smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1cccc(Cl)c1CNCc1cocn1 ZINC000381566092 710657413 /nfs/dbraw/zinc/65/74/13/710657413.db2.gz UJGCUAQTAVESEY-UHFFFAOYSA-N 0 0 238.674 2.323 20 10 BECDRN C[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1ccc(F)cc1[O-] ZINC000393968981 711180871 /nfs/dbraw/zinc/18/08/71/711180871.db2.gz ITQPQXDEZFKNEC-BDAKNGLRSA-N 0 0 241.306 2.341 20 10 BECDRN CC[C@@]1(C)CCN(C(=O)c2cccc(O)c2O)C1 ZINC000399303098 711427677 /nfs/dbraw/zinc/42/76/77/711427677.db2.gz OAOFZEOFOQSXFD-AWEZNQCLSA-N 0 0 249.310 2.360 20 10 BECDRN Nc1ccc(NC(=O)C2CC(F)(F)C2)cc1 ZINC000383399762 711665378 /nfs/dbraw/zinc/66/53/78/711665378.db2.gz RQFBIBPVYCIEAY-UHFFFAOYSA-N 0 0 226.226 2.253 20 10 BECDRN CC1(C)C[C@]1(C)NC(=O)c1cccc(O)c1O ZINC000702346114 712045653 /nfs/dbraw/zinc/04/56/53/712045653.db2.gz OZCIPKQKFNFSDB-ZDUSSCGKSA-N 0 0 235.283 2.016 20 10 BECDRN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H]3C[C@H]32)c1[O-] ZINC000707054672 712164253 /nfs/dbraw/zinc/16/42/53/712164253.db2.gz PAKNPALNKVDUFC-TVQRCGJNSA-N 0 0 249.285 2.328 20 10 BECDRN O=C(c1cccc(O)c1O)N1CCC12CCCC2 ZINC000707150332 712166230 /nfs/dbraw/zinc/16/62/30/712166230.db2.gz CLKACHHIOBWGIY-UHFFFAOYSA-N 0 0 247.294 2.257 20 10 BECDRN CSCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708390041 712191810 /nfs/dbraw/zinc/19/18/10/712191810.db2.gz NQXSFARJIICWTD-UHFFFAOYSA-N 0 0 233.283 2.123 20 10 BECDRN CCOC[C@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708481270 712192793 /nfs/dbraw/zinc/19/27/93/712192793.db2.gz BPCADXVNLOTRBM-QMMMGPOBSA-N 0 0 245.269 2.185 20 10 BECDRN CCc1cccc(CNc2cnn(C)c2)c1O ZINC000709407065 712221302 /nfs/dbraw/zinc/22/13/02/712221302.db2.gz OOYHIYTYSOOMNT-UHFFFAOYSA-N 0 0 231.299 2.300 20 10 BECDRN C[C@@H]([NH2+]CCc1cn[nH]c1)c1ccc(F)cc1[O-] ZINC000379591058 712389634 /nfs/dbraw/zinc/38/96/34/712389634.db2.gz WDIUQPASQOGHTH-SECBINFHSA-N 0 0 249.289 2.148 20 10 BECDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000716437858 712560276 /nfs/dbraw/zinc/56/02/76/712560276.db2.gz MFRQOKCTXXIBKW-ZJNJWXDTSA-N 0 0 230.311 2.499 20 10 BECDRN [O-]c1c(F)cccc1C[NH2+]C[C@H]1CCC=CO1 ZINC000379958860 712636812 /nfs/dbraw/zinc/63/68/12/712636812.db2.gz ADLOUXBTRPRXIZ-LLVKDONJSA-N 0 0 237.274 2.314 20 10 BECDRN C[C@H](C(=O)Nc1ccc(N)cc1)[C@@H]1CCCO1 ZINC000720585363 712854526 /nfs/dbraw/zinc/85/45/26/712854526.db2.gz VURLHNSKHIPOCW-CABZTGNLSA-N 0 0 234.299 2.022 20 10 BECDRN CC(F)(F)CNCc1ccccc1O ZINC000382190117 957621216 /nfs/dbraw/zinc/62/12/16/957621216.db2.gz CEXUMSYLGQYQLY-UHFFFAOYSA-N 0 0 201.216 2.137 20 10 BECDRN COc1ccc(O)c([C@@H](C)NC(=O)C2CCC2)c1 ZINC000728984438 1166964994 /nfs/dbraw/zinc/96/49/94/1166964994.db2.gz PTKUMWMMGPOGOG-SECBINFHSA-N 0 0 249.310 2.378 20 10 BECDRN CN(C)c1ccc(OC2CCOCC2)cc1 ZINC001227940881 975803837 /nfs/dbraw/zinc/80/38/37/975803837.db2.gz PGTNIXLMKRMJQD-UHFFFAOYSA-N 0 0 221.300 2.310 20 10 BECDRN Cc1nn(C)cc1N(C)c1ccc(N)cc1 ZINC001174336541 976559158 /nfs/dbraw/zinc/55/91/58/976559158.db2.gz ZQWKPWXNGHJACA-UHFFFAOYSA-N 0 0 216.288 2.079 20 10 BECDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CCOC1 ZINC000381398758 1167563908 /nfs/dbraw/zinc/56/39/08/1167563908.db2.gz AUYSCZSNHVPVAB-VIFPVBQESA-N 0 0 245.681 2.063 20 10 BECDRN Cc1cc(F)cc(CN2CC(C)(F)C2)c1O ZINC001238065484 980138591 /nfs/dbraw/zinc/13/85/91/980138591.db2.gz VKRVWAYTBYEGTO-UHFFFAOYSA-N 0 0 227.254 2.384 20 10 BECDRN CNc1ccccc1NCc1ncccc1O ZINC001169731913 1168500737 /nfs/dbraw/zinc/50/07/37/1168500737.db2.gz JERGQLVQOBHHBD-UHFFFAOYSA-N 0 0 229.283 2.441 20 10 BECDRN Cc1cnc(C)c(NCc2ccc(O)c(O)c2)n1 ZINC001169992246 1168504318 /nfs/dbraw/zinc/50/43/18/1168504318.db2.gz AGULLGVZNZPQAF-UHFFFAOYSA-N 0 0 245.282 2.117 20 10 BECDRN c1cc(N2CCOCC2)ccc1C1=CCCOC1 ZINC001245159414 971712549 /nfs/dbraw/zinc/71/25/49/971712549.db2.gz VKPJWCRLKCFSBR-UHFFFAOYSA-N 0 0 245.322 2.327 20 10 BECDRN CC(C)[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C(=O)[O-] ZINC000386531656 951300058 /nfs/dbraw/zinc/30/00/58/951300058.db2.gz PEQJOGHMMXLHPB-MFKMUULPSA-N 0 0 249.310 2.078 20 10 BECDRN CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C(=O)[O-] ZINC001593606873 953434674 /nfs/dbraw/zinc/43/46/74/953434674.db2.gz BZWFWINEXITSCK-OIBJUYFYSA-N 0 0 241.262 2.045 20 10 BECDRN CC[C@@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001136793060 972260265 /nfs/dbraw/zinc/26/02/65/972260265.db2.gz TXLCNMPKERKWJP-LLVKDONJSA-N 0 0 249.310 2.041 20 10 BECDRN Cc1cccc(C[N@@H+]([C@@H](C)C(=O)[O-])C2CC2)c1O ZINC001594403902 958879342 /nfs/dbraw/zinc/87/93/42/958879342.db2.gz FOQKSSFSWWBBJU-JTQLQIEISA-N 0 0 249.310 2.138 20 10 BECDRN Cc1c(O)ccc(CN(C)CC(F)F)c1O ZINC001140750997 960549451 /nfs/dbraw/zinc/54/94/51/960549451.db2.gz GEUZSXMIMOYHLI-UHFFFAOYSA-N 0 0 231.242 2.103 20 10 BECDRN CN(CC1CCC1)C(=O)Cc1ccc(N)cc1 ZINC000061453439 960589755 /nfs/dbraw/zinc/58/97/55/960589755.db2.gz ZNCXEFLIFULNOX-UHFFFAOYSA-N 0 0 232.327 2.070 20 10 BECDRN Cc1ccc(CN2CCC(=O)C[C@@H]2C)c(O)c1 ZINC001140947755 960740773 /nfs/dbraw/zinc/74/07/73/960740773.db2.gz DOYKBZKXWGMPHG-NSHDSACASA-N 0 0 233.311 2.254 20 10 BECDRN Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@](C)(O)C2)c(O)c1 ZINC001140947707 960745493 /nfs/dbraw/zinc/74/54/93/960745493.db2.gz BSOUBBRVDJNFJP-DOMZBBRYSA-N 0 0 249.354 2.293 20 10 BECDRN Cc1ccc(C[N@H+]2CC[C@@H](C)[C@](C)(O)C2)c(O)c1 ZINC001140947708 960747751 /nfs/dbraw/zinc/74/77/51/960747751.db2.gz BSOUBBRVDJNFJP-IUODEOHRSA-N 0 0 249.354 2.293 20 10 BECDRN C[C@@H]1CC[N@@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139685725 961245167 /nfs/dbraw/zinc/24/51/67/961245167.db2.gz VCCXHBNVPDQQST-SSDOTTSWSA-N 0 0 213.227 2.265 20 10 BECDRN CC(C)/C=C/C(=O)NCc1ccccc1O ZINC001142661984 961566662 /nfs/dbraw/zinc/56/66/62/961566662.db2.gz PKXZREVGKRWOHW-BQYQJAHWSA-N 0 0 219.284 2.221 20 10 BECDRN C[C@@H](NC(=O)Cc1ccco1)c1ccccc1O ZINC001151886019 962353687 /nfs/dbraw/zinc/35/36/87/962353687.db2.gz RHRNUEFHXIXUNV-SNVBAGLBSA-N 0 0 245.278 2.405 20 10 BECDRN CC[C@@H](C)CC(=O)NCc1c(O)cccc1O ZINC001156885296 963479054 /nfs/dbraw/zinc/47/90/54/963479054.db2.gz CHNNHZYOWGPUJJ-SECBINFHSA-N 0 0 237.299 2.150 20 10 BECDRN Cc1cc(C)c(NCc2ccc(O)c(O)c2)nn1 ZINC001158995349 963970213 /nfs/dbraw/zinc/97/02/13/963970213.db2.gz DSYZROJBZOSVBT-UHFFFAOYSA-N 0 0 245.282 2.117 20 10 BECDRN Cc1cnc(NCc2cccc(C)c2O)cn1 ZINC001160765213 964409623 /nfs/dbraw/zinc/40/96/23/964409623.db2.gz XBPISOPLQVULCS-UHFFFAOYSA-N 0 0 229.283 2.411 20 10 BECDRN Cc1cccc(CNc2ccc(F)nn2)c1O ZINC001160768928 964410114 /nfs/dbraw/zinc/41/01/14/964410114.db2.gz FENFPKRNOZLHNY-UHFFFAOYSA-N 0 0 233.246 2.242 20 10 BECDRN CNc1ccccc1NCCCn1ccnc1 ZINC001161689286 964686229 /nfs/dbraw/zinc/68/62/29/964686229.db2.gz MXDDGIDVOCOSBH-UHFFFAOYSA-N 0 0 230.315 2.427 20 10 BECDRN Cc1cnc(NCc2ccccc2O)nc1 ZINC000160424485 964813686 /nfs/dbraw/zinc/81/36/86/964813686.db2.gz XJJDQGYPLPTMFY-UHFFFAOYSA-N 0 0 215.256 2.103 20 10 BECDRN COCc1ccnc(NCc2ccc(N)cc2)c1 ZINC001162783973 965168694 /nfs/dbraw/zinc/16/86/94/965168694.db2.gz DIGDBRXRDFNXIP-UHFFFAOYSA-N 0 0 243.310 2.422 20 10 BECDRN Nc1ccc(CNc2cc3c(nn2)CCC3)cc1 ZINC001162787661 965168807 /nfs/dbraw/zinc/16/88/07/965168807.db2.gz PHKQLLQUYBALAL-UHFFFAOYSA-N 0 0 240.310 2.160 20 10 BECDRN CCOc1ccc(NCc2ccc(N)cc2)nn1 ZINC001162784188 965172149 /nfs/dbraw/zinc/17/21/49/965172149.db2.gz GRUXUJSYQBAXGH-UHFFFAOYSA-N 0 0 244.298 2.070 20 10 BECDRN CNc1ccccc1N[C@@H](C)C(=O)OC(C)C ZINC001163407341 965397523 /nfs/dbraw/zinc/39/75/23/965397523.db2.gz BPHCYLAEOMOBNY-JTQLQIEISA-N 0 0 236.315 2.480 20 10 BECDRN C[C@H]([NH2+][C@@H]1COC[C@H]1C)c1ccc(F)cc1[O-] ZINC000699802978 966093524 /nfs/dbraw/zinc/09/35/24/966093524.db2.gz DEAMBFGWPBLOEM-VDDIYKPWSA-N 0 0 239.290 2.217 20 10 BECDRN C/C=C\C(=O)NCc1cc(Cl)ccc1O ZINC001165508878 966107185 /nfs/dbraw/zinc/10/71/85/966107185.db2.gz XRJIYYIPROKRDP-IHWYPQMZSA-N 0 0 225.675 2.238 20 10 BECDRN CC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC001203556127 966691477 /nfs/dbraw/zinc/69/14/77/966691477.db2.gz KMGHLAGWEFMANN-GFCCVEGCSA-N 0 0 233.311 2.193 20 10 BECDRN COc1cccc(CN(C)Cc2ccno2)c1O ZINC001203599988 966702927 /nfs/dbraw/zinc/70/29/27/966702927.db2.gz QTLCBXWVFOIQFJ-UHFFFAOYSA-N 0 0 248.282 2.021 20 10 BECDRN O=C1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC001203650957 966720724 /nfs/dbraw/zinc/72/07/24/966720724.db2.gz HBVTVYQFLVJXBW-UHFFFAOYSA-N 0 0 239.702 2.211 20 10 BECDRN Nc1ccc(Nc2cnc(N)c(F)c2)cc1 ZINC001249766548 967050979 /nfs/dbraw/zinc/05/09/79/967050979.db2.gz UQMWOKIFGHNHSF-UHFFFAOYSA-N 0 0 218.235 2.129 20 10 BECDRN CN(c1ccc(N)cc1)c1cnc2ccnn2c1 ZINC001204820221 967181617 /nfs/dbraw/zinc/18/16/17/967181617.db2.gz DEIUYSPGMNQWPP-UHFFFAOYSA-N 0 0 239.282 2.079 20 10 BECDRN CCOCCc1ccc(N2CCOCC2)cc1C ZINC001249943748 967185186 /nfs/dbraw/zinc/18/51/86/967185186.db2.gz PZXOYSRSRRNYGW-UHFFFAOYSA-N 0 0 249.354 2.411 20 10 BECDRN COc1ccc2c(c1)CCN2C[C@H](C)OC ZINC001204930840 967240826 /nfs/dbraw/zinc/24/08/26/967240826.db2.gz PCXQBKKEDHDENF-JTQLQIEISA-N 0 0 221.300 2.093 20 10 BECDRN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCC(=O)[O-] ZINC000036891937 967506642 /nfs/dbraw/zinc/50/66/42/967506642.db2.gz MVBQRDCZSFHZMB-ZJUUUORDSA-N 0 0 249.310 2.313 20 10 BECDRN C[C@H]([NH2+]CCCC(=O)[O-])c1cc(F)ccc1O ZINC000094617589 967600672 /nfs/dbraw/zinc/60/06/72/967600672.db2.gz NCPHZICKRBMGSV-QMMMGPOBSA-N 0 0 241.262 2.047 20 10 BECDRN Cc1nnc(Cc2cccc3c2ccn3C)o1 ZINC001250337906 967726647 /nfs/dbraw/zinc/72/66/47/967726647.db2.gz AHQNDURKKJQREG-UHFFFAOYSA-N 0 0 227.267 2.461 20 10 BECDRN CC[N@H+](Cc1cn(C)cn1)Cc1ccccc1O ZINC001206242248 968165572 /nfs/dbraw/zinc/16/55/72/968165572.db2.gz JFXQARVHYMQPRS-UHFFFAOYSA-N 0 0 245.326 2.148 20 10 BECDRN Oc1cccc(NC[C@H](O)c2ccccc2)c1O ZINC001251995967 968426670 /nfs/dbraw/zinc/42/66/70/968426670.db2.gz NSITZFURSLNOQN-ZDUSSCGKSA-N 0 0 245.278 2.243 20 10 BECDRN Cn1ccc2c1ccnc2-c1cnn2cccnc12 ZINC001240917842 968804487 /nfs/dbraw/zinc/80/44/87/968804487.db2.gz DCAZXMLVZQNIPN-UHFFFAOYSA-N 0 0 249.277 2.283 20 10 BECDRN CSc1cncc(-c2ccn(C)c(=O)c2)c1 ZINC001240986541 968841855 /nfs/dbraw/zinc/84/18/55/968841855.db2.gz SRYRNGYAWMHSLI-UHFFFAOYSA-N 0 0 232.308 2.169 20 10 BECDRN Cc1ccoc1C=C1SC(=S)NC1=O ZINC000742345941 968950197 /nfs/dbraw/zinc/95/01/97/968950197.db2.gz FKSBSYYXCBLTLD-DAXSKMNVSA-N 0 0 225.294 2.077 20 10 BECDRN c1cc(N2CCOCC2)ccc1C1=CCOCC1 ZINC001242076456 969200567 /nfs/dbraw/zinc/20/05/67/969200567.db2.gz QVMWROMUFIWSKP-UHFFFAOYSA-N 0 0 245.322 2.327 20 10 BECDRN CCCc1nnc(CCc2ccc(O)c(O)c2)o1 ZINC001253977479 969434941 /nfs/dbraw/zinc/43/49/41/969434941.db2.gz UPUYXLBHZKBQHW-UHFFFAOYSA-N 0 0 248.282 2.219 20 10 BECDRN Oc1c(F)cccc1Nc1c(F)cncc1F ZINC001210195855 969828139 /nfs/dbraw/zinc/82/81/39/969828139.db2.gz LUTCIAOWRMEZGU-UHFFFAOYSA-N 0 0 240.184 2.370 20 10 BECDRN C=Cc1cnc(NCc2ccc(O)c(O)c2)nc1 ZINC001169990796 969953606 /nfs/dbraw/zinc/95/36/06/969953606.db2.gz OXVQEOSXBGCZBD-UHFFFAOYSA-N 0 0 243.266 2.143 20 10 BECDRN Oc1cccc(-c2nnc(C3CCC3)o2)c1O ZINC001255161420 969970670 /nfs/dbraw/zinc/97/06/70/969970670.db2.gz LZVLJYPXZJQKFU-UHFFFAOYSA-N 0 0 232.239 2.415 20 10 BECDRN O=c1[nH]cc(Nc2cccc(O)c2O)cc1F ZINC001210600892 969972568 /nfs/dbraw/zinc/97/25/68/969972568.db2.gz HYQRYTDNRQZVDV-UHFFFAOYSA-N 0 0 236.202 2.081 20 10 BECDRN C[C@@H]([NH2+][C@@H](C)CC(=O)[O-])c1cc(F)ccc1O ZINC001609888490 970587543 /nfs/dbraw/zinc/58/75/43/970587543.db2.gz MWGXGEVHMJMNGI-JGVFFNPUSA-N 0 0 241.262 2.045 20 10 BECDRN C[C@H]([NH2+]CCc1cn[nH]c1)c1c([O-])cccc1F ZINC001331229225 974651482 /nfs/dbraw/zinc/65/14/82/974651482.db2.gz IZSBCRGVKLMICH-VIFPVBQESA-N 0 0 249.289 2.148 20 10 BECDRN C=CC(=O)OC[C@@H](C)Oc1ccc(N(C)C)cc1 ZINC001227939247 975802397 /nfs/dbraw/zinc/80/23/97/975802397.db2.gz PXSWZEBWDABGAS-LLVKDONJSA-N 0 0 249.310 2.249 20 10 BECDRN CN(c1ccc(N)cc1)c1ccc2ncnn2c1 ZINC001174375919 976613161 /nfs/dbraw/zinc/61/31/61/976613161.db2.gz SFFORUJNPNFWDJ-UHFFFAOYSA-N 0 0 239.282 2.079 20 10 BECDRN C[C@@H](NC(=O)NCc1ccc(N)cc1)C1(C)CC1 ZINC001335728256 977247793 /nfs/dbraw/zinc/24/77/93/977247793.db2.gz SFVAXZADNBBBMJ-SNVBAGLBSA-N 0 0 247.342 2.257 20 10 BECDRN Cc1cccc(Nc2ccncc2F)c1O ZINC001175199619 977306340 /nfs/dbraw/zinc/30/63/40/977306340.db2.gz YKSXFNCBHPMZGY-UHFFFAOYSA-N 0 0 218.231 2.400 20 10 BECDRN CC1CC([NH2+]Cc2c([O-])cccc2F)C1 ZINC001355346834 1170017412 /nfs/dbraw/zinc/01/74/12/1170017412.db2.gz AIANGRWKVVRBME-UHFFFAOYSA-N 0 0 209.264 2.419 20 10 BECDRN CCOc1ncc(Nc2cccc(O)c2O)cn1 ZINC001175560119 977544644 /nfs/dbraw/zinc/54/46/44/977544644.db2.gz SITULJIVGOJEHD-UHFFFAOYSA-N 0 0 247.254 2.030 20 10 BECDRN C[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231448979 977591681 /nfs/dbraw/zinc/59/16/81/977591681.db2.gz TZRGKOXTRGHIKY-JTQLQIEISA-N 0 0 249.310 2.465 20 10 BECDRN Nc1ccc(CNCc2cc(C3CC3)no2)cc1 ZINC001336285216 977614430 /nfs/dbraw/zinc/61/44/30/977614430.db2.gz JFOYNURUTROFIQ-UHFFFAOYSA-N 0 0 243.310 2.424 20 10 BECDRN CC[N@H+](Cc1cc(C(=O)[O-])ccc1O)C(C)C ZINC001231559850 977630179 /nfs/dbraw/zinc/63/01/79/977630179.db2.gz JHRRODDMFVEFNU-UHFFFAOYSA-N 0 0 237.299 2.321 20 10 BECDRN CC1(C)CC[N@H+](Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001231564612 977637052 /nfs/dbraw/zinc/63/70/52/977637052.db2.gz UNFWNSSGBZNVPT-UHFFFAOYSA-N 0 0 249.310 2.322 20 10 BECDRN Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)C(=O)[O-])c1 ZINC001594373263 977638330 /nfs/dbraw/zinc/63/83/30/977638330.db2.gz LPAMZSQCNJFFAT-NXEZZACHSA-N 0 0 237.299 2.072 20 10 BECDRN CC[C@@H](F)C(=O)NCc1ccc(N(C)C)cc1 ZINC001336422661 977677554 /nfs/dbraw/zinc/67/75/54/977677554.db2.gz BVHMDJCRLNBJNQ-GFCCVEGCSA-N 0 0 238.306 2.117 20 10 BECDRN Cc1cc(O)c(CN2CCC(=O)C2)cc1Cl ZINC001231870861 977756161 /nfs/dbraw/zinc/75/61/61/977756161.db2.gz VKZRATLGWVHXDO-UHFFFAOYSA-N 0 0 239.702 2.129 20 10 BECDRN Cc1cc(C)c(CN2CCC(=O)CC2)c(O)c1 ZINC001231842554 977764592 /nfs/dbraw/zinc/76/45/92/977764592.db2.gz ODOYCRCDMHTSLT-UHFFFAOYSA-N 0 0 233.311 2.174 20 10 BECDRN C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(N)cc1 ZINC001336799066 977970804 /nfs/dbraw/zinc/97/08/04/977970804.db2.gz 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0 0 215.243 2.398 20 10 BECDRN CN(CC[C@H]1CCOC1)c1ccc2c(c1)OCO2 ZINC000783664355 644757331 /nfs/dbraw/zinc/75/73/31/644757331.db2.gz JIKURSWBTHNLCO-NSHDSACASA-N 0 0 249.310 2.278 20 10 BECDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)C(C)C ZINC000808094679 644872538 /nfs/dbraw/zinc/87/25/38/644872538.db2.gz XNKUVBWULAEUIH-UHFFFAOYSA-N 0 0 242.315 2.150 20 10 BECDRN C[C@@]1(C(=O)NCc2ccccc2O)CC1(F)F ZINC000817548789 644987839 /nfs/dbraw/zinc/98/78/39/644987839.db2.gz DILUFHKHMGHHOE-NSHDSACASA-N 0 0 241.237 2.054 20 10 BECDRN Cc1noc(CN(C)Cc2cccc(C)c2O)n1 ZINC000848927664 645443585 /nfs/dbraw/zinc/44/35/85/645443585.db2.gz JYVYUFKBQUDNCU-UHFFFAOYSA-N 0 0 247.298 2.024 20 10 BECDRN COc1ccc(N(C)Cc2c[nH]cn2)cc1 ZINC000724772761 711611271 /nfs/dbraw/zinc/61/12/71/711611271.db2.gz FJXMPQNESVRLQD-UHFFFAOYSA-N 0 0 217.272 2.055 20 10 BECDRN CCOC[C@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703213870 712068355 /nfs/dbraw/zinc/06/83/55/712068355.db2.gz KHMAKWPMFUGIPO-QMMMGPOBSA-N 0 0 245.269 2.185 20 10 BECDRN [O-]c1c(C[NH2+][C@H]2CCSC2)ccc(F)c1F ZINC000703295980 712071024 /nfs/dbraw/zinc/07/10/24/712071024.db2.gz OOMMHNPJVNNGND-QMMMGPOBSA-N 0 0 245.294 2.266 20 10 BECDRN CO[C@H]1C[C@@H](C[NH2+]Cc2cccc(F)c2[O-])C1 ZINC000708711476 712197777 /nfs/dbraw/zinc/19/77/77/712197777.db2.gz XRZGEVVTGGEWTR-JGZJWPJOSA-N 0 0 239.290 2.046 20 10 BECDRN COC(=O)[C@@H](C)Sc1ncc(Cl)s1 ZINC000379388839 712380837 /nfs/dbraw/zinc/38/08/37/712380837.db2.gz KGYQVXVZXYTVPL-SCSAIBSYSA-N 0 0 237.733 2.450 20 10 BECDRN CCC1(NC(=O)Nc2ccc(N)cc2)CC1 ZINC000379657026 712391665 /nfs/dbraw/zinc/39/16/65/712391665.db2.gz RJTVGSZGBJXPMI-UHFFFAOYSA-N 0 0 219.288 2.333 20 10 BECDRN Nc1ccc(NC(=O)/C=C\C2CC2)cc1 ZINC000381455884 710638616 /nfs/dbraw/zinc/63/86/16/710638616.db2.gz IIZOCAHPJWRXFJ-BAQGIRSFSA-N 0 0 202.257 2.174 20 10 BECDRN CC[C@H]([NH2+]CCO)c1cccc(Cl)c1[O-] ZINC000389905852 711097367 /nfs/dbraw/zinc/09/73/67/711097367.db2.gz GQHIEMUSMRXJQT-JTQLQIEISA-N 0 0 229.707 2.079 20 10 BECDRN COc1cccc(CN[C@H](C)C(F)F)c1O 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226.330 2.116 20 10 BECDRN O=C(NCc1ccccc1O)N[C@@H]1CC=CCC1 ZINC000077576252 344822736 /nfs/dbraw/zinc/82/27/36/344822736.db2.gz VNYNACPWPHBNKT-GFCCVEGCSA-N 0 0 246.310 2.300 20 10 BECDRN CC(C)CC(=O)N(C)Cc1ccccc1O ZINC000077895944 344830905 /nfs/dbraw/zinc/83/09/05/344830905.db2.gz BWYPXYNOKXOVKO-UHFFFAOYSA-N 0 0 221.300 2.397 20 10 BECDRN Cc1cc(N(C)Cc2ccccc2O)nc(C)n1 ZINC000133701169 187298758 /nfs/dbraw/zinc/29/87/58/187298758.db2.gz VDURIFKXKADKEN-UHFFFAOYSA-N 0 0 243.310 2.435 20 10 BECDRN COc1ccc(CNCC(F)F)cc1C ZINC000147286494 187299552 /nfs/dbraw/zinc/29/95/52/187299552.db2.gz IOCMBOQPTAQVAC-UHFFFAOYSA-N 0 0 215.243 2.358 20 10 BECDRN CC(C)(C)c1cnc(SCCC(N)=O)s1 ZINC000164031204 187302613 /nfs/dbraw/zinc/30/26/13/187302613.db2.gz JROIKEUXSUDKEW-UHFFFAOYSA-N 0 0 244.385 2.408 20 10 BECDRN Cc1ccnc(N(C)Cc2ccccc2O)n1 ZINC000089635452 345557704 /nfs/dbraw/zinc/55/77/04/345557704.db2.gz QNFBKZANJKPGJO-UHFFFAOYSA-N 0 0 229.283 2.127 20 10 BECDRN Cc1cccc(CN(C)Cc2ccon2)c1O ZINC000271759114 179068188 /nfs/dbraw/zinc/06/81/88/179068188.db2.gz DJIWLMOYXUVVRU-UHFFFAOYSA-N 0 0 232.283 2.321 20 10 BECDRN C/C=C(\CC)C(=O)NCc1c(O)cccc1O ZINC001639292848 1172093228 /nfs/dbraw/zinc/09/32/28/1172093228.db2.gz STMDCRPTVIIVQV-YCRREMRBSA-N 0 0 235.283 2.070 20 10 BECDRN CCN(CCOC)c1ccc(OC)cc1 ZINC000220806912 350187424 /nfs/dbraw/zinc/18/74/24/350187424.db2.gz UNXNDMRDXJPAHL-UHFFFAOYSA-N 0 0 209.289 2.168 20 10 BECDRN Cc1nccn1Cc1ccc(N(C)C)cc1 ZINC000278819319 180269147 /nfs/dbraw/zinc/26/91/47/180269147.db2.gz IIZCIEBRRVEJTD-UHFFFAOYSA-N 0 0 215.300 2.306 20 10 BECDRN Cc1ccc(O)c(CNc2cnn(C)c2)c1 ZINC000070955181 187959736 /nfs/dbraw/zinc/95/97/36/187959736.db2.gz VFXMVIBDAAPXJZ-UHFFFAOYSA-N 0 0 217.272 2.046 20 10 BECDRN Cc1cccc(C[NH2+][C@H]2CC[C@H](O)CC2)c1O ZINC000252761267 188369798 /nfs/dbraw/zinc/36/97/98/188369798.db2.gz XOIMHRWSCLRDJA-JOCQHMNTSA-N 0 0 235.327 2.094 20 10 BECDRN CC(C)=CCCNC(=O)c1cccc(O)c1O ZINC000276633058 188380168 /nfs/dbraw/zinc/38/01/68/188380168.db2.gz ORNUERXMJZNEBB-UHFFFAOYSA-N 0 0 235.283 2.184 20 10 BECDRN CN(Cc1ccccc1O)C(=O)NC1CCCC1 ZINC000042822630 368338817 /nfs/dbraw/zinc/33/88/17/368338817.db2.gz KEQPZBIYJMMHHG-UHFFFAOYSA-N 0 0 248.326 2.476 20 10 BECDRN C[C@@H]1C[C@@H]1CNC(=O)N(C)Cc1ccccc1O ZINC000047098088 368458430 /nfs/dbraw/zinc/45/84/30/368458430.db2.gz ICUBUHSPFJKNBU-ZYHUDNBSSA-N 0 0 248.326 2.190 20 10 BECDRN CC(C)CNC(=O)[C@@H](C)Sc1nccs1 ZINC000064661235 368611399 /nfs/dbraw/zinc/61/13/99/368611399.db2.gz QOWQZSRYQAOEIR-MRVPVSSYSA-N 0 0 244.385 2.396 20 10 BECDRN Nc1ccc(CNC(=O)C[C@@H]2C=CCC2)cc1 ZINC000159388982 181705585 /nfs/dbraw/zinc/70/55/85/181705585.db2.gz MJARZHPVYVRCEU-LLVKDONJSA-N 0 0 230.311 2.241 20 10 BECDRN Nc1ccc(CNC(=O)C2CCCC2)cc1 ZINC000037666208 181706616 /nfs/dbraw/zinc/70/66/16/181706616.db2.gz