275500 /nfs/dbraw/zinc/27/55/00/1049275500.db2.gz BQUDFGSOKKEBTP-UHFFFAOYSA-N 0 1 348.324 4.319 20 10 EICDMN [O-]c1cc2ccccc2cc1C[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170670049 1049392813 /nfs/dbraw/zinc/39/28/13/1049392813.db2.gz PPVGKKMLHKBFSG-SFHVURJKSA-N 0 1 339.385 4.471 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)c1[O-] ZINC000812880928 1049620483 /nfs/dbraw/zinc/62/04/83/1049620483.db2.gz GYSFTCIZKYXPON-CABCVRRESA-N 0 1 347.352 4.287 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)c1[O-] ZINC000812880928 1049620487 /nfs/dbraw/zinc/62/04/87/1049620487.db2.gz GYSFTCIZKYXPON-CABCVRRESA-N 0 1 347.352 4.287 20 10 EICDMN CC(=O)c1cc(F)cc(CN(C)[C@H]2CCCC[C@H]2C(F)(F)F)c1O ZINC000812880928 1049620489 /nfs/dbraw/zinc/62/04/89/1049620489.db2.gz GYSFTCIZKYXPON-CABCVRRESA-N 0 1 347.352 4.287 20 10 EICDMN Oc1ccccc1CN1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000179568792 1049678220 /nfs/dbraw/zinc/67/82/20/1049678220.db2.gz HGTWSKVPXOHNKE-QGZVFWFLSA-N 0 1 335.407 4.169 20 10 EICDMN CCOCc1cc(CNCc2ccc([C@@H]3C[C@@H]3C)o2)ccc1OC ZINC000747853755 1049769508 /nfs/dbraw/zinc/76/95/08/1049769508.db2.gz GTJJBULAXASBDP-KBXCAEBGSA-N 0 1 329.440 4.238 20 10 EICDMN CC(C)c1[nH]ccc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813684042 1049808619 /nfs/dbraw/zinc/80/86/19/1049808619.db2.gz CJTFPUDPWAQKQA-UHFFFAOYSA-N 0 1 327.211 4.081 20 10 EICDMN CC[C@H](C)OCC[C@@H](C)N1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001172338081 1049887800 /nfs/dbraw/zinc/88/78/00/1049887800.db2.gz ACYNOFJHYNKIIU-CVEARBPZSA-N 0 1 344.499 4.139 20 10 EICDMN COc1ccc(CN(C)Cc2cccc(Cl)c2Cl)c(O)c1 ZINC001203627757 1050174806 /nfs/dbraw/zinc/17/48/06/1050174806.db2.gz NKSLACZBYFROMD-UHFFFAOYSA-N 0 1 326.223 4.340 20 10 EICDMN C[C@@H](NC/C=C\c1ccc(N(C)C)cc1)c1nc2ccccc2n1C ZINC001177904505 1050325034 /nfs/dbraw/zinc/32/50/34/1050325034.db2.gz JOGVLJHPCGHNJA-XITLMJRVSA-N 0 1 334.467 4.003 20 10 EICDMN COc1ccc2c(c1)CC[C@H]([NH2+]Cc1c([O-])cc(C)cc1Cl)C2 ZINC001178294848 1050431526 /nfs/dbraw/zinc/43/15/26/1050431526.db2.gz CVBBYUMJYBTQSF-HNNXBMFYSA-N 0 1 331.843 4.010 20 10 EICDMN CCOC(=O)CC[N@H+](Cc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC001203650986 1050452873 /nfs/dbraw/zinc/45/28/73/1050452873.db2.gz HMWHJOXTRNGFJR-UHFFFAOYSA-N 0 1 347.842 4.001 20 10 EICDMN CCOC(=O)CC[N@@H+](Cc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC001203650986 1050452883 /nfs/dbraw/zinc/45/28/83/1050452883.db2.gz HMWHJOXTRNGFJR-UHFFFAOYSA-N 0 1 347.842 4.001 20 10 EICDMN COc1ccc(O)c([C@H](C)NCc2coc(-c3cccc(F)c3)n2)c1 ZINC000182407332 1050648611 /nfs/dbraw/zinc/64/86/11/1050648611.db2.gz YDNIINVHFMHSJE-LBPRGKRZSA-N 0 1 342.370 4.046 20 10 EICDMN Cc1cc(CNCc2ccnn2CC(C)C)c(C)n1-c1ccccc1 ZINC001179333143 1050677743 /nfs/dbraw/zinc/67/77/43/1050677743.db2.gz QZBLWIKFQRLFMV-UHFFFAOYSA-N 0 1 336.483 4.236 20 10 EICDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC001179855035 1050799088 /nfs/dbraw/zinc/79/90/88/1050799088.db2.gz MMQMDSDRHRALSD-ZDUSSCGKSA-N 0 1 335.419 4.285 20 10 EICDMN CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(Cl)c(C)cc1[O-] ZINC001180108853 1050887599 /nfs/dbraw/zinc/88/75/99/1050887599.db2.gz YQNTUXHIWWWWJR-UHFFFAOYSA-N 0 1 349.858 4.393 20 10 EICDMN CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(Cl)c(C)cc1[O-] ZINC001180108853 1050887605 /nfs/dbraw/zinc/88/76/05/1050887605.db2.gz YQNTUXHIWWWWJR-UHFFFAOYSA-N 0 1 349.858 4.393 20 10 EICDMN Cc1cccc(N2CC[NH+](Cc3ccc4ccccc4c3[O-])CC2)c1 ZINC001180462372 1051008639 /nfs/dbraw/zinc/00/86/39/1051008639.db2.gz JZYHLVDNCLHFIE-UHFFFAOYSA-N 0 1 332.447 4.176 20 10 EICDMN CCC1CCC([N@H+](CCO)Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC001181418494 1051218787 /nfs/dbraw/zinc/21/87/87/1051218787.db2.gz MVGPMOCEUVWWLV-UHFFFAOYSA-N 0 1 325.880 4.117 20 10 EICDMN CCC1CCC([N@@H+](CCO)Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC001181418494 1051218803 /nfs/dbraw/zinc/21/88/03/1051218803.db2.gz MVGPMOCEUVWWLV-UHFFFAOYSA-N 0 1 325.880 4.117 20 10 EICDMN CCCCn1cc(CNCc2ccc(N(CC)CC)c(F)c2)c(C)n1 ZINC000773411299 1051225873 /nfs/dbraw/zinc/22/58/73/1051225873.db2.gz ZIPKKODQNUUPDH-UHFFFAOYSA-N 0 1 346.494 4.267 20 10 EICDMN Cc1cc(O)c(CN2CCN(c3cccc(F)c3)C[C@H]2C)cc1Cl ZINC001182114569 1051392643 /nfs/dbraw/zinc/39/26/43/1051392643.db2.gz AEFATNAFTPIVOI-CQSZACIVSA-N 0 1 348.849 4.204 20 10 EICDMN C[C@H]([NH2+]C1CCN(C2CCC2)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774141974 1051493583 /nfs/dbraw/zinc/49/35/83/1051493583.db2.gz FNHYVHCSPITJJE-NSHDSACASA-N 0 1 343.298 4.367 20 10 EICDMN CC[C@H]([NH2+]Cc1cccc(OC)c1OC)c1cc(Cl)ccc1[O-] ZINC000775493891 1051602588 /nfs/dbraw/zinc/60/25/88/1051602588.db2.gz WHBPMGGXOOKECM-HNNXBMFYSA-N 0 1 335.831 4.304 20 10 EICDMN CC[C@@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000775493485 1051603772 /nfs/dbraw/zinc/60/37/72/1051603772.db2.gz TVTZBEYMFKIOOB-NVXWUHKLSA-N 0 1 335.879 4.398 20 10 EICDMN CC[C@H]([NH2+]Cc1cn2ccc(C)cc2n1)c1cc(Cl)ccc1[O-] ZINC000775499726 1051624486 /nfs/dbraw/zinc/62/44/86/1051624486.db2.gz UXQGVYHOPUMEDX-INIZCTEOSA-N 0 1 329.831 4.243 20 10 EICDMN CC[C@@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cc(Cl)ccc1[O-] ZINC000775504183 1051644178 /nfs/dbraw/zinc/64/41/78/1051644178.db2.gz VDGFFRNYTYTHJO-QMTHXVAHSA-N 0 1 345.830 4.429 20 10 EICDMN CC[C@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000775504511 1051644467 /nfs/dbraw/zinc/64/44/67/1051644467.db2.gz ZOALYJPZDSBIJH-ZBEGNZNMSA-N 0 1 347.846 4.338 20 10 EICDMN CC[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000775506726 1051645983 /nfs/dbraw/zinc/64/59/83/1051645983.db2.gz CSJGXXABTZXTJT-PBQZTSCYSA-N 0 1 337.822 4.348 20 10 EICDMN CC[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1cc(Cl)ccc1[O-] ZINC000775508975 1051648779 /nfs/dbraw/zinc/64/87/79/1051648779.db2.gz HIFPDMIXSARIEU-BBRMVZONSA-N 0 1 325.861 4.056 20 10 EICDMN CC[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775509664 1051653175 /nfs/dbraw/zinc/65/31/75/1051653175.db2.gz OEOMWOAZSOTJRT-YJBOKZPZSA-N 0 1 333.859 4.253 20 10 EICDMN CC[C@H]([NH2+][C@H](C)Cc1ccncc1)c1cc(Br)ccc1[O-] ZINC000775512961 1051660474 /nfs/dbraw/zinc/66/04/74/1051660474.db2.gz ULTQWPBXNVNZBU-WBMJQRKESA-N 0 1 349.272 4.222 20 10 EICDMN CC[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1cc(Cl)ccc1[O-] ZINC000775514515 1051669348 /nfs/dbraw/zinc/66/93/48/1051669348.db2.gz ZAAUVGRNRKWOPG-CYBMUJFWSA-N 0 1 347.768 4.045 20 10 EICDMN CC[C@H]([NH2+][C@@H](CO)[C@@H](C)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775525611 1051726755 /nfs/dbraw/zinc/72/67/55/1051726755.db2.gz XPSPNKJSZGYFKJ-KKXDTOCCSA-N 0 1 333.859 4.251 20 10 EICDMN CC[C@H]([NH2+][C@H](C)[C@H](O)c1cccc(F)c1)c1cc(Cl)ccc1[O-] ZINC000775528408 1051739174 /nfs/dbraw/zinc/73/91/74/1051739174.db2.gz YBLBSXPZGLXAHA-VOZBZGINSA-N 0 1 337.822 4.348 20 10 EICDMN O=C(Nc1ccc(-c2cccnc2)cc1)c1cc(O)c(O)c(Cl)c1 ZINC001193625205 1051957272 /nfs/dbraw/zinc/95/72/72/1051957272.db2.gz OURDETUPGREMQY-UHFFFAOYSA-N 0 1 340.766 4.066 20 10 EICDMN O=C(Nc1cncc(-c2ccccc2)c1)c1cc(O)c(O)c(Cl)c1 ZINC001193605990 1051965192 /nfs/dbraw/zinc/96/51/92/1051965192.db2.gz PTKFISQKRATRIH-UHFFFAOYSA-N 0 1 340.766 4.066 20 10 EICDMN COc1ccccc1[C@@H](C)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000774780955 1052095682 /nfs/dbraw/zinc/09/56/82/1052095682.db2.gz PUSNYHHUNQKWHB-LLVKDONJSA-N 0 1 333.815 4.108 20 10 EICDMN Cc1ccc(NCc2ccc(F)c(F)c2O)cc1OCC(F)F ZINC000864028352 1053166126 /nfs/dbraw/zinc/16/61/26/1053166126.db2.gz UDOGPGOYLMIKJS-UHFFFAOYSA-N 0 1 329.293 4.235 20 10 EICDMN Cc1cnn(-c2ccc(C)cc2NCc2ccc(F)c(F)c2O)c1 ZINC000864030628 1053166981 /nfs/dbraw/zinc/16/69/81/1053166981.db2.gz NJTVGYICPSZTII-UHFFFAOYSA-N 0 1 329.350 4.085 20 10 EICDMN CC[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1)c1cc(Cl)ccc1[O-] ZINC000850541302 1053304999 /nfs/dbraw/zinc/30/49/99/1053304999.db2.gz UZSBXWWLTJDJEQ-JLSDUUJJSA-N 0 1 347.890 4.231 20 10 EICDMN COc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(Cl)c2[O-])c(OC)c1 ZINC000775646958 1053344393 /nfs/dbraw/zinc/34/43/93/1053344393.db2.gz NFODRPKMMVNXLU-KRWDZBQOSA-N 0 1 347.842 4.400 20 10 EICDMN Cc1cccc(Cl)c1S(=O)(=O)Nc1ccc(O)c2ccccc12 ZINC001195308876 1053374729 /nfs/dbraw/zinc/37/47/29/1053374729.db2.gz VUONABYYUDTZIZ-UHFFFAOYSA-N 0 1 347.823 4.308 20 10 EICDMN Cc1cc(Cl)cc(CN(Cc2ccco2)C[C@H]2CCCO2)c1O ZINC000775661950 1053429424 /nfs/dbraw/zinc/42/94/24/1053429424.db2.gz SDWSATSJRICKHC-QGZVFWFLSA-N 0 1 335.831 4.128 20 10 EICDMN Cc1cc(C[N@H+]2[C@H](C)CC[C@H](C(=O)[O-])[C@@H]2C)ccc1N1CCCCC1 ZINC000851708413 1053508293 /nfs/dbraw/zinc/50/82/93/1053508293.db2.gz FOTIHBLXYCXVPF-AOIWGVFYSA-N 0 1 344.499 4.059 20 10 EICDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000775676786 1053551726 /nfs/dbraw/zinc/55/17/26/1053551726.db2.gz ZTJNSEMTAOFWTR-HNNXBMFYSA-N 0 1 331.799 4.111 20 10 EICDMN c1ccc(CC[C@H](NCc2ccc3c(c2)CCO3)c2ccccn2)cc1 ZINC000865664567 1053567745 /nfs/dbraw/zinc/56/77/45/1053567745.db2.gz KQJKZBLXWTXVND-QFIPXVFZSA-N 0 1 344.458 4.480 20 10 EICDMN [O-]c1c(F)cc(Cl)cc1C[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000775695672 1053611019 /nfs/dbraw/zinc/61/10/19/1053611019.db2.gz AOZDYABNGAHLPZ-SFHVURJKSA-N 0 1 349.833 4.057 20 10 EICDMN C[C@@H](N[C@@H]1CCc2ccccc2-n2ccnc21)c1ccc(N(C)C)cc1 ZINC000853240814 1053658163 /nfs/dbraw/zinc/65/81/63/1053658163.db2.gz ILHQNPKIPXUVPS-OXQOHEQNSA-N 0 1 346.478 4.276 20 10 EICDMN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000111236137 1053666126 /nfs/dbraw/zinc/66/61/26/1053666126.db2.gz JXTNOIRHUDAWFA-HOTGVXAUSA-N 0 1 340.467 4.365 20 10 EICDMN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000111236135 1053666967 /nfs/dbraw/zinc/66/69/67/1053666967.db2.gz JXTNOIRHUDAWFA-CVEARBPZSA-N 0 1 340.467 4.365 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccc(Br)cc1 ZINC000083552239 1053685011 /nfs/dbraw/zinc/68/50/11/1053685011.db2.gz XXWKUVXKOUCQMG-UHFFFAOYSA-N 0 1 326.621 4.098 20 10 EICDMN COc1cc(O)c(CN2CC3(CCCC3)[C@@H]2c2ccco2)cc1OC ZINC000853539099 1053685414 /nfs/dbraw/zinc/68/54/14/1053685414.db2.gz NDZDSUDZZAUYBI-IBGZPJMESA-N 0 1 343.423 4.120 20 10 EICDMN C[N@H+](CC1=CCSC1)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000853619295 1053691762 /nfs/dbraw/zinc/69/17/62/1053691762.db2.gz YYQRRDOZWSZPFI-UHFFFAOYSA-N 0 1 325.433 4.397 20 10 EICDMN C[N@@H+](CC1=CCSC1)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000853619295 1053691769 /nfs/dbraw/zinc/69/17/69/1053691769.db2.gz YYQRRDOZWSZPFI-UHFFFAOYSA-N 0 1 325.433 4.397 20 10 EICDMN CC(C)[N@@H+](CCc1nccs1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775724429 1053692339 /nfs/dbraw/zinc/69/23/39/1053692339.db2.gz DBOGEDBPHUZIBF-UHFFFAOYSA-N 0 1 328.840 4.094 20 10 EICDMN c1cc(N2CCCCC2)ccc1CNCc1nc2c(s1)CCCC2 ZINC000776688392 1053697020 /nfs/dbraw/zinc/69/70/20/1053697020.db2.gz CIYXENVCOYAEFE-UHFFFAOYSA-N 0 1 341.524 4.302 20 10 EICDMN C[C@@H](NCCCSc1nccs1)c1c(F)cccc1[N+](=O)[O-] ZINC000872038220 1054352323 /nfs/dbraw/zinc/35/23/23/1054352323.db2.gz LQBKHDZDBYMKQM-SNVBAGLBSA-N 0 1 341.433 4.023 20 10 EICDMN Cc1cc(N(C)C)ccc1CNCc1ccc(CSC(F)F)o1 ZINC000115629671 1054366943 /nfs/dbraw/zinc/36/69/43/1054366943.db2.gz DYZWEXPFYKSDTF-UHFFFAOYSA-N 0 1 340.439 4.400 20 10 EICDMN C[C@H](NCc1cc(C(F)(F)F)cc(Cl)n1)c1cc(F)ccc1O ZINC000872115601 1054395825 /nfs/dbraw/zinc/39/58/25/1054395825.db2.gz DWMHOCDHRWZLCV-QMMMGPOBSA-N 0 1 348.727 4.449 20 10 EICDMN C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1ccc2ccccc2c1[O-] ZINC000858453440 1054493400 /nfs/dbraw/zinc/49/34/00/1054493400.db2.gz LEOGWCFZLCRPPU-KXBFYZLASA-N 0 1 333.431 4.338 20 10 EICDMN CC[C@@H](Nc1cnn(CCF)c1)c1cc(Cl)cc(Cl)c1O ZINC000858491837 1054498548 /nfs/dbraw/zinc/49/85/48/1054498548.db2.gz OXEUFPXAACZBNC-CYBMUJFWSA-N 0 1 332.206 4.428 20 10 EICDMN CC[C@@H]([NH2+]Cc1cccs1)c1cc(Br)ccc1[O-] ZINC000020139198 1054599907 /nfs/dbraw/zinc/59/99/07/1054599907.db2.gz NOSGFJJTRZURIH-CYBMUJFWSA-N 0 1 326.259 4.457 20 10 EICDMN Cc1csc([C@H](C)NCc2cc(Br)cc(C)c2O)n1 ZINC000776163444 1054776342 /nfs/dbraw/zinc/77/63/42/1054776342.db2.gz RFXOXBYEXFGSLD-JTQLQIEISA-N 0 1 341.274 4.079 20 10 EICDMN CC[N@@H+](Cc1ccc(Br)cc1O)[C@@H](C)c1cccnc1 ZINC000825934510 1055012230 /nfs/dbraw/zinc/01/22/30/1055012230.db2.gz JUBQGCWCQNFMLR-LBPRGKRZSA-N 0 1 335.245 4.133 20 10 EICDMN CC[N@H+](Cc1ccc(Br)cc1[O-])[C@@H](C)c1cccnc1 ZINC000825934510 1055012246 /nfs/dbraw/zinc/01/22/46/1055012246.db2.gz JUBQGCWCQNFMLR-LBPRGKRZSA-N 0 1 335.245 4.133 20 10 EICDMN CC[N@@H+](Cc1ccc(Br)cc1[O-])[C@@H](C)c1cccnc1 ZINC000825934510 1055012262 /nfs/dbraw/zinc/01/22/62/1055012262.db2.gz JUBQGCWCQNFMLR-LBPRGKRZSA-N 0 1 335.245 4.133 20 10 EICDMN COc1cccc(CNC(C)(C)c2nc3cc(Cl)ccc3o2)c1O ZINC000877668452 1055104665 /nfs/dbraw/zinc/10/46/65/1055104665.db2.gz IYXJBJMFOLFGPI-UHFFFAOYSA-N 0 1 346.814 4.220 20 10 EICDMN COc1cccc(CN[C@@H](C)c2nc(-c3ccccc3)cs2)c1O ZINC000107322168 1055223199 /nfs/dbraw/zinc/22/31/99/1055223199.db2.gz WXSANSRMCKBGQP-ZDUSSCGKSA-N 0 1 340.448 4.375 20 10 EICDMN CC(C)n1cc2c(n1)[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)CCC2 ZINC000765822358 1055745684 /nfs/dbraw/zinc/74/56/84/1055745684.db2.gz ZXMKIUFWMCVJRP-KXBFYZLASA-N 0 1 326.488 4.258 20 10 EICDMN CO[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)c1cccc(Cl)c1 ZINC000742387064 1058586847 /nfs/dbraw/zinc/58/68/47/1058586847.db2.gz DBRRHCSMSUCTKU-INIZCTEOSA-N 0 1 326.223 4.176 20 10 EICDMN CO[C@H](C[NH2+]Cc1cc(Cl)ccc1[O-])c1ccc(Cl)cc1 ZINC000742377461 1058603205 /nfs/dbraw/zinc/60/32/05/1058603205.db2.gz MFJXZEATQGIOKU-MRXNPFEDSA-N 0 1 326.223 4.176 20 10 EICDMN CN(Cc1nc2cc(C(F)(F)F)ccc2o1)Cc1ccccc1O ZINC000766884662 1061037969 /nfs/dbraw/zinc/03/79/69/1061037969.db2.gz DEVMHFVCYSECBS-UHFFFAOYSA-N 0 1 336.313 4.184 20 10 EICDMN COc1cccc([C@@H](C)[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC000691441929 1061206027 /nfs/dbraw/zinc/20/60/27/1061206027.db2.gz YVIDHLZJIPPSPO-LLVKDONJSA-N 0 1 336.229 4.014 20 10 EICDMN