smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(CC)[NH2+][C@@H](C)c1cc(O)ccc1[O-] ZINC000019883949 168390712 /nfs/dbraw/zinc/39/07/12/168390712.db2.gz BOIAQDUXFVBREB-VIFPVBQESA-N 0 3 223.316 2.937 10 10 BFCEHN CCC(CC)[NH2+][C@H](C)c1cc(O)ccc1[O-] ZINC000019883950 168392431 /nfs/dbraw/zinc/39/24/31/168392431.db2.gz BOIAQDUXFVBREB-SECBINFHSA-N 0 3 223.316 2.937 10 10 BFCEHN CSc1ccc([O-])c([C@@H]2CCC[NH2+]2)c1 ZINC000072201993 187276194 /nfs/dbraw/zinc/27/61/94/187276194.db2.gz OPOSAVIKAUXUHX-JTQLQIEISA-N 0 3 209.314 2.539 10 10 BFCEHN Nc1ccc(Cl)cc1[C@@H]([NH3+])c1ccccc1[O-] ZINC000039367761 358223127 /nfs/dbraw/zinc/22/31/27/358223127.db2.gz HKCTYTQTVVTXBH-ZDUSSCGKSA-N 0 3 248.713 2.676 10 10 BFCEHN N#[N+]C=C([O-])[C@H]1CCC2(C1)CCCCCC2 ZINC000584603585 358262510 /nfs/dbraw/zinc/26/25/10/358262510.db2.gz GWHHMDBCVCBGCC-NSHDSACASA-N 0 3 220.316 2.997 10 10 BFCEHN [O-]c1c(O)cccc1C[NH2+]C[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000104242047 183291692 /nfs/dbraw/zinc/29/16/92/183291692.db2.gz MLQLEVCDTAXPNC-LOWVWBTDSA-N 0 3 247.338 2.624 10 10 BFCEHN [O-]c1ccccc1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000228155700 183301440 /nfs/dbraw/zinc/30/14/40/183301440.db2.gz HDDAXMZVWBMZCO-HIFRSBDPSA-N 0 3 247.338 2.536 10 10 BFCEHN [O-]c1ccccc1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000228155700 183301442 /nfs/dbraw/zinc/30/14/42/183301442.db2.gz HDDAXMZVWBMZCO-HIFRSBDPSA-N 0 3 247.338 2.536 10 10 BFCEHN CCCN([C@@H](C)c1ccccc1[O-])[C@H]1CC[NH2+]C1 ZINC000071314573 169180823 /nfs/dbraw/zinc/18/08/23/169180823.db2.gz OIMWGUKMLHYNLB-STQMWFEESA-N 0 3 248.370 2.527 10 10 BFCEHN CC[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccccc1[O-] ZINC000249728732 386846323 /nfs/dbraw/zinc/84/63/23/386846323.db2.gz WEJSQOCPSZFECS-KCQAQPDRSA-N 0 3 249.354 2.736 10 10 BFCEHN CC(C)(C)Oc1ccc([O-])c([C@H]([NH3+])CF)c1 ZINC000575192089 386978352 /nfs/dbraw/zinc/97/83/52/386978352.db2.gz SAKKBNYQXGJSQJ-SNVBAGLBSA-N 0 3 227.279 2.539 10 10 BFCEHN CC(C)(C)Oc1ccc(O)c([C@H](N)CF)c1 ZINC000575192089 386978355 /nfs/dbraw/zinc/97/83/55/386978355.db2.gz SAKKBNYQXGJSQJ-SNVBAGLBSA-N 0 3 227.279 2.539 10 10 BFCEHN [NH3+][C@H](CCF)c1c([O-])ccc2ccccc21 ZINC000575440026 387127758 /nfs/dbraw/zinc/12/77/58/387127758.db2.gz ZKHQGENGFBVICL-LLVKDONJSA-N 0 3 219.259 2.905 10 10 BFCEHN CC[NH2+]Cc1cc(C(C)(C)C)ccc1[O-] ZINC000082721492 170124175 /nfs/dbraw/zinc/12/41/75/170124175.db2.gz YGPYKRSFQVPDOX-UHFFFAOYSA-N 0 3 207.317 2.799 10 10 BFCEHN CNCc1cc(F)c(N2CC[C@H](C)C2)c(F)c1 ZINC000062711609 173386968 /nfs/dbraw/zinc/38/69/68/173386968.db2.gz ZNRJQAUUSOCUDA-VIFPVBQESA-N 0 3 240.297 2.530 10 10 BFCEHN CNCc1cnc(-c2ccc(N(C)C)cc2)s1 ZINC000040996895 173392138 /nfs/dbraw/zinc/39/21/38/173392138.db2.gz LSFGVYJWUAXYMF-UHFFFAOYSA-N 0 3 247.367 2.596 10 10 BFCEHN COc1ccc([C@@H](C)[NH2+][C@@H](C)C2CC2)c([O-])c1 ZINC000035732870 175177065 /nfs/dbraw/zinc/17/70/65/175177065.db2.gz KRFLUFFPQCQJRS-VHSXEESVSA-N 0 3 235.327 2.850 10 10 BFCEHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)c([O-])c1 ZINC000217616766 583172595 /nfs/dbraw/zinc/17/25/95/583172595.db2.gz YRVXDYJQRCUFAN-YNEHKIRRSA-N 0 3 249.354 2.655 10 10 BFCEHN CC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccccc1[O-] ZINC000052270342 632822190 /nfs/dbraw/zinc/82/21/90/632822190.db2.gz SBQUBICOFVAQLX-ZMLRMANQSA-N 0 3 205.301 2.841 10 10 BFCEHN COC1CC([NH2+][C@H](C)c2ccc(C)cc2[O-])C1 ZINC000230675041 641080929 /nfs/dbraw/zinc/08/09/29/641080929.db2.gz ABUUPCSCFXXVSE-VOMCLLRMSA-N 0 3 235.327 2.529 10 10 BFCEHN Cc1ccc(O)c(CNCc2cccc(C)n2)c1 ZINC000071409090 643143165 /nfs/dbraw/zinc/14/31/65/643143165.db2.gz MLIKNHFCTUWSIJ-UHFFFAOYSA-N 0 3 242.322 2.694 10 10 BFCEHN CC[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccccc1[O-] ZINC000249897299 644743457 /nfs/dbraw/zinc/74/34/57/644743457.db2.gz SBQUBICOFVAQLX-ADEWGFFLSA-N 0 3 205.301 2.841 10 10 BFCEHN CC[C@H]([NH2+]C1CC(COC)C1)c1ccccc1[O-] ZINC000713986090 712476360 /nfs/dbraw/zinc/47/63/60/712476360.db2.gz RVQLWFOIOVHNMH-YIZWMMSDSA-N 0 3 249.354 2.858 10 10 BFCEHN CC[C@@H]([NH2+]C1CC(COC)C1)c1ccccc1[O-] ZINC000713986087 712476678 /nfs/dbraw/zinc/47/66/78/712476678.db2.gz RVQLWFOIOVHNMH-ORHYLEIMSA-N 0 3 249.354 2.858 10 10 BFCEHN Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCO2)c([O-])c1 ZINC000038095886 712808091 /nfs/dbraw/zinc/80/80/91/712808091.db2.gz XJDALQCGBLXXNU-OLZOCXBDSA-N 0 3 249.354 2.920 10 10 BFCEHN Cc1cc(Cl)cc([C@@H]2CCC[NH2+]2)c1[O-] ZINC000238536020 345072443 /nfs/dbraw/zinc/07/24/43/345072443.db2.gz RJHKBRLFRDXJDB-JTQLQIEISA-N 0 3 211.692 2.779 10 10 BFCEHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCOC[C@@H](C)C1 ZINC000377550562 346650890 /nfs/dbraw/zinc/65/08/90/346650890.db2.gz PMVNFTGYVDCZQU-JSGCOSHPSA-N 0 3 249.354 2.812 10 10 BFCEHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCOC[C@@H](C)C1 ZINC000377550562 346650891 /nfs/dbraw/zinc/65/08/91/346650891.db2.gz PMVNFTGYVDCZQU-JSGCOSHPSA-N 0 3 249.354 2.812 10 10 BFCEHN [N-]=[N+]=CC(=O)C(c1ccccc1)c1ccccc1 ZINC000096288841 181208162 /nfs/dbraw/zinc/20/81/62/181208162.db2.gz LSOKHVFNTYTHIV-UHFFFAOYSA-N 0 3 237.282 2.698 10 10 BFCEHN Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H]2C)c([O-])c1 ZINC000134246311 384343286 /nfs/dbraw/zinc/34/32/86/384343286.db2.gz RQSQMPWMSDOTCC-LOWVWBTDSA-N 0 3 235.327 2.529 10 10 BFCEHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCOC2)c([O-])c1 ZINC000103959367 384790635 /nfs/dbraw/zinc/79/06/35/384790635.db2.gz XLYIYKAGLINWEO-NWDGAFQWSA-N 0 3 235.327 2.530 10 10 BFCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2C[C@@H]2C)c1 ZINC000052273043 385271225 /nfs/dbraw/zinc/27/12/25/385271225.db2.gz ZVWYNTPCMRXARP-JBLDHEPKSA-N 0 3 205.301 2.760 10 10 BFCEHN C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccccc1[O-] ZINC000183523231 385767881 /nfs/dbraw/zinc/76/78/81/385767881.db2.gz KNVBCHOZRSZFLE-OUCADQQQSA-N 0 3 249.354 2.594 10 10 BFCEHN C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)c1ccccc1[O-] ZINC000228799676 387116566 /nfs/dbraw/zinc/11/65/66/387116566.db2.gz MYEUKCXCZGDORR-VZJVUDMVSA-N 0 3 247.338 2.610 10 10 BFCEHN Cc1cc(F)cc([C@H]([NH3+])CC(C)C)c1[O-] ZINC000575439469 387123883 /nfs/dbraw/zinc/12/38/83/387123883.db2.gz NDCGDHGQGIUTKE-LLVKDONJSA-N 0 3 211.280 2.886 10 10 BFCEHN CC[C@H](C)[NH2+][C@@H](C)c1cc(O)ccc1[O-] ZINC000019882389 171346275 /nfs/dbraw/zinc/34/62/75/171346275.db2.gz