PYNLGXFRBPSYHZ-UHFFFAOYSA-N 0 0 218.300 2.075 20 10 BECDRN O=C(C=C1CCC1)NCc1ccccc1O ZINC000269110953 181876496 /nfs/dbraw/zinc/87/64/96/181876496.db2.gz CCFVRBFNBIZYAP-UHFFFAOYSA-N 0 0 217.268 2.119 20 10 BECDRN O=C(NCc1ccccc1O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000253201029 182257993 /nfs/dbraw/zinc/25/79/93/182257993.db2.gz XQKGMFZSYSEOAI-PJXYFTJBSA-N 0 0 231.295 2.055 20 10 BECDRN CCCCOC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000095936062 168883508 /nfs/dbraw/zinc/88/35/08/168883508.db2.gz DBBCBZIFZYILRL-ALCCZGGFSA-N 0 0 236.267 2.454 20 10 BECDRN CC(C)(C(=O)NCc1cc(O)ccc1O)C1CC1 ZINC001643881963 1172505671 /nfs/dbraw/zinc/50/56/71/1172505671.db2.gz MBMHUHBDYJOIKA-UHFFFAOYSA-N 0 0 249.310 2.150 20 10 BECDRN [O-]c1c(F)cccc1C[NH2+][C@@H]1CCSC1 ZINC000226613134 183255079 /nfs/dbraw/zinc/25/50/79/183255079.db2.gz GBIYKGUXWVOTOF-SECBINFHSA-N 0 0 227.304 2.126 20 10 BECDRN CCCN(CCC)C(=O)Cc1ccc(N)cc1 ZINC000020185753 169141146 /nfs/dbraw/zinc/14/11/46/169141146.db2.gz YOSPBDCKFXDILC-UHFFFAOYSA-N 0 0 234.343 2.460 20 10 BECDRN CCCN(Cc1ccccc1O)C(=O)C(F)F ZINC000279968245 169176795 /nfs/dbraw/zinc/17/67/95/169176795.db2.gz UBMAAWJDUYYQFF-UHFFFAOYSA-N 0 0 243.253 2.396 20 10 BECDRN Oc1cccc(NCc2ccc(O)c(O)c2)c1 ZINC000020193240 183292767 /nfs/dbraw/zinc/29/27/67/183292767.db2.gz MXBFLZKCKRPENO-UHFFFAOYSA-N 0 0 231.251 2.416 20 10 BECDRN CCC[NH+]1CCN(Cc2cccc(C)c2O)CC1 ZINC000124501376 169203587 /nfs/dbraw/zinc/20/35/87/169203587.db2.gz ZSTHQFCGEPLUDO-UHFFFAOYSA-N 0 0 248.370 2.228 20 10 BECDRN CC(C)C(=O)N(C)Cc1ccccc1O ZINC000070262926 383901050 /nfs/dbraw/zinc/90/10/50/383901050.db2.gz RUCVAJJNCLRXOD-UHFFFAOYSA-N 0 0 207.273 2.007 20 10 BECDRN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCOC2)c(O)c1 ZINC000037738309 384004138 /nfs/dbraw/zinc/00/41/38/384004138.db2.gz XXDJJSLLWFPMSY-NWDGAFQWSA-N 0 0 235.327 2.388 20 10 BECDRN CC[C@H](CCO)C[NH2+]Cc1cccc(F)c1[O-] ZINC000158811685 384303127 /nfs/dbraw/zinc/30/31/27/384303127.db2.gz AWBHWSIJLPCVDF-SNVBAGLBSA-N 0 0 241.306 2.030 20 10 BECDRN C[C@H](CCO)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000097439699 384519453 /nfs/dbraw/zinc/51/94/53/384519453.db2.gz ANJCELGHYRNSGT-ZJUUUORDSA-N 0 0 241.306 2.200 20 10 BECDRN C[C@@H]([NH2+]C[C@@H](C)CCO)c1ccc(F)cc1[O-] ZINC000097439700 384520712 /nfs/dbraw/zinc/52/07/12/384520712.db2.gz ANJCELGHYRNSGT-VHSXEESVSA-N 0 0 241.306 2.200 20 10 BECDRN COC1(C[NH2+]Cc2ccccc2O)CCCC1 ZINC000276981749 384636763 /nfs/dbraw/zinc/63/67/63/384636763.db2.gz SPBRGFKSDILLHX-UHFFFAOYSA-N 0 0 235.327 2.441 20 10 BECDRN C[C@@H](CCO)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162868551 384699259 /nfs/dbraw/zinc/69/92/59/384699259.db2.gz FGXOEVPFGMCBIR-VIFPVBQESA-N 0 0 243.734 2.154 20 10 BECDRN C[C@H](CCO)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162868671 384699671 /nfs/dbraw/zinc/69/96/71/384699671.db2.gz FGXOEVPFGMCBIR-SECBINFHSA-N 0 0 243.734 2.154 20 10 BECDRN CC[C@@H](C)CC(=O)NCc1ccc(N)cc1 ZINC000164194453 384939184 /nfs/dbraw/zinc/93/91/84/384939184.db2.gz CJJOTRQHMMUPIB-SNVBAGLBSA-N 0 0 220.316 2.321 20 10 BECDRN COC[C@H](C)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062748390 385186852 /nfs/dbraw/zinc/18/68/52/385186852.db2.gz MTGLSTATKQTIDV-NXEZZACHSA-N 0 0 241.306 2.464 20 10 BECDRN C[C@@H]([NH2+]Cc1cnn(C)c1)c1ccc(F)cc1[O-] ZINC000062748118 385187138 /nfs/dbraw/zinc/18/71/38/385187138.db2.gz QGDGKDODDILLFV-SECBINFHSA-N 0 0 249.289 2.116 20 10 BECDRN CN(C)c1ccc(CNC(=O)[C@H]2CC2(C)C)cc1 ZINC000151957282 385144527 /nfs/dbraw/zinc/14/45/27/385144527.db2.gz OEEQZJSIPPMRKT-CYBMUJFWSA-N 0 0 246.354 2.415 20 10 BECDRN COC(=O)CN(C)c1ccc(OC(C)C)cc1 ZINC000191589504 385307754 /nfs/dbraw/zinc/30/77/54/385307754.db2.gz MIRQNRLGWKBADR-UHFFFAOYSA-N 0 0 237.299 2.083 20 10 BECDRN CCOCC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191207383 385293480 /nfs/dbraw/zinc/29/34/80/385293480.db2.gz XLFORHXRCCZXMO-QMMMGPOBSA-N 0 0 245.269 2.358 20 10 BECDRN C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000178395767 385365725 /nfs/dbraw/zinc/36/57/25/385365725.db2.gz QKAHFEGBYQWQQT-LLVKDONJSA-N 0 0 246.354 2.415 20 10 BECDRN C[C@H]([NH2+]CCF)c1ccc(F)cc1[O-] ZINC000281127219 385402607 /nfs/dbraw/zinc/40/26/07/385402607.db2.gz SRAFZEIUTXIRLL-ZETCQYMHSA-N 0 0 201.216 2.151 20 10 BECDRN C[C@@H]([NH2+]CCF)c1ccc(F)cc1[O-] ZINC000281127210 385403279 /nfs/dbraw/zinc/40/32/79/385403279.db2.gz SRAFZEIUTXIRLL-SSDOTTSWSA-N 0 0 201.216 2.151 20 10 BECDRN Cc1nnc(NCc2cc(C)c(C)cc2O)o1 ZINC000181501123 385582059 /nfs/dbraw/zinc/58/20/59/385582059.db2.gz GMLPYVFNYFUVJI-UHFFFAOYSA-N 0 0 233.271 2.313 20 10 BECDRN CC[C@H](SC)C(=O)NCc1ccccc1O ZINC000269742205 385632077 /nfs/dbraw/zinc/63/20/77/385632077.db2.gz ZOAMYQIPJNOPNS-NSHDSACASA-N 0 0 239.340 2.150 20 10 BECDRN CN(Cc1ccccc1O)C(=O)[C@H]1CC1(F)F ZINC000294721135 385887592 /nfs/dbraw/zinc/88/75/92/385887592.db2.gz AWWWZRCTLOTUNA-SECBINFHSA-N 0 0 241.237 2.006 20 10 BECDRN C[N@@H+](Cc1cccc(F)c1[O-])CC1CC1 ZINC000272286023 385891134 /nfs/dbraw/zinc/89/11/34/385891134.db2.gz NJWNSMHLRKGPGK-UHFFFAOYSA-N 0 0 209.264 2.373 20 10 BECDRN CO[C@H](C)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294663061 385880318 /nfs/dbraw/zinc/88/03/18/385880318.db2.gz LPFUZFZNHGXBKS-SSDOTTSWSA-N 0 0 247.697 2.309 20 10 BECDRN CC[C@@H]([NH2+]CC[C@H](C)O)c1ccc(F)cc1[O-] ZINC000285530966 385936238 /nfs/dbraw/zinc/93/62/38/385936238.db2.gz BQOKFDRPWBPVBG-JOYOIKCWSA-N 0 0 241.306 2.343 20 10 BECDRN CCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000335047235 385943073 /nfs/dbraw/zinc/94/30/73/385943073.db2.gz DKBUJWJNMXIKCI-UHFFFAOYSA-N 0 0 245.326 2.306 20 10 BECDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2CC2)c1 ZINC000273405880 385997282 /nfs/dbraw/zinc/99/72/82/385997282.db2.gz OJNCODWVFISLLI-VIFPVBQESA-N 0 0 249.310 2.239 20 10 BECDRN CC[C@H]([NH2+][C@@H](C)CCO)c1ccc(F)cc1[O-] ZINC000286274921 386017018 /nfs/dbraw/zinc/01/70/18/386017018.db2.gz VMFFQTKSYCOWLK-CABZTGNLSA-N 0 0 241.306 2.343 20 10 BECDRN CC[C@@H]([NH2+]CCCCO)c1ccc(F)cc1[O-] ZINC000287586826 386135082 /nfs/dbraw/zinc/13/50/82/386135082.db2.gz RJYQKGIQMFCIST-GFCCVEGCSA-N 0 0 241.306 2.345 20 10 BECDRN CCC[C@@H]1C[C@H]1NC(=O)NCc1ccccc1O ZINC000267681782 386571073 /nfs/dbraw/zinc/57/10/73/386571073.db2.gz GRFKKUAWWQEECV-ZYHUDNBSSA-N 0 0 248.326 2.380 20 10 BECDRN C[N@H+](CCCCCO)Cc1cccc(F)c1[O-] ZINC000279164795 386643247 /nfs/dbraw/zinc/64/32/47/386643247.db2.gz BBHXDUQMMJCQSZ-UHFFFAOYSA-N 0 0 241.306 2.126 20 10 BECDRN Cc1cc(CN2CCOC[C@H]2C)ccc1N(C)C ZINC000292686620 386710369 /nfs/dbraw/zinc/71/03/69/386710369.db2.gz AGBPNTKIGRYVGO-CYBMUJFWSA-N 0 0 248.370 2.282 20 10 BECDRN CC(=O)C(=O)CSCc1cccc(C)c1 ZINC000295203954 386692377 /nfs/dbraw/zinc/69/23/77/386692377.db2.gz NVLWFXOQHKNZSU-UHFFFAOYSA-N 0 0 222.309 2.386 20 10 BECDRN CC[C@H]1CC[C@H](C(=O)Nc2ccc(N)cc2)O1 ZINC000269118734 386754621 /nfs/dbraw/zinc/75/46/21/386754621.db2.gz IZOSXDSUZXTCRX-NWDGAFQWSA-N 0 0 234.299 2.165 20 10 BECDRN Cc1nocc1CN(C)c1ccc2c(c1)OCO2 ZINC000293542361 386833796 /nfs/dbraw/zinc/83/37/96/386833796.db2.gz GBXIRVHHYGMFBB-UHFFFAOYSA-N 0 0 246.266 2.348 20 10 BECDRN C[C@H]([NH2+]Cc1cccc(F)c1[O-])C1CC1 ZINC000165149621 387428567 /nfs/dbraw/zinc/42/85/67/387428567.db2.gz REIRERKLYFXGFK-QMMMGPOBSA-N 0 0 209.264 2.419 20 10 BECDRN CN(Cc1ccccc1O)C(=O)CC(F)(F)F ZINC000298775717 387593100 /nfs/dbraw/zinc/59/31/00/387593100.db2.gz FUJGPBQPXVGMEG-UHFFFAOYSA-N 0 0 247.216 2.303 20 10 BECDRN CCN(CC[NH2+]Cc1cc(C)ccc1O)C1CC1 ZINC000113332830 387548043 /nfs/dbraw/zinc/54/80/43/387548043.db2.gz OFLMJGCLDORZQS-UHFFFAOYSA-N 0 0 248.370 2.275 20 10 BECDRN CC(C)O[C@@]1(C)C[C@H]1[NH2+]Cc1ccccc1O ZINC000527800355 387721538 /nfs/dbraw/zinc/72/15/38/387721538.db2.gz OFLUHIJNFOASAH-KGLIPLIRSA-N 0 0 235.327 2.438 20 10 BECDRN CCOCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000163728370 387911379 /nfs/dbraw/zinc/91/13/79/387911379.db2.gz MODCUSKEDKFVLC-UHFFFAOYSA-N 0 0 229.707 2.172 20 10 BECDRN COc1ccc(N(C)Cc2ncccn2)cc1 ZINC001646812674 1172748711 /nfs/dbraw/zinc/74/87/11/1172748711.db2.gz GGOZLSLYVIHQJA-UHFFFAOYSA-N 0 0 229.283 2.122 20 10 BECDRN C[C@H](C(=O)NCc1c(O)cccc1O)C1CCC1 ZINC001647290831 1172758025 /nfs/dbraw/zinc/75/80/25/1172758025.db2.gz USQCDGLWYYVFGB-VIFPVBQESA-N 0 0 249.310 2.150 20 10 BECDRN CC1(C(=O)NCCc2ccc(N)cc2)CCC1 ZINC000152533508 167870036 /nfs/dbraw/zinc/87/00/36/167870036.db2.gz MBPSEVFSDZIPDU-UHFFFAOYSA-N 0 0 232.327 2.118 20 10 BECDRN Cc1ccc(C(=O)N2CC=C(C)CC2)c(O)c1O ZINC000272704724 168108762 /nfs/dbraw/zinc/10/87/62/168108762.db2.gz BYFHQXOSFIWSSK-UHFFFAOYSA-N 0 0 247.294 2.198 20 10 BECDRN CCC(C)(C)C(=O)NCc1ccccc1O ZINC000122110960 168266893 /nfs/dbraw/zinc/26/68/93/168266893.db2.gz MNWNUOGTKWCTMB-UHFFFAOYSA-N 0 0 221.300 2.445 20 10 BECDRN CCC(C)(C)N(C)C(=O)c1cccc(O)c1O ZINC000126425595 168284721 /nfs/dbraw/zinc/28/47/21/168284721.db2.gz LMRUKOASCQAOCM-UHFFFAOYSA-N 0 0 237.299 2.358 20 10 BECDRN CC[C@@H](C)C(=O)NCc1ccccc1O ZINC000136334536 170681042 /nfs/dbraw/zinc/68/10/42/170681042.db2.gz QVFJSJZMIQOMAJ-SECBINFHSA-N 0 0 207.273 2.055 20 10 BECDRN CC[C@@H]([NH2+][C@@H](C)CCO)c1ccc(F)cc1[O-] ZINC000286274925 170907863 /nfs/dbraw/zinc/90/78/63/170907863.db2.gz VMFFQTKSYCOWLK-JOYOIKCWSA-N 0 0 241.306 2.343 20 10 BECDRN CC[C@@H]1CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000293866283 171016787 /nfs/dbraw/zinc/01/67/87/171016787.db2.gz CQWKDPHNAZOMQK-DUMNWFOQSA-N 0 0 247.294 2.122 20 10 BECDRN CC[C@H](C)CC(=O)NCc1ccc(N)cc1 ZINC000164194570 171261137 /nfs/dbraw/zinc/26/11/37/171261137.db2.gz CJJOTRQHMMUPIB-JTQLQIEISA-N 0 0 220.316 2.321 20 10 BECDRN CCc1nnc(NCc2cc(C)ccc2O)o1 ZINC000296045399 172059897 /nfs/dbraw/zinc/05/98/97/172059897.db2.gz QVAMFEXBAOAVCQ-UHFFFAOYSA-N 0 0 233.271 2.258 20 10 BECDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CCC1 ZINC000180819563 172294084 /nfs/dbraw/zinc/29/40/84/172294084.db2.gz GRVAEMNOSLSQFV-SOFGYWHQSA-N 0 0 247.294 2.122 20 10 BECDRN CN(C)c1ccc(CNC(=O)C=C2CCC2)cc1 ZINC000087004622 172553161 /nfs/dbraw/zinc/55/31/61/172553161.db2.gz OMMVOQPEYUZBJD-UHFFFAOYSA-N 0 0 244.338 2.479 20 10 BECDRN CN(C)c1ccc(CNc2ncccn2)cc1 ZINC000061173816 172554497 /nfs/dbraw/zinc/55/44/97/172554497.db2.gz GWBPJGGEZXPHRX-UHFFFAOYSA-N 0 0 228.299 2.155 20 10 BECDRN CN(Cc1ccno1)c1ccc2c(c1)OCO2 ZINC000270116276 172901963 /nfs/dbraw/zinc/90/19/63/172901963.db2.gz DZDTYLWURUETDP-UHFFFAOYSA-N 0 0 232.239 2.040 20 10 BECDRN COC(=O)c1cnc(SCCCF)s1 ZINC000294929049 173907212 /nfs/dbraw/zinc/90/72/12/173907212.db2.gz CVKOBLFBOAYJMV-UHFFFAOYSA-N 0 0 235.305 2.381 20 10 BECDRN COCCCSc1ncc(C(=O)OC)s1 ZINC000295275327 174259929 /nfs/dbraw/zinc/25/99/29/174259929.db2.gz JZYVQDQGOINCDN-UHFFFAOYSA-N 0 0 247.341 2.058 20 10 BECDRN COc1ccc(N(C)C[C@H](C)OC)c(OC)c1 ZINC000182360222 175135914 /nfs/dbraw/zinc/13/59/14/175135914.db2.gz RZUWTCREXZORMN-JTQLQIEISA-N 0 0 239.315 2.175 20 10 BECDRN COc1ccc(N(C)Cc2cnn(C)c2)cc1F ZINC000121737510 175136139 /nfs/dbraw/zinc/13/61/39/175136139.db2.gz HHPUPBQSVASMHX-UHFFFAOYSA-N 0 0 249.289 2.204 20 10 BECDRN COc1ccc(N(CCO)C(C)C)cc1F ZINC000177700831 175136949 /nfs/dbraw/zinc/13/69/49/175136949.db2.gz IPCKKTYAOROVSM-UHFFFAOYSA-N 0 0 227.279 2.041 20 10 BECDRN COc1ccc2c(c1)CCCCN2C[C@@H](C)O ZINC000374075995 175208065 /nfs/dbraw/zinc/20/80/65/175208065.db2.gz YTHGNZOIMSDNQM-LLVKDONJSA-N 0 0 235.327 2.219 20 10 BECDRN COc1cccc(CNC(=O)C2CCCC2)c1O ZINC000068488654 175261028 /nfs/dbraw/zinc/26/10/28/175261028.db2.gz DQWZWBNWHDSOCD-UHFFFAOYSA-N 0 0 249.310 2.207 20 10 BECDRN COc1cccc(CNC(=O)[C@H]2CC2(C)C)c1O ZINC000134181572 175262715 /nfs/dbraw/zinc/26/27/15/175262715.db2.gz JDXOVKKTGYQVQZ-SNVBAGLBSA-N 0 0 249.310 2.063 20 10 BECDRN COc1cccc(CN[C@@H](C)C(F)(F)F)c1O ZINC000288396146 175265259 /nfs/dbraw/zinc/26/52/59/175265259.db2.gz HNAOHVAKPGUTTK-ZETCQYMHSA-N 0 0 249.232 2.441 20 10 BECDRN COc1cccc(CN[C@H](C)C(F)(F)F)c1O ZINC000288396145 175266590 /nfs/dbraw/zinc/26/65/90/175266590.db2.gz HNAOHVAKPGUTTK-SSDOTTSWSA-N 0 0 249.232 2.441 20 10 BECDRN COc1cccc(CNc2nccc(C)n2)c1O ZINC000083373670 175268874 /nfs/dbraw/zinc/26/88/74/175268874.db2.gz QGHXTAGVUGPSSB-UHFFFAOYSA-N 0 0 245.282 2.111 20 10 BECDRN C[C@@H](C(=O)N(C)Cc1ccccc1O)C1CC1 ZINC000175815195 175602257 /nfs/dbraw/zinc/60/22/57/175602257.db2.gz UFRFRSRPAZYZMZ-SNVBAGLBSA-N 0 0 233.311 2.397 20 10 BECDRN C[C@H]([NH2+]CCCCO)c1ccc(F)c(F)c1[O-] ZINC000279599259 176843575 /nfs/dbraw/zinc/84/35/75/176843575.db2.gz WAEZWKYNTRJTDO-QMMMGPOBSA-N 0 0 245.269 2.094 20 10 BECDRN C[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000110799566 177091995 /nfs/dbraw/zinc/09/19/95/177091995.db2.gz YVLUMFCDWYSQFY-LBPRGKRZSA-N 0 0 246.354 2.460 20 10 BECDRN C[C@H]1OCCN(Cc2cccc(F)c2O)[C@@H]1C ZINC000272287907 177399471 /nfs/dbraw/zinc/39/94/71/177399471.db2.gz NTFOCUYGTNCSCZ-NXEZZACHSA-N 0 0 239.290 2.141 20 10 BECDRN CN(C(=O)/C=C\c1cncs1)c1ccccn1 ZINC000492979335 226095572 /nfs/dbraw/zinc/09/55/72/226095572.db2.gz AXISSBZRCVNURR-WAYWQWQTSA-N 0 0 245.307 2.214 20 10 BECDRN C[C@@H]1[C@@H](C(=O)NCc2ccccc2O)[C@H]1C1CC1 ZINC000528854197 262977833 /nfs/dbraw/zinc/97/78/33/262977833.db2.gz IVIUHIAXVUUHFX-CUOATXAZSA-N 0 0 245.322 2.301 20 10 BECDRN CC[C@H]1C[C@H](C)CN1C(=O)Cc1ccc(N)cc1 ZINC000262631750 536173647 /nfs/dbraw/zinc/17/36/47/536173647.db2.gz LCBMGTGMDUIUBD-FZMZJTMJSA-N 0 0 246.354 2.458 20 10 BECDRN Cc1ccc(O)c(C[NH2+]CC2(C(=O)[O-])CCC2)c1 ZINC000854244909 588782058 /nfs/dbraw/zinc/78/20/58/588782058.db2.gz XNLJTEHZHDMLOX-UHFFFAOYSA-N 0 0 249.310 2.045 20 10 BECDRN CC1(c2nc(Cc3ccc(N)cc3)no2)CC1 ZINC000843160214 582601645 /nfs/dbraw/zinc/60/16/45/582601645.db2.gz WRAQOZFUDFCWNI-UHFFFAOYSA-N 0 0 229.283 2.294 20 10 BECDRN CC1(C)C[C@]1(C)NC(=O)C1=CC(=O)CS1 ZINC000856138367 588862713 /nfs/dbraw/zinc/86/27/13/588862713.db2.gz XTRNGXVXICQPKV-NSHDSACASA-N 0 0 225.313 2.372 20 10 BECDRN C[C@@H]1OCC[C@H]1Sc1nccs1 ZINC000892967566 583023561 /nfs/dbraw/zinc/02/35/61/583023561.db2.gz KLPQADSUGUPKHF-NKWVEPMBSA-N 0 0 201.316 2.413 20 10 BECDRN COc1ccc(O)c(CNC(=O)C2CCCC2)c1 ZINC000114542233 588874735 /nfs/dbraw/zinc/87/47/35/588874735.db2.gz ITWJTEZYBBHAPG-UHFFFAOYSA-N 0 0 249.310 2.207 20 10 BECDRN CCCCC(=O)NCc1cc(OC)ccc1O ZINC000114544222 588875032 /nfs/dbraw/zinc/87/50/32/588875032.db2.gz WQNOJTIMBOONFO-UHFFFAOYSA-N 0 0 237.299 2.207 20 10 BECDRN O=C(N[C@@H]1C[C@@H]2CCC[C@@H]12)C1=CC(=O)CS1 ZINC000889605395 583578469 /nfs/dbraw/zinc/57/84/69/583578469.db2.gz IBMAVPOONIEVDL-FXBDTBDDSA-N 0 0 237.324 2.372 20 10 BECDRN 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/nfs/dbraw/zinc/84/21/64/590842164.db2.gz RLTDKLWAKSJAOO-SECBINFHSA-N 0 0 247.298 2.188 20 10 BECDRN Cc1nc([C@H](C)N[C@@H](C)c2ccccc2O)no1 ZINC000879650601 590843761 /nfs/dbraw/zinc/84/37/61/590843761.db2.gz ITZXQCWZPALDQB-IUCAKERBSA-N 0 0 247.298 2.495 20 10 BECDRN O=C(NC[C@@H]1C=CCC1)C1=CC(=O)CS1 ZINC000881495345 591218275 /nfs/dbraw/zinc/21/82/75/591218275.db2.gz VBABJKHDQTZIMN-MRVPVSSYSA-N 0 0 223.297 2.150 20 10 BECDRN Cc1oncc1C[N@@H+](C)Cc1ccccc1O ZINC000129063564 591226525 /nfs/dbraw/zinc/22/65/25/591226525.db2.gz FTYDUPQEHPHDFN-UHFFFAOYSA-N 0 0 232.283 2.321 20 10 BECDRN Cc1cc(C(=O)NCc2ccccc2O)co1 ZINC000130564629 591483266 /nfs/dbraw/zinc/48/32/66/591483266.db2.gz QRICQSZRIRMYRN-UHFFFAOYSA-N 0 0 231.251 2.224 20 10 BECDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCC[C@@H]1O ZINC000133262302 591780915 /nfs/dbraw/zinc/78/09/15/591780915.db2.gz TXHYCQYKGKNNBX-QWRGUYRKSA-N 0 0 241.718 2.049 20 10 BECDRN O=[N+]([O-])c1ccc(NCc2ccccc2O)cn1 ZINC000134762192 591949334 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C[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccc(F)cc1[O-] ZINC000248491359 642389011 /nfs/dbraw/zinc/38/90/11/642389011.db2.gz IPILXKHCDRUQGR-XXILOJSOSA-N 0 0 239.290 2.095 20 10 BECDRN CCCN1CCOc2cc(N(C)C)ccc21 ZINC000175031295 642650603 /nfs/dbraw/zinc/65/06/03/642650603.db2.gz BUUFANISIOZJGO-UHFFFAOYSA-N 0 0 220.316 2.361 20 10 BECDRN CCOCCCN(C)c1ccc2c(c1)OCO2 ZINC000121243476 643074023 /nfs/dbraw/zinc/07/40/23/643074023.db2.gz DWNMQGAXKVNSCQ-UHFFFAOYSA-N 0 0 237.299 2.278 20 10 BECDRN Cc1noc([C@H](C)NCc2cc(C)ccc2O)n1 ZINC000733328212 643328857 /nfs/dbraw/zinc/32/88/57/643328857.db2.gz LFCVLRYSYSWDFV-VIFPVBQESA-N 0 0 247.298 2.243 20 10 BECDRN C[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccc(F)cc1[O-] ZINC000186066961 643436123 /nfs/dbraw/zinc/43/61/23/643436123.db2.gz IPILXKHCDRUQGR-UWJYBYFXSA-N 0 0 239.290 2.095 20 10 BECDRN C[C@@H]1CCC(=O)CN1Cc1ccc(N(C)C)cc1 ZINC000932878270 643599054 /nfs/dbraw/zinc/59/90/54/643599054.db2.gz XDTJFEHBTMIZMT-GFCCVEGCSA-N 0 0 246.354 2.306 20 10 BECDRN CN(Cc1ccccc1O)C(=O)OCC1CC1 ZINC000192886455 644194325 /nfs/dbraw/zinc/19/43/25/644194325.db2.gz ZVGOSJOEXGRXEO-UHFFFAOYSA-N 0 0 235.283 2.371 20 10 BECDRN C[C@H]1CC[C@H](C)N1C(=O)c1cccc(O)c1O ZINC000193132960 644216036 /nfs/dbraw/zinc/21/60/36/644216036.db2.gz CWGIBEBRMXRNAN-IUCAKERBSA-N 0 0 235.283 2.111 20 10 BECDRN CC[C@H](Sc1nccs1)C(=O)OC ZINC000194356044 644313568 /nfs/dbraw/zinc/31/35/68/644313568.db2.gz PITKRINGSSKEOB-LURJTMIESA-N 0 0 217.315 2.187 20 10 BECDRN Cc1ccc(O)c(CNc2nncs2)c1 ZINC000083351312 644403962 /nfs/dbraw/zinc/40/39/62/644403962.db2.gz IWZCSERSBHPVLL-UHFFFAOYSA-N 0 0 221.285 2.164 20 10 BECDRN CCC[C@@](C)([NH2+]Cc1ccccc1O)C(=O)[O-] ZINC000086732023 644471589 /nfs/dbraw/zinc/47/15/89/644471589.db2.gz BIDBXXJWHMIREW-CYBMUJFWSA-N 0 0 237.299 2.125 20 10 BECDRN CN(C(=O)CC[C@H]1CCCO1)c1ccc(N)cc1 ZINC000087205561 644481735 /nfs/dbraw/zinc/48/17/35/644481735.db2.gz MEGHNIQQVSFCIZ-CYBMUJFWSA-N 0 0 248.326 2.191 20 10 BECDRN Cc1cc(N(C)C)ccc1CNC(=O)C1=CCC1 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Cc1ccc(CN(C)Cc2c[nH]cn2)c(O)c1 ZINC000877620238 590375852 /nfs/dbraw/zinc/37/58/52/590375852.db2.gz QWWOMTDTISPIKN-UHFFFAOYSA-N 0 0 231.299 2.056 20 10 BECDRN Cc1ncc(CN2Cc3cccc(O)c3C2)o1 ZINC000877703271 590396597 /nfs/dbraw/zinc/39/65/97/590396597.db2.gz ZGMPINJPWOQIRB-UHFFFAOYSA-N 0 0 230.267 2.204 20 10 BECDRN Oc1cccc2c1CN(Cc1ccns1)C2 ZINC000877703077 590396744 /nfs/dbraw/zinc/39/67/44/590396744.db2.gz QDFCMVXQOVVSLH-UHFFFAOYSA-N 0 0 232.308 2.365 20 10 BECDRN CO[C@H]1C[C@@H](CN(C)c2ccc3c(c2)OCO3)C1 ZINC000878302492 590538343 /nfs/dbraw/zinc/53/83/43/590538343.db2.gz OJONZSZXHIKWPQ-KLPPZKSPSA-N 0 0 249.310 2.277 20 10 BECDRN Cc1noc([C@@H](C)N[C@H](C)c2ccccc2O)n1 ZINC000879648800 590841191 /nfs/dbraw/zinc/84/11/91/590841191.db2.gz FCVCRJMTFRRGCD-RKDXNWHRSA-N 0 0 247.298 2.495 20 10 BECDRN Cc1noc([C@@H](C)N[C@@H](C)c2ccccc2O)n1 ZINC000879651635 590843629 /nfs/dbraw/zinc/84/36/29/590843629.db2.gz FCVCRJMTFRRGCD-DTWKUNHWSA-N 0 0 247.298 2.495 20 10 BECDRN Cc1ncnc(N(C)Cc2ccccc2O)c1C ZINC000882139127 591304975 /nfs/dbraw/zinc/30/49/75/591304975.db2.gz QQWWTXCHTRBNGF-UHFFFAOYSA-N 0 0 243.310 2.435 20 10 BECDRN C[C@H]1CN(Cc2c(O)cccc2Cl)CCO1 ZINC000132477075 591711606 /nfs/dbraw/zinc/71/16/06/591711606.db2.gz MKRMBMPMXHAITB-VIFPVBQESA-N 0 0 241.718 2.266 20 10 BECDRN COc1ccc(CNc2ncc(C)o2)c(O)c1 ZINC000884494204 591955884 /nfs/dbraw/zinc/95/58/84/591955884.db2.gz NBPRCVSGVAVYJV-UHFFFAOYSA-N 0 0 