CCCOc1ccc(CNCc2cc(-c3ccccc3)on2)c(O)c1 ZINC000236951201 1032840157 /nfs/dbraw/zinc/84/01/57/1032840157.db2.gz GRFIWDXVEVSUAG-UHFFFAOYSA-N 0 1 338.407 4.126 20 10 EICDMN C[C@@H](CCc1ccco1)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000756356384 1022344694 /nfs/dbraw/zinc/34/46/94/1022344694.db2.gz AZCPQWJSCPDCEC-RYUDHWBXSA-N 0 1 338.245 4.420 20 10 EICDMN COc1cccc(CN(Cc2ccco2)Cc2cccs2)c1O ZINC000160659967 1022598302 /nfs/dbraw/zinc/59/83/02/1022598302.db2.gz QPPQVHPYRKNURN-UHFFFAOYSA-N 0 1 329.421 4.258 20 10 EICDMN COc1c(F)cccc1CN(C)Cc1ccc(N2CCCC2)cc1 ZINC001143533072 1033070991 /nfs/dbraw/zinc/07/09/91/1033070991.db2.gz NFOSPSBJOXLMTF-UHFFFAOYSA-N 0 1 328.431 4.067 20 10 EICDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@H]2c2cccn2C)c1 ZINC000781895554 1023374755 /nfs/dbraw/zinc/37/47/55/1023374755.db2.gz VARVCWWLKUGFSU-INIZCTEOSA-N 0 1 349.272 4.139 20 10 EICDMN C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)c1cc(Br)ccc1[O-] ZINC000756534682 1023403482 /nfs/dbraw/zinc/40/34/82/1023403482.db2.gz MPQYXOVJAFDKBP-AAEUAGOBSA-N 0 1 332.241 4.145 20 10 EICDMN CN(C)c1ccc(CN(C)Cc2cnc(-c3ccco3)s2)cc1 ZINC000194292897 1023759000 /nfs/dbraw/zinc/75/90/00/1023759000.db2.gz OTPRSHMGHZTYJC-UHFFFAOYSA-N 0 1 327.453 4.101 20 10 EICDMN CC[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000377799465 1023763723 /nfs/dbraw/zinc/76/37/23/1023763723.db2.gz VCPRFKRESMCZTH-ZWNOBZJWSA-N 0 1 340.254 4.020 20 10 EICDMN CC[C@H]([NH2+]Cc1ccc(C)c(C)n1)c1cc(Br)ccc1[O-] ZINC000313814624 1024330795 /nfs/dbraw/zinc/33/07/95/1024330795.db2.gz BSBJXHMTERYBLQ-INIZCTEOSA-N 0 1 349.272 4.407 20 10 EICDMN [O-]c1cccc2c(N3CC=C(c4c[nH]c5ncccc45)CC3)cc[nH+]c12 ZINC000684567101 1024802434 /nfs/dbraw/zinc/80/24/34/1024802434.db2.gz BGGZNZXZHSLPKB-UHFFFAOYSA-N 0 1 342.402 4.110 20 10 EICDMN [O-]c1ccc(Cl)cc1C[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000105482340 1025383765 /nfs/dbraw/zinc/38/37/65/1025383765.db2.gz HIWQVRIUDCHPCS-UHFFFAOYSA-N 0 1 346.789 4.172 20 10 EICDMN CC[C@H](C)c1nc([C@@H](C)N[C@@H](C)c2ccc(N(C)CC)cc2)n[nH]1 ZINC000277256326 1025406750 /nfs/dbraw/zinc/40/67/50/1025406750.db2.gz OLMXYEPXSBKCCE-SOUVJXGZSA-N 0 1 329.492 4.186 20 10 EICDMN CCC[N@H+](Cc1ccccc1O)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC001167521432 1025908735 /nfs/dbraw/zinc/90/87/35/1025908735.db2.gz BXKJOBHMIYJXIZ-UHFFFAOYSA-N 0 1 347.842 4.366 20 10 EICDMN CCC[N@@H+](Cc1ccccc1O)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC001167521432 1025908769 /nfs/dbraw/zinc/90/87/69/1025908769.db2.gz BXKJOBHMIYJXIZ-UHFFFAOYSA-N 0 1 347.842 4.366 20 10 EICDMN COc1ccc(O)c([C@H](C)N[C@@H](C)c2nc(C(F)(F)F)cs2)c1 ZINC000279450533 1026435752 /nfs/dbraw/zinc/43/57/52/1026435752.db2.gz IGKGIPYWMPKYGB-IUCAKERBSA-N 0 1 346.374 4.288 20 10 EICDMN CC[C@H](NCc1ccn(-c2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000163188927 1027357949 /nfs/dbraw/zinc/35/79/49/1027357949.db2.gz WZQMOBOPAKSZFM-NRFANRHFSA-N 0 1 334.467 4.179 20 10 EICDMN Cc1cc([O-])c(C[NH2+]Cc2cccc(OCC(F)F)c2)c(Cl)c1 ZINC000840891023 1027570544 /nfs/dbraw/zinc/57/05/44/1027570544.db2.gz UFGXWYNQNNKFRH-UHFFFAOYSA-N 0 1 341.785 4.288 20 10 EICDMN CC[N@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@@H](O)c1ccc(C)cc1 ZINC001204608012 1028807751 /nfs/dbraw/zinc/80/77/51/1028807751.db2.gz CKAITKWIPHFDLN-GOSISDBHSA-N 0 1 337.822 4.049 20 10 EICDMN Cc1ccc(O)c([C@H](C)NCc2nnc(-c3ccccc3)s2)c1 ZINC000186105138 1030249350 /nfs/dbraw/zinc/24/93/50/1030249350.db2.gz JOWUBWKLBOCXQZ-ZDUSSCGKSA-N 0 1 325.437 4.070 20 10 EICDMN C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc2ccccc2c1[O-] ZINC000192709395 1030714454 /nfs/dbraw/zinc/71/44/54/1030714454.db2.gz OFZBVWYCSJSGFR-MRXNPFEDSA-N 0 1 347.462 4.260 20 10 EICDMN CC[C@@H]([NH2+]Cc1ccc2cn(C)nc2c1)c1cc(Cl)ccc1[O-] ZINC000527961960 1031002792 /nfs/dbraw/zinc/00/27/92/1031002792.db2.gz KBTPZYYQASZDPH-MRXNPFEDSA-N 0 1 329.831 4.173 20 10 EICDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](c2ccccn2)C2CCC2)c1[O-] ZINC000528656613 1031721991 /nfs/dbraw/zinc/72/19/91/1031721991.db2.gz IBIWPKSGIDHENY-SFHVURJKSA-N 0 1 344.842 4.274 20 10 EICDMN CN(Cc1ccc(N2CCCCC2)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000015571544 1034632551 /nfs/dbraw/zinc/63/25/51/1034632551.db2.gz FCQBLSLVWDURQK-UHFFFAOYSA-N 0 1 339.439 4.217 20 10 EICDMN CC[C@@H](NCc1nnc(-c2ccccc2)s1)c1ccc(C)cc1O ZINC000280036839 1035135004 /nfs/dbraw/zinc/13/50/04/1035135004.db2.gz IOKQKAQPEQFWTP-MRXNPFEDSA-N 0 1 339.464 4.460 20 10 EICDMN COCC[N@@H+](Cc1cc(Cl)cc(OC)c1O)[C@@H](C)c1ccccc1 ZINC000761191771 1036010924 /nfs/dbraw/zinc/01/09/24/1036010924.db2.gz BMUNIGZRMCNOLC-AWEZNQCLSA-N 0 1 349.858 4.264 20 10 EICDMN CC[C@@H]([NH2+]CC1(C)CCOCC1)c1cc(Br)ccc1[O-] ZINC000229563576 1037261640 /nfs/dbraw/zinc/26/16/40/1037261640.db2.gz YCJWBMYSGNNORC-CQSZACIVSA-N 0 1 342.277 4.012 20 10 EICDMN Cc1ccc(O)c([C@H](C)NCc2nn(-c3ccccc3)c3c2CCC3)c1 ZINC000273444682 1037467865 /nfs/dbraw/zinc/46/78/65/1037467865.db2.gz ZMMSAFPIJVSFJO-INIZCTEOSA-N 0 1 347.462 4.226 20 10 EICDMN Cc1ccc(O)c([C@@H](C)NCc2c(F)cccc2OC(F)F)c1 ZINC000273457972 1037470544 /nfs/dbraw/zinc/47/05/44/1037470544.db2.gz HLBVGAUPSPJZRK-LLVKDONJSA-N 0 1 325.330 4.292 20 10 EICDMN Cc1noc(C)c1[C@@H](C)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000925006953 1041157115 /nfs/dbraw/zinc/15/71/15/1041157115.db2.gz GIUYAEZHTNJUPW-OAHLLOKOSA-N 0 1 327.472 4.379 20 10 EICDMN Oc1ccccc1CN(Cc1noc2c1CCCC2)C1CCCC1 ZINC000732204337 1043887641 /nfs/dbraw/zinc/88/76/41/1043887641.db2.gz JBLVXFIYMAEXEA-UHFFFAOYSA-N 0 1 326.440 4.204 20 10 EICDMN CC[C@H]([NH2+]CCC1(F)CCC1)c1cc(Br)ccc1[O-] ZINC000702486062 1043958867 /nfs/dbraw/zinc/95/88/67/1043958867.db2.gz BLHXTUOZGSMLNK-ZDUSSCGKSA-N 0 1 330.241 4.478 20 10 EICDMN Cc1cccc(NCc2ccc(F)c(F)c2O)c1Br ZINC000703367227 1044140640 /nfs/dbraw/zinc/14/06/40/1044140640.db2.gz ZMRQWZINNQNFCC-UHFFFAOYSA-N 0 1 328.156 4.353 20 10 EICDMN COc1ccccc1[C@H](C)[NH2+]Cc1c([O-])cccc1Br ZINC000706829868 1044782129 /nfs/dbraw/zinc/78/21/29/1044782129.db2.gz CPFLXKHPDPVZDZ-NSHDSACASA-N 0 1 336.229 4.014 20 10 EICDMN COc1ccccc1[C@H](C)NCc1c(O)cccc1Br ZINC000706829868 1044782144 /nfs/dbraw/zinc/78/21/44/1044782144.db2.gz CPFLXKHPDPVZDZ-NSHDSACASA-N 0 1 336.229 4.014 20 10 EICDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000735324280 1044796049 /nfs/dbraw/zinc/79/60/49/1044796049.db2.gz LUBJQQFZXZEMBV-ZDUSSCGKSA-N 0 1 346.268 4.049 20 10 EICDMN CCN(CC)c1ccc(CNCc2ccc3c(n2)CCCC3)cc1F ZINC000767729327 1045621289 /nfs/dbraw/zinc/62/12/89/1045621289.db2.gz UBIMGPRVXIIHJF-UHFFFAOYSA-N 0 1 341.474 4.236 20 10 EICDMN C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000790935475 1045624440 /nfs/dbraw/zinc/62/44/40/1045624440.db2.gz WTGSFNOVASLJLZ-UZLBHIALSA-N 0 1 325.452 4.185 20 10 EICDMN C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000790935475 1045624451 /nfs/dbraw/zinc/62/44/51/1045624451.db2.gz WTGSFNOVASLJLZ-UZLBHIALSA-N 0 1 325.452 4.185 20 10 EICDMN Fc1cccc(-c2ccc(CNCc3ccc4c(c3)CCO4)o2)c1F ZINC000790954975 1045633798 /nfs/dbraw/zinc/63/37/98/1045633798.db2.gz IRCQRHOILBPPTE-UHFFFAOYSA-N 0 1 341.357 4.450 20 10 EICDMN CCN(Cc1cnc([C@H]2CCCO2)s1)Cc1ccc(N(C)C)cc1 ZINC000768131915 1045722301 /nfs/dbraw/zinc/72/23/01/1045722301.db2.gz BIHZGOUHYIWBFN-GOSISDBHSA-N 0 1 345.512 4.083 20 10 EICDMN CCN(Cc1ccccc1)c1ccc(CN(C)Cc2cnn(C)c2)cc1 ZINC000768199678 1045740026 /nfs/dbraw/zinc/74/00/26/1045740026.db2.gz JALUKXJOPMHPJC-UHFFFAOYSA-N 0 1 348.494 4.079 20 10 EICDMN [O-]c1ccc(Cl)cc1C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000768203484 1045741093 /nfs/dbraw/zinc/74/10/93/1045741093.db2.gz HZXQTTWQXFLUDC-OAHLLOKOSA-N 0 1 337.872 4.288 20 10 EICDMN [O-]c1ccc(Cl)cc1C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000768203484 1045741110 /nfs/dbraw/zinc/74/11/10/1045741110.db2.gz HZXQTTWQXFLUDC-OAHLLOKOSA-N 0 1 337.872 4.288 20 10 EICDMN COc1cccc(CN(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)c1O ZINC000768256338 1045766379 /nfs/dbraw/zinc/76/63/79/1045766379.db2.gz CLKZQTJGTWZLSV-SUMWQHHRSA-N 0 1 327.424 4.282 20 10 EICDMN Oc1c(Cl)cccc1CN1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000768530537 1045816962 /nfs/dbraw/zinc/81/69/62/1045816962.db2.gz JTTLONNTUKMAEK-MRXNPFEDSA-N 0 1 338.234 4.273 20 10 EICDMN C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000768931954 1045861724 /nfs/dbraw/zinc/86/17/24/1045861724.db2.gz XIJUOQKHEAIXDA-GFCCVEGCSA-N 0 1 348.240 4.110 20 10 EICDMN CCC[N@@H+](Cc1ccc(N(C)C(C)C)nc1)Cc1ccccc1O ZINC000792164493 1045871033 /nfs/dbraw/zinc/87/10/33/1045871033.db2.gz JCDSDZUVBVCKFW-UHFFFAOYSA-N 0 1 327.472 4.044 20 10 EICDMN CC(C)(C)[N@H+]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000769188072 1045892579 /nfs/dbraw/zinc/89/25/79/1045892579.db2.gz NIUYGKYBWAUQQH-UHFFFAOYSA-N 0 1 331.287 4.005 20 10 EICDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000769245417 1045902250 /nfs/dbraw/zinc/90/22/50/1045902250.db2.gz RJICKKCUSYESAJ-MJGOQNOKSA-N 0 1 331.843 4.134 20 10 EICDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000769245417 1045902266 /nfs/dbraw/zinc/90/22/66/1045902266.db2.gz RJICKKCUSYESAJ-MJGOQNOKSA-N 0 1 331.843 4.134 20 10 EICDMN Cc1ccc(C[N@@H+](C)Cc2cc(Br)ccc2[O-])s1 ZINC000769315503 1045916567 /nfs/dbraw/zinc/91/65/67/1045916567.db2.gz BZLAPYWOLPKALN-UHFFFAOYSA-N 0 1 326.259 4.157 20 10 EICDMN Cc1ccc(C[N@H+](C)Cc2cc(Br)ccc2[O-])s1 ZINC000769315503 1045916574 /nfs/dbraw/zinc/91/65/74/1045916574.db2.gz BZLAPYWOLPKALN-UHFFFAOYSA-N 0 1 326.259 4.157 20 10 EICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+](CCCO)Cc1ccccc1 ZINC000769327260 1045924911 /nfs/dbraw/zinc/92/49/11/1045924911.db2.gz VDVWHCNQZCIGDI-UHFFFAOYSA-N 0 1 340.250 4.084 20 10 EICDMN C[C@H](NCc1cccnc1OC1CCCC1)c1ccc(N(C)C)cc1 ZINC000153881167 1045945002 /nfs/dbraw/zinc/94/50/02/1045945002.db2.gz QXXSIMAJLILBRL-INIZCTEOSA-N 0 1 339.483 4.320 20 10 EICDMN CCOc1ccc(CN2C[C@H](c3ccccc3C)OC[C@H]2C)c(O)c1 ZINC000769476117 1045991485 /nfs/dbraw/zinc/99/14/85/1045991485.db2.gz WHWBONVTIAZHLC-IIBYNOLFSA-N 0 1 341.451 4.061 20 10 EICDMN [O-]c1ccc(Br)cc1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000769499924 1045998281 /nfs/dbraw/zinc/99/82/81/1045998281.db2.gz XTYKGXTYRPOKEI-DZGCQCFKSA-N 0 1 342.302 4.015 20 10 EICDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000769499924 1045998267 /nfs/dbraw/zinc/99/82/67/1045998267.db2.gz XTYKGXTYRPOKEI-DZGCQCFKSA-N 0 1 342.302 4.015 20 10 EICDMN C[C@@H]1C[N@@H+](Cc2cccc(Br)c2[O-])[C@H]1c1ccccc1 ZINC000769538304 1046013478 /nfs/dbraw/zinc/01/34/78/1046013478.db2.gz COKRTZPKGKUZDQ-MLGOLLRUSA-N 0 1 332.241 4.348 20 10 EICDMN CCSCC[C@@H](C)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000769552085 1046020398 /nfs/dbraw/zinc/02/03/98/1046020398.db2.gz ZHPJSISDDMAQEY-LLVKDONJSA-N 0 1 332.307 4.118 20 10 EICDMN CCSCC[C@@H](C)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000769552085 1046020395 /nfs/dbraw/zinc/02/03/95/1046020395.db2.gz ZHPJSISDDMAQEY-LLVKDONJSA-N 0 1 332.307 4.118 20 10 EICDMN C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccc(Br)cc1[O-] ZINC000757641195 1046058344 /nfs/dbraw/zinc/05/83/44/1046058344.db2.gz YUIXXIBGWMBAOD-VHSXEESVSA-N 0 1 339.208 4.101 20 10 EICDMN Cc1noc(C)c1[C@@H](C)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000792989222 1046121140 /nfs/dbraw/zinc/12/11/40/1046121140.db2.gz HVKRLRBJCKNIAR-SNVBAGLBSA-N 0 1 341.377 4.227 20 10 EICDMN CN(C)c1ccc(CNc2ccc3c(c2)CN(C)C3)c(C(F)(F)F)c1 ZINC000793059656 1046139880 /nfs/dbraw/zinc/13/98/80/1046139880.db2.gz QFELMSNLSKNUDC-UHFFFAOYSA-N 0 1 349.400 4.329 20 10 EICDMN COc1ccc(CC[N@H+](Cc2ccccc2[O-])CC(C)C)cc1OC ZINC000770509996 1046210392 /nfs/dbraw/zinc/21/03/92/1046210392.db2.gz FTDXLBMUZHSJCQ-UHFFFAOYSA-N 0 1 343.467 4.110 20 10 EICDMN COc1ccc(CC[N@@H+](Cc2ccccc2[O-])CC(C)C)cc1OC ZINC000770509996 1046210381 /nfs/dbraw/zinc/21/03/81/1046210381.db2.gz FTDXLBMUZHSJCQ-UHFFFAOYSA-N 0 1 343.467 4.110 20 10 EICDMN CC[C@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1cc(Cl)ccc1[O-] ZINC000793567960 1046295923 /nfs/dbraw/zinc/29/59/23/1046295923.db2.gz MVNMGMDFHMBSJF-ZDUSSCGKSA-N 0 1 342.773 4.283 20 10 EICDMN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H](CSC)C3)c2c1 ZINC000793794538 1046334753 /nfs/dbraw/zinc/33/47/53/1046334753.db2.gz XTBFXPYJCBDDSK-AWEZNQCLSA-N 0 1 331.481 4.129 20 10 EICDMN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H](CSC)C3)c2c1 ZINC000793794538 1046334765 /nfs/dbraw/zinc/33/47/65/1046334765.db2.gz XTBFXPYJCBDDSK-AWEZNQCLSA-N 0 1 331.481 4.129 20 10 EICDMN CN(C)c1ccc(CN(C)Cc2ccc(CSC(F)F)o2)cc1 ZINC000771934908 1046528567 /nfs/dbraw/zinc/52/85/67/1046528567.db2.gz HFYXHQABJSXBPK-UHFFFAOYSA-N 0 1 340.439 4.433 20 10 EICDMN Cc1cccc2nc(CN(Cc3ccc(N(C)C)cc3)C(C)C)cn21 ZINC000917075017 1046637148 /nfs/dbraw/zinc/63/71/48/1046637148.db2.gz OOBKAKHRPIXTCB-UHFFFAOYSA-N 0 1 336.483 4.119 20 10 EICDMN [O-]c1cccc2c(NCc3cc(Br)ccc3O)cc[nH+]c12 ZINC000804828716 1046818535 /nfs/dbraw/zinc/81/85/35/1046818535.db2.gz XNUDNQMPSYYMKQ-UHFFFAOYSA-N 0 1 345.196 4.021 20 10 EICDMN Cc1cscc1C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000786929694 1046887965 /nfs/dbraw/zinc/88/79/65/1046887965.db2.gz URWUWKZHFRGRRN-SNVBAGLBSA-N 0 1 326.259 4.375 20 10 EICDMN COCC(C)(C)CCC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000806176297 1047180582 /nfs/dbraw/zinc/18/05/82/1047180582.db2.gz NPGCIFZFXHKKIH-LBPRGKRZSA-N 0 1 344.293 4.258 20 10 EICDMN CC[C@H]([NH2+]CCCN1CCCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806127676 1047146563 /nfs/dbraw/zinc/14/65/63/1047146563.db2.gz IUDAUVMPLVJAPW-HNNXBMFYSA-N 0 1 331.287 4.226 20 10 EICDMN C[C@H](N[C@H]1CCCC1(F)F)c1cc(Br)cc(F)c1O ZINC000806179229 1047203975 /nfs/dbraw/zinc/20/39/75/1047203975.db2.gz BLLZXQBGMORRPY-CPCISQLKSA-N 0 1 338.167 4.132 20 10 EICDMN C[C@H]([NH2+][C@H]1CCCC1(F)F)c1cc(Br)cc(F)c1[O-] ZINC000806179229 1047203999 /nfs/dbraw/zinc/20/39/99/1047203999.db2.gz BLLZXQBGMORRPY-CPCISQLKSA-N 0 1 338.167 4.132 20 10 EICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NC1CCC2(CC2)CC1 ZINC000807179444 1047426555 /nfs/dbraw/zinc/42/65/55/1047426555.db2.gz BNKRENAUSQXUPT-UHFFFAOYSA-N 0 1 343.254 4.221 20 10 EICDMN [O-]c1ccc2oc3c(c2c1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1)CCCC3 ZINC000789510620 1047435640 /nfs/dbraw/zinc/43/56/40/1047435640.db2.gz BBSFUVRJGCWPHG-VQIMIIECSA-N 0 1 341.451 4.161 20 10 EICDMN [O-]c1ccc2oc3c(c2c1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1)CCCC3 ZINC000789510620 1047435635 /nfs/dbraw/zinc/43/56/35/1047435635.db2.gz BBSFUVRJGCWPHG-VQIMIIECSA-N 0 1 341.451 4.161 20 10 EICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H](F)c1ccccc1 ZINC000807840773 1047511964 /nfs/dbraw/zinc/51/19/64/1047511964.db2.gz JJDUDIWGIGCWJD-ZDUSSCGKSA-N 0 1 328.170 4.026 20 10 EICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCC(F)(F)C1 ZINC000807835600 1047518463 /nfs/dbraw/zinc/51/84/63/1047518463.db2.gz JEBYVGNQPNAOHE-MRVPVSSYSA-N 0 1 338.181 4.141 20 10 EICDMN Cc1ccc([C@@H](C)C(=O)NCc2cc(Cl)cc(Cl)c2O)o1 ZINC000807838446 1047523506 /nfs/dbraw/zinc/52/35/06/1047523506.db2.gz RTJJBZMHSZUQNZ-SECBINFHSA-N 0 1 328.195 4.020 20 10 EICDMN CCn1c(C)cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1C ZINC000807837615 1047523612 /nfs/dbraw/zinc/52/36/12/1047523612.db2.gz XVHYARVBSFUWFF-UHFFFAOYSA-N 0 1 341.238 4.067 20 10 EICDMN Cc1oc(C)c(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1C ZINC000807838157 1047523753 /nfs/dbraw/zinc/52/37/53/1047523753.db2.gz LSIDWBGKAVNQQK-UHFFFAOYSA-N 0 1 328.195 4.147 20 10 EICDMN CC(C)c1cccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c1 ZINC000808113883 1047608143 /nfs/dbraw/zinc/60/81/43/1047608143.db2.gz KHZMZNIWJHJPMG-UHFFFAOYSA-N 0 1 343.807 4.109 20 10 EICDMN COc1cc(O)c(CN2CC(C)(C)[C@@H]2c2cccs2)cc1OC ZINC000808223419 1047631053 /nfs/dbraw/zinc/63/10/53/1047631053.db2.gz MCSRVFGTRUJFNX-KRWDZBQOSA-N 0 1 333.453 4.054 20 10 EICDMN CC[C@H]([NH2+]CC1(CF)CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000824795362 1047968601 /nfs/dbraw/zinc/96/86/01/1047968601.db2.gz WNDNHQJARRQBFB-AWEZNQCLSA-N 0 1 349.368 4.218 20 10 EICDMN CC[C@H](N[C@H]1C[C@H](C)n2ccnc21)c1ccc(C(F)(F)F)cc1O ZINC000825017094 1048020247 /nfs/dbraw/zinc/02/02/47/1048020247.db2.gz LLPMJEOAQGTFMZ-BPNCWPANSA-N 0 1 339.361 4.354 20 10 EICDMN CC[C@@H]([NH2+][C@H](C)c1cnn(CC)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000825129718 1048040610 /nfs/dbraw/zinc/04/06/10/1048040610.db2.gz BLYTYESJUJNXTO-IAQYHMDHSA-N 0 1 341.377 4.429 20 10 EICDMN Cc1cc([O-])c(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)cc1Cl ZINC000825150888 1048045204 /nfs/dbraw/zinc/04/52/04/1048045204.db2.gz LLRNHBQJUOICEZ-OALUTQOASA-N 0 1 331.843 4.364 20 10 EICDMN Cc1cc(Cl)cc([C@H](C)N[C@H](C)c2nnc3n2CCCCC3)c1O ZINC000808674634 1048045487 /nfs/dbraw/zinc/04/54/87/1048045487.db2.gz KXYBMWVZRDPSSL-QWHCGFSZSA-N 0 1 348.878 4.084 20 10 EICDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000825240145 1048057196 /nfs/dbraw/zinc/05/71/96/1048057196.db2.gz DLOLYRPQIMEJES-OAHLLOKOSA-N 0 1 336.204 4.071 20 10 EICDMN Cc1cc(Cl)cc([C@H](C)Nc2cnn(-c3ccncc3)c2)c1O ZINC000808712488 1048058183 /nfs/dbraw/zinc/05/81/83/1048058183.db2.gz DUOPVNYBUDITRY-LBPRGKRZSA-N 0 1 328.803 4.108 20 10 EICDMN [O-]c1cc(Br)ccc1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000825291045 1048062576 /nfs/dbraw/zinc/06/25/76/1048062576.db2.gz CNDLOWAFTNZRGC-UHFFFAOYSA-N 0 1 336.204 4.073 20 10 EICDMN CC[C@](C)([NH2+]Cc1ccc(Br)cc1[O-])c1nccs1 ZINC000825292581 1048066926 /nfs/dbraw/zinc/06/69/26/1048066926.db2.gz YUJLWMXDWSPCLE-AWEZNQCLSA-N 0 1 341.274 4.026 20 10 EICDMN Cc1cc([O-])c(C[NH2+][C@H](C)C[C@@H](O)c2cccs2)cc1Cl ZINC000825396570 1048086774 /nfs/dbraw/zinc/08/67/74/1048086774.db2.gz VBIIPCVFAOTIRL-IAQYHMDHSA-N 0 1 325.861 4.017 20 10 EICDMN Cc1cc(CN(C)Cc2ccc(Br)o2)ccc1N(C)C ZINC000815010769 1048295926 /nfs/dbraw/zinc/29/59/26/1048295926.db2.gz YXBSZJLHGJNUQP-UHFFFAOYSA-N 0 1 337.261 4.049 20 10 EICDMN CCc1nocc1CNCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000815139241 1048363961 /nfs/dbraw/zinc/36/39/61/1048363961.db2.gz CHCIQCOGNDRGFG-AWEZNQCLSA-N 0 1 347.890 4.417 20 10 EICDMN [O-]c1ccc(Cl)cc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000809699995 1048466025 /nfs/dbraw/zinc/46/60/25/1048466025.db2.gz VPEBRQGUGGHARZ-QYZOEREBSA-N 0 1 343.854 4.050 20 10 EICDMN [O-]c1ccc(Cl)cc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000809699995 1048466045 /nfs/dbraw/zinc/46/60/45/1048466045.db2.gz VPEBRQGUGGHARZ-QYZOEREBSA-N 0 1 343.854 4.050 20 10 EICDMN Cc1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])cc1Cl ZINC000809713087 1048492190 /nfs/dbraw/zinc/49/21/90/1048492190.db2.gz IAJQRTPFWVROLM-UHFFFAOYSA-N 0 1 340.648 4.406 20 10 EICDMN C[C@@H](C[N@@H+](Cc1cccc(Cl)c1[O-])[C@@H](C)CO)c1ccccc1 ZINC000809774867 1048504854 /nfs/dbraw/zinc/50/48/54/1048504854.db2.gz SNEVDSPISWZILO-GJZGRUSLSA-N 0 1 333.859 4.032 20 10 EICDMN C[C@H]([NH2+]C1CCN(C2CCC2)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815570503 1048508065 /nfs/dbraw/zinc/50/80/65/1048508065.db2.gz DOIBKDSOGATZMU-LBPRGKRZSA-N 0 1 342.405 4.079 20 10 EICDMN CCN(CC)c1ccc(CN(Cc2ccccn2)C2CC2)cc1F ZINC000809764814 1048524584 /nfs/dbraw/zinc/52/45/84/1048524584.db2.gz ZYTYOAZKPOVWRH-UHFFFAOYSA-N 0 1 327.447 4.232 20 10 EICDMN Cc1nnc(CN[C@@H](CCc2ccccc2)c2ccccc2O)s1 ZINC000815615882 1048541896 /nfs/dbraw/zinc/54/18/96/1048541896.db2.gz ZYXFFBJQJHYCTK-KRWDZBQOSA-N 0 1 339.464 4.016 20 10 EICDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000844937068 1048554886 /nfs/dbraw/zinc/55/48/86/1048554886.db2.gz LIYSAXHDGIKILD-INIZCTEOSA-N 0 1 335.488 4.282 20 10 EICDMN C[C@]1(F)CCCCN(Cc2cc(Br)c(F)cc2O)C1 ZINC001144298298 1048573540 /nfs/dbraw/zinc/57/35/40/1048573540.db2.gz AYWLTXZGTDFDMZ-AWEZNQCLSA-N 0 1 334.204 4.008 20 10 EICDMN C[C@@]1(F)CCC[N@@H+](Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144298565 1048574393 /nfs/dbraw/zinc/57/43/93/1048574393.db2.gz GSJMZSLDYOIPQM-CQSZACIVSA-N 0 1 334.204 4.008 20 10 EICDMN CC[C@@H]([NH2+]Cc1c(C)nn(C)c1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215533 1048684630 /nfs/dbraw/zinc/68/46/30/1048684630.db2.gz YYYXUYKLLIUSAO-OAHLLOKOSA-N 0 1 341.377 4.002 20 10 EICDMN CC[C@H]([NH2+]C[C@@H](O)c1ccc(C)o1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219949 1048688439 /nfs/dbraw/zinc/68/84/39/1048688439.db2.gz NXHTWRMZOFBINT-DZGCQCFKSA-N 0 1 343.345 4.087 20 10 EICDMN CC[C@H](C[C@H](C)CO)[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220875 1048688918 /nfs/dbraw/zinc/68/89/18/1048688918.db2.gz GGKLKOCMHYMGOF-NJZAAPMLSA-N 0 1 333.394 4.249 20 10 EICDMN CC[C@@H]([NH2+]C[C@@H](CCO)CC(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810221071 1048690053 /nfs/dbraw/zinc/69/00/53/1048690053.db2.gz KLMPPZORGMAKCN-XJKSGUPXSA-N 0 1 347.421 4.496 20 10 EICDMN CC[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(C(F)(F)F)cc1[O-] ZINC000810224729 1048692541 /nfs/dbraw/zinc/69/25/41/1048692541.db2.gz XGNBLRPUWQELOE-MPTYRVRUSA-N 0 1 343.389 4.409 20 10 EICDMN CC[C@@H]([NH2+]CCCc1ccccn1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228784 1048695935 /nfs/dbraw/zinc/69/59/35/1048695935.db2.gz YTEYBTSNEXDRPO-MRXNPFEDSA-N 0 1 338.373 4.480 20 10 EICDMN CC[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228868 1048696061 /nfs/dbraw/zinc/69/60/61/1048696061.db2.gz NAYQLKKWTYRYMX-NDPMZMCLSA-N 0 1 331.378 4.408 20 10 EICDMN CC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228870 1048696514 /nfs/dbraw/zinc/69/65/14/1048696514.db2.gz NAYQLKKWTYRYMX-WJNVRWDZSA-N 0 1 331.378 4.408 20 10 EICDMN CC[C@@H]([NH2+]C[C@H](OC)C(F)(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000810232336 1048699140 /nfs/dbraw/zinc/69/91/40/1048699140.db2.gz YHHFNUMJUPUVMQ-PWSUYJOCSA-N 0 1 345.283 4.029 20 10 EICDMN COc1ccc([C@@H]2CCCN2Cc2cc(F)cc(C(C)=O)c2O)cc1 ZINC000748046910 1048701641 /nfs/dbraw/zinc/70/16/41/1048701641.db2.gz WVCUGGIDRHAOEL-IBGZPJMESA-N 0 1 343.398 4.080 20 10 EICDMN C[C@@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1cc(Cl)ccc1[O-] ZINC000810253477 1048731371 /nfs/dbraw/zinc/73/13/71/1048731371.db2.gz VBNDFHLCELRAGS-DIFFPNOSSA-N 0 1 337.872 4.246 20 10 EICDMN C[C@@H]1C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CC(C)(C)O1 ZINC000920863699 1048797509 /nfs/dbraw/zinc/79/75/09/1048797509.db2.gz ATGZDHGSVQICPN-CYBMUJFWSA-N 0 1 329.440 4.017 20 10 EICDMN C[C@@H]1C[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC(C)(C)O1 ZINC000920863699 1048797529 /nfs/dbraw/zinc/79/75/29/1048797529.db2.gz ATGZDHGSVQICPN-CYBMUJFWSA-N 0 1 329.440 4.017 20 10 EICDMN C[C@@H]1C[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC(C)(C)O1 ZINC000920863699 1048797546 /nfs/dbraw/zinc/79/75/46/1048797546.db2.gz ATGZDHGSVQICPN-CYBMUJFWSA-N 0 1 329.440 4.017 20 10 EICDMN [O-]c1c(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)ccc2ccccc21 ZINC000816483182 1048812090 /nfs/dbraw/zinc/81/20/90/1048812090.db2.gz IMZGNYKHTHELGJ-QFIPXVFZSA-N 0 1 347.458 4.491 20 10 EICDMN Oc1c(CN2CCO[C@H](c3cccc(F)c3)C2)ccc2ccccc21 ZINC000816502071 1048822135 /nfs/dbraw/zinc/82/21/35/1048822135.db2.gz MQRKUYZMPUUMMX-FQEVSTJZSA-N 0 1 337.394 4.258 20 10 EICDMN COc1c2ccccc2oc1CN[C@@H](C)c1cccc(OC)c1O ZINC000846163549 1048826712 /nfs/dbraw/zinc/82/67/12/1048826712.db2.gz BJFBIALOEPEUID-LBPRGKRZSA-N 0 1 327.380 4.006 20 10 EICDMN C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816548465 1048828183 /nfs/dbraw/zinc/82/81/83/1048828183.db2.gz ITLQYXGMRDCQHX-DYESRHJHSA-N 0 1 346.474 4.471 20 10 EICDMN COc1ccc2c(c1)OCC[C@H]2[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816553747 1048833734 /nfs/dbraw/zinc/83/37/34/1048833734.db2.gz FXCAJRKFWZTCDY-LJQANCHMSA-N 0 1 335.403 4.167 20 10 EICDMN Oc1c(CNCc2c(F)c(F)cc(F)c2F)ccc2ccccc21 ZINC000816555856 1048833782 /nfs/dbraw/zinc/83/37/82/1048833782.db2.gz RQWGORPUANGKPW-UHFFFAOYSA-N 0 1 335.300 4.392 20 10 EICDMN C[C@@H](NCc1cc(Cl)c(F)cc1O)c1noc(-c2ccccc2)n1 ZINC000816556219 1048834041 /nfs/dbraw/zinc/83/40/41/1048834041.db2.gz CPDNIQSMXCLBOD-SNVBAGLBSA-N 0 1 347.777 4.086 20 10 EICDMN C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816565973 1048837573 /nfs/dbraw/zinc/83/75/73/1048837573.db2.gz HVMKAUVKHWIJJD-SCZZXKLOSA-N 0 1 325.733 4.348 20 10 EICDMN C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])[C@](C)(O)c1ccccc1 ZINC000846189710 1048838704 /nfs/dbraw/zinc/83/87/04/1048838704.db2.gz RSJHQTNYPWZBJD-DMPWYTOCSA-N 0 1 335.447 4.492 20 10 EICDMN C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816573760 1048838854 /nfs/dbraw/zinc/83/88/54/1048838854.db2.gz JWMLIZPMYCLYOI-SCZZXKLOSA-N 0 1 325.733 4.348 20 10 EICDMN [O-]c1c(C[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)ccc2ccccc21 ZINC000816601370 1048841940 /nfs/dbraw/zinc/84/19/40/1048841940.db2.gz ZIHAYBPINWLOBG-HSZRJFAPSA-N 0 1 347.458 4.072 20 10 EICDMN [O-]c1c(C[N@@H+]2CCC[C@@](CO)(c3ccccc3)C2)ccc2ccccc21 ZINC000816601370 1048841948 /nfs/dbraw/zinc/84/19/48/1048841948.db2.gz ZIHAYBPINWLOBG-HSZRJFAPSA-N 0 1 347.458 4.072 20 10 EICDMN [O-]c1c(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)ccc2ccccc12 ZINC000816611940 1048844191 /nfs/dbraw/zinc/84/41/91/1048844191.db2.gz BFRSYLYIXBXDPP-QGZVFWFLSA-N 0 1 341.838 4.065 20 10 EICDMN CC[C@@H]([NH2+]CCCC1(O)CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817415024 1048966630 /nfs/dbraw/zinc/96/66/30/1048966630.db2.gz RPBYLLSGGIJONL-CQSZACIVSA-N 0 1 331.378 4.147 20 10 EICDMN CC[C@H]([NH2+]Cc1cc(C)cc(N)c1)c1cc(Br)ccc1[O-] ZINC000817981338 1049078705 /nfs/dbraw/zinc/07/87/05/1049078705.db2.gz RECPSVKREFNZBJ-INIZCTEOSA-N 0 1 349.272 4.286 20 10 EICDMN COC(OC)c1ccc(F)c(CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000818203992 1049106814 /nfs/dbraw/zinc/10/68/14/1049106814.db2.gz KDQSJYUJLNAWTA-AWEZNQCLSA-N 0 1 346.446 4.034 20 10 EICDMN CC[C@H](NCc1nc2cc(F)ccc2n1C)c1ccc(N(C)C)cc1 ZINC000772999311 1049504064 /nfs/dbraw/zinc/50/40/64/1049504064.db2.gz ITQYASNDUQOGDS-KRWDZBQOSA-N 0 1 340.446 4.019 20 10 EICDMN C[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1ccc2ccccc2c1[O-] ZINC000812735440 1049554101 /nfs/dbraw/zinc/55/41/01/1049554101.db2.gz RQTWNXRFVGOECA-CQSZACIVSA-N 0 1 331.419 4.283 20 10 EICDMN C[C@H](NCc1cccc(F)n1)c1ccc(N2CCCCCC2)cc1 ZINC000773093688 1049578117 /nfs/dbraw/zinc/57/81/17/1049578117.db2.gz FSCDYRGGOJRPAT-INIZCTEOSA-N 0 1 327.447 4.452 20 10 EICDMN CC(C)c1cc(NCc2cc3ccccc3cc2O)nc(N(C)C)n1 ZINC001171402841 1049624691 /nfs/dbraw/zinc/62/46/91/1049624691.db2.gz TUANQCNMAAOGSQ-UHFFFAOYSA-N 0 1 336.439 4.137 20 10 EICDMN CCOCc1cc(CNCc2ccc([C@H]3C[C@@H]3C)o2)ccc1OC ZINC000747853757 1049769844 /nfs/dbraw/zinc/76/98/44/1049769844.db2.gz GTJJBULAXASBDP-KSSFIOAISA-N 0 1 329.440 4.238 20 10 EICDMN Cc1ccoc1CNCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000813791038 1049817896 /nfs/dbraw/zinc/81/78/96/1049817896.db2.gz PCOGSIXFXYCPIF-UHFFFAOYSA-N 0 1 332.447 4.441 20 10 EICDMN COc1ccc(CNCc2ccc(Oc3ccccc3)nc2)cc1C ZINC001177575369 1050257826 /nfs/dbraw/zinc/25/78/26/1050257826.db2.gz IGINREHEMXURJQ-UHFFFAOYSA-N 0 1 334.419 4.481 20 10 EICDMN C[C@@H]1C[C@H]1c1ccc(CNCc2ccc(N3CCSCC3)cc2)o1 ZINC000069716543 1050313309 /nfs/dbraw/zinc/31/33/09/1050313309.db2.gz IUADUXRAYBNYCQ-DNVCBOLYSA-N 0 1 342.508 4.246 20 10 EICDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001173216023 1050350308 /nfs/dbraw/zinc/35/03/08/1050350308.db2.gz BLWMDFOUBRYDKF-CQSZACIVSA-N 0 1 336.391 4.174 20 10 EICDMN CCN(C)c1ccc(CNC2(c3nc(C)cs3)CCCC2)cc1 ZINC000773794696 1050620452 /nfs/dbraw/zinc/62/04/52/1050620452.db2.gz WIACKSUNYOQBHR-UHFFFAOYSA-N 0 1 329.513 4.467 20 10 EICDMN CCOc1ccc(C[N@@H+](Cc2cc(F)cc(F)c2[O-])C(C)C)cc1 ZINC001180011602 1050854801 /nfs/dbraw/zinc/85/48/01/1050854801.db2.gz PTZJSHGXAOZCNR-UHFFFAOYSA-N 0 1 335.394 4.480 20 10 EICDMN CN(Cc1cccs1)c1ccc(CN2CCOC3(CCC3)C2)cc1 ZINC001180094115 1050866915 /nfs/dbraw/zinc/86/69/15/1050866915.db2.gz YVVSZQFHENVYJM-UHFFFAOYSA-N 0 1 342.508 4.139 20 10 EICDMN C[C@H](c1ccco1)[N@H+](Cc1ccc(Br)cc1[O-])C1CC1 