XQKQIKKLYMZIDO-IUCAKERBSA-N 0 3 209.289 2.547 10 10 BFCEHN C[C@@H]([NH2+]CC(C)(C)C)c1cc(O)ccc1[O-] ZINC000040492549 175864387 /nfs/dbraw/zinc/86/43/87/175864387.db2.gz HYZZNGCTXPMSGJ-SECBINFHSA-N 0 3 223.316 2.795 10 10 BFCEHN COCCc1ccc([O-])c([C@H]([NH3+])C(C)(C)C)c1 ZINC000757145250 582527102 /nfs/dbraw/zinc/52/71/02/582527102.db2.gz LCXTVSXVXIBZGJ-ZDUSSCGKSA-N 0 3 237.343 2.627 10 10 BFCEHN C[C@H]([NH2+]Cc1ccccc1[O-])c1cncc(F)c1 ZINC000223051951 583179686 /nfs/dbraw/zinc/17/96/86/583179686.db2.gz FTYHYNMECPQFIQ-JTQLQIEISA-N 0 3 246.285 2.777 10 10 BFCEHN Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)c([O-])c1 ZINC000248535682 635677985 /nfs/dbraw/zinc/67/79/85/635677985.db2.gz YSNBEKJXEGUTRR-YWPYICTPSA-N 0 3 249.354 2.919 10 10 BFCEHN COC1CC([NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000230675037 636604285 /nfs/dbraw/zinc/60/42/85/636604285.db2.gz ABUUPCSCFXXVSE-UNXYVOJBSA-N 0 3 235.327 2.529 10 10 BFCEHN CC[C@H]([NH2+]Cc1ccccc1[O-])[C@H]1C[C@H]1C ZINC000321955069 636783603 /nfs/dbraw/zinc/78/36/03/636783603.db2.gz XODCXXWORYBHBP-WXHSDQCUSA-N 0 3 219.328 2.916 10 10 BFCEHN Cc1cccc(C[NH2+]Cc2ccc(O)cc2)c1[O-] ZINC000083371510 179094292 /nfs/dbraw/zinc/09/42/92/179094292.db2.gz AQDALCLKHAYHGF-UHFFFAOYSA-N 0 3 243.306 2.696 10 10 BFCEHN [O-]c1ccccc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000133467861 183300951 /nfs/dbraw/zinc/30/09/51/183300951.db2.gz HDDAXMZVWBMZCO-ZFWWWQNUSA-N 0 3 247.338 2.536 10 10 BFCEHN [O-]c1ccccc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000133467861 183300954 /nfs/dbraw/zinc/30/09/54/183300954.db2.gz HDDAXMZVWBMZCO-ZFWWWQNUSA-N 0 3 247.338 2.536 10 10 BFCEHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCOC2)c([O-])c1 ZINC000103959364 384790154 /nfs/dbraw/zinc/79/01/54/384790154.db2.gz XLYIYKAGLINWEO-VXGBXAGGSA-N 0 3 235.327 2.530 10 10 BFCEHN Cc1cc(F)cc([C@@H]([NH3+])CC(C)C)c1[O-] ZINC000575438839 387118699 /nfs/dbraw/zinc/11/86/99/387118699.db2.gz NDCGDHGQGIUTKE-NSHDSACASA-N 0 3 211.280 2.886 10 10 BFCEHN CC(C)CC[NH2+][C@@H](C)c1ccc(O)cc1[O-] ZINC000019911993 166864480 /nfs/dbraw/zinc/86/44/80/166864480.db2.gz AUSZRZSSGYDDDY-JTQLQIEISA-N 0 3 223.316 2.795 10 10 BFCEHN CC1([NH2+]Cc2cccc(O)c2[O-])CCCC1 ZINC000042177116 168064141 /nfs/dbraw/zinc/06/41/41/168064141.db2.gz MHUBYRMWYUTKOP-UHFFFAOYSA-N 0 3 221.300 2.520 10 10 BFCEHN CC1([NH2+]Cc2ccc(O)cc2[O-])CCCC1 ZINC000042176403 168064393 /nfs/dbraw/zinc/06/43/93/168064393.db2.gz CWHJCVQBUXCJLJ-UHFFFAOYSA-N 0 3 221.300 2.520 10 10 BFCEHN CCC(=O)c1cc(C(C)(C)C)cc(C[NH3+])c1[O-] ZINC000005818751 168254495 /nfs/dbraw/zinc/25/44/95/168254495.db2.gz PMXICBGNGPDDAW-UHFFFAOYSA-N 0 3 235.327 2.741 10 10 BFCEHN COc1ccc(C[NH2+]Cc2ccccc2)c([O-])c1 ZINC000040905620 175107977 /nfs/dbraw/zinc/10/79/77/175107977.db2.gz YTBBJVGSEWSEPQ-UHFFFAOYSA-N 0 3 243.306 2.691 10 10 BFCEHN C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(O)c1[O-] ZINC000041116399 177083400 /nfs/dbraw/zinc/08/34/00/177083400.db2.gz DCMINFRCJKWJJU-JQWIXIFHSA-N 0 3 235.327 2.766 10 10 BFCEHN C[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2[O-])C[C@H](C)O1 ZINC000282308218 177363322 /nfs/dbraw/zinc/36/33/22/177363322.db2.gz SGBICKWOHJWYQG-CLLJXQQHSA-N 0 3 249.354 2.685 10 10 BFCEHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1cncc(F)c1 ZINC000223051882 583179675 /nfs/dbraw/zinc/17/96/75/583179675.db2.gz FTYHYNMECPQFIQ-SNVBAGLBSA-N 0 3 246.285 2.777 10 10 BFCEHN CC[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccccc1[O-] ZINC000217640469 592148431 /nfs/dbraw/zinc/14/84/31/592148431.db2.gz RSWNZVBIXJSRSP-SCRDCRAPSA-N 0 3 249.354 2.736 10 10 BFCEHN C[C@H]([NH2+]Cc1ccccc1[O-])[C@H]1C[C@H]1C ZINC000322068449 636793649 /nfs/dbraw/zinc/79/36/49/636793649.db2.gz SCFIAYOKWWRGIP-SCVCMEIPSA-N 0 3 205.301 2.526 10 10 BFCEHN Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCO2)c([O-])c1 ZINC000038095887 712807858 /nfs/dbraw/zinc/80/78/58/712807858.db2.gz XJDALQCGBLXXNU-STQMWFEESA-N 0 3 249.354 2.920 10 10 BFCEHN CCOc1cccc([C@@H]2CCCC[NH2+]2)c1[O-] ZINC000309171204 342902979 /nfs/dbraw/zinc/90/29/79/342902979.db2.gz PAHKRWDTLNYQIG-NSHDSACASA-N 0 3 221.300 2.606 10 10 BFCEHN CC[C@@H]([NH2+]Cc1ccccc1[O-])C(C)C ZINC000042584803 344459194 /nfs/dbraw/zinc/45/91/94/344459194.db2.gz CLEKWYCRMAKIJH-GFCCVEGCSA-N 0 3 207.317 2.916 10 10 BFCEHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCOC[C@H](C)C1 ZINC000377550563 346650855 /nfs/dbraw/zinc/65/08/55/346650855.db2.gz PMVNFTGYVDCZQU-OCCSQVGLSA-N 0 3 249.354 2.812 10 10 BFCEHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCOC[C@H](C)C1 ZINC000377550563 346650856 /nfs/dbraw/zinc/65/08/56/346650856.db2.gz PMVNFTGYVDCZQU-OCCSQVGLSA-N 0 3 249.354 2.812 10 10 BFCEHN Oc1ccccc1CN[C@H]1COc2ccccc21 ZINC000070070164 359039978 /nfs/dbraw/zinc/03/99/78/359039978.db2.gz XIINJBSAFOIJOU-ZDUSSCGKSA-N 0 3 241.290 2.616 10 10 BFCEHN [O-]c1ccc(C(F)(F)F)cc1[C@@H]1CCC[NH2+]1 ZINC000072202478 183267752 /nfs/dbraw/zinc/26/77/52/183267752.db2.gz XROCAHQUWMFVBZ-VIFPVBQESA-N 0 3 231.217 2.836 10 10 BFCEHN CCC[C@@H](C)[NH2+][C@H](C)c1cc(O)ccc1[O-] ZINC000019902923 169371366 /nfs/dbraw/zinc/37/13/66/169371366.db2.gz RKKCXSVTNLABKD-NXEZZACHSA-N 0 3 223.316 2.937 10 10 BFCEHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCOC2)c([O-])c1 ZINC000103959377 384791363 /nfs/dbraw/zinc/79/13/63/384791363.db2.gz XLYIYKAGLINWEO-RYUDHWBXSA-N 0 3 235.327 2.530 10 10 BFCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCOC[C@@H](C)C1 ZINC000377550561 385120317 /nfs/dbraw/zinc/12/03/17/385120317.db2.gz PMVNFTGYVDCZQU-GXTWGEPZSA-N 0 3 249.354 2.812 10 10 BFCEHN CC[C@H](c1ccccc1[O-])[N@H+]1CCOC[C@@H](C)C1 ZINC000377550561 385120321 /nfs/dbraw/zinc/12/03/21/385120321.db2.gz PMVNFTGYVDCZQU-GXTWGEPZSA-N 0 3 249.354 2.812 10 10 BFCEHN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H]2C)c1[O-] ZINC000130779055 385285839 /nfs/dbraw/zinc/28/58/39/385285839.db2.gz YBZZJCAISNNKOB-XVKPBYJWSA-N 0 3 241.718 2.552 10 10 BFCEHN C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1ccccc1[O-] ZINC000187283336 387188055 /nfs/dbraw/zinc/18/80/55/387188055.db2.gz NWWHRGQOGUVWMC-XTWPYSKKSA-N 0 3 247.338 2.610 10 10 BFCEHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)[C@@H]1CCCO1 ZINC000295794899 388414713 /nfs/dbraw/zinc/41/47/13/388414713.db2.gz BUNBXFQHOVXTSM-JKOKRWQUSA-N 0 3 247.338 2.537 10 10 BFCEHN CC1=CCN(CCCOc2ccc(N)cc2)CC1 ZINC000075423287 168109506 /nfs/dbraw/zinc/10/95/06/168109506.db2.gz FBOMUSNLCWDVAM-UHFFFAOYSA-N 0 3 246.354 2.690 10 10 BFCEHN CCn1cccc1C[NH2+]Cc1ccccc1[O-] ZINC000228409195 172207233 /nfs/dbraw/zinc/20/72/33/172207233.db2.gz ZLOZJFMMVXYCOP-UHFFFAOYSA-N 0 3 230.311 2.503 10 10 BFCEHN CN(C)c1ccc([C@@H](N)c2cccc(F)c2)cc1 ZINC000041654676 172558525 /nfs/dbraw/zinc/55/85/25/172558525.db2.gz ACVDDEFVWYWRKF-OAHLLOKOSA-N 0 3 244.313 2.940 10 10 BFCEHN COc1ccc(C[NH2+]C2CCCCC2)c([O-])c1 ZINC000040905594 175106187 /nfs/dbraw/zinc/10/61/87/175106187.db2.gz FSGRRFMJFYQHGX-UHFFFAOYSA-N 0 3 235.327 2.823 10 10 BFCEHN COc1ccc([C@@H](C)NCc2ccco2)c(O)c1 ZINC000020084118 175177432 /nfs/dbraw/zinc/17/74/32/175177432.db2.gz GYWDEEIBYLKJKL-SNVBAGLBSA-N 0 3 247.294 2.845 10 10 BFCEHN C[C@@H]([NH2+]Cc1ccc(O)cc1[O-])c1ccccc1 ZINC000019878160 175897934 /nfs/dbraw/zinc/89/79/34/175897934.db2.gz DCMLQNPJWGYSTJ-LLVKDONJSA-N 0 3 243.306 2.949 10 10 BFCEHN C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(O)c1[O-] ZINC000041116403 177088713 /nfs/dbraw/zinc/08/87/13/177088713.db2.gz DCMINFRCJKWJJU-CMPLNLGQSA-N 0 3 235.327 2.766 10 10 BFCEHN COCCc1ccc([O-])c([C@H]([NH3+])CC(C)C)c1 ZINC000757131636 586426443 /nfs/dbraw/zinc/42/64/43/586426443.db2.gz BVFGBMMAKRHIKO-CYBMUJFWSA-N 0 3 237.343 2.627 10 10 BFCEHN [O-]c1cccc2c1[C@H]([NH2+]CC[C@@H]1CCCO1)CC2 ZINC000310845402 633010240 /nfs/dbraw/zinc/01/02/40/633010240.db2.gz LIVPRMQXJYUTHC-QWHCGFSZSA-N 0 3 247.338 2.538 10 10 BFCEHN CC[C@H]([NH3+])c1cc(Br)cc(C)c1[O-] ZINC000095706879 636052856 /nfs/dbraw/zinc/05/28/56/636052856.db2.gz BVWSHECRJQESQH-VIFPVBQESA-N 0 3 244.132 2.873 10 10 BFCEHN Cc1cc(C)c(O)c(CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000125094291 711717263 /nfs/dbraw/zinc/71/72/63/711717263.db2.gz ZUMIQWLWINMRLL-STQMWFEESA-N 0 3 249.354 2.618 10 10 BFCEHN CCOc1cccc([C@H]2CCCC[NH2+]2)c1[O-] ZINC000309504877 343643736 /nfs/dbraw/zinc/64/37/36/343643736.db2.gz PAHKRWDTLNYQIG-LLVKDONJSA-N 0 3 221.300 2.606 10 10 BFCEHN CC(C)[C@H](C)[NH2+][C@@H](C)c1cc(O)ccc1[O-] ZINC000020523074 187936471 /nfs/dbraw/zinc/93/64/71/187936471.db2.gz UZAJQTYXNLNOIP-UWVGGRQHSA-N 0 3 223.316 2.793 10 10 BFCEHN CSc1ccc([O-])c([C@H]2CCC[NH2+]2)c1 ZINC000072201994 188307150 /nfs/dbraw/zinc/30/71/50/188307150.db2.gz OPOSAVIKAUXUHX-SNVBAGLBSA-N 0 3 209.314 2.539 10 10 BFCEHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCCOCC1 ZINC000134187225 358781939 /nfs/dbraw/zinc/78/19/39/358781939.db2.gz QYUPUYURPAQYDJ-ZDUSSCGKSA-N 0 3 235.327 2.566 10 10 BFCEHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCCOCC1 ZINC000134187225 358781942 /nfs/dbraw/zinc/78/19/42/358781942.db2.gz QYUPUYURPAQYDJ-ZDUSSCGKSA-N 0 3 235.327 2.566 10 10 BFCEHN CN[C@@H](C)c1ccc(N(C)C)cc1Cl ZINC000070602681 361588628 /nfs/dbraw/zinc/58/86/28/361588628.db2.gz XZBUJXDWLYTSBL-QMMMGPOBSA-N 0 3 212.724 2.686 10 10 BFCEHN CCCN([C@@H](C)c1ccccc1[O-])[C@@H]1CC[NH2+]C1 ZINC000071314572 169182026 /nfs/dbraw/zinc/18/20/26/169182026.db2.gz OIMWGUKMLHYNLB-QWHCGFSZSA-N 0 3 248.370 2.527 10 10 BFCEHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCOC2)c([O-])c1 ZINC000103959371 384790299 /nfs/dbraw/zinc/79/02/99/384790299.db2.gz XLYIYKAGLINWEO-NEPJUHHUSA-N 0 3 235.327 2.530 10 10 BFCEHN C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccccc1[O-] ZINC000183523270 385768319 /nfs/dbraw/zinc/76/83/19/385768319.db2.gz KNVBCHOZRSZFLE-SCRDCRAPSA-N 0 3 249.354 2.594 10 10 BFCEHN CC(C)(C)Oc1ccc([O-])c([C@@H]([NH3+])CF)c1 ZINC000575192079 386978737 /nfs/dbraw/zinc/97/87/37/386978737.db2.gz SAKKBNYQXGJSQJ-JTQLQIEISA-N 0 3 227.279 2.539 10 10 BFCEHN CC(C)(C)Oc1ccc(O)c([C@@H](N)CF)c1 ZINC000575192079 386978738 /nfs/dbraw/zinc/97/87/38/386978738.db2.gz SAKKBNYQXGJSQJ-JTQLQIEISA-N 0 3 227.279 2.539 10 10 BFCEHN Cc1cc(Cl)cc([C@@H]([NH3+])CCF)c1[O-] ZINC000575440001 387128151 /nfs/dbraw/zinc/12/81/51/387128151.db2.gz YVMSDFYJQUJBIS-VIFPVBQESA-N 0 3 217.671 2.713 10 10 BFCEHN CC[C@H]([NH3+])c1cc(C(F)(F)F)ccc1[O-] ZINC000071445272 388093295 /nfs/dbraw/zinc/09/32/95/388093295.db2.gz PPURKQUFLVPWEL-QMMMGPOBSA-N 0 3 219.206 2.821 10 10 BFCEHN CCCCCOc1ccc(N2CCNCC2)cc1 ZINC000035650785 132338858 /nfs/dbraw/zinc/33/88/58/132338858.db2.gz ROBOHWXORDCYLA-UHFFFAOYSA-N 0 3 248.370 2.665 10 10 BFCEHN C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)c1ccccc1[O-] ZINC000251857043 135078706 /nfs/dbraw/zinc/07/87/06/135078706.db2.gz NWWHRGQOGUVWMC-ZGFBFQLVSA-N 0 3 247.338 2.610 10 10 BFCEHN CC(C)[C@@H](C)[NH2+][C@@H](C)c1cc(O)ccc1[O-] ZINC000020523073 167383995 /nfs/dbraw/zinc/38/39/95/167383995.db2.gz UZAJQTYXNLNOIP-ZJUUUORDSA-N 0 3 223.316 2.793 10 10 BFCEHN CNCc1cc(F)c(N2CC[C@@H](C)C2)c(F)c1 ZINC000062711606 173387123 /nfs/dbraw/zinc/38/71/23/173387123.db2.gz ZNRJQAUUSOCUDA-SECBINFHSA-N 0 3 240.297 2.530 10 10 BFCEHN CNCc1csc(-c2ccc(N(C)C)cc2)n1 ZINC000040999827 173393560 /nfs/dbraw/zinc/39/35/60/173393560.db2.gz LXVOPGQMVVFFTO-UHFFFAOYSA-N 0 3 247.367 2.596 10 10 BFCEHN COc1ccc([C@H](C)NCc2ccco2)c(O)c1 ZINC000020084121 175189771 /nfs/dbraw/zinc/18/97/71/175189771.db2.gz GYWDEEIBYLKJKL-JTQLQIEISA-N 0 3 247.294 2.845 10 10 BFCEHN Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2C)c([O-])c1 ZINC000052271974 632822514 /nfs/dbraw/zinc/82/25/14/632822514.db2.gz JWEHRDPNRSPEHB-NHCYSSNCSA-N 0 3 205.301 2.760 10 10 BFCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2C[C@@H]2C)c1 ZINC000052273047 178804496 /nfs/dbraw/zinc/80/44/96/178804496.db2.gz ZVWYNTPCMRXARP-NHCYSSNCSA-N 0 3 205.301 2.760 10 10 BFCEHN CC[C@@H](c1ccccc1[O-])[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000211637286 357189790 /nfs/dbraw/zinc/18/97/90/357189790.db2.gz HIWBLMCFHPJBIE-SCRDCRAPSA-N 0 3 247.338 2.707 10 10 BFCEHN CC[C@@H](c1ccccc1[O-])[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000211637286 357189791 /nfs/dbraw/zinc/18/97/91/357189791.db2.gz HIWBLMCFHPJBIE-SCRDCRAPSA-N 0 3 247.338 2.707 10 10 BFCEHN [NH3+]Cc1ccc(CC2CCCCC2)cc1[O-] ZINC000095724620 181481779 /nfs/dbraw/zinc/48/17/79/181481779.db2.gz PRJHCQAQTXJWKI-UHFFFAOYSA-N 0 3 219.328 2.974 10 10 BFCEHN CCC[C@@H](C)[NH2+][C@@H](C)c1cc(O)ccc1[O-] ZINC000019902921 169370652 /nfs/dbraw/zinc/37/06/52/169370652.db2.gz RKKCXSVTNLABKD-ZJUUUORDSA-N 0 3 223.316 2.937 10 10 BFCEHN CCC[C@@H]1C[C@H]1[NH2+]Cc1cccc(C)c1[O-] ZINC000133309868 384285857 /nfs/dbraw/zinc/28/58/57/384285857.db2.gz AYEGHTWNUIQXSF-DGCLKSJQSA-N 0 3 219.328 2.979 10 10 BFCEHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H]2C)c([O-])c1 