234.255 2.309 20 10 BECDRN C[C@H]([NH2+][C@H]1CCCOC1)c1c([O-])cccc1F ZINC000886525159 592246478 /nfs/dbraw/zinc/24/64/78/592246478.db2.gz YRITXULCOBEVQB-UWVGGRQHSA-N 0 0 239.290 2.361 20 10 BECDRN CO[C@@H](C)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886596264 592271176 /nfs/dbraw/zinc/27/11/76/592271176.db2.gz AHIJPAZLOCUQLD-IUCAKERBSA-N 0 0 227.279 2.217 20 10 BECDRN C[C@H](O)CCC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886603390 592272582 /nfs/dbraw/zinc/27/25/82/592272582.db2.gz MXUKHQQVTSMERK-UWVGGRQHSA-N 0 0 241.306 2.343 20 10 BECDRN C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1c([O-])cccc1F ZINC000886623870 592278847 /nfs/dbraw/zinc/27/88/47/592278847.db2.gz QRQSITXPWXQDFK-FBIMIBRVSA-N 0 0 239.290 2.095 20 10 BECDRN C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1c([O-])cccc1F ZINC000886631548 592282391 /nfs/dbraw/zinc/28/23/91/592282391.db2.gz PRBYOTAIPRYNJX-KXUCPTDWSA-N 0 0 239.290 2.359 20 10 BECDRN C[C@@H](NCc1ccc(N(C)C)cc1)c1ncc[nH]1 ZINC000139082404 592363311 /nfs/dbraw/zinc/36/33/11/592363311.db2.gz CUFQBBZKUULKNJ-LLVKDONJSA-N 0 0 244.342 2.327 20 10 BECDRN Nc1ccc(-n2cc([C@H]3CCCCO3)nn2)cc1 ZINC000887407812 592503373 /nfs/dbraw/zinc/50/33/73/592503373.db2.gz SSZHWNPGJFSDED-CYBMUJFWSA-N 0 0 244.298 2.091 20 10 BECDRN C[C@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@@H]1C ZINC000092091213 631549083 /nfs/dbraw/zinc/54/90/83/631549083.db2.gz QVZOFRSZQWQMOK-UWVGGRQHSA-N 0 0 233.315 2.389 20 10 BECDRN CO[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000158751377 632485208 /nfs/dbraw/zinc/48/52/08/632485208.db2.gz CIIAMQTXACGLSN-VXGBXAGGSA-N 0 0 239.290 2.188 20 10 BECDRN CC(C)(CO)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162872752 633041179 /nfs/dbraw/zinc/04/11/79/633041179.db2.gz SZQVKMNWWSMEFX-UHFFFAOYSA-N 0 0 243.734 2.154 20 10 BECDRN C[C@@H](O)C[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000164561359 633079777 /nfs/dbraw/zinc/07/97/77/633079777.db2.gz HFNWEUYBHOPXOG-DTWKUNHWSA-N 0 0 243.734 2.295 20 10 BECDRN C[C@H]([NH2+]CC1(O)CCC1)c1ccc(F)cc1[O-] ZINC000168762415 633146817 /nfs/dbraw/zinc/14/68/17/633146817.db2.gz WJPASLGUQGDNBC-VIFPVBQESA-N 0 0 239.290 2.097 20 10 BECDRN c1csc(SCc2ncccn2)n1 ZINC000306314431 635962988 /nfs/dbraw/zinc/96/29/88/635962988.db2.gz OISAJWORUPBDCJ-UHFFFAOYSA-N 0 0 209.299 2.225 20 10 BECDRN Cn1ncnc1Sc1ncc(Cl)s1 ZINC000307411131 635987822 /nfs/dbraw/zinc/98/78/22/635987822.db2.gz PTSRLNKXSIRCIN-UHFFFAOYSA-N 0 0 232.721 2.076 20 10 BECDRN CN(Cc1cccc(F)c1O)CC(F)F ZINC000163164346 636079502 /nfs/dbraw/zinc/07/95/02/636079502.db2.gz GQMDMOMVEKLMFI-UHFFFAOYSA-N 0 0 219.206 2.228 20 10 BECDRN CC/C=C(\C)C(=O)NCc1cc(OC)ccc1O ZINC000178283832 633842299 /nfs/dbraw/zinc/84/22/99/633842299.db2.gz ZCQBSDNJJUHULC-BJMVGYQFSA-N 0 0 249.310 2.373 20 10 BECDRN Cc1cc(N(C)C)ccc1CNC(CF)CF ZINC000840950626 635344230 /nfs/dbraw/zinc/34/42/30/635344230.db2.gz MALBWOSXHVUYIP-UHFFFAOYSA-N 0 0 242.313 2.458 20 10 BECDRN CN(C[C@@H]1CCCCO1)c1ccc(N)cc1 ZINC000036231126 635552993 /nfs/dbraw/zinc/55/29/93/635552993.db2.gz PPCNQWWDMWSVGO-ZDUSSCGKSA-N 0 0 220.316 2.274 20 10 BECDRN Cc1nc(CSc2nccs2)no1 ZINC000064661309 636058952 /nfs/dbraw/zinc/05/89/52/636058952.db2.gz GICNITNCUFAWFX-UHFFFAOYSA-N 0 0 213.287 2.127 20 10 BECDRN CCOc1ccccc1NC[C@H](O)CC ZINC000037688387 711466946 /nfs/dbraw/zinc/46/69/46/711466946.db2.gz PHPBKRNXBMVFRH-SNVBAGLBSA-N 0 0 209.289 2.268 20 10 BECDRN CCCCCC(=O)NCc1ccc(O)cc1O ZINC000910951084 639541665 /nfs/dbraw/zinc/54/16/65/639541665.db2.gz AGMJWZCHFHFYCG-UHFFFAOYSA-N 0 0 237.299 2.294 20 10 BECDRN CC(C)(C)CC(=O)NCc1ccc(O)cc1O ZINC000910952221 639542934 /nfs/dbraw/zinc/54/29/34/639542934.db2.gz SUMDORVELPQRFU-UHFFFAOYSA-N 0 0 237.299 2.150 20 10 BECDRN C/C(=C/C(=O)NCc1ccc(O)cc1O)C1CC1 ZINC000910952024 639543904 /nfs/dbraw/zinc/54/39/04/639543904.db2.gz PFXUOVRVHUSYDI-TWGQIWQCSA-N 0 0 247.294 2.070 20 10 BECDRN CCC/C(C)=C/C(=O)NCc1ccc(O)cc1O ZINC000910952005 639544094 /nfs/dbraw/zinc/54/40/94/639544094.db2.gz OQKBAADHQASCEE-JXMROGBWSA-N 0 0 249.310 2.460 20 10 BECDRN CC(C)[C@@H]1C[C@H]1C(=O)NCc1ccc(O)cc1O ZINC000910947500 639549064 /nfs/dbraw/zinc/54/90/64/639549064.db2.gz GDHFZKDYVPHJSZ-NWDGAFQWSA-N 0 0 249.310 2.006 20 10 BECDRN CC[C@H](C)CC(=O)NCc1ccc(O)cc1O ZINC000910947851 639550103 /nfs/dbraw/zinc/55/01/03/639550103.db2.gz PCYBAOKWVJGFEN-VIFPVBQESA-N 0 0 237.299 2.150 20 10 BECDRN CO[C@@H]1CCC[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000911659843 639692516 /nfs/dbraw/zinc/69/25/16/639692516.db2.gz FNGQNNZFDKXPGI-VXGBXAGGSA-N 0 0 234.299 2.022 20 10 BECDRN O=C(CCF)NCc1cc(Cl)ccc1O ZINC000911896433 639873342 /nfs/dbraw/zinc/87/33/42/639873342.db2.gz AWTVMNPWMSFRLI-UHFFFAOYSA-N 0 0 231.654 2.021 20 10 BECDRN Cc1cc(N(C)C)ccc1CNC(=O)C1(C)CC1 ZINC000156048524 640061182 /nfs/dbraw/zinc/06/11/82/640061182.db2.gz RUQIASHUHIYFAW-UHFFFAOYSA-N 0 0 246.354 2.477 20 10 BECDRN C[C@H]1OCC[C@]1(C)[NH2+]Cc1cccc(F)c1[O-] ZINC000230392091 641049577 /nfs/dbraw/zinc/04/95/77/641049577.db2.gz BZMWWAOQYBIIMI-RNCFNFMXSA-N 0 0 239.290 2.188 20 10 BECDRN C[C@]1(C(=O)NCc2ccc(O)c(O)c2)C=CCC1 ZINC000934943316 641308144 /nfs/dbraw/zinc/30/81/44/641308144.db2.gz HQEWBGUVCZBZBG-AWEZNQCLSA-N 0 0 247.294 2.070 20 10 BECDRN CC[C@@H](NC(=O)c1cccc(O)c1O)C1CC1 ZINC000324136837 641566532 /nfs/dbraw/zinc/56/65/32/641566532.db2.gz JQHFITVUDIOAQI-SNVBAGLBSA-N 0 0 235.283 2.016 20 10 BECDRN O=C(NCc1ccc(O)c(O)c1)c1cccs1 ZINC000158864065 641655134 /nfs/dbraw/zinc/65/51/34/641655134.db2.gz SCTDSSYCPQHRFM-UHFFFAOYSA-N 0 0 249.291 2.089 20 10 BECDRN CC(C)[C@H](NC(=O)Cc1ccc(N)cc1)C1CC1 ZINC000324463719 641875766 /nfs/dbraw/zinc/87/57/66/641875766.db2.gz YQZMUJANWMCXMK-HNNXBMFYSA-N 0 0 246.354 2.362 20 10 BECDRN C[C@H](CCO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000191144192 641902333 /nfs/dbraw/zinc/90/23/33/641902333.db2.gz LECVYGLFLOWJSK-SSDOTTSWSA-N 0 0 247.697 2.045 20 10 BECDRN Cc1c[nH]nc1CSc1nccs1 ZINC000916759891 641975972 /nfs/dbraw/zinc/97/59/72/641975972.db2.gz VMCPSZGSOQPNPJ-UHFFFAOYSA-N 0 0 211.315 2.467 20 10 BECDRN COc1ccc2c(c1)CCCN2C[C@@H]1CCOC1 ZINC000917076763 642001238 /nfs/dbraw/zinc/00/12/38/642001238.db2.gz DQNCWTWYZFWMQL-LBPRGKRZSA-N 0 0 247.338 2.484 20 10 BECDRN CCN(C(=O)Nc1ccc(N)cc1)C1CC1 ZINC000035408120 642165168 /nfs/dbraw/zinc/16/51/68/642165168.db2.gz RBKSXYYBLOBZCA-UHFFFAOYSA-N 0 0 219.288 2.285 20 10 BECDRN CCCNC(=O)[C@@H](C)Sc1nccs1 ZINC000919676948 642372506 /nfs/dbraw/zinc/37/25/06/642372506.db2.gz AWXQTIWATHIPTE-SSDOTTSWSA-N 0 0 230.358 2.150 20 10 BECDRN C[C@@H]1C[C@H](C)N(C(=O)Cc2ccc(N)cc2)C1 ZINC000157147346 642381415 /nfs/dbraw/zinc/38/14/15/642381415.db2.gz ZTLHEDRGBLMWTM-MNOVXSKESA-N 0 0 232.327 2.068 20 10 BECDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@@H]1C ZINC000115279990 642981371 /nfs/dbraw/zinc/98/13/71/642981371.db2.gz AYCJMMBAWXHEGQ-SMDDNHRTSA-N 0 0 246.354 2.333 20 10 BECDRN Cc1ccc(C(=O)N2[C@@H](C)CC[C@@H]2C)c(O)c1O ZINC000182599193 643037507 /nfs/dbraw/zinc/03/75/07/643037507.db2.gz PTDTWGBOBABTAL-UWVGGRQHSA-N 0 0 249.310 2.419 20 10 BECDRN c1nc(CNCc2ccc3c(c2)CCCO3)co1 ZINC000921715494 643761830 /nfs/dbraw/zinc/76/18/30/643761830.db2.gz TUNFCTNGTPGHOI-UHFFFAOYSA-N 0 0 244.294 2.289 20 10 BECDRN CN(C)c1ccc(CNC(=O)N(C)C2CC2)cc1 ZINC000194439594 644319795 /nfs/dbraw/zinc/31/97/95/644319795.db2.gz QNPTZVVSRXJHEE-UHFFFAOYSA-N 0 0 247.342 2.056 20 10 BECDRN COC(=O)/C(C)=C/CSc1nccs1 ZINC000084001535 644415509 /nfs/dbraw/zinc/41/55/09/644415509.db2.gz TZWMUWIYCCZXHH-XVNBXDOJSA-N 0 0 229.326 2.355 20 10 BECDRN Nc1ccc(CC(=O)N[C@@H]2CC=CCC2)cc1 ZINC000088746439 644528611 /nfs/dbraw/zinc/52/86/11/644528611.db2.gz IVKRDAKEDJLKLR-CYBMUJFWSA-N 0 0 230.311 2.036 20 10 BECDRN CC1(CNC(=O)NCc2ccccc2O)CCC1 ZINC000752024655 644601932 /nfs/dbraw/zinc/60/19/32/644601932.db2.gz KPKRTTICJQDAAK-UHFFFAOYSA-N 0 0 248.326 2.382 20 10 BECDRN COc1ccccc1CSCC(=O)C(C)=O ZINC000808021769 644871339 /nfs/dbraw/zinc/87/13/39/644871339.db2.gz CEQVBNHYBQTOLK-UHFFFAOYSA-N 0 0 238.308 2.087 20 10 BECDRN CC(=O)C(=O)COC(=O)C[C@H](C)CC(C)(C)C ZINC000808507096 644882867 /nfs/dbraw/zinc/88/28/67/644882867.db2.gz YXXFOAHJICSGQT-VIFPVBQESA-N 0 0 242.315 2.150 20 10 BECDRN CC(C)(C)CNC(=O)NCCc1ccc(N)cc1 ZINC000841735183 645229205 /nfs/dbraw/zinc/22/92/05/645229205.db2.gz QRZNKTFLTXDALC-UHFFFAOYSA-N 0 0 249.358 2.157 20 10 BECDRN Cc1nnc(COc2ccc(N(C)C)cc2)o1 ZINC000842043503 645238761 /nfs/dbraw/zinc/23/87/61/645238761.db2.gz LFOGVMVEZSFIHF-UHFFFAOYSA-N 0 0 233.271 2.023 20 10 BECDRN FC(F)OCCSc1nccs1 ZINC000853016821 645490520 /nfs/dbraw/zinc/49/05/20/645490520.db2.gz RLTVWMDAVWFLDE-UHFFFAOYSA-N 0 0 211.258 2.474 20 10 BECDRN O=C(C1=CC(=O)CS1)N1CC(CC2CC2)C1 ZINC000857408090 645552899 /nfs/dbraw/zinc/55/28/99/645552899.db2.gz DXVZPOLCRIWSJJ-UHFFFAOYSA-N 0 0 237.324 2.326 20 10 BECDRN CO[C@H](C)CC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703215527 712068252 /nfs/dbraw/zinc/06/82/52/712068252.db2.gz UZMRFHFHZLYVFQ-MRVPVSSYSA-N 0 0 245.269 2.185 20 10 BECDRN COCCC[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703517577 712078024 /nfs/dbraw/zinc/07/80/24/712078024.db2.gz MJVYKELDGUUQDQ-UHFFFAOYSA-N 0 0 245.269 2.139 20 10 BECDRN COCCC[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000708415605 712194319 /nfs/dbraw/zinc/19/43/19/712194319.db2.gz ZRZTVROLVYUBRD-UHFFFAOYSA-N 0 0 245.269 2.139 20 10 BECDRN CC1(C(=O)NCc2ccc(N)cc2)CCC1 ZINC000720678696 712861458 /nfs/dbraw/zinc/86/14/58/712861458.db2.gz DEWFFUFJMFKDJP-UHFFFAOYSA-N 0 0 218.300 2.075 20 10 BECDRN C/C=C/C=C\C(=O)N(C)Cc1ccccc1O ZINC000384021742 712899407 /nfs/dbraw/zinc/89/94/07/712899407.db2.gz ZRBKCDRZYTXGOQ-STMOGGTPSA-N 0 0 231.295 2.483 20 10 BECDRN CC[C@@H]([NH2+]CCOC)c1ccc(F)cc1[O-] ZINC000381551188 710653859 /nfs/dbraw/zinc/65/38/59/710653859.db2.gz MULQNOVGSJGLPH-LLVKDONJSA-N 0 0 227.279 2.218 20 10 BECDRN CCOC(=O)c1cnc(SCCOC)s1 ZINC000389599792 711082423 /nfs/dbraw/zinc/08/24/23/711082423.db2.gz STWVCNCMJQEJRM-UHFFFAOYSA-N 0 0 247.341 2.058 20 10 BECDRN C[C@]1(NC(=O)c2cccc(O)c2O)CC=CCC1 ZINC000398367935 711409619 /nfs/dbraw/zinc/40/96/19/711409619.db2.gz IBABVVPRODGEJI-AWEZNQCLSA-N 0 0 247.294 2.326 20 10 BECDRN C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1cccc(O)c1O ZINC000399520351 711430709 /nfs/dbraw/zinc/43/07/09/711430709.db2.gz CHOYIZFMGWIRIV-KXUCPTDWSA-N 0 0 249.310 2.214 20 10 BECDRN CC[C@]1(C)CCN(C(=O)c2cccc(O)c2O)C1 ZINC000399303100 711427690 /nfs/dbraw/zinc/42/76/90/711427690.db2.gz OAOFZEOFOQSXFD-CQSZACIVSA-N 0 0 249.310 2.360 20 10 BECDRN CC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000381197142 710608470 /nfs/dbraw/zinc/60/84/70/710608470.db2.gz BIUMWNGPWWLNKL-VIFPVBQESA-N 0 0 247.697 2.045 20 10 BECDRN CO[C@H]1C[C@@H](CN(C)c2ccc(N)cc2)C1 ZINC000721969640 710693734 /nfs/dbraw/zinc/69/37/34/710693734.db2.gz BWSUMFMHLUIMGC-GSJFWJNXSA-N 0 0 220.316 2.130 20 10 BECDRN O=C(NCCC1CC=CC1)c1cccc(O)c1O ZINC000724403091 710740227 /nfs/dbraw/zinc/74/02/27/710740227.db2.gz GJFCCDBLJJWUSK-UHFFFAOYSA-N 0 0 247.294 2.184 20 10 BECDRN Oc1cccc2c1[C@H](NCc1cocn1)CC2 ZINC000397849109 711393864 /nfs/dbraw/zinc/39/38/64/711393864.db2.gz JDWDZURSSUVGOT-LLVKDONJSA-N 0 0 230.267 2.157 20 10 BECDRN O=C(N[C@H]1CC12CCCC2)c1cccc(O)c1O ZINC000387336226 711788214 /nfs/dbraw/zinc/78/82/14/711788214.db2.gz SQTRFTIQNCQAST-NSHDSACASA-N 0 0 247.294 2.160 20 10 BECDRN COc1ccc(O)c(CNCC(C)(F)F)c1 ZINC000700079375 711985492 /nfs/dbraw/zinc/98/54/92/711985492.db2.gz APEJKGCIEXUCLW-UHFFFAOYSA-N 0 0 231.242 2.146 20 10 BECDRN CC1(C)CC(CNC(=O)c2cccc(O)c2O)C1 ZINC000701446282 712023594 /nfs/dbraw/zinc/02/35/94/712023594.db2.gz VEPNTUKBMMFDAJ-UHFFFAOYSA-N 0 0 249.310 2.264 20 10 BECDRN CC(C)CC1(NC(=O)c2cccc(O)c2O)CC1 ZINC000701470238 712024412 /nfs/dbraw/zinc/02/44/12/712024412.db2.gz MQJRJWNVKHNKAU-UHFFFAOYSA-N 0 0 249.310 2.406 20 10 BECDRN CN(C(=O)C1CC=CC1)c1ccc(N)cc1 ZINC000702069664 712037274 /nfs/dbraw/zinc/03/72/74/712037274.db2.gz PHQJXBMVKZYKSX-UHFFFAOYSA-N 0 0 216.284 2.198 20 10 BECDRN O=C(NCc1ccccc1O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000702516753 712054234 /nfs/dbraw/zinc/05/42/34/712054234.db2.gz LGQCVPAQUKFDBE-GDNZZTSVSA-N 0 0 231.295 2.055 20 10 BECDRN CC(C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703214976 712068492 /nfs/dbraw/zinc/06/84/92/712068492.db2.gz PSMNJDXVOJYANI-UHFFFAOYSA-N 0 0 201.216 2.168 20 10 BECDRN [O-]c1c(C[NH2+][C@@H]2CCSC2)ccc(F)c1F ZINC000703295977 712071381 /nfs/dbraw/zinc/07/13/81/712071381.db2.gz OOMMHNPJVNNGND-MRVPVSSYSA-N 0 0 245.294 2.266 20 10 BECDRN C[C@@H](NCc1ncccn1)c1ccccc1O ZINC000705437950 712131359 /nfs/dbraw/zinc/13/13/59/712131359.db2.gz CHSQOIGNZPIPKK-SNVBAGLBSA-N 0 0 229.283 2.033 20 10 BECDRN CO[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000706483567 712147368 /nfs/dbraw/zinc/14/73/68/712147368.db2.gz MZDIOWMOGVKEFV-GMTAPVOTSA-N 0 0 221.300 2.220 20 10 BECDRN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H]3C[C@@H]32)c1[O-] ZINC000707054670 712164334 /nfs/dbraw/zinc/16/43/34/712164334.db2.gz PAKNPALNKVDUFC-RNCFNFMXSA-N 0 0 249.285 2.328 20 10 BECDRN C[C@H]([NH2+]CCc1cn[nH]c1)c1ccc(F)cc1[O-] ZINC000379591059 712389985 /nfs/dbraw/zinc/38/99/85/712389985.db2.gz WDIUQPASQOGHTH-VIFPVBQESA-N 0 0 249.289 2.148 20 10 BECDRN CC(F)(F)CCC(=O)NCc1ccccc1O ZINC000713984869 712476145 /nfs/dbraw/zinc/47/61/45/712476145.db2.gz DBXKGTVCBYQVEH-UHFFFAOYSA-N 0 0 243.253 2.444 20 10 BECDRN CC[C@@H](C)N(CC)C(=O)Cc1ccc(N)cc1 ZINC000037112085 712542344 /nfs/dbraw/zinc/54/23/44/712542344.db2.gz LERLRSQBZMPBPW-LLVKDONJSA-N 0 0 234.343 2.458 20 10 BECDRN COc1ccc2c(c1)CCN2Cc1cnccn1 ZINC000813334770 712587934 /nfs/dbraw/zinc/58/79/34/712587934.db2.gz YBMGYIPVZAKKPU-UHFFFAOYSA-N 0 0 241.294 2.048 20 10 BECDRN Nc1ccc(NC(=O)N[C@@H]2C[C@H]2C2CC2)cc1 ZINC000716980944 712602778 /nfs/dbraw/zinc/60/27/78/712602778.db2.gz YSHQWQMIERBIHW-NWDGAFQWSA-N 0 0 231.299 2.189 20 10 BECDRN Cc1ccc(O)c(CNC(=O)[C@@H](F)C(C)C)c1 ZINC000862757249 712619088 /nfs/dbraw/zinc/61/90/88/712619088.db2.gz MTXRESKCRPNECF-LBPRGKRZSA-N 0 0 239.290 2.311 20 10 BECDRN CC[C@@H]1CCCN1C(=O)Cc1ccc(N)cc1 ZINC000037912675 712785708 /nfs/dbraw/zinc/78/57/08/712785708.db2.gz PSRRPXHRYJTDRL-CYBMUJFWSA-N 0 0 232.327 2.212 20 10 BECDRN CN(C(=O)C1(C)CCC1)c1ccc(N)cc1 ZINC000720743603 712863319 /nfs/dbraw/zinc/86/33/19/712863319.db2.gz PBIIOTQKFXKHGV-UHFFFAOYSA-N 0 0 218.300 2.422 20 10 BECDRN Cc1ccc(O)c([C@H](C)[NH2+]CCCC(=O)[O-])c1 ZINC000037418542 967510228 /nfs/dbraw/zinc/51/02/28/967510228.db2.gz WCVSYDYLJYDFMR-JTQLQIEISA-N 0 0 237.299 2.216 20 10 BECDRN Cc1cc(C)c(-c2ccn(C)c(=O)c2)cn1 ZINC001240989197 968846955 /nfs/dbraw/zinc/84/69/55/968846955.db2.gz SBDZJNICBCWIDM-UHFFFAOYSA-N 0 0 214.268 2.064 20 10 BECDRN COc1ccc(O)c([C@H](C)NC(=O)CC2CC2)c1 ZINC000728979060 1166966333 /nfs/dbraw/zinc/96/63/33/1166966333.db2.gz XQVUIMRRCGMHBU-VIFPVBQESA-N 0 0 249.310 2.378 20 10 BECDRN O=C(Nc1c2nonc2ccc1Cl)C(F)F ZINC001271357066 1167330121 /nfs/dbraw/zinc/33/01/21/1167330121.db2.gz SQACYUVKYUABFT-UHFFFAOYSA-N 0 0 247.588 2.080 20 10 BECDRN COCC[N@H+](Cc1cccc(F)c1[O-])C(C)C ZINC000160254065 982545741 /nfs/dbraw/zinc/54/57/41/982545741.db2.gz LUHGEUQTENVGEF-UHFFFAOYSA-N 0 0 241.306 2.388 20 10 BECDRN CN(CC1CCC1)C(=O)C1=CC(=O)CS1 ZINC001353752605 982994534 /nfs/dbraw/zinc/99/45/34/982994534.db2.gz JNCBCWLVHOCYGW-UHFFFAOYSA-N 0 0 225.313 2.326 20 10 BECDRN CCOCCCN(C)c1ccc(N)cc1 ZINC000083551692 1169166945 /nfs/dbraw/zinc/16/69/45/1169166945.db2.gz YKNXNBSFMCCBMD-UHFFFAOYSA-N 0 0 208.305 2.132 20 10 BECDRN Cn1ccc2c1nccc2-c1cccnc1N ZINC001243477552 970771527 /nfs/dbraw/zinc/77/15/27/970771527.db2.gz SUCUDAMJAJWEGK-UHFFFAOYSA-N 0 0 224.267 2.218 20 10 BECDRN COCOc1ccc(Nc2ccc(N)cc2)cn1 ZINC001215666649 970807485 /nfs/dbraw/zinc/80/74/85/970807485.db2.gz ZWLZYMAZJFDXBD-UHFFFAOYSA-N 0 0 245.282 2.390 20 10 BECDRN C[C@@H]1C[C@@H]1c1nnc(-c2cccc(O)c2O)o1 ZINC001256616767 970881955 /nfs/dbraw/zinc/88/19/55/970881955.db2.gz IXPTVDSSMBMEHN-SVRRBLITSA-N 0 0 232.239 2.271 20 10 BECDRN Cc1ncccc1/C=C/C(=O)N(C)c1ccon1 ZINC001130567951 971005528 /nfs/dbraw/zinc/00/55/28/971005528.db2.gz JYSRFCIUKKBWFI-AATRIKPKSA-N 0 0 243.266 2.054 20 10 BECDRN O=C(NCc1ccccc1O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403646598 971005951 /nfs/dbraw/zinc/00/59/51/971005951.db2.gz ITGRGEAAWQSBDM-NQBHXWOUSA-N 0 0 245.322 2.445 20 10 BECDRN O=c1cc2[nH]cnc(O[C@H]3C=CCC3)c-2cc1O ZINC001233949061 1169692874 /nfs/dbraw/zinc/69/28/74/1169692874.db2.gz VCLLLMLSNKRTJM-QMMMGPOBSA-N 0 0 244.250 2.138 20 10 BECDRN CC[C@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001136793061 972259867 /nfs/dbraw/zinc/25/98/67/972259867.db2.gz TXLCNMPKERKWJP-NSHDSACASA-N 0 0 249.310 2.041 20 10 BECDRN Cc1ccc(O)c(CNC(=O)c2cc(F)c[nH]2)c1 ZINC001167294132 957663291 /nfs/dbraw/zinc/66/32/91/957663291.db2.gz ZWGHZGLQQBHWSL-UHFFFAOYSA-N 0 0 248.257 2.098 20 10 BECDRN Cc1cccc(C[N@@H+]([C@H](C)C(=O)[O-])C2CC2)c1O ZINC001594403903 958878447 /nfs/dbraw/zinc/87/84/47/958878447.db2.gz FOQKSSFSWWBBJU-SNVBAGLBSA-N 0 0 249.310 2.138 20 10 BECDRN Nc1ccc(NC(=O)C2(CF)CCC2)cc1 ZINC001327072174 972390238 /nfs/dbraw/zinc/39/02/38/972390238.db2.gz PXRJOOMWYMGHEC-UHFFFAOYSA-N 0 0 222.263 2.347 20 10 BECDRN O=C(N[C@@]12C[C@@H]1CCCC2)c1cccc(O)c1O ZINC000693835617 959416464 /nfs/dbraw/zinc/41/64/64/959416464.db2.gz GDUIIXKUNOWUJG-XPTSAGLGSA-N 0 0 247.294 2.160 20 10 BECDRN COc1ccncc1Nc1ccc(N)cc1 ZINC000309435753 959875549 /nfs/dbraw/zinc/87/55/49/959875549.db2.gz MTFYAEXSHPNLOM-UHFFFAOYSA-N 0 0 215.256 2.416 20 10 BECDRN C/C=C/C=C/C(=O)N1CCc2cccc(O)c2C1 ZINC001143996920 972468445 /nfs/dbraw/zinc/46/84/45/972468445.db2.gz ARQZYCAFPKDDIC-CRBCFSCISA-N 0 0 243.306 2.409 20 10 BECDRN Cc1ccc(CN2CCC(=O)[C@@H](C)C2)c(O)c1 ZINC001140947698 960736761 /nfs/dbraw/zinc/73/67/61/960736761.db2.gz BAQPKSWFIIVBOM-NSHDSACASA-N 0 0 233.311 2.112 20 10 BECDRN CCN(Cc1ncco1)Cc1ccccc1O ZINC001141011346 960818770 /nfs/dbraw/zinc/81/87/70/960818770.db2.gz YXZBTFSQSKUCTM-UHFFFAOYSA-N 0 0 232.283 2.402 20 10 BECDRN CN(Cc1cc(O)ccc1O)CC(F)(F)F ZINC001141155677 960892718 /nfs/dbraw/zinc/89/27/18/960892718.db2.gz FLJAEFNOVOCPDL-UHFFFAOYSA-N 0 0 235.205 2.092 20 10 BECDRN CC(C)CC(=O)N1CCc2cccc(O)c2C1 ZINC001142708028 961665242 /nfs/dbraw/zinc/66/52/42/961665242.db2.gz DSBFFTHYFFBMLS-UHFFFAOYSA-N 0 0 233.311 2.323 20 10 BECDRN CCN(Cc1ccccc1O)c1ccncn1 ZINC001154881981 962881234 /nfs/dbraw/zinc/88/12/34/962881234.db2.gz PRMRMTSHBLOSJD-UHFFFAOYSA-N 0 0 229.283 2.209 20 10 BECDRN CCN(Cc1ccccc1O)c1cccnn1 ZINC001154881658 962881362 /nfs/dbraw/zinc/88/13/62/962881362.db2.gz LGQNNYOCRYSNMU-UHFFFAOYSA-N 0 0 229.283 2.209 20 10 BECDRN CCc1cnc(NCc2ccc(O)c(O)c2)nc1 ZINC001158994641 963969770 /nfs/dbraw/zinc/96/97/70/963969770.db2.gz RIUGZWPDPWZXNV-UHFFFAOYSA-N 0 0 245.282 2.062 20 10 BECDRN Oc1cc(F)c(F)cc1CN1CC[C@H](F)C1 ZINC001142509131 964343341 /nfs/dbraw/zinc/34/33/41/964343341.db2.gz XWTQGKHDZIXERP-QMMMGPOBSA-N 0 0 231.217 2.214 20 10 BECDRN Cc1nc(NCc2ccc(N)cc2)ncc1F ZINC001162785437 965167791 /nfs/dbraw/zinc/16/77/91/965167791.db2.gz DNHGIEGXWJQWEL-UHFFFAOYSA-N 0 0 232.262 2.118 20 10 BECDRN CCOc1cnc(NCc2ccc(N)cc2)nc1 