ZINC001180064710 1050872255 /nfs/dbraw/zinc/87/22/55/1050872255.db2.gz SKDFBUCTEZXOTR-LLVKDONJSA-N 0 1 336.229 4.473 20 10 EICDMN C[C@H](c1ccco1)[N@@H+](Cc1ccc(Br)cc1[O-])C1CC1 ZINC001180064710 1050872268 /nfs/dbraw/zinc/87/22/68/1050872268.db2.gz SKDFBUCTEZXOTR-LLVKDONJSA-N 0 1 336.229 4.473 20 10 EICDMN Oc1cc(Br)ccc1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001180076346 1050875663 /nfs/dbraw/zinc/87/56/63/1050875663.db2.gz FPZHWRRPAKCIGF-HNNXBMFYSA-N 0 1 346.268 4.219 20 10 EICDMN [O-]c1cc(Br)ccc1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001180076346 1050875666 /nfs/dbraw/zinc/87/56/66/1050875666.db2.gz FPZHWRRPAKCIGF-HNNXBMFYSA-N 0 1 346.268 4.219 20 10 EICDMN [O-]c1cc(Br)ccc1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001180076346 1050875676 /nfs/dbraw/zinc/87/56/76/1050875676.db2.gz FPZHWRRPAKCIGF-HNNXBMFYSA-N 0 1 346.268 4.219 20 10 EICDMN CCc1cccc(CN2CCc3cc(OC)c(Cl)cc3C2)c1O ZINC001182087493 1051383769 /nfs/dbraw/zinc/38/37/69/1051383769.db2.gz QNHVAXXXGUQNGS-UHFFFAOYSA-N 0 1 331.843 4.175 20 10 EICDMN COc1ccc2c(c1)C1(CC1)CN(Cc1ccc(Cl)cc1O)C2 ZINC001182136747 1051402651 /nfs/dbraw/zinc/40/26/51/1051402651.db2.gz BVOVQYRSHITZHK-UHFFFAOYSA-N 0 1 329.827 4.102 20 10 EICDMN C[C@@H]([NH2+]C1CCN(C2CCC2)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774141972 1051492867 /nfs/dbraw/zinc/49/28/67/1051492867.db2.gz FNHYVHCSPITJJE-LLVKDONJSA-N 0 1 343.298 4.367 20 10 EICDMN CC[C@@H]([NH2+]Cc1cccnc1OC(C)C)c1cc(Cl)ccc1[O-] ZINC000775489804 1051580842 /nfs/dbraw/zinc/58/08/42/1051580842.db2.gz YAKHEMIEVRIRND-MRXNPFEDSA-N 0 1 334.847 4.469 20 10 EICDMN COc1cc(Cl)cc(CN[C@@H](C)c2ccc(F)cc2F)c1O ZINC000273776164 1051634671 /nfs/dbraw/zinc/63/46/71/1051634671.db2.gz RUWFQOBALFTQEE-VIFPVBQESA-N 0 1 327.758 4.183 20 10 EICDMN C[C@]1(Cc2ccccc2F)CCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001182544539 1051636643 /nfs/dbraw/zinc/63/66/43/1051636643.db2.gz QHSTVTPGTUGVOK-LJQANCHMSA-N 0 1 335.369 4.407 20 10 EICDMN CC[C@H]([NH2+][C@@H]1CCCc2nc(C)ncc21)c1cc(Cl)ccc1[O-] ZINC000775508552 1051639346 /nfs/dbraw/zinc/63/93/46/1051639346.db2.gz VQJQHGZCWGQILZ-DOTOQJQBSA-N 0 1 331.847 4.262 20 10 EICDMN CC[C@@H]([NH2+]CCNc1ccccc1)c1cc(Br)ccc1[O-] ZINC000775513358 1051652739 /nfs/dbraw/zinc/65/27/39/1051652739.db2.gz XXYQIQBKINQVCB-MRXNPFEDSA-N 0 1 349.272 4.308 20 10 EICDMN CC[C@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000775521106 1051677910 /nfs/dbraw/zinc/67/79/10/1051677910.db2.gz QQRFZLGEBQTAAF-HKUYNNGSSA-N 0 1 331.843 4.400 20 10 EICDMN C[C@]1(c2cccc(F)c2)CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001182755031 1051685968 /nfs/dbraw/zinc/68/59/68/1051685968.db2.gz PKMPNNALXAXDRE-SFHVURJKSA-N 0 1 337.797 4.487 20 10 EICDMN CC[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000775523728 1051701262 /nfs/dbraw/zinc/70/12/62/1051701262.db2.gz MWBYFAYNQNWPNQ-GFCCVEGCSA-N 0 1 347.768 4.039 20 10 EICDMN CC[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000775525163 1051706066 /nfs/dbraw/zinc/70/60/66/1051706066.db2.gz IYSWSWFRIQUDJI-AEFFLSMTSA-N 0 1 337.822 4.133 20 10 EICDMN [O-]c1c(C[NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)ccc2ccccc21 ZINC001182911174 1051743554 /nfs/dbraw/zinc/74/35/54/1051743554.db2.gz VSBJRFIMEDTGBB-PMACEKPBSA-N 0 1 333.431 4.208 20 10 EICDMN [O-]c1cc(Cl)ccc1C[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001182999542 1051762129 /nfs/dbraw/zinc/76/21/29/1051762129.db2.gz IHIMYAJVDDAFSU-HNNXBMFYSA-N 0 1 346.641 4.176 20 10 EICDMN CC[C@@H](N[C@H]1COc2cc(F)cc(F)c21)c1cc(Cl)ccc1O ZINC000775552895 1051832238 /nfs/dbraw/zinc/83/22/38/1051832238.db2.gz YKOYROVEXKJSFX-KGLIPLIRSA-N 0 1 339.769 4.498 20 10 EICDMN Cc1ccc2ccccc2c1NC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193590320 1051950993 /nfs/dbraw/zinc/95/09/93/1051950993.db2.gz XWTLRBILUVGNJX-UHFFFAOYSA-N 0 1 327.767 4.465 20 10 EICDMN O=C(Nc1ccc(F)c2ccccc12)c1cc(O)c(O)c(Cl)c1 ZINC001193624689 1051957158 /nfs/dbraw/zinc/95/71/58/1051957158.db2.gz JLMNVDPBHUPNTQ-UHFFFAOYSA-N 0 1 331.730 4.296 20 10 EICDMN O=C(N[C@@H](c1ccccc1)C1CCCC1)c1cc(O)c(O)c(Cl)c1 ZINC001193633807 1051958348 /nfs/dbraw/zinc/95/83/48/1051958348.db2.gz HLUPJFXUIPANIE-KRWDZBQOSA-N 0 1 345.826 4.413 20 10 EICDMN CCCCN1CCC([N@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001203586112 1051993431 /nfs/dbraw/zinc/99/34/31/1051993431.db2.gz KXOBNDRNOYZJKA-UHFFFAOYSA-N 0 1 345.314 4.395 20 10 EICDMN CCCCN1CCC([N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001203586112 1051993440 /nfs/dbraw/zinc/99/34/40/1051993440.db2.gz KXOBNDRNOYZJKA-UHFFFAOYSA-N 0 1 345.314 4.395 20 10 EICDMN COc1c([O-])c(C[N@@H+](C)[C@@H](C)c2cc(C)ccc2C)ccc1[N+](=O)[O-] ZINC000774834638 1052174504 /nfs/dbraw/zinc/17/45/04/1052174504.db2.gz GPYIYNXZSRTGRY-AWEZNQCLSA-N 0 1 344.411 4.119 20 10 EICDMN CCOc1cc2c(cc1NCc1ccc(F)c(F)c1O)O[C@H](C)C2 ZINC000864027278 1053163289 /nfs/dbraw/zinc/16/32/89/1053163289.db2.gz YNHGLGUAITWYAI-SNVBAGLBSA-N 0 1 335.350 4.005 20 10 EICDMN CC[C@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1cc(Cl)ccc1[O-] ZINC000850485552 1053255723 /nfs/dbraw/zinc/25/57/23/1053255723.db2.gz KZZUGNSJJHEMIJ-LBPRGKRZSA-N 0 1 345.752 4.095 20 10 EICDMN CC[C@@H]([NH2+]CCC1CC(OC)C1)c1cc(Br)ccc1[O-] ZINC000850483532 1053255979 /nfs/dbraw/zinc/25/59/79/1053255979.db2.gz YQEUNWFGONZCNB-ABIUDSBCSA-N 0 1 342.277 4.011 20 10 EICDMN Cc1cc(Br)cc([C@@H](C)N[C@@H](C)c2cscn2)c1O ZINC000850511376 1053269152 /nfs/dbraw/zinc/26/91/52/1053269152.db2.gz DCCNUXXVHQHKCL-ZJUUUORDSA-N 0 1 341.274 4.331 20 10 EICDMN CC(C)[C@H](O)[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC000850555217 1053311863 /nfs/dbraw/zinc/31/18/63/1053311863.db2.gz NQPQGBRNFQLZRT-BKTGTZMESA-N 0 1 333.859 4.454 20 10 EICDMN C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000850572097 1053326398 /nfs/dbraw/zinc/32/63/98/1053326398.db2.gz AJZQVVRNYFHZGH-XFQAVAEZSA-N 0 1 335.447 4.361 20 10 EICDMN C[C@@H](N[C@H](C)c1ccc(N2CCCCCC2)cc1)c1nccn1C ZINC000850572494 1053327850 /nfs/dbraw/zinc/32/78/50/1053327850.db2.gz KSCGLTNKRLJNKO-IAGOWNOFSA-N 0 1 326.488 4.212 20 10 EICDMN C[N@@H+](Cc1ccc(Br)o1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775648190 1053341422 /nfs/dbraw/zinc/34/14/22/1053341422.db2.gz AGBQTPPBVVFODI-UHFFFAOYSA-N 0 1 348.599 4.172 20 10 EICDMN [O-]c1c(Cl)cccc1C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000775647970 1053342649 /nfs/dbraw/zinc/34/26/49/1053342649.db2.gz KGPXJHDRBTZMHL-UHFFFAOYSA-N 0 1 339.826 4.211 20 10 EICDMN Cc1cc(Br)cc(CN2CCC[C@@H]2c2ccccn2)c1O ZINC000775650404 1053368239 /nfs/dbraw/zinc/36/82/39/1053368239.db2.gz BSWADOBMNDWACB-MRXNPFEDSA-N 0 1 347.256 4.195 20 10 EICDMN COCCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000794823583 1053438030 /nfs/dbraw/zinc/43/80/30/1053438030.db2.gz FVWUGRKPKDPBTC-QAPCUYQASA-N 0 1 331.431 4.220 20 10 EICDMN [O-]c1c(Cl)cccc1C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000775665883 1053441601 /nfs/dbraw/zinc/44/16/01/1053441601.db2.gz MMUIKOKDCRHZHD-KRWDZBQOSA-N 0 1 349.833 4.366 20 10 EICDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000775669853 1053476678 /nfs/dbraw/zinc/47/66/78/1053476678.db2.gz RDQMDNHSOCLVOF-PKOBYXMFSA-N 0 1 349.833 4.273 20 10 EICDMN CCCN(CCC)c1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000765278260 1053487397 /nfs/dbraw/zinc/48/73/97/1053487397.db2.gz CGGYOMFSZQWPFS-LJQANCHMSA-N 0 1 326.488 4.203 20 10 EICDMN CCOCc1cc(CN[C@H](C)c2ccccc2OC)ccc1OC ZINC000865820728 1053598210 /nfs/dbraw/zinc/59/82/10/1053598210.db2.gz BWSWQBPUNSXYGG-OAHLLOKOSA-N 0 1 329.440 4.091 20 10 EICDMN Cc1ccccc1[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])[C@H](C)CO1 ZINC000775715471 1053663573 /nfs/dbraw/zinc/66/35/73/1053663573.db2.gz XQCULVTZNDQDNC-RDTXWAMCSA-N 0 1 331.843 4.316 20 10 EICDMN CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H](O)c1ccc(C)cc1 ZINC000775717276 1053672215 /nfs/dbraw/zinc/67/22/15/1053672215.db2.gz OBJXODIKKGIIBI-QGZVFWFLSA-N 0 1 337.822 4.049 20 10 EICDMN Oc1ccc2ccncc2c1C[N@H+]1CC2(CCC2)[C@H]1c1ccncc1 ZINC000853629987 1053691943 /nfs/dbraw/zinc/69/19/43/1053691943.db2.gz OUGMDWMIHJEIGH-HXUWFJFHSA-N 0 1 331.419 4.063 20 10 EICDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC2(CCC2)[C@H]1c1ccncc1 ZINC000853629987 1053691949 /nfs/dbraw/zinc/69/19/49/1053691949.db2.gz OUGMDWMIHJEIGH-HXUWFJFHSA-N 0 1 331.419 4.063 20 10 EICDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC2(CCC2)[C@H]1c1ccncc1 ZINC000853629987 1053691950 /nfs/dbraw/zinc/69/19/50/1053691950.db2.gz OUGMDWMIHJEIGH-HXUWFJFHSA-N 0 1 331.419 4.063 20 10 EICDMN Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2[O-])s1 ZINC000866455223 1053739062 /nfs/dbraw/zinc/73/90/62/1053739062.db2.gz KDJAIRYTMZHKGQ-DTWKUNHWSA-N 0 1 341.274 4.331 20 10 EICDMN C[C@@H](Nc1cnn2c1CCCC2)c1ccc(Cl)c(Cl)c1O ZINC000866461281 1053741402 /nfs/dbraw/zinc/74/14/02/1053741402.db2.gz PAJCTDRGDYLFDO-SECBINFHSA-N 0 1 326.227 4.405 20 10 EICDMN CC[C@@H]([NH2+]Cc1ccnc(F)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000866475342 1053742136 /nfs/dbraw/zinc/74/21/36/1053742136.db2.gz XBFJICYMMXZEAR-CYBMUJFWSA-N 0 1 328.309 4.186 20 10 EICDMN C[C@H]([NH2+]Cc1cccc2c1CCOC2)c1ccc2ccccc2c1[O-] ZINC000866478140 1053742199 /nfs/dbraw/zinc/74/21/99/1053742199.db2.gz FGZGYUSRDVEBPE-HNNXBMFYSA-N 0 1 333.431 4.469 20 10 EICDMN C[C@@H](NCc1ccnc(F)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000866474419 1053743782 /nfs/dbraw/zinc/74/37/82/1053743782.db2.gz OQJLDAHCLKMEST-CQSZACIVSA-N 0 1 331.410 4.201 20 10 EICDMN CC[C@@H]([NH2+]Cc1cccc2c1CCOC2)c1cc(Cl)ccc1[O-] ZINC000866478927 1053745749 /nfs/dbraw/zinc/74/57/49/1053745749.db2.gz MRIPNFGBZOZMEW-GOSISDBHSA-N 0 1 331.843 4.359 20 10 EICDMN C[C@H]1C[C@H](NCc2noc3ccc(F)cc32)c2c1c(F)ccc2O ZINC000866512356 1053761165 /nfs/dbraw/zinc/76/11/65/1053761165.db2.gz YLYMBRHQIMOPKB-ZANVPECISA-N 0 1 330.334 4.150 20 10 EICDMN CCN(C)c1ccc([C@H](C)NCc2ccc(Br)cn2)cc1 ZINC000866569508 1053790827 /nfs/dbraw/zinc/79/08/27/1053790827.db2.gz WMLBCBNDEMYBTL-ZDUSSCGKSA-N 0 1 348.288 4.151 20 10 EICDMN C[C@@H](NCc1nc2ccccc2n1C(F)F)c1ccc(N(C)C)cc1 ZINC000775833896 1054122502 /nfs/dbraw/zinc/12/25/02/1054122502.db2.gz HGGYZTGULBVRIC-CYBMUJFWSA-N 0 1 344.409 4.348 20 10 EICDMN Cc1cc([O-])c(C[NH2+]CCc2ccc(OC(C)C)cc2)c(Cl)c1 ZINC001199021090 1054320787 /nfs/dbraw/zinc/32/07/87/1054320787.db2.gz BUHSZVSYWGWLKR-UHFFFAOYSA-N 0 1 333.859 4.474 20 10 EICDMN CC[C@@H]([NH2+][C@@H](C)c1nccnc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000872133119 1054407997 /nfs/dbraw/zinc/40/79/97/1054407997.db2.gz KKJYXALEDUQURA-SMDDNHRTSA-N 0 1 339.361 4.311 20 10 EICDMN [O-]c1cccc(Br)c1C[NH2+][C@H](c1cccs1)C1CC1 ZINC000858090278 1054414725 /nfs/dbraw/zinc/41/47/25/1054414725.db2.gz KLIRNSRRQBHUQO-HNNXBMFYSA-N 0 1 338.270 4.457 20 10 EICDMN CN(C)c1cc(F)c(CN[C@@H]2CCCOc3ccccc32)cc1F ZINC000858118860 1054421818 /nfs/dbraw/zinc/42/18/18/1054421818.db2.gz INKDBBUULVENKK-QGZVFWFLSA-N 0 1 332.394 4.034 20 10 EICDMN COc1cc(Cl)cc(CN2CCC[C@H](C(F)(F)F)[C@H]2C)c1O ZINC000776013722 1054447464 /nfs/dbraw/zinc/44/74/64/1054447464.db2.gz NWWJCVBDHIDETN-SKDRFNHKSA-N 0 1 337.769 4.217 20 10 EICDMN C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])c1ccns1 ZINC000858576203 1054522617 /nfs/dbraw/zinc/52/26/17/1054522617.db2.gz JEBYVVWMNPYOST-RKDXNWHRSA-N 0 1 327.247 4.023 20 10 EICDMN CN(Cc1ccccc1O)Cc1cccc(F)c1OCC(F)(F)F ZINC000862228041 1055031710 /nfs/dbraw/zinc/03/17/10/1055031710.db2.gz LESMSPHHEYWZBX-UHFFFAOYSA-N 0 1 343.320 4.104 20 10 EICDMN CC1CCN(c2ccc(CNCc3cnc(C4CC4)o3)cc2)CC1 ZINC000862276969 1055043726 /nfs/dbraw/zinc/04/37/26/1055043726.db2.gz KCSYBWZPIHEADI-UHFFFAOYSA-N 0 1 325.456 4.078 20 10 EICDMN CCCOc1ccc(CN[C@H](c2cccnc2)C(C)(C)CO)cc1C ZINC000877551161 1055078978 /nfs/dbraw/zinc/07/89/78/1055078978.db2.gz TWLVPEONSMZWGS-HXUWFJFHSA-N 0 1 342.483 4.028 20 10 EICDMN CN(C)c1ccc(CN[C@H]2COc3c2ccc(Cl)c3Cl)cc1 ZINC000742384037 1058584869 /nfs/dbraw/zinc/58/48/69/1058584869.db2.gz ZIHQNXLDNFRRSG-HNNXBMFYSA-N 0 1 337.250 4.283 20 10 EICDMN C[C@@H](NCc1ccc(F)cn1)c1ccc(N2CCCCCC2)cc1 ZINC000766606465 1060675862 /nfs/dbraw/zinc/67/58/62/1060675862.db2.gz ARYULQIPSMEUQP-MRXNPFEDSA-N 0 1 327.447 4.452 20 10 EICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1C[C@H]1c1ccsc1 ZINC000529391872 1032341051 /nfs/dbraw/zinc/34/10/51/1032341051.db2.gz LJCOJMNHNUOYNZ-NWDGAFQWSA-N 0 1 342.247 4.180 20 10 EICDMN C[C@@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)c1ccc(Cl)cc1[O-] ZINC000841759542 1032550127 /nfs/dbraw/zinc/55/01/27/1032550127.db2.gz ZOFVOXLRSAVAED-PXAZEXFGSA-N 0 1 336.838 4.138 20 10 EICDMN CC[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841759538 1032550273 /nfs/dbraw/zinc/55/02/73/1032550273.db2.gz ZMRPQLXZSMYAMU-GXSJLCMTSA-N 0 1 325.758 4.054 20 10 EICDMN C[C@@H]([N@H+](C)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])C(C)(C)C ZINC000728195332 1019328833 /nfs/dbraw/zinc/32/88/33/1019328833.db2.gz KBHBIQGYECNRIV-CQSZACIVSA-N 0 1 341.451 4.195 20 10 EICDMN C[C@@H]([N@@H+](C)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])C(C)(C)C ZINC000728195332 1019328849 /nfs/dbraw/zinc/32/88/49/1019328849.db2.gz KBHBIQGYECNRIV-CQSZACIVSA-N 0 1 341.451 4.195 20 10 EICDMN Cc1cccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)c1 ZINC000120414725 1019528711 /nfs/dbraw/zinc/52/87/11/1019528711.db2.gz WUHQQKQSCANAIY-MRXNPFEDSA-N 0 1 344.886 4.336 20 10 EICDMN CC(C)Oc1ccnc(CN(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC001167107453 1020185353 /nfs/dbraw/zinc/18/53/53/1020185353.db2.gz DNJOZTWAMFVMJG-UHFFFAOYSA-N 0 1 339.483 4.099 20 10 EICDMN CC1=Cc2cccc(NCc3ccc(N4CCN(C)CC4)cc3)c2C1 ZINC001167434065 1022489588 /nfs/dbraw/zinc/48/95/88/1022489588.db2.gz ADCDNVJIRANXAT-UHFFFAOYSA-N 0 1 333.479 4.010 20 10 EICDMN CSc1cc(NCc2ccc(N3CCN(C)CC3)cc2)ccc1C ZINC001167437123 1022634333 /nfs/dbraw/zinc/63/43/33/1022634333.db2.gz LWJLLMYICUZQSC-UHFFFAOYSA-N 0 1 341.524 4.081 20 10 EICDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1[O-] ZINC000180422813 