ZINC000251020026 385614947 /nfs/dbraw/zinc/61/49/47/385614947.db2.gz RQSQMPWMSDOTCC-GMXVVIOVSA-N 0 3 235.327 2.529 10 10 BFCEHN CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000226612532 386345842 /nfs/dbraw/zinc/34/58/42/386345842.db2.gz USLOQRYDVQLXSD-BXKDBHETSA-N 0 3 223.291 2.810 10 10 BFCEHN C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)c1ccccc1[O-] ZINC000228799650 387116523 /nfs/dbraw/zinc/11/65/23/387116523.db2.gz MYEUKCXCZGDORR-PSOPSSQASA-N 0 3 247.338 2.610 10 10 BFCEHN C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccccc1[O-] ZINC000252868183 387252540 /nfs/dbraw/zinc/25/25/40/387252540.db2.gz NFDPASJUNDNSKN-NJZAAPMLSA-N 0 3 249.354 2.736 10 10 BFCEHN CCC[C@@H]1C[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000165064160 388250129 /nfs/dbraw/zinc/25/01/29/388250129.db2.gz CMVYVFFONVFQMW-ZYHUDNBSSA-N 0 3 205.301 2.670 10 10 BFCEHN CC(C)OCCN(Cc1ccc(N)cc1)C1CC1 ZINC000049259854 167228566 /nfs/dbraw/zinc/22/85/66/167228566.db2.gz YJYBCDAMQXUTJO-UHFFFAOYSA-N 0 3 248.370 2.658 10 10 BFCEHN CC[C@H](C)[NH2+][C@H](C)c1ccc(O)cc1[O-] ZINC000019882249 171348063 /nfs/dbraw/zinc/34/80/63/171348063.db2.gz UDXBCMQFUWNKGO-DTWKUNHWSA-N 0 3 209.289 2.547 10 10 BFCEHN COc1ccc(O)c(CN[C@@H](C)c2ccco2)c1 ZINC000035738577 175159560 /nfs/dbraw/zinc/15/95/60/175159560.db2.gz VOFAHPGVGJANOX-JTQLQIEISA-N 0 3 247.294 2.845 10 10 BFCEHN COc1ccc([C@H](C)[NH2+][C@@H](C)C2CC2)c([O-])c1 ZINC000035732869 175189670 /nfs/dbraw/zinc/18/96/70/175189670.db2.gz KRFLUFFPQCQJRS-UWVGGRQHSA-N 0 3 235.327 2.850 10 10 BFCEHN Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)c([O-])c1 ZINC000217616930 592142853 /nfs/dbraw/zinc/14/28/53/592142853.db2.gz YRVXDYJQRCUFAN-RWMBFGLXSA-N 0 3 249.354 2.655 10 10 BFCEHN CSC1CC([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000708290745 712185753 /nfs/dbraw/zinc/18/57/53/712185753.db2.gz WVFQDZABPHZCFH-MCIGGMRASA-N 0 3 249.379 2.863 10 10 BFCEHN CCC(CC)[NH2+][C@H](C)c1ccc(O)cc1[O-] ZINC000019883909 168393142 /nfs/dbraw/zinc/39/31/42/168393142.db2.gz QTSMYPCWLMAISM-SECBINFHSA-N 0 3 223.316 2.937 10 10 BFCEHN Nc1ccc(CNCc2ccccc2)cc1 ZINC000040409678 343401834 /nfs/dbraw/zinc/40/18/34/343401834.db2.gz ZMYAUMSMXFWBFP-UHFFFAOYSA-N 0 3 212.296 2.559 10 10 BFCEHN CCCc1cc(CC)c2c(c1[O-])[C@@H]([NH3+])CC2 ZINC000026167507 344128638 /nfs/dbraw/zinc/12/86/38/344128638.db2.gz PLSSOTGNSOLYTA-LBPRGKRZSA-N 0 3 219.328 2.853 10 10 BFCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCC[C@H]2O)c1 ZINC000249723873 178805669 /nfs/dbraw/zinc/80/56/69/178805669.db2.gz FSAIBAAZVDIQDU-CORIIIEPSA-N 0 3 249.354 2.655 10 10 BFCEHN [O-]c1c(O)cccc1C[NH2+]C[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000104242051 183291839 /nfs/dbraw/zinc/29/18/39/183291839.db2.gz MLQLEVCDTAXPNC-DMDPSCGWSA-N 0 3 247.338 2.624 10 10 BFCEHN [O-]c1ccccc1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000228155689 183301376 /nfs/dbraw/zinc/30/13/76/183301376.db2.gz HDDAXMZVWBMZCO-UKRRQHHQSA-N 0 3 247.338 2.536 10 10 BFCEHN [O-]c1ccccc1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000228155689 183301378 /nfs/dbraw/zinc/30/13/78/183301378.db2.gz HDDAXMZVWBMZCO-UKRRQHHQSA-N 0 3 247.338 2.536 10 10 BFCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000035628966 383866352 /nfs/dbraw/zinc/86/63/52/383866352.db2.gz FFRVRWRVIAHEOR-HUBLWGQQSA-N 0 3 249.354 2.919 10 10 BFCEHN C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cc(F)ccc1[O-] ZINC000087111402 384738264 /nfs/dbraw/zinc/73/82/64/384738264.db2.gz DDVQUEUQGLOFDZ-DKCNOQQISA-N 0 3 209.264 2.590 10 10 BFCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCOC[C@H](C)C1 ZINC000377550564 385120380 /nfs/dbraw/zinc/12/03/80/385120380.db2.gz PMVNFTGYVDCZQU-TZMCWYRMSA-N 0 3 249.354 2.812 10 10 BFCEHN CC[C@H](c1ccccc1[O-])[N@H+]1CCOC[C@H](C)C1 ZINC000377550564 385120386 /nfs/dbraw/zinc/12/03/86/385120386.db2.gz PMVNFTGYVDCZQU-TZMCWYRMSA-N 0 3 249.354 2.812 10 10 BFCEHN CC[C@@H]([NH3+])c1c([O-])ccc2ccccc21 ZINC000035068463 386975234 /nfs/dbraw/zinc/97/52/34/386975234.db2.gz KYIDHVQLJMZGNK-LLVKDONJSA-N 0 3 201.269 2.955 10 10 BFCEHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)[C@@H]1CCCO1 ZINC000295794902 388414135 /nfs/dbraw/zinc/41/41/35/388414135.db2.gz BUNBXFQHOVXTSM-SUHUHFCYSA-N 0 3 247.338 2.537 10 10 BFCEHN CCCCCN1CCN(c2ccc(N)cc2)CC1 ZINC000008030941 132318544 /nfs/dbraw/zinc/31/85/44/132318544.db2.gz MBBDQXGGFREGSO-UHFFFAOYSA-N 0 3 247.386 2.581 10 10 BFCEHN C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1ccccc1[O-] ZINC000251857042 135078693 /nfs/dbraw/zinc/07/86/93/135078693.db2.gz NWWHRGQOGUVWMC-MUYACECFSA-N 0 3 247.338 2.610 10 10 BFCEHN COc1ccc(O)c(CN[C@H](C)c2ccco2)c1 ZINC000035738579 175159003 /nfs/dbraw/zinc/15/90/03/175159003.db2.gz VOFAHPGVGJANOX-SNVBAGLBSA-N 0 3 247.294 2.845 10 10 BFCEHN COc1ccc([C@@H](C)[NH2+][C@H](C)C2CC2)c([O-])c1 ZINC000035732872 175177594 /nfs/dbraw/zinc/17/75/94/175177594.db2.gz KRFLUFFPQCQJRS-NXEZZACHSA-N 0 3 235.327 2.850 10 10 BFCEHN CCC[C@H]([NH3+])c1cc(Cl)cc(OC)c1[O-] ZINC000757145856 582528681 /nfs/dbraw/zinc/52/86/81/582528681.db2.gz QCSHYAAAPWTBTB-VIFPVBQESA-N 0 3 229.707 2.854 10 10 BFCEHN COc1cc(Cl)cc([C@H]([NH3+])C(C)C)c1[O-] ZINC000757133788 586427285 /nfs/dbraw/zinc/42/72/85/586427285.db2.gz XQPCXNFZEZRXEE-SNVBAGLBSA-N 0 3 229.707 2.710 10 10 BFCEHN Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)c([O-])c1 ZINC000248535681 635678476 /nfs/dbraw/zinc/67/84/76/635678476.db2.gz YSNBEKJXEGUTRR-SLEUVZQESA-N 0 3 249.354 2.919 10 10 BFCEHN CC[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccccc1[O-] ZINC000052270347 632823048 /nfs/dbraw/zinc/82/30/48/632823048.db2.gz SBQUBICOFVAQLX-DLOVCJGASA-N 0 3 205.301 2.841 10 10 BFCEHN CC[C@H]([NH2+]Cc1ccccc1[O-])[C@@H]1C[C@@H]1C ZINC000321955068 636783716 /nfs/dbraw/zinc/78/37/16/636783716.db2.gz XODCXXWORYBHBP-UHTWSYAYSA-N 0 3 219.328 2.916 10 10 BFCEHN CC(C)c1ccccc1CCC([O-])=C[N+]#N ZINC000147186994 346005166 /nfs/dbraw/zinc/00/51/66/346005166.db2.gz GMUGZOXMLMELEQ-UHFFFAOYSA-N 0 3 216.284 2.612 10 10 BFCEHN CC(C)[C@H](C)[NH2+][C@H](C)c1cc(O)ccc1[O-] ZINC000020523078 188282454 /nfs/dbraw/zinc/28/24/54/188282454.db2.gz UZAJQTYXNLNOIP-VHSXEESVSA-N 0 3 223.316 2.793 10 10 BFCEHN C[C@H]1CC(C[NH2+]Cc2ccccc2[O-])C[C@H](C)O1 ZINC000282308225 188384577 /nfs/dbraw/zinc/38/45/77/188384577.db2.gz SGBICKWOHJWYQG-RYUDHWBXSA-N 0 3 249.354 2.685 10 10 BFCEHN C[C@@H]1CC(C[NH2+]Cc2ccccc2[O-])C[C@@H](C)O1 