ZINC001162784705 965168946 /nfs/dbraw/zinc/16/89/46/965168946.db2.gz SNJAMHYMRZAXSN-UHFFFAOYSA-N 0 0 244.298 2.070 20 10 BECDRN CSc1ccc(NCc2ccc(N)cc2)nn1 ZINC001162786949 965171681 /nfs/dbraw/zinc/17/16/81/965171681.db2.gz DEPWCRFCLWLXJT-UHFFFAOYSA-N 0 0 246.339 2.393 20 10 BECDRN Oc1cccc2c1CN(c1ncncc1Cl)C2 ZINC001163968621 965667310 /nfs/dbraw/zinc/66/73/10/965667310.db2.gz RJNIJIMARKQFNU-UHFFFAOYSA-N 0 0 247.685 2.356 20 10 BECDRN C[C@@H]1COC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000699764651 966071410 /nfs/dbraw/zinc/07/14/10/966071410.db2.gz WTHRNFCCAQFZGD-KCJUWKMLSA-N 0 0 241.718 2.170 20 10 BECDRN Cc1coc(CN2CCc3cccc(O)c3C2)n1 ZINC001237648333 966683064 /nfs/dbraw/zinc/68/30/64/966683064.db2.gz GGQZMPJXHAMLMC-UHFFFAOYSA-N 0 0 244.294 2.247 20 10 BECDRN Oc1ccccc1CN1Cc2ncsc2C1 ZINC001203561198 966687718 /nfs/dbraw/zinc/68/77/18/966687718.db2.gz MYDACHHTWPBQNN-UHFFFAOYSA-N 0 0 232.308 2.365 20 10 BECDRN CC(=O)[C@H]1CCCCN1Cc1ccc(O)c(O)c1 ZINC001203880363 966810545 /nfs/dbraw/zinc/81/05/45/966810545.db2.gz PJUZDEDYIXKUHM-GFCCVEGCSA-N 0 0 249.310 2.041 20 10 BECDRN CN(C)c1ccc(CN2C[C@H]3CC[C@@H]2CO3)cc1 ZINC001203936835 966825276 /nfs/dbraw/zinc/82/52/76/966825276.db2.gz OZKZCGZSESHCGQ-HUUCEWRRSA-N 0 0 246.354 2.116 20 10 BECDRN Oc1ccc(C[N@@H+]2CCCC[C@H](F)C2)c(O)c1 ZINC001204276907 966960740 /nfs/dbraw/zinc/96/07/40/966960740.db2.gz SZDCZAZVHJSESA-NSHDSACASA-N 0 0 239.290 2.422 20 10 BECDRN Cc1cc(Nc2ccc(N)cc2)cnc1N ZINC001249788282 967066776 /nfs/dbraw/zinc/06/67/76/967066776.db2.gz BLOUZPTUTQBLOQ-UHFFFAOYSA-N 0 0 214.272 2.298 20 10 BECDRN CN(c1ccc(N)cc1)c1cccnc1N ZINC001212405410 967066803 /nfs/dbraw/zinc/06/68/03/967066803.db2.gz AHHRUCFWEHKDKX-UHFFFAOYSA-N 0 0 214.272 2.014 20 10 BECDRN COCCc1ccc(N2CCOCC2)cc1C ZINC001249937598 967179265 /nfs/dbraw/zinc/17/92/65/967179265.db2.gz ARQFNYHITNZKIY-UHFFFAOYSA-N 0 0 235.327 2.021 20 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ZINC001169993999 969963800 /nfs/dbraw/zinc/96/38/00/969963800.db2.gz WZBFOIWHXSYZKU-UHFFFAOYSA-N 0 0 246.266 2.114 20 10 BECDRN Cc1ncc(NCc2ccc(O)c(O)c2)nc1C ZINC001169996759 969977689 /nfs/dbraw/zinc/97/76/89/969977689.db2.gz KCUCORGDUNFPOC-UHFFFAOYSA-N 0 0 245.282 2.117 20 10 BECDRN Nc1ccc(Nc2cnc(N3CCC3)nc2)cc1 ZINC001210722239 970004140 /nfs/dbraw/zinc/00/41/40/970004140.db2.gz BMKPTLFUYDCRFK-UHFFFAOYSA-N 0 0 241.298 2.013 20 10 BECDRN C[NH+](C)Cc1cc(Br)c(F)cc1[O-] ZINC001144298499 972744578 /nfs/dbraw/zinc/74/45/78/972744578.db2.gz DTTGPDOAQPZILT-UHFFFAOYSA-N 0 0 248.095 2.355 20 10 BECDRN CCC1(NC(=O)C2=CC(=O)CS2)CC1 ZINC001329295236 973646430 /nfs/dbraw/zinc/64/64/30/973646430.db2.gz GMGFQHWCRJHLNA-UHFFFAOYSA-N 0 0 211.286 2.126 20 10 BECDRN Cc1ccc(O)c(CNC(=O)OC2CCC2)c1 ZINC001329807212 973950634 /nfs/dbraw/zinc/95/06/34/973950634.db2.gz UHFLDYYHXCQYJK-UHFFFAOYSA-N 0 0 235.283 2.479 20 10 BECDRN Oc1cccc2c1C[N@H+](Cc1cccnc1)CC2 ZINC001204076215 974209313 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219.288 2.285 20 10 BECDRN C[C@@H]([NH2+]CC[C@H](C)O)c1ccc(Cl)cc1[O-] ZINC000841752495 587973841 /nfs/dbraw/zinc/97/38/41/587973841.db2.gz OZVOBYDZXXNQCA-DTWKUNHWSA-N 0 0 243.734 2.467 20 10 BECDRN C[C@H]([NH2+]CCCO)c1ccc(Cl)cc1[O-] ZINC000841743708 587973862 /nfs/dbraw/zinc/97/38/62/587973862.db2.gz JSDVCHLIMLGAEZ-QMMMGPOBSA-N 0 0 229.707 2.079 20 10 BECDRN C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccc(F)cc1[O-] ZINC000841757878 587974330 /nfs/dbraw/zinc/97/43/30/587974330.db2.gz BWBJEKLQUGIBIV-GMOODISLSA-N 0 0 239.290 2.095 20 10 BECDRN C[C@H]1SCC[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000844154347 588170877 /nfs/dbraw/zinc/17/08/77/588170877.db2.gz ZGQCKUGIYHFXKB-SVRRBLITSA-N 0 0 243.353 2.078 20 10 BECDRN COc1ccc(N(C)CCOCC(F)F)cc1 ZINC000844352737 588186761 /nfs/dbraw/zinc/18/67/61/588186761.db2.gz FRFQWVWKKVRPSW-UHFFFAOYSA-N 0 0 245.269 2.413 20 10 BECDRN COc1ccc(N(C)Cc2cnn(C)c2C)cc1 ZINC000844353599 588187104 /nfs/dbraw/zinc/18/71/04/588187104.db2.gz ZQFFJIYKBCQANP-UHFFFAOYSA-N 0 0 245.326 2.374 20 10 BECDRN COc1ccc(N(C)Cc2ccc(C)nn2)cc1 ZINC000845999252 588253240 /nfs/dbraw/zinc/25/32/40/588253240.db2.gz UVPLOAJAQAIVGF-UHFFFAOYSA-N 0 0 243.310 2.430 20 10 BECDRN O=C(NCc1cc(Cl)ccc1O)C1CC1 ZINC000846479074 588267267 /nfs/dbraw/zinc/26/72/67/588267267.db2.gz IDMLQABDNABANN-UHFFFAOYSA-N 0 0 225.675 2.072 20 10 BECDRN C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1ccccc1O ZINC000850546068 588559161 /nfs/dbraw/zinc/55/91/61/588559161.db2.gz JUYGTWNDJKCTLG-GDLCADMTSA-N 0 0 247.338 2.346 20 10 BECDRN C[N@H+](Cc1ccccn1)Cc1ccccc1O ZINC000109771139 588592190 /nfs/dbraw/zinc/59/21/90/588592190.db2.gz PCNRJOSPAQSUPB-UHFFFAOYSA-N 0 0 228.295 2.419 20 10 BECDRN O=C(NCC1=CCCC1)NCc1ccccc1O ZINC000852632896 588692972 /nfs/dbraw/zinc/69/29/72/588692972.db2.gz KHNFHTGBQWUDAL-UHFFFAOYSA-N 0 0 246.310 2.302 20 10 BECDRN CCCOC(=O)[C@H](C)N(C)c1ccc(N)cc1 ZINC000863558778 589299163 /nfs/dbraw/zinc/29/91/63/589299163.db2.gz XGPQAVKVYBQDQV-JTQLQIEISA-N 0 0 236.315 2.047 20 10 BECDRN C[C@H](NC(=O)NCC1CC1)c1ccccc1O ZINC000864425285 589361931 /nfs/dbraw/zinc/36/19/31/589361931.db2.gz YQNGZDRYARDGFJ-VIFPVBQESA-N 0 0 234.299 2.162 20 10 BECDRN CC(C)Cn1cc(COc2ccc(N)cc2)nn1 ZINC000864625718 589385227 /nfs/dbraw/zinc/38/52/27/589385227.db2.gz WTLBBTYFYCMBCI-UHFFFAOYSA-N 0 0 246.314 2.095 20 10 BECDRN Oc1cccc2c1CN(C(=S)NC1CCC1)C2 ZINC000865258711 589417049 /nfs/dbraw/zinc/41/70/49/589417049.db2.gz LLDGKEGNIPXYJQ-UHFFFAOYSA-N 0 0 248.351 2.135 20 10 BECDRN Oc1cccc2c1CN(c1nnc(C3CC3)o1)C2 ZINC000866117159 589477159 /nfs/dbraw/zinc/47/71/59/589477159.db2.gz HANOYOUUJMUPFE-UHFFFAOYSA-N 0 0 243.266 2.173 20 10 BECDRN O=C([C@@H]1CC12CC2)N1Cc2cccc(O)c2C1 ZINC000871206318 589741860 /nfs/dbraw/zinc/74/18/60/589741860.db2.gz ZLWFNUBYOBNRDP-NSHDSACASA-N 0 0 229.279 2.035 20 10 BECDRN O=C([C@H]1CC12CC2)N1Cc2cccc(O)c2C1 ZINC000871206317 589741878 /nfs/dbraw/zinc/74/18/78/589741878.db2.gz ZLWFNUBYOBNRDP-LLVKDONJSA-N 0 0 229.279 2.035 20 10 BECDRN O=C(CCC1CC1)N1Cc2cccc(O)c2C1 ZINC000871203121 589744588 /nfs/dbraw/zinc/74/45/88/589744588.db2.gz UCHWFHJXEPJESL-UHFFFAOYSA-N 0 0 231.295 2.425 20 10 BECDRN CO[C@@H](C)CCC(=O)N1Cc2cccc(O)c2C1 ZINC000871205410 589745150 /nfs/dbraw/zinc/74/51/50/589745150.db2.gz ZSLZHDPHDNNRFK-JTQLQIEISA-N 0 0 249.310 2.050 20 10 BECDRN CCOC(C)(C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871207322 589745688 /nfs/dbraw/zinc/74/56/88/589745688.db2.gz NDYWZWAOGSWWJE-UHFFFAOYSA-N 0 0 249.310 2.050 20 10 BECDRN CCC[C@@H](C)C(=O)NCc1ccccc1O ZINC000123575994 589755303 /nfs/dbraw/zinc/75/53/03/589755303.db2.gz NLPLQDXHHUPXCK-SNVBAGLBSA-N 0 0 221.300 2.445 20 10 BECDRN O=C(NCc1ccccc1O)N[C@@H]1CC12CCC2 ZINC000873260081 590013672 /nfs/dbraw/zinc/01/36/72/590013672.db2.gz RWBPPNYMQLODES-GFCCVEGCSA-N 0 0 246.310 2.134 20 10 BECDRN CCCN(C(=O)c1cccc(O)c1O)C(C)C ZINC000126246385 590260218 /nfs/dbraw/zinc/26/02/18/590260218.db2.gz PODJVXVYVMCNFR-UHFFFAOYSA-N 0 0 237.299 2.358 20 10 BECDRN CO[C@@H]1CC[C@H](C(=O)N(C)c2ccc(N)cc2)C1 ZINC000877074678 590278191 /nfs/dbraw/zinc/27/81/91/590278191.db2.gz PGBBAEPQYKLPQP-GXFFZTMASA-N 0 0 248.326 2.047 20 10 BECDRN CC/C=C(/F)C(=O)N(C)c1ccc(N)cc1 ZINC000877074455 590278416 /nfs/dbraw/zinc/27/84/16/590278416.db2.gz KXODWWZPOHHNFE-NYYWCZLTSA-N 0 0 222.263 2.495 20 10 BECDRN C[C@@H]1C[C@H](C)[C@@H](C(=O)N(C)c2ccc(N)cc2)O1 ZINC000877075858 590278556 /nfs/dbraw/zinc/27/85/56/590278556.db2.gz KBSFOLFPKVKUTF-CWSCBRNRSA-N 0 0 248.326 2.045 20 10 BECDRN CN(C(=O)[C@]1(C)CCCOC1)c1ccc(N)cc1 ZINC000877075816 590278658 /nfs/dbraw/zinc/27/86/58/590278658.db2.gz IHQBNCBVSIJFJD-CQSZACIVSA-N 0 0 248.326 2.048 20 10 BECDRN C[C@@H]1C[C@@H](C)[C@H](C(=O)N(C)c2ccc(N)cc2)O1 ZINC000877075859 590278705 /nfs/dbraw/zinc/27/87/05/590278705.db2.gz KBSFOLFPKVKUTF-GIPNMCIBSA-N 0 0 248.326 2.045 20 10 BECDRN CN(C(=O)C1(C)CCOCC1)c1ccc(N)cc1 ZINC000877078513 590279202 /nfs/dbraw/zinc/27/92/02/590279202.db2.gz SFNYCDKZGAOBIC-UHFFFAOYSA-N 0 0 248.326 2.048 20 10 BECDRN Cc1nnc(CNCc2ccc(C)cc2O)s1 ZINC000877186274 590298584 /nfs/dbraw/zinc/29/85/84/590298584.db2.gz YQFURGJSRASIAG-UHFFFAOYSA-N 0 0 249.339 2.150 20 10 BECDRN CCCCCCNC(=O)c1cccc(O)c1O ZINC000126431393 590302306 /nfs/dbraw/zinc/30/23/06/590302306.db2.gz TZEUAMSGKAQNTC-UHFFFAOYSA-N 0 0 237.299 2.408 20 10 BECDRN COc1ccc(O)c(CNC(=O)C2=CCCC2)c1 ZINC000126527841 590332740 /nfs/dbraw/zinc/33/27/40/590332740.db2.gz MCPDZAWEWFTJKD-UHFFFAOYSA-N 0 0 247.294 2.127 20 10 BECDRN Cc1ccc(C[N@@H+]2CCC[C@@H](CO)CC2)c(O)c1 ZINC000877554713 590357022 /nfs/dbraw/zinc/35/70/22/590357022.db2.gz LUVLYGBETRWVIG-CYBMUJFWSA-N 0 0 249.354 2.295 20 10 BECDRN Cc1cccc(O)c1C[NH2+]C[C@H](C)CCCO ZINC000877560545 590359092 /nfs/dbraw/zinc/35/90/92/590359092.db2.gz USWYNNLRFSHIEQ-LLVKDONJSA-N 0 0 237.343 2.199 20 10 BECDRN Cc1ccc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)c(O)c1 ZINC000877591607 590369330 /nfs/dbraw/zinc/36/93/30/590369330.db2.gz HCARICPRXCIELE-GXTWGEPZSA-N 0 0 249.354 2.293 20 10 BECDRN Cc1noc(CN(C)Cc2ccc(C)cc2O)n1 ZINC000877618870 590375404 /nfs/dbraw/zinc/37/54/04/590375404.db2.gz HMHIRGDPINCCPY-UHFFFAOYSA-N 0 0 247.298 2.024 20 10 BECDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C1CSC1 ZINC000877634613 590380009 /nfs/dbraw/zinc/38/00/09/590380009.db2.gz NPOGGTZTGZOKHQ-UHFFFAOYSA-N 0 0 247.722 2.390 20 10 BECDRN [O-]c1c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)ccc(F)c1F ZINC000877649618 590384548 /nfs/dbraw/zinc/38/45/48/590384548.db2.gz CJRQYZLAGDXUHE-DTORHVGOSA-N 0 0 225.238 2.122 20 10 BECDRN CO[C@@H](C[N@@H+]1Cc2cccc(O)c2C1)C1CC1 ZINC000877702901 590395764 /nfs/dbraw/zinc/39/57/64/590395764.db2.gz JJKWAQBQZPVWQD-AWEZNQCLSA-N 0 0 233.311 2.133 20 10 BECDRN Cc1ccc(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)c(O)c1 ZINC000877837212 590432722 /nfs/dbraw/zinc/43/27/22/590432722.db2.gz VTMZGXIXNLTKHH-CYBMUJFWSA-N 0 0 249.354 2.293 20 10 BECDRN CSC[C@@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000127741723 590766194 /nfs/dbraw/zinc/76/61/94/590766194.db2.gz ZGCUPGPIWJLELQ-MRVPVSSYSA-N 0 0 239.344 2.142 20 10 BECDRN CS[C@@H](C)C[NH2+]Cc1ccccc1O ZINC000128060232 590884621 /nfs/dbraw/zinc/88/46/21/590884621.db2.gz KPLSGFYOVCMJII-VIFPVBQESA-N 0 0 211.330 2.233 20 10 BECDRN C/C=C\C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000211382128 591164867 /nfs/dbraw/zinc/16/48/67/591164867.db2.gz KXCJBUOFTLOFCT-WAYWQWQTSA-N 0 0 232.327 2.287 20 10 BECDRN CO[C@H](C)[C@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883100022 591539593 /nfs/dbraw/zinc/53/95/93/591539593.db2.gz LPQNEFOQYMLFRJ-JGVFFNPUSA-N 0 0 245.269 2.183 20 10 BECDRN CC[C@@H](O)CN(C)c1ccc(OC)c(F)c1 ZINC000131429183 591608062 /nfs/dbraw/zinc/60/80/62/591608062.db2.gz UEXUWOUEEWWESD-SNVBAGLBSA-N 0 0 227.279 2.041 20 10 BECDRN CN(C)c1ccc(C=Cc2nccc(=O)[nH]2)cc1 ZINC000131800446 591659397 /nfs/dbraw/zinc/65/93/97/591659397.db2.gz ZXBHDBOGUDJNTB-VMPITWQZSA-N 0 0 241.294 2.006 20 10 BECDRN Cc1ncccc1C(=O)NCc1ccccc1O ZINC000134472229 591928655 /nfs/dbraw/zinc/92/86/55/591928655.db2.gz YMNSDMOVHPXBFW-UHFFFAOYSA-N 0 0 242.278 2.026 20 10 BECDRN CCc1cc(NCc2ccccc2O)ncn1 ZINC000134588548 591939613 /nfs/dbraw/zinc/93/96/13/591939613.db2.gz BCPDGAKGROPLFK-UHFFFAOYSA-N 0 0 229.283 2.357 20 10 BECDRN O=C(NCc1ccccc1O)c1ccsc1 ZINC000136334743 592107497 /nfs/dbraw/zinc/10/74/97/592107497.db2.gz IYPUJRANNBEKFP-UHFFFAOYSA-N 0 0 233.292 2.384 20 10 BECDRN COC[C@H](C)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886512687 592240062 /nfs/dbraw/zinc/24/00/62/592240062.db2.gz LATLAVKGPWWYCC-ZJUUUORDSA-N 0 0 241.306 2.464 20 10 BECDRN CCC[C@@H](O)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886526494 592245881 /nfs/dbraw/zinc/24/58/81/592245881.db2.gz NBQWSDOKFZJRTL-VHSXEESVSA-N 0 0 241.306 2.343 20 10 BECDRN C[C@H](CCCO)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886538484 592252178 /nfs/dbraw/zinc/25/21/78/592252178.db2.gz IYOWZMNGKKNRIA-NXEZZACHSA-N 0 0 241.306 2.343 20 10 BECDRN CO[C@H](C)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886596262 592270659 /nfs/dbraw/zinc/27/06/59/592270659.db2.gz AHIJPAZLOCUQLD-BDAKNGLRSA-N 0 0 227.279 2.217 20 10 BECDRN C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1c([O-])cccc1F ZINC000886627108 592280838 /nfs/dbraw/zinc/28/08/38/592280838.db2.gz SVBWSDBAOWHXHI-MWODSPESSA-N 0 0 239.290 2.095 20 10 BECDRN CO[C@H]1C[C@H]([NH2+][C@@H](C)c2c([O-])cccc2F)C1 ZINC000886645072 592286945 /nfs/dbraw/zinc/28/69/45/592286945.db2.gz QUYOUFGJONXASJ-GUBZILKMSA-N 0 0 239.290 2.359 20 10 BECDRN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000086757178 598153710 /nfs/dbraw/zinc/15/37/10/598153710.db2.gz DSCNWYVPSIVJEH-NSHDSACASA-N 0 0 249.310 2.079 20 10 BECDRN CC(C)[N@H+](CCC(=O)[O-])Cc1ccccc1O ZINC000086748255 604788310 /nfs/dbraw/zinc/78/83/10/604788310.db2.gz WJTYOUHQBTUCDG-UHFFFAOYSA-N 0 0 237.299 2.077 20 10 BECDRN COCc1csc(Cc2ccc(N)cc2)n1 ZINC000077253935 631284524 /nfs/dbraw/zinc/28/45/24/631284524.db2.gz WDBMZHLUWYHTFA-UHFFFAOYSA-N 0 0 234.324 2.463 20 10 BECDRN CS[C@H](C)CNC(=O)Nc1ccc(N)cc1 ZINC000122619224 632064959 /nfs/dbraw/zinc/06/49/59/632064959.db2.gz JAZOPGSOQGZGSC-MRVPVSSYSA-N 0 0 239.344 2.142 20 10 BECDRN Cn1ncnc1CSc1ncc(Cl)s1 ZINC000849999855 632589908 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ZINC000886540198 592253420 /nfs/dbraw/zinc/25/34/20/592253420.db2.gz ARJCSJAMKHOHEI-UWVGGRQHSA-N 0 0 241.306 2.343 20 10 BECDRN C[C@@H](NCc1ccc2c(c1)CCO2)c1ncc[nH]1 ZINC000138933931 592321385 /nfs/dbraw/zinc/32/13/85/592321385.db2.gz KTDNATXHQMTJGQ-SNVBAGLBSA-N 0 0 243.310 2.195 20 10 BECDRN O=C(Nc1ccnn1C1CC1)C1=CC(=O)CS1 ZINC000889686488 592644928 /nfs/dbraw/zinc/64/49/28/592644928.db2.gz XMCIAGXMFRIONG-UHFFFAOYSA-N 0 0 249.295 2.237 20 10 BECDRN C[C@@H]([NH2+]CCCCC(=O)[O-])c1ccccc1O ZINC000820142019 597733819 /nfs/dbraw/zinc/73/38/19/597733819.db2.gz MLTNZCYOGIWMEG-SNVBAGLBSA-N 0 0 237.299 2.298 20 10 BECDRN Cc1ccc(O)c(C[NH2+]CCCCC(=O)[O-])c1 ZINC000821093284 598165929 /nfs/dbraw/zinc/16/59/29/598165929.db2.gz KTWSGCIYGYIIKY-UHFFFAOYSA-N 0 0 237.299 2.045 20 10 BECDRN CN(CCCCCCO)c1ccc(N)cc1 ZINC000234289566 635550614 /nfs/dbraw/zinc/55/06/14/635550614.db2.gz SZVDFYOUMJBCFF-UHFFFAOYSA-N 0 0 222.332 2.258 20 10 BECDRN COC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000088870903 631493682 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585694571 /nfs/dbraw/zinc/69/45/71/585694571.db2.gz DLCADKYSYKLUGO-DJWKRKHSSA-N 0 0 228.631 2.007 20 10 BECDRN O=C(OCCCCCCO)C1=CC(=O)CS1 ZINC000776386893 585697169 /nfs/dbraw/zinc/69/71/69/585697169.db2.gz XDCDZSLGIKLQDJ-UHFFFAOYSA-N 0 0 244.312 2.163 20 10 BECDRN CCOc1ccc(CNc2nc(C)no2)c(O)c1 ZINC000777505141 585713719 /nfs/dbraw/zinc/71/37/19/585713719.db2.gz JVABHODTDZKSGP-UHFFFAOYSA-N 0 0 249.270 2.094 20 10 BECDRN C[C@@H]1CCN(C(=O)C2=CC(=O)CS2)C[C@@H]1F ZINC000778518319 585736469 /nfs/dbraw/zinc/73/64/69/585736469.db2.gz QOONGHLDCBCGJL-APPZFPTMSA-N 0 0 243.303 2.274 20 10 BECDRN C[C@@H](CC(=O)NCc1ccc(O)c(O)c1)C1CC1 ZINC000778926556 585742284 /nfs/dbraw/zinc/74/22/84/585742284.db2.gz WOLAPJIJBKAVQU-VIFPVBQESA-N 0 0 249.310 2.150 20 10 BECDRN CCC[C@@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000780862203 585785664 /nfs/dbraw/zinc/78/56/64/585785664.db2.gz IQJBKPFHSQDRLA-SECBINFHSA-N 0 0 237.299 2.325 20 10 BECDRN Cc1ccc(C(=O)N2CC[C@@H]2C(C)C)c(O)c1O ZINC000781018525 585788639 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ZINC000818544660 586899407 /nfs/dbraw/zinc/89/94/07/586899407.db2.gz GINILYLSHOHFQY-LLVKDONJSA-N 0 0 246.354 2.364 20 10 BECDRN CC[C@H]1C[C@@H](C(=O)Nc2ccc(N)cc2)CCO1 ZINC000818556480 586900646 /nfs/dbraw/zinc/90/06/46/586900646.db2.gz UPOLVNOVWGIUHW-GWCFXTLKSA-N 0 0 248.326 2.413 20 10 BECDRN C[C@H]1CCC[N@H+](Cc2ccccc2O)[C@H]1C(=O)[O-] ZINC000818631504 586908579 /nfs/dbraw/zinc/90/85/79/586908579.db2.gz HBQWWRXGYOXORQ-GXFFZTMASA-N 0 0 249.310 2.077 20 10 BECDRN COc1ccc2c(c1)CCN2C[C@@H](OC)C1CC1 ZINC000822723396 587182645 /nfs/dbraw/zinc/18/26/45/587182645.db2.gz VTNPKBRBAFNEBP-OAHLLOKOSA-N 0 0 247.338 2.483 20 10 BECDRN CC1(C(=O)NCc2ccc(O)cc2O)CC=CC1 ZINC000822971655 587196417 /nfs/dbraw/zinc/19/64/17/587196417.db2.gz HFXMHHGXMSORIU-UHFFFAOYSA-N 0 0 247.294 2.070 20 10 BECDRN COc1ccc2c(c1)CCCN2CC[C@H](C)O ZINC000827377819 587378783 /nfs/dbraw/zinc/37/87/83/587378783.db2.gz FWABSGIJUOAKHP-NSHDSACASA-N 0 0 235.327 2.219 20 10 BECDRN C[C@H](NC(=O)C1CCC1)c1ccccc1O ZINC000827986197 587415542 /nfs/dbraw/zinc/41/55/42/587415542.db2.gz OIERMTCIVIVSIZ-VIFPVBQESA-N 0 0 219.284 2.370 20 10 BECDRN CC[C@](C)(CC(=O)[O-])[NH2+]Cc1ccccc1O ZINC000828665472 587456044 /nfs/dbraw/zinc/45/60/44/587456044.db2.gz SQBGPLSDSOPUGL-CYBMUJFWSA-N 0 0 237.299 2.125 20 10 BECDRN CCn1nnc(C)c1CSc1nccs1 ZINC000829100157 587482761 /nfs/dbraw/zinc/48/27/61/587482761.db2.gz LRLDBONZCXIESC-UHFFFAOYSA-N 0 0 240.357 2.355 20 10 BECDRN C[C@@]1(F)CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000833056101 587698448 /nfs/dbraw/zinc/69/84/48/587698448.db2.gz HHMWHBDPNYALRD-LLVKDONJSA-N 0 0 243.303 2.418 20 10 BECDRN C[C@]1(F)CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000833056103 587698557 /nfs/dbraw/zinc/69/85/57/587698557.db2.gz HHMWHBDPNYALRD-NSHDSACASA-N 0 0 243.303 2.418 20 10 BECDRN Cc1ccc(C(=O)N2CC[C@H]2C2CC2)c(O)c1O ZINC000834319311 587751632 /nfs/dbraw/zinc/75/16/32/587751632.db2.gz XGKCQJLDRMVXLW-NSHDSACASA-N 0 0 247.294 2.031 20 10 BECDRN COC1(C)CN(Cc2ccc(N(C)C)cc2C)C1 ZINC000840945355 587931292 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247.298 2.055 20 10 BECDRN Cc1ccc(CN2CC3(C2)CCCO3)c(O)c1 ZINC000877653821 590385335 /nfs/dbraw/zinc/38/53/35/590385335.db2.gz GPBAYVSXEXCSET-UHFFFAOYSA-N 0 0 233.311 2.065 20 10 BECDRN Oc1cccc2c1CN(Cc1cscn1)C2 ZINC000877703289 590395676 /nfs/dbraw/zinc/39/56/76/590395676.db2.gz AAKPSCHLZAUABE-UHFFFAOYSA-N 0 0 232.308 2.365 20 10 BECDRN Oc1cccc2c1CN(Cc1cncs1)C2 ZINC000877702559 590395970 /nfs/dbraw/zinc/39/59/70/590395970.db2.gz BMOCLEKAWGEJME-UHFFFAOYSA-N 0 0 232.308 2.365 20 10 BECDRN CCN(CC(C)=O)c1ccc(OC)cc1 ZINC000878219728 590525686 /nfs/dbraw/zinc/52/56/86/590525686.db2.gz QZXWODSMYUYKDD-UHFFFAOYSA-N 0 0 207.273 2.111 20 10 BECDRN CCc1noc(CN[C@H](C)c2ccccc2O)n1 ZINC000879647869 590842344 /nfs/dbraw/zinc/84/23/44/590842344.db2.gz ORRIXTLHKRDMGB-SECBINFHSA-N 0 0 247.298 2.188 20 10 BECDRN Cc1cnc(CN[C@@H](C)c2ccccc2O)nc1 ZINC000879650570 590843579 /nfs/dbraw/zinc/84/35/79/590843579.db2.gz HWTQCPWPLLKIAX-NSHDSACASA-N 0 0 243.310 2.341 20 10 BECDRN Cc1cc(N(C)Cc2ccc(N(C)C)cc2)n[nH]1 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CC(C)[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)[O-] ZINC000043429652 597733268 /nfs/dbraw/zinc/73/32/68/597733268.db2.gz IBIKHMFRVVGBGW-CABZTGNLSA-N 0 0 237.299 2.152 20 10 BECDRN CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000176015032 631321011 /nfs/dbraw/zinc/32/10/11/631321011.db2.gz QJIZFDYOCNKCMT-OLZOCXBDSA-N 0 0 245.322 2.397 20 10 BECDRN CC[C@H](C)[N@H+](CC(=O)[O-])Cc1ccccc1O ZINC000086752542 631471892 /nfs/dbraw/zinc/47/18/92/631471892.db2.gz LSSJLGJGIMZPGL-JTQLQIEISA-N 0 0 