1022653725 /nfs/dbraw/zinc/65/37/25/1022653725.db2.gz XHKAATGPEYYCII-JTQLQIEISA-N 0 1 348.786 4.007 20 10 EICDMN Cc1cc(C)c(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])cn1 ZINC000834904459 1023374050 /nfs/dbraw/zinc/37/40/50/1023374050.db2.gz YNDCADUSEBPTTH-LBPRGKRZSA-N 0 1 335.245 4.017 20 10 EICDMN CSC1(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])CCC1 ZINC000193804417 1023725443 /nfs/dbraw/zinc/72/54/43/1023725443.db2.gz QFDIEHHZVVPXMH-JTQLQIEISA-N 0 1 330.291 4.091 20 10 EICDMN CC[C@@H](c1ccccc1O)[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000364476376 1023813901 /nfs/dbraw/zinc/81/39/01/1023813901.db2.gz JKFFQXANFUMBQC-IBGZPJMESA-N 0 1 339.435 4.144 20 10 EICDMN CCc1nc([C@H](C)NC2CCN(c3ccc(OC)cc3)CC2)cs1 ZINC000162346433 1025122692 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CC[C@H]([NH2+][C@H](C)C1CCOCC1)c1cc(Br)ccc1[O-] ZINC000156371563 1041443648 /nfs/dbraw/zinc/44/36/48/1041443648.db2.gz LTUBXXBIEQZKBV-ABAIWWIYSA-N 0 1 342.277 4.011 20 10 EICDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000715726633 1043167584 /nfs/dbraw/zinc/16/75/84/1043167584.db2.gz VBJHASGDEDIDPI-IINYFYTJSA-N 0 1 328.225 4.058 20 10 EICDMN CC(C)OC1CC[NH+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1 ZINC000730564791 1043556960 /nfs/dbraw/zinc/55/69/60/1043556960.db2.gz WPEDMKZYGKHFIM-UHFFFAOYSA-N 0 1 343.467 4.407 20 10 EICDMN C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N(C)Cc1ccccc1O ZINC000731842831 1043835542 /nfs/dbraw/zinc/83/55/42/1043835542.db2.gz IOGHSLNPRADREP-HNNXBMFYSA-N 0 1 340.467 4.149 20 10 EICDMN COC(=O)c1sc2ccccc2c1CN(C)Cc1ccccc1O ZINC000731842790 1043836501 /nfs/dbraw/zinc/83/65/01/1043836501.db2.gz DJZVXDPTRYXWSL-UHFFFAOYSA-N 0 1 341.432 4.026 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH2+]CCCSc1ccc(F)cc1 ZINC000733322968 1044185277 /nfs/dbraw/zinc/18/52/77/1044185277.db2.gz 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CCN(CC)c1ccc(CN(C)Cc2cnn(C(C)(C)C)c2)cc1 ZINC000768212612 1045754441 /nfs/dbraw/zinc/75/44/41/1045754441.db2.gz NEHKFHMTLDMJQR-UHFFFAOYSA-N 0 1 328.504 4.116 20 10 EICDMN COc1ccc([C@H]2CCC[N@H+]2Cc2c([O-])cccc2Cl)cc1OC ZINC000768227756 1045756711 /nfs/dbraw/zinc/75/67/11/1045756711.db2.gz HXACNCDYSCTNJZ-MRXNPFEDSA-N 0 1 347.842 4.400 20 10 EICDMN COc1ccc([C@H]2CCC[N@@H+]2Cc2c([O-])cccc2Cl)cc1OC ZINC000768227756 1045756706 /nfs/dbraw/zinc/75/67/06/1045756706.db2.gz HXACNCDYSCTNJZ-MRXNPFEDSA-N 0 1 347.842 4.400 20 10 EICDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000768235034 1045760712 /nfs/dbraw/zinc/76/07/12/1045760712.db2.gz VZEMUWGZGMCUGU-UHFFFAOYSA-N 0 1 339.826 4.211 20 10 EICDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000768235034 1045760701 /nfs/dbraw/zinc/76/07/01/1045760701.db2.gz VZEMUWGZGMCUGU-UHFFFAOYSA-N 0 1 339.826 4.211 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000768931033 1045861759 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COc1ccc(N2CCCN(Cc3ccsc3Cl)CC2)cc1 ZINC000792167524 1045873356 /nfs/dbraw/zinc/87/33/56/1045873356.db2.gz VVDLAMPZWCZABX-UHFFFAOYSA-N 0 1 336.888 4.122 20 10 EICDMN COc1ccc(N2CCCN(Cc3cscc3Cl)CC2)cc1 ZINC000768998467 1045873828 /nfs/dbraw/zinc/87/38/28/1045873828.db2.gz NHOBFSXTSNFRPI-UHFFFAOYSA-N 0 1 336.888 4.122 20 10 EICDMN COCCCC[N@H+](Cc1ccccc1)Cc1c([O-])cccc1Cl ZINC000769106973 1045880876 /nfs/dbraw/zinc/88/08/76/1045880876.db2.gz HYAUBRIMGGDAJL-UHFFFAOYSA-N 0 1 333.859 4.474 20 10 EICDMN COCCCC[N@@H+](Cc1ccccc1)Cc1c([O-])cccc1Cl ZINC000769106973 1045880881 /nfs/dbraw/zinc/88/08/81/1045880881.db2.gz HYAUBRIMGGDAJL-UHFFFAOYSA-N 0 1 333.859 4.474 20 10 EICDMN CN(C)c1ccc(CN(Cc2ccco2)Cc2ccc(O)cc2)cc1 ZINC000769318378 1045919705 /nfs/dbraw/zinc/91/97/05/1045919705.db2.gz XLGAXIFFUVHAOX-UHFFFAOYSA-N 0 1 336.435 4.254 20 10 EICDMN CCOc1ccc(CN2CCC[C@H]2c2ccc(F)c(F)c2)c(O)c1 ZINC000769428256 1045962223 /nfs/dbraw/zinc/96/22/23/1045962223.db2.gz OMHUWXURANYLPF-SFHVURJKSA-N 0 1 333.378 4.406 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/nfs/dbraw/zinc/12/66/42/1046126642.db2.gz PCHOBOYLKJMQNP-UHFFFAOYSA-N 0 1 340.515 4.475 20 10 EICDMN COc1cccc(CN2CCCC[C@@H]2c2ccc(F)cc2F)c1O ZINC000770350966 1046190691 /nfs/dbraw/zinc/19/06/91/1046190691.db2.gz RMPXGLCMIMJURN-QGZVFWFLSA-N 0 1 333.378 4.406 20 10 EICDMN [O-]c1ccccc1C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000770504558 1046209658 /nfs/dbraw/zinc/20/96/58/1046209658.db2.gz JFRFJOKRALWWEK-CTNGQTDRSA-N 0 1 325.452 4.261 20 10 EICDMN [O-]c1ccccc1C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000770504558 1046209670 /nfs/dbraw/zinc/20/96/70/1046209670.db2.gz JFRFJOKRALWWEK-CTNGQTDRSA-N 0 1 325.452 4.261 20 10 EICDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccc(Br)cn1 ZINC000793335308 1046210574 /nfs/dbraw/zinc/21/05/74/1046210574.db2.gz SXBQXSQSOOOGIT-VIFPVBQESA-N 0 1 341.636 4.054 20 10 EICDMN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H](CSC)C3)c2c1 ZINC000793794539 1046334155 /nfs/dbraw/zinc/33/41/55/1046334155.db2.gz XTBFXPYJCBDDSK-CQSZACIVSA-N 0 1 331.481 4.129 20 10 EICDMN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H](CSC)C3)c2c1 ZINC000793794539 1046334168 /nfs/dbraw/zinc/33/41/68/1046334168.db2.gz XTBFXPYJCBDDSK-CQSZACIVSA-N 0 1 331.481 4.129 20 10 EICDMN COC[C@H](NCc1ccc2c(c1)CCCN2C)c1ccc(Cl)cc1 ZINC000786822145 1046875559 /nfs/dbraw/zinc/87/55/59/1046875559.db2.gz UUNLPHTZECYNMJ-IBGZPJMESA-N 0 1 344.886 4.200 20 10 EICDMN COC[C@H](NCc1ccc(N(C)C)c(C)c1)c1ccc(Cl)cc1 ZINC000786853465 1046875981 /nfs/dbraw/zinc/87/59/81/1046875981.db2.gz BTHNCXOAZMPWLP-SFHVURJKSA-N 0 1 332.875 4.192 20 10 EICDMN CC[C@@H]([NH2+]CC[C@H](OC)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000786953944 1046883553 /nfs/dbraw/zinc/88/35/53/1046883553.db2.gz PGCYSIHNRJWQKK-YPMHNXCESA-N 0 1 325.758 4.054 20 10 EICDMN Cc1ccc(F)cc1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806110899 1047138829 /nfs/dbraw/zinc/13/88/29/1047138829.db2.gz SYBTVIFRFXEWQE-UHFFFAOYSA-N 0 1 343.185 4.468 20 10 EICDMN Cc1cc(O)c(CN2CCO[C@H](c3cccs3)C2)cc1C(C)C ZINC000760407292 1047360333 /nfs/dbraw/zinc/36/03/33/1047360333.db2.gz 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CC[C@H]([NH2+][C@H](C)c1cnn(CC)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000825129717 1048038849 /nfs/dbraw/zinc/03/88/49/1048038849.db2.gz BLYTYESJUJNXTO-ABAIWWIYSA-N 0 1 341.377 4.429 20 10 EICDMN Cc1cc([O-])c(C[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)cc1Cl ZINC000825150889 1048044180 /nfs/dbraw/zinc/04/41/80/1048044180.db2.gz LLRNHBQJUOICEZ-RBUKOAKNSA-N 0 1 331.843 4.364 20 10 EICDMN Cc1cc(Cl)cc([C@@H](C)N[C@@H](C)c2nnc3n2CCCCC3)c1O ZINC000808674632 1048046619 /nfs/dbraw/zinc/04/66/19/1048046619.db2.gz KXYBMWVZRDPSSL-OLZOCXBDSA-N 0 1 348.878 4.084 20 10 EICDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000825191039 1048053023 /nfs/dbraw/zinc/05/30/23/1048053023.db2.gz TYBOVPVMEVLGGO-OAHLLOKOSA-N 0 1 348.240 4.158 20 10 EICDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2([C@@H](C)CCO)CCC2)c1[O-] ZINC000808710637 1048056824 /nfs/dbraw/zinc/05/68/24/1048056824.db2.gz SUSOOTGTAUUBKS-UONOGXRCSA-N 0 1 325.880 4.193 20 10 EICDMN Cc1cccnc1[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])C(C)C ZINC000825286665 1048062965 /nfs/dbraw/zinc/06/29/65/1048062965.db2.gz FZJYQAJVOPJPMD-INIZCTEOSA-N 0 1 349.272 4.345 20 10 EICDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](CCO)c2ccccc2)c1[O-] ZINC000808697855 1048081222 /nfs/dbraw/zinc/08/12/22/1048081222.db2.gz XJFMRPPKPBXOCF-ZBFHGGJFSA-N 0 1 333.859 4.171 20 10 EICDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)cc1Cl ZINC000825526386 1048109671 /nfs/dbraw/zinc/10/96/71/1048109671.db2.gz RASZUASHRDCATB-APWZRJJASA-N 0 1 331.843 4.364 20 10 EICDMN [O-]c1ccc2oc3c(c2c1C[N@@H+]1CC[C@@]2(CC2(F)F)C1)CCCC3 ZINC000844756735 1048487795 /nfs/dbraw/zinc/48/77/95/1048487795.db2.gz LPVBYEIEIQESNQ-GOSISDBHSA-N 0 1 333.378 4.248 20 10 EICDMN [O-]c1ccc2oc3c(c2c1C[N@H+]1CC[C@@]2(CC2(F)F)C1)CCCC3 ZINC000844756735 1048487806 /nfs/dbraw/zinc/48/78/06/1048487806.db2.gz LPVBYEIEIQESNQ-GOSISDBHSA-N 0 1 333.378 4.248 20 10 EICDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000809713347 1048491096 /nfs/dbraw/zinc/49/10/96/1048491096.db2.gz MYRXMZIKOXVFNM-UHFFFAOYSA-N 0 1 344.611 4.237 20 10 EICDMN CCN(CC)c1ccc(CN2CCC[C@H]2c2c(C)n[nH]c2C)cc1F ZINC000809768566 1048504099 /nfs/dbraw/zinc/50/40/99/1048504099.db2.gz OUXQDVCUZXJRPX-IBGZPJMESA-N 0 1 344.478 4.349 20 10 EICDMN Cc1nnc(CN[C@H](CCc2ccccc2)c2ccccc2O)s1 ZINC000815615883 1048542482 /nfs/dbraw/zinc/54/24/82/1048542482.db2.gz ZYXFFBJQJHYCTK-QGZVFWFLSA-N 0 1 339.464 4.016 20 10 EICDMN CC[C@H]([NH2+]Cc1cnccc1OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000815629844 1048553633 /nfs/dbraw/zinc/55/36/33/1048553633.db2.gz ONURWDQGQBEEOH-AWEZNQCLSA-N 0 1 340.345 4.056 20 10 EICDMN Cc1cccc2c1CN(Cc1cc(Br)c(F)cc1O)C2 ZINC001144299014 1048573649 /nfs/dbraw/zinc/57/36/49/1048573649.db2.gz OSQVUDAOMVKZQE-UHFFFAOYSA-N 0 1 336.204 4.118 20 10 EICDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001144306933 1048583409 /nfs/dbraw/zinc/58/34/09/1048583409.db2.gz XCEYDZSGAFZEEV-HZMBPMFUSA-N 0 1 328.225 4.058 20 10 EICDMN CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@H]1CCOC(C)(C)C1 ZINC000810043099 1048605496 /nfs/dbraw/zinc/60/54/96/1048605496.db2.gz OWBGUXMGPRWULO-HNNXBMFYSA-N 0 1 339.863 4.028 20 10 EICDMN CC[C@@H]([NH2+]CCOCC(F)(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000810212853 1048680471 /nfs/dbraw/zinc/68/04/71/1048680471.db2.gz ZRWOXEPJRWSSAX-LLVKDONJSA-N 0 1 345.283 4.031 20 10 EICDMN CCN(CC)c1ccc(CN[C@H](C)c2ccc(OC)c(O)c2)cc1F ZINC000810216259 1048686251 /nfs/dbraw/zinc/68/62/51/1048686251.db2.gz HBTWPBUNCIVGNE-CQSZACIVSA-N 0 1 346.446 4.237 20 10 EICDMN CC[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223975 1048691706 /nfs/dbraw/zinc/69/17/06/1048691706.db2.gz PRPHONARGDQHHP-OSAQELSMSA-N 0 1 331.378 4.003 20 10 EICDMN COC[C@@H](NCc1ccc(N(C)C)c(C)c1)c1cccc(Cl)c1 ZINC000810225429 1048694553 /nfs/dbraw/zinc/69/45/53/1048694553.db2.gz CZMJIUJVAGJHEO-GOSISDBHSA-N 0 1 332.875 4.192 20 10 EICDMN C[C@H](c1cccs1)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768416836 1048696222 /nfs/dbraw/zinc/69/62/22/1048696222.db2.gz LRWZKCQGSNZSNG-SECBINFHSA-N 0 1 326.805 4.208 20 10 EICDMN CC[C@@H]([NH2+]CC1([C@@H](O)C(C)C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810230027 1048697351 /nfs/dbraw/zinc/69/73/51/1048697351.db2.gz QLFPZVSOAJBQPN-ZBFHGGJFSA-N 0 1 345.405 4.249 20 10 EICDMN CC[C@H]([NH2+]C[C@H]1CCC[C@H]1OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810229708 1048697557 /nfs/dbraw/zinc/69/75/57/1048697557.db2.gz ICOFSNJQYOWUPX-DIOULYMOSA-N 0 1 331.378 4.267 20 10 EICDMN CC[C@@H]([NH2+]CCc1cnc(C)s1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228329 1048697941 /nfs/dbraw/zinc/69/79/41/1048697941.db2.gz SNKKUXJJCKABMX-CQSZACIVSA-N 0 1 344.402 4.459 20 10 EICDMN CC[C@H]([NH2+][C@H](C)[C@@H]1CCCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810235478 1048701918 /nfs/dbraw/zinc/70/19/18/1048701918.db2.gz QNRHEWUHELONHB-JMSVASOKSA-N 0 1 331.378 4.267 20 10 EICDMN CC[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238004 1048720572 /nfs/dbraw/zinc/72/05/72/1048720572.db2.gz WQWLBLHJFMSTOV-UKPHBRMFSA-N 0 1 343.389 4.409 20 10 EICDMN CC[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237283 1048722931 /nfs/dbraw/zinc/72/29/31/1048722931.db2.gz BEYGKVPTURJCHM-TUKIKUTGSA-N 0 1 331.378 4.003 20 10 EICDMN C[C@@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1cc(Cl)ccc1[O-] ZINC000810253479 1048731547 /nfs/dbraw/zinc/73/15/47/1048731547.db2.gz VBNDFHLCELRAGS-PIGZYNQJSA-N 0 1 337.872 4.246 20 10 EICDMN C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846054518 1048808972 /nfs/dbraw/zinc/80/89/72/1048808972.db2.gz DCKSUWQEPZCFHG-LBPRGKRZSA-N 0 1 329.831 4.033 20 10 EICDMN CC(C)c1nc(CC[NH2+]Cc2ccc3ccccc3c2[O-])cs1 ZINC000816545144 1048827331 /nfs/dbraw/zinc/82/73/31/1048827331.db2.gz GDVOSPVPFYBBRO-UHFFFAOYSA-N 0 1 326.465 4.458 20 10 EICDMN COc1cccc([C@H](C)N[C@@H](COCC(C)C)c2ccco2)c1O ZINC000846143674 1048831355 /nfs/dbraw/zinc/83/13/55/1048831355.db2.gz FPJJSYJMTMRCJX-HOCLYGCPSA-N 0 1 333.428 4.058 20 10 EICDMN CC(C)(CO)[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])c1ccccc1 ZINC000816558220 1048833972 /nfs/dbraw/zinc/83/39/72/1048833972.db2.gz RDHHAELFIABCFL-OAQYLSRUSA-N 0 1 349.474 4.437 20 10 EICDMN [O-]c1c(C[NH2+]Cc2cnn(-c3ccccc3)c2)ccc2ccccc21 ZINC000816561713 1048835685 /nfs/dbraw/zinc/83/56/85/1048835685.db2.gz ITYKYZJCRFTLCW-UHFFFAOYSA-N 0 1 329.403 4.021 20 10 EICDMN [O-]c1c(C[NH2+]Cc2ccccc2-n2cccn2)ccc2ccccc21 ZINC000816563644 1048836052 /nfs/dbraw/zinc/83/60/52/1048836052.db2.gz FNLGOXGHTJJVOK-UHFFFAOYSA-N 0 1 329.403 4.021 20 10 EICDMN CCn1ccnc1[C@@H]1CCCCN1Cc1cc(Cl)c(F)cc1O ZINC000816598339 1048840081 /nfs/dbraw/zinc/84/00/81/1048840081.db2.gz YAZDQYCEHKGJDD-HNNXBMFYSA-N 0 1 337.826 4.128 20 10 EICDMN C[C@]12CC[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C[C@H]1C2(Cl)Cl ZINC000816603704 1048842592 /nfs/dbraw/zinc/84/25/92/1048842592.db2.gz NXRGWZNSPNBPIB-OLZOCXBDSA-N 0 1 338.637 4.200 20 10 EICDMN COc1cccc(C2(C[NH2+]Cc3ccc4ccccc4c3[O-])CC2)c1 ZINC000816614086 1048843960 /nfs/dbraw/zinc/84/39/60/1048843960.db2.gz MKLLYRSNBMJMAX-UHFFFAOYSA-N 0 1 333.431 4.375 20 10 EICDMN [O-]c1c(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)ccc2ccccc21 ZINC000816617184 1048845817 /nfs/dbraw/zinc/84/58/17/1048845817.db2.gz QGCXGGPMQUDHOX-QGZVFWFLSA-N 0 1 336.410 4.053 20 10 EICDMN COc1ccc([C@@H](NCc2ccc3c(c2)CCO3)C2CC2)c(F)c1 ZINC000817573138 1049004904 /nfs/dbraw/zinc/00/49/04/1049004904.db2.gz BNLMIUOFEHSYSA-FQEVSTJZSA-N 0 1 327.399 4.010 20 10 EICDMN CC1(C)C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1[C@H]1CCCO1 ZINC000811510408 1049125459 /nfs/dbraw/zinc/12/54/59/1049125459.db2.gz FVGUENLLXDEWPU-HIFRSBDPSA-N 0 1 330.255 4.088 20 10 EICDMN CC(C)[N@H+](Cc1cc2oc3ccccc3c2cc1[O-])[C@@H]1CCOC1 