ZINC000282308230 188384937 /nfs/dbraw/zinc/38/49/37/188384937.db2.gz SGBICKWOHJWYQG-VXGBXAGGSA-N 0 3 249.354 2.685 10 10 BFCEHN CCC[C@@H]1C[C@H]1[NH2+]Cc1cccc(OC)c1[O-] ZINC000231675719 353642543 /nfs/dbraw/zinc/64/25/43/353642543.db2.gz YKIQZVJQEUDEEO-ZYHUDNBSSA-N 0 3 235.327 2.679 10 10 BFCEHN Oc1ccccc1CN[C@@H]1COc2ccccc21 ZINC000070070163 359040405 /nfs/dbraw/zinc/04/04/05/359040405.db2.gz XIINJBSAFOIJOU-CYBMUJFWSA-N 0 3 241.290 2.616 10 10 BFCEHN [O-]c1ccc(F)cc1[C@@H]1CCCCC[NH2+]1 ZINC000075868613 183275546 /nfs/dbraw/zinc/27/55/46/183275546.db2.gz DRIKAWLQIMXINS-NSHDSACASA-N 0 3 209.264 2.736 10 10 BFCEHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C)c([O-])c1 ZINC000134246272 384343300 /nfs/dbraw/zinc/34/33/00/384343300.db2.gz RQSQMPWMSDOTCC-DMDPSCGWSA-N 0 3 235.327 2.529 10 10 BFCEHN C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)c1ccccc1[O-] ZINC000300417760 386594425 /nfs/dbraw/zinc/59/44/25/386594425.db2.gz MYEUKCXCZGDORR-XEGUGMAKSA-N 0 3 247.338 2.610 10 10 BFCEHN [NH3+][C@@H](CCF)c1c([O-])ccc2ccccc21 ZINC000575440027 387128124 /nfs/dbraw/zinc/12/81/24/387128124.db2.gz ZKHQGENGFBVICL-NSHDSACASA-N 0 3 219.259 2.905 10 10 BFCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCO[C@H]2C)c1 ZINC000251180430 387185934 /nfs/dbraw/zinc/18/59/34/387185934.db2.gz VZTGJYWLBIFCSJ-GVXVVHGQSA-N 0 3 235.327 2.529 10 10 BFCEHN CN(Cc1cccs1)Cc1ccc(N)cc1 ZINC000035360450 172854155 /nfs/dbraw/zinc/85/41/55/172854155.db2.gz ZUVRGGLRKZPHMS-UHFFFAOYSA-N 0 3 232.352 2.962 10 10 BFCEHN COc1ccc(CN[C@@H](C)c2ccco2)c(O)c1 ZINC000042372704 175109092 /nfs/dbraw/zinc/10/90/92/175109092.db2.gz VOSPJLOWIJWYSG-JTQLQIEISA-N 0 3 247.294 2.845 10 10 BFCEHN COc1ccc([C@H](C)[NH2+][C@H](C)C2CC2)c([O-])c1 ZINC000035732871 175189706 /nfs/dbraw/zinc/18/97/06/175189706.db2.gz KRFLUFFPQCQJRS-ZJUUUORDSA-N 0 3 235.327 2.850 10 10 BFCEHN COc1cccc(CN[C@@H](C)c2ccco2)c1O ZINC000035738995 175267035 /nfs/dbraw/zinc/26/70/35/175267035.db2.gz XCLGMLCHBXVMCA-JTQLQIEISA-N 0 3 247.294 2.845 10 10 BFCEHN C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(O)cc1[O-] ZINC000019945215 176081002 /nfs/dbraw/zinc/08/10/02/176081002.db2.gz HMYOQRZLTJOFSP-MFKMUULPSA-N 0 3 235.327 2.766 10 10 BFCEHN COCCc1ccc([O-])c([C@@H]([NH3+])C(C)(C)C)c1 ZINC000757145245 582526917 /nfs/dbraw/zinc/52/69/17/582526917.db2.gz LCXTVSXVXIBZGJ-CYBMUJFWSA-N 0 3 237.343 2.627 10 10 BFCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)c1 ZINC000248747672 178805210 /nfs/dbraw/zinc/80/52/10/178805210.db2.gz FFRVRWRVIAHEOR-YWPYICTPSA-N 0 3 249.354 2.919 10 10 BFCEHN Cc1cccc(C[NH2+][C@H](C)C(C)C)c1[O-] ZINC000162823849 179099438 /nfs/dbraw/zinc/09/94/38/179099438.db2.gz MDBWNQMRNKTGDC-LLVKDONJSA-N 0 3 207.317 2.835 10 10 BFCEHN CCCc1cc(CC)c2c(c1[O-])[C@H]([NH3+])CC2 ZINC000026167502 350271783 /nfs/dbraw/zinc/27/17/83/350271783.db2.gz PLSSOTGNSOLYTA-GFCCVEGCSA-N 0 3 219.328 2.853 10 10 BFCEHN Oc1cccc(CNCc2cccc(F)c2)c1O ZINC000041116749 183291079 /nfs/dbraw/zinc/29/10/79/183291079.db2.gz ZNFNMRNNPWYVKB-UHFFFAOYSA-N 0 3 247.269 2.527 10 10 BFCEHN CCC[C@@H](C)[NH2+][C@H](C)c1ccc(O)cc1[O-] ZINC000019902844 169371640 /nfs/dbraw/zinc/37/16/40/169371640.db2.gz IHLYEORHHDJLOW-NXEZZACHSA-N 0 3 223.316 2.937 10 10 BFCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCO[C@H]2C)c1 ZINC000251180427 387186526 /nfs/dbraw/zinc/18/65/26/387186526.db2.gz VZTGJYWLBIFCSJ-GMXVVIOVSA-N 0 3 235.327 2.529 10 10 BFCEHN CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(O)cc1[O-] ZINC000020523183 167383827 /nfs/dbraw/zinc/38/38/27/167383827.db2.gz PRXBRBPKBNIMON-ZJUUUORDSA-N 0 3 223.316 2.793 10 10 BFCEHN CC1(C[NH2+]Cc2cccc(O)c2[O-])CCCC1 ZINC000104434996 168043515 /nfs/dbraw/zinc/04/35/15/168043515.db2.gz RTWQIESZXUASCF-UHFFFAOYSA-N 0 3 235.327 2.768 10 10 BFCEHN CNCc1cc(F)c(N(C)C(C)C)c(F)c1 ZINC000062709503 173387167 /nfs/dbraw/zinc/38/71/67/173387167.db2.gz JKUDOEKTQUDEII-UHFFFAOYSA-N 0 3 228.286 2.529 10 10 BFCEHN COc1cccc(CN[C@H](C)c2ccco2)c1O ZINC000035738996 175267837 /nfs/dbraw/zinc/26/78/37/175267837.db2.gz XCLGMLCHBXVMCA-SNVBAGLBSA-N 0 3 247.294 2.845 10 10 BFCEHN CC[C@@H]([NH3+])c1cc(Br)cc(C)c1[O-] ZINC000095716986 636053365 /nfs/dbraw/zinc/05/33/65/636053365.db2.gz BVWSHECRJQESQH-SECBINFHSA-N 0 3 244.132 2.873 10 10 BFCEHN COCC1CC([NH2+][C@H](C)c2ccc(C)cc2[O-])C1 ZINC000713987573 712476509 /nfs/dbraw/zinc/47/65/09/712476509.db2.gz ZUONBMRVEBYEJG-PNESKVBLSA-N 0 3 249.354 2.776 10 10 BFCEHN CC[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1ccccc1[O-] ZINC000037165198 712549623 /nfs/dbraw/zinc/54/96/23/712549623.db2.gz RSWNZVBIXJSRSP-OBJOEFQTSA-N 0 3 249.354 2.736 10 10 BFCEHN [O-]c1ccccc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000133468058 183301412 /nfs/dbraw/zinc/30/14/12/183301412.db2.gz HDDAXMZVWBMZCO-DZGCQCFKSA-N 0 3 247.338 2.536 10 10 BFCEHN [O-]c1ccccc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000133468058 183301414 /nfs/dbraw/zinc/30/14/14/183301414.db2.gz HDDAXMZVWBMZCO-DZGCQCFKSA-N 0 3 247.338 2.536 10 10 BFCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCO[C@@H]2C)c1 ZINC000134237995 384340451 /nfs/dbraw/zinc/34/04/51/384340451.db2.gz VZTGJYWLBIFCSJ-LOWVWBTDSA-N 0 3 235.327 2.529 10 10 BFCEHN CC[C@H]([NH3+])c1c([O-])ccc2ccccc21 ZINC000035068461 386975612 /nfs/dbraw/zinc/97/56/12/386975612.db2.gz KYIDHVQLJMZGNK-NSHDSACASA-N 0 3 201.269 2.955 10 10 BFCEHN CCCCOc1ccc(N2CCNCC2)cc1C ZINC000063063271 132388448 /nfs/dbraw/zinc/38/84/48/132388448.db2.gz NNCATKKVDPTVQF-UHFFFAOYSA-N 0 3 248.370 2.584 10 10 BFCEHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCCO[C@@H](C)C1 ZINC000217863134 134250357 /nfs/dbraw/zinc/25/03/57/134250357.db2.gz ZPXYMBQJHNFFEH-JSGCOSHPSA-N 0 3 249.354 2.954 10 10 BFCEHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCCO[C@@H](C)C1 ZINC000217863134 134250358 /nfs/dbraw/zinc/25/03/58/134250358.db2.gz ZPXYMBQJHNFFEH-JSGCOSHPSA-N 0 3 249.354 2.954 10 10 BFCEHN CC[C@H](C)[NH2+][C@H](C)c1cc(O)ccc1[O-] ZINC000019882395 171347905 /nfs/dbraw/zinc/34/79/05/171347905.db2.gz XQKQIKKLYMZIDO-DTWKUNHWSA-N 0 3 209.289 2.547 10 10 BFCEHN C[C@H](CN1CCCC1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000042597412 176910776 /nfs/dbraw/zinc/91/07/76/176910776.db2.gz HWJKCUMGVLQDDQ-OLZOCXBDSA-N 0 3 248.370 2.527 10 10 BFCEHN C[C@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])CC1 ZINC000106216842 177193649 /nfs/dbraw/zinc/19/36/49/177193649.db2.gz