237.299 2.077 20 10 BECDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000176015017 631500308 /nfs/dbraw/zinc/50/03/08/631500308.db2.gz QJIZFDYOCNKCMT-CHWSQXEVSA-N 0 0 245.322 2.397 20 10 BECDRN COc1ccc(CNCc2ccon2)cc1C ZINC000093305773 631566887 /nfs/dbraw/zinc/56/68/87/631566887.db2.gz DNKWBVSZAMEHSI-UHFFFAOYSA-N 0 0 232.283 2.281 20 10 BECDRN CN(C(=O)C[C@@H]1CCCCO1)c1ccc(N)cc1 ZINC000095030711 631584539 /nfs/dbraw/zinc/58/45/39/631584539.db2.gz KJDGMVMVXHLTMH-ZDUSSCGKSA-N 0 0 248.326 2.191 20 10 BECDRN 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CC[C@H](C[NH2+]Cc1cccc(F)c1[O-])OC ZINC000290371824 384031232 /nfs/dbraw/zinc/03/12/32/384031232.db2.gz AOTWVIIJNDFIDH-SNVBAGLBSA-N 0 0 227.279 2.046 20 10 BECDRN CN(C)c1ccc(CNCC(F)F)cc1 ZINC000147267063 384288478 /nfs/dbraw/zinc/28/84/78/384288478.db2.gz QWFUCJYJUVCLNN-UHFFFAOYSA-N 0 0 214.259 2.107 20 10 BECDRN C[C@@H](CCO)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000134922981 384400013 /nfs/dbraw/zinc/40/00/13/384400013.db2.gz VAHQCQQSSAGKRG-IUCAKERBSA-N 0 0 243.734 2.467 20 10 BECDRN C[C@H](C(=O)N(C)Cc1ccccc1O)C1CC1 ZINC000175815178 384495955 /nfs/dbraw/zinc/49/59/55/384495955.db2.gz UFRFRSRPAZYZMZ-JTQLQIEISA-N 0 0 233.311 2.397 20 10 BECDRN CC(C)[C@H]1C[C@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000184991228 384670401 /nfs/dbraw/zinc/67/04/01/384670401.db2.gz ZMJIWSXZSQZWNE-GHMZBOCLSA-N 0 0 249.310 2.006 20 10 BECDRN C[C@H]([NH2+]CC(C)(C)O)c1ccc(F)c(F)c1[O-] ZINC000187713985 384976664 /nfs/dbraw/zinc/97/66/64/384976664.db2.gz OPPZDIFGFCUKLT-ZETCQYMHSA-N 0 0 245.269 2.092 20 10 BECDRN 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/nfs/dbraw/zinc/50/15/68/350501568.db2.gz MZFOEFMYJBWLDH-SNVBAGLBSA-N 0 0 245.326 2.285 20 10 BECDRN CC1(C(=O)NCc2ccc(O)c(O)c2)CCCC1 ZINC000272344239 188026543 /nfs/dbraw/zinc/02/65/43/188026543.db2.gz PGDIWFPJUURGKD-UHFFFAOYSA-N 0 0 249.310 2.294 20 10 BECDRN CC(C)=CCCNC(=O)c1ccc(C)c(O)c1O ZINC000276707783 188029539 /nfs/dbraw/zinc/02/95/39/188029539.db2.gz PAGFVYWSSWADPY-UHFFFAOYSA-N 0 0 249.310 2.492 20 10 BECDRN CC(C)[C@H](C)C(=O)NCc1ccc(N)cc1 ZINC000069684656 188305143 /nfs/dbraw/zinc/30/51/43/188305143.db2.gz SOVGPQDUSNRYTJ-JTQLQIEISA-N 0 0 220.316 2.177 20 10 BECDRN CC(C)[C@@H]1CCCN1C(=O)Cc1ccc(N)cc1 ZINC000083936781 188317334 /nfs/dbraw/zinc/31/73/34/188317334.db2.gz BUMBFTYFDHAIMD-AWEZNQCLSA-N 0 0 246.354 2.458 20 10 BECDRN CC(C)CC(=O)N(C)c1ccc(N)cc1 ZINC000020374155 188353032 /nfs/dbraw/zinc/35/30/32/188353032.db2.gz YNYQQXSELOLKBO-UHFFFAOYSA-N 0 0 206.289 2.278 20 10 BECDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@H]1CF ZINC000293824661 188390878 /nfs/dbraw/zinc/39/08/78/188390878.db2.gz AHITWMHFNKNKBJ-JTQLQIEISA-N 0 0 227.254 2.465 20 10 BECDRN C/C=C/C[C@H](CO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296567119 353828342 /nfs/dbraw/zinc/82/83/42/353828342.db2.gz UUWYTSSIPUKGOE-XDYXTIEYSA-N 0 0 247.338 2.296 20 10 BECDRN CC[C@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000055293094 363592031 /nfs/dbraw/zinc/59/20/31/363592031.db2.gz ZSQWLONJOMNWAG-NSHDSACASA-N 0 0 234.343 2.415 20 10 BECDRN Nc1ccc(CC(=O)NC(C2CC2)C2CC2)cc1 ZINC000042372488 181703466 /nfs/dbraw/zinc/70/34/66/181703466.db2.gz PFGYIKCSOREFCU-UHFFFAOYSA-N 0 0 244.338 2.116 20 10 BECDRN Nc1ccc(CNC(=O)C[C@H]2C=CCC2)cc1 ZINC000159388850 181706191 /nfs/dbraw/zinc/70/61/91/181706191.db2.gz MJARZHPVYVRCEU-NSHDSACASA-N 0 0 230.311 2.241 20 10 BECDRN O=C(NCC1CCCCC1)c1cccc(O)c1O ZINC000072107804 182145792 /nfs/dbraw/zinc/14/57/92/182145792.db2.gz SPRQDHZLXJCZBJ-UHFFFAOYSA-N 0 0 249.310 2.408 20 10 BECDRN O=C(NCCC1=CCCC1)c1cccc(O)c1O ZINC000185885469 182151675 /nfs/dbraw/zinc/15/16/75/182151675.db2.gz WMXOEUFPFYXXNJ-UHFFFAOYSA-N 0 0 247.294 2.328 20 10 BECDRN O=C(NCc1ccc(O)c(O)c1)c1ccccc1 ZINC000082307845 182251779 /nfs/dbraw/zinc/25/17/79/182251779.db2.gz LSJYCBNGIFOQTK-UHFFFAOYSA-N 0 0 243.262 2.028 20 10 BECDRN CCCN(C(=O)Cc1ccc(N)cc1)C1CC1 ZINC000037096577 169042658 /nfs/dbraw/zinc/04/26/58/169042658.db2.gz VPGULUDAIAQAKD-UHFFFAOYSA-N 0 0 232.327 2.212 20 10 BECDRN CCCN(C)c1ccc(OCC(=O)OC)cc1 ZINC000183808198 169088806 /nfs/dbraw/zinc/08/88/06/169088806.db2.gz RMZCDJJBQMIYFG-UHFFFAOYSA-N 0 0 237.299 2.085 20 10 BECDRN Oc1ccc(Cl)cc1CN1CCO[C@H]2C[C@H]21 ZINC000366541920 183272677 /nfs/dbraw/zinc/27/26/77/183272677.db2.gz AZEUDVPOZCJLKZ-PWSUYJOCSA-N 0 0 239.702 2.019 20 10 BECDRN CCCN(CC1CC1)C(=O)Cc1ccc(N)cc1 ZINC000036195945 169135677 /nfs/dbraw/zinc/13/56/77/169135677.db2.gz INSYOAUXUCJJTB-UHFFFAOYSA-N 0 0 246.354 2.460 20 10 BECDRN CCC[N@H+](CCC(=O)[O-])Cc1ccccc1O ZINC000084857718 169139936 /nfs/dbraw/zinc/13/99/36/169139936.db2.gz XIHOQDCZIQEBBW-UHFFFAOYSA-N 0 0 237.299 2.079 20 10 BECDRN Cc1cc(CN(C)Cc2ccccc2O)no1 ZINC000111235915 383842578 /nfs/dbraw/zinc/84/25/78/383842578.db2.gz SKOCUXMPMGJWPJ-UHFFFAOYSA-N 0 0 232.283 2.321 20 10 BECDRN CCC[C@H](C)C(=O)NCCc1ccc(N)cc1 ZINC000040675665 384160163 /nfs/dbraw/zinc/16/01/63/384160163.db2.gz RGMQZQQUMQDLNR-NSHDSACASA-N 0 0 234.343 2.364 20 10 BECDRN CC(C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000092392687 384176328 /nfs/dbraw/zinc/17/63/28/384176328.db2.gz AKZBLBWXLIFNLC-JOYOIKCWSA-N 0 0 241.306 2.199 20 10 BECDRN C[C@@H](O)CC[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000132509803 384234934 /nfs/dbraw/zinc/23/49/34/384234934.db2.gz BAOFZGVHZKJJFP-SECBINFHSA-N 0 0 243.734 2.248 20 10 BECDRN C[C@H](CCO)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000134923044 384399993 /nfs/dbraw/zinc/39/99/93/384399993.db2.gz VAHQCQQSSAGKRG-RKDXNWHRSA-N 0 0 243.734 2.467 20 10 BECDRN Cc1cnc(CN(C)c2ccc3c(c2)OCO3)o1 ZINC000121424783 384417489 /nfs/dbraw/zinc/41/74/89/384417489.db2.gz FVZOYHNPVPOZBQ-UHFFFAOYSA-N 0 0 246.266 2.348 20 10 BECDRN C[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000097439698 384520838 /nfs/dbraw/zinc/52/08/38/384520838.db2.gz ANJCELGHYRNSGT-UWVGGRQHSA-N 0 0 241.306 2.200 20 10 BECDRN Nc1ccc(CC(=O)N2C[C@@H]3CCC[C@H]3C2)cc1 ZINC000123061552 384532539 /nfs/dbraw/zinc/53/25/39/384532539.db2.gz LVKPXQGEFXRUIB-STQMWFEESA-N 0 0 244.338 2.070 20 10 BECDRN Cc1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)c(O)c1 ZINC000020091837 384574382 /nfs/dbraw/zinc/57/43/82/384574382.db2.gz OXTLMHXJQZFOEY-GFCCVEGCSA-N 0 0 236.359 2.303 20 10 BECDRN C[C@H]1OCC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162873532 384701035 /nfs/dbraw/zinc/70/10/35/384701035.db2.gz YBCJXDJPDBXJNF-KCJUWKMLSA-N 0 0 241.718 2.313 20 10 BECDRN CO[C@H](C)[C@@H](C)[NH2+]Cc1cccc(F)c1[O-] ZINC000290790960 384766325 /nfs/dbraw/zinc/76/63/25/384766325.db2.gz DORYLGMJTANWPI-RKDXNWHRSA-N 0 0 227.279 2.044 20 10 BECDRN CC(C)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000086164427 384995769 /nfs/dbraw/zinc/99/57/69/384995769.db2.gz LDAPPZWYQJGUND-UHFFFAOYSA-N 0 0 249.358 2.302 20 10 BECDRN CN(CC[C@H]1CCCO1)c1ccc2c(c1)OCO2 ZINC000189760707 385185135 /nfs/dbraw/zinc/18/51/35/385185135.db2.gz JZMXTJFEAWZACC-GFCCVEGCSA-N 0 0 249.310 2.421 20 10 BECDRN C[C@@H]([NH2+]C[C@H](C)N(C)C)c1ccc(F)cc1[O-] ZINC000062747899 385186330 /nfs/dbraw/zinc/18/63/30/385186330.db2.gz OPAHZPAKNZIYIE-VHSXEESVSA-N 0 0 240.322 2.132 20 10 BECDRN C[C@H]([NH2+]C[C@H](C)N(C)C)c1ccc(F)cc1[O-] ZINC000062747897 385186487 /nfs/dbraw/zinc/18/64/87/385186487.db2.gz OPAHZPAKNZIYIE-UWVGGRQHSA-N 0 0 240.322 2.132 20 10 BECDRN Cc1ccc(C(=O)NC2CCCCC2)c(O)c1O ZINC000177658727 385268846 /nfs/dbraw/zinc/26/88/46/385268846.db2.gz PNQGWHIZBZIOAP-UHFFFAOYSA-N 0 0 249.310 2.469 20 10 BECDRN CCCCCNC(=O)c1ccc(C)c(O)c1O ZINC000177658353 385268916 /nfs/dbraw/zinc/26/89/16/385268916.db2.gz AMBBPLQEFJDMKE-UHFFFAOYSA-N 0 0 237.299 2.326 20 10 BECDRN CC(C)C1(CNC(=O)c2cccc(O)c2O)CC1 ZINC000193130512 385385571 /nfs/dbraw/zinc/38/55/71/385385571.db2.gz LSHBOCFVUQPZEL-UHFFFAOYSA-N 0 0 249.310 2.264 20 10 BECDRN CCN(C(=O)c1ccc(C)c(O)c1O)C1CC1 ZINC000179478272 385469762 /nfs/dbraw/zinc/46/97/62/385469762.db2.gz QSXUEVPPJLVIMT-UHFFFAOYSA-N 0 0 235.283 2.031 20 10 BECDRN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000180627049 385534241 /nfs/dbraw/zinc/53/42/41/385534241.db2.gz UQZXTOSTANPHMN-HMVTZJNGSA-N 0 0 247.294 2.026 20 10 BECDRN Cc1ccc(C(=O)NCC2(C)CCC2)c(O)c1O ZINC000182567762 385683941 /nfs/dbraw/zinc/68/39/41/385683941.db2.gz JWVZNVMXOFJOGH-UHFFFAOYSA-N 0 0 249.310 2.326 20 10 BECDRN CC(C)=CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183444039 385762884 /nfs/dbraw/zinc/76/28/84/385762884.db2.gz XUHHJAJUKIDWSE-JTQLQIEISA-N 0 0 249.310 2.111 20 10 BECDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CC1(F)F ZINC000294721140 385887240 /nfs/dbraw/zinc/88/72/40/385887240.db2.gz AWWWZRCTLOTUNA-VIFPVBQESA-N 0 0 241.237 2.006 20 10 BECDRN CN(C)c1ccc(CNc2ccon2)cc1 ZINC000083348988 385902246 /nfs/dbraw/zinc/90/22/46/385902246.db2.gz RACPDTSORRYTCR-UHFFFAOYSA-N 0 0 217.272 2.353 20 10 BECDRN CCOCCSc1ncc(C(=O)OC)s1 ZINC000295377405 386021141 /nfs/dbraw/zinc/02/11/41/386021141.db2.gz SVXFIVUWEXYDHY-UHFFFAOYSA-N 0 0 247.341 2.058 20 10 BECDRN Cc1nccc(N(C)Cc2ccccc2O)n1 ZINC000131413051 386207719 /nfs/dbraw/zinc/20/77/19/386207719.db2.gz KRFZXKZJTMDMSS-UHFFFAOYSA-N 0 0 229.283 2.127 20 10 BECDRN CN(C)c1ccc(CNc2cnccn2)cc1F ZINC000301126311 386818396 /nfs/dbraw/zinc/81/83/96/386818396.db2.gz UGJDHWFEJWWCLD-UHFFFAOYSA-N 0 0 246.289 2.294 20 10 BECDRN c1csc(SCCc2cn[nH]c2)n1 ZINC000287559004 387458522 /nfs/dbraw/zinc/45/85/22/387458522.db2.gz OWWNKDSPJOGFGG-UHFFFAOYSA-N 0 0 211.315 2.201 20 10 BECDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1ccccc1O ZINC000527803641 387726087 /nfs/dbraw/zinc/72/60/87/387726087.db2.gz HULHIWYVYBFMTK-DEKYYXRVSA-N 0 0 235.327 2.294 20 10 BECDRN CC(C)[C@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000168775216 387801293 /nfs/dbraw/zinc/80/12/93/387801293.db2.gz CJIZHXASSOJQQW-TVQRCGJNSA-N 0 0 241.306 2.199 20 10 BECDRN Nc1ccc(NC(=O)CCC2CC2)cc1 ZINC000238133778 388400541 /nfs/dbraw/zinc/40/05/41/388400541.db2.gz LDHUQKOYXDYPSW-UHFFFAOYSA-N 0 0 204.273 2.398 20 10 BECDRN C[C@@H]1[C@@H](C(=O)NCc2ccccc2O)[C@@H]1C1CC1 ZINC000528854208 388579704 /nfs/dbraw/zinc/57/97/04/388579704.db2.gz IVIUHIAXVUUHFX-QCZZGDTMSA-N 0 0 245.322 2.301 20 10 BECDRN C[C@@H](Nc1cc(F)ncn1)c1ccccc1O ZINC001651334052 1172944231 /nfs/dbraw/zinc/94/42/31/1172944231.db2.gz PRGHKIZFODFLJV-MRVPVSSYSA-N 0 0 233.246 2.494 20 10 BECDRN CC(C)CCC(=O)NCc1ccccc1O ZINC000072051908 166794433 /nfs/dbraw/zinc/79/44/33/166794433.db2.gz UYOPHQOOJOKREC-UHFFFAOYSA-N 0 0 221.300 2.445 20 10 BECDRN CC(C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000048644789 167068158 /nfs/dbraw/zinc/06/81/58/167068158.db2.gz JDHLVQUOIHRXQD-UHFFFAOYSA-N 0 0 249.358 2.302 20 10 BECDRN CC(C)[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180618627 167370671 /nfs/dbraw/zinc/37/06/71/167370671.db2.gz GQTJSCBYBAUBAG-BREXMAIKSA-N 0 0 249.310 2.272 20 10 BECDRN CCC(=CC(=O)NCc1ccc(O)c(O)c1)CC ZINC000182537568 168194282 /nfs/dbraw/zinc/19/42/82/168194282.db2.gz IXJILOLGRAVHLI-UHFFFAOYSA-N 0 0 249.310 2.460 20 10 BECDRN CC[C@@](C)(O)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162826924 171184762 /nfs/dbraw/zinc/18/47/62/171184762.db2.gz OXJZLJHZBUUVEY-GFCCVEGCSA-N 0 0 243.734 2.296 20 10 BECDRN CCc1nn(C)cc1NCc1cc(F)ccc1O ZINC000226618738 172042660 /nfs/dbraw/zinc/04/26/60/172042660.db2.gz DECRABXYYYLXET-UHFFFAOYSA-N 0 0 249.289 2.439 20 10 BECDRN CCc1nn(C)cc1NCc1cccc(F)c1O ZINC000226618744 172042880 /nfs/dbraw/zinc/04/28/80/172042880.db2.gz IPRDBEVLESKFDB-UHFFFAOYSA-N 0 0 249.289 2.439 20 10 BECDRN CN(C(=O)C(C)(C)C)c1ccc(N)cc1 ZINC000034939064 172295119 /nfs/dbraw/zinc/29/51/19/172295119.db2.gz IJRFCYFRXHNQGD-UHFFFAOYSA-N 0 0 206.289 2.278 20 10 BECDRN CN(Cc1ccccc1O)c1ncncc1Cl ZINC000302602351 172877449 /nfs/dbraw/zinc/87/74/49/172877449.db2.gz 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/nfs/dbraw/zinc/83/19/57/585831957.db2.gz XFSKJLRHXCFQFL-KCJUWKMLSA-N 0 0 236.271 2.189 20 10 BECDRN COCC[C@H](C)OC(=O)C1=CC(=O)CS1 ZINC000783608786 585838215 /nfs/dbraw/zinc/83/82/15/585838215.db2.gz RSGJGCWXAGVQAB-ZETCQYMHSA-N 0 0 230.285 2.036 20 10 BECDRN CC1(C)OC[C@@H](CSc2nccs2)O1 ZINC000785037484 585869524 /nfs/dbraw/zinc/86/95/24/585869524.db2.gz VPUFOIMMPMOGLI-ZETCQYMHSA-N 0 0 231.342 2.387 20 10 BECDRN CO[C@@H](C)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000785573081 585875855 /nfs/dbraw/zinc/87/58/55/585875855.db2.gz MTMSXHCGTWMDQV-JGVFFNPUSA-N 0 0 245.269 2.356 20 10 BECDRN COc1cnc(NCc2cc(C)ccc2O)nc1 ZINC000788868452 585931578 /nfs/dbraw/zinc/93/15/78/585931578.db2.gz ZPQYHUIBGZEVGM-UHFFFAOYSA-N 0 0 245.282 2.111 20 10 BECDRN C[C@@H]1C[C@H](C)N1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000792535935 586002240 /nfs/dbraw/zinc/00/22/40/586002240.db2.gz XUJZSOYMWBSQTQ-LECIECGFSA-N 0 0 247.294 2.120 20 10 BECDRN CC[C@H]([NH2+][C@@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000796842330 586114692 /nfs/dbraw/zinc/11/46/92/586114692.db2.gz YTDVZGTUOQQYBX-PWSUYJOCSA-N 0 0 239.290 2.361 20 10 BECDRN CN(C)c1ccc(CN2CCOCC23CC3)cc1 ZINC000801979469 586284309 /nfs/dbraw/zinc/28/43/09/586284309.db2.gz BNRYOMKOWNEZQD-UHFFFAOYSA-N 0 0 246.354 2.117 20 10 BECDRN C[C@@H]1C[C@@H]1COC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000859600965 589048361 /nfs/dbraw/zinc/04/83/61/589048361.db2.gz OAVYCATZKQKUQS-VVCGMDSISA-N 0 0 248.278 2.310 20 10 BECDRN CC(=O)C(=O)COc1cccc(Cl)c1F ZINC000808034531 586460134 /nfs/dbraw/zinc/46/01/34/586460134.db2.gz VZCBWLKRPISMTO-UHFFFAOYSA-N 0 0 230.622 2.016 20 10 BECDRN CC(=O)C(=O)COC(=O)CCC1CCCCC1 ZINC000808486067 586475983 /nfs/dbraw/zinc/47/59/83/586475983.db2.gz FNUIIWCXMBFDCR-UHFFFAOYSA-N 0 0 240.299 2.048 20 10 BECDRN CC(=O)C(=O)COC(=O)[C@H](C)CCC(C)(C)C ZINC000808536241 586478327 /nfs/dbraw/zinc/47/83/27/586478327.db2.gz FQJXFHGXORXEFV-SECBINFHSA-N 0 0 242.315 2.150 20 10 BECDRN Cc1cc(COc2ccc(N(C)C)cc2)nn1C ZINC000810000833 586530577 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586851511 /nfs/dbraw/zinc/85/15/11/586851511.db2.gz YACWCRCXHKCWKZ-QWHCGFSZSA-N 0 0 248.370 2.343 20 10 BECDRN CC(C)C[C@@H](CN)[NH2+][C@@H](C)c1ccccc1O ZINC000817960124 586851622 /nfs/dbraw/zinc/85/16/22/586851622.db2.gz XOJFIKRUEDASRI-RYUDHWBXSA-N 0 0 236.359 2.416 20 10 BECDRN CC[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(F)cc1[O-] ZINC000818357657 586889221 /nfs/dbraw/zinc/88/92/21/586889221.db2.gz DTSXPLSRWLUBOG-IJLUTSLNSA-N 0 0 239.290 2.095 20 10 BECDRN C[C@@H]1C[C@H](C(=O)Nc2ccc(N)cc2)CCO1 ZINC000818556306 586900155 /nfs/dbraw/zinc/90/01/55/586900155.db2.gz KIQSCPSWSSFAJD-NXEZZACHSA-N 0 0 234.299 2.022 20 10 BECDRN CC1(C(=O)Nc2ccc(N)cc2)CCOCC1 ZINC000818556132 586900237 /nfs/dbraw/zinc/90/02/37/586900237.db2.gz VBZPVMHUYORSFX-UHFFFAOYSA-N 0 0 234.299 2.024 20 10 BECDRN CN(Cc1ccccc1O)C(=O)C12CC(C1)C2 ZINC000860047493 589077026 /nfs/dbraw/zinc/07/70/26/589077026.db2.gz FOQQMBBPLAHMBB-UHFFFAOYSA-N 0 0 231.295 2.151 20 10 BECDRN C[C@@H](O)CNc1ccccc1OCC1CC1 ZINC000819451556 586965571 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235.255 2.227 20 10 BECDRN CC1=C(C(=O)NCc2ccc(N)cc2)CCC1 ZINC000837302862 587864665 /nfs/dbraw/zinc/86/46/65/587864665.db2.gz KEZKPMXLOVZEHI-UHFFFAOYSA-N 0 0 230.311 2.385 20 10 BECDRN C[C@@H](C(=O)NCc1ccc(O)c(O)c1)C1CCC1 ZINC000837484684 587876773 /nfs/dbraw/zinc/87/67/73/587876773.db2.gz JFRFTWDFZURYAS-SECBINFHSA-N 0 0 249.310 2.150 20 10 BECDRN CCn1ccc(C[NH2+]Cc2cc(F)ccc2O)n1 ZINC000840954714 587931866 /nfs/dbraw/zinc/93/18/66/587931866.db2.gz IXZHMBREROBKSV-UHFFFAOYSA-N 0 0 249.289 2.038 20 10 BECDRN C[C@H](CN)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841060160 587941806 /nfs/dbraw/zinc/94/18/06/587941806.db2.gz RNNALCYEQYJBHA-ZCFIWIBFSA-N 0 0 249.141 2.136 20 10 BECDRN C[C@@H]([NH2+]CCCCO)c1ccc(Cl)cc1[O-] ZINC000841751908 587973469 /nfs/dbraw/zinc/97/34/69/587973469.db2.gz LIYHURUGIXJLFT-SECBINFHSA-N 0 0 243.734 2.469 20 10 BECDRN C[C@H]([NH2+]CCCCO)c1ccc(Cl)cc1[O-] ZINC000841751910 587973838 /nfs/dbraw/zinc/97/38/38/587973838.db2.gz LIYHURUGIXJLFT-VIFPVBQESA-N 0 0 243.734 2.469 20 10 BECDRN CC(C)=CCNC(=O)NCCc1ccc(N)cc1 ZINC000841885659 587980952 /nfs/dbraw/zinc/98/09/52/587980952.db2.gz IPKKWXJGBDSZGL-UHFFFAOYSA-N 0 0 247.342 2.077 20 10 BECDRN C[C@H]1CCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841958790 587986702 /nfs/dbraw/zinc/98/67/02/587986702.db2.gz SVPJXKWTKXWIBQ-NSHDSACASA-N 0 0 247.342 2.005 20 10 BECDRN C[C@@H](O)CCOc1ccc(N2CCCC2)cc1 ZINC000842033916 587991739 /nfs/dbraw/zinc/99/17/39/587991739.db2.gz HUUFABXHKMQQLX-GFCCVEGCSA-N 0 0 235.327 2.437 20 10 BECDRN COc1ccc(N2CC[C@@H](COC(C)=O)C2)cc1 ZINC000842881079 588071208 /nfs/dbraw/zinc/07/12/08/588071208.db2.gz IOIGRZGRJDVKBK-GFCCVEGCSA-N 0 0 249.310 2.085 20 10 BECDRN Nc1ccc(Cc2noc(C3CC3)n2)cc1 ZINC000843164345 588088764 /nfs/dbraw/zinc/08/87/64/588088764.db2.gz TUZYSUOERSULPR-UHFFFAOYSA-N 0 0 215.256 2.120 20 10 BECDRN C[C@@H](CNC(=O)C1=CC(=O)CS1)CC(F)F ZINC000844146554 588170597 /nfs/dbraw/zinc/17/05/97/588170597.db2.gz GENDVOGQJUDIMR-ZCFIWIBFSA-N 0 0 249.282 2.475 20 10 BECDRN COc1ccc(N(C)Cc2nnc(C)s2)cc1 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Cc1cccc(O)c1C[NH2+]C[C@H](C)C[C@H](C)O ZINC000877058404 590276317 /nfs/dbraw/zinc/27/63/17/590276317.db2.gz IDPCPWBKKIRAAA-PWSUYJOCSA-N 0 0 237.343 2.197 20 10 BECDRN Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)c(O)c1 ZINC000877058679 590276467 /nfs/dbraw/zinc/27/64/67/590276467.db2.gz LCXCWFLGAZWVNL-OCCSQVGLSA-N 0 0 249.354 2.341 20 10 BECDRN C[C@H]1C[C@H](C(=O)N(C)c2ccc(N)cc2)CCO1 ZINC000877075842 590278855 /nfs/dbraw/zinc/27/88/55/590278855.db2.gz JLILRIWRARKWJC-WDEREUQCSA-N 0 0 248.326 2.047 20 10 BECDRN COCCCCC(=O)N(C)c1ccc(N)cc1 ZINC000877078250 590279235 /nfs/dbraw/zinc/27/92/35/590279235.db2.gz JKMCQGXVJVXZCO-UHFFFAOYSA-N 0 0 236.315 2.048 20 10 BECDRN CN(C(=O)/C=C\C1CC1)c1ccc(N)cc1 ZINC000877078591 590279289 /nfs/dbraw/zinc/27/92/89/590279289.db2.gz VZQONPBSRTYLJE-WTKPLQERSA-N 0 0 216.284 2.198 20 10 BECDRN CC(C)N(CC1CC1)C(=O)c1cccc(O)c1O ZINC000126336057 590282049 /nfs/dbraw/zinc/28/20/49/590282049.db2.gz LBIPZNHPWKVUBD-UHFFFAOYSA-N 0 0 249.310 2.358 20 10 BECDRN CN(CCC[C@@H]1CCO1)c1ccc2c(c1)OCO2 ZINC000877179684 590298212 /nfs/dbraw/zinc/29/82/12/590298212.db2.gz GWVDOIDCBOKIRA-GFCCVEGCSA-N 0 0 249.310 2.421 20 10 BECDRN Cc1cc(NC(=O)c2cccc(O)c2O)ccn1 ZINC000126473500 590316032 /nfs/dbraw/zinc/31/60/32/590316032.db2.gz AXRACECIYKZLST-UHFFFAOYSA-N 0 0 244.250 2.054 20 10 BECDRN Cc1noc([C@@H](C)NCc2c(C)cccc2O)n1 ZINC000877470615 590334608 /nfs/dbraw/zinc/33/46/08/590334608.db2.gz KYHGRLUEDHCPCQ-SECBINFHSA-N 0 0 247.298 2.243 20 10 BECDRN Cc1ccc(C[N@H+]2CCC[C@H](CO)[C@H]2C)c(O)c1 ZINC000877591610 590369251 /nfs/dbraw/zinc/36/92/51/590369251.db2.gz HCARICPRXCIELE-TZMCWYRMSA-N 0 0 249.354 2.293 20 10 BECDRN Cc1ccc(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)c(O)c1 ZINC000877631939 590378411 /nfs/dbraw/zinc/37/84/11/590378411.db2.gz WTEHUDNVKPKOPF-DZGCQCFKSA-N 0 0 247.338 2.169 20 10 BECDRN C[C@H]1OCC[C@H]1CN(C)c1ccc2c(c1)OCO2 ZINC000878302760 590538717 /nfs/dbraw/zinc/53/87/17/590538717.db2.gz WOQVJVPLDVZDAF-MNOVXSKESA-N 