ZINC000812290221 1049415974 /nfs/dbraw/zinc/41/59/74/1049415974.db2.gz BJEHUHUCOFTUOI-OAHLLOKOSA-N 0 1 325.408 4.291 20 10 EICDMN CC(C)[N@@H+](Cc1cc2oc3ccccc3c2cc1[O-])[C@@H]1CCOC1 ZINC000812290221 1049415979 /nfs/dbraw/zinc/41/59/79/1049415979.db2.gz BJEHUHUCOFTUOI-OAHLLOKOSA-N 0 1 325.408 4.291 20 10 EICDMN [O-]c1ccc2ccncc2c1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000747799099 1049533900 /nfs/dbraw/zinc/53/39/00/1049533900.db2.gz ZDPVERDQKVEBGE-UHFFFAOYSA-N 0 1 340.467 4.254 20 10 EICDMN COc1ccc(F)cc1CNCc1ccc(N2CCC(C)CC2)cc1 ZINC000812755452 1049566724 /nfs/dbraw/zinc/56/67/24/1049566724.db2.gz WJCRWOIHQFTJFP-UHFFFAOYSA-N 0 1 342.458 4.360 20 10 EICDMN CC[C@@H]([NH2+][C@H](C)Cc1ccco1)c1cc(Br)ccc1[O-] ZINC000036993969 1049653027 /nfs/dbraw/zinc/65/30/27/1049653027.db2.gz PBYPNKWCROGHHQ-IAQYHMDHSA-N 0 1 338.245 4.420 20 10 EICDMN Cc1cccc2c1CC[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])C2 ZINC001171560657 1049756380 /nfs/dbraw/zinc/75/63/80/1049756380.db2.gz VIULXMILYAOFPX-MRXNPFEDSA-N 0 1 346.268 4.110 20 10 EICDMN Cc1cccc2c1CC[C@H]([NH2+]Cc1cc(Br)ccc1[O-])C2 ZINC001171560323 1049757021 /nfs/dbraw/zinc/75/70/21/1049757021.db2.gz RDDUWGUMTOULER-INIZCTEOSA-N 0 1 346.268 4.110 20 10 EICDMN O=C(c1ccccc1)C1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000179878840 1049787438 /nfs/dbraw/zinc/78/74/38/1049787438.db2.gz IDDXMWUJTSVODW-UHFFFAOYSA-N 0 1 329.827 4.141 20 10 EICDMN O=C(c1ccccc1)C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000179878840 1049787443 /nfs/dbraw/zinc/78/74/43/1049787443.db2.gz IDDXMWUJTSVODW-UHFFFAOYSA-N 0 1 329.827 4.141 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccccc1N1CCCCC1 ZINC000824113561 1049901260 /nfs/dbraw/zinc/90/12/60/1049901260.db2.gz JFDUVNYNMRXEEC-UHFFFAOYSA-N 0 1 330.859 4.326 20 10 EICDMN CC[N@H+](Cc1ccccc1[O-])[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921383 1050234419 /nfs/dbraw/zinc/23/44/19/1050234419.db2.gz PNMCPEXFMKWRTE-SFHVURJKSA-N 0 1 340.423 4.070 20 10 EICDMN CC[N@@H+](Cc1ccccc1[O-])[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921383 1050234426 /nfs/dbraw/zinc/23/44/26/1050234426.db2.gz PNMCPEXFMKWRTE-SFHVURJKSA-N 0 1 340.423 4.070 20 10 EICDMN Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1c([O-])cccc1Br ZINC001177650843 1050277898 /nfs/dbraw/zinc/27/78/98/1050277898.db2.gz OUQZPRPUBRLXIP-MRXNPFEDSA-N 0 1 332.241 4.240 20 10 EICDMN Cc1cc([O-])c(C[NH2+]Cc2cccc(Br)c2)c(Cl)c1 ZINC001177651122 1050278883 /nfs/dbraw/zinc/27/88/83/1050278883.db2.gz VOFHQSOXMGGDPY-UHFFFAOYSA-N 0 1 340.648 4.406 20 10 EICDMN COc1ccc(O)c([C@@H](C)NCc2csc(-c3cccs3)n2)c1 ZINC000182458007 1050672583 /nfs/dbraw/zinc/67/25/83/1050672583.db2.gz AQDXHAWRXOTQEK-LLVKDONJSA-N 0 1 346.477 4.437 20 10 EICDMN CCS[C@H]1CCCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC001179892870 1050803641 /nfs/dbraw/zinc/80/36/41/1050803641.db2.gz VCJJXXSKHLXQEL-LBPRGKRZSA-N 0 1 344.318 4.262 20 10 EICDMN CCS[C@H]1CCCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC001179892870 1050803642 /nfs/dbraw/zinc/80/36/42/1050803642.db2.gz VCJJXXSKHLXQEL-LBPRGKRZSA-N 0 1 344.318 4.262 20 10 EICDMN CN(C)c1ccc(/C=C\CN(Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC001180174956 1050894246 /nfs/dbraw/zinc/89/42/46/1050894246.db2.gz PQHVDBIKRPUPSA-WCMNTNLDSA-N 0 1 340.467 4.040 20 10 EICDMN CC[N@@H+](Cc1cccc(F)c1[O-])[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001180174966 1050895727 /nfs/dbraw/zinc/89/57/27/1050895727.db2.gz QBDSOCXJIHZVHR-LPHOPBHVSA-N 0 1 342.458 4.189 20 10 EICDMN Cc1cccc(C[N@H+](C)Cc2cc(Br)cc(F)c2[O-])c1 ZINC001180386887 1050978147 /nfs/dbraw/zinc/97/81/47/1050978147.db2.gz SHWMSWGZPWSNLV-UHFFFAOYSA-N 0 1 338.220 4.234 20 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/nfs/dbraw/zinc/25/73/11/1051257311.db2.gz MPPIPIJMNYYQQC-SCTDSRPQSA-N 0 1 329.390 4.439 20 10 EICDMN C[C@H]([NH2+]Cc1ccc(Cl)cc1[O-])c1nccn1-c1ccccc1 ZINC001182184711 1051415432 /nfs/dbraw/zinc/41/54/32/1051415432.db2.gz RSUKDALUZQEPBM-ZDUSSCGKSA-N 0 1 327.815 4.082 20 10 EICDMN CCC[N@H+](Cc1cc(Br)cc(OC)c1[O-])[C@H](C)CC ZINC001204336184 1051509389 /nfs/dbraw/zinc/50/93/89/1051509389.db2.gz FPVJVCVSRQKAAW-LLVKDONJSA-N 0 1 330.266 4.174 20 10 EICDMN CCC[N@@H+](Cc1cc(Br)cc(OC)c1[O-])[C@H](C)CC ZINC001204336184 1051509401 /nfs/dbraw/zinc/50/94/01/1051509401.db2.gz FPVJVCVSRQKAAW-LLVKDONJSA-N 0 1 330.266 4.174 20 10 EICDMN CC1(C)CCC[C@H](C[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC001182387810 1051538359 /nfs/dbraw/zinc/53/83/59/1051538359.db2.gz NLLCLAMBXVHROU-LBPRGKRZSA-N 0 1 326.278 4.461 20 10 EICDMN CC[C@@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1cc(Cl)ccc1[O-] ZINC000775483070 1051551922 /nfs/dbraw/zinc/55/19/22/1051551922.db2.gz JMWJJWKEIVYDOK-HUUCEWRRSA-N 0 1 338.904 4.451 20 10 EICDMN CC[C@@H]([NH2+]Cc1cccc(NC(C)=O)c1)c1cc(Cl)ccc1[O-] ZINC000775486495 1051559537 /nfs/dbraw/zinc/55/95/37/1051559537.db2.gz CAOBCDINAHQDNR-QGZVFWFLSA-N 0 1 332.831 4.245 20 10 EICDMN CC[C@@H](N[C@H](C)c1nnc2n1CCCCC2)c1cc(Cl)ccc1O ZINC000775492825 1051591528 /nfs/dbraw/zinc/59/15/28/1051591528.db2.gz SUVAPSGMFXLIAK-IUODEOHRSA-N 0 1 348.878 4.165 20 10 EICDMN CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000775497422 1051620512 /nfs/dbraw/zinc/62/05/12/1051620512.db2.gz QGEYJTVLMPBKFW-MRXNPFEDSA-N 0 1 336.838 4.492 20 10 EICDMN CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775503699 1051644839 /nfs/dbraw/zinc/64/48/39/1051644839.db2.gz MRAWVSGMXOVVET-MRXNPFEDSA-N 0 1 332.831 4.115 20 10 EICDMN CC[C@@H]([NH2+][C@H](C)CC(C)(C)OC)c1cc(Br)ccc1[O-] ZINC000775508047 1051647224 /nfs/dbraw/zinc/64/72/24/1051647224.db2.gz HFMQNKBJASQITI-BXUZGUMPSA-N 0 1 344.293 4.399 20 10 EICDMN C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])CCc2ccc(Cl)cc21 ZINC001182712508 1051680816 /nfs/dbraw/zinc/68/08/16/1051680816.db2.gz AQSIPJHTAVLHBG-LLVKDONJSA-N 0 1 337.797 4.486 20 10 EICDMN CC(C)c1ccc(O)c(CN2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)c1 ZINC001182763417 1051687050 /nfs/dbraw/zinc/68/70/50/1051687050.db2.gz GJTKLJPIOUQGDJ-RHSMWYFYSA-N 0 1 333.472 4.210 20 10 EICDMN CCc1nn(C)c(CC)c1C[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775523772 1051702690 /nfs/dbraw/zinc/70/26/90/1051702690.db2.gz NHGRARGZLLKTLR-HNNXBMFYSA-N 0 1 335.879 4.145 20 10 EICDMN CC[C@H]([NH2+][C@H](C)[C@@H](O)Cc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775524584 1051710686 /nfs/dbraw/zinc/71/06/86/1051710686.db2.gz RPLCLMPRUBQKPB-FMEYXAORSA-N 0 1 333.859 4.078 20 10 EICDMN Cc1ccc(CC[NH2+]Cc2ccc(Br)cc2[O-])cc1C ZINC001182816389 1051715835 /nfs/dbraw/zinc/71/58/35/1051715835.db2.gz KDRGTVVWJAAQST-UHFFFAOYSA-N 0 1 334.257 4.104 20 10 EICDMN CC[C@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1cc(Cl)ccc1[O-] ZINC000775526903 1051716311 /nfs/dbraw/zinc/71/63/11/1051716311.db2.gz NLZJLBLULFKNCQ-RDJZCZTQSA-N 0 1 340.250 4.473 20 10 EICDMN CC[C@H]([NH2+]C[C@H]1CCC[C@H]1OC)c1cc(Br)ccc1[O-] ZINC000775532258 1051746953 /nfs/dbraw/zinc/74/69/53/1051746953.db2.gz ULCAQVMAGQQVJO-DIOULYMOSA-N 0 1 342.277 4.011 20 10 EICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001203574214 1051879885 /nfs/dbraw/zinc/87/98/85/1051879885.db2.gz PZHQOLBNMUKCNJ-GFCCVEGCSA-N 0 1 346.151 4.423 20 10 EICDMN CC(C)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)c1ccccc1 ZINC001193626366 1051957467 /nfs/dbraw/zinc/95/74/67/1051957467.db2.gz VKVOVWRKQWWWDU-OAHLLOKOSA-N 0 1 333.815 4.268 20 10 EICDMN O=C(c1ccncc1)c1ccccc1Nc1c(F)cc(F)c(O)c1F ZINC001176674845 1052161834 /nfs/dbraw/zinc/16/18/34/1052161834.db2.gz YFTHOUVEGLANKM-UHFFFAOYSA-N 0 1 344.292 4.179 20 10 EICDMN COc1c([O-])c(C[N@@H+](C)[C@H](C)c2cc(C)ccc2C)ccc1[N+](=O)[O-] ZINC000774834639 1052174027 /nfs/dbraw/zinc/17/40/27/1052174027.db2.gz GPYIYNXZSRTGRY-CQSZACIVSA-N 0 1 344.411 4.119 20 10 EICDMN CC[C@@H](c1ccccc1)[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774838150 1052189150 /nfs/dbraw/zinc/18/91/50/1052189150.db2.gz BFFZPZIBIXJTQY-INIZCTEOSA-N 0 1 344.411 4.282 20 10 EICDMN Oc1c(F)c(F)ccc1CNc1ccc(-n2cccn2)c(Cl)c1 ZINC000864028321 1053164557 /nfs/dbraw/zinc/16/45/57/1053164557.db2.gz SPHLGRJFUIVJRR-UHFFFAOYSA-N 0 1 335.741 4.122 20 10 EICDMN C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1[O-])c1ccccn1 ZINC000850482562 1053251873 /nfs/dbraw/zinc/25/18/73/1053251873.db2.gz PMCUCKKSHZETMG-RYUDHWBXSA-N 0 1 335.245 4.004 20 10 EICDMN C[C@H]([NH2+]Cc1cccnc1N1CCCC1)c1ccc2ccccc2c1[O-] ZINC000850502547 1053262831 /nfs/dbraw/zinc/26/28/31/1053262831.db2.gz WPFZERLBGRBLDE-INIZCTEOSA-N 0 1 347.462 4.391 20 10 EICDMN CSCC1(CC[NH2+][C@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000850506117 1053262950 /nfs/dbraw/zinc/26/29/50/1053262950.db2.gz FVSTTZGODMKUPO-LLVKDONJSA-N 0 1 344.318 4.339 20 10 EICDMN CC[C@H]([NH2+]CCc1cnccc1C)c1cc(Br)ccc1[O-] ZINC000850505876 1053265575 /nfs/dbraw/zinc/26/55/75/1053265575.db2.gz BXOMRMGPFFSGAM-INIZCTEOSA-N 0 1 349.272 4.142 20 10 EICDMN COc1cccc(OC)c1CN[C@H](C)c1cc(Cl)cc(C)c1O ZINC000850505816 1053266030 /nfs/dbraw/zinc/26/60/30/1053266030.db2.gz YVXGSKCHMICUMT-GFCCVEGCSA-N 0 1 335.831 4.222 20 10 EICDMN CC[C@H]([NH2+][C@@H](COC)c1cccc(OC)c1)c1cc(Cl)ccc1[O-] ZINC000850515534 1053272835 /nfs/dbraw/zinc/27/28/35/1053272835.db2.gz YBLPFHBPBXYINI-ROUUACIJSA-N 0 1 349.858 4.483 20 10 EICDMN C[C@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1ccc2ccccc2c1[O-] ZINC000850532476 1053292632 /nfs/dbraw/zinc/29/26/32/1053292632.db2.gz MAOSWSVZWIGYIS-XZOAIXRZSA-N 0 1 333.378 4.010 20 10 EICDMN C[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)c1cc(Br)ccc1[O-] ZINC000850535825 1053297944 /nfs/dbraw/zinc/29/79/44/1053297944.db2.gz CBWAJLRQTUJDDD-NOZJJQNGSA-N 0 1 334.204 4.241 20 10 EICDMN C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1cc(Br)ccc1[O-] ZINC000850553595 1053306763 /nfs/dbraw/zinc/30/67/63/1053306763.db2.gz ZHGWHWXGTSIVAM-QPUJVOFHSA-N 0 1 334.204 4.097 20 10 EICDMN C[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1ccc(Br)cc1[O-] ZINC000850551474 1053307490 /nfs/dbraw/zinc/30/74/90/1053307490.db2.gz IQEVMHBYYIJIIK-PELKAZGASA-N 0 1 334.204 4.097 20 10 EICDMN C[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1cc(Br)ccc1[O-] ZINC000850553593 1053308015 /nfs/dbraw/zinc/30/80/15/1053308015.db2.gz ZHGWHWXGTSIVAM-PELKAZGASA-N 0 1 334.204 4.097 20 10 EICDMN CC(C)[C@H](O)[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000850555206 1053309272 /nfs/dbraw/zinc/30/92/72/1053309272.db2.gz NKBYHGCASAKIGA-AGRHKRQWSA-N 0 1 333.859 4.454 20 10 EICDMN CC[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cc(Cl)ccc1[O-] ZINC000850565547 1053320316 /nfs/dbraw/zinc/32/03/16/1053320316.db2.gz DCBLNUVHHAMVMM-CYBMUJFWSA-N 0 1 333.806 4.027 20 10 EICDMN C[C@@H](N[C@@H](C)c1nccn1C)c1ccc(N2CCCCCC2)cc1 ZINC000850572496 1053327085 /nfs/dbraw/zinc/32/70/85/1053327085.db2.gz KSCGLTNKRLJNKO-SJORKVTESA-N 0 1 326.488 4.212 20 10 EICDMN Cc1cc(N(C)C)ccc1CN[C@H](C)c1ccc(Br)cn1 ZINC000794799968 1053384422 /nfs/dbraw/zinc/38/44/22/1053384422.db2.gz AQPYCYJAYFSPBP-CYBMUJFWSA-N 0 1 348.288 4.069 20 10 EICDMN COc1ccc([C@H](C)NCc2ccc3c(c2)CCCN3C)c(F)c1 ZINC000765484244 1053564680 /nfs/dbraw/zinc/56/46/80/1053564680.db2.gz AKELXNIHMLZGIG-AWEZNQCLSA-N 0 1 328.431 4.068 20 10 EICDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000865654630 1053567073 /nfs/dbraw/zinc/56/70/73/1053567073.db2.gz SRNBTLLOGXAJFA-OAHLLOKOSA-N 0 1 344.213 4.051 20 10 EICDMN CCN(Cc1ccccc1)c1ccc(CNCc2conc2C)cc1 ZINC000865677973 1053569670 /nfs/dbraw/zinc/56/96/70/1053569670.db2.gz QYIUPOFJRCTUNO-UHFFFAOYSA-N 0 1 335.451 4.299 20 10 EICDMN [O-]c1c(F)cc(Cl)cc1C[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000775697192 1053612666 /nfs/dbraw/zinc/61/26/66/1053612666.db2.gz WPGZUXBHKJHFTH-GOSISDBHSA-N 0 1 349.833 4.057 20 10 EICDMN Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])[C@@H](C)CO1 ZINC000775715469 1053664031 /nfs/dbraw/zinc/66/40/31/1053664031.db2.gz XQCULVTZNDQDNC-KSSFIOAISA-N 0 1 331.843 4.316 20 10 EICDMN CC[C@@H](NCc1noc2ccc(F)cc12)c1ccc(N(C)C)cc1 ZINC000866511863 1053761287 /nfs/dbraw/zinc/76/12/87/1053761287.db2.gz UUJMADUDOVNKBF-QGZVFWFLSA-N 0 1 327.403 4.274 20 10 EICDMN C[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1ccc(Br)cc1[O-] ZINC000854226852 1053783931 /nfs/dbraw/zinc/78/39/31/1053783931.db2.gz ROJMRPVLXNTDSK-MGPLVRAMSA-N 0 1 347.256 4.075 20 10 EICDMN COc1cc(OC)c([C@H](C)NCc2ccc3c(c2)CCO3)cc1Cl ZINC000765607388 1053799557 /nfs/dbraw/zinc/79/95/57/1053799557.db2.gz DKRZJERKZDPVEJ-LBPRGKRZSA-N 0 1 347.842 4.143 20 10 EICDMN Cc1cc(C)c([C@@H](C)NCc2ncc(Br)s2)c(O)c1 ZINC000866619540 1053808648 /nfs/dbraw/zinc/80/86/48/1053808648.db2.gz DMXZXLCWUOZZHZ-SNVBAGLBSA-N 0 1 341.274 4.079 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000776814705 1053928243 /nfs/dbraw/zinc/92/82/43/1053928243.db2.gz FPPGYBVAZMLYOD-CYBMUJFWSA-N 0 1 329.749 4.481 20 10 EICDMN CCn1c(CN[C@H](C)c2ccc(N(C)C)cc2)nc2cc(F)ccc21 ZINC000775835622 1054114213 /nfs/dbraw/zinc/11/42/13/1054114213.db2.gz GXECGJSAEYXDLP-CQSZACIVSA-N 0 1 340.446 4.112 20 10 EICDMN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1nc2c(s1)CCCC2 ZINC000172474148 1054436402 /nfs/dbraw/zinc/43/64/02/1054436402.db2.gz OEIZQVBKFPFFEQ-OAHLLOKOSA-N 0 1 341.524 4.473 20 10 EICDMN CCOc1ccc(O)c(CNC2(c3c(F)cccc3F)CCC2)c1 ZINC000858341353 1054466984 /nfs/dbraw/zinc/46/69/84/1054466984.db2.gz CFXMGBAHYZCQNY-UHFFFAOYSA-N 0 1 333.378 4.238 20 10 EICDMN C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000858490530 1054499357 /nfs/dbraw/zinc/49/93/57/1054499357.db2.gz JUZDEMCKRHVVGQ-VXGBXAGGSA-N 0 1 331.287 4.082 20 10 EICDMN CC[C@@H]([NH2+]Cc1ccc(N(C)C(C)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000858495452 1054502050 /nfs/dbraw/zinc/50/20/50/1054502050.db2.gz DPRRDCGHQIOJLI-GOSISDBHSA-N 0 1 346.858 4.269 20 10 EICDMN [O-]c1c(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)ccc(F)c1F ZINC000876565063 1054931838 /nfs/dbraw/zinc/93/18/38/1054931838.db2.gz XUFGJJOZKNUJTM-CYBMUJFWSA-N 0 1 344.361 