SXFDMAYARJPDAX-UMSPYCQHSA-N 0 3 235.327 2.766 10 10 BFCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)c1 ZINC000217678305 583172633 /nfs/dbraw/zinc/17/26/33/583172633.db2.gz JHVHSMOVCQNNMN-RWMBFGLXSA-N 0 3 249.354 2.655 10 10 BFCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)c1 ZINC000217678136 592148675 /nfs/dbraw/zinc/14/86/75/592148675.db2.gz JHVHSMOVCQNNMN-YNEHKIRRSA-N 0 3 249.354 2.655 10 10 BFCEHN Cc1cc(Cl)cc([C@H]([NH3+])C2CC2)c1[O-] ZINC000095780192 635490748 /nfs/dbraw/zinc/49/07/48/635490748.db2.gz YSRZVHHKGIXCPF-SNVBAGLBSA-N 0 3 211.692 2.764 10 10 BFCEHN Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](O)C2)c([O-])c1 ZINC000037163357 712549843 /nfs/dbraw/zinc/54/98/43/712549843.db2.gz YRVXDYJQRCUFAN-AVGNSLFASA-N 0 3 249.354 2.655 10 10 BFCEHN Cc1ccccc1C[NH2+]Cc1cccc(O)c1[O-] ZINC000041117687 179283552 /nfs/dbraw/zinc/28/35/52/179283552.db2.gz HSMYVTRZQWZRLY-UHFFFAOYSA-N 0 3 243.306 2.696 10 10 BFCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCCOCC1 ZINC000134187404 358781589 /nfs/dbraw/zinc/78/15/89/358781589.db2.gz QYUPUYURPAQYDJ-CYBMUJFWSA-N 0 3 235.327 2.566 10 10 BFCEHN CC[C@H](c1ccccc1[O-])[N@H+]1CCCOCC1 ZINC000134187404 358781591 /nfs/dbraw/zinc/78/15/91/358781591.db2.gz QYUPUYURPAQYDJ-CYBMUJFWSA-N 0 3 235.327 2.566 10 10 BFCEHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCCO[C@H](C)C1 ZINC000134150891 358781973 /nfs/dbraw/zinc/78/19/73/358781973.db2.gz ZPXYMBQJHNFFEH-OCCSQVGLSA-N 0 3 249.354 2.954 10 10 BFCEHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCCO[C@H](C)C1 ZINC000134150891 358781975 /nfs/dbraw/zinc/78/19/75/358781975.db2.gz ZPXYMBQJHNFFEH-OCCSQVGLSA-N 0 3 249.354 2.954 10 10 BFCEHN CCCc1cc(C[NH3+])c([O-])c(CCC)c1 ZINC000002005349 359690506 /nfs/dbraw/zinc/69/05/06/359690506.db2.gz WLGAXACUKYLTQN-UHFFFAOYSA-N 0 3 207.317 2.756 10 10 BFCEHN CN[C@H](C)c1ccc(N(C)C)cc1Cl ZINC000070602682 361588642 /nfs/dbraw/zinc/58/86/42/361588642.db2.gz XZBUJXDWLYTSBL-MRVPVSSYSA-N 0 3 212.724 2.686 10 10 BFCEHN C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cc(F)ccc1[O-] ZINC000087111400 384738737 /nfs/dbraw/zinc/73/87/37/384738737.db2.gz DDVQUEUQGLOFDZ-LAEOZQHASA-N 0 3 209.264 2.590 10 10 BFCEHN COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H]2C)c1[O-] ZINC000130779247 385286480 /nfs/dbraw/zinc/28/64/80/385286480.db2.gz YBZZJCAISNNKOB-GMSGAONNSA-N 0 3 241.718 2.552 10 10 BFCEHN Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H]2C)c([O-])c1 ZINC000251020030 385613243 /nfs/dbraw/zinc/61/32/43/385613243.db2.gz RQSQMPWMSDOTCC-GVXVVHGQSA-N 0 3 235.327 2.529 10 10 BFCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)c1 ZINC000248747668 387140533 /nfs/dbraw/zinc/14/05/33/387140533.db2.gz FFRVRWRVIAHEOR-SLEUVZQESA-N 0 3 249.354 2.919 10 10 BFCEHN COc1cc(Cl)cc([C@@H]([NH3+])C(C)C)c1[O-] ZINC000757133783 586427083 /nfs/dbraw/zinc/42/70/83/586427083.db2.gz XQPCXNFZEZRXEE-JTQLQIEISA-N 0 3 229.707 2.710 10 10 BFCEHN Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)c([O-])c1 ZINC000020208725 590086098 /nfs/dbraw/zinc/08/60/98/590086098.db2.gz YSNBEKJXEGUTRR-HUBLWGQQSA-N 0 3 249.354 2.919 10 10 BFCEHN CC[C@H]([NH2+]Cc1ccccc1[O-])[C@H]1C[C@@H]1C ZINC000321955066 636783811 /nfs/dbraw/zinc/78/38/11/636783811.db2.gz XODCXXWORYBHBP-DRZSPHRISA-N 0 3 219.328 2.916 10 10 BFCEHN CSC1CC([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000708290742 712185639 /nfs/dbraw/zinc/18/56/39/712185639.db2.gz WVFQDZABPHZCFH-HTAVTVPLSA-N 0 3 249.379 2.863 10 10 BFCEHN Nc1cccc2c(N)c3ccccc3nc12 ZINC000139343714 361758578 /nfs/dbraw/zinc/75/85/78/361758578.db2.gz GMEWCSYWIUXOPR-UHFFFAOYSA-N 0 3 209.252 2.552 10 10 BFCEHN CCC(CC)[NH2+][C@@H](C)c1ccc(O)cc1[O-] ZINC000019883907 168391517 /nfs/dbraw/zinc/39/15/17/168391517.db2.gz QTSMYPCWLMAISM-VIFPVBQESA-N 0 3 223.316 2.937 10 10 BFCEHN CCOc1cccc(C[NH2+][C@@H](C)C(C)C)c1[O-] ZINC000020523217 342989509 /nfs/dbraw/zinc/98/95/09/342989509.db2.gz IQLFTVZYPLJGFJ-NSHDSACASA-N 0 3 237.343 2.925 10 10 BFCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2C[C@H]2C)c1 ZINC000249925765 178805528 /nfs/dbraw/zinc/80/55/28/178805528.db2.gz ZVWYNTPCMRXARP-SCVCMEIPSA-N 0 3 205.301 2.760 10 10 BFCEHN [O-]c1ccc(C(F)(F)F)cc1[C@H]1CCC[NH2+]1 ZINC000072202479 183267307 /nfs/dbraw/zinc/26/73/07/183267307.db2.gz XROCAHQUWMFVBZ-SECBINFHSA-N 0 3 231.217 2.836 10 10 BFCEHN CCCN1CCC=C(c2ccc(O)c(O)c2)C1 ZINC000033885193 169191329 /nfs/dbraw/zinc/19/13/29/169191329.db2.gz LZLHHGMZVHHARG-UHFFFAOYSA-N 0 3 233.311 2.597 10 10 BFCEHN Cc1ccc([O-])c(C[N@@H+]2CCS[C@@H](C)C2)c1 ZINC000131404480 385330550 /nfs/dbraw/zinc/33/05/50/385330550.db2.gz HBHHCDIRTNVBLK-NSHDSACASA-N 0 3 237.368 2.638 10 10 BFCEHN Cc1ccc([O-])c(C[N@H+]2CCS[C@@H](C)C2)c1 ZINC000131404480 385330553 /nfs/dbraw/zinc/33/05/53/385330553.db2.gz HBHHCDIRTNVBLK-NSHDSACASA-N 0 3 237.368 2.638 10 10 BFCEHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)[C@H]1CCCO1 ZINC000295794906 388415051 /nfs/dbraw/zinc/41/50/51/388415051.db2.gz BUNBXFQHOVXTSM-ZKYQVNSYSA-N 0 3 247.338 2.537 10 10 BFCEHN C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccccc1[O-] ZINC000251857041 135079337 /nfs/dbraw/zinc/07/93/37/135079337.db2.gz NWWHRGQOGUVWMC-DNVSUFBTSA-N 0 3 247.338 2.610 10 10 BFCEHN C[NH2+][C@H](c1ccccc1)c1ccc(OC)cc1[O-] ZINC000022143353 173457354 /nfs/dbraw/zinc/45/73/54/173457354.db2.gz VNVNTUIZUSGTRZ-OAHLLOKOSA-N 0 3 243.306 2.710 10 10 BFCEHN COc1ccc(C[NH2+]Cc2cccs2)c([O-])c1 ZINC000040905956 175107975 /nfs/dbraw/zinc/10/79/75/175107975.db2.gz LWJRAHSWOPNWAY-UHFFFAOYSA-N 0 3 249.335 2.752 10 10 BFCEHN C[C@@H]([NH2+]CC(C)(C)C)c1ccc(O)cc1[O-] ZINC000040492515 175864012 /nfs/dbraw/zinc/86/40/12/175864012.db2.gz QVPNOASNSUNJHF-SECBINFHSA-N 0 3 223.316 2.795 10 10 BFCEHN C[C@H]1CC[C@@H]([NH2+]Cc2cccc(O)c2[O-])CC1 ZINC000106216849 177193086 /nfs/dbraw/zinc/19/30/86/177193086.db2.gz OZTQCPDRSLLLEX-UMSPYCQHSA-N 0 3 235.327 2.766 10 10 BFCEHN [O-]c1cccc2c1[C@@H]([NH2+]CC[C@@H]1CCCO1)CC2 ZINC000310845403 633010533 /nfs/dbraw/zinc/01/05/33/633010533.db2.gz LIVPRMQXJYUTHC-STQMWFEESA-N 0 3 247.338 2.538 10 10 BFCEHN CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000040502176 633817213 /nfs/dbraw/zinc/81/72/13/633817213.db2.gz GAXWKJCTNBUXGN-QWHCGFSZSA-N 0 3 248.370 2.527 10 10 BFCEHN CC[C@H]([NH2+]Cc1ccccc1[O-])[C@@H]1C[C@H]1C ZINC000321955067 636783627 /nfs/dbraw/zinc/78/36/27/636783627.db2.gz XODCXXWORYBHBP-RTXFEEFZSA-N 0 3 219.328 2.916 10 10 