0 0 249.310 2.277 20 10 BECDRN Cc1nnc([C@H](C)N[C@H](C)c2ccccc2O)o1 ZINC000879649154 590842053 /nfs/dbraw/zinc/84/20/53/590842053.db2.gz MXRQGGXYAKRXST-BDAKNGLRSA-N 0 0 247.298 2.495 20 10 BECDRN Cn1cnc(CSc2nccs2)c1 ZINC000882109482 591299255 /nfs/dbraw/zinc/29/92/55/591299255.db2.gz JOZPZVLZFXYQDB-UHFFFAOYSA-N 0 0 211.315 2.169 20 10 BECDRN O=C(CCc1ccco1)NCc1ccccc1O ZINC000133764274 591855373 /nfs/dbraw/zinc/85/53/73/591855373.db2.gz ZTGMMWUJWBUJRO-UHFFFAOYSA-N 0 0 245.278 2.234 20 10 BECDRN O=C(NC[C@]12C[C@H]1CCC2)C1=CC(=O)CS1 ZINC000885995150 592124771 /nfs/dbraw/zinc/12/47/71/592124771.db2.gz JDVNMGGWONYVMI-PELKAZGASA-N 0 0 237.324 2.374 20 10 BECDRN C[C@@H](NCc1cc[nH]n1)c1c(O)cccc1F ZINC000886524879 592245616 /nfs/dbraw/zinc/24/56/16/592245616.db2.gz SRJPDPKHOQRGDH-MRVPVSSYSA-N 0 0 235.262 2.105 20 10 BECDRN C[C@@H]([NH2+]C[C@@H](C)CCO)c1c([O-])cccc1F ZINC000886535199 592250212 /nfs/dbraw/zinc/25/02/12/592250212.db2.gz WLNAKJPLQDURAC-VHSXEESVSA-N 0 0 241.306 2.200 20 10 BECDRN C[C@@H](NCc1cocn1)c1c(O)cccc1F ZINC000886573912 592265106 /nfs/dbraw/zinc/26/51/06/592265106.db2.gz CDKMKSXCTOWZMD-MRVPVSSYSA-N 0 0 236.246 2.370 20 10 BECDRN CO[C@H](C)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886596265 592270448 /nfs/dbraw/zinc/27/04/48/592270448.db2.gz AHIJPAZLOCUQLD-RKDXNWHRSA-N 0 0 227.279 2.217 20 10 BECDRN C[C@@H](O)CCC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886603389 592272295 /nfs/dbraw/zinc/27/22/95/592272295.db2.gz MXUKHQQVTSMERK-NXEZZACHSA-N 0 0 241.306 2.343 20 10 BECDRN O=C(C1=CC(=O)CS1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000890271957 592275640 /nfs/dbraw/zinc/27/56/40/592275640.db2.gz VITQDRVPUOTZCX-DTORHVGOSA-N 0 0 237.324 2.326 20 10 BECDRN C[C@H]([NH2+]CCOCCF)c1c([O-])cccc1F ZINC000886640078 592285529 /nfs/dbraw/zinc/28/55/29/592285529.db2.gz QVNNDVBFWXWHEL-VIFPVBQESA-N 0 0 245.269 2.168 20 10 BECDRN CO[C@H]1C[C@H]([NH2+][C@H](C)c2c([O-])cccc2F)C1 ZINC000886645073 592287271 /nfs/dbraw/zinc/28/72/71/592287271.db2.gz QUYOUFGJONXASJ-OPRDCNLKSA-N 0 0 239.290 2.359 20 10 BECDRN O=C(N[C@]12C[C@H]1CCC2)C1=CC(=O)CS1 ZINC000887033877 592426911 /nfs/dbraw/zinc/42/69/11/592426911.db2.gz VLFLBMPKGCDMBG-RDDDGLTNSA-N 0 0 223.297 2.126 20 10 BECDRN CC(C)[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)[O-] ZINC000043429655 597733108 /nfs/dbraw/zinc/73/31/08/597733108.db2.gz IBIKHMFRVVGBGW-BXKDBHETSA-N 0 0 237.299 2.152 20 10 BECDRN CCOC(=O)CSc1ncc(Cl)s1 ZINC000308326743 631290916 /nfs/dbraw/zinc/29/09/16/631290916.db2.gz FWMKFKZUXUXLKC-UHFFFAOYSA-N 0 0 237.733 2.452 20 10 BECDRN O=C(CSc1nccs1)c1ccc[nH]1 ZINC000040677259 631426597 /nfs/dbraw/zinc/42/65/97/631426597.db2.gz NPFMJBRDRWXTDG-UHFFFAOYSA-N 0 0 224.310 2.446 20 10 BECDRN Oc1cccc(Cl)c1CNc1nnco1 ZINC000308908574 632397025 /nfs/dbraw/zinc/39/70/25/632397025.db2.gz FKUZEKYFXWRMJQ-UHFFFAOYSA-N 0 0 225.635 2.041 20 10 BECDRN Cc1ccc(C(=O)N(C)[C@@H](C)C2CC2)c(O)c1O ZINC000179426412 632713177 /nfs/dbraw/zinc/71/31/77/632713177.db2.gz ZDNLHUCFJDNBNK-VIFPVBQESA-N 0 0 249.310 2.277 20 10 BECDRN Cc1cc(C(=O)NCc2ccccc2O)ccn1 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C[C@@H]([NH2+]C[C@@H](C)CCCO)c1ccccc1O ZINC000296627295 136375960 /nfs/dbraw/zinc/37/59/60/136375960.db2.gz XEECLVNIWURAAT-NWDGAFQWSA-N 0 0 237.343 2.451 20 10 BECDRN CCC[N@@H+](Cc1ccccc1O)C[C@H](O)CC ZINC000076073924 344793978 /nfs/dbraw/zinc/79/39/78/344793978.db2.gz ZDGHRZKKYYOKKC-CYBMUJFWSA-N 0 0 237.343 2.375 20 10 BECDRN Cc1cc(N(C)Cc2ccccc2O)ncn1 ZINC000089635492 345557498 /nfs/dbraw/zinc/55/74/98/345557498.db2.gz FAKLZXHXHLLVLB-UHFFFAOYSA-N 0 0 229.283 2.127 20 10 BECDRN Cc1cccc(CNCC(F)F)c1O ZINC000159153877 179091168 /nfs/dbraw/zinc/09/11/68/179091168.db2.gz GSHXKABKRVPMHZ-UHFFFAOYSA-N 0 0 201.216 2.055 20 10 BECDRN CC[C@@H](O)CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162709069 346535341 /nfs/dbraw/zinc/53/53/41/346535341.db2.gz ODSOXSPLKALLMI-SNVBAGLBSA-N 0 0 243.734 2.296 20 10 BECDRN CC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000168825095 346744628 /nfs/dbraw/zinc/74/46/28/346744628.db2.gz PEQKZUCTEPAWPI-GXSJLCMTSA-N 0 0 241.306 2.343 20 10 BECDRN Cc1cccnc1NC(=O)Cc1ccc(N)cc1 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[O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H](O)C1 ZINC000132481044 384234346 /nfs/dbraw/zinc/23/43/46/384234346.db2.gz JYCIRLIOAGJPOB-SNVBAGLBSA-N 0 0 241.718 2.002 20 10 BECDRN Cc1cnc(CN(C)Cc2ccccc2O)o1 ZINC000072629589 384228294 /nfs/dbraw/zinc/22/82/94/384228294.db2.gz VKGADXWMCIKCHI-UHFFFAOYSA-N 0 0 232.283 2.321 20 10 BECDRN Nc1ccc(CNC(=O)CCC2CC2)cc1 ZINC000297134195 384262376 /nfs/dbraw/zinc/26/23/76/384262376.db2.gz HQALIPNRLXTULQ-UHFFFAOYSA-N 0 0 218.300 2.075 20 10 BECDRN CC(C)CCC(=O)NCc1ccc(O)c(O)c1 ZINC000159007362 384295068 /nfs/dbraw/zinc/29/50/68/384295068.db2.gz TXBAGKIGCGQZBU-UHFFFAOYSA-N 0 0 237.299 2.150 20 10 BECDRN Nc1ccc(CNC(=O)[C@H]2CC=CCC2)cc1 ZINC000159395112 384329026 /nfs/dbraw/zinc/32/90/26/384329026.db2.gz WHTZDQSFBQRAET-LBPRGKRZSA-N 0 0 230.311 2.241 20 10 BECDRN CN(Cc1ccon1)c1ccc2c(c1)OCO2 ZINC000121323936 384409535 /nfs/dbraw/zinc/40/95/35/384409535.db2.gz PAIBUHWMGXYCOZ-UHFFFAOYSA-N 0 0 232.239 2.040 20 10 BECDRN CC[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000135288536 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BECDRN CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000134900262 169276429 /nfs/dbraw/zinc/27/64/29/169276429.db2.gz USDCCSOBJULYCL-QMMMGPOBSA-N 0 0 224.260 2.361 20 10 BECDRN CCCSCC(=O)NCc1ccccc1O ZINC000299463008 169337582 /nfs/dbraw/zinc/33/75/82/169337582.db2.gz CLHMUJWJOBIWPG-UHFFFAOYSA-N 0 0 239.340 2.152 20 10 BECDRN O=C(NCc1cc(O)ccc1O)C1CCCCC1 ZINC001644752720 1172604164 /nfs/dbraw/zinc/60/41/64/1172604164.db2.gz RCZCOOXBBDYECW-UHFFFAOYSA-N 0 0 249.310 2.294 20 10 BECDRN CC(C)[C@H](C)C(=O)Nc1ccc(N)cc1 ZINC000069684575 383837193 /nfs/dbraw/zinc/83/71/93/383837193.db2.gz REJTXMNIUSHWGY-VIFPVBQESA-N 0 0 206.289 2.499 20 10 BECDRN C[C@H]([NH2+]C[C@H]1CCOC1)c1ccccc1O ZINC000037738244 384002680 /nfs/dbraw/zinc/00/26/80/384002680.db2.gz CERLPWLUEVSMQV-WDEREUQCSA-N 0 0 221.300 2.079 20 10 BECDRN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCOC2)c(O)c1 ZINC000037738307 384002967 /nfs/dbraw/zinc/00/29/67/384002967.db2.gz XXDJJSLLWFPMSY-RYUDHWBXSA-N 0 0 235.327 2.388 20 10 BECDRN C[C@H](CCCO)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000094942441 384319579 /nfs/dbraw/zinc/31/95/79/384319579.db2.gz LUXINIGDVLLSIL-NXEZZACHSA-N 0 0 241.306 2.343 20 10 BECDRN CCN(CC)C(=O)CSc1nccs1 ZINC000097335829 384511975 /nfs/dbraw/zinc/51/19/75/384511975.db2.gz ZSKYOPACMWYBDP-UHFFFAOYSA-N 0 0 230.358 2.104 20 10 BECDRN C[C@H](CCO)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000097439701 384520069 /nfs/dbraw/zinc/52/00/69/384520069.db2.gz ANJCELGHYRNSGT-NXEZZACHSA-N 0 0 241.306 2.200 20 10 BECDRN C[C@]1([NH2+]Cc2cccc(Cl)c2[O-])CCOC1 ZINC000162717235 384673088 /nfs/dbraw/zinc/67/30/88/384673088.db2.gz BIBATFCFONGLKO-LBPRGKRZSA-N 0 0 241.718 2.314 20 10 BECDRN CCC[C@H]1C[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000162611988 384652110 /nfs/dbraw/zinc/65/21/10/384652110.db2.gz YVWPBVCNSMUYFZ-AAEUAGOBSA-N 0 0 232.327 2.116 20 10 BECDRN CC(C)[C@@H](O)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162630028 384655353 /nfs/dbraw/zinc/65/53/53/384655353.db2.gz SZZMPOJUEDYUOA-NSHDSACASA-N 0 0 243.734 2.152 20 10 BECDRN C[C@H]1OCC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162873319 384700437 /nfs/dbraw/zinc/70/04/37/384700437.db2.gz YBCJXDJPDBXJNF-LDYMZIIASA-N 0 0 241.718 2.313 20 10 BECDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCCOC1 ZINC000162860351 384700753 /nfs/dbraw/zinc/70/07/53/384700753.db2.gz SXLQQJBLHJBYAR-SNVBAGLBSA-N 0 0 241.718 2.314 20 10 BECDRN Cc1cccc(CNc2cnn(C)c2)c1O ZINC000162859464 384701145 /nfs/dbraw/zinc/70/11/45/384701145.db2.gz QJCJKAPCIMFRKY-UHFFFAOYSA-N 0 0 217.272 2.046 20 10 BECDRN CN(C)c1ccc(CNc2nncs2)cc1 ZINC000083361126 384765559 /nfs/dbraw/zinc/76/55/59/384765559.db2.gz FQXQLBOBCKEAQX-UHFFFAOYSA-N 0 0 234.328 2.216 20 10 BECDRN O=C(NC(C1CC1)C1CC1)c1cccc(O)c1O ZINC000126307725 384788424 /nfs/dbraw/zinc/78/84/24/384788424.db2.gz JSHYTMUUJQBKAG-UHFFFAOYSA-N 0 0 247.294 2.016 20 10 BECDRN CC[C@@H](NCC(F)(F)CO)c1ccccc1O ZINC000186420733 384841329 /nfs/dbraw/zinc/84/13/29/384841329.db2.gz TYPWATGUQZDLSY-SNVBAGLBSA-N 0 0 245.269 2.061 20 10 BECDRN CC[C@H](C)CC(=O)NCc1ccccc1O ZINC000164412823 384982054 /nfs/dbraw/zinc/98/20/54/384982054.db2.gz VNSKRQDYANHHLS-JTQLQIEISA-N 0 0 221.300 2.445 20 10 BECDRN CC[C@](C)(O)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000087011630 385063280 /nfs/dbraw/zinc/06/32/80/385063280.db2.gz AXTWEHYLPVKTKP-RNCFNFMXSA-N 0 0 241.306 2.343 20 10 BECDRN C[C@H]([NH2+]C[C@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000062744940 385183914 /nfs/dbraw/zinc/18/39/14/385183914.db2.gz CTJSTKHOGADAFO-GXSJLCMTSA-N 0 0 239.290 2.361 20 10 BECDRN C[C@H]([NH2+]C1CCOCC1)c1ccc(F)cc1[O-] ZINC000062745948 385186512 /nfs/dbraw/zinc/18/65/12/385186512.db2.gz HSEDBNQDCUIDNB-VIFPVBQESA-N 0 0 239.290 2.361 20 10 BECDRN CCN(C)CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062748477 385187357 /nfs/dbraw/zinc/18/73/57/385187357.db2.gz LDCFJWHGECCVMI-JTQLQIEISA-N 0 0 240.322 2.134 20 10 BECDRN C[C@@H]([NH2+]C1CCOCC1)c1ccc(F)cc1[O-] ZINC000062745949 385187693 /nfs/dbraw/zinc/18/76/93/385187693.db2.gz HSEDBNQDCUIDNB-SECBINFHSA-N 0 0 239.290 2.361 20 10 BECDRN C[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000062747673 385188146 /nfs/dbraw/zinc/18/81/46/385188146.db2.gz URZNJPFJDJVXTC-ZJUUUORDSA-N 0 0 239.290 2.218 20 10 BECDRN C[C@@H]1OCCN(Cc2cccc(F)c2O)[C@H]1C ZINC000272287910 385166060 /nfs/dbraw/zinc/16/60/60/385166060.db2.gz NTFOCUYGTNCSCZ-UWVGGRQHSA-N 0 0 239.290 2.141 20 10 BECDRN CCC[C@@H](O)CSc1nccs1 ZINC000298216485 385233950 /nfs/dbraw/zinc/23/39/50/385233950.db2.gz HBGDUDSWIGYGKQ-SSDOTTSWSA-N 0 0 203.332 2.396 20 10 BECDRN C[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000168708501 385382504 /nfs/dbraw/zinc/38/25/04/385382504.db2.gz HWYMVHLKPPMZAN-UWVGGRQHSA-N 0 0 240.322 2.132 20 10 BECDRN CCCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000169599255 385414778 /nfs/dbraw/zinc/41/47/78/385414778.db2.gz HWCLPNBZZHKVDI-FNORWQNLSA-N 0 0 235.283 2.027 20 10 BECDRN C[C@H](C(=O)NCc1ccccc1O)C(C)(F)F ZINC000293580117 385656863 /nfs/dbraw/zinc/65/68/63/385656863.db2.gz CIVPLCTXHNLJJY-MRVPVSSYSA-N 0 0 243.253 2.300 20 10 BECDRN Cc1ccc(C(=O)NC2(C)CCC2)c(O)c1O ZINC000182902683 385718194 /nfs/dbraw/zinc/71/81/94/385718194.db2.gz OOYOAZRQTUXFON-UHFFFAOYSA-N 0 0 235.283 2.079 20 10 BECDRN CO[C@@H]1CC[N@H+](Cc2ccccc2O)[C@@H](C)C1 ZINC000282171380 385739083 /nfs/dbraw/zinc/73/90/83/385739083.db2.gz FAPHZQFJWLIAIS-WCQYABFASA-N 0 0 235.327 2.392 20 10 BECDRN CC[C@H]([NH2+]CC(C)(C)O)c1ccc(F)cc1[O-] ZINC000286057738 385991734 /nfs/dbraw/zinc/99/17/34/385991734.db2.gz LGNBCDHEQNHGTM-NSHDSACASA-N 0 0 241.306 2.343 20 10 BECDRN CO[C@@H](C)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000272781261 385933199 /nfs/dbraw/zinc/93/31/99/385933199.db2.gz HQLZUYCTZZEIHM-LBPRGKRZSA-N 0 0 236.359 2.219 20 10 BECDRN CC[C@H](CO)[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000285837265 385970285 /nfs/dbraw/zinc/97/02/85/385970285.db2.gz XETGJVAHULYNJV-ZYHUDNBSSA-N 0 0 241.306 2.343 20 10 BECDRN Cc1ccc(C(=O)N[C@H]2CCC2(C)C)c(O)c1O ZINC000287415743 386119934 /nfs/dbraw/zinc/11/99/34/386119934.db2.gz ZRUFIKICEGXKEX-JTQLQIEISA-N 0 0 249.310 2.325 20 10 BECDRN CS[C@H](C)CC(=O)NCc1ccc(N)cc1 ZINC000297179087 386231122 /nfs/dbraw/zinc/23/11/22/386231122.db2.gz KYTJYNRBXIVVRE-SECBINFHSA-N 0 0 238.356 2.027 20 10 BECDRN Cc1cnc(C)c(N(C)Cc2ccccc2O)n1 ZINC000276138438 386279255 /nfs/dbraw/zinc/27/92/55/386279255.db2.gz CBBSOZPEQCZHLZ-UHFFFAOYSA-N 0 0 243.310 2.435 20 10 BECDRN CN(C)c1ccc(CN(C)Cc2ccon2)cc1 ZINC000265918693 386384792 /nfs/dbraw/zinc/38/47/92/386384792.db2.gz LXCJTAWCDHCRPF-UHFFFAOYSA-N 0 0 245.326 2.373 20 10 BECDRN CCOc1ccc(N(CC)CC(=O)OC)cc1 ZINC000265983736 386388841 /nfs/dbraw/zinc/38/88/41/386388841.db2.gz GRHRQQRATVCBIQ-UHFFFAOYSA-N 0 0 237.299 2.085 20 10 BECDRN C[C@@H]([NH2+]Cc1cccc(F)c1[O-])[C@@H]1CCOC1 ZINC000166137010 386474139 /nfs/dbraw/zinc/47/41/39/386474139.db2.gz GNBPFTMQXLZCFB-MWLCHTKSSA-N 0 0 239.290 2.046 20 10 BECDRN CN(Cc1ccccc1O)c1ccccn1 ZINC000302654039 386929845 /nfs/dbraw/zinc/92/98/45/386929845.db2.gz NSJHCAHPJAKKOJ-UHFFFAOYSA-N 0 0 214.268 2.424 20 10 BECDRN Nc1ccc(NC(=O)CC2CCC2)cc1 ZINC000226132083 388706275 /nfs/dbraw/zinc/70/62/75/388706275.db2.gz AHTWYRNKEAXRDB-UHFFFAOYSA-N 0 0 204.273 2.398 20 10 BECDRN CC(C)(O)CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000274902966 389049207 /nfs/dbraw/zinc/04/92/07/389049207.db2.gz HJNDURNXJRWHQH-UHFFFAOYSA-N 0 0 243.734 2.296 20 10 BECDRN Cc1[nH]ccc1C(=O)NCc1cc(C)ccc1O ZINC001645800759 1172690736 /nfs/dbraw/zinc/69/07/36/1172690736.db2.gz ROJQBFLYCDVAIF-UHFFFAOYSA-N 0 0 244.294 2.267 20 10 BECDRN CN(Cc1ccccc1O)C(=O)CC1CC1 ZINC000298766120 135380030 /nfs/dbraw/zinc/38/00/30/135380030.db2.gz ATIOJYSFCILYNO-UHFFFAOYSA-N 0 0 219.284 2.151 20 10 BECDRN Cc1occc1C(=O)N1Cc2cccc(O)c2C1 ZINC001650672057 1172889726 /nfs/dbraw/zinc/88/97/26/1172889726.db2.gz FNBLRCONUQSSIO-UHFFFAOYSA-N 0 0 243.262 2.450 20 10 BECDRN C/C=C(\CC)C(=O)NCc1cc(O)ccc1O ZINC001651225493 1172932860 /nfs/dbraw/zinc/93/28/60/1172932860.db2.gz LYBMAHRAFQJPEF-YCRREMRBSA-N 0 0 235.283 2.070 20 10 BECDRN CC[C@@H](C)CC(=O)NCc1cc(O)ccc1O ZINC001651225634 1172932351 /nfs/dbraw/zinc/93/23/51/1172932351.db2.gz RIRSZRKNKHDPSB-SECBINFHSA-N 0 0 237.299 2.150 20 10 BECDRN C/C=C(/CC)C(=O)NCc1cc(O)ccc1O ZINC001651225492 1172934171 /nfs/dbraw/zinc/93/41/71/1172934171.db2.gz LYBMAHRAFQJPEF-OQFOIZHKSA-N 0 0 235.283 2.070 20 10 BECDRN Oc1cccc(F)c1CNc1cnc(F)cn1 ZINC001651438690 1172952689 /nfs/dbraw/zinc/95/26/89/1172952689.db2.gz PLIHACCXUDVFFX-UHFFFAOYSA-N 0 0 237.209 2.073 20 10 BECDRN CC1(C)CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000070257677 167895839 /nfs/dbraw/zinc/89/58/39/167895839.db2.gz FKUBYMJHDQSLSN-UHFFFAOYSA-N 0 0 246.354 2.460 20 10 BECDRN CC1CC(NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000272630490 168138911 /nfs/dbraw/zinc/13/89/11/168138911.db2.gz KIJICZMCRPUOSI-HWKANZROSA-N 0 0 247.294 2.026 20 10 BECDRN CCNC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000055329037 170081384 /nfs/dbraw/zinc/08/13/84/170081384.db2.gz ZBWIRZGXIGIEHB-UHFFFAOYSA-N 0 0 249.358 2.352 20 10 BECDRN CCOC1CN(Cc2c(O)cccc2Cl)C1 ZINC000297319839 170336064 /nfs/dbraw/zinc/33/60/64/170336064.db2.gz CQDWICXSMCAURT-UHFFFAOYSA-N 0 0 241.718 2.266 20 10 BECDRN CC[C@H](C)C(=O)NCc1cccc(OC)c1O ZINC000068489258 171252017 /nfs/dbraw/zinc/25/20/17/171252017.db2.gz YYBSHUAHKAZDQN-VIFPVBQESA-N 0 0 237.299 2.063 20 10 BECDRN CC[C@H](C)CN(C)C(=O)Cc1ccc(N)cc1 ZINC000037172147 171270063 /nfs/dbraw/zinc/27/00/63/171270063.db2.gz MCLCQEMQWLRLEN-NSHDSACASA-N 0 0 234.343 2.316 20 10 BECDRN CC[C@H](C)OC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000040845564 171351462 /nfs/dbraw/zinc/35/14/62/171351462.db2.gz FYIXPNKHXLKURD-IWGCBNPKSA-N 0 0 236.267 2.453 20 10 BECDRN CC[C@H](C)[C@@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000042550576 171362241 /nfs/dbraw/zinc/36/22/41/171362241.db2.gz JMNZKAMVXHHTFQ-WDEREUQCSA-N 0 0 234.343 2.362 20 10 BECDRN CC[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000036168557 171613967 /nfs/dbraw/zinc/61/39/67/171613967.db2.gz KNMTUQKZFZJCGO-LBPRGKRZSA-N 0 0 246.354 2.460 20 10 BECDRN CCc1nn(C)cc1NCc1ccccc1O ZINC000222947445 172042557 /nfs/dbraw/zinc/04/25/57/172042557.db2.gz GBPYCFVKUVJRFG-UHFFFAOYSA-N 0 0 231.299 2.300 20 10 BECDRN CCc1nnc(NCc2ccc(N(C)C)cc2)o1 ZINC000295986782 172060683 /nfs/dbraw/zinc/06/06/83/172060683.db2.gz NLPAWWTWUIHAJN-UHFFFAOYSA-N 0 0 246.314 2.310 20 10 BECDRN Cc1cc(NCc2c(O)cccc2F)ncn1 ZINC001652252088 1173051308 /nfs/dbraw/zinc/05/13/08/1173051308.db2.gz HEVYKWKHUOCMLY-UHFFFAOYSA-N 0 0 233.246 2.242 20 10 BECDRN CN(CCCCCO)c1ccc2c(c1)OCO2 ZINC000270383735 172696456 /nfs/dbraw/zinc/69/64/56/172696456.db2.gz WNHXBISWDIWRRL-UHFFFAOYSA-N 0 0 237.299 2.014 20 10 BECDRN CN(CC[C@@H]1CCCO1)c1ccc2c(c1)OCO2 ZINC000189760687 172775229 /nfs/dbraw/zinc/77/52/29/172775229.db2.gz JZMXTJFEAWZACC-LBPRGKRZSA-N 0 0 249.310 2.421 20 10 BECDRN CN(Cc1ccccc1O)C(=O)[C@H]1CC1(C)C ZINC000124585885 172876471 /nfs/dbraw/zinc/87/64/71/172876471.db2.gz NZSXUSJPZWILPY-LLVKDONJSA-N 0 0 233.311 2.397 20 10 BECDRN C=C/C=C/CC(=O)NCc1c(O)cccc1F ZINC001652298937 1173057400 /nfs/dbraw/zinc/05/74/00/1173057400.db2.gz VQVLDGQTPDMKFF-ONEGZZNKSA-N 0 0 235.258 2.280 20 10 BECDRN COCCCCC(=O)Nc1ccc(N)cc1 ZINC000160401443 174173595 /nfs/dbraw/zinc/17/35/95/174173595.db2.gz MNYKKOAZPITVLW-UHFFFAOYSA-N 0 0 222.288 2.024 20 10 BECDRN COCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191181293 174249769 /nfs/dbraw/zinc/24/97/69/174249769.db2.gz RZPJYLRXYVOQCJ-QMMMGPOBSA-N 0 0 245.269 2.358 20 10 BECDRN COCCCOc1ccc(N(C)C)cc1 ZINC000279154306 174257121 /nfs/dbraw/zinc/25/71/21/174257121.db2.gz BCNTUXAVWAMTKV-UHFFFAOYSA-N 0 0 209.289 2.168 20 10 BECDRN COCCN1CCCCc2cc(OC)ccc21 ZINC000270922426 174307503 /nfs/dbraw/zinc/30/75/03/174307503.db2.gz VKXUJOZTKNDNKD-UHFFFAOYSA-N 0 0 235.327 2.484 20 10 BECDRN CO[C@@H](C)CC[NH2+]Cc1cccc(F)c1[O-] ZINC000272531036 174690522 /nfs/dbraw/zinc/69/05/22/174690522.db2.gz ZOHIHDOQTGKCDV-VIFPVBQESA-N 0 0 227.279 2.046 20 10 BECDRN COc1ccc(N(C)CCCO)cc1Cl ZINC000049821544 175136177 /nfs/dbraw/zinc/13/61/77/175136177.db2.gz PPZVXFBAPHAROL-UHFFFAOYSA-N 0 0 229.707 2.167 20 10 BECDRN COc1ccc(O)c([C@H](C)NCC(F)F)c1 ZINC000147325903 175160592 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CC(C)[C@@]1(C)C[C@H]1NC(=O)c1cccc(O)c1O ZINC000397229614 711379322 /nfs/dbraw/zinc/37/93/22/711379322.db2.gz LKQDDTLAJPTPAG-BXUZGUMPSA-N 0 0 249.310 2.262 20 10 BECDRN COC[C@H](C)C[NH2+]Cc1cc(Cl)ccc1O ZINC000045656596 711487924 /nfs/dbraw/zinc/48/79/24/711487924.db2.gz QOZSNLBPCDSCPJ-SECBINFHSA-N 0 0 243.734 2.418 20 10 BECDRN COc1ccc(N(C)Cc2c[nH]nc2C)cc1 ZINC000724776225 711611436 /nfs/dbraw/zinc/61/14/36/711611436.db2.gz YCJLXILUVCNLEY-UHFFFAOYSA-N 0 0 231.299 2.363 20 10 BECDRN O=C(NCc1c(O)cccc1F)[C@H]1C[C@H]2C[C@H]2C1 ZINC000928710148 711786224 /nfs/dbraw/zinc/78/62/24/711786224.db2.gz HNXARSJCLRPXBE-MYJAWHEDSA-N 0 0 249.285 2.194 20 10 BECDRN O=C(N[C@@H]1CC12CCCC2)c1cccc(O)c1O ZINC000387336214 711788211 /nfs/dbraw/zinc/78/82/11/711788211.db2.gz SQTRFTIQNCQAST-LLVKDONJSA-N 0 0 247.294 2.160 20 10 BECDRN CCc1ccc(C=C2SC(=S)NC2=O)o1 ZINC000155137165 711880176 /nfs/dbraw/zinc/88/01/76/711880176.db2.gz RPJPHNSCOKZCMF-VMPITWQZSA-N 0 0 239.321 2.331 20 10 BECDRN CC[C@@](C)(NC(=O)c1cccc(O)c1O)C1CC1 ZINC000701165195 712017098 /nfs/dbraw/zinc/01/70/98/712017098.db2.gz PIWQUFJWIMQSGD-CQSZACIVSA-N 0 0 249.310 2.406 20 10 BECDRN Cc1ccc([C@H](C)NCc2ncccn2)c(O)c1 ZINC000702325658 712047058 /nfs/dbraw/zinc/04/70/58/712047058.db2.gz JGQYGXLACMDYSG-NSHDSACASA-N 0 0 243.310 2.341 20 10 BECDRN COCCCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703214998 