4.191 20 10 EICDMN Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000186227813 1055244307 /nfs/dbraw/zinc/24/43/07/1055244307.db2.gz UUDWHDJVEWERSD-CQSZACIVSA-N 0 1 337.467 4.179 20 10 EICDMN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])c2ccccc2O1 ZINC000826042962 1055325603 /nfs/dbraw/zinc/32/56/03/1055325603.db2.gz AIPVWCOQNYYZPK-IAQYHMDHSA-N 0 1 348.240 4.157 20 10 EICDMN CC(C)n1cc2c(n1)[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)CCC2 ZINC000765822355 1055741545 /nfs/dbraw/zinc/74/15/45/1055741545.db2.gz ZXMKIUFWMCVJRP-BEFAXECRSA-N 0 1 326.488 4.258 20 10 EICDMN Cc1oc2c(ccc([O-])c2C[N@H+](C)C2CCC2)c(=O)c1-c1ccccc1 ZINC000742170417 1058528925 /nfs/dbraw/zinc/52/89/25/1058528925.db2.gz TWFCACOXPQNDSS-UHFFFAOYSA-N 0 1 349.430 4.458 20 10 EICDMN C[C@H](C[NH2+]Cc1c([O-])cccc1Cl)Oc1ccc(Cl)cc1 ZINC000742388769 1058586711 /nfs/dbraw/zinc/58/67/11/1058586711.db2.gz SBSUZXCBTWAZTK-LLVKDONJSA-N 0 1 326.223 4.256 20 10 EICDMN Cc1cc(C(=O)Nc2ccc3nc[nH]c3c2)c(C)n1-c1ccc(F)cc1 ZINC000743940880 1059203787 /nfs/dbraw/zinc/20/37/87/1059203787.db2.gz MTJHKOGUEJSYGJ-UHFFFAOYSA-N 0 1 348.381 4.362 20 10 EICDMN CC[C@@H]([NH2+]Cc1cnc(C)s1)c1cc(Br)ccc1[O-] ZINC000040997430 522888746 /nfs/dbraw/zinc/88/87/46/522888746.db2.gz KXNDWZUSIHTXEV-CYBMUJFWSA-N 0 1 341.274 4.161 20 10 EICDMN C[C@@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccco1 ZINC000529391664 1032341145 /nfs/dbraw/zinc/34/11/45/1032341145.db2.gz ILBYROGDZYHYQG-VIFPVBQESA-N 0 1 328.195 4.102 20 10 EICDMN CC(C)c1ncc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000160171797 1018773266 /nfs/dbraw/zinc/77/32/66/1018773266.db2.gz WKMFSLNPBOVBKX-INIZCTEOSA-N 0 1 346.496 4.153 20 10 EICDMN C[C@@H](NCc1nc2cc(Cl)ccc2n1C)c1ccc(N(C)C)cc1 ZINC000274774209 1019427581 /nfs/dbraw/zinc/42/75/81/1019427581.db2.gz JCXCQVSTDCNIBQ-CYBMUJFWSA-N 0 1 342.874 4.144 20 10 EICDMN CC[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1cc(Br)ccc1[O-] ZINC000693132466 1020979460 /nfs/dbraw/zinc/97/94/60/1020979460.db2.gz PRECRPXJGODYSM-BXUZGUMPSA-N 0 1 342.277 4.011 20 10 EICDMN COc1ccc([C@H](C)[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000076275402 1021091028 /nfs/dbraw/zinc/09/10/28/1021091028.db2.gz CEJGNYAMWMUEMC-NSHDSACASA-N 0 1 336.229 4.014 20 10 EICDMN Cc1ccc(O)c([C@H](C)NCc2ccsc2Br)c1 ZINC000282318597 1021894276 /nfs/dbraw/zinc/89/42/76/1021894276.db2.gz DYILYWSVVJNJLE-JTQLQIEISA-N 0 1 326.259 4.375 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](c3ccccc3)C[C@H]2C)c1O ZINC001167398594 1022015766 /nfs/dbraw/zinc/01/57/66/1022015766.db2.gz TWHCAQQRGDIDIR-CZUORRHYSA-N 0 1 327.399 4.112 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](c3ccccc3)C[C@H]2C)c1[O-] ZINC001167398594 1022015785 /nfs/dbraw/zinc/01/57/85/1022015785.db2.gz TWHCAQQRGDIDIR-CZUORRHYSA-N 0 1 327.399 4.112 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](c3ccccc3)C[C@H]2C)c1[O-] ZINC001167398594 1022015804 /nfs/dbraw/zinc/01/58/04/1022015804.db2.gz TWHCAQQRGDIDIR-CZUORRHYSA-N 0 1 327.399 4.112 20 10 EICDMN C[C@@H]([NH2+][C@@H](C)CCc1ccco1)c1cc(Br)ccc1[O-] ZINC000756356383 1022344465 /nfs/dbraw/zinc/34/44/65/1022344465.db2.gz AZCPQWJSCPDCEC-NWDGAFQWSA-N 0 1 338.245 4.420 20 10 EICDMN CC(=O)c1cc(F)cc(C[N@@H+](CCc2cccc(F)c2)C2CC2)c1[O-] ZINC001167429875 1022362800 /nfs/dbraw/zinc/36/28/00/1022362800.db2.gz NTHMPZYMUJIGFW-UHFFFAOYSA-N 0 1 345.389 4.080 20 10 EICDMN CC[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1cc(Br)ccc1[O-] ZINC000312097732 1022638541 /nfs/dbraw/zinc/63/85/41/1022638541.db2.gz SGVDHWIKJPKXDG-PWSUYJOCSA-N 0 1 334.204 4.383 20 10 EICDMN CC[C@@H](NCc1ccc(N(C)C2CCCCC2)cc1)c1nccn1C ZINC000182676542 1022823236 /nfs/dbraw/zinc/82/32/36/1022823236.db2.gz NNLANPKPGIYLRN-HXUWFJFHSA-N 0 1 340.515 4.430 20 10 EICDMN Cc1cc(Cl)cc(CNCc2ncoc2-c2ccccc2)c1O ZINC000378459762 1022830197 /nfs/dbraw/zinc/83/01/97/1022830197.db2.gz ZKZNABCANHMQSX-UHFFFAOYSA-N 0 1 328.799 4.299 20 10 EICDMN C[C@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000187889630 1023301424 /nfs/dbraw/zinc/30/14/24/1023301424.db2.gz SYOSEXDXGDJWSV-AOMKIAJQSA-N 0 1 335.447 4.494 20 10 EICDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1sccc1Br ZINC000112838195 1023318603 /nfs/dbraw/zinc/31/86/03/1023318603.db2.gz GNSDOKUXSGYRKO-UHFFFAOYSA-N 0 1 332.650 4.159 20 10 EICDMN CC[C@H](NCc1nccn1CCCc1ccccc1)c1ccccc1O ZINC000156273326 1023361703 /nfs/dbraw/zinc/36/17/03/1023361703.db2.gz XTFNULMFDKFRJI-FQEVSTJZSA-N 0 1 349.478 4.462 20 10 EICDMN CC[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000368687157 1023745905 /nfs/dbraw/zinc/74/59/05/1023745905.db2.gz IXGIYKQVYSVQRY-BXKDBHETSA-N 0 1 340.254 4.020 20 10 EICDMN CC[C@H]([NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C)c1cc(Br)ccc1[O-] ZINC000686516705 1023803934 /nfs/dbraw/zinc/80/39/34/1023803934.db2.gz VUOFYORUYDHURI-OXIQGZBJSA-N 0 1 342.277 4.009 20 10 EICDMN Cc1cc(O)c(CN(C)Cc2ccc([S@@](C)=O)cc2)cc1C(C)C ZINC000176118579 1024423069 /nfs/dbraw/zinc/42/30/69/1024423069.db2.gz ODXMLCFOYLLHOS-XMMPIXPASA-N 0 1 345.508 4.193 20 10 EICDMN C[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)c1ccc(Br)cc1[O-] ZINC000756784970 1024785639 /nfs/dbraw/zinc/78/56/39/1024785639.db2.gz REGJUQHVUJPGSN-DIFFPNOSSA-N 0 1 347.256 4.352 20 10 EICDMN Cc1noc(C)c1CNCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000367218295 1028591764 /nfs/dbraw/zinc/59/17/64/1028591764.db2.gz RAZZWUZRUASMPK-UHFFFAOYSA-N 0 1 347.462 4.144 20 10 EICDMN COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)c1O ZINC000184694662 1030090661 /nfs/dbraw/zinc/09/06/61/1030090661.db2.gz SUSDIDJNOTYYGV-INIZCTEOSA-N 0 1 332.831 4.095 20 10 EICDMN COc1cc(Cl)cc(CN2CCC[C@H]2c2cccc(C)n2)c1O ZINC000184694662 1030090682 /nfs/dbraw/zinc/09/06/82/1030090682.db2.gz SUSDIDJNOTYYGV-INIZCTEOSA-N 0 1 332.831 4.095 20 10 EICDMN CC[C@@H](N[C@H](C)c1nc(-c2cccc(F)c2)no1)c1ccccc1O ZINC000373447423 1030193553 /nfs/dbraw/zinc/19/35/53/1030193553.db2.gz DEEMGQOMURYOCM-MLGOLLRUSA-N 0 1 341.386 4.383 20 10 EICDMN C[C@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccc2ccccc2c1[O-] ZINC000185878837 1030237995 /nfs/dbraw/zinc/23/79/95/1030237995.db2.gz VMCKVCSDWBQXBU-LIRRHRJNSA-N 0 1 346.430 4.322 20 10 EICDMN C[C@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(F)c(F)c1O ZINC000187899179 1030376227 /nfs/dbraw/zinc/37/62/27/1030376227.db2.gz XPEQPXKHTLUDPH-JTQLQIEISA-N 0 1 332.350 4.118 20 10 EICDMN COc1ccc(O)c([C@@H](C)N[C@@H](c2ccccc2)c2ccccn2)c1 ZINC000359975288 1031901615 /nfs/dbraw/zinc/90/16/15/1031901615.db2.gz QPTBEQNGHPLEED-VFNWGFHPSA-N 0 1 334.419 4.236 20 10 EICDMN C[C@@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)c1cc(Cl)ccc1[O-] ZINC000359972787 1031902237 /nfs/dbraw/zinc/90/22/37/1031902237.db2.gz GWCTZWJQOSYEDH-CYBMUJFWSA-N 0 1 341.842 4.297 20 10 EICDMN C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccc(F)cc1)c1ccc2ccccc2c1[O-] ZINC000248499668 1033860290 /nfs/dbraw/zinc/86/02/90/1033860290.db2.gz MZUQLWXBFUAAJX-PJSUUKDQSA-N 0 1 339.410 4.457 20 10 EICDMN CN(C)c1ccc(CNCc2ccc(Cl)nc2)c(C(F)(F)F)c1 ZINC000279979438 1035110932 /nfs/dbraw/zinc/11/09/32/1035110932.db2.gz QGVUCGBOXWAXHU-UHFFFAOYSA-N 0 1 343.780 4.110 20 10 EICDMN CC[C@@H]([NH2+]CC[C@H]1CCCCO1)c1cc(Br)ccc1[O-] ZINC000229574208 1037260637 /nfs/dbraw/zinc/26/06/37/1037260637.db2.gz RBSUVLHTIODBQV-UKRRQHHQSA-N 0 1 342.277 4.155 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273488025 1037481494 /nfs/dbraw/zinc/48/14/94/1037481494.db2.gz MSTUQWBELLOQGP-KSSFIOAISA-N 0 1 335.806 4.195 20 10 EICDMN CO[C@@H](C)c1nc(CN[C@@H](C)c2cc3c(cc2O)CCCC3)cs1 ZINC000273591026 1037516278 /nfs/dbraw/zinc/51/62/78/1037516278.db2.gz PDFBAFDNBVAMGB-STQMWFEESA-N 0 1 346.496 4.286 20 10 EICDMN C[C@@H]([NH2+][C@H]1CCS[C@H](C)C1)c1ccc(Br)cc1[O-] ZINC000927033778 1039271768 /nfs/dbraw/zinc/27/17/68/1039271768.db2.gz UICWFTWXFMASEV-FOGDFJRCSA-N 0 1 330.291 4.089 20 10 EICDMN C[C@@H]([NH2+]C[C@@H]1CCCCS1)c1ccc(Br)cc1[O-] ZINC000757659604 1039980103 /nfs/dbraw/zinc/98/01/03/1039980103.db2.gz XRMCQYIFDQETGI-PWSUYJOCSA-N 0 1 330.291 4.091 20 10 EICDMN CC[C@H]([NH2+]C[C@@H](C)CC(F)F)c1cc(Br)ccc1[O-] ZINC000697702757 1040230622 /nfs/dbraw/zinc/23/06/22/1040230622.db2.gz WVFJORJHRCAHQR-CABZTGNLSA-N 0 1 336.220 4.487 20 10 EICDMN COc1ccc([C@@H](C)NCc2c(C)c3ccccc3n2C)c(F)c1 ZINC000479441433 1040347182 /nfs/dbraw/zinc/34/71/82/1040347182.db2.gz VWOWFJAPMRUTIT-CQSZACIVSA-N 0 1 326.415 4.485 20 10 EICDMN 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[O-]c1cc(F)c(Br)cc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001144306934 1048584059 /nfs/dbraw/zinc/58/40/59/1048584059.db2.gz XCEYDZSGAFZEEV-IINYFYTJSA-N 0 1 328.225 4.058 20 10 EICDMN CCOc1ccc(CN(C)Cc2cc(Cl)ccc2OC)c(O)c1 ZINC000768208154 1048630561 /nfs/dbraw/zinc/63/05/61/1048630561.db2.gz SWFRAVRVOFFCFU-UHFFFAOYSA-N 0 1 335.831 4.085 20 10 EICDMN CC[C@H]([NH2+]CCc1c(C)noc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810216905 1048686399 /nfs/dbraw/zinc/68/63/99/1048686399.db2.gz RNNNRUMCRDFAAF-HNNXBMFYSA-N 0 1 342.361 4.299 20 10 EICDMN CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220167 1048687779 /nfs/dbraw/zinc/68/77/79/1048687779.db2.gz RCAXTJNKTUKCHJ-CLWVCHIJSA-N 0 1 343.389 4.265 20 10 EICDMN CC[C@H]([NH2+][C@H](C)C[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810224655 1048691892 /nfs/dbraw/zinc/69/18/92/1048691892.db2.gz XARGMUYPEYPEMU-XUJVJEKNSA-N 0 1 331.378 4.267 20 10 EICDMN CC[C@H]([NH2+]C[C@@H]1CCO[C@@H](C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810222979 1048692472 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0 1 343.389 4.409 20 10 EICDMN CC[C@H]([NH2+]CC1(CO)CCCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236448 1048720372 /nfs/dbraw/zinc/72/03/72/1048720372.db2.gz GCBLJACJIZKZCS-AWEZNQCLSA-N 0 1 331.378 4.004 20 10 EICDMN COc1cc(C[N@H+](C)Cc2ccc3ccccc3c2[O-])cc(OC)c1 ZINC000816489033 1048814573 /nfs/dbraw/zinc/81/45/73/1048814573.db2.gz KKKPXNPRAILSBD-UHFFFAOYSA-N 0 1 337.419 4.195 20 10 EICDMN COc1cc(C[N@@H+](C)Cc2ccc3ccccc3c2[O-])cc(OC)c1 ZINC000816489033 1048814579 /nfs/dbraw/zinc/81/45/79/1048814579.db2.gz KKKPXNPRAILSBD-UHFFFAOYSA-N 0 1 337.419 4.195 20 10 EICDMN [O-]c1c(C[NH2+]Cc2ccc(-n3cccn3)cc2)ccc2ccccc21 ZINC000816535408 1048825147 /nfs/dbraw/zinc/82/51/47/1048825147.db2.gz NTJCGNBXJCAMNE-UHFFFAOYSA-N 0 1 329.403 4.021 20 10 EICDMN [O-]c1c(C[NH2+]CCCOCCc2ccccc2)ccc2ccccc21 ZINC000816536974 1048825162 /nfs/dbraw/zinc/82/51/62/1048825162.db2.gz PGHJGXCPMPNDEK-UHFFFAOYSA-N 0 1 335.447 4.284 20 10 EICDMN [O-]c1c(C[NH2+]CCCc2nc3ccccc3[nH]2)ccc2ccccc21 ZINC000816542132 1048826585 /nfs/dbraw/zinc/82/65/85/1048826585.db2.gz DNXKWBGMAWAXCM-UHFFFAOYSA-N 0 1 331.419 4.144 20 10 EICDMN CCOc1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cc1F ZINC000816546739 1048828642 /nfs/dbraw/zinc/82/86/42/1048828642.db2.gz USMXOHMZOATPJB-UHFFFAOYSA-N 0 1 325.383 4.373 20 10 EICDMN COc1cccc([C@@H](C)N[C@@H](COCC(C)C)c2ccco2)c1O ZINC000846143676 1048832131 /nfs/dbraw/zinc/83/21/31/1048832131.db2.gz FPJJSYJMTMRCJX-ZBFHGGJFSA-N 0 1 333.428 4.058 20 10 EICDMN C[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])Oc1ccccc1F ZINC000816554408 1048833652 /nfs/dbraw/zinc/83/36/52/1048833652.db2.gz XXBSQUVEBOJMNO-AWEZNQCLSA-N 0 1 325.383 4.242 20 10 EICDMN Cc1noc(C2CCC([NH2+]Cc3ccc4ccccc4c3[O-])CC2)n1 ZINC000816554966 1048834270 /nfs/dbraw/zinc/83/42/70/1048834270.db2.gz OTDHRGQNKMGBPC-UHFFFAOYSA-N 0 1 337.423 4.053 20 10 EICDMN CC(C)(C)OC(=O)CCCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816560567 1048835479 /nfs/dbraw/zinc/83/54/79/1048835479.db2.gz SPHHZYXPPPXYDF-UHFFFAOYSA-N 0 1 329.440 4.147 20 10 EICDMN CCn1ccnc1[C@H]1CCCCN1Cc1cc(Cl)c(F)cc1O ZINC000816598340 1048840612 /nfs/dbraw/zinc/84/06/12/1048840612.db2.gz YAZDQYCEHKGJDD-OAHLLOKOSA-N 0 1 337.826 4.128 20 10 EICDMN CN(CCC[N@@H+](C)Cc1ccc2ccccc2c1O)Cc1ccco1 ZINC000816609963 1048843883 /nfs/dbraw/zinc/84/38/83/1048843883.db2.gz TXYYCUHRAOYMIX-UHFFFAOYSA-N 0 1 338.451 4.092 20 10 EICDMN CN(CCC[N@H+](C)Cc1ccc2ccccc2c1[O-])Cc1ccco1 ZINC000816609963 1048843887 /nfs/dbraw/zinc/84/38/87/1048843887.db2.gz TXYYCUHRAOYMIX-UHFFFAOYSA-N 0 1 338.451 4.092 20 10 EICDMN CN(CCC[N@@H+](C)Cc1ccc2ccccc2c1[O-])Cc1ccco1 ZINC000816609963 1048843889 /nfs/dbraw/zinc/84/38/89/1048843889.db2.gz TXYYCUHRAOYMIX-UHFFFAOYSA-N 0 1 338.451 4.092 20 10 EICDMN CN(C)c1ccc(CN(Cc2cnc(Cl)c(F)c2)C2CC2)cc1 ZINC000846775885 1048893315 /nfs/dbraw/zinc/89/33/15/1048893315.db2.gz DYHXMDUQALFAHP-UHFFFAOYSA-N 0 1 333.838 4.105 20 10 EICDMN C[C@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CCC1(F)F ZINC000811513492 1049126878 /nfs/dbraw/zinc/12/68/78/1049126878.db2.gz ZVXYONJAFVIBHQ-NSHDSACASA-N 0 1 336.348 4.249 20 10 EICDMN [O-]c1cc2ccccc2cc1C[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171351081 1049506657 /nfs/dbraw/zinc/50/66/57/1049506657.db2.gz RCBDSPBKUOCRIH-SFHVURJKSA-N 0 1 339.385 4.471 20 10 EICDMN COC(=O)c1cccc(NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000036890846 1049646932 /nfs/dbraw/zinc/64/69/32/1049646932.db2.gz NZACOCSLGRXBEO-UHFFFAOYSA-N 0 1 326.179 4.098 20 10 EICDMN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@H]1OCCc2sccc21 ZINC000813884342 1049831607 /nfs/dbraw/zinc/83/16/07/1049831607.db2.gz IGVOXSKPWBHJRF-WVQJBOLRSA-N 0 1 337.872 4.460 20 10 EICDMN Cc1cc(N(C)C)ccc1CN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000823851615 1049881692 /nfs/dbraw/zinc/88/16/92/1049881692.db2.gz RRIMUMMHGGMTPZ-MRXNPFEDSA-N 0 1 334.385 4.255 20 10 EICDMN COc1ccccc1[C@@H](NCc1cc(F)ccc1O)c1ccccc1 ZINC000180704770 1049929232 /nfs/dbraw/zinc/92/92/32/1049929232.db2.gz GLOYVZHHXYEQIY-NRFANRHFSA-N 0 1 337.394 4.419 20 10 EICDMN CCOc1cncc(CNCc2cc(C)n(-c3ccccc3)c2C)c1 ZINC001179339204 1050679204 /nfs/dbraw/zinc/67/92/04/1050679204.db2.gz ZCSBACZPOUXYGV-UHFFFAOYSA-N 0 1 335.451 4.178 20 10 EICDMN C[C@H](Cc1cccs1)[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC001180064894 1050872924 /nfs/dbraw/zinc/87/29/24/1050872924.db2.gz ZFUNCIPRVYINDZ-LLVKDONJSA-N 