BFCEHN C[C@@H]([NH2+]Cc1ccccc1[O-])[C@H]1C[C@H]1C ZINC000322068446 636794097 /nfs/dbraw/zinc/79/40/97/636794097.db2.gz SCFIAYOKWWRGIP-FOGDFJRCSA-N 0 3 205.301 2.526 10 10 BFCEHN Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H]2C)c([O-])c1 ZINC000249871108 644743610 /nfs/dbraw/zinc/74/36/10/644743610.db2.gz JWEHRDPNRSPEHB-SCVCMEIPSA-N 0 3 205.301 2.760 10 10 BFCEHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](O)C2)c([O-])c1 ZINC000037163351 712549756 /nfs/dbraw/zinc/54/97/56/712549756.db2.gz YRVXDYJQRCUFAN-XQQFMLRXSA-N 0 3 249.354 2.655 10 10 BFCEHN Cc1ccc(C[NH2+]Cc2ccc(O)cc2[O-])s1 ZINC000050225177 178615301 /nfs/dbraw/zinc/61/53/01/178615301.db2.gz SKXQQUKICYXZKP-UHFFFAOYSA-N 0 3 249.335 2.758 10 10 BFCEHN CC[C@H]([NH2+]Cc1ccccc1[O-])C(C)C ZINC000042584800 344459265 /nfs/dbraw/zinc/45/92/65/344459265.db2.gz CLEKWYCRMAKIJH-LBPRGKRZSA-N 0 3 207.317 2.916 10 10 BFCEHN Cc1ccccc1CNCc1ccc(O)c(O)c1 ZINC000037487168 179282886 /nfs/dbraw/zinc/28/28/86/179282886.db2.gz ODSPKPHUOCABLT-UHFFFAOYSA-N 0 3 243.306 2.696 10 10 BFCEHN C=COCCC[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000035628937 188111431 /nfs/dbraw/zinc/11/14/31/188111431.db2.gz JJJPBAMPYBUBQL-GFCCVEGCSA-N 0 3 235.327 2.901 10 10 BFCEHN COc1ccc([C@@H](C)[NH2+]C2CCC2)c([O-])c1 ZINC000052207563 188126298 /nfs/dbraw/zinc/12/62/98/188126298.db2.gz RLUPZRDPNQRTDK-SECBINFHSA-N 0 3 221.300 2.604 10 10 BFCEHN N#[N+]C=C([O-])[C@@H]1CCC2(C1)CCCCCC2 ZINC000584603584 358262496 /nfs/dbraw/zinc/26/24/96/358262496.db2.gz GWHHMDBCVCBGCC-LLVKDONJSA-N 0 3 220.316 2.997 10 10 BFCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCCO[C@H](C)C1 ZINC000134151065 358782119 /nfs/dbraw/zinc/78/21/19/358782119.db2.gz ZPXYMBQJHNFFEH-TZMCWYRMSA-N 0 3 249.354 2.954 10 10 BFCEHN CC[C@H](c1ccccc1[O-])[N@H+]1CCCO[C@H](C)C1 ZINC000134151065 358782122 /nfs/dbraw/zinc/78/21/22/358782122.db2.gz ZPXYMBQJHNFFEH-TZMCWYRMSA-N 0 3 249.354 2.954 10 10 BFCEHN Nc1c2ccccc2nc2ccc([N+](=O)[O-])cc12 ZINC000006117617 369031954 /nfs/dbraw/zinc/03/19/54/369031954.db2.gz QFSMBYCXODQZJA-UHFFFAOYSA-N 0 3 239.234 2.878 10 10 BFCEHN [O-]c1ccc(F)cc1[C@H]1CCCCC[NH2+]1 ZINC000075868614 183274834 /nfs/dbraw/zinc/27/48/34/183274834.db2.gz DRIKAWLQIMXINS-LLVKDONJSA-N 0 3 209.264 2.736 10 10 BFCEHN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H]2C)c1[O-] ZINC000130778853 385284319 /nfs/dbraw/zinc/28/43/19/385284319.db2.gz YBZZJCAISNNKOB-XCBNKYQSSA-N 0 3 241.718 2.552 10 10 BFCEHN COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H]2C)c1[O-] ZINC000130779442 385285816 /nfs/dbraw/zinc/28/58/16/385285816.db2.gz YBZZJCAISNNKOB-OIBJUYFYSA-N 0 3 241.718 2.552 10 10 BFCEHN CC[C@@H]([NH3+])c1cc(C(F)(F)F)ccc1[O-] ZINC000071445273 388093441 /nfs/dbraw/zinc/09/34/41/388093441.db2.gz PPURKQUFLVPWEL-MRVPVSSYSA-N 0 3 219.206 2.821 10 10 BFCEHN C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(O)c1[O-] ZINC000041116397 176081076 /nfs/dbraw/zinc/08/10/76/176081076.db2.gz DCMINFRCJKWJJU-PWSUYJOCSA-N 0 3 235.327 2.766 10 10 BFCEHN C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(O)cc1[O-] ZINC000019945224 177088872 /nfs/dbraw/zinc/08/88/72/177088872.db2.gz HMYOQRZLTJOFSP-GXFFZTMASA-N 0 3 235.327 2.766 10 10 BFCEHN Cc1cc([O-])c([C@@H](C)[NH3+])c(C)c1Br ZINC000095717473 635485556 /nfs/dbraw/zinc/48/55/56/635485556.db2.gz YAIRIJARINKUIA-SSDOTTSWSA-N 0 3 244.132 2.791 10 10 BFCEHN Cc1cc(Cl)cc([C@@H]([NH3+])C2CC2)c1[O-] ZINC000095768713 635489957 /nfs/dbraw/zinc/48/99/57/635489957.db2.gz YSRZVHHKGIXCPF-JTQLQIEISA-N 0 3 211.692 2.764 10 10 BFCEHN Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)c([O-])c1 ZINC000052271970 632822196 /nfs/dbraw/zinc/82/21/96/632822196.db2.gz JWEHRDPNRSPEHB-JBLDHEPKSA-N 0 3 205.301 2.760 10 10 BFCEHN Cc1cc(C)c(O)c(CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000125094066 711716986 /nfs/dbraw/zinc/71/69/86/711716986.db2.gz ZUMIQWLWINMRLL-CHWSQXEVSA-N 0 3 249.354 2.618 10 10 BFCEHN COCC1CC([NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000713987566 712476584 /nfs/dbraw/zinc/47/65/84/712476584.db2.gz ZUONBMRVEBYEJG-HIFPTAJRSA-N 0 3 249.354 2.776 10 10 BFCEHN Nc1cccc2nc3ccccc3c(N)c12 ZINC000005422173 346218700 /nfs/dbraw/zinc/21/87/00/346218700.db2.gz NDNCMVVGTGZIMI-UHFFFAOYSA-N 0 3 209.252 2.552 10 10 BFCEHN Cc1cccc(C[N@@H+]2CCS[C@@H](C)C2)c1[O-] ZINC000180041348 179080091 /nfs/dbraw/zinc/08/00/91/179080091.db2.gz QBOTTYODLFPWMP-NSHDSACASA-N 0 3 237.368 2.638 10 10 BFCEHN Cc1cccc(C[N@H+]2CCS[C@@H](C)C2)c1[O-] ZINC000180041348 179080093 /nfs/dbraw/zinc/08/00/93/179080093.db2.gz QBOTTYODLFPWMP-NSHDSACASA-N 0 3 237.368 2.638 10 10 BFCEHN CC[NH+](CC)Cc1cc(N)c2ccccc2c1[O-] ZINC000196819958 348030391 /nfs/dbraw/zinc/03/03/91/348030391.db2.gz IMPSXANDTQSLMH-UHFFFAOYSA-N 0 3 244.338 2.969 10 10 BFCEHN CSc1cc(C(C)(C)C)cc(C[NH3+])c1[O-] ZINC000029221449 371734768 /nfs/dbraw/zinc/73/47/68/371734768.db2.gz ZENBEAYMYRZPNL-UHFFFAOYSA-N 0 3 225.357 2.870 10 10 BFCEHN CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(O)cc1[O-] ZINC000019902840 169370311 /nfs/dbraw/zinc/37/03/11/169370311.db2.gz IHLYEORHHDJLOW-ZJUUUORDSA-N 0 3 223.316 2.937 10 10 BFCEHN C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cc(F)ccc1[O-] ZINC000087111401 384738847 /nfs/dbraw/zinc/73/88/47/384738847.db2.gz DDVQUEUQGLOFDZ-VHSKPIJISA-N 0 3 209.264 2.590 10 10 BFCEHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)[C@H]1CCCO1 ZINC000295794903 388414217 /nfs/dbraw/zinc/41/42/17/388414217.db2.gz BUNBXFQHOVXTSM-VHRBIJSZSA-N 0 3 247.338 2.537 10 10 BFCEHN CC(C)[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226582391 167381741 /nfs/dbraw/zinc/38/17/41/167381741.db2.gz LEGXLAUHSHFZPG-SECBINFHSA-N 0 3 211.280 2.665 10 10 BFCEHN COc1ccc([C@H](C)[NH2+]CC2CCC2)c([O-])c1 ZINC000037179415 175187969 /nfs/dbraw/zinc/18/79/69/175187969.db2.gz MWGQUVOZSFIPDG-JTQLQIEISA-N 0 3 235.327 2.852 10 10 BFCEHN C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(O)cc1[O-] ZINC000019945221 176088854 /nfs/dbraw/zinc/08/88/54/176088854.db2.gz HMYOQRZLTJOFSP-ZWNOBZJWSA-N 0 3 235.327 2.766 10 10 BFCEHN COCCc1ccc([O-])c([C@@H]([NH3+])CC(C)C)c1 ZINC000757131654 582505570 /nfs/dbraw/zinc/50/55/70/582505570.db2.gz BVFGBMMAKRHIKO-ZDUSSCGKSA-N 0 3 237.343 2.627 10 10 BFCEHN CSC1CC([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000708276677 712185427 /nfs/dbraw/zinc/18/54/27/712185427.db2.gz XKMSFDYZRAHZFK-UHFFFAOYSA-N 0 3 241.331 2.515 10 10 BFCEHN