712068455 /nfs/dbraw/zinc/06/84/55/712068455.db2.gz QDBMZNPQEDZZDL-UHFFFAOYSA-N 0 0 245.269 2.187 20 10 BECDRN CC[C@@H](COC)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703396122 712075191 /nfs/dbraw/zinc/07/51/91/712075191.db2.gz XQGBNDAPHNSNMM-VIFPVBQESA-N 0 0 245.269 2.185 20 10 BECDRN C[C@H]1C[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708386991 712192055 /nfs/dbraw/zinc/19/20/55/712192055.db2.gz AALRLFISOXNCJR-JGVFFNPUSA-N 0 0 227.254 2.416 20 10 BECDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCCF ZINC000708387203 712192081 /nfs/dbraw/zinc/19/20/81/712192081.db2.gz AMLPUZHEYRJOEW-UHFFFAOYSA-N 0 0 219.206 2.120 20 10 BECDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCSC1 ZINC000708435901 712195218 /nfs/dbraw/zinc/19/52/18/712195218.db2.gz GRBALSZJNZCWKA-SECBINFHSA-N 0 0 245.294 2.266 20 10 BECDRN O=C(NCc1ccccc1O)[C@]12C[C@H]1CCC2 ZINC000710490145 712253809 /nfs/dbraw/zinc/25/38/09/712253809.db2.gz UGJCWSZVIYJFRU-BXUZGUMPSA-N 0 0 231.295 2.199 20 10 BECDRN O=C(NCc1ccccc1O)[C@H]1CC12CCC2 ZINC000760123141 712409801 /nfs/dbraw/zinc/40/98/01/712409801.db2.gz QZQFMCHPDLKDFZ-LLVKDONJSA-N 0 0 231.295 2.199 20 10 BECDRN O=C(C[C@@H]1C[C@H]1C1CC1)NCc1ccccc1O ZINC000712921890 712449836 /nfs/dbraw/zinc/44/98/36/712449836.db2.gz BTTNUBFZRLVIKY-STQMWFEESA-N 0 0 245.322 2.445 20 10 BECDRN [O-]c1c(C[NH2+][C@H]2CC23CC3)ccc(F)c1F ZINC000715273435 712515534 /nfs/dbraw/zinc/51/55/34/712515534.db2.gz WUFGGKOBDREXCQ-VIFPVBQESA-N 0 0 225.238 2.313 20 10 BECDRN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCc1ccccc1O ZINC000717217899 712639884 /nfs/dbraw/zinc/63/98/84/712639884.db2.gz DWHSPLBBJHDVLE-GWNIPJSYSA-N 0 0 245.322 2.301 20 10 BECDRN O=C(NC1(C2CC2)CCC1)c1cccc(O)c1O ZINC000717888702 712731205 /nfs/dbraw/zinc/73/12/05/712731205.db2.gz QOOFYCOJWBEVJO-UHFFFAOYSA-N 0 0 247.294 2.160 20 10 BECDRN Cc1cc(CN(C)c2ccc(N)cc2)c(C)nn1 ZINC000720525395 712849108 /nfs/dbraw/zinc/84/91/08/712849108.db2.gz UZHCHOTVZSELOO-UHFFFAOYSA-N 0 0 242.326 2.312 20 10 BECDRN Cc1cccc(CNc2cnccn2)c1O ZINC001160764419 964411236 /nfs/dbraw/zinc/41/12/36/964411236.db2.gz ILAQNFJECOAVJO-UHFFFAOYSA-N 0 0 215.256 2.103 20 10 BECDRN Oc1cccc(Nc2ccncc2Cl)c1O ZINC001212155790 965112825 /nfs/dbraw/zinc/11/28/25/965112825.db2.gz XPMCCVDFCAXNDN-UHFFFAOYSA-N 0 0 236.658 2.312 20 10 BECDRN O=C([O-])CC[N@@H+](Cc1ccccc1O)CC1CC1 ZINC000717244339 1166628708 /nfs/dbraw/zinc/62/87/08/1166628708.db2.gz WPOCJYYRMCHMCM-UHFFFAOYSA-N 0 0 249.310 2.079 20 10 BECDRN C[C@H](CCO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000309740567 1167336747 /nfs/dbraw/zinc/33/67/47/1167336747.db2.gz HQLZDLZLFYOVDX-SSDOTTSWSA-N 0 0 247.697 2.045 20 10 BECDRN C[C@@H](Nc1ncccn1)c1ccccc1O 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/nfs/dbraw/zinc/18/34/87/385183487.db2.gz CTJSTKHOGADAFO-ONGXEEELSA-N 0 0 239.290 2.361 20 10 BECDRN CC1(C)CCCN1C(=O)Cc1ccc(N)cc1 ZINC000063065460 385208677 /nfs/dbraw/zinc/20/86/77/385208677.db2.gz WVFMWHUEYVCNNK-UHFFFAOYSA-N 0 0 232.327 2.212 20 10 BECDRN CCOCC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000191207396 385293599 /nfs/dbraw/zinc/29/35/99/385293599.db2.gz XLFORHXRCCZXMO-MRVPVSSYSA-N 0 0 245.269 2.358 20 10 BECDRN C[C@@H]([NH2+][C@@H](C)CN(C)C)c1ccc(F)cc1[O-] ZINC000168708700 385383432 /nfs/dbraw/zinc/38/34/32/385383432.db2.gz HWYMVHLKPPMZAN-VHSXEESVSA-N 0 0 240.322 2.132 20 10 BECDRN C[C@H]1OCCN(Cc2cc(F)ccc2O)[C@H]1C ZINC000180158747 385385964 /nfs/dbraw/zinc/38/59/64/385385964.db2.gz GQFYFYAWQJJAET-VHSXEESVSA-N 0 0 239.290 2.141 20 10 BECDRN CC(C)(C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180623852 385533940 /nfs/dbraw/zinc/53/39/40/385533940.db2.gz PMQSMCFQBUYLHU-FNORWQNLSA-N 0 0 235.283 2.026 20 10 BECDRN CCN(C(=O)c1ccc(C)c(O)c1O)C(C)C ZINC000182153085 385638173 /nfs/dbraw/zinc/63/81/73/385638173.db2.gz MUUMFPGHNPRBTQ-UHFFFAOYSA-N 0 0 237.299 2.277 20 10 BECDRN CN(CCC(C)(C)O)c1ccc2c(c1)OCO2 ZINC000270134098 385674786 /nfs/dbraw/zinc/67/47/86/385674786.db2.gz HMVRHKBIWFWGPW-UHFFFAOYSA-N 0 0 237.299 2.013 20 10 BECDRN C/C(=C\C(=O)NCc1ccc(O)c(O)c1)C1CC1 ZINC000182534397 385678947 /nfs/dbraw/zinc/67/89/47/385678947.db2.gz FESHGSMQLYZBHL-RMKNXTFCSA-N 0 0 247.294 2.070 20 10 BECDRN Cc1cnc(NCc2ccc(N(C)C)cc2)nc1 ZINC000270245773 385688925 /nfs/dbraw/zinc/68/89/25/385688925.db2.gz SOVXRTJLTCWSAO-UHFFFAOYSA-N 0 0 242.326 2.463 20 10 BECDRN CC[C@H]1C[N@H+](Cc2cc(C)c(C)cc2O)C[C@H]1O ZINC000271244479 385809556 /nfs/dbraw/zinc/80/95/56/385809556.db2.gz BUTKZVBYTHHKCH-SWLSCSKDSA-N 0 0 249.354 2.212 20 10 BECDRN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C)c(O)c1O ZINC000271313921 385816459 /nfs/dbraw/zinc/81/64/59/385816459.db2.gz WBHUQPNYQSLPPH-GZMMTYOYSA-N 0 0 249.310 2.325 20 10 BECDRN Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C)c(O)c1O ZINC000271313932 385817218 /nfs/dbraw/zinc/81/72/18/385817218.db2.gz WBHUQPNYQSLPPH-LDYMZIIASA-N 0 0 249.310 2.325 20 10 BECDRN CC[C@H]([NH2+]CC[C@H](C)O)c1ccc(F)cc1[O-] ZINC000285530963 385937546 /nfs/dbraw/zinc/93/75/46/385937546.db2.gz BQOKFDRPWBPVBG-CABZTGNLSA-N 0 0 241.306 2.343 20 10 BECDRN COC[C@@H](C)Sc1ncc(C(=O)OC)s1 ZINC000295261782 386001372 /nfs/dbraw/zinc/00/13/72/386001372.db2.gz IQGAESGVWYJQEP-ZCFIWIBFSA-N 0 0 247.341 2.057 20 10 BECDRN C[C@H]([NH2+]CC1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273432722 386002218 /nfs/dbraw/zinc/00/22/18/386002218.db2.gz WFFJCHGURBFCLW-QMMMGPOBSA-N 0 0 236.271 2.361 20 10 BECDRN COC[C@H](C)Sc1ncc(C(=O)OC)s1 ZINC000295261780 386002400 /nfs/dbraw/zinc/00/24/00/386002400.db2.gz IQGAESGVWYJQEP-LURJTMIESA-N 0 0 247.341 2.057 20 10 BECDRN CC1(C)C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000263724974 386169666 /nfs/dbraw/zinc/16/96/66/386169666.db2.gz XEGAQBDZAOGHDN-LLVKDONJSA-N 0 0 236.271 2.189 20 10 BECDRN O=C(c1cccc(O)c1O)N1CCCC12CCC2 ZINC000365631608 386239876 /nfs/dbraw/zinc/23/98/76/386239876.db2.gz YATGQLHLNIFGTD-UHFFFAOYSA-N 0 0 247.294 2.257 20 10 BECDRN CO[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276238802 386290774 /nfs/dbraw/zinc/29/07/74/386290774.db2.gz AWDIDOXHROKSJJ-YUMQZZPRSA-N 0 0 245.269 2.356 20 10 BECDRN CCN(CC)C(=O)[C@@H](C)Sc1nccs1 ZINC000299012458 386404376 /nfs/dbraw/zinc/40/43/76/386404376.db2.gz BSUIWXMMNKZRFI-MRVPVSSYSA-N 0 0 244.385 2.492 20 10 BECDRN CCC[C@@]1(CO)CC[N@H+](Cc2ccccc2O)C1 ZINC000290225305 386409066 /nfs/dbraw/zinc/40/90/66/386409066.db2.gz SGAVWYIIDCQSQZ-OAHLLOKOSA-N 0 0 249.354 2.377 20 10 BECDRN C[C@H]([NH2+]Cc1cccc(F)c1[O-])[C@H]1CCOC1 ZINC000166137129 386474116 /nfs/dbraw/zinc/47/41/16/386474116.db2.gz GNBPFTMQXLZCFB-ONGXEEELSA-N 0 0 239.290 2.046 20 10 BECDRN CC(C)[N@H+](Cc1ccccc1O)[C@@H]1CCOC1 ZINC000291250596 386529252 /nfs/dbraw/zinc/52/92/52/386529252.db2.gz MASUMHSGBUTTQV-CYBMUJFWSA-N 0 0 235.327 2.392 20 10 BECDRN CC[C@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293615080 386661640 /nfs/dbraw/zinc/66/16/40/386661640.db2.gz MDDLUDMKGRNLGP-MRVPVSSYSA-N 0 0 247.697 2.045 20 10 BECDRN CC/C=C(\C)C(=O)NCCc1ccc(N)cc1 ZINC000210704607 386709559 /nfs/dbraw/zinc/70/95/59/386709559.db2.gz SMLGFNKDXLOPBE-NYYWCZLTSA-N 0 0 232.327 2.284 20 10 BECDRN C[C@@H]([NH2+]CCCCO)c1ccc(F)c(F)c1[O-] ZINC000279599258 386707699 /nfs/dbraw/zinc/70/76/99/386707699.db2.gz WAEZWKYNTRJTDO-MRVPVSSYSA-N 0 0 245.269 2.094 20 10 BECDRN CC(C)[C@@H](C)C(=O)NCc1c(O)cccc1O ZINC001645362970 1172659063 /nfs/dbraw/zinc/65/90/63/1172659063.db2.gz HENIZRADRKHEMR-SECBINFHSA-N 0 0 237.299 2.006 20 10 BECDRN CCC[C@@H]1C[C@H]1NC(=O)c1cccc(O)c1O ZINC000229413017 387167205 /nfs/dbraw/zinc/16/72/05/387167205.db2.gz OIJGYGVJUIMPKN-PSASIEDQSA-N 0 0 235.283 2.016 20 10 BECDRN CC[C@H]([NH2+]C[C@H](C)O)c1cccc(Cl)c1[O-] ZINC000287130505 387377187 /nfs/dbraw/zinc/37/71/87/387377187.db2.gz YQZJNFQXJSHELQ-KWQFWETISA-N 0 0 243.734 2.467 20 10 BECDRN CC[C@@H]([NH2+]C[C@@H](C)O)c1cccc(Cl)c1[O-] ZINC000287130508 387377242 /nfs/dbraw/zinc/37/72/42/387377242.db2.gz YQZJNFQXJSHELQ-LDYMZIIASA-N 0 0 243.734 2.467 20 10 BECDRN CC[C@@H](C)[C@@H](C)NC(=O)c1cccc(O)c1O ZINC000126296009 387676797 /nfs/dbraw/zinc/67/67/97/387676797.db2.gz BSICYAOLSTVCCT-RKDXNWHRSA-N 0 0 237.299 2.262 20 10 BECDRN O=C(NCc1ccccc1O)NCC1CC=CC1 ZINC000528147508 387856351 /nfs/dbraw/zinc/85/63/51/387856351.db2.gz PYSLIUYNWXQYCK-UHFFFAOYSA-N 0 0 246.310 2.158 20 10 BECDRN Nc1ccc(NC(=O)[C@@H]2CC23CCOCC3)cc1 ZINC000237988791 387930734 /nfs/dbraw/zinc/93/07/34/387930734.db2.gz HSMRYSPXBFWWIH-LBPRGKRZSA-N 0 0 246.310 2.024 20 10 BECDRN CSC[C@H](C)C(=O)Nc1ccc(N)cc1 ZINC000160355142 388059285 /nfs/dbraw/zinc/05/92/85/388059285.db2.gz HLAADDIADZLFED-QMMMGPOBSA-N 0 0 224.329 2.206 20 10 BECDRN Nc1ccc(NC(=O)CC[C@H]2CCOC2)cc1 ZINC000160405917 388064204 /nfs/dbraw/zinc/06/42/04/388064204.db2.gz KPGGBMPSSNZIRU-JTQLQIEISA-N 0 0 234.299 2.024 20 10 BECDRN C[C@@H](CF)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000289223814 388351337 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UYEOOQJAXXFGCP-UHFFFAOYSA-N 0 0 211.330 2.187 20 10 BECDRN CCc1coc(NC(=O)C2=CC(=O)CS2)n1 ZINC001651282083 1172940468 /nfs/dbraw/zinc/94/04/68/1172940468.db2.gz HTCMOABGVORZHG-UHFFFAOYSA-N 0 0 238.268 2.256 20 10 BECDRN CC(C)[C@@H](O)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000168775498 167457206 /nfs/dbraw/zinc/45/72/06/167457206.db2.gz CJIZHXASSOJQQW-RNCFNFMXSA-N 0 0 241.306 2.199 20 10 BECDRN CCC(C)(C)C(=O)NCc1ccc(O)c(O)c1 ZINC000158982232 168266295 /nfs/dbraw/zinc/26/62/95/168266295.db2.gz LNGAOLLUQVRKDR-UHFFFAOYSA-N 0 0 237.299 2.150 20 10 BECDRN CC[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000182587537 171007658 /nfs/dbraw/zinc/00/76/58/171007658.db2.gz HJUZHWBCFUYLLH-SNVBAGLBSA-N 0 0 249.310 2.278 20 10 BECDRN CCc1noc(NCc2cc(C)ccc2O)n1 ZINC000292798134 172087987 /nfs/dbraw/zinc/08/79/87/172087987.db2.gz QYEUGCSCXQIHQZ-UHFFFAOYSA-N 0 0 233.271 2.258 20 10 BECDRN CCn1cc(NCc2cccc(OC)c2O)cn1 ZINC000020352867 172185225 /nfs/dbraw/zinc/18/52/25/172185225.db2.gz XKECJYRKVFTCSD-UHFFFAOYSA-N 0 0 247.298 2.229 20 10 BECDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CC1(C)C ZINC000299095662 172877935 /nfs/dbraw/zinc/87/79/35/172877935.db2.gz VQCIVCZIFZTCCO-LBPRGKRZSA-N 0 0 248.326 2.332 20 10 BECDRN COC(=O)CN1CCCCc2cc(OC)ccc21 ZINC000270880144 173586342 /nfs/dbraw/zinc/58/63/42/173586342.db2.gz NIJGDVKFJCRVKG-UHFFFAOYSA-N 0 0 249.310 2.011 20 10 BECDRN COCCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294437309 174247426 /nfs/dbraw/zinc/24/74/26/174247426.db2.gz XPGAIGPJSXBGLY-UHFFFAOYSA-N 0 0 247.697 2.311 20 10 BECDRN COCCN(C)c1ccc(OC)c(Cl)c1 ZINC000121872534 174283504 /nfs/dbraw/zinc/28/35/04/174283504.db2.gz UNEPLIOWMQISSJ-UHFFFAOYSA-N 0 0 229.707 2.431 20 10 BECDRN CO[C@@H](C)COc1ccc(N(C)C)cc1 ZINC000289384150 174707733 /nfs/dbraw/zinc/70/77/33/174707733.db2.gz LPZGHSQWBUVOHE-JTQLQIEISA-N 0 0 209.289 2.166 20 10 BECDRN COc1ccc(CNCc2cc[nH]n2)cc1C ZINC000041015508 175107766 /nfs/dbraw/zinc/10/77/66/175107766.db2.gz QHECXDNMBFWMBP-UHFFFAOYSA-N 0 0 231.299 2.017 20 10 BECDRN COc1ccc(N(C)C[C@H](C)OC)cc1F ZINC000182229832 175136481 /nfs/dbraw/zinc/13/64/81/175136481.db2.gz BQZKRMITZLBFQM-VIFPVBQESA-N 0 0 227.279 2.305 20 10 BECDRN COc1cccc(CNc2cncc(C)n2)c1O ZINC000302220418 175268994 /nfs/dbraw/zinc/26/89/94/175268994.db2.gz MCSYNKZTQBVWOB-UHFFFAOYSA-N 0 0 245.282 2.111 20 10 BECDRN C[C@@H]1CCCN(C(=O)c2cccc(O)c2O)[C@@H]1C ZINC000126375578 176095726 /nfs/dbraw/zinc/09/57/26/176095726.db2.gz OHFBWKWLMVUWFM-NXEZZACHSA-N 0 0 249.310 2.358 20 10 BECDRN C[C@@H]1CC[C@@H](CN(C)c2ccc3c(c2)OCO3)O1 ZINC000190966758 176201932 /nfs/dbraw/zinc/20/19/32/176201932.db2.gz KUZYHNQLOQRDHU-PWSUYJOCSA-N 0 0 249.310 2.419 20 10 BECDRN C[C@@H]1CN(Cc2cccc(F)c2O)[C@H](C)CO1 ZINC000160199582 176306680 /nfs/dbraw/zinc/30/66/80/176306680.db2.gz NCPVAFHGTBOLJL-NXEZZACHSA-N 0 0 239.290 2.141 20 10 BECDRN C[C@H]1CN(C(=O)c2cccc(O)c2O)C(C)(C)C1 ZINC000279074223 177228405 /nfs/dbraw/zinc/22/84/05/177228405.db2.gz DGSMKSCIZNYZBE-SECBINFHSA-N 0 0 249.310 2.358 20 10 BECDRN C[C@@H]1CN(Cc2cccc(F)c2O)C[C@H](C)O1 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O=C(N1Cc2cccc(O)c2C1)[C@]12C[C@H]1CCC2 ZINC000828326179 587434929 /nfs/dbraw/zinc/43/49/29/587434929.db2.gz FHXCNOSYZCPLHR-IAQYHMDHSA-N 0 0 243.306 2.425 20 10 BECDRN COc1ccc(N(CCCO)CC2CC2)cc1 ZINC000831583039 587620923 /nfs/dbraw/zinc/62/09/23/587620923.db2.gz NYHAYZRDJFGVCE-UHFFFAOYSA-N 0 0 235.327 2.294 20 10 BECDRN CC[C@H](C)CONC(=O)C1=CC(=O)CS1 ZINC000832732407 587680941 /nfs/dbraw/zinc/68/09/41/587680941.db2.gz GTSAEEQPIOYNMH-ZETCQYMHSA-N 0 0 229.301 2.161 20 10 BECDRN COCC[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835025825 587779175 /nfs/dbraw/zinc/77/91/75/587779175.db2.gz NTUYRNGIHJDPQO-WAYWQWQTSA-N 0 0 248.370 2.344 20 10 BECDRN CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCOC2)cc1 ZINC000835042719 587779428 /nfs/dbraw/zinc/77/94/28/587779428.db2.gz XHUVAKBTMAMFTE-XGACYXMMSA-N 0 0 246.354 2.144 20 10 BECDRN Cc1cc(O)c(CN2CCOCC2)c(Cl)c1 ZINC000840908000 587928977 /nfs/dbraw/zinc/92/89/77/587928977.db2.gz LWXOEDIEHXENOV-UHFFFAOYSA-N 0 0 241.718 2.186 20 10 BECDRN 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Cc1ccc(CN(C)CC(F)F)c(O)c1 ZINC000876639141 590225064 /nfs/dbraw/zinc/22/50/64/590225064.db2.gz ATLXFTNYMLYGFT-UHFFFAOYSA-N 0 0 215.243 2.398 20 10 BECDRN Cc1cccc(O)c1CN(C)Cc1ccon1 ZINC000876754662 590238527 /nfs/dbraw/zinc/23/85/27/590238527.db2.gz OMRBCYIZNFPCPX-UHFFFAOYSA-N 0 0 232.283 2.321 20 10 BECDRN Cc1ccc(CNc2cnn(C)c2)c(O)c1 ZINC000877005744 590268449 /nfs/dbraw/zinc/26/84/49/590268449.db2.gz AJTHSLJAJFMSFM-UHFFFAOYSA-N 0 0 217.272 2.046 20 10 BECDRN Cc1cccc(O)c1C[NH2+]C[C@@H](C)C[C@@H](C)O ZINC000877058401 590276027 /nfs/dbraw/zinc/27/60/27/590276027.db2.gz IDPCPWBKKIRAAA-CMPLNLGQSA-N 0 0 237.343 2.197 20 10 BECDRN Cc1cccc(O)c1C[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000877059337 590276327 /nfs/dbraw/zinc/27/63/27/590276327.db2.gz VGBNURHOUOCTHW-QWHCGFSZSA-N 0 0 249.354 2.341 20 10 BECDRN CO[C@H]1CC[C@H](C(=O)N(C)c2ccc(N)cc2)C1 ZINC000877074677 590278188 /nfs/dbraw/zinc/27/81/88/590278188.db2.gz PGBBAEPQYKLPQP-GWCFXTLKSA-N 0 0 248.326 2.047 20 10 BECDRN CN(C(=O)C=C1CCC1)c1ccc(N)cc1 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/nfs/dbraw/zinc/84/36/48/590843648.db2.gz ORZPTDDKHUHROT-NSHDSACASA-N 0 0 243.310 2.341 20 10 BECDRN O=C(CCSc1nccs1)N1CCCC1 ZINC000882111090 591299892 /nfs/dbraw/zinc/29/98/92/591299892.db2.gz YDBIFWMMUKNGQO-UHFFFAOYSA-N 0 0 242.369 2.248 20 10 BECDRN CC(C)=CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000026278510 591481056 /nfs/dbraw/zinc/48/10/56/591481056.db2.gz NGGMDBVYQVKXIV-GQCTYLIASA-N 0 0 247.294 2.193 20 10 BECDRN COc1ccc(N(C)Cc2ccc(CO)o2)cc1 ZINC000130833763 591526311 /nfs/dbraw/zinc/52/63/11/591526311.db2.gz JSCQAJPYVBOZAM-UHFFFAOYSA-N 0 0 247.294 2.417 20 10 BECDRN COc1cccc(C[NH2+]C2CC=CC2)c1O ZINC000131200462 591566983 /nfs/dbraw/zinc/56/69/83/591566983.db2.gz RYPMGFHPOREVED-UHFFFAOYSA-N 0 0 219.284 2.209 20 10 BECDRN C[C@H]([NH2+]C1CC1)c1cc(F)cc(F)c1[O-] ZINC000134901732 591957557 /nfs/dbraw/zinc/95/75/57/591957557.db2.gz DDTNDTVKLFPJBX-LURJTMIESA-N 0 0 213.227 2.483 20 10 BECDRN C[C@@H]([NH2+]C1CC1)c1cc(F)cc(F)c1[O-] ZINC000134901753 591958202 /nfs/dbraw/zinc/95/82/02/591958202.db2.gz DDTNDTVKLFPJBX-ZCFIWIBFSA-N 0 0 213.227 2.483 20 10 BECDRN Cc1cncc(C(=O)NCc2ccccc2O)c1 ZINC000135358968 592009105 /nfs/dbraw/zinc/00/91/05/592009105.db2.gz UVYQQVKVXLAOAV-UHFFFAOYSA-N 0 0 242.278 2.026 20 10 BECDRN C[C@H]([NH2+]C[C@@H]1CCCO1)c1c([O-])cccc1F ZINC000886489387 592236230 /nfs/dbraw/zinc/23/62/30/592236230.db2.gz HMYNUAKBIVXFCW-UWVGGRQHSA-N 0 0 239.290 2.361 20 10 BECDRN C[C@H]([NH2+]Cc1ccnn1C)c1c([O-])cccc1F ZINC000886501221 592239411 /nfs/dbraw/zinc/23/94/11/592239411.db2.gz BBOMRVJXYRJITE-VIFPVBQESA-N 0 0 249.289 2.116 20 10 BECDRN COC[C@@H](C)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886512685 592240215 /nfs/dbraw/zinc/24/02/15/592240215.db2.gz LATLAVKGPWWYCC-UWVGGRQHSA-N 0 0 241.306 2.464 20 10 BECDRN C[C@@H]([NH2+][C@@H]1CCCOC1)c1c([O-])cccc1F ZINC000886525158 592246484 /nfs/dbraw/zinc/24/64/84/592246484.db2.gz YRITXULCOBEVQB-NXEZZACHSA-N 0 0 239.290 2.361 20 10 BECDRN C[C@@H]([NH2+][C@H]1CCCOC1)c1c([O-])cccc1F ZINC000886525161 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[O-]c1c(Cl)cccc1C[NH2+]Cc1cc[nH]n1 ZINC000162826395 633040333 /nfs/dbraw/zinc/04/03/33/633040333.db2.gz DIKSKFVPBCJAJE-UHFFFAOYSA-N 0 0 237.690 2.059 20 10 BECDRN [O-]c1c(Cl)cccc1C[NH2+]C1CCOCC1 ZINC000162828544 633040573 /nfs/dbraw/zinc/04/05/73/633040573.db2.gz JZNSCNSGRBZJPJ-UHFFFAOYSA-N 0 0 241.718 2.314 20 10 BECDRN C[C@H](O)C[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000164561607 633079812 /nfs/dbraw/zinc/07/98/12/633079812.db2.gz HFNWEUYBHOPXOG-IUCAKERBSA-N 0 0 243.734 2.295 20 10 BECDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])C(C)(C)O ZINC000309747188 634000454 /nfs/dbraw/zinc/00/04/54/634000454.db2.gz FXNJFRVBFORMSW-MRVPVSSYSA-N 0 0 243.734 2.295 20 10 BECDRN CC[C@@H](CCO)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162670300 634266177 /nfs/dbraw/zinc/26/61/77/634266177.db2.gz QNULSRRGFJQTSQ-JTQLQIEISA-N 0 0 243.734 2.296 20 10 BECDRN COc1cc(C)cc(CN[C@@H](C)C(F)F)c1O ZINC000895726006 636175143 /nfs/dbraw/zinc/17/51/43/636175143.db2.gz WSADJKSITLJRJF-QMMMGPOBSA-N 0 0 245.269 2.452 20 10 BECDRN 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Oc1ccccc1C[NH2+]C[C@H](O)c1ccsc1 ZINC000152539222 641612106 /nfs/dbraw/zinc/61/21/06/641612106.db2.gz AUFYRLCUWPBJAP-ZDUSSCGKSA-N 0 0 249.335 2.277 20 10 BECDRN O=C(C[C@H]1C=CCC1)NCc1ccc(O)c(O)c1 ZINC000159085274 641663641 /nfs/dbraw/zinc/66/36/41/641663641.db2.gz USPYEJKJYSNDQE-JTQLQIEISA-N 0 0 247.294 2.070 20 10 BECDRN C[C@H]1C[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000077258292 641841709 /nfs/dbraw/zinc/84/17/09/641841709.db2.gz XJIIONUSSKDYDI-GXSJLCMTSA-N 0 0 219.284 2.007 20 10 BECDRN COC(=O)/C=C(\C)CSc1nccs1 ZINC000916759423 641975307 /nfs/dbraw/zinc/97/53/07/641975307.db2.gz MYSGTENQUCSBSY-FNORWQNLSA-N 0 0 229.326 2.355 20 10 BECDRN CC(=O)OCCSc1ncc(Cl)s1 ZINC000918096319 642168658 /nfs/dbraw/zinc/16/86/58/642168658.db2.gz SIIJEFUCKBMYFU-UHFFFAOYSA-N 0 0 237.733 2.452 20 10 BECDRN CC(=O)C(=O)CSCCCC(C)C ZINC000308151333 642438781 /nfs/dbraw/zinc/43/87/81/642438781.db2.gz OMVGFHQMYKLXDG-UHFFFAOYSA-N 0 0 202.319 2.314 20 10 BECDRN Cc1cc(N(C)C)ccc1CNC(=O)C1CCC1 ZINC000115281602 642983120 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IJUYZHDEGNGJBV-UHFFFAOYSA-N 0 0 225.313 2.468 20 10 BECDRN CC1(C)C(NC(=O)Cc2ccc(N)cc2)C1(C)C ZINC000092803973 644668898 /nfs/dbraw/zinc/66/88/98/644668898.db2.gz UHCIVXBFBZMRFQ-UHFFFAOYSA-N 0 0 246.354 2.362 20 10 BECDRN O=C(NCc1ccccc1O)C1CC(F)(F)C1 ZINC000383342400 711594784 /nfs/dbraw/zinc/59/47/84/711594784.db2.gz YJYNTWPRWXDVHP-UHFFFAOYSA-N 0 0 241.237 2.054 20 10 BECDRN CC(C)C(C)(C)NC(=O)c1cccc(O)c1O ZINC000700486429 711994460 /nfs/dbraw/zinc/99/44/60/711994460.db2.gz WMAHJKYQFXEQOM-UHFFFAOYSA-N 0 0 237.299 2.262 20 10 BECDRN Cc1nc(CN(C)c2ccc(N)cc2)co1 ZINC000702071566 712038176 /nfs/dbraw/zinc/03/81/76/712038176.db2.gz NJWUCYCERNGDMB-UHFFFAOYSA-N 0 0 217.272 2.202 20 10 BECDRN [O-]c1c(C[NH2+]CC2CSC2)ccc(F)c1F ZINC000703230483 712068788 /nfs/dbraw/zinc/06/87/88/712068788.db2.gz TUXSFEOATHVFIQ-UHFFFAOYSA-N 0 0 245.294 2.123 20 10 BECDRN CCOCC[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000708413056 712193276 /nfs/dbraw/zinc/19/32/76/712193276.db2.gz LPHPPJDMOVKCMO-UHFFFAOYSA-N 0 0 245.269 2.139 20 10 BECDRN CC(=O)C(=O)CSC/C(C)=C/Cl ZINC000379319542 712373988 /nfs/dbraw/zinc/37/39/88/712373988.db2.gz RCDLDGWVDAUJSJ-ZZXKWVIFSA-N 0 0 206.694 2.020 20 10 BECDRN CCC1(C(=O)N(C)c2ccc(N)cc2)CC1 ZINC000390481916 712419036 /nfs/dbraw/zinc/41/90/36/712419036.db2.gz LSLDGILHNNFQFK-UHFFFAOYSA-N 0 0 218.300 2.422 20 10 BECDRN C[C@H](O)CC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000381426874 710635468 /nfs/dbraw/zinc/63/54/68/710635468.db2.gz ZBOSIJADYFPELS-ZETCQYMHSA-N 0 0 247.697 2.045 20 10 BECDRN CN(C)c1ccc(CNCC(C)(F)F)cc1 ZINC000382039053 710767731 /nfs/dbraw/zinc/76/77/31/710767731.db2.gz WXALKSDHHGBCTO-UHFFFAOYSA-N 0 0 228.286 2.497 20 10 BECDRN CC[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H](C)O ZINC000386742093 711036014 /nfs/dbraw/zinc/03/60/14/711036014.db2.gz DPVNKYXXSGUICX-LDYMZIIASA-N 0 0 243.734 2.295 20 10 BECDRN CCC(C)(C)NC(=O)NCCc1ccc(N)cc1 ZINC000395911621 711217260 /nfs/dbraw/zinc/21/72/60/711217260.db2.gz CCGYOMIQTBRVJT-UHFFFAOYSA-N 0 0 249.358 2.299 20 10 BECDRN C[C@@]1(NC(=O)c2cccc(O)c2O)CC=CCC1 ZINC000398367939 711409901 /nfs/dbraw/zinc/40/99/01/711409901.db2.gz IBABVVPRODGEJI-CQSZACIVSA-N 0 0 247.294 2.326 20 10 BECDRN CCN(CC)C[C@@H](C)[NH2+]Cc1ccccc1O ZINC000045690137 711488225 /nfs/dbraw/zinc/48/82/25/711488225.db2.gz IDJSBVJSYQVSMX-GFCCVEGCSA-N 0 0 236.359 2.212 20 10 BECDRN Oc1ccccc1CN1CC(F)(F)C(F)(F)C1 ZINC000313354822 711717969 /nfs/dbraw/zinc/71/79/69/711717969.db2.gz WOIBSQIJYKMWBR-UHFFFAOYSA-N 0 0 249.207 2.478 20 10 BECDRN CC(C)OCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703417487 711874870 /nfs/dbraw/zinc/87/48/70/711874870.db2.gz LURMCEZNVZOGLN-UHFFFAOYSA-N 0 0 245.269 2.185 20 10 BECDRN Cn1cc(NCc2c(O)cccc2Cl)cn1 ZINC000083552360 711916597 /nfs/dbraw/zinc/91/65/97/711916597.db2.gz ZHUNZBBWUZEPEU-UHFFFAOYSA-N 0 0 237.690 2.391 20 10 BECDRN C[C@@H]1C[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708386963 711957004 /nfs/dbraw/zinc/95/70/04/711957004.db2.gz AALRLFISOXNCJR-HTQZYQBOSA-N 0 0 227.254 2.416 20 10 BECDRN COC1(C(=O)Nc2ccc(N)cc2)CCCC1 ZINC000700849404 712008536 /nfs/dbraw/zinc/00/85/36/712008536.db2.gz DZPVJHAGDDXLEA-UHFFFAOYSA-N 0 0 234.299 2.167 20 10 BECDRN CC(C)c1noc(CN(C)c2ccc(N)cc2)n1 ZINC000702056435 712037384 /nfs/dbraw/zinc/03/73/84/712037384.db2.gz UPWCCNQQKNCVKW-UHFFFAOYSA-N 0 0 246.314 2.412 20 10 BECDRN CC[C@H](NCc1ncccn1)c1ccccc1O ZINC000702326169 712046916 /nfs/dbraw/zinc/04/69/16/712046916.db2.gz ORLCWARTPFPKMQ-LBPRGKRZSA-N 0 0 243.310 2.423 20 10 BECDRN C[C@H]([NH2+]CCOCCF)c1ccc(F)cc1[O-] ZINC000702654705 712058473 /nfs/dbraw/zinc/05/84/73/712058473.db2.gz QINSLYPVZXAJGJ-VIFPVBQESA-N 0 0 245.269 2.168 20 10 BECDRN C[C@H]1CCCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000703223159 712068571 /nfs/dbraw/zinc/06/85/71/712068571.db2.gz ZTTAOOBWAKESFU-LBPRGKRZSA-N 0 0 246.354 2.460 20 10 BECDRN CCOCCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703417750 712074346 /nfs/dbraw/zinc/07/43/46/712074346.db2.gz PMURKIDKVFYTGV-UHFFFAOYSA-N 0 0 245.269 2.187 20 10 BECDRN CC[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703437811 712076547 /nfs/dbraw/zinc/07/65/47/712076547.db2.gz NAUZDOYGXNPEDB-UHFFFAOYSA-N 0 0 201.216 2.122 20 10 BECDRN Nc1ccc(NC(=O)NC[C@@H]2C[C@H]2C2CC2)cc1 ZINC000704767492 712115291 /nfs/dbraw/zinc/11/52/91/712115291.db2.gz CTGFDNVQZDOJQG-GWCFXTLKSA-N 0 0 245.326 2.436 20 10 BECDRN Oc1ccccc1CNc1ncnc2[nH]ccc21 ZINC000705194506 712126669 /nfs/dbraw/zinc/12/66/69/712126669.db2.gz CAOZOOTYQVNWNN-UHFFFAOYSA-N 0 0 240.266 2.276 20 10 BECDRN C/C=C/C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708504924 712211897 /nfs/dbraw/zinc/21/18/97/712211897.db2.gz VURWIHQXIKZPDE-NSCUHMNNSA-N 0 0 213.227 2.336 20 10 BECDRN Nc1ccc(NC(=O)N2CC[C@H](CF)C2)cc1 ZINC000711429452 712298518 /nfs/dbraw/zinc/29/85/18/712298518.db2.gz KDBWDTMAVJMHAT-SECBINFHSA-N 0 0 237.278 2.092 20 10 BECDRN [O-]c1c(C[N@@H+]2CC[C@H](CF)C2)ccc(F)c1F ZINC000711502589 712307423 /nfs/dbraw/zinc/30/74/23/712307423.db2.gz MTKZJGPFRBAVEY-MRVPVSSYSA-N 0 0 245.244 2.462 20 10 BECDRN COc1cccc(O)c1CNCC(C)(F)F ZINC000378731987 712359774 /nfs/dbraw/zinc/35/97/74/712359774.db2.gz LGWJVSJYXTYYIP-UHFFFAOYSA-N 0 0 231.242 2.146 20 10 BECDRN CO[C@H](C)C[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000708415628 712372982 /nfs/dbraw/zinc/37/29/82/712372982.db2.gz ZZPLZNXAXXDTGU-MRVPVSSYSA-N 0 0 245.269 2.137 20 10 BECDRN C[C@@H](O)CCCSc1nccs1 ZINC000379322630 712373769 /nfs/dbraw/zinc/37/37/69/712373769.db2.gz KHZJRCNZFZRDJK-SSDOTTSWSA-N 0 0 203.332 2.396 20 10 BECDRN [O-]c1c(C[NH2+][C@@H]2CC23CC3)ccc(F)c1F ZINC000715273432 712515467 /nfs/dbraw/zinc/51/54/67/712515467.db2.gz WUFGGKOBDREXCQ-SECBINFHSA-N 0 0 225.238 2.313 20 10 BECDRN C[N@H+](CCCF)Cc1cc(F)cc(F)c1[O-] ZINC000716640711 712568583 /nfs/dbraw/zinc/56/85/83/712568583.db2.gz UYHZBZOGEZKCQG-UHFFFAOYSA-N 0 0 233.233 2.462 20 10 BECDRN O=C(C[C@@H]1CC[C@H]2C[C@H]21)NCc1ccccc1O ZINC000716959861 712600264 /nfs/dbraw/zinc/60/02/64/712600264.db2.gz QUAGZLUBSHNDKO-GMXVVIOVSA-N 0 0 245.322 2.445 20 10 BECDRN C[C@@H]1CN(Cc2cc(F)c(F)cc2O)C[C@@H]1F ZINC001142508513 961468355 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ZINC000294766680 388403099 /nfs/dbraw/zinc/40/30/99/388403099.db2.gz JTPMSPVRMVFPEF-UHFFFAOYSA-N 0 0 241.306 2.030 20 10 BECDRN C[C@@H](CCCO)C[NH2+]Cc1cccc(F)c1[O-] ZINC000294675022 388403864 /nfs/dbraw/zinc/40/38/64/388403864.db2.gz BBSMSLNPDKYJRL-JTQLQIEISA-N 0 0 241.306 2.030 20 10 BECDRN C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)NCc1ccccc1O ZINC000528854206 388579640 /nfs/dbraw/zinc/57/96/40/388579640.db2.gz IVIUHIAXVUUHFX-HERUPUMHSA-N 0 0 245.322 2.301 20 10 BECDRN OCCN1CCCc2cc(OC(F)F)ccc21 ZINC000304714735 132287958 /nfs/dbraw/zinc/28/79/58/132287958.db2.gz MWQOIMZYGBLMHD-UHFFFAOYSA-N 0 0 243.253 2.033 20 10 BECDRN CC[C@H]1C[C@@H](C)CN1C(=O)Cc1ccc(N)cc1 ZINC000262631751 135310645 /nfs/dbraw/zinc/31/06/45/135310645.db2.gz LCBMGTGMDUIUBD-RISCZKNCSA-N 0 0 246.354 2.458 20 10 BECDRN Nc1ccc(Cc2nc([C@H]3CCCO3)no2)cc1 ZINC000087801132 135513475 /nfs/dbraw/zinc/51/34/75/135513475.db2.gz YVWUCUFRYDPCEP-LLVKDONJSA-N 0 0 245.282 2.094 20 10 BECDRN O=C(CC1CCCC1)NCc1c(O)cccc1O ZINC001647270544 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/nfs/dbraw/zinc/13/40/17/171134017.db2.gz QTJGNJRDRUSPRV-ZYHUDNBSSA-N 0 0 248.326 2.332 20 10 BECDRN CC[C@H](C)[C@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000042550582 171386844 /nfs/dbraw/zinc/38/68/44/171386844.db2.gz JMNZKAMVXHHTFQ-QWRGUYRKSA-N 0 0 234.343 2.362 20 10 BECDRN CN(C)C(=O)CCCSc1nccs1 ZINC000141894608 172357710 /nfs/dbraw/zinc/35/77/10/172357710.db2.gz VADHSUNKHZHSQN-UHFFFAOYSA-N 0 0 230.358 2.104 20 10 BECDRN CN(Cc1ccccc1O)C(=O)NC1CCC1 ZINC000265848547 172877861 /nfs/dbraw/zinc/87/78/61/172877861.db2.gz VMCSCPHKILGAMJ-UHFFFAOYSA-N 0 0 234.299 2.086 20 10 BECDRN COC(C)(C)C(=O)CSc1nccs1 ZINC000281113796 173925056 /nfs/dbraw/zinc/92/50/56/173925056.db2.gz ZKPJLQHFJBQVJV-UHFFFAOYSA-N 0 0 231.342 2.229 20 10 BECDRN COCCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162822457 174248624 /nfs/dbraw/zinc/24/86/24/174248624.db2.gz VXOYPRKDJVQRBD-UHFFFAOYSA-N 0 0 229.707 2.172 20 10 BECDRN COc1ccc(N(C)Cc2ccno2)cc1F ZINC000268166037 175136658 /nfs/dbraw/zinc/13/66/58/175136658.db2.gz KPLXFOOMRQLCNF-UHFFFAOYSA-N 0 0 236.246 2.459 20 10 BECDRN COc1cccc(C[NH2+]C[C@H]2C[C@H]2C)c1O ZINC000136401740 175265802 /nfs/dbraw/zinc/26/58/02/175265802.db2.gz ZPLDTFQPITUYDT-MWLCHTKSSA-N 0 0 221.300 2.146 20 10 BECDRN CSCCOc1ccc(N(C)C)cc1 ZINC000289483986 175501406 /nfs/dbraw/zinc/50/14/06/175501406.db2.gz YFZZZWAUHKYNDX-UHFFFAOYSA-N 0 0 211.330 2.494 20 10 BECDRN C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(O)c1O ZINC000126223815 176079659 /nfs/dbraw/zinc/07/96/59/176079659.db2.gz DFOOMUPIFJVAQV-KOLCDFICSA-N 0 0 249.310 2.406 20 10 BECDRN C[C@H](Sc1ncc(C(C)(C)C)s1)C(N)=O ZINC000164097032 177030186 /nfs/dbraw/zinc/03/01/86/177030186.db2.gz ZVHHXXKEYCSOIY-LURJTMIESA-N 0 0 244.385 2.407 20 10 BECDRN C[C@H]1CCC[C@H]1NC(=O)c1cccc(O)c1O ZINC000126408030 177141876 /nfs/dbraw/zinc/14/18/76/177141876.db2.gz HLZMZSHJOVYCDE-WCBMZHEXSA-N 0 0 235.283 2.016 20 10 BECDRN C[C@H]1CCN(C(=O)Cc2ccc(N)cc2)[C@H]1C ZINC000237549225 177147928 /nfs/dbraw/zinc/14/79/28/177147928.db2.gz SFTKUNXXHCENID-QWRGUYRKSA-N 0 0 232.327 2.068 20 10 BECDRN C[C@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000165416039 177165746 /nfs/dbraw/zinc/16/57/46/177165746.db2.gz IHEOYTWUJMZCDT-VIFPVBQESA-N 0 0 209.264 2.373 20 10 BECDRN C[C@H]1CN(C(=O)Cc2ccc(N)cc2)C(C)(C)C1 ZINC000262651624 177218085 /nfs/dbraw/zinc/21/80/85/177218085.db2.gz VISZEXMHVSEIDQ-LLVKDONJSA-N 0 0 246.354 2.458 20 10 BECDRN C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000292288197 177335915 /nfs/dbraw/zinc/33/59/15/177335915.db2.gz CFNLKUOHZMYTAJ-WFASDCNBSA-N 0 0 248.370 2.098 20 10 BECDRN CC(C)C1(NC(=O)C2=CC(=O)CS2)CC1 ZINC000854662120 588800155 /nfs/dbraw/zinc/80/01/55/588800155.db2.gz QGXJMULOSUNCMR-UHFFFAOYSA-N 0 0 225.313 2.372 20 10 BECDRN CN(C(=O)C1=CC(=O)CS1)C(C)(C)C ZINC000855010568 588820481 /nfs/dbraw/zinc/82/04/81/588820481.db2.gz WKVZVWBFRSBNCT-UHFFFAOYSA-N 0 0 213.302 2.324 20 10 BECDRN CN(Cc1ccccc1O)CC(F)F ZINC000112981664 588822088 /nfs/dbraw/zinc/82/20/88/588822088.db2.gz VWQLABLQJZYRKK-UHFFFAOYSA-N 0 0 201.216 2.089 20 10 BECDRN Cc1cnnc(NCc2ccc(N(C)C)cc2)c1 ZINC000891579212 582699020 /nfs/dbraw/zinc/69/90/20/582699020.db2.gz UIFYHHCVKBCAIJ-UHFFFAOYSA-N 0 0 242.326 2.463 20 10 BECDRN CC12CC(C1)CN2C(=O)C1=CC(=O)CS1 ZINC000856511873 588874323 /nfs/dbraw/zinc/87/43/23/588874323.db2.gz AATNQDJKIGRECS-UHFFFAOYSA-N 0 0 223.297 2.078 20 10 BECDRN Cc1n[nH]c(C[N@@H+](C)Cc2ccccc2O)c1C ZINC000893961389 583256141 /nfs/dbraw/zinc/25/61/41/583256141.db2.gz FZLNBAWUPLDSFO-UHFFFAOYSA-N 0 0 245.326 2.364 20 10 BECDRN Cc1cccc(O)c1C[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000877836395 583350696 /nfs/dbraw/zinc/35/06/96/583350696.db2.gz WFDCBOZSWNLGDI-GFCCVEGCSA-N 0 0 249.354 2.293 20 10 BECDRN COc1cccc(CN2CC[C@@H]2C(F)F)c1O ZINC000895436833 583674822 /nfs/dbraw/zinc/67/48/22/583674822.db2.gz QANGNHPPZSPFCE-SECBINFHSA-N 0 0 243.253 2.240 20 10 BECDRN Oc1cccc(F)c1CNc1nnc(C2CC2)o1 ZINC000895832634 583735218 /nfs/dbraw/zinc/73/52/18/583735218.db2.gz JNYUWHQLZLOWMM-UHFFFAOYSA-N 0 0 249.245 2.404 20 10 BECDRN C[C@H]([NH2+]Cc1c([O-])cccc1F)[C@H]1CCOC1 ZINC000896637319 583819018 /nfs/dbraw/zinc/81/90/18/583819018.db2.gz JDTRDOMNELOHAQ-UWVGGRQHSA-N 0 0 239.290 2.046 20 10 BECDRN [O-]c1cccc(F)c1C[NH2+]CC[C@H]1CCOC1 ZINC000896637937 583819630 /nfs/dbraw/zinc/81/96/30/583819630.db2.gz RTWCIOKAYIMYAP-JTQLQIEISA-N 0 0 239.290 2.048 20 10 BECDRN Cc1ncc(CNCc2c(O)cccc2F)o1 ZINC000896637984 583819924 /nfs/dbraw/zinc/81/99/24/583819924.db2.gz MNLSJEYIKGWOBQ-UHFFFAOYSA-N 0 0 236.246 2.118 20 10 BECDRN [O-]c1cccc(F)c1C[NH2+]C[C@H]1CCSC1 ZINC000896638642 583819983 /nfs/dbraw/zinc/81/99/83/583819983.db2.gz XBEMVFYWQWKUIP-SECBINFHSA-N 0 0 241.331 2.374 20 10 BECDRN CCn1nccc1C[NH2+]Cc1c([O-])cccc1F ZINC000896640943 583820208 /nfs/dbraw/zinc/82/02/08/583820208.db2.gz NCHHDXIWFFVHAK-UHFFFAOYSA-N 0 0 249.289 2.038 20 10 BECDRN C[C@H]1CSC[C@H]1[NH2+]Cc1c([O-])cccc1F ZINC000896640168 583820350 /nfs/dbraw/zinc/82/03/50/583820350.db2.gz ZOWDXZYTCAYDRV-GZMMTYOYSA-N 0 0 241.331 2.372 20 10 BECDRN [O-]c1cccc(F)c1C[NH2+][C@H]1CCSC1 ZINC000896640290 583820381 /nfs/dbraw/zinc/82/03/81/583820381.db2.gz IVBJKXWHGAGVBJ-QMMMGPOBSA-N 0 0 227.304 2.126 20 10 BECDRN C[C@@H]1CSC[C@@H]1[NH2+]Cc1c([O-])cccc1F ZINC000896640171 583820399 /nfs/dbraw/zinc/82/03/99/583820399.db2.gz ZOWDXZYTCAYDRV-KCJUWKMLSA-N 0 0 241.331 2.372 20 10 BECDRN [O-]c1cccc(F)c1C[NH2+][C@@H]1CCSC1 ZINC000896640289 583820411 /nfs/dbraw/zinc/82/04/11/583820411.db2.gz IVBJKXWHGAGVBJ-MRVPVSSYSA-N 0 0 227.304 2.126 20 10 BECDRN CCCCNC(=O)NCc1cc(C)ccc1O ZINC000858099868 588932959 /nfs/dbraw/zinc/93/29/59/588932959.db2.gz ANHAKOXLELZKOJ-UHFFFAOYSA-N 0 0 236.315 2.300 20 10 BECDRN CCn1nccc1CNc1ccc(N)cc1 ZINC000841039742 584116287 /nfs/dbraw/zinc/11/62/87/584116287.db2.gz AGFFPQCKVJPNKO-UHFFFAOYSA-N 0 0 216.288 2.097 20 10 BECDRN C[C@@H]1OCC[C@@H]1CN(C)c1ccc(N)cc1 ZINC000866667920 584121559 /nfs/dbraw/zinc/12/15/59/584121559.db2.gz BPSWTJWFBVRCKX-WDEREUQCSA-N 0 0 220.316 2.130 20 10 BECDRN COc1cccc(C[NH2+]C/C=C/Cl)c1O ZINC000898436300 584136270 /nfs/dbraw/zinc/13/62/70/584136270.db2.gz RUXNQTDQYQRTCV-ZZXKWVIFSA-N 0 0 227.691 2.243 20 10 BECDRN C[C@H]1C[C@@H]1C(=O)CSc1nccs1 ZINC000901478226 584449065 /nfs/dbraw/zinc/44/90/65/584449065.db2.gz TZRNWBWEIMXCST-BQBZGAKWSA-N 0 0 213.327 2.460 20 10 BECDRN CN(C)c1ccc(OCc2nncs2)cc1 ZINC000902360485 584571276 /nfs/dbraw/zinc/57/12/76/584571276.db2.gz SRQNGXVLUBUGBV-UHFFFAOYSA-N 0 0 235.312 2.183 20 10 BECDRN C[C@H]([NH2+][C@H]1COC[C@@H]1C)c1c([O-])cccc1F ZINC000903393065 584756204 /nfs/dbraw/zinc/75/62/04/584756204.db2.gz FLAJGTCENUTOLJ-QXEWZRGKSA-N 0 0 239.290 2.217 20 10 BECDRN CN(C(=O)C12CC(C1)C2)c1ccc(N)cc1 ZINC000877074297 584889669 /nfs/dbraw/zinc/88/96/69/584889669.db2.gz FXPUVMGZYPDOKV-UHFFFAOYSA-N 0 0 216.284 2.032 20 10 BECDRN CC[C@@H](SC)C(=O)N(C)c1ccc(N)cc1 ZINC000877076937 584889696 /nfs/dbraw/zinc/88/96/96/584889696.db2.gz XLBZMBPYKQVFMH-LLVKDONJSA-N 0 0 238.356 2.373 20 10 BECDRN Cc1noc([C@H](C)N(C)Cc2ccccc2O)n1 ZINC000731843086 584929611 /nfs/dbraw/zinc/92/96/11/584929611.db2.gz UETCKLHMPVNVFA-VIFPVBQESA-N 0 0 247.298 2.277 20 10 BECDRN O=C(Nc1ccccn1)C1=CC(=O)CS1 ZINC000731864312 584929686 /nfs/dbraw/zinc/92/96/86/584929686.db2.gz QTXXFOTUPDPJLA-UHFFFAOYSA-N 0 0 220.253 2.101 20 10 BECDRN O=C(NCCc1ccccc1)C1=CC(=O)CS1 ZINC000731863665 584929728 /nfs/dbraw/zinc/92/97/28/584929728.db2.gz BASXTOBZQPFPLY-UHFFFAOYSA-N 0 0 247.319 2.426 20 10 BECDRN Cc1ccnc(NC(=O)C2=CC(=O)CS2)c1 ZINC000731863704 584929756 /nfs/dbraw/zinc/92/97/56/584929756.db2.gz AZHOXVDUGITJAU-UHFFFAOYSA-N 0 0 234.280 2.409 20 10 BECDRN O=C(NCCc1ccco1)C1=CC(=O)CS1 ZINC000731861466 584929811 /nfs/dbraw/zinc/92/98/11/584929811.db2.gz CBLDCKBTRWBLRP-UHFFFAOYSA-N 0 0 237.280 2.019 20 10 BECDRN O=C(NCC1CCCC1)C1=CC(=O)CS1 ZINC000731869130 584930745 /nfs/dbraw/zinc/93/07/45/584930745.db2.gz MGSBTHDARBIBCE-UHFFFAOYSA-N 0 0 225.313 2.374 20 10 BECDRN CCC[C@@H](C)NC(=O)C1=CC(=O)CS1 ZINC000732265208 584934999 /nfs/dbraw/zinc/93/49/99/584934999.db2.gz 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FDUAPQDUWMAMIT-UHFFFAOYSA-N 0 0 245.282 2.111 20 10 BECDRN CN(CCC1(O)CCC1)c1ccc2c(c1)OCO2 ZINC000839529892 585170264 /nfs/dbraw/zinc/17/02/64/585170264.db2.gz KFJUKRMPVCJSQS-UHFFFAOYSA-N 0 0 249.310 2.157 20 10 BECDRN CC(C)CNC(=S)NCc1ccccc1O ZINC000748156639 585188404 /nfs/dbraw/zinc/18/84/04/585188404.db2.gz HDFXULMZVQUQFK-UHFFFAOYSA-N 0 0 238.356 2.012 20 10 BECDRN O=C(NCc1ccccc1O)Nc1nccs1 ZINC000748324460 585190625 /nfs/dbraw/zinc/19/06/25/585190625.db2.gz DZBOMIMHTRZXHA-UHFFFAOYSA-N 0 0 249.295 2.170 20 10 BECDRN C[C@H](CC(=O)NCc1ccccc1O)C1CC1 ZINC000748347010 585191245 /nfs/dbraw/zinc/19/12/45/585191245.db2.gz ROBQPBBXWRHNNF-SNVBAGLBSA-N 0 0 233.311 2.445 20 10 BECDRN CC[C@H](C)N(C)C(=O)C1=CC(=O)CS1 ZINC000751396331 585229431 /nfs/dbraw/zinc/22/94/31/585229431.db2.gz SLEZAFVVMWKANL-ZETCQYMHSA-N 0 0 213.302 2.324 20 10 BECDRN CS/C=C\C(=O)N(C)Cc1ccccc1O ZINC000751535479 585232235 /nfs/dbraw/zinc/23/22/35/585232235.db2.gz QDRWFNAYRYOFQI-FPLPWBNLSA-N 0 0 237.324 2.227 20 10 BECDRN 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CCN(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776240250 585693650 /nfs/dbraw/zinc/69/36/50/585693650.db2.gz YAQWUIFSNIZILA-NSHDSACASA-N 0 0 249.358 2.475 20 10 BECDRN C[C@H]1CCN(C(=O)C2=CC(=O)CS2)C[C@@H]1F ZINC000778518357 585736595 /nfs/dbraw/zinc/73/65/95/585736595.db2.gz QOONGHLDCBCGJL-CBAPKCEASA-N 0 0 243.303 2.274 20 10 BECDRN CC1(C)CCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779519789 585755995 /nfs/dbraw/zinc/75/59/95/585755995.db2.gz MWSUIIFHQMPECE-XQRVVYSFSA-N 0 0 247.294 2.122 20 10 BECDRN CC1(C)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779519783 585756017 /nfs/dbraw/zinc/75/60/17/585756017.db2.gz MWSUIIFHQMPECE-GQCTYLIASA-N 0 0 247.294 2.122 20 10 BECDRN C[C@@H]1CC[C@@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000782048012 585807553 /nfs/dbraw/zinc/80/75/53/585807553.db2.gz GGZNUPBSVNUCOE-HTQZYQBOSA-N 0 0 225.313 2.372 20 10 BECDRN C[C@H]1CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000783239508 585831864 /nfs/dbraw/zinc/83/18/64/585831864.db2.gz XFSKJLRHXCFQFL-GZMMTYOYSA-N 0 0 236.271 2.189 20 10 BECDRN CC(C)[C@H](F)C(=O)NCc1ccccc1O ZINC000784447057 585860104 /nfs/dbraw/zinc/86/01/04/585860104.db2.gz TWWZGGDFTQORTE-NSHDSACASA-N 0 0 225.263 2.003 20 10 BECDRN O=C(NCc1ccccc1O)OCC1CC1 ZINC000785087599 585870729 /nfs/dbraw/zinc/87/07/29/585870729.db2.gz WAJSZQPPDNMCDD-UHFFFAOYSA-N 0 0 221.256 2.028 20 10 BECDRN C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000788269060 585919940 /nfs/dbraw/zinc/91/99/40/585919940.db2.gz LBZLIBOVSRGFRV-SCZZXKLOSA-N 0 0 241.718 2.001 20 10 BECDRN C[C@H]1CC[C@@H](COC(=O)C2=CC(=O)CS2)O1 ZINC000789049106 585934166 /nfs/dbraw/zinc/93/41/66/585934166.db2.gz LFANTTBOYYTJTJ-CBAPKCEASA-N 0 0 242.296 2.178 20 10 BECDRN C[C@@H]1C[C@H](C)N1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000792535937 586002167 /nfs/dbraw/zinc/00/21/67/586002167.db2.gz XUJZSOYMWBSQTQ-XUWCJYAZSA-N 0 0 247.294 2.120 20 10 BECDRN C[C@@H]1C[C@@H](C)N1C(=O)C1=CC(=O)CS1 ZINC000792672024 586003862 /nfs/dbraw/zinc/00/38/62/586003862.db2.gz CAXYFNZHDZAWNZ-RNFRBKRXSA-N 0 0 211.286 2.077 20 10 BECDRN 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589044298 /nfs/dbraw/zinc/04/42/98/589044298.db2.gz IFWJNGNHSRZMAK-BQBZGAKWSA-N 0 0 212.270 2.267 20 10 BECDRN O=C(Nc1cccc(O)c1)C1=CC(=O)CS1 ZINC000806333017 586409554 /nfs/dbraw/zinc/40/95/54/586409554.db2.gz CWLBABSRSWUNLV-UHFFFAOYSA-N 0 0 235.264 2.412 20 10 BECDRN CC(=O)C(=O)COc1ccc(Cl)cc1F ZINC000808016658 586459087 /nfs/dbraw/zinc/45/90/87/586459087.db2.gz SLMWFSSPRYBNCC-UHFFFAOYSA-N 0 0 230.622 2.016 20 10 BECDRN CC(=O)C(=O)CSc1nc2ccccc2o1 ZINC000808012107 586459256 /nfs/dbraw/zinc/45/92/56/586459256.db2.gz FAJZHYKDVSFEPA-UHFFFAOYSA-N 0 0 235.264 2.078 20 10 BECDRN CC(=O)C(=O)COc1cc(Cl)ccc1F ZINC000808023025 586459649 /nfs/dbraw/zinc/45/96/49/586459649.db2.gz WAMYYUYSRAEGEB-UHFFFAOYSA-N 0 0 230.622 2.016 20 10 BECDRN CCCCCC[C@H](C)C(=O)OCC(=O)C(C)=O ZINC000808520973 586477194 /nfs/dbraw/zinc/47/71/94/586477194.db2.gz BXJQRZLSHYEXCG-JTQLQIEISA-N 0 0 242.315 2.294 20 10 BECDRN CCCCCC(C)(C)C(=O)OCC(=O)C(C)=O ZINC000808526624 586477358 /nfs/dbraw/zinc/47/73/58/586477358.db2.gz 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