0 1 340.286 4.279 20 10 EICDMN C[C@H](Cc1cccs1)[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC001180064894 1050872928 /nfs/dbraw/zinc/87/29/28/1050872928.db2.gz ZFUNCIPRVYINDZ-LLVKDONJSA-N 0 1 340.286 4.279 20 10 EICDMN Cc1cccc(N2CCN(Cc3cc(Cl)c(C)cc3O)CC2)c1C ZINC001180103113 1050886478 /nfs/dbraw/zinc/88/64/78/1050886478.db2.gz DDISSEPXKMLUHY-UHFFFAOYSA-N 0 1 344.886 4.293 20 10 EICDMN CC[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC001180378824 1050974918 /nfs/dbraw/zinc/97/49/18/1050974918.db2.gz JHFPNELHRXBUSW-CYBMUJFWSA-N 0 1 335.394 4.132 20 10 EICDMN CCN(CC)c1ccc(CN(C)Cc2cccc3[nH]c(=O)oc32)cc1 ZINC001180364195 1050983918 /nfs/dbraw/zinc/98/39/18/1050983918.db2.gz PUMKRVMXSXXOAK-UHFFFAOYSA-N 0 1 339.439 4.012 20 10 EICDMN Oc1c(CN2CCc3c2cccc3C(F)(F)F)ccc(F)c1F ZINC001180740000 1051070101 /nfs/dbraw/zinc/07/01/01/1051070101.db2.gz JESKAFMGBJHHOS-UHFFFAOYSA-N 0 1 329.268 4.252 20 10 EICDMN CC[N@H+](CCCC(C)(F)F)Cc1cc(Br)ccc1[O-] ZINC001191267791 1051411566 /nfs/dbraw/zinc/41/15/66/1051411566.db2.gz HZIBJUTYOMOCSH-UHFFFAOYSA-N 0 1 336.220 4.412 20 10 EICDMN CC[N@@H+](CCCC(C)(F)F)Cc1cc(Br)ccc1[O-] ZINC001191267791 1051411571 /nfs/dbraw/zinc/41/15/71/1051411571.db2.gz HZIBJUTYOMOCSH-UHFFFAOYSA-N 0 1 336.220 4.412 20 10 EICDMN CCC[N@H+](Cc1cc(Br)cc(OC)c1[O-])[C@@H](C)CC ZINC001204336185 1051510762 /nfs/dbraw/zinc/51/07/62/1051510762.db2.gz FPVJVCVSRQKAAW-NSHDSACASA-N 0 1 330.266 4.174 20 10 EICDMN CCC[N@@H+](Cc1cc(Br)cc(OC)c1[O-])[C@@H](C)CC ZINC001204336185 1051510772 /nfs/dbraw/zinc/51/07/72/1051510772.db2.gz FPVJVCVSRQKAAW-NSHDSACASA-N 0 1 330.266 4.174 20 10 EICDMN CCCOc1ncccc1C[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775491187 1051575807 /nfs/dbraw/zinc/57/58/07/1051575807.db2.gz ZLPRHSXPHWUKND-INIZCTEOSA-N 0 1 334.847 4.470 20 10 EICDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC001182460628 1051592567 /nfs/dbraw/zinc/59/25/67/1051592567.db2.gz AKTMAVRDQWEUAF-VIFPVBQESA-N 0 1 325.733 4.349 20 10 EICDMN CC[C@H]([NH2+]Cc1ccc(OCCOC)cc1)c1cc(Cl)ccc1[O-] ZINC000775493319 1051603854 /nfs/dbraw/zinc/60/38/54/1051603854.db2.gz XJYXJQDVFWBFKS-SFHVURJKSA-N 0 1 349.858 4.312 20 10 EICDMN CC[C@@H]([NH2+]Cc1ccc2c(c1)OCCCO2)c1cc(Cl)ccc1[O-] ZINC000775498524 1051630322 /nfs/dbraw/zinc/63/03/22/1051630322.db2.gz MKAVUTWXLNQQJT-MRXNPFEDSA-N 0 1 347.842 4.448 20 10 EICDMN CC[C@H]([NH2+][C@H](CCO)c1ccc(OC)cc1)c1cc(Cl)ccc1[O-] ZINC000775514210 1051659450 /nfs/dbraw/zinc/65/94/50/1051659450.db2.gz RWOFOVXNIVCTKI-ZWKOTPCHSA-N 0 1 349.858 4.219 20 10 EICDMN CC[C@@H]([NH2+]CCc1cn2cccc(C)c2n1)c1cc(Cl)ccc1[O-] ZINC000775513103 1051659466 /nfs/dbraw/zinc/65/94/66/1051659466.db2.gz NTJFTCLKJCWIRP-QGZVFWFLSA-N 0 1 343.858 4.285 20 10 EICDMN Cc1[nH]nc2ccc(-n3c(=N)ccc(N=Nc4ccccc4)c3N)cc12 ZINC001175696538 1051705439 /nfs/dbraw/zinc/70/54/39/1051705439.db2.gz ZJZCSGLHAPXCCC-MBMGKEIASA-N 0 1 343.394 4.139 20 10 EICDMN CC[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1cc(Cl)ccc1[O-] ZINC000775525233 1051706587 /nfs/dbraw/zinc/70/65/87/1051706587.db2.gz FFNINYHTAIAKKS-ZBFHGGJFSA-N 0 1 341.785 4.098 20 10 EICDMN CC[C@H]([NH2+][C@@H](C)[C@@H](O)c1cccc(F)c1)c1cc(Cl)ccc1[O-] ZINC000775528405 1051739313 /nfs/dbraw/zinc/73/93/13/1051739313.db2.gz YBLBSXPZGLXAHA-SDDDUWNISA-N 0 1 337.822 4.348 20 10 EICDMN CC[C@H]([NH2+]CCOCC1CCC1)c1cc(Br)ccc1[O-] ZINC000775556237 1051829493 /nfs/dbraw/zinc/82/94/93/1051829493.db2.gz UZFVTWSVYIRHMM-HNNXBMFYSA-N 0 1 342.277 4.012 20 10 EICDMN COc1ccc(CC[N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC001203580035 1051936523 /nfs/dbraw/zinc/93/65/23/1051936523.db2.gz JTCUYLVYXILTGJ-UHFFFAOYSA-N 0 1 340.250 4.382 20 10 EICDMN COc1c([O-])c(C[N@@H+](C)[C@H](C)c2ccc(C)cc2C)ccc1[N+](=O)[O-] ZINC000774834241 1052176562 /nfs/dbraw/zinc/17/65/62/1052176562.db2.gz DYEKGGZSRSOCSF-CQSZACIVSA-N 0 1 344.411 4.119 20 10 EICDMN COc1c([O-])c(C[N@@H+]([C@H](C)c2ccccc2)C2CC2)ccc1[N+](=O)[O-] ZINC000774835390 1052178097 /nfs/dbraw/zinc/17/80/97/1052178097.db2.gz KVTLARWLPQXANS-CYBMUJFWSA-N 0 1 342.395 4.035 20 10 EICDMN CSc1cccc(NCc2ccc(N3CCN(C)CC3)cc2)c1C ZINC000774830898 1052179866 /nfs/dbraw/zinc/17/98/66/1052179866.db2.gz GITVRALFVJUOBS-UHFFFAOYSA-N 0 1 341.524 4.081 20 10 EICDMN C[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc2ccccc2c1[O-] ZINC000185162651 1052497156 /nfs/dbraw/zinc/49/71/56/1052497156.db2.gz YJSKLTANIOVMED-YJYMSZOUSA-N 0 1 325.383 4.069 20 10 EICDMN Cc1cc2cc[nH]c2c(NCc2cc(Cl)c3cccnc3c2O)n1 ZINC001168528252 1052616260 /nfs/dbraw/zinc/61/62/60/1052616260.db2.gz RCWYBPBHBKQJJC-UHFFFAOYSA-N 0 1 338.798 4.391 20 10 EICDMN COc1cc(CNC(C)(C)c2nc(C)cs2)c(O)c(C(C)(C)C)c1 ZINC000850138832 1053077697 /nfs/dbraw/zinc/07/76/97/1053077697.db2.gz KIBLQUUUAWHWOE-UHFFFAOYSA-N 0 1 348.512 4.488 20 10 EICDMN CC[N@H+](Cc1ccc(C)nc1C)Cc1cc(Br)ccc1[O-] ZINC000775610011 1053090901 /nfs/dbraw/zinc/09/09/01/1053090901.db2.gz IVWYFTZGPUBHPO-UHFFFAOYSA-N 0 1 349.272 4.189 20 10 EICDMN CC[N@@H+](Cc1ccc(C)nc1C)Cc1cc(Br)ccc1[O-] ZINC000775610011 1053090925 /nfs/dbraw/zinc/09/09/25/1053090925.db2.gz IVWYFTZGPUBHPO-UHFFFAOYSA-N 0 1 349.272 4.189 20 10 EICDMN C[C@@H](NCc1cccc(OC2CC2)c1F)c1ccc(N(C)C)cc1 ZINC000850251713 1053099290 /nfs/dbraw/zinc/09/92/90/1053099290.db2.gz DBBQMKXMQHVHAZ-CQSZACIVSA-N 0 1 328.431 4.284 20 10 EICDMN CCN(CC)c1ccc(CNc2ccc(F)c(-c3nc[nH]n3)c2)cc1 ZINC000864011959 1053135245 /nfs/dbraw/zinc/13/52/45/1053135245.db2.gz JIUKOVXJEGELLV-UHFFFAOYSA-N 0 1 339.418 4.069 20 10 EICDMN Cc1cc(C)n(-c2ccc(NCc3ccc(F)c(F)c3O)cc2F)n1 ZINC000864026052 1053162093 /nfs/dbraw/zinc/16/20/93/1053162093.db2.gz VIRUWAQBCUDHCI-UHFFFAOYSA-N 0 1 347.340 4.224 20 10 EICDMN CCOc1cc2c(cc1NCc1ccc(F)c(F)c1O)O[C@@H](C)C2 ZINC000864027276 1053164920 /nfs/dbraw/zinc/16/49/20/1053164920.db2.gz YNHGLGUAITWYAI-JTQLQIEISA-N 0 1 335.350 4.005 20 10 EICDMN C[C@@H](N[C@H](C)c1ccc(Br)cc1O)c1cscn1 ZINC000850511788 1053270967 /nfs/dbraw/zinc/27/09/67/1053270967.db2.gz NDONDHJYNSHCQB-RKDXNWHRSA-N 0 1 327.247 4.023 20 10 EICDMN CC[C@@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1cc(Cl)ccc1[O-] ZINC000850485551 1053254748 /nfs/dbraw/zinc/25/47/48/1053254748.db2.gz KZZUGNSJJHEMIJ-GFCCVEGCSA-N 0 1 345.752 4.095 20 10 EICDMN CC[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850523800 1053281635 /nfs/dbraw/zinc/28/16/35/1053281635.db2.gz PJOYSCUHAAPCFO-TZMCWYRMSA-N 0 1 329.362 4.163 20 10 EICDMN C[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1ccc(Br)cc1[O-] ZINC000850537655 1053300341 /nfs/dbraw/zinc/30/03/41/1053300341.db2.gz WQOOUUKHUIHEOY-ZANVPECISA-N 0 1 334.204 4.241 20 10 EICDMN C[C@@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1ccc2ccccc2c1[O-] ZINC000850552630 1053306458 /nfs/dbraw/zinc/30/64/58/1053306458.db2.gz XBUXEGBTYSCNJE-CQSZACIVSA-N 0 1 335.451 4.397 20 10 EICDMN COc1ccc(O)c(CN(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)c1 ZINC000775650372 1053368162 /nfs/dbraw/zinc/36/81/62/1053368162.db2.gz YYIGCAPLNDPTMU-UGSOOPFHSA-N 0 1 327.424 4.282 20 10 EICDMN C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@H](c2ccccc2)O1 ZINC000775661058 1053428580 /nfs/dbraw/zinc/42/85/80/1053428580.db2.gz IASKGRKTAXQQJY-SJKOYZFVSA-N 0 1 335.806 4.147 20 10 EICDMN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@H](c2ccccc2)O1 ZINC000775661058 1053428583 /nfs/dbraw/zinc/42/85/83/1053428583.db2.gz IASKGRKTAXQQJY-SJKOYZFVSA-N 0 1 335.806 4.147 20 10 EICDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@H](c2ccccc2)O1 ZINC000775661058 1053428587 /nfs/dbraw/zinc/42/85/87/1053428587.db2.gz IASKGRKTAXQQJY-SJKOYZFVSA-N 0 1 335.806 4.147 20 10 EICDMN CCCN(CCC)c1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1 ZINC000765278258 1053487481 /nfs/dbraw/zinc/48/74/81/1053487481.db2.gz CGGYOMFSZQWPFS-IBGZPJMESA-N 0 1 326.488 4.203 20 10 EICDMN CCOCc1cc(CN[C@@H](C)c2ccccc2OC)ccc1OC ZINC000865821234 1053598187 /nfs/dbraw/zinc/59/81/87/1053598187.db2.gz BWSWQBPUNSXYGG-HNNXBMFYSA-N 0 1 329.440 4.091 20 10 EICDMN COc1ccc(N2CCC(N[C@@H](CF)c3ccc(F)cc3)CC2)cc1 ZINC000865822825 1053600011 /nfs/dbraw/zinc/60/00/11/1053600011.db2.gz OJURNNNUMBGFDC-FQEVSTJZSA-N 0 1 346.421 4.104 20 10 EICDMN CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)Cc1cccc(Cl)c1[O-] ZINC000775705262 1053622891 /nfs/dbraw/zinc/62/28/91/1053622891.db2.gz IBDVYMPDVMVRMH-SFHVURJKSA-N 0 1 333.859 4.065 20 10 EICDMN CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2cccc(Cl)c2[O-])c1 ZINC000775707666 1053640386 /nfs/dbraw/zinc/64/03/86/1053640386.db2.gz YJEWEIMMKFUQME-SFHVURJKSA-N 0 1 330.859 4.449 20 10 EICDMN CC[C@H]([NH2+]CCOC1CCCC1)c1cc(Br)ccc1[O-] ZINC000111634285 1053715246 /nfs/dbraw/zinc/71/52/46/1053715246.db2.gz OQNWPHCJCSHEDT-HNNXBMFYSA-N 0 1 342.277 4.155 20 10 EICDMN C[C@H](NCc1ccnc(F)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000866474417 1053745056 /nfs/dbraw/zinc/74/50/56/1053745056.db2.gz OQJLDAHCLKMEST-AWEZNQCLSA-N 0 1 331.410 4.201 20 10 EICDMN C[C@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1ccc2ccccc2c1[O-] ZINC000866530233 1053769890 /nfs/dbraw/zinc/76/98/90/1053769890.db2.gz ZGOJBYYTMCVXOD-RDJZCZTQSA-N 0 1 325.452 4.403 20 10 EICDMN C[C@@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1cc(Br)ccc1[O-] ZINC000854225898 1053782988 /nfs/dbraw/zinc/78/29/88/1053782988.db2.gz MKOFOEDEWOCLJM-QLJPJBMISA-N 0 1 347.256 4.075 20 10 EICDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000776814706 1053927790 /nfs/dbraw/zinc/92/77/90/1053927790.db2.gz FPPGYBVAZMLYOD-ZDUSSCGKSA-N 0 1 329.749 4.481 20 10 EICDMN CCc1ccc(CC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000857508394 1054287421 /nfs/dbraw/zinc/28/74/21/1054287421.db2.gz RCLVMCJCCYDWJB-UHFFFAOYSA-N 0 1 338.234 4.120 20 10 EICDMN C[C@H]1C[C@@H]1c1ccc(CNCc2c(O)cccc2Br)o1 ZINC000858100808 1054416004 /nfs/dbraw/zinc/41/60/04/1054416004.db2.gz NOUFQTSUBUHMEV-JQWIXIFHSA-N 0 1 336.229 4.161 20 10 EICDMN Cc1cccc2c1OCC[C@H]2[NH2+]Cc1c([O-])cccc1Br ZINC000858117716 1054420214 /nfs/dbraw/zinc/42/02/14/1054420214.db2.gz YBOROFDIKRQDKG-OAHLLOKOSA-N 0 1 348.240 4.077 20 10 EICDMN Cc1cccc2c1OCC[C@H]2NCc1c(O)cccc1Br ZINC000858117716 1054420222 /nfs/dbraw/zinc/42/02/22/1054420222.db2.gz YBOROFDIKRQDKG-OAHLLOKOSA-N 0 1 348.240 4.077 20 10 EICDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000858128719 1054421369 /nfs/dbraw/zinc/42/13/69/1054421369.db2.gz ZPRIPADCJKCQCA-HNNXBMFYSA-N 0 1 336.204 4.071 20 10 EICDMN C[C@H](CCCC(F)(F)F)[NH2+]Cc1c([O-])cccc1Br ZINC000858160255 1054427344 /nfs/dbraw/zinc/42/73/44/1054427344.db2.gz GGBICTAKPLZZRX-SECBINFHSA-N 0 1 340.183 4.365 20 10 EICDMN CN(C)c1ccc(CNCc2cc(C(F)(F)F)cc(Cl)n2)cc1 ZINC000873168456 1054496707 /nfs/dbraw/zinc/49/67/07/1054496707.db2.gz ATADMQKEQGHTIU-UHFFFAOYSA-N 0 1 343.780 4.110 20 10 EICDMN Cc1cc(CN[C@H](C)c2cnc(C)nc2C)c(C)n1-c1ccccc1 ZINC000858541510 1054511699 /nfs/dbraw/zinc/51/16/99/1054511699.db2.gz ARCYROMALNIUTK-OAHLLOKOSA-N 0 1 334.467 4.352 20 10 EICDMN COc1cc(CN(C)Cc2ccc(C)cn2)c(O)c(C(C)(C)C)c1 ZINC000825671883 1054521923 /nfs/dbraw/zinc/52/19/23/1054521923.db2.gz RLDJTXNZNWVWMT-UHFFFAOYSA-N 0 1 328.456 4.034 20 10 EICDMN C[C@@H](CCCC(F)(F)F)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825691763 1054588392 /nfs/dbraw/zinc/58/83/92/1054588392.db2.gz BBLNXACWFQMGIR-VIFPVBQESA-N 0 1 340.183 4.365 20 10 EICDMN CCOCCOc1cc(C)ccc1CNCc1ccc(OC)c(C)c1 ZINC001201035594 1054643512 /nfs/dbraw/zinc/64/35/12/1054643512.db2.gz IBSTZVWXWBSQKD-UHFFFAOYSA-N 0 1 343.467 4.017 20 10 EICDMN Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc(Br)ccc1[O-])CC2 ZINC000776174138 1054803868 /nfs/dbraw/zinc/80/38/68/1054803868.db2.gz ANFJDIYHLHGWRX-MRXNPFEDSA-N 0 1 332.241 4.240 20 10 EICDMN CN(Cc1ccc(N2CCCCC2)cc1)Cc1cccc(Cl)n1 ZINC000075611465 1054814750 /nfs/dbraw/zinc/81/47/50/1054814750.db2.gz LDCBJKUXRUBJOM-UHFFFAOYSA-N 0 1 329.875 4.357 20 10 EICDMN CC(C)Nc1ccc(Nc2cc(F)ccc2N2CCN(C)CC2)cc1 ZINC001201498184 1054819995 /nfs/dbraw/zinc/81/99/95/1054819995.db2.gz RGDBFAOTCHFLKH-UHFFFAOYSA-N 0 1 342.462 4.141 20 10 EICDMN C[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000876656245 1054945309 /nfs/dbraw/zinc/94/53/09/1054945309.db2.gz ISNSZJDULUIDLU-OXJNMPFZSA-N 0 1 347.405 4.270 20 10 EICDMN CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000825935147 1055024222 /nfs/dbraw/zinc/02/42/22/1055024222.db2.gz NWHKJDPYCIZDQM-HNNXBMFYSA-N 0 1 335.245 4.133 20 10 EICDMN CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000825935147 1055024237 /nfs/dbraw/zinc/02/42/37/1055024237.db2.gz NWHKJDPYCIZDQM-HNNXBMFYSA-N 0 1 335.245 4.133 20 10 EICDMN C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862326513 1055048962 /nfs/dbraw/zinc/04/89/62/1055048962.db2.gz PHNJHGWHDYWCGU-LRDDRELGSA-N 0 1 347.256 4.133 20 10 EICDMN C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862326513 1055048978 /nfs/dbraw/zinc/04/89/78/1055048978.db2.gz PHNJHGWHDYWCGU-LRDDRELGSA-N 0 1 347.256 4.133 20 10 EICDMN Oc1ccc(-c2ccccc2)cc1CNc1cnccc1-n1cccn1 ZINC000776257325 1055094909 /nfs/dbraw/zinc/09/49/09/1055094909.db2.gz LJZNVMOYSDYDOP-UHFFFAOYSA-N 0 1 342.402 4.252 20 10 EICDMN CCOc1c(Cl)cccc1CNCc1ccc(N(C)C)c(F)c1 ZINC000785440437 1055315947 /nfs/dbraw/zinc/31/59/47/1055315947.db2.gz BHIKTVPSNCTWEG-UHFFFAOYSA-N 0 1 336.838 4.234 20 10 EICDMN Cc1ccccc1[C@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)[C@@H](C)CO1 ZINC000742167806 1058529280 /nfs/dbraw/zinc/52/92/80/1058529280.db2.gz JBGAQWJYQCMHNI-KSFYIVLOSA-N 0 1 348.446 4.211 20 10 EICDMN Cc1ccccc1[C@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)[C@@H](C)CO1 ZINC000742167806 1058529297 /nfs/dbraw/zinc/52/92/97/1058529297.db2.gz JBGAQWJYQCMHNI-KSFYIVLOSA-N 0 1 348.446 4.211 20 10 EICDMN CC(C)c1nc(CN(C)c2ccc(OCc3ccccc3)cc2)n[nH]1 ZINC001169343430 1060777529 /nfs/dbraw/zinc/77/75/29/1060777529.db2.gz UHOKIMAYXJEDEV-UHFFFAOYSA-N 0 1 336.439 4.144 20 10 EICDMN Cc1oc2ccccc2c1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000767193721 1061142964 /nfs/dbraw/zinc/14/29/64/1061142964.db2.gz DTHYSTBMJSJFRR-UHFFFAOYSA-N 0 1 346.224 4.499 20 10 EICDMN