CC[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1ccccc1[O-] ZINC000037165194 712549812 /nfs/dbraw/zinc/54/98/12/712549812.db2.gz RSWNZVBIXJSRSP-DYEKYZERSA-N 0 3 249.354 2.736 10 10 BFCEHN Cc1cccc(C[NH2+][C@@H](C)C(C)C)c1[O-] ZINC000162823737 179096666 /nfs/dbraw/zinc/09/66/66/179096666.db2.gz MDBWNQMRNKTGDC-NSHDSACASA-N 0 3 207.317 2.835 10 10 BFCEHN Nc1ccc(Cl)cc1[C@H]([NH3+])c1ccccc1[O-] ZINC000039367762 358223843 /nfs/dbraw/zinc/22/38/43/358223843.db2.gz HKCTYTQTVVTXBH-CYBMUJFWSA-N 0 3 248.713 2.676 10 10 BFCEHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2O)c([O-])c1 ZINC000249728295 386846213 /nfs/dbraw/zinc/84/62/13/386846213.db2.gz UYZJSJVUXLEGLI-FPMFFAJLSA-N 0 3 249.354 2.655 10 10 BFCEHN Cc1cc(Cl)cc([C@H]([NH3+])CCF)c1[O-] ZINC000575440002 387127598 /nfs/dbraw/zinc/12/75/98/387127598.db2.gz YVMSDFYJQUJBIS-SECBINFHSA-N 0 3 217.671 2.713 10 10 BFCEHN CC(C)[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226582396 388723369 /nfs/dbraw/zinc/72/33/69/388723369.db2.gz LEGXLAUHSHFZPG-VIFPVBQESA-N 0 3 211.280 2.665 10 10 BFCEHN COc1ccc(CN[C@H](C)c2ccco2)c(O)c1 ZINC000042372705 175111560 /nfs/dbraw/zinc/11/15/60/175111560.db2.gz VOSPJLOWIJWYSG-SNVBAGLBSA-N 0 3 247.294 2.845 10 10 BFCEHN COc1ccc([O-])c(C[NH2+]CC2CCCC2)c1 ZINC000037257531 175159328 /nfs/dbraw/zinc/15/93/28/175159328.db2.gz HEQURNOPIGMVKQ-UHFFFAOYSA-N 0 3 235.327 2.681 10 10 BFCEHN C[C@H](NCc1ccc(O)c(O)c1)c1ccccc1 ZINC000019878090 176875004 /nfs/dbraw/zinc/87/50/04/176875004.db2.gz ZWHSTHTWRNUHCO-NSHDSACASA-N 0 3 243.306 2.949 10 10 BFCEHN Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)c([O-])c1 ZINC000020208721 590086264 /nfs/dbraw/zinc/08/62/64/590086264.db2.gz YSNBEKJXEGUTRR-ZOWXZIJZSA-N 0 3 249.354 2.919 10 10 BFCEHN CCN1CCC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000040502175 633817018 /nfs/dbraw/zinc/81/70/18/633817018.db2.gz GAXWKJCTNBUXGN-STQMWFEESA-N 0 3 248.370 2.527 10 10 BFCEHN C[C@H]([NH2+]Cc1ccccc1[O-])[C@@H]1C[C@H]1C ZINC000322068447 636793878 /nfs/dbraw/zinc/79/38/78/636793878.db2.gz SCFIAYOKWWRGIP-JFGNBEQYSA-N 0 3 205.301 2.526 10 10 BFCEHN Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C)c([O-])c1 ZINC000249871105 644743747 /nfs/dbraw/zinc/74/37/47/644743747.db2.gz JWEHRDPNRSPEHB-JFGNBEQYSA-N 0 3 205.301 2.760 10 10 BFCEHN CCOc1cccc(C[NH2+][C@H](C)C(C)C)c1[O-] ZINC000020523218 342989625 /nfs/dbraw/zinc/98/96/25/342989625.db2.gz IQLFTVZYPLJGFJ-LLVKDONJSA-N 0 3 237.343 2.925 10 10 BFCEHN Cc1ccccc1C[NH2+]Cc1ccc(O)cc1[O-] ZINC000037718857 179282082 /nfs/dbraw/zinc/28/20/82/179282082.db2.gz TUGLHBMSKXHLGH-UHFFFAOYSA-N 0 3 243.306 2.696 10 10 BFCEHN C=COCCC[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000035628938 188111872 /nfs/dbraw/zinc/11/18/72/188111872.db2.gz JJJPBAMPYBUBQL-LBPRGKRZSA-N 0 3 235.327 2.901 10 10 BFCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCCO[C@@H](C)C1 ZINC000217863205 134250753 /nfs/dbraw/zinc/25/07/53/134250753.db2.gz ZPXYMBQJHNFFEH-GXTWGEPZSA-N 0 3 249.354 2.954 10 10 BFCEHN CC[C@H](c1ccccc1[O-])[N@H+]1CCCO[C@@H](C)C1 ZINC000217863205 134250754 /nfs/dbraw/zinc/25/07/54/134250754.db2.gz ZPXYMBQJHNFFEH-GXTWGEPZSA-N 0 3 249.354 2.954 10 10 BFCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)c1 ZINC000035628968 383866452 /nfs/dbraw/zinc/86/64/52/383866452.db2.gz FFRVRWRVIAHEOR-ZOWXZIJZSA-N 0 3 249.354 2.919 10 10 BFCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C)c1 ZINC000134237956 384340337 /nfs/dbraw/zinc/34/03/37/384340337.db2.gz VZTGJYWLBIFCSJ-DMDPSCGWSA-N 0 3 235.327 2.529 10 10 BFCEHN C[C@H]([NH2+][C@H]1C[C@H]1C)c1cc(F)ccc1[O-] ZINC000087111399 384739783 /nfs/dbraw/zinc/73/97/83/384739783.db2.gz DDVQUEUQGLOFDZ-FYBVGQRMSA-N 0 3 209.264 2.590 10 10 BFCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2C[C@H]2C)c1 ZINC000249925763 384909696 /nfs/dbraw/zinc/90/96/96/384909696.db2.gz ZVWYNTPCMRXARP-JFGNBEQYSA-N 0 3 205.301 2.760 10 10 BFCEHN CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(C)ccc1[O-] ZINC000165065600 385063294 /nfs/dbraw/zinc/06/32/94/385063294.db2.gz DSKVZJRZYXRDSY-DGCLKSJQSA-N 0 3 219.328 2.979 10 10 BFCEHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000211637363 387586026 /nfs/dbraw/zinc/58/60/26/387586026.db2.gz HIWBLMCFHPJBIE-MBNYWOFBSA-N 0 3 247.338 2.707 10 10 BFCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000211637363 387586028 /nfs/dbraw/zinc/58/60/28/387586028.db2.gz HIWBLMCFHPJBIE-MBNYWOFBSA-N 0 3 247.338 2.707 10 10 BFCEHN Cc1cc(Cl)cc([C@H]2CCC[NH2+]2)c1[O-] ZINC000238536964 387871980 /nfs/dbraw/zinc/87/19/80/387871980.db2.gz RJHKBRLFRDXJDB-SNVBAGLBSA-N 0 3 211.692 2.779 10 10 BFCEHN CC(C)[C@@H](C)[NH2+][C@H](C)c1cc(O)ccc1[O-] ZINC000020523076 167385534 /nfs/dbraw/zinc/38/55/34/167385534.db2.gz UZAJQTYXNLNOIP-NXEZZACHSA-N 0 3 223.316 2.793 10 10 BFCEHN CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(O)cc1[O-] ZINC000020523186 167385656 /nfs/dbraw/zinc/38/56/56/167385656.db2.gz PRXBRBPKBNIMON-NXEZZACHSA-N 0 3 223.316 2.793 10 10 BFCEHN CC[C@H](C)[NH2+][C@@H](C)c1ccc(O)cc1[O-] ZINC000019882243 171346064 /nfs/dbraw/zinc/34/60/64/171346064.db2.gz UDXBCMQFUWNKGO-IUCAKERBSA-N 0 3 209.289 2.547 10 10 BFCEHN COc1ccc([C@H](C)[NH2+]C2CCC2)c([O-])c1 ZINC000052207561 175188173 /nfs/dbraw/zinc/18/81/73/175188173.db2.gz RLUPZRDPNQRTDK-VIFPVBQESA-N 0 3 221.300 2.604 10 10 BFCEHN C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(O)c1[O-] ZINC000041116401 176088540 /nfs/dbraw/zinc/08/85/40/176088540.db2.gz DCMINFRCJKWJJU-ZYHUDNBSSA-N 0 3 235.327 2.766 10 10 BFCEHN C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(O)cc1[O-] ZINC000019945218 177083826 /nfs/dbraw/zinc/08/38/26/177083826.db2.gz HMYOQRZLTJOFSP-GWCFXTLKSA-N 0 3 235.327 2.766 10 10 BFCEHN CCC[C@@H]([NH3+])c1cc(Cl)cc(OC)c1[O-] ZINC000757145848 582528486 /nfs/dbraw/zinc/52/84/86/582528486.db2.gz QCSHYAAAPWTBTB-SECBINFHSA-N 0 3 229.707 2.854 10 10 BFCEHN CC[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccccc1[O-] ZINC000217640288 583172622 /nfs/dbraw/zinc/17/26/22/583172622.db2.gz RSWNZVBIXJSRSP-BZPMIXESSA-N 0 3 249.354 2.736 10 10 BFCEHN C[C@@H]([NH2+]Cc1ccccc1[O-])[C@@H]1C[C@H]1C ZINC000322068445 636793994 /nfs/dbraw/zinc/79/39/94/636793994.db2.gz SCFIAYOKWWRGIP-CKYFFXLPSA-N 0 3 205.301 2.526 10 10 BFCEHN CC[C@H]([NH2+][C@H]1C[C@H]1C)c1ccccc1[O-] ZINC000249897304 644743340 /nfs/dbraw/zinc/74/33/40/644743340.db2.gz SBQUBICOFVAQLX-USWWRNFRSA-N 0 3 205.301 2.841 10 10 BFCEHN